NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
373112 |
1dox   |
cing | 4-filtered-FRED | STAR | entry | full | 653 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1dox
# This FRED archive file contains, for PDB entry <1dox>:
#
# - 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_1dox
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1dox
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 10323.52
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 $FERREDOXIN__2FE_2S_ A . 1 1
2 . 2 $FE2_S2__INORGANIC__CLUSTER B . 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 FES 1 FES 1 1
stop_
save_
save_FERREDOXIN__2FE_2S_
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "FERREDOXIN 2FE 2S "
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code ASYTVKLITPDGESSIECSDDTYILDAAEEAGLDLPYSCRAGACSTCAGKITAGSVDQSDQSFLDDDQIEAGYVLTCVAYPTSDCTIETHKEEDLY
_Entity.Number_of_monomers 96
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 ALA . 1 1
2 SER . 1 1
3 TYR . 1 1
4 THR . 1 1
5 VAL . 1 1
6 LYS . 1 1
7 LEU . 1 1
8 ILE . 1 1
9 THR . 1 1
10 PRO . 1 1
11 ASP . 1 1
12 GLY . 1 1
13 GLU . 1 1
14 SER . 1 1
15 SER . 1 1
16 ILE . 1 1
17 GLU . 1 1
18 CYS . 1 1
19 SER . 1 1
20 ASP . 1 1
21 ASP . 1 1
22 THR . 1 1
23 TYR . 1 1
24 ILE . 1 1
25 LEU . 1 1
26 ASP . 1 1
27 ALA . 1 1
28 ALA . 1 1
29 GLU . 1 1
30 GLU . 1 1
31 ALA . 1 1
32 GLY . 1 1
33 LEU . 1 1
34 ASP . 1 1
35 LEU . 1 1
36 PRO . 1 1
37 TYR . 1 1
38 SER . 1 1
39 CYS . 1 1
40 ARG . 1 1
41 ALA . 1 1
42 GLY . 1 1
43 ALA . 1 1
44 CYS . 1 1
45 SER . 1 1
46 THR . 1 1
47 CYS . 1 1
48 ALA . 1 1
49 GLY . 1 1
50 LYS . 1 1
51 ILE . 1 1
52 THR . 1 1
53 ALA . 1 1
54 GLY . 1 1
55 SER . 1 1
56 VAL . 1 1
57 ASP . 1 1
58 GLN . 1 1
59 SER . 1 1
60 ASP . 1 1
61 GLN . 1 1
62 SER . 1 1
63 PHE . 1 1
64 LEU . 1 1
65 ASP . 1 1
66 ASP . 1 1
67 ASP . 1 1
68 GLN . 1 1
69 ILE . 1 1
70 GLU . 1 1
71 ALA . 1 1
72 GLY . 1 1
73 TYR . 1 1
74 VAL . 1 1
75 LEU . 1 1
76 THR . 1 1
77 CYS . 1 1
78 VAL . 1 1
79 ALA . 1 1
80 TYR . 1 1
81 PRO . 1 1
82 THR . 1 1
83 SER . 1 1
84 ASP . 1 1
85 CYS . 1 1
86 THR . 1 1
87 ILE . 1 1
88 GLU . 1 1
89 THR . 1 1
90 HIS . 1 1
91 LYS . 1 1
92 GLU . 1 1
93 GLU . 1 1
94 ASP . 1 1
95 LEU . 1 1
96 TYR . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
ALA 1 1 1 1
SER 2 2 1 1
TYR 3 3 1 1
THR 4 4 1 1
VAL 5 5 1 1
LYS 6 6 1 1
LEU 7 7 1 1
ILE 8 8 1 1
THR 9 9 1 1
PRO 10 10 1 1
ASP 11 11 1 1
GLY 12 12 1 1
GLU 13 13 1 1
SER 14 14 1 1
SER 15 15 1 1
ILE 16 16 1 1
GLU 17 17 1 1
CYS 18 18 1 1
SER 19 19 1 1
ASP 20 20 1 1
ASP 21 21 1 1
THR 22 22 1 1
TYR 23 23 1 1
ILE 24 24 1 1
LEU 25 25 1 1
ASP 26 26 1 1
ALA 27 27 1 1
ALA 28 28 1 1
GLU 29 29 1 1
GLU 30 30 1 1
ALA 31 31 1 1
GLY 32 32 1 1
LEU 33 33 1 1
ASP 34 34 1 1
LEU 35 35 1 1
PRO 36 36 1 1
TYR 37 37 1 1
SER 38 38 1 1
CYS 39 39 1 1
ARG 40 40 1 1
ALA 41 41 1 1
GLY 42 42 1 1
ALA 43 43 1 1
CYS 44 44 1 1
SER 45 45 1 1
THR 46 46 1 1
CYS 47 47 1 1
ALA 48 48 1 1
GLY 49 49 1 1
LYS 50 50 1 1
ILE 51 51 1 1
THR 52 52 1 1
ALA 53 53 1 1
GLY 54 54 1 1
SER 55 55 1 1
VAL 56 56 1 1
ASP 57 57 1 1
GLN 58 58 1 1
SER 59 59 1 1
ASP 60 60 1 1
GLN 61 61 1 1
SER 62 62 1 1
PHE 63 63 1 1
LEU 64 64 1 1
ASP 65 65 1 1
ASP 66 66 1 1
ASP 67 67 1 1
GLN 68 68 1 1
ILE 69 69 1 1
GLU 70 70 1 1
ALA 71 71 1 1
GLY 72 72 1 1
TYR 73 73 1 1
VAL 74 74 1 1
LEU 75 75 1 1
THR 76 76 1 1
CYS 77 77 1 1
VAL 78 78 1 1
ALA 79 79 1 1
TYR 80 80 1 1
PRO 81 81 1 1
THR 82 82 1 1
SER 83 83 1 1
ASP 84 84 1 1
CYS 85 85 1 1
THR 86 86 1 1
ILE 87 87 1 1
GLU 88 88 1 1
THR 89 89 1 1
HIS 90 90 1 1
LYS 91 91 1 1
GLU 92 92 1 1
GLU 93 93 1 1
ASP 94 94 1 1
LEU 95 95 1 1
TYR 96 96 1 1
stop_
save_
save_FE2_S2__INORGANIC__CLUSTER
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "FE2 S2 INORGANIC CLUSTER"
_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 FES $FES 1 2
stop_
save_
save_FES
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID FES
_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
328 1 . . . 1 1
329 1 . . . 1 1
330 1 . . . 1 1
331 1 . . . 1 1
332 1 . . . 1 1
333 1 . . . 1 1
334 1 . . . 1 1
335 1 . . . 1 1
336 1 . . . 1 1
337 1 . . . 1 1
338 1 . . . 1 1
339 1 . . . 1 1
340 1 . . . 1 1
341 1 . . . 1 1
342 1 . . . 1 1
343 1 . . . 1 1
344 1 . . . 1 1
345 1 . . . 1 1
346 1 . . . 1 1
347 1 . . . 1 1
348 1 . . . 1 1
349 1 . . . 1 1
350 1 . . . 1 1
351 1 . . . 1 1
352 1 . . . 1 1
353 1 . . . 1 1
354 1 . . . 1 1
355 1 . . . 1 1
356 1 . . . 1 1
357 1 . . . 1 1
358 1 . . . 1 1
359 1 . . . 1 1
360 1 . . . 1 1
361 1 . . . 1 1
362 1 . . . 1 1
363 1 . . . 1 1
364 1 . . . 1 1
365 1 . . . 1 1
366 1 . . . 1 1
367 1 . . . 1 1
368 1 . . . 1 1
369 1 . . . 1 1
370 1 . . . 1 1
371 1 . . . 1 1
372 1 . . . 1 1
373 1 . . . 1 1
374 1 . . . 1 1
375 1 . . . 1 1
376 1 . . . 1 1
377 1 . . . 1 1
378 1 . . . 1 1
379 1 . . . 1 1
380 1 . . . 1 1
381 1 . . . 1 1
382 1 . . . 1 1
383 1 . . . 1 1
384 1 . . . 1 1
385 1 . . . 1 1
386 1 . . . 1 1
387 1 . . . 1 1
388 1 . . . 1 1
389 1 . . . 1 1
390 1 . . . 1 1
391 1 . . . 1 1
392 1 . . . 1 1
393 1 . . . 1 1
394 1 . . . 1 1
395 1 . . . 1 1
396 1 . . . 1 1
397 1 . . . 1 1
398 1 . . . 1 1
399 1 . . . 1 1
400 1 . . . 1 1
401 1 . . . 1 1
402 1 . . . 1 1
403 1 . . . 1 1
404 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 2 SER HA . 2 . HA 1 1
1 1 2 1 1 3 TYR H . 3 . HN 1 1
2 1 1 1 1 3 TYR HA . 3 . HA 1 1
2 1 2 1 1 4 THR H . 4 . HN 1 1
3 1 1 1 1 4 THR HA . 4 . HA 1 1
3 1 2 1 1 5 VAL H . 5 . HN 1 1
4 1 1 1 1 5 VAL HA . 5 . HA 1 1
4 1 2 1 1 6 LYS H . 6 . HN 1 1
5 1 1 1 1 7 LEU HA . 7 . HA 1 1
5 1 2 1 1 8 ILE H . 8 . HN 1 1
6 1 1 1 1 8 ILE HA . 8 . HA 1 1
6 1 2 1 1 9 THR H . 9 . HN 1 1
7 1 1 1 1 11 ASP HA . 11 . HA 1 1
7 1 2 1 1 12 GLY H . 12 . HN 1 1
8 1 1 1 1 12 GLY HA3 . 12 . HA1 1 1
8 1 2 1 1 13 GLU H . 13 . HN 1 1
9 1 1 1 1 12 GLY HA2 . 12 . HA2 1 1
9 1 2 1 1 13 GLU H . 13 . HN 1 1
10 1 1 1 1 13 GLU HA . 13 . HA 1 1
10 1 2 1 1 14 SER H . 14 . HN 1 1
11 1 1 1 1 14 SER HA . 14 . HA 1 1
11 1 2 1 1 15 SER H . 15 . HN 1 1
12 1 1 1 1 15 SER HA . 15 . HA 1 1
12 1 2 1 1 16 ILE H . 16 . HN 1 1
13 1 1 1 1 17 GLU HA . 17 . HA 1 1
13 1 2 1 1 18 CYS H . 18 . HN 1 1
14 1 1 1 1 18 CYS HA . 18 . HA 1 1
