NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
372717 |
1dfs   |
cing | 4-filtered-FRED | STAR | entry | full | 238 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1dfs
# This FRED archive file contains, for PDB entry <1dfs>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_1dfs
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1dfs
_Assembly.Number_of_components 5
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 3474.34
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 $METALLOTHIONEIN_1 A . 1 1
2 . 2 $CADMIUM_ION B . 1 1
3 . 2 $CADMIUM_ION C . 1 1
4 . 2 $CADMIUM_ION D . 1 1
5 . 2 $CADMIUM_ION E . 1 1
stop_
loop_
_PDBX_nonpoly_scheme.Entity_assembly_ID
_PDBX_nonpoly_scheme.Entity_ID
_PDBX_nonpoly_scheme.Mon_ID
_PDBX_nonpoly_scheme.Comp_index_ID
_PDBX_nonpoly_scheme.Comp_ID
_PDBX_nonpoly_scheme.Entry_ID
_PDBX_nonpoly_scheme.Assembly_ID
2 2 CD 1 CD 1 1
3 2 CD 1 CD 1 1
4 2 CD 1 CD 1 1
5 2 CD 1 CD 1 1
stop_
save_
save_METALLOTHIONEIN_1
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "METALLOTHIONEIN 1"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code KSCCSCCPVGCSKCAQGCVCKGAADKCTCCA
_Entity.Number_of_monomers 31
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 LYS . 1 1
2 SER . 1 1
3 CYS . 1 1
4 CYS . 1 1
5 SER . 1 1
6 CYS . 1 1
7 CYS . 1 1
8 PRO . 1 1
9 VAL . 1 1
10 GLY . 1 1
11 CYS . 1 1
12 SER . 1 1
13 LYS . 1 1
14 CYS . 1 1
15 ALA . 1 1
16 GLN . 1 1
17 GLY . 1 1
18 CYS . 1 1
19 VAL . 1 1
20 CYS . 1 1
21 LYS . 1 1
22 GLY . 1 1
23 ALA . 1 1
24 ALA . 1 1
25 ASP . 1 1
26 LYS . 1 1
27 CYS . 1 1
28 THR . 1 1
29 CYS . 1 1
30 CYS . 1 1
31 ALA . 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
LYS 1 1 1 1
SER 2 2 1 1
CYS 3 3 1 1
CYS 4 4 1 1
SER 5 5 1 1
CYS 6 6 1 1
CYS 7 7 1 1
PRO 8 8 1 1
VAL 9 9 1 1
GLY 10 10 1 1
CYS 11 11 1 1
SER 12 12 1 1
LYS 13 13 1 1
CYS 14 14 1 1
ALA 15 15 1 1
GLN 16 16 1 1
GLY 17 17 1 1
CYS 18 18 1 1
VAL 19 19 1 1
CYS 20 20 1 1
LYS 21 21 1 1
GLY 22 22 1 1
ALA 23 23 1 1
ALA 24 24 1 1
ASP 25 25 1 1
LYS 26 26 1 1
CYS 27 27 1 1
THR 28 28 1 1
CYS 29 29 1 1
CYS 30 30 1 1
ALA 31 31 1 1
stop_
save_
save_CADMIUM_ION
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "CADMIUM ION"
_Entity.Type non-polymer
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 CD $CD 1 2
stop_
save_
save_CD
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID CD
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 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
210 1 . . . 1 1
211 1 . . . 1 1
212 1 . . . 1 1
213 1 . . . 1 1
214 1 . . . 1 1
215 1 . . . 1 1
216 1 . . . 1 1
217 1 . . . 1 1
218 1 . . . 1 1
219 1 . . . 1 1
220 1 . . . 1 1
221 1 . . . 1 1
222 1 . . . 1 1
223 1 . . . 1 1
224 1 . . . 1 1
225 1 . . . 1 1
226 1 . . . 1 1
227 1 . . . 1 1
228 1 . . . 1 1
229 1 . . . 1 1
230 1 . . . 1 1
231 1 . . . 1 1
232 1 . . . 1 1
233 1 . . . 1 1
234 1 . . . 1 1
235 1 . . . 1 1
236 1 . . . 1 1
237 1 . . . 1 1
238 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 LYS HA . 1 . HA 1 1
1 1 2 1 1 1 LYS QG . 1 . HG# 1 1
2 1 1 1 1 1 LYS HA . 1 . HA 1 1
2 1 2 1 1 2 SER H . 2 . HN 1 1
3 1 1 1 1 1 LYS HA . 1 . HA 1 1
3 1 2 1 1 2 SER QB . 2 . HB# 1 1
4 1 1 1 1 1 LYS HA . 1 . HA 1 1
4 1 2 1 1 9 VAL QG . 9 . HG# 1 1
5 1 1 1 1 1 LYS QB . 1 . HB# 1 1
5 1 2 1 1 2 SER H . 2 . HN 1 1
6 1 1 1 1 1 LYS QG . 1 . HG# 1 1
6 1 2 1 1 1 LYS N . 1 . N 1 1
7 1 1 1 1 1 LYS N . 1 . N 1 1
7 1 2 1 1 2 SER H . 2 . HN 1 1
8 1 1 1 1 1 LYS N . 1 . N 1 1
8 1 2 1 1 9 VAL QG . 9 . HG# 1 1
9 1 1 1 1 2 SER H . 2 . HN 1 1
9 1 2 1 1 2 SER QB . 2 . HB# 1 1
10 1 1 1 1 2 SER H . 2 . HN 1 1
10 1 2 1 1 9 VAL QG . 9 . HG# 1 1
11 1 1 1 1 2 SER QB . 2 . HB# 1 1
11 1 2 1 1 3 CYS H . 3 . HN 1 1
12 1 1 1 1 2 SER QB . 2 . HB# 1 1
12 1 2 1 1 4 CYS H . 4 . HN 1 1
13 1 1 1 1 2 SER QB . 2 . HB# 1 1
13 1 2 1 1 9 VAL HB . 9 . HB 1 1
14 1 1 1 1 3 CYS H . 3 . HN 1 1
14 1 2 1 1 3 CYS QB . 3 . HB# 1 1
15 1 1 1 1 3 CYS H . 3 . HN 1 1
15 1 2 1 1 4 CYS H . 4 . HN 1 1
16 1 1 1 1 3 CYS H . 3 . HN 1 1
16 1 2 1 1 9 VAL QG . 9 . HG# 1 1
17 1 1 1 1 3 CYS HA . 3 . HA 1 1
17 1 2 1 1 4 CYS H . 4 . HN 1 1
18 1 1 1 1 3 CYS HA . 3 . HA 1 1
18 1 2 1 1 18 CYS QB . 18 . HB# 1 1
19 1 1 1 1 3 CYS QB . 3 . HB# 1 1
19 1 2 1 1 4 CYS H . 4 . HN 1 1
20 1 1 1 1 3 CYS QB . 3 . HB# 1 1
20 1 2 1 1 4 CYS HA . 4 . HA 1 1
21 1 1 1 1 3 CYS QB . 3 . HB# 1 1
21 1 2 1 1 18 CYS H . 18 . HN 1 1
22 1 1 1 1 4 CYS H . 4 . HN 1 1
22 1 2 1 1 4 CYS HA . 4 . HA 1 1
23 1 1 1 1 4 CYS HA . 4 . HA 1 1
23 1 2 1 1 5 SER H . 5 . HN 1 1
24 1 1 1 1 4 CYS HA . 4 . HA 1 1
24 1 2 1 1 5 SER HA . 5 . HA 1 1
25 1 1 1 1 4 CYS HA . 4 . HA 1 1
25 1 2 1 1 6 CYS H . 6 . HN 1 1
26 1 1 1 1 4 CYS QB . 4 . HB# 1 1
26 1 2 1 1 5 SER H . 5 . HN 1 1
27 1 1 1 1 4 CYS QB . 4 . HB# 1 1
27 1 2 1 1 6 CYS H . 6 . HN 1 1
28 1 1 1 1 4 CYS QB . 4 . HB# 1 1
28 1 2 1 1 7 CYS H . 7 . HN 1 1
29 1 1 1 1 5 SER H . 5 . HN 1 1
29 1 2 1 1 5 SER QB . 5 . HB# 1 1
30 1 1 1 1 5 SER H . 5 . HN 1 1
30 1 2 1 1 6 CYS H . 6 . HN 1 1
31 1 1 1 1 5 SER H . 5 . HN 1 1
31 1 2 1 1 7 CYS H . 7 . HN 1 1
32 1 1 1 1 5 SER HA . 5 . HA 1 1
32 1 2 1 1 6 CYS H . 6 . HN 1 1
33 1 1 1 1 5 SER HA . 5 . HA 1 1
33 1 2 1 1 7 CYS H . 7 . HN 1 1
34 1 1 1 1 5 SER HA . 5 . HA 1 1
34 1 2 1 1 9 VAL H . 9 . HN 1 1
35 1 1 1 1 5 SER QB . 5 . HB# 1 1
35 1 2 1 1 6 CYS H . 6 . HN 1 1
36 1 1 1 1 5 SER QB . 5 . HB# 1 1
36 1 2 1 1 25 ASP H . 25 . HN 1 1
37 1 1 1 1 6 CYS H . 6 . HN 1 1
37 1 2 1 1 6 CYS QB . 6 . HB# 1 1
38 1 1 1 1 6 CYS H . 6 . HN 1 1
38 1 2 1 1 7 CYS H . 7 . HN 1 1
39 1 1 1 1 6 CYS HA . 6 . HA 1 1
39 1 2 1 1 7 CYS H . 7 . HN 1 1
40 1 1 1 1 6 CYS HA . 6 . HA 1 1
40 1 2 1 1 25 ASP H . 25 . HN 1 1
41 1 1 1 1 6 CYS HA . 6 . HA 1 1
41 1 2 1 1 25 ASP HA . 25 . HA 1 1
42 1 1 1 1 6 CYS HA . 6 . HA 1 1
42 1 2 1 1 26 LYS H . 26 . HN 1 1
43 1 1 1 1 6 CYS HA . 6 . HA 1 1
43 1 2 1 1 27 CYS H . 27 . HN 1 1
44 1 1 1 1 6 CYS QB . 6 . HB# 1 1
44 1 2 1 1 7 CYS H . 7 . HN 1 1
45 1 1 1 1 6 CYS QB . 6 . HB# 1 1
45 1 2 1 1 7 CYS QB . 7 . HB# 1 1
46 1 1 1 1 6 CYS QB . 6 . HB# 1 1
46 1 2 1 1 26 LYS H . 26 . HN 1 1
47 1 1 1 1 6 CYS QB . 6 . HB# 1 1
47 1 2 1 1 26 LYS HA . 26 . HA 1 1
48 1 1 1 1 6 CYS QB . 6 . HB# 1 1
48 1 2 1 1 27 CYS H . 27 . HN 1 1
49 1 1 1 1 6 CYS QB . 6 . HB# 1 1
49 1 2 1 1 27 CYS HA . 27 . HA 1 1
50 1 1 1 1 6 CYS QB . 6 . HB# 1 1
50 1 2 1 1 27 CYS QB . 27 . HB# 1 1
51 1 1 1 1 7 CYS H . 7 . HN 1 1
51 1 2 1 1 7 CYS HA . 7 . HA 1 1
52 1 1 1 1 7 CYS H . 7 . HN 1 1
52 1 2 1 1 7 CYS QB . 7 . HB# 1 1
53 1 1 1 1 7 CYS H . 7 . HN 1 1
53 1 2 1 1 8 PRO QD . 8 . HD# 1 1
54 1 1 1 1 7 CYS HA . 7 . HA 1 1
54 1 2 1 1 8 PRO QB . 8 . HB# 1 1
55 1 1 1 1 7 CYS HA . 7 . HA 1 1
55 1 2 1 1 8 PRO QD . 8 . HD# 1 1
56 1 1 1 1 7 CYS HA . 7 . HA 1 1
56 1 2 1 1 8 PRO QG . 8 . HG# 1 1
57 1 1 1 1 7 CYS HA . 7 . HA 1 1
57 1 2 1 1 11 CYS QB . 11 . HB# 1 1
58 1 1 1 1 7 CYS QB . 7 . HB# 1 1
58 1 2 1 1 8 PRO QD . 8 . HD# 1 1
59 1 1 1 1 7 CYS QB . 7 . HB# 1 1
