NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
633508 |
6ak0   |
cing | 4-filtered-FRED | STAR | entry | full | 222 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6ak0
# This FRED archive file contains, for PDB entry <6ak0>:
#
# - 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_6ak0
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6ak0
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 2101.47
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 $CYS_LEU_GLY_VAL_GLY_SER_CYS_VAL_ASP_PHE_ALA_GLY_CYS_GLY_TYR_ALA_V A . 1 1
stop_
save_
save_CYS_LEU_GLY_VAL_GLY_SER_CYS_VAL_ASP_PHE_ALA_GLY_CYS_GLY_TYR_ALA_V
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "CYS LEU GLY VAL GLY SER CYS VAL ASP PHE ALA GLY CYS GLY TYR ALA V"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code CLGVGSCVDFAGCGYAVVCFX
_Entity.Number_of_monomers 21
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 CYS . 1 1
2 LEU . 1 1
3 GLY . 1 1
4 VAL . 1 1
5 GLY . 1 1
6 SER . 1 1
7 CYS . 1 1
8 VAL . 1 1
9 ASP . 1 1
10 PHE . 1 1
11 ALA . 1 1
12 GLY . 1 1
13 CYS . 1 1
14 GLY . 1 1
15 TYR . 1 1
16 ALA . 1 1
17 VAL . 1 1
18 VAL . 1 1
19 CYS . 1 1
20 PHE . 1 1
21 DTR $DTR 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
CYS 1 1 1 1
LEU 2 2 1 1
GLY 3 3 1 1
VAL 4 4 1 1
GLY 5 5 1 1
SER 6 6 1 1
CYS 7 7 1 1
VAL 8 8 1 1
ASP 9 9 1 1
PHE 10 10 1 1
ALA 11 11 1 1
GLY 12 12 1 1
CYS 13 13 1 1
GLY 14 14 1 1
TYR 15 15 1 1
ALA 16 16 1 1
VAL 17 17 1 1
VAL 18 18 1 1
CYS 19 19 1 1
PHE 20 20 1 1
DTR 21 21 1 1
stop_
save_
save_DTR
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID DTR
_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
206 1 . . . 1 1
207 1 . . . 1 1
208 1 . . . 1 1
209 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 CYS HA . 1 . HA 1 1
1 1 2 1 1 2 LEU H . 2 . HN 1 1
2 1 1 1 1 1 CYS HA . 1 . HA 1 1
2 1 2 1 1 14 GLY H . 14 . HN 1 1
3 1 1 1 1 1 CYS HA . 1 . HA 1 1
3 1 2 1 1 14 GLY QA . 14 . HA# 1 1
4 1 1 1 1 1 CYS HA . 1 . HA 1 1
4 1 2 1 1 15 TYR H . 15 . HN 1 1
5 1 1 1 1 1 CYS HA . 1 . HA 1 1
5 1 2 1 1 15 TYR QB . 15 . HB# 1 1
6 1 1 1 1 1 CYS QB . 1 . HB# 1 1
6 1 2 1 1 13 CYS H . 13 . HN 1 1
7 1 1 1 1 2 LEU H . 2 . HN 1 1
7 1 2 1 1 2 LEU QB . 2 . HB# 1 1
8 1 1 1 1 2 LEU H . 2 . HN 1 1
8 1 2 1 1 2 LEU QD . 2 . HD# 1 1
9 1 1 1 1 2 LEU H . 2 . HN 1 1
9 1 2 1 1 2 LEU HG . 2 . HG 1 1
10 1 1 1 1 2 LEU H . 2 . HN 1 1
10 1 2 1 1 3 GLY H . 3 . HN 1 1
11 1 1 1 1 2 LEU H . 2 . HN 1 1
11 1 2 1 1 4 VAL H . 4 . HN 1 1
12 1 1 1 1 2 LEU H . 2 . HN 1 1
12 1 2 1 1 9 ASP H . 9 . HN 1 1
13 1 1 1 1 2 LEU H . 2 . HN 1 1
13 1 2 1 1 9 ASP QB . 9 . HB# 1 1
14 1 1 1 1 2 LEU H . 2 . HN 1 1
14 1 2 1 1 14 GLY H . 14 . HN 1 1
15 1 1 1 1 2 LEU H . 2 . HN 1 1
15 1 2 1 1 15 TYR H . 15 . HN 1 1
16 1 1 1 1 2 LEU H . 2 . HN 1 1
16 1 2 1 1 15 TYR QB . 15 . HB# 1 1
17 1 1 1 1 2 LEU H . 2 . HN 1 1
17 1 2 1 1 15 TYR QD . 15 . HD# 1 1
18 1 1 1 1 2 LEU H . 2 . HN 1 1
18 1 2 1 1 16 ALA MB . 16 . HB# 1 1
19 1 1 1 1 2 LEU HA . 2 . HA 1 1
19 1 2 1 1 3 GLY H . 3 . HN 1 1
20 1 1 1 1 2 LEU HA . 2 . HA 1 1
20 1 2 1 1 4 VAL H . 4 . HN 1 1
21 1 1 1 1 2 LEU QB . 2 . HB# 1 1
21 1 2 1 1 3 GLY H . 3 . HN 1 1
22 1 1 1 1 2 LEU QB . 2 . HB# 1 1
22 1 2 1 1 4 VAL H . 4 . HN 1 1
23 1 1 1 1 2 LEU QB . 2 . HB# 1 1
23 1 2 1 1 4 VAL QG . 4 . HG# 1 1
24 1 1 1 1 2 LEU QB . 2 . HB# 1 1
24 1 2 1 1 15 TYR H . 15 . HN 1 1
25 1 1 1 1 2 LEU QB . 2 . HB# 1 1
25 1 2 1 1 15 TYR QB . 15 . HB# 1 1
26 1 1 1 1 2 LEU QB . 2 . HB# 1 1
26 1 2 1 1 16 ALA HA . 16 . HA 1 1
27 1 1 1 1 2 LEU QB . 2 . HB# 1 1
27 1 2 1 1 17 VAL H . 17 . HN 1 1
28 1 1 1 1 2 LEU QB . 2 . HB# 1 1
28 1 2 1 1 17 VAL QG . 17 . HG# 1 1
29 1 1 1 1 2 LEU QD . 2 . HD# 1 1
29 1 2 1 1 3 GLY H . 3 . HN 1 1
30 1 1 1 1 2 LEU QD . 2 . HD# 1 1
30 1 2 1 1 4 VAL H . 4 . HN 1 1
31 1 1 1 1 2 LEU QD . 2 . HD# 1 1
31 1 2 1 1 4 VAL QG . 4 . HG# 1 1
32 1 1 1 1 2 LEU QD . 2 . HD# 1 1
32 1 2 1 1 16 ALA H . 16 . HN 1 1
33 1 1 1 1 2 LEU QD . 2 . HD# 1 1
33 1 2 1 1 16 ALA HA . 16 . HA 1 1
34 1 1 1 1 2 LEU QD . 2 . HD# 1 1
34 1 2 1 1 17 VAL H . 17 . HN 1 1
35 1 1 1 1 2 LEU QD . 2 . HD# 1 1
35 1 2 1 1 17 VAL QG . 17 . HG# 1 1
36 1 1 1 1 2 LEU QD . 2 . HD# 1 1
36 1 2 1 1 18 VAL H . 18 . HN 1 1
37 1 1 1 1 2 LEU HG . 2 . HG 1 1
37 1 2 1 1 3 GLY H . 3 . HN 1 1
38 1 1 1 1 2 LEU HG . 2 . HG 1 1
38 1 2 1 1 4 VAL H . 4 . HN 1 1
39 1 1 1 1 2 LEU HG . 2 . HG 1 1
39 1 2 1 1 15 TYR H . 15 . HN 1 1
40 1 1 1 1 2 LEU HG . 2 . HG 1 1
40 1 2 1 1 16 ALA HA . 16 . HA 1 1
41 1 1 1 1 2 LEU HG . 2 . HG 1 1
41 1 2 1 1 17 VAL H . 17 . HN 1 1
42 1 1 1 1 3 GLY H . 3 . HN 1 1
42 1 2 1 1 4 VAL H . 4 . HN 1 1
43 1 1 1 1 3 GLY H . 3 . HN 1 1
43 1 2 1 1 4 VAL QG . 4 . HG# 1 1
44 1 1 1 1 3 GLY H . 3 . HN 1 1
44 1 2 1 1 15 TYR QB . 15 . HB# 1 1
45 1 1 1 1 3 GLY H . 3 . HN 1 1
45 1 2 1 1 15 TYR QD . 15 . HD# 1 1
46 1 1 1 1 3 GLY QA . 3 . HA# 1 1
46 1 2 1 1 4 VAL H . 4 . HN 1 1
47 1 1 1 1 3 GLY QA . 3 . HA# 1 1
47 1 2 1 1 15 TYR QD . 15 . HD# 1 1
48 1 1 1 1 3 GLY QA . 3 . HA# 1 1
48 1 2 1 1 15 TYR QE . 15 . HE# 1 1
49 1 1 1 1 4 VAL H . 4 . HN 1 1
49 1 2 1 1 4 VAL HB . 4 . HB 1 1
50 1 1 1 1 4 VAL H . 4 . HN 1 1
50 1 2 1 1 4 VAL QG . 4 . HG# 1 1
51 1 1 1 1 4 VAL H . 4 . HN 1 1
51 1 2 1 1 5 GLY H . 5 . HN 1 1
52 1 1 1 1 4 VAL H . 4 . HN 1 1
52 1 2 1 1 15 TYR QB . 15 . HB# 1 1
53 1 1 1 1 4 VAL H . 4 . HN 1 1
53 1 2 1 1 15 TYR QD . 15 . HD# 1 1
54 1 1 1 1 4 VAL H . 4 . HN 1 1
54 1 2 1 1 15 TYR QE . 15 . HE# 1 1
55 1 1 1 1 4 VAL HA . 4 . HA 1 1
55 1 2 1 1 5 GLY H . 5 . HN 1 1
56 1 1 1 1 4 VAL HB . 4 . HB 1 1
56 1 2 1 1 5 GLY H . 5 . HN 1 1
57 1 1 1 1 4 VAL QG . 4 . HG# 1 1
57 1 2 1 1 5 GLY H . 5 . HN 1 1
58 1 1 1 1 4 VAL QG . 4 . HG# 1 1
58 1 2 1 1 15 TYR QD . 15 . HD# 1 1
59 1 1 1 1 5 GLY H . 5 . HN 1 1
59 1 2 1 1 6 SER H . 6 . HN 1 1
60 1 1 1 1 5 GLY H . 5 . HN 1 1
60 1 2 1 1 15 TYR QB . 15 . HB# 1 1
61 1 1 1 1 5 GLY H . 5 . HN 1 1
61 1 2 1 1 15 TYR QD . 15 . HD# 1 1
62 1 1 1 1 5 GLY H . 5 . HN 1 1
62 1 2 1 1 17 VAL QG . 17 . HG# 1 1
63 1 1 1 1 5 GLY QA . 5 . HA# 1 1
63 1 2 1 1 6 SER H . 6 . HN 1 1
64 1 1 1 1 5 GLY QA . 5 . HA# 1 1
64 1 2 1 1 7 CYS H . 7 . HN 1 1
65 1 1 1 1 5 GLY QA . 5 . HA# 1 1
65 1 2 1 1 15 TYR QB . 15 . HB# 1 1
66 1 1 1 1 5 GLY QA . 5 . HA# 1 1
66 1 2 1 1 15 TYR QD . 15 . HD# 1 1
67 1 1 1 1 5 GLY QA . 5 . HA# 1 1
67 1 2 1 1 15 TYR QE . 15 . HE# 1 1
68 1 1 1 1 5 GLY QA . 5 . HA# 1 1
68 1 2 1 1 16 ALA H . 16 . HN 1 1
69 1 1 1 1 6 SER H . 6 . HN 1 1
69 1 2 1 1 6 SER QB . 6 . HB# 1 1
70 1 1 1 1 6 SER H . 6 . HN 1 1
70 1 2 1 1 7 CYS H . 7 . HN 1 1
71 1 1 1 1 6 SER H . 6 . HN 1 1
71 1 2 1 1 17 VAL HA . 17 . HA 1 1
72 1 1 1 1 6 SER H . 6 . HN 1 1
72 1 2 1 1 17 VAL QG . 17 . HG# 1 1
73 1 1 1 1 6 SER HA . 6 . HA 1 1
73 1 2 1 1 7 CYS H . 7 . HN 1 1
74 1 1 1 1 6 SER QB . 6 . HB# 1 1
74 1 2 1 1 7 CYS H . 7 . HN 1 1
75 1 1 1 1 7 CYS H . 7 . HN 1 1
75 1 2 1 1 7 CYS QB . 7 . HB# 1 1
76 1 1 1 1 7 CYS H . 7 . HN 1 1
76 1 2 1 1 8 VAL H . 8 . HN 1 1
77 1 1 1 1 7 CYS H . 7 . HN 1 1
77 1 2 1 1 8 VAL QG . 8 . HG# 1 1
78 1 1 1 1 7 CYS H . 7 . HN 1 1
78 1 2 1 1 15 TYR HA . 15 . HA 1 1
79 1 1 1 1 7 CYS H . 7 . HN 1 1
79 1 2 1 1 15 TYR QB . 15 . HB# 1 1
80 1 1 1 1 7 CYS H . 7 . HN 1 1
80 1 2 1 1 15 TYR QD . 15 . HD# 1 1
81 1 1 1 1 7 CYS H . 7 . HN 1 1
81 1 2 1 1 16 ALA H . 16 . HN 1 1
82 1 1 1 1 7 CYS H . 7 . HN 1 1
82 1 2 1 1 16 ALA HA . 16 . HA 1 1
83 1 1 1 1 7 CYS H . 7 . HN 1 1
83 1 2 1 1 17 VAL HA . 17 . HA 1 1
84 1 1 1 1 7 CYS HA . 7 . HA 1 1
84 1 2 1 1 8 VAL H . 8 . HN 1 1
85 1 1 1 1 7 CYS HA . 7 . HA 1 1
85 1 2 1 1 8 VAL HA . 8 . HA 1 1
86 1 1 1 1 7 CYS HA . 7 . HA 1 1
86 1 2 1 1 8 VAL HB . 8 . HB 1 1
87 1 1 1 1 7 CYS HA . 7 . HA 1 1
87 1 2 1 1 8 VAL QG . 8 . HG# 1 1
88 1 1 1 1 7 CYS HA . 7 . HA 1 1
88 1 2 1 1 15 TYR QD . 15 . HD# 1 1
89 1 1 1 1 7 CYS HA . 7 . HA 1 1
89 1 2 1 1 16 ALA H . 16 . HN 1 1
90 1 1 1 1 7 CYS HA . 7 . HA 1 1
90 1 2 1 1 16 ALA MB . 16 . HB# 1 1
91 1 1 1 1 7 CYS QB . 7 . HB# 1 1
91 1 2 1 1 8 VAL H . 8 . HN 1 1
92 1 1 1 1 7 CYS QB . 7 . HB# 1 1
92 1 2 1 1 16 ALA H . 16 . HN 1 1
93 1 1 1 1 7 CYS QB . 7 . HB# 1 1
93 1 2 1 1 16 ALA MB . 16 . HB# 1 1
94 1 1 1 1 7 CYS QB . 7 . HB# 1 1
94 1 2 1 1 19 CYS H . 19 . HN 1 1
95 1 1 1 1 7 CYS QB . 7 . HB# 1 1
95 1 2 1 1 19 CYS QB . 19 . HB# 1 1
96 1 1 1 1 8 VAL H . 8 . HN 1 1
96 1 2 1 1 8 VAL HB . 8 . HB 1 1
97 1 1 1 1 8 VAL H . 8 . HN 1 1
97 1 2 1 1 8 VAL QG . 8 . HG# 1 1
98 1 1 1 1 8 VAL H . 8 . HN 1 1
98 1 2 1 1 9 ASP H . 9 . HN 1 1
99 1 1 1 1 8 VAL H . 8 . HN 1 1
99 1 2 1 1 15 TYR HA . 15 . HA 1 1
100 1 1 1 1 8 VAL H . 8 . HN 1 1
100 1 2 1 1 15 TYR QD . 15 . HD# 1 1
101 1 1 1 1 8 VAL H . 8 . HN 1 1
101 1 2 1 1 16 ALA MB . 16 . HB# 1 1
102 1 1 1 1 8 VAL H . 8 . HN 1 1
102 1 2 1 1 19 CYS QB . 19 . HB# 1 1
103 1 1 1 1 8 VAL HA . 8 . HA 1 1
103 1 2 1 1 9 ASP H . 9 . HN 1 1
104 1 1 1 1 8 VAL HA . 8 . HA 1 1
104 1 2 1 1 9 ASP QB . 9 . HB# 1 1
105 1 1 1 1 8 VAL HA . 8 . HA 1 1
105 1 2 1 1 15 TYR H . 15 . HN 1 1
106 1 1 1 1 8 VAL HA . 8 . HA 1 1
106 1 2 1 1 15 TYR HA . 15 . HA 1 1
107 1 1 1 1 8 VAL HA . 8 . HA 1 1
107 1 2 1 1 16 ALA H . 16 . HN 1 1
108 1 1 1 1 8 VAL HA . 8 . HA 1 1
108 1 2 1 1 16 ALA MB . 16 . HB# 1 1
109 1 1 1 1 8 VAL HA . 8 . HA 1 1
109 1 2 1 1 17 VAL H . 17 . HN 1 1
110 1 1 1 1 8 VAL HB . 8 . HB 1 1
110 1 2 1 1 9 ASP H . 9 . HN 1 1
111 1 1 1 1 8 VAL HB . 8 . HB 1 1
111 1 2 1 1 15 TYR HA . 15 . HA 1 1
112 1 1 1 1 8 VAL QG . 8 . HG# 1 1
112 1 2 1 1 9 ASP H . 9 . HN 1 1
113 1 1 1 1 8 VAL QG . 8 . HG# 1 1
113 1 2 1 1 9 ASP HA . 9 . HA 1 1
114 1 1 1 1 8 VAL QG . 8 . HG# 1 1
114 1 2 1 1 10 PHE HA . 10 . HA 1 1
115 1 1 1 1 8 VAL QG . 8 . HG# 1 1
115 1 2 1 1 11 ALA H . 11 . HN 1 1
116 1 1 1 1 8 VAL QG . 8 . HG# 1 1
116 1 2 1 1 12 GLY H . 12 . HN 1 1
117 1 1 1 1 8 VAL QG . 8 . HG# 1 1
117 1 2 1 1 13 CYS H . 13 . HN 1 1
118 1 1 1 1 8 VAL QG . 8 . HG# 1 1
118 1 2 1 1 15 TYR HA . 15 . HA 1 1
119 1 1 1 1 8 VAL QG . 8 . HG# 1 1
119 1 2 1 1 15 TYR QD . 15 . HD# 1 1
120 1 1 1 1 8 VAL QG . 8 . HG# 1 1
120 1 2 1 1 15 TYR QE . 15 . HE# 1 1
121 1 1 1 1 8 VAL QG . 8 . HG# 1 1
121 1 2 1 1 16 ALA H . 16 . HN 1 1
122 1 1 1 1 9 ASP H . 9 . HN 1 1
122 1 2 1 1 9 ASP QB . 9 . HB# 1 1
123 1 1 1 1 9 ASP H . 9 . HN 1 1
123 1 2 1 1 10 PHE H . 10 . HN 1 1
124 1 1 1 1 9 ASP H . 9 . HN 1 1
124 1 2 1 1 14 GLY H . 14 . HN 1 1
125 1 1 1 1 9 ASP H . 9 . HN 1 1
125 1 2 1 1 15 TYR HA . 15 . HA 1 1
126 1 1 1 1 9 ASP H . 9 . HN 1 1
126 1 2 1 1 15 TYR QB . 15 . HB# 1 1
127 1 1 1 1 9 ASP H . 9 . HN 1 1
127 1 2 1 1 16 ALA H . 16 . HN 1 1
128 1 1 1 1 9 ASP H . 9 . HN 1 1
128 1 2 1 1 16 ALA HA . 16 . HA 1 1
129 1 1 1 1 9 ASP HA . 9 . HA 1 1
129 1 2 1 1 10 PHE H . 10 . HN 1 1
130 1 1 1 1 9 ASP HA . 9 . HA 1 1
130 1 2 1 1 16 ALA MB . 16 . HB# 1 1
131 1 1 1 1 9 ASP QB . 9 . HB# 1 1
131 1 2 1 1 11 ALA MB . 11 . HB# 1 1
132 1 1 1 1 10 PHE H . 10 . HN 1 1
132 1 2 1 1 10 PHE QB . 10 . HB# 1 1
133 1 1 1 1 10 PHE H . 10 . HN 1 1
133 1 2 1 1 11 ALA H . 11 . HN 1 1
134 1 1 1 1 10 PHE H . 10 . HN 1 1
134 1 2 1 1 14 GLY H . 14 . HN 1 1
135 1 1 1 1 10 PHE H . 10 . HN 1 1
135 1 2 1 1 15 TYR QB . 15 . HB# 1 1
136 1 1 1 1 10 PHE HA . 10 . HA 1 1
136 1 2 1 1 11 ALA H . 11 . HN 1 1
137 1 1 1 1 10 PHE HA . 10 . HA 1 1
137 1 2 1 1 11 ALA HA . 11 . HA 1 1
138 1 1 1 1 10 PHE HA . 10 . HA 1 1
138 1 2 1 1 11 ALA MB . 11 . HB# 1 1
139 1 1 1 1 10 PHE QB . 10 . HB# 1 1
139 1 2 1 1 11 ALA H . 11 . HN 1 1
140 1 1 1 1 10 PHE QB . 10 . HB# 1 1
140 1 2 1 1 13 CYS H . 13 . HN 1 1
141 1 1 1 1 10 PHE QD . 10 . HD# 1 1
141 1 2 1 1 11 ALA H . 11 . HN 1 1
142 1 1 1 1 10 PHE QD . 10 . HD# 1 1
142 1 2 1 1 12 GLY H . 12 . HN 1 1
143 1 1 1 1 11 ALA H . 11 . HN 1 1
143 1 2 1 1 11 ALA MB . 11 . HB# 1 1
144 1 1 1 1 11 ALA H . 11 . HN 1 1
144 1 2 1 1 13 CYS H . 13 . HN 1 1
145 1 1 1 1 11 ALA H . 11 . HN 1 1
145 1 2 1 1 14 GLY H . 14 . HN 1 1
146 1 1 1 1 11 ALA HA . 11 . HA 1 1
146 1 2 1 1 12 GLY H . 12 . HN 1 1
147 1 1 1 1 11 ALA HA . 11 . HA 1 1
147 1 2 1 1 13 CYS H . 13 . HN 1 1
148 1 1 1 1 11 ALA MB . 11 . HB# 1 1
148 1 2 1 1 12 GLY H . 12 . HN 1 1
149 1 1 1 1 11 ALA MB . 11 . HB# 1 1
149 1 2 1 1 13 CYS H . 13 . HN 1 1
150 1 1 1 1 11 ALA MB . 11 . HB# 1 1
150 1 2 1 1 14 GLY H . 14 . HN 1 1
151 1 1 1 1 12 GLY H . 12 . HN 1 1
151 1 2 1 1 13 CYS H . 13 . HN 1 1
152 1 1 1 1 12 GLY QA . 12 . HA# 1 1
152 1 2 1 1 13 CYS H . 13 . HN 1 1
153 1 1 1 1 13 CYS H . 13 . HN 1 1
153 1 2 1 1 13 CYS QB . 13 . HB# 1 1
154 1 1 1 1 13 CYS H . 13 . HN 1 1
154 1 2 1 1 14 GLY H . 14 . HN 1 1
155 1 1 1 1 13 CYS HA . 13 . HA 1 1
155 1 2 1 1 14 GLY H . 14 . HN 1 1
156 1 1 1 1 13 CYS QB . 13 . HB# 1 1
156 1 2 1 1 14 GLY H . 14 . HN 1 1
157 1 1 1 1 14 GLY H . 14 . HN 1 1
157 1 2 1 1 15 TYR H . 15 . HN 1 1
158 1 1 1 1 14 GLY QA . 14 . HA# 1 1
158 1 2 1 1 15 TYR H . 15 . HN 1 1
159 1 1 1 1 14 GLY QA . 14 . HA# 1 1
159 1 2 1 1 15 TYR HA . 15 . HA 1 1
160 1 1 1 1 14 GLY QA . 14 . HA# 1 1
160 1 2 1 1 15 TYR QD . 15 . HD# 1 1
161 1 1 1 1 14 GLY QA . 14 . HA# 1 1
161 1 2 1 1 15 TYR QE . 15 . HE# 1 1
162 1 1 1 1 15 TYR H . 15 . HN 1 1
162 1 2 1 1 15 TYR QB . 15 . HB# 1 1
163 1 1 1 1 15 TYR H . 15 . HN 1 1
163 1 2 1 1 15 TYR QD . 15 . HD# 1 1
164 1 1 1 1 15 TYR H . 15 . HN 1 1
164 1 2 1 1 16 ALA H . 16 . HN 1 1
165 1 1 1 1 15 TYR HA . 15 . HA 1 1
165 1 2 1 1 16 ALA H . 16 . HN 1 1
166 1 1 1 1 15 TYR HA . 15 . HA 1 1
166 1 2 1 1 16 ALA MB . 16 . HB# 1 1
167 1 1 1 1 15 TYR QB . 15 . HB# 1 1
167 1 2 1 1 16 ALA H . 16 . HN 1 1
168 1 1 1 1 15 TYR QB . 15 . HB# 1 1
168 1 2 1 1 16 ALA HA . 16 . HA 1 1
169 1 1 1 1 15 TYR QD . 15 . HD# 1 1
169 1 2 1 1 16 ALA H . 16 . HN 1 1
170 1 1 1 1 16 ALA H . 16 . HN 1 1
170 1 2 1 1 16 ALA MB . 16 . HB# 1 1
171 1 1 1 1 16 ALA H . 16 . HN 1 1
171 1 2 1 1 17 VAL H . 17 . HN 1 1
172 1 1 1 1 16 ALA HA . 16 . HA 1 1
172 1 2 1 1 17 VAL H . 17 . HN 1 1
173 1 1 1 1 16 ALA HA . 16 . HA 1 1
173 1 2 1 1 17 VAL QG . 17 . HG# 1 1
174 1 1 1 1 16 ALA HA . 16 . HA 1 1
174 1 2 1 1 18 VAL H . 18 . HN 1 1
175 1 1 1 1 16 ALA MB . 16 . HB# 1 1
175 1 2 1 1 17 VAL H . 17 . HN 1 1
176 1 1 1 1 16 ALA MB . 16 . HB# 1 1
176 1 2 1 1 18 VAL HB . 18 . HB 1 1
177 1 1 1 1 17 VAL H . 17 . HN 1 1
177 1 2 1 1 17 VAL HB . 17 . HB 1 1
178 1 1 1 1 17 VAL H . 17 . HN 1 1
178 1 2 1 1 17 VAL QG . 17 . HG# 1 1
179 1 1 1 1 17 VAL H . 17 . HN 1 1
179 1 2 1 1 18 VAL H . 18 . HN 1 1
180 1 1 1 1 17 VAL H . 17 . HN 1 1
180 1 2 1 1 18 VAL HA . 18 . HA 1 1
181 1 1 1 1 17 VAL H . 17 . HN 1 1
181 1 2 1 1 18 VAL HB . 18 . HB 1 1
182 1 1 1 1 17 VAL HA . 17 . HA 1 1
182 1 2 1 1 18 VAL H . 18 . HN 1 1
183 1 1 1 1 17 VAL HB . 17 . HB 1 1
183 1 2 1 1 18 VAL H . 18 . HN 1 1
184 1 1 1 1 17 VAL HB . 17 . HB 1 1
184 1 2 1 1 18 VAL HB . 18 . HB 1 1
185 1 1 1 1 18 VAL H . 18 . HN 1 1
185 1 2 1 1 18 VAL HB . 18 . HB 1 1
186 1 1 1 1 18 VAL H . 18 . HN 1 1
186 1 2 1 1 18 VAL QG . 18 . HG# 1 1
187 1 1 1 1 18 VAL H . 18 . HN 1 1
187 1 2 1 1 19 CYS H . 19 . HN 1 1
188 1 1 1 1 18 VAL HA . 18 . HA 1 1
188 1 2 1 1 19 CYS H . 19 . HN 1 1
189 1 1 1 1 18 VAL HA . 18 . HA 1 1
189 1 2 1 1 19 CYS HA . 19 . HA 1 1
190 1 1 1 1 18 VAL HA . 18 . HA 1 1
190 1 2 1 1 19 CYS QB . 19 . HB# 1 1
191 1 1 1 1 18 VAL HA . 18 . HA 1 1
191 1 2 1 1 20 PHE H . 20 . HN 1 1
192 1 1 1 1 18 VAL HB . 18 . HB 1 1
192 1 2 1 1 19 CYS H . 19 . HN 1 1
193 1 1 1 1 18 VAL HB . 18 . HB 1 1
193 1 2 1 1 20 PHE H . 20 . HN 1 1
194 1 1 1 1 18 VAL QG . 18 . HG# 1 1
194 1 2 1 1 19 CYS H . 19 . HN 1 1
195 1 1 1 1 18 VAL QG . 18 . HG# 1 1
195 1 2 1 1 20 PHE H . 20 . HN 1 1
196 1 1 1 1 18 VAL QG . 18 . HG# 1 1
196 1 2 1 1 20 PHE QD . 20 . HD# 1 1
197 1 1 1 1 18 VAL QG . 18 . HG# 1 1
197 1 2 1 1 20 PHE QE . 20 . HE# 1 1
198 1 1 1 1 19 CYS H . 19 . HN 1 1
198 1 2 1 1 19 CYS QB . 19 . HB# 1 1
199 1 1 1 1 19 CYS H . 19 . HN 1 1
199 1 2 1 1 20 PHE H . 20 . HN 1 1
200 1 1 1 1 19 CYS H . 19 . HN 1 1
200 1 2 1 1 20 PHE QD . 20 . HD# 1 1
201 1 1 1 1 19 CYS H . 19 . HN 1 1
201 1 2 1 1 21 DTR HA . 21 . HA 1 1
202 1 1 1 1 19 CYS HA . 19 . HA 1 1
202 1 2 1 1 20 PHE H . 20 . HN 1 1
203 1 1 1 1 19 CYS QB . 19 . HB# 1 1
203 1 2 1 1 20 PHE H . 20 . HN 1 1
204 1 1 1 1 20 PHE H . 20 . HN 1 1
204 1 2 1 1 20 PHE QB . 20 . HB# 1 1
205 1 1 1 1 20 PHE H . 20 . HN 1 1
205 1 2 1 1 20 PHE QD . 20 . HD# 1 1
206 1 1 1 1 20 PHE H . 20 . HN 1 1
206 1 2 1 1 21 DTR HA . 21 . HA 1 1
207 1 1 1 1 20 PHE QB . 20 . HB# 1 1
207 1 2 1 1 21 DTR HD1 . 21 . HD1 1 1
208 1 1 1 1 20 PHE QD . 20 . HD# 1 1
208 1 2 1 1 21 DTR HA . 21 . HA 1 1
209 1 1 1 1 20 PHE QD . 20 . HD# 1 1
209 1 2 1 1 21 DTR HE1 . 21 . 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 . . . . . 2.0 1.8 2.9 1 1
2 1 . . . . . 2.0 1.8 3.5 1 1
3 1 . . . . . 2.0 1.8 6.0 1 1
4 1 . . . . . 2.0 1.8 5.0 1 1
5 1 . . . . . 2.0 1.8 6.0 1 1
6 1 . . . . . 2.0 1.8 6.0 1 1
7 1 . . . . . 2.0 1.8 3.9 1 1
8 1 . . . . . 2.0 1.8 7.4 1 1
9 1 . . . . . 2.0 1.8 3.5 1 1
10 1 . . . . . 2.0 1.8 5.0 1 1
11 1 . . . . . 2.0 1.8 5.0 1 1
12 1 . . . . . 2.0 1.8 5.0 1 1
13 1 . . . . . 2.0 1.8 6.0 1 1
14 1 . . . . . 2.0 1.8 5.0 1 1
15 1 . . . . . 2.0 1.8 3.5 1 1
16 1 . . . . . 2.0 1.8 6.0 1 1
17 1 . . . . . 2.0 1.8 7.4 1 1
18 1 . . . . . 2.0 1.8 7.5 1 1
19 1 . . . . . 2.0 1.8 2.9 1 1
20 1 . . . . . 2.0 1.8 4.0 1 1
21 1 . . . . . 2.0 1.8 3.9 1 1
22 1 . . . . . 2.0 1.8 4.5 1 1
23 1 . . . . . 2.0 1.8 8.4 1 1
24 1 . . . . . 2.0 1.8 7.0 1 1
25 1 . . . . . 2.0 1.8 7.5 1 1
26 1 . . . . . 2.0 1.8 4.5 1 1
27 1 . . . . . 2.0 1.8 7.0 1 1
28 1 . . . . . 2.0 1.8 8.4 1 1
29 1 . . . . . 2.0 1.8 7.4 1 1
30 1 . . . . . 2.0 1.8 7.4 1 1
31 1 . . . . . 2.0 1.8 9.8 1 1
32 1 . . . . . 2.0 1.8 7.4 1 1
33 1 . . . . . 2.0 1.8 5.9 1 1
34 1 . . . . . 2.0 1.8 8.4 1 1
35 1 . . . . . 2.0 1.8 9.8 1 1
36 1 . . . . . 2.0 1.8 8.4 1 1
37 1 . . . . . 2.0 1.8 5.0 1 1
38 1 . . . . . 2.0 1.8 6.0 1 1
39 1 . . . . . 2.0 1.8 6.0 1 1
40 1 . . . . . 2.0 1.8 3.5 1 1
41 1 . . . . . 2.0 1.8 5.0 1 1
42 1 . . . . . 2.0 1.8 2.9 1 1
43 1 . . . . . 2.0 1.8 7.4 1 1
44 1 . . . . . 2.0 1.8 7.0 1 1
45 1 . . . . . 2.0 1.8 7.4 1 1
46 1 . . . . . 2.0 1.8 4.5 1 1
47 1 . . . . . 2.0 1.8 6.9 1 1
48 1 . . . . . 2.0 1.8 7.4 1 1
49 1 . . . . . 2.0 1.8 2.9 1 1
50 1 . . . . . 2.0 1.8 5.3 1 1
51 1 . . . . . 2.0 1.8 5.0 1 1
52 1 . . . . . 2.0 1.8 4.5 1 1
53 1 . . . . . 2.0 1.8 7.4 1 1
54 1 . . . . . 2.0 1.8 8.4 1 1
55 1 . . . . . 2.0 1.8 2.9 1 1
56 1 . . . . . 2.0 1.8 3.5 1 1
57 1 . . . . . 2.0 1.8 5.3 1 1
58 1 . . . . . 2.0 1.8 9.8 1 1
59 1 . . . . . 2.0 1.8 3.5 1 1
60 1 . . . . . 2.0 1.8 6.0 1 1
61 1 . . . . . 2.0 1.8 7.4 1 1
62 1 . . . . . 2.0 1.8 7.4 1 1
63 1 . . . . . 2.0 1.8 3.9 1 1
64 1 . . . . . 2.0 1.8 4.5 1 1
65 1 . . . . . 2.0 1.8 7.0 1 1
66 1 . . . . . 2.0 1.8 6.9 1 1
67 1 . . . . . 2.0 1.8 7.4 1 1
68 1 . . . . . 2.0 1.8 6.0 1 1
69 1 . . . . . 2.0 1.8 3.9 1 1
70 1 . . . . . 2.0 1.8 2.9 1 1
71 1 . . . . . 2.0 1.8 3.5 1 1
72 1 . . . . . 2.0 1.8 8.4 1 1
73 1 . . . . . 2.0 1.8 3.5 1 1
74 1 . . . . . 2.0 1.8 4.5 1 1
75 1 . . . . . 2.0 1.8 3.9 1 1
76 1 . . . . . 2.0 1.8 5.0 1 1
77 1 . . . . . 2.0 1.8 8.4 1 1
78 1 . . . . . 2.0 1.8 6.0 1 1
79 1 . . . . . 2.0 1.8 7.0 1 1
80 1 . . . . . 2.0 1.8 7.4 1 1
81 1 . . . . . 2.0 1.8 3.5 1 1
82 1 . . . . . 2.0 1.8 6.0 1 1
83 1 . . . . . 2.0 1.8 4.0 1 1
84 1 . . . . . 2.0 1.8 2.9 1 1
85 1 . . . . . 2.0 1.8 6.0 1 1
86 1 . . . . . 2.0 1.8 5.0 1 1
87 1 . . . . . 2.0 1.8 7.4 1 1
88 1 . . . . . 2.0 1.8 8.4 1 1
89 1 . . . . . 2.0 1.8 6.0 1 1
90 1 . . . . . 2.0 1.8 6.5 1 1
91 1 . . . . . 2.0 1.8 3.9 1 1
92 1 . . . . . 2.0 1.8 6.0 1 1
93 1 . . . . . 2.0 1.8 6.0 1 1
94 1 . . . . . 2.0 1.8 6.0 1 1
95 1 . . . . . 2.0 1.8 6.0 1 1
96 1 . . . . . 2.0 1.8 2.9 1 1
97 1 . . . . . 2.0 1.8 5.3 1 1
98 1 . . . . . 2.0 1.8 5.0 1 1
99 1 . . . . . 2.0 1.8 6.0 1 1
100 1 . . . . . 2.0 1.8 8.4 1 1
101 1 . . . . . 2.0 1.8 5.5 1 1
102 1 . . . . . 2.0 1.8 7.0 1 1
103 1 . . . . . 2.0 1.8 2.9 1 1
104 1 . . . . . 2.0 1.8 6.0 1 1
105 1 . . . . . 2.0 1.8 5.0 1 1
106 1 . . . . . 2.0 1.8 2.5 1 1
107 1 . . . . . 2.0 1.8 3.0 1 1
108 1 . . . . . 2.0 1.8 5.0 1 1
109 1 . . . . . 2.0 1.8 6.0 1 1
110 1 . . . . . 2.0 1.8 3.5 1 1
111 1 . . . . . 2.0 1.8 5.0 1 1
112 1 . . . . . 2.0 1.8 5.9 1 1
113 1 . . . . . 2.0 1.8 7.4 1 1
114 1 . . . . . 2.0 1.8 5.9 1 1
115 1 . . . . . 2.0 1.8 6.4 1 1
116 1 . . . . . 2.0 1.8 7.4 1 1
117 1 . . . . . 2.0 1.8 8.4 1 1
118 1 . . . . . 2.0 1.8 5.9 1 1
119 1 . . . . . 2.0 1.8 8.3 1 1
120 1 . . . . . 2.0 1.8 8.3 1 1
121 1 . . . . . 2.0 1.8 7.4 1 1
122 1 . . . . . 2.0 1.8 6.0 1 1
123 1 . . . . . 2.0 1.8 3.5 1 1
124 1 . . . . . 2.0 1.8 4.0 1 1
125 1 . . . . . 2.0 1.8 3.5 1 1
126 1 . . . . . 2.0 1.8 6.0 1 1
127 1 . . . . . 2.0 1.8 3.5 1 1
128 1 . . . . . 2.0 1.8 5.0 1 1
129 1 . . . . . 2.0 1.8 5.0 1 1
130 1 . . . . . 2.0 1.8 5.0 1 1
131 1 . . . . . 2.0 1.8 7.5 1 1
132 1 . . . . . 2.0 1.8 4.5 1 1
133 1 . . . . . 2.0 1.8 5.0 1 1
134 1 . . . . . 2.0 1.8 3.5 1 1
135 1 . . . . . 2.0 1.8 7.0 1 1
136 1 . . . . . 2.0 1.8 2.9 1 1
137 1 . . . . . 2.0 1.8 6.0 1 1
138 1 . . . . . 2.0 1.8 6.5 1 1
139 1 . . . . . 2.0 1.8 4.5 1 1
140 1 . . . . . 2.0 1.8 7.0 1 1
141 1 . . . . . 2.0 1.8 7.4 1 1
142 1 . . . . . 2.0 1.8 7.4 1 1
143 1 . . . . . 2.0 1.8 4.4 1 1
144 1 . . . . . 2.0 1.8 5.0 1 1
145 1 . . . . . 2.0 1.8 5.0 1 1
146 1 . . . . . 2.0 1.8 2.9 1 1
147 1 . . . . . 2.0 1.8 6.0 1 1
148 1 . . . . . 2.0 1.8 5.0 1 1
149 1 . . . . . 2.0 1.8 7.5 1 1
150 1 . . . . . 2.0 1.8 6.5 1 1
151 1 . . . . . 2.0 1.8 2.9 1 1
152 1 . . . . . 2.0 1.8 6.0 1 1
153 1 . . . . . 2.0 1.8 3.9 1 1
154 1 . . . . . 2.0 1.8 2.9 1 1
155 1 . . . . . 2.0 1.8 5.0 1 1
156 1 . . . . . 2.0 1.8 3.9 1 1
157 1 . . . . . 2.0 1.8 5.0 1 1
158 1 . . . . . 2.0 1.8 4.5 1 1
159 1 . . . . . 2.0 1.8 6.0 1 1
160 1 . . . . . 2.0 1.8 6.9 1 1
161 1 . . . . . 2.0 1.8 8.4 1 1
162 1 . . . . . 2.0 1.8 4.5 1 1
163 1 . . . . . 2.0 1.8 7.4 1 1
164 1 . . . . . 2.0 1.8 5.0 1 1
165 1 . . . . . 2.0 1.8 2.9 1 1
166 1 . . . . . 2.0 1.8 6.5 1 1
167 1 . . . . . 2.0 1.8 3.9 1 1
168 1 . . . . . 2.0 1.8 6.0 1 1
169 1 . . . . . 2.0 1.8 5.9 1 1
170 1 . . . . . 2.0 1.8 4.4 1 1
171 1 . . . . . 2.0 1.8 5.0 1 1
172 1 . . . . . 2.0 1.8 2.9 1 1
173 1 . . . . . 2.0 1.8 5.9 1 1
174 1 . . . . . 2.0 1.8 3.5 1 1
175 1 . . . . . 2.0 1.8 4.4 1 1
176 1 . . . . . 2.0 1.8 7.5 1 1
177 1 . . . . . 2.0 1.8 3.5 1 1
178 1 . . . . . 2.0 1.8 3.9 1 1
179 1 . . . . . 2.0 1.8 2.9 1 1
180 1 . . . . . 2.0 1.8 6.0 1 1
181 1 . . . . . 2.0 1.8 6.0 1 1
182 1 . . . . . 2.0 1.8 3.5 1 1
183 1 . . . . . 2.0 1.8 5.0 1 1
184 1 . . . . . 2.0 1.8 5.0 1 1
185 1 . . . . . 2.0 1.8 3.5 1 1
186 1 . . . . . 2.0 1.8 5.9 1 1
187 1 . . . . . 2.0 1.8 5.0 1 1
188 1 . . . . . 2.0 1.8 2.9 1 1
189 1 . . . . . 2.0 1.8 6.0 1 1
190 1 . . . . . 2.0 1.8 6.0 1 1
191 1 . . . . . 2.0 1.8 6.0 1 1
192 1 . . . . . 2.0 1.8 3.5 1 1
193 1 . . . . . 2.0 1.8 6.0 1 1
194 1 . . . . . 2.0 1.8 5.9 1 1
195 1 . . . . . 2.0 1.8 5.9 1 1
196 1 . . . . . 2.0 1.8 9.8 1 1
197 1 . . . . . 2.0 1.8 8.4 1 1
198 1 . . . . . 2.0 1.8 4.5 1 1
199 1 . . . . . 2.0 1.8 3.5 1 1
200 1 . . . . . 2.0 1.8 7.4 1 1
201 1 . . . . . 2.0 1.8 6.0 1 1
202 1 . . . . . 2.0 1.8 3.5 1 1
203 1 . . . . . 2.0 1.8 5.0 1 1
204 1 . . . . . 2.0 1.8 3.9 1 1
205 1 . . . . . 2.0 1.8 5.9 1 1
206 1 . . . . . 2.0 1.8 5.0 1 1
207 1 . . . . . 2.0 1.8 7.0 1 1
208 1 . . . . . 2.0 1.8 8.4 1 1
209 1 . . . . . 2.0 1.8 8.4 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 1 CYS C 1 1 2 LEU N 1 1 2 LEU CA 1 1 2 LEU C -150.0 -89.99999 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1
2 . 1 1 3 GLY C 1 1 4 VAL N 1 1 4 VAL CA 1 1 4 VAL C -150.0 -89.99999 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1
3 . 1 1 5 GLY C 1 1 6 SER N 1 1 6 SER CA 1 1 6 SER C -150.0 -89.99999 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1
4 . 1 1 6 SER C 1 1 7 CYS N 1 1 7 CYS CA 1 1 7 CYS C -150.0 -89.99999 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1
5 . 1 1 7 CYS C 1 1 8 VAL N 1 1 8 VAL CA 1 1 8 VAL C -150.0 -89.99999 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1
6 . 1 1 8 VAL C 1 1 9 ASP N 1 1 9 ASP CA 1 1 9 ASP C -150.0 -89.99999 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1
7 . 1 1 14 GLY C 1 1 15 TYR N 1 1 15 TYR CA 1 1 15 TYR C -150.0 -89.99999 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1
8 . 1 1 15 TYR C 1 1 16 ALA N 1 1 16 ALA CA 1 1 16 ALA C -150.0 -89.99999 . 15 . C . 16 . N . 16 . CA . 16 . C 1 1
9 . 1 1 16 ALA C 1 1 17 VAL N 1 1 17 VAL CA 1 1 17 VAL C -150.0 -89.99999 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1
10 . 1 1 17 VAL C 1 1 18 VAL N 1 1 18 VAL CA 1 1 18 VAL C -150.0 -89.99999 . 17 . C . 18 . N . 18 . CA . 18 . C 1 1
11 . 1 1 18 VAL C 1 1 19 CYS N 1 1 19 CYS CA 1 1 19 CYS C -150.0 -89.99999 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1
12 . 1 1 19 CYS C 1 1 20 PHE N 1 1 20 PHE CA 1 1 20 PHE C -150.0 -89.99999 . 19 . C . 20 . N . 20 . CA . 20 . C 1 1
13 . 1 1 20 PHE C 1 1 21 DTR N 1 1 21 DTR CA 1 1 21 DTR C -150.0 -89.99999 . 20 . C . 21 . N . 21 . CA . 21 . C 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 CYS C C -5.942 0.047 1.399 1.00 . A A . 1 CYS C 1 1
1 2 1 1 1 CYS CA C -5.254 -1.050 2.210 1.00 . A A . 1 CYS CA 1 1
1 3 1 1 1 CYS CB C -6.157 -1.511 3.364 1.00 . A A . 1 CYS CB 1 1
1 4 1 1 1 CYS H1 H -3.900 0.402 2.728 1.00 . A A . 1 CYS H1 1 1
1 5 1 1 1 CYS HA H -5.055 -1.889 1.562 1.00 . A A . 1 CYS HA 1 1
1 6 1 1 1 CYS HB2 H -5.886 -2.519 3.639 1.00 . A A . 1 CYS HB2 1 1
1 7 1 1 1 CYS HB3 H -6.000 -0.861 4.213 1.00 . A A . 1 CYS HB3 1 1
1 8 1 1 1 CYS N N -3.975 -0.575 2.732 1.00 . A A . 1 CYS N 1 1
1 9 1 1 1 CYS O O -6.597 0.927 1.957 1.00 . A A . 1 CYS O 1 1
1 10 1 1 1 CYS SG S -7.945 -1.508 2.988 1.00 . A A . 1 CYS SG 1 1
1 11 1 1 2 LEU C C -6.760 0.357 -2.146 1.00 . A A . 2 LEU C 1 1
1 12 1 1 2 LEU CA C -6.386 0.977 -0.805 1.00 . A A . 2 LEU CA 1 1
1 13 1 1 2 LEU CB C -5.424 2.147 -1.017 1.00 . A A . 2 LEU CB 1 1
1 14 1 1 2 LEU CD1 C -3.654 3.648 -0.069 1.00 . A A . 2 LEU CD1 1 1
1 15 1 1 2 LEU CD2 C -5.853 3.423 1.098 1.00 . A A . 2 LEU CD2 1 1
1 16 1 1 2 LEU CG C -4.801 2.709 0.263 1.00 . A A . 2 LEU CG 1 1
1 17 1 1 2 LEU H H -5.248 -0.735 -0.303 1.00 . A A . 2 LEU H 1 1
1 18 1 1 2 LEU HA H -7.283 1.344 -0.333 1.00 . A A . 2 LEU HA 1 1
1 19 1 1 2 LEU HB2 H -4.627 1.818 -1.668 1.00 . A A . 2 LEU HB2 1 1
1 20 1 1 2 LEU HB3 H -5.962 2.944 -1.508 1.00 . A A . 2 LEU HB3 1 1
1 21 1 1 2 LEU HD11 H -3.074 3.838 0.822 1.00 . A A . 2 LEU HD11 1 1
1 22 1 1 2 LEU HD12 H -4.049 4.579 -0.447 1.00 . A A . 2 LEU HD12 1 1
1 23 1 1 2 LEU HD13 H -3.022 3.194 -0.819 1.00 . A A . 2 LEU HD13 1 1
1 24 1 1 2 LEU HD21 H -5.665 3.240 2.146 1.00 . A A . 2 LEU HD21 1 1
1 25 1 1 2 LEU HD22 H -6.833 3.051 0.838 1.00 . A A . 2 LEU HD22 1 1
1 26 1 1 2 LEU HD23 H -5.807 4.484 0.904 1.00 . A A . 2 LEU HD23 1 1
1 27 1 1 2 LEU HG H -4.403 1.894 0.849 1.00 . A A . 2 LEU HG 1 1
1 28 1 1 2 LEU N N -5.785 -0.011 0.082 1.00 . A A . 2 LEU N 1 1
1 29 1 1 2 LEU O O -6.441 -0.800 -2.418 1.00 . A A . 2 LEU O 1 1
1 30 1 1 3 GLY C C -6.720 0.686 -5.304 1.00 . A A . 3 GLY C 1 1
1 31 1 1 3 GLY CA C -7.845 0.649 -4.286 1.00 . A A . 3 GLY CA 1 1
1 32 1 1 3 GLY H H -7.664 2.050 -2.710 1.00 . A A . 3 GLY H 1 1
1 33 1 1 3 GLY HA2 H -8.190 -0.370 -4.185 1.00 . A A . 3 GLY HA2 1 1
1 34 1 1 3 GLY HA3 H -8.661 1.259 -4.646 1.00 . A A . 3 GLY HA3 1 1
1 35 1 1 3 GLY N N -7.439 1.136 -2.981 1.00 . A A . 3 GLY N 1 1
1 36 1 1 3 GLY O O -6.926 0.365 -6.474 1.00 . A A . 3 GLY O 1 1
1 37 1 1 4 VAL C C -3.614 -0.173 -5.772 1.00 . A A . 4 VAL C 1 1
1 38 1 1 4 VAL CA C -4.372 1.151 -5.752 1.00 . A A . 4 VAL CA 1 1
1 39 1 1 4 VAL CB C -3.409 2.282 -5.335 1.00 . A A . 4 VAL CB 1 1
1 40 1 1 4 VAL CG1 C -2.442 2.606 -6.463 1.00 . A A . 4 VAL CG1 1 1
1 41 1 1 4 VAL CG2 C -4.187 3.522 -4.922 1.00 . A A . 4 VAL CG2 1 1
1 42 1 1 4 VAL H H -5.419 1.323 -3.918 1.00 . A A . 4 VAL H 1 1
1 43 1 1 4 VAL HA H -4.733 1.362 -6.748 1.00 . A A . 4 VAL HA 1 1
1 44 1 1 4 VAL HB H -2.835 1.944 -4.485 1.00 . A A . 4 VAL HB 1 1
1 45 1 1 4 VAL HG11 H -2.074 3.614 -6.343 1.00 . A A . 4 VAL HG11 1 1
1 46 1 1 4 VAL HG12 H -2.953 2.520 -7.411 1.00 . A A . 4 VAL HG12 1 1
1 47 1 1 4 VAL HG13 H -1.613 1.915 -6.437 1.00 . A A . 4 VAL HG13 1 1
1 48 1 1 4 VAL HG21 H -4.329 3.519 -3.851 1.00 . A A . 4 VAL HG21 1 1
1 49 1 1 4 VAL HG22 H -5.150 3.523 -5.412 1.00 . A A . 4 VAL HG22 1 1
1 50 1 1 4 VAL HG23 H -3.636 4.405 -5.209 1.00 . A A . 4 VAL HG23 1 1
1 51 1 1 4 VAL N N -5.527 1.077 -4.862 1.00 . A A . 4 VAL N 1 1
1 52 1 1 4 VAL O O -3.815 -1.026 -4.908 1.00 . A A . 4 VAL O 1 1
1 53 1 1 5 GLY C C -0.508 -1.325 -7.139 1.00 . A A . 5 GLY C 1 1
1 54 1 1 5 GLY CA C -1.982 -1.571 -6.879 1.00 . A A . 5 GLY CA 1 1
1 55 1 1 5 GLY H H -2.634 0.366 -7.428 1.00 . A A . 5 GLY H 1 1
1 56 1 1 5 GLY HA2 H -2.085 -2.130 -5.961 1.00 . A A . 5 GLY HA2 1 1
1 57 1 1 5 GLY HA3 H -2.386 -2.158 -7.691 1.00 . A A . 5 GLY HA3 1 1
1 58 1 1 5 GLY N N -2.748 -0.343 -6.765 1.00 . A A . 5 GLY N 1 1
1 59 1 1 5 GLY O O 0.139 -2.097 -7.847 1.00 . A A . 5 GLY O 1 1
1 60 1 1 6 SER C C 2.277 -0.587 -5.644 1.00 . A A . 6 SER C 1 1
1 61 1 1 6 SER CA C 1.440 0.076 -6.733 1.00 . A A . 6 SER CA 1 1
1 62 1 1 6 SER CB C 1.641 1.592 -6.698 1.00 . A A . 6 SER CB 1 1
1 63 1 1 6 SER H H -0.533 0.321 -6.002 1.00 . A A . 6 SER H 1 1
1 64 1 1 6 SER HA H 1.756 -0.300 -7.694 1.00 . A A . 6 SER HA 1 1
1 65 1 1 6 SER HB2 H 0.749 2.080 -7.063 1.00 . A A . 6 SER HB2 1 1
1 66 1 1 6 SER HB3 H 1.832 1.905 -5.683 1.00 . A A . 6 SER HB3 1 1
1 67 1 1 6 SER HG H 3.006 2.872 -7.278 1.00 . A A . 6 SER HG 1 1
1 68 1 1 6 SER N N 0.029 -0.255 -6.561 1.00 . A A . 6 SER N 1 1
1 69 1 1 6 SER O O 3.413 -0.999 -5.878 1.00 . A A . 6 SER O 1 1
1 70 1 1 6 SER OG O 2.735 1.980 -7.510 1.00 . A A . 6 SER OG 1 1
1 71 1 1 7 CYS C C 1.328 -1.964 -2.406 1.00 . A A . 7 CYS C 1 1
1 72 1 1 7 CYS CA C 2.361 -1.307 -3.315 1.00 . A A . 7 CYS CA 1 1
1 73 1 1 7 CYS CB C 3.164 -0.260 -2.539 1.00 . A A . 7 CYS CB 1 1
1 74 1 1 7 CYS H H 0.784 -0.345 -4.342 1.00 . A A . 7 CYS H 1 1
1 75 1 1 7 CYS HA H 3.032 -2.066 -3.688 1.00 . A A . 7 CYS HA 1 1
1 76 1 1 7 CYS HB2 H 3.344 0.592 -3.178 1.00 . A A . 7 CYS HB2 1 1
1 77 1 1 7 CYS HB3 H 2.593 0.057 -1.679 1.00 . A A . 7 CYS HB3 1 1
1 78 1 1 7 CYS N N 1.695 -0.690 -4.456 1.00 . A A . 7 CYS N 1 1
1 79 1 1 7 CYS O O 0.203 -2.228 -2.830 1.00 . A A . 7 CYS O 1 1
1 80 1 1 7 CYS SG S 4.781 -0.854 -1.943 1.00 . A A . 7 CYS SG 1 1
1 81 1 1 8 VAL C C 0.847 -2.172 1.145 1.00 . A A . 8 VAL C 1 1
1 82 1 1 8 VAL CA C 0.785 -2.847 -0.215 1.00 . A A . 8 VAL CA 1 1
1 83 1 1 8 VAL CB C 1.085 -4.341 -0.023 1.00 . A A . 8 VAL CB 1 1
1 84 1 1 8 VAL CG1 C -0.069 -5.043 0.674 1.00 . A A . 8 VAL CG1 1 1
1 85 1 1 8 VAL CG2 C 1.402 -5.009 -1.352 1.00 . A A . 8 VAL CG2 1 1
1 86 1 1 8 VAL H H 2.609 -1.994 -0.869 1.00 . A A . 8 VAL H 1 1
1 87 1 1 8 VAL HA H -0.216 -2.749 -0.610 1.00 . A A . 8 VAL HA 1 1
1 88 1 1 8 VAL HB H 1.948 -4.418 0.610 1.00 . A A . 8 VAL HB 1 1
1 89 1 1 8 VAL HG11 H -0.472 -5.809 0.028 1.00 . A A . 8 VAL HG11 1 1
1 90 1 1 8 VAL HG12 H -0.841 -4.327 0.906 1.00 . A A . 8 VAL HG12 1 1
1 91 1 1 8 VAL HG13 H 0.285 -5.496 1.589 1.00 . A A . 8 VAL HG13 1 1
1 92 1 1 8 VAL HG21 H 0.919 -4.467 -2.152 1.00 . A A . 8 VAL HG21 1 1
1 93 1 1 8 VAL HG22 H 1.041 -6.027 -1.337 1.00 . A A . 8 VAL HG22 1 1
1 94 1 1 8 VAL HG23 H 2.470 -5.008 -1.510 1.00 . A A . 8 VAL HG23 1 1
1 95 1 1 8 VAL N N 1.703 -2.225 -1.160 1.00 . A A . 8 VAL N 1 1
1 96 1 1 8 VAL O O 1.892 -1.674 1.564 1.00 . A A . 8 VAL O 1 1
1 97 1 1 9 ASP C C -0.431 -2.654 4.236 1.00 . A A . 9 ASP C 1 1
1 98 1 1 9 ASP CA C -0.382 -1.575 3.157 1.00 . A A . 9 ASP CA 1 1
1 99 1 1 9 ASP CB C -1.619 -0.675 3.259 1.00 . A A . 9 ASP CB 1 1
1 100 1 1 9 ASP CG C -2.867 -1.311 2.675 1.00 . A A . 9 ASP CG 1 1
1 101 1 1 9 ASP H H -1.069 -2.595 1.433 1.00 . A A . 9 ASP H 1 1
1 102 1 1 9 ASP HA H 0.501 -0.973 3.311 1.00 . A A . 9 ASP HA 1 1
1 103 1 1 9 ASP HB2 H -1.807 -0.455 4.299 1.00 . A A . 9 ASP HB2 1 1
1 104 1 1 9 ASP HB3 H -1.427 0.248 2.732 1.00 . A A . 9 ASP HB3 1 1
1 105 1 1 9 ASP N N -0.284 -2.173 1.830 1.00 . A A . 9 ASP N 1 1
1 106 1 1 9 ASP O O -0.213 -2.375 5.415 1.00 . A A . 9 ASP O 1 1
1 107 1 1 9 ASP OD1 O -2.834 -2.439 2.183 1.00 . A A . 9 ASP OD1 1 1
1 108 1 1 10 PHE C C -1.839 -4.751 5.832 1.00 . A A . 10 PHE C 1 1
1 109 1 1 10 PHE CA C -0.791 -5.009 4.757 1.00 . A A . 10 PHE CA 1 1
1 110 1 1 10 PHE CB C 0.572 -5.270 5.413 1.00 . A A . 10 PHE CB 1 1
1 111 1 1 10 PHE CD1 C 2.416 -3.573 5.268 1.00 . A A . 10 PHE CD1 1 1
1 112 1 1 10 PHE CD2 C 2.140 -5.103 3.458 1.00 . A A . 10 PHE CD2 1 1
1 113 1 1 10 PHE CE1 C 3.483 -2.987 4.614 1.00 . A A . 10 PHE CE1 1 1
1 114 1 1 10 PHE CE2 C 3.207 -4.520 2.800 1.00 . A A . 10 PHE CE2 1 1
1 115 1 1 10 PHE CG C 1.733 -4.636 4.698 1.00 . A A . 10 PHE CG 1 1
1 116 1 1 10 PHE CZ C 3.879 -3.461 3.379 1.00 . A A . 10 PHE CZ 1 1
1 117 1 1 10 PHE H H -0.880 -4.050 2.874 1.00 . A A . 10 PHE H 1 1
1 118 1 1 10 PHE HA H -1.082 -5.882 4.195 1.00 . A A . 10 PHE HA 1 1
1 119 1 1 10 PHE HB2 H 0.556 -4.884 6.421 1.00 . A A . 10 PHE HB2 1 1
1 120 1 1 10 PHE HB3 H 0.744 -6.336 5.447 1.00 . A A . 10 PHE HB3 1 1
1 121 1 1 10 PHE HD1 H 2.107 -3.202 6.234 1.00 . A A . 10 PHE HD1 1 1
1 122 1 1 10 PHE HD2 H 1.615 -5.930 3.005 1.00 . A A . 10 PHE HD2 1 1
1 123 1 1 10 PHE HE1 H 4.006 -2.159 5.069 1.00 . A A . 10 PHE HE1 1 1
1 124 1 1 10 PHE HE2 H 3.514 -4.892 1.834 1.00 . A A . 10 PHE HE2 1 1
1 125 1 1 10 PHE HZ H 4.713 -3.004 2.867 1.00 . A A . 10 PHE HZ 1 1
1 126 1 1 10 PHE N N -0.716 -3.888 3.826 1.00 . A A . 10 PHE N 1 1
1 127 1 1 10 PHE O O -1.720 -5.233 6.958 1.00 . A A . 10 PHE O 1 1
1 128 1 1 11 ALA C C -5.134 -4.592 6.201 1.00 . A A . 11 ALA C 1 1
1 129 1 1 11 ALA CA C -3.937 -3.676 6.412 1.00 . A A . 11 ALA CA 1 1
1 130 1 1 11 ALA CB C -4.350 -2.219 6.274 1.00 . A A . 11 ALA CB 1 1
1 131 1 1 11 ALA H H -2.909 -3.639 4.563 1.00 . A A . 11 ALA H 1 1
1 132 1 1 11 ALA HA H -3.558 -3.828 7.410 1.00 . A A . 11 ALA HA 1 1
1 133 1 1 11 ALA HB1 H -4.404 -1.957 5.228 1.00 . A A . 11 ALA HB1 1 1
1 134 1 1 11 ALA HB2 H -3.622 -1.590 6.765 1.00 . A A . 11 ALA HB2 1 1
1 135 1 1 11 ALA HB3 H -5.318 -2.074 6.732 1.00 . A A . 11 ALA HB3 1 1
1 136 1 1 11 ALA N N -2.868 -3.992 5.476 1.00 . A A . 11 ALA N 1 1
1 137 1 1 11 ALA O O -6.272 -4.227 6.498 1.00 . A A . 11 ALA O 1 1
1 138 1 1 12 GLY C C -6.347 -6.772 3.985 1.00 . A A . 12 GLY C 1 1
1 139 1 1 12 GLY CA C -5.932 -6.741 5.440 1.00 . A A . 12 GLY CA 1 1
1 140 1 1 12 GLY H H -3.939 -6.018 5.468 1.00 . A A . 12 GLY H 1 1
1 141 1 1 12 GLY HA2 H -5.592 -7.725 5.729 1.00 . A A . 12 GLY HA2 1 1
1 142 1 1 12 GLY HA3 H -6.787 -6.476 6.043 1.00 . A A . 12 GLY HA3 1 1
1 143 1 1 12 GLY N N -4.868 -5.786 5.686 1.00 . A A . 12 GLY N 1 1
1 144 1 1 12 GLY O O -6.702 -7.824 3.454 1.00 . A A . 12 GLY O 1 1
1 145 1 1 13 CYS C C -5.466 -5.866 1.054 1.00 . A A . 13 CYS C 1 1
1 146 1 1 13 CYS CA C -6.658 -5.508 1.931 1.00 . A A . 13 CYS CA 1 1
1 147 1 1 13 CYS CB C -7.143 -4.093 1.614 1.00 . A A . 13 CYS CB 1 1
1 148 1 1 13 CYS H H -5.994 -4.812 3.816 1.00 . A A . 13 CYS H 1 1
1 149 1 1 13 CYS HA H -7.457 -6.208 1.740 1.00 . A A . 13 CYS HA 1 1
1 150 1 1 13 CYS HB2 H -6.303 -3.416 1.650 1.00 . A A . 13 CYS HB2 1 1
1 151 1 1 13 CYS HB3 H -7.569 -4.079 0.621 1.00 . A A . 13 CYS HB3 1 1
1 152 1 1 13 CYS N N -6.294 -5.614 3.338 1.00 . A A . 13 CYS N 1 1
1 153 1 1 13 CYS O O -5.608 -6.545 0.037 1.00 . A A . 13 CYS O 1 1
1 154 1 1 13 CYS SG S -8.407 -3.471 2.769 1.00 . A A . 13 CYS SG 1 1
1 155 1 1 14 GLY C C -2.848 -4.762 -0.438 1.00 . A A . 14 GLY C 1 1
1 156 1 1 14 GLY CA C -3.078 -5.706 0.727 1.00 . A A . 14 GLY CA 1 1
1 157 1 1 14 GLY H H -4.237 -4.888 2.293 1.00 . A A . 14 GLY H 1 1
1 158 1 1 14 GLY HA2 H -2.240 -5.640 1.401 1.00 . A A . 14 GLY HA2 1 1
1 159 1 1 14 GLY HA3 H -3.140 -6.716 0.348 1.00 . A A . 14 GLY HA3 1 1
1 160 1 1 14 GLY N N -4.287 -5.415 1.468 1.00 . A A . 14 GLY N 1 1
1 161 1 1 14 GLY O O -2.441 -5.193 -1.517 1.00 . A A . 14 GLY O 1 1
1 162 1 1 15 TYR C C -2.537 -1.114 -0.733 1.00 . A A . 15 TYR C 1 1
1 163 1 1 15 TYR CA C -2.904 -2.489 -1.290 1.00 . A A . 15 TYR CA 1 1
1 164 1 1 15 TYR CB C -4.159 -2.382 -2.157 1.00 . A A . 15 TYR CB 1 1
1 165 1 1 15 TYR CD1 C -3.625 -3.829 -4.155 1.00 . A A . 15 TYR CD1 1 1
1 166 1 1 15 TYR CD2 C -5.400 -4.508 -2.716 1.00 . A A . 15 TYR CD2 1 1
1 167 1 1 15 TYR CE1 C -3.841 -4.938 -4.952 1.00 . A A . 15 TYR CE1 1 1
1 168 1 1 15 TYR CE2 C -5.622 -5.619 -3.507 1.00 . A A . 15 TYR CE2 1 1
1 169 1 1 15 TYR CG C -4.399 -3.596 -3.026 1.00 . A A . 15 TYR CG 1 1
1 170 1 1 15 TYR CZ C -4.840 -5.829 -4.623 1.00 . A A . 15 TYR CZ 1 1
1 171 1 1 15 TYR H H -3.421 -3.178 0.649 1.00 . A A . 15 TYR H 1 1
1 172 1 1 15 TYR HA H -2.087 -2.836 -1.906 1.00 . A A . 15 TYR HA 1 1
1 173 1 1 15 TYR HB2 H -5.019 -2.256 -1.520 1.00 . A A . 15 TYR HB2 1 1
1 174 1 1 15 TYR HB3 H -4.067 -1.522 -2.805 1.00 . A A . 15 TYR HB3 1 1
1 175 1 1 15 TYR HD1 H -2.843 -3.129 -4.410 1.00 . A A . 15 TYR HD1 1 1
1 176 1 1 15 TYR HD2 H -6.011 -4.340 -1.842 1.00 . A A . 15 TYR HD2 1 1
1 177 1 1 15 TYR HE1 H -3.228 -5.102 -5.826 1.00 . A A . 15 TYR HE1 1 1
1 178 1 1 15 TYR HE2 H -6.405 -6.317 -3.250 1.00 . A A . 15 TYR HE2 1 1
1 179 1 1 15 TYR HH H -5.021 -6.680 -6.338 1.00 . A A . 15 TYR HH 1 1
1 180 1 1 15 TYR N N -3.101 -3.472 -0.229 1.00 . A A . 15 TYR N 1 1
1 181 1 1 15 TYR O O -3.278 -0.528 0.055 1.00 . A A . 15 TYR O 1 1
1 182 1 1 15 TYR OH O -5.058 -6.935 -5.413 1.00 . A A . 15 TYR OH 1 1
1 183 1 1 16 ALA C C -0.347 1.479 -1.927 1.00 . A A . 16 ALA C 1 1
1 184 1 1 16 ALA CA C -0.902 0.702 -0.744 1.00 . A A . 16 ALA CA 1 1
1 185 1 1 16 ALA CB C 0.164 0.558 0.329 1.00 . A A . 16 ALA CB 1 1
1 186 1 1 16 ALA H H -0.855 -1.128 -1.798 1.00 . A A . 16 ALA H 1 1
1 187 1 1 16 ALA HA H -1.725 1.256 -0.326 1.00 . A A . 16 ALA HA 1 1
1 188 1 1 16 ALA HB1 H 0.992 -0.016 -0.061 1.00 . A A . 16 ALA HB1 1 1
1 189 1 1 16 ALA HB2 H -0.254 0.053 1.186 1.00 . A A . 16 ALA HB2 1 1
1 190 1 1 16 ALA HB3 H 0.513 1.537 0.623 1.00 . A A . 16 ALA HB3 1 1
1 191 1 1 16 ALA N N -1.389 -0.607 -1.167 1.00 . A A . 16 ALA N 1 1
1 192 1 1 16 ALA O O 0.257 0.904 -2.832 1.00 . A A . 16 ALA O 1 1
1 193 1 1 17 VAL C C 1.380 4.102 -2.646 1.00 . A A . 17 VAL C 1 1
1 194 1 1 17 VAL CA C -0.037 3.646 -2.969 1.00 . A A . 17 VAL CA 1 1
1 195 1 1 17 VAL CB C -0.920 4.894 -3.185 1.00 . A A . 17 VAL CB 1 1
1 196 1 1 17 VAL CG1 C -0.845 5.354 -4.633 1.00 . A A . 17 VAL CG1 1 1
1 197 1 1 17 VAL CG2 C -2.362 4.623 -2.781 1.00 . A A . 17 VAL CG2 1 1
1 198 1 1 17 VAL H H -1.016 3.192 -1.149 1.00 . A A . 17 VAL H 1 1
1 199 1 1 17 VAL HA H -0.023 3.071 -3.885 1.00 . A A . 17 VAL HA 1 1
1 200 1 1 17 VAL HB H -0.539 5.689 -2.561 1.00 . A A . 17 VAL HB 1 1
1 201 1 1 17 VAL HG11 H -1.796 5.774 -4.926 1.00 . A A . 17 VAL HG11 1 1
1 202 1 1 17 VAL HG12 H -0.613 4.512 -5.267 1.00 . A A . 17 VAL HG12 1 1
1 203 1 1 17 VAL HG13 H -0.075 6.104 -4.733 1.00 . A A . 17 VAL HG13 1 1
1 204 1 1 17 VAL HG21 H -2.526 4.983 -1.777 1.00 . A A . 17 VAL HG21 1 1
1 205 1 1 17 VAL HG22 H -2.555 3.561 -2.819 1.00 . A A . 17 VAL HG22 1 1
1 206 1 1 17 VAL HG23 H -3.028 5.135 -3.459 1.00 . A A . 17 VAL HG23 1 1
1 207 1 1 17 VAL N N -0.539 2.790 -1.904 1.00 . A A . 17 VAL N 1 1
1 208 1 1 17 VAL O O 1.985 4.868 -3.396 1.00 . A A . 17 VAL O 1 1
1 209 1 1 18 VAL C C 3.930 2.802 -0.393 1.00 . A A . 18 VAL C 1 1
1 210 1 1 18 VAL CA C 3.255 3.972 -1.099 1.00 . A A . 18 VAL CA 1 1
1 211 1 1 18 VAL CB C 3.258 5.192 -0.157 1.00 . A A . 18 VAL CB 1 1
1 212 1 1 18 VAL CG1 C 4.653 5.791 -0.063 1.00 . A A . 18 VAL CG1 1 1
1 213 1 1 18 VAL CG2 C 2.252 6.235 -0.623 1.00 . A A . 18 VAL CG2 1 1
1 214 1 1 18 VAL H H 1.371 3.005 -0.966 1.00 . A A . 18 VAL H 1 1
1 215 1 1 18 VAL HA H 3.826 4.223 -1.981 1.00 . A A . 18 VAL HA 1 1
1 216 1 1 18 VAL HB H 2.969 4.858 0.828 1.00 . A A . 18 VAL HB 1 1