14 1 2 1 1 19 SER H . 19 . HN 1 1
15 1 1 1 1 19 SER HA . 19 . HA 1 1
15 1 2 1 1 20 ASP H . 20 . HN 1 1
16 1 1 1 1 20 ASP HA . 20 . HA 1 1
16 1 2 1 1 21 ASP H . 21 . HN 1 1
17 1 1 1 1 21 ASP HA . 21 . HA 1 1
17 1 2 1 1 22 THR H . 22 . HN 1 1
18 1 1 1 1 22 THR HA . 22 . HA 1 1
18 1 2 1 1 23 TYR H . 23 . HN 1 1
19 1 1 1 1 23 TYR HA . 23 . HA 1 1
19 1 2 1 1 24 ILE H . 24 . HN 1 1
20 1 1 1 1 26 ASP HA . 26 . HA 1 1
20 1 2 1 1 27 ALA H . 27 . HN 1 1
21 1 1 1 1 27 ALA HA . 27 . HA 1 1
21 1 2 1 1 28 ALA H . 28 . HN 1 1
22 1 1 1 1 28 ALA HA . 28 . HA 1 1
22 1 2 1 1 29 GLU H . 29 . HN 1 1
23 1 1 1 1 29 GLU HA . 29 . HA 1 1
23 1 2 1 1 30 GLU H . 30 . HN 1 1
24 1 1 1 1 30 GLU HA . 30 . HA 1 1
24 1 2 1 1 31 ALA H . 31 . HN 1 1
25 1 1 1 1 31 ALA HA . 31 . HA 1 1
25 1 2 1 1 32 GLY H . 32 . HN 1 1
26 1 1 1 1 32 GLY QA . 32 . HA# 1 1
26 1 2 1 1 33 LEU H . 33 . HN 1 1
27 1 1 1 1 33 LEU HA . 33 . HA 1 1
27 1 2 1 1 34 ASP H . 34 . HN 1 1
28 1 1 1 1 34 ASP HA . 34 . HA 1 1
28 1 2 1 1 35 LEU H . 35 . HN 1 1
29 1 1 1 1 49 GLY QA . 49 . HA# 1 1
29 1 2 1 1 50 LYS H . 50 . HN 1 1
30 1 1 1 1 50 LYS HA . 50 . HA 1 1
30 1 2 1 1 51 ILE H . 51 . HN 1 1
31 1 1 1 1 51 ILE HA . 51 . HA 1 1
31 1 2 1 1 52 THR H . 52 . HN 1 1
32 1 1 1 1 52 THR HA . 52 . HA 1 1
32 1 2 1 1 53 ALA H . 53 . HN 1 1
33 1 1 1 1 53 ALA HA . 53 . HA 1 1
33 1 2 1 1 54 GLY H . 54 . HN 1 1
34 1 1 1 1 54 GLY QA . 54 . HA# 1 1
34 1 2 1 1 55 SER H . 55 . HN 1 1
35 1 1 1 1 55 SER HA . 55 . HA 1 1
35 1 2 1 1 56 VAL H . 56 . HN 1 1
36 1 1 1 1 56 VAL HA . 56 . HA 1 1
36 1 2 1 1 57 ASP H . 57 . HN 1 1
37 1 1 1 1 57 ASP HA . 57 . HA 1 1
37 1 2 1 1 58 GLN H . 58 . HN 1 1
38 1 1 1 1 58 GLN HA . 58 . HA 1 1
38 1 2 1 1 59 SER H . 59 . HN 1 1
39 1 1 1 1 60 ASP HA . 60 . HA 1 1
39 1 2 1 1 61 GLN H . 61 . HN 1 1
40 1 1 1 1 65 ASP HA . 65 . HA 1 1
40 1 2 1 1 66 ASP H . 66 . HN 1 1
41 1 1 1 1 66 ASP HA . 66 . HA 1 1
41 1 2 1 1 67 ASP H . 67 . HN 1 1
42 1 1 1 1 69 ILE HA . 69 . HA 1 1
42 1 2 1 1 70 GLU H . 70 . HN 1 1
43 1 1 1 1 70 GLU HA . 70 . HA 1 1
43 1 2 1 1 71 ALA H . 71 . HN 1 1
44 1 1 1 1 71 ALA HA . 71 . HA 1 1
44 1 2 1 1 72 GLY H . 72 . HN 1 1
45 1 1 1 1 72 GLY HA3 . 72 . HA1 1 1
45 1 2 1 1 73 TYR H . 73 . HN 1 1
46 1 1 1 1 72 GLY HA2 . 72 . HA2 1 1
46 1 2 1 1 73 TYR H . 73 . HN 1 1
47 1 1 1 1 73 TYR HA . 73 . HA 1 1
47 1 2 1 1 74 VAL H . 74 . HN 1 1
48 1 1 1 1 79 ALA HA . 79 . HA 1 1
48 1 2 1 1 80 TYR H . 80 . HN 1 1
49 1 1 1 1 82 THR HA . 82 . HA 1 1
49 1 2 1 1 83 SER H . 83 . HN 1 1
50 1 1 1 1 85 CYS HA . 85 . HA 1 1
50 1 2 1 1 86 THR H . 86 . HN 1 1
51 1 1 1 1 86 THR HA . 86 . HA 1 1
51 1 2 1 1 87 ILE H . 87 . HN 1 1
52 1 1 1 1 87 ILE HA . 87 . HA 1 1
52 1 2 1 1 88 GLU H . 88 . HN 1 1
53 1 1 1 1 88 GLU HA . 88 . HA 1 1
53 1 2 1 1 89 THR H . 89 . HN 1 1
54 1 1 1 1 89 THR HA . 89 . HA 1 1
54 1 2 1 1 90 HIS H . 90 . HN 1 1
55 1 1 1 1 90 HIS HA . 90 . HA 1 1
55 1 2 1 1 91 LYS H . 91 . HN 1 1
56 1 1 1 1 91 LYS HA . 91 . HA 1 1
56 1 2 1 1 92 GLU H . 92 . HN 1 1
57 1 1 1 1 93 GLU HA . 93 . HA 1 1
57 1 2 1 1 94 ASP H . 94 . HN 1 1
58 1 1 1 1 94 ASP HA . 94 . HA 1 1
58 1 2 1 1 95 LEU H . 95 . HN 1 1
59 1 1 1 1 95 LEU HA . 95 . HA 1 1
59 1 2 1 1 96 TYR H . 96 . HN 1 1
60 1 1 1 1 2 SER H . 2 . HN 1 1
60 1 2 1 1 3 TYR H . 3 . HN 1 1
61 1 1 1 1 3 TYR H . 3 . HN 1 1
61 1 2 1 1 4 THR H . 4 . HN 1 1
62 1 1 1 1 4 THR H . 4 . HN 1 1
62 1 2 1 1 5 VAL H . 5 . HN 1 1
63 1 1 1 1 8 ILE H . 8 . HN 1 1
63 1 2 1 1 9 THR H . 9 . HN 1 1
64 1 1 1 1 11 ASP H . 11 . HN 1 1
64 1 2 1 1 12 GLY H . 12 . HN 1 1
65 1 1 1 1 13 GLU H . 13 . HN 1 1
65 1 2 1 1 14 SER H . 14 . HN 1 1
66 1 1 1 1 15 SER H . 15 . HN 1 1
66 1 2 1 1 16 ILE H . 16 . HN 1 1
67 1 1 1 1 17 GLU H . 17 . HN 1 1
67 1 2 1 1 18 CYS H . 18 . HN 1 1
68 1 1 1 1 18 CYS H . 18 . HN 1 1
68 1 2 1 1 19 SER H . 19 . HN 1 1
69 1 1 1 1 20 ASP H . 20 . HN 1 1
69 1 2 1 1 21 ASP H . 21 . HN 1 1
70 1 1 1 1 21 ASP H . 21 . HN 1 1
70 1 2 1 1 22 THR H . 22 . HN 1 1
71 1 1 1 1 22 THR H . 22 . HN 1 1
71 1 2 1 1 23 TYR H . 23 . HN 1 1
72 1 1 1 1 27 ALA H . 27 . HN 1 1
72 1 2 1 1 28 ALA H . 28 . HN 1 1
73 1 1 1 1 28 ALA H . 28 . HN 1 1
73 1 2 1 1 29 GLU H . 29 . HN 1 1
74 1 1 1 1 29 GLU H . 29 . HN 1 1
74 1 2 1 1 30 GLU H . 30 . HN 1 1
75 1 1 1 1 30 GLU H . 30 . HN 1 1
75 1 2 1 1 31 ALA H . 31 . HN 1 1
76 1 1 1 1 31 ALA H . 31 . HN 1 1
76 1 2 1 1 32 GLY H . 32 . HN 1 1
77 1 1 1 1 32 GLY H . 32 . HN 1 1
77 1 2 1 1 33 LEU H . 33 . HN 1 1
78 1 1 1 1 33 LEU H . 33 . HN 1 1
78 1 2 1 1 34 ASP H . 34 . HN 1 1
79 1 1 1 1 34 ASP H . 34 . HN 1 1
79 1 2 1 1 35 LEU H . 35 . HN 1 1
80 1 1 1 1 50 LYS H . 50 . HN 1 1
80 1 2 1 1 51 ILE H . 51 . HN 1 1
81 1 1 1 1 51 ILE H . 51 . HN 1 1
81 1 2 1 1 52 THR H . 52 . HN 1 1
82 1 1 1 1 52 THR H . 52 . HN 1 1
82 1 2 1 1 53 ALA H . 53 . HN 1 1
83 1 1 1 1 53 ALA H . 53 . HN 1 1
83 1 2 1 1 54 GLY H . 54 . HN 1 1
84 1 1 1 1 54 GLY H . 54 . HN 1 1
84 1 2 1 1 55 SER H . 55 . HN 1 1
85 1 1 1 1 55 SER H . 55 . HN 1 1
85 1 2 1 1 56 VAL H . 56 . HN 1 1
86 1 1 1 1 56 VAL H . 56 . HN 1 1
86 1 2 1 1 57 ASP H . 57 . HN 1 1
87 1 1 1 1 57 ASP H . 57 . HN 1 1
87 1 2 1 1 58 GLN H . 58 . HN 1 1
88 1 1 1 1 58 GLN H . 58 . HN 1 1
88 1 2 1 1 59 SER H . 59 . HN 1 1
89 1 1 1 1 59 SER H . 59 . HN 1 1
89 1 2 1 1 60 ASP H . 60 . HN 1 1
90 1 1 1 1 60 ASP H . 60 . HN 1 1
90 1 2 1 1 61 GLN H . 61 . HN 1 1
91 1 1 1 1 66 ASP H . 66 . HN 1 1
91 1 2 1 1 67 ASP H . 67 . HN 1 1
92 1 1 1 1 69 ILE H . 69 . HN 1 1
92 1 2 1 1 70 GLU H . 70 . HN 1 1
93 1 1 1 1 70 GLU H . 70 . HN 1 1
93 1 2 1 1 71 ALA H . 71 . HN 1 1
94 1 1 1 1 71 ALA H . 71 . HN 1 1
94 1 2 1 1 72 GLY H . 72 . HN 1 1
95 1 1 1 1 72 GLY H . 72 . HN 1 1
95 1 2 1 1 73 TYR H . 73 . HN 1 1
96 1 1 1 1 79 ALA H . 79 . HN 1 1
96 1 2 1 1 80 TYR H . 80 . HN 1 1
97 1 1 1 1 82 THR H . 82 . HN 1 1
97 1 2 1 1 83 SER H . 83 . HN 1 1
98 1 1 1 1 83 SER H . 83 . HN 1 1
98 1 2 1 1 84 ASP H . 84 . HN 1 1
99 1 1 1 1 86 THR H . 86 . HN 1 1
99 1 2 1 1 87 ILE H . 87 . HN 1 1
100 1 1 1 1 88 GLU H . 88 . HN 1 1
100 1 2 1 1 89 THR H . 89 . HN 1 1
101 1 1 1 1 90 HIS H . 90 . HN 1 1
101 1 2 1 1 91 LYS H . 91 . HN 1 1
102 1 1 1 1 92 GLU H . 92 . HN 1 1
102 1 2 1 1 93 GLU H . 93 . HN 1 1
103 1 1 1 1 93 GLU H . 93 . HN 1 1
