NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
382397 |
1ji9   |
5066 | cing | 4-filtered-FRED | STAR | entry | full | 327 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1ji9
# This FRED archive file contains, for PDB entry <1ji9>:
#
# - 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_1ji9
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1ji9
_Assembly.Number_of_components 5
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 4244.07
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_III 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_III
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "METALLOTHIONEIN III"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code KSCCSCCPAGCEKCAKDCVCKGEEGAKAEAEKCSCCQ
_Entity.Number_of_monomers 37
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 ALA . 1 1
10 GLY . 1 1
11 CYS . 1 1
12 GLU . 1 1
13 LYS . 1 1
14 CYS . 1 1
15 ALA . 1 1
16 LYS . 1 1
17 ASP . 1 1
18 CYS . 1 1
19 VAL . 1 1
20 CYS . 1 1
21 LYS . 1 1
22 GLY . 1 1
23 GLU . 1 1
24 GLU . 1 1
25 GLY . 1 1
26 ALA . 1 1
27 LYS . 1 1
28 ALA . 1 1
29 GLU . 1 1
30 ALA . 1 1
31 GLU . 1 1
32 LYS . 1 1
33 CYS . 1 1
34 SER . 1 1
35 CYS . 1 1
36 CYS . 1 1
37 GLN . 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
ALA 9 9 1 1
GLY 10 10 1 1
CYS 11 11 1 1
GLU 12 12 1 1
LYS 13 13 1 1
CYS 14 14 1 1
ALA 15 15 1 1
LYS 16 16 1 1
ASP 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
GLU 23 23 1 1
GLU 24 24 1 1
GLY 25 25 1 1
ALA 26 26 1 1
LYS 27 27 1 1
ALA 28 28 1 1
GLU 29 29 1 1
ALA 30 30 1 1
GLU 31 31 1 1
LYS 32 32 1 1
CYS 33 33 1 1
SER 34 34 1 1
CYS 35 35 1 1
CYS 36 36 1 1
GLN 37 37 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_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
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
239 1 . . . 1 1
240 1 . . . 1 1
241 1 . . . 1 1
242 1 . . . 1 1
243 1 . . . 1 1
244 1 . . . 1 1
245 1 . . . 1 1
246 1 . . . 1 1
247 1 . . . 1 1
248 1 . . . 1 1
249 1 . . . 1 1
250 1 . . . 1 1
251 1 . . . 1 1
252 1 . . . 1 1
253 1 . . . 1 1
254 1 . . . 1 1
255 1 . . . 1 1
256 1 . . . 1 1
257 1 . . . 1 1
258 1 . . . 1 1
259 1 . . . 1 1
260 1 . . . 1 1
261 1 . . . 1 1
262 1 . . . 1 1
263 1 . . . 1 1
264 1 . . . 1 1
265 1 . . . 1 1
266 1 . . . 1 1
267 1 . . . 1 1
268 1 . . . 1 1
269 1 . . . 1 1
270 1 . . . 1 1
271 1 . . . 1 1
272 1 . . . 1 1
273 1 . . . 1 1
274 1 . . . 1 1
275 1 . . . 1 1
276 1 . . . 1 1
277 1 . . . 1 1
278 1 . . . 1 1
279 1 . . . 1 1
280 1 . . . 1 1
281 1 . . . 1 1
282 1 . . . 1 1
283 1 . . . 1 1
284 1 . . . 1 1
285 1 . . . 1 1
286 1 . . . 1 1
287 1 . . . 1 1
288 1 . . . 1 1
289 1 . . . 1 1
290 1 . . . 1 1
291 1 . . . 1 1
292 1 . . . 1 1
293 1 . . . 1 1
294 1 . . . 1 1
295 1 . . . 1 1
296 1 . . . 1 1
297 1 . . . 1 1
298 1 . . . 1 1
299 1 . . . 1 1
300 1 . . . 1 1
301 1 . . . 1 1
302 1 . . . 1 1
303 1 . . . 1 1
304 1 . . . 1 1
305 1 . . . 1 1
306 1 . . . 1 1
307 1 . . . 1 1
308 1 . . . 1 1
309 1 . . . 1 1
310 1 . . . 1 1
311 1 . . . 1 1
312 1 . . . 1 1
313 1 . . . 1 1
314 1 . . . 1 1
315 1 . . . 1 1
316 1 . . . 1 1
317 1 . . . 1 1
318 1 . . . 1 1
319 1 . . . 1 1
320 1 . . . 1 1
321 1 . . . 1 1
322 1 . . . 1 1
323 1 . . . 1 1
324 1 . . . 1 1
325 1 . . . 1 1
326 1 . . . 1 1
327 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 QD . 1 . HD# 1 1
2 1 1 1 1 1 LYS HA . 1 . HA 1 1
2 1 2 1 1 1 LYS QG . 1 . HG# 1 1
3 1 1 1 1 1 LYS HA . 1 . HA 1 1
3 1 2 1 1 2 SER H . 2 . HN 1 1
4 1 1 1 1 1 LYS HA . 1 . HA 1 1
4 1 2 1 1 9 ALA MB . 9 . HB# 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 2 SER H . 2 . HN 1 1
6 1 2 1 1 2 SER QB . 2 . HB# 1 1
7 1 1 1 1 2 SER HA . 2 . HA 1 1
7 1 2 1 1 3 CYS H . 3 . HN 1 1
8 1 1 1 1 2 SER HA . 2 . HA 1 1
8 1 2 1 1 9 ALA HA . 9 . HA 1 1
9 1 1 1 1 2 SER HA . 2 . HA 1 1
9 1 2 1 1 9 ALA MB . 9 . HB# 1 1
10 1 1 1 1 2 SER QB . 2 . HB# 1 1
10 1 2 1 1 3 CYS H . 3 . HN 1 1
11 1 1 1 1 2 SER QB . 2 . HB# 1 1
11 1 2 1 1 4 CYS H . 4 . HN 1 1
12 1 1 1 1 2 SER QB . 2 . HB# 1 1
12 1 2 1 1 9 ALA H . 9 . HN 1 1
13 1 1 1 1 2 SER QB . 2 . HB# 1 1
13 1 2 1 1 9 ALA HA . 9 . HA 1 1
14 1 1 1 1 2 SER QB . 2 . HB# 1 1
14 1 2 1 1 9 ALA MB . 9 . HB# 1 1
15 1 1 1 1 3 CYS H . 3 . HN 1 1
15 1 2 1 1 3 CYS QB . 3 . HB# 1 1
16 1 1 1 1 3 CYS H . 3 . HN 1 1
16 1 2 1 1 9 ALA HA . 9 . HA 1 1
17 1 1 1 1 3 CYS H . 3 . HN 1 1
17 1 2 1 1 9 ALA MB . 9 . HB# 1 1
18 1 1 1 1 4 CYS HA . 4 . HA 1 1
18 1 2 1 1 5 SER H . 5 . HN 1 1
19 1 1 1 1 4 CYS HA . 4 . HA 1 1
19 1 2 1 1 6 CYS H . 6 . HN 1 1
20 1 1 1 1 4 CYS QB . 4 . HB# 1 1
20 1 2 1 1 5 SER H . 5 . HN 1 1
21 1 1 1 1 4 CYS QB . 4 . HB# 1 1
21 1 2 1 1 6 CYS H . 6 . HN 1 1
22 1 1 1 1 4 CYS QB . 4 . HB# 1 1
22 1 2 1 1 7 CYS H . 7 . HN 1 1
23 1 1 1 1 4 CYS QB . 4 . HB# 1 1
23 1 2 1 1 28 ALA MB . 28 . HB# 1 1
24 1 1 1 1 5 SER H . 5 . HN 1 1
24 1 2 1 1 6 CYS H . 6 . HN 1 1
25 1 1 1 1 5 SER HA . 5 . HA 1 1
25 1 2 1 1 5 SER QB . 5 . HB# 1 1
26 1 1 1 1 5 SER HA . 5 . HA 1 1
26 1 2 1 1 6 CYS H . 6 . HN 1 1
27 1 1 1 1 5 SER HA . 5 . HA 1 1
27 1 2 1 1 7 CYS H . 7 . HN 1 1
28 1 1 1 1 5 SER QB . 5 . HB# 1 1
28 1 2 1 1 6 CYS H . 6 . HN 1 1
29 1 1 1 1 6 CYS H . 6 . HN 1 1
29 1 2 1 1 6 CYS QB . 6 . HB# 1 1
30 1 1 1 1 6 CYS H . 6 . HN 1 1
30 1 2 1 1 7 CYS H . 7 . HN 1 1
31 1 1 1 1 6 CYS HA . 6 . HA 1 1
31 1 2 1 1 7 CYS H . 7 . HN 1 1
32 1 1 1 1 6 CYS HA . 6 . HA 1 1
32 1 2 1 1 30 ALA MB . 30 . HB# 1 1
33 1 1 1 1 6 CYS HA . 6 . HA 1 1
33 1 2 1 1 31 GLU HA . 31 . HA 1 1
34 1 1 1 1 6 CYS HA . 6 . HA 1 1
34 1 2 1 1 32 LYS H . 32 . HN 1 1
35 1 1 1 1 6 CYS HA . 6 . HA 1 1
35 1 2 1 1 32 LYS HA . 32 . HA 1 1
36 1 1 1 1 6 CYS HA . 6 . HA 1 1
36 1 2 1 1 33 CYS H . 33 . HN 1 1
37 1 1 1 1 6 CYS QB . 6 . HB# 1 1
37 1 2 1 1 7 CYS H . 7 . HN 1 1
38 1 1 1 1 6 CYS QB . 6 . HB# 1 1
38 1 2 1 1 30 ALA MB . 30 . HB# 1 1
39 1 1 1 1 6 CYS QB . 6 . HB# 1 1
39 1 2 1 1 31 GLU HA . 31 . HA 1 1
40 1 1 1 1 6 CYS QB . 6 . HB# 1 1
40 1 2 1 1 32 LYS H . 32 . HN 1 1
41 1 1 1 1 6 CYS QB . 6 . HB# 1 1
41 1 2 1 1 32 LYS HA . 32 . HA 1 1
42 1 1 1 1 6 CYS QB . 6 . HB# 1 1
42 1 2 1 1 33 CYS H . 33 . HN 1 1
43 1 1 1 1 6 CYS QB . 6 . HB# 1 1
43 1 2 1 1 33 CYS HA . 33 . HA 1 1
44 1 1 1 1 6 CYS QB . 6 . HB# 1 1
44 1 2 1 1 33 CYS QB . 33 . HB# 1 1
45 1 1 1 1 7 CYS H . 7 . HN 1 1
45 1 2 1 1 7 CYS HA . 7 . HA 1 1
46 1 1 1 1 7 CYS H . 7 . HN 1 1
46 1 2 1 1 7 CYS QB . 7 . HB# 1 1
47 1 1 1 1 7 CYS H . 7 . HN 1 1
47 1 2 1 1 8 PRO QD . 8 . HD# 1 1
48 1 1 1 1 7 CYS HA . 7 . HA 1 1
48 1 2 1 1 8 PRO QD . 8 . HD# 1 1
49 1 1 1 1 7 CYS HA . 7 . HA 1 1
49 1 2 1 1 8 PRO QG . 8 . HG# 1 1
50 1 1 1 1 7 CYS HA . 7 . HA 1 1
50 1 2 1 1 11 CYS H . 11 . HN 1 1
51 1 1 1 1 7 CYS HA . 7 . HA 1 1
51 1 2 1 1 11 CYS QB . 11 . HB# 1 1
52 1 1 1 1 7 CYS QB . 7 . HB# 1 1
52 1 2 1 1 8 PRO QD . 8 . HD# 1 1
53 1 1 1 1 7 CYS QB . 7 . HB# 1 1
53 1 2 1 1 11 CYS H . 11 . HN 1 1
54 1 1 1 1 8 PRO HA . 8 . HA 1 1
54 1 2 1 1 8 PRO QD . 8 . HD# 1 1
55 1 1 1 1 8 PRO HA . 8 . HA 1 1
55 1 2 1 1 9 ALA H . 9 . HN 1 1
56 1 1 1 1 8 PRO QB . 8 . HB# 1 1
56 1 2 1 1 9 ALA H . 9 . HN 1 1
57 1 1 1 1 8 PRO QD . 8 . HD# 1 1
57 1 2 1 1 8 PRO QG . 8 . HG# 1 1
58 1 1 1 1 8 PRO QD . 8 . HD# 1 1
58 1 2 1 1 11 CYS QB . 11 . HB# 1 1
59 1 1 1 1 8 PRO QG . 8 . HG# 1 1
59 1 2 1 1 11 CYS H . 11 . HN 1 1
60 1 1 1 1 8 PRO QG . 8 . HG# 1 1
60 1 2 1 1 11 CYS QB . 11 . HB# 1 1
61 1 1 1 1 9 ALA H . 9 . HN 1 1
61 1 2 1 1 9 ALA MB . 9 . HB# 1 1
62 1 1 1 1 9 ALA HA . 9 . HA 1 1
62 1 2 1 1 11 CYS H . 11 . HN 1 1
63 1 1 1 1 9 ALA MB . 9 . HB# 1 1
63 1 2 1 1 10 GLY H . 10 . HN 1 1
64 1 1 1 1 9 ALA MB . 9 . HB# 1 1
64 1 2 1 1 11 CYS H . 11 . HN 1 1
65 1 1 1 1 10 GLY H . 10 . HN 1 1
65 1 2 1 1 11 CYS H . 11 . HN 1 1
66 1 1 1 1 10 GLY H . 10 . HN 1 1
66 1 2 1 1 11 CYS QB . 11 . HB# 1 1
67 1 1 1 1 10 GLY QA . 10 . HA# 1 1
67 1 2 1 1 11 CYS H . 11 . HN 1 1
68 1 1 1 1 11 CYS H . 11 . HN 1 1
68 1 2 1 1 11 CYS HA . 11 . HA 1 1
69 1 1 1 1 11 CYS H . 11 . HN 1 1
69 1 2 1 1 11 CYS QB . 11 . HB# 1 1
70 1 1 1 1 11 CYS H . 11 . HN 1 1
70 1 2 1 1 12 GLU H . 12 . HN 1 1
71 1 1 1 1 11 CYS H . 11 . HN 1 1
71 1 2 1 1 13 LYS H . 13 . HN 1 1
72 1 1 1 1 11 CYS H . 11 . HN 1 1
72 1 2 1 1 14 CYS H . 14 . HN 1 1
73 1 1 1 1 11 CYS H . 11 . HN 1 1
73 1 2 1 1 14 CYS QB . 14 . HB# 1 1
74 1 1 1 1 11 CYS HA . 11 . HA 1 1
74 1 2 1 1 12 GLU H . 12 . HN 1 1
75 1 1 1 1 11 CYS QB . 11 . HB# 1 1
75 1 2 1 1 12 GLU H . 12 . HN 1 1
76 1 1 1 1 11 CYS QB . 11 . HB# 1 1
76 1 2 1 1 13 LYS H . 13 . HN 1 1
77 1 1 1 1 11 CYS QB . 11 . HB# 1 1
77 1 2 1 1 14 CYS H . 14 . HN 1 1
78 1 1 1 1 11 CYS QB . 11 . HB# 1 1
78 1 2 1 1 14 CYS QB . 14 . HB# 1 1
79 1 1 1 1 11 CYS QB . 11 . HB# 1 1
79 1 2 1 1 15 ALA H . 15 . HN 1 1
80 1 1 1 1 12 GLU H . 12 . HN 1 1
80 1 2 1 1 12 GLU QB . 12 . HB# 1 1
81 1 1 1 1 12 GLU H . 12 . HN 1 1
81 1 2 1 1 12 GLU QG . 12 . HG# 1 1
82 1 1 1 1 12 GLU H . 12 . HN 1 1
82 1 2 1 1 13 LYS H . 13 . HN 1 1
83 1 1 1 1 12 GLU H . 12 . HN 1 1