1 217 1 1 18 VAL HG11 H 5.250 5.447 -0.895 1.00 . A A . 18 VAL HG11 1 1
1 218 1 1 18 VAL HG12 H 5.116 5.483 0.863 1.00 . A A . 18 VAL HG12 1 1
1 219 1 1 18 VAL HG13 H 4.586 6.868 -0.090 1.00 . A A . 18 VAL HG13 1 1
1 220 1 1 18 VAL HG21 H 2.416 7.158 -0.086 1.00 . A A . 18 VAL HG21 1 1
1 221 1 1 18 VAL HG22 H 1.250 5.880 -0.431 1.00 . A A . 18 VAL HG22 1 1
1 222 1 1 18 VAL HG23 H 2.377 6.408 -1.681 1.00 . A A . 18 VAL HG23 1 1
1 223 1 1 18 VAL N N 1.906 3.618 -1.522 1.00 . A A . 18 VAL N 1 1
1 224 1 1 18 VAL O O 3.263 1.934 0.171 1.00 . A A . 18 VAL O 1 1
1 225 1 1 19 CYS C C 6.903 2.275 1.334 1.00 . A A . 19 CYS C 1 1
1 226 1 1 19 CYS CA C 6.029 1.725 0.207 1.00 . A A . 19 CYS CA 1 1
1 227 1 1 19 CYS CB C 6.901 1.012 -0.828 1.00 . A A . 19 CYS CB 1 1
1 228 1 1 19 CYS H H 5.727 3.509 -0.894 1.00 . A A . 19 CYS H 1 1
1 229 1 1 19 CYS HA H 5.331 1.015 0.625 1.00 . A A . 19 CYS HA 1 1
1 230 1 1 19 CYS HB2 H 7.760 1.627 -1.050 1.00 . A A . 19 CYS HB2 1 1
1 231 1 1 19 CYS HB3 H 7.236 0.070 -0.418 1.00 . A A . 19 CYS HB3 1 1
1 232 1 1 19 CYS N N 5.256 2.788 -0.428 1.00 . A A . 19 CYS N 1 1
1 233 1 1 19 CYS O O 7.444 1.513 2.136 1.00 . A A . 19 CYS O 1 1
1 234 1 1 19 CYS SG S 6.054 0.660 -2.403 1.00 . A A . 19 CYS SG 1 1
1 235 1 1 20 PHE C C 7.018 4.564 3.658 1.00 . A A . 20 PHE C 1 1
1 236 1 1 20 PHE CA C 7.851 4.240 2.419 1.00 . A A . 20 PHE CA 1 1
1 237 1 1 20 PHE CB C 8.489 5.520 1.871 1.00 . A A . 20 PHE CB 1 1
1 238 1 1 20 PHE CD1 C 9.595 4.269 -0.005 1.00 . A A . 20 PHE CD1 1 1
1 239 1 1 20 PHE CD2 C 8.720 6.442 -0.452 1.00 . A A . 20 PHE CD2 1 1
1 240 1 1 20 PHE CE1 C 10.014 4.164 -1.317 1.00 . A A . 20 PHE CE1 1 1
1 241 1 1 20 PHE CE2 C 9.136 6.343 -1.766 1.00 . A A . 20 PHE CE2 1 1
1 242 1 1 20 PHE CG C 8.944 5.408 0.443 1.00 . A A . 20 PHE CG 1 1
1 243 1 1 20 PHE CZ C 9.784 5.203 -2.199 1.00 . A A . 20 PHE CZ 1 1
1 244 1 1 20 PHE H H 6.589 4.155 0.724 1.00 . A A . 20 PHE H 1 1
1 245 1 1 20 PHE HA H 8.635 3.551 2.698 1.00 . A A . 20 PHE HA 1 1
1 246 1 1 20 PHE HB2 H 7.770 6.323 1.927 1.00 . A A . 20 PHE HB2 1 1
1 247 1 1 20 PHE HB3 H 9.348 5.772 2.476 1.00 . A A . 20 PHE HB3 1 1
1 248 1 1 20 PHE HD1 H 9.775 3.457 0.684 1.00 . A A . 20 PHE HD1 1 1
1 249 1 1 20 PHE HD2 H 8.214 7.334 -0.114 1.00 . A A . 20 PHE HD2 1 1
1 250 1 1 20 PHE HE1 H 10.521 3.272 -1.654 1.00 . A A . 20 PHE HE1 1 1
1 251 1 1 20 PHE HE2 H 8.956 7.156 -2.453 1.00 . A A . 20 PHE HE2 1 1
1 252 1 1 20 PHE HZ H 10.111 5.123 -3.226 1.00 . A A . 20 PHE HZ 1 1
1 253 1 1 20 PHE N N 7.041 3.598 1.389 1.00 . A A . 20 PHE N 1 1
1 254 1 1 20 PHE O O 7.569 4.845 4.721 1.00 . A A . 20 PHE O 1 1
1 255 1 1 21 DTR C C 4.435 3.531 5.387 1.00 . A A . 21 DTR C 1 1
1 256 1 1 21 DTR CA C 4.752 4.799 4.602 1.00 . A A . 21 DTR CA 1 1
1 257 1 1 21 DTR CB C 5.279 5.887 5.548 1.00 . A A . 21 DTR CB 1 1
1 258 1 1 21 DTR CD1 C 6.623 7.586 4.173 1.00 . A A . 21 DTR CD1 1 1
1 259 1 1 21 DTR CD2 C 4.614 8.319 4.837 1.00 . A A . 21 DTR CD2 1 1
1 260 1 1 21 DTR CE2 C 5.242 9.339 4.098 1.00 . A A . 21 DTR CE2 1 1
1 261 1 1 21 DTR CE3 C 3.338 8.552 5.357 1.00 . A A . 21 DTR CE3 1 1
1 262 1 1 21 DTR CG C 5.513 7.205 4.873 1.00 . A A . 21 DTR CG 1 1
1 263 1 1 21 DTR CH2 C 3.388 10.773 4.388 1.00 . A A . 21 DTR CH2 1 1
1 264 1 1 21 DTR CZ2 C 4.637 10.573 3.867 1.00 . A A . 21 DTR CZ2 1 1
1 265 1 1 21 DTR CZ3 C 2.738 9.777 5.127 1.00 . A A . 21 DTR CZ3 1 1
1 266 1 1 21 DTR H H 5.324 4.280 2.631 1.00 . A A . 21 DTR H 1 1
1 267 1 1 21 DTR HA H 3.835 5.151 4.151 1.00 . A A . 21 DTR HA 1 1
1 268 1 1 21 DTR HB2 H 4.558 6.044 6.336 1.00 . A A . 21 DTR HB2 1 1
1 269 1 1 21 DTR HB3 H 6.210 5.561 5.984 1.00 . A A . 21 DTR HB3 1 1
1 270 1 1 21 DTR HD1 H 7.490 6.962 4.019 1.00 . A A . 21 DTR HD1 1 1
1 271 1 1 21 DTR HE1 H 7.125 9.364 3.173 1.00 . A A . 21 DTR HE1 1 1
1 272 1 1 21 DTR HE3 H 2.821 7.796 5.930 1.00 . A A . 21 DTR HE3 1 1
1 273 1 1 21 DTR HH2 H 2.882 11.715 4.234 1.00 . A A . 21 DTR HH2 1 1
1 274 1 1 21 DTR HZ2 H 5.124 11.351 3.299 1.00 . A A . 21 DTR HZ2 1 1
1 275 1 1 21 DTR HZ3 H 1.753 9.975 5.522 1.00 . A A . 21 DTR HZ3 1 1
1 276 1 1 21 DTR N N 5.689 4.515 3.508 1.00 . A A . 21 DTR N 1 1
1 277 1 1 21 DTR NE1 N 6.467 8.868 3.704 1.00 . A A . 21 DTR NE1 1 1
2 278 1 1 1 CYS C C -5.999 0.050 1.250 1.00 . A A . 1 CYS C 1 1
2 279 1 1 1 CYS CA C -5.362 -1.082 2.057 1.00 . A A . 1 CYS CA 1 1
2 280 1 1 1 CYS CB C -6.324 -1.555 3.153 1.00 . A A . 1 CYS CB 1 1
2 281 1 1 1 CYS H1 H -3.973 0.323 2.608 1.00 . A A . 1 CYS H1 1 1
2 282 1 1 1 CYS HA H -5.150 -1.907 1.394 1.00 . A A . 1 CYS HA 1 1
2 283 1 1 1 CYS HB2 H -5.979 -2.504 3.537 1.00 . A A . 1 CYS HB2 1 1
2 284 1 1 1 CYS HB3 H -6.326 -0.831 3.955 1.00 . A A . 1 CYS HB3 1 1
2 285 1 1 1 CYS N N -4.100 -0.647 2.651 1.00 . A A . 1 CYS N 1 1
2 286 1 1 1 CYS O O -6.626 0.949 1.811 1.00 . A A . 1 CYS O 1 1
2 287 1 1 1 CYS SG S -8.050 -1.780 2.603 1.00 . A A . 1 CYS SG 1 1
2 288 1 1 2 LEU C C -6.799 0.403 -2.287 1.00 . A A . 2 LEU C 1 1
2 289 1 1 2 LEU CA C -6.384 1.015 -0.954 1.00 . A A . 2 LEU CA 1 1
2 290 1 1 2 LEU CB C -5.360 2.127 -1.190 1.00 . A A . 2 LEU CB 1 1
2 291 1 1 2 LEU CD1 C -3.555 3.420 -0.022 1.00 . A A . 2 LEU CD1 1 1
2 292 1 1 2 LEU CD2 C -5.944 4.139 0.186 1.00 . A A . 2 LEU CD2 1 1
2 293 1 1 2 LEU CG C -5.002 2.952 0.047 1.00 . A A . 2 LEU CG 1 1
2 294 1 1 2 LEU H H -5.319 -0.743 -0.451 1.00 . A A . 2 LEU H 1 1
2 295 1 1 2 LEU HA H -7.255 1.435 -0.479 1.00 . A A . 2 LEU HA 1 1
2 296 1 1 2 LEU HB2 H -4.455 1.678 -1.573 1.00 . A A . 2 LEU HB2 1 1
2 297 1 1 2 LEU HB3 H -5.754 2.797 -1.940 1.00 . A A . 2 LEU HB3 1 1
2 298 1 1 2 LEU HD11 H -3.498 4.461 0.258 1.00 . A A . 2 LEU HD11 1 1
2 299 1 1 2 LEU HD12 H -3.184 3.297 -1.028 1.00 . A A . 2 LEU HD12 1 1
2 300 1 1 2 LEU HD13 H -2.955 2.832 0.657 1.00 . A A . 2 LEU HD13 1 1
2 301 1 1 2 LEU HD21 H -6.870 3.925 -0.328 1.00 . A A . 2 LEU HD21 1 1
2 302 1 1 2 LEU HD22 H -5.486 5.016 -0.247 1.00 . A A . 2 LEU HD22 1 1
2 303 1 1 2 LEU HD23 H -6.147 4.318 1.231 1.00 . A A . 2 LEU HD23 1 1
2 304 1 1 2 LEU HG H -5.109 2.335 0.927 1.00 . A A . 2 LEU HG 1 1
2 305 1 1 2 LEU N N -5.830 -0.002 -0.067 1.00 . A A . 2 LEU N 1 1
2 306 1 1 2 LEU O O -6.523 -0.765 -2.559 1.00 . A A . 2 LEU O 1 1
2 307 1 1 3 GLY C C -6.789 0.761 -5.455 1.00 . A A . 3 GLY C 1 1
2 308 1 1 3 GLY CA C -7.896 0.717 -4.416 1.00 . A A . 3 GLY CA 1 1
2 309 1 1 3 GLY H H -7.650 2.124 -2.852 1.00 . A A . 3 GLY H 1 1
2 310 1 1 3 GLY HA2 H -8.236 -0.303 -4.311 1.00 . A A . 3 GLY HA2 1 1
2 311 1 1 3 GLY HA3 H -8.719 1.326 -4.757 1.00 . A A . 3 GLY HA3 1 1
2 312 1 1 3 GLY N N -7.460 1.200 -3.119 1.00 . A A . 3 GLY N 1 1
2 313 1 1 3 GLY O O -7.007 0.412 -6.615 1.00 . A A . 3 GLY O 1 1
2 314 1 1 4 VAL C C -3.640 -0.011 -5.912 1.00 . A A . 4 VAL C 1 1
2 315 1 1 4 VAL CA C -4.458 1.276 -5.944 1.00 . A A . 4 VAL CA 1 1
2 316 1 1 4 VAL CB C -3.543 2.464 -5.585 1.00 . A A . 4 VAL CB 1 1
2 317 1 1 4 VAL CG1 C -2.570 2.754 -6.718 1.00 . A A . 4 VAL CG1 1 1
2 318 1 1 4 VAL CG2 C -4.371 3.699 -5.257 1.00 . A A . 4 VAL CG2 1 1
2 319 1 1 4 VAL H H -5.486 1.454 -4.101 1.00 . A A . 4 VAL H 1 1
2 320 1 1 4 VAL HA H -4.836 1.428 -6.945 1.00 . A A . 4 VAL HA 1 1
2 321 1 1 4 VAL HB H -2.971 2.199 -4.709 1.00 . A A . 4 VAL HB 1 1
2 322 1 1 4 VAL HG11 H -3.098 2.733 -7.660 1.00 . A A . 4 VAL HG11 1 1
2 323 1 1 4 VAL HG12 H -1.792 2.006 -6.724 1.00 . A A . 4 VAL HG12 1 1
2 324 1 1 4 VAL HG13 H -2.131 3.730 -6.574 1.00 . A A . 4 VAL HG13 1 1
2 325 1 1 4 VAL HG21 H -4.516 3.762 -4.189 1.00 . A A . 4 VAL HG21 1 1
2 326 1 1 4 VAL HG22 H -5.331 3.629 -5.747 1.00 . A A . 4 VAL HG22 1 1
2 327 1 1 4 VAL HG23 H -3.854 4.582 -5.603 1.00 . A A . 4 VAL HG23 1 1
2 328 1 1 4 VAL N N -5.600 1.190 -5.039 1.00 . A A . 4 VAL N 1 1
2 329 1 1 4 VAL O O -3.777 -0.820 -4.997 1.00 . A A . 4 VAL O 1 1
2 330 1 1 5 GLY C C -0.496 -1.088 -7.166 1.00 . A A . 5 GLY C 1 1
2 331 1 1 5 GLY CA C -1.971 -1.393 -6.984 1.00 . A A . 5 GLY CA 1 1
2 332 1 1 5 GLY H H -2.727 0.477 -7.624 1.00 . A A . 5 GLY H 1 1
2 333 1 1 5 GLY HA2 H -2.100 -1.954 -6.070 1.00 . A A . 5 GLY HA2 1 1
2 334 1 1 5 GLY HA3 H -2.306 -1.999 -7.813 1.00 . A A . 5 GLY HA3 1 1
2 335 1 1 5 GLY N N -2.792 -0.198 -6.919 1.00 . A A . 5 GLY N 1 1
2 336 1 1 5 GLY O O 0.203 -1.795 -7.891 1.00 . A A . 5 GLY O 1 1
2 337 1 1 6 SER C C 2.205 -0.359 -5.517 1.00 . A A . 6 SER C 1 1
2 338 1 1 6 SER CA C 1.387 0.345 -6.596 1.00 . A A . 6 SER CA 1 1
2 339 1 1 6 SER CB C 1.535 1.862 -6.459 1.00 . A A . 6 SER CB 1 1
2 340 1 1 6 SER H H -0.621 0.486 -5.934 1.00 . A A . 6 SER H 1 1
2 341 1 1 6 SER HA H 1.752 0.040 -7.565 1.00 . A A . 6 SER HA 1 1
2 342 1 1 6 SER HB2 H 0.595 2.336 -6.701 1.00 . A A . 6 SER HB2 1 1
2 343 1 1 6 SER HB3 H 1.809 2.105 -5.443 1.00 . A A . 6 SER HB3 1 1
2 344 1 1 6 SER HG H 3.401 2.123 -6.996 1.00 . A A . 6 SER HG 1 1
2 345 1 1 6 SER N N -0.018 -0.039 -6.503 1.00 . A A . 6 SER N 1 1
2 346 1 1 6 SER O O 3.349 -0.753 -5.744 1.00 . A A . 6 SER O 1 1
2 347 1 1 6 SER OG O 2.533 2.358 -7.333 1.00 . A A . 6 SER OG 1 1
2 348 1 1 7 CYS C C 1.207 -1.867 -2.347 1.00 . A A . 7 CYS C 1 1
2 349 1 1 7 CYS CA C 2.250 -1.180 -3.221 1.00 . A A . 7 CYS CA 1 1
2 350 1 1 7 CYS CB C 3.052 -0.168 -2.398 1.00 . A A . 7 CYS CB 1 1
2 351 1 1 7 CYS H H 0.685 -0.185 -4.236 1.00 . A A . 7 CYS H 1 1
2 352 1 1 7 CYS HA H 2.921 -1.928 -3.616 1.00 . A A . 7 CYS HA 1 1
2 353 1 1 7 CYS HB2 H 3.243 0.706 -3.002 1.00 . A A . 7 CYS HB2 1 1
2 354 1 1 7 CYS HB3 H 2.475 0.118 -1.531 1.00 . A A . 7 CYS HB3 1 1
2 355 1 1 7 CYS N N 1.600 -0.518 -4.346 1.00 . A A . 7 CYS N 1 1
2 356 1 1 7 CYS O O 0.079 -2.095 -2.783 1.00 . A A . 7 CYS O 1 1
2 357 1 1 7 CYS SG S 4.660 -0.797 -1.811 1.00 . A A . 7 CYS SG 1 1
2 358 1 1 8 VAL C C 0.704 -2.227 1.184 1.00 . A A . 8 VAL C 1 1
2 359 1 1 8 VAL CA C 0.654 -2.851 -0.200 1.00 . A A . 8 VAL CA 1 1
2 360 1 1 8 VAL CB C 0.957 -4.349 -0.053 1.00 . A A . 8 VAL CB 1 1
2 361 1 1 8 VAL CG1 C -0.200 -5.074 0.619 1.00 . A A . 8 VAL CG1 1 1
2 362 1 1 8 VAL CG2 C 1.282 -4.975 -1.400 1.00 . A A . 8 VAL CG2 1 1
2 363 1 1 8 VAL H H 2.488 -1.989 -0.814 1.00 . A A . 8 VAL H 1 1
2 364 1 1 8 VAL HA H -0.344 -2.744 -0.598 1.00 . A A . 8 VAL HA 1 1
2 365 1 1 8 VAL HB H 1.817 -4.445 0.584 1.00 . A A . 8 VAL HB 1 1
2 366 1 1 8 VAL HG11 H 0.137 -5.501 1.553 1.00 . A A . 8 VAL HG11 1 1
2 367 1 1 8 VAL HG12 H -0.558 -5.862 -0.027 1.00 . A A . 8 VAL HG12 1 1
2 368 1 1 8 VAL HG13 H -1.000 -4.377 0.812 1.00 . A A . 8 VAL HG13 1 1
2 369 1 1 8 VAL HG21 H 2.352 -4.978 -1.547 1.00 . A A . 8 VAL HG21 1 1
2 370 1 1 8 VAL HG22 H 0.811 -4.402 -2.185 1.00 . A A . 8 VAL HG22 1 1
2 371 1 1 8 VAL HG23 H 0.913 -5.990 -1.423 1.00 . A A . 8 VAL HG23 1 1
2 372 1 1 8 VAL N N 1.578 -2.194 -1.115 1.00 . A A . 8 VAL N 1 1
2 373 1 1 8 VAL O O 1.749 -1.761 1.637 1.00 . A A . 8 VAL O 1 1
2 374 1 1 9 ASP C C -0.544 -2.819 4.240 1.00 . A A . 9 ASP C 1 1
2 375 1 1 9 ASP CA C -0.541 -1.698 3.205 1.00 . A A . 9 ASP CA 1 1
2 376 1 1 9 ASP CB C -1.801 -0.837 3.366 1.00 . A A . 9 ASP CB 1 1
2 377 1 1 9 ASP CG C -3.031 -1.440 2.712 1.00 . A A . 9 ASP CG 1 1
2 378 1 1 9 ASP H H -1.220 -2.642 1.429 1.00 . A A . 9 ASP H 1 1
2 379 1 1 9 ASP HA H 0.327 -1.078 3.374 1.00 . A A . 9 ASP HA 1 1
2 380 1 1 9 ASP HB2 H -2.007 -0.712 4.418 1.00 . A A . 9 ASP HB2 1 1
2 381 1 1 9 ASP HB3 H -1.623 0.134 2.926 1.00 . A A . 9 ASP HB3 1 1
2 382 1 1 9 ASP N N -0.436 -2.243 1.854 1.00 . A A . 9 ASP N 1 1
2 383 1 1 9 ASP O O -0.269 -2.590 5.417 1.00 . A A . 9 ASP O 1 1
2 384 1 1 9 ASP OD1 O -3.020 -2.592 2.277 1.00 . A A . 9 ASP OD1 1 1
2 385 1 1 10 PHE C C -1.920 -4.996 5.781 1.00 . A A . 10 PHE C 1 1
2 386 1 1 10 PHE CA C -0.886 -5.189 4.679 1.00 . A A . 10 PHE CA 1 1
2 387 1 1 10 PHE CB C 0.492 -5.433 5.300 1.00 . A A . 10 PHE CB 1 1
2 388 1 1 10 PHE CD1 C 2.034 -5.825 3.358 1.00 . A A . 10 PHE CD1 1 1
2 389 1 1 10 PHE CD2 C 2.319 -3.840 4.648 1.00 . A A . 10 PHE CD2 1 1
2 390 1 1 10 PHE CE1 C 3.088 -5.451 2.545 1.00 . A A . 10 PHE CE1 1 1
2 391 1 1 10 PHE CE2 C 3.373 -3.461 3.839 1.00 . A A . 10 PHE CE2 1 1
2 392 1 1 10 PHE CG C 1.638 -5.025 4.417 1.00 . A A . 10 PHE CG 1 1
2 393 1 1 10 PHE CZ C 3.758 -4.268 2.786 1.00 . A A . 10 PHE CZ 1 1
2 394 1 1 10 PHE H H -1.061 -4.155 2.843 1.00 . A A . 10 PHE H 1 1
2 395 1 1 10 PHE HA H -1.164 -6.049 4.090 1.00 . A A . 10 PHE HA 1 1
2 396 1 1 10 PHE HB2 H 0.567 -4.874 6.220 1.00 . A A . 10 PHE HB2 1 1
2 397 1 1 10 PHE HB3 H 0.597 -6.486 5.516 1.00 . A A . 10 PHE HB3 1 1
2 398 1 1 10 PHE HD1 H 1.510 -6.751 3.168 1.00 . A A . 10 PHE HD1 1 1
2 399 1 1 10 PHE HD2 H 2.018 -3.209 5.471 1.00 . A A . 10 PHE HD2 1 1
2 400 1 1 10 PHE HE1 H 3.387 -6.084 1.722 1.00 . A A . 10 PHE HE1 1 1
2 401 1 1 10 PHE HE2 H 3.895 -2.535 4.030 1.00 . A A . 10 PHE HE2 1 1
2 402 1 1 10 PHE HZ H 4.582 -3.974 2.152 1.00 . A A . 10 PHE HZ 1 1
2 403 1 1 10 PHE N N -0.853 -4.033 3.792 1.00 . A A . 10 PHE N 1 1
2 404 1 1 10 PHE O O -1.764 -5.508 6.889 1.00 . A A . 10 PHE O 1 1
2 405 1 1 11 ALA C C -5.211 -4.949 6.218 1.00 . A A . 11 ALA C 1 1
2 406 1 1 11 ALA CA C -4.038 -4.003 6.433 1.00 . A A . 11 ALA CA 1 1
2 407 1 1 11 ALA CB C -4.497 -2.555 6.349 1.00 . A A . 11 ALA CB 1 1
2 408 1 1 11 ALA H H -3.048 -3.878 4.567 1.00 . A A . 11 ALA H 1 1
2 409 1 1 11 ALA HA H -3.634 -4.173 7.418 1.00 . A A . 11 ALA HA 1 1
2 410 1 1 11 ALA HB1 H -5.006 -2.285 7.262 1.00 . A A . 11 ALA HB1 1 1
2 411 1 1 11 ALA HB2 H -5.172 -2.439 5.513 1.00 . A A . 11 ALA HB2 1 1
2 412 1 1 11 ALA HB3 H -3.640 -1.913 6.210 1.00 . A A . 11 ALA HB3 1 1
2 413 1 1 11 ALA N N -2.978 -4.257 5.468 1.00 . A A . 11 ALA N 1 1
2 414 1 1 11 ALA O O -6.352 -4.629 6.551 1.00 . A A . 11 ALA O 1 1
2 415 1 1 12 GLY C C -6.362 -7.146 3.947 1.00 . A A . 12 GLY C 1 1
2 416 1 1 12 GLY CA C -5.958 -7.097 5.406 1.00 . A A . 12 GLY CA 1 1
2 417 1 1 12 GLY H H -3.990 -6.312 5.414 1.00 . A A . 12 GLY H 1 1
2 418 1 1 12 GLY HA2 H -5.598 -8.072 5.702 1.00 . A A . 12 GLY HA2 1 1
2 419 1 1 12 GLY HA3 H -6.825 -6.850 6.000 1.00 . A A . 12 GLY HA3 1 1
2 420 1 1 12 GLY N N -4.920 -6.116 5.658 1.00 . A A . 12 GLY N 1 1
2 421 1 1 12 GLY O O -6.668 -8.213 3.415 1.00 . A A . 12 GLY O 1 1
2 422 1 1 13 CYS C C -5.531 -6.290 1.015 1.00 . A A . 13 CYS C 1 1
2 423 1 1 13 CYS CA C -6.716 -5.902 1.888 1.00 . A A . 13 CYS CA 1 1
2 424 1 1 13 CYS CB C -7.184 -4.487 1.544 1.00 . A A . 13 CYS CB 1 1
2 425 1 1 13 CYS H H -6.095 -5.173 3.776 1.00 . A A . 13 CYS H 1 1
2 426 1 1 13 CYS HA H -7.525 -6.595 1.709 1.00 . A A . 13 CYS HA 1 1
2 427 1 1 13 CYS HB2 H -6.326 -3.833 1.497 1.00 . A A . 13 CYS HB2 1 1
2 428 1 1 13 CYS HB3 H -7.674 -4.502 0.582 1.00 . A A . 13 CYS HB3 1 1
2 429 1 1 13 CYS N N -6.355 -5.988 3.297 1.00 . A A . 13 CYS N 1 1
2 430 1 1 13 CYS O O -5.645 -7.146 0.137 1.00 . A A . 13 CYS O 1 1
2 431 1 1 13 CYS SG S -8.352 -3.781 2.751 1.00 . A A . 13 CYS SG 1 1
2 432 1 1 14 GLY C C -2.921 -4.975 -0.596 1.00 . A A . 14 GLY C 1 1
2 433 1 1 14 GLY CA C -3.191 -5.969 0.517 1.00 . A A . 14 GLY CA 1 1
2 434 1 1 14 GLY H H -4.354 -5.001 1.994 1.00 . A A . 14 GLY H 1 1
2 435 1 1 14 GLY HA2 H -2.349 -5.975 1.191 1.00 . A A . 14 GLY HA2 1 1
2 436 1 1 14 GLY HA3 H -3.296 -6.954 0.085 1.00 . A A . 14 GLY HA3 1 1
2 437 1 1 14 GLY N N -4.388 -5.666 1.274 1.00 . A A . 14 GLY N 1 1
2 438 1 1 14 GLY O O -2.437 -5.353 -1.663 1.00 . A A . 14 GLY O 1 1
2 439 1 1 15 TYR C C -2.711 -1.310 -0.743 1.00 . A A . 15 TYR C 1 1
2 440 1 1 15 TYR CA C -2.998 -2.675 -1.367 1.00 . A A . 15 TYR CA 1 1
2 441 1 1 15 TYR CB C -4.203 -2.571 -2.304 1.00 . A A . 15 TYR CB 1 1
2 442 1 1 15 TYR CD1 C -5.487 -4.742 -2.201 1.00 . A A . 15 TYR CD1 1 1
2 443 1 1 15 TYR CD2 C -4.188 -4.294 -4.149 1.00 . A A . 15 TYR CD2 1 1
2 444 1 1 15 TYR CE1 C -5.885 -5.951 -2.739 1.00 . A A . 15 TYR CE1 1 1
2 445 1 1 15 TYR CE2 C -4.582 -5.501 -4.694 1.00 . A A . 15 TYR CE2 1 1
2 446 1 1 15 TYR CG C -4.633 -3.894 -2.895 1.00 . A A . 15 TYR CG 1 1
2 447 1 1 15 TYR CZ C -5.430 -6.325 -3.985 1.00 . A A . 15 TYR CZ 1 1
2 448 1 1 15 TYR H H -3.608 -3.451 0.510 1.00 . A A . 15 TYR H 1 1
2 449 1 1 15 TYR HA H -2.137 -2.974 -1.945 1.00 . A A . 15 TYR HA 1 1
2 450 1 1 15 TYR HB2 H -5.039 -2.166 -1.758 1.00 . A A . 15 TYR HB2 1 1
2 451 1 1 15 TYR HB3 H -3.957 -1.907 -3.120 1.00 . A A . 15 TYR HB3 1 1
2 452 1 1 15 TYR HD1 H -5.842 -4.445 -1.225 1.00 . A A . 15 TYR HD1 1 1
2 453 1 1 15 TYR HD2 H -3.523 -3.646 -4.701 1.00 . A A . 15 TYR HD2 1 1
2 454 1 1 15 TYR HE1 H -6.550 -6.595 -2.184 1.00 . A A . 15 TYR HE1 1 1
2 455 1 1 15 TYR HE2 H -4.225 -5.794 -5.670 1.00 . A A . 15 TYR HE2 1 1
2 456 1 1 15 TYR HH H -6.770 -7.639 -4.403 1.00 . A A . 15 TYR HH 1 1
2 457 1 1 15 TYR N N -3.227 -3.702 -0.357 1.00 . A A . 15 TYR N 1 1
2 458 1 1 15 TYR O O -3.472 -0.817 0.086 1.00 . A A . 15 TYR O 1 1
2 459 1 1 15 TYR OH O -5.824 -7.528 -4.525 1.00 . A A . 15 TYR OH 1 1
2 460 1 1 16 ALA C C -0.482 1.395 -1.767 1.00 . A A . 16 ALA C 1 1
2 461 1 1 16 ALA CA C -1.200 0.611 -0.682 1.00 . A A . 16 ALA CA 1 1
2 462 1 1 16 ALA CB C -0.304 0.482 0.536 1.00 . A A . 16 ALA CB 1 1
2 463 1 1 16 ALA H H -1.051 -1.156 -1.830 1.00 . A A . 16 ALA H 1 1
2 464 1 1 16 ALA HA H -2.082 1.157 -0.391 1.00 . A A . 16 ALA HA 1 1
2 465 1 1 16 ALA HB1 H -0.777 -0.157 1.261 1.00 . A A . 16 ALA HB1 1 1
2 466 1 1 16 ALA HB2 H -0.141 1.458 0.969 1.00 . A A . 16 ALA HB2 1 1
2 467 1 1 16 ALA HB3 H 0.644 0.056 0.243 1.00 . A A . 16 ALA HB3 1 1
2 468 1 1 16 ALA N N -1.607 -0.705 -1.167 1.00 . A A . 16 ALA N 1 1
2 469 1 1 16 ALA O O 0.224 0.823 -2.599 1.00 . A A . 16 ALA O 1 1
2 470 1 1 17 VAL C C 1.383 3.985 -2.174 1.00 . A A . 17 VAL C 1 1
2 471 1 1 17 VAL CA C 0.013 3.576 -2.702 1.00 . A A . 17 VAL CA 1 1
2 472 1 1 17 VAL CB C -0.813 4.845 -2.991 1.00 . A A . 17 VAL CB 1 1
2 473 1 1 17 VAL CG1 C -0.288 5.552 -4.231 1.00 . A A . 17 VAL CG1 1 1
2 474 1 1 17 VAL CG2 C -2.289 4.504 -3.146 1.00 . A A . 17 VAL CG2 1 1
2 475 1 1 17 VAL H H -1.203 3.109 -1.038 1.00 . A A . 17 VAL H 1 1
2 476 1 1 17 VAL HA H 0.136 3.024 -3.624 1.00 . A A . 17 VAL HA 1 1
2 477 1 1 17 VAL HB H -0.708 5.516 -2.151 1.00 . A A . 17 VAL HB 1 1
2 478 1 1 17 VAL HG11 H 0.530 6.201 -3.956 1.00 . A A . 17 VAL HG11 1 1
2 479 1 1 17 VAL HG12 H -1.079 6.139 -4.673 1.00 . A A . 17 VAL HG12 1 1
2 480 1 1 17 VAL HG13 H 0.058 4.819 -4.945 1.00 . A A . 17 VAL HG13 1 1
2 481 1 1 17 VAL HG21 H -2.691 5.025 -4.003 1.00 . A A . 17 VAL HG21 1 1
2 482 1 1 17 VAL HG22 H -2.823 4.807 -2.258 1.00 . A A . 17 VAL HG22 1 1
2 483 1 1 17 VAL HG23 H -2.400 3.439 -3.288 1.00 . A A . 17 VAL HG23 1 1
2 484 1 1 17 VAL N N -0.644 2.710 -1.737 1.00 . A A . 17 VAL N 1 1
2 485 1 1 17 VAL O O 2.110 4.745 -2.815 1.00 . A A . 17 VAL O 1 1
2 486 1 1 18 VAL C C 3.682 2.474 0.100 1.00 . A A . 18 VAL C 1 1
2 487 1 1 18 VAL CA C 3.007 3.759 -0.367 1.00 . A A . 18 VAL CA 1 1
2 488 1 1 18 VAL CB C 2.841 4.734 0.824 1.00 . A A . 18 VAL CB 1 1
2 489 1 1 18 VAL CG1 C 1.595 4.397 1.628 1.00 . A A . 18 VAL CG1 1 1
2 490 1 1 18 VAL CG2 C 4.072 4.744 1.724 1.00 . A A . 18 VAL CG2 1 1
2 491 1 1 18 VAL H H 1.097 2.860 -0.538 1.00 . A A . 18 VAL H 1 1
2 492 1 1 18 VAL HA H 3.637 4.233 -1.107 1.00 . A A . 18 VAL HA 1 1
2 493 1 1 18 VAL HB H 2.721 5.725 0.421 1.00 . A A . 18 VAL HB 1 1
2 494 1 1 18 VAL HG11 H 1.759 4.641 2.667 1.00 . A A . 18 VAL HG11 1 1
2 495 1 1 18 VAL HG12 H 1.381 3.343 1.536 1.00 . A A . 18 VAL HG12 1 1
2 496 1 1 18 VAL HG13 H 0.759 4.968 1.252 1.00 . A A . 18 VAL HG13 1 1
2 497 1 1 18 VAL HG21 H 4.940 5.024 1.146 1.00 . A A . 18 VAL HG21 1 1
2 498 1 1 18 VAL HG22 H 4.220 3.760 2.144 1.00 . A A . 18 VAL HG22 1 1
2 499 1 1 18 VAL HG23 H 3.927 5.457 2.522 1.00 . A A . 18 VAL HG23 1 1
2 500 1 1 18 VAL N N 1.726 3.465 -0.996 1.00 . A A . 18 VAL N 1 1
2 501 1 1 18 VAL O O 3.032 1.441 0.261 1.00 . A A . 18 VAL O 1 1
2 502 1 1 19 CYS C C 6.557 1.716 2.016 1.00 . A A . 19 CYS C 1 1
2 503 1 1 19 CYS CA C 5.758 1.393 0.757 1.00 . A A . 19 CYS CA 1 1
2 504 1 1 19 CYS CB C 6.695 0.920 -0.355 1.00 . A A . 19 CYS CB 1 1
2 505 1 1 19 CYS H H 5.443 3.405 0.162 1.00 . A A . 19 CYS H 1 1
2 506 1 1 19 CYS HA H 5.061 0.604 0.986 1.00 . A A . 19 CYS HA 1 1
2 507 1 1 19 CYS HB2 H 7.518 1.612 -0.441 1.00 . A A . 19 CYS HB2 1 1
2 508 1 1 19 CYS HB3 H 7.078 -0.057 -0.102 1.00 . A A . 19 CYS HB3 1 1
2 509 1 1 19 CYS N N 4.988 2.549 0.311 1.00 . A A . 19 CYS N 1 1
2 510 1 1 19 CYS O O 6.625 0.909 2.943 1.00 . A A . 19 CYS O 1 1
2 511 1 1 19 CYS SG S 5.902 0.799 -1.992 1.00 . A A . 19 CYS SG 1 1
2 512 1 1 20 PHE C C 7.390 4.620 3.787 1.00 . A A . 20 PHE C 1 1
2 513 1 1 20 PHE CA C 7.947 3.330 3.195 1.00 . A A . 20 PHE CA 1 1
2 514 1 1 20 PHE CB C 9.419 3.524 2.808 1.00 . A A . 20 PHE CB 1 1
2 515 1 1 20 PHE CD1 C 9.476 2.838 0.394 1.00 . A A . 20 PHE CD1 1 1
2 516 1 1 20 PHE CD2 C 10.015 5.096 0.940 1.00 . A A . 20 PHE CD2 1 1
2 517 1 1 20 PHE CE1 C 9.680 3.110 -0.946 1.00 . A A . 20 PHE CE1 1 1
2 518 1 1 20 PHE CE2 C 10.221 5.374 -0.398 1.00 . A A . 20 PHE CE2 1 1
2 519 1 1 20 PHE CG C 9.640 3.826 1.351 1.00 . A A . 20 PHE CG 1 1
2 520 1 1 20 PHE CZ C 10.053 4.380 -1.342 1.00 . A A . 20 PHE CZ 1 1
2 521 1 1 20 PHE H H 7.061 3.500 1.277 1.00 . A A . 20 PHE H 1 1
2 522 1 1 20 PHE HA H 7.883 2.557 3.942 1.00 . A A . 20 PHE HA 1 1
2 523 1 1 20 PHE HB2 H 9.827 4.345 3.378 1.00 . A A . 20 PHE HB2 1 1
2 524 1 1 20 PHE HB3 H 9.966 2.623 3.047 1.00 . A A . 20 PHE HB3 1 1
2 525 1 1 20 PHE HD1 H 9.183 1.846 0.702 1.00 . A A . 20 PHE HD1 1 1
2 526 1 1 20 PHE HD2 H 10.147 5.873 1.678 1.00 . A A . 20 PHE HD2 1 1
2 527 1 1 20 PHE HE1 H 9.548 2.331 -1.682 1.00 . A A . 20 PHE HE1 1 1
2 528 1 1 20 PHE HE2 H 10.512 6.367 -0.705 1.00 . A A . 20 PHE HE2 1 1
2 529 1 1 20 PHE HZ H 10.213 4.595 -2.388 1.00 . A A . 20 PHE HZ 1 1
2 530 1 1 20 PHE N N 7.156 2.900 2.045 1.00 . A A . 20 PHE N 1 1
2 531 1 1 20 PHE O O 6.858 4.623 4.896 1.00 . A A . 20 PHE O 1 1
2 532 1 1 21 DTR C C 5.596 7.246 3.014 1.00 . A A . 21 DTR C 1 1
2 533 1 1 21 DTR CA C 7.042 7.030 3.448 1.00 . A A . 21 DTR CA 1 1
2 534 1 1 21 DTR CB C 7.171 7.227 4.965 1.00 . A A . 21 DTR CB 1 1
2 535 1 1 21 DTR CD1 C 9.611 6.449 4.819 1.00 . A A . 21 DTR CD1 1 1
2 536 1 1 21 DTR CD2 C 8.801 6.551 6.904 1.00 . A A . 21 DTR CD2 1 1
2 537 1 1 21 DTR CE2 C 10.138 6.114 6.963 1.00 . A A . 21 DTR CE2 1 1
2 538 1 1 21 DTR CE3 C 8.085 6.692 8.096 1.00 . A A . 21 DTR CE3 1 1
2 539 1 1 21 DTR CG C 8.483 6.760 5.523 1.00 . A A . 21 DTR CG 1 1
2 540 1 1 21 DTR CH2 C 10.047 5.964 9.318 1.00 . A A . 21 DTR CH2 1 1
2 541 1 1 21 DTR CZ2 C 10.772 5.817 8.167 1.00 . A A . 21 DTR CZ2 1 1
2 542 1 1 21 DTR CZ3 C 8.715 6.397 9.290 1.00 . A A . 21 DTR CZ3 1 1
2 543 1 1 21 DTR H H 7.955 5.620 2.159 1.00 . A A . 21 DTR H 1 1
2 544 1 1 21 DTR HA H 7.658 7.766 2.951 1.00 . A A . 21 DTR HA 1 1
2 545 1 1 21 DTR HB2 H 7.070 8.277 5.194 1.00 . A A . 21 DTR HB2 1 1
2 546 1 1 21 DTR HB3 H 6.383 6.680 5.461 1.00 . A A . 21 DTR HB3 1 1
2 547 1 1 21 DTR HD1 H 9.692 6.505 3.743 1.00 . A A . 21 DTR HD1 1 1
2 548 1 1 21 DTR HE1 H 11.514 5.788 5.413 1.00 . A A . 21 DTR HE1 1 1
2 549 1 1 21 DTR HE3 H 7.057 7.024 8.094 1.00 . A A . 21 DTR HE3 1 1
2 550 1 1 21 DTR HH2 H 10.499 5.744 10.274 1.00 . A A . 21 DTR HH2 1 1
2 551 1 1 21 DTR HZ2 H 11.798 5.483 8.205 1.00 . A A . 21 DTR HZ2 1 1
2 552 1 1 21 DTR HZ3 H 8.177 6.499 10.221 1.00 . A A . 21 DTR HZ3 1 1
2 553 1 1 21 DTR N N 7.521 5.708 3.031 1.00 . A A . 21 DTR N 1 1
2 554 1 1 21 DTR NE1 N 10.611 6.060 5.678 1.00 . A A . 21 DTR NE1 1 1
3 555 1 1 1 CYS C C -6.055 0.026 1.235 1.00 . A A . 1 CYS C 1 1
3 556 1 1 1 CYS CA C -5.345 -1.042 2.067 1.00 . A A . 1 CYS CA 1 1
3 557 1 1 1 CYS CB C -6.266 -1.541 3.190 1.00 . A A . 1 CYS CB 1 1
3 558 1 1 1 CYS H1 H -4.055 0.461 2.573 1.00 . A A . 1 CYS H1 1 1
3 559 1 1 1 CYS HA H -5.091 -1.872 1.425 1.00 . A A . 1 CYS HA 1 1
3 560 1 1 1 CYS HB2 H -5.923 -2.510 3.519 1.00 . A A . 1 CYS HB2 1 1
3 561 1 1 1 CYS HB3 H -6.214 -0.849 4.018 1.00 . A A . 1 CYS HB3 1 1
3 562 1 1 1 CYS N N -4.105 -0.516 2.631 1.00 . A A . 1 CYS N 1 1
3 563 1 1 1 CYS O O -6.730 0.902 1.775 1.00 . A A . 1 CYS O 1 1
3 564 1 1 1 CYS SG S -8.022 -1.711 2.718 1.00 . A A . 1 CYS SG 1 1
3 565 1 1 2 LEU C C -6.821 0.255 -2.336 1.00 . A A . 2 LEU C 1 1
3 566 1 1 2 LEU CA C -6.515 0.901 -0.989 1.00 . A A . 2 LEU CA 1 1
3 567 1 1 2 LEU CB C -5.604 2.115 -1.182 1.00 . A A . 2 LEU CB 1 1
3 568 1 1 2 LEU CD1 C -4.130 3.874 -0.172 1.00 . A A . 2 LEU CD1 1 1
3 569 1 1 2 LEU CD2 C -6.395 3.442 0.792 1.00 . A A . 2 LEU CD2 1 1
3 570 1 1 2 LEU CG C -5.186 2.819 0.111 1.00 . A A . 2 LEU CG 1 1
3 571 1 1 2 LEU H H -5.342 -0.775 -0.449 1.00 . A A . 2 LEU H 1 1
3 572 1 1 2 LEU HA H -7.441 1.227 -0.546 1.00 . A A . 2 LEU HA 1 1
3 573 1 1 2 LEU HB2 H -4.711 1.790 -1.697 1.00 . A A . 2 LEU HB2 1 1
3 574 1 1 2 LEU HB3 H -6.119 2.830 -1.805 1.00 . A A . 2 LEU HB3 1 1
3 575 1 1 2 LEU HD11 H -3.856 4.366 0.749 1.00 . A A . 2 LEU HD11 1 1
3 576 1 1 2 LEU HD12 H -4.525 4.602 -0.865 1.00 . A A . 2 LEU HD12 1 1
3 577 1 1 2 LEU HD13 H -3.258 3.404 -0.603 1.00 . A A . 2 LEU HD13 1 1
3 578 1 1 2 LEU HD21 H -6.299 3.337 1.863 1.00 . A A . 2 LEU HD21 1 1
3 579 1 1 2 LEU HD22 H -7.293 2.942 0.461 1.00 . A A . 2 LEU HD22 1 1
3 580 1 1 2 LEU HD23 H -6.452 4.490 0.537 1.00 . A A . 2 LEU HD23 1 1
3 581 1 1 2 LEU HG H -4.758 2.093 0.786 1.00 . A A . 2 LEU HG 1 1
3 582 1 1 2 LEU N N -5.893 -0.055 -0.081 1.00 . A A . 2 LEU N 1 1
3 583 1 1 2 LEU O O -6.439 -0.888 -2.589 1.00 . A A . 2 LEU O 1 1
3 584 1 1 3 GLY C C -6.700 0.540 -5.490 1.00 . A A . 3 GLY C 1 1
3 585 1 1 3 GLY CA C -7.857 0.480 -4.508 1.00 . A A . 3 GLY CA 1 1
3 586 1 1 3 GLY H H -7.788 1.900 -2.939 1.00 . A A . 3 GLY H 1 1
3 587 1 1 3 GLY HA2 H -8.173 -0.548 -4.406 1.00 . A A . 3 GLY HA2 1 1
3 588 1 1 3 GLY HA3 H -8.679 1.059 -4.904 1.00 . A A . 3 GLY HA3 1 1
3 589 1 1 3 GLY N N -7.511 0.995 -3.197 1.00 . A A . 3 GLY N 1 1
3 590 1 1 3 GLY O O -6.859 0.205 -6.663 1.00 . A A . 3 GLY O 1 1
3 591 1 1 4 VAL C C -3.560 -0.238 -5.850 1.00 . A A . 4 VAL C 1 1
3 592 1 1 4 VAL CA C -4.352 1.066 -5.865 1.00 . A A . 4 VAL CA 1 1
3 593 1 1 4 VAL CB C -3.434 2.223 -5.422 1.00 . A A . 4 VAL CB 1 1
3 594 1 1 4 VAL CG1 C -2.423 2.554 -6.510 1.00 . A A . 4 VAL CG1 1 1
3 595 1 1 4 VAL CG2 C -4.256 3.452 -5.063 1.00 . A A . 4 VAL CG2 1 1
3 596 1 1 4 VAL H H -5.463 1.223 -4.069 1.00 . A A . 4 VAL H 1 1
3 597 1 1 4 VAL HA H -4.684 1.263 -6.874 1.00 . A A . 4 VAL HA 1 1
3 598 1 1 4 VAL HB H -2.892 1.910 -4.542 1.00 . A A . 4 VAL HB 1 1
3 599 1 1 4 VAL HG11 H -2.219 3.615 -6.501 1.00 . A A . 4 VAL HG11 1 1
3 600 1 1 4 VAL HG12 H -2.825 2.273 -7.472 1.00 . A A . 4 VAL HG12 1 1
3 601 1 1 4 VAL HG13 H -1.508 2.010 -6.329 1.00 . A A . 4 VAL HG13 1 1
3 602 1 1 4 VAL HG21 H -3.701 4.343 -5.315 1.00 . A A . 4 VAL HG21 1 1
3 603 1 1 4 VAL HG22 H -4.467 3.447 -4.004 1.00 . A A . 4 VAL HG22 1 1
3 604 1 1 4 VAL HG23 H -5.185 3.438 -5.615 1.00 . A A . 4 VAL HG23 1 1
3 605 1 1 4 VAL N N -5.533 0.967 -5.013 1.00 . A A . 4 VAL N 1 1
3 606 1 1 4 VAL O O -3.759 -1.084 -4.980 1.00 . A A . 4 VAL O 1 1
3 607 1 1 5 GLY C C -0.392 -1.328 -7.120 1.00 . A A . 5 GLY C 1 1
3 608 1 1 5 GLY CA C -1.867 -1.608 -6.898 1.00 . A A . 5 GLY CA 1 1
3 609 1 1 5 GLY H H -2.553 0.304 -7.491 1.00 . A A . 5 GLY H 1 1
3 610 1 1 5 GLY HA2 H -1.980 -2.160 -5.976 1.00 . A A . 5 GLY HA2 1 1
3 611 1 1 5 GLY HA3 H -2.232 -2.215 -7.713 1.00 . A A . 5 GLY HA3 1 1
3 612 1 1 5 GLY N N -2.666 -0.399 -6.821 1.00 . A A . 5 GLY N 1 1
3 613 1 1 5 GLY O O 0.295 -2.093 -7.796 1.00 . A A . 5 GLY O 1 1
3 614 1 1 6 SER C C 2.328 -0.471 -5.551 1.00 . A A . 6 SER C 1 1
3 615 1 1 6 SER CA C 1.503 0.136 -6.682 1.00 . A A . 6 SER CA 1 1
3 616 1 1 6 SER CB C 1.656 1.658 -6.682 1.00 . A A . 6 SER CB 1 1
3 617 1 1 6 SER H H -0.497 0.335 -6.013 1.00 . A A . 6 SER H 1 1
3 618 1 1 6 SER HA H 1.860 -0.255 -7.623 1.00 . A A . 6 SER HA 1 1
3 619 1 1 6 SER HB2 H 0.801 2.103 -7.168 1.00 . A A . 6 SER HB2 1 1
3 620 1 1 6 SER HB3 H 1.715 2.011 -5.663 1.00 . A A . 6 SER HB3 1 1
3 621 1 1 6 SER HG H 3.398 2.548 -6.778 1.00 . A A . 6 SER HG 1 1
3 622 1 1 6 SER N N 0.098 -0.234 -6.545 1.00 . A A . 6 SER N 1 1
3 623 1 1 6 SER O O 3.489 -0.834 -5.737 1.00 . A A . 6 SER O 1 1
3 624 1 1 6 SER OG O 2.829 2.053 -7.371 1.00 . A A . 6 SER OG 1 1
3 625 1 1 7 CYS C C 1.338 -1.818 -2.307 1.00 . A A . 7 CYS C 1 1
3 626 1 1 7 CYS CA C 2.367 -1.144 -3.208 1.00 . A A . 7 CYS CA 1 1
3 627 1 1 7 CYS CB C 3.114 -0.049 -2.440 1.00 . A A . 7 CYS CB 1 1
3 628 1 1 7 CYS H H 0.782 -0.274 -4.303 1.00 . A A . 7 CYS H 1 1
3 629 1 1 7 CYS HA H 3.075 -1.887 -3.546 1.00 . A A . 7 CYS HA 1 1
3 630 1 1 7 CYS HB2 H 3.080 0.867 -3.010 1.00 . A A . 7 CYS HB2 1 1
3 631 1 1 7 CYS HB3 H 2.629 0.108 -1.487 1.00 . A A . 7 CYS HB3 1 1
3 632 1 1 7 CYS N N 1.710 -0.579 -4.381 1.00 . A A . 7 CYS N 1 1
3 633 1 1 7 CYS O O 0.227 -2.120 -2.743 1.00 . A A . 7 CYS O 1 1
3 634 1 1 7 CYS SG S 4.866 -0.431 -2.115 1.00 . A A . 7 CYS SG 1 1
3 635 1 1 8 VAL C C 0.796 -1.971 1.235 1.00 . A A . 8 VAL C 1 1
3 636 1 1 8 VAL CA C 0.788 -2.682 -0.107 1.00 . A A . 8 VAL CA 1 1
3 637 1 1 8 VAL CB C 1.141 -4.158 0.134 1.00 . A A . 8 VAL CB 1 1
3 638 1 1 8 VAL CG1 C 0.007 -4.879 0.846 1.00 . A A . 8 VAL CG1 1 1
3 639 1 1 8 VAL CG2 C 1.492 -4.854 -1.173 1.00 . A A . 8 VAL CG2 1 1
3 640 1 1 8 VAL H H 2.596 -1.785 -0.751 1.00 . A A . 8 VAL H 1 1
3 641 1 1 8 VAL HA H -0.207 -2.634 -0.523 1.00 . A A . 8 VAL HA 1 1
3 642 1 1 8 VAL HB H 2.001 -4.186 0.776 1.00 . A A . 8 VAL HB 1 1
3 643 1 1 8 VAL HG11 H -0.813 -4.197 1.004 1.00 . A A . 8 VAL HG11 1 1
3 644 1 1 8 VAL HG12 H 0.356 -5.246 1.800 1.00 . A A . 8 VAL HG12 1 1
3 645 1 1 8 VAL HG13 H -0.329 -5.710 0.244 1.00 . A A . 8 VAL HG13 1 1
3 646 1 1 8 VAL HG21 H 2.566 -4.902 -1.277 1.00 . A A . 8 VAL HG21 1 1
3 647 1 1 8 VAL HG22 H 1.074 -4.299 -1.999 1.00 . A A . 8 VAL HG22 1 1
3 648 1 1 8 VAL HG23 H 1.085 -5.854 -1.168 1.00 . A A . 8 VAL HG23 1 1
3 649 1 1 8 VAL N N 1.701 -2.048 -1.050 1.00 . A A . 8 VAL N 1 1
3 650 1 1 8 VAL O O 1.811 -1.421 1.661 1.00 . A A . 8 VAL O 1 1
3 651 1 1 9 ASP C C -0.513 -2.432 4.311 1.00 . A A . 9 ASP C 1 1
3 652 1 1 9 ASP CA C -0.497 -1.378 3.208 1.00 . A A . 9 ASP CA 1 1
3 653 1 1 9 ASP CB C -1.776 -0.534 3.272 1.00 . A A . 9 ASP CB 1 1
3 654 1 1 9 ASP CG C -2.977 -1.223 2.651 1.00 . A A . 9 ASP CG 1 1
3 655 1 1 9 ASP H H -1.107 -2.468 1.497 1.00 . A A . 9 ASP H 1 1
3 656 1 1 9 ASP HA H 0.355 -0.732 3.361 1.00 . A A . 9 ASP HA 1 1
3 657 1 1 9 ASP HB2 H -2.006 -0.324 4.306 1.00 . A A . 9 ASP HB2 1 1
3 658 1 1 9 ASP HB3 H -1.611 0.398 2.752 1.00 . A A . 9 ASP HB3 1 1
3 659 1 1 9 ASP N N -0.348 -2.002 1.898 1.00 . A A . 9 ASP N 1 1
3 660 1 1 9 ASP O O -0.301 -2.121 5.483 1.00 . A A . 9 ASP O 1 1
3 661 1 1 9 ASP OD1 O -2.892 -2.366 2.200 1.00 . A A . 9 ASP OD1 1 1
3 662 1 1 10 PHE C C -1.878 -4.542 5.941 1.00 . A A . 10 PHE C 1 1
3 663 1 1 10 PHE CA C -0.807 -4.780 4.885 1.00 . A A . 10 PHE CA 1 1
3 664 1 1 10 PHE CB C 0.556 -4.954 5.555 1.00 . A A . 10 PHE CB 1 1
3 665 1 1 10 PHE CD1 C 2.118 -6.589 4.466 1.00 . A A . 10 PHE CD1 1 1
3 666 1 1 10 PHE CD2 C 2.238 -4.299 3.812 1.00 . A A . 10 PHE CD2 1 1
3 667 1 1 10 PHE CE1 C 3.132 -6.899 3.580 1.00 . A A . 10 PHE CE1 1 1
3 668 1 1 10 PHE CE2 C 3.253 -4.602 2.925 1.00 . A A . 10 PHE CE2 1 1
3 669 1 1 10 PHE CG C 1.660 -5.287 4.592 1.00 . A A . 10 PHE CG 1 1
3 670 1 1 10 PHE CZ C 3.701 -5.904 2.809 1.00 . A A . 10 PHE CZ 1 1
3 671 1 1 10 PHE H H -0.927 -3.870 2.981 1.00 . A A . 10 PHE H 1 1
3 672 1 1 10 PHE HA H -1.049 -5.681 4.342 1.00 . A A . 10 PHE HA 1 1
3 673 1 1 10 PHE HB2 H 0.821 -4.037 6.059 1.00 . A A . 10 PHE HB2 1 1
3 674 1 1 10 PHE HB3 H 0.493 -5.752 6.279 1.00 . A A . 10 PHE HB3 1 1
3 675 1 1 10 PHE HD1 H 1.673 -7.367 5.069 1.00 . A A . 10 PHE HD1 1 1
3 676 1 1 10 PHE HD2 H 1.889 -3.281 3.902 1.00 . A A . 10 PHE HD2 1 1
3 677 1 1 10 PHE HE1 H 3.481 -7.917 3.492 1.00 . A A . 10 PHE HE1 1 1
3 678 1 1 10 PHE HE2 H 3.696 -3.822 2.323 1.00 . A A . 10 PHE HE2 1 1
3 679 1 1 10 PHE HZ H 4.494 -6.143 2.116 1.00 . A A . 10 PHE HZ 1 1
3 680 1 1 10 PHE N N -0.765 -3.682 3.929 1.00 . A A . 10 PHE N 1 1
3 681 1 1 10 PHE O O -1.744 -4.975 7.085 1.00 . A A . 10 PHE O 1 1
3 682 1 1 11 ALA C C -5.184 -4.549 6.272 1.00 . A A . 11 ALA C 1 1
3 683 1 1 11 ALA CA C -4.039 -3.564 6.463 1.00 . A A . 11 ALA CA 1 1
3 684 1 1 11 ALA CB C -4.526 -2.135 6.274 1.00 . A A . 11 ALA CB 1 1
3 685 1 1 11 ALA H H -2.996 -3.537 4.622 1.00 . A A . 11 ALA H 1 1
3 686 1 1 11 ALA HA H -3.663 -3.663 7.469 1.00 . A A . 11 ALA HA 1 1
3 687 1 1 11 ALA HB1 H -5.417 -2.136 5.663 1.00 . A A . 11 ALA HB1 1 1
3 688 1 1 11 ALA HB2 H -3.757 -1.554 5.788 1.00 . A A . 11 ALA HB2 1 1
3 689 1 1 11 ALA HB3 H -4.751 -1.701 7.237 1.00 . A A . 11 ALA HB3 1 1
3 690 1 1 11 ALA N N -2.944 -3.854 5.548 1.00 . A A . 11 ALA N 1 1
3 691 1 1 11 ALA O O -6.342 -4.235 6.547 1.00 . A A . 11 ALA O 1 1
3 692 1 1 12 GLY C C -6.237 -6.885 4.116 1.00 . A A . 12 GLY C 1 1
3 693 1 1 12 GLY CA C -5.859 -6.762 5.577 1.00 . A A . 12 GLY CA 1 1
3 694 1 1 12 GLY H H -3.908 -5.932 5.596 1.00 . A A . 12 GLY H 1 1
3 695 1 1 12 GLY HA2 H -5.478 -7.712 5.921 1.00 . A A . 12 GLY HA2 1 1
3 696 1 1 12 GLY HA3 H -6.741 -6.510 6.147 1.00 . A A . 12 GLY HA3 1 1
3 697 1 1 12 GLY N N -4.850 -5.742 5.798 1.00 . A A . 12 GLY N 1 1
3 698 1 1 12 GLY O O -6.536 -7.978 3.634 1.00 . A A . 12 GLY O 1 1
3 699 1 1 13 CYS C C -5.325 -6.087 1.159 1.00 . A A . 13 CYS C 1 1
3 700 1 1 13 CYS CA C -6.553 -5.745 1.992 1.00 . A A . 13 CYS CA 1 1
3 701 1 1 13 CYS CB C -7.100 -4.375 1.592 1.00 . A A . 13 CYS CB 1 1
3 702 1 1 13 CYS H H -5.964 -4.924 3.851 1.00 . A A . 13 CYS H 1 1
3 703 1 1 13 CYS HA H -7.312 -6.493 1.820 1.00 . A A . 13 CYS HA 1 1
3 704 1 1 13 CYS HB2 H -6.285 -3.668 1.550 1.00 . A A . 13 CYS HB2 1 1
3 705 1 1 13 CYS HB3 H -7.558 -4.448 0.617 1.00 . A A . 13 CYS HB3 1 1
3 706 1 1 13 CYS N N -6.218 -5.761 3.410 1.00 . A A . 13 CYS N 1 1
3 707 1 1 13 CYS O O -5.390 -6.903 0.240 1.00 . A A . 13 CYS O 1 1
3 708 1 1 13 CYS SG S -8.347 -3.714 2.744 1.00 . A A . 13 CYS SG 1 1
3 709 1 1 14 GLY C C -2.745 -4.793 -0.383 1.00 . A A . 14 GLY C 1 1
3 710 1 1 14 GLY CA C -2.966 -5.725 0.793 1.00 . A A . 14 GLY CA 1 1
3 711 1 1 14 GLY H H -4.212 -4.835 2.251 1.00 . A A . 14 GLY H 1 1
3 712 1 1 14 GLY HA2 H -2.146 -5.615 1.483 1.00 . A A . 14 GLY HA2 1 1
3 713 1 1 14 GLY HA3 H -2.981 -6.743 0.431 1.00 . A A . 14 GLY HA3 1 1
3 714 1 1 14 GLY N N -4.202 -5.466 1.501 1.00 . A A . 14 GLY N 1 1
3 715 1 1 14 GLY O O -2.283 -5.223 -1.440 1.00 . A A . 14 GLY O 1 1
3 716 1 1 15 TYR C C -2.614 -1.139 -0.743 1.00 . A A . 15 TYR C 1 1
3 717 1 1 15 TYR CA C -2.891 -2.542 -1.282 1.00 . A A . 15 TYR CA 1 1
3 718 1 1 15 TYR CB C -4.121 -2.519 -2.192 1.00 . A A . 15 TYR CB 1 1
3 719 1 1 15 TYR CD1 C -3.830 -4.088 -4.149 1.00 . A A . 15 TYR CD1 1 1
3 720 1 1 15 TYR CD2 C -5.165 -4.815 -2.312 1.00 . A A . 15 TYR CD2 1 1
3 721 1 1 15 TYR CE1 C -4.063 -5.286 -4.797 1.00 . A A . 15 TYR CE1 1 1
3 722 1 1 15 TYR CE2 C -5.401 -6.016 -2.953 1.00 . A A . 15 TYR CE2 1 1
3 723 1 1 15 TYR CG C -4.377 -3.832 -2.897 1.00 . A A . 15 TYR CG 1 1
3 724 1 1 15 TYR CZ C -4.848 -6.246 -4.195 1.00 . A A . 15 TYR CZ 1 1
3 725 1 1 15 TYR H H -3.434 -3.220 0.652 1.00 . A A . 15 TYR H 1 1
3 726 1 1 15 TYR HA H -2.038 -2.857 -1.864 1.00 . A A . 15 TYR HA 1 1
3 727 1 1 15 TYR HB2 H -4.993 -2.286 -1.602 1.00 . A A . 15 TYR HB2 1 1
3 728 1 1 15 TYR HB3 H -3.987 -1.757 -2.945 1.00 . A A . 15 TYR HB3 1 1
3 729 1 1 15 TYR HD1 H -3.215 -3.334 -4.617 1.00 . A A . 15 TYR HD1 1 1
3 730 1 1 15 TYR HD2 H -5.598 -4.631 -1.340 1.00 . A A . 15 TYR HD2 1 1
3 731 1 1 15 TYR HE1 H -3.629 -5.467 -5.769 1.00 . A A . 15 TYR HE1 1 1
3 732 1 1 15 TYR HE2 H -6.017 -6.767 -2.482 1.00 . A A . 15 TYR HE2 1 1
3 733 1 1 15 TYR HH H -5.992 -7.710 -4.693 1.00 . A A . 15 TYR HH 1 1
3 734 1 1 15 TYR N N -3.071 -3.514 -0.209 1.00 . A A . 15 TYR N 1 1
3 735 1 1 15 TYR O O -3.404 -0.583 0.018 1.00 . A A . 15 TYR O 1 1
3 736 1 1 15 TYR OH O -5.081 -7.441 -4.837 1.00 . A A . 15 TYR OH 1 1
3 737 1 1 16 ALA C C -0.495 1.539 -1.919 1.00 . A A . 16 ALA C 1 1
3 738 1 1 16 ALA CA C -1.084 0.768 -0.750 1.00 . A A . 16 ALA CA 1 1
3 739 1 1 16 ALA CB C -0.078 0.702 0.386 1.00 . A A . 16 ALA CB 1 1
3 740 1 1 16 ALA H H -0.909 -1.075 -1.770 1.00 . A A . 16 ALA H 1 1
3 741 1 1 16 ALA HA H -1.954 1.294 -0.396 1.00 . A A . 16 ALA HA 1 1
3 742 1 1 16 ALA HB1 H 0.817 0.201 0.046 1.00 . A A . 16 ALA HB1 1 1
3 743 1 1 16 ALA HB2 H -0.504 0.156 1.212 1.00 . A A . 16 ALA HB2 1 1
3 744 1 1 16 ALA HB3 H 0.170 1.703 0.706 1.00 . A A . 16 ALA HB3 1 1
3 745 1 1 16 ALA N N -1.486 -0.575 -1.161 1.00 . A A . 16 ALA N 1 1
3 746 1 1 16 ALA O O 0.183 0.970 -2.775 1.00 . A A . 16 ALA O 1 1
3 747 1 1 17 VAL C C 1.164 4.217 -2.598 1.00 . A A . 17 VAL C 1 1
3 748 1 1 17 VAL CA C -0.211 3.695 -2.994 1.00 . A A . 17 VAL CA 1 1
3 749 1 1 17 VAL CB C -1.134 4.898 -3.292 1.00 . A A . 17 VAL CB 1 1
3 750 1 1 17 VAL CG1 C -1.069 5.264 -4.767 1.00 . A A . 17 VAL CG1 1 1
3 751 1 1 17 VAL CG2 C -2.568 4.608 -2.874 1.00 . A A . 17 VAL CG2 1 1
3 752 1 1 17 VAL H H -1.273 3.240 -1.221 1.00 . A A . 17 VAL H 1 1
3 753 1 1 17 VAL HA H -0.119 3.101 -3.892 1.00 . A A . 17 VAL HA 1 1
3 754 1 1 17 VAL HB H -0.781 5.745 -2.721 1.00 . A A . 17 VAL HB 1 1
3 755 1 1 17 VAL HG11 H -0.335 6.043 -4.912 1.00 . A A . 17 VAL HG11 1 1
3 756 1 1 17 VAL HG12 H -2.036 5.616 -5.094 1.00 . A A . 17 VAL HG12 1 1
3 757 1 1 17 VAL HG13 H -0.789 4.394 -5.342 1.00 . A A . 17 VAL HG13 1 1
3 758 1 1 17 VAL HG21 H -3.248 5.123 -3.537 1.00 . A A . 17 VAL HG21 1 1
3 759 1 1 17 VAL HG22 H -2.723 4.952 -1.863 1.00 . A A . 17 VAL HG22 1 1
3 760 1 1 17 VAL HG23 H -2.751 3.545 -2.926 1.00 . A A . 17 VAL HG23 1 1
3 761 1 1 17 VAL N N -0.739 2.842 -1.939 1.00 . A A . 17 VAL N 1 1
3 762 1 1 17 VAL O O 1.784 4.987 -3.331 1.00 . A A . 17 VAL O 1 1
3 763 1 1 18 VAL C C 3.793 2.993 -0.562 1.00 . A A . 18 VAL C 1 1
3 764 1 1 18 VAL CA C 2.942 4.201 -0.932 1.00 . A A . 18 VAL CA 1 1
3 765 1 1 18 VAL CB C 2.813 5.144 0.286 1.00 . A A . 18 VAL CB 1 1
3 766 1 1 18 VAL CG1 C 1.716 4.666 1.226 1.00 . A A . 18 VAL CG1 1 1
3 767 1 1 18 VAL CG2 C 4.135 5.284 1.032 1.00 . A A . 18 VAL CG2 1 1
3 768 1 1 18 VAL H H 1.092 3.165 -0.890 1.00 . A A . 18 VAL H 1 1
3 769 1 1 18 VAL HA H 3.438 4.742 -1.725 1.00 . A A . 18 VAL HA 1 1
3 770 1 1 18 VAL HB H 2.538 6.118 -0.082 1.00 . A A . 18 VAL HB 1 1
3 771 1 1 18 VAL HG11 H 0.799 4.534 0.671 1.00 . A A . 18 VAL HG11 1 1
3 772 1 1 18 VAL HG12 H 1.563 5.400 2.004 1.00 . A A . 18 VAL HG12 1 1
3 773 1 1 18 VAL HG13 H 2.007 3.726 1.670 1.00 . A A . 18 VAL HG13 1 1
3 774 1 1 18 VAL HG21 H 4.016 5.983 1.847 1.00 . A A . 18 VAL HG21 1 1
3 775 1 1 18 VAL HG22 H 4.894 5.648 0.355 1.00 . A A . 18 VAL HG22 1 1
3 776 1 1 18 VAL HG23 H 4.433 4.323 1.424 1.00 . A A . 18 VAL HG23 1 1
3 777 1 1 18 VAL N N 1.637 3.784 -1.430 1.00 . A A . 18 VAL N 1 1
3 778 1 1 18 VAL O O 3.277 1.903 -0.316 1.00 . A A . 18 VAL O 1 1
3 779 1 1 19 CYS C C 6.972 2.550 0.947 1.00 . A A . 19 CYS C 1 1
3 780 1 1 19 CYS CA C 6.040 2.139 -0.193 1.00 . A A . 19 CYS CA 1 1
3 781 1 1 19 CYS CB C 6.861 1.752 -1.424 1.00 . A A . 19 CYS CB 1 1
3 782 1 1 19 CYS H H 5.438 4.099 -0.738 1.00 . A A . 19 CYS H 1 1
3 783 1 1 19 CYS HA H 5.465 1.282 0.124 1.00 . A A . 19 CYS HA 1 1
3 784 1 1 19 CYS HB2 H 7.433 2.608 -1.750 1.00 . A A . 19 CYS HB2 1 1
3 785 1 1 19 CYS HB3 H 7.537 0.953 -1.160 1.00 . A A . 19 CYS HB3 1 1
3 786 1 1 19 CYS N N 5.099 3.203 -0.529 1.00 . A A . 19 CYS N 1 1
3 787 1 1 19 CYS O O 7.611 1.702 1.569 1.00 . A A . 19 CYS O 1 1
3 788 1 1 19 CYS SG S 5.858 1.186 -2.838 1.00 . A A . 19 CYS SG 1 1
3 789 1 1 20 PHE C C 7.112 4.571 3.572 1.00 . A A . 20 PHE C 1 1