59 1 2 1 1 11 CYS HA . 11 . HA 1 1
60 1 1 1 1 8 PRO HA . 8 . HA 1 1
60 1 2 1 1 9 VAL H . 9 . HN 1 1
61 1 1 1 1 8 PRO HA . 8 . HA 1 1
61 1 2 1 1 9 VAL HB . 9 . HB# 1 1
62 1 1 1 1 8 PRO HA . 8 . HA 1 1
62 1 2 1 1 9 VAL QG . 9 . HG# 1 1
63 1 1 1 1 8 PRO QB . 8 . HB# 1 1
63 1 2 1 1 9 VAL H . 9 . HN 1 1
64 1 1 1 1 8 PRO QD . 8 . HD# 1 1
64 1 2 1 1 8 PRO QG . 8 . HG# 1 1
65 1 1 1 1 8 PRO QD . 8 . HD# 1 1
65 1 2 1 1 9 VAL H . 9 . HN 1 1
66 1 1 1 1 8 PRO QD . 8 . HD# 1 1
66 1 2 1 1 11 CYS QB . 11 . HB# 1 1
67 1 1 1 1 8 PRO QG . 8 . HG# 1 1
67 1 2 1 1 11 CYS H . 11 . HN 1 1
68 1 1 1 1 9 VAL H . 9 . HN 1 1
68 1 2 1 1 9 VAL HB . 9 . HB 1 1
69 1 1 1 1 9 VAL H . 9 . HN 1 1
69 1 2 1 1 9 VAL QG . 9 . HG# 1 1
70 1 1 1 1 9 VAL H . 9 . HN 1 1
70 1 2 1 1 10 GLY H . 10 . HN 1 1
71 1 1 1 1 9 VAL HA . 9 . HA 1 1
71 1 2 1 1 9 VAL QG . 9 . HG# 1 1
72 1 1 1 1 9 VAL HA . 9 . HA 1 1
72 1 2 1 1 10 GLY H . 10 . HN 1 1
73 1 1 1 1 9 VAL HA . 9 . HA 1 1
73 1 2 1 1 11 CYS H . 11 . HN 1 1
74 1 1 1 1 9 VAL HB . 9 . HB 1 1
74 1 2 1 1 9 VAL QG . 9 . HG# 1 1
75 1 1 1 1 9 VAL HB . 9 . HB 1 1
75 1 2 1 1 10 GLY H . 10 . HN 1 1
76 1 1 1 1 9 VAL QG . 9 . HG# 1 1
76 1 2 1 1 10 GLY H . 10 . HN 1 1
77 1 1 1 1 9 VAL QG . 9 . HG# 1 1
77 1 2 1 1 10 GLY QA . 10 . HA# 1 1
78 1 1 1 1 9 VAL QG . 9 . HG# 1 1
78 1 2 1 1 11 CYS H . 11 . HN 1 1
79 1 1 1 1 10 GLY H . 10 . HN 1 1
79 1 2 1 1 10 GLY QA . 10 . HA# 1 1
80 1 1 1 1 10 GLY H . 10 . HN 1 1
80 1 2 1 1 11 CYS H . 11 . HN 1 1
81 1 1 1 1 10 GLY QA . 10 . HA# 1 1
81 1 2 1 1 11 CYS H . 11 . HN 1 1
82 1 1 1 1 11 CYS H . 11 . HN 1 1
82 1 2 1 1 11 CYS HA . 11 . HA 1 1
83 1 1 1 1 11 CYS H . 11 . HN 1 1
83 1 2 1 1 11 CYS QB . 11 . HB# 1 1
84 1 1 1 1 11 CYS H . 11 . HN 1 1
84 1 2 1 1 12 SER H . 12 . HN 1 1
85 1 1 1 1 11 CYS H . 11 . HN 1 1
85 1 2 1 1 14 CYS QB . 14 . HB# 1 1
86 1 1 1 1 11 CYS HA . 11 . HA 1 1
86 1 2 1 1 11 CYS QB . 11 . HB# 1 1
87 1 1 1 1 11 CYS HA . 11 . HA 1 1
87 1 2 1 1 12 SER H . 12 . HN 1 1
88 1 1 1 1 11 CYS HA . 11 . HA 1 1
88 1 2 1 1 13 LYS H . 13 . HN 1 1
89 1 1 1 1 11 CYS QB . 11 . HB# 1 1
89 1 2 1 1 12 SER H . 12 . HN 1 1
90 1 1 1 1 11 CYS QB . 11 . HB# 1 1
90 1 2 1 1 13 LYS H . 13 . HN 1 1
91 1 1 1 1 11 CYS QB . 11 . HB# 1 1
91 1 2 1 1 14 CYS H . 14 . HN 1 1
92 1 1 1 1 11 CYS QB . 11 . HB# 1 1
92 1 2 1 1 14 CYS HA . 14 . HA 1 1
93 1 1 1 1 11 CYS QB . 11 . HB# 1 1
93 1 2 1 1 15 ALA H . 15 . HN 1 1
94 1 1 1 1 12 SER H . 12 . HN 1 1
94 1 2 1 1 12 SER HA . 12 . HA 1 1
95 1 1 1 1 12 SER H . 12 . HN 1 1
95 1 2 1 1 12 SER QB . 12 . HB# 1 1
96 1 1 1 1 12 SER H . 12 . HN 1 1
96 1 2 1 1 13 LYS H . 13 . HN 1 1
97 1 1 1 1 12 SER H . 12 . HN 1 1
97 1 2 1 1 13 LYS QB . 13 . HB# 1 1
98 1 1 1 1 12 SER H . 12 . HN 1 1
98 1 2 1 1 13 LYS QG . 13 . HG# 1 1
99 1 1 1 1 12 SER H . 12 . HN 1 1
99 1 2 1 1 14 CYS H . 14 . HN 1 1
100 1 1 1 1 12 SER QB . 12 . HB# 1 1
100 1 2 1 1 13 LYS H . 13 . HN 1 1
101 1 1 1 1 12 SER QB . 12 . HB# 1 1
101 1 2 1 1 13 LYS QG . 13 . HG# 1 1
102 1 1 1 1 12 SER QB . 12 . HB# 1 1
102 1 2 1 1 14 CYS H . 14 . HN 1 1
103 1 1 1 1 12 SER QB . 12 . HB# 1 1
103 1 2 1 1 15 ALA MB . 15 . HB# 1 1
104 1 1 1 1 13 LYS H . 13 . HN 1 1
104 1 2 1 1 13 LYS HA . 13 . HA 1 1
105 1 1 1 1 13 LYS H . 13 . HN 1 1
105 1 2 1 1 13 LYS QB . 13 . HB# 1 1
106 1 1 1 1 13 LYS H . 13 . HN 1 1
106 1 2 1 1 13 LYS QG . 13 . HG# 1 1
107 1 1 1 1 13 LYS H . 13 . HN 1 1
107 1 2 1 1 14 CYS H . 14 . HN 1 1
108 1 1 1 1 13 LYS H . 13 . HN 1 1
108 1 2 1 1 14 CYS HA . 14 . HA 1 1
109 1 1 1 1 13 LYS H . 13 . HN 1 1
109 1 2 1 1 14 CYS QB . 14 . HB# 1 1
110 1 1 1 1 13 LYS H . 13 . HN 1 1
110 1 2 1 1 15 ALA H . 15 . HN 1 1
111 1 1 1 1 13 LYS HA . 13 . HA 1 1
111 1 2 1 1 13 LYS QG . 13 . HG# 1 1
112 1 1 1 1 13 LYS HA . 13 . HA 1 1
112 1 2 1 1 14 CYS H . 14 . HN 1 1
113 1 1 1 1 13 LYS HA . 13 . HA 1 1
113 1 2 1 1 15 ALA H . 15 . HN 1 1
114 1 1 1 1 13 LYS QB . 13 . HB# 1 1
114 1 2 1 1 14 CYS H . 14 . HN 1 1
115 1 1 1 1 13 LYS QB . 13 . HB# 1 1
115 1 2 1 1 15 ALA H . 15 . HN 1 1
116 1 1 1 1 13 LYS QB . 13 . HB# 1 1
116 1 2 1 1 19 VAL QG . 19 . HG# 1 1
117 1 1 1 1 13 LYS QG . 13 . HG# 1 1
117 1 2 1 1 14 CYS H . 14 . HN 1 1
118 1 1 1 1 13 LYS QG . 13 . HG# 1 1
118 1 2 1 1 19 VAL QG . 19 . HG# 1 1
119 1 1 1 1 13 LYS QG . 13 . HG# 1 1
119 1 2 1 1 30 CYS HA . 30 . HA 1 1
120 1 1 1 1 14 CYS H . 14 . HN 1 1
120 1 2 1 1 14 CYS HA . 14 . HA 1 1
121 1 1 1 1 14 CYS H . 14 . HN 1 1
121 1 2 1 1 14 CYS QB . 14 . HB# 1 1
122 1 1 1 1 14 CYS H . 14 . HN 1 1
122 1 2 1 1 15 ALA H . 15 . HN 1 1
123 1 1 1 1 14 CYS H . 14 . HN 1 1
123 1 2 1 1 15 ALA HA . 15 . HA 1 1
124 1 1 1 1 14 CYS H . 14 . HN 1 1
124 1 2 1 1 19 VAL QG . 19 . HG# 1 1
125 1 1 1 1 14 CYS HA . 14 . HA 1 1
125 1 2 1 1 15 ALA H . 15 . HN 1 1
126 1 1 1 1 14 CYS HA . 14 . HA 1 1
126 1 2 1 1 16 GLN H . 16 . HN 1 1
127 1 1 1 1 14 CYS HA . 14 . HA 1 1
127 1 2 1 1 18 CYS H . 18 . HN 1 1
128 1 1 1 1 14 CYS HA . 14 . HA 1 1
128 1 2 1 1 18 CYS HA . 18 . HA 1 1
129 1 1 1 1 14 CYS QB . 14 . HB# 1 1
129 1 2 1 1 15 ALA H . 15 . HN 1 1
130 1 1 1 1 14 CYS QB . 14 . HB# 1 1
130 1 2 1 1 17 GLY H . 17 . HN 1 1
131 1 1 1 1 14 CYS QB . 14 . HB# 1 1
131 1 2 1 1 18 CYS HA . 18 . HA 1 1
132 1 1 1 1 15 ALA H . 15 . HN 1 1
132 1 2 1 1 15 ALA HA . 15 . HA 1 1
133 1 1 1 1 15 ALA H . 15 . HN 1 1
133 1 2 1 1 15 ALA MB . 15 . HB# 1 1
134 1 1 1 1 15 ALA H . 15 . HN 1 1
134 1 2 1 1 16 GLN H . 16 . HN 1 1
135 1 1 1 1 15 ALA H . 15 . HN 1 1
135 1 2 1 1 17 GLY H . 17 . HN 1 1
136 1 1 1 1 15 ALA HA . 15 . HA 1 1
136 1 2 1 1 16 GLN H . 16 . HN 1 1
137 1 1 1 1 15 ALA HA . 15 . HA 1 1
137 1 2 1 1 17 GLY H . 17 . HN 1 1
138 1 1 1 1 15 ALA MB . 15 . HB# 1 1
138 1 2 1 1 16 GLN H . 16 . HN 1 1
139 1 1 1 1 15 ALA MB . 15 . HB# 1 1
139 1 2 1 1 16 GLN QB . 16 . HB# 1 1
140 1 1 1 1 15 ALA MB . 15 . HB# 1 1
140 1 2 1 1 17 GLY H . 17 . HN 1 1
141 1 1 1 1 16 GLN H . 16 . HN 1 1
141 1 2 1 1 16 GLN HA . 16 . HA 1 1
142 1 1 1 1 16 GLN H . 16 . HN 1 1
142 1 2 1 1 16 GLN QB . 16 . HB# 1 1
143 1 1 1 1 16 GLN H . 16 . HN 1 1
143 1 2 1 1 17 GLY H . 17 . HN 1 1
144 1 1 1 1 16 GLN H . 16 . HN 1 1
144 1 2 1 1 17 GLY QA . 17 . HA# 1 1
145 1 1 1 1 16 GLN HA . 16 . HA 1 1
145 1 2 1 1 16 GLN QE . 16 . HE2# 1 1
146 1 1 1 1 16 GLN HA . 16 . HA 1 1
146 1 2 1 1 16 GLN QG . 16 . HG# 1 1
147 1 1 1 1 16 GLN HA . 16 . HA 1 1
147 1 2 1 1 17 GLY H . 17 . HN 1 1
148 1 1 1 1 16 GLN HA . 16 . HA 1 1
148 1 2 1 1 18 CYS H . 18 . HN 1 1
149 1 1 1 1 16 GLN QB . 16 . HB# 1 1
149 1 2 1 1 17 GLY H . 17 . HN 1 1
150 1 1 1 1 17 GLY H . 17 . HN 1 1
150 1 2 1 1 17 GLY QA . 17 . HA# 1 1
151 1 1 1 1 17 GLY H . 17 . HN 1 1
151 1 2 1 1 18 CYS H . 18 . HN 1 1
152 1 1 1 1 17 GLY QA . 17 . HA# 1 1
152 1 2 1 1 18 CYS H . 18 . HN 1 1
153 1 1 1 1 18 CYS H . 18 . HN 1 1
153 1 2 1 1 18 CYS QB . 18 . HB# 1 1
154 1 1 1 1 18 CYS HA . 18 . HA 1 1
154 1 2 1 1 19 VAL H . 19 . HN 1 1
155 1 1 1 1 18 CYS HA . 18 . HA 1 1
155 1 2 1 1 19 VAL QG . 19 . HG# 1 1
156 1 1 1 1 18 CYS HA . 18 . HA 1 1