83 1 2 1 1 13 LYS HA . 13 . HA 1 1
84 1 1 1 1 12 GLU H . 12 . HN 1 1
84 1 2 1 1 13 LYS QB . 13 . HB# 1 1
85 1 1 1 1 12 GLU H . 12 . HN 1 1
85 1 2 1 1 13 LYS QG . 13 . HG# 1 1
86 1 1 1 1 12 GLU H . 12 . HN 1 1
86 1 2 1 1 14 CYS H . 14 . HN 1 1
87 1 1 1 1 12 GLU H . 12 . HN 1 1
87 1 2 1 1 15 ALA MB . 15 . HB# 1 1
88 1 1 1 1 12 GLU HA . 12 . HA 1 1
88 1 2 1 1 12 GLU QB . 12 . HB# 1 1
89 1 1 1 1 12 GLU HA . 12 . HA 1 1
89 1 2 1 1 12 GLU QG . 12 . HG# 1 1
90 1 1 1 1 12 GLU HA . 12 . HA 1 1
90 1 2 1 1 13 LYS H . 13 . HN 1 1
91 1 1 1 1 12 GLU HA . 12 . HA 1 1
91 1 2 1 1 14 CYS H . 14 . HN 1 1
92 1 1 1 1 12 GLU HA . 12 . HA 1 1
92 1 2 1 1 14 CYS QB . 14 . HB# 1 1
93 1 1 1 1 12 GLU QB . 12 . HB# 1 1
93 1 2 1 1 13 LYS H . 13 . HN 1 1
94 1 1 1 1 12 GLU QB . 12 . HB# 1 1
94 1 2 1 1 14 CYS H . 14 . HN 1 1
95 1 1 1 1 12 GLU QG . 12 . HG# 1 1
95 1 2 1 1 13 LYS H . 13 . HN 1 1
96 1 1 1 1 13 LYS H . 13 . HN 1 1
96 1 2 1 1 13 LYS QB . 13 . HB# 1 1
97 1 1 1 1 13 LYS H . 13 . HN 1 1
97 1 2 1 1 13 LYS QD . 13 . HD# 1 1
98 1 1 1 1 13 LYS H . 13 . HN 1 1
98 1 2 1 1 13 LYS QE . 13 . HE# 1 1
99 1 1 1 1 13 LYS H . 13 . HN 1 1
99 1 2 1 1 13 LYS QG . 13 . HG# 1 1
100 1 1 1 1 13 LYS H . 13 . HN 1 1
100 1 2 1 1 14 CYS H . 14 . HN 1 1
101 1 1 1 1 13 LYS H . 13 . HN 1 1
101 1 2 1 1 14 CYS HA . 14 . HA 1 1
102 1 1 1 1 13 LYS H . 13 . HN 1 1
102 1 2 1 1 14 CYS QB . 14 . HB# 1 1
103 1 1 1 1 13 LYS H . 13 . HN 1 1
103 1 2 1 1 15 ALA H . 15 . HN 1 1
104 1 1 1 1 13 LYS H . 13 . HN 1 1
104 1 2 1 1 19 VAL QG . 19 . HG# 1 1
105 1 1 1 1 13 LYS HA . 13 . HA 1 1
105 1 2 1 1 13 LYS QB . 13 . HB# 1 1
106 1 1 1 1 13 LYS HA . 13 . HA 1 1
106 1 2 1 1 13 LYS QD . 13 . HD# 1 1
107 1 1 1 1 13 LYS HA . 13 . HA 1 1
107 1 2 1 1 13 LYS QG . 13 . HG# 1 1
108 1 1 1 1 13 LYS HA . 13 . HA 1 1
108 1 2 1 1 14 CYS H . 14 . HN 1 1
109 1 1 1 1 13 LYS HA . 13 . HA 1 1
109 1 2 1 1 15 ALA H . 15 . HN 1 1
110 1 1 1 1 13 LYS HA . 13 . HA 1 1
110 1 2 1 1 19 VAL QG . 19 . HG# 1 1
111 1 1 1 1 13 LYS QB . 13 . HB# 1 1
111 1 2 1 1 14 CYS H . 14 . HN 1 1
112 1 1 1 1 13 LYS QB . 13 . HB# 1 1
112 1 2 1 1 15 ALA H . 15 . HN 1 1
113 1 1 1 1 13 LYS QB . 13 . HB# 1 1
113 1 2 1 1 19 VAL QG . 19 . HG# 1 1
114 1 1 1 1 13 LYS QB . 13 . HB# 1 1
114 1 2 1 1 36 CYS HA . 36 . HA 1 1
115 1 1 1 1 13 LYS QB . 13 . HB# 1 1
115 1 2 1 1 36 CYS QB . 36 . HB# 1 1
116 1 1 1 1 13 LYS QD . 13 . HD# 1 1
116 1 2 1 1 14 CYS H . 14 . HN 1 1
117 1 1 1 1 13 LYS QD . 13 . HD# 1 1
117 1 2 1 1 19 VAL QG . 19 . HG# 1 1
118 1 1 1 1 13 LYS QD . 13 . HD# 1 1
118 1 2 1 1 36 CYS HA . 36 . HA 1 1
119 1 1 1 1 13 LYS QD . 13 . HD# 1 1
119 1 2 1 1 36 CYS QB . 36 . HB# 1 1
120 1 1 1 1 13 LYS QE . 13 . HE# 1 1
120 1 2 1 1 19 VAL QG . 19 . HG# 1 1
121 1 1 1 1 13 LYS QG . 13 . HG# 1 1
121 1 2 1 1 14 CYS H . 14 . HN 1 1
122 1 1 1 1 13 LYS QG . 13 . HG# 1 1
122 1 2 1 1 19 VAL QG . 19 . HG# 1 1
123 1 1 1 1 13 LYS QG . 13 . HG# 1 1
123 1 2 1 1 36 CYS HA . 36 . HA 1 1
124 1 1 1 1 13 LYS QG . 13 . HG# 1 1
124 1 2 1 1 36 CYS QB . 36 . HB# 1 1
125 1 1 1 1 13 LYS QG . 13 . HG# 1 1
125 1 2 1 1 37 GLN H . 37 . HN 1 1
126 1 1 1 1 14 CYS H . 14 . HN 1 1
126 1 2 1 1 14 CYS QB . 14 . HB# 1 1
127 1 1 1 1 14 CYS H . 14 . HN 1 1
127 1 2 1 1 15 ALA H . 15 . HN 1 1
128 1 1 1 1 14 CYS H . 14 . HN 1 1
128 1 2 1 1 15 ALA MB . 15 . HB# 1 1
129 1 1 1 1 14 CYS H . 14 . HN 1 1
129 1 2 1 1 19 VAL QG . 19 . HG# 1 1
130 1 1 1 1 14 CYS HA . 14 . HA 1 1
130 1 2 1 1 15 ALA H . 15 . HN 1 1
131 1 1 1 1 14 CYS HA . 14 . HA 1 1
131 1 2 1 1 15 ALA HA . 15 . HA 1 1
132 1 1 1 1 14 CYS HA . 14 . HA 1 1
132 1 2 1 1 15 ALA MB . 15 . HB# 1 1
133 1 1 1 1 14 CYS HA . 14 . HA 1 1
133 1 2 1 1 16 LYS H . 16 . HN 1 1
134 1 1 1 1 14 CYS HA . 14 . HA 1 1
134 1 2 1 1 17 ASP H . 17 . HN 1 1
135 1 1 1 1 14 CYS HA . 14 . HA 1 1
135 1 2 1 1 19 VAL H . 19 . HN 1 1
136 1 1 1 1 14 CYS HA . 14 . HA 1 1
136 1 2 1 1 19 VAL HB . 19 . HB# 1 1
137 1 1 1 1 14 CYS HA . 14 . HA 1 1
137 1 2 1 1 19 VAL QG . 19 . HG# 1 1
138 1 1 1 1 14 CYS HA . 14 . HA 1 1
138 1 2 1 1 20 CYS H . 20 . HN 1 1
139 1 1 1 1 14 CYS QB . 14 . HB# 1 1
139 1 2 1 1 15 ALA H . 15 . HN 1 1
140 1 1 1 1 14 CYS QB . 14 . HB# 1 1
140 1 2 1 1 18 CYS HA . 18 . HA 1 1
141 1 1 1 1 14 CYS QB . 14 . HB# 1 1
141 1 2 1 1 19 VAL H . 19 . HN 1 1
142 1 1 1 1 15 ALA H . 15 . HN 1 1
142 1 2 1 1 15 ALA HA . 15 . HA 1 1
143 1 1 1 1 15 ALA H . 15 . HN 1 1
143 1 2 1 1 15 ALA MB . 15 . HB# 1 1
144 1 1 1 1 15 ALA H . 15 . HN 1 1
144 1 2 1 1 16 LYS H . 16 . HN 1 1
145 1 1 1 1 15 ALA H . 15 . HN 1 1
145 1 2 1 1 19 VAL QG . 19 . HG# 1 1
146 1 1 1 1 15 ALA HA . 15 . HA 1 1
146 1 2 1 1 16 LYS H . 16 . HN 1 1
147 1 1 1 1 15 ALA HA . 15 . HA 1 1
147 1 2 1 1 17 ASP H . 17 . HN 1 1
148 1 1 1 1 15 ALA MB . 15 . HB# 1 1
148 1 2 1 1 16 LYS H . 16 . HN 1 1
149 1 1 1 1 16 LYS H . 16 . HN 1 1
149 1 2 1 1 16 LYS HA . 16 . HA 1 1
150 1 1 1 1 16 LYS H . 16 . HN 1 1
150 1 2 1 1 16 LYS QB . 16 . HB# 1 1
151 1 1 1 1 16 LYS H . 16 . HN 1 1
151 1 2 1 1 16 LYS QD . 16 . HD# 1 1
152 1 1 1 1 16 LYS H . 16 . HN 1 1
152 1 2 1 1 16 LYS QG . 16 . HG# 1 1
153 1 1 1 1 16 LYS H . 16 . HN 1 1
153 1 2 1 1 17 ASP H . 17 . HN 1 1
154 1 1 1 1 16 LYS H . 16 . HN 1 1
154 1 2 1 1 17 ASP HA . 17 . HA 1 1
155 1 1 1 1 16 LYS H . 16 . HN 1 1
155 1 2 1 1 17 ASP QB . 17 . HB# 1 1
156 1 1 1 1 16 LYS HA . 16 . HA 1 1
156 1 2 1 1 16 LYS QB . 16 . HB# 1 1
157 1 1 1 1 16 LYS HA . 16 . HA 1 1
157 1 2 1 1 16 LYS QD . 16 . HD# 1 1
158 1 1 1 1 16 LYS HA . 16 . HA 1 1
158 1 2 1 1 17 ASP H . 17 . HN 1 1
159 1 1 1 1 16 LYS HA . 16 . HA 1 1
159 1 2 1 1 18 CYS H . 18 . HN 1 1
160 1 1 1 1 16 LYS QB . 16 . HB# 1 1
160 1 2 1 1 17 ASP H . 17 . HN 1 1
161 1 1 1 1 16 LYS QD . 16 . HD# 1 1
161 1 2 1 1 17 ASP H . 17 . HN 1 1
162 1 1 1 1 16 LYS QG . 16 . HG# 1 1
162 1 2 1 1 17 ASP H . 17 . HN 1 1
163 1 1 1 1 17 ASP H . 17 . HN 1 1
163 1 2 1 1 17 ASP HA . 17 . HA 1 1
164 1 1 1 1 17 ASP H . 17 . HN 1 1
164 1 2 1 1 17 ASP QB . 17 . HB# 1 1
165 1 1 1 1 17 ASP H . 17 . HN 1 1
165 1 2 1 1 18 CYS H . 18 . HN 1 1
166 1 1 1 1 17 ASP H . 17 . HN 1 1
166 1 2 1 1 19 VAL QG . 19 . HG# 1 1
167 1 1 1 1 17 ASP HA . 17 . HA 1 1
167 1 2 1 1 17 ASP QB . 17 . HB# 1 1
168 1 1 1 1 17 ASP HA . 17 . HA 1 1
168 1 2 1 1 18 CYS H . 18 . HN 1 1
169 1 1 1 1 17 ASP HA . 17 . HA 1 1
169 1 2 1 1 18 CYS QB . 18 . HB# 1 1
170 1 1 1 1 17 ASP QB . 17 . HB# 1 1
170 1 2 1 1 18 CYS H . 18 . HN 1 1
171 1 1 1 1 18 CYS H . 18 . HN 1 1
171 1 2 1 1 18 CYS QB . 18 . HB# 1 1
172 1 1 1 1 18 CYS H . 18 . HN 1 1
172 1 2 1 1 19 VAL H . 19 . HN 1 1
173 1 1 1 1 18 CYS H . 18 . HN 1 1
173 1 2 1 1 19 VAL QG . 19 . HG# 1 1
174 1 1 1 1 18 CYS HA . 18 . HA 1 1
174 1 2 1 1 19 VAL H . 19 . HN 1 1
175 1 1 1 1 18 CYS HA . 18 . HA 1 1
175 1 2 1 1 19 VAL QG . 19 . HG# 1 1
176 1 1 1 1 18 CYS HA . 18 . HA 1 1
176 1 2 1 1 20 CYS H . 20 . HN 1 1
177 1 1 1 1 18 CYS QB . 18 . HB# 1 1
177 1 2 1 1 19 VAL H . 19 . HN 1 1
178 1 1 1 1 18 CYS QB . 18 . HB# 1 1
178 1 2 1 1 20 CYS H . 20 . HN 1 1
179 1 1 1 1 19 VAL H . 19 . HN 1 1
179 1 2 1 1 19 VAL HB . 19 . HB 1 1
180 1 1 1 1 19 VAL H . 19 . HN 1 1
180 1 2 1 1 19 VAL QG . 19 . HG# 1 1
181 1 1 1 1 19 VAL H . 19 . HN 1 1
181 1 2 1 1 20 CYS H . 20 . HN 1 1
182 1 1 1 1 19 VAL HA . 19 . HA 1 1
182 1 2 1 1 19 VAL HB . 19 . HB 1 1
183 1 1 1 1 19 VAL HA . 19 . HA 1 1
183 1 2 1 1 19 VAL QG . 19 . HG# 1 1
184 1 1 1 1 19 VAL HB . 19 . HB 1 1
184 1 2 1 1 19 VAL QG . 19 . HG# 1 1
185 1 1 1 1 19 VAL HB . 19 . HB 1 1
185 1 2 1 1 20 CYS H . 20 . HN 1 1
186 1 1 1 1 19 VAL QG . 19 . HG# 1 1
186 1 2 1 1 20 CYS H . 20 . HN 1 1
187 1 1 1 1 19 VAL QG . 19 . HG# 1 1
187 1 2 1 1 35 CYS QB . 35 . HB# 1 1
188 1 1 1 1 20 CYS H . 20 . HN 1 1
188 1 2 1 1 20 CYS HA . 20 . HA 1 1
189 1 1 1 1 20 CYS H . 20 . HN 1 1
189 1 2 1 1 20 CYS QB . 20 . HB# 1 1
190 1 1 1 1 20 CYS H . 20 . HN 1 1
190 1 2 1 1 21 LYS H . 21 . HN 1 1
191 1 1 1 1 20 CYS H . 20 . HN 1 1
191 1 2 1 1 21 LYS QB . 21 . HB# 1 1
192 1 1 1 1 20 CYS H . 20 . HN 1 1
192 1 2 1 1 21 LYS QG . 21 . HG# 1 1
193 1 1 1 1 20 CYS HA . 20 . HA 1 1
193 1 2 1 1 21 LYS H . 21 . HN 1 1
194 1 1 1 1 20 CYS HA . 20 . HA 1 1
194 1 2 1 1 22 GLY H . 22 . HN 1 1
195 1 1 1 1 20 CYS QB . 20 . HB# 1 1
195 1 2 1 1 21 LYS H . 21 . HN 1 1
196 1 1 1 1 21 LYS H . 21 . HN 1 1
196 1 2 1 1 21 LYS QB . 21 . HB# 1 1
197 1 1 1 1 21 LYS H . 21 . HN 1 1
197 1 2 1 1 21 LYS QD . 21 . HD# 1 1
198 1 1 1 1 21 LYS H . 21 . HN 1 1
198 1 2 1 1 21 LYS QG . 21 . HG# 1 1
199 1 1 1 1 21 LYS H . 21 . HN 1 1
199 1 2 1 1 22 GLY H . 22 . HN 1 1
200 1 1 1 1 21 LYS HA . 21 . HA 1 1
200 1 2 1 1 21 LYS QB . 21 . HB# 1 1
201 1 1 1 1 21 LYS HA . 21 . HA 1 1
201 1 2 1 1 21 LYS QD . 21 . HD# 1 1
202 1 1 1 1 21 LYS HA . 21 . HA 1 1
202 1 2 1 1 21 LYS QG . 21 . HG# 1 1
203 1 1 1 1 21 LYS HA . 21 . HA 1 1
203 1 2 1 1 22 GLY H . 22 . HN 1 1
204 1 1 1 1 21 LYS HA . 21 . HA 1 1
204 1 2 1 1 22 GLY QA . 22 . HA# 1 1
205 1 1 1 1 21 LYS QB . 21 . HB# 1 1
205 1 2 1 1 22 GLY H . 22 . HN 1 1