3 790 1 1 20 PHE CA C 7.907 4.356 2.286 1.00 . A A . 20 PHE CA 1 1
3 791 1 1 20 PHE CB C 8.571 5.666 1.857 1.00 . A A . 20 PHE CB 1 1
3 792 1 1 20 PHE CD1 C 8.922 6.171 -0.576 1.00 . A A . 20 PHE CD1 1 1
3 793 1 1 20 PHE CD2 C 10.537 4.823 0.547 1.00 . A A . 20 PHE CD2 1 1
3 794 1 1 20 PHE CE1 C 9.645 6.066 -1.749 1.00 . A A . 20 PHE CE1 1 1
3 795 1 1 20 PHE CE2 C 11.265 4.715 -0.623 1.00 . A A . 20 PHE CE2 1 1
3 796 1 1 20 PHE CG C 9.359 5.551 0.583 1.00 . A A . 20 PHE CG 1 1
3 797 1 1 20 PHE CZ C 10.818 5.337 -1.773 1.00 . A A . 20 PHE CZ 1 1
3 798 1 1 20 PHE H H 6.520 4.485 0.695 1.00 . A A . 20 PHE H 1 1
3 799 1 1 20 PHE HA H 8.673 3.619 2.471 1.00 . A A . 20 PHE HA 1 1
3 800 1 1 20 PHE HB2 H 7.808 6.416 1.708 1.00 . A A . 20 PHE HB2 1 1
3 801 1 1 20 PHE HB3 H 9.243 5.993 2.637 1.00 . A A . 20 PHE HB3 1 1
3 802 1 1 20 PHE HD1 H 8.005 6.741 -0.559 1.00 . A A . 20 PHE HD1 1 1
3 803 1 1 20 PHE HD2 H 10.887 4.336 1.445 1.00 . A A . 20 PHE HD2 1 1
3 804 1 1 20 PHE HE1 H 9.294 6.554 -2.647 1.00 . A A . 20 PHE HE1 1 1
3 805 1 1 20 PHE HE2 H 12.182 4.144 -0.639 1.00 . A A . 20 PHE HE2 1 1
3 806 1 1 20 PHE HZ H 11.385 5.254 -2.688 1.00 . A A . 20 PHE HZ 1 1
3 807 1 1 20 PHE N N 7.049 3.851 1.220 1.00 . A A . 20 PHE N 1 1
3 808 1 1 20 PHE O O 7.328 5.552 4.283 1.00 . A A . 20 PHE O 1 1
3 809 1 1 21 DTR C C 4.955 2.283 5.486 1.00 . A A . 21 DTR C 1 1
3 810 1 1 21 DTR CA C 5.341 3.692 5.049 1.00 . A A . 21 DTR CA 1 1
3 811 1 1 21 DTR CB C 6.040 4.402 6.217 1.00 . A A . 21 DTR CB 1 1
3 812 1 1 21 DTR CD1 C 7.973 2.723 6.077 1.00 . A A . 21 DTR CD1 1 1
3 813 1 1 21 DTR CD2 C 8.486 4.629 7.133 1.00 . A A . 21 DTR CD2 1 1
3 814 1 1 21 DTR CE2 C 9.624 3.801 7.125 1.00 . A A . 21 DTR CE2 1 1
3 815 1 1 21 DTR CE3 C 8.571 5.884 7.744 1.00 . A A . 21 DTR CE3 1 1
3 816 1 1 21 DTR CG C 7.440 3.922 6.457 1.00 . A A . 21 DTR CG 1 1
3 817 1 1 21 DTR CH2 C 10.885 5.419 8.294 1.00 . A A . 21 DTR CH2 1 1
3 818 1 1 21 DTR CZ2 C 10.830 4.186 7.703 1.00 . A A . 21 DTR CZ2 1 1
3 819 1 1 21 DTR CZ3 C 9.769 6.265 8.318 1.00 . A A . 21 DTR CZ3 1 1
3 820 1 1 21 DTR H H 6.081 2.892 3.233 1.00 . A A . 21 DTR H 1 1
3 821 1 1 21 DTR HA H 4.443 4.235 4.793 1.00 . A A . 21 DTR HA 1 1
3 822 1 1 21 DTR HB2 H 6.079 5.462 6.016 1.00 . A A . 21 DTR HB2 1 1
3 823 1 1 21 DTR HB3 H 5.471 4.235 7.120 1.00 . A A . 21 DTR HB3 1 1
3 824 1 1 21 DTR HD1 H 7.429 1.958 5.542 1.00 . A A . 21 DTR HD1 1 1
3 825 1 1 21 DTR HE1 H 9.882 1.882 6.317 1.00 . A A . 21 DTR HE1 1 1
3 826 1 1 21 DTR HE3 H 7.721 6.550 7.772 1.00 . A A . 21 DTR HE3 1 1
3 827 1 1 21 DTR HH2 H 11.800 5.758 8.755 1.00 . A A . 21 DTR HH2 1 1
3 828 1 1 21 DTR HZ2 H 11.700 3.546 7.692 1.00 . A A . 21 DTR HZ2 1 1
3 829 1 1 21 DTR HZ3 H 9.853 7.231 8.795 1.00 . A A . 21 DTR HZ3 1 1
3 830 1 1 21 DTR N N 6.192 3.642 3.853 1.00 . A A . 21 DTR N 1 1
3 831 1 1 21 DTR NE1 N 9.285 2.643 6.474 1.00 . A A . 21 DTR NE1 1 1
4 832 1 1 1 CYS C C -5.672 0.301 1.417 1.00 . A A . 1 CYS C 1 1
4 833 1 1 1 CYS CA C -5.002 -0.798 2.242 1.00 . A A . 1 CYS CA 1 1
4 834 1 1 1 CYS CB C -5.904 -1.206 3.415 1.00 . A A . 1 CYS CB 1 1
4 835 1 1 1 CYS H1 H -3.608 0.621 2.688 1.00 . A A . 1 CYS H1 1 1
4 836 1 1 1 CYS HA H -4.838 -1.658 1.609 1.00 . A A . 1 CYS HA 1 1
4 837 1 1 1 CYS HB2 H -5.618 -2.191 3.752 1.00 . A A . 1 CYS HB2 1 1
4 838 1 1 1 CYS HB3 H -5.766 -0.503 4.224 1.00 . A A . 1 CYS HB3 1 1
4 839 1 1 1 CYS N N -3.703 -0.353 2.740 1.00 . A A . 1 CYS N 1 1
4 840 1 1 1 CYS O O -6.273 1.224 1.967 1.00 . A A . 1 CYS O 1 1
4 841 1 1 1 CYS SG S -7.687 -1.256 3.023 1.00 . A A . 1 CYS SG 1 1
4 842 1 1 2 LEU C C -6.557 0.527 -2.123 1.00 . A A . 2 LEU C 1 1
4 843 1 1 2 LEU CA C -6.153 1.177 -0.804 1.00 . A A . 2 LEU CA 1 1
4 844 1 1 2 LEU CB C -5.167 2.318 -1.065 1.00 . A A . 2 LEU CB 1 1
4 845 1 1 2 LEU CD1 C -3.516 3.901 -0.035 1.00 . A A . 2 LEU CD1 1 1
4 846 1 1 2 LEU CD2 C -5.963 4.192 0.396 1.00 . A A . 2 LEU CD2 1 1
4 847 1 1 2 LEU CG C -4.846 3.188 0.152 1.00 . A A . 2 LEU CG 1 1
4 848 1 1 2 LEU H H -5.069 -0.564 -0.279 1.00 . A A . 2 LEU H 1 1
4 849 1 1 2 LEU HA H -7.034 1.576 -0.330 1.00 . A A . 2 LEU HA 1 1
4 850 1 1 2 LEU HB2 H -4.244 1.892 -1.431 1.00 . A A . 2 LEU HB2 1 1
4 851 1 1 2 LEU HB3 H -5.580 2.953 -1.834 1.00 . A A . 2 LEU HB3 1 1
4 852 1 1 2 LEU HD11 H -2.946 3.846 0.881 1.00 . A A . 2 LEU HD11 1 1
4 853 1 1 2 LEU HD12 H -3.694 4.936 -0.286 1.00 . A A . 2 LEU HD12 1 1
4 854 1 1 2 LEU HD13 H -2.962 3.428 -0.833 1.00 . A A . 2 LEU HD13 1 1
4 855 1 1 2 LEU HD21 H -6.220 4.678 -0.533 1.00 . A A . 2 LEU HD21 1 1
4 856 1 1 2 LEU HD22 H -5.632 4.932 1.110 1.00 . A A . 2 LEU HD22 1 1
4 857 1 1 2 LEU HD23 H -6.830 3.679 0.785 1.00 . A A . 2 LEU HD23 1 1
4 858 1 1 2 LEU HG H -4.764 2.559 1.025 1.00 . A A . 2 LEU HG 1 1
4 859 1 1 2 LEU N N -5.562 0.195 0.098 1.00 . A A . 2 LEU N 1 1
4 860 1 1 2 LEU O O -6.236 -0.633 -2.379 1.00 . A A . 2 LEU O 1 1
4 861 1 1 3 GLY C C -6.609 0.833 -5.299 1.00 . A A . 3 GLY C 1 1
4 862 1 1 3 GLY CA C -7.696 0.764 -4.241 1.00 . A A . 3 GLY CA 1 1
4 863 1 1 3 GLY H H -7.487 2.202 -2.701 1.00 . A A . 3 GLY H 1 1
4 864 1 1 3 GLY HA2 H -7.995 -0.266 -4.116 1.00 . A A . 3 GLY HA2 1 1
4 865 1 1 3 GLY HA3 H -8.547 1.337 -4.579 1.00 . A A . 3 GLY HA3 1 1
4 866 1 1 3 GLY N N -7.262 1.284 -2.957 1.00 . A A . 3 GLY N 1 1
4 867 1 1 3 GLY O O -6.848 0.508 -6.462 1.00 . A A . 3 GLY O 1 1
4 868 1 1 4 VAL C C -3.500 0.060 -5.874 1.00 . A A . 4 VAL C 1 1
4 869 1 1 4 VAL CA C -4.292 1.363 -5.825 1.00 . A A . 4 VAL CA 1 1
4 870 1 1 4 VAL CB C -3.350 2.518 -5.435 1.00 . A A . 4 VAL CB 1 1
4 871 1 1 4 VAL CG1 C -2.337 2.781 -6.539 1.00 . A A . 4 VAL CG1 1 1
4 872 1 1 4 VAL CG2 C -4.150 3.775 -5.128 1.00 . A A . 4 VAL CG2 1 1
4 873 1 1 4 VAL H H -5.280 1.502 -3.959 1.00 . A A . 4 VAL H 1 1
4 874 1 1 4 VAL HA H -4.691 1.567 -6.808 1.00 . A A . 4 VAL HA 1 1
4 875 1 1 4 VAL HB H -2.812 2.232 -4.543 1.00 . A A . 4 VAL HB 1 1
4 876 1 1 4 VAL HG11 H -2.851 2.876 -7.484 1.00 . A A . 4 VAL HG11 1 1
4 877 1 1 4 VAL HG12 H -1.639 1.960 -6.589 1.00 . A A . 4 VAL HG12 1 1
4 878 1 1 4 VAL HG13 H -1.803 3.695 -6.326 1.00 . A A . 4 VAL HG13 1 1
4 879 1 1 4 VAL HG21 H -3.587 4.644 -5.433 1.00 . A A . 4 VAL HG21 1 1
4 880 1 1 4 VAL HG22 H -4.347 3.826 -4.067 1.00 . A A . 4 VAL HG22 1 1
4 881 1 1 4 VAL HG23 H -5.086 3.746 -5.666 1.00 . A A . 4 VAL HG23 1 1
4 882 1 1 4 VAL N N -5.413 1.256 -4.898 1.00 . A A . 4 VAL N 1 1
4 883 1 1 4 VAL O O -3.612 -0.778 -4.981 1.00 . A A . 4 VAL O 1 1
4 884 1 1 5 GLY C C -0.446 -1.043 -7.323 1.00 . A A . 5 GLY C 1 1
4 885 1 1 5 GLY CA C -1.919 -1.318 -7.073 1.00 . A A . 5 GLY CA 1 1
4 886 1 1 5 GLY H H -2.664 0.587 -7.610 1.00 . A A . 5 GLY H 1 1
4 887 1 1 5 GLY HA2 H -2.013 -1.906 -6.172 1.00 . A A . 5 GLY HA2 1 1
4 888 1 1 5 GLY HA3 H -2.311 -1.889 -7.903 1.00 . A A . 5 GLY HA3 1 1
4 889 1 1 5 GLY N N -2.707 -0.109 -6.927 1.00 . A A . 5 GLY N 1 1
4 890 1 1 5 GLY O O 0.196 -1.746 -8.103 1.00 . A A . 5 GLY O 1 1
4 891 1 1 6 SER C C 2.341 -0.453 -5.788 1.00 . A A . 6 SER C 1 1
4 892 1 1 6 SER CA C 1.506 0.315 -6.806 1.00 . A A . 6 SER CA 1 1
4 893 1 1 6 SER CB C 1.713 1.820 -6.627 1.00 . A A . 6 SER CB 1 1
4 894 1 1 6 SER H H -0.461 0.492 -6.036 1.00 . A A . 6 SER H 1 1
4 895 1 1 6 SER HA H 1.814 0.029 -7.800 1.00 . A A . 6 SER HA 1 1
4 896 1 1 6 SER HB2 H 1.304 2.341 -7.480 1.00 . A A . 6 SER HB2 1 1
4 897 1 1 6 SER HB3 H 1.208 2.147 -5.730 1.00 . A A . 6 SER HB3 1 1
4 898 1 1 6 SER HG H 3.545 1.872 -7.320 1.00 . A A . 6 SER HG 1 1
4 899 1 1 6 SER N N 0.096 -0.029 -6.653 1.00 . A A . 6 SER N 1 1
4 900 1 1 6 SER O O 3.417 -0.962 -6.099 1.00 . A A . 6 SER O 1 1
4 901 1 1 6 SER OG O 3.090 2.137 -6.517 1.00 . A A . 6 SER OG 1 1
4 902 1 1 7 CYS C C 1.416 -1.816 -2.542 1.00 . A A . 7 CYS C 1 1
4 903 1 1 7 CYS CA C 2.471 -1.256 -3.488 1.00 . A A . 7 CYS CA 1 1
4 904 1 1 7 CYS CB C 3.435 -0.333 -2.735 1.00 . A A . 7 CYS CB 1 1
4 905 1 1 7 CYS H H 0.946 -0.120 -4.405 1.00 . A A . 7 CYS H 1 1
4 906 1 1 7 CYS HA H 3.026 -2.078 -3.916 1.00 . A A . 7 CYS HA 1 1
4 907 1 1 7 CYS HB2 H 3.706 0.493 -3.376 1.00 . A A . 7 CYS HB2 1 1
4 908 1 1 7 CYS HB3 H 2.942 0.049 -1.854 1.00 . A A . 7 CYS HB3 1 1
4 909 1 1 7 CYS N N 1.815 -0.541 -4.574 1.00 . A A . 7 CYS N 1 1
4 910 1 1 7 CYS O O 0.245 -1.920 -2.907 1.00 . A A . 7 CYS O 1 1
4 911 1 1 7 CYS SG S 4.979 -1.147 -2.200 1.00 . A A . 7 CYS SG 1 1
4 912 1 1 8 VAL C C 1.028 -2.054 0.992 1.00 . A A . 8 VAL C 1 1
4 913 1 1 8 VAL CA C 0.882 -2.721 -0.363 1.00 . A A . 8 VAL CA 1 1
4 914 1 1 8 VAL CB C 1.067 -4.232 -0.169 1.00 . A A . 8 VAL CB 1 1
4 915 1 1 8 VAL CG1 C -0.106 -4.827 0.597 1.00 . A A . 8 VAL CG1 1 1
4 916 1 1 8 VAL CG2 C 1.257 -4.933 -1.506 1.00 . A A . 8 VAL CG2 1 1
4 917 1 1 8 VAL H H 2.764 -2.075 -1.087 1.00 . A A . 8 VAL H 1 1
4 918 1 1 8 VAL HA H -0.118 -2.548 -0.732 1.00 . A A . 8 VAL HA 1 1
4 919 1 1 8 VAL HB H 1.953 -4.379 0.421 1.00 . A A . 8 VAL HB 1 1
4 920 1 1 8 VAL HG11 H 0.222 -5.122 1.584 1.00 . A A . 8 VAL HG11 1 1
4 921 1 1 8 VAL HG12 H -0.482 -5.691 0.070 1.00 . A A . 8 VAL HG12 1 1
4 922 1 1 8 VAL HG13 H -0.889 -4.091 0.686 1.00 . A A . 8 VAL HG13 1 1
4 923 1 1 8 VAL HG21 H 1.997 -4.404 -2.087 1.00 . A A . 8 VAL HG21 1 1
4 924 1 1 8 VAL HG22 H 0.320 -4.945 -2.041 1.00 . A A . 8 VAL HG22 1 1
4 925 1 1 8 VAL HG23 H 1.589 -5.947 -1.337 1.00 . A A . 8 VAL HG23 1 1
4 926 1 1 8 VAL N N 1.821 -2.176 -1.332 1.00 . A A . 8 VAL N 1 1
4 927 1 1 8 VAL O O 2.118 -1.642 1.388 1.00 . A A . 8 VAL O 1 1
4 928 1 1 9 ASP C C -0.034 -2.458 4.104 1.00 . A A . 9 ASP C 1 1
4 929 1 1 9 ASP CA C -0.100 -1.375 3.032 1.00 . A A . 9 ASP CA 1 1
4 930 1 1 9 ASP CB C -1.345 -0.503 3.240 1.00 . A A . 9 ASP CB 1 1
4 931 1 1 9 ASP CG C -2.614 -1.116 2.674 1.00 . A A . 9 ASP CG 1 1
4 932 1 1 9 ASP H H -0.908 -2.334 1.319 1.00 . A A . 9 ASP H 1 1
4 933 1 1 9 ASP HA H 0.779 -0.753 3.120 1.00 . A A . 9 ASP HA 1 1
4 934 1 1 9 ASP HB2 H -1.491 -0.350 4.298 1.00 . A A . 9 ASP HB2 1 1
4 935 1 1 9 ASP HB3 H -1.188 0.454 2.765 1.00 . A A . 9 ASP HB3 1 1
4 936 1 1 9 ASP N N -0.083 -1.972 1.700 1.00 . A A . 9 ASP N 1 1
4 937 1 1 9 ASP O O 0.376 -2.200 5.236 1.00 . A A . 9 ASP O 1 1
4 938 1 1 9 ASP OD1 O -2.613 -2.249 2.191 1.00 . A A . 9 ASP OD1 1 1
4 939 1 1 10 PHE C C -1.322 -4.530 5.864 1.00 . A A . 10 PHE C 1 1
4 940 1 1 10 PHE CA C -0.417 -4.796 4.669 1.00 . A A . 10 PHE CA 1 1
4 941 1 1 10 PHE CB C 1.010 -5.068 5.144 1.00 . A A . 10 PHE CB 1 1
4 942 1 1 10 PHE CD1 C 1.933 -7.290 4.431 1.00 . A A . 10 PHE CD1 1 1
4 943 1 1 10 PHE CD2 C 2.414 -5.379 3.088 1.00 . A A . 10 PHE CD2 1 1
4 944 1 1 10 PHE CE1 C 2.661 -8.085 3.566 1.00 . A A . 10 PHE CE1 1 1
4 945 1 1 10 PHE CE2 C 3.142 -6.169 2.219 1.00 . A A . 10 PHE CE2 1 1
4 946 1 1 10 PHE CG C 1.802 -5.930 4.202 1.00 . A A . 10 PHE CG 1 1
4 947 1 1 10 PHE CZ C 3.266 -7.524 2.459 1.00 . A A . 10 PHE CZ 1 1
4 948 1 1 10 PHE H H -0.752 -3.819 2.823 1.00 . A A . 10 PHE H 1 1
4 949 1 1 10 PHE HA H -0.784 -5.664 4.144 1.00 . A A . 10 PHE HA 1 1
4 950 1 1 10 PHE HB2 H 1.531 -4.129 5.253 1.00 . A A . 10 PHE HB2 1 1
4 951 1 1 10 PHE HB3 H 0.974 -5.567 6.102 1.00 . A A . 10 PHE HB3 1 1
4 952 1 1 10 PHE HD1 H 1.460 -7.730 5.297 1.00 . A A . 10 PHE HD1 1 1
4 953 1 1 10 PHE HD2 H 2.318 -4.320 2.899 1.00 . A A . 10 PHE HD2 1 1
4 954 1 1 10 PHE HE1 H 2.756 -9.144 3.756 1.00 . A A . 10 PHE HE1 1 1
4 955 1 1 10 PHE HE2 H 3.615 -5.728 1.354 1.00 . A A . 10 PHE HE2 1 1
4 956 1 1 10 PHE HZ H 3.835 -8.143 1.781 1.00 . A A . 10 PHE HZ 1 1
4 957 1 1 10 PHE N N -0.437 -3.673 3.740 1.00 . A A . 10 PHE N 1 1
4 958 1 1 10 PHE O O -1.070 -5.015 6.967 1.00 . A A . 10 PHE O 1 1
4 959 1 1 11 ALA C C -4.558 -4.330 6.607 1.00 . A A . 11 ALA C 1 1
4 960 1 1 11 ALA CA C -3.326 -3.439 6.693 1.00 . A A . 11 ALA CA 1 1
4 961 1 1 11 ALA CB C -3.718 -1.971 6.625 1.00 . A A . 11 ALA CB 1 1
4 962 1 1 11 ALA H H -2.530 -3.409 4.734 1.00 . A A . 11 ALA H 1 1
4 963 1 1 11 ALA HA H -2.837 -3.616 7.639 1.00 . A A . 11 ALA HA 1 1
4 964 1 1 11 ALA HB1 H -3.624 -1.527 7.606 1.00 . A A . 11 ALA HB1 1 1
4 965 1 1 11 ALA HB2 H -4.741 -1.885 6.289 1.00 . A A . 11 ALA HB2 1 1
4 966 1 1 11 ALA HB3 H -3.068 -1.456 5.934 1.00 . A A . 11 ALA HB3 1 1
4 967 1 1 11 ALA N N -2.380 -3.762 5.636 1.00 . A A . 11 ALA N 1 1
4 968 1 1 11 ALA O O -5.649 -3.945 7.027 1.00 . A A . 11 ALA O 1 1
4 969 1 1 12 GLY C C -5.980 -6.552 4.499 1.00 . A A . 12 GLY C 1 1
4 970 1 1 12 GLY CA C -5.471 -6.460 5.924 1.00 . A A . 12 GLY CA 1 1
4 971 1 1 12 GLY H H -3.476 -5.773 5.743 1.00 . A A . 12 GLY H 1 1
4 972 1 1 12 GLY HA2 H -5.139 -7.438 6.240 1.00 . A A . 12 GLY HA2 1 1
4 973 1 1 12 GLY HA3 H -6.280 -6.142 6.564 1.00 . A A . 12 GLY HA3 1 1
4 974 1 1 12 GLY N N -4.371 -5.525 6.059 1.00 . A A . 12 GLY N 1 1
4 975 1 1 12 GLY O O -6.403 -7.618 4.052 1.00 . A A . 12 GLY O 1 1
4 976 1 1 13 CYS C C -5.348 -5.972 1.464 1.00 . A A . 13 CYS C 1 1
4 977 1 1 13 CYS CA C -6.400 -5.391 2.403 1.00 . A A . 13 CYS CA 1 1
4 978 1 1 13 CYS CB C -6.737 -3.956 2.000 1.00 . A A . 13 CYS CB 1 1
4 979 1 1 13 CYS H H -5.590 -4.614 4.198 1.00 . A A . 13 CYS H 1 1
4 980 1 1 13 CYS HA H -7.294 -5.993 2.336 1.00 . A A . 13 CYS HA 1 1
4 981 1 1 13 CYS HB2 H -5.870 -3.332 2.156 1.00 . A A . 13 CYS HB2 1 1
4 982 1 1 13 CYS HB3 H -7.005 -3.937 0.953 1.00 . A A . 13 CYS HB3 1 1
4 983 1 1 13 CYS N N -5.939 -5.432 3.785 1.00 . A A . 13 CYS N 1 1
4 984 1 1 13 CYS O O -5.566 -7.012 0.843 1.00 . A A . 13 CYS O 1 1
4 985 1 1 13 CYS SG S -8.121 -3.236 2.942 1.00 . A A . 13 CYS SG 1 1
4 986 1 1 14 GLY C C -2.810 -4.833 -0.625 1.00 . A A . 14 GLY C 1 1
4 987 1 1 14 GLY CA C -3.138 -5.783 0.512 1.00 . A A . 14 GLY CA 1 1
4 988 1 1 14 GLY H H -4.077 -4.482 1.894 1.00 . A A . 14 GLY H 1 1
4 989 1 1 14 GLY HA2 H -2.251 -5.928 1.109 1.00 . A A . 14 GLY HA2 1 1
4 990 1 1 14 GLY HA3 H -3.433 -6.735 0.094 1.00 . A A . 14 GLY HA3 1 1
4 991 1 1 14 GLY N N -4.203 -5.302 1.371 1.00 . A A . 14 GLY N 1 1
4 992 1 1 14 GLY O O -2.293 -5.257 -1.659 1.00 . A A . 14 GLY O 1 1
4 993 1 1 15 TYR C C -2.519 -1.182 -0.884 1.00 . A A . 15 TYR C 1 1
4 994 1 1 15 TYR CA C -2.810 -2.558 -1.475 1.00 . A A . 15 TYR CA 1 1
4 995 1 1 15 TYR CB C -3.973 -2.455 -2.465 1.00 . A A . 15 TYR CB 1 1
4 996 1 1 15 TYR CD1 C -2.918 -3.585 -4.461 1.00 . A A . 15 TYR CD1 1 1
4 997 1 1 15 TYR CD2 C -4.978 -4.454 -3.635 1.00 . A A . 15 TYR CD2 1 1
4 998 1 1 15 TYR CE1 C -2.900 -4.552 -5.447 1.00 . A A . 15 TYR CE1 1 1
4 999 1 1 15 TYR CE2 C -4.967 -5.425 -4.617 1.00 . A A . 15 TYR CE2 1 1
4 1000 1 1 15 TYR CG C -3.955 -3.518 -3.540 1.00 . A A . 15 TYR CG 1 1
4 1001 1 1 15 TYR CZ C -3.927 -5.470 -5.521 1.00 . A A . 15 TYR CZ 1 1
4 1002 1 1 15 TYR H H -3.504 -3.259 0.403 1.00 . A A . 15 TYR H 1 1
4 1003 1 1 15 TYR HA H -1.932 -2.893 -2.007 1.00 . A A . 15 TYR HA 1 1
4 1004 1 1 15 TYR HB2 H -4.904 -2.543 -1.929 1.00 . A A . 15 TYR HB2 1 1
4 1005 1 1 15 TYR HB3 H -3.934 -1.492 -2.952 1.00 . A A . 15 TYR HB3 1 1
4 1006 1 1 15 TYR HD1 H -2.115 -2.865 -4.400 1.00 . A A . 15 TYR HD1 1 1
4 1007 1 1 15 TYR HD2 H -5.792 -4.415 -2.926 1.00 . A A . 15 TYR HD2 1 1
4 1008 1 1 15 TYR HE1 H -2.085 -4.587 -6.154 1.00 . A A . 15 TYR HE1 1 1
4 1009 1 1 15 TYR HE2 H -5.772 -6.143 -4.675 1.00 . A A . 15 TYR HE2 1 1
4 1010 1 1 15 TYR HH H -3.016 -6.757 -6.623 1.00 . A A . 15 TYR HH 1 1
4 1011 1 1 15 TYR N N -3.098 -3.547 -0.441 1.00 . A A . 15 TYR N 1 1
4 1012 1 1 15 TYR O O -3.258 -0.684 -0.038 1.00 . A A . 15 TYR O 1 1
4 1013 1 1 15 TYR OH O -3.912 -6.436 -6.501 1.00 . A A . 15 TYR OH 1 1
4 1014 1 1 16 ALA C C -0.470 1.567 -2.050 1.00 . A A . 16 ALA C 1 1
4 1015 1 1 16 ALA CA C -1.030 0.751 -0.899 1.00 . A A . 16 ALA CA 1 1
4 1016 1 1 16 ALA CB C 0.005 0.643 0.208 1.00 . A A . 16 ALA CB 1 1
4 1017 1 1 16 ALA H H -0.894 -1.032 -2.023 1.00 . A A . 16 ALA H 1 1
4 1018 1 1 16 ALA HA H -1.892 1.259 -0.502 1.00 . A A . 16 ALA HA 1 1
4 1019 1 1 16 ALA HB1 H 0.869 0.110 -0.159 1.00 . A A . 16 ALA HB1 1 1
4 1020 1 1 16 ALA HB2 H -0.418 0.112 1.043 1.00 . A A . 16 ALA HB2 1 1
4 1021 1 1 16 ALA HB3 H 0.299 1.633 0.522 1.00 . A A . 16 ALA HB3 1 1
4 1022 1 1 16 ALA N N -1.436 -0.575 -1.351 1.00 . A A . 16 ALA N 1 1
4 1023 1 1 16 ALA O O 0.077 1.018 -3.007 1.00 . A A . 16 ALA O 1 1
4 1024 1 1 17 VAL C C 1.407 4.093 -2.617 1.00 . A A . 17 VAL C 1 1
4 1025 1 1 17 VAL CA C -0.043 3.774 -2.953 1.00 . A A . 17 VAL CA 1 1
4 1026 1 1 17 VAL CB C -0.841 5.089 -3.048 1.00 . A A . 17 VAL CB 1 1
4 1027 1 1 17 VAL CG1 C -0.484 5.842 -4.321 1.00 . A A . 17 VAL CG1 1 1
4 1028 1 1 17 VAL CG2 C -2.338 4.820 -2.982 1.00 . A A . 17 VAL CG2 1 1
4 1029 1 1 17 VAL H H -0.999 3.264 -1.137 1.00 . A A . 17 VAL H 1 1
4 1030 1 1 17 VAL HA H -0.087 3.266 -3.908 1.00 . A A . 17 VAL HA 1 1
4 1031 1 1 17 VAL HB H -0.572 5.710 -2.205 1.00 . A A . 17 VAL HB 1 1
4 1032 1 1 17 VAL HG11 H -1.268 5.707 -5.052 1.00 . A A . 17 VAL HG11 1 1
4 1033 1 1 17 VAL HG12 H 0.446 5.460 -4.717 1.00 . A A . 17 VAL HG12 1 1
4 1034 1 1 17 VAL HG13 H -0.375 6.893 -4.100 1.00 . A A . 17 VAL HG13 1 1
4 1035 1 1 17 VAL HG21 H -2.841 5.385 -3.752 1.00 . A A . 17 VAL HG21 1 1
4 1036 1 1 17 VAL HG22 H -2.713 5.118 -2.015 1.00 . A A . 17 VAL HG22 1 1
4 1037 1 1 17 VAL HG23 H -2.522 3.766 -3.130 1.00 . A A . 17 VAL HG23 1 1
4 1038 1 1 17 VAL N N -0.576 2.884 -1.935 1.00 . A A . 17 VAL N 1 1
4 1039 1 1 17 VAL O O 2.091 4.811 -3.347 1.00 . A A . 17 VAL O 1 1
4 1040 1 1 18 VAL C C 3.769 2.407 -0.470 1.00 . A A . 18 VAL C 1 1
4 1041 1 1 18 VAL CA C 3.234 3.714 -1.042 1.00 . A A . 18 VAL CA 1 1
4 1042 1 1 18 VAL CB C 3.336 4.819 0.029 1.00 . A A . 18 VAL CB 1 1
4 1043 1 1 18 VAL CG1 C 4.767 5.324 0.140 1.00 . A A . 18 VAL CG1 1 1
4 1044 1 1 18 VAL CG2 C 2.384 5.965 -0.285 1.00 . A A . 18 VAL CG2 1 1
4 1045 1 1 18 VAL H H 1.263 2.956 -0.973 1.00 . A A . 18 VAL H 1 1
4 1046 1 1 18 VAL HA H 3.838 4.001 -1.891 1.00 . A A . 18 VAL HA 1 1
4 1047 1 1 18 VAL HB H 3.053 4.396 0.982 1.00 . A A . 18 VAL HB 1 1
4 1048 1 1 18 VAL HG11 H 5.304 5.086 -0.767 1.00 . A A . 18 VAL HG11 1 1
4 1049 1 1 18 VAL HG12 H 5.253 4.850 0.980 1.00 . A A . 18 VAL HG12 1 1
4 1050 1 1 18 VAL HG13 H 4.762 6.394 0.284 1.00 . A A . 18 VAL HG13 1 1
4 1051 1 1 18 VAL HG21 H 2.284 6.065 -1.356 1.00 . A A . 18 VAL HG21 1 1
4 1052 1 1 18 VAL HG22 H 2.776 6.882 0.128 1.00 . A A . 18 VAL HG22 1 1
4 1053 1 1 18 VAL HG23 H 1.417 5.758 0.149 1.00 . A A . 18 VAL HG23 1 1
4 1054 1 1 18 VAL N N 1.866 3.529 -1.501 1.00 . A A . 18 VAL N 1 1
4 1055 1 1 18 VAL O O 2.999 1.494 -0.171 1.00 . A A . 18 VAL O 1 1
4 1056 1 1 19 CYS C C 6.154 1.298 1.645 1.00 . A A . 19 CYS C 1 1
4 1057 1 1 19 CYS CA C 5.698 1.100 0.203 1.00 . A A . 19 CYS CA 1 1
4 1058 1 1 19 CYS CB C 6.873 0.678 -0.679 1.00 . A A . 19 CYS CB 1 1
4 1059 1 1 19 CYS H H 5.652 3.067 -0.583 1.00 . A A . 19 CYS H 1 1
4 1060 1 1 19 CYS HA H 4.952 0.319 0.184 1.00 . A A . 19 CYS HA 1 1
4 1061 1 1 19 CYS HB2 H 7.598 1.477 -0.709 1.00 . A A . 19 CYS HB2 1 1
4 1062 1 1 19 CYS HB3 H 7.333 -0.204 -0.258 1.00 . A A . 19 CYS HB3 1 1
4 1063 1 1 19 CYS N N 5.083 2.311 -0.326 1.00 . A A . 19 CYS N 1 1
4 1064 1 1 19 CYS O O 6.219 0.345 2.421 1.00 . A A . 19 CYS O 1 1
4 1065 1 1 19 CYS SG S 6.399 0.293 -2.397 1.00 . A A . 19 CYS SG 1 1
4 1066 1 1 20 PHE C C 5.687 3.195 4.233 1.00 . A A . 20 PHE C 1 1
4 1067 1 1 20 PHE CA C 6.888 2.861 3.355 1.00 . A A . 20 PHE CA 1 1
4 1068 1 1 20 PHE CB C 7.869 4.035 3.338 1.00 . A A . 20 PHE CB 1 1
4 1069 1 1 20 PHE CD1 C 10.128 3.183 2.657 1.00 . A A . 20 PHE CD1 1 1
4 1070 1 1 20 PHE CD2 C 8.859 4.426 1.066 1.00 . A A . 20 PHE CD2 1 1
4 1071 1 1 20 PHE CE1 C 11.147 3.036 1.735 1.00 . A A . 20 PHE CE1 1 1
4 1072 1 1 20 PHE CE2 C 9.874 4.283 0.139 1.00 . A A . 20 PHE CE2 1 1
4 1073 1 1 20 PHE CG C 8.974 3.878 2.334 1.00 . A A . 20 PHE CG 1 1
4 1074 1 1 20 PHE CZ C 11.020 3.587 0.474 1.00 . A A . 20 PHE CZ 1 1
4 1075 1 1 20 PHE H H 6.375 3.262 1.343 1.00 . A A . 20 PHE H 1 1
4 1076 1 1 20 PHE HA H 7.385 1.992 3.760 1.00 . A A . 20 PHE HA 1 1
4 1077 1 1 20 PHE HB2 H 7.331 4.941 3.101 1.00 . A A . 20 PHE HB2 1 1
4 1078 1 1 20 PHE HB3 H 8.318 4.134 4.316 1.00 . A A . 20 PHE HB3 1 1
4 1079 1 1 20 PHE HD1 H 10.228 2.752 3.642 1.00 . A A . 20 PHE HD1 1 1
4 1080 1 1 20 PHE HD2 H 7.964 4.970 0.803 1.00 . A A . 20 PHE HD2 1 1
4 1081 1 1 20 PHE HE1 H 12.041 2.492 1.999 1.00 . A A . 20 PHE HE1 1 1
4 1082 1 1 20 PHE HE2 H 9.772 4.714 -0.845 1.00 . A A . 20 PHE HE2 1 1
4 1083 1 1 20 PHE HZ H 11.815 3.474 -0.248 1.00 . A A . 20 PHE HZ 1 1
4 1084 1 1 20 PHE N N 6.455 2.541 2.002 1.00 . A A . 20 PHE N 1 1
4 1085 1 1 20 PHE O O 5.696 2.933 5.436 1.00 . A A . 20 PHE O 1 1
4 1086 1 1 21 DTR C C 2.239 4.117 3.325 1.00 . A A . 21 DTR C 1 1
4 1087 1 1 21 DTR CA C 3.417 4.164 4.294 1.00 . A A . 21 DTR CA 1 1
4 1088 1 1 21 DTR CB C 3.118 3.247 5.488 1.00 . A A . 21 DTR CB 1 1
4 1089 1 1 21 DTR CD1 C 4.478 4.761 7.047 1.00 . A A . 21 DTR CD1 1 1
4 1090 1 1 21 DTR CD2 C 2.887 3.569 8.077 1.00 . A A . 21 DTR CD2 1 1
4 1091 1 1 21 DTR CE2 C 3.554 4.351 9.039 1.00 . A A . 21 DTR CE2 1 1
4 1092 1 1 21 DTR CE3 C 1.844 2.736 8.492 1.00 . A A . 21 DTR CE3 1 1
4 1093 1 1 21 DTR CG C 3.493 3.845 6.810 1.00 . A A . 21 DTR CG 1 1
4 1094 1 1 21 DTR CH2 C 2.186 3.500 10.766 1.00 . A A . 21 DTR CH2 1 1
4 1095 1 1 21 DTR CZ2 C 3.211 4.324 10.388 1.00 . A A . 21 DTR CZ2 1 1
4 1096 1 1 21 DTR CZ3 C 1.504 2.710 9.831 1.00 . A A . 21 DTR CZ3 1 1
4 1097 1 1 21 DTR H H 4.732 3.951 2.648 1.00 . A A . 21 DTR H 1 1
4 1098 1 1 21 DTR HA H 3.537 5.177 4.646 1.00 . A A . 21 DTR HA 1 1
4 1099 1 1 21 DTR HB2 H 2.059 3.034 5.512 1.00 . A A . 21 DTR HB2 1 1
4 1100 1 1 21 DTR HB3 H 3.661 2.321 5.371 1.00 . A A . 21 DTR HB3 1 1
4 1101 1 1 21 DTR HD1 H 5.123 5.172 6.285 1.00 . A A . 21 DTR HD1 1 1
4 1102 1 1 21 DTR HE1 H 5.142 5.702 8.804 1.00 . A A . 21 DTR HE1 1 1
4 1103 1 1 21 DTR HE3 H 1.306 2.120 7.786 1.00 . A A . 21 DTR HE3 1 1
4 1104 1 1 21 DTR HH2 H 1.887 3.448 11.802 1.00 . A A . 21 DTR HH2 1 1
4 1105 1 1 21 DTR HZ2 H 3.726 4.928 11.121 1.00 . A A . 21 DTR HZ2 1 1
4 1106 1 1 21 DTR HZ3 H 0.701 2.073 10.170 1.00 . A A . 21 DTR HZ3 1 1
4 1107 1 1 21 DTR N N 4.657 3.777 3.609 1.00 . A A . 21 DTR N 1 1
4 1108 1 1 21 DTR NE1 N 4.521 5.070 8.386 1.00 . A A . 21 DTR NE1 1 1
5 1109 1 1 1 CYS C C -6.105 -0.133 1.257 1.00 . A A . 1 CYS C 1 1
5 1110 1 1 1 CYS CA C -5.467 -1.274 2.050 1.00 . A A . 1 CYS CA 1 1
5 1111 1 1 1 CYS CB C -6.431 -1.768 3.138 1.00 . A A . 1 CYS CB 1 1
5 1112 1 1 1 CYS H1 H -4.066 0.128 2.635 1.00 . A A . 1 CYS H1 1 1
5 1113 1 1 1 CYS HA H -5.250 -2.088 1.375 1.00 . A A . 1 CYS HA 1 1
5 1114 1 1 1 CYS HB2 H -6.145 -2.768 3.431 1.00 . A A . 1 CYS HB2 1 1
5 1115 1 1 1 CYS HB3 H -6.356 -1.115 3.995 1.00 . A A . 1 CYS HB3 1 1
5 1116 1 1 1 CYS N N -4.208 -0.842 2.651 1.00 . A A . 1 CYS N 1 1
5 1117 1 1 1 CYS O O -6.754 0.744 1.826 1.00 . A A . 1 CYS O 1 1
5 1118 1 1 1 CYS SG S -8.185 -1.825 2.635 1.00 . A A . 1 CYS SG 1 1
5 1119 1 1 2 LEU C C -6.764 0.318 -2.315 1.00 . A A . 2 LEU C 1 1
5 1120 1 1 2 LEU CA C -6.468 0.876 -0.928 1.00 . A A . 2 LEU CA 1 1
5 1121 1 1 2 LEU CB C -5.504 2.060 -1.024 1.00 . A A . 2 LEU CB 1 1
5 1122 1 1 2 LEU CD1 C -4.134 3.795 0.163 1.00 . A A . 2 LEU CD1 1 1
5 1123 1 1 2 LEU CD2 C -6.571 3.566 0.672 1.00 . A A . 2 LEU CD2 1 1
5 1124 1 1 2 LEU CG C -5.299 2.826 0.284 1.00 . A A . 2 LEU CG 1 1
5 1125 1 1 2 LEU H H -5.386 -0.879 -0.450 1.00 . A A . 2 LEU H 1 1
5 1126 1 1 2 LEU HA H -7.393 1.215 -0.493 1.00 . A A . 2 LEU HA 1 1
5 1127 1 1 2 LEU HB2 H -4.545 1.691 -1.358 1.00 . A A . 2 LEU HB2 1 1
5 1128 1 1 2 LEU HB3 H -5.884 2.749 -1.763 1.00 . A A . 2 LEU HB3 1 1
5 1129 1 1 2 LEU HD11 H -3.251 3.258 -0.150 1.00 . A A . 2 LEU HD11 1 1
5 1130 1 1 2 LEU HD12 H -3.951 4.260 1.120 1.00 . A A . 2 LEU HD12 1 1
5 1131 1 1 2 LEU HD13 H -4.372 4.554 -0.567 1.00 . A A . 2 LEU HD13 1 1
5 1132 1 1 2 LEU HD21 H -7.419 3.095 0.198 1.00 . A A . 2 LEU HD21 1 1
5 1133 1 1 2 LEU HD22 H -6.502 4.594 0.350 1.00 . A A . 2 LEU HD22 1 1
5 1134 1 1 2 LEU HD23 H -6.693 3.532 1.745 1.00 . A A . 2 LEU HD23 1 1
5 1135 1 1 2 LEU HG H -5.067 2.124 1.071 1.00 . A A . 2 LEU HG 1 1
5 1136 1 1 2 LEU N N -5.913 -0.154 -0.057 1.00 . A A . 2 LEU N 1 1
5 1137 1 1 2 LEU O O -6.398 -0.814 -2.631 1.00 . A A . 2 LEU O 1 1
5 1138 1 1 3 GLY C C -6.630 0.923 -5.473 1.00 . A A . 3 GLY C 1 1
5 1139 1 1 3 GLY CA C -7.759 0.686 -4.487 1.00 . A A . 3 GLY CA 1 1
5 1140 1 1 3 GLY H H -7.693 2.012 -2.838 1.00 . A A . 3 GLY H 1 1
5 1141 1 1 3 GLY HA2 H -7.987 -0.370 -4.467 1.00 . A A . 3 GLY HA2 1 1
5 1142 1 1 3 GLY HA3 H -8.633 1.225 -4.822 1.00 . A A . 3 GLY HA3 1 1
5 1143 1 1 3 GLY N N -7.427 1.120 -3.143 1.00 . A A . 3 GLY N 1 1
5 1144 1 1 3 GLY O O -6.844 0.908 -6.685 1.00 . A A . 3 GLY O 1 1
5 1145 1 1 4 VAL C C -3.554 0.074 -6.149 1.00 . A A . 4 VAL C 1 1
5 1146 1 1 4 VAL CA C -4.262 1.388 -5.800 1.00 . A A . 4 VAL CA 1 1
5 1147 1 1 4 VAL CB C -3.285 2.371 -5.113 1.00 . A A . 4 VAL CB 1 1
5 1148 1 1 4 VAL CG1 C -2.346 1.653 -4.152 1.00 . A A . 4 VAL CG1 1 1
5 1149 1 1 4 VAL CG2 C -2.505 3.172 -6.148 1.00 . A A . 4 VAL CG2 1 1
5 1150 1 1 4 VAL H H -5.316 1.148 -3.980 1.00 . A A . 4 VAL H 1 1
5 1151 1 1 4 VAL HA H -4.611 1.845 -6.715 1.00 . A A . 4 VAL HA 1 1
5 1152 1 1 4 VAL HB H -3.873 3.065 -4.537 1.00 . A A . 4 VAL HB 1 1
5 1153 1 1 4 VAL HG11 H -2.284 2.208 -3.229 1.00 . A A . 4 VAL HG11 1 1
5 1154 1 1 4 VAL HG12 H -1.365 1.582 -4.593 1.00 . A A . 4 VAL HG12 1 1
5 1155 1 1 4 VAL HG13 H -2.724 0.661 -3.949 1.00 . A A . 4 VAL HG13 1 1
5 1156 1 1 4 VAL HG21 H -2.617 4.227 -5.946 1.00 . A A . 4 VAL HG21 1 1
5 1157 1 1 4 VAL HG22 H -2.884 2.953 -7.135 1.00 . A A . 4 VAL HG22 1 1
5 1158 1 1 4 VAL HG23 H -1.459 2.906 -6.097 1.00 . A A . 4 VAL HG23 1 1
5 1159 1 1 4 VAL N N -5.425 1.145 -4.955 1.00 . A A . 4 VAL N 1 1
5 1160 1 1 4 VAL O O -4.150 -0.999 -6.053 1.00 . A A . 4 VAL O 1 1
5 1161 1 1 5 GLY C C -0.048 -0.815 -6.979 1.00 . A A . 5 GLY C 1 1
5 1162 1 1 5 GLY CA C -1.548 -1.041 -6.908 1.00 . A A . 5 GLY CA 1 1
5 1163 1 1 5 GLY H H -1.858 1.033 -6.617 1.00 . A A . 5 GLY H 1 1
5 1164 1 1 5 GLY HA2 H -1.749 -1.803 -6.170 1.00 . A A . 5 GLY HA2 1 1
5 1165 1 1 5 GLY HA3 H -1.893 -1.390 -7.870 1.00 . A A . 5 GLY HA3 1 1
5 1166 1 1 5 GLY N N -2.288 0.157 -6.555 1.00 . A A . 5 GLY N 1 1
5 1167 1 1 5 GLY O O 0.649 -1.492 -7.735 1.00 . A A . 5 GLY O 1 1
5 1168 1 1 6 SER C C 2.583 -0.429 -5.117 1.00 . A A . 6 SER C 1 1
5 1169 1 1 6 SER CA C 1.879 0.428 -6.163 1.00 . A A . 6 SER CA 1 1
5 1170 1 1 6 SER CB C 2.108 1.911 -5.865 1.00 . A A . 6 SER CB 1 1
5 1171 1 1 6 SER H H -0.152 0.630 -5.603 1.00 . A A . 6 SER H 1 1
5 1172 1 1 6 SER HA H 2.285 0.195 -7.135 1.00 . A A . 6 SER HA 1 1
5 1173 1 1 6 SER HB2 H 1.743 2.138 -4.875 1.00 . A A . 6 SER HB2 1 1
5 1174 1 1 6 SER HB3 H 3.165 2.128 -5.918 1.00 . A A . 6 SER HB3 1 1
5 1175 1 1 6 SER HG H 0.484 2.699 -6.628 1.00 . A A . 6 SER HG 1 1
5 1176 1 1 6 SER N N 0.451 0.129 -6.188 1.00 . A A . 6 SER N 1 1
5 1177 1 1 6 SER O O 3.680 -0.938 -5.347 1.00 . A A . 6 SER O 1 1
5 1178 1 1 6 SER OG O 1.428 2.731 -6.801 1.00 . A A . 6 SER OG 1 1
5 1179 1 1 7 CYS C C 1.336 -2.035 -2.090 1.00 . A A . 7 CYS C 1 1
5 1180 1 1 7 CYS CA C 2.471 -1.393 -2.878 1.00 . A A . 7 CYS CA 1 1
5 1181 1 1 7 CYS CB C 3.334 -0.541 -1.938 1.00 . A A . 7 CYS CB 1 1
5 1182 1 1 7 CYS H H 1.057 -0.163 -3.860 1.00 . A A . 7 CYS H 1 1
5 1183 1 1 7 CYS HA H 3.081 -2.175 -3.306 1.00 . A A . 7 CYS HA 1 1
5 1184 1 1 7 CYS HB2 H 2.697 -0.082 -1.198 1.00 . A A . 7 CYS HB2 1 1
5 1185 1 1 7 CYS HB3 H 4.044 -1.186 -1.440 1.00 . A A . 7 CYS HB3 1 1
5 1186 1 1 7 CYS N N 1.932 -0.590 -3.971 1.00 . A A . 7 CYS N 1 1
5 1187 1 1 7 CYS O O 0.202 -2.105 -2.565 1.00 . A A . 7 CYS O 1 1
5 1188 1 1 7 CYS SG S 4.275 0.791 -2.752 1.00 . A A . 7 CYS SG 1 1
5 1189 1 1 8 VAL C C 0.632 -2.507 1.356 1.00 . A A . 8 VAL C 1 1
5 1190 1 1 8 VAL CA C 0.634 -3.121 -0.034 1.00 . A A . 8 VAL CA 1 1
5 1191 1 1 8 VAL CB C 0.868 -4.632 0.110 1.00 . A A . 8 VAL CB 1 1
5 1192 1 1 8 VAL CG1 C -0.339 -5.311 0.738 1.00 . A A . 8 VAL CG1 1 1
5 1193 1 1 8 VAL CG2 C 1.208 -5.260 -1.233 1.00 . A A . 8 VAL CG2 1 1
5 1194 1 1 8 VAL H H 2.557 -2.409 -0.552 1.00 . A A . 8 VAL H 1 1
5 1195 1 1 8 VAL HA H -0.333 -2.966 -0.490 1.00 . A A . 8 VAL HA 1 1
5 1196 1 1 8 VAL HB H 1.702 -4.770 0.771 1.00 . A A . 8 VAL HB 1 1
5 1197 1 1 8 VAL HG11 H -0.692 -6.098 0.087 1.00 . A A . 8 VAL HG11 1 1
5 1198 1 1 8 VAL HG12 H -1.125 -4.588 0.885 1.00 . A A . 8 VAL HG12 1 1
5 1199 1 1 8 VAL HG13 H -0.058 -5.734 1.691 1.00 . A A . 8 VAL HG13 1 1
5 1200 1 1 8 VAL HG21 H 1.065 -6.329 -1.176 1.00 . A A . 8 VAL HG21 1 1
5 1201 1 1 8 VAL HG22 H 2.237 -5.047 -1.479 1.00 . A A . 8 VAL HG22 1 1
5 1202 1 1 8 VAL HG23 H 0.562 -4.850 -1.995 1.00 . A A . 8 VAL HG23 1 1
5 1203 1 1 8 VAL N N 1.639 -2.495 -0.882 1.00 . A A . 8 VAL N 1 1
5 1204 1 1 8 VAL O O 1.664 -2.059 1.856 1.00 . A A . 8 VAL O 1 1
5 1205 1 1 9 ASP C C -0.797 -3.085 4.347 1.00 . A A . 9 ASP C 1 1
5 1206 1 1 9 ASP CA C -0.691 -1.962 3.318 1.00 . A A . 9 ASP CA 1 1
5 1207 1 1 9 ASP CB C -1.921 -1.051 3.401 1.00 . A A . 9 ASP CB 1 1
5 1208 1 1 9 ASP CG C -3.155 -1.650 2.751 1.00 . A A . 9 ASP CG 1 1
5 1209 1 1 9 ASP H H -1.308 -2.887 1.516 1.00 . A A . 9 ASP H 1 1
5 1210 1 1 9 ASP HA H 0.190 -1.377 3.538 1.00 . A A . 9 ASP HA 1 1
5 1211 1 1 9 ASP HB2 H -2.147 -0.859 4.440 1.00 . A A . 9 ASP HB2 1 1
5 1212 1 1 9 ASP HB3 H -1.699 -0.114 2.910 1.00 . A A . 9 ASP HB3 1 1
5 1213 1 1 9 ASP N N -0.535 -2.505 1.974 1.00 . A A . 9 ASP N 1 1
5 1214 1 1 9 ASP O O -0.613 -2.862 5.544 1.00 . A A . 9 ASP O 1 1
5 1215 1 1 9 ASP OD1 O -3.159 -2.814 2.350 1.00 . A A . 9 ASP OD1 1 1
5 1216 1 1 10 PHE C C -2.280 -5.226 5.812 1.00 . A A . 10 PHE C 1 1
5 1217 1 1 10 PHE CA C -1.211 -5.452 4.751 1.00 . A A . 10 PHE CA 1 1
5 1218 1 1 10 PHE CB C 0.131 -5.756 5.419 1.00 . A A . 10 PHE CB 1 1
5 1219 1 1 10 PHE CD1 C 1.447 -7.215 3.857 1.00 . A A . 10 PHE CD1 1 1
5 1220 1 1 10 PHE CD2 C 2.112 -4.938 4.112 1.00 . A A . 10 PHE CD2 1 1
5 1221 1 1 10 PHE CE1 C 2.477 -7.419 2.959 1.00 . A A . 10 PHE CE1 1 1
5 1222 1 1 10 PHE CE2 C 3.144 -5.136 3.214 1.00 . A A . 10 PHE CE2 1 1
5 1223 1 1 10 PHE CG C 1.252 -5.974 4.443 1.00 . A A . 10 PHE CG 1 1
5 1224 1 1 10 PHE CZ C 3.327 -6.378 2.637 1.00 . A A . 10 PHE CZ 1 1
5 1225 1 1 10 PHE H H -1.222 -4.413 2.910 1.00 . A A . 10 PHE H 1 1
5 1226 1 1 10 PHE HA H -1.499 -6.297 4.144 1.00 . A A . 10 PHE HA 1 1
5 1227 1 1 10 PHE HB2 H 0.402 -4.929 6.057 1.00 . A A . 10 PHE HB2 1 1
5 1228 1 1 10 PHE HB3 H 0.032 -6.649 6.018 1.00 . A A . 10 PHE HB3 1 1
5 1229 1 1 10 PHE HD1 H 0.783 -8.029 4.108 1.00 . A A . 10 PHE HD1 1 1
5 1230 1 1 10 PHE HD2 H 1.970 -3.967 4.562 1.00 . A A . 10 PHE HD2 1 1
5 1231 1 1 10 PHE HE1 H 2.618 -8.390 2.510 1.00 . A A . 10 PHE HE1 1 1
5 1232 1 1 10 PHE HE2 H 3.807 -4.321 2.964 1.00 . A A . 10 PHE HE2 1 1
5 1233 1 1 10 PHE HZ H 4.132 -6.535 1.935 1.00 . A A . 10 PHE HZ 1 1
5 1234 1 1 10 PHE N N -1.089 -4.295 3.873 1.00 . A A . 10 PHE N 1 1
5 1235 1 1 10 PHE O O -2.185 -5.746 6.923 1.00 . A A . 10 PHE O 1 1
5 1236 1 1 11 ALA C C -5.584 -5.064 6.113 1.00 . A A . 11 ALA C 1 1
5 1237 1 1 11 ALA CA C -4.387 -4.165 6.387 1.00 . A A . 11 ALA CA 1 1
5 1238 1 1 11 ALA CB C -4.787 -2.700 6.302 1.00 . A A . 11 ALA CB 1 1
5 1239 1 1 11 ALA H H -3.323 -4.068 4.561 1.00 . A A . 11 ALA H 1 1
5 1240 1 1 11 ALA HA H -4.029 -4.362 7.385 1.00 . A A . 11 ALA HA 1 1
5 1241 1 1 11 ALA HB1 H -5.531 -2.574 5.530 1.00 . A A . 11 ALA HB1 1 1
5 1242 1 1 11 ALA HB2 H -3.919 -2.103 6.066 1.00 . A A . 11 ALA HB2 1 1
5 1243 1 1 11 ALA HB3 H -5.195 -2.383 7.251 1.00 . A A . 11 ALA HB3 1 1
5 1244 1 1 11 ALA N N -3.299 -4.451 5.462 1.00 . A A . 11 ALA N 1 1
5 1245 1 1 11 ALA O O -6.725 -4.705 6.403 1.00 . A A . 11 ALA O 1 1
5 1246 1 1 12 GLY C C -6.726 -7.189 3.773 1.00 . A A . 12 GLY C 1 1
5 1247 1 1 12 GLY CA C -6.375 -7.177 5.247 1.00 . A A . 12 GLY CA 1 1
5 1248 1 1 12 GLY H H -4.381 -6.465 5.345 1.00 . A A . 12 GLY H 1 1
5 1249 1 1 12 GLY HA2 H -6.061 -8.168 5.540 1.00 . A A . 12 GLY HA2 1 1
5 1250 1 1 12 GLY HA3 H -7.255 -6.907 5.812 1.00 . A A . 12 GLY HA3 1 1
5 1251 1 1 12 GLY N N -5.313 -6.237 5.553 1.00 . A A . 12 GLY N 1 1
5 1252 1 1 12 GLY O O -7.073 -8.232 3.218 1.00 . A A . 12 GLY O 1 1
5 1253 1 1 13 CYS C C -5.721 -6.283 0.880 1.00 . A A . 13 CYS C 1 1
5 1254 1 1 13 CYS CA C -6.934 -5.903 1.719 1.00 . A A . 13 CYS CA 1 1
5 1255 1 1 13 CYS CB C -7.376 -4.476 1.396 1.00 . A A . 13 CYS CB 1 1
5 1256 1 1 13 CYS H H -6.344 -5.233 3.637 1.00 . A A . 13 CYS H 1 1
5 1257 1 1 13 CYS HA H -7.742 -6.582 1.492 1.00 . A A . 13 CYS HA 1 1
5 1258 1 1 13 CYS HB2 H -6.514 -3.825 1.422 1.00 . A A . 13 CYS HB2 1 1
5 1259 1 1 13 CYS HB3 H -7.808 -4.455 0.406 1.00 . A A . 13 CYS HB3 1 1
5 1260 1 1 13 CYS N N -6.630 -6.027 3.139 1.00 . A A . 13 CYS N 1 1
5 1261 1 1 13 CYS O O -5.829 -7.054 -0.074 1.00 . A A . 13 CYS O 1 1
5 1262 1 1 13 CYS SG S -8.611 -3.807 2.556 1.00 . A A . 13 CYS SG 1 1
5 1263 1 1 14 GLY C C -3.033 -5.051 -0.566 1.00 . A A . 14 GLY C 1 1
5 1264 1 1 14 GLY CA C -3.343 -6.050 0.533 1.00 . A A . 14 GLY CA 1 1
5 1265 1 1 14 GLY H H -4.539 -5.145 2.025 1.00 . A A . 14 GLY H 1 1
5 1266 1 1 14 GLY HA2 H -2.525 -6.062 1.236 1.00 . A A . 14 GLY HA2 1 1
5 1267 1 1 14 GLY HA3 H -3.435 -7.032 0.093 1.00 . A A . 14 GLY HA3 1 1
5 1268 1 1 14 GLY N N -4.564 -5.746 1.251 1.00 . A A . 14 GLY N 1 1
5 1269 1 1 14 GLY O O -2.555 -5.430 -1.635 1.00 . A A . 14 GLY O 1 1
5 1270 1 1 15 TYR C C -2.711 -1.392 -0.642 1.00 . A A . 15 TYR C 1 1
5 1271 1 1 15 TYR CA C -3.035 -2.734 -1.300 1.00 . A A . 15 TYR CA 1 1
5 1272 1 1 15 TYR CB C -4.234 -2.584 -2.238 1.00 . A A . 15 TYR CB 1 1
5 1273 1 1 15 TYR CD1 C -5.731 -4.538 -2.795 1.00 . A A . 15 TYR CD1 1 1
5 1274 1 1 15 TYR CD2 C -3.671 -4.328 -3.977 1.00 . A A . 15 TYR CD2 1 1
5 1275 1 1 15 TYR CE1 C -6.025 -5.687 -3.504 1.00 . A A . 15 TYR CE1 1 1
5 1276 1 1 15 TYR CE2 C -3.959 -5.476 -4.690 1.00 . A A . 15 TYR CE2 1 1
5 1277 1 1 15 TYR CG C -4.551 -3.840 -3.018 1.00 . A A . 15 TYR CG 1 1
5 1278 1 1 15 TYR CZ C -5.137 -6.152 -4.450 1.00 . A A . 15 TYR CZ 1 1
5 1279 1 1 15 TYR H H -3.677 -3.524 0.560 1.00 . A A . 15 TYR H 1 1
5 1280 1 1 15 TYR HA H -2.179 -3.047 -1.879 1.00 . A A . 15 TYR HA 1 1
5 1281 1 1 15 TYR HB2 H -5.106 -2.329 -1.657 1.00 . A A . 15 TYR HB2 1 1
5 1282 1 1 15 TYR HB3 H -4.033 -1.794 -2.946 1.00 . A A . 15 TYR HB3 1 1
5 1283 1 1 15 TYR HD1 H -6.426 -4.172 -2.053 1.00 . A A . 15 TYR HD1 1 1
5 1284 1 1 15 TYR HD2 H -2.749 -3.797 -4.162 1.00 . A A . 15 TYR HD2 1 1
5 1285 1 1 15 TYR HE1 H -6.948 -6.216 -3.316 1.00 . A A . 15 TYR HE1 1 1
5 1286 1 1 15 TYR HE2 H -3.262 -5.840 -5.432 1.00 . A A . 15 TYR HE2 1 1
5 1287 1 1 15 TYR HH H -6.021 -7.083 -5.882 1.00 . A A . 15 TYR HH 1 1
5 1288 1 1 15 TYR N N -3.299 -3.772 -0.310 1.00 . A A . 15 TYR N 1 1
5 1289 1 1 15 TYR O O -3.488 -0.876 0.159 1.00 . A A . 15 TYR O 1 1
5 1290 1 1 15 TYR OH O -5.426 -7.296 -5.159 1.00 . A A . 15 TYR OH 1 1
5 1291 1 1 16 ALA C C -0.654 1.388 -1.558 1.00 . A A . 16 ALA C 1 1
5 1292 1 1 16 ALA CA C -1.115 0.451 -0.453 1.00 . A A . 16 ALA CA 1 1
5 1293 1 1 16 ALA CB C 0.007 0.246 0.551 1.00 . A A . 16 ALA CB 1 1
5 1294 1 1 16 ALA H H -0.983 -1.299 -1.637 1.00 . A A . 16 ALA H 1 1
5 1295 1 1 16 ALA HA H -1.942 0.910 0.061 1.00 . A A . 16 ALA HA 1 1
5 1296 1 1 16 ALA HB1 H 0.427 1.204 0.822 1.00 . A A . 16 ALA HB1 1 1
5 1297 1 1 16 ALA HB2 H 0.776 -0.372 0.112 1.00 . A A . 16 ALA HB2 1 1
5 1298 1 1 16 ALA HB3 H -0.383 -0.238 1.434 1.00 . A A . 16 ALA HB3 1 1
5 1299 1 1 16 ALA N N -1.555 -0.834 -0.995 1.00 . A A . 16 ALA N 1 1
5 1300 1 1 16 ALA O O -0.093 0.955 -2.565 1.00 . A A . 16 ALA O 1 1
5 1301 1 1 17 VAL C C 0.964 4.140 -2.005 1.00 . A A . 17 VAL C 1 1
5 1302 1 1 17 VAL CA C -0.459 3.689 -2.312 1.00 . A A . 17 VAL CA 1 1
5 1303 1 1 17 VAL CB C -1.387 4.923 -2.288 1.00 . A A . 17 VAL CB 1 1
5 1304 1 1 17 VAL CG1 C -0.928 5.962 -3.300 1.00 . A A . 17 VAL CG1 1 1
5 1305 1 1 17 VAL CG2 C -2.828 4.522 -2.552 1.00 . A A . 17 VAL CG2 1 1
5 1306 1 1 17 VAL H H -1.309 2.963 -0.517 1.00 . A A . 17 VAL H 1 1
5 1307 1 1 17 VAL HA H -0.490 3.250 -3.299 1.00 . A A . 17 VAL HA 1 1
5 1308 1 1 17 VAL HB H -1.335 5.367 -1.304 1.00 . A A . 17 VAL HB 1 1
5 1309 1 1 17 VAL HG11 H -1.786 6.488 -3.691 1.00 . A A . 17 VAL HG11 1 1
5 1310 1 1 17 VAL HG12 H -0.408 5.471 -4.109 1.00 . A A . 17 VAL HG12 1 1
5 1311 1 1 17 VAL HG13 H -0.263 6.665 -2.819 1.00 . A A . 17 VAL HG13 1 1
5 1312 1 1 17 VAL HG21 H -2.985 4.435 -3.616 1.00 . A A . 17 VAL HG21 1 1
5 1313 1 1 17 VAL HG22 H -3.490 5.275 -2.152 1.00 . A A . 17 VAL HG22 1 1
5 1314 1 1 17 VAL HG23 H -3.033 3.574 -2.078 1.00 . A A . 17 VAL HG23 1 1
5 1315 1 1 17 VAL N N -0.874 2.680 -1.349 1.00 . A A . 17 VAL N 1 1
5 1316 1 1 17 VAL O O 1.554 4.925 -2.748 1.00 . A A . 17 VAL O 1 1
5 1317 1 1 18 VAL C C 3.519 2.839 0.273 1.00 . A A . 18 VAL C 1 1
5 1318 1 1 18 VAL CA C 2.866 3.983 -0.493 1.00 . A A . 18 VAL CA 1 1
5 1319 1 1 18 VAL CB C 2.895 5.250 0.387 1.00 . A A . 18 VAL CB 1 1
5 1320 1 1 18 VAL CG1 C 4.235 5.957 0.260 1.00 . A A . 18 VAL CG1 1 1
5 1321 1 1 18 VAL CG2 C 1.754 6.192 0.027 1.00 . A A . 18 VAL CG2 1 1
5 1322 1 1 18 VAL H H 0.986 3.007 -0.348 1.00 . A A . 18 VAL H 1 1
5 1323 1 1 18 VAL HA H 3.443 4.177 -1.386 1.00 . A A . 18 VAL HA 1 1
5 1324 1 1 18 VAL HB H 2.772 4.947 1.417 1.00 . A A . 18 VAL HB 1 1
5 1325 1 1 18 VAL HG11 H 5.027 5.223 0.214 1.00 . A A . 18 VAL HG11 1 1
5 1326 1 1 18 VAL HG12 H 4.388 6.596 1.117 1.00 . A A . 18 VAL HG12 1 1
5 1327 1 1 18 VAL HG13 H 4.244 6.553 -0.640 1.00 . A A . 18 VAL HG13 1 1
5 1328 1 1 18 VAL HG21 H 0.816 5.658 0.079 1.00 . A A . 18 VAL HG21 1 1
5 1329 1 1 18 VAL HG22 H 1.899 6.567 -0.976 1.00 . A A . 18 VAL HG22 1 1
5 1330 1 1 18 VAL HG23 H 1.737 7.019 0.721 1.00 . A A . 18 VAL HG23 1 1
5 1331 1 1 18 VAL N N 1.510 3.634 -0.901 1.00 . A A . 18 VAL N 1 1
5 1332 1 1 18 VAL O O 2.844 2.080 0.969 1.00 . A A . 18 VAL O 1 1
5 1333 1 1 19 CYS C C 6.979 2.139 1.223 1.00 . A A . 19 CYS C 1 1
5 1334 1 1 19 CYS CA C 5.579 1.671 0.826 1.00 . A A . 19 CYS CA 1 1
5 1335 1 1 19 CYS CB C 5.675 0.428 -0.060 1.00 . A A . 19 CYS CB 1 1
5 1336 1 1 19 CYS H H 5.315 3.360 -0.426 1.00 . A A . 19 CYS H 1 1
5 1337 1 1 19 CYS HA H 5.035 1.416 1.723 1.00 . A A . 19 CYS HA 1 1
5 1338 1 1 19 CYS HB2 H 6.448 -0.219 0.328 1.00 . A A . 19 CYS HB2 1 1
5 1339 1 1 19 CYS HB3 H 4.732 -0.093 -0.033 1.00 . A A . 19 CYS HB3 1 1
5 1340 1 1 19 CYS N N 4.835 2.723 0.142 1.00 . A A . 19 CYS N 1 1
5 1341 1 1 19 CYS O O 7.826 1.329 1.600 1.00 . A A . 19 CYS O 1 1
5 1342 1 1 19 CYS SG S 6.075 0.778 -1.807 1.00 . A A . 19 CYS SG 1 1
5 1343 1 1 20 PHE C C 8.376 5.431 2.024 1.00 . A A . 20 PHE C 1 1
5 1344 1 1 20 PHE CA C 8.519 4.005 1.499 1.00 . A A . 20 PHE CA 1 1
5 1345 1 1 20 PHE CB C 9.456 3.986 0.291 1.00 . A A . 20 PHE CB 1 1
5 1346 1 1 20 PHE CD1 C 8.521 3.676 -2.016 1.00 . A A . 20 PHE CD1 1 1
5 1347 1 1 20 PHE CD2 C 8.550 5.874 -1.091 1.00 . A A . 20 PHE CD2 1 1
5 1348 1 1 20 PHE CE1 C 7.945 4.167 -3.172 1.00 . A A . 20 PHE CE1 1 1
5 1349 1 1 20 PHE CE2 C 7.974 6.371 -2.245 1.00 . A A . 20 PHE CE2 1 1
5 1350 1 1 20 PHE CG C 8.829 4.523 -0.964 1.00 . A A . 20 PHE CG 1 1
5 1351 1 1 20 PHE CZ C 7.671 5.516 -3.287 1.00 . A A . 20 PHE CZ 1 1
5 1352 1 1 20 PHE H H 6.510 4.047 0.840 1.00 . A A . 20 PHE H 1 1
5 1353 1 1 20 PHE HA H 8.941 3.389 2.279 1.00 . A A . 20 PHE HA 1 1
5 1354 1 1 20 PHE HB2 H 10.326 4.587 0.509 1.00 . A A . 20 PHE HB2 1 1
5 1355 1 1 20 PHE HB3 H 9.765 2.969 0.100 1.00 . A A . 20 PHE HB3 1 1
5 1356 1 1 20 PHE HD1 H 8.734 2.621 -1.927 1.00 . A A . 20 PHE HD1 1 1
5 1357 1 1 20 PHE HD2 H 8.786 6.543 -0.277 1.00 . A A . 20 PHE HD2 1 1