103 1 2 1 1 94 ASP H . 94 . HN 1 1
104 1 1 1 1 94 ASP H . 94 . HN 1 1
104 1 2 1 1 95 LEU H . 95 . HN 1 1
105 1 1 1 1 95 LEU H . 95 . HN 1 1
105 1 2 1 1 96 TYR H . 96 . HN 1 1
106 1 1 1 1 2 SER HB3 . 2 . HB1 1 1
106 1 2 1 1 3 TYR H . 3 . HN 1 1
107 1 1 1 1 2 SER HB2 . 2 . HB2 1 1
107 1 2 1 1 3 TYR H . 3 . HN 1 1
108 1 1 1 1 3 TYR QB . 3 . HB# 1 1
108 1 2 1 1 4 THR H . 4 . HN 1 1
109 1 1 1 1 4 THR H . 4 . HN 1 1
109 1 2 1 1 5 VAL QG . 5 . HG* 1 1
110 1 1 1 1 4 THR HG1 . 4 . HG# 1 1
110 1 1 1 1 4 THR MG . 4 . HG# 1 1
110 1 2 1 1 5 VAL H . 5 . HN 1 1
111 1 1 1 1 5 VAL QG . 5 . HG* 1 1
111 1 2 1 1 6 LYS H . 6 . HN 1 1
112 1 1 1 1 6 LYS QG . 6 . HG# 1 1
112 1 2 1 1 7 LEU H . 7 . HN 1 1
113 1 1 1 1 7 LEU MD1 . 7 . HD1# 1 1
113 1 2 1 1 8 ILE H . 8 . HN 1 1
114 1 1 1 1 7 LEU MD2 . 7 . HD2# 1 1
114 1 2 1 1 8 ILE H . 8 . HN 1 1
115 1 1 1 1 7 LEU QB . 7 . HB# 1 1
115 1 2 1 1 8 ILE H . 8 . HN 1 1
116 1 1 1 1 7 LEU HG . 7 . HG 1 1
116 1 2 1 1 8 ILE H . 8 . HN 1 1
117 1 1 1 1 8 ILE QG . 8 . HG# 1 1
117 1 1 1 1 8 ILE MG . 8 . HG# 1 1
117 1 2 1 1 9 THR H . 9 . HN 1 1
118 1 1 1 1 11 ASP HB3 . 11 . HB1 1 1
118 1 2 1 1 12 GLY H . 12 . HN 1 1
119 1 1 1 1 11 ASP HB2 . 11 . HB2 1 1
119 1 2 1 1 12 GLY H . 12 . HN 1 1
120 1 1 1 1 13 GLU QB . 13 . HB# 1 1
120 1 2 1 1 14 SER H . 14 . HN 1 1
121 1 1 1 1 14 SER HB3 . 14 . HB1 1 1
121 1 2 1 1 15 SER H . 15 . HN 1 1
122 1 1 1 1 14 SER HB2 . 14 . HB2 1 1
122 1 2 1 1 15 SER H . 15 . HN 1 1
123 1 1 1 1 15 SER HB3 . 15 . HB1 1 1
123 1 2 1 1 16 ILE H . 16 . HN 1 1
124 1 1 1 1 15 SER HB2 . 15 . HB2 1 1
124 1 2 1 1 16 ILE H . 16 . HN 1 1
125 1 1 1 1 17 GLU QB . 17 . HB# 1 1
125 1 2 1 1 18 CYS H . 18 . HN 1 1
126 1 1 1 1 17 GLU QG . 17 . HG# 1 1
126 1 2 1 1 18 CYS H . 18 . HN 1 1
127 1 1 1 1 18 CYS QB . 18 . HB# 1 1
127 1 2 1 1 19 SER H . 19 . HN 1 1
128 1 1 1 1 21 ASP QB . 21 . HB# 1 1
128 1 2 1 1 22 THR H . 22 . HN 1 1
129 1 1 1 1 22 THR HG1 . 22 . HG# 1 1
129 1 1 1 1 22 THR MG . 22 . HG# 1 1
129 1 2 1 1 23 TYR H . 23 . HN 1 1
130 1 1 1 1 23 TYR QB . 23 . HB# 1 1
130 1 2 1 1 24 ILE H . 24 . HN 1 1
131 1 1 1 1 26 ASP HB3 . 26 . HB1 1 1
131 1 2 1 1 27 ALA H . 27 . HN 1 1
132 1 1 1 1 26 ASP HB2 . 26 . HB2 1 1
132 1 2 1 1 27 ALA H . 27 . HN 1 1
133 1 1 1 1 27 ALA MB . 27 . HB# 1 1
133 1 2 1 1 28 ALA H . 28 . HN 1 1
134 1 1 1 1 27 ALA H . 27 . HN 1 1
134 1 2 1 1 28 ALA MB . 28 . HB# 1 1
135 1 1 1 1 28 ALA MB . 28 . HB# 1 1
135 1 2 1 1 29 GLU H . 29 . HN 1 1
136 1 1 1 1 29 GLU QB . 29 . HB# 1 1
136 1 2 1 1 30 GLU H . 30 . HN 1 1
137 1 1 1 1 30 GLU QB . 30 . HB# 1 1
137 1 2 1 1 31 ALA H . 31 . HN 1 1
138 1 1 1 1 30 GLU HG3 . 30 . HG1 1 1
138 1 2 1 1 31 ALA H . 31 . HN 1 1
139 1 1 1 1 30 GLU HG2 . 30 . HG2 1 1
139 1 2 1 1 31 ALA H . 31 . HN 1 1
140 1 1 1 1 30 GLU H . 30 . HN 1 1
140 1 2 1 1 31 ALA MB . 31 . HB# 1 1
141 1 1 1 1 32 GLY H . 32 . HN 1 1
141 1 2 1 1 33 LEU QB . 33 . HB# 1 1
142 1 1 1 1 32 GLY H . 32 . HN 1 1
142 1 2 1 1 33 LEU HG . 33 . HG 1 1
143 1 1 1 1 32 GLY H . 32 . HN 1 1
143 1 2 1 1 33 LEU QD . 33 . HD* 1 1
144 1 1 1 1 33 LEU QD . 33 . HD* 1 1
144 1 2 1 1 34 ASP H . 34 . HN 1 1
145 1 1 1 1 33 LEU HG . 33 . HG 1 1
145 1 2 1 1 34 ASP H . 34 . HN 1 1
146 1 1 1 1 34 ASP H . 34 . HN 1 1
146 1 2 1 1 35 LEU QB . 35 . HB# 1 1
147 1 1 1 1 34 ASP H . 34 . HN 1 1
147 1 2 1 1 35 LEU HG . 35 . HG 1 1
148 1 1 1 1 50 LYS QB . 50 . HB# 1 1
148 1 2 1 1 51 ILE H . 51 . HN 1 1
149 1 1 1 1 50 LYS QD . 50 . HD# 1 1
149 1 2 1 1 51 ILE H . 51 . HN 1 1
150 1 1 1 1 51 ILE HB . 51 . HB 1 1
150 1 2 1 1 52 THR H . 52 . HN 1 1
151 1 1 1 1 51 ILE QG . 51 . HG* 1 1
151 1 1 1 1 51 ILE MG . 51 . HG* 1 1
151 1 2 1 1 52 THR H . 52 . HN 1 1
152 1 1 1 1 52 THR HB . 52 . HB 1 1
152 1 2 1 1 53 ALA H . 53 . HN 1 1
153 1 1 1 1 53 ALA MB . 53 . HB# 1 1
153 1 2 1 1 54 GLY H . 54 . HN 1 1
154 1 1 1 1 55 SER HB3 . 55 . HB1 1 1
154 1 2 1 1 56 VAL H . 56 . HN 1 1
155 1 1 1 1 55 SER HB2 . 55 . HB2 1 1
155 1 2 1 1 56 VAL H . 56 . HN 1 1
156 1 1 1 1 56 VAL HB . 56 . HB 1 1
156 1 2 1 1 57 ASP H . 57 . HN 1 1
157 1 1 1 1 56 VAL MG1 . 56 . HG1# 1 1
157 1 2 1 1 57 ASP H . 57 . HN 1 1
158 1 1 1 1 56 VAL MG2 . 56 . HG2# 1 1
158 1 2 1 1 57 ASP H . 57 . HN 1 1
159 1 1 1 1 57 ASP QB . 57 . HB# 1 1
159 1 2 1 1 58 GLN H . 58 . HN 1 1
160 1 1 1 1 60 ASP QB . 60 . HB# 1 1
160 1 2 1 1 61 GLN H . 61 . HN 1 1
161 1 1 1 1 65 ASP HB3 . 65 . HB1 1 1
161 1 2 1 1 66 ASP H . 66 . HN 1 1
162 1 1 1 1 65 ASP HB2 . 65 . HB2 1 1
162 1 2 1 1 66 ASP H . 66 . HN 1 1
163 1 1 1 1 66 ASP HB3 . 66 . HB1 1 1
163 1 2 1 1 67 ASP H . 67 . HN 1 1
164 1 1 1 1 66 ASP HB2 . 66 . HB2 1 1
164 1 2 1 1 67 ASP H . 67 . HN 1 1
165 1 1 1 1 67 ASP H . 67 . HN 1 1
165 1 2 1 1 68 GLN NE2 . 68 . NE2 1 1
166 1 1 1 1 69 ILE HB . 69 . HB 1 1
166 1 2 1 1 70 GLU H . 70 . HN 1 1
167 1 1 1 1 69 ILE MD . 69 . HD# 1 1
167 1 2 1 1 70 GLU H . 70 . HN 1 1
168 1 1 1 1 69 ILE QG . 69 . HG* 1 1
168 1 1 1 1 69 ILE MG . 69 . HG* 1 1
168 1 2 1 1 70 GLU H . 70 . HN 1 1
169 1 1 1 1 70 GLU QB . 70 . HB# 1 1
169 1 2 1 1 71 ALA H . 71 . HN 1 1
170 1 1 1 1 71 ALA MB . 71 . HB# 1 1
170 1 2 1 1 72 GLY H . 72 . HN 1 1
171 1 1 1 1 72 GLY H . 72 . HN 1 1
171 1 2 1 1 73 TYR QB . 73 . HB# 1 1
172 1 1 1 1 79 ALA H . 79 . HN 1 1
172 1 2 1 1 80 TYR QB . 80 . HB# 1 1
173 1 1 1 1 83 SER QB . 83 . HB# 1 1
173 1 2 1 1 84 ASP H . 84 . HN 1 1
174 1 1 1 1 86 THR HB . 86 . HB 1 1
174 1 2 1 1 87 ILE H . 87 . HN 1 1
175 1 1 1 1 86 THR HG1 . 86 . HG# 1 1
175 1 1 1 1 86 THR MG . 86 . HG# 1 1
175 1 2 1 1 87 ILE H . 87 . HN 1 1
176 1 1 1 1 88 GLU QB . 88 . HB# 1 1
176 1 2 1 1 89 THR H . 89 . HN 1 1
177 1 1 1 1 88 GLU QG . 88 . HG# 1 1
177 1 2 1 1 89 THR H . 89 . HN 1 1
178 1 1 1 1 89 THR HB . 89 . HB 1 1
178 1 2 1 1 90 HIS H . 90 . HN 1 1
179 1 1 1 1 90 HIS HB3 . 90 . HB1 1 1
179 1 2 1 1 91 LYS H . 91 . HN 1 1
180 1 1 1 1 90 HIS HB2 . 90 . HB2 1 1
180 1 2 1 1 91 LYS H . 91 . HN 1 1
181 1 1 1 1 85 CYS QB . 85 . HB# 1 1
181 1 2 1 1 86 THR H . 86 . HN 1 1
182 1 1 1 1 92 GLU QB . 92 . HB# 1 1
182 1 2 1 1 93 GLU H . 93 . HN 1 1
183 1 1 1 1 93 GLU QB . 93 . HB# 1 1
183 1 2 1 1 94 ASP H . 94 . HN 1 1
184 1 1 1 1 94 ASP H . 94 . HN 1 1
184 1 2 1 1 95 LEU QB . 95 . HB# 1 1