156 1 2 1 1 20 CYS H . 20 . HN 1 1
157 1 1 1 1 18 CYS QB . 18 . HB# 1 1
157 1 2 1 1 19 VAL H . 19 . HN 1 1
158 1 1 1 1 19 VAL H . 19 . HN 1 1
158 1 2 1 1 19 VAL HA . 19 . HA 1 1
159 1 1 1 1 19 VAL H . 19 . HN 1 1
159 1 2 1 1 19 VAL HB . 19 . HB 1 1
160 1 1 1 1 19 VAL H . 19 . HN 1 1
160 1 2 1 1 19 VAL QG . 19 . HG# 1 1
161 1 1 1 1 19 VAL H . 19 . HN 1 1
161 1 2 1 1 20 CYS H . 20 . HN 1 1
162 1 1 1 1 19 VAL H . 19 . HN 1 1
162 1 2 1 1 20 CYS QB . 20 . HB# 1 1
163 1 1 1 1 19 VAL HA . 19 . HA 1 1
163 1 2 1 1 19 VAL HB . 19 . HB 1 1
164 1 1 1 1 19 VAL HA . 19 . HA 1 1
164 1 2 1 1 19 VAL QG . 19 . HG# 1 1
165 1 1 1 1 19 VAL HA . 19 . HA 1 1
165 1 2 1 1 20 CYS H . 20 . HN 1 1
166 1 1 1 1 19 VAL HB . 19 . HB 1 1
166 1 2 1 1 19 VAL QG . 19 . HG# 1 1
167 1 1 1 1 19 VAL QG . 19 . HG# 1 1
167 1 2 1 1 20 CYS H . 20 . HN 1 1
168 1 1 1 1 19 VAL QG . 19 . HG# 1 1
168 1 2 1 1 20 CYS HA . 20 . HA 1 1
169 1 1 1 1 19 VAL QG . 19 . HG# 1 1
169 1 2 1 1 21 LYS H . 21 . HN 1 1
170 1 1 1 1 19 VAL QG . 19 . HG# 1 1
170 1 2 1 1 29 CYS QB . 29 . HB# 1 1
171 1 1 1 1 20 CYS H . 20 . HN 1 1
171 1 2 1 1 20 CYS HA . 20 . HA 1 1
172 1 1 1 1 20 CYS H . 20 . HN 1 1
172 1 2 1 1 20 CYS QB . 20 . HB# 1 1
173 1 1 1 1 20 CYS H . 20 . HN 1 1
173 1 2 1 1 21 LYS H . 21 . HN 1 1
174 1 1 1 1 20 CYS HA . 20 . HA 1 1
174 1 2 1 1 21 LYS H . 21 . HN 1 1
175 1 1 1 1 20 CYS QB . 20 . HB# 1 1
175 1 2 1 1 21 LYS H . 21 . HN 1 1
176 1 1 1 1 20 CYS QB . 20 . HB# 1 1
176 1 2 1 1 22 GLY H . 22 . HN 1 1
177 1 1 1 1 21 LYS H . 21 . HN 1 1
177 1 2 1 1 21 LYS HA . 21 . HA 1 1
178 1 1 1 1 21 LYS H . 21 . HN 1 1
178 1 2 1 1 21 LYS QG . 21 . HG# 1 1
179 1 1 1 1 21 LYS H . 21 . HN 1 1
179 1 2 1 1 22 GLY H . 22 . HN 1 1
180 1 1 1 1 21 LYS HA . 21 . HA 1 1
180 1 2 1 1 22 GLY H . 22 . HN 1 1
181 1 1 1 1 21 LYS QB . 21 . HB# 1 1
181 1 2 1 1 22 GLY H . 22 . HN 1 1
182 1 1 1 1 21 LYS QG . 21 . HG# 1 1
182 1 2 1 1 22 GLY H . 22 . HN 1 1
183 1 1 1 1 22 GLY H . 22 . HN 1 1
183 1 2 1 1 22 GLY QA . 22 . HA# 1 1
184 1 1 1 1 22 GLY H . 22 . HN 1 1
184 1 2 1 1 23 ALA H . 23 . HN 1 1
185 1 1 1 1 22 GLY QA . 22 . HA# 1 1
185 1 2 1 1 23 ALA H . 23 . HN 1 1
186 1 1 1 1 23 ALA H . 23 . HN 1 1
186 1 2 1 1 23 ALA HA . 23 . HA 1 1
187 1 1 1 1 23 ALA H . 23 . HN 1 1
187 1 2 1 1 23 ALA MB . 23 . HB# 1 1
188 1 1 1 1 23 ALA H . 23 . HN 1 1
188 1 2 1 1 24 ALA H . 24 . HN 1 1
189 1 1 1 1 23 ALA H . 23 . HN 1 1
189 1 2 1 1 25 ASP H . 25 . HN 1 1
190 1 1 1 1 23 ALA H . 23 . HN 1 1
190 1 2 1 1 27 CYS HA . 27 . HA 1 1
191 1 1 1 1 24 ALA H . 24 . HN 1 1
191 1 2 1 1 24 ALA HA . 24 . HA 1 1
192 1 1 1 1 24 ALA H . 24 . HN 1 1
192 1 2 1 1 24 ALA MB . 24 . HB# 1 1
193 1 1 1 1 25 ASP H . 25 . HN 1 1
193 1 2 1 1 25 ASP QB . 25 . HB# 1 1
194 1 1 1 1 25 ASP H . 25 . HN 1 1
194 1 2 1 1 26 LYS H . 26 . HN 1 1
195 1 1 1 1 25 ASP H . 25 . HN 1 1
195 1 2 1 1 26 LYS QG . 26 . HG# 1 1
196 1 1 1 1 25 ASP HA . 25 . HA 1 1
196 1 2 1 1 26 LYS H . 26 . HN 1 1
197 1 1 1 1 25 ASP QB . 25 . HB# 1 1
197 1 2 1 1 26 LYS H . 26 . HN 1 1
198 1 1 1 1 26 LYS H . 26 . HN 1 1
198 1 2 1 1 26 LYS QG . 26 . HG# 1 1
199 1 1 1 1 26 LYS H . 26 . HN 1 1
199 1 2 1 1 27 CYS H . 27 . HN 1 1
200 1 1 1 1 26 LYS HA . 26 . HA 1 1
200 1 2 1 1 27 CYS H . 27 . HN 1 1
201 1 1 1 1 26 LYS QB . 26 . HB# 1 1
201 1 2 1 1 27 CYS H . 27 . HN 1 1
202 1 1 1 1 26 LYS QG . 26 . HG# 1 1
202 1 2 1 1 27 CYS H . 27 . HN 1 1
203 1 1 1 1 26 LYS QG . 26 . HG# 1 1
203 1 2 1 1 28 THR H . 28 . HN 1 1
204 1 1 1 1 27 CYS H . 27 . HN 1 1
204 1 2 1 1 27 CYS HA . 27 . HA 1 1
205 1 1 1 1 27 CYS H . 27 . HN 1 1
205 1 2 1 1 27 CYS QB . 27 . HB# 1 1
206 1 1 1 1 27 CYS H . 27 . HN 1 1
206 1 2 1 1 28 THR H . 28 . HN 1 1
207 1 1 1 1 27 CYS HA . 27 . HA 1 1
207 1 2 1 1 27 CYS QB . 27 . HB# 1 1
208 1 1 1 1 27 CYS HA . 27 . HA 1 1
208 1 2 1 1 28 THR H . 28 . HN 1 1
209 1 1 1 1 27 CYS HA . 27 . HA 1 1
209 1 2 1 1 28 THR HA . 28 . HA 1 1
210 1 1 1 1 27 CYS HA . 27 . HA 1 1
210 1 2 1 1 28 THR HG1 . 28 . HG# 1 1
210 1 2 1 1 28 THR MG . 28 . HG# 1 1
211 1 1 1 1 27 CYS HA . 27 . HA 1 1
211 1 2 1 1 29 CYS H . 29 . HN 1 1
212 1 1 1 1 27 CYS QB . 27 . HB# 1 1
212 1 2 1 1 28 THR H . 28 . HN 1 1
213 1 1 1 1 27 CYS QB . 27 . HB# 1 1
213 1 2 1 1 28 THR HG1 . 28 . HG# 1 1
213 1 2 1 1 28 THR MG . 28 . HG# 1 1
214 1 1 1 1 27 CYS QB . 27 . HB# 1 1
214 1 2 1 1 29 CYS H . 29 . HN 1 1
215 1 1 1 1 27 CYS QB . 27 . HB# 1 1
215 1 2 1 1 30 CYS H . 30 . HN 1 1
216 1 1 1 1 28 THR H . 28 . HN 1 1
216 1 2 1 1 28 THR HG1 . 28 . HG# 1 1
216 1 2 1 1 28 THR MG . 28 . HG# 1 1
217 1 1 1 1 28 THR H . 28 . HN 1 1
217 1 2 1 1 29 CYS H . 29 . HN 1 1
218 1 1 1 1 28 THR H . 28 . HN 1 1
218 1 2 1 1 30 CYS H . 30 . HN 1 1
219 1 1 1 1 28 THR HA . 28 . HA 1 1
219 1 2 1 1 28 THR HG1 . 28 . HG# 1 1
219 1 2 1 1 28 THR MG . 28 . HG# 1 1
220 1 1 1 1 28 THR HA . 28 . HA 1 1
220 1 2 1 1 30 CYS H . 30 . HN 1 1
221 1 1 1 1 28 THR HA . 28 . HA 1 1
221 1 2 1 1 31 ALA H . 31 . HN 1 1
222 1 1 1 1 28 THR HA . 28 . HA 1 1
222 1 2 1 1 31 ALA MB . 31 . HB# 1 1
223 1 1 1 1 28 THR HG1 . 28 . HG# 1 1
223 1 1 1 1 28 THR MG . 28 . HG# 1 1
223 1 2 1 1 29 CYS H . 29 . HN 1 1
224 1 1 1 1 29 CYS H . 29 . HN 1 1
224 1 2 1 1 29 CYS QB . 29 . HB# 1 1
225 1 1 1 1 29 CYS H . 29 . HN 1 1
225 1 2 1 1 30 CYS H . 30 . HN 1 1
226 1 1 1 1 29 CYS H . 29 . HN 1 1
226 1 2 1 1 30 CYS HA . 30 . HA 1 1
227 1 1 1 1 29 CYS HA . 29 . HA 1 1
227 1 2 1 1 30 CYS H . 30 . HN 1 1
228 1 1 1 1 29 CYS HA . 29 . HA 1 1
228 1 2 1 1 31 ALA H . 31 . HN 1 1
229 1 1 1 1 29 CYS QB . 29 . HB# 1 1
229 1 2 1 1 30 CYS H . 30 . HN 1 1
230 1 1 1 1 30 CYS H . 30 . HN 1 1
230 1 2 1 1 30 CYS HA . 30 . HA 1 1
231 1 1 1 1 30 CYS H . 30 . HN 1 1
231 1 2 1 1 30 CYS QB . 30 . HB# 1 1
232 1 1 1 1 30 CYS H . 30 . HN 1 1
232 1 2 1 1 31 ALA H . 31 . HN 1 1
233 1 1 1 1 30 CYS H . 30 . HN 1 1
233 1 2 1 1 31 ALA HA . 31 . HA 1 1
234 1 1 1 1 30 CYS H . 30 . HN 1 1
234 1 2 1 1 31 ALA MB . 31 . HB# 1 1
235 1 1 1 1 30 CYS HA . 30 . HA 1 1
235 1 2 1 1 31 ALA H . 31 . HN 1 1
236 1 1 1 1 30 CYS QB . 30 . HB# 1 1
236 1 2 1 1 31 ALA H . 31 . HN 1 1
237 1 1 1 1 31 ALA H . 31 . HN 1 1
237 1 2 1 1 31 ALA HA . 31 . HA 1 1
238 1 1 1 1 31 ALA H . 31 . HN 1 1
238 1 2 1 1 31 ALA MB . 31 . HB# 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 . . . . . 1.8 1.8 5.0 1 1
2 1 . . . . . 1.8 1.8 2.7 1 1
3 1 . . . . . 1.8 1.8 5.0 1 1
4 1 . . . . . 1.8 1.8 5.5 1 1
5 1 . . . . . 1.8 1.8 3.3 1 1
6 1 . . . . . 1.8 1.8 5.2 1 1
7 1 . . . . . 1.8 1.8 5.2 1 1
8 1 . . . . . 1.8 1.8 6.3 1 1
9 1 . . . . . 1.8 1.8 3.3 1 1
10 1 . . . . . 1.8 1.8 3.8 1 1
11 1 . . . . . 1.8 1.8 3.3 1 1
12 1 . . . . . 1.8 1.8 5.0 1 1
13 1 . . . . . 1.8 1.8 5.0 1 1
14 1 . . . . . 1.8 1.8 3.3 1 1
15 1 . . . . . 1.8 1.8 2.7 1 1
16 1 . . . . . 1.8 1.8 5.5 1 1
17 1 . . . . . 1.8 1.8 5.0 1 1
18 1 . . . . . 1.8 1.8 5.0 1 1
19 1 . . . . . 1.8 1.8 5.0 1 1
20 1 . . . . . 1.8 1.8 5.5 1 1
21 1 . . . . . 1.8 1.8 5.0 1 1
22 1 . . . . . 1.8 1.8 2.7 1 1