206 1 1 1 1 21 LYS QB . 21 . HB# 1 1
206 1 2 1 1 22 GLY QA . 22 . HA# 1 1
207 1 1 1 1 21 LYS QD . 21 . HD# 1 1
207 1 2 1 1 22 GLY H . 22 . HN 1 1
208 1 1 1 1 21 LYS QG . 21 . HG# 1 1
208 1 2 1 1 22 GLY H . 22 . HN 1 1
209 1 1 1 1 22 GLY H . 22 . HN 1 1
209 1 2 1 1 22 GLY QA . 22 . HA# 1 1
210 1 1 1 1 22 GLY H . 22 . HN 1 1
210 1 2 1 1 23 GLU H . 23 . HN 1 1
211 1 1 1 1 22 GLY QA . 22 . HA# 1 1
211 1 2 1 1 23 GLU H . 23 . HN 1 1
212 1 1 1 1 22 GLY QA . 22 . HA# 1 1
212 1 2 1 1 26 ALA MB . 26 . HB# 1 1
213 1 1 1 1 23 GLU H . 23 . HN 1 1
213 1 2 1 1 23 GLU QB . 23 . HB# 1 1
214 1 1 1 1 23 GLU H . 23 . HN 1 1
214 1 2 1 1 23 GLU QG . 23 . HG# 1 1
215 1 1 1 1 23 GLU H . 23 . HN 1 1
215 1 2 1 1 24 GLU H . 24 . HN 1 1
216 1 1 1 1 23 GLU HA . 23 . HA 1 1
216 1 2 1 1 23 GLU QB . 23 . HB# 1 1
217 1 1 1 1 23 GLU HA . 23 . HA 1 1
217 1 2 1 1 23 GLU QG . 23 . HG# 1 1
218 1 1 1 1 23 GLU HA . 23 . HA 1 1
218 1 2 1 1 24 GLU H . 24 . HN 1 1
219 1 1 1 1 23 GLU QG . 23 . HG# 1 1
219 1 2 1 1 24 GLU H . 24 . HN 1 1
220 1 1 1 1 24 GLU H . 24 . HN 1 1
220 1 2 1 1 24 GLU QB . 24 . HB# 1 1
221 1 1 1 1 24 GLU H . 24 . HN 1 1
221 1 2 1 1 24 GLU QG . 24 . HG# 1 1
222 1 1 1 1 24 GLU H . 24 . HN 1 1
222 1 2 1 1 25 GLY H . 25 . HN 1 1
223 1 1 1 1 24 GLU H . 24 . HN 1 1
223 1 2 1 1 26 ALA H . 26 . HN 1 1
224 1 1 1 1 24 GLU HA . 24 . HA 1 1
224 1 2 1 1 24 GLU QB . 24 . HB# 1 1
225 1 1 1 1 24 GLU HA . 24 . HA 1 1
225 1 2 1 1 24 GLU QG . 24 . HG# 1 1
226 1 1 1 1 24 GLU HA . 24 . HA 1 1
226 1 2 1 1 25 GLY H . 25 . HN 1 1
227 1 1 1 1 24 GLU HA . 24 . HA 1 1
227 1 2 1 1 25 GLY QA . 25 . HA# 1 1
228 1 1 1 1 24 GLU HA . 24 . HA 1 1
228 1 2 1 1 26 ALA H . 26 . HN 1 1
229 1 1 1 1 24 GLU QB . 24 . HB# 1 1
229 1 2 1 1 26 ALA H . 26 . HN 1 1
230 1 1 1 1 24 GLU QG . 24 . HG# 1 1
230 1 2 1 1 26 ALA H . 26 . HN 1 1
231 1 1 1 1 25 GLY H . 25 . HN 1 1
231 1 2 1 1 26 ALA H . 26 . HN 1 1
232 1 1 1 1 25 GLY QA . 25 . HA# 1 1
232 1 2 1 1 26 ALA H . 26 . HN 1 1
233 1 1 1 1 25 GLY QA . 25 . HA# 1 1
233 1 2 1 1 26 ALA MB . 26 . HB# 1 1
234 1 1 1 1 26 ALA H . 26 . HN 1 1
234 1 2 1 1 26 ALA HA . 26 . HA 1 1
235 1 1 1 1 26 ALA H . 26 . HN 1 1
235 1 2 1 1 26 ALA MB . 26 . HB# 1 1
236 1 1 1 1 26 ALA H . 26 . HN 1 1
236 1 2 1 1 27 LYS H . 27 . HN 1 1
237 1 1 1 1 26 ALA HA . 26 . HA 1 1
237 1 2 1 1 27 LYS H . 27 . HN 1 1
238 1 1 1 1 26 ALA MB . 26 . HB# 1 1
238 1 2 1 1 27 LYS H . 27 . HN 1 1
239 1 1 1 1 27 LYS H . 27 . HN 1 1
239 1 2 1 1 27 LYS QB . 27 . HB# 1 1
240 1 1 1 1 27 LYS H . 27 . HN 1 1
240 1 2 1 1 27 LYS QD . 27 . HD# 1 1
241 1 1 1 1 27 LYS H . 27 . HN 1 1
241 1 2 1 1 27 LYS QG . 27 . HG# 1 1
242 1 1 1 1 27 LYS HA . 27 . HA 1 1
242 1 2 1 1 27 LYS QB . 27 . HB# 1 1
243 1 1 1 1 27 LYS HA . 27 . HA 1 1
243 1 2 1 1 27 LYS QD . 27 . HD# 1 1
244 1 1 1 1 27 LYS HA . 27 . HA 1 1
244 1 2 1 1 27 LYS QG . 27 . HG# 1 1
245 1 1 1 1 28 ALA H . 28 . HN 1 1
245 1 2 1 1 28 ALA MB . 28 . HB# 1 1
246 1 1 1 1 28 ALA HA . 28 . HA 1 1
246 1 2 1 1 29 GLU H . 29 . HN 1 1
247 1 1 1 1 28 ALA MB . 28 . HB# 1 1
247 1 2 1 1 29 GLU H . 29 . HN 1 1
248 1 1 1 1 29 GLU H . 29 . HN 1 1
248 1 2 1 1 29 GLU QB . 29 . HB# 1 1
249 1 1 1 1 29 GLU H . 29 . HN 1 1
249 1 2 1 1 29 GLU QG . 29 . HG# 1 1
250 1 1 1 1 29 GLU H . 29 . HN 1 1
250 1 2 1 1 30 ALA H . 30 . HN 1 1
251 1 1 1 1 29 GLU HA . 29 . HA 1 1
251 1 2 1 1 29 GLU QB . 29 . HB# 1 1
252 1 1 1 1 29 GLU HA . 29 . HA 1 1
252 1 2 1 1 29 GLU QG . 29 . HG# 1 1
253 1 1 1 1 29 GLU HA . 29 . HA 1 1
253 1 2 1 1 30 ALA H . 30 . HN 1 1
254 1 1 1 1 29 GLU HA . 29 . HA 1 1
254 1 2 1 1 31 GLU H . 31 . HN 1 1
255 1 1 1 1 29 GLU QB . 29 . HB# 1 1
255 1 2 1 1 30 ALA H . 30 . HN 1 1
256 1 1 1 1 29 GLU QG . 29 . HG# 1 1
256 1 2 1 1 30 ALA H . 30 . HN 1 1
257 1 1 1 1 30 ALA H . 30 . HN 1 1
257 1 2 1 1 30 ALA HA . 30 . HA 1 1
258 1 1 1 1 30 ALA H . 30 . HN 1 1
258 1 2 1 1 30 ALA MB . 30 . HB# 1 1
259 1 1 1 1 30 ALA H . 30 . HN 1 1
259 1 2 1 1 31 GLU H . 31 . HN 1 1
260 1 1 1 1 30 ALA HA . 30 . HA 1 1
260 1 2 1 1 32 LYS H . 32 . HN 1 1
261 1 1 1 1 30 ALA MB . 30 . HB# 1 1
261 1 2 1 1 31 GLU H . 31 . HN 1 1
262 1 1 1 1 31 GLU H . 31 . HN 1 1
262 1 2 1 1 31 GLU QB . 31 . HB# 1 1
263 1 1 1 1 31 GLU H . 31 . HN 1 1
263 1 2 1 1 31 GLU QG . 31 . HG# 1 1
264 1 1 1 1 31 GLU H . 31 . HN 1 1
264 1 2 1 1 32 LYS H . 32 . HN 1 1
265 1 1 1 1 31 GLU HA . 31 . HA 1 1
265 1 2 1 1 31 GLU QB . 31 . HB# 1 1
266 1 1 1 1 31 GLU HA . 31 . HA 1 1
266 1 2 1 1 31 GLU QG . 31 . HG# 1 1
267 1 1 1 1 31 GLU HA . 31 . HA 1 1
267 1 2 1 1 32 LYS H . 32 . HN 1 1
268 1 1 1 1 31 GLU HA . 31 . HA 1 1
268 1 2 1 1 32 LYS HA . 32 . HA 1 1
269 1 1 1 1 31 GLU HA . 31 . HA 1 1
269 1 2 1 1 32 LYS QG . 32 . HG# 1 1
270 1 1 1 1 31 GLU QB . 31 . HB# 1 1
270 1 2 1 1 32 LYS H . 32 . HN 1 1
271 1 1 1 1 31 GLU QG . 31 . HG# 1 1
271 1 2 1 1 32 LYS H . 32 . HN 1 1
272 1 1 1 1 32 LYS H . 32 . HN 1 1
272 1 2 1 1 32 LYS QB . 32 . HB# 1 1
273 1 1 1 1 32 LYS H . 32 . HN 1 1
273 1 2 1 1 32 LYS QD . 32 . HD# 1 1
274 1 1 1 1 32 LYS H . 32 . HN 1 1
274 1 2 1 1 32 LYS QG . 32 . HG# 1 1
275 1 1 1 1 32 LYS H . 32 . HN 1 1
275 1 2 1 1 33 CYS H . 33 . HN 1 1
276 1 1 1 1 32 LYS HA . 32 . HA 1 1
276 1 2 1 1 32 LYS QD . 32 . HD# 1 1
277 1 1 1 1 32 LYS HA . 32 . HA 1 1
277 1 2 1 1 32 LYS QG . 32 . HG# 1 1
278 1 1 1 1 32 LYS HA . 32 . HA 1 1
278 1 2 1 1 33 CYS H . 33 . HN 1 1
279 1 1 1 1 32 LYS HA . 32 . HA 1 1
279 1 2 1 1 37 GLN QE . 37 . HE2# 1 1
280 1 1 1 1 32 LYS QB . 32 . HB# 1 1
280 1 2 1 1 33 CYS H . 33 . HN 1 1
281 1 1 1 1 32 LYS QB . 32 . HB# 1 1
281 1 2 1 1 37 GLN QE . 37 . HE2# 1 1
282 1 1 1 1 32 LYS QD . 32 . HD# 1 1
282 1 2 1 1 33 CYS H . 33 . HN 1 1
283 1 1 1 1 32 LYS QD . 32 . HD# 1 1
283 1 2 1 1 37 GLN QE . 37 . HE2# 1 1
284 1 1 1 1 32 LYS QG . 32 . HG# 1 1
284 1 2 1 1 37 GLN QE . 37 . HE2# 1 1
285 1 1 1 1 33 CYS H . 33 . HN 1 1
285 1 2 1 1 33 CYS QB . 33 . HB# 1 1
286 1 1 1 1 33 CYS H . 33 . HN 1 1
286 1 2 1 1 34 SER H . 34 . HN 1 1
287 1 1 1 1 33 CYS H . 33 . HN 1 1
287 1 2 1 1 35 CYS H . 35 . HN 1 1
288 1 1 1 1 33 CYS HA . 33 . HA 1 1
288 1 2 1 1 34 SER H . 34 . HN 1 1
289 1 1 1 1 33 CYS HA . 33 . HA 1 1
289 1 2 1 1 34 SER QB . 34 . HB# 1 1
290 1 1 1 1 33 CYS HA . 33 . HA 1 1
290 1 2 1 1 35 CYS H . 35 . HN 1 1
291 1 1 1 1 33 CYS QB . 33 . HB# 1 1
291 1 2 1 1 34 SER H . 34 . HN 1 1
292 1 1 1 1 33 CYS QB . 33 . HB# 1 1
292 1 2 1 1 34 SER QB . 34 . HB# 1 1
293 1 1 1 1 33 CYS QB . 33 . HB# 1 1
293 1 2 1 1 35 CYS H . 35 . HN 1 1
294 1 1 1 1 33 CYS QB . 33 . HB# 1 1
294 1 2 1 1 36 CYS H . 36 . HN 1 1
295 1 1 1 1 34 SER H . 34 . HN 1 1
295 1 2 1 1 34 SER QB . 34 . HB# 1 1
296 1 1 1 1 34 SER H . 34 . HN 1 1
296 1 2 1 1 35 CYS H . 35 . HN 1 1
297 1 1 1 1 34 SER H . 34 . HN 1 1
297 1 2 1 1 35 CYS HA . 35 . HA 1 1
298 1 1 1 1 34 SER H . 34 . HN 1 1
298 1 2 1 1 35 CYS QB . 35 . HB# 1 1
299 1 1 1 1 34 SER H . 34 . HN 1 1
299 1 2 1 1 36 CYS H . 36 . HN 1 1
300 1 1 1 1 34 SER HA . 34 . HA 1 1
300 1 2 1 1 34 SER QB . 34 . HB# 1 1
301 1 1 1 1 34 SER HA . 34 . HA 1 1
301 1 2 1 1 35 CYS H . 35 . HN 1 1
302 1 1 1 1 34 SER HA . 34 . HA 1 1
302 1 2 1 1 37 GLN H . 37 . HN 1 1
303 1 1 1 1 34 SER HA . 34 . HA 1 1
303 1 2 1 1 37 GLN QE . 37 . HE2# 1 1
304 1 1 1 1 34 SER HA . 34 . HA 1 1
304 1 2 1 1 37 GLN QG . 37 . HG# 1 1
305 1 1 1 1 34 SER QB . 34 . HB# 1 1
305 1 2 1 1 35 CYS H . 35 . HN 1 1
306 1 1 1 1 35 CYS H . 35 . HN 1 1
306 1 2 1 1 35 CYS QB . 35 . HB# 1 1
307 1 1 1 1 35 CYS H . 35 . HN 1 1
307 1 2 1 1 36 CYS H . 36 . HN 1 1
308 1 1 1 1 35 CYS H . 35 . HN 1 1
308 1 2 1 1 36 CYS HA . 36 . HA 1 1
309 1 1 1 1 35 CYS H . 35 . HN 1 1
309 1 2 1 1 36 CYS QB . 36 . HB# 1 1
310 1 1 1 1 35 CYS H . 35 . HN 1 1
310 1 2 1 1 37 GLN H . 37 . HN 1 1
311 1 1 1 1 35 CYS HA . 35 . HA 1 1
311 1 2 1 1 35 CYS QB . 35 . HB# 1 1
312 1 1 1 1 35 CYS HA . 35 . HA 1 1
312 1 2 1 1 36 CYS H . 36 . HN 1 1
313 1 1 1 1 35 CYS HA . 35 . HA 1 1
313 1 2 1 1 37 GLN H . 37 . HN 1 1
314 1 1 1 1 35 CYS QB . 35 . HB# 1 1
314 1 2 1 1 36 CYS H . 36 . HN 1 1
315 1 1 1 1 36 CYS H . 36 . HN 1 1
315 1 2 1 1 36 CYS QB . 36 . HB# 1 1
316 1 1 1 1 36 CYS H . 36 . HN 1 1
316 1 2 1 1 37 GLN H . 37 . HN 1 1
317 1 1 1 1 36 CYS H . 36 . HN 1 1
317 1 2 1 1 37 GLN HA . 37 . HA 1 1
318 1 1 1 1 36 CYS H . 36 . HN 1 1
318 1 2 1 1 37 GLN QG . 37 . HG# 1 1
319 1 1 1 1 36 CYS HA . 36 . HA 1 1
319 1 2 1 1 37 GLN H . 37 . HN 1 1
320 1 1 1 1 36 CYS HA . 36 . HA 1 1
320 1 2 1 1 37 GLN HA . 37 . HA 1 1
321 1 1 1 1 36 CYS QB . 36 . HB# 1 1
321 1 2 1 1 37 GLN H . 37 . HN 1 1
322 1 1 1 1 37 GLN H . 37 . HN 1 1
322 1 2 1 1 37 GLN HA . 37 . HA 1 1
323 1 1 1 1 37 GLN H . 37 . HN 1 1
323 1 2 1 1 37 GLN QB . 37 . HB# 1 1
324 1 1 1 1 37 GLN H . 37 . HN 1 1
324 1 2 1 1 37 GLN QG . 37 . HG# 1 1
325 1 1 1 1 37 GLN HA . 37 . HA 1 1
325 1 2 1 1 37 GLN QB . 37 . HB# 1 1
326 1 1 1 1 37 GLN HA . 37 . HA 1 1
326 1 2 1 1 37 GLN QE . 37 . HE2# 1 1
327 1 1 1 1 37 GLN HA . 37 . HA 1 1