5 1358 1 1 20 PHE HE1 H 7.710 3.497 -3.986 1.00 . A A . 20 PHE HE1 1 1
5 1359 1 1 20 PHE HE2 H 7.761 7.426 -2.331 1.00 . A A . 20 PHE HE2 1 1
5 1360 1 1 20 PHE HZ H 7.221 5.903 -4.190 1.00 . A A . 20 PHE HZ 1 1
5 1361 1 1 20 PHE N N 7.220 3.445 1.141 1.00 . A A . 20 PHE N 1 1
5 1362 1 1 20 PHE O O 9.326 6.213 1.976 1.00 . A A . 20 PHE O 1 1
5 1363 1 1 21 DTR C C 7.224 7.163 4.549 1.00 . A A . 21 DTR C 1 1
5 1364 1 1 21 DTR CA C 6.888 7.090 3.063 1.00 . A A . 21 DTR CA 1 1
5 1365 1 1 21 DTR CB C 7.641 8.186 2.296 1.00 . A A . 21 DTR CB 1 1
5 1366 1 1 21 DTR CD1 C 5.534 9.407 1.502 1.00 . A A . 21 DTR CD1 1 1
5 1367 1 1 21 DTR CD2 C 7.168 10.762 2.214 1.00 . A A . 21 DTR CD2 1 1
5 1368 1 1 21 DTR CE2 C 6.075 11.551 1.808 1.00 . A A . 21 DTR CE2 1 1
5 1369 1 1 21 DTR CE3 C 8.314 11.397 2.700 1.00 . A A . 21 DTR CE3 1 1
5 1370 1 1 21 DTR CG C 6.801 9.393 2.011 1.00 . A A . 21 DTR CG 1 1
5 1371 1 1 21 DTR CH2 C 7.230 13.537 2.355 1.00 . A A . 21 DTR CH2 1 1
5 1372 1 1 21 DTR CZ2 C 6.096 12.942 1.875 1.00 . A A . 21 DTR CZ2 1 1
5 1373 1 1 21 DTR CZ3 C 8.333 12.777 2.766 1.00 . A A . 21 DTR CZ3 1 1
5 1374 1 1 21 DTR H H 6.472 5.083 2.533 1.00 . A A . 21 DTR H 1 1
5 1375 1 1 21 DTR HA H 5.827 7.256 2.948 1.00 . A A . 21 DTR HA 1 1
5 1376 1 1 21 DTR HB2 H 8.495 8.502 2.875 1.00 . A A . 21 DTR HB2 1 1
5 1377 1 1 21 DTR HB3 H 7.980 7.787 1.351 1.00 . A A . 21 DTR HB3 1 1
5 1378 1 1 21 DTR HD1 H 4.974 8.521 1.240 1.00 . A A . 21 DTR HD1 1 1
5 1379 1 1 21 DTR HE1 H 4.212 10.972 1.037 1.00 . A A . 21 DTR HE1 1 1
5 1380 1 1 21 DTR HE3 H 9.174 10.828 3.022 1.00 . A A . 21 DTR HE3 1 1
5 1381 1 1 21 DTR HH2 H 7.290 14.613 2.423 1.00 . A A . 21 DTR HH2 1 1
5 1382 1 1 21 DTR HZ2 H 5.253 13.542 1.562 1.00 . A A . 21 DTR HZ2 1 1
5 1383 1 1 21 DTR HZ3 H 9.210 13.285 3.138 1.00 . A A . 21 DTR HZ3 1 1
5 1384 1 1 21 DTR N N 7.181 5.758 2.525 1.00 . A A . 21 DTR N 1 1
5 1385 1 1 21 DTR NE1 N 5.090 10.701 1.378 1.00 . A A . 21 DTR NE1 1 1
6 1386 1 1 1 CYS C C -6.224 -0.315 1.283 1.00 . A A . 1 CYS C 1 1
6 1387 1 1 1 CYS CA C -5.536 -1.444 2.049 1.00 . A A . 1 CYS CA 1 1
6 1388 1 1 1 CYS CB C -6.483 -2.029 3.109 1.00 . A A . 1 CYS CB 1 1
6 1389 1 1 1 CYS H1 H -4.260 0.016 2.739 1.00 . A A . 1 CYS H1 1 1
6 1390 1 1 1 CYS HA H -5.264 -2.222 1.352 1.00 . A A . 1 CYS HA 1 1
6 1391 1 1 1 CYS HB2 H -6.193 -3.048 3.312 1.00 . A A . 1 CYS HB2 1 1
6 1392 1 1 1 CYS HB3 H -6.391 -1.450 4.016 1.00 . A A . 1 CYS HB3 1 1
6 1393 1 1 1 CYS N N -4.312 -0.961 2.681 1.00 . A A . 1 CYS N 1 1
6 1394 1 1 1 CYS O O -6.942 0.498 1.866 1.00 . A A . 1 CYS O 1 1
6 1395 1 1 1 CYS SG S -8.247 -2.045 2.637 1.00 . A A . 1 CYS SG 1 1
6 1396 1 1 2 LEU C C -6.886 0.221 -2.267 1.00 . A A . 2 LEU C 1 1
6 1397 1 1 2 LEU CA C -6.588 0.761 -0.872 1.00 . A A . 2 LEU CA 1 1
6 1398 1 1 2 LEU CB C -5.654 1.969 -0.959 1.00 . A A . 2 LEU CB 1 1
6 1399 1 1 2 LEU CD1 C -3.918 3.388 0.163 1.00 . A A . 2 LEU CD1 1 1
6 1400 1 1 2 LEU CD2 C -6.165 3.099 1.220 1.00 . A A . 2 LEU CD2 1 1
6 1401 1 1 2 LEU CG C -5.082 2.437 0.381 1.00 . A A . 2 LEU CG 1 1
6 1402 1 1 2 LEU H H -5.411 -0.943 -0.430 1.00 . A A . 2 LEU H 1 1
6 1403 1 1 2 LEU HA H -7.515 1.070 -0.418 1.00 . A A . 2 LEU HA 1 1
6 1404 1 1 2 LEU HB2 H -4.831 1.716 -1.612 1.00 . A A . 2 LEU HB2 1 1
6 1405 1 1 2 LEU HB3 H -6.201 2.790 -1.398 1.00 . A A . 2 LEU HB3 1 1
6 1406 1 1 2 LEU HD11 H -3.253 2.978 -0.583 1.00 . A A . 2 LEU HD11 1 1
6 1407 1 1 2 LEU HD12 H -3.381 3.519 1.091 1.00 . A A . 2 LEU HD12 1 1
6 1408 1 1 2 LEU HD13 H -4.292 4.343 -0.175 1.00 . A A . 2 LEU HD13 1 1
6 1409 1 1 2 LEU HD21 H -7.133 2.736 0.909 1.00 . A A . 2 LEU HD21 1 1
6 1410 1 1 2 LEU HD22 H -6.121 4.169 1.085 1.00 . A A . 2 LEU HD22 1 1
6 1411 1 1 2 LEU HD23 H -6.009 2.860 2.262 1.00 . A A . 2 LEU HD23 1 1
6 1412 1 1 2 LEU HG H -4.712 1.581 0.925 1.00 . A A . 2 LEU HG 1 1
6 1413 1 1 2 LEU N N -5.996 -0.270 -0.025 1.00 . A A . 2 LEU N 1 1
6 1414 1 1 2 LEU O O -6.485 -0.889 -2.613 1.00 . A A . 2 LEU O 1 1
6 1415 1 1 3 GLY C C -6.796 0.760 -5.393 1.00 . A A . 3 GLY C 1 1
6 1416 1 1 3 GLY CA C -7.941 0.595 -4.409 1.00 . A A . 3 GLY CA 1 1
6 1417 1 1 3 GLY H H -7.893 1.886 -2.731 1.00 . A A . 3 GLY H 1 1
6 1418 1 1 3 GLY HA2 H -8.231 -0.445 -4.386 1.00 . A A . 3 GLY HA2 1 1
6 1419 1 1 3 GLY HA3 H -8.780 1.182 -4.751 1.00 . A A . 3 GLY HA3 1 1
6 1420 1 1 3 GLY N N -7.597 1.013 -3.062 1.00 . A A . 3 GLY N 1 1
6 1421 1 1 3 GLY O O -6.949 0.474 -6.580 1.00 . A A . 3 GLY O 1 1
6 1422 1 1 4 VAL C C -3.616 0.163 -5.808 1.00 . A A . 4 VAL C 1 1
6 1423 1 1 4 VAL CA C -4.483 1.418 -5.764 1.00 . A A . 4 VAL CA 1 1
6 1424 1 1 4 VAL CB C -3.627 2.609 -5.293 1.00 . A A . 4 VAL CB 1 1
6 1425 1 1 4 VAL CG1 C -2.618 2.998 -6.363 1.00 . A A . 4 VAL CG1 1 1
6 1426 1 1 4 VAL CG2 C -4.512 3.793 -4.932 1.00 . A A . 4 VAL CG2 1 1
6 1427 1 1 4 VAL H H -5.580 1.434 -3.950 1.00 . A A . 4 VAL H 1 1
6 1428 1 1 4 VAL HA H -4.839 1.631 -6.762 1.00 . A A . 4 VAL HA 1 1
6 1429 1 1 4 VAL HB H -3.083 2.310 -4.408 1.00 . A A . 4 VAL HB 1 1
6 1430 1 1 4 VAL HG11 H -3.038 2.810 -7.339 1.00 . A A . 4 VAL HG11 1 1
6 1431 1 1 4 VAL HG12 H -1.718 2.414 -6.239 1.00 . A A . 4 VAL HG12 1 1
6 1432 1 1 4 VAL HG13 H -2.381 4.048 -6.269 1.00 . A A . 4 VAL HG13 1 1
6 1433 1 1 4 VAL HG21 H -5.408 3.769 -5.534 1.00 . A A . 4 VAL HG21 1 1
6 1434 1 1 4 VAL HG22 H -3.978 4.713 -5.118 1.00 . A A . 4 VAL HG22 1 1
6 1435 1 1 4 VAL HG23 H -4.780 3.737 -3.887 1.00 . A A . 4 VAL HG23 1 1
6 1436 1 1 4 VAL N N -5.647 1.221 -4.905 1.00 . A A . 4 VAL N 1 1
6 1437 1 1 4 VAL O O -3.729 -0.709 -4.948 1.00 . A A . 4 VAL O 1 1
6 1438 1 1 5 GLY C C -0.431 -0.714 -7.147 1.00 . A A . 5 GLY C 1 1
6 1439 1 1 5 GLY CA C -1.891 -1.084 -6.955 1.00 . A A . 5 GLY CA 1 1
6 1440 1 1 5 GLY H H -2.713 0.796 -7.478 1.00 . A A . 5 GLY H 1 1
6 1441 1 1 5 GLY HA2 H -1.980 -1.692 -6.068 1.00 . A A . 5 GLY HA2 1 1
6 1442 1 1 5 GLY HA3 H -2.217 -1.662 -7.807 1.00 . A A . 5 GLY HA3 1 1
6 1443 1 1 5 GLY N N -2.756 0.074 -6.819 1.00 . A A . 5 GLY N 1 1
6 1444 1 1 5 GLY O O 0.190 -1.106 -8.135 1.00 . A A . 5 GLY O 1 1
6 1445 1 1 6 SER C C 2.338 -0.288 -5.203 1.00 . A A . 6 SER C 1 1
6 1446 1 1 6 SER CA C 1.519 0.445 -6.260 1.00 . A A . 6 SER CA 1 1
6 1447 1 1 6 SER CB C 1.638 1.956 -6.060 1.00 . A A . 6 SER CB 1 1
6 1448 1 1 6 SER H H -0.424 0.308 -5.428 1.00 . A A . 6 SER H 1 1
6 1449 1 1 6 SER HA H 1.898 0.187 -7.238 1.00 . A A . 6 SER HA 1 1
6 1450 1 1 6 SER HB2 H 1.081 2.246 -5.181 1.00 . A A . 6 SER HB2 1 1
6 1451 1 1 6 SER HB3 H 2.677 2.219 -5.929 1.00 . A A . 6 SER HB3 1 1
6 1452 1 1 6 SER HG H 1.746 3.348 -7.434 1.00 . A A . 6 SER HG 1 1
6 1453 1 1 6 SER N N 0.120 0.033 -6.196 1.00 . A A . 6 SER N 1 1
6 1454 1 1 6 SER O O 3.494 -0.646 -5.429 1.00 . A A . 6 SER O 1 1
6 1455 1 1 6 SER OG O 1.126 2.662 -7.177 1.00 . A A . 6 SER OG 1 1
6 1456 1 1 7 CYS C C 1.315 -1.948 -2.121 1.00 . A A . 7 CYS C 1 1
6 1457 1 1 7 CYS CA C 2.364 -1.205 -2.943 1.00 . A A . 7 CYS CA 1 1
6 1458 1 1 7 CYS CB C 3.127 -0.209 -2.064 1.00 . A A . 7 CYS CB 1 1
6 1459 1 1 7 CYS H H 0.796 -0.201 -3.941 1.00 . A A . 7 CYS H 1 1
6 1460 1 1 7 CYS HA H 3.059 -1.922 -3.354 1.00 . A A . 7 CYS HA 1 1
6 1461 1 1 7 CYS HB2 H 3.165 0.746 -2.565 1.00 . A A . 7 CYS HB2 1 1
6 1462 1 1 7 CYS HB3 H 2.605 -0.095 -1.124 1.00 . A A . 7 CYS HB3 1 1
6 1463 1 1 7 CYS N N 1.720 -0.510 -4.050 1.00 . A A . 7 CYS N 1 1
6 1464 1 1 7 CYS O O 0.223 -2.228 -2.614 1.00 . A A . 7 CYS O 1 1
6 1465 1 1 7 CYS SG S 4.840 -0.705 -1.691 1.00 . A A . 7 CYS SG 1 1
6 1466 1 1 8 VAL C C 0.643 -2.337 1.379 1.00 . A A . 8 VAL C 1 1
6 1467 1 1 8 VAL CA C 0.694 -2.957 -0.006 1.00 . A A . 8 VAL CA 1 1
6 1468 1 1 8 VAL CB C 1.043 -4.443 0.152 1.00 . A A . 8 VAL CB 1 1
6 1469 1 1 8 VAL CG1 C -0.089 -5.197 0.833 1.00 . A A . 8 VAL CG1 1 1
6 1470 1 1 8 VAL CG2 C 1.382 -5.068 -1.192 1.00 . A A . 8 VAL CG2 1 1
6 1471 1 1 8 VAL H H 2.516 -2.007 -0.520 1.00 . A A . 8 VAL H 1 1
6 1472 1 1 8 VAL HA H -0.286 -2.886 -0.456 1.00 . A A . 8 VAL HA 1 1
6 1473 1 1 8 VAL HB H 1.906 -4.508 0.786 1.00 . A A . 8 VAL HB 1 1
6 1474 1 1 8 VAL HG11 H 0.215 -5.479 1.831 1.00 . A A . 8 VAL HG11 1 1
6 1475 1 1 8 VAL HG12 H -0.327 -6.084 0.266 1.00 . A A . 8 VAL HG12 1 1
6 1476 1 1 8 VAL HG13 H -0.960 -4.564 0.891 1.00 . A A . 8 VAL HG13 1 1
6 1477 1 1 8 VAL HG21 H 1.891 -6.007 -1.034 1.00 . A A . 8 VAL HG21 1 1
6 1478 1 1 8 VAL HG22 H 2.021 -4.400 -1.749 1.00 . A A . 8 VAL HG22 1 1
6 1479 1 1 8 VAL HG23 H 0.471 -5.241 -1.746 1.00 . A A . 8 VAL HG23 1 1
6 1480 1 1 8 VAL N N 1.636 -2.258 -0.870 1.00 . A A . 8 VAL N 1 1
6 1481 1 1 8 VAL O O 1.635 -1.807 1.880 1.00 . A A . 8 VAL O 1 1
6 1482 1 1 9 ASP C C -0.832 -3.021 4.355 1.00 . A A . 9 ASP C 1 1
6 1483 1 1 9 ASP CA C -0.736 -1.892 3.332 1.00 . A A . 9 ASP CA 1 1
6 1484 1 1 9 ASP CB C -2.002 -1.030 3.385 1.00 . A A . 9 ASP CB 1 1
6 1485 1 1 9 ASP CG C -3.187 -1.672 2.686 1.00 . A A . 9 ASP CG 1 1
6 1486 1 1 9 ASP H H -1.260 -2.871 1.528 1.00 . A A . 9 ASP H 1 1
6 1487 1 1 9 ASP HA H 0.116 -1.276 3.579 1.00 . A A . 9 ASP HA 1 1
6 1488 1 1 9 ASP HB2 H -2.269 -0.862 4.418 1.00 . A A . 9 ASP HB2 1 1
6 1489 1 1 9 ASP HB3 H -1.802 -0.079 2.914 1.00 . A A . 9 ASP HB3 1 1
6 1490 1 1 9 ASP N N -0.524 -2.425 1.991 1.00 . A A . 9 ASP N 1 1
6 1491 1 1 9 ASP O O -0.678 -2.797 5.556 1.00 . A A . 9 ASP O 1 1
6 1492 1 1 9 ASP OD1 O -3.090 -2.783 2.164 1.00 . A A . 9 ASP OD1 1 1
6 1493 1 1 10 PHE C C -2.310 -5.203 5.768 1.00 . A A . 10 PHE C 1 1
6 1494 1 1 10 PHE CA C -1.197 -5.397 4.746 1.00 . A A . 10 PHE CA 1 1
6 1495 1 1 10 PHE CB C 0.128 -5.655 5.462 1.00 . A A . 10 PHE CB 1 1
6 1496 1 1 10 PHE CD1 C -0.110 -7.836 6.680 1.00 . A A . 10 PHE CD1 1 1
6 1497 1 1 10 PHE CD2 C 1.296 -7.761 4.755 1.00 . A A . 10 PHE CD2 1 1
6 1498 1 1 10 PHE CE1 C 0.179 -9.178 6.843 1.00 . A A . 10 PHE CE1 1 1
6 1499 1 1 10 PHE CE2 C 1.589 -9.103 4.913 1.00 . A A . 10 PHE CE2 1 1
6 1500 1 1 10 PHE CG C 0.445 -7.114 5.636 1.00 . A A . 10 PHE CG 1 1
6 1501 1 1 10 PHE CZ C 1.029 -9.812 5.958 1.00 . A A . 10 PHE CZ 1 1
6 1502 1 1 10 PHE H H -1.196 -4.353 2.907 1.00 . A A . 10 PHE H 1 1
6 1503 1 1 10 PHE HA H -1.436 -6.250 4.130 1.00 . A A . 10 PHE HA 1 1
6 1504 1 1 10 PHE HB2 H 0.929 -5.207 4.893 1.00 . A A . 10 PHE HB2 1 1
6 1505 1 1 10 PHE HB3 H 0.092 -5.202 6.442 1.00 . A A . 10 PHE HB3 1 1
6 1506 1 1 10 PHE HD1 H -0.775 -7.342 7.373 1.00 . A A . 10 PHE HD1 1 1
6 1507 1 1 10 PHE HD2 H 1.734 -7.208 3.938 1.00 . A A . 10 PHE HD2 1 1
6 1508 1 1 10 PHE HE1 H -0.259 -9.730 7.661 1.00 . A A . 10 PHE HE1 1 1
6 1509 1 1 10 PHE HE2 H 2.254 -9.596 4.220 1.00 . A A . 10 PHE HE2 1 1
6 1510 1 1 10 PHE HZ H 1.257 -10.861 6.083 1.00 . A A . 10 PHE HZ 1 1
6 1511 1 1 10 PHE N N -1.084 -4.235 3.873 1.00 . A A . 10 PHE N 1 1
6 1512 1 1 10 PHE O O -2.240 -5.722 6.882 1.00 . A A . 10 PHE O 1 1
6 1513 1 1 11 ALA C C -5.624 -5.135 5.955 1.00 . A A . 11 ALA C 1 1
6 1514 1 1 11 ALA CA C -4.464 -4.200 6.265 1.00 . A A . 11 ALA CA 1 1
6 1515 1 1 11 ALA CB C -4.905 -2.748 6.158 1.00 . A A . 11 ALA CB 1 1
6 1516 1 1 11 ALA H H -3.336 -4.071 4.480 1.00 . A A . 11 ALA H 1 1
6 1517 1 1 11 ALA HA H -4.137 -4.380 7.277 1.00 . A A . 11 ALA HA 1 1
6 1518 1 1 11 ALA HB1 H -4.099 -2.157 5.748 1.00 . A A . 11 ALA HB1 1 1
6 1519 1 1 11 ALA HB2 H -5.162 -2.376 7.138 1.00 . A A . 11 ALA HB2 1 1
6 1520 1 1 11 ALA HB3 H -5.766 -2.680 5.510 1.00 . A A . 11 ALA HB3 1 1
6 1521 1 1 11 ALA N N -3.336 -4.456 5.381 1.00 . A A . 11 ALA N 1 1
6 1522 1 1 11 ALA O O -6.785 -4.810 6.207 1.00 . A A . 11 ALA O 1 1
6 1523 1 1 12 GLY C C -6.659 -7.258 3.591 1.00 . A A . 12 GLY C 1 1
6 1524 1 1 12 GLY CA C -6.325 -7.269 5.068 1.00 . A A . 12 GLY CA 1 1
6 1525 1 1 12 GLY H H -4.356 -6.499 5.228 1.00 . A A . 12 GLY H 1 1
6 1526 1 1 12 GLY HA2 H -5.976 -8.254 5.341 1.00 . A A . 12 GLY HA2 1 1
6 1527 1 1 12 GLY HA3 H -7.219 -7.045 5.630 1.00 . A A . 12 GLY HA3 1 1
6 1528 1 1 12 GLY N N -5.301 -6.298 5.406 1.00 . A A . 12 GLY N 1 1
6 1529 1 1 12 GLY O O -7.058 -8.278 3.029 1.00 . A A . 12 GLY O 1 1
6 1530 1 1 13 CYS C C -5.512 -6.278 0.729 1.00 . A A . 13 CYS C 1 1
6 1531 1 1 13 CYS CA C -6.761 -5.960 1.538 1.00 . A A . 13 CYS CA 1 1
6 1532 1 1 13 CYS CB C -7.244 -4.542 1.231 1.00 . A A . 13 CYS CB 1 1
6 1533 1 1 13 CYS H H -6.156 -5.328 3.464 1.00 . A A . 13 CYS H 1 1
6 1534 1 1 13 CYS HA H -7.537 -6.664 1.276 1.00 . A A . 13 CYS HA 1 1
6 1535 1 1 13 CYS HB2 H -6.430 -3.850 1.389 1.00 . A A . 13 CYS HB2 1 1
6 1536 1 1 13 CYS HB3 H -7.557 -4.492 0.198 1.00 . A A . 13 CYS HB3 1 1
6 1537 1 1 13 CYS N N -6.485 -6.103 2.961 1.00 . A A . 13 CYS N 1 1
6 1538 1 1 13 CYS O O -5.570 -6.989 -0.275 1.00 . A A . 13 CYS O 1 1
6 1539 1 1 13 CYS SG S -8.643 -4.000 2.264 1.00 . A A . 13 CYS SG 1 1
6 1540 1 1 14 GLY C C -2.836 -4.997 -0.591 1.00 . A A . 14 GLY C 1 1
6 1541 1 1 14 GLY CA C -3.124 -6.002 0.507 1.00 . A A . 14 GLY CA 1 1
6 1542 1 1 14 GLY H H -4.397 -5.205 1.995 1.00 . A A . 14 GLY H 1 1
6 1543 1 1 14 GLY HA2 H -2.328 -5.963 1.234 1.00 . A A . 14 GLY HA2 1 1
6 1544 1 1 14 GLY HA3 H -3.152 -6.991 0.075 1.00 . A A . 14 GLY HA3 1 1
6 1545 1 1 14 GLY N N -4.380 -5.756 1.185 1.00 . A A . 14 GLY N 1 1
6 1546 1 1 14 GLY O O -2.322 -5.362 -1.648 1.00 . A A . 14 GLY O 1 1
6 1547 1 1 15 TYR C C -2.663 -1.330 -0.702 1.00 . A A . 15 TYR C 1 1
6 1548 1 1 15 TYR CA C -2.920 -2.693 -1.344 1.00 . A A . 15 TYR CA 1 1
6 1549 1 1 15 TYR CB C -4.100 -2.600 -2.312 1.00 . A A . 15 TYR CB 1 1
6 1550 1 1 15 TYR CD1 C -5.661 -4.580 -2.436 1.00 . A A . 15 TYR CD1 1 1
6 1551 1 1 15 TYR CD2 C -3.775 -4.541 -3.894 1.00 . A A . 15 TYR CD2 1 1
6 1552 1 1 15 TYR CE1 C -6.049 -5.797 -2.962 1.00 . A A . 15 TYR CE1 1 1
6 1553 1 1 15 TYR CE2 C -4.157 -5.758 -4.426 1.00 . A A . 15 TYR CE2 1 1
6 1554 1 1 15 TYR CG C -4.519 -3.932 -2.891 1.00 . A A . 15 TYR CG 1 1
6 1555 1 1 15 TYR CZ C -5.294 -6.382 -3.957 1.00 . A A . 15 TYR CZ 1 1
6 1556 1 1 15 TYR H H -3.567 -3.490 0.511 1.00 . A A . 15 TYR H 1 1
6 1557 1 1 15 TYR HA H -2.039 -2.979 -1.899 1.00 . A A . 15 TYR HA 1 1
6 1558 1 1 15 TYR HB2 H -4.948 -2.185 -1.794 1.00 . A A . 15 TYR HB2 1 1
6 1559 1 1 15 TYR HB3 H -3.832 -1.951 -3.133 1.00 . A A . 15 TYR HB3 1 1
6 1560 1 1 15 TYR HD1 H -6.250 -4.119 -1.656 1.00 . A A . 15 TYR HD1 1 1
6 1561 1 1 15 TYR HD2 H -2.885 -4.051 -4.259 1.00 . A A . 15 TYR HD2 1 1
6 1562 1 1 15 TYR HE1 H -6.940 -6.284 -2.594 1.00 . A A . 15 TYR HE1 1 1
6 1563 1 1 15 TYR HE2 H -3.566 -6.216 -5.205 1.00 . A A . 15 TYR HE2 1 1
6 1564 1 1 15 TYR HH H -6.634 -7.616 -4.573 1.00 . A A . 15 TYR HH 1 1
6 1565 1 1 15 TYR N N -3.162 -3.730 -0.349 1.00 . A A . 15 TYR N 1 1
6 1566 1 1 15 TYR O O -3.493 -0.810 0.041 1.00 . A A . 15 TYR O 1 1
6 1567 1 1 15 TYR OH O -5.678 -7.594 -4.484 1.00 . A A . 15 TYR OH 1 1
6 1568 1 1 16 ALA C C -0.488 1.394 -1.599 1.00 . A A . 16 ALA C 1 1
6 1569 1 1 16 ALA CA C -1.108 0.547 -0.502 1.00 . A A . 16 ALA CA 1 1
6 1570 1 1 16 ALA CB C -0.128 0.395 0.649 1.00 . A A . 16 ALA CB 1 1
6 1571 1 1 16 ALA H H -0.900 -1.234 -1.617 1.00 . A A . 16 ALA H 1 1
6 1572 1 1 16 ALA HA H -1.982 1.055 -0.131 1.00 . A A . 16 ALA HA 1 1
6 1573 1 1 16 ALA HB1 H 0.765 -0.101 0.299 1.00 . A A . 16 ALA HB1 1 1
6 1574 1 1 16 ALA HB2 H -0.582 -0.191 1.432 1.00 . A A . 16 ALA HB2 1 1
6 1575 1 1 16 ALA HB3 H 0.130 1.370 1.034 1.00 . A A . 16 ALA HB3 1 1
6 1576 1 1 16 ALA N N -1.505 -0.761 -1.015 1.00 . A A . 16 ALA N 1 1
6 1577 1 1 16 ALA O O 0.136 0.875 -2.524 1.00 . A A . 16 ALA O 1 1
6 1578 1 1 17 VAL C C 1.335 4.007 -2.016 1.00 . A A . 17 VAL C 1 1
6 1579 1 1 17 VAL CA C -0.075 3.631 -2.437 1.00 . A A . 17 VAL CA 1 1
6 1580 1 1 17 VAL CB C -0.906 4.923 -2.563 1.00 . A A . 17 VAL CB 1 1
6 1581 1 1 17 VAL CG1 C -1.993 4.761 -3.611 1.00 . A A . 17 VAL CG1 1 1
6 1582 1 1 17 VAL CG2 C -1.503 5.330 -1.223 1.00 . A A . 17 VAL CG2 1 1
6 1583 1 1 17 VAL H H -1.132 3.055 -0.704 1.00 . A A . 17 VAL H 1 1
6 1584 1 1 17 VAL HA H -0.041 3.143 -3.401 1.00 . A A . 17 VAL HA 1 1
6 1585 1 1 17 VAL HB H -0.244 5.711 -2.882 1.00 . A A . 17 VAL HB 1 1
6 1586 1 1 17 VAL HG11 H -2.850 4.277 -3.167 1.00 . A A . 17 VAL HG11 1 1
6 1587 1 1 17 VAL HG12 H -1.620 4.158 -4.425 1.00 . A A . 17 VAL HG12 1 1
6 1588 1 1 17 VAL HG13 H -2.281 5.732 -3.985 1.00 . A A . 17 VAL HG13 1 1
6 1589 1 1 17 VAL HG21 H -2.475 4.876 -1.110 1.00 . A A . 17 VAL HG21 1 1
6 1590 1 1 17 VAL HG22 H -1.602 6.405 -1.185 1.00 . A A . 17 VAL HG22 1 1
6 1591 1 1 17 VAL HG23 H -0.855 5.001 -0.424 1.00 . A A . 17 VAL HG23 1 1
6 1592 1 1 17 VAL N N -0.642 2.704 -1.473 1.00 . A A . 17 VAL N 1 1
6 1593 1 1 17 VAL O O 2.048 4.708 -2.734 1.00 . A A . 17 VAL O 1 1
6 1594 1 1 18 VAL C C 3.540 2.688 0.587 1.00 . A A . 18 VAL C 1 1
6 1595 1 1 18 VAL CA C 3.052 3.822 -0.309 1.00 . A A . 18 VAL CA 1 1
6 1596 1 1 18 VAL CB C 3.054 5.143 0.482 1.00 . A A . 18 VAL CB 1 1
6 1597 1 1 18 VAL CG1 C 4.457 5.493 0.955 1.00 . A A . 18 VAL CG1 1 1
6 1598 1 1 18 VAL CG2 C 2.473 6.268 -0.361 1.00 . A A . 18 VAL CG2 1 1
6 1599 1 1 18 VAL H H 1.106 2.980 -0.308 1.00 . A A . 18 VAL H 1 1
6 1600 1 1 18 VAL HA H 3.729 3.925 -1.144 1.00 . A A . 18 VAL HA 1 1
6 1601 1 1 18 VAL HB H 2.428 5.015 1.349 1.00 . A A . 18 VAL HB 1 1
6 1602 1 1 18 VAL HG11 H 4.748 4.821 1.748 1.00 . A A . 18 VAL HG11 1 1
6 1603 1 1 18 VAL HG12 H 4.470 6.509 1.321 1.00 . A A . 18 VAL HG12 1 1
6 1604 1 1 18 VAL HG13 H 5.149 5.399 0.131 1.00 . A A . 18 VAL HG13 1 1
6 1605 1 1 18 VAL HG21 H 2.956 6.280 -1.327 1.00 . A A . 18 VAL HG21 1 1
6 1606 1 1 18 VAL HG22 H 2.638 7.212 0.137 1.00 . A A . 18 VAL HG22 1 1
6 1607 1 1 18 VAL HG23 H 1.413 6.109 -0.491 1.00 . A A . 18 VAL HG23 1 1
6 1608 1 1 18 VAL N N 1.728 3.536 -0.837 1.00 . A A . 18 VAL N 1 1
6 1609 1 1 18 VAL O O 2.753 1.857 1.039 1.00 . A A . 18 VAL O 1 1
6 1610 1 1 19 CYS C C 6.500 2.216 2.597 1.00 . A A . 19 CYS C 1 1
6 1611 1 1 19 CYS CA C 5.440 1.626 1.673 1.00 . A A . 19 CYS CA 1 1
6 1612 1 1 19 CYS CB C 6.056 0.529 0.802 1.00 . A A . 19 CYS CB 1 1
6 1613 1 1 19 CYS H H 5.417 3.348 0.443 1.00 . A A . 19 CYS H 1 1
6 1614 1 1 19 CYS HA H 4.657 1.197 2.275 1.00 . A A . 19 CYS HA 1 1
6 1615 1 1 19 CYS HB2 H 6.430 0.971 -0.109 1.00 . A A . 19 CYS HB2 1 1
6 1616 1 1 19 CYS HB3 H 6.875 0.072 1.338 1.00 . A A . 19 CYS HB3 1 1
6 1617 1 1 19 CYS N N 4.843 2.659 0.835 1.00 . A A . 19 CYS N 1 1
6 1618 1 1 19 CYS O O 6.553 1.895 3.784 1.00 . A A . 19 CYS O 1 1
6 1619 1 1 19 CYS SG S 4.890 -0.793 0.337 1.00 . A A . 19 CYS SG 1 1
6 1620 1 1 20 PHE C C 8.116 5.207 3.002 1.00 . A A . 20 PHE C 1 1
6 1621 1 1 20 PHE CA C 8.402 3.720 2.814 1.00 . A A . 20 PHE CA 1 1
6 1622 1 1 20 PHE CB C 9.767 3.527 2.135 1.00 . A A . 20 PHE CB 1 1
6 1623 1 1 20 PHE CD1 C 10.110 4.136 -0.279 1.00 . A A . 20 PHE CD1 1 1
6 1624 1 1 20 PHE CD2 C 9.198 1.992 0.228 1.00 . A A . 20 PHE CD2 1 1
6 1625 1 1 20 PHE CE1 C 10.041 3.849 -1.630 1.00 . A A . 20 PHE CE1 1 1
6 1626 1 1 20 PHE CE2 C 9.127 1.700 -1.121 1.00 . A A . 20 PHE CE2 1 1
6 1627 1 1 20 PHE CG C 9.689 3.212 0.664 1.00 . A A . 20 PHE CG 1 1
6 1628 1 1 20 PHE CZ C 9.549 2.629 -2.051 1.00 . A A . 20 PHE CZ 1 1
6 1629 1 1 20 PHE H H 7.245 3.294 1.093 1.00 . A A . 20 PHE H 1 1
6 1630 1 1 20 PHE HA H 8.428 3.252 3.785 1.00 . A A . 20 PHE HA 1 1
6 1631 1 1 20 PHE HB2 H 10.346 4.431 2.247 1.00 . A A . 20 PHE HB2 1 1
6 1632 1 1 20 PHE HB3 H 10.287 2.714 2.621 1.00 . A A . 20 PHE HB3 1 1
6 1633 1 1 20 PHE HD1 H 10.495 5.090 0.049 1.00 . A A . 20 PHE HD1 1 1
6 1634 1 1 20 PHE HD2 H 8.867 1.264 0.954 1.00 . A A . 20 PHE HD2 1 1
6 1635 1 1 20 PHE HE1 H 10.372 4.578 -2.355 1.00 . A A . 20 PHE HE1 1 1
6 1636 1 1 20 PHE HE2 H 8.741 0.745 -1.448 1.00 . A A . 20 PHE HE2 1 1
6 1637 1 1 20 PHE HZ H 9.494 2.403 -3.106 1.00 . A A . 20 PHE HZ 1 1
6 1638 1 1 20 PHE N N 7.341 3.081 2.043 1.00 . A A . 20 PHE N 1 1
6 1639 1 1 20 PHE O O 7.675 5.629 4.070 1.00 . A A . 20 PHE O 1 1
6 1640 1 1 21 DTR C C 6.728 7.769 1.505 1.00 . A A . 21 DTR C 1 1
6 1641 1 1 21 DTR CA C 8.146 7.436 1.954 1.00 . A A . 21 DTR CA 1 1
6 1642 1 1 21 DTR CB C 8.415 8.054 3.334 1.00 . A A . 21 DTR CB 1 1
6 1643 1 1 21 DTR CD1 C 10.729 6.940 3.324 1.00 . A A . 21 DTR CD1 1 1
6 1644 1 1 21 DTR CD2 C 10.344 8.256 5.094 1.00 . A A . 21 DTR CD2 1 1
6 1645 1 1 21 DTR CE2 C 11.638 7.713 5.211 1.00 . A A . 21 DTR CE2 1 1
6 1646 1 1 21 DTR CE3 C 9.882 9.118 6.093 1.00 . A A . 21 DTR CE3 1 1
6 1647 1 1 21 DTR CG C 9.779 7.749 3.880 1.00 . A A . 21 DTR CG 1 1
6 1648 1 1 21 DTR CH2 C 11.994 8.850 7.250 1.00 . A A . 21 DTR CH2 1 1
6 1649 1 1 21 DTR CZ2 C 12.473 8.004 6.288 1.00 . A A . 21 DTR CZ2 1 1
6 1650 1 1 21 DTR CZ3 C 10.712 9.405 7.161 1.00 . A A . 21 DTR CZ3 1 1
6 1651 1 1 21 DTR H H 8.713 5.568 1.135 1.00 . A A . 21 DTR H 1 1
6 1652 1 1 21 DTR HA H 8.836 7.868 1.243 1.00 . A A . 21 DTR HA 1 1
6 1653 1 1 21 DTR HB2 H 8.324 9.127 3.259 1.00 . A A . 21 DTR HB2 1 1
6 1654 1 1 21 DTR HB3 H 7.682 7.688 4.036 1.00 . A A . 21 DTR HB3 1 1
6 1655 1 1 21 DTR HD1 H 10.604 6.405 2.394 1.00 . A A . 21 DTR HD1 1 1
6 1656 1 1 21 DTR HE1 H 12.666 6.405 3.934 1.00 . A A . 21 DTR HE1 1 1
6 1657 1 1 21 DTR HE3 H 8.896 9.555 6.041 1.00 . A A . 21 DTR HE3 1 1
6 1658 1 1 21 DTR HH2 H 12.608 9.102 8.103 1.00 . A A . 21 DTR HH2 1 1
6 1659 1 1 21 DTR HZ2 H 13.464 7.585 6.371 1.00 . A A . 21 DTR HZ2 1 1
6 1660 1 1 21 DTR HZ3 H 10.371 10.068 7.942 1.00 . A A . 21 DTR HZ3 1 1
6 1661 1 1 21 DTR N N 8.367 5.985 1.949 1.00 . A A . 21 DTR N 1 1
6 1662 1 1 21 DTR NE1 N 11.849 6.913 4.119 1.00 . A A . 21 DTR NE1 1 1
7 1663 1 1 1 CYS C C -6.312 -0.272 1.160 1.00 . A A . 1 CYS C 1 1
7 1664 1 1 1 CYS CA C -5.682 -1.421 1.949 1.00 . A A . 1 CYS CA 1 1
7 1665 1 1 1 CYS CB C -6.691 -1.994 2.954 1.00 . A A . 1 CYS CB 1 1
7 1666 1 1 1 CYS H1 H -4.380 0.006 2.651 1.00 . A A . 1 CYS H1 1 1
7 1667 1 1 1 CYS HA H -5.391 -2.199 1.259 1.00 . A A . 1 CYS HA 1 1
7 1668 1 1 1 CYS HB2 H -6.394 -2.999 3.213 1.00 . A A . 1 CYS HB2 1 1
7 1669 1 1 1 CYS HB3 H -6.681 -1.383 3.846 1.00 . A A . 1 CYS HB3 1 1
7 1670 1 1 1 CYS N N -4.482 -0.969 2.647 1.00 . A A . 1 CYS N 1 1
7 1671 1 1 1 CYS O O -7.008 0.572 1.723 1.00 . A A . 1 CYS O 1 1
7 1672 1 1 1 CYS SG S -8.414 -2.069 2.352 1.00 . A A . 1 CYS SG 1 1
7 1673 1 1 2 LEU C C -6.823 0.268 -2.424 1.00 . A A . 2 LEU C 1 1
7 1674 1 1 2 LEU CA C -6.600 0.792 -1.010 1.00 . A A . 2 LEU CA 1 1
7 1675 1 1 2 LEU CB C -5.659 1.998 -1.036 1.00 . A A . 2 LEU CB 1 1
7 1676 1 1 2 LEU CD1 C -4.430 3.783 0.225 1.00 . A A . 2 LEU CD1 1 1
7 1677 1 1 2 LEU CD2 C -6.863 3.401 0.659 1.00 . A A . 2 LEU CD2 1 1
7 1678 1 1 2 LEU CG C -5.539 2.745 0.294 1.00 . A A . 2 LEU CG 1 1
7 1679 1 1 2 LEU H H -5.497 -0.949 -0.534 1.00 . A A . 2 LEU H 1 1
7 1680 1 1 2 LEU HA H -7.549 1.099 -0.605 1.00 . A A . 2 LEU HA 1 1
7 1681 1 1 2 LEU HB2 H -4.676 1.655 -1.324 1.00 . A A . 2 LEU HB2 1 1
7 1682 1 1 2 LEU HB3 H -6.015 2.691 -1.782 1.00 . A A . 2 LEU HB3 1 1
7 1683 1 1 2 LEU HD11 H -4.590 4.425 -0.628 1.00 . A A . 2 LEU HD11 1 1
7 1684 1 1 2 LEU HD12 H -3.477 3.285 0.128 1.00 . A A . 2 LEU HD12 1 1
7 1685 1 1 2 LEU HD13 H -4.436 4.376 1.128 1.00 . A A . 2 LEU HD13 1 1
7 1686 1 1 2 LEU HD21 H -7.663 2.931 0.106 1.00 . A A . 2 LEU HD21 1 1
7 1687 1 1 2 LEU HD22 H -6.824 4.452 0.414 1.00 . A A . 2 LEU HD22 1 1
7 1688 1 1 2 LEU HD23 H -7.041 3.285 1.718 1.00 . A A . 2 LEU HD23 1 1
7 1689 1 1 2 LEU HG H -5.287 2.041 1.073 1.00 . A A . 2 LEU HG 1 1
7 1690 1 1 2 LEU N N -6.060 -0.250 -0.145 1.00 . A A . 2 LEU N 1 1
7 1691 1 1 2 LEU O O -6.444 -0.857 -2.748 1.00 . A A . 2 LEU O 1 1
7 1692 1 1 3 GLY C C -6.482 0.795 -5.524 1.00 . A A . 3 GLY C 1 1
7 1693 1 1 3 GLY CA C -7.707 0.697 -4.634 1.00 . A A . 3 GLY CA 1 1
7 1694 1 1 3 GLY H H -7.722 1.978 -2.948 1.00 . A A . 3 GLY H 1 1
7 1695 1 1 3 GLY HA2 H -8.059 -0.324 -4.639 1.00 . A A . 3 GLY HA2 1 1
7 1696 1 1 3 GLY HA3 H -8.481 1.334 -5.036 1.00 . A A . 3 GLY HA3 1 1
7 1697 1 1 3 GLY N N -7.442 1.093 -3.263 1.00 . A A . 3 GLY N 1 1
7 1698 1 1 3 GLY O O -6.559 0.527 -6.723 1.00 . A A . 3 GLY O 1 1
7 1699 1 1 4 VAL C C -3.333 -0.006 -5.705 1.00 . A A . 4 VAL C 1 1
7 1700 1 1 4 VAL CA C -4.109 1.307 -5.702 1.00 . A A . 4 VAL CA 1 1
7 1701 1 1 4 VAL CB C -3.213 2.423 -5.133 1.00 . A A . 4 VAL CB 1 1
7 1702 1 1 4 VAL CG1 C -2.069 2.731 -6.087 1.00 . A A . 4 VAL CG1 1 1
7 1703 1 1 4 VAL CG2 C -4.032 3.674 -4.854 1.00 . A A . 4 VAL CG2 1 1
7 1704 1 1 4 VAL H H -5.343 1.380 -3.983 1.00 . A A . 4 VAL H 1 1
7 1705 1 1 4 VAL HA H -4.367 1.563 -6.719 1.00 . A A . 4 VAL HA 1 1
7 1706 1 1 4 VAL HB H -2.791 2.079 -4.200 1.00 . A A . 4 VAL HB 1 1
7 1707 1 1 4 VAL HG11 H -1.724 3.741 -5.922 1.00 . A A . 4 VAL HG11 1 1
7 1708 1 1 4 VAL HG12 H -2.413 2.630 -7.106 1.00 . A A . 4 VAL HG12 1 1
7 1709 1 1 4 VAL HG13 H -1.257 2.041 -5.911 1.00 . A A . 4 VAL HG13 1 1
7 1710 1 1 4 VAL HG21 H -4.390 3.650 -3.836 1.00 . A A . 4 VAL HG21 1 1
7 1711 1 1 4 VAL HG22 H -4.873 3.712 -5.530 1.00 . A A . 4 VAL HG22 1 1
7 1712 1 1 4 VAL HG23 H -3.415 4.549 -4.998 1.00 . A A . 4 VAL HG23 1 1
7 1713 1 1 4 VAL N N -5.348 1.179 -4.943 1.00 . A A . 4 VAL N 1 1
7 1714 1 1 4 VAL O O -3.575 -0.881 -4.876 1.00 . A A . 4 VAL O 1 1
7 1715 1 1 5 GLY C C -0.126 -1.089 -6.839 1.00 . A A . 5 GLY C 1 1
7 1716 1 1 5 GLY CA C -1.617 -1.357 -6.739 1.00 . A A . 5 GLY CA 1 1
7 1717 1 1 5 GLY H H -2.260 0.584 -7.283 1.00 . A A . 5 GLY H 1 1
7 1718 1 1 5 GLY HA2 H -1.803 -1.960 -5.863 1.00 . A A . 5 GLY HA2 1 1
7 1719 1 1 5 GLY HA3 H -1.931 -1.908 -7.613 1.00 . A A . 5 GLY HA3 1 1
7 1720 1 1 5 GLY N N -2.406 -0.142 -6.645 1.00 . A A . 5 GLY N 1 1
7 1721 1 1 5 GLY O O 0.579 -1.757 -7.595 1.00 . A A . 5 GLY O 1 1
7 1722 1 1 6 SER C C 2.500 -0.486 -4.940 1.00 . A A . 6 SER C 1 1
7 1723 1 1 6 SER CA C 1.777 0.225 -6.079 1.00 . A A . 6 SER CA 1 1
7 1724 1 1 6 SER CB C 1.961 1.738 -5.953 1.00 . A A . 6 SER CB 1 1
7 1725 1 1 6 SER H H -0.251 0.379 -5.484 1.00 . A A . 6 SER H 1 1
7 1726 1 1 6 SER HA H 2.194 -0.106 -7.019 1.00 . A A . 6 SER HA 1 1
7 1727 1 1 6 SER HB2 H 1.379 2.101 -5.119 1.00 . A A . 6 SER HB2 1 1
7 1728 1 1 6 SER HB3 H 3.005 1.958 -5.785 1.00 . A A . 6 SER HB3 1 1
7 1729 1 1 6 SER HG H 1.315 3.314 -6.920 1.00 . A A . 6 SER HG 1 1
7 1730 1 1 6 SER N N 0.358 -0.116 -6.073 1.00 . A A . 6 SER N 1 1
7 1731 1 1 6 SER O O 3.656 -0.888 -5.074 1.00 . A A . 6 SER O 1 1
7 1732 1 1 6 SER OG O 1.537 2.404 -7.129 1.00 . A A . 6 SER OG 1 1
7 1733 1 1 7 CYS C C 1.234 -1.977 -1.862 1.00 . A A . 7 CYS C 1 1
7 1734 1 1 7 CYS CA C 2.352 -1.302 -2.647 1.00 . A A . 7 CYS CA 1 1
7 1735 1 1 7 CYS CB C 3.086 -0.290 -1.764 1.00 . A A . 7 CYS CB 1 1
7 1736 1 1 7 CYS H H 0.884 -0.296 -3.787 1.00 . A A . 7 CYS H 1 1
7 1737 1 1 7 CYS HA H 3.050 -2.055 -2.982 1.00 . A A . 7 CYS HA 1 1
7 1738 1 1 7 CYS HB2 H 2.630 0.681 -1.888 1.00 . A A . 7 CYS HB2 1 1
7 1739 1 1 7 CYS HB3 H 3.000 -0.592 -0.731 1.00 . A A . 7 CYS HB3 1 1
7 1740 1 1 7 CYS N N 1.802 -0.638 -3.822 1.00 . A A . 7 CYS N 1 1
7 1741 1 1 7 CYS O O 0.111 -2.090 -2.352 1.00 . A A . 7 CYS O 1 1
7 1742 1 1 7 CYS SG S 4.859 -0.120 -2.146 1.00 . A A . 7 CYS SG 1 1
7 1743 1 1 8 VAL C C 0.454 -2.469 1.567 1.00 . A A . 8 VAL C 1 1
7 1744 1 1 8 VAL CA C 0.526 -3.081 0.177 1.00 . A A . 8 VAL CA 1 1
7 1745 1 1 8 VAL CB C 0.802 -4.584 0.334 1.00 . A A . 8 VAL CB 1 1
7 1746 1 1 8 VAL CG1 C -0.411 -5.300 0.910 1.00 . A A . 8 VAL CG1 1 1
7 1747 1 1 8 VAL CG2 C 1.219 -5.200 -0.992 1.00 . A A . 8 VAL CG2 1 1
7 1748 1 1 8 VAL H H 2.441 -2.311 -0.300 1.00 . A A . 8 VAL H 1 1
7 1749 1 1 8 VAL HA H -0.433 -2.960 -0.307 1.00 . A A . 8 VAL HA 1 1
7 1750 1 1 8 VAL HB H 1.611 -4.697 1.032 1.00 . A A . 8 VAL HB 1 1
7 1751 1 1 8 VAL HG11 H -0.701 -6.107 0.253 1.00 . A A . 8 VAL HG11 1 1
7 1752 1 1 8 VAL HG12 H -1.229 -4.605 1.006 1.00 . A A . 8 VAL HG12 1 1
7 1753 1 1 8 VAL HG13 H -0.163 -5.701 1.882 1.00 . A A . 8 VAL HG13 1 1
7 1754 1 1 8 VAL HG21 H 2.296 -5.204 -1.063 1.00 . A A . 8 VAL HG21 1 1
7 1755 1 1 8 VAL HG22 H 0.805 -4.621 -1.804 1.00 . A A . 8 VAL HG22 1 1
7 1756 1 1 8 VAL HG23 H 0.851 -6.214 -1.048 1.00 . A A . 8 VAL HG23 1 1
7 1757 1 1 8 VAL N N 1.532 -2.424 -0.648 1.00 . A A . 8 VAL N 1 1
7 1758 1 1 8 VAL O O 1.451 -1.990 2.106 1.00 . A A . 8 VAL O 1 1
7 1759 1 1 9 ASP C C -1.076 -3.113 4.497 1.00 . A A . 9 ASP C 1 1
7 1760 1 1 9 ASP CA C -0.968 -1.980 3.481 1.00 . A A . 9 ASP CA 1 1
7 1761 1 1 9 ASP CB C -2.237 -1.120 3.524 1.00 . A A . 9 ASP CB 1 1
7 1762 1 1 9 ASP CG C -3.400 -1.735 2.766 1.00 . A A . 9 ASP CG 1 1
7 1763 1 1 9 ASP H H -1.478 -2.918 1.651 1.00 . A A . 9 ASP H 1 1
7 1764 1 1 9 ASP HA H -0.119 -1.364 3.741 1.00 . A A . 9 ASP HA 1 1
7 1765 1 1 9 ASP HB2 H -2.537 -0.990 4.552 1.00 . A A . 9 ASP HB2 1 1
7 1766 1 1 9 ASP HB3 H -2.023 -0.153 3.095 1.00 . A A . 9 ASP HB3 1 1
7 1767 1 1 9 ASP N N -0.737 -2.510 2.141 1.00 . A A . 9 ASP N 1 1
7 1768 1 1 9 ASP O O -0.894 -2.903 5.697 1.00 . A A . 9 ASP O 1 1
7 1769 1 1 9 ASP OD1 O -3.326 -2.873 2.302 1.00 . A A . 9 ASP OD1 1 1
7 1770 1 1 10 PHE C C -2.650 -5.292 5.861 1.00 . A A . 10 PHE C 1 1
7 1771 1 1 10 PHE CA C -1.505 -5.479 4.875 1.00 . A A . 10 PHE CA 1 1
7 1772 1 1 10 PHE CB C -0.201 -5.736 5.636 1.00 . A A . 10 PHE CB 1 1
7 1773 1 1 10 PHE CD1 C 1.737 -4.239 5.088 1.00 . A A . 10 PHE CD1 1 1
7 1774 1 1 10 PHE CD2 C 1.496 -6.272 3.865 1.00 . A A . 10 PHE CD2 1 1
7 1775 1 1 10 PHE CE1 C 2.875 -3.935 4.364 1.00 . A A . 10 PHE CE1 1 1
7 1776 1 1 10 PHE CE2 C 2.633 -5.974 3.139 1.00 . A A . 10 PHE CE2 1 1
7 1777 1 1 10 PHE CG C 1.036 -5.409 4.847 1.00 . A A . 10 PHE CG 1 1
7 1778 1 1 10 PHE CZ C 3.324 -4.803 3.389 1.00 . A A . 10 PHE CZ 1 1
7 1779 1 1 10 PHE H H -1.508 -4.421 3.045 1.00 . A A . 10 PHE H 1 1
7 1780 1 1 10 PHE HA H -1.721 -6.333 4.250 1.00 . A A . 10 PHE HA 1 1
7 1781 1 1 10 PHE HB2 H -0.191 -5.132 6.530 1.00 . A A . 10 PHE HB2 1 1
7 1782 1 1 10 PHE HB3 H -0.154 -6.779 5.911 1.00 . A A . 10 PHE HB3 1 1
7 1783 1 1 10 PHE HD1 H 1.388 -3.559 5.851 1.00 . A A . 10 PHE HD1 1 1
7 1784 1 1 10 PHE HD2 H 0.957 -7.187 3.669 1.00 . A A . 10 PHE HD2 1 1
7 1785 1 1 10 PHE HE1 H 3.413 -3.019 4.562 1.00 . A A . 10 PHE HE1 1 1
7 1786 1 1 10 PHE HE2 H 2.982 -6.654 2.376 1.00 . A A . 10 PHE HE2 1 1
7 1787 1 1 10 PHE HZ H 4.213 -4.568 2.822 1.00 . A A . 10 PHE HZ 1 1
7 1788 1 1 10 PHE N N -1.373 -4.314 4.010 1.00 . A A . 10 PHE N 1 1
7 1789 1 1 10 PHE O O -2.615 -5.813 6.976 1.00 . A A . 10 PHE O 1 1
7 1790 1 1 11 ALA C C -5.970 -5.234 5.944 1.00 . A A . 11 ALA C 1 1
7 1791 1 1 11 ALA CA C -4.824 -4.294 6.290 1.00 . A A . 11 ALA CA 1 1
7 1792 1 1 11 ALA CB C -5.267 -2.844 6.165 1.00 . A A . 11 ALA CB 1 1
7 1793 1 1 11 ALA H H -3.639 -4.161 4.542 1.00 . A A . 11 ALA H 1 1
7 1794 1 1 11 ALA HA H -4.529 -4.472 7.312 1.00 . A A . 11 ALA HA 1 1
7 1795 1 1 11 ALA HB1 H -5.136 -2.514 5.146 1.00 . A A . 11 ALA HB1 1 1
7 1796 1 1 11 ALA HB2 H -4.670 -2.228 6.822 1.00 . A A . 11 ALA HB2 1 1
7 1797 1 1 11 ALA HB3 H -6.308 -2.760 6.440 1.00 . A A . 11 ALA HB3 1 1
7 1798 1 1 11 ALA N N -3.667 -4.547 5.442 1.00 . A A . 11 ALA N 1 1
7 1799 1 1 11 ALA O O -7.140 -4.909 6.149 1.00 . A A . 11 ALA O 1 1
7 1800 1 1 12 GLY C C -6.896 -7.398 3.560 1.00 . A A . 12 GLY C 1 1
7 1801 1 1 12 GLY CA C -6.632 -7.378 5.051 1.00 . A A . 12 GLY CA 1 1
7 1802 1 1 12 GLY H H -4.674 -6.603 5.278 1.00 . A A . 12 GLY H 1 1
7 1803 1 1 12 GLY HA2 H -6.300 -8.359 5.360 1.00 . A A . 12 GLY HA2 1 1
7 1804 1 1 12 GLY HA3 H -7.552 -7.142 5.565 1.00 . A A . 12 GLY HA3 1 1
7 1805 1 1 12 GLY N N -5.624 -6.403 5.419 1.00 . A A . 12 GLY N 1 1
7 1806 1 1 12 GLY O O -7.160 -8.452 2.982 1.00 . A A . 12 GLY O 1 1
7 1807 1 1 13 CYS C C -5.767 -6.451 0.739 1.00 . A A . 13 CYS C 1 1
7 1808 1 1 13 CYS CA C -7.041 -6.113 1.500 1.00 . A A . 13 CYS CA 1 1
7 1809 1 1 13 CYS CB C -7.508 -4.701 1.145 1.00 . A A . 13 CYS CB 1 1
7 1810 1 1 13 CYS H H -6.596 -5.424 3.451 1.00 . A A . 13 CYS H 1 1
7 1811 1 1 13 CYS HA H -7.810 -6.819 1.225 1.00 . A A . 13 CYS HA 1 1
7 1812 1 1 13 CYS HB2 H -6.668 -4.026 1.201 1.00 . A A . 13 CYS HB2 1 1
7 1813 1 1 13 CYS HB3 H -7.898 -4.701 0.138 1.00 . A A . 13 CYS HB3 1 1
7 1814 1 1 13 CYS N N -6.817 -6.228 2.935 1.00 . A A . 13 CYS N 1 1
7 1815 1 1 13 CYS O O -5.775 -7.278 -0.173 1.00 . A A . 13 CYS O 1 1
7 1816 1 1 13 CYS SG S -8.810 -4.056 2.245 1.00 . A A . 13 CYS SG 1 1
7 1817 1 1 14 GLY C C -3.043 -5.044 -0.571 1.00 . A A . 14 GLY C 1 1
7 1818 1 1 14 GLY CA C -3.396 -6.072 0.488 1.00 . A A . 14 GLY CA 1 1
7 1819 1 1 14 GLY H H -4.721 -5.174 1.871 1.00 . A A . 14 GLY H 1 1
7 1820 1 1 14 GLY HA2 H -2.625 -6.074 1.241 1.00 . A A . 14 GLY HA2 1 1
7 1821 1 1 14 GLY HA3 H -3.432 -7.048 0.027 1.00 . A A . 14 GLY HA3 1 1
7 1822 1 1 14 GLY N N -4.668 -5.815 1.131 1.00 . A A . 14 GLY N 1 1
7 1823 1 1 14 GLY O O -2.494 -5.393 -1.616 1.00 . A A . 14 GLY O 1 1
7 1824 1 1 15 TYR C C -2.786 -1.378 -0.580 1.00 . A A . 15 TYR C 1 1
7 1825 1 1 15 TYR CA C -3.047 -2.718 -1.268 1.00 . A A . 15 TYR CA 1 1
7 1826 1 1 15 TYR CB C -4.182 -2.573 -2.283 1.00 . A A . 15 TYR CB 1 1
7 1827 1 1 15 TYR CD1 C -5.313 -4.782 -2.748 1.00 . A A . 15 TYR CD1 1 1
7 1828 1 1 15 TYR CD2 C -3.694 -3.996 -4.310 1.00 . A A . 15 TYR CD2 1 1
7 1829 1 1 15 TYR CE1 C -5.516 -5.911 -3.518 1.00 . A A . 15 TYR CE1 1 1
7 1830 1 1 15 TYR CE2 C -3.891 -5.122 -5.087 1.00 . A A . 15 TYR CE2 1 1
7 1831 1 1 15 TYR CG C -4.401 -3.807 -3.130 1.00 . A A . 15 TYR CG 1 1
7 1832 1 1 15 TYR CZ C -4.803 -6.076 -4.687 1.00 . A A . 15 TYR CZ 1 1
7 1833 1 1 15 TYR H H -3.786 -3.549 0.538 1.00 . A A . 15 TYR H 1 1
7 1834 1 1 15 TYR HA H -2.151 -3.009 -1.795 1.00 . A A . 15 TYR HA 1 1
7 1835 1 1 15 TYR HB2 H -5.102 -2.365 -1.759 1.00 . A A . 15 TYR HB2 1 1
7 1836 1 1 15 TYR HB3 H -3.958 -1.750 -2.946 1.00 . A A . 15 TYR HB3 1 1
7 1837 1 1 15 TYR HD1 H -5.871 -4.649 -1.832 1.00 . A A . 15 TYR HD1 1 1
7 1838 1 1 15 TYR HD2 H -2.980 -3.247 -4.621 1.00 . A A . 15 TYR HD2 1 1
7 1839 1 1 15 TYR HE1 H -6.230 -6.657 -3.205 1.00 . A A . 15 TYR HE1 1 1
7 1840 1 1 15 TYR HE2 H -3.332 -5.251 -6.002 1.00 . A A . 15 TYR HE2 1 1
7 1841 1 1 15 TYR HH H -4.989 -7.978 -4.897 1.00 . A A . 15 TYR HH 1 1
7 1842 1 1 15 TYR N N -3.351 -3.776 -0.310 1.00 . A A . 15 TYR N 1 1
7 1843 1 1 15 TYR O O -3.621 -0.875 0.170 1.00 . A A . 15 TYR O 1 1
7 1844 1 1 15 TYR OH O -5.002 -7.199 -5.457 1.00 . A A . 15 TYR OH 1 1
7 1845 1 1 16 ALA C C -0.483 1.318 -1.332 1.00 . A A . 16 ALA C 1 1
7 1846 1 1 16 ALA CA C -1.222 0.482 -0.300 1.00 . A A . 16 ALA CA 1 1
7 1847 1 1 16 ALA CB C -0.349 0.288 0.927 1.00 . A A . 16 ALA CB 1 1
7 1848 1 1 16 ALA H H -1.010 -1.265 -1.470 1.00 . A A . 16 ALA H 1 1
7 1849 1 1 16 ALA HA H -2.110 1.013 0.001 1.00 . A A . 16 ALA HA 1 1
7 1850 1 1 16 ALA HB1 H 0.583 -0.175 0.636 1.00 . A A . 16 ALA HB1 1 1
7 1851 1 1 16 ALA HB2 H -0.859 -0.343 1.633 1.00 . A A . 16 ALA HB2 1 1
7 1852 1 1 16 ALA HB3 H -0.147 1.247 1.380 1.00 . A A . 16 ALA HB3 1 1
7 1853 1 1 16 ALA N N -1.620 -0.807 -0.861 1.00 . A A . 16 ALA N 1 1
7 1854 1 1 16 ALA O O 0.325 0.801 -2.104 1.00 . A A . 16 ALA O 1 1
7 1855 1 1 17 VAL C C 1.196 4.065 -1.641 1.00 . A A . 17 VAL C 1 1
7 1856 1 1 17 VAL CA C -0.094 3.529 -2.252 1.00 . A A . 17 VAL CA 1 1
7 1857 1 1 17 VAL CB C -0.997 4.724 -2.632 1.00 . A A . 17 VAL CB 1 1
7 1858 1 1 17 VAL CG1 C -0.741 5.147 -4.069 1.00 . A A . 17 VAL CG1 1 1
7 1859 1 1 17 VAL CG2 C -2.467 4.388 -2.424 1.00 . A A . 17 VAL CG2 1 1
7 1860 1 1 17 VAL H H -1.393 2.969 -0.678 1.00 . A A . 17 VAL H 1 1
7 1861 1 1 17 VAL HA H 0.143 2.980 -3.153 1.00 . A A . 17 VAL HA 1 1
7 1862 1 1 17 VAL HB H -0.747 5.555 -1.988 1.00 . A A . 17 VAL HB 1 1
7 1863 1 1 17 VAL HG11 H -0.327 4.317 -4.621 1.00 . A A . 17 VAL HG11 1 1
7 1864 1 1 17 VAL HG12 H -0.044 5.972 -4.083 1.00 . A A . 17 VAL HG12 1 1
7 1865 1 1 17 VAL HG13 H -1.671 5.455 -4.526 1.00 . A A . 17 VAL HG13 1 1
7 1866 1 1 17 VAL HG21 H -2.721 4.518 -1.383 1.00 . A A . 17 VAL HG21 1 1
7 1867 1 1 17 VAL HG22 H -2.647 3.364 -2.713 1.00 . A A . 17 VAL HG22 1 1
7 1868 1 1 17 VAL HG23 H -3.075 5.045 -3.027 1.00 . A A . 17 VAL HG23 1 1
7 1869 1 1 17 VAL N N -0.750 2.616 -1.327 1.00 . A A . 17 VAL N 1 1
7 1870 1 1 17 VAL O O 1.858 4.928 -2.219 1.00 . A A . 17 VAL O 1 1
7 1871 1 1 18 VAL C C 3.892 2.964 0.006 1.00 . A A . 18 VAL C 1 1
7 1872 1 1 18 VAL CA C 2.766 3.970 0.222 1.00 . A A . 18 VAL CA 1 1
7 1873 1 1 18 VAL CB C 2.532 4.189 1.744 1.00 . A A . 18 VAL CB 1 1
7 1874 1 1 18 VAL CG1 C 1.295 3.445 2.227 1.00 . A A . 18 VAL CG1 1 1
7 1875 1 1 18 VAL CG2 C 3.751 3.780 2.565 1.00 . A A . 18 VAL CG2 1 1
7 1876 1 1 18 VAL H H 0.979 2.854 -0.057 1.00 . A A . 18 VAL H 1 1
7 1877 1 1 18 VAL HA H 3.067 4.915 -0.208 1.00 . A A . 18 VAL HA 1 1
7 1878 1 1 18 VAL HB H 2.367 5.244 1.901 1.00 . A A . 18 VAL HB 1 1
7 1879 1 1 18 VAL HG11 H 0.430 3.791 1.681 1.00 . A A . 18 VAL HG11 1 1
7 1880 1 1 18 VAL HG12 H 1.153 3.631 3.282 1.00 . A A . 18 VAL HG12 1 1
7 1881 1 1 18 VAL HG13 H 1.425 2.385 2.063 1.00 . A A . 18 VAL HG13 1 1
7 1882 1 1 18 VAL HG21 H 3.685 4.220 3.549 1.00 . A A . 18 VAL HG21 1 1
7 1883 1 1 18 VAL HG22 H 4.648 4.127 2.076 1.00 . A A . 18 VAL HG22 1 1
7 1884 1 1 18 VAL HG23 H 3.782 2.704 2.652 1.00 . A A . 18 VAL HG23 1 1
7 1885 1 1 18 VAL N N 1.550 3.544 -0.467 1.00 . A A . 18 VAL N 1 1
7 1886 1 1 18 VAL O O 3.660 1.758 -0.066 1.00 . A A . 18 VAL O 1 1
7 1887 1 1 19 CYS C C 7.529 3.253 0.321 1.00 . A A . 19 CYS C 1 1
7 1888 1 1 19 CYS CA C 6.285 2.630 -0.302 1.00 . A A . 19 CYS CA 1 1
7 1889 1 1 19 CYS CB C 6.518 2.397 -1.797 1.00 . A A . 19 CYS CB 1 1
7 1890 1 1 19 CYS H H 5.229 4.446 -0.025 1.00 . A A . 19 CYS H 1 1
7 1891 1 1 19 CYS HA H 6.096 1.683 0.175 1.00 . A A . 19 CYS HA 1 1
7 1892 1 1 19 CYS HB2 H 6.841 3.322 -2.251 1.00 . A A . 19 CYS HB2 1 1
7 1893 1 1 19 CYS HB3 H 7.292 1.653 -1.921 1.00 . A A . 19 CYS HB3 1 1
7 1894 1 1 19 CYS N N 5.114 3.475 -0.095 1.00 . A A . 19 CYS N 1 1
7 1895 1 1 19 CYS O O 8.302 2.576 1.000 1.00 . A A . 19 CYS O 1 1
7 1896 1 1 19 CYS SG S 5.047 1.822 -2.705 1.00 . A A . 19 CYS SG 1 1
7 1897 1 1 20 PHE C C 8.467 6.171 1.773 1.00 . A A . 20 PHE C 1 1
7 1898 1 1 20 PHE CA C 8.870 5.263 0.614 1.00 . A A . 20 PHE CA 1 1
7 1899 1 1 20 PHE CB C 9.546 6.087 -0.488 1.00 . A A . 20 PHE CB 1 1
7 1900 1 1 20 PHE CD1 C 8.768 6.477 -2.842 1.00 . A A . 20 PHE CD1 1 1
7 1901 1 1 20 PHE CD2 C 7.506 7.436 -1.060 1.00 . A A . 20 PHE CD2 1 1
7 1902 1 1 20 PHE CE1 C 7.889 7.019 -3.760 1.00 . A A . 20 PHE CE1 1 1
7 1903 1 1 20 PHE CE2 C 6.624 7.981 -1.974 1.00 . A A . 20 PHE CE2 1 1
7 1904 1 1 20 PHE CG C 8.587 6.678 -1.483 1.00 . A A . 20 PHE CG 1 1
7 1905 1 1 20 PHE CZ C 6.816 7.772 -3.325 1.00 . A A . 20 PHE CZ 1 1
7 1906 1 1 20 PHE H H 7.065 5.024 -0.469 1.00 . A A . 20 PHE H 1 1
7 1907 1 1 20 PHE HA H 9.572 4.529 0.980 1.00 . A A . 20 PHE HA 1 1
7 1908 1 1 20 PHE HB2 H 10.093 6.899 -0.034 1.00 . A A . 20 PHE HB2 1 1
7 1909 1 1 20 PHE HB3 H 10.236 5.453 -1.027 1.00 . A A . 20 PHE HB3 1 1
7 1910 1 1 20 PHE HD1 H 9.606 5.887 -3.183 1.00 . A A . 20 PHE HD1 1 1
7 1911 1 1 20 PHE HD2 H 7.355 7.600 -0.003 1.00 . A A . 20 PHE HD2 1 1
7 1912 1 1 20 PHE HE1 H 8.041 6.855 -4.817 1.00 . A A . 20 PHE HE1 1 1
7 1913 1 1 20 PHE HE2 H 5.786 8.569 -1.631 1.00 . A A . 20 PHE HE2 1 1
7 1914 1 1 20 PHE HZ H 6.128 8.197 -4.041 1.00 . A A . 20 PHE HZ 1 1
7 1915 1 1 20 PHE N N 7.716 4.544 0.082 1.00 . A A . 20 PHE N 1 1
7 1916 1 1 20 PHE O O 8.715 7.376 1.744 1.00 . A A . 20 PHE O 1 1
7 1917 1 1 21 DTR C C 8.504 6.337 5.042 1.00 . A A . 21 DTR C 1 1
7 1918 1 1 21 DTR CA C 7.403 6.299 3.988 1.00 . A A . 21 DTR CA 1 1
7 1919 1 1 21 DTR CB C 6.953 7.729 3.652 1.00 . A A . 21 DTR CB 1 1
7 1920 1 1 21 DTR CD1 C 5.528 6.781 1.738 1.00 . A A . 21 DTR CD1 1 1
7 1921 1 1 21 DTR CD2 C 5.566 9.017 1.840 1.00 . A A . 21 DTR CD2 1 1
7 1922 1 1 21 DTR CE2 C 4.755 8.631 0.756 1.00 . A A . 21 DTR CE2 1 1