23 1 . . . . . 1.8 1.8 2.7 1 1
24 1 . . . . . 1.8 1.8 5.0 1 1
25 1 . . . . . 1.8 1.8 3.3 1 1
26 1 . . . . . 1.8 1.8 3.3 1 1
27 1 . . . . . 1.8 1.8 3.3 1 1
28 1 . . . . . 1.8 1.8 5.0 1 1
29 1 . . . . . 1.8 1.8 3.3 1 1
30 1 . . . . . 1.8 1.8 2.7 1 1
31 1 . . . . . 1.8 1.8 5.0 1 1
32 1 . . . . . 1.8 1.8 3.3 1 1
33 1 . . . . . 1.8 1.8 5.0 1 1
34 1 . . . . . 1.8 1.8 5.0 1 1
35 1 . . . . . 1.8 1.8 5.0 1 1
36 1 . . . . . 1.8 1.8 5.0 1 1
37 1 . . . . . 1.8 1.8 3.3 1 1
38 1 . . . . . 1.8 1.8 2.7 1 1
39 1 . . . . . 1.8 1.8 3.3 1 1
40 1 . . . . . 1.8 1.8 5.0 1 1
41 1 . . . . . 1.8 1.8 5.0 1 1
42 1 . . . . . 1.8 1.8 5.0 1 1
43 1 . . . . . 1.8 1.8 5.0 1 1
44 1 . . . . . 1.8 1.8 5.0 1 1
45 1 . . . . . 1.8 1.8 5.0 1 1
46 1 . . . . . 1.8 1.8 5.0 1 1
47 1 . . . . . 1.8 1.8 3.3 1 1
48 1 . . . . . 1.8 1.8 3.3 1 1
49 1 . . . . . 1.8 1.8 5.0 1 1
50 1 . . . . . 1.8 1.8 5.0 1 1
51 1 . . . . . 1.8 1.8 2.7 1 1
52 1 . . . . . 1.8 1.8 3.3 1 1
53 1 . . . . . 1.8 1.8 5.0 1 1
54 1 . . . . . 1.8 1.8 5.0 1 1
55 1 . . . . . 1.8 1.8 2.7 1 1
56 1 . . . . . 1.8 1.8 5.0 1 1
57 1 . . . . . 1.8 1.8 5.0 1 1
58 1 . . . . . 1.8 1.8 3.3 1 1
59 1 . . . . . 1.8 1.8 5.0 1 1
60 1 . . . . . 1.8 1.8 5.0 1 1
61 1 . . . . . 1.8 1.8 5.0 1 1
62 1 . . . . . 1.8 1.8 5.5 1 1
63 1 . . . . . 1.8 1.8 5.0 1 1
64 1 . . . . . 1.8 1.8 3.3 1 1
65 1 . . . . . 1.8 1.8 5.0 1 1
66 1 . . . . . 1.8 1.8 5.0 1 1
67 1 . . . . . 1.8 1.8 5.0 1 1
68 1 . . . . . 1.8 1.8 3.3 1 1
69 1 . . . . . 1.8 1.8 3.8 1 1
70 1 . . . . . 1.8 1.8 5.0 1 1
71 1 . . . . . 1.8 1.8 3.8 1 1
72 1 . . . . . 1.8 1.8 3.3 1 1
73 1 . . . . . 1.8 1.8 5.0 1 1
74 1 . . . . . 1.8 1.8 3.2 1 1
75 1 . . . . . 1.8 1.8 5.0 1 1
76 1 . . . . . 1.8 1.8 3.8 1 1
77 1 . . . . . 1.8 1.8 5.5 1 1
78 1 . . . . . 1.8 1.8 5.5 1 1
79 1 . . . . . 1.8 1.8 2.7 1 1
80 1 . . . . . 1.8 1.8 2.7 1 1
81 1 . . . . . 1.8 1.8 3.3 1 1
82 1 . . . . . 1.8 1.8 2.7 1 1
83 1 . . . . . 1.8 1.8 2.7 1 1
84 1 . . . . . 1.8 1.8 5.0 1 1
85 1 . . . . . 1.8 1.8 5.0 1 1
86 1 . . . . . 1.8 1.8 2.7 1 1
87 1 . . . . . 1.8 1.8 2.7 1 1
88 1 . . . . . 1.8 1.8 5.0 1 1
89 1 . . . . . 1.8 1.8 3.3 1 1
90 1 . . . . . 1.8 1.8 5.0 1 1
91 1 . . . . . 1.8 1.8 3.3 1 1
92 1 . . . . . 1.8 1.8 5.0 1 1
93 1 . . . . . 1.8 1.8 5.0 1 1
94 1 . . . . . 1.8 1.8 2.7 1 1
95 1 . . . . . 1.8 1.8 2.7 1 1
96 1 . . . . . 1.8 1.8 2.7 1 1
97 1 . . . . . 1.8 1.8 5.0 1 1
98 1 . . . . . 1.8 1.8 5.0 1 1
99 1 . . . . . 1.8 1.8 5.0 1 1
100 1 . . . . . 1.8 1.8 3.3 1 1
101 1 . . . . . 1.8 1.8 5.0 1 1
102 1 . . . . . 1.8 1.8 5.0 1 1
103 1 . . . . . 1.8 1.8 5.0 1 1
104 1 . . . . . 1.8 1.8 2.7 1 1
105 1 . . . . . 1.8 1.8 2.7 1 1
106 1 . . . . . 1.8 1.8 5.0 1 1
107 1 . . . . . 1.8 1.8 2.7 1 1
108 1 . . . . . 1.8 1.8 5.0 1 1
109 1 . . . . . 1.8 1.8 5.0 1 1
110 1 . . . . . 1.8 1.8 3.3 1 1
111 1 . . . . . 1.8 1.8 3.3 1 1
112 1 . . . . . 1.8 1.8 3.3 1 1
113 1 . . . . . 1.8 1.8 5.0 1 1
114 1 . . . . . 1.8 1.8 3.3 1 1
115 1 . . . . . 1.8 1.8 5.0 1 1
116 1 . . . . . 1.8 1.8 3.8 1 1
117 1 . . . . . 1.8 1.8 5.0 1 1
118 1 . . . . . 1.8 1.8 5.5 1 1
119 1 . . . . . 1.8 1.8 3.3 1 1
120 1 . . . . . 1.8 1.8 2.7 1 1
121 1 . . . . . 1.8 1.8 2.7 1 1
122 1 . . . . . 1.8 1.8 3.3 1 1
123 1 . . . . . 1.8 1.8 5.0 1 1
124 1 . . . . . 1.8 1.8 5.5 1 1
125 1 . . . . . 1.8 1.8 3.3 1 1
126 1 . . . . . 1.8 1.8 5.0 1 1
127 1 . . . . . 1.8 1.8 5.0 1 1
128 1 . . . . . 1.8 1.8 3.3 1 1
129 1 . . . . . 1.8 1.8 5.0 1 1
130 1 . . . . . 1.8 1.8 5.0 1 1
131 1 . . . . . 1.8 1.8 5.0 1 1
132 1 . . . . . 1.8 1.8 2.7 1 1
133 1 . . . . . 1.8 1.8 3.2 1 1
134 1 . . . . . 1.8 1.8 2.7 1 1
135 1 . . . . . 1.8 1.8 5.0 1 1
136 1 . . . . . 1.8 1.8 3.3 1 1
137 1 . . . . . 1.8 1.8 5.0 1 1
138 1 . . . . . 1.8 1.8 5.5 1 1
139 1 . . . . . 1.8 1.8 5.0 1 1
140 1 . . . . . 1.8 1.8 5.5 1 1
141 1 . . . . . 1.8 1.8 2.7 1 1
142 1 . . . . . 1.8 1.8 2.7 1 1
143 1 . . . . . 1.8 1.8 2.7 1 1
144 1 . . . . . 1.8 1.8 5.0 1 1
145 1 . . . . . 1.8 1.8 5.0 1 1
146 1 . . . . . 1.8 1.8 3.3 1 1
147 1 . . . . . 1.8 1.8 3.3 1 1
148 1 . . . . . 1.8 1.8 5.0 1 1
149 1 . . . . . 1.8 1.8 5.0 1 1
150 1 . . . . . 1.8 1.8 2.7 1 1
151 1 . . . . . 1.8 1.8 2.7 1 1
152 1 . . . . . 1.8 1.8 2.7 1 1
153 1 . . . . . 1.8 1.8 3.3 1 1
154 1 . . . . . 1.8 1.8 3.3 1 1
155 1 . . . . . 1.8 1.8 5.5 1 1
156 1 . . . . . 1.8 1.8 2.7 1 1
157 1 . . . . . 1.8 1.8 5.0 1 1
158 1 . . . . . 1.8 1.8 2.7 1 1
159 1 . . . . . 1.8 1.8 3.3 1 1
160 1 . . . . . 1.8 1.8 3.2 1 1
161 1 . . . . . 1.8 1.8 2.7 1 1
162 1 . . . . . 1.8 1.8 5.0 1 1
163 1 . . . . . 1.8 1.8 2.7 1 1
164 1 . . . . . 1.8 1.8 3.8 1 1
165 1 . . . . . 1.8 1.8 2.7 1 1
166 1 . . . . . 1.8 1.8 3.2 1 1
167 1 . . . . . 1.8 1.8 3.8 1 1
168 1 . . . . . 1.8 1.8 5.5 1 1
169 1 . . . . . 1.8 1.8 5.5 1 1
170 1 . . . . . 1.8 1.8 3.8 1 1
171 1 . . . . . 1.8 1.8 2.7 1 1
172 1 . . . . . 1.8 1.8 2.7 1 1
173 1 . . . . . 1.8 1.8 5.0 1 1
174 1 . . . . . 1.8 1.8 3.3 1 1
175 1 . . . . . 1.8 1.8 5.0 1 1
176 1 . . . . . 1.8 1.8 5.0 1 1
177 1 . . . . . 1.8 1.8 2.7 1 1
178 1 . . . . . 1.8 1.8 5.0 1 1
179 1 . . . . . 1.8 1.8 3.3 1 1
180 1 . . . . . 1.8 1.8 3.3 1 1
181 1 . . . . . 1.8 1.8 3.3 1 1
182 1 . . . . . 1.8 1.8 5.0 1 1
183 1 . . . . . 1.8 1.8 2.7 1 1
184 1 . . . . . 1.8 1.8 2.7 1 1
185 1 . . . . . 1.8 1.8 3.3 1 1
186 1 . . . . . 1.8 1.8 2.7 1 1
187 1 . . . . . 1.8 1.8 3.8 1 1
188 1 . . . . . 1.8 1.8 5.0 1 1
189 1 . . . . . 1.8 1.8 3.3 1 1
190 1 . . . . . 1.8 1.8 5.0 1 1
191 1 . . . . . 1.8 1.8 2.7 1 1
192 1 . . . . . 1.8 1.8 3.8 1 1
193 1 . . . . . 1.8 1.8 2.7 1 1
194 1 . . . . . 1.8 1.8 2.7 1 1
195 1 . . . . . 1.8 1.8 5.0 1 1
196 1 . . . . . 1.8 1.8 3.3 1 1
197 1 . . . . . 1.8 1.8 2.7 1 1
198 1 . . . . . 1.8 1.8 5.0 1 1
199 1 . . . . . 1.8 1.8 5.0 1 1
200 1 . . . . . 1.8 1.8 2.7 1 1
201 1 . . . . . 1.8 1.8 5.0 1 1
202 1 . . . . . 1.8 1.8 5.0 1 1
203 1 . . . . . 1.8 1.8 5.0 1 1
204 1 . . . . . 1.8 1.8 2.7 1 1
205 1 . . . . . 1.8 1.8 3.3 1 1
206 1 . . . . . 1.8 1.8 5.0 1 1
207 1 . . . . . 1.8 1.8 2.7 1 1
208 1 . . . . . 1.8 1.8 2.7 1 1
209 1 . . . . . 1.8 1.8 5.0 1 1
210 1 . . . . . 1.8 1.8 5.5 1 1
211 1 . . . . . 1.8 1.8 3.3 1 1
212 1 . . . . . 1.8 1.8 5.0 1 1
213 1 . . . . . 1.8 1.8 5.5 1 1
214 1 . . . . . 1.8 1.8 3.3 1 1
215 1 . . . . . 1.8 1.8 5.0 1 1
216 1 . . . . . 1.8 1.8 3.8 1 1
217 1 . . . . . 1.8 1.8 2.7 1 1
218 1 . . . . . 1.8 1.8 5.0 1 1
219 1 . . . . . 1.8 1.8 3.8 1 1
220 1 . . . . . 1.8 1.8 5.0 1 1
221 1 . . . . . 1.8 1.8 5.0 1 1
222 1 . . . . . 1.8 1.8 5.5 1 1
223 1 . . . . . 1.8 1.8 5.5 1 1
224 1 . . . . . 1.8 1.8 3.3 1 1
225 1 . . . . . 1.8 1.8 2.7 1 1
226 1 . . . . . 1.8 1.8 5.0 1 1
227 1 . . . . . 1.8 1.8 3.3 1 1
228 1 . . . . . 1.8 1.8 5.0 1 1
229 1 . . . . . 1.8 1.8 5.0 1 1
230 1 . . . . . 1.8 1.8 2.7 1 1
231 1 . . . . . 1.8 1.8 2.7 1 1
232 1 . . . . . 1.8 1.8 2.7 1 1
233 1 . . . . . 1.8 1.8 5.0 1 1
234 1 . . . . . 1.8 1.8 5.5 1 1
235 1 . . . . . 1.8 1.8 2.7 1 1
236 1 . . . . . 1.8 1.8 5.0 1 1
237 1 . . . . . 1.8 1.8 2.7 1 1