327 1 2 1 1 37 GLN QG . 37 . HG# 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 5.0 1 1
3 1 . . . . . 1.8 1.8 3.3 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 3.3 1 1
7 1 . . . . . 1.8 1.8 3.3 1 1
8 1 . . . . . 1.8 1.8 3.3 1 1
9 1 . . . . . 1.8 1.8 5.5 1 1
10 1 . . . . . 1.8 1.8 3.3 1 1
11 1 . . . . . 1.8 1.8 5.0 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 5.5 1 1
15 1 . . . . . 1.8 1.8 3.3 1 1
16 1 . . . . . 1.8 1.8 5.0 1 1
17 1 . . . . . 1.8 1.8 5.5 1 1
18 1 . . . . . 1.8 1.8 3.3 1 1
19 1 . . . . . 1.8 1.8 3.3 1 1
20 1 . . . . . 1.8 1.8 5.0 1 1
21 1 . . . . . 1.8 1.8 3.3 1 1
22 1 . . . . . 1.8 1.8 5.0 1 1
23 1 . . . . . 1.8 1.8 5.5 1 1
24 1 . . . . . 1.8 1.8 5.0 1 1
25 1 . . . . . 1.8 1.8 2.7 1 1
26 1 . . . . . 1.8 1.8 5.0 1 1
27 1 . . . . . 1.8 1.8 5.0 1 1
28 1 . . . . . 1.8 1.8 3.3 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 3.3 1 1
32 1 . . . . . 1.8 1.8 5.5 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 3.3 1 1
36 1 . . . . . 1.8 1.8 3.3 1 1
37 1 . . . . . 1.8 1.8 3.8 1 1
38 1 . . . . . 1.8 1.8 5.5 1 1
39 1 . . . . . 1.8 1.8 5.0 1 1
40 1 . . . . . 1.8 1.8 5.0 1 1
41 1 . . . . . 1.8 1.8 3.8 1 1
42 1 . . . . . 1.8 1.8 3.3 1 1
43 1 . . . . . 1.8 1.8 5.0 1 1
44 1 . . . . . 1.8 1.8 3.8 1 1
45 1 . . . . . 1.8 1.8 2.7 1 1
46 1 . . . . . 1.8 1.8 2.7 1 1
47 1 . . . . . 1.8 1.8 5.0 1 1
48 1 . . . . . 1.8 1.8 2.7 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 5.0 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 3.8 1 1
57 1 . . . . . 1.8 1.8 3.3 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 3.2 1 1
62 1 . . . . . 1.8 1.8 5.0 1 1
63 1 . . . . . 1.8 1.8 3.8 1 1
64 1 . . . . . 1.8 1.8 5.5 1 1
65 1 . . . . . 1.8 1.8 3.3 1 1
66 1 . . . . . 1.8 1.8 5.0 1 1
67 1 . . . . . 1.8 1.8 3.8 1 1
68 1 . . . . . 1.8 1.8 2.7 1 1
69 1 . . . . . 1.8 1.8 2.7 1 1
70 1 . . . . . 1.8 1.8 5.0 1 1
71 1 . . . . . 1.8 1.8 5.0 1 1
72 1 . . . . . 1.8 1.8 5.0 1 1
73 1 . . . . . 1.8 1.8 5.5 1 1
74 1 . . . . . 1.8 1.8 2.7 1 1
75 1 . . . . . 1.8 1.8 5.0 1 1
76 1 . . . . . 1.8 1.8 5.0 1 1
77 1 . . . . . 1.8 1.8 3.3 1 1
78 1 . . . . . 1.8 1.8 3.3 1 1
79 1 . . . . . 1.8 1.8 5.0 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 5.0 1 1
84 1 . . . . . 1.8 1.8 5.0 1 1
85 1 . . . . . 1.8 1.8 5.5 1 1
86 1 . . . . . 1.8 1.8 5.0 1 1
87 1 . . . . . 1.8 1.8 5.5 1 1
88 1 . . . . . 1.8 1.8 2.7 1 1
89 1 . . . . . 1.8 1.8 3.3 1 1
90 1 . . . . . 1.8 1.8 3.3 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 3.3 1 1
94 1 . . . . . 1.8 1.8 5.0 1 1
95 1 . . . . . 1.8 1.8 5.0 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 3.3 1 1
100 1 . . . . . 1.8 1.8 2.7 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 3.3 1 1
104 1 . . . . . 1.8 1.8 5.5 1 1
105 1 . . . . . 1.8 1.8 2.7 1 1
106 1 . . . . . 1.8 1.8 3.3 1 1
107 1 . . . . . 1.8 1.8 3.3 1 1
108 1 . . . . . 1.8 1.8 3.3 1 1
109 1 . . . . . 1.8 1.8 5.0 1 1
110 1 . . . . . 1.8 1.8 5.5 1 1
111 1 . . . . . 1.8 1.8 2.7 1 1
112 1 . . . . . 1.8 1.8 5.0 1 1
113 1 . . . . . 1.8 1.8 3.8 1 1
114 1 . . . . . 1.8 1.8 5.0 1 1
115 1 . . . . . 1.8 1.8 5.0 1 1
116 1 . . . . . 1.8 1.8 5.0 1 1
117 1 . . . . . 1.8 1.8 5.5 1 1
118 1 . . . . . 1.8 1.8 3.3 1 1
119 1 . . . . . 1.8 1.8 5.5 1 1
120 1 . . . . . 1.8 1.8 5.5 1 1
121 1 . . . . . 1.8 1.8 5.0 1 1
122 1 . . . . . 1.8 1.8 5.5 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 5.0 1 1
126 1 . . . . . 1.8 1.8 3.2 1 1
127 1 . . . . . 1.8 1.8 2.7 1 1
128 1 . . . . . 1.8 1.8 3.8 1 1
129 1 . . . . . 1.8 1.8 5.5 1 1
130 1 . . . . . 1.8 1.8 3.3 1 1
131 1 . . . . . 1.8 1.8 5.0 1 1
132 1 . . . . . 1.8 1.8 5.5 1 1
133 1 . . . . . 1.8 1.8 5.0 1 1
134 1 . . . . . 1.8 1.8 5.0 1 1
135 1 . . . . . 1.8 1.8 3.3 1 1
136 1 . . . . . 1.8 1.8 5.0 1 1
137 1 . . . . . 1.8 1.8 3.8 1 1
138 1 . . . . . 1.8 1.8 5.0 1 1
139 1 . . . . . 1.8 1.8 5.0 1 1
140 1 . . . . . 1.8 1.8 5.0 1 1
141 1 . . . . . 1.8 1.8 5.5 1 1
142 1 . . . . . 1.8 1.8 2.7 1 1
143 1 . . . . . 1.8 1.8 3.2 1 1
144 1 . . . . . 1.8 1.8 2.7 1 1
145 1 . . . . . 1.8 1.8 5.5 1 1
146 1 . . . . . 1.8 1.8 3.3 1 1
147 1 . . . . . 1.8 1.8 5.0 1 1
148 1 . . . . . 1.8 1.8 3.8 1 1
149 1 . . . . . 1.8 1.8 2.7 1 1
150 1 . . . . . 1.8 1.8 2.7 1 1
151 1 . . . . . 1.8 1.8 5.0 1 1
152 1 . . . . . 1.8 1.8 5.0 1 1
153 1 . . . . . 1.8 1.8 2.7 1 1
154 1 . . . . . 1.8 1.8 5.0 1 1
155 1 . . . . . 1.8 1.8 5.0 1 1
156 1 . . . . . 1.8 1.8 2.7 1 1
157 1 . . . . . 1.8 1.8 3.3 1 1
158 1 . . . . . 1.8 1.8 3.3 1 1
159 1 . . . . . 1.8 1.8 5.0 1 1
160 1 . . . . . 1.8 1.8 2.7 1 1
161 1 . . . . . 1.8 1.8 5.0 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 3.3 1 1
165 1 . . . . . 1.8 1.8 5.0 1 1
166 1 . . . . . 1.8 1.8 5.5 1 1
167 1 . . . . . 1.8 1.8 2.7 1 1
168 1 . . . . . 1.8 1.8 2.7 1 1
169 1 . . . . . 1.8 1.8 5.0 1 1
170 1 . . . . . 1.8 1.8 5.0 1 1
171 1 . . . . . 1.8 1.8 3.2 1 1
172 1 . . . . . 1.8 1.8 5.0 1 1
173 1 . . . . . 1.8 1.8 5.5 1 1
174 1 . . . . . 1.8 1.8 2.7 1 1
175 1 . . . . . 1.8 1.8 5.5 1 1
176 1 . . . . . 1.8 1.8 3.3 1 1
177 1 . . . . . 1.8 1.8 5.0 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 3.2 1 1
181 1 . . . . . 1.8 1.8 2.7 1 1
182 1 . . . . . 1.8 1.8 2.7 1 1
183 1 . . . . . 1.8 1.8 3.8 1 1
184 1 . . . . . 1.8 1.8 2.7 1 1
185 1 . . . . . 1.8 1.8 5.0 1 1
186 1 . . . . . 1.8 1.8 3.8 1 1
187 1 . . . . . 1.8 1.8 5.5 1 1
188 1 . . . . . 1.8 1.8 2.7 1 1
189 1 . . . . . 1.8 1.8 3.3 1 1
190 1 . . . . . 1.8 1.8 2.7 1 1
191 1 . . . . . 1.8 1.8 5.5 1 1
192 1 . . . . . 1.8 1.8 5.5 1 1
193 1 . . . . . 1.8 1.8 3.3 1 1
194 1 . . . . . 1.8 1.8 3.3 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 5.0 1 1
198 1 . . . . . 1.8 1.8 3.3 1 1
199 1 . . . . . 1.8 1.8 3.3 1 1
200 1 . . . . . 1.8 1.8 2.7 1 1
201 1 . . . . . 1.8 1.8 3.3 1 1
202 1 . . . . . 1.8 1.8 3.3 1 1
203 1 . . . . . 1.8 1.8 3.3 1 1
204 1 . . . . . 1.8 1.8 5.0 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 5.0 1 1
208 1 . . . . . 1.8 1.8 5.0 1 1
209 1 . . . . . 1.8 1.8 2.7 1 1
210 1 . . . . . 1.8 1.8 5.0 1 1
211 1 . . . . . 1.8 1.8 3.3 1 1
212 1 . . . . . 1.8 1.8 5.5 1 1
213 1 . . . . . 1.8 1.8 2.7 1 1
214 1 . . . . . 1.8 1.8 3.3 1 1
215 1 . . . . . 1.8 1.8 3.3 1 1
216 1 . . . . . 1.8 1.8 2.7 1 1
217 1 . . . . . 1.8 1.8 3.3 1 1
218 1 . . . . . 1.8 1.8 2.7 1 1
219 1 . . . . . 1.8 1.8 5.0 1 1
220 1 . . . . . 1.8 1.8 2.7 1 1
221 1 . . . . . 1.8 1.8 3.3 1 1
222 1 . . . . . 1.8 1.8 3.3 1 1
223 1 . . . . . 1.8 1.8 5.0 1 1
224 1 . . . . . 1.8 1.8 2.7 1 1
225 1 . . . . . 1.8 1.8 3.3 1 1
226 1 . . . . . 1.8 1.8 3.3 1 1
227 1 . . . . . 1.8 1.8 5.0 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 5.0 1 1
231 1 . . . . . 1.8 1.8 3.3 1 1
232 1 . . . . . 1.8 1.8 3.3 1 1
233 1 . . . . . 1.8 1.8 5.5 1 1
234 1 . . . . . 1.8 1.8 2.7 1 1
235 1 . . . . . 1.8 1.8 3.2 1 1
236 1 . . . . . 1.8 1.8 3.3 1 1
237 1 . . . . . 1.8 1.8 2.7 1 1
238 1 . . . . . 1.8 1.8 3.8 1 1
239 1 . . . . . 1.8 1.8 2.7 1 1
240 1 . . . . . 1.8 1.8 5.0 1 1
241 1 . . . . . 1.8 1.8 3.3 1 1
242 1 . . . . . 1.8 1.8 2.7 1 1
243 1 . . . . . 1.8 1.8 3.3 1 1
244 1 . . . . . 1.8 1.8 3.3 1 1
245 1 . . . . . 1.8 1.8 3.2 1 1
246 1 . . . . . 1.8 1.8 3.3 1 1
247 1 . . . . . 1.8 1.8 3.2 1 1
248 1 . . . . . 1.8 1.8 2.7 1 1
249 1 . . . . . 1.8 1.8 2.7 1 1
250 1 . . . . . 1.8 1.8 2.7 1 1
251 1 . . . . . 1.8 1.8 2.7 1 1
252 1 . . . . . 1.8 1.8 3.3 1 1
253 1 . . . . . 1.8 1.8 3.3 1 1
254 1 . . . . . 1.8 1.8 3.3 1 1
255 1 . . . . . 1.8 1.8 3.3 1 1
256 1 . . . . . 1.8 1.8 3.3 1 1
257 1 . . . . . 1.8 1.8 2.7 1 1
258 1 . . . . . 1.8 1.8 3.2 1 1
259 1 . . . . . 1.8 1.8 3.3 1 1
260 1 . . . . . 1.8 1.8 5.0 1 1
261 1 . . . . . 1.8 1.8 3.2 1 1
262 1 . . . . . 1.8 1.8 3.3 1 1
263 1 . . . . . 1.8 1.8 3.3 1 1
264 1 . . . . . 1.8 1.8 3.3 1 1
265 1 . . . . . 1.8 1.8 2.7 1 1
266 1 . . . . . 1.8 1.8 3.3 1 1
267 1 . . . . . 1.8 1.8 3.3 1 1
268 1 . . . . . 1.8 1.8 5.0 1 1
269 1 . . . . . 1.8 1.8 5.0 1 1
270 1 . . . . . 1.8 1.8 3.3 1 1
271 1 . . . . . 1.8 1.8 5.0 1 1
272 1 . . . . . 1.8 1.8 3.3 1 1
273 1 . . . . . 1.8 1.8 3.3 1 1
274 1 . . . . . 1.8 1.8 2.7 1 1
275 1 . . . . . 1.8 1.8 5.0 1 1
276 1 . . . . . 1.8 1.8 3.3 1 1
277 1 . . . . . 1.8 1.8 3.3 1 1
278 1 . . . . . 1.8 1.8 2.7 1 1
279 1 . . . . . 1.8 1.8 5.5 1 1
280 1 . . . . . 1.8 1.8 3.3 1 1
281 1 . . . . . 1.8 1.8 5.0 1 1
282 1 . . . . . 1.8 1.8 3.3 1 1
283 1 . . . . . 1.8 1.8 5.0 1 1
284 1 . . . . . 1.8 1.8 5.0 1 1
285 1 . . . . . 1.8 1.8 3.3 1 1
286 1 . . . . . 1.8 1.8 5.0 1 1
287 1 . . . . . 1.8 1.8 5.0 1 1
288 1 . . . . . 1.8 1.8 3.3 1 1
289 1 . . . . . 1.8 1.8 5.0 1 1
290 1 . . . . . 1.8 1.8 5.0 1 1
291 1 . . . . . 1.8 1.8 3.3 1 1
292 1 . . . . . 1.8 1.8 5.0 1 1
293 1 . . . . . 1.8 1.8 3.3 1 1
294 1 . . . . . 1.8 1.8 5.0 1 1
295 1 . . . . . 1.8 1.8 3.3 1 1
296 1 . . . . . 1.8 1.8 2.7 1 1
297 1 . . . . . 1.8 1.8 5.0 1 1
298 1 . . . . . 1.8 1.8 5.0 1 1
299 1 . . . . . 1.8 1.8 5.0 1 1
300 1 . . . . . 1.8 1.8 2.7 1 1