185 1 1 1 1 94 ASP QB . 94 . HB# 1 1
185 1 2 1 1 95 LEU H . 95 . HN 1 1
186 1 1 1 1 95 LEU QB . 95 . HB# 1 1
186 1 2 1 1 96 TYR H . 96 . HN 1 1
187 1 1 1 1 95 LEU HG . 95 . HG 1 1
187 1 2 1 1 96 TYR H . 96 . HN 1 1
188 1 1 1 1 1 ALA MB . 1 . HB# 1 1
188 1 2 1 1 2 SER HA . 2 . HA 1 1
189 1 1 1 1 3 TYR HA . 3 . HA 1 1
189 1 2 1 1 4 THR HB . 4 . HB 1 1
190 1 1 1 1 2 SER HA . 2 . HA 1 1
190 1 2 1 1 3 TYR QD . 3 . HD# 1 1
191 1 1 1 1 2 SER HB3 . 2 . HB1 1 1
191 1 2 1 1 3 TYR QD . 3 . HD# 1 1
192 1 1 1 1 2 SER HB2 . 2 . HB2 1 1
192 1 2 1 1 3 TYR QD . 3 . HD# 1 1
193 1 1 1 1 2 SER HB3 . 2 . HB1 1 1
193 1 2 1 1 3 TYR QE . 3 . HE# 1 1
194 1 1 1 1 2 SER HB2 . 2 . HB2 1 1
194 1 2 1 1 3 TYR QE . 3 . HE# 1 1
195 1 1 1 1 3 TYR QE . 3 . HE# 1 1
195 1 2 1 1 4 THR H . 4 . HN 1 1
196 1 1 1 1 8 ILE HA . 8 . HA 1 1
196 1 2 1 1 9 THR HG1 . 9 . HG# 1 1
196 1 2 1 1 9 THR MG . 9 . HG# 1 1
197 1 1 1 1 9 THR HA . 9 . HA 1 1
197 1 2 1 1 10 PRO QD . 10 . HD# 1 1
198 1 1 1 1 9 THR HB . 9 . HB 1 1
198 1 2 1 1 10 PRO HA . 10 . HA 1 1
199 1 1 1 1 10 PRO HA . 10 . HA 1 1
199 1 2 1 1 11 ASP QB . 11 . HB# 1 1
200 1 1 1 1 12 GLY QA . 12 . HA# 1 1
200 1 2 1 1 13 GLU HA . 13 . HA 1 1
201 1 1 1 1 13 GLU HA . 13 . HA 1 1
201 1 2 1 1 14 SER QB . 14 . HB# 1 1
202 1 1 1 1 72 GLY QA . 72 . HA# 1 1
202 1 2 1 1 73 TYR HA . 73 . HA 1 1
203 1 1 1 1 72 GLY H . 72 . HN 1 1
203 1 2 1 1 73 TYR QD . 73 . HD# 1 1
204 1 1 1 1 95 LEU QB . 95 . HB# 1 1
204 1 2 1 1 96 TYR QD . 96 . HD# 1 1
205 1 1 1 1 95 LEU HG . 95 . HG 1 1
205 1 2 1 1 96 TYR QD . 96 . HD# 1 1
206 1 1 1 1 95 LEU QB . 95 . HB# 1 1
206 1 2 1 1 96 TYR QE . 96 . HE# 1 1
207 1 1 1 1 95 LEU HG . 95 . HG 1 1
207 1 2 1 1 96 TYR QE . 96 . HE# 1 1
208 1 1 1 1 9 THR HA . 9 . HA 1 1
208 1 2 1 1 11 ASP H . 11 . HN 1 1
209 1 1 1 1 19 SER HA . 19 . HA 1 1
209 1 2 1 1 21 ASP H . 21 . HN 1 1
210 1 1 1 1 26 ASP HA . 26 . HA 1 1
210 1 2 1 1 28 ALA H . 28 . HN 1 1
211 1 1 1 1 29 GLU HA . 29 . HA 1 1
211 1 2 1 1 31 ALA H . 31 . HN 1 1
212 1 1 1 1 30 GLU HA . 30 . HA 1 1
212 1 2 1 1 32 GLY H . 32 . HN 1 1
213 1 1 1 1 51 ILE HA . 51 . HA 1 1
213 1 2 1 1 53 ALA H . 53 . HN 1 1
214 1 1 1 1 52 THR H . 52 . HN 1 1
214 1 2 1 1 54 GLY QA . 54 . HA# 1 1
215 1 1 1 1 58 GLN HA . 58 . HA 1 1
215 1 2 1 1 60 ASP H . 60 . HN 1 1
216 1 1 1 1 70 GLU HA . 70 . HA 1 1
216 1 2 1 1 72 GLY H . 72 . HN 1 1
217 1 1 1 1 69 ILE HA . 69 . HA 1 1
217 1 2 1 1 71 ALA H . 71 . HN 1 1
218 1 1 1 1 80 TYR HA . 80 . HA 1 1
218 1 2 1 1 82 THR H . 82 . HN 1 1
219 1 1 1 1 88 GLU HA . 88 . HA 1 1
219 1 2 1 1 90 HIS H . 90 . HN 1 1
220 1 1 1 1 91 LYS HA . 91 . HA 1 1
220 1 2 1 1 93 GLU H . 93 . HN 1 1
221 1 1 1 1 19 SER H . 19 . HN 1 1
221 1 2 1 1 21 ASP H . 21 . HN 1 1
222 1 1 1 1 26 ASP H . 26 . HN 1 1
222 1 2 1 1 28 ALA H . 28 . HN 1 1
223 1 1 1 1 28 ALA H . 28 . HN 1 1
223 1 2 1 1 30 GLU H . 30 . HN 1 1
224 1 1 1 1 29 GLU H . 29 . HN 1 1
224 1 2 1 1 31 ALA H . 31 . HN 1 1
225 1 1 1 1 30 GLU H . 30 . HN 1 1
225 1 2 1 1 32 GLY H . 32 . HN 1 1
226 1 1 1 1 31 ALA H . 31 . HN 1 1
226 1 2 1 1 33 LEU H . 33 . HN 1 1
227 1 1 1 1 32 GLY H . 32 . HN 1 1
227 1 2 1 1 34 ASP H . 34 . HN 1 1
228 1 1 1 1 51 ILE H . 51 . HN 1 1
228 1 2 1 1 53 ALA H . 53 . HN 1 1
229 1 1 1 1 70 GLU H . 70 . HN 1 1
229 1 2 1 1 72 GLY H . 72 . HN 1 1
230 1 1 1 1 82 THR H . 82 . HN 1 1
230 1 2 1 1 84 ASP H . 84 . HN 1 1
231 1 1 1 1 94 ASP H . 94 . HN 1 1
231 1 2 1 1 96 TYR H . 96 . HN 1 1
232 1 1 1 1 25 LEU H . 25 . HN 1 1
232 1 2 1 1 27 ALA MB . 27 . HB# 1 1
233 1 1 1 1 30 GLU QB . 30 . HB# 1 1
233 1 2 1 1 32 GLY H . 32 . HN 1 1
234 1 1 1 1 30 GLU QG . 30 . HG# 1 1
234 1 2 1 1 32 GLY H . 32 . HN 1 1
235 1 1 1 1 31 ALA MB . 31 . HB# 1 1
235 1 2 1 1 33 LEU H . 33 . HN 1 1
236 1 1 1 1 32 GLY H . 32 . HN 1 1
236 1 2 1 1 34 ASP QB . 34 . HB# 1 1
237 1 1 1 1 59 SER H . 59 . HN 1 1
237 1 2 1 1 61 GLN NE2 . 61 . NE2 1 1
238 1 1 1 1 70 GLU QG . 70 . HG# 1 1
238 1 2 1 1 72 GLY H . 72 . HN 1 1
239 1 1 1 1 69 ILE H . 69 . HN 1 1
239 1 2 1 1 71 ALA MB . 71 . HB# 1 1
240 1 1 1 1 71 ALA MB . 71 . HB# 1 1
240 1 2 1 1 73 TYR H . 73 . HN 1 1
241 1 1 1 1 3 TYR QD . 3 . HD# 1 1
241 1 2 1 1 5 VAL QG . 5 . HG* 1 1
242 1 1 1 1 56 VAL QG . 56 . HG* 1 1
242 1 2 1 1 58 GLN NE2 . 58 . NE2 1 1
243 1 1 1 1 71 ALA MB . 71 . HB1 1 1
243 1 2 1 1 73 TYR QD . 73 . HD# 1 1
244 1 1 1 1 9 THR HA . 9 . HA 1 1
244 1 2 1 1 12 GLY H . 12 . HN 1 1
245 1 1 1 1 27 ALA HA . 27 . HA 1 1
245 1 2 1 1 30 GLU H . 30 . HN 1 1
246 1 1 1 1 28 ALA HA . 28 . HA 1 1
246 1 2 1 1 31 ALA H . 31 . HN 1 1
247 1 1 1 1 49 GLY QA . 49 . HA# 1 1
247 1 2 1 1 52 THR H . 52 . HN 1 1
248 1 1 1 1 66 ASP HA . 66 . HA 1 1
248 1 2 1 1 69 ILE H . 69 . HN 1 1
249 1 1 1 1 91 LYS HA . 91 . HA 1 1
249 1 2 1 1 94 ASP H . 94 . HN 1 1
250 1 1 1 1 9 THR H . 9 . HN 1 1
250 1 2 1 1 12 GLY H . 12 . HN 1 1
251 1 1 1 1 24 ILE H . 24 . HN 1 1
251 1 2 1 1 27 ALA H . 27 . HN 1 1
252 1 1 1 1 66 ASP H . 66 . HN 1 1
252 1 2 1 1 69 ILE H . 69 . HN 1 1
253 1 1 1 1 8 ILE QG . 8 . HG* 1 1
253 1 1 1 1 8 ILE MG . 8 . HG* 1 1
253 1 2 1 1 11 ASP H . 11 . HN 1 1
254 1 1 1 1 9 THR HG1 . 9 . HG# 1 1
254 1 1 1 1 9 THR MG . 9 . HG# 1 1
254 1 2 1 1 12 GLY H . 12 . HN 1 1
255 1 1 1 1 25 LEU QB . 25 . HB# 1 1
255 1 2 1 1 28 ALA H . 28 . HN 1 1
256 1 1 1 1 25 LEU HG . 25 . HG 1 1
256 1 2 1 1 28 ALA H . 28 . HN 1 1
257 1 1 1 1 31 ALA H . 31 . HN 1 1
257 1 2 1 1 34 ASP QB . 34 . HB# 1 1
258 1 1 1 1 31 ALA MB . 31 . HB# 1 1
258 1 2 1 1 34 ASP H . 34 . HN 1 1
259 1 1 1 1 66 ASP QB . 66 . HB# 1 1
259 1 2 1 1 69 ILE H . 69 . HN 1 1
260 1 1 1 1 68 GLN NE2 . 68 . NE2 1 1
260 1 2 1 1 71 ALA H . 71 . HN 1 1
261 1 1 1 1 87 ILE H . 87 . HN 1 1
261 1 2 1 1 90 HIS QB . 90 . HB# 1 1
262 1 1 1 1 92 GLU QG . 92 . HG# 1 1
262 1 2 1 1 95 LEU H . 95 . HN 1 1
263 1 1 1 1 92 GLU HB3 . 92 . HB1 1 1
263 1 2 1 1 95 LEU H . 95 . HN 1 1
264 1 1 1 1 92 GLU HB2 . 92 . HB2 1 1
264 1 2 1 1 95 LEU H . 95 . HN 1 1
265 1 1 1 1 9 THR H . 9 . HN 1 1
265 1 2 1 1 13 GLU HA . 13 . HA 1 1
266 1 1 1 1 27 ALA HA . 27 . HA 1 1
266 1 2 1 1 31 ALA H . 31 . HN 1 1
267 1 1 1 1 29 GLU HA . 29 . HA 1 1
267 1 2 1 1 33 LEU H . 33 . HN 1 1
268 1 1 1 1 49 GLY QA . 49 . HA# 1 1
268 1 2 1 1 53 ALA H . 53 . HN 1 1