238 1 . . . . . 1.8 1.8 3.8 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 LYS C C 10.527 4.513 -2.683 1.00 . A A . 1 LYS C 1 1
1 2 1 1 1 LYS CA C 11.033 6.019 -2.164 1.00 . A A . 1 LYS CA 1 1
1 3 1 1 1 LYS CB C 10.259 7.248 -3.041 1.00 . A A . 1 LYS CB 1 1
1 4 1 1 1 LYS CD C 9.360 9.906 -3.111 1.00 . A A . 1 LYS CD 1 1
1 5 1 1 1 LYS CE C 10.095 10.486 -4.473 1.00 . A A . 1 LYS CE 1 1
1 6 1 1 1 LYS CG C 10.184 8.719 -2.308 1.00 . A A . 1 LYS CG 1 1
1 7 1 1 1 LYS H1 H 13.124 5.480 -1.647 1.00 . A A . 1 LYS H1 1 1
1 8 1 1 1 LYS H2 H 12.900 7.147 -1.764 1.00 . A A . 1 LYS H2 1 1
1 9 1 1 1 LYS H3 H 13.014 6.206 -3.190 1.00 . A A . 1 LYS H3 1 1
1 10 1 1 1 LYS HA H 10.747 6.090 -1.109 1.00 . A A . 1 LYS HA 1 1
1 11 1 1 1 LYS HB2 H 10.768 7.366 -3.987 1.00 . A A . 1 LYS HB2 1 1
1 12 1 1 1 LYS HB3 H 9.231 6.945 -3.267 1.00 . A A . 1 LYS HB3 1 1
1 13 1 1 1 LYS HD2 H 8.359 9.551 -3.363 1.00 . A A . 1 LYS HD2 1 1
1 14 1 1 1 LYS HD3 H 9.236 10.732 -2.422 1.00 . A A . 1 LYS HD3 1 1
1 15 1 1 1 LYS HE2 H 11.036 10.942 -4.196 1.00 . A A . 1 LYS HE2 1 1
1 16 1 1 1 LYS HE3 H 10.295 9.661 -5.162 1.00 . A A . 1 LYS HE3 1 1
1 17 1 1 1 LYS HG2 H 9.683 8.586 -1.351 1.00 . A A . 1 LYS HG2 1 1
1 18 1 1 1 LYS HG3 H 11.195 9.063 -2.102 1.00 . A A . 1 LYS HG3 1 1
1 19 1 1 1 LYS HZ1 H 8.316 11.161 -5.539 1.00 . A A . 1 LYS HZ1 1 1
1 20 1 1 1 LYS HZ2 H 9.758 11.862 -6.082 1.00 . A A . 1 LYS HZ2 1 1
1 21 1 1 1 LYS HZ3 H 9.073 12.402 -4.635 1.00 . A A . 1 LYS HZ3 1 1
1 22 1 1 1 LYS N N 12.638 6.231 -2.198 1.00 . A A . 1 LYS N 1 1
1 23 1 1 1 LYS NZ N 9.237 11.554 -5.224 1.00 . A A . 1 LYS NZ 1 1
1 24 1 1 1 LYS O O 11.332 3.798 -3.325 1.00 . A A . 1 LYS O 1 1
1 25 1 1 2 SER C C 7.162 2.878 -3.846 1.00 . A A . 2 SER C 1 1
1 26 1 1 2 SER CA C 8.492 2.654 -2.844 1.00 . A A . 2 SER CA 1 1
1 27 1 1 2 SER CB C 8.251 1.759 -1.496 1.00 . A A . 2 SER CB 1 1
1 28 1 1 2 SER H H 8.561 4.702 -1.890 1.00 . A A . 2 SER H 1 1
1 29 1 1 2 SER HA H 9.237 2.092 -3.444 1.00 . A A . 2 SER HA 1 1
1 30 1 1 2 SER HB2 H 9.155 1.720 -0.909 1.00 . A A . 2 SER HB2 1 1
1 31 1 1 2 SER HB3 H 7.467 2.220 -0.895 1.00 . A A . 2 SER HB3 1 1
1 32 1 1 2 SER HG H 7.599 -0.101 -1.041 1.00 . A A . 2 SER HG 1 1
1 33 1 1 2 SER N N 9.156 4.068 -2.398 1.00 . A A . 2 SER N 1 1
1 34 1 1 2 SER O O 7.402 2.904 -5.075 1.00 . A A . 2 SER O 1 1
1 35 1 1 2 SER OG O 7.883 0.380 -1.832 1.00 . A A . 2 SER OG 1 1
1 36 1 1 3 CYS C C 3.150 3.985 -3.665 1.00 . A A . 3 CYS C 1 1
1 37 1 1 3 CYS CA C 4.409 3.066 -4.280 1.00 . A A . 3 CYS CA 1 1
1 38 1 1 3 CYS CB C 3.898 1.490 -4.630 1.00 . A A . 3 CYS CB 1 1
1 39 1 1 3 CYS H H 5.604 2.875 -2.405 1.00 . A A . 3 CYS H 1 1
1 40 1 1 3 CYS HA H 4.682 3.510 -5.250 1.00 . A A . 3 CYS HA 1 1
1 41 1 1 3 CYS HB2 H 3.056 1.530 -5.296 1.00 . A A . 3 CYS HB2 1 1
1 42 1 1 3 CYS HB3 H 4.700 1.021 -5.185 1.00 . A A . 3 CYS HB3 1 1
1 43 1 1 3 CYS HG H 4.166 -0.272 -3.035 1.00 . A A . 3 CYS HG 1 1
1 44 1 1 3 CYS N N 5.766 2.960 -3.364 1.00 . A A . 3 CYS N 1 1
1 45 1 1 3 CYS O O 2.487 4.675 -4.469 1.00 . A A . 3 CYS O 1 1
1 46 1 1 3 CYS SG S 3.409 0.288 -3.236 1.00 . A A . 3 CYS SG 1 1
1 47 1 1 4 CYS C C 1.708 5.721 -0.541 1.00 . A A . 4 CYS C 1 1
1 48 1 1 4 CYS CA C 1.464 4.448 -1.565 1.00 . A A . 4 CYS CA 1 1
1 49 1 1 4 CYS CB C 0.763 3.184 -0.669 1.00 . A A . 4 CYS CB 1 1
1 50 1 1 4 CYS H H 3.313 3.214 -1.723 1.00 . A A . 4 CYS H 1 1
1 51 1 1 4 CYS HA H 0.749 4.759 -2.320 1.00 . A A . 4 CYS HA 1 1
1 52 1 1 4 CYS HB2 H 1.528 2.700 -0.079 1.00 . A A . 4 CYS HB2 1 1
1 53 1 1 4 CYS HB3 H 0.045 3.598 0.035 1.00 . A A . 4 CYS HB3 1 1
1 54 1 1 4 CYS HG H 0.103 0.988 -1.164 1.00 . A A . 4 CYS HG 1 1
1 55 1 1 4 CYS N N 2.774 3.829 -2.281 1.00 . A A . 4 CYS N 1 1
1 56 1 1 4 CYS O O 2.736 5.755 0.180 1.00 . A A . 4 CYS O 1 1
1 57 1 1 4 CYS SG S -0.148 1.830 -1.547 1.00 . A A . 4 CYS SG 1 1
1 58 1 1 5 SER C C -0.571 7.203 2.043 1.00 . A A . 5 SER C 1 1
1 59 1 1 5 SER CA C 0.422 7.780 0.787 1.00 . A A . 5 SER CA 1 1
1 60 1 1 5 SER CB C -0.118 9.146 0.091 1.00 . A A . 5 SER CB 1 1
1 61 1 1 5 SER H H -0.258 6.416 -0.876 1.00 . A A . 5 SER H 1 1
1 62 1 1 5 SER HA H 1.401 7.974 1.236 1.00 . A A . 5 SER HA 1 1
1 63 1 1 5 SER HB2 H -1.046 8.953 -0.429 1.00 . A A . 5 SER HB2 1 1
1 64 1 1 5 SER HB3 H -0.313 9.900 0.861 1.00 . A A . 5 SER HB3 1 1
1 65 1 1 5 SER HG H 0.517 10.469 -1.296 1.00 . A A . 5 SER HG 1 1
1 66 1 1 5 SER N N 0.580 6.621 -0.352 1.00 . A A . 5 SER N 1 1
1 67 1 1 5 SER O O -0.608 7.849 3.116 1.00 . A A . 5 SER O 1 1
1 68 1 1 5 SER OG O 0.865 9.673 -0.855 1.00 . A A . 5 SER OG 1 1
1 69 1 1 6 CYS C C -1.223 4.106 3.939 1.00 . A A . 6 CYS C 1 1
1 70 1 1 6 CYS CA C -2.170 5.085 3.001 1.00 . A A . 6 CYS CA 1 1
1 71 1 1 6 CYS CB C -3.435 4.234 2.285 1.00 . A A . 6 CYS CB 1 1
1 72 1 1 6 CYS H H -1.115 5.434 1.090 1.00 . A A . 6 CYS H 1 1
1 73 1 1 6 CYS HA H -2.633 5.812 3.655 1.00 . A A . 6 CYS HA 1 1
1 74 1 1 6 CYS HB2 H -4.002 3.704 3.046 1.00 . A A . 6 CYS HB2 1 1
1 75 1 1 6 CYS HB3 H -4.102 4.972 1.885 1.00 . A A . 6 CYS HB3 1 1
1 76 1 1 6 CYS HG H -3.235 3.447 0.056 1.00 . A A . 6 CYS HG 1 1
1 77 1 1 6 CYS N N -1.272 5.915 1.911 1.00 . A A . 6 CYS N 1 1
1 78 1 1 6 CYS O O -1.546 3.942 5.136 1.00 . A A . 6 CYS O 1 1
1 79 1 1 6 CYS SG S -3.127 2.986 0.893 1.00 . A A . 6 CYS SG 1 1
1 80 1 1 7 CYS C C 2.349 3.269 4.510 1.00 . A A . 7 CYS C 1 1
1 81 1 1 7 CYS CA C 0.969 2.452 4.064 1.00 . A A . 7 CYS CA 1 1
1 82 1 1 7 CYS CB C 1.319 1.162 3.062 1.00 . A A . 7 CYS CB 1 1
1 83 1 1 7 CYS H H 0.105 3.625 2.429 1.00 . A A . 7 CYS H 1 1
1 84 1 1 7 CYS HA H 0.531 2.069 4.986 1.00 . A A . 7 CYS HA 1 1
1 85 1 1 7 CYS HB2 H 1.833 1.505 2.179 1.00 . A A . 7 CYS HB2 1 1
1 86 1 1 7 CYS HB3 H 1.991 0.485 3.593 1.00 . A A . 7 CYS HB3 1 1
1 87 1 1 7 CYS HG H -0.466 -0.336 3.232 1.00 . A A . 7 CYS HG 1 1
1 88 1 1 7 CYS N N -0.079 3.456 3.357 1.00 . A A . 7 CYS N 1 1
1 89 1 1 7 CYS O O 2.585 4.363 3.935 1.00 . A A . 7 CYS O 1 1
1 90 1 1 7 CYS SG S -0.132 0.152 2.474 1.00 . A A . 7 CYS SG 1 1
1 91 1 1 8 PRO C C 5.971 3.189 5.061 1.00 . A A . 8 PRO C 1 1
1 92 1 1 8 PRO CA C 4.604 3.463 6.023 1.00 . A A . 8 PRO CA 1 1
1 93 1 1 8 PRO CB C 4.665 2.922 7.548 1.00 . A A . 8 PRO CB 1 1
1 94 1 1 8 PRO CD C 3.133 1.368 6.336 1.00 . A A . 8 PRO CD 1 1
1 95 1 1 8 PRO CG C 4.050 1.504 7.559 1.00 . A A . 8 PRO CG 1 1
1 96 1 1 8 PRO HA H 4.471 4.543 6.032 1.00 . A A . 8 PRO HA 1 1
1 97 1 1 8 PRO HB2 H 5.671 2.914 7.952 1.00 . A A . 8 PRO HB2 1 1
1 98 1 1 8 PRO HB3 H 4.054 3.584 8.182 1.00 . A A . 8 PRO HB3 1 1
1 99 1 1 8 PRO HD2 H 3.437 0.540 5.692 1.00 . A A . 8 PRO HD2 1 1
1 100 1 1 8 PRO HD3 H 2.098 1.215 6.648 1.00 . A A . 8 PRO HD3 1 1
1 101 1 1 8 PRO HG2 H 4.862 0.757 7.495 1.00 . A A . 8 PRO HG2 1 1
1 102 1 1 8 PRO HG3 H 3.500 1.329 8.471 1.00 . A A . 8 PRO HG3 1 1
1 103 1 1 8 PRO N N 3.271 2.704 5.537 1.00 . A A . 8 PRO N 1 1
1 104 1 1 8 PRO O O 7.087 3.100 5.624 1.00 . A A . 8 PRO O 1 1