301 1 . . . . . 1.8 1.8 3.3 1 1
302 1 . . . . . 1.8 1.8 5.0 1 1
303 1 . . . . . 1.8 1.8 5.0 1 1
304 1 . . . . . 1.8 1.8 3.3 1 1
305 1 . . . . . 1.8 1.8 5.0 1 1
306 1 . . . . . 1.8 1.8 3.3 1 1
307 1 . . . . . 1.8 1.8 2.7 1 1
308 1 . . . . . 1.8 1.8 5.0 1 1
309 1 . . . . . 1.8 1.8 5.0 1 1
310 1 . . . . . 1.8 1.8 5.0 1 1
311 1 . . . . . 1.8 1.8 2.7 1 1
312 1 . . . . . 1.8 1.8 3.3 1 1
313 1 . . . . . 1.8 1.8 5.0 1 1
314 1 . . . . . 1.8 1.8 3.3 1 1
315 1 . . . . . 1.8 1.8 2.7 1 1
316 1 . . . . . 1.8 1.8 2.7 1 1
317 1 . . . . . 1.8 1.8 5.0 1 1
318 1 . . . . . 1.8 1.8 5.0 1 1
319 1 . . . . . 1.8 1.8 3.3 1 1
320 1 . . . . . 1.8 1.8 5.0 1 1
321 1 . . . . . 1.8 1.8 5.0 1 1
322 1 . . . . . 1.8 1.8 2.7 1 1
323 1 . . . . . 1.8 1.8 3.2 1 1
324 1 . . . . . 1.8 1.8 3.3 1 1
325 1 . . . . . 1.8 1.8 2.7 1 1
326 1 . . . . . 1.8 1.8 5.0 1 1
327 1 . . . . . 1.8 1.8 3.3 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 -5.594 3.158 6.877 1.00 . A A . 32 LYS C 1 1
1 2 1 1 1 LYS CA C -6.337 3.073 8.213 1.00 . A A . 32 LYS CA 1 1
1 3 1 1 1 LYS CB C -5.379 2.656 9.329 1.00 . A A . 32 LYS CB 1 1
1 4 1 1 1 LYS CD C -4.818 3.695 11.530 1.00 . A A . 32 LYS CD 1 1
1 5 1 1 1 LYS CE C -4.744 5.205 11.295 1.00 . A A . 32 LYS CE 1 1
1 6 1 1 1 LYS CG C -5.943 3.101 10.680 1.00 . A A . 32 LYS CG 1 1
1 7 1 1 1 LYS H1 H -7.980 2.062 9.003 1.00 . A A . 32 LYS H1 1 1
1 8 1 1 1 LYS H2 H -6.896 1.067 8.154 1.00 . A A . 32 LYS H2 1 1
1 9 1 1 1 LYS H3 H -7.944 2.102 7.307 1.00 . A A . 32 LYS H3 1 1
1 10 1 1 1 LYS HA H -6.793 4.021 8.454 1.00 . A A . 32 LYS HA 1 1
1 11 1 1 1 LYS HB2 H -5.265 1.582 9.321 1.00 . A A . 32 LYS HB2 1 1
1 12 1 1 1 LYS HB3 H -4.418 3.122 9.171 1.00 . A A . 32 LYS HB3 1 1
1 13 1 1 1 LYS HD2 H -5.016 3.501 12.574 1.00 . A A . 32 LYS HD2 1 1
1 14 1 1 1 LYS HD3 H -3.879 3.243 11.251 1.00 . A A . 32 LYS HD3 1 1
1 15 1 1 1 LYS HE2 H -5.499 5.512 10.584 1.00 . A A . 32 LYS HE2 1 1
1 16 1 1 1 LYS HE3 H -4.863 5.738 12.226 1.00 . A A . 32 LYS HE3 1 1
1 17 1 1 1 LYS HG2 H -6.709 3.845 10.522 1.00 . A A . 32 LYS HG2 1 1
1 18 1 1 1 LYS HG3 H -6.366 2.250 11.192 1.00 . A A . 32 LYS HG3 1 1
1 19 1 1 1 LYS HZ1 H -2.670 5.090 11.416 1.00 . A A . 32 LYS HZ1 1 1
1 20 1 1 1 LYS HZ2 H -3.241 6.460 10.590 1.00 . A A . 32 LYS HZ2 1 1
1 21 1 1 1 LYS HZ3 H -3.279 4.936 9.841 1.00 . A A . 32 LYS HZ3 1 1
1 22 1 1 1 LYS N N -7.367 1.994 8.166 1.00 . A A . 32 LYS N 1 1
1 23 1 1 1 LYS NZ N -3.381 5.441 10.744 1.00 . A A . 32 LYS NZ 1 1
1 24 1 1 1 LYS O O -5.627 2.242 6.079 1.00 . A A . 32 LYS O 1 1
1 25 1 1 2 SER C C -3.225 3.205 5.162 1.00 . A A . 33 SER C 1 1
1 26 1 1 2 SER CA C -4.174 4.387 5.344 1.00 . A A . 33 SER CA 1 1
1 27 1 1 2 SER CB C -3.389 5.690 5.482 1.00 . A A . 33 SER CB 1 1
1 28 1 1 2 SER H H -4.906 4.975 7.286 1.00 . A A . 33 SER H 1 1
1 29 1 1 2 SER HA H -4.855 4.451 4.519 1.00 . A A . 33 SER HA 1 1
1 30 1 1 2 SER HB2 H -2.992 5.770 6.480 1.00 . A A . 33 SER HB2 1 1
1 31 1 1 2 SER HB3 H -2.573 5.694 4.771 1.00 . A A . 33 SER HB3 1 1
1 32 1 1 2 SER HG H -3.973 7.520 5.790 1.00 . A A . 33 SER HG 1 1
1 33 1 1 2 SER N N -4.921 4.249 6.628 1.00 . A A . 33 SER N 1 1
1 34 1 1 2 SER O O -2.796 2.901 4.068 1.00 . A A . 33 SER O 1 1
1 35 1 1 2 SER OG O -4.255 6.790 5.235 1.00 . A A . 33 SER OG 1 1
1 36 1 1 3 CYS C C -0.896 1.543 5.137 1.00 . A A . 34 CYS C 1 1
1 37 1 1 3 CYS CA C -1.990 1.363 6.183 1.00 . A A . 34 CYS CA 1 1
1 38 1 1 3 CYS CB C -2.876 0.170 5.784 1.00 . A A . 34 CYS CB 1 1
1 39 1 1 3 CYS H H -3.287 2.827 7.094 1.00 . A A . 34 CYS H 1 1
1 40 1 1 3 CYS HA H -1.556 1.182 7.153 1.00 . A A . 34 CYS HA 1 1
1 41 1 1 3 CYS HB2 H -2.356 -0.750 6.003 1.00 . A A . 34 CYS HB2 1 1
1 42 1 1 3 CYS HB3 H -3.795 0.203 6.351 1.00 . A A . 34 CYS HB3 1 1
1 43 1 1 3 CYS HG H -4.151 0.589 3.903 1.00 . A A . 34 CYS HG 1 1
1 44 1 1 3 CYS N N -2.909 2.545 6.237 1.00 . A A . 34 CYS N 1 1
1 45 1 1 3 CYS O O -0.408 0.570 4.611 1.00 . A A . 34 CYS O 1 1
1 46 1 1 3 CYS SG S -3.266 0.229 4.002 1.00 . A A . 34 CYS SG 1 1
1 47 1 1 4 CYS C C 0.958 4.309 3.470 1.00 . A A . 35 CYS C 1 1
1 48 1 1 4 CYS CA C 0.523 2.876 3.733 1.00 . A A . 35 CYS CA 1 1
1 49 1 1 4 CYS CB C -0.191 2.377 2.489 1.00 . A A . 35 CYS CB 1 1
1 50 1 1 4 CYS H H -0.921 3.541 5.203 1.00 . A A . 35 CYS H 1 1
1 51 1 1 4 CYS HA H 1.375 2.254 3.926 1.00 . A A . 35 CYS HA 1 1
1 52 1 1 4 CYS HB2 H -1.256 2.372 2.664 1.00 . A A . 35 CYS HB2 1 1
1 53 1 1 4 CYS HB3 H 0.032 3.034 1.665 1.00 . A A . 35 CYS HB3 1 1
1 54 1 1 4 CYS HG H -0.175 0.403 1.340 1.00 . A A . 35 CYS HG 1 1
1 55 1 1 4 CYS N N -0.515 2.748 4.796 1.00 . A A . 35 CYS N 1 1
1 56 1 1 4 CYS O O 0.250 5.264 3.722 1.00 . A A . 35 CYS O 1 1
1 57 1 1 4 CYS SG S 0.351 0.713 2.081 1.00 . A A . 35 CYS SG 1 1
1 58 1 1 5 SER C C 2.357 5.861 0.951 1.00 . A A . 36 SER C 1 1
1 59 1 1 5 SER CA C 2.622 5.745 2.454 1.00 . A A . 36 SER CA 1 1
1 60 1 1 5 SER CB C 4.119 5.699 2.742 1.00 . A A . 36 SER CB 1 1
1 61 1 1 5 SER H H 2.603 3.619 2.631 1.00 . A A . 36 SER H 1 1
1 62 1 1 5 SER HA H 2.146 6.544 3.001 1.00 . A A . 36 SER HA 1 1
1 63 1 1 5 SER HB2 H 4.417 4.680 2.924 1.00 . A A . 36 SER HB2 1 1
1 64 1 1 5 SER HB3 H 4.657 6.083 1.887 1.00 . A A . 36 SER HB3 1 1
1 65 1 1 5 SER HG H 3.913 6.118 4.632 1.00 . A A . 36 SER HG 1 1
1 66 1 1 5 SER N N 2.103 4.426 2.870 1.00 . A A . 36 SER N 1 1
1 67 1 1 5 SER O O 2.430 6.923 0.365 1.00 . A A . 36 SER O 1 1
1 68 1 1 5 SER OG O 4.403 6.485 3.893 1.00 . A A . 36 SER OG 1 1
1 69 1 1 6 CYS C C 0.193 4.624 -1.350 1.00 . A A . 37 CYS C 1 1
1 70 1 1 6 CYS CA C 1.700 4.759 -1.131 1.00 . A A . 37 CYS CA 1 1
1 71 1 1 6 CYS CB C 2.453 3.592 -1.777 1.00 . A A . 37 CYS CB 1 1
1 72 1 1 6 CYS H H 1.938 3.913 0.851 1.00 . A A . 37 CYS H 1 1
1 73 1 1 6 CYS HA H 2.039 5.670 -1.575 1.00 . A A . 37 CYS HA 1 1
1 74 1 1 6 CYS HB2 H 1.916 3.291 -2.651 1.00 . A A . 37 CYS HB2 1 1
1 75 1 1 6 CYS HB3 H 3.430 3.945 -2.063 1.00 . A A . 37 CYS HB3 1 1
1 76 1 1 6 CYS HG H 2.060 1.459 -0.999 1.00 . A A . 37 CYS HG 1 1
1 77 1 1 6 CYS N N 2.014 4.748 0.334 1.00 . A A . 37 CYS N 1 1
1 78 1 1 6 CYS O O -0.295 4.625 -2.464 1.00 . A A . 37 CYS O 1 1
1 79 1 1 6 CYS SG S 2.637 2.155 -0.676 1.00 . A A . 37 CYS SG 1 1
1 80 1 1 7 CYS C C -2.703 5.103 0.750 1.00 . A A . 38 CYS C 1 1
1 81 1 1 7 CYS CA C -1.999 4.338 -0.365 1.00 . A A . 38 CYS CA 1 1
1 82 1 1 7 CYS CB C -2.181 2.865 -0.145 1.00 . A A . 38 CYS CB 1 1
1 83 1 1 7 CYS H H -0.115 4.471 0.570 1.00 . A A . 38 CYS H 1 1
1 84 1 1 7 CYS HA H -2.374 4.616 -1.322 1.00 . A A . 38 CYS HA 1 1
1 85 1 1 7 CYS HB2 H -1.766 2.601 0.816 1.00 . A A . 38 CYS HB2 1 1
1 86 1 1 7 CYS HB3 H -3.226 2.624 -0.171 1.00 . A A . 38 CYS HB3 1 1
1 87 1 1 7 CYS HG H -1.159 1.073 -1.128 1.00 . A A . 38 CYS HG 1 1
1 88 1 1 7 CYS N N -0.535 4.493 -0.286 1.00 . A A . 38 CYS N 1 1
1 89 1 1 7 CYS O O -2.134 5.350 1.795 1.00 . A A . 38 CYS O 1 1
1 90 1 1 7 CYS SG S -1.314 1.969 -1.439 1.00 . A A . 38 CYS SG 1 1
1 91 1 1 8 PRO C C -5.518 5.077 2.310 1.00 . A A . 39 PRO C 1 1
1 92 1 1 8 PRO CA C -4.768 6.120 1.480 1.00 . A A . 39 PRO CA 1 1
1 93 1 1 8 PRO CB C -5.731 6.921 0.609 1.00 . A A . 39 PRO CB 1 1
1 94 1 1 8 PRO CD C -4.687 5.163 -0.734 1.00 . A A . 39 PRO CD 1 1
1 95 1 1 8 PRO CG C -5.807 6.181 -0.701 1.00 . A A . 39 PRO CG 1 1
1 96 1 1 8 PRO HA H -4.178 6.774 2.102 1.00 . A A . 39 PRO HA 1 1
1 97 1 1 8 PRO HB2 H -6.707 6.964 1.074 1.00 . A A . 39 PRO HB2 1 1
1 98 1 1 8 PRO HB3 H -5.349 7.917 0.445 1.00 . A A . 39 PRO HB3 1 1
1 99 1 1 8 PRO HD2 H -5.091 4.162 -0.732 1.00 . A A . 39 PRO HD2 1 1
1 100 1 1 8 PRO HD3 H -4.058 5.316 -1.595 1.00 . A A . 39 PRO HD3 1 1
1 101 1 1 8 PRO HG2 H -6.761 5.679 -0.781 1.00 . A A . 39 PRO HG2 1 1
1 102 1 1 8 PRO HG3 H -5.689 6.873 -1.520 1.00 . A A . 39 PRO HG3 1 1
1 103 1 1 8 PRO N N -3.939 5.419 0.495 1.00 . A A . 39 PRO N 1 1
1 104 1 1 8 PRO O O -5.275 3.893 2.189 1.00 . A A . 39 PRO O 1 1
1 105 1 1 9 ALA C C -8.341 3.924 3.115 1.00 . A A . 40 ALA C 1 1
1 106 1 1 9 ALA CA C -7.188 4.492 3.941 1.00 . A A . 40 ALA CA 1 1
1 107 1 1 9 ALA CB C -7.726 5.278 5.126 1.00 . A A . 40 ALA CB 1 1
1 108 1 1 9 ALA H H -6.626 6.445 3.218 1.00 . A A . 40 ALA H 1 1
1 109 1 1 9 ALA HA H -6.538 3.702 4.282 1.00 . A A . 40 ALA HA 1 1
1 110 1 1 9 ALA HB1 H -7.177 6.203 5.219 1.00 . A A . 40 ALA HB1 1 1
1 111 1 1 9 ALA HB2 H -7.608 4.693 6.025 1.00 . A A . 40 ALA HB2 1 1
1 112 1 1 9 ALA HB3 H -8.771 5.492 4.966 1.00 . A A . 40 ALA HB3 1 1
1 113 1 1 9 ALA N N -6.430 5.489 3.135 1.00 . A A . 40 ALA N 1 1
1 114 1 1 9 ALA O O -9.141 3.146 3.595 1.00 . A A . 40 ALA O 1 1
1 115 1 1 10 GLY C C -9.024 2.822 -0.018 1.00 . A A . 41 GLY C 1 1
1 116 1 1 10 GLY CA C -9.548 3.820 1.021 1.00 . A A . 41 GLY CA 1 1
1 117 1 1 10 GLY H H -7.790 4.959 1.520 1.00 . A A . 41 GLY H 1 1
1 118 1 1 10 GLY HA2 H -10.286 3.334 1.643 1.00 . A A . 41 GLY HA2 1 1