7 1923 1 1 21 DTR CE3 C 5.738 10.379 2.102 1.00 . A A . 21 DTR CE3 1 1
7 1924 1 1 21 DTR CG C 6.051 7.818 2.456 1.00 . A A . 21 DTR CG 1 1
7 1925 1 1 21 DTR CH2 C 4.304 10.885 0.214 1.00 . A A . 21 DTR CH2 1 1
7 1926 1 1 21 DTR CZ2 C 4.119 9.559 -0.065 1.00 . A A . 21 DTR CZ2 1 1
7 1927 1 1 21 DTR CZ3 C 5.105 11.299 1.286 1.00 . A A . 21 DTR CZ3 1 1
7 1928 1 1 21 DTR H H 7.694 4.607 2.748 1.00 . A A . 21 DTR H 1 1
7 1929 1 1 21 DTR HA H 6.561 5.759 4.397 1.00 . A A . 21 DTR HA 1 1
7 1930 1 1 21 DTR HB2 H 6.419 8.135 4.498 1.00 . A A . 21 DTR HB2 1 1
7 1931 1 1 21 DTR HB3 H 7.824 8.337 3.462 1.00 . A A . 21 DTR HB3 1 1
7 1932 1 1 21 DTR HD1 H 5.710 5.739 1.954 1.00 . A A . 21 DTR HD1 1 1
7 1933 1 1 21 DTR HE1 H 4.265 6.713 0.061 1.00 . A A . 21 DTR HE1 1 1
7 1934 1 1 21 DTR HE3 H 6.351 10.717 2.923 1.00 . A A . 21 DTR HE3 1 1
7 1935 1 1 21 DTR HH2 H 3.830 11.639 -0.398 1.00 . A A . 21 DTR HH2 1 1
7 1936 1 1 21 DTR HZ2 H 3.497 9.256 -0.895 1.00 . A A . 21 DTR HZ2 1 1
7 1937 1 1 21 DTR HZ3 H 5.227 12.355 1.472 1.00 . A A . 21 DTR HZ3 1 1
7 1938 1 1 21 DTR N N 7.851 5.573 2.795 1.00 . A A . 21 DTR N 1 1
7 1939 1 1 21 DTR NE1 N 4.748 7.262 0.714 1.00 . A A . 21 DTR NE1 1 1
8 1940 1 1 1 CYS C C -5.870 0.102 1.396 1.00 . A A . 1 CYS C 1 1
8 1941 1 1 1 CYS CA C -5.248 -1.049 2.188 1.00 . A A . 1 CYS CA 1 1
8 1942 1 1 1 CYS CB C -6.167 -1.456 3.348 1.00 . A A . 1 CYS CB 1 1
8 1943 1 1 1 CYS H1 H -3.762 0.289 2.627 1.00 . A A . 1 CYS H1 1 1
8 1944 1 1 1 CYS HA H -5.118 -1.894 1.529 1.00 . A A . 1 CYS HA 1 1
8 1945 1 1 1 CYS HB2 H -5.912 -2.457 3.662 1.00 . A A . 1 CYS HB2 1 1
8 1946 1 1 1 CYS HB3 H -6.011 -0.777 4.173 1.00 . A A . 1 CYS HB3 1 1
8 1947 1 1 1 CYS N N -3.931 -0.674 2.698 1.00 . A A . 1 CYS N 1 1
8 1948 1 1 1 CYS O O -6.410 1.046 1.973 1.00 . A A . 1 CYS O 1 1
8 1949 1 1 1 CYS SG S -7.949 -1.445 2.950 1.00 . A A . 1 CYS SG 1 1
8 1950 1 1 2 LEU C C -6.795 0.444 -2.131 1.00 . A A . 2 LEU C 1 1
8 1951 1 1 2 LEU CA C -6.345 1.040 -0.802 1.00 . A A . 2 LEU CA 1 1
8 1952 1 1 2 LEU CB C -5.312 2.142 -1.047 1.00 . A A . 2 LEU CB 1 1
8 1953 1 1 2 LEU CD1 C -3.740 3.860 -0.117 1.00 . A A . 2 LEU CD1 1 1
8 1954 1 1 2 LEU CD2 C -6.091 3.737 0.726 1.00 . A A . 2 LEU CD2 1 1
8 1955 1 1 2 LEU CG C -4.909 2.939 0.196 1.00 . A A . 2 LEU CG 1 1
8 1956 1 1 2 LEU H H -5.348 -0.765 -0.324 1.00 . A A . 2 LEU H 1 1
8 1957 1 1 2 LEU HA H -7.202 1.468 -0.311 1.00 . A A . 2 LEU HA 1 1
8 1958 1 1 2 LEU HB2 H -4.424 1.688 -1.462 1.00 . A A . 2 LEU HB2 1 1
8 1959 1 1 2 LEU HB3 H -5.717 2.831 -1.773 1.00 . A A . 2 LEU HB3 1 1
8 1960 1 1 2 LEU HD11 H -2.854 3.269 -0.295 1.00 . A A . 2 LEU HD11 1 1
8 1961 1 1 2 LEU HD12 H -3.570 4.522 0.719 1.00 . A A . 2 LEU HD12 1 1
8 1962 1 1 2 LEU HD13 H -3.967 4.443 -0.997 1.00 . A A . 2 LEU HD13 1 1
8 1963 1 1 2 LEU HD21 H -6.112 3.677 1.804 1.00 . A A . 2 LEU HD21 1 1
8 1964 1 1 2 LEU HD22 H -7.009 3.332 0.326 1.00 . A A . 2 LEU HD22 1 1
8 1965 1 1 2 LEU HD23 H -5.992 4.770 0.426 1.00 . A A . 2 LEU HD23 1 1
8 1966 1 1 2 LEU HG H -4.594 2.252 0.969 1.00 . A A . 2 LEU HG 1 1
8 1967 1 1 2 LEU N N -5.791 0.012 0.073 1.00 . A A . 2 LEU N 1 1
8 1968 1 1 2 LEU O O -6.564 -0.733 -2.406 1.00 . A A . 2 LEU O 1 1
8 1969 1 1 3 GLY C C -6.840 0.939 -5.326 1.00 . A A . 3 GLY C 1 1
8 1970 1 1 3 GLY CA C -7.901 0.806 -4.249 1.00 . A A . 3 GLY CA 1 1
8 1971 1 1 3 GLY H H -7.587 2.197 -2.684 1.00 . A A . 3 GLY H 1 1
8 1972 1 1 3 GLY HA2 H -8.188 -0.232 -4.168 1.00 . A A . 3 GLY HA2 1 1
8 1973 1 1 3 GLY HA3 H -8.765 1.387 -4.537 1.00 . A A . 3 GLY HA3 1 1
8 1974 1 1 3 GLY N N -7.435 1.268 -2.955 1.00 . A A . 3 GLY N 1 1
8 1975 1 1 3 GLY O O -7.146 0.902 -6.517 1.00 . A A . 3 GLY O 1 1
8 1976 1 1 4 VAL C C -3.880 -0.124 -6.188 1.00 . A A . 4 VAL C 1 1
8 1977 1 1 4 VAL CA C -4.477 1.242 -5.834 1.00 . A A . 4 VAL CA 1 1
8 1978 1 1 4 VAL CB C -3.392 2.175 -5.246 1.00 . A A . 4 VAL CB 1 1
8 1979 1 1 4 VAL CG1 C -2.444 1.420 -4.322 1.00 . A A . 4 VAL CG1 1 1
8 1980 1 1 4 VAL CG2 C -2.628 2.888 -6.355 1.00 . A A . 4 VAL CG2 1 1
8 1981 1 1 4 VAL H H -5.409 1.124 -3.939 1.00 . A A . 4 VAL H 1 1
8 1982 1 1 4 VAL HA H -4.859 1.696 -6.737 1.00 . A A . 4 VAL HA 1 1
8 1983 1 1 4 VAL HB H -3.893 2.926 -4.657 1.00 . A A . 4 VAL HB 1 1
8 1984 1 1 4 VAL HG11 H -2.882 0.472 -4.049 1.00 . A A . 4 VAL HG11 1 1
8 1985 1 1 4 VAL HG12 H -2.269 2.003 -3.431 1.00 . A A . 4 VAL HG12 1 1
8 1986 1 1 4 VAL HG13 H -1.507 1.251 -4.828 1.00 . A A . 4 VAL HG13 1 1
8 1987 1 1 4 VAL HG21 H -1.575 2.660 -6.272 1.00 . A A . 4 VAL HG21 1 1
8 1988 1 1 4 VAL HG22 H -2.773 3.954 -6.264 1.00 . A A . 4 VAL HG22 1 1
8 1989 1 1 4 VAL HG23 H -2.993 2.555 -7.316 1.00 . A A . 4 VAL HG23 1 1
8 1990 1 1 4 VAL N N -5.589 1.098 -4.903 1.00 . A A . 4 VAL N 1 1
8 1991 1 1 4 VAL O O -4.529 -1.155 -6.008 1.00 . A A . 4 VAL O 1 1
8 1992 1 1 5 GLY C C -0.514 -1.236 -7.290 1.00 . A A . 5 GLY C 1 1
8 1993 1 1 5 GLY CA C -2.006 -1.381 -7.054 1.00 . A A . 5 GLY CA 1 1
8 1994 1 1 5 GLY H H -2.172 0.714 -6.815 1.00 . A A . 5 GLY H 1 1
8 1995 1 1 5 GLY HA2 H -2.164 -2.096 -6.261 1.00 . A A . 5 GLY HA2 1 1
8 1996 1 1 5 GLY HA3 H -2.466 -1.757 -7.957 1.00 . A A . 5 GLY HA3 1 1
8 1997 1 1 5 GLY N N -2.647 -0.131 -6.690 1.00 . A A . 5 GLY N 1 1
8 1998 1 1 5 GLY O O 0.072 -1.990 -8.068 1.00 . A A . 5 GLY O 1 1
8 1999 1 1 6 SER C C 2.310 -0.766 -5.657 1.00 . A A . 6 SER C 1 1
8 2000 1 1 6 SER CA C 1.541 -0.045 -6.760 1.00 . A A . 6 SER CA 1 1
8 2001 1 1 6 SER CB C 1.849 1.453 -6.721 1.00 . A A . 6 SER CB 1 1
8 2002 1 1 6 SER H H -0.408 0.296 -6.007 1.00 . A A . 6 SER H 1 1
8 2003 1 1 6 SER HA H 1.846 -0.443 -7.716 1.00 . A A . 6 SER HA 1 1
8 2004 1 1 6 SER HB2 H 2.090 1.743 -5.709 1.00 . A A . 6 SER HB2 1 1
8 2005 1 1 6 SER HB3 H 2.691 1.662 -7.364 1.00 . A A . 6 SER HB3 1 1
8 2006 1 1 6 SER HG H 0.756 3.078 -6.743 1.00 . A A . 6 SER HG 1 1
8 2007 1 1 6 SER N N 0.107 -0.272 -6.617 1.00 . A A . 6 SER N 1 1
8 2008 1 1 6 SER O O 3.437 -1.215 -5.861 1.00 . A A . 6 SER O 1 1
8 2009 1 1 6 SER OG O 0.738 2.214 -7.161 1.00 . A A . 6 SER OG 1 1
8 2010 1 1 7 CYS C C 1.218 -2.170 -2.468 1.00 . A A . 7 CYS C 1 1
8 2011 1 1 7 CYS CA C 2.294 -1.542 -3.347 1.00 . A A . 7 CYS CA 1 1
8 2012 1 1 7 CYS CB C 3.126 -0.548 -2.534 1.00 . A A . 7 CYS CB 1 1
8 2013 1 1 7 CYS H H 0.785 -0.497 -4.396 1.00 . A A . 7 CYS H 1 1
8 2014 1 1 7 CYS HA H 2.939 -2.323 -3.721 1.00 . A A . 7 CYS HA 1 1
8 2015 1 1 7 CYS HB2 H 3.358 0.306 -3.153 1.00 . A A . 7 CYS HB2 1 1
8 2016 1 1 7 CYS HB3 H 2.551 -0.221 -1.680 1.00 . A A . 7 CYS HB3 1 1
8 2017 1 1 7 CYS N N 1.684 -0.874 -4.491 1.00 . A A . 7 CYS N 1 1
8 2018 1 1 7 CYS O O 0.067 -2.302 -2.883 1.00 . A A . 7 CYS O 1 1
8 2019 1 1 7 CYS SG S 4.701 -1.224 -1.915 1.00 . A A . 7 CYS SG 1 1
8 2020 1 1 8 VAL C C 0.752 -2.538 1.059 1.00 . A A . 8 VAL C 1 1
8 2021 1 1 8 VAL CA C 0.643 -3.157 -0.325 1.00 . A A . 8 VAL CA 1 1
8 2022 1 1 8 VAL CB C 0.860 -4.672 -0.184 1.00 . A A . 8 VAL CB 1 1
8 2023 1 1 8 VAL CG1 C -0.332 -5.330 0.495 1.00 . A A . 8 VAL CG1 1 1
8 2024 1 1 8 VAL CG2 C 1.135 -5.313 -1.535 1.00 . A A . 8 VAL CG2 1 1
8 2025 1 1 8 VAL H H 2.520 -2.419 -0.970 1.00 . A A . 8 VAL H 1 1
8 2026 1 1 8 VAL HA H -0.353 -2.990 -0.708 1.00 . A A . 8 VAL HA 1 1
8 2027 1 1 8 VAL HB H 1.718 -4.822 0.445 1.00 . A A . 8 VAL HB 1 1
8 2028 1 1 8 VAL HG11 H -1.068 -4.580 0.739 1.00 . A A . 8 VAL HG11 1 1
8 2029 1 1 8 VAL HG12 H -0.005 -5.818 1.401 1.00 . A A . 8 VAL HG12 1 1
8 2030 1 1 8 VAL HG13 H -0.770 -6.061 -0.169 1.00 . A A . 8 VAL HG13 1 1
8 2031 1 1 8 VAL HG21 H 0.431 -4.935 -2.262 1.00 . A A . 8 VAL HG21 1 1
8 2032 1 1 8 VAL HG22 H 1.027 -6.385 -1.453 1.00 . A A . 8 VAL HG22 1 1
8 2033 1 1 8 VAL HG23 H 2.140 -5.075 -1.848 1.00 . A A . 8 VAL HG23 1 1
8 2034 1 1 8 VAL N N 1.591 -2.551 -1.252 1.00 . A A . 8 VAL N 1 1
8 2035 1 1 8 VAL O O 1.828 -2.122 1.488 1.00 . A A . 8 VAL O 1 1
8 2036 1 1 9 ASP C C -0.527 -3.066 4.138 1.00 . A A . 9 ASP C 1 1
8 2037 1 1 9 ASP CA C -0.423 -1.948 3.103 1.00 . A A . 9 ASP CA 1 1
8 2038 1 1 9 ASP CB C -1.600 -0.977 3.258 1.00 . A A . 9 ASP CB 1 1
8 2039 1 1 9 ASP CG C -2.900 -1.517 2.689 1.00 . A A . 9 ASP CG 1 1
8 2040 1 1 9 ASP H H -1.185 -2.859 1.349 1.00 . A A . 9 ASP H 1 1
8 2041 1 1 9 ASP HA H 0.498 -1.409 3.271 1.00 . A A . 9 ASP HA 1 1
8 2042 1 1 9 ASP HB2 H -1.750 -0.774 4.307 1.00 . A A . 9 ASP HB2 1 1
8 2043 1 1 9 ASP HB3 H -1.364 -0.053 2.751 1.00 . A A . 9 ASP HB3 1 1
8 2044 1 1 9 ASP N N -0.373 -2.498 1.753 1.00 . A A . 9 ASP N 1 1
8 2045 1 1 9 ASP O O -0.314 -2.843 5.330 1.00 . A A . 9 ASP O 1 1
8 2046 1 1 9 ASP OD1 O -2.974 -2.666 2.254 1.00 . A A . 9 ASP OD1 1 1
8 2047 1 1 10 PHE C C -1.959 -5.148 5.687 1.00 . A A . 10 PHE C 1 1
8 2048 1 1 10 PHE CA C -0.978 -5.426 4.556 1.00 . A A . 10 PHE CA 1 1
8 2049 1 1 10 PHE CB C 0.388 -5.810 5.129 1.00 . A A . 10 PHE CB 1 1
8 2050 1 1 10 PHE CD1 C 1.331 -8.018 5.863 1.00 . A A . 10 PHE CD1 1 1
8 2051 1 1 10 PHE CD2 C 0.569 -7.803 3.613 1.00 . A A . 10 PHE CD2 1 1
8 2052 1 1 10 PHE CE1 C 1.683 -9.332 5.621 1.00 . A A . 10 PHE CE1 1 1
8 2053 1 1 10 PHE CE2 C 0.920 -9.117 3.366 1.00 . A A . 10 PHE CE2 1 1
8 2054 1 1 10 PHE CG C 0.771 -7.239 4.863 1.00 . A A . 10 PHE CG 1 1
8 2055 1 1 10 PHE CZ C 1.477 -9.882 4.371 1.00 . A A . 10 PHE CZ 1 1
8 2056 1 1 10 PHE H H -1.006 -4.390 2.715 1.00 . A A . 10 PHE H 1 1
8 2057 1 1 10 PHE HA H -1.354 -6.249 3.968 1.00 . A A . 10 PHE HA 1 1
8 2058 1 1 10 PHE HB2 H 1.144 -5.177 4.690 1.00 . A A . 10 PHE HB2 1 1
8 2059 1 1 10 PHE HB3 H 0.378 -5.661 6.199 1.00 . A A . 10 PHE HB3 1 1
8 2060 1 1 10 PHE HD1 H 1.492 -7.589 6.841 1.00 . A A . 10 PHE HD1 1 1
8 2061 1 1 10 PHE HD2 H 0.134 -7.205 2.826 1.00 . A A . 10 PHE HD2 1 1
8 2062 1 1 10 PHE HE1 H 2.119 -9.928 6.409 1.00 . A A . 10 PHE HE1 1 1
8 2063 1 1 10 PHE HE2 H 0.758 -9.544 2.387 1.00 . A A . 10 PHE HE2 1 1
8 2064 1 1 10 PHE HZ H 1.752 -10.909 4.180 1.00 . A A . 10 PHE HZ 1 1
8 2065 1 1 10 PHE N N -0.851 -4.272 3.674 1.00 . A A . 10 PHE N 1 1
8 2066 1 1 10 PHE O O -1.822 -5.682 6.788 1.00 . A A . 10 PHE O 1 1
8 2067 1 1 11 ALA C C -5.214 -4.811 6.219 1.00 . A A . 11 ALA C 1 1
8 2068 1 1 11 ALA CA C -3.958 -3.972 6.404 1.00 . A A . 11 ALA CA 1 1
8 2069 1 1 11 ALA CB C -4.291 -2.489 6.339 1.00 . A A . 11 ALA CB 1 1
8 2070 1 1 11 ALA H H -3.012 -3.921 4.512 1.00 . A A . 11 ALA H 1 1
8 2071 1 1 11 ALA HA H -3.543 -4.184 7.375 1.00 . A A . 11 ALA HA 1 1
8 2072 1 1 11 ALA HB1 H -5.326 -2.340 6.609 1.00 . A A . 11 ALA HB1 1 1
8 2073 1 1 11 ALA HB2 H -4.124 -2.126 5.335 1.00 . A A . 11 ALA HB2 1 1
8 2074 1 1 11 ALA HB3 H -3.657 -1.948 7.026 1.00 . A A . 11 ALA HB3 1 1
8 2075 1 1 11 ALA N N -2.953 -4.313 5.408 1.00 . A A . 11 ALA N 1 1
8 2076 1 1 11 ALA O O -6.311 -4.401 6.599 1.00 . A A . 11 ALA O 1 1
8 2077 1 1 12 GLY C C -6.642 -6.847 3.969 1.00 . A A . 12 GLY C 1 1
8 2078 1 1 12 GLY CA C -6.170 -6.875 5.407 1.00 . A A . 12 GLY CA 1 1
8 2079 1 1 12 GLY H H -4.142 -6.259 5.352 1.00 . A A . 12 GLY H 1 1
8 2080 1 1 12 GLY HA2 H -5.879 -7.884 5.661 1.00 . A A . 12 GLY HA2 1 1
8 2081 1 1 12 GLY HA3 H -6.986 -6.574 6.048 1.00 . A A . 12 GLY HA3 1 1
8 2082 1 1 12 GLY N N -5.043 -5.990 5.634 1.00 . A A . 12 GLY N 1 1
8 2083 1 1 12 GLY O O -7.153 -7.842 3.455 1.00 . A A . 12 GLY O 1 1
8 2084 1 1 13 CYS C C -5.733 -5.978 1.001 1.00 . A A . 13 CYS C 1 1
8 2085 1 1 13 CYS CA C -6.863 -5.548 1.925 1.00 . A A . 13 CYS CA 1 1
8 2086 1 1 13 CYS CB C -7.254 -4.097 1.646 1.00 . A A . 13 CYS CB 1 1
8 2087 1 1 13 CYS H H -6.041 -4.950 3.781 1.00 . A A . 13 CYS H 1 1
8 2088 1 1 13 CYS HA H -7.718 -6.185 1.752 1.00 . A A . 13 CYS HA 1 1
8 2089 1 1 13 CYS HB2 H -6.367 -3.481 1.673 1.00 . A A . 13 CYS HB2 1 1
8 2090 1 1 13 CYS HB3 H -7.701 -4.034 0.665 1.00 . A A . 13 CYS HB3 1 1
8 2091 1 1 13 CYS N N -6.461 -5.705 3.317 1.00 . A A . 13 CYS N 1 1
8 2092 1 1 13 CYS O O -5.954 -6.678 0.012 1.00 . A A . 13 CYS O 1 1
8 2093 1 1 13 CYS SG S -8.443 -3.410 2.844 1.00 . A A . 13 CYS SG 1 1
8 2094 1 1 14 GLY C C -3.092 -4.951 -0.585 1.00 . A A . 14 GLY C 1 1
8 2095 1 1 14 GLY CA C -3.362 -5.925 0.547 1.00 . A A . 14 GLY CA 1 1
8 2096 1 1 14 GLY H H -4.404 -5.018 2.146 1.00 . A A . 14 GLY H 1 1
8 2097 1 1 14 GLY HA2 H -2.498 -5.959 1.192 1.00 . A A . 14 GLY HA2 1 1
8 2098 1 1 14 GLY HA3 H -3.521 -6.908 0.128 1.00 . A A . 14 GLY HA3 1 1
8 2099 1 1 14 GLY N N -4.518 -5.565 1.341 1.00 . A A . 14 GLY N 1 1
8 2100 1 1 14 GLY O O -2.707 -5.361 -1.680 1.00 . A A . 14 GLY O 1 1
8 2101 1 1 15 TYR C C -2.641 -1.308 -0.743 1.00 . A A . 15 TYR C 1 1
8 2102 1 1 15 TYR CA C -3.061 -2.647 -1.351 1.00 . A A . 15 TYR CA 1 1
8 2103 1 1 15 TYR CB C -4.318 -2.466 -2.204 1.00 . A A . 15 TYR CB 1 1
8 2104 1 1 15 TYR CD1 C -5.730 -4.547 -2.430 1.00 . A A . 15 TYR CD1 1 1
8 2105 1 1 15 TYR CD2 C -4.138 -4.077 -4.141 1.00 . A A . 15 TYR CD2 1 1
8 2106 1 1 15 TYR CE1 C -6.115 -5.694 -3.097 1.00 . A A . 15 TYR CE1 1 1
8 2107 1 1 15 TYR CE2 C -4.518 -5.222 -4.815 1.00 . A A . 15 TYR CE2 1 1
8 2108 1 1 15 TYR CG C -4.736 -3.720 -2.939 1.00 . A A . 15 TYR CG 1 1
8 2109 1 1 15 TYR CZ C -5.507 -6.027 -4.289 1.00 . A A . 15 TYR CZ 1 1
8 2110 1 1 15 TYR H H -3.600 -3.388 0.561 1.00 . A A . 15 TYR H 1 1
8 2111 1 1 15 TYR HA H -2.262 -3.001 -1.985 1.00 . A A . 15 TYR HA 1 1
8 2112 1 1 15 TYR HB2 H -5.136 -2.171 -1.567 1.00 . A A . 15 TYR HB2 1 1
8 2113 1 1 15 TYR HB3 H -4.140 -1.693 -2.937 1.00 . A A . 15 TYR HB3 1 1
8 2114 1 1 15 TYR HD1 H -6.204 -4.284 -1.496 1.00 . A A . 15 TYR HD1 1 1
8 2115 1 1 15 TYR HD2 H -3.364 -3.445 -4.550 1.00 . A A . 15 TYR HD2 1 1
8 2116 1 1 15 TYR HE1 H -6.889 -6.324 -2.685 1.00 . A A . 15 TYR HE1 1 1
8 2117 1 1 15 TYR HE2 H -4.042 -5.483 -5.748 1.00 . A A . 15 TYR HE2 1 1
8 2118 1 1 15 TYR HH H -6.051 -7.871 -4.323 1.00 . A A . 15 TYR HH 1 1
8 2119 1 1 15 TYR N N -3.292 -3.661 -0.328 1.00 . A A . 15 TYR N 1 1
8 2120 1 1 15 TYR O O -3.346 -0.740 0.090 1.00 . A A . 15 TYR O 1 1
8 2121 1 1 15 TYR OH O -5.888 -7.169 -4.956 1.00 . A A . 15 TYR OH 1 1
8 2122 1 1 16 ALA C C -0.393 1.285 -1.855 1.00 . A A . 16 ALA C 1 1
8 2123 1 1 16 ALA CA C -0.955 0.465 -0.705 1.00 . A A . 16 ALA CA 1 1
8 2124 1 1 16 ALA CB C 0.124 0.238 0.341 1.00 . A A . 16 ALA CB 1 1
8 2125 1 1 16 ALA H H -0.980 -1.316 -1.846 1.00 . A A . 16 ALA H 1 1
8 2126 1 1 16 ALA HA H -1.754 1.022 -0.245 1.00 . A A . 16 ALA HA 1 1
8 2127 1 1 16 ALA HB1 H 0.922 -0.350 -0.087 1.00 . A A . 16 ALA HB1 1 1
8 2128 1 1 16 ALA HB2 H -0.298 -0.286 1.184 1.00 . A A . 16 ALA HB2 1 1
8 2129 1 1 16 ALA HB3 H 0.513 1.190 0.668 1.00 . A A . 16 ALA HB3 1 1
8 2130 1 1 16 ALA N N -1.487 -0.811 -1.180 1.00 . A A . 16 ALA N 1 1
8 2131 1 1 16 ALA O O 0.197 0.744 -2.790 1.00 . A A . 16 ALA O 1 1
8 2132 1 1 17 VAL C C 1.374 3.922 -2.446 1.00 . A A . 17 VAL C 1 1
8 2133 1 1 17 VAL CA C -0.050 3.499 -2.788 1.00 . A A . 17 VAL CA 1 1
8 2134 1 1 17 VAL CB C -0.917 4.768 -2.923 1.00 . A A . 17 VAL CB 1 1
8 2135 1 1 17 VAL CG1 C -0.534 5.543 -4.174 1.00 . A A . 17 VAL CG1 1 1
8 2136 1 1 17 VAL CG2 C -2.397 4.420 -2.939 1.00 . A A . 17 VAL CG2 1 1
8 2137 1 1 17 VAL H H -1.025 2.970 -0.989 1.00 . A A . 17 VAL H 1 1
8 2138 1 1 17 VAL HA H -0.051 2.976 -3.735 1.00 . A A . 17 VAL HA 1 1
8 2139 1 1 17 VAL HB H -0.728 5.399 -2.066 1.00 . A A . 17 VAL HB 1 1
8 2140 1 1 17 VAL HG11 H -0.442 4.861 -5.006 1.00 . A A . 17 VAL HG11 1 1
8 2141 1 1 17 VAL HG12 H 0.408 6.045 -4.012 1.00 . A A . 17 VAL HG12 1 1
8 2142 1 1 17 VAL HG13 H -1.298 6.275 -4.392 1.00 . A A . 17 VAL HG13 1 1
8 2143 1 1 17 VAL HG21 H -2.576 3.567 -2.303 1.00 . A A . 17 VAL HG21 1 1
8 2144 1 1 17 VAL HG22 H -2.699 4.187 -3.948 1.00 . A A . 17 VAL HG22 1 1
8 2145 1 1 17 VAL HG23 H -2.968 5.263 -2.579 1.00 . A A . 17 VAL HG23 1 1
8 2146 1 1 17 VAL N N -0.561 2.598 -1.767 1.00 . A A . 17 VAL N 1 1
8 2147 1 1 17 VAL O O 2.036 4.606 -3.227 1.00 . A A . 17 VAL O 1 1
8 2148 1 1 18 VAL C C 3.747 2.763 0.096 1.00 . A A . 18 VAL C 1 1
8 2149 1 1 18 VAL CA C 3.184 3.848 -0.815 1.00 . A A . 18 VAL CA 1 1
8 2150 1 1 18 VAL CB C 3.207 5.196 -0.064 1.00 . A A . 18 VAL CB 1 1
8 2151 1 1 18 VAL CG1 C 4.627 5.735 0.026 1.00 . A A . 18 VAL CG1 1 1
8 2152 1 1 18 VAL CG2 C 2.289 6.205 -0.740 1.00 . A A . 18 VAL CG2 1 1
8 2153 1 1 18 VAL H H 1.257 2.965 -0.685 1.00 . A A . 18 VAL H 1 1
8 2154 1 1 18 VAL HA H 3.816 3.935 -1.687 1.00 . A A . 18 VAL HA 1 1
8 2155 1 1 18 VAL HB H 2.846 5.030 0.940 1.00 . A A . 18 VAL HB 1 1
8 2156 1 1 18 VAL HG11 H 5.248 5.240 -0.706 1.00 . A A . 18 VAL HG11 1 1
8 2157 1 1 18 VAL HG12 H 5.019 5.552 1.015 1.00 . A A . 18 VAL HG12 1 1
8 2158 1 1 18 VAL HG13 H 4.621 6.798 -0.167 1.00 . A A . 18 VAL HG13 1 1
8 2159 1 1 18 VAL HG21 H 2.424 7.175 -0.285 1.00 . A A . 18 VAL HG21 1 1
8 2160 1 1 18 VAL HG22 H 1.262 5.893 -0.623 1.00 . A A . 18 VAL HG22 1 1
8 2161 1 1 18 VAL HG23 H 2.530 6.263 -1.791 1.00 . A A . 18 VAL HG23 1 1
8 2162 1 1 18 VAL N N 1.838 3.510 -1.266 1.00 . A A . 18 VAL N 1 1
8 2163 1 1 18 VAL O O 2.998 2.000 0.706 1.00 . A A . 18 VAL O 1 1
8 2164 1 1 19 CYS C C 7.010 2.276 1.645 1.00 . A A . 19 CYS C 1 1
8 2165 1 1 19 CYS CA C 5.736 1.707 1.023 1.00 . A A . 19 CYS CA 1 1
8 2166 1 1 19 CYS CB C 6.073 0.461 0.201 1.00 . A A . 19 CYS CB 1 1
8 2167 1 1 19 CYS H H 5.616 3.335 -0.325 1.00 . A A . 19 CYS H 1 1
8 2168 1 1 19 CYS HA H 5.055 1.432 1.814 1.00 . A A . 19 CYS HA 1 1
8 2169 1 1 19 CYS HB2 H 6.354 0.763 -0.797 1.00 . A A . 19 CYS HB2 1 1
8 2170 1 1 19 CYS HB3 H 6.904 -0.051 0.664 1.00 . A A . 19 CYS HB3 1 1
8 2171 1 1 19 CYS N N 5.072 2.699 0.184 1.00 . A A . 19 CYS N 1 1
8 2172 1 1 19 CYS O O 7.892 1.528 2.065 1.00 . A A . 19 CYS O 1 1
8 2173 1 1 19 CYS SG S 4.700 -0.727 0.053 1.00 . A A . 19 CYS SG 1 1
8 2174 1 1 20 PHE C C 7.884 5.607 2.889 1.00 . A A . 20 PHE C 1 1
8 2175 1 1 20 PHE CA C 8.268 4.265 2.273 1.00 . A A . 20 PHE CA 1 1
8 2176 1 1 20 PHE CB C 9.344 4.468 1.202 1.00 . A A . 20 PHE CB 1 1
8 2177 1 1 20 PHE CD1 C 8.523 6.186 -0.434 1.00 . A A . 20 PHE CD1 1 1
8 2178 1 1 20 PHE CD2 C 8.547 3.898 -1.109 1.00 . A A . 20 PHE CD2 1 1
8 2179 1 1 20 PHE CE1 C 8.017 6.548 -1.668 1.00 . A A . 20 PHE CE1 1 1
8 2180 1 1 20 PHE CE2 C 8.041 4.254 -2.345 1.00 . A A . 20 PHE CE2 1 1
8 2181 1 1 20 PHE CG C 8.794 4.859 -0.141 1.00 . A A . 20 PHE CG 1 1
8 2182 1 1 20 PHE CZ C 7.776 5.581 -2.624 1.00 . A A . 20 PHE CZ 1 1
8 2183 1 1 20 PHE H H 6.367 4.148 1.352 1.00 . A A . 20 PHE H 1 1
8 2184 1 1 20 PHE HA H 8.663 3.627 3.050 1.00 . A A . 20 PHE HA 1 1
8 2185 1 1 20 PHE HB2 H 10.018 5.247 1.523 1.00 . A A . 20 PHE HB2 1 1
8 2186 1 1 20 PHE HB3 H 9.898 3.548 1.081 1.00 . A A . 20 PHE HB3 1 1
8 2187 1 1 20 PHE HD1 H 8.713 6.943 0.313 1.00 . A A . 20 PHE HD1 1 1
8 2188 1 1 20 PHE HD2 H 8.754 2.861 -0.891 1.00 . A A . 20 PHE HD2 1 1
8 2189 1 1 20 PHE HE1 H 7.810 7.585 -1.884 1.00 . A A . 20 PHE HE1 1 1
8 2190 1 1 20 PHE HE2 H 7.853 3.496 -3.090 1.00 . A A . 20 PHE HE2 1 1
8 2191 1 1 20 PHE HZ H 7.380 5.861 -3.589 1.00 . A A . 20 PHE HZ 1 1
8 2192 1 1 20 PHE N N 7.101 3.602 1.702 1.00 . A A . 20 PHE N 1 1
8 2193 1 1 20 PHE O O 8.554 6.613 2.662 1.00 . A A . 20 PHE O 1 1
8 2194 1 1 21 DTR C C 5.545 6.416 5.619 1.00 . A A . 21 DTR C 1 1
8 2195 1 1 21 DTR CA C 6.275 6.802 4.336 1.00 . A A . 21 DTR CA 1 1
8 2196 1 1 21 DTR CB C 7.393 7.797 4.682 1.00 . A A . 21 DTR CB 1 1
8 2197 1 1 21 DTR CD1 C 9.503 6.509 5.377 1.00 . A A . 21 DTR CD1 1 1
8 2198 1 1 21 DTR CD2 C 8.377 7.424 7.082 1.00 . A A . 21 DTR CD2 1 1
8 2199 1 1 21 DTR CE2 C 9.502 6.753 7.596 1.00 . A A . 21 DTR CE2 1 1
8 2200 1 1 21 DTR CE3 C 7.519 8.078 7.971 1.00 . A A . 21 DTR CE3 1 1
8 2201 1 1 21 DTR CG C 8.395 7.256 5.660 1.00 . A A . 21 DTR CG 1 1
8 2202 1 1 21 DTR CH2 C 8.933 7.366 9.805 1.00 . A A . 21 DTR CH2 1 1
8 2203 1 1 21 DTR CZ2 C 9.790 6.717 8.958 1.00 . A A . 21 DTR CZ2 1 1
8 2204 1 1 21 DTR CZ3 C 7.806 8.042 9.323 1.00 . A A . 21 DTR CZ3 1 1
8 2205 1 1 21 DTR H H 6.314 4.756 3.786 1.00 . A A . 21 DTR H 1 1
8 2206 1 1 21 DTR HA H 5.573 7.279 3.668 1.00 . A A . 21 DTR HA 1 1
8 2207 1 1 21 DTR HB2 H 7.917 8.075 3.783 1.00 . A A . 21 DTR HB2 1 1
8 2208 1 1 21 DTR HB3 H 6.950 8.681 5.118 1.00 . A A . 21 DTR HB3 1 1
8 2209 1 1 21 DTR HD1 H 9.797 6.209 4.383 1.00 . A A . 21 DTR HD1 1 1
8 2210 1 1 21 DTR HE1 H 10.998 5.676 6.594 1.00 . A A . 21 DTR HE1 1 1
8 2211 1 1 21 DTR HE3 H 6.645 8.605 7.618 1.00 . A A . 21 DTR HE3 1 1
8 2212 1 1 21 DTR HH2 H 9.118 7.363 10.869 1.00 . A A . 21 DTR HH2 1 1
8 2213 1 1 21 DTR HZ2 H 10.656 6.200 9.346 1.00 . A A . 21 DTR HZ2 1 1
8 2214 1 1 21 DTR HZ3 H 7.154 8.541 10.024 1.00 . A A . 21 DTR HZ3 1 1
8 2215 1 1 21 DTR N N 6.793 5.602 3.662 1.00 . A A . 21 DTR N 1 1
8 2216 1 1 21 DTR NE1 N 10.173 6.202 6.536 1.00 . A A . 21 DTR NE1 1 1
9 2217 1 1 1 CYS C C -6.232 -0.229 1.106 1.00 . A A . 1 CYS C 1 1
9 2218 1 1 1 CYS CA C -5.462 -1.318 1.853 1.00 . A A . 1 CYS CA 1 1
9 2219 1 1 1 CYS CB C -6.338 -1.937 2.954 1.00 . A A . 1 CYS CB 1 1
9 2220 1 1 1 CYS H1 H -4.141 0.193 2.402 1.00 . A A . 1 CYS H1 1 1
9 2221 1 1 1 CYS HA H -5.184 -2.090 1.152 1.00 . A A . 1 CYS HA 1 1
9 2222 1 1 1 CYS HB2 H -6.008 -2.948 3.135 1.00 . A A . 1 CYS HB2 1 1
9 2223 1 1 1 CYS HB3 H -6.219 -1.361 3.860 1.00 . A A . 1 CYS HB3 1 1
9 2224 1 1 1 CYS N N -4.237 -0.782 2.438 1.00 . A A . 1 CYS N 1 1
9 2225 1 1 1 CYS O O -6.954 0.562 1.713 1.00 . A A . 1 CYS O 1 1
9 2226 1 1 1 CYS SG S -8.124 -2.005 2.572 1.00 . A A . 1 CYS SG 1 1
9 2227 1 1 2 LEU C C -7.050 0.223 -2.436 1.00 . A A . 2 LEU C 1 1
9 2228 1 1 2 LEU CA C -6.770 0.784 -1.045 1.00 . A A . 2 LEU CA 1 1
9 2229 1 1 2 LEU CB C -5.962 2.084 -1.148 1.00 . A A . 2 LEU CB 1 1
9 2230 1 1 2 LEU CD1 C -3.740 1.591 -2.180 1.00 . A A . 2 LEU CD1 1 1
9 2231 1 1 2 LEU CD2 C -3.910 3.251 -0.318 1.00 . A A . 2 LEU CD2 1 1
9 2232 1 1 2 LEU CG C -4.461 1.956 -0.894 1.00 . A A . 2 LEU CG 1 1
9 2233 1 1 2 LEU H H -5.494 -0.862 -0.642 1.00 . A A . 2 LEU H 1 1
9 2234 1 1 2 LEU HA H -7.714 1.001 -0.575 1.00 . A A . 2 LEU HA 1 1
9 2235 1 1 2 LEU HB2 H -6.100 2.490 -2.139 1.00 . A A . 2 LEU HB2 1 1
9 2236 1 1 2 LEU HB3 H -6.363 2.787 -0.433 1.00 . A A . 2 LEU HB3 1 1
9 2237 1 1 2 LEU HD11 H -2.761 2.041 -2.183 1.00 . A A . 2 LEU HD11 1 1
9 2238 1 1 2 LEU HD12 H -4.306 1.956 -3.023 1.00 . A A . 2 LEU HD12 1 1
9 2239 1 1 2 LEU HD13 H -3.645 0.517 -2.249 1.00 . A A . 2 LEU HD13 1 1
9 2240 1 1 2 LEU HD21 H -4.066 4.054 -1.023 1.00 . A A . 2 LEU HD21 1 1
9 2241 1 1 2 LEU HD22 H -2.853 3.139 -0.128 1.00 . A A . 2 LEU HD22 1 1
9 2242 1 1 2 LEU HD23 H -4.419 3.479 0.607 1.00 . A A . 2 LEU HD23 1 1
9 2243 1 1 2 LEU HG H -4.288 1.170 -0.176 1.00 . A A . 2 LEU HG 1 1
9 2244 1 1 2 LEU N N -6.079 -0.201 -0.215 1.00 . A A . 2 LEU N 1 1
9 2245 1 1 2 LEU O O -6.621 -0.881 -2.770 1.00 . A A . 2 LEU O 1 1
9 2246 1 1 3 GLY C C -6.937 0.615 -5.540 1.00 . A A . 3 GLY C 1 1
9 2247 1 1 3 GLY CA C -8.115 0.558 -4.584 1.00 . A A . 3 GLY CA 1 1
9 2248 1 1 3 GLY H H -8.096 1.860 -2.915 1.00 . A A . 3 GLY H 1 1
9 2249 1 1 3 GLY HA2 H -8.476 -0.459 -4.539 1.00 . A A . 3 GLY HA2 1 1
9 2250 1 1 3 GLY HA3 H -8.903 1.189 -4.966 1.00 . A A . 3 GLY HA3 1 1
9 2251 1 1 3 GLY N N -7.779 0.992 -3.239 1.00 . A A . 3 GLY N 1 1
9 2252 1 1 3 GLY O O -7.068 0.263 -6.712 1.00 . A A . 3 GLY O 1 1
9 2253 1 1 4 VAL C C -3.786 -0.147 -5.827 1.00 . A A . 4 VAL C 1 1
9 2254 1 1 4 VAL CA C -4.587 1.151 -5.875 1.00 . A A . 4 VAL CA 1 1
9 2255 1 1 4 VAL CB C -3.679 2.317 -5.436 1.00 . A A . 4 VAL CB 1 1
9 2256 1 1 4 VAL CG1 C -2.678 2.656 -6.530 1.00 . A A . 4 VAL CG1 1 1
9 2257 1 1 4 VAL CG2 C -4.511 3.538 -5.066 1.00 . A A . 4 VAL CG2 1 1
9 2258 1 1 4 VAL H H -5.737 1.323 -4.103 1.00 . A A . 4 VAL H 1 1
9 2259 1 1 4 VAL HA H -4.902 1.330 -6.894 1.00 . A A . 4 VAL HA 1 1
9 2260 1 1 4 VAL HB H -3.128 2.004 -4.562 1.00 . A A . 4 VAL HB 1 1
9 2261 1 1 4 VAL HG11 H -1.763 2.108 -6.361 1.00 . A A . 4 VAL HG11 1 1
9 2262 1 1 4 VAL HG12 H -2.472 3.716 -6.514 1.00 . A A . 4 VAL HG12 1 1
9 2263 1 1 4 VAL HG13 H -3.089 2.383 -7.491 1.00 . A A . 4 VAL HG13 1 1
9 2264 1 1 4 VAL HG21 H -4.515 3.659 -3.993 1.00 . A A . 4 VAL HG21 1 1
9 2265 1 1 4 VAL HG22 H -5.523 3.404 -5.417 1.00 . A A . 4 VAL HG22 1 1
9 2266 1 1 4 VAL HG23 H -4.085 4.418 -5.525 1.00 . A A . 4 VAL HG23 1 1
9 2267 1 1 4 VAL N N -5.784 1.056 -5.045 1.00 . A A . 4 VAL N 1 1
9 2268 1 1 4 VAL O O -3.999 -0.984 -4.951 1.00 . A A . 4 VAL O 1 1
9 2269 1 1 5 GLY C C -0.589 -1.231 -7.070 1.00 . A A . 5 GLY C 1 1
9 2270 1 1 5 GLY CA C -2.060 -1.514 -6.822 1.00 . A A . 5 GLY CA 1 1
9 2271 1 1 5 GLY H H -2.748 0.386 -7.453 1.00 . A A . 5 GLY H 1 1
9 2272 1 1 5 GLY HA2 H -2.159 -2.035 -5.882 1.00 . A A . 5 GLY HA2 1 1
9 2273 1 1 5 GLY HA3 H -2.428 -2.151 -7.613 1.00 . A A . 5 GLY HA3 1 1
9 2274 1 1 5 GLY N N -2.870 -0.311 -6.777 1.00 . A A . 5 GLY N 1 1
9 2275 1 1 5 GLY O O 0.078 -1.978 -7.785 1.00 . A A . 5 GLY O 1 1
9 2276 1 1 6 SER C C 2.173 -0.462 -5.550 1.00 . A A . 6 SER C 1 1
9 2277 1 1 6 SER CA C 1.328 0.203 -6.632 1.00 . A A . 6 SER CA 1 1
9 2278 1 1 6 SER CB C 1.498 1.722 -6.571 1.00 . A A . 6 SER CB 1 1
9 2279 1 1 6 SER H H -0.654 0.399 -5.907 1.00 . A A . 6 SER H 1 1
9 2280 1 1 6 SER HA H 1.655 -0.151 -7.599 1.00 . A A . 6 SER HA 1 1
9 2281 1 1 6 SER HB2 H 2.412 2.000 -7.075 1.00 . A A . 6 SER HB2 1 1
9 2282 1 1 6 SER HB3 H 0.660 2.196 -7.060 1.00 . A A . 6 SER HB3 1 1
9 2283 1 1 6 SER HG H 2.403 1.921 -4.844 1.00 . A A . 6 SER HG 1 1
9 2284 1 1 6 SER N N -0.077 -0.158 -6.473 1.00 . A A . 6 SER N 1 1
9 2285 1 1 6 SER O O 3.328 -0.823 -5.777 1.00 . A A . 6 SER O 1 1
9 2286 1 1 6 SER OG O 1.562 2.176 -5.230 1.00 . A A . 6 SER OG 1 1
9 2287 1 1 7 CYS C C 1.220 -1.952 -2.362 1.00 . A A . 7 CYS C 1 1
9 2288 1 1 7 CYS CA C 2.247 -1.246 -3.241 1.00 . A A . 7 CYS CA 1 1
9 2289 1 1 7 CYS CB C 3.010 -0.195 -2.429 1.00 . A A . 7 CYS CB 1 1
9 2290 1 1 7 CYS H H 0.653 -0.314 -4.267 1.00 . A A . 7 CYS H 1 1
9 2291 1 1 7 CYS HA H 2.944 -1.977 -3.623 1.00 . A A . 7 CYS HA 1 1
9 2292 1 1 7 CYS HB2 H 3.180 0.673 -3.048 1.00 . A A . 7 CYS HB2 1 1
9 2293 1 1 7 CYS HB3 H 2.414 0.091 -1.574 1.00 . A A . 7 CYS HB3 1 1
9 2294 1 1 7 CYS N N 1.577 -0.622 -4.375 1.00 . A A . 7 CYS N 1 1
9 2295 1 1 7 CYS O O 0.119 -2.259 -2.816 1.00 . A A . 7 CYS O 1 1
9 2296 1 1 7 CYS SG S 4.629 -0.762 -1.814 1.00 . A A . 7 CYS SG 1 1
9 2297 1 1 8 VAL C C 0.646 -2.205 1.174 1.00 . A A . 8 VAL C 1 1
9 2298 1 1 8 VAL CA C 0.648 -2.864 -0.192 1.00 . A A . 8 VAL CA 1 1
9 2299 1 1 8 VAL CB C 0.988 -4.346 0.007 1.00 . A A . 8 VAL CB 1 1
9 2300 1 1 8 VAL CG1 C -0.140 -5.059 0.736 1.00 . A A . 8 VAL CG1 1 1
9 2301 1 1 8 VAL CG2 C 1.294 -5.019 -1.321 1.00 . A A . 8 VAL CG2 1 1
9 2302 1 1 8 VAL H H 2.456 -1.935 -0.787 1.00 . A A . 8 VAL H 1 1
9 2303 1 1 8 VAL HA H -0.344 -2.799 -0.613 1.00 . A A . 8 VAL HA 1 1
9 2304 1 1 8 VAL HB H 1.861 -4.398 0.627 1.00 . A A . 8 VAL HB 1 1
9 2305 1 1 8 VAL HG11 H -0.339 -6.006 0.257 1.00 . A A . 8 VAL HG11 1 1
9 2306 1 1 8 VAL HG12 H -1.028 -4.449 0.710 1.00 . A A . 8 VAL HG12 1 1
9 2307 1 1 8 VAL HG13 H 0.148 -5.229 1.762 1.00 . A A . 8 VAL HG13 1 1
9 2308 1 1 8 VAL HG21 H 0.379 -5.144 -1.880 1.00 . A A . 8 VAL HG21 1 1
9 2309 1 1 8 VAL HG22 H 1.740 -5.985 -1.139 1.00 . A A . 8 VAL HG22 1 1
9 2310 1 1 8 VAL HG23 H 1.980 -4.405 -1.885 1.00 . A A . 8 VAL HG23 1 1
9 2311 1 1 8 VAL N N 1.569 -2.203 -1.106 1.00 . A A . 8 VAL N 1 1
9 2312 1 1 8 VAL O O 1.664 -1.692 1.640 1.00 . A A . 8 VAL O 1 1
9 2313 1 1 9 ASP C C -0.681 -2.770 4.205 1.00 . A A . 9 ASP C 1 1
9 2314 1 1 9 ASP CA C -0.671 -1.671 3.145 1.00 . A A . 9 ASP CA 1 1
9 2315 1 1 9 ASP CB C -1.958 -0.843 3.237 1.00 . A A . 9 ASP CB 1 1
9 2316 1 1 9 ASP CG C -3.154 -1.535 2.612 1.00 . A A . 9 ASP CG 1 1
9 2317 1 1 9 ASP H H -1.267 -2.680 1.376 1.00 . A A . 9 ASP H 1 1
9 2318 1 1 9 ASP HA H 0.175 -1.024 3.329 1.00 . A A . 9 ASP HA 1 1
9 2319 1 1 9 ASP HB2 H -2.182 -0.657 4.276 1.00 . A A . 9 ASP HB2 1 1
9 2320 1 1 9 ASP HB3 H -1.809 0.101 2.734 1.00 . A A . 9 ASP HB3 1 1
9 2321 1 1 9 ASP N N -0.508 -2.244 1.812 1.00 . A A . 9 ASP N 1 1
9 2322 1 1 9 ASP O O -0.418 -2.515 5.380 1.00 . A A . 9 ASP O 1 1
9 2323 1 1 9 ASP OD1 O -3.105 -2.725 2.297 1.00 . A A . 9 ASP OD1 1 1
9 2324 1 1 10 PHE C C -2.053 -4.909 5.791 1.00 . A A . 10 PHE C 1 1
9 2325 1 1 10 PHE CA C -1.021 -5.132 4.693 1.00 . A A . 10 PHE CA 1 1
9 2326 1 1 10 PHE CB C 0.362 -5.366 5.309 1.00 . A A . 10 PHE CB 1 1
9 2327 1 1 10 PHE CD1 C 0.771 -7.208 3.638 1.00 . A A . 10 PHE CD1 1 1
9 2328 1 1 10 PHE CD2 C 1.876 -7.320 5.749 1.00 . A A . 10 PHE CD2 1 1
9 2329 1 1 10 PHE CE1 C 1.375 -8.390 3.256 1.00 . A A . 10 PHE CE1 1 1
9 2330 1 1 10 PHE CE2 C 2.482 -8.503 5.371 1.00 . A A . 10 PHE CE2 1 1
9 2331 1 1 10 PHE CG C 1.013 -6.658 4.889 1.00 . A A . 10 PHE CG 1 1
9 2332 1 1 10 PHE CZ C 2.231 -9.039 4.124 1.00 . A A . 10 PHE CZ 1 1
9 2333 1 1 10 PHE H H -1.180 -4.139 2.832 1.00 . A A . 10 PHE H 1 1
9 2334 1 1 10 PHE HA H -1.306 -6.003 4.124 1.00 . A A . 10 PHE HA 1 1
9 2335 1 1 10 PHE HB2 H 1.016 -4.559 5.018 1.00 . A A . 10 PHE HB2 1 1
9 2336 1 1 10 PHE HB3 H 0.271 -5.376 6.385 1.00 . A A . 10 PHE HB3 1 1
9 2337 1 1 10 PHE HD1 H 0.101 -6.703 2.959 1.00 . A A . 10 PHE HD1 1 1
9 2338 1 1 10 PHE HD2 H 2.074 -6.903 6.725 1.00 . A A . 10 PHE HD2 1 1
9 2339 1 1 10 PHE HE1 H 1.176 -8.807 2.280 1.00 . A A . 10 PHE HE1 1 1
9 2340 1 1 10 PHE HE2 H 3.151 -9.008 6.052 1.00 . A A . 10 PHE HE2 1 1
9 2341 1 1 10 PHE HZ H 2.705 -9.963 3.827 1.00 . A A . 10 PHE HZ 1 1
9 2342 1 1 10 PHE N N -0.982 -3.996 3.781 1.00 . A A . 10 PHE N 1 1
9 2343 1 1 10 PHE O O -1.895 -5.391 6.913 1.00 . A A . 10 PHE O 1 1
9 2344 1 1 11 ALA C C -5.343 -4.849 6.234 1.00 . A A . 11 ALA C 1 1
9 2345 1 1 11 ALA CA C -4.169 -3.898 6.420 1.00 . A A . 11 ALA CA 1 1
9 2346 1 1 11 ALA CB C -4.625 -2.453 6.299 1.00 . A A . 11 ALA CB 1 1
9 2347 1 1 11 ALA H H -3.183 -3.824 4.550 1.00 . A A . 11 ALA H 1 1
9 2348 1 1 11 ALA HA H -3.763 -4.044 7.407 1.00 . A A . 11 ALA HA 1 1
9 2349 1 1 11 ALA HB1 H -4.046 -1.835 6.970 1.00 . A A . 11 ALA HB1 1 1
9 2350 1 1 11 ALA HB2 H -5.671 -2.383 6.556 1.00 . A A . 11 ALA HB2 1 1
9 2351 1 1 11 ALA HB3 H -4.480 -2.115 5.283 1.00 . A A . 11 ALA HB3 1 1
9 2352 1 1 11 ALA N N -3.111 -4.179 5.460 1.00 . A A . 11 ALA N 1 1
9 2353 1 1 11 ALA O O -6.478 -4.531 6.590 1.00 . A A . 11 ALA O 1 1
9 2354 1 1 12 GLY C C -6.475 -7.134 3.990 1.00 . A A . 12 GLY C 1 1
9 2355 1 1 12 GLY CA C -6.099 -7.006 5.452 1.00 . A A . 12 GLY CA 1 1
9 2356 1 1 12 GLY H H -4.133 -6.213 5.414 1.00 . A A . 12 GLY H 1 1
9 2357 1 1 12 GLY HA2 H -5.751 -7.964 5.809 1.00 . A A . 12 GLY HA2 1 1
9 2358 1 1 12 GLY HA3 H -6.977 -6.722 6.015 1.00 . A A . 12 GLY HA3 1 1
9 2359 1 1 12 GLY N N -5.060 -6.018 5.675 1.00 . A A . 12 GLY N 1 1
9 2360 1 1 12 GLY O O -6.845 -8.214 3.530 1.00 . A A . 12 GLY O 1 1
9 2361 1 1 13 CYS C C -5.485 -6.408 1.007 1.00 . A A . 13 CYS C 1 1
9 2362 1 1 13 CYS CA C -6.705 -6.029 1.836 1.00 . A A . 13 CYS CA 1 1
9 2363 1 1 13 CYS CB C -7.225 -4.656 1.411 1.00 . A A . 13 CYS CB 1 1
9 2364 1 1 13 CYS H H -6.072 -5.200 3.679 1.00 . A A . 13 CYS H 1 1
9 2365 1 1 13 CYS HA H -7.479 -6.764 1.674 1.00 . A A . 13 CYS HA 1 1
9 2366 1 1 13 CYS HB2 H -6.407 -3.951 1.413 1.00 . A A . 13 CYS HB2 1 1
9 2367 1 1 13 CYS HB3 H -7.630 -4.726 0.412 1.00 . A A . 13 CYS HB3 1 1
9 2368 1 1 13 CYS N N -6.376 -6.031 3.256 1.00 . A A . 13 CYS N 1 1
9 2369 1 1 13 CYS O O -5.513 -7.376 0.246 1.00 . A A . 13 CYS O 1 1
9 2370 1 1 13 CYS SG S -8.530 -3.991 2.493 1.00 . A A . 13 CYS SG 1 1
9 2371 1 1 14 GLY C C -2.916 -4.936 -0.676 1.00 . A A . 14 GLY C 1 1
9 2372 1 1 14 GLY CA C -3.188 -5.928 0.440 1.00 . A A . 14 GLY CA 1 1
9 2373 1 1 14 GLY H H -4.440 -4.894 1.796 1.00 . A A . 14 GLY H 1 1
9 2374 1 1 14 GLY HA2 H -2.361 -5.908 1.132 1.00 . A A . 14 GLY HA2 1 1
9 2375 1 1 14 GLY HA3 H -3.259 -6.918 0.014 1.00 . A A . 14 GLY HA3 1 1
9 2376 1 1 14 GLY N N -4.408 -5.646 1.169 1.00 . A A . 14 GLY N 1 1
9 2377 1 1 14 GLY O O -2.434 -5.318 -1.743 1.00 . A A . 14 GLY O 1 1
9 2378 1 1 15 TYR C C -2.692 -1.269 -0.829 1.00 . A A . 15 TYR C 1 1
9 2379 1 1 15 TYR CA C -2.983 -2.636 -1.449 1.00 . A A . 15 TYR CA 1 1
9 2380 1 1 15 TYR CB C -4.184 -2.535 -2.391 1.00 . A A . 15 TYR CB 1 1
9 2381 1 1 15 TYR CD1 C -2.983 -3.731 -4.262 1.00 . A A . 15 TYR CD1 1 1
9 2382 1 1 15 TYR CD2 C -5.271 -4.271 -3.871 1.00 . A A . 15 TYR CD2 1 1
9 2383 1 1 15 TYR CE1 C -2.942 -4.640 -5.303 1.00 . A A . 15 TYR CE1 1 1
9 2384 1 1 15 TYR CE2 C -5.239 -5.181 -4.910 1.00 . A A . 15 TYR CE2 1 1
9 2385 1 1 15 TYR CG C -4.145 -3.531 -3.529 1.00 . A A . 15 TYR CG 1 1
9 2386 1 1 15 TYR CZ C -4.072 -5.362 -5.623 1.00 . A A . 15 TYR CZ 1 1
9 2387 1 1 15 TYR H H -3.593 -3.407 0.430 1.00 . A A . 15 TYR H 1 1
9 2388 1 1 15 TYR HA H -2.120 -2.938 -2.022 1.00 . A A . 15 TYR HA 1 1
9 2389 1 1 15 TYR HB2 H -5.090 -2.708 -1.830 1.00 . A A . 15 TYR HB2 1 1
9 2390 1 1 15 TYR HB3 H -4.214 -1.543 -2.818 1.00 . A A . 15 TYR HB3 1 1
9 2391 1 1 15 TYR HD1 H -2.098 -3.165 -4.010 1.00 . A A . 15 TYR HD1 1 1
9 2392 1 1 15 TYR HD2 H -6.183 -4.127 -3.311 1.00 . A A . 15 TYR HD2 1 1
9 2393 1 1 15 TYR HE1 H -2.029 -4.781 -5.861 1.00 . A A . 15 TYR HE1 1 1
9 2394 1 1 15 TYR HE2 H -6.125 -5.747 -5.160 1.00 . A A . 15 TYR HE2 1 1
9 2395 1 1 15 TYR HH H -3.211 -6.757 -6.628 1.00 . A A . 15 TYR HH 1 1
9 2396 1 1 15 TYR N N -3.215 -3.661 -0.438 1.00 . A A . 15 TYR N 1 1
9 2397 1 1 15 TYR O O -3.473 -0.757 -0.031 1.00 . A A . 15 TYR O 1 1
9 2398 1 1 15 TYR OH O -4.036 -6.267 -6.658 1.00 . A A . 15 TYR OH 1 1
9 2399 1 1 16 ALA C C -0.424 1.407 -1.832 1.00 . A A . 16 ALA C 1 1
9 2400 1 1 16 ALA CA C -1.144 0.630 -0.740 1.00 . A A . 16 ALA CA 1 1
9 2401 1 1 16 ALA CB C -0.245 0.500 0.476 1.00 . A A . 16 ALA CB 1 1
9 2402 1 1 16 ALA H H -0.995 -1.155 -1.862 1.00 . A A . 16 ALA H 1 1
9 2403 1 1 16 ALA HA H -2.022 1.184 -0.449 1.00 . A A . 16 ALA HA 1 1
9 2404 1 1 16 ALA HB1 H -0.727 -0.121 1.212 1.00 . A A . 16 ALA HB1 1 1
9 2405 1 1 16 ALA HB2 H -0.062 1.479 0.895 1.00 . A A . 16 ALA HB2 1 1
9 2406 1 1 16 ALA HB3 H 0.693 0.053 0.184 1.00 . A A . 16 ALA HB3 1 1
9 2407 1 1 16 ALA N N -1.562 -0.687 -1.222 1.00 . A A . 16 ALA N 1 1
9 2408 1 1 16 ALA O O 0.287 0.831 -2.656 1.00 . A A . 16 ALA O 1 1
9 2409 1 1 17 VAL C C 1.413 4.020 -2.277 1.00 . A A . 17 VAL C 1 1
9 2410 1 1 17 VAL CA C 0.048 3.585 -2.793 1.00 . A A . 17 VAL CA 1 1
9 2411 1 1 17 VAL CB C -0.794 4.841 -3.087 1.00 . A A . 17 VAL CB 1 1
9 2412 1 1 17 VAL CG1 C -0.232 5.594 -4.283 1.00 . A A . 17 VAL CG1 1 1
9 2413 1 1 17 VAL CG2 C -2.251 4.471 -3.317 1.00 . A A . 17 VAL CG2 1 1
9 2414 1 1 17 VAL H H -1.166 3.122 -1.127 1.00 . A A . 17 VAL H 1 1
9 2415 1 1 17 VAL HA H 0.173 3.027 -3.712 1.00 . A A . 17 VAL HA 1 1
9 2416 1 1 17 VAL HB H -0.743 5.491 -2.225 1.00 . A A . 17 VAL HB 1 1
9 2417 1 1 17 VAL HG11 H 0.306 4.907 -4.920 1.00 . A A . 17 VAL HG11 1 1
9 2418 1 1 17 VAL HG12 H 0.440 6.366 -3.938 1.00 . A A . 17 VAL HG12 1 1
9 2419 1 1 17 VAL HG13 H -1.041 6.043 -4.839 1.00 . A A . 17 VAL HG13 1 1
9 2420 1 1 17 VAL HG21 H -2.641 5.039 -4.148 1.00 . A A . 17 VAL HG21 1 1
9 2421 1 1 17 VAL HG22 H -2.823 4.694 -2.429 1.00 . A A . 17 VAL HG22 1 1
9 2422 1 1 17 VAL HG23 H -2.324 3.417 -3.536 1.00 . A A . 17 VAL HG23 1 1
9 2423 1 1 17 VAL N N -0.599 2.721 -1.819 1.00 . A A . 17 VAL N 1 1
9 2424 1 1 17 VAL O O 2.119 4.792 -2.926 1.00 . A A . 17 VAL O 1 1
9 2425 1 1 18 VAL C C 3.763 2.601 0.028 1.00 . A A . 18 VAL C 1 1
9 2426 1 1 18 VAL CA C 3.059 3.850 -0.491 1.00 . A A . 18 VAL CA 1 1
9 2427 1 1 18 VAL CB C 2.887 4.849 0.668 1.00 . A A . 18 VAL CB 1 1
9 2428 1 1 18 VAL CG1 C 4.240 5.358 1.142 1.00 . A A . 18 VAL CG1 1 1
9 2429 1 1 18 VAL CG2 C 1.991 6.004 0.250 1.00 . A A . 18 VAL CG2 1 1
9 2430 1 1 18 VAL H H 1.166 2.901 -0.628 1.00 . A A . 18 VAL H 1 1
9 2431 1 1 18 VAL HA H 3.677 4.311 -1.248 1.00 . A A . 18 VAL HA 1 1
9 2432 1 1 18 VAL HB H 2.414 4.334 1.490 1.00 . A A . 18 VAL HB 1 1
9 2433 1 1 18 VAL HG11 H 4.099 6.232 1.761 1.00 . A A . 18 VAL HG11 1 1
9 2434 1 1 18 VAL HG12 H 4.846 5.617 0.287 1.00 . A A . 18 VAL HG12 1 1
9 2435 1 1 18 VAL HG13 H 4.735 4.587 1.714 1.00 . A A . 18 VAL HG13 1 1
9 2436 1 1 18 VAL HG21 H 1.916 6.714 1.060 1.00 . A A . 18 VAL HG21 1 1
9 2437 1 1 18 VAL HG22 H 1.008 5.628 0.008 1.00 . A A . 18 VAL HG22 1 1
9 2438 1 1 18 VAL HG23 H 2.413 6.492 -0.617 1.00 . A A . 18 VAL HG23 1 1
9 2439 1 1 18 VAL N N 1.778 3.516 -1.099 1.00 . A A . 18 VAL N 1 1
9 2440 1 1 18 VAL O O 3.134 1.567 0.252 1.00 . A A . 18 VAL O 1 1
9 2441 1 1 19 CYS C C 6.795 2.037 1.837 1.00 . A A . 19 CYS C 1 1
9 2442 1 1 19 CYS CA C 5.871 1.588 0.711 1.00 . A A . 19 CYS CA 1 1
9 2443 1 1 19 CYS CB C 6.696 0.974 -0.424 1.00 . A A . 19 CYS CB 1 1
9 2444 1 1 19 CYS H H 5.515 3.558 0.020 1.00 . A A . 19 CYS H 1 1
9 2445 1 1 19 CYS HA H 5.193 0.843 1.095 1.00 . A A . 19 CYS HA 1 1
9 2446 1 1 19 CYS HB2 H 7.582 1.571 -0.578 1.00 . A A . 19 CYS HB2 1 1
9 2447 1 1 19 CYS HB3 H 6.988 -0.028 -0.144 1.00 . A A . 19 CYS HB3 1 1
9 2448 1 1 19 CYS N N 5.073 2.707 0.217 1.00 . A A . 19 CYS N 1 1
9 2449 1 1 19 CYS O O 6.948 1.346 2.845 1.00 . A A . 19 CYS O 1 1
9 2450 1 1 19 CYS SG S 5.818 0.870 -2.019 1.00 . A A . 19 CYS SG 1 1
9 2451 1 1 20 PHE C C 8.110 5.258 2.794 1.00 . A A . 20 PHE C 1 1
9 2452 1 1 20 PHE CA C 8.318 3.754 2.653 1.00 . A A . 20 PHE CA 1 1
9 2453 1 1 20 PHE CB C 9.776 3.460 2.279 1.00 . A A . 20 PHE CB 1 1
9 2454 1 1 20 PHE CD1 C 10.187 4.420 -0.006 1.00 . A A . 20 PHE CD1 1 1
9 2455 1 1 20 PHE CD2 C 10.052 2.050 0.221 1.00 . A A . 20 PHE CD2 1 1
9 2456 1 1 20 PHE CE1 C 10.403 4.281 -1.364 1.00 . A A . 20 PHE CE1 1 1
9 2457 1 1 20 PHE CE2 C 10.267 1.904 -1.136 1.00 . A A . 20 PHE CE2 1 1
9 2458 1 1 20 PHE CG C 10.009 3.307 0.801 1.00 . A A . 20 PHE CG 1 1
9 2459 1 1 20 PHE CZ C 10.443 3.021 -1.930 1.00 . A A . 20 PHE CZ 1 1
9 2460 1 1 20 PHE H H 7.242 3.702 0.834 1.00 . A A . 20 PHE H 1 1
9 2461 1 1 20 PHE HA H 8.097 3.284 3.599 1.00 . A A . 20 PHE HA 1 1
9 2462 1 1 20 PHE HB2 H 10.399 4.270 2.628 1.00 . A A . 20 PHE HB2 1 1
9 2463 1 1 20 PHE HB3 H 10.084 2.544 2.761 1.00 . A A . 20 PHE HB3 1 1
9 2464 1 1 20 PHE HD1 H 10.156 5.405 0.436 1.00 . A A . 20 PHE HD1 1 1
9 2465 1 1 20 PHE HD2 H 9.914 1.176 0.840 1.00 . A A . 20 PHE HD2 1 1
9 2466 1 1 20 PHE HE1 H 10.539 5.156 -1.982 1.00 . A A . 20 PHE HE1 1 1
9 2467 1 1 20 PHE HE2 H 10.298 0.918 -1.576 1.00 . A A . 20 PHE HE2 1 1
9 2468 1 1 20 PHE HZ H 10.611 2.910 -2.991 1.00 . A A . 20 PHE HZ 1 1
9 2469 1 1 20 PHE N N 7.408 3.201 1.657 1.00 . A A . 20 PHE N 1 1
9 2470 1 1 20 PHE O O 8.400 6.019 1.873 1.00 . A A . 20 PHE O 1 1
9 2471 1 1 21 DTR C C 7.453 7.327 5.765 1.00 . A A . 21 DTR C 1 1
9 2472 1 1 21 DTR CA C 7.328 7.076 4.267 1.00 . A A . 21 DTR CA 1 1
9 2473 1 1 21 DTR CB C 8.282 8.017 3.519 1.00 . A A . 21 DTR CB 1 1
9 2474 1 1 21 DTR CD1 C 10.263 6.680 4.455 1.00 . A A . 21 DTR CD1 1 1
9 2475 1 1 21 DTR CD2 C 10.814 8.144 2.852 1.00 . A A . 21 DTR CD2 1 1
9 2476 1 1 21 DTR CE2 C 11.982 7.482 3.276 1.00 . A A . 21 DTR CE2 1 1
9 2477 1 1 21 DTR CE3 C 10.914 9.111 1.849 1.00 . A A . 21 DTR CE3 1 1
9 2478 1 1 21 DTR CG C 9.725 7.616 3.619 1.00 . A A . 21 DTR CG 1 1
9 2479 1 1 21 DTR CH2 C 13.301 8.709 1.749 1.00 . A A . 21 DTR CH2 1 1
9 2480 1 1 21 DTR CZ2 C 13.234 7.758 2.730 1.00 . A A . 21 DTR CZ2 1 1
9 2481 1 1 21 DTR CZ3 C 12.156 9.383 1.308 1.00 . A A . 21 DTR CZ3 1 1
9 2482 1 1 21 DTR H H 7.388 4.991 4.636 1.00 . A A . 21 DTR H 1 1
9 2483 1 1 21 DTR HA H 6.313 7.291 3.964 1.00 . A A . 21 DTR HA 1 1
9 2484 1 1 21 DTR HB2 H 8.013 8.038 2.475 1.00 . A A . 21 DTR HB2 1 1
9 2485 1 1 21 DTR HB3 H 8.185 9.012 3.928 1.00 . A A . 21 DTR HB3 1 1
9 2486 1 1 21 DTR HD1 H 9.694 6.100 5.167 1.00 . A A . 21 DTR HD1 1 1