269 1 1 1 1 66 ASP HA . 66 . HA 1 1
269 1 2 1 1 70 GLU H . 70 . HN 1 1
270 1 1 1 1 66 ASP H . 66 . HN 1 1
270 1 2 1 1 70 GLU H . 70 . HN 1 1
271 1 1 1 1 8 ILE QG . 8 . HG* 1 1
271 1 1 1 1 8 ILE MG . 8 . HG* 1 1
271 1 2 1 1 12 GLY H . 12 . HN 1 1
272 1 1 1 1 23 TYR QB . 23 . HB# 1 1
272 1 2 1 1 27 ALA H . 27 . HN 1 1
273 1 1 1 1 66 ASP QB . 66 . HB# 1 1
273 1 2 1 1 70 GLU H . 70 . HN 1 1
274 1 1 1 1 2 SER QB . 2 . HB# 1 1
274 1 2 1 1 18 CYS H . 18 . HN 1 1
275 1 1 1 1 2 SER QB . 2 . HB# 1 1
275 1 2 1 1 19 SER H . 19 . HN 1 1
276 1 1 1 1 3 TYR QB . 3 . HB# 1 1
276 1 2 1 1 18 CYS H . 18 . HN 1 1
277 1 1 1 1 3 TYR H . 3 . HN 1 1
277 1 2 1 1 18 CYS H . 18 . HN 1 1
278 1 1 1 1 4 THR HA . 4 . HA 1 1
278 1 2 1 1 16 ILE H . 16 . HN 1 1
279 1 1 1 1 4 THR H . 4 . HN 1 1
279 1 2 1 1 85 CYS H . 85 . HN 1 1
280 1 1 1 1 5 VAL HA . 5 . HA 1 1
280 1 2 1 1 85 CYS H . 85 . HN 1 1
281 1 1 1 1 5 VAL QG . 5 . HG* 1 1
281 1 2 1 1 17 GLU H . 17 . HN 1 1
282 1 1 1 1 5 VAL QG . 5 . HG* 1 1
282 1 2 1 1 18 CYS H . 18 . HN 1 1
283 1 1 1 1 5 VAL QG . 5 . HG* 1 1
283 1 2 1 1 85 CYS H . 85 . HN 1 1
284 1 1 1 1 5 VAL H . 5 . HN 1 1
284 1 2 1 1 16 ILE H . 16 . HN 1 1
285 1 1 1 1 5 VAL H . 5 . HN 1 1
285 1 2 1 1 85 CYS H . 85 . HN 1 1
286 1 1 1 1 6 LYS QB . 6 . HB# 1 1
286 1 2 1 1 16 ILE H . 16 . HN 1 1
287 1 1 1 1 6 LYS QD . 6 . HD# 1 1
287 1 2 1 1 16 ILE H . 16 . HN 1 1
288 1 1 1 1 6 LYS QB . 6 . HB# 1 1
288 1 2 1 1 87 ILE H . 87 . HN 1 1
289 1 1 1 1 6 LYS H . 6 . HN 1 1
289 1 2 1 1 85 CYS H . 85 . HN 1 1
290 1 1 1 1 7 LEU HA . 7 . HA 1 1
290 1 2 1 1 87 ILE H . 87 . HN 1 1
291 1 1 1 1 7 LEU QD . 7 . HD# 1 1
291 1 2 1 1 14 SER H . 14 . HN 1 1
292 1 1 1 1 7 LEU HG . 7 . HG 1 1
292 1 2 1 1 14 SER H . 14 . HN 1 1
293 1 1 1 1 7 LEU QB . 7 . HB# 1 1
293 1 2 1 1 87 ILE H . 87 . HN 1 1
294 1 1 1 1 7 LEU HG . 7 . HG 1 1
294 1 2 1 1 87 ILE H . 87 . HN 1 1
295 1 1 1 1 7 LEU QB . 7 . HB# 1 1
295 1 2 1 1 89 THR H . 89 . HN 1 1
296 1 1 1 1 7 LEU HG . 7 . HG 1 1
296 1 2 1 1 89 THR H . 89 . HN 1 1
297 1 1 1 1 7 LEU QD . 7 . HD* 1 1
297 1 2 1 1 87 ILE H . 87 . HN 1 1
298 1 1 1 1 8 ILE QG . 8 . HG* 1 1
298 1 1 1 1 8 ILE MG . 8 . HG* 1 1
298 1 2 1 1 13 GLU HA . 13 . HA 1 1
299 1 1 1 1 8 ILE HA . 8 . HA 1 1
299 1 2 1 1 14 SER H . 14 . HN 1 1
300 1 1 1 1 8 ILE HB . 8 . HB 1 1
300 1 2 1 1 13 GLU H . 13 . HN 1 1
301 1 1 1 1 8 ILE HB . 8 . HB 1 1
301 1 2 1 1 89 THR H . 89 . HN 1 1
302 1 1 1 1 8 ILE H . 8 . HN 1 1
302 1 2 1 1 87 ILE H . 87 . HN 1 1
303 1 1 1 1 8 ILE H . 8 . HN 1 1
303 1 2 1 1 89 THR H . 89 . HN 1 1
304 1 1 1 1 9 THR HA . 9 . HA 1 1
304 1 2 1 1 89 THR H . 89 . HN 1 1
305 1 1 1 1 9 THR H . 9 . HN 1 1
305 1 2 1 1 14 SER H . 14 . HN 1 1
306 1 1 1 1 7 LEU H . 7 . HN 1 1
306 1 2 1 1 14 SER QB . 14 . HB# 1 1
307 1 1 1 1 8 ILE H . 8 . HN 1 1
307 1 2 1 1 14 SER HB3 . 14 . HB1 1 1
308 1 1 1 1 8 ILE H . 8 . HN 1 1
308 1 2 1 1 14 SER HB2 . 14 . HB2 1 1
309 1 1 1 1 5 VAL H . 5 . HN 1 1
309 1 2 1 1 15 SER HA . 15 . HA 1 1
310 1 1 1 1 7 LEU H . 7 . HN 1 1
310 1 2 1 1 15 SER HA . 15 . HA 1 1
311 1 1 1 1 7 LEU H . 7 . HN 1 1
311 1 2 1 1 15 SER QB . 15 . HB# 1 1
312 1 1 1 1 7 LEU H . 7 . HN 1 1
312 1 2 1 1 15 SER H . 15 . HN 1 1
313 1 1 1 1 3 TYR H . 3 . HN 1 1
313 1 2 1 1 16 ILE HB . 16 . HB 1 1
314 1 1 1 1 4 THR H . 4 . HN 1 1
314 1 2 1 1 16 ILE HB . 16 . HB 1 1
315 1 1 1 1 3 TYR H . 3 . HN 1 1
315 1 2 1 1 16 ILE QG . 16 . HG* 1 1
315 1 2 1 1 16 ILE MG . 16 . HG* 1 1
316 1 1 1 1 5 VAL H . 5 . HN 1 1
316 1 2 1 1 16 ILE QG . 16 . HG* 1 1
316 1 2 1 1 16 ILE MG . 16 . HG* 1 1
317 1 1 1 1 16 ILE QG . 16 . HG* 1 1
317 1 1 1 1 16 ILE MG . 16 . HG* 1 1
317 1 2 1 1 27 ALA H . 27 . HN 1 1
318 1 1 1 1 5 VAL H . 5 . HN 1 1
318 1 2 1 1 16 ILE MD . 16 . HD# 1 1
319 1 1 1 1 16 ILE MD . 16 . HD# 1 1
319 1 2 1 1 27 ALA H . 27 . HN 1 1
320 1 1 1 1 5 VAL H . 5 . HN 1 1
320 1 2 1 1 17 GLU HA . 17 . HA 1 1
321 1 1 1 1 3 TYR H . 3 . HN 1 1
321 1 2 1 1 17 GLU QB . 17 . HB# 1 1
322 1 1 1 1 4 THR H . 4 . HN 1 1
322 1 2 1 1 17 GLU QB . 17 . HB# 1 1
323 1 1 1 1 17 GLU QB . 17 . HB# 1 1
323 1 2 1 1 85 CYS H . 85 . HN 1 1
324 1 1 1 1 17 GLU QG . 17 . HG# 1 1
324 1 2 1 1 85 CYS H . 85 . HN 1 1
325 1 1 1 1 3 TYR H . 3 . HN 1 1
325 1 2 1 1 18 CYS QB . 18 . HB# 1 1
326 1 1 1 1 5 VAL H . 5 . HN 1 1
326 1 2 1 1 18 CYS H . 18 . HN 1 1
327 1 1 1 1 20 ASP HA . 20 . HA 1 1
327 1 2 1 1 82 THR H . 82 . HN 1 1
328 1 1 1 1 3 TYR H . 3 . HN 1 1
328 1 2 1 1 20 ASP QB . 20 . HB# 1 1
329 1 1 1 1 20 ASP H . 20 . HN 1 1
329 1 2 1 1 82 THR H . 82 . HN 1 1
330 1 1 1 1 21 ASP HA . 21 . HA 1 1
330 1 2 1 1 80 TYR H . 80 . HN 1 1
331 1 1 1 1 3 TYR H . 3 . HN 1 1
331 1 2 1 1 23 TYR QB . 23 . HB# 1 1
332 1 1 1 1 3 TYR H . 3 . HN 1 1
332 1 2 1 1 23 TYR H . 23 . HN 1 1
333 1 1 1 1 18 CYS QB . 18 . HB# 1 1
333 1 2 1 1 27 ALA MB . 27 . HB# 1 1
334 1 1 1 1 18 CYS H . 18 . HN 1 1
334 1 2 1 1 27 ALA MB . 27 . HB# 1 1
335 1 1 1 1 8 ILE H . 8 . HN 1 1
335 1 2 1 1 29 GLU QB . 29 . HB# 1 1
336 1 1 1 1 12 GLY H . 12 . HN 1 1
336 1 2 1 1 33 LEU QD . 33 . HD* 1 1
337 1 1 1 1 50 LYS QB . 50 . HB# 1 1
337 1 2 1 1 73 TYR H . 73 . HN 1 1
338 1 1 1 1 50 LYS QB . 50 . HB# 1 1
338 1 2 1 1 89 THR H . 89 . HN 1 1
339 1 1 1 1 50 LYS QG . 50 . HG# 1 1
339 1 2 1 1 73 TYR H . 73 . HN 1 1
340 1 1 1 1 51 ILE HA . 51 . HA 1 1
340 1 2 1 1 88 GLU H . 88 . HN 1 1
341 1 1 1 1 51 ILE MD . 51 . HD# 1 1
341 1 2 1 1 72 GLY H . 72 . HN 1 1
342 1 1 1 1 51 ILE QG . 51 . HG* 1 1
342 1 1 1 1 51 ILE MG . 51 . HG* 1 1
342 1 2 1 1 72 GLY H . 72 . HN 1 1
343 1 1 1 1 51 ILE MD . 51 . HD# 1 1
343 1 2 1 1 73 TYR H . 73 . HN 1 1
344 1 1 1 1 51 ILE QG . 51 . HG* 1 1
344 1 1 1 1 51 ILE MG . 51 . HG* 1 1
344 1 2 1 1 73 TYR H . 73 . HN 1 1
345 1 1 1 1 51 ILE MD . 51 . HD# 1 1
345 1 2 1 1 88 GLU H . 88 . HN 1 1
346 1 1 1 1 51 ILE QG . 51 . HG* 1 1
346 1 1 1 1 51 ILE MG . 51 . HG* 1 1
346 1 2 1 1 88 GLU H . 88 . HN 1 1
347 1 1 1 1 51 ILE H . 51 . HN 1 1
347 1 2 1 1 72 GLY H . 72 . HN 1 1
348 1 1 1 1 52 THR HG1 . 52 . HG# 1 1
348 1 1 1 1 52 THR MG . 52 . HG# 1 1
348 1 2 1 1 88 GLU H . 88 . HN 1 1
349 1 1 1 1 52 THR H . 52 . HN 1 1
349 1 2 1 1 88 GLU H . 88 . HN 1 1
350 1 1 1 1 53 ALA HA . 53 . HA 1 1
350 1 2 1 1 86 THR H . 86 . HN 1 1