1 119 1 1 10 GLY HA3 H -10.007 4.654 0.510 1.00 . A A . 41 GLY HA3 1 1
1 120 1 1 10 GLY N N -8.439 4.321 1.878 1.00 . A A . 41 GLY N 1 1
1 121 1 1 10 GLY O O -9.796 2.187 -0.709 1.00 . A A . 41 GLY O 1 1
1 122 1 1 11 CYS C C -7.920 0.374 -1.018 1.00 . A A . 42 CYS C 1 1
1 123 1 1 11 CYS CA C -7.213 1.711 -1.146 1.00 . A A . 42 CYS CA 1 1
1 124 1 1 11 CYS CB C -5.748 1.538 -0.798 1.00 . A A . 42 CYS CB 1 1
1 125 1 1 11 CYS H H -7.102 3.170 0.397 1.00 . A A . 42 CYS H 1 1
1 126 1 1 11 CYS HA H -7.313 2.108 -2.141 1.00 . A A . 42 CYS HA 1 1
1 127 1 1 11 CYS HB2 H -5.361 2.447 -0.379 1.00 . A A . 42 CYS HB2 1 1
1 128 1 1 11 CYS HB3 H -5.644 0.741 -0.085 1.00 . A A . 42 CYS HB3 1 1
1 129 1 1 11 CYS HG H -3.906 1.143 -2.088 1.00 . A A . 42 CYS HG 1 1
1 130 1 1 11 CYS N N -7.731 2.666 -0.149 1.00 . A A . 42 CYS N 1 1
1 131 1 1 11 CYS O O -7.676 -0.378 -0.096 1.00 . A A . 42 CYS O 1 1
1 132 1 1 11 CYS SG S -4.843 1.122 -2.293 1.00 . A A . 42 CYS SG 1 1
1 133 1 1 12 GLU C C -8.465 -2.348 -2.255 1.00 . A A . 43 GLU C 1 1
1 134 1 1 12 GLU CA C -9.445 -1.263 -1.846 1.00 . A A . 43 GLU CA 1 1
1 135 1 1 12 GLU CB C -10.613 -1.184 -2.813 1.00 . A A . 43 GLU CB 1 1
1 136 1 1 12 GLU CD C -13.047 -1.668 -2.535 1.00 . A A . 43 GLU CD 1 1
1 137 1 1 12 GLU CG C -11.884 -0.799 -2.055 1.00 . A A . 43 GLU CG 1 1
1 138 1 1 12 GLU H H -8.947 0.649 -2.691 1.00 . A A . 43 GLU H 1 1
1 139 1 1 12 GLU HA H -9.772 -1.428 -0.841 1.00 . A A . 43 GLU HA 1 1
1 140 1 1 12 GLU HB2 H -10.396 -0.438 -3.565 1.00 . A A . 43 GLU HB2 1 1
1 141 1 1 12 GLU HB3 H -10.749 -2.143 -3.286 1.00 . A A . 43 GLU HB3 1 1
1 142 1 1 12 GLU HG2 H -11.730 -0.951 -0.996 1.00 . A A . 43 GLU HG2 1 1
1 143 1 1 12 GLU HG3 H -12.112 0.240 -2.240 1.00 . A A . 43 GLU HG3 1 1
1 144 1 1 12 GLU N N -8.771 0.048 -1.938 1.00 . A A . 43 GLU N 1 1
1 145 1 1 12 GLU O O -8.705 -3.529 -2.104 1.00 . A A . 43 GLU O 1 1
1 146 1 1 12 GLU OE1 O -13.035 -2.049 -3.694 1.00 . A A . 43 GLU OE1 1 1
1 147 1 1 12 GLU OE2 O -13.928 -1.937 -1.736 1.00 . A A . 43 GLU OE2 1 1
1 148 1 1 13 LYS C C -5.704 -3.412 -1.792 1.00 . A A . 44 LYS C 1 1
1 149 1 1 13 LYS CA C -6.279 -2.893 -3.077 1.00 . A A . 44 LYS CA 1 1
1 150 1 1 13 LYS CB C -5.232 -2.033 -3.749 1.00 . A A . 44 LYS CB 1 1
1 151 1 1 13 LYS CD C -6.187 -2.773 -5.901 1.00 . A A . 44 LYS CD 1 1
1 152 1 1 13 LYS CE C -5.028 -3.763 -6.046 1.00 . A A . 44 LYS CE 1 1
1 153 1 1 13 LYS CG C -5.738 -1.564 -5.102 1.00 . A A . 44 LYS CG 1 1
1 154 1 1 13 LYS H H -7.158 -0.977 -2.773 1.00 . A A . 44 LYS H 1 1
1 155 1 1 13 LYS HA H -6.630 -3.677 -3.714 1.00 . A A . 44 LYS HA 1 1
1 156 1 1 13 LYS HB2 H -5.038 -1.179 -3.119 1.00 . A A . 44 LYS HB2 1 1
1 157 1 1 13 LYS HB3 H -4.330 -2.601 -3.870 1.00 . A A . 44 LYS HB3 1 1
1 158 1 1 13 LYS HD2 H -7.005 -3.250 -5.386 1.00 . A A . 44 LYS HD2 1 1
1 159 1 1 13 LYS HD3 H -6.506 -2.452 -6.871 1.00 . A A . 44 LYS HD3 1 1
1 160 1 1 13 LYS HE2 H -4.288 -3.377 -6.733 1.00 . A A . 44 LYS HE2 1 1
1 161 1 1 13 LYS HE3 H -4.582 -3.968 -5.086 1.00 . A A . 44 LYS HE3 1 1
1 162 1 1 13 LYS HG2 H -6.569 -0.890 -4.963 1.00 . A A . 44 LYS HG2 1 1
1 163 1 1 13 LYS HG3 H -4.955 -1.057 -5.630 1.00 . A A . 44 LYS HG3 1 1
1 164 1 1 13 LYS HZ1 H -6.401 -4.745 -7.262 1.00 . A A . 44 LYS HZ1 1 1
1 165 1 1 13 LYS HZ2 H -6.055 -5.558 -5.811 1.00 . A A . 44 LYS HZ2 1 1
1 166 1 1 13 LYS HZ3 H -4.928 -5.565 -7.082 1.00 . A A . 44 LYS HZ3 1 1
1 167 1 1 13 LYS N N -7.336 -1.935 -2.715 1.00 . A A . 44 LYS N 1 1
1 168 1 1 13 LYS NZ N -5.650 -5.001 -6.591 1.00 . A A . 44 LYS NZ 1 1
1 169 1 1 13 LYS O O -5.167 -4.490 -1.696 1.00 . A A . 44 LYS O 1 1
1 170 1 1 14 CYS C C -6.435 -3.321 1.444 1.00 . A A . 45 CYS C 1 1
1 171 1 1 14 CYS CA C -5.293 -2.948 0.528 1.00 . A A . 45 CYS CA 1 1
1 172 1 1 14 CYS CB C -4.656 -1.654 0.979 1.00 . A A . 45 CYS CB 1 1
1 173 1 1 14 CYS H H -6.291 -1.735 -0.952 1.00 . A A . 45 CYS H 1 1
1 174 1 1 14 CYS HA H -4.565 -3.735 0.465 1.00 . A A . 45 CYS HA 1 1
1 175 1 1 14 CYS HB2 H -5.230 -0.831 0.583 1.00 . A A . 45 CYS HB2 1 1
1 176 1 1 14 CYS HB3 H -4.661 -1.608 2.054 1.00 . A A . 45 CYS HB3 1 1
1 177 1 1 14 CYS HG H -2.731 -2.428 -0.005 1.00 . A A . 45 CYS HG 1 1
1 178 1 1 14 CYS N N -5.827 -2.603 -0.807 1.00 . A A . 45 CYS N 1 1
1 179 1 1 14 CYS O O -6.258 -3.723 2.577 1.00 . A A . 45 CYS O 1 1
1 180 1 1 14 CYS SG S -2.956 -1.569 0.360 1.00 . A A . 45 CYS SG 1 1
1 181 1 1 15 ALA C C -8.900 -4.968 2.034 1.00 . A A . 46 ALA C 1 1
1 182 1 1 15 ALA CA C -8.814 -3.474 1.716 1.00 . A A . 46 ALA CA 1 1
1 183 1 1 15 ALA CB C -9.901 -3.039 0.763 1.00 . A A . 46 ALA CB 1 1
1 184 1 1 15 ALA H H -7.704 -2.831 0.030 1.00 . A A . 46 ALA H 1 1
1 185 1 1 15 ALA HA H -8.847 -2.886 2.609 1.00 . A A . 46 ALA HA 1 1
1 186 1 1 15 ALA HB1 H -9.554 -3.192 -0.251 1.00 . A A . 46 ALA HB1 1 1
1 187 1 1 15 ALA HB2 H -10.102 -1.988 0.912 1.00 . A A . 46 ALA HB2 1 1
1 188 1 1 15 ALA HB3 H -10.787 -3.615 0.932 1.00 . A A . 46 ALA HB3 1 1
1 189 1 1 15 ALA N N -7.608 -3.168 0.942 1.00 . A A . 46 ALA N 1 1
1 190 1 1 15 ALA O O -9.761 -5.407 2.771 1.00 . A A . 46 ALA O 1 1
1 191 1 1 16 LYS C C -7.010 -7.533 2.837 1.00 . A A . 47 LYS C 1 1
1 192 1 1 16 LYS CA C -8.031 -7.201 1.764 1.00 . A A . 47 LYS CA 1 1
1 193 1 1 16 LYS CB C -7.651 -7.861 0.440 1.00 . A A . 47 LYS CB 1 1
1 194 1 1 16 LYS CD C -7.953 -10.239 1.139 1.00 . A A . 47 LYS CD 1 1
1 195 1 1 16 LYS CE C -8.895 -11.442 1.080 1.00 . A A . 47 LYS CE 1 1
1 196 1 1 16 LYS CG C -8.488 -9.125 0.238 1.00 . A A . 47 LYS CG 1 1
1 197 1 1 16 LYS H H -7.330 -5.382 0.913 1.00 . A A . 47 LYS H 1 1
1 198 1 1 16 LYS HA H -8.997 -7.498 2.063 1.00 . A A . 47 LYS HA 1 1
1 199 1 1 16 LYS HB2 H -7.834 -7.170 -0.370 1.00 . A A . 47 LYS HB2 1 1
1 200 1 1 16 LYS HB3 H -6.604 -8.124 0.460 1.00 . A A . 47 LYS HB3 1 1
1 201 1 1 16 LYS HD2 H -6.969 -10.533 0.802 1.00 . A A . 47 LYS HD2 1 1
1 202 1 1 16 LYS HD3 H -7.893 -9.881 2.156 1.00 . A A . 47 LYS HD3 1 1
1 203 1 1 16 LYS HE2 H -9.188 -11.640 0.058 1.00 . A A . 47 LYS HE2 1 1
1 204 1 1 16 LYS HE3 H -8.423 -12.311 1.512 1.00 . A A . 47 LYS HE3 1 1
1 205 1 1 16 LYS HG2 H -9.518 -8.918 0.491 1.00 . A A . 47 LYS HG2 1 1
1 206 1 1 16 LYS HG3 H -8.426 -9.437 -0.794 1.00 . A A . 47 LYS HG3 1 1
1 207 1 1 16 LYS HZ1 H -9.779 -10.880 2.878 1.00 . A A . 47 LYS HZ1 1 1
1 208 1 1 16 LYS HZ2 H -10.786 -11.805 1.869 1.00 . A A . 47 LYS HZ2 1 1
1 209 1 1 16 LYS HZ3 H -10.487 -10.172 1.508 1.00 . A A . 47 LYS HZ3 1 1
1 210 1 1 16 LYS N N -8.011 -5.749 1.492 1.00 . A A . 47 LYS N 1 1
1 211 1 1 16 LYS NZ N -10.076 -11.045 1.895 1.00 . A A . 47 LYS NZ 1 1
1 212 1 1 16 LYS O O -7.263 -8.283 3.759 1.00 . A A . 47 LYS O 1 1
1 213 1 1 17 ASP C C -3.541 -6.429 3.276 1.00 . A A . 48 ASP C 1 1
1 214 1 1 17 ASP CA C -4.783 -7.199 3.698 1.00 . A A . 48 ASP CA 1 1
1 215 1 1 17 ASP CB C -4.533 -8.704 3.663 1.00 . A A . 48 ASP CB 1 1
1 216 1 1 17 ASP CG C -3.338 -9.046 4.555 1.00 . A A . 48 ASP CG 1 1
1 217 1 1 17 ASP H H -5.709 -6.364 1.961 1.00 . A A . 48 ASP H 1 1
1 218 1 1 17 ASP HA H -5.101 -6.890 4.673 1.00 . A A . 48 ASP HA 1 1
1 219 1 1 17 ASP HB2 H -5.411 -9.222 4.019 1.00 . A A . 48 ASP HB2 1 1
1 220 1 1 17 ASP HB3 H -4.322 -9.007 2.648 1.00 . A A . 48 ASP HB3 1 1
1 221 1 1 17 ASP N N -5.861 -6.962 2.712 1.00 . A A . 48 ASP N 1 1
1 222 1 1 17 ASP O O -2.430 -6.917 3.352 1.00 . A A . 48 ASP O 1 1
1 223 1 1 17 ASP OD1 O -2.907 -8.176 5.294 1.00 . A A . 48 ASP OD1 1 1
1 224 1 1 17 ASP OD2 O -2.873 -10.172 4.484 1.00 . A A . 48 ASP OD2 1 1
1 225 1 1 18 CYS C C -1.774 -5.190 1.325 1.00 . A A . 49 CYS C 1 1
1 226 1 1 18 CYS CA C -2.562 -4.411 2.379 1.00 . A A . 49 CYS CA 1 1
1 227 1 1 18 CYS CB C -1.732 -4.197 3.644 1.00 . A A . 49 CYS CB 1 1
1 228 1 1 18 CYS H H -4.643 -4.867 2.768 1.00 . A A . 49 CYS H 1 1
1 229 1 1 18 CYS HA H -2.887 -3.465 1.981 1.00 . A A . 49 CYS HA 1 1
1 230 1 1 18 CYS HB2 H -2.390 -3.969 4.470 1.00 . A A . 49 CYS HB2 1 1
1 231 1 1 18 CYS HB3 H -1.178 -5.096 3.864 1.00 . A A . 49 CYS HB3 1 1
1 232 1 1 18 CYS HG H -0.128 -2.960 2.561 1.00 . A A . 49 CYS HG 1 1
1 233 1 1 18 CYS N N -3.729 -5.227 2.823 1.00 . A A . 49 CYS N 1 1
1 234 1 1 18 CYS O O -0.857 -5.926 1.632 1.00 . A A . 49 CYS O 1 1
1 235 1 1 18 CYS SG S -0.581 -2.822 3.397 1.00 . A A . 49 CYS SG 1 1
1 236 1 1 19 VAL C C 0.038 -5.453 -1.029 1.00 . A A . 50 VAL C 1 1
1 237 1 1 19 VAL CA C -1.456 -5.782 -1.003 1.00 . A A . 50 VAL CA 1 1
1 238 1 1 19 VAL CB C -2.137 -5.335 -2.301 1.00 . A A . 50 VAL CB 1 1
1 239 1 1 19 VAL CG1 C -3.438 -6.113 -2.495 1.00 . A A . 50 VAL CG1 1 1
1 240 1 1 19 VAL CG2 C -2.450 -3.833 -2.279 1.00 . A A . 50 VAL CG2 1 1
1 241 1 1 19 VAL H H -2.894 -4.463 -0.127 1.00 . A A . 50 VAL H 1 1
1 242 1 1 19 VAL HA H -1.595 -6.843 -0.872 1.00 . A A . 50 VAL HA 1 1
1 243 1 1 19 VAL HB H -1.482 -5.544 -3.120 1.00 . A A . 50 VAL HB 1 1
1 244 1 1 19 VAL HG11 H -3.923 -6.245 -1.539 1.00 . A A . 50 VAL HG11 1 1