9 2487 1 1 21 DTR HE1 H 12.230 5.993 4.734 1.00 . A A . 21 DTR HE1 1 1
9 2488 1 1 21 DTR HE3 H 10.042 9.641 1.495 1.00 . A A . 21 DTR HE3 1 1
9 2489 1 1 21 DTR HH2 H 14.252 8.955 1.298 1.00 . A A . 21 DTR HH2 1 1
9 2490 1 1 21 DTR HZ2 H 14.126 7.246 3.059 1.00 . A A . 21 DTR HZ2 1 1
9 2491 1 1 21 DTR HZ3 H 12.253 10.128 0.531 1.00 . A A . 21 DTR HZ3 1 1
9 2492 1 1 21 DTR N N 7.597 5.665 3.958 1.00 . A A . 21 DTR N 1 1
9 2493 1 1 21 DTR NE1 N 11.620 6.593 4.255 1.00 . A A . 21 DTR NE1 1 1
10 2494 1 1 1 CYS C C -6.189 -0.315 1.393 1.00 . A A . 1 CYS C 1 1
10 2495 1 1 1 CYS CA C -5.572 -1.476 2.173 1.00 . A A . 1 CYS CA 1 1
10 2496 1 1 1 CYS CB C -6.561 -2.003 3.223 1.00 . A A . 1 CYS CB 1 1
10 2497 1 1 1 CYS H1 H -4.217 -0.086 2.818 1.00 . A A . 1 CYS H1 1 1
10 2498 1 1 1 CYS HA H -5.336 -2.271 1.482 1.00 . A A . 1 CYS HA 1 1
10 2499 1 1 1 CYS HB2 H -6.321 -3.032 3.445 1.00 . A A . 1 CYS HB2 1 1
10 2500 1 1 1 CYS HB3 H -6.459 -1.416 4.125 1.00 . A A . 1 CYS HB3 1 1
10 2501 1 1 1 CYS N N -4.328 -1.060 2.816 1.00 . A A . 1 CYS N 1 1
10 2502 1 1 1 CYS O O -6.829 0.563 1.971 1.00 . A A . 1 CYS O 1 1
10 2503 1 1 1 CYS SG S -8.316 -1.946 2.720 1.00 . A A . 1 CYS SG 1 1
10 2504 1 1 2 LEU C C -6.818 0.193 -2.175 1.00 . A A . 2 LEU C 1 1
10 2505 1 1 2 LEU CA C -6.521 0.729 -0.780 1.00 . A A . 2 LEU CA 1 1
10 2506 1 1 2 LEU CB C -5.534 1.895 -0.865 1.00 . A A . 2 LEU CB 1 1
10 2507 1 1 2 LEU CD1 C -4.056 3.519 0.347 1.00 . A A . 2 LEU CD1 1 1
10 2508 1 1 2 LEU CD2 C -6.505 3.447 0.846 1.00 . A A . 2 LEU CD2 1 1
10 2509 1 1 2 LEU CG C -5.284 2.629 0.454 1.00 . A A . 2 LEU CG 1 1
10 2510 1 1 2 LEU H H -5.468 -1.048 -0.319 1.00 . A A . 2 LEU H 1 1
10 2511 1 1 2 LEU HA H -7.440 1.082 -0.346 1.00 . A A . 2 LEU HA 1 1
10 2512 1 1 2 LEU HB2 H -4.590 1.514 -1.227 1.00 . A A . 2 LEU HB2 1 1
10 2513 1 1 2 LEU HB3 H -5.912 2.608 -1.582 1.00 . A A . 2 LEU HB3 1 1
10 2514 1 1 2 LEU HD11 H -3.872 3.994 1.299 1.00 . A A . 2 LEU HD11 1 1
10 2515 1 1 2 LEU HD12 H -4.225 4.275 -0.406 1.00 . A A . 2 LEU HD12 1 1
10 2516 1 1 2 LEU HD13 H -3.201 2.920 0.072 1.00 . A A . 2 LEU HD13 1 1
10 2517 1 1 2 LEU HD21 H -6.362 4.474 0.543 1.00 . A A . 2 LEU HD21 1 1
10 2518 1 1 2 LEU HD22 H -6.640 3.403 1.916 1.00 . A A . 2 LEU HD22 1 1
10 2519 1 1 2 LEU HD23 H -7.380 3.046 0.356 1.00 . A A . 2 LEU HD23 1 1
10 2520 1 1 2 LEU HG H -5.102 1.903 1.233 1.00 . A A . 2 LEU HG 1 1
10 2521 1 1 2 LEU N N -5.989 -0.321 0.080 1.00 . A A . 2 LEU N 1 1
10 2522 1 1 2 LEU O O -6.467 -0.939 -2.505 1.00 . A A . 2 LEU O 1 1
10 2523 1 1 3 GLY C C -6.675 0.929 -5.325 1.00 . A A . 3 GLY C 1 1
10 2524 1 1 3 GLY CA C -7.790 0.615 -4.346 1.00 . A A . 3 GLY CA 1 1
10 2525 1 1 3 GLY H H -7.714 1.912 -2.674 1.00 . A A . 3 GLY H 1 1
10 2526 1 1 3 GLY HA2 H -7.978 -0.449 -4.358 1.00 . A A . 3 GLY HA2 1 1
10 2527 1 1 3 GLY HA3 H -8.686 1.131 -4.659 1.00 . A A . 3 GLY HA3 1 1
10 2528 1 1 3 GLY N N -7.463 1.019 -2.992 1.00 . A A . 3 GLY N 1 1
10 2529 1 1 3 GLY O O -6.900 0.992 -6.533 1.00 . A A . 3 GLY O 1 1
10 2530 1 1 4 VAL C C -3.593 0.162 -6.069 1.00 . A A . 4 VAL C 1 1
10 2531 1 1 4 VAL CA C -4.313 1.442 -5.629 1.00 . A A . 4 VAL CA 1 1
10 2532 1 1 4 VAL CB C -3.345 2.390 -4.879 1.00 . A A . 4 VAL CB 1 1
10 2533 1 1 4 VAL CG1 C -2.373 1.621 -3.990 1.00 . A A . 4 VAL CG1 1 1
10 2534 1 1 4 VAL CG2 C -2.599 3.286 -5.860 1.00 . A A . 4 VAL CG2 1 1
10 2535 1 1 4 VAL H H -5.355 1.069 -3.827 1.00 . A A . 4 VAL H 1 1
10 2536 1 1 4 VAL HA H -4.672 1.956 -6.510 1.00 . A A . 4 VAL HA 1 1
10 2537 1 1 4 VAL HB H -3.938 3.025 -4.241 1.00 . A A . 4 VAL HB 1 1
10 2538 1 1 4 VAL HG11 H -2.313 2.098 -3.024 1.00 . A A . 4 VAL HG11 1 1
10 2539 1 1 4 VAL HG12 H -1.396 1.614 -4.447 1.00 . A A . 4 VAL HG12 1 1
10 2540 1 1 4 VAL HG13 H -2.720 0.605 -3.867 1.00 . A A . 4 VAL HG13 1 1
10 2541 1 1 4 VAL HG21 H -1.541 3.259 -5.641 1.00 . A A . 4 VAL HG21 1 1
10 2542 1 1 4 VAL HG22 H -2.959 4.300 -5.767 1.00 . A A . 4 VAL HG22 1 1
10 2543 1 1 4 VAL HG23 H -2.767 2.935 -6.868 1.00 . A A . 4 VAL HG23 1 1
10 2544 1 1 4 VAL N N -5.470 1.129 -4.799 1.00 . A A . 4 VAL N 1 1
10 2545 1 1 4 VAL O O -4.185 -0.917 -6.067 1.00 . A A . 4 VAL O 1 1
10 2546 1 1 5 GLY C C -0.075 -0.618 -6.968 1.00 . A A . 5 GLY C 1 1
10 2547 1 1 5 GLY CA C -1.568 -0.879 -6.880 1.00 . A A . 5 GLY CA 1 1
10 2548 1 1 5 GLY H H -1.895 1.162 -6.432 1.00 . A A . 5 GLY H 1 1
10 2549 1 1 5 GLY HA2 H -1.739 -1.684 -6.180 1.00 . A A . 5 GLY HA2 1 1
10 2550 1 1 5 GLY HA3 H -1.926 -1.182 -7.853 1.00 . A A . 5 GLY HA3 1 1
10 2551 1 1 5 GLY N N -2.322 0.283 -6.447 1.00 . A A . 5 GLY N 1 1
10 2552 1 1 5 GLY O O 0.594 -1.119 -7.872 1.00 . A A . 5 GLY O 1 1
10 2553 1 1 6 SER C C 2.590 -0.353 -4.943 1.00 . A A . 6 SER C 1 1
10 2554 1 1 6 SER CA C 1.877 0.474 -6.007 1.00 . A A . 6 SER CA 1 1
10 2555 1 1 6 SER CB C 2.090 1.965 -5.743 1.00 . A A . 6 SER CB 1 1
10 2556 1 1 6 SER H H -0.128 0.529 -5.328 1.00 . A A . 6 SER H 1 1
10 2557 1 1 6 SER HA H 2.286 0.225 -6.975 1.00 . A A . 6 SER HA 1 1
10 2558 1 1 6 SER HB2 H 1.875 2.522 -6.643 1.00 . A A . 6 SER HB2 1 1
10 2559 1 1 6 SER HB3 H 1.427 2.287 -4.953 1.00 . A A . 6 SER HB3 1 1
10 2560 1 1 6 SER HG H 4.013 2.082 -6.099 1.00 . A A . 6 SER HG 1 1
10 2561 1 1 6 SER N N 0.452 0.160 -6.028 1.00 . A A . 6 SER N 1 1
10 2562 1 1 6 SER O O 3.728 -0.784 -5.130 1.00 . A A . 6 SER O 1 1
10 2563 1 1 6 SER OG O 3.427 2.229 -5.353 1.00 . A A . 6 SER OG 1 1
10 2564 1 1 7 CYS C C 1.325 -2.051 -1.969 1.00 . A A . 7 CYS C 1 1
10 2565 1 1 7 CYS CA C 2.449 -1.349 -2.723 1.00 . A A . 7 CYS CA 1 1
10 2566 1 1 7 CYS CB C 3.240 -0.441 -1.777 1.00 . A A . 7 CYS CB 1 1
10 2567 1 1 7 CYS H H 0.999 -0.202 -3.747 1.00 . A A . 7 CYS H 1 1
10 2568 1 1 7 CYS HA H 3.112 -2.096 -3.134 1.00 . A A . 7 CYS HA 1 1
10 2569 1 1 7 CYS HB2 H 3.417 0.506 -2.265 1.00 . A A . 7 CYS HB2 1 1
10 2570 1 1 7 CYS HB3 H 2.661 -0.274 -0.881 1.00 . A A . 7 CYS HB3 1 1
10 2571 1 1 7 CYS N N 1.903 -0.572 -3.828 1.00 . A A . 7 CYS N 1 1
10 2572 1 1 7 CYS O O 0.223 -2.208 -2.495 1.00 . A A . 7 CYS O 1 1
10 2573 1 1 7 CYS SG S 4.857 -1.116 -1.277 1.00 . A A . 7 CYS SG 1 1
10 2574 1 1 8 VAL C C 0.562 -2.601 1.488 1.00 . A A . 8 VAL C 1 1
10 2575 1 1 8 VAL CA C 0.594 -3.147 0.070 1.00 . A A . 8 VAL CA 1 1
10 2576 1 1 8 VAL CB C 0.845 -4.662 0.144 1.00 . A A . 8 VAL CB 1 1
10 2577 1 1 8 VAL CG1 C -0.369 -5.389 0.702 1.00 . A A . 8 VAL CG1 1 1
10 2578 1 1 8 VAL CG2 C 1.231 -5.218 -1.218 1.00 . A A . 8 VAL CG2 1 1
10 2579 1 1 8 VAL H H 2.492 -2.316 -0.365 1.00 . A A . 8 VAL H 1 1
10 2580 1 1 8 VAL HA H -0.370 -2.984 -0.390 1.00 . A A . 8 VAL HA 1 1
10 2581 1 1 8 VAL HB H 1.663 -4.824 0.821 1.00 . A A . 8 VAL HB 1 1
10 2582 1 1 8 VAL HG11 H -0.090 -5.917 1.602 1.00 . A A . 8 VAL HG11 1 1
10 2583 1 1 8 VAL HG12 H -0.736 -6.095 -0.029 1.00 . A A . 8 VAL HG12 1 1
10 2584 1 1 8 VAL HG13 H -1.143 -4.675 0.931 1.00 . A A . 8 VAL HG13 1 1
10 2585 1 1 8 VAL HG21 H 2.306 -5.227 -1.312 1.00 . A A . 8 VAL HG21 1 1
10 2586 1 1 8 VAL HG22 H 0.805 -4.598 -1.992 1.00 . A A . 8 VAL HG22 1 1
10 2587 1 1 8 VAL HG23 H 0.852 -6.225 -1.315 1.00 . A A . 8 VAL HG23 1 1
10 2588 1 1 8 VAL N N 1.599 -2.469 -0.738 1.00 . A A . 8 VAL N 1 1
10 2589 1 1 8 VAL O O 1.577 -2.152 2.022 1.00 . A A . 8 VAL O 1 1
10 2590 1 1 9 ASP C C -0.950 -3.343 4.426 1.00 . A A . 9 ASP C 1 1
10 2591 1 1 9 ASP CA C -0.804 -2.174 3.455 1.00 . A A . 9 ASP CA 1 1
10 2592 1 1 9 ASP CB C -2.033 -1.263 3.544 1.00 . A A . 9 ASP CB 1 1
10 2593 1 1 9 ASP CG C -3.248 -1.837 2.837 1.00 . A A . 9 ASP CG 1 1
10 2594 1 1 9 ASP H H -1.374 -3.029 1.605 1.00 . A A . 9 ASP H 1 1
10 2595 1 1 9 ASP HA H 0.073 -1.606 3.728 1.00 . A A . 9 ASP HA 1 1
10 2596 1 1 9 ASP HB2 H -2.285 -1.113 4.583 1.00 . A A . 9 ASP HB2 1 1
10 2597 1 1 9 ASP HB3 H -1.796 -0.309 3.097 1.00 . A A . 9 ASP HB3 1 1
10 2598 1 1 9 ASP N N -0.614 -2.652 2.091 1.00 . A A . 9 ASP N 1 1
10 2599 1 1 9 ASP O O -0.797 -3.178 5.636 1.00 . A A . 9 ASP O 1 1
10 2600 1 1 9 ASP OD1 O -3.213 -2.954 2.323 1.00 . A A . 9 ASP OD1 1 1
10 2601 1 1 10 PHE C C -2.535 -5.536 5.717 1.00 . A A . 10 PHE C 1 1
10 2602 1 1 10 PHE CA C -1.406 -5.717 4.710 1.00 . A A . 10 PHE CA 1 1
10 2603 1 1 10 PHE CB C -0.104 -6.040 5.442 1.00 . A A . 10 PHE CB 1 1
10 2604 1 1 10 PHE CD1 C 2.003 -4.954 4.621 1.00 . A A . 10 PHE CD1 1 1
10 2605 1 1 10 PHE CD2 C 1.347 -7.032 3.653 1.00 . A A . 10 PHE CD2 1 1
10 2606 1 1 10 PHE CE1 C 3.118 -4.922 3.804 1.00 . A A . 10 PHE CE1 1 1
10 2607 1 1 10 PHE CE2 C 2.460 -7.006 2.834 1.00 . A A . 10 PHE CE2 1 1
10 2608 1 1 10 PHE CG C 1.106 -6.008 4.554 1.00 . A A . 10 PHE CG 1 1
10 2609 1 1 10 PHE CZ C 3.346 -5.949 2.910 1.00 . A A . 10 PHE CZ 1 1
10 2610 1 1 10 PHE H H -1.353 -4.597 2.919 1.00 . A A . 10 PHE H 1 1
10 2611 1 1 10 PHE HA H -1.654 -6.538 4.055 1.00 . A A . 10 PHE HA 1 1
10 2612 1 1 10 PHE HB2 H 0.045 -5.319 6.232 1.00 . A A . 10 PHE HB2 1 1
10 2613 1 1 10 PHE HB3 H -0.177 -7.028 5.872 1.00 . A A . 10 PHE HB3 1 1
10 2614 1 1 10 PHE HD1 H 1.825 -4.150 5.320 1.00 . A A . 10 PHE HD1 1 1
10 2615 1 1 10 PHE HD2 H 0.654 -7.859 3.593 1.00 . A A . 10 PHE HD2 1 1
10 2616 1 1 10 PHE HE1 H 3.809 -4.094 3.865 1.00 . A A . 10 PHE HE1 1 1
10 2617 1 1 10 PHE HE2 H 2.636 -7.810 2.136 1.00 . A A . 10 PHE HE2 1 1
10 2618 1 1 10 PHE HZ H 4.216 -5.926 2.271 1.00 . A A . 10 PHE HZ 1 1
10 2619 1 1 10 PHE N N -1.244 -4.524 3.889 1.00 . A A . 10 PHE N 1 1
10 2620 1 1 10 PHE O O -2.503 -6.102 6.809 1.00 . A A . 10 PHE O 1 1
10 2621 1 1 11 ALA C C -5.858 -5.373 5.822 1.00 . A A . 11 ALA C 1 1
10 2622 1 1 11 ALA CA C -4.675 -4.500 6.212 1.00 . A A . 11 ALA CA 1 1
10 2623 1 1 11 ALA CB C -5.061 -3.029 6.174 1.00 . A A . 11 ALA CB 1 1
10 2624 1 1 11 ALA H H -3.506 -4.327 4.456 1.00 . A A . 11 ALA H 1 1
10 2625 1 1 11 ALA HA H -4.380 -4.747 7.219 1.00 . A A . 11 ALA HA 1 1
10 2626 1 1 11 ALA HB1 H -4.222 -2.446 5.826 1.00 . A A . 11 ALA HB1 1 1
10 2627 1 1 11 ALA HB2 H -5.338 -2.704 7.166 1.00 . A A . 11 ALA HB2 1 1
10 2628 1 1 11 ALA HB3 H -5.897 -2.894 5.504 1.00 . A A . 11 ALA HB3 1 1
10 2629 1 1 11 ALA N N -3.535 -4.748 5.341 1.00 . A A . 11 ALA N 1 1
10 2630 1 1 11 ALA O O -7.013 -5.017 6.057 1.00 . A A . 11 ALA O 1 1
10 2631 1 1 12 GLY C C -6.907 -7.320 3.328 1.00 . A A . 12 GLY C 1 1
10 2632 1 1 12 GLY CA C -6.608 -7.433 4.807 1.00 . A A . 12 GLY CA 1 1
10 2633 1 1 12 GLY H H -4.619 -6.746 5.063 1.00 . A A . 12 GLY H 1 1
10 2634 1 1 12 GLY HA2 H -6.299 -8.444 5.026 1.00 . A A . 12 GLY HA2 1 1
10 2635 1 1 12 GLY HA3 H -7.507 -7.212 5.363 1.00 . A A . 12 GLY HA3 1 1
10 2636 1 1 12 GLY N N -5.560 -6.520 5.224 1.00 . A A . 12 GLY N 1 1
10 2637 1 1 12 GLY O O -7.243 -8.309 2.676 1.00 . A A . 12 GLY O 1 1
10 2638 1 1 13 CYS C C -5.770 -6.153 0.571 1.00 . A A . 13 CYS C 1 1
10 2639 1 1 13 CYS CA C -7.025 -5.864 1.383 1.00 . A A . 13 CYS CA 1 1
10 2640 1 1 13 CYS CB C -7.477 -4.420 1.169 1.00 . A A . 13 CYS CB 1 1
10 2641 1 1 13 CYS H H -6.498 -5.365 3.369 1.00 . A A . 13 CYS H 1 1
10 2642 1 1 13 CYS HA H -7.811 -6.532 1.062 1.00 . A A . 13 CYS HA 1 1
10 2643 1 1 13 CYS HB2 H -6.631 -3.762 1.299 1.00 . A A . 13 CYS HB2 1 1
10 2644 1 1 13 CYS HB3 H -7.859 -4.313 0.165 1.00 . A A . 13 CYS HB3 1 1
10 2645 1 1 13 CYS N N -6.777 -6.110 2.797 1.00 . A A . 13 CYS N 1 1
10 2646 1 1 13 CYS O O -5.835 -6.724 -0.518 1.00 . A A . 13 CYS O 1 1
10 2647 1 1 13 CYS SG S -8.781 -3.881 2.322 1.00 . A A . 13 CYS SG 1 1
10 2648 1 1 14 GLY C C -3.036 -4.956 -0.595 1.00 . A A . 14 GLY C 1 1
10 2649 1 1 14 GLY CA C -3.361 -6.003 0.454 1.00 . A A . 14 GLY CA 1 1
10 2650 1 1 14 GLY H H -4.636 -5.328 1.998 1.00 . A A . 14 GLY H 1 1
10 2651 1 1 14 GLY HA2 H -2.579 -6.011 1.195 1.00 . A A . 14 GLY HA2 1 1
10 2652 1 1 14 GLY HA3 H -3.397 -6.972 -0.022 1.00 . A A . 14 GLY HA3 1 1
10 2653 1 1 14 GLY N N -4.624 -5.767 1.122 1.00 . A A . 14 GLY N 1 1
10 2654 1 1 14 GLY O O -2.557 -5.289 -1.678 1.00 . A A . 14 GLY O 1 1
10 2655 1 1 15 TYR C C -2.674 -1.303 -0.504 1.00 . A A . 15 TYR C 1 1
10 2656 1 1 15 TYR CA C -3.010 -2.610 -1.221 1.00 . A A . 15 TYR CA 1 1
10 2657 1 1 15 TYR CB C -4.198 -2.401 -2.160 1.00 . A A . 15 TYR CB 1 1
10 2658 1 1 15 TYR CD1 C -3.134 -3.579 -4.123 1.00 . A A . 15 TYR CD1 1 1
10 2659 1 1 15 TYR CD2 C -5.390 -4.121 -3.573 1.00 . A A . 15 TYR CD2 1 1
10 2660 1 1 15 TYR CE1 C -3.169 -4.479 -5.171 1.00 . A A . 15 TYR CE1 1 1
10 2661 1 1 15 TYR CE2 C -5.432 -5.022 -4.620 1.00 . A A . 15 TYR CE2 1 1
10 2662 1 1 15 TYR CG C -4.242 -3.385 -3.307 1.00 . A A . 15 TYR CG 1 1
10 2663 1 1 15 TYR CZ C -4.320 -5.198 -5.416 1.00 . A A . 15 TYR CZ 1 1
10 2664 1 1 15 TYR H H -3.670 -3.477 0.598 1.00 . A A . 15 TYR H 1 1
10 2665 1 1 15 TYR HA H -2.153 -2.907 -1.807 1.00 . A A . 15 TYR HA 1 1
10 2666 1 1 15 TYR HB2 H -5.114 -2.505 -1.599 1.00 . A A . 15 TYR HB2 1 1
10 2667 1 1 15 TYR HB3 H -4.148 -1.405 -2.577 1.00 . A A . 15 TYR HB3 1 1
10 2668 1 1 15 TYR HD1 H -2.234 -3.015 -3.929 1.00 . A A . 15 TYR HD1 1 1
10 2669 1 1 15 TYR HD2 H -6.260 -3.981 -2.949 1.00 . A A . 15 TYR HD2 1 1
10 2670 1 1 15 TYR HE1 H -2.297 -4.616 -5.794 1.00 . A A . 15 TYR HE1 1 1
10 2671 1 1 15 TYR HE2 H -6.334 -5.585 -4.811 1.00 . A A . 15 TYR HE2 1 1
10 2672 1 1 15 TYR HH H -4.279 -6.988 -6.116 1.00 . A A . 15 TYR HH 1 1
10 2673 1 1 15 TYR N N -3.291 -3.689 -0.280 1.00 . A A . 15 TYR N 1 1
10 2674 1 1 15 TYR O O -3.473 -0.780 0.271 1.00 . A A . 15 TYR O 1 1
10 2675 1 1 15 TYR OH O -4.358 -6.095 -6.458 1.00 . A A . 15 TYR OH 1 1
10 2676 1 1 16 ALA C C -0.454 1.393 -1.259 1.00 . A A . 16 ALA C 1 1
10 2677 1 1 16 ALA CA C -1.023 0.470 -0.194 1.00 . A A . 16 ALA CA 1 1
10 2678 1 1 16 ALA CB C 0.023 0.203 0.876 1.00 . A A . 16 ALA CB 1 1
10 2679 1 1 16 ALA H H -0.903 -1.249 -1.416 1.00 . A A . 16 ALA H 1 1
10 2680 1 1 16 ALA HA H -1.862 0.960 0.273 1.00 . A A . 16 ALA HA 1 1
10 2681 1 1 16 ALA HB1 H 0.835 -0.368 0.451 1.00 . A A . 16 ALA HB1 1 1
10 2682 1 1 16 ALA HB2 H -0.425 -0.353 1.685 1.00 . A A . 16 ALA HB2 1 1
10 2683 1 1 16 ALA HB3 H 0.402 1.142 1.251 1.00 . A A . 16 ALA HB3 1 1
10 2684 1 1 16 ALA N N -1.485 -0.781 -0.786 1.00 . A A . 16 ALA N 1 1
10 2685 1 1 16 ALA O O 0.215 0.947 -2.191 1.00 . A A . 16 ALA O 1 1
10 2686 1 1 17 VAL C C 1.162 4.167 -1.613 1.00 . A A . 17 VAL C 1 1
10 2687 1 1 17 VAL CA C -0.213 3.675 -2.047 1.00 . A A . 17 VAL CA 1 1
10 2688 1 1 17 VAL CB C -1.156 4.890 -2.156 1.00 . A A . 17 VAL CB 1 1
10 2689 1 1 17 VAL CG1 C -0.740 5.784 -3.313 1.00 . A A . 17 VAL CG1 1 1
10 2690 1 1 17 VAL CG2 C -2.603 4.446 -2.312 1.00 . A A . 17 VAL CG2 1 1
10 2691 1 1 17 VAL H H -1.243 2.976 -0.337 1.00 . A A . 17 VAL H 1 1
10 2692 1 1 17 VAL HA H -0.135 3.208 -3.021 1.00 . A A . 17 VAL HA 1 1
10 2693 1 1 17 VAL HB H -1.075 5.463 -1.243 1.00 . A A . 17 VAL HB 1 1
10 2694 1 1 17 VAL HG11 H 0.058 6.437 -2.994 1.00 . A A . 17 VAL HG11 1 1
10 2695 1 1 17 VAL HG12 H -1.585 6.376 -3.632 1.00 . A A . 17 VAL HG12 1 1
10 2696 1 1 17 VAL HG13 H -0.399 5.172 -4.135 1.00 . A A . 17 VAL HG13 1 1
10 2697 1 1 17 VAL HG21 H -2.756 3.519 -1.780 1.00 . A A . 17 VAL HG21 1 1
10 2698 1 1 17 VAL HG22 H -2.823 4.303 -3.358 1.00 . A A . 17 VAL HG22 1 1
10 2699 1 1 17 VAL HG23 H -3.257 5.205 -1.908 1.00 . A A . 17 VAL HG23 1 1
10 2700 1 1 17 VAL N N -0.713 2.683 -1.107 1.00 . A A . 17 VAL N 1 1
10 2701 1 1 17 VAL O O 1.793 4.967 -2.304 1.00 . A A . 17 VAL O 1 1
10 2702 1 1 18 VAL C C 3.592 2.923 0.804 1.00 . A A . 18 VAL C 1 1
10 2703 1 1 18 VAL CA C 2.923 4.079 0.067 1.00 . A A . 18 VAL CA 1 1
10 2704 1 1 18 VAL CB C 2.802 5.282 1.024 1.00 . A A . 18 VAL CB 1 1
10 2705 1 1 18 VAL CG1 C 4.170 5.887 1.296 1.00 . A A . 18 VAL CG1 1 1
10 2706 1 1 18 VAL CG2 C 1.855 6.328 0.456 1.00 . A A . 18 VAL CG2 1 1
10 2707 1 1 18 VAL H H 1.068 3.046 0.049 1.00 . A A . 18 VAL H 1 1
10 2708 1 1 18 VAL HA H 3.545 4.370 -0.766 1.00 . A A . 18 VAL HA 1 1
10 2709 1 1 18 VAL HB H 2.397 4.931 1.962 1.00 . A A . 18 VAL HB 1 1
10 2710 1 1 18 VAL HG11 H 4.071 6.953 1.435 1.00 . A A . 18 VAL HG11 1 1
10 2711 1 1 18 VAL HG12 H 4.823 5.693 0.458 1.00 . A A . 18 VAL HG12 1 1
10 2712 1 1 18 VAL HG13 H 4.589 5.446 2.189 1.00 . A A . 18 VAL HG13 1 1
10 2713 1 1 18 VAL HG21 H 0.834 6.035 0.654 1.00 . A A . 18 VAL HG21 1 1
10 2714 1 1 18 VAL HG22 H 2.006 6.411 -0.610 1.00 . A A . 18 VAL HG22 1 1
10 2715 1 1 18 VAL HG23 H 2.052 7.283 0.922 1.00 . A A . 18 VAL HG23 1 1
10 2716 1 1 18 VAL N N 1.621 3.684 -0.460 1.00 . A A . 18 VAL N 1 1
10 2717 1 1 18 VAL O O 2.927 1.977 1.228 1.00 . A A . 18 VAL O 1 1
10 2718 1 1 19 CYS C C 6.898 2.550 2.329 1.00 . A A . 19 CYS C 1 1
10 2719 1 1 19 CYS CA C 5.668 1.967 1.641 1.00 . A A . 19 CYS CA 1 1
10 2720 1 1 19 CYS CB C 6.086 0.874 0.655 1.00 . A A . 19 CYS CB 1 1
10 2721 1 1 19 CYS H H 5.383 3.786 0.595 1.00 . A A . 19 CYS H 1 1
10 2722 1 1 19 CYS HA H 5.027 1.535 2.391 1.00 . A A . 19 CYS HA 1 1
10 2723 1 1 19 CYS HB2 H 6.068 1.276 -0.346 1.00 . A A . 19 CYS HB2 1 1
10 2724 1 1 19 CYS HB3 H 7.091 0.551 0.890 1.00 . A A . 19 CYS HB3 1 1
10 2725 1 1 19 CYS N N 4.910 3.007 0.954 1.00 . A A . 19 CYS N 1 1
10 2726 1 1 19 CYS O O 7.191 2.224 3.480 1.00 . A A . 19 CYS O 1 1
10 2727 1 1 19 CYS SG S 5.012 -0.598 0.680 1.00 . A A . 19 CYS SG 1 1
10 2728 1 1 20 PHE C C 8.664 5.556 2.223 1.00 . A A . 20 PHE C 1 1
10 2729 1 1 20 PHE CA C 8.817 4.039 2.161 1.00 . A A . 20 PHE CA 1 1
10 2730 1 1 20 PHE CB C 10.051 3.672 1.326 1.00 . A A . 20 PHE CB 1 1
10 2731 1 1 20 PHE CD1 C 9.767 1.796 -0.317 1.00 . A A . 20 PHE CD1 1 1
10 2732 1 1 20 PHE CD2 C 9.403 4.028 -1.074 1.00 . A A . 20 PHE CD2 1 1
10 2733 1 1 20 PHE CE1 C 9.476 1.316 -1.580 1.00 . A A . 20 PHE CE1 1 1
10 2734 1 1 20 PHE CE2 C 9.111 3.554 -2.340 1.00 . A A . 20 PHE CE2 1 1
10 2735 1 1 20 PHE CG C 9.733 3.155 -0.050 1.00 . A A . 20 PHE CG 1 1
10 2736 1 1 20 PHE CZ C 9.148 2.196 -2.593 1.00 . A A . 20 PHE CZ 1 1
10 2737 1 1 20 PHE H H 7.330 3.629 0.707 1.00 . A A . 20 PHE H 1 1
10 2738 1 1 20 PHE HA H 8.954 3.669 3.164 1.00 . A A . 20 PHE HA 1 1
10 2739 1 1 20 PHE HB2 H 10.673 4.547 1.212 1.00 . A A . 20 PHE HB2 1 1
10 2740 1 1 20 PHE HB3 H 10.610 2.907 1.846 1.00 . A A . 20 PHE HB3 1 1
10 2741 1 1 20 PHE HD1 H 10.023 1.107 0.474 1.00 . A A . 20 PHE HD1 1 1
10 2742 1 1 20 PHE HD2 H 9.374 5.089 -0.878 1.00 . A A . 20 PHE HD2 1 1
10 2743 1 1 20 PHE HE1 H 9.506 0.254 -1.775 1.00 . A A . 20 PHE HE1 1 1
10 2744 1 1 20 PHE HE2 H 8.854 4.244 -3.130 1.00 . A A . 20 PHE HE2 1 1
10 2745 1 1 20 PHE HZ H 8.920 1.823 -3.580 1.00 . A A . 20 PHE HZ 1 1
10 2746 1 1 20 PHE N N 7.615 3.411 1.618 1.00 . A A . 20 PHE N 1 1
10 2747 1 1 20 PHE O O 9.031 6.177 3.219 1.00 . A A . 20 PHE O 1 1
10 2748 1 1 21 DTR C C 6.719 7.873 0.122 1.00 . A A . 21 DTR C 1 1
10 2749 1 1 21 DTR CA C 7.909 7.583 1.032 1.00 . A A . 21 DTR CA 1 1
10 2750 1 1 21 DTR CB C 7.662 8.242 2.399 1.00 . A A . 21 DTR CB 1 1
10 2751 1 1 21 DTR CD1 C 6.196 6.650 3.782 1.00 . A A . 21 DTR CD1 1 1
10 2752 1 1 21 DTR CD2 C 5.142 8.494 3.071 1.00 . A A . 21 DTR CD2 1 1
10 2753 1 1 21 DTR CE2 C 4.232 7.714 3.810 1.00 . A A . 21 DTR CE2 1 1
10 2754 1 1 21 DTR CE3 C 4.704 9.703 2.525 1.00 . A A . 21 DTR CE3 1 1
10 2755 1 1 21 DTR CG C 6.393 7.796 3.064 1.00 . A A . 21 DTR CG 1 1
10 2756 1 1 21 DTR CH2 C 2.510 9.294 3.470 1.00 . A A . 21 DTR CH2 1 1
10 2757 1 1 21 DTR CZ2 C 2.911 8.105 4.016 1.00 . A A . 21 DTR CZ2 1 1
10 2758 1 1 21 DTR CZ3 C 3.393 10.090 2.730 1.00 . A A . 21 DTR CZ3 1 1
10 2759 1 1 21 DTR H H 7.869 5.562 0.394 1.00 . A A . 21 DTR H 1 1
10 2760 1 1 21 DTR HA H 8.795 8.015 0.589 1.00 . A A . 21 DTR HA 1 1
10 2761 1 1 21 DTR HB2 H 8.483 8.016 3.059 1.00 . A A . 21 DTR HB2 1 1
10 2762 1 1 21 DTR HB3 H 7.606 9.312 2.264 1.00 . A A . 21 DTR HB3 1 1
10 2763 1 1 21 DTR HD1 H 6.955 5.905 3.961 1.00 . A A . 21 DTR HD1 1 1
10 2764 1 1 21 DTR HE1 H 4.514 5.870 4.770 1.00 . A A . 21 DTR HE1 1 1
10 2765 1 1 21 DTR HE3 H 5.370 10.330 1.951 1.00 . A A . 21 DTR HE3 1 1
10 2766 1 1 21 DTR HH2 H 1.495 9.636 3.604 1.00 . A A . 21 DTR HH2 1 1
10 2767 1 1 21 DTR HZ2 H 2.219 7.503 4.584 1.00 . A A . 21 DTR HZ2 1 1
10 2768 1 1 21 DTR HZ3 H 3.037 11.022 2.315 1.00 . A A . 21 DTR HZ3 1 1
10 2769 1 1 21 DTR N N 8.128 6.133 1.146 1.00 . A A . 21 DTR N 1 1
10 2770 1 1 21 DTR NE1 N 4.899 6.594 4.233 1.00 . A A . 21 DTR NE1 1 1
11 2771 1 1 1 CYS C C -5.957 0.059 1.702 1.00 . A A . 1 CYS C 1 1
11 2772 1 1 1 CYS CA C -5.352 -0.987 2.635 1.00 . A A . 1 CYS CA 1 1
11 2773 1 1 1 CYS CB C -6.230 -1.140 3.880 1.00 . A A . 1 CYS CB 1 1
11 2774 1 1 1 CYS H1 H -3.816 0.342 2.991 1.00 . A A . 1 CYS H1 1 1
11 2775 1 1 1 CYS HA H -5.307 -1.932 2.118 1.00 . A A . 1 CYS HA 1 1
11 2776 1 1 1 CYS HB2 H -5.643 -0.903 4.755 1.00 . A A . 1 CYS HB2 1 1
11 2777 1 1 1 CYS HB3 H -7.060 -0.451 3.814 1.00 . A A . 1 CYS HB3 1 1
11 2778 1 1 1 CYS N N -3.991 -0.622 3.019 1.00 . A A . 1 CYS N 1 1
11 2779 1 1 1 CYS O O -6.559 1.033 2.155 1.00 . A A . 1 CYS O 1 1
11 2780 1 1 1 CYS SG S -6.915 -2.811 4.113 1.00 . A A . 1 CYS SG 1 1
11 2781 1 1 2 LEU C C -6.680 0.059 -1.887 1.00 . A A . 2 LEU C 1 1
11 2782 1 1 2 LEU CA C -6.330 0.781 -0.593 1.00 . A A . 2 LEU CA 1 1
11 2783 1 1 2 LEU CB C -5.322 1.899 -0.870 1.00 . A A . 2 LEU CB 1 1
11 2784 1 1 2 LEU CD1 C -3.908 3.775 0.003 1.00 . A A . 2 LEU CD1 1 1
11 2785 1 1 2 LEU CD2 C -6.329 3.654 0.612 1.00 . A A . 2 LEU CD2 1 1
11 2786 1 1 2 LEU CG C -5.075 2.850 0.303 1.00 . A A . 2 LEU CG 1 1
11 2787 1 1 2 LEU H H -5.308 -0.941 0.097 1.00 . A A . 2 LEU H 1 1
11 2788 1 1 2 LEU HA H -7.228 1.216 -0.191 1.00 . A A . 2 LEU HA 1 1
11 2789 1 1 2 LEU HB2 H -4.381 1.446 -1.145 1.00 . A A . 2 LEU HB2 1 1
11 2790 1 1 2 LEU HB3 H -5.681 2.480 -1.706 1.00 . A A . 2 LEU HB3 1 1
11 2791 1 1 2 LEU HD11 H -3.679 4.362 0.880 1.00 . A A . 2 LEU HD11 1 1
11 2792 1 1 2 LEU HD12 H -4.170 4.434 -0.813 1.00 . A A . 2 LEU HD12 1 1
11 2793 1 1 2 LEU HD13 H -3.046 3.188 -0.272 1.00 . A A . 2 LEU HD13 1 1
11 2794 1 1 2 LEU HD21 H -7.189 3.161 0.183 1.00 . A A . 2 LEU HD21 1 1
11 2795 1 1 2 LEU HD22 H -6.235 4.644 0.189 1.00 . A A . 2 LEU HD22 1 1
11 2796 1 1 2 LEU HD23 H -6.454 3.730 1.682 1.00 . A A . 2 LEU HD23 1 1
11 2797 1 1 2 LEU HG H -4.824 2.271 1.179 1.00 . A A . 2 LEU HG 1 1
11 2798 1 1 2 LEU N N -5.796 -0.147 0.399 1.00 . A A . 2 LEU N 1 1
11 2799 1 1 2 LEU O O -6.291 -1.089 -2.095 1.00 . A A . 2 LEU O 1 1
11 2800 1 1 3 GLY C C -6.791 0.438 -5.121 1.00 . A A . 3 GLY C 1 1
11 2801 1 1 3 GLY CA C -7.801 0.157 -4.026 1.00 . A A . 3 GLY CA 1 1
11 2802 1 1 3 GLY H H -7.692 1.658 -2.538 1.00 . A A . 3 GLY H 1 1
11 2803 1 1 3 GLY HA2 H -7.895 -0.912 -3.902 1.00 . A A . 3 GLY HA2 1 1
11 2804 1 1 3 GLY HA3 H -8.758 0.561 -4.321 1.00 . A A . 3 GLY HA3 1 1
11 2805 1 1 3 GLY N N -7.414 0.745 -2.757 1.00 . A A . 3 GLY N 1 1
11 2806 1 1 3 GLY O O -7.123 0.403 -6.306 1.00 . A A . 3 GLY O 1 1
11 2807 1 1 4 VAL C C -3.762 -0.270 -6.090 1.00 . A A . 4 VAL C 1 1
11 2808 1 1 4 VAL CA C -4.491 1.014 -5.677 1.00 . A A . 4 VAL CA 1 1
11 2809 1 1 4 VAL CB C -3.500 2.048 -5.091 1.00 . A A . 4 VAL CB 1 1
11 2810 1 1 4 VAL CG1 C -2.453 1.388 -4.201 1.00 . A A . 4 VAL CG1 1 1
11 2811 1 1 4 VAL CG2 C -2.844 2.861 -6.201 1.00 . A A . 4 VAL CG2 1 1
11 2812 1 1 4 VAL H H -5.352 0.738 -3.762 1.00 . A A . 4 VAL H 1 1
11 2813 1 1 4 VAL HA H -4.949 1.447 -6.555 1.00 . A A . 4 VAL HA 1 1
11 2814 1 1 4 VAL HB H -4.065 2.729 -4.477 1.00 . A A . 4 VAL HB 1 1
11 2815 1 1 4 VAL HG11 H -2.735 0.364 -4.006 1.00 . A A . 4 VAL HG11 1 1
11 2816 1 1 4 VAL HG12 H -2.387 1.925 -3.268 1.00 . A A . 4 VAL HG12 1 1
11 2817 1 1 4 VAL HG13 H -1.494 1.410 -4.696 1.00 . A A . 4 VAL HG13 1 1
11 2818 1 1 4 VAL HG21 H -3.281 2.592 -7.151 1.00 . A A . 4 VAL HG21 1 1
11 2819 1 1 4 VAL HG22 H -1.784 2.655 -6.221 1.00 . A A . 4 VAL HG22 1 1
11 2820 1 1 4 VAL HG23 H -3.002 3.913 -6.017 1.00 . A A . 4 VAL HG23 1 1
11 2821 1 1 4 VAL N N -5.554 0.722 -4.723 1.00 . A A . 4 VAL N 1 1
11 2822 1 1 4 VAL O O -4.305 -1.365 -5.950 1.00 . A A . 4 VAL O 1 1
11 2823 1 1 5 GLY C C -0.304 -1.047 -7.188 1.00 . A A . 5 GLY C 1 1
11 2824 1 1 5 GLY CA C -1.791 -1.309 -7.024 1.00 . A A . 5 GLY CA 1 1
11 2825 1 1 5 GLY H H -2.149 0.753 -6.700 1.00 . A A . 5 GLY H 1 1
11 2826 1 1 5 GLY HA2 H -1.925 -2.087 -6.287 1.00 . A A . 5 GLY HA2 1 1
11 2827 1 1 5 GLY HA3 H -2.189 -1.653 -7.967 1.00 . A A . 5 GLY HA3 1 1
11 2828 1 1 5 GLY N N -2.540 -0.137 -6.604 1.00 . A A . 5 GLY N 1 1
11 2829 1 1 5 GLY O O 0.365 -1.726 -7.968 1.00 . A A . 5 GLY O 1 1
11 2830 1 1 6 SER C C 2.415 -0.507 -5.452 1.00 . A A . 6 SER C 1 1
11 2831 1 1 6 SER CA C 1.640 0.256 -6.521 1.00 . A A . 6 SER CA 1 1
11 2832 1 1 6 SER CB C 1.849 1.761 -6.346 1.00 . A A . 6 SER CB 1 1
11 2833 1 1 6 SER H H -0.358 0.430 -5.841 1.00 . A A . 6 SER H 1 1
11 2834 1 1 6 SER HA H 2.002 -0.041 -7.494 1.00 . A A . 6 SER HA 1 1
11 2835 1 1 6 SER HB2 H 2.870 1.948 -6.049 1.00 . A A . 6 SER HB2 1 1
11 2836 1 1 6 SER HB3 H 1.648 2.261 -7.281 1.00 . A A . 6 SER HB3 1 1
11 2837 1 1 6 SER HG H 1.042 1.745 -4.560 1.00 . A A . 6 SER HG 1 1
11 2838 1 1 6 SER N N 0.219 -0.073 -6.451 1.00 . A A . 6 SER N 1 1
11 2839 1 1 6 SER O O 3.542 -0.948 -5.676 1.00 . A A . 6 SER O 1 1
11 2840 1 1 6 SER OG O 0.983 2.284 -5.353 1.00 . A A . 6 SER OG 1 1
11 2841 1 1 7 CYS C C 1.306 -2.028 -2.328 1.00 . A A . 7 CYS C 1 1
11 2842 1 1 7 CYS CA C 2.395 -1.375 -3.172 1.00 . A A . 7 CYS CA 1 1
11 2843 1 1 7 CYS CB C 3.229 -0.412 -2.319 1.00 . A A . 7 CYS CB 1 1
11 2844 1 1 7 CYS H H 0.891 -0.289 -4.184 1.00 . A A . 7 CYS H 1 1
11 2845 1 1 7 CYS HA H 3.038 -2.145 -3.572 1.00 . A A . 7 CYS HA 1 1
11 2846 1 1 7 CYS HB2 H 3.066 0.597 -2.668 1.00 . A A . 7 CYS HB2 1 1
11 2847 1 1 7 CYS HB3 H 2.913 -0.485 -1.289 1.00 . A A . 7 CYS HB3 1 1
11 2848 1 1 7 CYS N N 1.791 -0.662 -4.291 1.00 . A A . 7 CYS N 1 1
11 2849 1 1 7 CYS O O 0.165 -2.151 -2.772 1.00 . A A . 7 CYS O 1 1
11 2850 1 1 7 CYS SG S 5.023 -0.731 -2.374 1.00 . A A . 7 CYS SG 1 1
11 2851 1 1 8 VAL C C 0.747 -2.493 1.175 1.00 . A A . 8 VAL C 1 1
11 2852 1 1 8 VAL CA C 0.673 -3.066 -0.229 1.00 . A A . 8 VAL CA 1 1
11 2853 1 1 8 VAL CB C 0.870 -4.586 -0.128 1.00 . A A . 8 VAL CB 1 1
11 2854 1 1 8 VAL CG1 C -0.331 -5.246 0.535 1.00 . A A . 8 VAL CG1 1 1
11 2855 1 1 8 VAL CG2 C 1.138 -5.193 -1.496 1.00 . A A . 8 VAL CG2 1 1
11 2856 1 1 8 VAL H H 2.570 -2.315 -0.802 1.00 . A A . 8 VAL H 1 1
11 2857 1 1 8 VAL HA H -0.311 -2.879 -0.633 1.00 . A A . 8 VAL HA 1 1
11 2858 1 1 8 VAL HB H 1.725 -4.762 0.497 1.00 . A A . 8 VAL HB 1 1
11 2859 1 1 8 VAL HG11 H -0.033 -5.662 1.486 1.00 . A A . 8 VAL HG11 1 1
11 2860 1 1 8 VAL HG12 H -0.707 -6.035 -0.100 1.00 . A A . 8 VAL HG12 1 1
11 2861 1 1 8 VAL HG13 H -1.106 -4.512 0.692 1.00 . A A . 8 VAL HG13 1 1
11 2862 1 1 8 VAL HG21 H 2.203 -5.250 -1.662 1.00 . A A . 8 VAL HG21 1 1
11 2863 1 1 8 VAL HG22 H 0.686 -4.576 -2.258 1.00 . A A . 8 VAL HG22 1 1
11 2864 1 1 8 VAL HG23 H 0.714 -6.186 -1.538 1.00 . A A . 8 VAL HG23 1 1
11 2865 1 1 8 VAL N N 1.649 -2.439 -1.113 1.00 . A A . 8 VAL N 1 1
11 2866 1 1 8 VAL O O 1.814 -2.108 1.652 1.00 . A A . 8 VAL O 1 1
11 2867 1 1 9 ASP C C -0.662 -3.108 4.191 1.00 . A A . 9 ASP C 1 1
11 2868 1 1 9 ASP CA C -0.482 -1.958 3.203 1.00 . A A . 9 ASP CA 1 1
11 2869 1 1 9 ASP CB C -1.620 -0.940 3.359 1.00 . A A . 9 ASP CB 1 1
11 2870 1 1 9 ASP CG C -2.970 -1.472 2.914 1.00 . A A . 9 ASP CG 1 1
11 2871 1 1 9 ASP H H -1.202 -2.799 1.390 1.00 . A A . 9 ASP H 1 1
11 2872 1 1 9 ASP HA H 0.455 -1.465 3.423 1.00 . A A . 9 ASP HA 1 1
11 2873 1 1 9 ASP HB2 H -1.697 -0.659 4.398 1.00 . A A . 9 ASP HB2 1 1
11 2874 1 1 9 ASP HB3 H -1.391 -0.062 2.775 1.00 . A A . 9 ASP HB3 1 1
11 2875 1 1 9 ASP N N -0.398 -2.461 1.834 1.00 . A A . 9 ASP N 1 1
11 2876 1 1 9 ASP O O -0.473 -2.939 5.396 1.00 . A A . 9 ASP O 1 1
11 2877 1 1 9 ASP OD1 O -3.092 -2.621 2.489 1.00 . A A . 9 ASP OD1 1 1
11 2878 1 1 10 PHE C C -2.191 -5.197 5.638 1.00 . A A . 10 PHE C 1 1
11 2879 1 1 10 PHE CA C -1.210 -5.466 4.502 1.00 . A A . 10 PHE CA 1 1
11 2880 1 1 10 PHE CB C 0.130 -5.935 5.072 1.00 . A A . 10 PHE CB 1 1
11 2881 1 1 10 PHE CD1 C 1.325 -7.131 3.219 1.00 . A A . 10 PHE CD1 1 1
11 2882 1 1 10 PHE CD2 C 2.142 -4.998 3.902 1.00 . A A . 10 PHE CD2 1 1
11 2883 1 1 10 PHE CE1 C 2.327 -7.215 2.271 1.00 . A A . 10 PHE CE1 1 1
11 2884 1 1 10 PHE CE2 C 3.146 -5.076 2.956 1.00 . A A . 10 PHE CE2 1 1
11 2885 1 1 10 PHE CG C 1.221 -6.023 4.044 1.00 . A A . 10 PHE CG 1 1
11 2886 1 1 10 PHE CZ C 3.239 -6.186 2.140 1.00 . A A . 10 PHE CZ 1 1
11 2887 1 1 10 PHE H H -1.145 -4.357 2.704 1.00 . A A . 10 PHE H 1 1
11 2888 1 1 10 PHE HA H -1.613 -6.247 3.875 1.00 . A A . 10 PHE HA 1 1
11 2889 1 1 10 PHE HB2 H 0.450 -5.243 5.837 1.00 . A A . 10 PHE HB2 1 1
11 2890 1 1 10 PHE HB3 H 0.004 -6.914 5.510 1.00 . A A . 10 PHE HB3 1 1
11 2891 1 1 10 PHE HD1 H 0.612 -7.936 3.321 1.00 . A A . 10 PHE HD1 1 1
11 2892 1 1 10 PHE HD2 H 2.070 -4.129 4.540 1.00 . A A . 10 PHE HD2 1 1
11 2893 1 1 10 PHE HE1 H 2.397 -8.085 1.634 1.00 . A A . 10 PHE HE1 1 1
11 2894 1 1 10 PHE HE2 H 3.858 -4.270 2.856 1.00 . A A . 10 PHE HE2 1 1
11 2895 1 1 10 PHE HZ H 4.023 -6.250 1.400 1.00 . A A . 10 PHE HZ 1 1
11 2896 1 1 10 PHE N N -1.017 -4.283 3.672 1.00 . A A . 10 PHE N 1 1
11 2897 1 1 10 PHE O O -2.022 -5.702 6.747 1.00 . A A . 10 PHE O 1 1
11 2898 1 1 11 ALA C C -5.527 -4.818 6.100 1.00 . A A . 11 ALA C 1 1
11 2899 1 1 11 ALA CA C -4.221 -4.082 6.364 1.00 . A A . 11 ALA CA 1 1
11 2900 1 1 11 ALA CB C -4.456 -2.580 6.424 1.00 . A A . 11 ALA CB 1 1
11 2901 1 1 11 ALA H H -3.307 -4.031 4.454 1.00 . A A . 11 ALA H 1 1
11 2902 1 1 11 ALA HA H -3.838 -4.402 7.317 1.00 . A A . 11 ALA HA 1 1
11 2903 1 1 11 ALA HB1 H -5.493 -2.387 6.655 1.00 . A A . 11 ALA HB1 1 1
11 2904 1 1 11 ALA HB2 H -4.212 -2.139 5.469 1.00 . A A . 11 ALA HB2 1 1
11 2905 1 1 11 ALA HB3 H -3.830 -2.148 7.191 1.00 . A A . 11 ALA HB3 1 1
11 2906 1 1 11 ALA N N -3.219 -4.403 5.356 1.00 . A A . 11 ALA N 1 1
11 2907 1 1 11 ALA O O -6.593 -4.396 6.548 1.00 . A A . 11 ALA O 1 1
11 2908 1 1 12 GLY C C -7.074 -6.558 3.628 1.00 . A A . 12 GLY C 1 1
11 2909 1 1 12 GLY CA C -6.618 -6.709 5.068 1.00 . A A . 12 GLY CA 1 1
11 2910 1 1 12 GLY H H -4.554 -6.210 5.049 1.00 . A A . 12 GLY H 1 1
11 2911 1 1 12 GLY HA2 H -6.402 -7.750 5.256 1.00 . A A . 12 GLY HA2 1 1
11 2912 1 1 12 GLY HA3 H -7.420 -6.397 5.721 1.00 . A A . 12 GLY HA3 1 1
11 2913 1 1 12 GLY N N -5.434 -5.923 5.374 1.00 . A A . 12 GLY N 1 1
11 2914 1 1 12 GLY O O -7.929 -7.311 3.162 1.00 . A A . 12 GLY O 1 1
11 2915 1 1 13 CYS C C -5.739 -5.846 0.611 1.00 . A A . 13 CYS C 1 1
11 2916 1 1 13 CYS CA C -6.855 -5.358 1.524 1.00 . A A . 13 CYS CA 1 1
11 2917 1 1 13 CYS CB C -7.120 -3.871 1.271 1.00 . A A . 13 CYS CB 1 1
11 2918 1 1 13 CYS H H -5.821 -5.027 3.338 1.00 . A A . 13 CYS H 1 1
11 2919 1 1 13 CYS HA H -7.753 -5.919 1.309 1.00 . A A . 13 CYS HA 1 1
11 2920 1 1 13 CYS HB2 H -6.178 -3.348 1.241 1.00 . A A . 13 CYS HB2 1 1
11 2921 1 1 13 CYS HB3 H -7.615 -3.761 0.317 1.00 . A A . 13 CYS HB3 1 1
11 2922 1 1 13 CYS N N -6.502 -5.590 2.919 1.00 . A A . 13 CYS N 1 1
11 2923 1 1 13 CYS O O -5.991 -6.394 -0.462 1.00 . A A . 13 CYS O 1 1
11 2924 1 1 13 CYS SG S -8.162 -3.065 2.531 1.00 . A A . 13 CYS SG 1 1
11 2925 1 1 14 GLY C C -2.971 -5.071 -0.794 1.00 . A A . 14 GLY C 1 1
11 2926 1 1 14 GLY CA C -3.360 -6.073 0.274 1.00 . A A . 14 GLY CA 1 1
11 2927 1 1 14 GLY H H -4.366 -5.206 1.918 1.00 . A A . 14 GLY H 1 1
11 2928 1 1 14 GLY HA2 H -2.522 -6.219 0.938 1.00 . A A . 14 GLY HA2 1 1
11 2929 1 1 14 GLY HA3 H -3.595 -7.014 -0.201 1.00 . A A . 14 GLY HA3 1 1
11 2930 1 1 14 GLY N N -4.502 -5.645 1.052 1.00 . A A . 14 GLY N 1 1
11 2931 1 1 14 GLY O O -2.428 -5.447 -1.833 1.00 . A A . 14 GLY O 1 1
11 2932 1 1 15 TYR C C -2.619 -1.412 -0.843 1.00 . A A . 15 TYR C 1 1
11 2933 1 1 15 TYR CA C -2.911 -2.754 -1.514 1.00 . A A . 15 TYR CA 1 1
11 2934 1 1 15 TYR CB C -4.043 -2.597 -2.531 1.00 . A A . 15 TYR CB 1 1
11 2935 1 1 15 TYR CD1 C -4.960 -4.179 -4.273 1.00 . A A . 15 TYR CD1 1 1
11 2936 1 1 15 TYR CD2 C -2.655 -3.584 -4.397 1.00 . A A . 15 TYR CD2 1 1
11 2937 1 1 15 TYR CE1 C -4.818 -4.978 -5.391 1.00 . A A . 15 TYR CE1 1 1
11 2938 1 1 15 TYR CE2 C -2.506 -4.381 -5.516 1.00 . A A . 15 TYR CE2 1 1
11 2939 1 1 15 TYR CG C -3.883 -3.469 -3.757 1.00 . A A . 15 TYR CG 1 1
11 2940 1 1 15 TYR CZ C -3.590 -5.075 -6.009 1.00 . A A . 15 TYR CZ 1 1
11 2941 1 1 15 TYR H H -3.680 -3.545 0.296 1.00 . A A . 15 TYR H 1 1
11 2942 1 1 15 TYR HA H -2.022 -3.074 -2.034 1.00 . A A . 15 TYR HA 1 1
11 2943 1 1 15 TYR HB2 H -4.978 -2.858 -2.060 1.00 . A A . 15 TYR HB2 1 1
11 2944 1 1 15 TYR HB3 H -4.085 -1.568 -2.858 1.00 . A A . 15 TYR HB3 1 1
11 2945 1 1 15 TYR HD1 H -5.922 -4.101 -3.787 1.00 . A A . 15 TYR HD1 1 1
11 2946 1 1 15 TYR HD2 H -1.807 -3.039 -4.008 1.00 . A A . 15 TYR HD2 1 1
11 2947 1 1 15 TYR HE1 H -5.668 -5.522 -5.777 1.00 . A A . 15 TYR HE1 1 1
11 2948 1 1 15 TYR HE2 H -1.543 -4.457 -5.999 1.00 . A A . 15 TYR HE2 1 1
11 2949 1 1 15 TYR HH H -3.533 -6.792 -6.872 1.00 . A A . 15 TYR HH 1 1
11 2950 1 1 15 TYR N N -3.246 -3.792 -0.547 1.00 . A A . 15 TYR N 1 1
11 2951 1 1 15 TYR O O -3.411 -0.911 -0.047 1.00 . A A . 15 TYR O 1 1
11 2952 1 1 15 TYR OH O -3.444 -5.870 -7.123 1.00 . A A . 15 TYR OH 1 1
11 2953 1 1 16 ALA C C -0.504 1.345 -1.765 1.00 . A A . 16 ALA C 1 1
11 2954 1 1 16 ALA CA C -1.043 0.452 -0.658 1.00 . A A . 16 ALA CA 1 1
11 2955 1 1 16 ALA CB C 0.020 0.260 0.411 1.00 . A A . 16 ALA CB 1 1
11 2956 1 1 16 ALA H H -0.898 -1.296 -1.833 1.00 . A A . 16 ALA H 1 1
11 2957 1 1 16 ALA HA H -1.891 0.937 -0.204 1.00 . A A . 16 ALA HA 1 1
11 2958 1 1 16 ALA HB1 H 0.847 -0.299 -0.001 1.00 . A A . 16 ALA HB1 1 1
11 2959 1 1 16 ALA HB2 H -0.401 -0.281 1.242 1.00 . A A . 16 ALA HB2 1 1
11 2960 1 1 16 ALA HB3 H 0.370 1.224 0.748 1.00 . A A . 16 ALA HB3 1 1
11 2961 1 1 16 ALA N N -1.472 -0.838 -1.192 1.00 . A A . 16 ALA N 1 1
11 2962 1 1 16 ALA O O 0.132 0.871 -2.706 1.00 . A A . 16 ALA O 1 1
11 2963 1 1 17 VAL C C 1.131 4.087 -2.223 1.00 . A A . 17 VAL C 1 1
11 2964 1 1 17 VAL CA C -0.261 3.605 -2.612 1.00 . A A . 17 VAL CA 1 1
11 2965 1 1 17 VAL CB C -1.195 4.826 -2.724 1.00 . A A . 17 VAL CB 1 1
11 2966 1 1 17 VAL CG1 C -0.783 5.711 -3.892 1.00 . A A . 17 VAL CG1 1 1
11 2967 1 1 17 VAL CG2 C -2.644 4.384 -2.865 1.00 . A A . 17 VAL CG2 1 1
11 2968 1 1 17 VAL H H -1.241 2.962 -0.854 1.00 . A A . 17 VAL H 1 1
11 2969 1 1 17 VAL HA H -0.213 3.115 -3.575 1.00 . A A . 17 VAL HA 1 1
11 2970 1 1 17 VAL HB H -1.106 5.405 -1.816 1.00 . A A . 17 VAL HB 1 1
11 2971 1 1 17 VAL HG11 H -1.606 5.800 -4.586 1.00 . A A . 17 VAL HG11 1 1
11 2972 1 1 17 VAL HG12 H 0.066 5.273 -4.396 1.00 . A A . 17 VAL HG12 1 1
11 2973 1 1 17 VAL HG13 H -0.516 6.691 -3.524 1.00 . A A . 17 VAL HG13 1 1
11 2974 1 1 17 VAL HG21 H -3.297 5.195 -2.578 1.00 . A A . 17 VAL HG21 1 1
11 2975 1 1 17 VAL HG22 H -2.825 3.532 -2.226 1.00 . A A . 17 VAL HG22 1 1
11 2976 1 1 17 VAL HG23 H -2.837 4.112 -3.891 1.00 . A A . 17 VAL HG23 1 1
11 2977 1 1 17 VAL N N -0.744 2.643 -1.634 1.00 . A A . 17 VAL N 1 1
11 2978 1 1 17 VAL O O 1.725 4.923 -2.904 1.00 . A A . 17 VAL O 1 1
11 2979 1 1 18 VAL C C 3.626 2.757 0.103 1.00 . A A . 18 VAL C 1 1
11 2980 1 1 18 VAL CA C 2.969 3.919 -0.632 1.00 . A A . 18 VAL CA 1 1
11 2981 1 1 18 VAL CB C 2.906 5.136 0.311 1.00 . A A . 18 VAL CB 1 1
11 2982 1 1 18 VAL CG1 C 4.296 5.710 0.535 1.00 . A A . 18 VAL CG1 1 1
11 2983 1 1 18 VAL CG2 C 1.966 6.197 -0.242 1.00 . A A . 18 VAL CG2 1 1
11 2984 1 1 18 VAL H H 1.118 2.883 -0.617 1.00 . A A . 18 VAL H 1 1
11 2985 1 1 18 VAL HA H 3.576 4.182 -1.486 1.00 . A A . 18 VAL HA 1 1
11 2986 1 1 18 VAL HB H 2.521 4.806 1.265 1.00 . A A . 18 VAL HB 1 1
11 2987 1 1 18 VAL HG11 H 4.800 5.144 1.305 1.00 . A A . 18 VAL HG11 1 1
11 2988 1 1 18 VAL HG12 H 4.214 6.742 0.843 1.00 . A A . 18 VAL HG12 1 1
11 2989 1 1 18 VAL HG13 H 4.862 5.652 -0.383 1.00 . A A . 18 VAL HG13 1 1
11 2990 1 1 18 VAL HG21 H 0.986 5.769 -0.388 1.00 . A A . 18 VAL HG21 1 1
11 2991 1 1 18 VAL HG22 H 2.346 6.557 -1.187 1.00 . A A . 18 VAL HG22 1 1
11 2992 1 1 18 VAL HG23 H 1.900 7.019 0.456 1.00 . A A . 18 VAL HG23 1 1
11 2993 1 1 18 VAL N N 1.645 3.549 -1.118 1.00 . A A . 18 VAL N 1 1
11 2994 1 1 18 VAL O O 2.948 1.851 0.586 1.00 . A A . 18 VAL O 1 1
11 2995 1 1 19 CYS C C 6.731 2.337 1.814 1.00 . A A . 19 CYS C 1 1
11 2996 1 1 19 CYS CA C 5.703 1.740 0.859 1.00 . A A . 19 CYS CA 1 1
11 2997 1 1 19 CYS CB C 6.396 0.838 -0.166 1.00 . A A . 19 CYS CB 1 1
11 2998 1 1 19 CYS H H 5.434 3.539 -0.223 1.00 . A A . 19 CYS H 1 1
11 2999 1 1 19 CYS HA H 5.005 1.150 1.429 1.00 . A A . 19 CYS HA 1 1
11 3000 1 1 19 CYS HB2 H 6.426 1.345 -1.118 1.00 . A A . 19 CYS HB2 1 1
11 3001 1 1 19 CYS HB3 H 7.407 0.640 0.162 1.00 . A A . 19 CYS HB3 1 1
11 3002 1 1 19 CYS N N 4.951 2.790 0.183 1.00 . A A . 19 CYS N 1 1
11 3003 1 1 19 CYS O O 6.886 1.877 2.946 1.00 . A A . 19 CYS O 1 1
11 3004 1 1 19 CYS SG S 5.571 -0.767 -0.420 1.00 . A A . 19 CYS SG 1 1
11 3005 1 1 20 PHE C C 8.090 5.504 2.361 1.00 . A A . 20 PHE C 1 1
11 3006 1 1 20 PHE CA C 8.443 4.035 2.158 1.00 . A A . 20 PHE CA 1 1
11 3007 1 1 20 PHE CB C 9.823 3.914 1.502 1.00 . A A . 20 PHE CB 1 1
11 3008 1 1 20 PHE CD1 C 9.508 2.661 -0.650 1.00 . A A . 20 PHE CD1 1 1
11 3009 1 1 20 PHE CD2 C 10.005 4.990 -0.759 1.00 . A A . 20 PHE CD2 1 1
11 3010 1 1 20 PHE CE1 C 9.464 2.601 -2.029 1.00 . A A . 20 PHE CE1 1 1
11 3011 1 1 20 PHE CE2 C 9.963 4.937 -2.140 1.00 . A A . 20 PHE CE2 1 1
11 3012 1 1 20 PHE CG C 9.778 3.854 0.000 1.00 . A A . 20 PHE CG 1 1
11 3013 1 1 20 PHE CZ C 9.692 3.741 -2.776 1.00 . A A . 20 PHE CZ 1 1
11 3014 1 1 20 PHE H H 7.257 3.685 0.441 1.00 . A A . 20 PHE H 1 1
11 3015 1 1 20 PHE HA H 8.470 3.549 3.122 1.00 . A A . 20 PHE HA 1 1
11 3016 1 1 20 PHE HB2 H 10.421 4.769 1.781 1.00 . A A . 20 PHE HB2 1 1
11 3017 1 1 20 PHE HB3 H 10.304 3.015 1.857 1.00 . A A . 20 PHE HB3 1 1
11 3018 1 1 20 PHE HD1 H 9.329 1.769 -0.067 1.00 . A A . 20 PHE HD1 1 1
11 3019 1 1 20 PHE HD2 H 10.217 5.926 -0.263 1.00 . A A . 20 PHE HD2 1 1
11 3020 1 1 20 PHE HE1 H 9.253 1.665 -2.524 1.00 . A A . 20 PHE HE1 1 1
11 3021 1 1 20 PHE HE2 H 10.142 5.830 -2.721 1.00 . A A . 20 PHE HE2 1 1
11 3022 1 1 20 PHE HZ H 9.659 3.697 -3.854 1.00 . A A . 20 PHE HZ 1 1
11 3023 1 1 20 PHE N N 7.429 3.366 1.350 1.00 . A A . 20 PHE N 1 1
11 3024 1 1 20 PHE O O 8.492 6.358 1.571 1.00 . A A . 20 PHE O 1 1
11 3025 1 1 21 DTR C C 6.701 7.272 5.276 1.00 . A A . 21 DTR C 1 1
11 3026 1 1 21 DTR CA C 6.892 7.140 3.769 1.00 . A A . 21 DTR CA 1 1
11 3027 1 1 21 DTR CB C 7.897 8.200 3.297 1.00 . A A . 21 DTR CB 1 1
11 3028 1 1 21 DTR CD1 C 9.739 7.050 4.660 1.00 . A A . 21 DTR CD1 1 1
11 3029 1 1 21 DTR CD2 C 10.497 8.411 3.052 1.00 . A A . 21 DTR CD2 1 1
11 3030 1 1 21 DTR CE2 C 11.601 7.847 3.720 1.00 . A A . 21 DTR CE2 1 1
11 3031 1 1 21 DTR CE3 C 10.730 9.301 1.999 1.00 . A A . 21 DTR CE3 1 1
11 3032 1 1 21 DTR CG C 9.315 7.887 3.668 1.00 . A A . 21 DTR CG 1 1
11 3033 1 1 21 DTR CH2 C 13.113 9.019 2.335 1.00 . A A . 21 DTR CH2 1 1
11 3034 1 1 21 DTR CZ2 C 12.915 8.145 3.369 1.00 . A A . 21 DTR CZ2 1 1
11 3035 1 1 21 DTR CZ3 C 12.035 9.596 1.652 1.00 . A A . 21 DTR CZ3 1 1
11 3036 1 1 21 DTR H H 7.047 5.040 4.001 1.00 . A A . 21 DTR H 1 1
11 3037 1 1 21 DTR HA H 5.943 7.314 3.283 1.00 . A A . 21 DTR HA 1 1
11 3038 1 1 21 DTR HB2 H 7.843 8.287 2.223 1.00 . A A . 21 DTR HB2 1 1
11 3039 1 1 21 DTR HB3 H 7.638 9.150 3.742 1.00 . A A . 21 DTR HB3 1 1
11 3040 1 1 21 DTR HD1 H 9.079 6.497 5.312 1.00 . A A . 21 DTR HD1 1 1
11 3041 1 1 21 DTR HE1 H 11.653 6.492 5.321 1.00 . A A . 21 DTR HE1 1 1
11 3042 1 1 21 DTR HE3 H 9.911 9.755 1.461 1.00 . A A . 21 DTR HE3 1 1
11 3043 1 1 21 DTR HH2 H 14.116 9.279 2.030 1.00 . A A . 21 DTR HH2 1 1