351 1 1 1 1 53 ALA MB . 53 . HB# 1 1
351 1 2 1 1 86 THR H . 86 . HN 1 1
352 1 1 1 1 53 ALA H . 53 . HN 1 1
352 1 2 1 1 86 THR H . 86 . HN 1 1
353 1 1 1 1 54 GLY QA . 54 . HA# 1 1
353 1 2 1 1 84 ASP H . 84 . HN 1 1
354 1 1 1 1 54 GLY H . 54 . HN 1 1
354 1 2 1 1 71 ALA H . 71 . HN 1 1
355 1 1 1 1 55 SER HA . 55 . HA 1 1
355 1 2 1 1 84 ASP H . 84 . HN 1 1
356 1 1 1 1 56 VAL HA . 56 . HA 1 1
356 1 2 1 1 80 TYR H . 80 . HN 1 1
357 1 1 1 1 56 VAL HA . 56 . HA 1 1
357 1 2 1 1 83 SER H . 83 . HN 1 1
358 1 1 1 1 57 ASP QB . 57 . HB# 1 1
358 1 2 1 1 79 ALA H . 79 . HN 1 1
359 1 1 1 1 57 ASP QB . 57 . HB# 1 1
359 1 2 1 1 80 TYR H . 80 . HN 1 1
360 1 1 1 1 57 ASP H . 57 . HN 1 1
360 1 2 1 1 80 TYR H . 80 . HN 1 1
361 1 1 1 1 58 GLN HA . 58 . HA 1 1
361 1 2 1 1 80 TYR H . 80 . HN 1 1
362 1 1 1 1 58 GLN NE2 . 58 . NE2 1 1
362 1 2 1 1 69 ILE QG . 69 . HG* 1 1
362 1 2 1 1 69 ILE MG . 69 . HG* 1 1
363 1 1 1 1 58 GLN NE2 . 58 . NE2 1 1
363 1 2 1 1 69 ILE MD . 69 . HD# 1 1
364 1 1 1 1 59 SER HA . 59 . HA 1 1
364 1 2 1 1 61 GLN H . 61 . HN 1 1
365 1 1 1 1 58 GLN H . 58 . HN 1 1
365 1 2 1 1 68 GLN HA . 68 . HA 1 1
366 1 1 1 1 60 ASP H . 60 . HN 1 1
366 1 2 1 1 68 GLN HA . 68 . HA 1 1
367 1 1 1 1 68 GLN H . 68 . HN 1 1
367 1 2 1 1 71 ALA H . 71 . HN 1 1
368 1 1 1 1 68 GLN H . 68 . HN 1 1
368 1 2 1 1 71 ALA HA . 71 . HA 1 1
369 1 1 1 1 51 ILE H . 51 . HN 1 1
369 1 2 1 1 72 GLY QA . 72 . HA# 1 1
370 1 1 1 1 54 GLY H . 54 . HN 1 1
370 1 2 1 1 72 GLY QA . 72 . HA# 1 1
371 1 1 1 1 51 ILE H . 51 . HN 1 1
371 1 2 1 1 73 TYR HA . 73 . HA 1 1
372 1 1 1 1 51 ILE H . 51 . HN 1 1
372 1 2 1 1 73 TYR H . 73 . HN 1 1
373 1 1 1 1 22 THR H . 22 . HN 1 1
373 1 2 1 1 79 ALA HA . 79 . HA 1 1
374 1 1 1 1 59 SER H . 59 . HN 1 1
374 1 2 1 1 80 TYR HA . 80 . HA 1 1
375 1 1 1 1 57 ASP H . 57 . HN 1 1
375 1 2 1 1 80 TYR QB . 80 . HB# 1 1
376 1 1 1 1 55 SER H . 55 . HN 1 1
376 1 2 1 1 82 THR HA . 82 . HA 1 1
377 1 1 1 1 80 TYR H . 80 . HN 1 1
377 1 2 1 1 82 THR HA . 82 . HA 1 1
378 1 1 1 1 19 SER H . 19 . HN 1 1
378 1 2 1 1 82 THR HB . 82 . HB 1 1
379 1 1 1 1 4 THR H . 4 . HN 1 1
379 1 2 1 1 84 ASP HA . 84 . HA 1 1
380 1 1 1 1 55 SER H . 55 . HN 1 1
380 1 2 1 1 85 CYS HA . 85 . HA 1 1
381 1 1 1 1 4 THR H . 4 . HN 1 1
381 1 2 1 1 85 CYS QB . 85 . HB# 1 1
382 1 1 1 1 18 CYS H . 18 . HN 1 1
382 1 2 1 1 85 CYS QB . 85 . HB# 1 1
383 1 1 1 1 23 TYR H . 23 . HN 1 1
383 1 2 1 1 85 CYS QB . 85 . HB# 1 1
384 1 1 1 1 54 GLY H . 54 . HN 1 1
384 1 2 1 1 85 CYS QB . 85 . HB# 1 1
385 1 1 1 1 55 SER H . 55 . HN 1 1
385 1 2 1 1 85 CYS QB . 85 . HB# 1 1
386 1 1 1 1 6 LYS H . 6 . HN 1 1
386 1 2 1 1 86 THR HA . 86 . HA 1 1
387 1 1 1 1 72 GLY H . 72 . HN 1 1
387 1 2 1 1 86 THR HB . 86 . HB 1 1
388 1 1 1 1 6 LYS H . 6 . HN 1 1
388 1 2 1 1 86 THR HG1 . 86 . HG# 1 1
388 1 2 1 1 86 THR MG . 86 . HG# 1 1
389 1 1 1 1 54 GLY H . 54 . HN 1 1
389 1 2 1 1 86 THR HG1 . 86 . HG# 1 1
389 1 2 1 1 86 THR MG . 86 . HG# 1 1
390 1 1 1 1 50 LYS H . 50 . HN 1 1
390 1 2 1 1 87 ILE HB . 87 . HB# 1 1
391 1 1 1 1 51 ILE H . 51 . HN 1 1
391 1 2 1 1 87 ILE MD . 87 . HD# 1 1
392 1 1 1 1 51 ILE H . 51 . HN 1 1
392 1 2 1 1 87 ILE QG . 87 . HG* 1 1
392 1 2 1 1 87 ILE MG . 87 . HG* 1 1
393 1 1 1 1 52 THR H . 52 . HN 1 1
393 1 2 1 1 87 ILE MD . 87 . HD# 1 1
394 1 1 1 1 52 THR H . 52 . HN 1 1
394 1 2 1 1 87 ILE QG . 87 . HG* 1 1
394 1 2 1 1 87 ILE MG . 87 . HG* 1 1
395 1 1 1 1 53 ALA H . 53 . HN 1 1
395 1 2 1 1 87 ILE MD . 87 . HD# 1 1
396 1 1 1 1 53 ALA H . 53 . HN 1 1
396 1 2 1 1 87 ILE QG . 87 . HG* 1 1
396 1 2 1 1 87 ILE MG . 87 . HG* 1 1
397 1 1 1 1 7 LEU H . 7 . HN 1 1
397 1 2 1 1 87 ILE H . 87 . HN 1 1
398 1 1 1 1 8 ILE H . 8 . HN 1 1
398 1 2 1 1 88 GLU HA . 88 . HA 1 1
399 1 1 1 1 50 LYS H . 50 . HN 1 1
399 1 2 1 1 88 GLU QG . 88 . HG# 1 1
400 1 1 1 1 89 THR HA . 89 . HA 1 1
400 1 2 1 1 92 GLU H . 92 . HN 1 1
401 1 1 1 1 50 LYS H . 50 . HN 1 1
401 1 2 1 1 89 THR HB . 89 . HB 1 1
402 1 1 1 1 50 LYS H . 50 . HN 1 1
402 1 2 1 1 90 HIS QB . 90 . HB# 1 1
403 1 1 1 1 92 GLU H . 92 . HN 1 1
403 1 2 1 1 94 ASP H . 94 . HN 1 1
404 1 1 1 1 92 GLU H . 92 . HN 1 1
404 1 2 1 1 96 TYR H . 96 . HN 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 1.8 3.5 1 1
2 1 . . . . . 3.0 1.8 3.5 1 1
3 1 . . . . . 4.0 1.8 5.0 1 1
4 1 . . . . . 4.0 1.8 5.0 1 1
5 1 . . . . . 3.0 1.8 3.5 1 1
6 1 . . . . . 3.0 1.8 3.5 1 1
7 1 . . . . . 4.0 1.8 5.0 1 1
8 1 . . . . . 3.0 1.8 3.5 1 1
9 1 . . . . . 3.0 1.8 3.5 1 1
10 1 . . . . . 2.5 1.8 2.7 1 1
11 1 . . . . . 3.0 1.8 3.5 1 1
12 1 . . . . . 3.0 1.8 3.5 1 1
13 1 . . . . . 3.0 1.8 3.5 1 1
14 1 . . . . . 3.0 1.8 3.5 1 1
15 1 . . . . . 3.0 1.8 3.5 1 1
16 1 . . . . . 4.0 1.8 5.0 1 1
17 1 . . . . . 4.0 1.8 5.0 1 1
18 1 . . . . . 4.0 1.8 5.0 1 1
19 1 . . . . . 4.0 1.8 5.0 1 1
20 1 . . . . . 4.0 1.8 5.0 1 1
21 1 . . . . . 3.0 1.8 3.5 1 1
22 1 . . . . . 4.0 1.8 5.0 1 1
23 1 . . . . . 4.0 1.8 5.0 1 1
24 1 . . . . . 3.0 1.8 3.5 1 1
25 1 . . . . . 4.0 1.8 5.0 1 1
26 1 . . . . . 2.5 0.8 3.7 1 1
27 1 . . . . . 3.0 1.8 3.5 1 1
28 1 . . . . . 4.0 1.8 5.0 1 1
29 1 . . . . . 4.0 0.8 6.0 1 1
30 1 . . . . . 3.0 1.8 3.5 1 1
31 1 . . . . . 2.5 1.8 2.7 1 1
32 1 . . . . . 3.0 1.8 3.5 1 1
33 1 . . . . . 3.0 1.8 3.5 1 1
34 1 . . . . . 4.0 0.8 6.0 1 1
35 1 . . . . . 2.5 1.8 2.7 1 1
36 1 . . . . . 2.5 1.8 2.7 1 1
37 1 . . . . . 3.0 1.8 3.5 1 1
38 1 . . . . . 4.0 1.8 5.0 1 1
39 1 . . . . . 4.0 1.8 5.0 1 1
40 1 . . . . . 4.0 1.8 5.0 1 1
41 1 . . . . . 4.5 1.8 6.0 1 1
42 1 . . . . . 4.0 1.8 5.0 1 1
43 1 . . . . . 3.0 1.8 3.5 1 1
44 1 . . . . . 4.0 1.8 5.0 1 1
45 1 . . . . . 3.0 1.8 3.5 1 1
46 1 . . . . . 3.0 1.8 3.5 1 1
47 1 . . . . . 4.0 1.8 5.0 1 1
48 1 . . . . . 4.0 1.8 4.5 1 1
49 1 . . . . . 4.0 1.8 4.5 1 1
50 1 . . . . . 3.0 1.8 3.5 1 1
51 1 . . . . . 4.0 1.8 4.5 1 1
52 1 . . . . . 4.0 1.8 5.0 1 1
53 1 . . . . . 3.0 1.8 3.5 1 1
54 1 . . . . . 4.0 1.8 5.0 1 1
55 1 . . . . . 4.0 1.8 5.0 1 1
56 1 . . . . . 4.0 1.8 5.0 1 1
57 1 . . . . . 4.0 1.8 4.5 1 1
58 1 . . . . . 3.0 1.8 3.5 1 1
59 1 . . . . . 3.0 1.8 3.5 1 1
60 1 . . . . . 4.0 1.8 5.0 1 1
61 1 . . . . . 4.0 1.8 5.0 1 1
62 1 . . . . . 4.0 1.8 5.0 1 1
63 1 . . . . . 4.0 1.8 5.0 1 1