1 105 1 1 9 VAL C C 7.640 1.287 2.584 1.00 . A A . 9 VAL C 1 1
1 106 1 1 9 VAL CA C 7.086 2.840 2.485 1.00 . A A . 9 VAL CA 1 1
1 107 1 1 9 VAL CB C 8.240 4.110 2.578 1.00 . A A . 9 VAL CB 1 1
1 108 1 1 9 VAL CG1 C 9.648 3.831 1.798 1.00 . A A . 9 VAL CG1 1 1
1 109 1 1 9 VAL CG2 C 7.570 5.563 2.179 1.00 . A A . 9 VAL CG2 1 1
1 110 1 1 9 VAL H H 5.028 3.223 3.179 1.00 . A A . 9 VAL H 1 1
1 111 1 1 9 VAL HA H 6.611 2.898 1.507 1.00 . A A . 9 VAL HA 1 1
1 112 1 1 9 VAL HB H 8.514 4.188 3.618 1.00 . A A . 9 VAL HB 1 1
1 113 1 1 9 VAL HG11 H 10.317 4.670 1.888 1.00 . A A . 9 VAL HG11 1 1
1 114 1 1 9 VAL HG12 H 9.469 3.614 0.749 1.00 . A A . 9 VAL HG12 1 1
1 115 1 1 9 VAL HG13 H 10.138 2.969 2.252 1.00 . A A . 9 VAL HG13 1 1
1 116 1 1 9 VAL HG21 H 8.263 6.364 2.367 1.00 . A A . 9 VAL HG21 1 1
1 117 1 1 9 VAL HG22 H 6.691 5.751 2.797 1.00 . A A . 9 VAL HG22 1 1
1 118 1 1 9 VAL HG23 H 7.268 5.571 1.131 1.00 . A A . 9 VAL HG23 1 1
1 119 1 1 9 VAL N N 5.886 3.095 3.590 1.00 . A A . 9 VAL N 1 1
1 120 1 1 9 VAL O O 7.465 0.516 1.607 1.00 . A A . 9 VAL O 1 1
1 121 1 1 10 GLY C C 7.792 -1.753 4.537 1.00 . A A . 10 GLY C 1 1
1 122 1 1 10 GLY CA C 8.875 -0.568 4.130 1.00 . A A . 10 GLY CA 1 1
1 123 1 1 10 GLY H H 8.382 1.532 4.485 1.00 . A A . 10 GLY H 1 1
1 124 1 1 10 GLY HA2 H 9.446 -0.923 3.274 1.00 . A A . 10 GLY HA2 1 1
1 125 1 1 10 GLY HA3 H 9.573 -0.425 4.948 1.00 . A A . 10 GLY HA3 1 1
1 126 1 1 10 GLY N N 8.284 0.860 3.786 1.00 . A A . 10 GLY N 1 1
1 127 1 1 10 GLY O O 8.180 -2.630 5.328 1.00 . A A . 10 GLY O 1 1
1 128 1 1 11 CYS C C 5.728 -4.537 3.971 1.00 . A A . 11 CYS C 1 1
1 129 1 1 11 CYS CA C 5.239 -2.915 4.156 1.00 . A A . 11 CYS CA 1 1
1 130 1 1 11 CYS CB C 4.009 -2.528 3.049 1.00 . A A . 11 CYS CB 1 1
1 131 1 1 11 CYS H H 6.243 -1.063 3.355 1.00 . A A . 11 CYS H 1 1
1 132 1 1 11 CYS HA H 4.878 -2.775 5.159 1.00 . A A . 11 CYS HA 1 1
1 133 1 1 11 CYS HB2 H 4.037 -1.489 2.813 1.00 . A A . 11 CYS HB2 1 1
1 134 1 1 11 CYS HB3 H 4.204 -3.062 2.133 1.00 . A A . 11 CYS HB3 1 1
1 135 1 1 11 CYS HG H 1.796 -3.248 2.740 1.00 . A A . 11 CYS HG 1 1
1 136 1 1 11 CYS N N 6.457 -1.794 3.949 1.00 . A A . 11 CYS N 1 1
1 137 1 1 11 CYS O O 6.851 -4.789 3.475 1.00 . A A . 11 CYS O 1 1
1 138 1 1 11 CYS SG S 2.223 -2.822 3.483 1.00 . A A . 11 CYS SG 1 1
1 139 1 1 12 SER C C 4.246 -7.794 2.839 1.00 . A A . 12 SER C 1 1
1 140 1 1 12 SER CA C 5.037 -7.189 4.165 1.00 . A A . 12 SER CA 1 1
1 141 1 1 12 SER CB C 4.481 -7.875 5.534 1.00 . A A . 12 SER CB 1 1
1 142 1 1 12 SER H H 3.928 -5.319 4.620 1.00 . A A . 12 SER H 1 1
1 143 1 1 12 SER HA H 6.101 -7.411 4.077 1.00 . A A . 12 SER HA 1 1
1 144 1 1 12 SER HB2 H 3.462 -7.518 5.745 1.00 . A A . 12 SER HB2 1 1
1 145 1 1 12 SER HB3 H 4.431 -8.952 5.411 1.00 . A A . 12 SER HB3 1 1
1 146 1 1 12 SER HG H 5.037 -6.807 7.172 1.00 . A A . 12 SER HG 1 1
1 147 1 1 12 SER N N 4.823 -5.584 4.313 1.00 . A A . 12 SER N 1 1
1 148 1 1 12 SER O O 4.778 -8.746 2.229 1.00 . A A . 12 SER O 1 1
1 149 1 1 12 SER OG O 5.352 -7.588 6.681 1.00 . A A . 12 SER OG 1 1
1 150 1 1 13 LYS C C 2.554 -6.768 -0.193 1.00 . A A . 13 LYS C 1 1
1 151 1 1 13 LYS CA C 2.065 -7.629 1.142 1.00 . A A . 13 LYS CA 1 1
1 152 1 1 13 LYS CB C 0.475 -7.313 1.505 1.00 . A A . 13 LYS CB 1 1
1 153 1 1 13 LYS CD C -0.710 -9.651 2.507 1.00 . A A . 13 LYS CD 1 1
1 154 1 1 13 LYS CE C -1.490 -10.362 3.774 1.00 . A A . 13 LYS CE 1 1
1 155 1 1 13 LYS CG C -0.223 -8.103 2.772 1.00 . A A . 13 LYS CG 1 1
1 156 1 1 13 LYS H H 2.642 -6.435 2.883 1.00 . A A . 13 LYS H 1 1
1 157 1 1 13 LYS HA H 2.170 -8.672 0.958 1.00 . A A . 13 LYS HA 1 1
1 158 1 1 13 LYS HB2 H 0.403 -6.241 1.736 1.00 . A A . 13 LYS HB2 1 1
1 159 1 1 13 LYS HB3 H -0.104 -7.495 0.619 1.00 . A A . 13 LYS HB3 1 1
1 160 1 1 13 LYS HD2 H -1.380 -9.671 1.650 1.00 . A A . 13 LYS HD2 1 1
1 161 1 1 13 LYS HD3 H 0.164 -10.250 2.270 1.00 . A A . 13 LYS HD3 1 1
1 162 1 1 13 LYS HE2 H -0.826 -10.404 4.634 1.00 . A A . 13 LYS HE2 1 1
1 163 1 1 13 LYS HE3 H -2.370 -9.777 4.041 1.00 . A A . 13 LYS HE3 1 1
1 164 1 1 13 LYS HG2 H 0.467 -8.089 3.616 1.00 . A A . 13 LYS HG2 1 1
1 165 1 1 13 LYS HG3 H -1.093 -7.509 3.056 1.00 . A A . 13 LYS HG3 1 1
1 166 1 1 13 LYS HZ1 H -2.698 -11.829 2.705 1.00 . A A . 13 LYS HZ1 1 1
1 167 1 1 13 LYS HZ2 H -2.364 -12.242 4.310 1.00 . A A . 13 LYS HZ2 1 1
1 168 1 1 13 LYS HZ3 H -1.152 -12.431 3.145 1.00 . A A . 13 LYS HZ3 1 1
1 169 1 1 13 LYS N N 2.985 -7.215 2.401 1.00 . A A . 13 LYS N 1 1
1 170 1 1 13 LYS NZ N -1.953 -11.822 3.446 1.00 . A A . 13 LYS NZ 1 1
1 171 1 1 13 LYS O O 2.711 -7.369 -1.276 1.00 . A A . 13 LYS O 1 1
1 172 1 1 14 CYS C C 5.072 -4.325 -1.261 1.00 . A A . 14 CYS C 1 1
1 173 1 1 14 CYS CA C 3.377 -4.303 -1.128 1.00 . A A . 14 CYS CA 1 1
1 174 1 1 14 CYS CB C 2.813 -2.779 -0.692 1.00 . A A . 14 CYS CB 1 1
1 175 1 1 14 CYS H H 2.716 -4.979 0.863 1.00 . A A . 14 CYS H 1 1
1 176 1 1 14 CYS HA H 2.990 -4.570 -2.076 1.00 . A A . 14 CYS HA 1 1
1 177 1 1 14 CYS HB2 H 3.058 -2.606 0.295 1.00 . A A . 14 CYS HB2 1 1
1 178 1 1 14 CYS HB3 H 3.336 -2.067 -1.238 1.00 . A A . 14 CYS HB3 1 1
1 179 1 1 14 CYS HG H 0.783 -1.771 -0.105 1.00 . A A . 14 CYS HG 1 1
1 180 1 1 14 CYS N N 2.833 -5.351 -0.034 1.00 . A A . 14 CYS N 1 1
1 181 1 1 14 CYS O O 5.620 -3.436 -1.971 1.00 . A A . 14 CYS O 1 1
1 182 1 1 14 CYS SG S 1.014 -2.366 -0.822 1.00 . A A . 14 CYS SG 1 1
1 183 1 1 15 ALA C C 8.260 -5.557 -2.145 1.00 . A A . 15 ALA C 1 1
1 184 1 1 15 ALA CA C 7.551 -5.460 -0.640 1.00 . A A . 15 ALA CA 1 1
1 185 1 1 15 ALA CB C 7.991 -6.699 0.311 1.00 . A A . 15 ALA CB 1 1
1 186 1 1 15 ALA H H 5.428 -6.033 -0.096 1.00 . A A . 15 ALA H 1 1
1 187 1 1 15 ALA HA H 7.891 -4.571 -0.180 1.00 . A A . 15 ALA HA 1 1
1 188 1 1 15 ALA HB1 H 7.612 -6.535 1.313 1.00 . A A . 15 ALA HB1 1 1
1 189 1 1 15 ALA HB2 H 9.072 -6.795 0.373 1.00 . A A . 15 ALA HB2 1 1
1 190 1 1 15 ALA HB3 H 7.569 -7.633 -0.068 1.00 . A A . 15 ALA HB3 1 1
1 191 1 1 15 ALA N N 5.901 -5.341 -0.609 1.00 . A A . 15 ALA N 1 1
1 192 1 1 15 ALA O O 9.317 -4.916 -2.355 1.00 . A A . 15 ALA O 1 1
1 193 1 1 16 GLN C C 6.893 -6.107 -5.733 1.00 . A A . 16 GLN C 1 1
1 194 1 1 16 GLN CA C 8.089 -6.589 -4.681 1.00 . A A . 16 GLN CA 1 1
1 195 1 1 16 GLN CB C 8.539 -8.183 -4.801 1.00 . A A . 16 GLN CB 1 1
1 196 1 1 16 GLN CD C 10.033 -10.052 -6.140 1.00 . A A . 16 GLN CD 1 1
1 197 1 1 16 GLN CG C 9.180 -8.677 -6.243 1.00 . A A . 16 GLN CG 1 1
1 198 1 1 16 GLN H H 6.807 -6.810 -2.846 1.00 . A A . 16 GLN H 1 1
1 199 1 1 16 GLN HA H 8.952 -5.987 -4.883 1.00 . A A . 16 GLN HA 1 1
1 200 1 1 16 GLN HB2 H 9.279 -8.352 -4.013 1.00 . A A . 16 GLN HB2 1 1
1 201 1 1 16 GLN HB3 H 7.669 -8.814 -4.568 1.00 . A A . 16 GLN HB3 1 1
1 202 1 1 16 GLN HE21 H 11.928 -9.246 -5.961 1.00 . A A . 16 GLN HE21 1 1
1 203 1 1 16 GLN HE22 H 11.824 -10.941 -5.917 1.00 . A A . 16 GLN HE22 1 1