11 3044 1 1 21 DTR HZ2 H 13.757 7.708 3.885 1.00 . A A . 21 DTR HZ2 1 1
11 3045 1 1 21 DTR HZ3 H 12.233 10.281 0.842 1.00 . A A . 21 DTR HZ3 1 1
11 3046 1 1 21 DTR N N 7.328 5.780 3.424 1.00 . A A . 21 DTR N 1 1
11 3047 1 1 21 DTR NE1 N 11.112 7.020 4.697 1.00 . A A . 21 DTR NE1 1 1
12 3048 1 1 1 CYS C C -5.943 0.073 1.706 1.00 . A A . 1 CYS C 1 1
12 3049 1 1 1 CYS CA C -5.386 -1.020 2.618 1.00 . A A . 1 CYS CA 1 1
12 3050 1 1 1 CYS CB C -6.305 -1.194 3.832 1.00 . A A . 1 CYS CB 1 1
12 3051 1 1 1 CYS H1 H -3.837 0.258 2.992 1.00 . A A . 1 CYS H1 1 1
12 3052 1 1 1 CYS HA H -5.348 -1.948 2.070 1.00 . A A . 1 CYS HA 1 1
12 3053 1 1 1 CYS HB2 H -5.771 -0.895 4.721 1.00 . A A . 1 CYS HB2 1 1
12 3054 1 1 1 CYS HB3 H -7.173 -0.562 3.712 1.00 . A A . 1 CYS HB3 1 1
12 3055 1 1 1 CYS N N -4.028 -0.701 3.056 1.00 . A A . 1 CYS N 1 1
12 3056 1 1 1 CYS O O -6.484 1.071 2.181 1.00 . A A . 1 CYS O 1 1
12 3057 1 1 1 CYS SG S -6.892 -2.899 4.090 1.00 . A A . 1 CYS SG 1 1
12 3058 1 1 2 LEU C C -6.705 0.181 -1.875 1.00 . A A . 2 LEU C 1 1
12 3059 1 1 2 LEU CA C -6.299 0.855 -0.571 1.00 . A A . 2 LEU CA 1 1
12 3060 1 1 2 LEU CB C -5.234 1.918 -0.839 1.00 . A A . 2 LEU CB 1 1
12 3061 1 1 2 LEU CD1 C -3.613 3.570 0.121 1.00 . A A . 2 LEU CD1 1 1
12 3062 1 1 2 LEU CD2 C -6.060 3.817 0.575 1.00 . A A . 2 LEU CD2 1 1
12 3063 1 1 2 LEU CG C -4.922 2.832 0.347 1.00 . A A . 2 LEU CG 1 1
12 3064 1 1 2 LEU H H -5.368 -0.934 0.077 1.00 . A A . 2 LEU H 1 1
12 3065 1 1 2 LEU HA H -7.167 1.333 -0.148 1.00 . A A . 2 LEU HA 1 1
12 3066 1 1 2 LEU HB2 H -4.322 1.418 -1.133 1.00 . A A . 2 LEU HB2 1 1
12 3067 1 1 2 LEU HB3 H -5.569 2.534 -1.660 1.00 . A A . 2 LEU HB3 1 1
12 3068 1 1 2 LEU HD11 H -3.032 3.563 1.032 1.00 . A A . 2 LEU HD11 1 1
12 3069 1 1 2 LEU HD12 H -3.819 4.591 -0.167 1.00 . A A . 2 LEU HD12 1 1
12 3070 1 1 2 LEU HD13 H -3.056 3.081 -0.665 1.00 . A A . 2 LEU HD13 1 1
12 3071 1 1 2 LEU HD21 H -6.745 3.413 1.307 1.00 . A A . 2 LEU HD21 1 1
12 3072 1 1 2 LEU HD22 H -6.585 3.983 -0.355 1.00 . A A . 2 LEU HD22 1 1
12 3073 1 1 2 LEU HD23 H -5.660 4.753 0.934 1.00 . A A . 2 LEU HD23 1 1
12 3074 1 1 2 LEU HG H -4.815 2.231 1.238 1.00 . A A . 2 LEU HG 1 1
12 3075 1 1 2 LEU N N -5.807 -0.120 0.398 1.00 . A A . 2 LEU N 1 1
12 3076 1 1 2 LEU O O -6.453 -1.005 -2.080 1.00 . A A . 2 LEU O 1 1
12 3077 1 1 3 GLY C C -6.698 0.559 -5.109 1.00 . A A . 3 GLY C 1 1
12 3078 1 1 3 GLY CA C -7.760 0.413 -4.035 1.00 . A A . 3 GLY CA 1 1
12 3079 1 1 3 GLY H H -7.504 1.890 -2.540 1.00 . A A . 3 GLY H 1 1
12 3080 1 1 3 GLY HA2 H -7.992 -0.634 -3.914 1.00 . A A . 3 GLY HA2 1 1
12 3081 1 1 3 GLY HA3 H -8.651 0.935 -4.352 1.00 . A A . 3 GLY HA3 1 1
12 3082 1 1 3 GLY N N -7.333 0.950 -2.757 1.00 . A A . 3 GLY N 1 1
12 3083 1 1 3 GLY O O -6.976 0.374 -6.294 1.00 . A A . 3 GLY O 1 1
12 3084 1 1 4 VAL C C -3.549 -0.218 -5.745 1.00 . A A . 4 VAL C 1 1
12 3085 1 1 4 VAL CA C -4.374 1.062 -5.635 1.00 . A A . 4 VAL CA 1 1
12 3086 1 1 4 VAL CB C -3.453 2.230 -5.224 1.00 . A A . 4 VAL CB 1 1
12 3087 1 1 4 VAL CG1 C -2.660 2.731 -6.421 1.00 . A A . 4 VAL CG1 1 1
12 3088 1 1 4 VAL CG2 C -4.264 3.361 -4.604 1.00 . A A . 4 VAL CG2 1 1
12 3089 1 1 4 VAL H H -5.316 1.027 -3.736 1.00 . A A . 4 VAL H 1 1
12 3090 1 1 4 VAL HA H -4.795 1.288 -6.604 1.00 . A A . 4 VAL HA 1 1
12 3091 1 1 4 VAL HB H -2.755 1.868 -4.483 1.00 . A A . 4 VAL HB 1 1
12 3092 1 1 4 VAL HG11 H -1.642 2.377 -6.352 1.00 . A A . 4 VAL HG11 1 1
12 3093 1 1 4 VAL HG12 H -2.665 3.811 -6.432 1.00 . A A . 4 VAL HG12 1 1
12 3094 1 1 4 VAL HG13 H -3.108 2.362 -7.331 1.00 . A A . 4 VAL HG13 1 1
12 3095 1 1 4 VAL HG21 H -5.283 3.308 -4.956 1.00 . A A . 4 VAL HG21 1 1
12 3096 1 1 4 VAL HG22 H -3.835 4.311 -4.887 1.00 . A A . 4 VAL HG22 1 1
12 3097 1 1 4 VAL HG23 H -4.250 3.266 -3.528 1.00 . A A . 4 VAL HG23 1 1
12 3098 1 1 4 VAL N N -5.478 0.892 -4.695 1.00 . A A . 4 VAL N 1 1
12 3099 1 1 4 VAL O O -3.694 -1.130 -4.931 1.00 . A A . 4 VAL O 1 1
12 3100 1 1 5 GLY C C -0.399 -1.153 -7.150 1.00 . A A . 5 GLY C 1 1
12 3101 1 1 5 GLY CA C -1.871 -1.471 -6.955 1.00 . A A . 5 GLY CA 1 1
12 3102 1 1 5 GLY H H -2.622 0.462 -7.384 1.00 . A A . 5 GLY H 1 1
12 3103 1 1 5 GLY HA2 H -1.975 -2.111 -6.092 1.00 . A A . 5 GLY HA2 1 1
12 3104 1 1 5 GLY HA3 H -2.230 -2.001 -7.825 1.00 . A A . 5 GLY HA3 1 1
12 3105 1 1 5 GLY N N -2.692 -0.288 -6.760 1.00 . A A . 5 GLY N 1 1
12 3106 1 1 5 GLY O O 0.290 -1.831 -7.912 1.00 . A A . 5 GLY O 1 1
12 3107 1 1 6 SER C C 2.310 -0.413 -5.452 1.00 . A A . 6 SER C 1 1
12 3108 1 1 6 SER CA C 1.495 0.256 -6.555 1.00 . A A . 6 SER CA 1 1
12 3109 1 1 6 SER CB C 1.639 1.776 -6.463 1.00 . A A . 6 SER CB 1 1
12 3110 1 1 6 SER H H -0.502 0.369 -5.856 1.00 . A A . 6 SER H 1 1
12 3111 1 1 6 SER HA H 1.865 -0.077 -7.513 1.00 . A A . 6 SER HA 1 1
12 3112 1 1 6 SER HB2 H 2.518 2.020 -5.885 1.00 . A A . 6 SER HB2 1 1
12 3113 1 1 6 SER HB3 H 1.737 2.186 -7.457 1.00 . A A . 6 SER HB3 1 1
12 3114 1 1 6 SER HG H 0.240 3.140 -6.329 1.00 . A A . 6 SER HG 1 1
12 3115 1 1 6 SER N N 0.091 -0.131 -6.455 1.00 . A A . 6 SER N 1 1
12 3116 1 1 6 SER O O 3.482 -0.742 -5.635 1.00 . A A . 6 SER O 1 1
12 3117 1 1 6 SER OG O 0.509 2.360 -5.839 1.00 . A A . 6 SER OG 1 1
12 3118 1 1 7 CYS C C 1.251 -2.000 -2.348 1.00 . A A . 7 CYS C 1 1
12 3119 1 1 7 CYS CA C 2.300 -1.249 -3.160 1.00 . A A . 7 CYS CA 1 1
12 3120 1 1 7 CYS CB C 2.992 -0.198 -2.286 1.00 . A A . 7 CYS CB 1 1
12 3121 1 1 7 CYS H H 0.733 -0.331 -4.235 1.00 . A A . 7 CYS H 1 1
12 3122 1 1 7 CYS HA H 3.035 -1.951 -3.525 1.00 . A A . 7 CYS HA 1 1
12 3123 1 1 7 CYS HB2 H 3.098 0.716 -2.851 1.00 . A A . 7 CYS HB2 1 1
12 3124 1 1 7 CYS HB3 H 2.382 -0.007 -1.415 1.00 . A A . 7 CYS HB3 1 1
12 3125 1 1 7 CYS N N 1.667 -0.614 -4.309 1.00 . A A . 7 CYS N 1 1
12 3126 1 1 7 CYS O O 0.173 -2.308 -2.856 1.00 . A A . 7 CYS O 1 1
12 3127 1 1 7 CYS SG S 4.650 -0.683 -1.705 1.00 . A A . 7 CYS SG 1 1
12 3128 1 1 8 VAL C C 0.683 -2.474 1.203 1.00 . A A . 8 VAL C 1 1
12 3129 1 1 8 VAL CA C 0.610 -2.981 -0.226 1.00 . A A . 8 VAL CA 1 1
12 3130 1 1 8 VAL CB C 0.860 -4.495 -0.202 1.00 . A A . 8 VAL CB 1 1
12 3131 1 1 8 VAL CG1 C -0.245 -5.219 0.554 1.00 . A A . 8 VAL CG1 1 1
12 3132 1 1 8 VAL CG2 C 1.001 -5.044 -1.612 1.00 . A A . 8 VAL CG2 1 1
12 3133 1 1 8 VAL H H 2.420 -2.009 -0.724 1.00 . A A . 8 VAL H 1 1
12 3134 1 1 8 VAL HA H -0.385 -2.808 -0.609 1.00 . A A . 8 VAL HA 1 1
12 3135 1 1 8 VAL HB H 1.778 -4.662 0.324 1.00 . A A . 8 VAL HB 1 1
12 3136 1 1 8 VAL HG11 H -1.085 -4.556 0.686 1.00 . A A . 8 VAL HG11 1 1
12 3137 1 1 8 VAL HG12 H 0.123 -5.526 1.522 1.00 . A A . 8 VAL HG12 1 1
12 3138 1 1 8 VAL HG13 H -0.558 -6.089 -0.004 1.00 . A A . 8 VAL HG13 1 1
12 3139 1 1 8 VAL HG21 H 1.025 -6.123 -1.577 1.00 . A A . 8 VAL HG21 1 1
12 3140 1 1 8 VAL HG22 H 1.916 -4.676 -2.051 1.00 . A A . 8 VAL HG22 1 1
12 3141 1 1 8 VAL HG23 H 0.160 -4.722 -2.209 1.00 . A A . 8 VAL HG23 1 1
12 3142 1 1 8 VAL N N 1.553 -2.282 -1.086 1.00 . A A . 8 VAL N 1 1
12 3143 1 1 8 VAL O O 1.737 -2.058 1.683 1.00 . A A . 8 VAL O 1 1
12 3144 1 1 9 ASP C C -0.754 -3.313 4.185 1.00 . A A . 9 ASP C 1 1
12 3145 1 1 9 ASP CA C -0.546 -2.108 3.268 1.00 . A A . 9 ASP CA 1 1
12 3146 1 1 9 ASP CB C -1.676 -1.086 3.463 1.00 . A A . 9 ASP CB 1 1
12 3147 1 1 9 ASP CG C -3.024 -1.572 2.957 1.00 . A A . 9 ASP CG 1 1
12 3148 1 1 9 ASP H H -1.239 -2.892 1.421 1.00 . A A . 9 ASP H 1 1
12 3149 1 1 9 ASP HA H 0.393 -1.640 3.529 1.00 . A A . 9 ASP HA 1 1
12 3150 1 1 9 ASP HB2 H -1.772 -0.869 4.516 1.00 . A A . 9 ASP HB2 1 1
12 3151 1 1 9 ASP HB3 H -1.423 -0.177 2.939 1.00 . A A . 9 ASP HB3 1 1
12 3152 1 1 9 ASP N N -0.450 -2.535 1.875 1.00 . A A . 9 ASP N 1 1
12 3153 1 1 9 ASP O O -0.566 -3.223 5.399 1.00 . A A . 9 ASP O 1 1
12 3154 1 1 9 ASP OD1 O -3.158 -2.703 2.492 1.00 . A A . 9 ASP OD1 1 1
12 3155 1 1 10 PHE C C -2.313 -5.440 5.509 1.00 . A A . 10 PHE C 1 1
12 3156 1 1 10 PHE CA C -1.364 -5.672 4.341 1.00 . A A . 10 PHE CA 1 1
12 3157 1 1 10 PHE CB C -0.036 -6.246 4.844 1.00 . A A . 10 PHE CB 1 1
12 3158 1 1 10 PHE CD1 C 0.727 -8.605 5.237 1.00 . A A . 10 PHE CD1 1 1
12 3159 1 1 10 PHE CD2 C -0.032 -8.006 3.056 1.00 . A A . 10 PHE CD2 1 1
12 3160 1 1 10 PHE CE1 C 0.967 -9.894 4.802 1.00 . A A . 10 PHE CE1 1 1
12 3161 1 1 10 PHE CE2 C 0.206 -9.293 2.616 1.00 . A A . 10 PHE CE2 1 1
12 3162 1 1 10 PHE CG C 0.225 -7.647 4.370 1.00 . A A . 10 PHE CG 1 1
12 3163 1 1 10 PHE CZ C 0.706 -10.239 3.490 1.00 . A A . 10 PHE CZ 1 1
12 3164 1 1 10 PHE H H -1.266 -4.451 2.624 1.00 . A A . 10 PHE H 1 1
12 3165 1 1 10 PHE HA H -1.817 -6.385 3.667 1.00 . A A . 10 PHE HA 1 1
12 3166 1 1 10 PHE HB2 H 0.773 -5.622 4.496 1.00 . A A . 10 PHE HB2 1 1
12 3167 1 1 10 PHE HB3 H -0.039 -6.255 5.925 1.00 . A A . 10 PHE HB3 1 1
12 3168 1 1 10 PHE HD1 H 0.930 -8.336 6.263 1.00 . A A . 10 PHE HD1 1 1
12 3169 1 1 10 PHE HD2 H -0.423 -7.267 2.372 1.00 . A A . 10 PHE HD2 1 1
12 3170 1 1 10 PHE HE1 H 1.358 -10.632 5.487 1.00 . A A . 10 PHE HE1 1 1
12 3171 1 1 10 PHE HE2 H 0.002 -9.560 1.589 1.00 . A A . 10 PHE HE2 1 1
12 3172 1 1 10 PHE HZ H 0.893 -11.246 3.148 1.00 . A A . 10 PHE HZ 1 1
12 3173 1 1 10 PHE N N -1.137 -4.442 3.592 1.00 . A A . 10 PHE N 1 1
12 3174 1 1 10 PHE O O -2.204 -6.091 6.549 1.00 . A A . 10 PHE O 1 1
12 3175 1 1 11 ALA C C -5.540 -4.927 6.110 1.00 . A A . 11 ALA C 1 1
12 3176 1 1 11 ALA CA C -4.221 -4.213 6.368 1.00 . A A . 11 ALA CA 1 1
12 3177 1 1 11 ALA CB C -4.436 -2.711 6.474 1.00 . A A . 11 ALA CB 1 1
12 3178 1 1 11 ALA H H -3.292 -4.035 4.476 1.00 . A A . 11 ALA H 1 1
12 3179 1 1 11 ALA HA H -3.819 -4.565 7.303 1.00 . A A . 11 ALA HA 1 1
12 3180 1 1 11 ALA HB1 H -5.459 -2.512 6.757 1.00 . A A . 11 ALA HB1 1 1
12 3181 1 1 11 ALA HB2 H -4.230 -2.250 5.519 1.00 . A A . 11 ALA HB2 1 1
12 3182 1 1 11 ALA HB3 H -3.770 -2.303 7.221 1.00 . A A . 11 ALA HB3 1 1
12 3183 1 1 11 ALA N N -3.249 -4.516 5.329 1.00 . A A . 11 ALA N 1 1
12 3184 1 1 11 ALA O O -6.592 -4.510 6.594 1.00 . A A . 11 ALA O 1 1
12 3185 1 1 12 GLY C C -7.105 -6.627 3.592 1.00 . A A . 12 GLY C 1 1
12 3186 1 1 12 GLY CA C -6.669 -6.776 5.037 1.00 . A A . 12 GLY CA 1 1
12 3187 1 1 12 GLY H H -4.600 -6.294 4.992 1.00 . A A . 12 GLY H 1 1
12 3188 1 1 12 GLY HA2 H -6.476 -7.819 5.237 1.00 . A A . 12 GLY HA2 1 1
12 3189 1 1 12 GLY HA3 H -7.471 -6.441 5.679 1.00 . A A . 12 GLY HA3 1 1
12 3190 1 1 12 GLY N N -5.472 -6.011 5.347 1.00 . A A . 12 GLY N 1 1
12 3191 1 1 12 GLY O O -7.965 -7.369 3.118 1.00 . A A . 12 GLY O 1 1
12 3192 1 1 13 CYS C C -5.671 -5.836 0.598 1.00 . A A . 13 CYS C 1 1
12 3193 1 1 13 CYS CA C -6.838 -5.432 1.489 1.00 . A A . 13 CYS CA 1 1
12 3194 1 1 13 CYS CB C -7.181 -3.958 1.258 1.00 . A A . 13 CYS CB 1 1
12 3195 1 1 13 CYS H H -5.828 -5.116 3.318 1.00 . A A . 13 CYS H 1 1
12 3196 1 1 13 CYS HA H -7.696 -6.039 1.240 1.00 . A A . 13 CYS HA 1 1
12 3197 1 1 13 CYS HB2 H -6.266 -3.391 1.190 1.00 . A A . 13 CYS HB2 1 1
12 3198 1 1 13 CYS HB3 H -7.723 -3.866 0.327 1.00 . A A . 13 CYS HB3 1 1
12 3199 1 1 13 CYS N N -6.509 -5.670 2.889 1.00 . A A . 13 CYS N 1 1
12 3200 1 1 13 CYS O O -5.863 -6.285 -0.532 1.00 . A A . 13 CYS O 1 1
12 3201 1 1 13 CYS SG S -8.201 -3.206 2.569 1.00 . A A . 13 CYS SG 1 1
12 3202 1 1 14 GLY C C -2.952 -5.017 -0.716 1.00 . A A . 14 GLY C 1 1
12 3203 1 1 14 GLY CA C -3.275 -6.026 0.366 1.00 . A A . 14 GLY CA 1 1
12 3204 1 1 14 GLY H H -4.371 -5.312 2.026 1.00 . A A . 14 GLY H 1 1
12 3205 1 1 14 GLY HA2 H -2.439 -6.093 1.045 1.00 . A A . 14 GLY HA2 1 1
12 3206 1 1 14 GLY HA3 H -3.429 -6.992 -0.093 1.00 . A A . 14 GLY HA3 1 1
12 3207 1 1 14 GLY N N -4.460 -5.674 1.119 1.00 . A A . 14 GLY N 1 1
12 3208 1 1 14 GLY O O -2.471 -5.384 -1.789 1.00 . A A . 14 GLY O 1 1
12 3209 1 1 15 TYR C C -2.622 -1.353 -0.755 1.00 . A A . 15 TYR C 1 1
12 3210 1 1 15 TYR CA C -2.946 -2.692 -1.419 1.00 . A A . 15 TYR CA 1 1
12 3211 1 1 15 TYR CB C -4.138 -2.531 -2.362 1.00 . A A . 15 TYR CB 1 1
12 3212 1 1 15 TYR CD1 C -5.350 -4.204 -3.813 1.00 . A A . 15 TYR CD1 1 1
12 3213 1 1 15 TYR CD2 C -3.025 -3.852 -4.205 1.00 . A A . 15 TYR CD2 1 1
12 3214 1 1 15 TYR CE1 C -5.386 -5.135 -4.833 1.00 . A A . 15 TYR CE1 1 1
12 3215 1 1 15 TYR CE2 C -3.053 -4.782 -5.227 1.00 . A A . 15 TYR CE2 1 1
12 3216 1 1 15 TYR CG C -4.172 -3.547 -3.481 1.00 . A A . 15 TYR CG 1 1
12 3217 1 1 15 TYR CZ C -4.235 -5.421 -5.537 1.00 . A A . 15 TYR CZ 1 1
12 3218 1 1 15 TYR H H -3.601 -3.504 0.426 1.00 . A A . 15 TYR H 1 1
12 3219 1 1 15 TYR HA H -2.089 -3.002 -1.996 1.00 . A A . 15 TYR HA 1 1
12 3220 1 1 15 TYR HB2 H -5.050 -2.635 -1.795 1.00 . A A . 15 TYR HB2 1 1
12 3221 1 1 15 TYR HB3 H -4.107 -1.546 -2.806 1.00 . A A . 15 TYR HB3 1 1
12 3222 1 1 15 TYR HD1 H -6.250 -3.978 -3.259 1.00 . A A . 15 TYR HD1 1 1
12 3223 1 1 15 TYR HD2 H -2.100 -3.351 -3.959 1.00 . A A . 15 TYR HD2 1 1
12 3224 1 1 15 TYR HE1 H -6.313 -5.635 -5.075 1.00 . A A . 15 TYR HE1 1 1
12 3225 1 1 15 TYR HE2 H -2.151 -5.005 -5.778 1.00 . A A . 15 TYR HE2 1 1
12 3226 1 1 15 TYR HH H -3.686 -6.066 -7.265 1.00 . A A . 15 TYR HH 1 1
12 3227 1 1 15 TYR N N -3.217 -3.741 -0.443 1.00 . A A . 15 TYR N 1 1
12 3228 1 1 15 TYR O O -3.398 -0.834 0.046 1.00 . A A . 15 TYR O 1 1
12 3229 1 1 15 TYR OH O -4.267 -6.348 -6.554 1.00 . A A . 15 TYR OH 1 1
12 3230 1 1 16 ALA C C -0.316 1.292 -1.683 1.00 . A A . 16 ALA C 1 1
12 3231 1 1 16 ALA CA C -1.016 0.489 -0.597 1.00 . A A . 16 ALA CA 1 1
12 3232 1 1 16 ALA CB C -0.081 0.293 0.583 1.00 . A A . 16 ALA CB 1 1
12 3233 1 1 16 ALA H H -0.912 -1.269 -1.763 1.00 . A A . 16 ALA H 1 1
12 3234 1 1 16 ALA HA H -1.874 1.046 -0.257 1.00 . A A . 16 ALA HA 1 1
12 3235 1 1 16 ALA HB1 H 0.828 -0.182 0.247 1.00 . A A . 16 ALA HB1 1 1
12 3236 1 1 16 ALA HB2 H -0.560 -0.329 1.320 1.00 . A A . 16 ALA HB2 1 1
12 3237 1 1 16 ALA HB3 H 0.154 1.253 1.019 1.00 . A A . 16 ALA HB3 1 1
12 3238 1 1 16 ALA N N -1.471 -0.799 -1.118 1.00 . A A . 16 ALA N 1 1
12 3239 1 1 16 ALA O O 0.425 0.741 -2.496 1.00 . A A . 16 ALA O 1 1
12 3240 1 1 17 VAL C C 1.423 3.981 -2.143 1.00 . A A . 17 VAL C 1 1
12 3241 1 1 17 VAL CA C 0.083 3.475 -2.664 1.00 . A A . 17 VAL CA 1 1
12 3242 1 1 17 VAL CB C -0.803 4.692 -3.021 1.00 . A A . 17 VAL CB 1 1
12 3243 1 1 17 VAL CG1 C -0.708 5.001 -4.507 1.00 . A A . 17 VAL CG1 1 1
12 3244 1 1 17 VAL CG2 C -2.251 4.461 -2.614 1.00 . A A . 17 VAL CG2 1 1
12 3245 1 1 17 VAL H H -1.134 2.983 -1.004 1.00 . A A . 17 VAL H 1 1
12 3246 1 1 17 VAL HA H 0.252 2.901 -3.564 1.00 . A A . 17 VAL HA 1 1
12 3247 1 1 17 VAL HB H -0.433 5.550 -2.476 1.00 . A A . 17 VAL HB 1 1
12 3248 1 1 17 VAL HG11 H 0.163 4.515 -4.921 1.00 . A A . 17 VAL HG11 1 1
12 3249 1 1 17 VAL HG12 H -0.627 6.068 -4.649 1.00 . A A . 17 VAL HG12 1 1
12 3250 1 1 17 VAL HG13 H -1.594 4.638 -5.007 1.00 . A A . 17 VAL HG13 1 1
12 3251 1 1 17 VAL HG21 H -2.398 4.807 -1.603 1.00 . A A . 17 VAL HG21 1 1
12 3252 1 1 17 VAL HG22 H -2.479 3.407 -2.671 1.00 . A A . 17 VAL HG22 1 1
12 3253 1 1 17 VAL HG23 H -2.904 5.007 -3.279 1.00 . A A . 17 VAL HG23 1 1
12 3254 1 1 17 VAL N N -0.543 2.599 -1.684 1.00 . A A . 17 VAL N 1 1
12 3255 1 1 17 VAL O O 2.122 4.733 -2.821 1.00 . A A . 17 VAL O 1 1
12 3256 1 1 18 VAL C C 3.757 2.791 0.315 1.00 . A A . 18 VAL C 1 1
12 3257 1 1 18 VAL CA C 3.034 3.976 -0.318 1.00 . A A . 18 VAL CA 1 1
12 3258 1 1 18 VAL CB C 2.806 5.058 0.753 1.00 . A A . 18 VAL CB 1 1
12 3259 1 1 18 VAL CG1 C 4.132 5.634 1.222 1.00 . A A . 18 VAL CG1 1 1
12 3260 1 1 18 VAL CG2 C 1.898 6.156 0.221 1.00 . A A . 18 VAL CG2 1 1
12 3261 1 1 18 VAL H H 1.174 2.960 -0.432 1.00 . A A . 18 VAL H 1 1
12 3262 1 1 18 VAL HA H 3.659 4.394 -1.094 1.00 . A A . 18 VAL HA 1 1
12 3263 1 1 18 VAL HB H 2.320 4.598 1.600 1.00 . A A . 18 VAL HB 1 1
12 3264 1 1 18 VAL HG11 H 4.828 5.653 0.396 1.00 . A A . 18 VAL HG11 1 1
12 3265 1 1 18 VAL HG12 H 4.531 5.020 2.015 1.00 . A A . 18 VAL HG12 1 1
12 3266 1 1 18 VAL HG13 H 3.979 6.639 1.586 1.00 . A A . 18 VAL HG13 1 1
12 3267 1 1 18 VAL HG21 H 2.242 6.466 -0.754 1.00 . A A . 18 VAL HG21 1 1
12 3268 1 1 18 VAL HG22 H 1.919 6.999 0.896 1.00 . A A . 18 VAL HG22 1 1
12 3269 1 1 18 VAL HG23 H 0.888 5.782 0.144 1.00 . A A . 18 VAL HG23 1 1
12 3270 1 1 18 VAL N N 1.776 3.562 -0.929 1.00 . A A . 18 VAL N 1 1
12 3271 1 1 18 VAL O O 3.151 1.756 0.590 1.00 . A A . 18 VAL O 1 1
12 3272 1 1 19 CYS C C 6.975 2.480 2.009 1.00 . A A . 19 CYS C 1 1
12 3273 1 1 19 CYS CA C 5.867 1.892 1.139 1.00 . A A . 19 CYS CA 1 1
12 3274 1 1 19 CYS CB C 6.478 0.993 0.055 1.00 . A A . 19 CYS CB 1 1
12 3275 1 1 19 CYS H H 5.484 3.798 0.297 1.00 . A A . 19 CYS H 1 1
12 3276 1 1 19 CYS HA H 5.220 1.298 1.762 1.00 . A A . 19 CYS HA 1 1
12 3277 1 1 19 CYS HB2 H 7.510 1.273 -0.093 1.00 . A A . 19 CYS HB2 1 1
12 3278 1 1 19 CYS HB3 H 6.437 -0.034 0.389 1.00 . A A . 19 CYS HB3 1 1
12 3279 1 1 19 CYS N N 5.058 2.951 0.540 1.00 . A A . 19 CYS N 1 1
12 3280 1 1 19 CYS O O 7.203 2.029 3.131 1.00 . A A . 19 CYS O 1 1
12 3281 1 1 19 CYS SG S 5.649 1.079 -1.570 1.00 . A A . 19 CYS SG 1 1
12 3282 1 1 20 PHE C C 8.318 5.518 2.722 1.00 . A A . 20 PHE C 1 1
12 3283 1 1 20 PHE CA C 8.747 4.144 2.205 1.00 . A A . 20 PHE CA 1 1
12 3284 1 1 20 PHE CB C 9.986 4.293 1.310 1.00 . A A . 20 PHE CB 1 1
12 3285 1 1 20 PHE CD1 C 9.406 3.992 -1.113 1.00 . A A . 20 PHE CD1 1 1
12 3286 1 1 20 PHE CD2 C 10.427 2.172 0.042 1.00 . A A . 20 PHE CD2 1 1
12 3287 1 1 20 PHE CE1 C 9.361 3.237 -2.270 1.00 . A A . 20 PHE CE1 1 1
12 3288 1 1 20 PHE CE2 C 10.385 1.413 -1.112 1.00 . A A . 20 PHE CE2 1 1
12 3289 1 1 20 PHE CG C 9.939 3.469 0.054 1.00 . A A . 20 PHE CG 1 1
12 3290 1 1 20 PHE CZ C 9.851 1.946 -2.269 1.00 . A A . 20 PHE CZ 1 1
12 3291 1 1 20 PHE H H 7.427 3.800 0.583 1.00 . A A . 20 PHE H 1 1
12 3292 1 1 20 PHE HA H 9.000 3.522 3.050 1.00 . A A . 20 PHE HA 1 1
12 3293 1 1 20 PHE HB2 H 10.089 5.328 1.020 1.00 . A A . 20 PHE HB2 1 1
12 3294 1 1 20 PHE HB3 H 10.860 3.995 1.870 1.00 . A A . 20 PHE HB3 1 1
12 3295 1 1 20 PHE HD1 H 9.023 5.002 -1.115 1.00 . A A . 20 PHE HD1 1 1
12 3296 1 1 20 PHE HD2 H 10.844 1.754 0.946 1.00 . A A . 20 PHE HD2 1 1
12 3297 1 1 20 PHE HE1 H 8.943 3.657 -3.173 1.00 . A A . 20 PHE HE1 1 1
12 3298 1 1 20 PHE HE2 H 10.768 0.403 -1.108 1.00 . A A . 20 PHE HE2 1 1
12 3299 1 1 20 PHE HZ H 9.818 1.354 -3.172 1.00 . A A . 20 PHE HZ 1 1
12 3300 1 1 20 PHE N N 7.659 3.488 1.481 1.00 . A A . 20 PHE N 1 1
12 3301 1 1 20 PHE O O 9.116 6.230 3.331 1.00 . A A . 20 PHE O 1 1
12 3302 1 1 21 DTR C C 5.904 7.055 4.308 1.00 . A A . 21 DTR C 1 1
12 3303 1 1 21 DTR CA C 6.500 7.166 2.909 1.00 . A A . 21 DTR CA 1 1
12 3304 1 1 21 DTR CB C 7.555 8.280 2.871 1.00 . A A . 21 DTR CB 1 1
12 3305 1 1 21 DTR CD1 C 7.990 7.805 0.391 1.00 . A A . 21 DTR CD1 1 1
12 3306 1 1 21 DTR CD2 C 9.691 8.806 1.448 1.00 . A A . 21 DTR CD2 1 1
12 3307 1 1 21 DTR CE2 C 10.055 8.603 0.104 1.00 . A A . 21 DTR CE2 1 1
12 3308 1 1 21 DTR CE3 C 10.604 9.423 2.308 1.00 . A A . 21 DTR CE3 1 1
12 3309 1 1 21 DTR CG C 8.366 8.288 1.612 1.00 . A A . 21 DTR CG 1 1
12 3310 1 1 21 DTR CH2 C 12.167 9.597 0.464 1.00 . A A . 21 DTR CH2 1 1
12 3311 1 1 21 DTR CZ2 C 11.293 8.995 -0.400 1.00 . A A . 21 DTR CZ2 1 1
12 3312 1 1 21 DTR CZ3 C 11.832 9.812 1.807 1.00 . A A . 21 DTR CZ3 1 1
12 3313 1 1 21 DTR H H 6.475 5.262 1.987 1.00 . A A . 21 DTR H 1 1
12 3314 1 1 21 DTR HA H 5.705 7.420 2.222 1.00 . A A . 21 DTR HA 1 1
12 3315 1 1 21 DTR HB2 H 7.060 9.236 2.954 1.00 . A A . 21 DTR HB2 1 1
12 3316 1 1 21 DTR HB3 H 8.229 8.158 3.706 1.00 . A A . 21 DTR HB3 1 1
12 3317 1 1 21 DTR HD1 H 7.035 7.345 0.188 1.00 . A A . 21 DTR HD1 1 1
12 3318 1 1 21 DTR HE1 H 8.971 7.727 -1.464 1.00 . A A . 21 DTR HE1 1 1
12 3319 1 1 21 DTR HE3 H 10.364 9.597 3.346 1.00 . A A . 21 DTR HE3 1 1
12 3320 1 1 21 DTR HH2 H 13.138 9.917 0.117 1.00 . A A . 21 DTR HH2 1 1
12 3321 1 1 21 DTR HZ2 H 11.567 8.838 -1.433 1.00 . A A . 21 DTR HZ2 1 1
12 3322 1 1 21 DTR HZ3 H 12.551 10.290 2.457 1.00 . A A . 21 DTR HZ3 1 1
12 3323 1 1 21 DTR N N 7.055 5.879 2.476 1.00 . A A . 21 DTR N 1 1
12 3324 1 1 21 DTR NE1 N 9.001 7.990 -0.521 1.00 . A A . 21 DTR NE1 1 1
13 3325 1 1 1 CYS C C -5.974 0.226 1.361 1.00 . A A . 1 CYS C 1 1
13 3326 1 1 1 CYS CA C -5.446 -0.877 2.278 1.00 . A A . 1 CYS CA 1 1
13 3327 1 1 1 CYS CB C -6.436 -1.099 3.425 1.00 . A A . 1 CYS CB 1 1
13 3328 1 1 1 CYS H1 H -3.932 0.421 2.666 1.00 . A A . 1 CYS H1 1 1
13 3329 1 1 1 CYS HA H -5.348 -1.791 1.712 1.00 . A A . 1 CYS HA 1 1
13 3330 1 1 1 CYS HB2 H -6.104 -0.542 4.288 1.00 . A A . 1 CYS HB2 1 1
13 3331 1 1 1 CYS HB3 H -7.410 -0.738 3.124 1.00 . A A . 1 CYS HB3 1 1
13 3332 1 1 1 CYS N N -4.130 -0.528 2.811 1.00 . A A . 1 CYS N 1 1
13 3333 1 1 1 CYS O O -6.484 1.242 1.832 1.00 . A A . 1 CYS O 1 1
13 3334 1 1 1 CYS SG S -6.622 -2.837 3.932 1.00 . A A . 1 CYS SG 1 1
13 3335 1 1 2 LEU C C -6.758 0.342 -2.216 1.00 . A A . 2 LEU C 1 1
13 3336 1 1 2 LEU CA C -6.321 1.008 -0.916 1.00 . A A . 2 LEU CA 1 1
13 3337 1 1 2 LEU CB C -5.226 2.038 -1.197 1.00 . A A . 2 LEU CB 1 1
13 3338 1 1 2 LEU CD1 C -3.556 3.702 -0.334 1.00 . A A . 2 LEU CD1 1 1
13 3339 1 1 2 LEU CD2 C -5.866 3.637 0.628 1.00 . A A . 2 LEU CD2 1 1
13 3340 1 1 2 LEU CG C -4.735 2.811 0.030 1.00 . A A . 2 LEU CG 1 1
13 3341 1 1 2 LEU H H -5.436 -0.806 -0.265 1.00 . A A . 2 LEU H 1 1
13 3342 1 1 2 LEU HA H -7.171 1.512 -0.487 1.00 . A A . 2 LEU HA 1 1
13 3343 1 1 2 LEU HB2 H -4.382 1.526 -1.636 1.00 . A A . 2 LEU HB2 1 1
13 3344 1 1 2 LEU HB3 H -5.606 2.750 -1.914 1.00 . A A . 2 LEU HB3 1 1
13 3345 1 1 2 LEU HD11 H -2.775 3.584 0.402 1.00 . A A . 2 LEU HD11 1 1
13 3346 1 1 2 LEU HD12 H -3.876 4.733 -0.357 1.00 . A A . 2 LEU HD12 1 1
13 3347 1 1 2 LEU HD13 H -3.179 3.421 -1.306 1.00 . A A . 2 LEU HD13 1 1
13 3348 1 1 2 LEU HD21 H -5.859 3.531 1.703 1.00 . A A . 2 LEU HD21 1 1
13 3349 1 1 2 LEU HD22 H -6.811 3.292 0.239 1.00 . A A . 2 LEU HD22 1 1
13 3350 1 1 2 LEU HD23 H -5.729 4.677 0.369 1.00 . A A . 2 LEU HD23 1 1
13 3351 1 1 2 LEU HG H -4.402 2.108 0.779 1.00 . A A . 2 LEU HG 1 1
13 3352 1 1 2 LEU N N -5.851 0.022 0.054 1.00 . A A . 2 LEU N 1 1
13 3353 1 1 2 LEU O O -6.523 -0.847 -2.428 1.00 . A A . 2 LEU O 1 1
13 3354 1 1 3 GLY C C -6.788 0.663 -5.436 1.00 . A A . 3 GLY C 1 1
13 3355 1 1 3 GLY CA C -7.853 0.591 -4.357 1.00 . A A . 3 GLY CA 1 1
13 3356 1 1 3 GLY H H -7.553 2.061 -2.863 1.00 . A A . 3 GLY H 1 1
13 3357 1 1 3 GLY HA2 H -8.143 -0.440 -4.222 1.00 . A A . 3 GLY HA2 1 1
13 3358 1 1 3 GLY HA3 H -8.714 1.157 -4.679 1.00 . A A . 3 GLY HA3 1 1
13 3359 1 1 3 GLY N N -7.395 1.119 -3.085 1.00 . A A . 3 GLY N 1 1
13 3360 1 1 3 GLY O O -7.058 0.377 -6.602 1.00 . A A . 3 GLY O 1 1
13 3361 1 1 4 VAL C C -3.574 -0.081 -5.932 1.00 . A A . 4 VAL C 1 1
13 3362 1 1 4 VAL CA C -4.468 1.155 -5.993 1.00 . A A . 4 VAL CA 1 1
13 3363 1 1 4 VAL CB C -3.619 2.410 -5.720 1.00 . A A . 4 VAL CB 1 1
13 3364 1 1 4 VAL CG1 C -2.621 2.639 -6.844 1.00 . A A . 4 VAL CG1 1 1
13 3365 1 1 4 VAL CG2 C -4.513 3.628 -5.535 1.00 . A A . 4 VAL CG2 1 1
13 3366 1 1 4 VAL H H -5.417 1.262 -4.104 1.00 . A A . 4 VAL H 1 1
13 3367 1 1 4 VAL HA H -4.885 1.236 -6.986 1.00 . A A . 4 VAL HA 1 1
13 3368 1 1 4 VAL HB H -3.066 2.254 -4.805 1.00 . A A . 4 VAL HB 1 1
13 3369 1 1 4 VAL HG11 H -2.316 3.675 -6.850 1.00 . A A . 4 VAL HG11 1 1
13 3370 1 1 4 VAL HG12 H -3.081 2.393 -7.789 1.00 . A A . 4 VAL HG12 1 1
13 3371 1 1 4 VAL HG13 H -1.756 2.010 -6.691 1.00 . A A . 4 VAL HG13 1 1
13 3372 1 1 4 VAL HG21 H -5.450 3.467 -6.048 1.00 . A A . 4 VAL HG21 1 1
13 3373 1 1 4 VAL HG22 H -4.024 4.499 -5.944 1.00 . A A . 4 VAL HG22 1 1
13 3374 1 1 4 VAL HG23 H -4.700 3.781 -4.483 1.00 . A A . 4 VAL HG23 1 1
13 3375 1 1 4 VAL N N -5.574 1.047 -5.048 1.00 . A A . 4 VAL N 1 1
13 3376 1 1 4 VAL O O -3.614 -0.837 -4.963 1.00 . A A . 4 VAL O 1 1
13 3377 1 1 5 GLY C C -0.435 -1.067 -7.214 1.00 . A A . 5 GLY C 1 1
13 3378 1 1 5 GLY CA C -1.893 -1.439 -7.016 1.00 . A A . 5 GLY CA 1 1
13 3379 1 1 5 GLY H H -2.790 0.344 -7.723 1.00 . A A . 5 GLY H 1 1
13 3380 1 1 5 GLY HA2 H -1.989 -1.983 -6.088 1.00 . A A . 5 GLY HA2 1 1
13 3381 1 1 5 GLY HA3 H -2.201 -2.082 -7.828 1.00 . A A . 5 GLY HA3 1 1
13 3382 1 1 5 GLY N N -2.775 -0.286 -6.975 1.00 . A A . 5 GLY N 1 1
13 3383 1 1 5 GLY O O 0.223 -1.579 -8.120 1.00 . A A . 5 GLY O 1 1
13 3384 1 1 6 SER C C 2.289 -0.414 -5.337 1.00 . A A . 6 SER C 1 1
13 3385 1 1 6 SER CA C 1.470 0.241 -6.444 1.00 . A A . 6 SER CA 1 1
13 3386 1 1 6 SER CB C 1.570 1.764 -6.343 1.00 . A A . 6 SER CB 1 1
13 3387 1 1 6 SER H H -0.495 0.184 -5.653 1.00 . A A . 6 SER H 1 1
13 3388 1 1 6 SER HA H 1.858 -0.077 -7.401 1.00 . A A . 6 SER HA 1 1
13 3389 1 1 6 SER HB2 H 2.449 2.028 -5.774 1.00 . A A . 6 SER HB2 1 1
13 3390 1 1 6 SER HB3 H 1.644 2.185 -7.335 1.00 . A A . 6 SER HB3 1 1
13 3391 1 1 6 SER HG H 0.204 3.148 -6.107 1.00 . A A . 6 SER HG 1 1
13 3392 1 1 6 SER N N 0.076 -0.184 -6.361 1.00 . A A . 6 SER N 1 1
13 3393 1 1 6 SER O O 3.458 -0.752 -5.525 1.00 . A A . 6 SER O 1 1
13 3394 1 1 6 SER OG O 0.431 2.309 -5.700 1.00 . A A . 6 SER OG 1 1
13 3395 1 1 7 CYS C C 1.250 -1.937 -2.190 1.00 . A A . 7 CYS C 1 1
13 3396 1 1 7 CYS CA C 2.296 -1.211 -3.030 1.00 . A A . 7 CYS CA 1 1
13 3397 1 1 7 CYS CB C 3.014 -0.150 -2.190 1.00 . A A . 7 CYS CB 1 1
13 3398 1 1 7 CYS H H 0.722 -0.303 -4.108 1.00 . A A . 7 CYS H 1 1
13 3399 1 1 7 CYS HA H 3.018 -1.929 -3.392 1.00 . A A . 7 CYS HA 1 1
13 3400 1 1 7 CYS HB2 H 2.900 0.812 -2.667 1.00 . A A . 7 CYS HB2 1 1
13 3401 1 1 7 CYS HB3 H 2.566 -0.112 -1.207 1.00 . A A . 7 CYS HB3 1 1
13 3402 1 1 7 CYS N N 1.655 -0.592 -4.184 1.00 . A A . 7 CYS N 1 1
13 3403 1 1 7 CYS O O 0.151 -2.217 -2.669 1.00 . A A . 7 CYS O 1 1
13 3404 1 1 7 CYS SG S 4.798 -0.450 -1.975 1.00 . A A . 7 CYS SG 1 1
13 3405 1 1 8 VAL C C 0.655 -2.322 1.340 1.00 . A A . 8 VAL C 1 1
13 3406 1 1 8 VAL CA C 0.642 -2.918 -0.056 1.00 . A A . 8 VAL CA 1 1
13 3407 1 1 8 VAL CB C 0.954 -4.415 0.072 1.00 . A A . 8 VAL CB 1 1
13 3408 1 1 8 VAL CG1 C -0.205 -5.155 0.722 1.00 . A A . 8 VAL CG1 1 1
13 3409 1 1 8 VAL CG2 C 1.296 -5.020 -1.279 1.00 . A A . 8 VAL CG2 1 1
13 3410 1 1 8 VAL H H 2.465 -1.987 -0.599 1.00 . A A . 8 VAL H 1 1
13 3411 1 1 8 VAL HA H -0.348 -2.812 -0.475 1.00 . A A . 8 VAL HA 1 1
13 3412 1 1 8 VAL HB H 1.806 -4.512 0.717 1.00 . A A . 8 VAL HB 1 1
13 3413 1 1 8 VAL HG11 H -1.024 -4.473 0.887 1.00 . A A . 8 VAL HG11 1 1
13 3414 1 1 8 VAL HG12 H 0.115 -5.564 1.670 1.00 . A A . 8 VAL HG12 1 1
13 3415 1 1 8 VAL HG13 H -0.531 -5.958 0.077 1.00 . A A . 8 VAL HG13 1 1
13 3416 1 1 8 VAL HG21 H 0.966 -6.049 -1.305 1.00 . A A . 8 VAL HG21 1 1
13 3417 1 1 8 VAL HG22 H 2.363 -4.980 -1.432 1.00 . A A . 8 VAL HG22 1 1
13 3418 1 1 8 VAL HG23 H 0.798 -4.464 -2.059 1.00 . A A . 8 VAL HG23 1 1
13 3419 1 1 8 VAL N N 1.580 -2.235 -0.938 1.00 . A A . 8 VAL N 1 1
13 3420 1 1 8 VAL O O 1.689 -1.870 1.832 1.00 . A A . 8 VAL O 1 1
13 3421 1 1 9 ASP C C -0.791 -2.980 4.339 1.00 . A A . 9 ASP C 1 1
13 3422 1 1 9 ASP CA C -0.643 -1.834 3.338 1.00 . A A . 9 ASP CA 1 1
13 3423 1 1 9 ASP CB C -1.829 -0.866 3.461 1.00 . A A . 9 ASP CB 1 1
13 3424 1 1 9 ASP CG C -3.122 -1.400 2.869 1.00 . A A . 9 ASP CG 1 1
13 3425 1 1 9 ASP H H -1.276 -2.739 1.523 1.00 . A A . 9 ASP H 1 1
13 3426 1 1 9 ASP HA H 0.265 -1.297 3.573 1.00 . A A . 9 ASP HA 1 1
13 3427 1 1 9 ASP HB2 H -2.002 -0.660 4.507 1.00 . A A . 9 ASP HB2 1 1
13 3428 1 1 9 ASP HB3 H -1.582 0.058 2.961 1.00 . A A . 9 ASP HB3 1 1
13 3429 1 1 9 ASP N N -0.503 -2.348 1.977 1.00 . A A . 9 ASP N 1 1
13 3430 1 1 9 ASP O O -0.694 -2.775 5.548 1.00 . A A . 9 ASP O 1 1
13 3431 1 1 9 ASP OD1 O -3.214 -2.565 2.482 1.00 . A A . 9 ASP OD1 1 1
13 3432 1 1 10 PHE C C -2.199 -5.150 5.761 1.00 . A A . 10 PHE C 1 1
13 3433 1 1 10 PHE CA C -1.162 -5.370 4.667 1.00 . A A . 10 PHE CA 1 1
13 3434 1 1 10 PHE CB C 0.182 -5.744 5.295 1.00 . A A . 10 PHE CB 1 1
13 3435 1 1 10 PHE CD1 C 0.436 -8.057 4.355 1.00 . A A . 10 PHE CD1 1 1
13 3436 1 1 10 PHE CD2 C 0.495 -7.783 6.724 1.00 . A A . 10 PHE CD2 1 1
13 3437 1 1 10 PHE CE1 C 0.615 -9.419 4.505 1.00 . A A . 10 PHE CE1 1 1
13 3438 1 1 10 PHE CE2 C 0.673 -9.145 6.880 1.00 . A A . 10 PHE CE2 1 1
13 3439 1 1 10 PHE CG C 0.375 -7.225 5.461 1.00 . A A . 10 PHE CG 1 1
13 3440 1 1 10 PHE CZ C 0.733 -9.964 5.769 1.00 . A A . 10 PHE CZ 1 1
13 3441 1 1 10 PHE H H -1.074 -4.290 2.854 1.00 . A A . 10 PHE H 1 1
13 3442 1 1 10 PHE HA H -1.491 -6.184 4.038 1.00 . A A . 10 PHE HA 1 1
13 3443 1 1 10 PHE HB2 H 0.979 -5.374 4.668 1.00 . A A . 10 PHE HB2 1 1
13 3444 1 1 10 PHE HB3 H 0.255 -5.287 6.271 1.00 . A A . 10 PHE HB3 1 1
13 3445 1 1 10 PHE HD1 H 0.344 -7.632 3.367 1.00 . A A . 10 PHE HD1 1 1
13 3446 1 1 10 PHE HD2 H 0.448 -7.144 7.593 1.00 . A A . 10 PHE HD2 1 1
13 3447 1 1 10 PHE HE1 H 0.660 -10.058 3.635 1.00 . A A . 10 PHE HE1 1 1
13 3448 1 1 10 PHE HE2 H 0.766 -9.568 7.869 1.00 . A A . 10 PHE HE2 1 1
13 3449 1 1 10 PHE HZ H 0.873 -11.028 5.889 1.00 . A A . 10 PHE HZ 1 1
13 3450 1 1 10 PHE N N -1.014 -4.188 3.825 1.00 . A A . 10 PHE N 1 1
13 3451 1 1 10 PHE O O -2.084 -5.700 6.856 1.00 . A A . 10 PHE O 1 1
13 3452 1 1 11 ALA C C -5.482 -4.954 6.189 1.00 . A A . 11 ALA C 1 1
13 3453 1 1 11 ALA CA C -4.265 -4.069 6.428 1.00 . A A . 11 ALA CA 1 1
13 3454 1 1 11 ALA CB C -4.653 -2.599 6.388 1.00 . A A . 11 ALA CB 1 1
13 3455 1 1 11 ALA H H -3.256 -3.939 4.571 1.00 . A A . 11 ALA H 1 1
13 3456 1 1 11 ALA HA H -3.873 -4.288 7.407 1.00 . A A . 11 ALA HA 1 1
13 3457 1 1 11 ALA HB1 H -4.471 -2.205 5.399 1.00 . A A . 11 ALA HB1 1 1
13 3458 1 1 11 ALA HB2 H -4.063 -2.051 7.108 1.00 . A A . 11 ALA HB2 1 1
13 3459 1 1 11 ALA HB3 H -5.701 -2.496 6.629 1.00 . A A . 11 ALA HB3 1 1
13 3460 1 1 11 ALA N N -3.213 -4.348 5.460 1.00 . A A . 11 ALA N 1 1
13 3461 1 1 11 ALA O O -6.600 -4.607 6.569 1.00 . A A . 11 ALA O 1 1
13 3462 1 1 12 GLY C C -6.771 -7.012 3.836 1.00 . A A . 12 GLY C 1 1
13 3463 1 1 12 GLY CA C -6.339 -7.027 5.289 1.00 . A A . 12 GLY CA 1 1
13 3464 1 1 12 GLY H H -4.335 -6.323 5.287 1.00 . A A . 12 GLY H 1 1
13 3465 1 1 12 GLY HA2 H -6.018 -8.026 5.546 1.00 . A A . 12 GLY HA2 1 1
13 3466 1 1 12 GLY HA3 H -7.185 -6.764 5.907 1.00 . A A . 12 GLY HA3 1 1
13 3467 1 1 12 GLY N N -5.252 -6.102 5.563 1.00 . A A . 12 GLY N 1 1
13 3468 1 1 12 GLY O O -7.427 -7.942 3.367 1.00 . A A . 12 GLY O 1 1
13 3469 1 1 13 CYS C C -5.553 -6.233 0.850 1.00 . A A . 13 CYS C 1 1
13 3470 1 1 13 CYS CA C -6.739 -5.829 1.710 1.00 . A A . 13 CYS CA 1 1
13 3471 1 1 13 CYS CB C -7.156 -4.392 1.382 1.00 . A A . 13 CYS CB 1 1
13 3472 1 1 13 CYS H H -5.867 -5.256 3.548 1.00 . A A . 13 CYS H 1 1
13 3473 1 1 13 CYS HA H -7.565 -6.495 1.505 1.00 . A A . 13 CYS HA 1 1
13 3474 1 1 13 CYS HB2 H -6.271 -3.807 1.179 1.00 . A A . 13 CYS HB2 1 1
13 3475 1 1 13 CYS HB3 H -7.782 -4.401 0.501 1.00 . A A . 13 CYS HB3 1 1
13 3476 1 1 13 CYS N N -6.395 -5.959 3.120 1.00 . A A . 13 CYS N 1 1
13 3477 1 1 13 CYS O O -5.693 -6.986 -0.114 1.00 . A A . 13 CYS O 1 1
13 3478 1 1 13 CYS SG S -8.079 -3.550 2.710 1.00 . A A . 13 CYS SG 1 1
13 3479 1 1 14 GLY C C -2.872 -5.035 -0.607 1.00 . A A . 14 GLY C 1 1
13 3480 1 1 14 GLY CA C -3.176 -6.044 0.481 1.00 . A A . 14 GLY CA 1 1
13 3481 1 1 14 GLY H H -4.336 -5.136 1.995 1.00 . A A . 14 GLY H 1 1
13 3482 1 1 14 GLY HA2 H -2.349 -6.075 1.172 1.00 . A A . 14 GLY HA2 1 1
13 3483 1 1 14 GLY HA3 H -3.290 -7.019 0.030 1.00 . A A . 14 GLY HA3 1 1
13 3484 1 1 14 GLY N N -4.381 -5.727 1.215 1.00 . A A . 14 GLY N 1 1
13 3485 1 1 14 GLY O O -2.362 -5.396 -1.668 1.00 . A A . 14 GLY O 1 1
13 3486 1 1 15 TYR C C -2.662 -1.363 -0.696 1.00 . A A . 15 TYR C 1 1
13 3487 1 1 15 TYR CA C -2.934 -2.723 -1.341 1.00 . A A . 15 TYR CA 1 1
13 3488 1 1 15 TYR CB C -4.116 -2.614 -2.302 1.00 . A A . 15 TYR CB 1 1
13 3489 1 1 15 TYR CD1 C -5.554 -4.689 -2.274 1.00 . A A . 15 TYR CD1 1 1
13 3490 1 1 15 TYR CD2 C -3.963 -4.446 -4.033 1.00 . A A . 15 TYR CD2 1 1
13 3491 1 1 15 TYR CE1 C -5.956 -5.902 -2.799 1.00 . A A . 15 TYR CE1 1 1
13 3492 1 1 15 TYR CE2 C -4.359 -5.659 -4.564 1.00 . A A . 15 TYR CE2 1 1
13 3493 1 1 15 TYR CG C -4.553 -3.941 -2.880 1.00 . A A . 15 TYR CG 1 1
13 3494 1 1 15 TYR CZ C -5.355 -6.382 -3.944 1.00 . A A . 15 TYR CZ 1 1
13 3495 1 1 15 TYR H H -3.592 -3.530 0.506 1.00 . A A . 15 TYR H 1 1
13 3496 1 1 15 TYR HA H -2.060 -3.013 -1.902 1.00 . A A . 15 TYR HA 1 1
13 3497 1 1 15 TYR HB2 H -4.958 -2.189 -1.778 1.00 . A A . 15 TYR HB2 1 1
13 3498 1 1 15 TYR HB3 H -3.845 -1.967 -3.123 1.00 . A A . 15 TYR HB3 1 1
13 3499 1 1 15 TYR HD1 H -6.023 -4.310 -1.378 1.00 . A A . 15 TYR HD1 1 1
13 3500 1 1 15 TYR HD2 H -3.182 -3.877 -4.515 1.00 . A A . 15 TYR HD2 1 1
13 3501 1 1 15 TYR HE1 H -6.736 -6.469 -2.314 1.00 . A A . 15 TYR HE1 1 1
13 3502 1 1 15 TYR HE2 H -3.889 -6.034 -5.461 1.00 . A A . 15 TYR HE2 1 1
13 3503 1 1 15 TYR HH H -6.690 -7.557 -4.676 1.00 . A A . 15 TYR HH 1 1
13 3504 1 1 15 TYR N N -3.185 -3.765 -0.354 1.00 . A A . 15 TYR N 1 1
13 3505 1 1 15 TYR O O -3.456 -0.864 0.100 1.00 . A A . 15 TYR O 1 1
13 3506 1 1 15 TYR OH O -5.753 -7.590 -4.471 1.00 . A A . 15 TYR OH 1 1
13 3507 1 1 16 ALA C C -0.413 1.331 -1.658 1.00 . A A . 16 ALA C 1 1
13 3508 1 1 16 ALA CA C -1.126 0.540 -0.573 1.00 . A A . 16 ALA CA 1 1
13 3509 1 1 16 ALA CB C -0.223 0.397 0.638 1.00 . A A . 16 ALA CB 1 1
13 3510 1 1 16 ALA H H -0.960 -1.229 -1.714 1.00 . A A . 16 ALA H 1 1
13 3511 1 1 16 ALA HA H -2.007 1.083 -0.274 1.00 . A A . 16 ALA HA 1 1
13 3512 1 1 16 ALA HB1 H 0.716 -0.045 0.338 1.00 . A A . 16 ALA HB1 1 1
13 3513 1 1 16 ALA HB2 H -0.700 -0.234 1.367 1.00 . A A . 16 ALA HB2 1 1
13 3514 1 1 16 ALA HB3 H -0.041 1.370 1.069 1.00 . A A . 16 ALA HB3 1 1
13 3515 1 1 16 ALA N N -1.534 -0.771 -1.072 1.00 . A A . 16 ALA N 1 1
13 3516 1 1 16 ALA O O 0.353 0.774 -2.444 1.00 . A A . 16 ALA O 1 1
13 3517 1 1 17 VAL C C 1.312 4.021 -2.120 1.00 . A A . 17 VAL C 1 1
13 3518 1 1 17 VAL CA C -0.014 3.501 -2.665 1.00 . A A . 17 VAL CA 1 1
13 3519 1 1 17 VAL CB C -0.913 4.696 -3.040 1.00 . A A . 17 VAL CB 1 1
13 3520 1 1 17 VAL CG1 C -0.262 5.539 -4.127 1.00 . A A . 17 VAL CG1 1 1
13 3521 1 1 17 VAL CG2 C -2.284 4.212 -3.485 1.00 . A A . 17 VAL CG2 1 1
13 3522 1 1 17 VAL H H -1.262 3.025 -1.026 1.00 . A A . 17 VAL H 1 1
13 3523 1 1 17 VAL HA H 0.174 2.919 -3.556 1.00 . A A . 17 VAL HA 1 1
13 3524 1 1 17 VAL HB H -1.040 5.314 -2.164 1.00 . A A . 17 VAL HB 1 1
13 3525 1 1 17 VAL HG11 H 0.307 4.900 -4.786 1.00 . A A . 17 VAL HG11 1 1
13 3526 1 1 17 VAL HG12 H 0.396 6.266 -3.674 1.00 . A A . 17 VAL HG12 1 1
13 3527 1 1 17 VAL HG13 H -1.027 6.049 -4.693 1.00 . A A . 17 VAL HG13 1 1
13 3528 1 1 17 VAL HG21 H -3.045 4.856 -3.069 1.00 . A A . 17 VAL HG21 1 1
13 3529 1 1 17 VAL HG22 H -2.439 3.201 -3.140 1.00 . A A . 17 VAL HG22 1 1
13 3530 1 1 17 VAL HG23 H -2.340 4.237 -4.563 1.00 . A A . 17 VAL HG23 1 1
13 3531 1 1 17 VAL N N -0.653 2.635 -1.686 1.00 . A A . 17 VAL N 1 1
13 3532 1 1 17 VAL O O 2.001 4.805 -2.773 1.00 . A A . 17 VAL O 1 1
13 3533 1 1 18 VAL C C 3.813 2.783 -0.024 1.00 . A A . 18 VAL C 1 1
13 3534 1 1 18 VAL CA C 2.911 3.985 -0.281 1.00 . A A . 18 VAL CA 1 1
13 3535 1 1 18 VAL CB C 2.647 4.740 1.043 1.00 . A A . 18 VAL CB 1 1
13 3536 1 1 18 VAL CG1 C 1.525 4.078 1.828 1.00 . A A . 18 VAL CG1 1 1
13 3537 1 1 18 VAL CG2 C 3.908 4.847 1.895 1.00 . A A . 18 VAL CG2 1 1
13 3538 1 1 18 VAL H H 1.072 2.941 -0.445 1.00 . A A . 18 VAL H 1 1
13 3539 1 1 18 VAL HA H 3.418 4.658 -0.958 1.00 . A A . 18 VAL HA 1 1
13 3540 1 1 18 VAL HB H 2.335 5.740 0.792 1.00 . A A . 18 VAL HB 1 1
13 3541 1 1 18 VAL HG11 H 0.629 4.055 1.225 1.00 . A A . 18 VAL HG11 1 1
13 3542 1 1 18 VAL HG12 H 1.337 4.640 2.731 1.00 . A A . 18 VAL HG12 1 1
13 3543 1 1 18 VAL HG13 H 1.812 3.069 2.085 1.00 . A A . 18 VAL HG13 1 1
13 3544 1 1 18 VAL HG21 H 4.679 5.354 1.335 1.00 . A A . 18 VAL HG21 1 1
13 3545 1 1 18 VAL HG22 H 4.248 3.858 2.163 1.00 . A A . 18 VAL HG22 1 1
13 3546 1 1 18 VAL HG23 H 3.689 5.407 2.792 1.00 . A A . 18 VAL HG23 1 1
13 3547 1 1 18 VAL N N 1.665 3.571 -0.916 1.00 . A A . 18 VAL N 1 1
13 3548 1 1 18 VAL O O 3.353 1.641 0.011 1.00 . A A . 18 VAL O 1 1
13 3549 1 1 19 CYS C C 7.111 2.447 1.426 1.00 . A A . 19 CYS C 1 1
13 3550 1 1 19 CYS CA C 6.075 2.000 0.403 1.00 . A A . 19 CYS CA 1 1
13 3551 1 1 19 CYS CB C 6.769 1.595 -0.899 1.00 . A A . 19 CYS CB 1 1
13 3552 1 1 19 CYS H H 5.395 3.987 0.110 1.00 . A A . 19 CYS H 1 1
13 3553 1 1 19 CYS HA H 5.547 1.149 0.797 1.00 . A A . 19 CYS HA 1 1
13 3554 1 1 19 CYS HB2 H 7.481 2.359 -1.171 1.00 . A A . 19 CYS HB2 1 1
13 3555 1 1 19 CYS HB3 H 7.291 0.662 -0.744 1.00 . A A . 19 CYS HB3 1 1
13 3556 1 1 19 CYS N N 5.098 3.053 0.151 1.00 . A A . 19 CYS N 1 1
13 3557 1 1 19 CYS O O 7.312 1.793 2.450 1.00 . A A . 19 CYS O 1 1
13 3558 1 1 19 CYS SG S 5.636 1.369 -2.308 1.00 . A A . 19 CYS SG 1 1
13 3559 1 1 20 PHE C C 8.226 5.230 2.902 1.00 . A A . 20 PHE C 1 1
13 3560 1 1 20 PHE CA C 8.786 4.102 2.032 1.00 . A A . 20 PHE CA 1 1
13 3561 1 1 20 PHE CB C 9.985 4.607 1.221 1.00 . A A . 20 PHE CB 1 1
13 3562 1 1 20 PHE CD1 C 8.983 6.125 -0.513 1.00 . A A . 20 PHE CD1 1 1
13 3563 1 1 20 PHE CD2 C 10.379 7.086 1.164 1.00 . A A . 20 PHE CD2 1 1
13 3564 1 1 20 PHE CE1 C 8.791 7.374 -1.073 1.00 . A A . 20 PHE CE1 1 1
13 3565 1 1 20 PHE CE2 C 10.190 8.337 0.609 1.00 . A A . 20 PHE CE2 1 1
13 3566 1 1 20 PHE CG C 9.778 5.967 0.610 1.00 . A A . 20 PHE CG 1 1
13 3567 1 1 20 PHE CZ C 9.395 8.482 -0.511 1.00 . A A . 20 PHE CZ 1 1
13 3568 1 1 20 PHE H H 7.559 4.034 0.308 1.00 . A A . 20 PHE H 1 1
13 3569 1 1 20 PHE HA H 9.115 3.301 2.677 1.00 . A A . 20 PHE HA 1 1
13 3570 1 1 20 PHE HB2 H 10.849 4.663 1.866 1.00 . A A . 20 PHE HB2 1 1
13 3571 1 1 20 PHE HB3 H 10.186 3.911 0.420 1.00 . A A . 20 PHE HB3 1 1
13 3572 1 1 20 PHE HD1 H 8.509 5.259 -0.953 1.00 . A A . 20 PHE HD1 1 1
13 3573 1 1 20 PHE HD2 H 11.001 6.975 2.040 1.00 . A A . 20 PHE HD2 1 1
13 3574 1 1 20 PHE HE1 H 8.169 7.484 -1.949 1.00 . A A . 20 PHE HE1 1 1
13 3575 1 1 20 PHE HE2 H 10.664 9.202 1.050 1.00 . A A . 20 PHE HE2 1 1
13 3576 1 1 20 PHE HZ H 9.247 9.458 -0.947 1.00 . A A . 20 PHE HZ 1 1
13 3577 1 1 20 PHE N N 7.766 3.563 1.140 1.00 . A A . 20 PHE N 1 1
13 3578 1 1 20 PHE O O 8.979 5.921 3.588 1.00 . A A . 20 PHE O 1 1
13 3579 1 1 21 DTR C C 5.841 5.935 5.026 1.00 . A A . 21 DTR C 1 1
13 3580 1 1 21 DTR CA C 6.224 6.449 3.643 1.00 . A A . 21 DTR CA 1 1
13 3581 1 1 21 DTR CB C 7.092 7.708 3.768 1.00 . A A . 21 DTR CB 1 1
13 3582 1 1 21 DTR CD1 C 6.025 9.666 2.507 1.00 . A A . 21 DTR CD1 1 1
13 3583 1 1 21 DTR CD2 C 5.720 9.726 4.724 1.00 . A A . 21 DTR CD2 1 1
13 3584 1 1 21 DTR CE2 C 5.091 10.849 4.154 1.00 . A A . 21 DTR CE2 1 1
13 3585 1 1 21 DTR CE3 C 5.660 9.552 6.109 1.00 . A A . 21 DTR CE3 1 1
13 3586 1 1 21 DTR CG C 6.312 8.982 3.653 1.00 . A A . 21 DTR CG 1 1
13 3587 1 1 21 DTR CH2 C 4.369 11.596 6.274 1.00 . A A . 21 DTR CH2 1 1
13 3588 1 1 21 DTR CZ2 C 4.412 11.792 4.921 1.00 . A A . 21 DTR CZ2 1 1
13 3589 1 1 21 DTR CZ3 C 4.986 10.489 6.870 1.00 . A A . 21 DTR CZ3 1 1
13 3590 1 1 21 DTR H H 6.361 4.820 2.299 1.00 . A A . 21 DTR H 1 1
13 3591 1 1 21 DTR HA H 5.318 6.706 3.114 1.00 . A A . 21 DTR HA 1 1
13 3592 1 1 21 DTR HB2 H 7.584 7.704 4.729 1.00 . A A . 21 DTR HB2 1 1
13 3593 1 1 21 DTR HB3 H 7.837 7.701 2.986 1.00 . A A . 21 DTR HB3 1 1
13 3594 1 1 21 DTR HD1 H 6.337 9.358 1.520 1.00 . A A . 21 DTR HD1 1 1
13 3595 1 1 21 DTR HE1 H 4.965 11.443 2.145 1.00 . A A . 21 DTR HE1 1 1
13 3596 1 1 21 DTR HE3 H 6.129 8.704 6.587 1.00 . A A . 21 DTR HE3 1 1
13 3597 1 1 21 DTR HH2 H 3.854 12.303 6.907 1.00 . A A . 21 DTR HH2 1 1
13 3598 1 1 21 DTR HZ2 H 3.931 12.651 4.477 1.00 . A A . 21 DTR HZ2 1 1
13 3599 1 1 21 DTR HZ3 H 4.929 10.371 7.942 1.00 . A A . 21 DTR HZ3 1 1