1 245 1 1 19 VAL HG12 H -3.222 -7.077 -2.927 1.00 . A A . 50 VAL HG12 1 1
1 246 1 1 19 VAL HG13 H -4.091 -5.559 -3.155 1.00 . A A . 50 VAL HG13 1 1
1 247 1 1 19 VAL HG21 H -2.711 -3.520 -3.276 1.00 . A A . 50 VAL HG21 1 1
1 248 1 1 19 VAL HG22 H -1.583 -3.283 -1.943 1.00 . A A . 50 VAL HG22 1 1
1 249 1 1 19 VAL HG23 H -3.279 -3.637 -1.618 1.00 . A A . 50 VAL HG23 1 1
1 250 1 1 19 VAL N N -2.147 -5.045 0.085 1.00 . A A . 50 VAL N 1 1
1 251 1 1 19 VAL O O 0.836 -6.216 -1.537 1.00 . A A . 50 VAL O 1 1
1 252 1 1 20 CYS C C 2.505 -4.314 0.888 1.00 . A A . 51 CYS C 1 1
1 253 1 1 20 CYS CA C 1.892 -4.012 -0.482 1.00 . A A . 51 CYS CA 1 1
1 254 1 1 20 CYS CB C 2.085 -2.513 -0.825 1.00 . A A . 51 CYS CB 1 1
1 255 1 1 20 CYS H H -0.212 -3.743 -0.065 1.00 . A A . 51 CYS H 1 1
1 256 1 1 20 CYS HA H 2.372 -4.609 -1.227 1.00 . A A . 51 CYS HA 1 1
1 257 1 1 20 CYS HB2 H 2.575 -2.026 0.003 1.00 . A A . 51 CYS HB2 1 1
1 258 1 1 20 CYS HB3 H 2.716 -2.435 -1.698 1.00 . A A . 51 CYS HB3 1 1
1 259 1 1 20 CYS HG H 0.499 -1.422 -2.077 1.00 . A A . 51 CYS HG 1 1
1 260 1 1 20 CYS N N 0.434 -4.339 -0.480 1.00 . A A . 51 CYS N 1 1
1 261 1 1 20 CYS O O 3.611 -3.908 1.182 1.00 . A A . 51 CYS O 1 1
1 262 1 1 20 CYS SG S 0.519 -1.666 -1.149 1.00 . A A . 51 CYS SG 1 1
1 263 1 1 21 LYS C C 3.822 -5.744 2.969 1.00 . A A . 52 LYS C 1 1
1 264 1 1 21 LYS CA C 2.353 -5.352 3.071 1.00 . A A . 52 LYS CA 1 1
1 265 1 1 21 LYS CB C 1.519 -6.534 3.551 1.00 . A A . 52 LYS CB 1 1
1 266 1 1 21 LYS CD C 1.529 -6.401 6.033 1.00 . A A . 52 LYS CD 1 1
1 267 1 1 21 LYS CE C 0.767 -5.908 7.265 1.00 . A A . 52 LYS CE 1 1
1 268 1 1 21 LYS CG C 0.714 -6.111 4.773 1.00 . A A . 52 LYS CG 1 1
1 269 1 1 21 LYS H H 0.910 -5.346 1.476 1.00 . A A . 52 LYS H 1 1
1 270 1 1 21 LYS HA H 2.235 -4.524 3.735 1.00 . A A . 52 LYS HA 1 1
1 271 1 1 21 LYS HB2 H 0.847 -6.845 2.765 1.00 . A A . 52 LYS HB2 1 1
1 272 1 1 21 LYS HB3 H 2.171 -7.352 3.817 1.00 . A A . 52 LYS HB3 1 1
1 273 1 1 21 LYS HD2 H 1.697 -7.466 6.113 1.00 . A A . 52 LYS HD2 1 1
1 274 1 1 21 LYS HD3 H 2.479 -5.891 5.971 1.00 . A A . 52 LYS HD3 1 1
1 275 1 1 21 LYS HE2 H 0.293 -4.959 7.057 1.00 . A A . 52 LYS HE2 1 1
1 276 1 1 21 LYS HE3 H 0.034 -6.638 7.571 1.00 . A A . 52 LYS HE3 1 1
1 277 1 1 21 LYS HG2 H 0.502 -5.053 4.711 1.00 . A A . 52 LYS HG2 1 1
1 278 1 1 21 LYS HG3 H -0.210 -6.665 4.803 1.00 . A A . 52 LYS HG3 1 1
1 279 1 1 21 LYS HZ1 H 1.440 -5.145 9.081 1.00 . A A . 52 LYS HZ1 1 1
1 280 1 1 21 LYS HZ2 H 2.657 -5.320 7.910 1.00 . A A . 52 LYS HZ2 1 1
1 281 1 1 21 LYS HZ3 H 2.045 -6.686 8.713 1.00 . A A . 52 LYS HZ3 1 1
1 282 1 1 21 LYS N N 1.802 -5.025 1.727 1.00 . A A . 52 LYS N 1 1
1 283 1 1 21 LYS NZ N 1.805 -5.753 8.322 1.00 . A A . 52 LYS NZ 1 1
1 284 1 1 21 LYS O O 4.613 -5.491 3.855 1.00 . A A . 52 LYS O 1 1
1 285 1 1 22 GLY C C 6.516 -5.567 1.801 1.00 . A A . 53 GLY C 1 1
1 286 1 1 22 GLY CA C 5.599 -6.786 1.710 1.00 . A A . 53 GLY CA 1 1
1 287 1 1 22 GLY H H 3.518 -6.549 1.203 1.00 . A A . 53 GLY H 1 1
1 288 1 1 22 GLY HA2 H 5.863 -7.495 2.482 1.00 . A A . 53 GLY HA2 1 1
1 289 1 1 22 GLY HA3 H 5.714 -7.247 0.741 1.00 . A A . 53 GLY HA3 1 1
1 290 1 1 22 GLY N N 4.183 -6.362 1.893 1.00 . A A . 53 GLY N 1 1
1 291 1 1 22 GLY O O 6.614 -4.784 0.877 1.00 . A A . 53 GLY O 1 1
1 292 1 1 23 GLU C C 9.477 -4.571 2.464 1.00 . A A . 54 GLU C 1 1
1 293 1 1 23 GLU CA C 8.106 -4.231 3.042 1.00 . A A . 54 GLU CA 1 1
1 294 1 1 23 GLU CB C 8.194 -3.967 4.543 1.00 . A A . 54 GLU CB 1 1
1 295 1 1 23 GLU CD C 7.627 -1.826 5.702 1.00 . A A . 54 GLU CD 1 1
1 296 1 1 23 GLU CG C 7.057 -3.033 4.954 1.00 . A A . 54 GLU CG 1 1
1 297 1 1 23 GLU H H 7.104 -6.043 3.638 1.00 . A A . 54 GLU H 1 1
1 298 1 1 23 GLU HA H 7.692 -3.374 2.538 1.00 . A A . 54 GLU HA 1 1
1 299 1 1 23 GLU HB2 H 8.108 -4.901 5.079 1.00 . A A . 54 GLU HB2 1 1
1 300 1 1 23 GLU HB3 H 9.141 -3.503 4.774 1.00 . A A . 54 GLU HB3 1 1
1 301 1 1 23 GLU HG2 H 6.535 -2.695 4.070 1.00 . A A . 54 GLU HG2 1 1
1 302 1 1 23 GLU HG3 H 6.372 -3.563 5.596 1.00 . A A . 54 GLU HG3 1 1
1 303 1 1 23 GLU N N 7.193 -5.400 2.904 1.00 . A A . 54 GLU N 1 1
1 304 1 1 23 GLU O O 10.505 -4.301 3.053 1.00 . A A . 54 GLU O 1 1
1 305 1 1 23 GLU OE1 O 8.575 -1.239 5.205 1.00 . A A . 54 GLU OE1 1 1
1 306 1 1 23 GLU OE2 O 7.106 -1.509 6.758 1.00 . A A . 54 GLU OE2 1 1
1 307 1 1 24 GLU C C 11.187 -4.423 -0.319 1.00 . A A . 55 GLU C 1 1
1 308 1 1 24 GLU CA C 10.768 -5.529 0.652 1.00 . A A . 55 GLU CA 1 1
1 309 1 1 24 GLU CB C 10.436 -6.819 -0.090 1.00 . A A . 55 GLU CB 1 1
1 310 1 1 24 GLU CD C 11.264 -8.550 1.510 1.00 . A A . 55 GLU CD 1 1
1 311 1 1 24 GLU CG C 10.019 -7.891 0.915 1.00 . A A . 55 GLU CG 1 1
1 312 1 1 24 GLU H H 8.644 -5.360 0.857 1.00 . A A . 55 GLU H 1 1
1 313 1 1 24 GLU HA H 11.536 -5.707 1.380 1.00 . A A . 55 GLU HA 1 1
1 314 1 1 24 GLU HB2 H 9.619 -6.634 -0.773 1.00 . A A . 55 GLU HB2 1 1
1 315 1 1 24 GLU HB3 H 11.299 -7.154 -0.637 1.00 . A A . 55 GLU HB3 1 1
1 316 1 1 24 GLU HG2 H 9.439 -7.435 1.705 1.00 . A A . 55 GLU HG2 1 1
1 317 1 1 24 GLU HG3 H 9.421 -8.637 0.414 1.00 . A A . 55 GLU HG3 1 1
1 318 1 1 24 GLU N N 9.488 -5.160 1.306 1.00 . A A . 55 GLU N 1 1
1 319 1 1 24 GLU O O 11.725 -3.408 0.076 1.00 . A A . 55 GLU O 1 1
1 320 1 1 24 GLU OE1 O 12.346 -8.027 1.297 1.00 . A A . 55 GLU OE1 1 1
1 321 1 1 24 GLU OE2 O 11.116 -9.567 2.167 1.00 . A A . 55 GLU OE2 1 1
1 322 1 1 25 GLY C C 10.074 -2.653 -2.802 1.00 . A A . 56 GLY C 1 1
1 323 1 1 25 GLY CA C 11.287 -3.555 -2.574 1.00 . A A . 56 GLY CA 1 1
1 324 1 1 25 GLY H H 10.481 -5.419 -1.877 1.00 . A A . 56 GLY H 1 1
1 325 1 1 25 GLY HA2 H 12.111 -2.967 -2.196 1.00 . A A . 56 GLY HA2 1 1
1 326 1 1 25 GLY HA3 H 11.568 -4.018 -3.507 1.00 . A A . 56 GLY HA3 1 1
1 327 1 1 25 GLY N N 10.927 -4.602 -1.582 1.00 . A A . 56 GLY N 1 1
1 328 1 1 25 GLY O O 10.145 -1.660 -3.499 1.00 . A A . 56 GLY O 1 1
1 329 1 1 26 ALA C C 7.666 -1.079 -1.344 1.00 . A A . 57 ALA C 1 1
1 330 1 1 26 ALA CA C 7.731 -2.178 -2.394 1.00 . A A . 57 ALA CA 1 1
1 331 1 1 26 ALA CB C 6.596 -3.151 -2.194 1.00 . A A . 57 ALA CB 1 1
1 332 1 1 26 ALA H H 8.918 -3.800 -1.671 1.00 . A A . 57 ALA H 1 1
1 333 1 1 26 ALA HA H 7.702 -1.768 -3.377 1.00 . A A . 57 ALA HA 1 1
1 334 1 1 26 ALA HB1 H 5.780 -2.644 -1.706 1.00 . A A . 57 ALA HB1 1 1
1 335 1 1 26 ALA HB2 H 6.940 -3.968 -1.577 1.00 . A A . 57 ALA HB2 1 1
1 336 1 1 26 ALA HB3 H 6.277 -3.525 -3.151 1.00 . A A . 57 ALA HB3 1 1
1 337 1 1 26 ALA N N 8.955 -2.998 -2.219 1.00 . A A . 57 ALA N 1 1
1 338 1 1 26 ALA O O 6.626 -0.772 -0.795 1.00 . A A . 57 ALA O 1 1
1 339 1 1 27 LYS C C 7.629 1.502 -0.148 1.00 . A A . 58 LYS C 1 1
1 340 1 1 27 LYS CA C 8.856 0.587 -0.064 1.00 . A A . 58 LYS CA 1 1
1 341 1 1 27 LYS CB C 10.121 1.345 -0.443 1.00 . A A . 58 LYS CB 1 1
1 342 1 1 27 LYS CD C 11.768 -0.500 -0.771 1.00 . A A . 58 LYS CD 1 1
1 343 1 1 27 LYS CE C 13.289 -0.654 -0.707 1.00 . A A . 58 LYS CE 1 1
1 344 1 1 27 LYS CG C 11.330 0.633 0.157 1.00 . A A . 58 LYS CG 1 1
1 345 1 1 27 LYS H H 9.577 -0.787 -1.537 1.00 . A A . 58 LYS H 1 1
1 346 1 1 27 LYS HA H 8.958 0.177 0.927 1.00 . A A . 58 LYS HA 1 1
1 347 1 1 27 LYS HB2 H 10.213 1.368 -1.521 1.00 . A A . 58 LYS HB2 1 1
1 348 1 1 27 LYS HB3 H 10.068 2.351 -0.061 1.00 . A A . 58 LYS HB3 1 1
1 349 1 1 27 LYS HD2 H 11.297 -1.421 -0.458 1.00 . A A . 58 LYS HD2 1 1
1 350 1 1 27 LYS HD3 H 11.472 -0.270 -1.783 1.00 . A A . 58 LYS HD3 1 1
1 351 1 1 27 LYS HE2 H 13.676 -0.957 -1.670 1.00 . A A . 58 LYS HE2 1 1
1 352 1 1 27 LYS HE3 H 13.748 0.270 -0.389 1.00 . A A . 58 LYS HE3 1 1
1 353 1 1 27 LYS HG2 H 12.140 1.335 0.274 1.00 . A A . 58 LYS HG2 1 1
1 354 1 1 27 LYS HG3 H 11.063 0.222 1.118 1.00 . A A . 58 LYS HG3 1 1
1 355 1 1 27 LYS HZ1 H 13.441 -1.310 1.262 1.00 . A A . 58 LYS HZ1 1 1
1 356 1 1 27 LYS HZ2 H 14.480 -2.111 0.183 1.00 . A A . 58 LYS HZ2 1 1
1 357 1 1 27 LYS HZ3 H 12.819 -2.470 0.193 1.00 . A A . 58 LYS HZ3 1 1
1 358 1 1 27 LYS N N 8.778 -0.500 -1.072 1.00 . A A . 58 LYS N 1 1
1 359 1 1 27 LYS NZ N 13.525 -1.716 0.309 1.00 . A A . 58 LYS NZ 1 1
1 360 1 1 27 LYS O O 7.235 1.933 -1.214 1.00 . A A . 58 LYS O 1 1
1 361 1 1 28 ALA C C 6.271 4.152 0.986 1.00 . A A . 59 ALA C 1 1
1 362 1 1 28 ALA CA C 5.831 2.694 0.962 1.00 . A A . 59 ALA CA 1 1
1 363 1 1 28 ALA CB C 5.066 2.345 2.236 1.00 . A A . 59 ALA CB 1 1
1 364 1 1 28 ALA H H 7.366 1.446 1.820 1.00 . A A . 59 ALA H 1 1
1 365 1 1 28 ALA HA H 5.228 2.500 0.101 1.00 . A A . 59 ALA HA 1 1
1 366 1 1 28 ALA HB1 H 5.437 2.946 3.053 1.00 . A A . 59 ALA HB1 1 1
1 367 1 1 28 ALA HB2 H 5.206 1.299 2.464 1.00 . A A . 59 ALA HB2 1 1
1 368 1 1 28 ALA HB3 H 4.016 2.546 2.090 1.00 . A A . 59 ALA HB3 1 1
1 369 1 1 28 ALA N N 7.028 1.803 0.972 1.00 . A A . 59 ALA N 1 1
1 370 1 1 28 ALA O O 5.660 5.013 0.385 1.00 . A A . 59 ALA O 1 1
1 371 1 1 29 GLU C C 7.759 6.462 0.392 1.00 . A A . 60 GLU C 1 1