1 204 1 1 16 GLN HG2 H 8.356 -8.826 -6.942 1.00 . A A . 16 GLN HG2 1 1
1 205 1 1 16 GLN HG3 H 9.820 -7.893 -6.661 1.00 . A A . 16 GLN HG3 1 1
1 206 1 1 16 GLN N N 7.635 -6.349 -3.133 1.00 . A A . 16 GLN N 1 1
1 207 1 1 16 GLN NE2 N 11.379 -10.077 -6.000 1.00 . A A . 16 GLN NE2 1 1
1 208 1 1 16 GLN O O 7.244 -5.483 -6.768 1.00 . A A . 16 GLN O 1 1
1 209 1 1 16 GLN OE1 O 9.461 -11.139 -6.187 1.00 . A A . 16 GLN OE1 1 1
1 210 1 1 17 GLY C C 3.027 -5.456 -5.501 1.00 . A A . 17 GLY C 1 1
1 211 1 1 17 GLY CA C 4.247 -6.071 -6.357 1.00 . A A . 17 GLY CA 1 1
1 212 1 1 17 GLY H H 5.337 -6.940 -4.621 1.00 . A A . 17 GLY H 1 1
1 213 1 1 17 GLY HA2 H 4.506 -5.379 -7.166 1.00 . A A . 17 GLY HA2 1 1
1 214 1 1 17 GLY HA3 H 3.900 -6.983 -6.816 1.00 . A A . 17 GLY HA3 1 1
1 215 1 1 17 GLY N N 5.524 -6.429 -5.458 1.00 . A A . 17 GLY N 1 1
1 216 1 1 17 GLY O O 2.582 -6.144 -4.544 1.00 . A A . 17 GLY O 1 1
1 217 1 1 18 CYS C C -0.244 -4.337 -5.206 1.00 . A A . 18 CYS C 1 1
1 218 1 1 18 CYS CA C 1.186 -3.444 -5.074 1.00 . A A . 18 CYS CA 1 1
1 219 1 1 18 CYS CB C 1.034 -1.858 -5.594 1.00 . A A . 18 CYS CB 1 1
1 220 1 1 18 CYS H H 2.846 -3.672 -6.634 1.00 . A A . 18 CYS H 1 1
1 221 1 1 18 CYS HA H 1.479 -3.432 -4.002 1.00 . A A . 18 CYS HA 1 1
1 222 1 1 18 CYS HB2 H 2.023 -1.431 -5.675 1.00 . A A . 18 CYS HB2 1 1
1 223 1 1 18 CYS HB3 H 0.606 -1.831 -6.593 1.00 . A A . 18 CYS HB3 1 1
1 224 1 1 18 CYS HG H -0.820 -1.043 -4.393 1.00 . A A . 18 CYS HG 1 1
1 225 1 1 18 CYS N N 2.443 -4.163 -5.854 1.00 . A A . 18 CYS N 1 1
1 226 1 1 18 CYS O O -0.563 -4.846 -6.303 1.00 . A A . 18 CYS O 1 1
1 227 1 1 18 CYS SG S 0.059 -0.680 -4.502 1.00 . A A . 18 CYS SG 1 1
1 228 1 1 19 VAL C C -3.711 -4.037 -3.665 1.00 . A A . 19 VAL C 1 1
1 229 1 1 19 VAL CA C -2.468 -5.163 -3.795 1.00 . A A . 19 VAL CA 1 1
1 230 1 1 19 VAL CB C -2.292 -6.188 -2.412 1.00 . A A . 19 VAL CB 1 1
1 231 1 1 19 VAL CG1 C -1.683 -5.445 -1.044 1.00 . A A . 19 VAL CG1 1 1
1 232 1 1 19 VAL CG2 C -3.628 -7.079 -2.081 1.00 . A A . 19 VAL CG2 1 1
1 233 1 1 19 VAL H H -0.705 -3.949 -3.263 1.00 . A A . 19 VAL H 1 1
1 234 1 1 19 VAL HA H -2.685 -5.782 -4.654 1.00 . A A . 19 VAL HA 1 1
1 235 1 1 19 VAL HB H -1.527 -6.916 -2.700 1.00 . A A . 19 VAL HB 1 1
1 236 1 1 19 VAL HG11 H -1.826 -6.025 -0.141 1.00 . A A . 19 VAL HG11 1 1
1 237 1 1 19 VAL HG12 H -2.138 -4.478 -0.904 1.00 . A A . 19 VAL HG12 1 1
1 238 1 1 19 VAL HG13 H -0.615 -5.278 -1.182 1.00 . A A . 19 VAL HG13 1 1
1 239 1 1 19 VAL HG21 H -3.429 -7.796 -1.289 1.00 . A A . 19 VAL HG21 1 1
1 240 1 1 19 VAL HG22 H -3.934 -7.630 -2.959 1.00 . A A . 19 VAL HG22 1 1
1 241 1 1 19 VAL HG23 H -4.444 -6.420 -1.779 1.00 . A A . 19 VAL HG23 1 1
1 242 1 1 19 VAL N N -1.037 -4.432 -4.047 1.00 . A A . 19 VAL N 1 1
1 243 1 1 19 VAL O O -4.877 -4.440 -3.865 1.00 . A A . 19 VAL O 1 1
1 244 1 1 20 CYS C C -5.244 -0.918 -4.341 1.00 . A A . 20 CYS C 1 1
1 245 1 1 20 CYS CA C -4.436 -1.449 -2.981 1.00 . A A . 20 CYS CA 1 1
1 246 1 1 20 CYS CB C -3.596 -0.210 -2.209 1.00 . A A . 20 CYS CB 1 1
1 247 1 1 20 CYS H H -2.492 -2.478 -3.081 1.00 . A A . 20 CYS H 1 1
1 248 1 1 20 CYS HA H -5.185 -1.801 -2.299 1.00 . A A . 20 CYS HA 1 1
1 249 1 1 20 CYS HB2 H -2.767 0.083 -2.844 1.00 . A A . 20 CYS HB2 1 1
1 250 1 1 20 CYS HB3 H -4.244 0.647 -2.094 1.00 . A A . 20 CYS HB3 1 1
1 251 1 1 20 CYS HG H -1.979 -0.947 -0.636 1.00 . A A . 20 CYS HG 1 1
1 252 1 1 20 CYS N N -3.421 -2.681 -3.260 1.00 . A A . 20 CYS N 1 1
1 253 1 1 20 CYS O O -4.584 -0.610 -5.364 1.00 . A A . 20 CYS O 1 1
1 254 1 1 20 CYS SG S -2.847 -0.572 -0.512 1.00 . A A . 20 CYS SG 1 1
1 255 1 1 21 LYS C C -8.063 1.363 -5.162 1.00 . A A . 21 LYS C 1 1
1 256 1 1 21 LYS CA C -7.694 -0.230 -5.439 1.00 . A A . 21 LYS CA 1 1
1 257 1 1 21 LYS CB C -8.994 -1.263 -5.554 1.00 . A A . 21 LYS CB 1 1
1 258 1 1 21 LYS CD C -9.720 -3.948 -6.116 1.00 . A A . 21 LYS CD 1 1
1 259 1 1 21 LYS CE C -10.021 -4.870 -7.470 1.00 . A A . 21 LYS CE 1 1
1 260 1 1 21 LYS CG C -8.631 -2.709 -6.290 1.00 . A A . 21 LYS CG 1 1
1 261 1 1 21 LYS H H -7.127 -1.014 -3.418 1.00 . A A . 21 LYS H 1 1
1 262 1 1 21 LYS HA H -7.153 -0.243 -6.368 1.00 . A A . 21 LYS HA 1 1
1 263 1 1 21 LYS HB2 H -9.382 -1.439 -4.552 1.00 . A A . 21 LYS HB2 1 1
1 264 1 1 21 LYS HB3 H -9.788 -0.786 -6.134 1.00 . A A . 21 LYS HB3 1 1
1 265 1 1 21 LYS HD2 H -9.305 -4.625 -5.363 1.00 . A A . 21 LYS HD2 1 1
1 266 1 1 21 LYS HD3 H -10.668 -3.585 -5.709 1.00 . A A . 21 LYS HD3 1 1
1 267 1 1 21 LYS HE2 H -9.229 -4.766 -8.211 1.00 . A A . 21 LYS HE2 1 1
1 268 1 1 21 LYS HE3 H -10.049 -5.913 -7.175 1.00 . A A . 21 LYS HE3 1 1
1 269 1 1 21 LYS HG2 H -8.465 -2.489 -7.341 1.00 . A A . 21 LYS HG2 1 1
1 270 1 1 21 LYS HG3 H -7.671 -3.062 -5.892 1.00 . A A . 21 LYS HG3 1 1
1 271 1 1 21 LYS HZ1 H -11.514 -5.148 -8.985 1.00 . A A . 21 LYS HZ1 1 1
1 272 1 1 21 LYS HZ2 H -11.402 -3.532 -8.504 1.00 . A A . 21 LYS HZ2 1 1
1 273 1 1 21 LYS HZ3 H -12.187 -4.685 -7.503 1.00 . A A . 21 LYS HZ3 1 1
1 274 1 1 21 LYS N N -6.683 -0.785 -4.279 1.00 . A A . 21 LYS N 1 1
1 275 1 1 21 LYS NZ N -11.383 -4.522 -8.158 1.00 . A A . 21 LYS NZ 1 1
1 276 1 1 21 LYS O O -8.134 2.129 -6.152 1.00 . A A . 21 LYS O 1 1
1 277 1 1 22 GLY C C -6.866 4.221 -3.656 1.00 . A A . 22 GLY C 1 1
1 278 1 1 22 GLY CA C -8.286 3.417 -3.321 1.00 . A A . 22 GLY CA 1 1
1 279 1 1 22 GLY H H -7.997 1.236 -3.082 1.00 . A A . 22 GLY H 1 1
1 280 1 1 22 GLY HA2 H -9.139 3.889 -3.813 1.00 . A A . 22 GLY HA2 1 1
1 281 1 1 22 GLY HA3 H -8.454 3.441 -2.244 1.00 . A A . 22 GLY HA3 1 1
1 282 1 1 22 GLY N N -8.139 1.879 -3.800 1.00 . A A . 22 GLY N 1 1
1 283 1 1 22 GLY O O -6.908 5.227 -4.380 1.00 . A A . 22 GLY O 1 1
1 284 1 1 23 ALA C C -3.438 5.395 -2.841 1.00 . A A . 23 ALA C 1 1
1 285 1 1 23 ALA CA C -4.053 4.056 -3.552 1.00 . A A . 23 ALA CA 1 1
1 286 1 1 23 ALA CB C -3.797 4.056 -5.173 1.00 . A A . 23 ALA CB 1 1
1 287 1 1 23 ALA H H -5.649 2.751 -2.714 1.00 . A A . 23 ALA H 1 1
1 288 1 1 23 ALA HA H -3.450 3.214 -3.187 1.00 . A A . 23 ALA HA 1 1
1 289 1 1 23 ALA HB1 H -2.747 4.271 -5.422 1.00 . A A . 23 ALA HB1 1 1
1 290 1 1 23 ALA HB2 H -4.427 4.791 -5.655 1.00 . A A . 23 ALA HB2 1 1
1 291 1 1 23 ALA HB3 H -4.053 3.079 -5.583 1.00 . A A . 23 ALA HB3 1 1
1 292 1 1 23 ALA N N -5.587 3.618 -3.226 1.00 . A A . 23 ALA N 1 1
1 293 1 1 23 ALA O O -2.268 5.278 -2.391 1.00 . A A . 23 ALA O 1 1
1 294 1 1 24 ALA C C -4.126 8.682 -0.814 1.00 . A A . 24 ALA C 1 1
1 295 1 1 24 ALA CA C -3.496 8.060 -2.221 1.00 . A A . 24 ALA CA 1 1
1 296 1 1 24 ALA CB C -3.481 9.098 -3.483 1.00 . A A . 24 ALA CB 1 1
1 297 1 1 24 ALA H H -5.034 6.716 -3.209 1.00 . A A . 24 ALA H 1 1
1 298 1 1 24 ALA HA H -2.461 7.890 -1.997 1.00 . A A . 24 ALA HA 1 1
1 299 1 1 24 ALA HB1 H -2.949 10.009 -3.216 1.00 . A A . 24 ALA HB1 1 1
1 300 1 1 24 ALA HB2 H -4.486 9.357 -3.784 1.00 . A A . 24 ALA HB2 1 1
1 301 1 1 24 ALA HB3 H -2.963 8.648 -4.329 1.00 . A A . 24 ALA HB3 1 1