64 1 . . . . . 4.0 1.8 5.0 1 1
65 1 . . . . . 4.5 1.8 6.0 1 1
66 1 . . . . . 4.5 1.8 6.0 1 1
67 1 . . . . . 4.5 1.8 6.0 1 1
68 1 . . . . . 4.0 1.8 5.0 1 1
69 1 . . . . . 4.0 1.8 5.0 1 1
70 1 . . . . . 4.5 1.8 6.0 1 1
71 1 . . . . . 4.0 1.8 5.0 1 1
72 1 . . . . . 3.0 1.8 3.5 1 1
73 1 . . . . . 3.0 1.8 3.5 1 1
74 1 . . . . . 3.0 1.8 3.5 1 1
75 1 . . . . . 2.5 1.8 2.7 1 1
76 1 . . . . . 2.5 1.8 2.7 1 1
77 1 . . . . . 2.5 1.8 2.7 1 1
78 1 . . . . . 2.5 1.8 2.7 1 1
79 1 . . . . . 4.0 1.8 5.0 1 1
80 1 . . . . . 4.0 1.8 5.0 1 1
81 1 . . . . . 4.0 1.8 5.0 1 1
82 1 . . . . . 3.0 1.8 3.5 1 1
83 1 . . . . . 3.0 1.8 3.5 1 1
84 1 . . . . . 4.0 1.8 5.0 1 1
85 1 . . . . . 4.0 1.8 5.0 1 1
86 1 . . . . . 4.0 1.8 5.0 1 1
87 1 . . . . . 4.0 1.8 5.0 1 1
88 1 . . . . . 3.0 1.8 3.5 1 1
89 1 . . . . . 4.0 1.8 5.0 1 1
90 1 . . . . . 4.0 1.8 5.0 1 1
91 1 . . . . . 3.0 1.8 3.5 1 1
92 1 . . . . . 3.0 1.8 3.5 1 1
93 1 . . . . . 3.0 1.8 3.5 1 1
94 1 . . . . . 4.0 1.8 5.0 1 1
95 1 . . . . . 2.5 1.8 2.7 1 1
96 1 . . . . . 4.0 1.8 5.0 1 1
97 1 . . . . . 3.0 1.8 3.5 1 1
98 1 . . . . . 4.0 1.8 5.0 1 1
99 1 . . . . . 3.0 1.8 3.5 1 1
100 1 . . . . . 4.0 1.8 5.0 1 1
101 1 . . . . . 4.0 1.8 5.0 1 1
102 1 . . . . . 4.0 1.8 5.0 1 1
103 1 . . . . . 2.5 1.8 2.7 1 1
104 1 . . . . . 3.0 1.8 3.5 1 1
105 1 . . . . . 2.5 1.8 2.7 1 1
106 1 . . . . . 4.0 1.8 5.0 1 1
107 1 . . . . . 4.0 1.8 5.0 1 1
108 1 . . . . . 3.0 0.8 4.5 1 1
109 1 . . . . . 3.0 -0.6 5.9 1 1
110 1 . . . . . 4.0 0.8 6.0 1 1
111 1 . . . . . 3.0 -0.6 5.9 1 1
112 1 . . . . . 4.0 0.8 6.0 1 1
113 1 . . . . . 4.0 0.8 6.0 1 1
114 1 . . . . . 4.0 0.8 6.0 1 1
115 1 . . . . . 4.0 0.8 6.0 1 1
116 1 . . . . . 4.0 1.8 5.0 1 1
117 1 . . . . . 4.0 0.8 6.0 1 1
118 1 . . . . . 4.0 1.8 5.0 1 1
119 1 . . . . . 4.0 1.8 5.0 1 1
120 1 . . . . . 3.0 0.8 4.5 1 1
121 1 . . . . . 4.0 1.8 5.0 1 1
122 1 . . . . . 4.0 1.8 5.0 1 1
123 1 . . . . . 4.0 1.8 5.0 1 1
124 1 . . . . . 4.0 1.8 5.0 1 1
125 1 . . . . . 4.0 0.8 6.0 1 1
126 1 . . . . . 4.0 1.8 5.0 1 1
127 1 . . . . . 4.0 0.8 6.0 1 1
128 1 . . . . . 4.0 0.8 6.0 1 1
129 1 . . . . . 4.0 0.8 6.0 1 1
130 1 . . . . . 4.0 0.8 6.0 1 1
131 1 . . . . . 4.0 1.8 5.0 1 1
132 1 . . . . . 4.0 1.8 5.0 1 1
133 1 . . . . . 4.0 0.8 6.0 1 1
134 1 . . . . . 4.5 1.3 6.5 1 1
135 1 . . . . . 3.0 0.8 4.5 1 1
136 1 . . . . . 3.0 0.8 4.5 1 1
137 1 . . . . . 2.5 0.8 3.7 1 1
138 1 . . . . . 4.0 1.8 5.0 1 1
139 1 . . . . . 4.0 1.8 5.0 1 1
140 1 . . . . . 3.0 0.8 4.5 1 1
141 1 . . . . . 4.5 0.8 7.0 1 1
142 1 . . . . . 4.0 1.8 5.0 1 1
143 1 . . . . . 3.0 -0.6 5.9 1 1
144 1 . . . . . 3.0 -0.6 5.9 1 1
145 1 . . . . . 3.0 1.8 3.5 1 1
146 1 . . . . . 4.0 0.8 6.0 1 1
147 1 . . . . . 4.0 1.8 5.0 1 1
148 1 . . . . . 4.0 0.8 6.0 1 1
149 1 . . . . . 4.0 0.8 6.0 1 1
150 1 . . . . . 4.0 1.8 5.0 1 1
151 1 . . . . . 4.0 0.8 6.0 1 1
152 1 . . . . . 4.0 1.8 5.0 1 1
153 1 . . . . . 3.0 0.8 4.5 1 1
154 1 . . . . . 4.0 1.8 5.0 1 1
155 1 . . . . . 3.0 1.8 3.5 1 1
156 1 . . . . . 4.0 1.8 5.0 1 1
157 1 . . . . . 4.0 0.8 6.0 1 1
158 1 . . . . . 4.0 0.8 6.0 1 1
159 1 . . . . . 4.0 0.8 6.0 1 1
160 1 . . . . . 4.0 0.8 6.0 1 1
161 1 . . . . . 4.0 1.8 5.0 1 1
162 1 . . . . . 4.0 1.8 5.0 1 1
163 1 . . . . . 4.0 1.8 5.0 1 1
164 1 . . . . . 4.0 1.8 5.0 1 1
165 1 . . . . . 4.0 1.8 5.0 1 1
166 1 . . . . . 4.0 1.8 5.0 1 1
167 1 . . . . . 4.0 0.8 6.0 1 1
168 1 . . . . . 4.0 0.8 6.0 1 1
169 1 . . . . . 4.0 0.8 6.0 1 1
170 1 . . . . . 3.0 0.8 4.5 1 1
171 1 . . . . . 4.0 1.3 6.0 1 1
172 1 . . . . . 4.5 1.3 6.5 1 1
173 1 . . . . . 3.0 0.8 4.5 1 1
174 1 . . . . . 4.5 2.3 5.5 1 1
175 1 . . . . . 4.0 0.8 6.0 1 1
176 1 . . . . . 4.0 0.8 6.0 1 1
177 1 . . . . . 4.0 0.8 6.0 1 1
178 1 . . . . . 4.0 1.8 5.0 1 1
179 1 . . . . . 4.0 0.8 6.0 1 1
180 1 . . . . . 4.0 0.8 6.0 1 1
181 1 . . . . . 4.5 0.8 7.0 1 1
182 1 . . . . . 4.0 0.8 6.0 1 1
183 1 . . . . . 4.0 0.8 6.0 1 1
184 1 . . . . . 4.0 1.8 5.0 1 1
185 1 . . . . . 4.0 0.8 6.0 1 1
186 1 . . . . . 4.0 0.8 6.0 1 1
187 1 . . . . . 4.0 1.8 5.0 1 1
188 1 . . . . . 4.0 0.8 6.0 1 1
189 1 . . . . . 4.0 1.8 5.0 1 1
190 1 . . . . . 4.5 -0.2 8.0 1 1
191 1 . . . . . 4.5 -0.2 8.0 1 1
192 1 . . . . . 4.5 -0.2 8.0 1 1
193 1 . . . . . 3.0 -0.6 5.9 1 1
194 1 . . . . . 4.5 -0.6 8.4 1 1
195 1 . . . . . 4.5 -0.6 8.4 1 1
196 1 . . . . . 4.0 0.8 6.0 1 1
197 1 . . . . . 2.5 0.8 3.7 1 1
198 1 . . . . . 4.0 1.8 5.0 1 1
199 1 . . . . . 4.0 0.8 6.0 1 1
200 1 . . . . . 4.0 0.8 6.0 1 1
201 1 . . . . . 4.0 0.8 6.0 1 1
202 1 . . . . . 4.0 0.8 6.0 1 1
203 1 . . . . . 4.0 -0.2 7.0 1 1
204 1 . . . . . 3.0 -1.2 6.9 1 1
205 1 . . . . . 3.0 -0.2 5.9 1 1
206 1 . . . . . 4.5 -1.6 9.4 1 1
207 1 . . . . . 4.5 -1.6 8.4 1 1
208 1 . . . . . 4.0 1.8 5.0 1 1
209 1 . . . . . 4.5 1.8 6.0 1 1
210 1 . . . . . 4.5 1.8 6.0 1 1
211 1 . . . . . 4.5 1.8 6.0 1 1
212 1 . . . . . 4.5 1.8 6.0 1 1
213 1 . . . . . 3.0 1.8 3.5 1 1
214 1 . . . . . 4.5 0.4 7.4 1 1
215 1 . . . . . 4.0 1.8 5.0 1 1
216 1 . . . . . 4.0 1.8 5.0 1 1
217 1 . . . . . 4.0 1.8 5.0 1 1
218 1 . . . . . 4.5 1.8 6.0 1 1
219 1 . . . . . 4.0 1.8 5.0 1 1
220 1 . . . . . 4.0 1.8 5.0 1 1
221 1 . . . . . 4.0 1.8 5.0 1 1
222 1 . . . . . 4.5 1.8 6.0 1 1
223 1 . . . . . 4.5 2.3 5.5 1 1
224 1 . . . . . 4.5 1.8 6.0 1 1
225 1 . . . . . 4.0 1.8 5.0 1 1
226 1 . . . . . 4.0 1.8 5.0 1 1
227 1 . . . . . 4.0 1.8 5.0 1 1
228 1 . . . . . 4.0 1.8 5.0 1 1
229 1 . . . . . 4.5 1.8 6.0 1 1
230 1 . . . . . 4.0 1.8 5.0 1 1
231 1 . . . . . 4.5 2.3 5.5 1 1
232 1 . . . . . 4.5 0.8 7.0 1 1
233 1 . . . . . 4.0 0.8 6.0 1 1
234 1 . . . . . 4.0 0.8 6.0 1 1
235 1 . . . . . 4.0 0.8 6.0 1 1
236 1 . . . . . 4.0 0.8 6.0 1 1
237 1 . . . . . 4.0 1.8 5.0 1 1
238 1 . . . . . 4.0 0.8 6.0 1 1
239 1 . . . . . 4.0 0.8 6.0 1 1
240 1 . . . . . 4.0 1.8 5.0 1 1
241 1 . . . . . 4.0 -3.0 9.8 1 1
242 1 . . . . . 4.0 -0.6 7.4 1 1
243 1 . . . . . 3.0 -0.6 5.9 1 1
244 1 . . . . . 5.0 2.8 6.0 1 1
245 1 . . . . . 4.5 1.8 6.0 1 1
246 1 . . . . . 4.5 1.8 6.0 1 1
247 1 . . . . . 4.0 0.8 6.0 1 1
248 1 . . . . . 4.0 1.8 5.0 1 1
249 1 . . . . . 4.0 1.8 5.0 1 1
250 1 . . . . . 4.5 1.8 6.0 1 1
251 1 . . . . . 4.0 1.8 5.0 1 1
252 1 . . . . . 4.0 1.8 5.0 1 1
253 1 . . . . . 4.0 0.8 6.0 1 1
254 1 . . . . . 4.0 0.8 6.0 1 1