13 3600 1 1 21 DTR N N 6.901 5.407 2.866 1.00 . A A . 21 DTR N 1 1
13 3601 1 1 21 DTR NE1 N 5.291 10.790 2.799 1.00 . A A . 21 DTR NE1 1 1
14 3602 1 1 1 CYS C C -6.099 -0.091 1.232 1.00 . A A . 1 CYS C 1 1
14 3603 1 1 1 CYS CA C -5.459 -1.222 2.040 1.00 . A A . 1 CYS CA 1 1
14 3604 1 1 1 CYS CB C -6.423 -1.707 3.133 1.00 . A A . 1 CYS CB 1 1
14 3605 1 1 1 CYS H1 H -4.079 0.192 2.607 1.00 . A A . 1 CYS H1 1 1
14 3606 1 1 1 CYS HA H -5.238 -2.043 1.376 1.00 . A A . 1 CYS HA 1 1
14 3607 1 1 1 CYS HB2 H -6.128 -2.697 3.445 1.00 . A A . 1 CYS HB2 1 1
14 3608 1 1 1 CYS HB3 H -6.359 -1.037 3.978 1.00 . A A . 1 CYS HB3 1 1
14 3609 1 1 1 CYS N N -4.203 -0.779 2.642 1.00 . A A . 1 CYS N 1 1
14 3610 1 1 1 CYS O O -6.741 0.798 1.791 1.00 . A A . 1 CYS O 1 1
14 3611 1 1 1 CYS SG S -8.175 -1.791 2.624 1.00 . A A . 1 CYS SG 1 1
14 3612 1 1 2 LEU C C -6.780 0.311 -2.345 1.00 . A A . 2 LEU C 1 1
14 3613 1 1 2 LEU CA C -6.470 0.888 -0.967 1.00 . A A . 2 LEU CA 1 1
14 3614 1 1 2 LEU CB C -5.496 2.061 -1.094 1.00 . A A . 2 LEU CB 1 1
14 3615 1 1 2 LEU CD1 C -3.998 3.735 0.022 1.00 . A A . 2 LEU CD1 1 1
14 3616 1 1 2 LEU CD2 C -6.331 3.400 0.855 1.00 . A A . 2 LEU CD2 1 1
14 3617 1 1 2 LEU CG C -5.117 2.728 0.231 1.00 . A A . 2 LEU CG 1 1
14 3618 1 1 2 LEU H H -5.392 -0.864 -0.470 1.00 . A A . 2 LEU H 1 1
14 3619 1 1 2 LEU HA H -7.388 1.243 -0.529 1.00 . A A . 2 LEU HA 1 1
14 3620 1 1 2 LEU HB2 H -4.593 1.703 -1.566 1.00 . A A . 2 LEU HB2 1 1
14 3621 1 1 2 LEU HB3 H -5.945 2.808 -1.731 1.00 . A A . 2 LEU HB3 1 1
14 3622 1 1 2 LEU HD11 H -4.400 4.633 -0.423 1.00 . A A . 2 LEU HD11 1 1
14 3623 1 1 2 LEU HD12 H -3.251 3.311 -0.633 1.00 . A A . 2 LEU HD12 1 1
14 3624 1 1 2 LEU HD13 H -3.548 3.975 0.974 1.00 . A A . 2 LEU HD13 1 1
14 3625 1 1 2 LEU HD21 H -6.310 3.258 1.926 1.00 . A A . 2 LEU HD21 1 1
14 3626 1 1 2 LEU HD22 H -7.233 2.963 0.452 1.00 . A A . 2 LEU HD22 1 1
14 3627 1 1 2 LEU HD23 H -6.313 4.457 0.632 1.00 . A A . 2 LEU HD23 1 1
14 3628 1 1 2 LEU HG H -4.762 1.974 0.917 1.00 . A A . 2 LEU HG 1 1
14 3629 1 1 2 LEU N N -5.915 -0.131 -0.084 1.00 . A A . 2 LEU N 1 1
14 3630 1 1 2 LEU O O -6.415 -0.824 -2.650 1.00 . A A . 2 LEU O 1 1
14 3631 1 1 3 GLY C C -6.631 0.681 -5.468 1.00 . A A . 3 GLY C 1 1
14 3632 1 1 3 GLY CA C -7.807 0.651 -4.507 1.00 . A A . 3 GLY CA 1 1
14 3633 1 1 3 GLY H H -7.723 1.995 -2.873 1.00 . A A . 3 GLY H 1 1
14 3634 1 1 3 GLY HA2 H -8.181 -0.361 -4.447 1.00 . A A . 3 GLY HA2 1 1
14 3635 1 1 3 GLY HA3 H -8.589 1.288 -4.894 1.00 . A A . 3 GLY HA3 1 1
14 3636 1 1 3 GLY N N -7.457 1.100 -3.172 1.00 . A A . 3 GLY N 1 1
14 3637 1 1 3 GLY O O -6.761 0.283 -6.626 1.00 . A A . 3 GLY O 1 1
14 3638 1 1 4 VAL C C -3.469 -0.058 -5.726 1.00 . A A . 4 VAL C 1 1
14 3639 1 1 4 VAL CA C -4.285 1.229 -5.825 1.00 . A A . 4 VAL CA 1 1
14 3640 1 1 4 VAL CB C -3.401 2.428 -5.427 1.00 . A A . 4 VAL CB 1 1
14 3641 1 1 4 VAL CG1 C -2.364 2.713 -6.502 1.00 . A A . 4 VAL CG1 1 1
14 3642 1 1 4 VAL CG2 C -4.259 3.658 -5.170 1.00 . A A . 4 VAL CG2 1 1
14 3643 1 1 4 VAL H H -5.436 1.456 -4.060 1.00 . A A . 4 VAL H 1 1
14 3644 1 1 4 VAL HA H -4.601 1.364 -6.849 1.00 . A A . 4 VAL HA 1 1
14 3645 1 1 4 VAL HB H -2.882 2.179 -4.514 1.00 . A A . 4 VAL HB 1 1
14 3646 1 1 4 VAL HG11 H -2.780 2.491 -7.473 1.00 . A A . 4 VAL HG11 1 1
14 3647 1 1 4 VAL HG12 H -1.493 2.097 -6.334 1.00 . A A . 4 VAL HG12 1 1
14 3648 1 1 4 VAL HG13 H -2.081 3.755 -6.461 1.00 . A A . 4 VAL HG13 1 1
14 3649 1 1 4 VAL HG21 H -3.707 4.545 -5.441 1.00 . A A . 4 VAL HG21 1 1
14 3650 1 1 4 VAL HG22 H -4.521 3.702 -4.123 1.00 . A A . 4 VAL HG22 1 1
14 3651 1 1 4 VAL HG23 H -5.160 3.599 -5.764 1.00 . A A . 4 VAL HG23 1 1
14 3652 1 1 4 VAL N N -5.482 1.152 -4.992 1.00 . A A . 4 VAL N 1 1
14 3653 1 1 4 VAL O O -3.697 -0.876 -4.837 1.00 . A A . 4 VAL O 1 1
14 3654 1 1 5 GLY C C -0.233 -1.170 -6.854 1.00 . A A . 5 GLY C 1 1
14 3655 1 1 5 GLY CA C -1.712 -1.442 -6.639 1.00 . A A . 5 GLY CA 1 1
14 3656 1 1 5 GLY H H -2.394 0.435 -7.340 1.00 . A A . 5 GLY H 1 1
14 3657 1 1 5 GLY HA2 H -1.836 -1.937 -5.688 1.00 . A A . 5 GLY HA2 1 1
14 3658 1 1 5 GLY HA3 H -2.060 -2.101 -7.420 1.00 . A A . 5 GLY HA3 1 1
14 3659 1 1 5 GLY N N -2.528 -0.241 -6.648 1.00 . A A . 5 GLY N 1 1
14 3660 1 1 5 GLY O O 0.442 -1.923 -7.557 1.00 . A A . 5 GLY O 1 1
14 3661 1 1 6 SER C C 2.492 -0.423 -5.243 1.00 . A A . 6 SER C 1 1
14 3662 1 1 6 SER CA C 1.695 0.232 -6.368 1.00 . A A . 6 SER CA 1 1
14 3663 1 1 6 SER CB C 1.886 1.749 -6.333 1.00 . A A . 6 SER CB 1 1
14 3664 1 1 6 SER H H -0.299 0.454 -5.681 1.00 . A A . 6 SER H 1 1
14 3665 1 1 6 SER HA H 2.047 -0.150 -7.315 1.00 . A A . 6 SER HA 1 1
14 3666 1 1 6 SER HB2 H 1.998 2.073 -5.309 1.00 . A A . 6 SER HB2 1 1
14 3667 1 1 6 SER HB3 H 2.771 2.011 -6.893 1.00 . A A . 6 SER HB3 1 1
14 3668 1 1 6 SER HG H 0.637 3.254 -6.454 1.00 . A A . 6 SER HG 1 1
14 3669 1 1 6 SER N N 0.281 -0.108 -6.241 1.00 . A A . 6 SER N 1 1
14 3670 1 1 6 SER O O 3.639 -0.829 -5.423 1.00 . A A . 6 SER O 1 1
14 3671 1 1 6 SER OG O 0.772 2.416 -6.902 1.00 . A A . 6 SER OG 1 1
14 3672 1 1 7 CYS C C 1.339 -1.751 -2.061 1.00 . A A . 7 CYS C 1 1
14 3673 1 1 7 CYS CA C 2.451 -1.130 -2.903 1.00 . A A . 7 CYS CA 1 1
14 3674 1 1 7 CYS CB C 3.216 -0.066 -2.103 1.00 . A A . 7 CYS CB 1 1
14 3675 1 1 7 CYS H H 0.937 -0.182 -4.023 1.00 . A A . 7 CYS H 1 1
14 3676 1 1 7 CYS HA H 3.132 -1.905 -3.222 1.00 . A A . 7 CYS HA 1 1
14 3677 1 1 7 CYS HB2 H 3.807 0.526 -2.785 1.00 . A A . 7 CYS HB2 1 1
14 3678 1 1 7 CYS HB3 H 2.502 0.575 -1.609 1.00 . A A . 7 CYS HB3 1 1
14 3679 1 1 7 CYS N N 1.853 -0.524 -4.085 1.00 . A A . 7 CYS N 1 1
14 3680 1 1 7 CYS O O 0.172 -1.672 -2.436 1.00 . A A . 7 CYS O 1 1
14 3681 1 1 7 CYS SG S 4.345 -0.726 -0.830 1.00 . A A . 7 CYS SG 1 1
14 3682 1 1 8 VAL C C 0.668 -2.370 1.305 1.00 . A A . 8 VAL C 1 1
14 3683 1 1 8 VAL CA C 0.675 -2.990 -0.084 1.00 . A A . 8 VAL CA 1 1
14 3684 1 1 8 VAL CB C 0.902 -4.502 0.069 1.00 . A A . 8 VAL CB 1 1
14 3685 1 1 8 VAL CG1 C -0.314 -5.176 0.686 1.00 . A A . 8 VAL CG1 1 1
14 3686 1 1 8 VAL CG2 C 1.255 -5.137 -1.267 1.00 . A A . 8 VAL CG2 1 1
14 3687 1 1 8 VAL H H 2.623 -2.422 -0.681 1.00 . A A . 8 VAL H 1 1
14 3688 1 1 8 VAL HA H -0.292 -2.837 -0.541 1.00 . A A . 8 VAL HA 1 1
14 3689 1 1 8 VAL HB H 1.729 -4.641 0.739 1.00 . A A . 8 VAL HB 1 1
14 3690 1 1 8 VAL HG11 H -0.041 -5.607 1.639 1.00 . A A . 8 VAL HG11 1 1
14 3691 1 1 8 VAL HG12 H -0.669 -5.956 0.029 1.00 . A A . 8 VAL HG12 1 1
14 3692 1 1 8 VAL HG13 H -1.095 -4.448 0.833 1.00 . A A . 8 VAL HG13 1 1
14 3693 1 1 8 VAL HG21 H 0.660 -4.685 -2.048 1.00 . A A . 8 VAL HG21 1 1
14 3694 1 1 8 VAL HG22 H 1.051 -6.196 -1.227 1.00 . A A . 8 VAL HG22 1 1
14 3695 1 1 8 VAL HG23 H 2.303 -4.979 -1.475 1.00 . A A . 8 VAL HG23 1 1
14 3696 1 1 8 VAL N N 1.683 -2.372 -0.939 1.00 . A A . 8 VAL N 1 1
14 3697 1 1 8 VAL O O 1.696 -1.908 1.801 1.00 . A A . 8 VAL O 1 1
14 3698 1 1 9 ASP C C -0.726 -2.961 4.306 1.00 . A A . 9 ASP C 1 1
14 3699 1 1 9 ASP CA C -0.656 -1.837 3.276 1.00 . A A . 9 ASP CA 1 1
14 3700 1 1 9 ASP CB C -1.908 -0.955 3.377 1.00 . A A . 9 ASP CB 1 1
14 3701 1 1 9 ASP CG C -3.132 -1.569 2.721 1.00 . A A . 9 ASP CG 1 1
14 3702 1 1 9 ASP H H -1.270 -2.774 1.478 1.00 . A A . 9 ASP H 1 1
14 3703 1 1 9 ASP HA H 0.214 -1.232 3.486 1.00 . A A . 9 ASP HA 1 1
14 3704 1 1 9 ASP HB2 H -2.135 -0.789 4.420 1.00 . A A . 9 ASP HB2 1 1
14 3705 1 1 9 ASP HB3 H -1.709 -0.004 2.906 1.00 . A A . 9 ASP HB3 1 1
14 3706 1 1 9 ASP N N -0.500 -2.380 1.930 1.00 . A A . 9 ASP N 1 1
14 3707 1 1 9 ASP O O -0.498 -2.741 5.495 1.00 . A A . 9 ASP O 1 1
14 3708 1 1 9 ASP OD1 O -3.114 -2.725 2.297 1.00 . A A . 9 ASP OD1 1 1
14 3709 1 1 10 PHE C C -2.199 -5.110 5.788 1.00 . A A . 10 PHE C 1 1
14 3710 1 1 10 PHE CA C -1.136 -5.325 4.720 1.00 . A A . 10 PHE CA 1 1
14 3711 1 1 10 PHE CB C 0.214 -5.607 5.378 1.00 . A A . 10 PHE CB 1 1
14 3712 1 1 10 PHE CD1 C 0.957 -7.127 3.526 1.00 . A A . 10 PHE CD1 1 1
14 3713 1 1 10 PHE CD2 C 2.528 -5.566 4.410 1.00 . A A . 10 PHE CD2 1 1
14 3714 1 1 10 PHE CE1 C 1.912 -7.592 2.642 1.00 . A A . 10 PHE CE1 1 1
14 3715 1 1 10 PHE CE2 C 3.488 -6.027 3.529 1.00 . A A . 10 PHE CE2 1 1
14 3716 1 1 10 PHE CG C 1.254 -6.110 4.419 1.00 . A A . 10 PHE CG 1 1
14 3717 1 1 10 PHE CZ C 3.179 -7.041 2.643 1.00 . A A . 10 PHE CZ 1 1
14 3718 1 1 10 PHE H H -1.210 -4.283 2.883 1.00 . A A . 10 PHE H 1 1
14 3719 1 1 10 PHE HA H -1.418 -6.175 4.117 1.00 . A A . 10 PHE HA 1 1
14 3720 1 1 10 PHE HB2 H 0.585 -4.698 5.824 1.00 . A A . 10 PHE HB2 1 1
14 3721 1 1 10 PHE HB3 H 0.081 -6.353 6.148 1.00 . A A . 10 PHE HB3 1 1
14 3722 1 1 10 PHE HD1 H -0.033 -7.558 3.524 1.00 . A A . 10 PHE HD1 1 1
14 3723 1 1 10 PHE HD2 H 2.771 -4.773 5.103 1.00 . A A . 10 PHE HD2 1 1
14 3724 1 1 10 PHE HE1 H 1.668 -8.385 1.950 1.00 . A A . 10 PHE HE1 1 1
14 3725 1 1 10 PHE HE2 H 4.477 -5.595 3.532 1.00 . A A . 10 PHE HE2 1 1
14 3726 1 1 10 PHE HZ H 3.927 -7.403 1.953 1.00 . A A . 10 PHE HZ 1 1
14 3727 1 1 10 PHE N N -1.040 -4.168 3.840 1.00 . A A . 10 PHE N 1 1
14 3728 1 1 10 PHE O O -2.090 -5.627 6.900 1.00 . A A . 10 PHE O 1 1
14 3729 1 1 11 ALA C C -5.500 -4.987 6.120 1.00 . A A . 11 ALA C 1 1
14 3730 1 1 11 ALA CA C -4.312 -4.070 6.376 1.00 . A A . 11 ALA CA 1 1
14 3731 1 1 11 ALA CB C -4.733 -2.611 6.284 1.00 . A A . 11 ALA CB 1 1
14 3732 1 1 11 ALA H H -3.262 -3.965 4.543 1.00 . A A . 11 ALA H 1 1
14 3733 1 1 11 ALA HA H -3.944 -4.253 7.373 1.00 . A A . 11 ALA HA 1 1
14 3734 1 1 11 ALA HB1 H -5.397 -2.375 7.102 1.00 . A A . 11 ALA HB1 1 1
14 3735 1 1 11 ALA HB2 H -5.242 -2.441 5.347 1.00 . A A . 11 ALA HB2 1 1
14 3736 1 1 11 ALA HB3 H -3.858 -1.980 6.338 1.00 . A A . 11 ALA HB3 1 1
14 3737 1 1 11 ALA N N -3.229 -4.347 5.444 1.00 . A A . 11 ALA N 1 1
14 3738 1 1 11 ALA O O -6.643 -4.641 6.419 1.00 . A A . 11 ALA O 1 1
14 3739 1 1 12 GLY C C -6.645 -7.137 3.809 1.00 . A A . 12 GLY C 1 1
14 3740 1 1 12 GLY CA C -6.272 -7.115 5.276 1.00 . A A . 12 GLY CA 1 1
14 3741 1 1 12 GLY H H -4.286 -6.376 5.349 1.00 . A A . 12 GLY H 1 1
14 3742 1 1 12 GLY HA2 H -5.938 -8.100 5.566 1.00 . A A . 12 GLY HA2 1 1
14 3743 1 1 12 GLY HA3 H -7.146 -6.857 5.855 1.00 . A A . 12 GLY HA3 1 1
14 3744 1 1 12 GLY N N -5.219 -6.159 5.564 1.00 . A A . 12 GLY N 1 1
14 3745 1 1 12 GLY O O -6.994 -8.184 3.264 1.00 . A A . 12 GLY O 1 1
14 3746 1 1 13 CYS C C -5.685 -6.239 0.899 1.00 . A A . 13 CYS C 1 1
14 3747 1 1 13 CYS CA C -6.892 -5.868 1.749 1.00 . A A . 13 CYS CA 1 1
14 3748 1 1 13 CYS CB C -7.355 -4.450 1.418 1.00 . A A . 13 CYS CB 1 1
14 3749 1 1 13 CYS H H -6.276 -5.178 3.653 1.00 . A A . 13 CYS H 1 1
14 3750 1 1 13 CYS HA H -7.694 -6.560 1.538 1.00 . A A . 13 CYS HA 1 1
14 3751 1 1 13 CYS HB2 H -6.501 -3.789 1.421 1.00 . A A . 13 CYS HB2 1 1
14 3752 1 1 13 CYS HB3 H -7.805 -4.445 0.436 1.00 . A A . 13 CYS HB3 1 1
14 3753 1 1 13 CYS N N -6.566 -5.978 3.165 1.00 . A A . 13 CYS N 1 1
14 3754 1 1 13 CYS O O -5.787 -7.041 -0.029 1.00 . A A . 13 CYS O 1 1
14 3755 1 1 13 CYS SG S -8.578 -3.780 2.591 1.00 . A A . 13 CYS SG 1 1
14 3756 1 1 14 GLY C C -3.022 -4.941 -0.588 1.00 . A A . 14 GLY C 1 1
14 3757 1 1 14 GLY CA C -3.320 -5.950 0.505 1.00 . A A . 14 GLY CA 1 1
14 3758 1 1 14 GLY H H -4.516 -5.037 1.991 1.00 . A A . 14 GLY H 1 1
14 3759 1 1 14 GLY HA2 H -2.498 -5.963 1.201 1.00 . A A . 14 GLY HA2 1 1
14 3760 1 1 14 GLY HA3 H -3.411 -6.929 0.058 1.00 . A A . 14 GLY HA3 1 1
14 3761 1 1 14 GLY N N -4.537 -5.659 1.234 1.00 . A A . 14 GLY N 1 1
14 3762 1 1 14 GLY O O -2.536 -5.308 -1.658 1.00 . A A . 14 GLY O 1 1
14 3763 1 1 15 TYR C C -2.743 -1.279 -0.658 1.00 . A A . 15 TYR C 1 1
14 3764 1 1 15 TYR CA C -3.051 -2.624 -1.315 1.00 . A A . 15 TYR CA 1 1
14 3765 1 1 15 TYR CB C -4.244 -2.482 -2.262 1.00 . A A . 15 TYR CB 1 1
14 3766 1 1 15 TYR CD1 C -3.469 -4.008 -4.119 1.00 . A A . 15 TYR CD1 1 1
14 3767 1 1 15 TYR CD2 C -5.582 -4.449 -3.107 1.00 . A A . 15 TYR CD2 1 1
14 3768 1 1 15 TYR CE1 C -3.642 -5.092 -4.960 1.00 . A A . 15 TYR CE1 1 1
14 3769 1 1 15 TYR CE2 C -5.762 -5.534 -3.944 1.00 . A A . 15 TYR CE2 1 1
14 3770 1 1 15 TYR CG C -4.435 -3.669 -3.180 1.00 . A A . 15 TYR CG 1 1
14 3771 1 1 15 TYR CZ C -4.789 -5.851 -4.868 1.00 . A A . 15 TYR CZ 1 1
14 3772 1 1 15 TYR H H -3.691 -3.426 0.541 1.00 . A A . 15 TYR H 1 1
14 3773 1 1 15 TYR HA H -2.189 -2.928 -1.890 1.00 . A A . 15 TYR HA 1 1
14 3774 1 1 15 TYR HB2 H -5.145 -2.367 -1.680 1.00 . A A . 15 TYR HB2 1 1
14 3775 1 1 15 TYR HB3 H -4.104 -1.606 -2.876 1.00 . A A . 15 TYR HB3 1 1
14 3776 1 1 15 TYR HD1 H -2.572 -3.412 -4.189 1.00 . A A . 15 TYR HD1 1 1
14 3777 1 1 15 TYR HD2 H -6.343 -4.198 -2.383 1.00 . A A . 15 TYR HD2 1 1
14 3778 1 1 15 TYR HE1 H -2.879 -5.340 -5.683 1.00 . A A . 15 TYR HE1 1 1
14 3779 1 1 15 TYR HE2 H -6.660 -6.129 -3.871 1.00 . A A . 15 TYR HE2 1 1
14 3780 1 1 15 TYR HH H -5.719 -6.775 -6.275 1.00 . A A . 15 TYR HH 1 1
14 3781 1 1 15 TYR N N -3.306 -3.667 -0.328 1.00 . A A . 15 TYR N 1 1
14 3782 1 1 15 TYR O O -3.516 -0.776 0.154 1.00 . A A . 15 TYR O 1 1
14 3783 1 1 15 TYR OH O -4.964 -6.931 -5.703 1.00 . A A . 15 TYR OH 1 1
14 3784 1 1 16 ALA C C -0.555 1.436 -1.606 1.00 . A A . 16 ALA C 1 1
14 3785 1 1 16 ALA CA C -1.167 0.584 -0.508 1.00 . A A . 16 ALA CA 1 1
14 3786 1 1 16 ALA CB C -0.159 0.388 0.613 1.00 . A A . 16 ALA CB 1 1
14 3787 1 1 16 ALA H H -1.043 -1.165 -1.683 1.00 . A A . 16 ALA H 1 1
14 3788 1 1 16 ALA HA H -2.020 1.103 -0.104 1.00 . A A . 16 ALA HA 1 1
14 3789 1 1 16 ALA HB1 H -0.606 -0.195 1.400 1.00 . A A . 16 ALA HB1 1 1
14 3790 1 1 16 ALA HB2 H 0.138 1.351 1.002 1.00 . A A . 16 ALA HB2 1 1
14 3791 1 1 16 ALA HB3 H 0.709 -0.128 0.230 1.00 . A A . 16 ALA HB3 1 1
14 3792 1 1 16 ALA N N -1.606 -0.706 -1.031 1.00 . A A . 16 ALA N 1 1
14 3793 1 1 16 ALA O O 0.107 0.926 -2.510 1.00 . A A . 16 ALA O 1 1
14 3794 1 1 17 VAL C C 1.183 4.107 -2.021 1.00 . A A . 17 VAL C 1 1
14 3795 1 1 17 VAL CA C -0.204 3.675 -2.471 1.00 . A A . 17 VAL CA 1 1
14 3796 1 1 17 VAL CB C -1.082 4.930 -2.617 1.00 . A A . 17 VAL CB 1 1
14 3797 1 1 17 VAL CG1 C -0.550 5.830 -3.724 1.00 . A A . 17 VAL CG1 1 1
14 3798 1 1 17 VAL CG2 C -2.532 4.551 -2.878 1.00 . A A . 17 VAL CG2 1 1
14 3799 1 1 17 VAL H H -1.278 3.086 -0.749 1.00 . A A . 17 VAL H 1 1
14 3800 1 1 17 VAL HA H -0.137 3.178 -3.431 1.00 . A A . 17 VAL HA 1 1
14 3801 1 1 17 VAL HB H -1.038 5.480 -1.686 1.00 . A A . 17 VAL HB 1 1
14 3802 1 1 17 VAL HG11 H -0.340 5.236 -4.601 1.00 . A A . 17 VAL HG11 1 1
14 3803 1 1 17 VAL HG12 H 0.356 6.313 -3.390 1.00 . A A . 17 VAL HG12 1 1
14 3804 1 1 17 VAL HG13 H -1.290 6.579 -3.965 1.00 . A A . 17 VAL HG13 1 1
14 3805 1 1 17 VAL HG21 H -3.128 4.792 -2.012 1.00 . A A . 17 VAL HG21 1 1
14 3806 1 1 17 VAL HG22 H -2.598 3.492 -3.077 1.00 . A A . 17 VAL HG22 1 1
14 3807 1 1 17 VAL HG23 H -2.899 5.102 -3.731 1.00 . A A . 17 VAL HG23 1 1
14 3808 1 1 17 VAL N N -0.759 2.741 -1.505 1.00 . A A . 17 VAL N 1 1
14 3809 1 1 17 VAL O O 1.939 4.711 -2.782 1.00 . A A . 17 VAL O 1 1
14 3810 1 1 18 VAL C C 3.653 2.879 -0.023 1.00 . A A . 18 VAL C 1 1
14 3811 1 1 18 VAL CA C 2.802 4.128 -0.206 1.00 . A A . 18 VAL CA 1 1
14 3812 1 1 18 VAL CB C 2.652 4.841 1.146 1.00 . A A . 18 VAL CB 1 1
14 3813 1 1 18 VAL CG1 C 3.997 5.351 1.638 1.00 . A A . 18 VAL CG1 1 1
14 3814 1 1 18 VAL CG2 C 1.645 5.977 1.042 1.00 . A A . 18 VAL CG2 1 1
14 3815 1 1 18 VAL H H 0.855 3.294 -0.218 1.00 . A A . 18 VAL H 1 1
14 3816 1 1 18 VAL HA H 3.302 4.797 -0.892 1.00 . A A . 18 VAL HA 1 1
14 3817 1 1 18 VAL HB H 2.282 4.126 1.861 1.00 . A A . 18 VAL HB 1 1
14 3818 1 1 18 VAL HG11 H 4.502 4.565 2.179 1.00 . A A . 18 VAL HG11 1 1
14 3819 1 1 18 VAL HG12 H 3.844 6.198 2.290 1.00 . A A . 18 VAL HG12 1 1
14 3820 1 1 18 VAL HG13 H 4.598 5.651 0.793 1.00 . A A . 18 VAL HG13 1 1
14 3821 1 1 18 VAL HG21 H 0.748 5.620 0.557 1.00 . A A . 18 VAL HG21 1 1
14 3822 1 1 18 VAL HG22 H 2.070 6.783 0.463 1.00 . A A . 18 VAL HG22 1 1
14 3823 1 1 18 VAL HG23 H 1.401 6.334 2.032 1.00 . A A . 18 VAL HG23 1 1
14 3824 1 1 18 VAL N N 1.507 3.784 -0.772 1.00 . A A . 18 VAL N 1 1
14 3825 1 1 18 VAL O O 3.132 1.767 0.030 1.00 . A A . 18 VAL O 1 1
14 3826 1 1 19 CYS C C 7.037 2.307 1.156 1.00 . A A . 19 CYS C 1 1
14 3827 1 1 19 CYS CA C 5.879 1.944 0.231 1.00 . A A . 19 CYS CA 1 1
14 3828 1 1 19 CYS CB C 6.410 1.506 -1.139 1.00 . A A . 19 CYS CB 1 1
14 3829 1 1 19 CYS H H 5.317 3.976 0.017 1.00 . A A . 19 CYS H 1 1
14 3830 1 1 19 CYS HA H 5.331 1.131 0.672 1.00 . A A . 19 CYS HA 1 1
14 3831 1 1 19 CYS HB2 H 5.890 2.058 -1.907 1.00 . A A . 19 CYS HB2 1 1
14 3832 1 1 19 CYS HB3 H 7.465 1.734 -1.196 1.00 . A A . 19 CYS HB3 1 1
14 3833 1 1 19 CYS N N 4.961 3.066 0.067 1.00 . A A . 19 CYS N 1 1
14 3834 1 1 19 CYS O O 7.385 1.546 2.058 1.00 . A A . 19 CYS O 1 1
14 3835 1 1 19 CYS SG S 6.205 -0.270 -1.509 1.00 . A A . 19 CYS SG 1 1
14 3836 1 1 20 PHE C C 8.339 5.097 2.644 1.00 . A A . 20 PHE C 1 1
14 3837 1 1 20 PHE CA C 8.747 3.935 1.738 1.00 . A A . 20 PHE CA 1 1
14 3838 1 1 20 PHE CB C 9.915 4.359 0.844 1.00 . A A . 20 PHE CB 1 1
14 3839 1 1 20 PHE CD1 C 9.449 4.591 -1.611 1.00 . A A . 20 PHE CD1 1 1
14 3840 1 1 20 PHE CD2 C 9.150 6.502 -0.216 1.00 . A A . 20 PHE CD2 1 1
14 3841 1 1 20 PHE CE1 C 9.064 5.331 -2.713 1.00 . A A . 20 PHE CE1 1 1
14 3842 1 1 20 PHE CE2 C 8.764 7.247 -1.314 1.00 . A A . 20 PHE CE2 1 1
14 3843 1 1 20 PHE CG C 9.496 5.167 -0.352 1.00 . A A . 20 PHE CG 1 1
14 3844 1 1 20 PHE CZ C 8.721 6.661 -2.564 1.00 . A A . 20 PHE CZ 1 1
14 3845 1 1 20 PHE H H 7.303 4.032 0.191 1.00 . A A . 20 PHE H 1 1
14 3846 1 1 20 PHE HA H 9.067 3.111 2.358 1.00 . A A . 20 PHE HA 1 1
14 3847 1 1 20 PHE HB2 H 10.603 4.957 1.423 1.00 . A A . 20 PHE HB2 1 1
14 3848 1 1 20 PHE HB3 H 10.424 3.476 0.487 1.00 . A A . 20 PHE HB3 1 1
14 3849 1 1 20 PHE HD1 H 9.716 3.551 -1.729 1.00 . A A . 20 PHE HD1 1 1
14 3850 1 1 20 PHE HD2 H 9.183 6.961 0.761 1.00 . A A . 20 PHE HD2 1 1
14 3851 1 1 20 PHE HE1 H 9.032 4.870 -3.689 1.00 . A A . 20 PHE HE1 1 1
14 3852 1 1 20 PHE HE2 H 8.497 8.287 -1.195 1.00 . A A . 20 PHE HE2 1 1
14 3853 1 1 20 PHE HZ H 8.420 7.241 -3.424 1.00 . A A . 20 PHE HZ 1 1
14 3854 1 1 20 PHE N N 7.627 3.472 0.925 1.00 . A A . 20 PHE N 1 1
14 3855 1 1 20 PHE O O 9.181 5.678 3.330 1.00 . A A . 20 PHE O 1 1
14 3856 1 1 21 DTR C C 6.094 6.008 4.843 1.00 . A A . 21 DTR C 1 1
14 3857 1 1 21 DTR CA C 6.508 6.518 3.466 1.00 . A A . 21 DTR CA 1 1
14 3858 1 1 21 DTR CB C 7.521 7.659 3.612 1.00 . A A . 21 DTR CB 1 1
14 3859 1 1 21 DTR CD1 C 5.861 9.443 2.819 1.00 . A A . 21 DTR CD1 1 1
14 3860 1 1 21 DTR CD2 C 7.241 10.128 4.444 1.00 . A A . 21 DTR CD2 1 1
14 3861 1 1 21 DTR CE2 C 6.386 11.193 4.101 1.00 . A A . 21 DTR CE2 1 1
14 3862 1 1 21 DTR CE3 C 8.195 10.326 5.446 1.00 . A A . 21 DTR CE3 1 1
14 3863 1 1 21 DTR CG C 6.888 9.017 3.612 1.00 . A A . 21 DTR CG 1 1
14 3864 1 1 21 DTR CH2 C 7.401 12.602 5.701 1.00 . A A . 21 DTR CH2 1 1
14 3865 1 1 21 DTR CZ2 C 6.458 12.436 4.724 1.00 . A A . 21 DTR CZ2 1 1
14 3866 1 1 21 DTR CZ3 C 8.265 11.561 6.063 1.00 . A A . 21 DTR CZ3 1 1
14 3867 1 1 21 DTR H H 6.426 4.921 2.079 1.00 . A A . 21 DTR H 1 1
14 3868 1 1 21 DTR HA H 5.629 6.897 2.966 1.00 . A A . 21 DTR HA 1 1
14 3869 1 1 21 DTR HB2 H 8.057 7.540 4.542 1.00 . A A . 21 DTR HB2 1 1
14 3870 1 1 21 DTR HB3 H 8.222 7.616 2.790 1.00 . A A . 21 DTR HB3 1 1
14 3871 1 1 21 DTR HD1 H 5.372 8.830 2.077 1.00 . A A . 21 DTR HD1 1 1
14 3872 1 1 21 DTR HE1 H 4.853 11.279 2.672 1.00 . A A . 21 DTR HE1 1 1
14 3873 1 1 21 DTR HE3 H 8.870 9.536 5.738 1.00 . A A . 21 DTR HE3 1 1
14 3874 1 1 21 DTR HH2 H 7.492 13.550 6.210 1.00 . A A . 21 DTR HH2 1 1
14 3875 1 1 21 DTR HZ2 H 5.799 13.249 4.456 1.00 . A A . 21 DTR HZ2 1 1
14 3876 1 1 21 DTR HZ3 H 8.996 11.732 6.839 1.00 . A A . 21 DTR HZ3 1 1
14 3877 1 1 21 DTR N N 7.043 5.427 2.646 1.00 . A A . 21 DTR N 1 1
14 3878 1 1 21 DTR NE1 N 5.554 10.750 3.107 1.00 . A A . 21 DTR NE1 1 1
15 3879 1 1 1 CYS C C -6.306 -0.328 1.241 1.00 . A A . 1 CYS C 1 1
15 3880 1 1 1 CYS CA C -5.661 -1.434 2.075 1.00 . A A . 1 CYS CA 1 1
15 3881 1 1 1 CYS CB C -6.648 -1.954 3.131 1.00 . A A . 1 CYS CB 1 1
15 3882 1 1 1 CYS H1 H -4.363 0.027 2.688 1.00 . A A . 1 CYS H1 1 1
15 3883 1 1 1 CYS HA H -5.386 -2.248 1.420 1.00 . A A . 1 CYS HA 1 1
15 3884 1 1 1 CYS HB2 H -6.351 -2.949 3.427 1.00 . A A . 1 CYS HB2 1 1
15 3885 1 1 1 CYS HB3 H -6.612 -1.305 3.993 1.00 . A A . 1 CYS HB3 1 1
15 3886 1 1 1 CYS N N -4.444 -0.950 2.721 1.00 . A A . 1 CYS N 1 1
15 3887 1 1 1 CYS O O -6.990 0.546 1.773 1.00 . A A . 1 CYS O 1 1
15 3888 1 1 1 CYS SG S -8.386 -2.043 2.576 1.00 . A A . 1 CYS SG 1 1
15 3889 1 1 2 LEU C C -6.887 0.024 -2.355 1.00 . A A . 2 LEU C 1 1
15 3890 1 1 2 LEU CA C -6.635 0.621 -0.976 1.00 . A A . 2 LEU CA 1 1
15 3891 1 1 2 LEU CB C -5.689 1.817 -1.090 1.00 . A A . 2 LEU CB 1 1
15 3892 1 1 2 LEU CD1 C -4.339 3.576 0.079 1.00 . A A . 2 LEU CD1 1 1
15 3893 1 1 2 LEU CD2 C -6.804 3.423 0.476 1.00 . A A . 2 LEU CD2 1 1
15 3894 1 1 2 LEU CG C -5.532 2.640 0.189 1.00 . A A . 2 LEU CG 1 1
15 3895 1 1 2 LEU H H -5.525 -1.095 -0.430 1.00 . A A . 2 LEU H 1 1
15 3896 1 1 2 LEU HA H -7.574 0.956 -0.570 1.00 . A A . 2 LEU HA 1 1
15 3897 1 1 2 LEU HB2 H -4.715 1.453 -1.383 1.00 . A A . 2 LEU HB2 1 1
15 3898 1 1 2 LEU HB3 H -6.059 2.469 -1.867 1.00 . A A . 2 LEU HB3 1 1
15 3899 1 1 2 LEU HD11 H -4.173 4.062 1.029 1.00 . A A . 2 LEU HD11 1 1
15 3900 1 1 2 LEU HD12 H -4.535 4.321 -0.678 1.00 . A A . 2 LEU HD12 1 1
15 3901 1 1 2 LEU HD13 H -3.461 3.009 -0.193 1.00 . A A . 2 LEU HD13 1 1
15 3902 1 1 2 LEU HD21 H -7.495 2.799 1.024 1.00 . A A . 2 LEU HD21 1 1
15 3903 1 1 2 LEU HD22 H -7.256 3.730 -0.455 1.00 . A A . 2 LEU HD22 1 1
15 3904 1 1 2 LEU HD23 H -6.564 4.297 1.065 1.00 . A A . 2 LEU HD23 1 1
15 3905 1 1 2 LEU HG H -5.355 1.971 1.020 1.00 . A A . 2 LEU HG 1 1
15 3906 1 1 2 LEU N N -6.080 -0.375 -0.067 1.00 . A A . 2 LEU N 1 1
15 3907 1 1 2 LEU O O -6.477 -1.101 -2.640 1.00 . A A . 2 LEU O 1 1
15 3908 1 1 3 GLY C C -6.725 0.647 -5.526 1.00 . A A . 3 GLY C 1 1
15 3909 1 1 3 GLY CA C -7.843 0.322 -4.554 1.00 . A A . 3 GLY CA 1 1
15 3910 1 1 3 GLY H H -7.853 1.679 -2.929 1.00 . A A . 3 GLY H 1 1
15 3911 1 1 3 GLY HA2 H -7.987 -0.748 -4.530 1.00 . A A . 3 GLY HA2 1 1
15 3912 1 1 3 GLY HA3 H -8.753 0.790 -4.900 1.00 . A A . 3 GLY HA3 1 1
15 3913 1 1 3 GLY N N -7.557 0.789 -3.211 1.00 . A A . 3 GLY N 1 1
15 3914 1 1 3 GLY O O -6.931 0.655 -6.740 1.00 . A A . 3 GLY O 1 1
15 3915 1 1 4 VAL C C -3.601 -0.013 -6.191 1.00 . A A . 4 VAL C 1 1
15 3916 1 1 4 VAL CA C -4.382 1.250 -5.813 1.00 . A A . 4 VAL CA 1 1
15 3917 1 1 4 VAL CB C -3.466 2.265 -5.085 1.00 . A A . 4 VAL CB 1 1
15 3918 1 1 4 VAL CG1 C -2.481 1.569 -4.152 1.00 . A A . 4 VAL CG1 1 1
15 3919 1 1 4 VAL CG2 C -2.739 3.153 -6.087 1.00 . A A . 4 VAL CG2 1 1
15 3920 1 1 4 VAL H H -5.439 0.899 -4.014 1.00 . A A . 4 VAL H 1 1
15 3921 1 1 4 VAL HA H -4.747 1.714 -6.718 1.00 . A A . 4 VAL HA 1 1
15 3922 1 1 4 VAL HB H -4.095 2.898 -4.481 1.00 . A A . 4 VAL HB 1 1
15 3923 1 1 4 VAL HG11 H -2.815 0.561 -3.957 1.00 . A A . 4 VAL HG11 1 1
15 3924 1 1 4 VAL HG12 H -2.420 2.113 -3.222 1.00 . A A . 4 VAL HG12 1 1
15 3925 1 1 4 VAL HG13 H -1.507 1.542 -4.615 1.00 . A A . 4 VAL HG13 1 1
15 3926 1 1 4 VAL HG21 H -1.681 2.936 -6.060 1.00 . A A . 4 VAL HG21 1 1
15 3927 1 1 4 VAL HG22 H -2.900 4.190 -5.832 1.00 . A A . 4 VAL HG22 1 1
15 3928 1 1 4 VAL HG23 H -3.120 2.963 -7.080 1.00 . A A . 4 VAL HG23 1 1
15 3929 1 1 4 VAL N N -5.538 0.919 -4.989 1.00 . A A . 4 VAL N 1 1
15 3930 1 1 4 VAL O O -4.139 -1.119 -6.135 1.00 . A A . 4 VAL O 1 1
15 3931 1 1 5 GLY C C -0.046 -0.663 -7.033 1.00 . A A . 5 GLY C 1 1
15 3932 1 1 5 GLY CA C -1.527 -0.989 -6.956 1.00 . A A . 5 GLY CA 1 1
15 3933 1 1 5 GLY H H -1.957 1.052 -6.606 1.00 . A A . 5 GLY H 1 1
15 3934 1 1 5 GLY HA2 H -1.672 -1.775 -6.229 1.00 . A A . 5 GLY HA2 1 1
15 3935 1 1 5 GLY HA3 H -1.855 -1.343 -7.922 1.00 . A A . 5 GLY HA3 1 1
15 3936 1 1 5 GLY N N -2.338 0.153 -6.577 1.00 . A A . 5 GLY N 1 1
15 3937 1 1 5 GLY O O 0.658 -1.158 -7.913 1.00 . A A . 5 GLY O 1 1
15 3938 1 1 6 SER C C 2.563 -0.176 -4.948 1.00 . A A . 6 SER C 1 1
15 3939 1 1 6 SER CA C 1.837 0.547 -6.077 1.00 . A A . 6 SER CA 1 1
15 3940 1 1 6 SER CB C 1.975 2.061 -5.903 1.00 . A A . 6 SER CB 1 1
15 3941 1 1 6 SER H H -0.177 0.526 -5.428 1.00 . A A . 6 SER H 1 1
15 3942 1 1 6 SER HA H 2.281 0.259 -7.019 1.00 . A A . 6 SER HA 1 1
15 3943 1 1 6 SER HB2 H 2.955 2.371 -6.232 1.00 . A A . 6 SER HB2 1 1
15 3944 1 1 6 SER HB3 H 1.221 2.559 -6.495 1.00 . A A . 6 SER HB3 1 1
15 3945 1 1 6 SER HG H 1.427 3.313 -4.500 1.00 . A A . 6 SER HG 1 1
15 3946 1 1 6 SER N N 0.430 0.166 -6.108 1.00 . A A . 6 SER N 1 1
15 3947 1 1 6 SER O O 3.734 -0.534 -5.074 1.00 . A A . 6 SER O 1 1
15 3948 1 1 6 SER OG O 1.811 2.434 -4.545 1.00 . A A . 6 SER OG 1 1
15 3949 1 1 7 CYS C C 1.313 -1.815 -1.932 1.00 . A A . 7 CYS C 1 1
15 3950 1 1 7 CYS CA C 2.411 -1.071 -2.685 1.00 . A A . 7 CYS CA 1 1
15 3951 1 1 7 CYS CB C 3.101 -0.064 -1.760 1.00 . A A . 7 CYS CB 1 1
15 3952 1 1 7 CYS H H 0.923 -0.078 -3.814 1.00 . A A . 7 CYS H 1 1
15 3953 1 1 7 CYS HA H 3.139 -1.786 -3.036 1.00 . A A . 7 CYS HA 1 1
15 3954 1 1 7 CYS HB2 H 3.139 0.897 -2.251 1.00 . A A . 7 CYS HB2 1 1
15 3955 1 1 7 CYS HB3 H 2.530 0.027 -0.848 1.00 . A A . 7 CYS HB3 1 1
15 3956 1 1 7 CYS N N 1.852 -0.388 -3.846 1.00 . A A . 7 CYS N 1 1
15 3957 1 1 7 CYS O O 0.227 -2.037 -2.467 1.00 . A A . 7 CYS O 1 1
15 3958 1 1 7 CYS SG S 4.807 -0.516 -1.304 1.00 . A A . 7 CYS SG 1 1
15 3959 1 1 8 VAL C C 0.532 -2.329 1.525 1.00 . A A . 8 VAL C 1 1
15 3960 1 1 8 VAL CA C 0.615 -2.908 0.122 1.00 . A A . 8 VAL CA 1 1
15 3961 1 1 8 VAL CB C 0.945 -4.404 0.243 1.00 . A A . 8 VAL CB 1 1
15 3962 1 1 8 VAL CG1 C -0.245 -5.181 0.787 1.00 . A A . 8 VAL CG1 1 1
15 3963 1 1 8 VAL CG2 C 1.399 -4.972 -1.091 1.00 . A A . 8 VAL CG2 1 1
15 3964 1 1 8 VAL H H 2.473 -1.989 -0.312 1.00 . A A . 8 VAL H 1 1
15 3965 1 1 8 VAL HA H -0.350 -2.811 -0.355 1.00 . A A . 8 VAL HA 1 1
15 3966 1 1 8 VAL HB H 1.750 -4.503 0.947 1.00 . A A . 8 VAL HB 1 1
15 3967 1 1 8 VAL HG11 H 0.030 -5.657 1.717 1.00 . A A . 8 VAL HG11 1 1
15 3968 1 1 8 VAL HG12 H -0.543 -5.935 0.073 1.00 . A A . 8 VAL HG12 1 1
15 3969 1 1 8 VAL HG13 H -1.069 -4.507 0.960 1.00 . A A . 8 VAL HG13 1 1
15 3970 1 1 8 VAL HG21 H 2.455 -4.786 -1.221 1.00 . A A . 8 VAL HG21 1 1
15 3971 1 1 8 VAL HG22 H 0.848 -4.499 -1.890 1.00 . A A . 8 VAL HG22 1 1
15 3972 1 1 8 VAL HG23 H 1.217 -6.037 -1.109 1.00 . A A . 8 VAL HG23 1 1
15 3973 1 1 8 VAL N N 1.593 -2.195 -0.691 1.00 . A A . 8 VAL N 1 1
15 3974 1 1 8 VAL O O 1.521 -1.841 2.072 1.00 . A A . 8 VAL O 1 1
15 3975 1 1 9 ASP C C -1.005 -3.066 4.440 1.00 . A A . 9 ASP C 1 1
15 3976 1 1 9 ASP CA C -0.891 -1.908 3.450 1.00 . A A . 9 ASP CA 1 1
15 3977 1 1 9 ASP CB C -2.159 -1.048 3.501 1.00 . A A . 9 ASP CB 1 1
15 3978 1 1 9 ASP CG C -3.341 -1.690 2.799 1.00 . A A . 9 ASP CG 1 1
15 3979 1 1 9 ASP H H -1.389 -2.817 1.604 1.00 . A A . 9 ASP H 1 1
15 3980 1 1 9 ASP HA H -0.044 -1.299 3.728 1.00 . A A . 9 ASP HA 1 1
15 3981 1 1 9 ASP HB2 H -2.429 -0.880 4.533 1.00 . A A . 9 ASP HB2 1 1
15 3982 1 1 9 ASP HB3 H -1.958 -0.096 3.030 1.00 . A A . 9 ASP HB3 1 1
15 3983 1 1 9 ASP N N -0.655 -2.405 2.100 1.00 . A A . 9 ASP N 1 1
15 3984 1 1 9 ASP O O -0.926 -2.868 5.653 1.00 . A A . 9 ASP O 1 1
15 3985 1 1 9 ASP OD1 O -3.262 -2.829 2.337 1.00 . A A . 9 ASP OD1 1 1
15 3986 1 1 10 PHE C C -2.419 -5.304 5.777 1.00 . A A . 10 PHE C 1 1
15 3987 1 1 10 PHE CA C -1.306 -5.465 4.749 1.00 . A A . 10 PHE CA 1 1
15 3988 1 1 10 PHE CB C 0.019 -5.755 5.453 1.00 . A A . 10 PHE CB 1 1
15 3989 1 1 10 PHE CD1 C 1.157 -7.716 4.377 1.00 . A A . 10 PHE CD1 1 1
15 3990 1 1 10 PHE CD2 C 0.022 -8.060 6.446 1.00 . A A . 10 PHE CD2 1 1
15 3991 1 1 10 PHE CE1 C 1.514 -9.051 4.347 1.00 . A A . 10 PHE CE1 1 1
15 3992 1 1 10 PHE CE2 C 0.376 -9.396 6.422 1.00 . A A . 10 PHE CE2 1 1
15 3993 1 1 10 PHE CG C 0.408 -7.206 5.425 1.00 . A A . 10 PHE CG 1 1
15 3994 1 1 10 PHE CZ C 1.123 -9.892 5.371 1.00 . A A . 10 PHE CZ 1 1
15 3995 1 1 10 PHE H H -1.239 -4.372 2.942 1.00 . A A . 10 PHE H 1 1
15 3996 1 1 10 PHE HA H -1.549 -6.296 4.105 1.00 . A A . 10 PHE HA 1 1
15 3997 1 1 10 PHE HB2 H 0.804 -5.192 4.972 1.00 . A A . 10 PHE HB2 1 1
15 3998 1 1 10 PHE HB3 H -0.056 -5.449 6.487 1.00 . A A . 10 PHE HB3 1 1
15 3999 1 1 10 PHE HD1 H 1.464 -7.060 3.576 1.00 . A A . 10 PHE HD1 1 1
15 4000 1 1 10 PHE HD2 H -0.563 -7.674 7.268 1.00 . A A . 10 PHE HD2 1 1
15 4001 1 1 10 PHE HE1 H 2.098 -9.437 3.525 1.00 . A A . 10 PHE HE1 1 1
15 4002 1 1 10 PHE HE2 H 0.069 -10.051 7.224 1.00 . A A . 10 PHE HE2 1 1
15 4003 1 1 10 PHE HZ H 1.401 -10.936 5.350 1.00 . A A . 10 PHE HZ 1 1
15 4004 1 1 10 PHE N N -1.186 -4.276 3.915 1.00 . A A . 10 PHE N 1 1
15 4005 1 1 10 PHE O O -2.351 -5.860 6.873 1.00 . A A . 10 PHE O 1 1
15 4006 1 1 11 ALA C C -5.728 -5.249 5.975 1.00 . A A . 11 ALA C 1 1
15 4007 1 1 11 ALA CA C -4.571 -4.316 6.308 1.00 . A A . 11 ALA CA 1 1
15 4008 1 1 11 ALA CB C -5.019 -2.864 6.242 1.00 . A A . 11 ALA CB 1 1
15 4009 1 1 11 ALA H H -3.444 -4.129 4.527 1.00 . A A . 11 ALA H 1 1
15 4010 1 1 11 ALA HA H -4.241 -4.524 7.312 1.00 . A A . 11 ALA HA 1 1
15 4011 1 1 11 ALA HB1 H -4.824 -2.471 5.255 1.00 . A A . 11 ALA HB1 1 1
15 4012 1 1 11 ALA HB2 H -4.473 -2.286 6.974 1.00 . A A . 11 ALA HB2 1 1
15 4013 1 1 11 ALA HB3 H -6.077 -2.803 6.452 1.00 . A A . 11 ALA HB3 1 1
15 4014 1 1 11 ALA N N -3.444 -4.543 5.415 1.00 . A A . 11 ALA N 1 1
15 4015 1 1 11 ALA O O -6.887 -4.943 6.253 1.00 . A A . 11 ALA O 1 1
15 4016 1 1 12 GLY C C -6.751 -7.318 3.543 1.00 . A A . 12 GLY C 1 1
15 4017 1 1 12 GLY CA C -6.420 -7.356 5.020 1.00 . A A . 12 GLY CA 1 1
15 4018 1 1 12 GLY H H -4.456 -6.574 5.185 1.00 . A A . 12 GLY H 1 1
15 4019 1 1 12 GLY HA2 H -6.069 -8.345 5.275 1.00 . A A . 12 GLY HA2 1 1
15 4020 1 1 12 GLY HA3 H -7.316 -7.145 5.584 1.00 . A A . 12 GLY HA3 1 1
15 4021 1 1 12 GLY N N -5.400 -6.389 5.381 1.00 . A A . 12 GLY N 1 1
15 4022 1 1 12 GLY O O -7.144 -8.330 2.961 1.00 . A A . 12 GLY O 1 1
15 4023 1 1 13 CYS C C -5.616 -6.278 0.694 1.00 . A A . 13 CYS C 1 1
15 4024 1 1 13 CYS CA C -6.865 -5.983 1.514 1.00 . A A . 13 CYS CA 1 1
15 4025 1 1 13 CYS CB C -7.360 -4.564 1.233 1.00 . A A . 13 CYS CB 1 1
15 4026 1 1 13 CYS H H -6.265 -5.382 3.452 1.00 . A A . 13 CYS H 1 1
15 4027 1 1 13 CYS HA H -7.637 -6.687 1.241 1.00 . A A . 13 CYS HA 1 1
15 4028 1 1 13 CYS HB2 H -6.542 -3.871 1.365 1.00 . A A . 13 CYS HB2 1 1
15 4029 1 1 13 CYS HB3 H -7.711 -4.507 0.213 1.00 . A A . 13 CYS HB3 1 1
15 4030 1 1 13 CYS N N -6.587 -6.149 2.934 1.00 . A A . 13 CYS N 1 1
15 4031 1 1 13 CYS O O -5.682 -6.923 -0.352 1.00 . A A . 13 CYS O 1 1
15 4032 1 1 13 CYS SG S -8.720 -4.028 2.320 1.00 . A A . 13 CYS SG 1 1
15 4033 1 1 14 GLY C C -2.924 -5.006 -0.564 1.00 . A A . 14 GLY C 1 1
15 4034 1 1 14 GLY CA C -3.219 -6.040 0.506 1.00 . A A . 14 GLY CA 1 1
15 4035 1 1 14 GLY H H -4.488 -5.311 2.032 1.00 . A A . 14 GLY H 1 1
15 4036 1 1 14 GLY HA2 H -2.425 -6.024 1.235 1.00 . A A . 14 GLY HA2 1 1
15 4037 1 1 14 GLY HA3 H -3.249 -7.017 0.047 1.00 . A A . 14 GLY HA3 1 1
15 4038 1 1 14 GLY N N -4.476 -5.809 1.188 1.00 . A A . 14 GLY N 1 1
15 4039 1 1 14 GLY O O -2.401 -5.343 -1.627 1.00 . A A . 14 GLY O 1 1
15 4040 1 1 15 TYR C C -2.762 -1.335 -0.578 1.00 . A A . 15 TYR C 1 1
15 4041 1 1 15 TYR CA C -3.009 -2.680 -1.260 1.00 . A A . 15 TYR CA 1 1
15 4042 1 1 15 TYR CB C -4.183 -2.564 -2.232 1.00 . A A . 15 TYR CB 1 1
15 4043 1 1 15 TYR CD1 C -3.703 -3.559 -4.502 1.00 . A A . 15 TYR CD1 1 1
15 4044 1 1 15 TYR CD2 C -4.872 -4.894 -2.910 1.00 . A A . 15 TYR CD2 1 1
15 4045 1 1 15 TYR CE1 C -3.767 -4.591 -5.419 1.00 . A A . 15 TYR CE1 1 1
15 4046 1 1 15 TYR CE2 C -4.939 -5.930 -3.821 1.00 . A A . 15 TYR CE2 1 1
15 4047 1 1 15 TYR CG C -4.254 -3.693 -3.233 1.00 . A A . 15 TYR CG 1 1
15 4048 1 1 15 TYR CZ C -4.385 -5.774 -5.074 1.00 . A A . 15 TYR CZ 1 1
15 4049 1 1 15 TYR H H -3.668 -3.530 0.569 1.00 . A A . 15 TYR H 1 1
15 4050 1 1 15 TYR HA H -2.124 -2.948 -1.818 1.00 . A A . 15 TYR HA 1 1
15 4051 1 1 15 TYR HB2 H -5.106 -2.561 -1.672 1.00 . A A . 15 TYR HB2 1 1
15 4052 1 1 15 TYR HB3 H -4.097 -1.637 -2.781 1.00 . A A . 15 TYR HB3 1 1
15 4053 1 1 15 TYR HD1 H -3.219 -2.632 -4.769 1.00 . A A . 15 TYR HD1 1 1
15 4054 1 1 15 TYR HD2 H -5.306 -5.014 -1.928 1.00 . A A . 15 TYR HD2 1 1
15 4055 1 1 15 TYR HE1 H -3.332 -4.468 -6.400 1.00 . A A . 15 TYR HE1 1 1
15 4056 1 1 15 TYR HE2 H -5.424 -6.857 -3.550 1.00 . A A . 15 TYR HE2 1 1
15 4057 1 1 15 TYR HH H -3.862 -7.511 -5.710 1.00 . A A . 15 TYR HH 1 1
15 4058 1 1 15 TYR N N -3.255 -3.746 -0.293 1.00 . A A . 15 TYR N 1 1
15 4059 1 1 15 TYR O O -3.587 -0.855 0.198 1.00 . A A . 15 TYR O 1 1
15 4060 1 1 15 TYR OH O -4.450 -6.803 -5.984 1.00 . A A . 15 TYR OH 1 1
15 4061 1 1 16 ALA C C -0.708 1.483 -1.423 1.00 . A A . 16 ALA C 1 1
15 4062 1 1 16 ALA CA C -1.247 0.566 -0.338 1.00 . A A . 16 ALA CA 1 1
15 4063 1 1 16 ALA CB C -0.212 0.401 0.763 1.00 . A A . 16 ALA CB 1 1
15 4064 1 1 16 ALA H H -1.014 -1.170 -1.521 1.00 . A A . 16 ALA H 1 1
15 4065 1 1 16 ALA HA H -2.123 1.021 0.092 1.00 . A A . 16 ALA HA 1 1
15 4066 1 1 16 ALA HB1 H -0.645 -0.148 1.585 1.00 . A A . 16 ALA HB1 1 1
15 4067 1 1 16 ALA HB2 H 0.104 1.374 1.109 1.00 . A A . 16 ALA HB2 1 1
15 4068 1 1 16 ALA HB3 H 0.640 -0.138 0.378 1.00 . A A . 16 ALA HB3 1 1
15 4069 1 1 16 ALA N N -1.621 -0.732 -0.892 1.00 . A A . 16 ALA N 1 1
15 4070 1 1 16 ALA O O -0.034 1.035 -2.351 1.00 . A A . 16 ALA O 1 1
15 4071 1 1 17 VAL C C 0.859 4.268 -1.827 1.00 . A A . 17 VAL C 1 1
15 4072 1 1 17 VAL CA C -0.510 3.752 -2.253 1.00 . A A . 17 VAL CA 1 1
15 4073 1 1 17 VAL CB C -1.475 4.946 -2.382 1.00 . A A . 17 VAL CB 1 1
15 4074 1 1 17 VAL CG1 C -1.040 5.863 -3.515 1.00 . A A . 17 VAL CG1 1 1
15 4075 1 1 17 VAL CG2 C -2.903 4.467 -2.596 1.00 . A A . 17 VAL CG2 1 1
15 4076 1 1 17 VAL H H -1.517 3.072 -0.523 1.00 . A A . 17 VAL H 1 1
15 4077 1 1 17 VAL HA H -0.425 3.267 -3.217 1.00 . A A . 17 VAL HA 1 1
15 4078 1 1 17 VAL HB H -1.442 5.510 -1.462 1.00 . A A . 17 VAL HB 1 1
15 4079 1 1 17 VAL HG11 H -1.873 6.479 -3.820 1.00 . A A . 17 VAL HG11 1 1
15 4080 1 1 17 VAL HG12 H -0.708 5.267 -4.353 1.00 . A A . 17 VAL HG12 1 1
15 4081 1 1 17 VAL HG13 H -0.231 6.493 -3.178 1.00 . A A . 17 VAL HG13 1 1
15 4082 1 1 17 VAL HG21 H -3.074 4.308 -3.650 1.00 . A A . 17 VAL HG21 1 1
15 4083 1 1 17 VAL HG22 H -3.591 5.213 -2.228 1.00 . A A . 17 VAL HG22 1 1
15 4084 1 1 17 VAL HG23 H -3.056 3.541 -2.062 1.00 . A A . 17 VAL HG23 1 1
15 4085 1 1 17 VAL N N -0.989 2.772 -1.292 1.00 . A A . 17 VAL N 1 1
15 4086 1 1 17 VAL O O 1.442 5.134 -2.480 1.00 . A A . 17 VAL O 1 1
15 4087 1 1 18 VAL C C 3.486 2.893 0.196 1.00 . A A . 18 VAL C 1 1
15 4088 1 1 18 VAL CA C 2.670 4.116 -0.201 1.00 . A A . 18 VAL CA 1 1
15 4089 1 1 18 VAL CB C 2.531 5.067 1.011 1.00 . A A . 18 VAL CB 1 1
15 4090 1 1 18 VAL CG1 C 1.409 4.609 1.931 1.00 . A A . 18 VAL CG1 1 1
15 4091 1 1 18 VAL CG2 C 3.840 5.192 1.785 1.00 . A A . 18 VAL CG2 1 1
15 4092 1 1 18 VAL H H 0.850 3.031 -0.247 1.00 . A A . 18 VAL H 1 1
15 4093 1 1 18 VAL HA H 3.194 4.644 -0.986 1.00 . A A . 18 VAL HA 1 1
15 4094 1 1 18 VAL HB H 2.278 6.043 0.634 1.00 . A A . 18 VAL HB 1 1
15 4095 1 1 18 VAL HG11 H 1.287 3.540 1.844 1.00 . A A . 18 VAL HG11 1 1
15 4096 1 1 18 VAL HG12 H 0.490 5.101 1.649 1.00 . A A . 18 VAL HG12 1 1
15 4097 1 1 18 VAL HG13 H 1.655 4.861 2.952 1.00 . A A . 18 VAL HG13 1 1
15 4098 1 1 18 VAL HG21 H 4.115 4.228 2.187 1.00 . A A . 18 VAL HG21 1 1
15 4099 1 1 18 VAL HG22 H 3.714 5.895 2.595 1.00 . A A . 18 VAL HG22 1 1
15 4100 1 1 18 VAL HG23 H 4.619 5.541 1.123 1.00 . A A . 18 VAL HG23 1 1
15 4101 1 1 18 VAL N N 1.367 3.722 -0.723 1.00 . A A . 18 VAL N 1 1
15 4102 1 1 18 VAL O O 2.943 1.813 0.424 1.00 . A A . 18 VAL O 1 1
15 4103 1 1 19 CYS C C 6.448 2.341 1.936 1.00 . A A . 19 CYS C 1 1
15 4104 1 1 19 CYS CA C 5.701 2.001 0.651 1.00 . A A . 19 CYS CA 1 1
15 4105 1 1 19 CYS CB C 6.691 1.722 -0.482 1.00 . A A . 19 CYS CB 1 1
15 4106 1 1 19 CYS H H 5.159 3.970 0.086 1.00 . A A . 19 CYS H 1 1
15 4107 1 1 19 CYS HA H 5.109 1.117 0.821 1.00 . A A . 19 CYS HA 1 1
15 4108 1 1 19 CYS HB2 H 7.183 2.644 -0.756 1.00 . A A . 19 CYS HB2 1 1
15 4109 1 1 19 CYS HB3 H 7.431 1.014 -0.138 1.00 . A A . 19 CYS HB3 1 1
15 4110 1 1 19 CYS N N 4.795 3.080 0.278 1.00 . A A . 19 CYS N 1 1
15 4111 1 1 19 CYS O O 6.094 1.864 3.015 1.00 . A A . 19 CYS O 1 1
15 4112 1 1 19 CYS SG S 5.924 1.036 -1.987 1.00 . A A . 19 CYS SG 1 1
15 4113 1 1 20 PHE C C 8.861 4.969 2.806 1.00 . A A . 20 PHE C 1 1
15 4114 1 1 20 PHE CA C 8.272 3.568 2.975 1.00 . A A . 20 PHE CA 1 1
15 4115 1 1 20 PHE CB C 9.393 2.557 3.218 1.00 . A A . 20 PHE CB 1 1
15 4116 1 1 20 PHE CD1 C 8.569 1.083 5.073 1.00 . A A . 20 PHE CD1 1 1
15 4117 1 1 20 PHE CD2 C 8.764 0.151 2.887 1.00 . A A . 20 PHE CD2 1 1
15 4118 1 1 20 PHE CE1 C 8.112 -0.129 5.553 1.00 . A A . 20 PHE CE1 1 1
15 4119 1 1 20 PHE CE2 C 8.308 -1.064 3.361 1.00 . A A . 20 PHE CE2 1 1
15 4120 1 1 20 PHE CG C 8.900 1.237 3.737 1.00 . A A . 20 PHE CG 1 1
15 4121 1 1 20 PHE CZ C 7.981 -1.204 4.695 1.00 . A A . 20 PHE CZ 1 1
15 4122 1 1 20 PHE H H 7.713 3.512 0.931 1.00 . A A . 20 PHE H 1 1
15 4123 1 1 20 PHE HA H 7.617 3.572 3.834 1.00 . A A . 20 PHE HA 1 1
15 4124 1 1 20 PHE HB2 H 9.914 2.377 2.290 1.00 . A A . 20 PHE HB2 1 1
15 4125 1 1 20 PHE HB3 H 10.085 2.963 3.942 1.00 . A A . 20 PHE HB3 1 1
15 4126 1 1 20 PHE HD1 H 8.671 1.924 5.744 1.00 . A A . 20 PHE HD1 1 1
15 4127 1 1 20 PHE HD2 H 9.020 0.260 1.843 1.00 . A A . 20 PHE HD2 1 1
15 4128 1 1 20 PHE HE1 H 7.857 -0.235 6.597 1.00 . A A . 20 PHE HE1 1 1
15 4129 1 1 20 PHE HE2 H 8.206 -1.902 2.688 1.00 . A A . 20 PHE HE2 1 1
15 4130 1 1 20 PHE HZ H 7.624 -2.153 5.068 1.00 . A A . 20 PHE HZ 1 1
15 4131 1 1 20 PHE N N 7.480 3.167 1.816 1.00 . A A . 20 PHE N 1 1
15 4132 1 1 20 PHE O O 9.742 5.365 3.566 1.00 . A A . 20 PHE O 1 1
15 4133 1 1 21 DTR C C 8.010 8.097 2.336 1.00 . A A . 21 DTR C 1 1
15 4134 1 1 21 DTR CA C 8.818 7.081 1.536 1.00 . A A . 21 DTR CA 1 1
15 4135 1 1 21 DTR CB C 10.316 7.257 1.827 1.00 . A A . 21 DTR CB 1 1
15 4136 1 1 21 DTR CD1 C 11.729 5.129 1.586 1.00 . A A . 21 DTR CD1 1 1
15 4137 1 1 21 DTR CD2 C 11.636 6.389 -0.263 1.00 . A A . 21 DTR CD2 1 1
15 4138 1 1 21 DTR CE2 C 12.435 5.261 -0.528 1.00 . A A . 21 DTR CE2 1 1
15 4139 1 1 21 DTR CE3 C 11.434 7.325 -1.282 1.00 . A A . 21 DTR CE3 1 1
15 4140 1 1 21 DTR CG C 11.191 6.285 1.094 1.00 . A A . 21 DTR CG 1 1
15 4141 1 1 21 DTR CH2 C 12.818 5.977 -2.745 1.00 . A A . 21 DTR CH2 1 1
15 4142 1 1 21 DTR CZ2 C 13.033 5.045 -1.767 1.00 . A A . 21 DTR CZ2 1 1
15 4143 1 1 21 DTR CZ3 C 12.028 7.110 -2.511 1.00 . A A . 21 DTR CZ3 1 1
15 4144 1 1 21 DTR H H 7.649 5.339 1.256 1.00 . A A . 21 DTR H 1 1
15 4145 1 1 21 DTR HA H 8.647 7.267 0.485 1.00 . A A . 21 DTR HA 1 1
15 4146 1 1 21 DTR HB2 H 10.613 8.253 1.534 1.00 . A A . 21 DTR HB2 1 1
15 4147 1 1 21 DTR HB3 H 10.490 7.136 2.885 1.00 . A A . 21 DTR HB3 1 1
15 4148 1 1 21 DTR HD1 H 11.580 4.768 2.592 1.00 . A A . 21 DTR HD1 1 1
15 4149 1 1 21 DTR HE1 H 12.961 3.662 0.725 1.00 . A A . 21 DTR HE1 1 1
15 4150 1 1 21 DTR HE3 H 10.828 8.204 -1.120 1.00 . A A . 21 DTR HE3 1 1
15 4151 1 1 21 DTR HH2 H 13.263 5.850 -3.721 1.00 . A A . 21 DTR HH2 1 1
15 4152 1 1 21 DTR HZ2 H 13.644 4.177 -1.964 1.00 . A A . 21 DTR HZ2 1 1
15 4153 1 1 21 DTR HZ3 H 11.883 7.823 -3.310 1.00 . A A . 21 DTR HZ3 1 1
15 4154 1 1 21 DTR N N 8.358 5.715 1.815 1.00 . A A . 21 DTR N 1 1
15 4155 1 1 21 DTR NE1 N 12.477 4.507 0.616 1.00 . A A . 21 DTR NE1 1 1
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