1 372 1 1 29 GLU CA C 7.872 5.806 1.747 1.00 . A A . 60 GLU CA 1 1
1 373 1 1 29 GLU CB C 9.322 5.612 2.121 1.00 . A A . 60 GLU CB 1 1
1 374 1 1 29 GLU CD C 11.384 4.363 1.485 1.00 . A A . 60 GLU CD 1 1
1 375 1 1 29 GLU CG C 9.988 4.791 1.031 1.00 . A A . 60 GLU CG 1 1
1 376 1 1 29 GLU H H 7.806 3.695 2.123 1.00 . A A . 60 GLU H 1 1
1 377 1 1 29 GLU HA H 7.361 6.370 2.482 1.00 . A A . 60 GLU HA 1 1
1 378 1 1 29 GLU HB2 H 9.804 6.569 2.201 1.00 . A A . 60 GLU HB2 1 1
1 379 1 1 29 GLU HB3 H 9.383 5.080 3.054 1.00 . A A . 60 GLU HB3 1 1
1 380 1 1 29 GLU HG2 H 9.384 3.918 0.833 1.00 . A A . 60 GLU HG2 1 1
1 381 1 1 29 GLU HG3 H 10.065 5.389 0.138 1.00 . A A . 60 GLU HG3 1 1
1 382 1 1 29 GLU N N 7.340 4.419 1.669 1.00 . A A . 60 GLU N 1 1
1 383 1 1 29 GLU O O 7.518 7.644 0.257 1.00 . A A . 60 GLU O 1 1
1 384 1 1 29 GLU OE1 O 11.474 3.397 2.226 1.00 . A A . 60 GLU OE1 1 1
1 385 1 1 29 GLU OE2 O 12.339 5.009 1.088 1.00 . A A . 60 GLU OE2 1 1
1 386 1 1 30 ALA C C 6.678 7.183 -2.129 1.00 . A A . 61 ALA C 1 1
1 387 1 1 30 ALA CA C 7.802 6.153 -2.006 1.00 . A A . 61 ALA CA 1 1
1 388 1 1 30 ALA CB C 7.422 4.911 -2.799 1.00 . A A . 61 ALA CB 1 1
1 389 1 1 30 ALA H H 8.098 4.724 -0.420 1.00 . A A . 61 ALA H 1 1
1 390 1 1 30 ALA HA H 8.738 6.550 -2.356 1.00 . A A . 61 ALA HA 1 1
1 391 1 1 30 ALA HB1 H 8.308 4.347 -3.035 1.00 . A A . 61 ALA HB1 1 1
1 392 1 1 30 ALA HB2 H 6.924 5.208 -3.710 1.00 . A A . 61 ALA HB2 1 1
1 393 1 1 30 ALA HB3 H 6.751 4.303 -2.207 1.00 . A A . 61 ALA HB3 1 1
1 394 1 1 30 ALA N N 7.914 5.667 -0.604 1.00 . A A . 61 ALA N 1 1
1 395 1 1 30 ALA O O 6.683 8.002 -3.021 1.00 . A A . 61 ALA O 1 1
1 396 1 1 31 GLU C C 3.420 7.390 -2.088 1.00 . A A . 62 GLU C 1 1
1 397 1 1 31 GLU CA C 4.515 7.994 -1.235 1.00 . A A . 62 GLU CA 1 1
1 398 1 1 31 GLU CB C 4.963 9.331 -1.779 1.00 . A A . 62 GLU CB 1 1
1 399 1 1 31 GLU CD C 6.193 11.304 -0.859 1.00 . A A . 62 GLU CD 1 1
1 400 1 1 31 GLU CG C 6.234 9.787 -1.058 1.00 . A A . 62 GLU CG 1 1
1 401 1 1 31 GLU H H 5.751 6.401 -0.582 1.00 . A A . 62 GLU H 1 1
1 402 1 1 31 GLU HA H 4.156 8.102 -0.240 1.00 . A A . 62 GLU HA 1 1
1 403 1 1 31 GLU HB2 H 5.154 9.231 -2.833 1.00 . A A . 62 GLU HB2 1 1
1 404 1 1 31 GLU HB3 H 4.184 10.044 -1.616 1.00 . A A . 62 GLU HB3 1 1
1 405 1 1 31 GLU HG2 H 6.294 9.300 -0.096 1.00 . A A . 62 GLU HG2 1 1
1 406 1 1 31 GLU HG3 H 7.098 9.527 -1.649 1.00 . A A . 62 GLU HG3 1 1
1 407 1 1 31 GLU N N 5.707 7.094 -1.243 1.00 . A A . 62 GLU N 1 1
1 408 1 1 31 GLU O O 2.253 7.698 -1.949 1.00 . A A . 62 GLU O 1 1
1 409 1 1 31 GLU OE1 O 5.185 11.791 -0.372 1.00 . A A . 62 GLU OE1 1 1
1 410 1 1 31 GLU OE2 O 7.170 11.952 -1.195 1.00 . A A . 62 GLU OE2 1 1
1 411 1 1 32 LYS C C 3.448 4.549 -4.346 1.00 . A A . 63 LYS C 1 1
1 412 1 1 32 LYS CA C 2.834 5.850 -3.837 1.00 . A A . 63 LYS CA 1 1
1 413 1 1 32 LYS CB C 2.589 6.845 -4.935 1.00 . A A . 63 LYS CB 1 1
1 414 1 1 32 LYS CD C 4.281 6.042 -6.461 1.00 . A A . 63 LYS CD 1 1
1 415 1 1 32 LYS CE C 4.685 6.580 -7.836 1.00 . A A . 63 LYS CE 1 1
1 416 1 1 32 LYS CG C 3.915 7.183 -5.537 1.00 . A A . 63 LYS CG 1 1
1 417 1 1 32 LYS H H 4.740 6.312 -3.045 1.00 . A A . 63 LYS H 1 1
1 418 1 1 32 LYS HA H 1.940 5.658 -3.343 1.00 . A A . 63 LYS HA 1 1
1 419 1 1 32 LYS HB2 H 1.943 6.409 -5.681 1.00 . A A . 63 LYS HB2 1 1
1 420 1 1 32 LYS HB3 H 2.140 7.734 -4.524 1.00 . A A . 63 LYS HB3 1 1
1 421 1 1 32 LYS HD2 H 5.094 5.490 -6.021 1.00 . A A . 63 LYS HD2 1 1
1 422 1 1 32 LYS HD3 H 3.417 5.390 -6.557 1.00 . A A . 63 LYS HD3 1 1
1 423 1 1 32 LYS HE2 H 3.970 6.268 -8.585 1.00 . A A . 63 LYS HE2 1 1
1 424 1 1 32 LYS HE3 H 4.761 7.655 -7.811 1.00 . A A . 63 LYS HE3 1 1
1 425 1 1 32 LYS HG2 H 3.840 8.106 -6.073 1.00 . A A . 63 LYS HG2 1 1
1 426 1 1 32 LYS HG3 H 4.652 7.263 -4.750 1.00 . A A . 63 LYS HG3 1 1
1 427 1 1 32 LYS HZ1 H 6.243 6.070 -9.119 1.00 . A A . 63 LYS HZ1 1 1
1 428 1 1 32 LYS HZ2 H 6.008 4.972 -7.843 1.00 . A A . 63 LYS HZ2 1 1
1 429 1 1 32 LYS HZ3 H 6.745 6.475 -7.551 1.00 . A A . 63 LYS HZ3 1 1
1 430 1 1 32 LYS N N 3.800 6.523 -2.959 1.00 . A A . 63 LYS N 1 1
1 431 1 1 32 LYS NZ N 6.021 5.979 -8.108 1.00 . A A . 63 LYS NZ 1 1
1 432 1 1 32 LYS O O 4.651 4.397 -4.398 1.00 . A A . 63 LYS O 1 1
1 433 1 1 33 CYS C C 2.769 2.044 -6.649 1.00 . A A . 64 CYS C 1 1
1 434 1 1 33 CYS CA C 3.198 2.314 -5.207 1.00 . A A . 64 CYS CA 1 1
1 435 1 1 33 CYS CB C 2.673 1.212 -4.289 1.00 . A A . 64 CYS CB 1 1
1 436 1 1 33 CYS H H 1.680 3.754 -4.635 1.00 . A A . 64 CYS H 1 1
1 437 1 1 33 CYS HA H 4.275 2.339 -5.151 1.00 . A A . 64 CYS HA 1 1
1 438 1 1 33 CYS HB2 H 2.819 0.256 -4.770 1.00 . A A . 64 CYS HB2 1 1
1 439 1 1 33 CYS HB3 H 3.220 1.230 -3.364 1.00 . A A . 64 CYS HB3 1 1
1 440 1 1 33 CYS HG H 0.428 1.247 -4.761 1.00 . A A . 64 CYS HG 1 1
1 441 1 1 33 CYS N N 2.640 3.609 -4.704 1.00 . A A . 64 CYS N 1 1
1 442 1 1 33 CYS O O 2.299 2.920 -7.347 1.00 . A A . 64 CYS O 1 1
1 443 1 1 33 CYS SG S 0.910 1.429 -3.951 1.00 . A A . 64 CYS SG 1 1
1 444 1 1 34 SER C C 1.789 -0.820 -8.552 1.00 . A A . 65 SER C 1 1
1 445 1 1 34 SER CA C 2.582 0.490 -8.502 1.00 . A A . 65 SER CA 1 1
1 446 1 1 34 SER CB C 3.922 0.323 -9.207 1.00 . A A . 65 SER CB 1 1
1 447 1 1 34 SER H H 3.347 0.149 -6.523 1.00 . A A . 65 SER H 1 1
1 448 1 1 34 SER HA H 2.023 1.292 -8.956 1.00 . A A . 65 SER HA 1 1
1 449 1 1 34 SER HB2 H 4.444 1.265 -9.216 1.00 . A A . 65 SER HB2 1 1
1 450 1 1 34 SER HB3 H 4.516 -0.408 -8.671 1.00 . A A . 65 SER HB3 1 1
1 451 1 1 34 SER HG H 4.257 -0.879 -10.700 1.00 . A A . 65 SER HG 1 1
1 452 1 1 34 SER N N 2.950 0.832 -7.102 1.00 . A A . 65 SER N 1 1
1 453 1 1 34 SER O O 1.708 -1.463 -9.579 1.00 . A A . 65 SER O 1 1
1 454 1 1 34 SER OG O 3.704 -0.110 -10.543 1.00 . A A . 65 SER OG 1 1
1 455 1 1 35 CYS C C -1.086 -2.173 -7.447 1.00 . A A . 66 CYS C 1 1
1 456 1 1 35 CYS CA C 0.398 -2.490 -7.484 1.00 . A A . 66 CYS CA 1 1
1 457 1 1 35 CYS CB C 0.772 -3.326 -6.239 1.00 . A A . 66 CYS CB 1 1
1 458 1 1 35 CYS H H 1.256 -0.679 -6.642 1.00 . A A . 66 CYS H 1 1
1 459 1 1 35 CYS HA H 0.624 -3.044 -8.372 1.00 . A A . 66 CYS HA 1 1
1 460 1 1 35 CYS HB2 H -0.134 -3.695 -5.787 1.00 . A A . 66 CYS HB2 1 1
1 461 1 1 35 CYS HB3 H 1.373 -4.164 -6.552 1.00 . A A . 66 CYS HB3 1 1
1 462 1 1 35 CYS HG H 2.064 -2.989 -4.365 1.00 . A A . 66 CYS HG 1 1
1 463 1 1 35 CYS N N 1.193 -1.218 -7.462 1.00 . A A . 66 CYS N 1 1
1 464 1 1 35 CYS O O -1.889 -2.753 -8.151 1.00 . A A . 66 CYS O 1 1
1 465 1 1 35 CYS SG S 1.686 -2.370 -4.994 1.00 . A A . 66 CYS SG 1 1
1 466 1 1 36 CYS C C -3.267 0.051 -7.620 1.00 . A A . 67 CYS C 1 1
1 467 1 1 36 CYS CA C -2.858 -0.862 -6.476 1.00 . A A . 67 CYS CA 1 1
1 468 1 1 36 CYS CB C -2.870 -0.110 -5.154 1.00 . A A . 67 CYS CB 1 1
1 469 1 1 36 CYS H H -0.761 -0.826 -6.070 1.00 . A A . 67 CYS H 1 1
1 470 1 1 36 CYS HA H -3.497 -1.721 -6.426 1.00 . A A . 67 CYS HA 1 1
1 471 1 1 36 CYS HB2 H -2.226 0.755 -5.231 1.00 . A A . 67 CYS HB2 1 1
1 472 1 1 36 CYS HB3 H -3.871 0.206 -4.918 1.00 . A A . 67 CYS HB3 1 1
1 473 1 1 36 CYS HG H -1.809 -0.659 -3.196 1.00 . A A . 67 CYS HG 1 1
1 474 1 1 36 CYS N N -1.440 -1.259 -6.617 1.00 . A A . 67 CYS N 1 1
1 475 1 1 36 CYS O O -4.346 -0.051 -8.171 1.00 . A A . 67 CYS O 1 1
1 476 1 1 36 CYS SG S -2.252 -1.202 -3.853 1.00 . A A . 67 CYS SG 1 1
1 477 1 1 37 GLN C C -3.457 1.216 -10.193 1.00 . A A . 68 GLN C 1 1
1 478 1 1 37 GLN CA C -2.679 1.902 -9.066 1.00 . A A . 68 GLN CA 1 1
1 479 1 1 37 GLN CB C -1.301 2.343 -9.558 1.00 . A A . 68 GLN CB 1 1
1 480 1 1 37 GLN CD C -0.520 4.566 -8.729 1.00 . A A . 68 GLN CD 1 1
1 481 1 1 37 GLN CG C -0.567 3.068 -8.428 1.00 . A A . 68 GLN CG 1 1
1 482 1 1 37 GLN H H -1.556 0.982 -7.481 1.00 . A A . 68 GLN H 1 1
1 483 1 1 37 GLN HA H -3.222 2.750 -8.690 1.00 . A A . 68 GLN HA 1 1
1 484 1 1 37 GLN HB2 H -0.731 1.476 -9.860 1.00 . A A . 68 GLN HB2 1 1
1 485 1 1 37 GLN HB3 H -1.414 3.012 -10.398 1.00 . A A . 68 GLN HB3 1 1
1 486 1 1 37 GLN HE21 H 1.367 4.763 -8.148 1.00 . A A . 68 GLN HE21 1 1
1 487 1 1 37 GLN HE22 H 0.623 6.187 -8.696 1.00 . A A . 68 GLN HE22 1 1
1 488 1 1 37 GLN HG2 H -1.089 2.904 -7.497 1.00 . A A . 68 GLN HG2 1 1
1 489 1 1 37 GLN HG3 H 0.440 2.687 -8.350 1.00 . A A . 68 GLN HG3 1 1
1 490 1 1 37 GLN N N -2.400 0.942 -7.963 1.00 . A A . 68 GLN N 1 1
1 491 1 1 37 GLN NE2 N 0.581 5.227 -8.506 1.00 . A A . 68 GLN NE2 1 1
1 492 1 1 37 GLN O O -4.672 1.323 -10.196 1.00 . A A . 68 GLN O 1 1
1 493 1 1 37 GLN OXT O -2.824 0.598 -11.032 1.00 . A A . 68 GLN OXT 1 1
1 494 1 1 37 GLN OE1 O -1.495 5.140 -9.173 1.00 . A A . 68 GLN OE1 1 1
1 495 2 2 1 CD CD CD 0.220 -0.947 -3.531 1.00 . B A . 69 CD CD 1 1
1 496 3 2 1 CD CD CD -1.640 -0.791 2.365 1.00 . C A . 70 CD CD 1 1
1 497 4 2 1 CD CD CD -2.733 -0.070 -1.665 1.00 . D A . 71 CD CD 1 1
1 498 5 2 1 CD CD CD 0.588 0.727 -0.402 1.00 . E A . 72 CD CD 1 1
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