1 302 1 1 24 ALA N N -4.132 6.659 -2.806 1.00 . A A . 24 ALA N 1 1
1 303 1 1 24 ALA O O -3.668 9.806 -0.425 1.00 . A A . 24 ALA O 1 1
1 304 1 1 25 ASP C C -5.870 7.357 2.543 1.00 . A A . 25 ASP C 1 1
1 305 1 1 25 ASP CA C -5.783 8.559 1.392 1.00 . A A . 25 ASP CA 1 1
1 306 1 1 25 ASP CB C -7.254 9.240 0.968 1.00 . A A . 25 ASP CB 1 1
1 307 1 1 25 ASP CG C -7.894 10.246 2.055 1.00 . A A . 25 ASP CG 1 1
1 308 1 1 25 ASP H H -5.463 7.120 -0.320 1.00 . A A . 25 ASP H 1 1
1 309 1 1 25 ASP HA H -5.141 9.333 1.803 1.00 . A A . 25 ASP HA 1 1
1 310 1 1 25 ASP HB2 H -7.128 9.782 0.038 1.00 . A A . 25 ASP HB2 1 1
1 311 1 1 25 ASP HB3 H -7.962 8.432 0.754 1.00 . A A . 25 ASP HB3 1 1
1 312 1 1 25 ASP N N -5.133 7.998 -0.008 1.00 . A A . 25 ASP N 1 1
1 313 1 1 25 ASP O O -5.231 7.496 3.611 1.00 . A A . 25 ASP O 1 1
1 314 1 1 25 ASP OD1 O -8.599 9.778 2.943 1.00 . A A . 25 ASP OD1 1 1
1 315 1 1 25 ASP OD2 O -7.637 11.448 1.981 1.00 . A A . 25 ASP OD2 1 1
1 316 1 1 26 LYS C C -7.388 3.517 2.569 1.00 . A A . 26 LYS C 1 1
1 317 1 1 26 LYS CA C -7.042 4.964 3.329 1.00 . A A . 26 LYS CA 1 1
1 318 1 1 26 LYS CB C -8.291 5.453 4.349 1.00 . A A . 26 LYS CB 1 1
1 319 1 1 26 LYS CD C -10.879 6.473 4.669 1.00 . A A . 26 LYS CD 1 1
1 320 1 1 26 LYS CE C -12.417 6.505 4.094 1.00 . A A . 26 LYS CE 1 1
1 321 1 1 26 LYS CG C -9.756 5.831 3.655 1.00 . A A . 26 LYS CG 1 1
1 322 1 1 26 LYS H H -7.240 6.228 1.466 1.00 . A A . 26 LYS H 1 1
1 323 1 1 26 LYS HA H -6.160 4.803 3.960 1.00 . A A . 26 LYS HA 1 1
1 324 1 1 26 LYS HB2 H -8.460 4.675 5.096 1.00 . A A . 26 LYS HB2 1 1
1 325 1 1 26 LYS HB3 H -7.926 6.327 4.893 1.00 . A A . 26 LYS HB3 1 1
1 326 1 1 26 LYS HD2 H -10.900 5.918 5.606 1.00 . A A . 26 LYS HD2 1 1
1 327 1 1 26 LYS HD3 H -10.575 7.494 4.893 1.00 . A A . 26 LYS HD3 1 1
1 328 1 1 26 LYS HE2 H -12.450 6.983 3.118 1.00 . A A . 26 LYS HE2 1 1
1 329 1 1 26 LYS HE3 H -12.775 5.482 3.996 1.00 . A A . 26 LYS HE3 1 1
1 330 1 1 26 LYS HG2 H -9.577 6.555 2.855 1.00 . A A . 26 LYS HG2 1 1
1 331 1 1 26 LYS HG3 H -10.134 4.917 3.196 1.00 . A A . 26 LYS HG3 1 1
1 332 1 1 26 LYS HZ1 H -13.123 8.288 5.145 1.00 . A A . 26 LYS HZ1 1 1
1 333 1 1 26 LYS HZ2 H -13.445 6.835 5.997 1.00 . A A . 26 LYS HZ2 1 1
1 334 1 1 26 LYS HZ3 H -14.358 7.246 4.634 1.00 . A A . 26 LYS HZ3 1 1
1 335 1 1 26 LYS N N -6.734 6.218 2.312 1.00 . A A . 26 LYS N 1 1
1 336 1 1 26 LYS NZ N -13.396 7.277 5.047 1.00 . A A . 26 LYS NZ 1 1
1 337 1 1 26 LYS O O -8.132 3.574 1.554 1.00 . A A . 26 LYS O 1 1
1 338 1 1 27 CYS C C -8.017 -0.263 3.587 1.00 . A A . 27 CYS C 1 1
1 339 1 1 27 CYS CA C -7.243 0.771 2.528 1.00 . A A . 27 CYS CA 1 1
1 340 1 1 27 CYS CB C -5.908 0.090 1.838 1.00 . A A . 27 CYS CB 1 1
1 341 1 1 27 CYS H H -6.352 2.266 3.918 1.00 . A A . 27 CYS H 1 1
1 342 1 1 27 CYS HA H -7.932 0.911 1.703 1.00 . A A . 27 CYS HA 1 1
1 343 1 1 27 CYS HB2 H -6.230 -0.807 1.322 1.00 . A A . 27 CYS HB2 1 1
1 344 1 1 27 CYS HB3 H -5.559 0.756 1.082 1.00 . A A . 27 CYS HB3 1 1
1 345 1 1 27 CYS HG H -4.112 0.287 3.362 1.00 . A A . 27 CYS HG 1 1
1 346 1 1 27 CYS N N -6.909 2.250 3.109 1.00 . A A . 27 CYS N 1 1
1 347 1 1 27 CYS O O -7.803 -0.152 4.818 1.00 . A A . 27 CYS O 1 1
1 348 1 1 27 CYS SG S -4.440 -0.464 2.860 1.00 . A A . 27 CYS SG 1 1
1 349 1 1 28 THR C C -8.721 -4.029 3.363 1.00 . A A . 28 THR C 1 1
1 350 1 1 28 THR CA C -9.470 -2.581 3.814 1.00 . A A . 28 THR CA 1 1
1 351 1 1 28 THR CB C -11.145 -2.479 3.550 1.00 . A A . 28 THR CB 1 1
1 352 1 1 28 THR CG2 C -11.890 -1.252 4.305 1.00 . A A . 28 THR CG2 1 1
1 353 1 1 28 THR H H -8.798 -1.407 2.017 1.00 . A A . 28 THR H 1 1
1 354 1 1 28 THR HA H -9.269 -2.509 4.899 1.00 . A A . 28 THR HA 1 1
1 355 1 1 28 THR HB H -11.575 -3.382 3.986 1.00 . A A . 28 THR HB 1 1
1 356 1 1 28 THR HG1 H -11.215 -1.772 1.573 1.00 . A A . 28 THR HG1 1 1
1 357 1 1 28 THR HG21 H -11.512 -0.302 3.943 1.00 . A A . 28 THR HG21 1 1
1 358 1 1 28 THR HG22 H -11.728 -1.317 5.374 1.00 . A A . 28 THR HG22 1 1
1 359 1 1 28 THR HG23 H -12.955 -1.303 4.118 1.00 . A A . 28 THR HG23 1 1
1 360 1 1 28 THR N N -8.774 -1.346 3.020 1.00 . A A . 28 THR N 1 1
1 361 1 1 28 THR O O -9.383 -5.102 3.396 1.00 . A A . 28 THR O 1 1
1 362 1 1 28 THR OG1 O -11.529 -2.541 2.109 1.00 . A A . 28 THR OG1 1 1
1 363 1 1 29 CYS C C -5.004 -5.572 3.394 1.00 . A A . 29 CYS C 1 1
1 364 1 1 29 CYS CA C -6.385 -5.309 2.505 1.00 . A A . 29 CYS CA 1 1
1 365 1 1 29 CYS CB C -6.092 -5.186 0.871 1.00 . A A . 29 CYS CB 1 1
1 366 1 1 29 CYS H H -6.807 -3.156 2.968 1.00 . A A . 29 CYS H 1 1
1 367 1 1 29 CYS HA H -6.977 -6.206 2.635 1.00 . A A . 29 CYS HA 1 1
1 368 1 1 29 CYS HB2 H -5.562 -6.070 0.539 1.00 . A A . 29 CYS HB2 1 1
1 369 1 1 29 CYS HB3 H -7.048 -5.200 0.365 1.00 . A A . 29 CYS HB3 1 1
1 370 1 1 29 CYS HG H -4.194 -3.883 0.353 1.00 . A A . 29 CYS HG 1 1
1 371 1 1 29 CYS N N -7.302 -4.034 2.968 1.00 . A A . 29 CYS N 1 1
1 372 1 1 29 CYS O O -4.550 -6.752 3.410 1.00 . A A . 29 CYS O 1 1
1 373 1 1 29 CYS SG S -5.126 -3.727 0.189 1.00 . A A . 29 CYS SG 1 1
1 374 1 1 30 CYS C C -3.257 -4.439 6.545 1.00 . A A . 30 CYS C 1 1
1 375 1 1 30 CYS CA C -2.967 -4.573 4.899 1.00 . A A . 30 CYS CA 1 1
1 376 1 1 30 CYS CB C -1.920 -3.426 4.246 1.00 . A A . 30 CYS CB 1 1
1 377 1 1 30 CYS H H -4.729 -3.604 4.017 1.00 . A A . 30 CYS H 1 1
1 378 1 1 30 CYS HA H -2.530 -5.547 4.776 1.00 . A A . 30 CYS HA 1 1
1 379 1 1 30 CYS HB2 H -2.327 -2.449 4.445 1.00 . A A . 30 CYS HB2 1 1
1 380 1 1 30 CYS HB3 H -0.981 -3.498 4.766 1.00 . A A . 30 CYS HB3 1 1
1 381 1 1 30 CYS HG H -0.748 -3.070 2.216 1.00 . A A . 30 CYS HG 1 1
1 382 1 1 30 CYS N N -4.340 -4.489 4.062 1.00 . A A . 30 CYS N 1 1
1 383 1 1 30 CYS O O -2.346 -4.001 7.292 1.00 . A A . 30 CYS O 1 1
1 384 1 1 30 CYS SG S -1.564 -3.500 2.391 1.00 . A A . 30 CYS SG 1 1
1 385 1 1 31 ALA C C -4.774 -6.330 9.387 1.00 . A A . 31 ALA C 1 1
1 386 1 1 31 ALA CA C -4.965 -4.881 8.665 1.00 . A A . 31 ALA CA 1 1
1 387 1 1 31 ALA CB C -6.491 -4.331 8.761 1.00 . A A . 31 ALA CB 1 1
1 388 1 1 31 ALA H H -5.175 -5.292 6.476 1.00 . A A . 31 ALA H 1 1
1 389 1 1 31 ALA HA H -4.344 -4.158 9.178 1.00 . A A . 31 ALA HA 1 1
1 390 1 1 31 ALA HB1 H -6.546 -3.336 8.337 1.00 . A A . 31 ALA HB1 1 1
1 391 1 1 31 ALA HB2 H -6.811 -4.259 9.800 1.00 . A A . 31 ALA HB2 1 1
1 392 1 1 31 ALA HB3 H -7.182 -4.979 8.217 1.00 . A A . 31 ALA HB3 1 1
1 393 1 1 31 ALA N N -4.523 -4.894 7.104 1.00 . A A . 31 ALA N 1 1
1 394 1 1 31 ALA O O -4.913 -7.369 8.731 1.00 . A A . 31 ALA O 1 1
1 395 1 1 31 ALA OXT O -4.532 -6.361 10.598 1.00 . A A . 31 ALA OXT 1 1
1 396 2 2 1 CD CD CD -3.456 -2.197 1.315 1.00 . B A . 32 CD CD 1 1
1 397 3 2 1 CD CD CD 1.114 -0.245 -2.259 1.00 . C A . 33 CD CD 1 1
1 398 4 2 1 CD CD CD 0.490 -2.166 1.696 1.00 . D A . 34 CD CD 1 1
1 399 5 2 1 CD CD CD -1.406 1.167 0.534 1.00 . E A . 35 CD CD 1 1
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