255 1 . . . . . 4.0 0.8 6.0 1 1
256 1 . . . . . 4.0 1.8 5.0 1 1
257 1 . . . . . 4.5 0.8 7.0 1 1
258 1 . . . . . 4.5 0.8 7.0 1 1
259 1 . . . . . 4.0 0.8 6.0 1 1
260 1 . . . . . 4.0 1.8 5.0 1 1
261 1 . . . . . 4.0 0.8 6.0 1 1
262 1 . . . . . 4.0 0.8 6.0 1 1
263 1 . . . . . 4.0 1.8 5.0 1 1
264 1 . . . . . 2.5 1.8 2.7 1 1
265 1 . . . . . 4.0 1.8 5.0 1 1
266 1 . . . . . 4.0 1.8 5.0 1 1
267 1 . . . . . 4.0 1.8 5.0 1 1
268 1 . . . . . 4.5 1.0 7.0 1 1
269 1 . . . . . 4.0 1.8 5.0 1 1
270 1 . . . . . 4.0 1.8 5.0 1 1
271 1 . . . . . 4.0 0.8 6.0 1 1
272 1 . . . . . 4.0 0.8 6.0 1 1
273 1 . . . . . 4.0 0.8 6.0 1 1
274 1 . . . . . 4.0 0.8 6.0 1 1
275 1 . . . . . 4.5 0.8 7.0 1 1
276 1 . . . . . 4.0 0.8 6.0 1 1
277 1 . . . . . 3.0 1.8 3.5 1 1
278 1 . . . . . 4.5 2.0 6.0 1 1
279 1 . . . . . 4.0 1.8 5.0 1 1
280 1 . . . . . 4.5 1.8 6.0 1 1
281 1 . . . . . 3.0 -0.6 5.9 1 1
282 1 . . . . . 4.0 -0.6 7.4 1 1
283 1 . . . . . 4.5 -0.6 8.4 1 1
284 1 . . . . . 3.0 1.8 3.5 1 1
285 1 . . . . . 4.0 1.8 5.0 1 1
286 1 . . . . . 4.5 0.4 6.5 1 1
287 1 . . . . . 4.5 0.4 7.4 1 1
288 1 . . . . . 4.0 0.8 6.0 1 1
289 1 . . . . . 4.5 1.8 5.0 1 1
290 1 . . . . . 4.0 1.8 5.0 1 1
291 1 . . . . . 4.5 1.8 5.5 1 1
292 1 . . . . . 4.5 1.8 5.5 1 1
293 1 . . . . . 4.0 0.8 6.0 1 1
294 1 . . . . . 4.0 1.8 5.0 1 1
295 1 . . . . . 4.5 0.4 7.4 1 1
296 1 . . . . . 4.5 1.4 6.4 1 1
297 1 . . . . . 4.5 -0.6 8.4 1 1
298 1 . . . . . 4.0 0.8 6.0 1 1
299 1 . . . . . 4.0 1.8 5.0 1 1
300 1 . . . . . 4.5 1.8 6.0 1 1
301 1 . . . . . 4.5 1.8 6.0 1 1
302 1 . . . . . 4.0 1.8 5.0 1 1
303 1 . . . . . 4.5 1.8 6.0 1 1
304 1 . . . . . 4.0 1.8 5.0 1 1
305 1 . . . . . 4.0 1.8 5.0 1 1
306 1 . . . . . 4.0 0.8 6.0 1 1
307 1 . . . . . 3.0 1.8 3.5 1 1
308 1 . . . . . 4.0 1.8 5.0 1 1
309 1 . . . . . 4.5 1.8 6.0 1 1
310 1 . . . . . 4.0 1.8 5.0 1 1
311 1 . . . . . 4.0 0.8 6.0 1 1
312 1 . . . . . 4.0 1.8 5.0 1 1
313 1 . . . . . 4.0 1.8 5.0 1 1
314 1 . . . . . 4.5 2.3 5.5 1 1
315 1 . . . . . 4.0 0.8 6.0 1 1
316 1 . . . . . 4.0 0.8 6.0 1 1
317 1 . . . . . 4.5 0.8 7.0 1 1
318 1 . . . . . 4.0 0.8 6.0 1 1
319 1 . . . . . 4.5 0.8 7.0 1 1
320 1 . . . . . 4.0 1.8 5.0 1 1
321 1 . . . . . 4.0 0.8 6.0 1 1
322 1 . . . . . 4.0 0.8 6.0 1 1
323 1 . . . . . 4.0 0.8 6.0 1 1
324 1 . . . . . 4.0 0.8 6.0 1 1
325 1 . . . . . 4.0 0.8 6.0 1 1
326 1 . . . . . 4.0 1.8 5.0 1 1
327 1 . . . . . 4.0 1.8 5.0 1 1
328 1 . . . . . 4.0 0.8 6.0 1 1
329 1 . . . . . 4.0 1.8 5.0 1 1
330 1 . . . . . 4.0 1.8 5.0 1 1
331 1 . . . . . 4.5 0.8 7.0 1 1
332 1 . . . . . 4.5 1.8 6.0 1 1
333 1 . . . . . 4.0 0.8 6.0 1 1
334 1 . . . . . 4.0 0.8 6.0 1 1
335 1 . . . . . 4.5 0.8 7.0 1 1
336 1 . . . . . 4.0 -0.6 7.4 1 1
337 1 . . . . . 4.5 0.8 7.0 1 1
338 1 . . . . . 4.0 0.8 6.0 1 1
339 1 . . . . . 4.5 0.4 7.5 1 1
340 1 . . . . . 4.5 1.8 6.0 1 1
341 1 . . . . . 4.0 0.8 6.0 1 1
342 1 . . . . . 4.0 0.8 6.0 1 1
343 1 . . . . . 4.0 0.8 6.0 1 1
344 1 . . . . . 4.0 0.8 6.0 1 1
345 1 . . . . . 4.5 0.8 7.0 1 1
346 1 . . . . . 4.5 0.8 7.0 1 1
347 1 . . . . . 4.0 1.8 5.0 1 1
348 1 . . . . . 4.5 0.8 7.0 1 1
349 1 . . . . . 4.5 1.8 6.0 1 1
350 1 . . . . . 4.5 1.8 6.0 1 1
351 1 . . . . . 4.0 0.8 6.0 1 1
352 1 . . . . . 4.0 1.8 5.0 1 1
353 1 . . . . . 4.0 0.8 6.0 1 1
354 1 . . . . . 4.0 1.8 5.0 1 1
355 1 . . . . . 4.0 1.8 5.0 1 1
356 1 . . . . . 4.0 1.8 5.0 1 1
357 1 . . . . . 4.0 1.8 5.0 1 1
358 1 . . . . . 4.0 1.8 5.0 1 1
359 1 . . . . . 4.0 1.8 5.0 1 1
360 1 . . . . . 4.0 1.8 5.0 1 1
361 1 . . . . . 4.5 1.8 6.0 1 1
362 1 . . . . . 4.0 0.8 6.0 1 1
363 1 . . . . . 4.0 0.8 6.0 1 1
364 1 . . . . . 4.0 1.8 5.0 1 1
365 1 . . . . . 4.5 1.4 6.4 1 1
366 1 . . . . . 4.0 1.8 5.0 1 1
367 1 . . . . . 4.0 1.8 5.0 1 1
368 1 . . . . . 4.5 1.8 6.0 1 1
369 1 . . . . . 4.0 0.8 6.0 1 1
370 1 . . . . . 4.0 0.8 6.0 1 1
371 1 . . . . . 4.0 1.8 5.0 1 1
372 1 . . . . . 4.0 1.8 5.0 1 1
373 1 . . . . . 4.5 1.8 6.0 1 1
374 1 . . . . . 4.0 1.8 5.0 1 1
375 1 . . . . . 4.0 0.8 6.0 1 1
376 1 . . . . . 4.0 1.8 5.0 1 1
377 1 . . . . . 4.0 1.8 5.0 1 1
378 1 . . . . . 4.0 1.8 5.0 1 1
379 1 . . . . . 4.5 1.8 6.0 1 1
380 1 . . . . . 4.5 1.8 6.0 1 1
381 1 . . . . . 4.0 0.8 6.0 1 1
382 1 . . . . . 4.0 0.8 6.0 1 1
383 1 . . . . . 4.0 0.8 6.0 1 1
384 1 . . . . . 4.0 0.8 6.0 1 1
385 1 . . . . . 4.0 -0.2 7.0 1 1
386 1 . . . . . 4.0 1.8 5.0 1 1
387 1 . . . . . 4.5 1.8 6.0 1 1
388 1 . . . . . 4.5 0.8 7.0 1 1
389 1 . . . . . 4.0 0.8 6.0 1 1
390 1 . . . . . 4.0 0.8 6.0 1 1
391 1 . . . . . 4.0 0.8 6.0 1 1
392 1 . . . . . 4.0 -0.6 7.4 1 1
393 1 . . . . . 4.0 0.8 6.0 1 1
394 1 . . . . . 4.0 -0.6 7.4 1 1
395 1 . . . . . 4.0 0.8 6.0 1 1
396 1 . . . . . 4.0 -0.6 7.4 1 1
397 1 . . . . . 4.0 1.8 5.0 1 1
398 1 . . . . . 4.0 1.8 5.0 1 1
399 1 . . . . . 4.5 0.8 7.0 1 1
400 1 . . . . . 4.0 1.8 5.0 1 1
401 1 . . . . . 4.5 1.8 6.0 1 1
402 1 . . . . . 4.5 0.8 7.0 1 1
403 1 . . . . . 4.0 0.8 6.0 1 1
404 1 . . . . . 4.0 0.8 6.0 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_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 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
19 1 . . . 1 2
20 1 . . . 1 2
21 1 . . . 1 2
22 1 . . . 1 2
23 1 . . . 1 2
24 1 . . . 1 2
25 1 . . . 1 2
26 1 . . . 1 2
27 1 . . . 1 2
28 1 . . . 1 2
29 1 . . . 1 2
30 1 . . . 1 2
31 1 . . . 1 2
32 1 . . . 1 2
33 1 . . . 1 2
34 1 . . . 1 2
35 1 . . . 1 2
36 1 . . . 1 2
37 1 . . . 1 2
38 1 . . . 1 2
39 1 . . . 1 2
40 1 . . . 1 2
41 1 . . . 1 2
42 1 . . . 1 2
43 1 . . . 1 2
44 1 . . . 1 2
45 1 . . . 1 2
46 1 . . . 1 2
47 1 . . . 1 2
48 1 . . . 1 2
49 1 . . . 1 2
50 1 . . . 1 2
51 1 . . . 1 2
52 1 . . . 1 2
53 1 . . . 1 2
54 1 . . . 1 2
55 1 . . . 1 2
56 1 . . . 1 2
57 1 . . . 1 2
58 1 . . . 1 2
59 1 . . . 1 2
60 1 . . . 1 2
61 1 . . . 1 2
62 1 . . . 1 2
63 1 . . . 1 2
64 1 . . . 1 2
65 1 . . . 1 2
66 1 . . . 1 2
67 1 . . . 1 2
68 1 . . . 1 2
69 1 . . . 1 2
70 1 . . . 1 2
71 1 . . . 1 2
72 1 . . . 1 2
73 1 . . . 1 2
74 1 . . . 1 2
75 1 . . . 1 2
76 1 . . . 1 2
77 1 . . . 1 2
78 1 . . . 1 2
79 1 . . . 1 2
80 1 . . . 1 2
81 1 . . . 1 2
82 1 . . . 1 2
83 1 . . . 1 2
84 1 . . . 1 2
85 1 . . . 1 2
86 1 . . . 1 2
87 1 . . . 1 2
88 1 . . . 1 2
89 1 . . . 1 2
90 1 . . . 1 2
91 1 . . . 1 2
92 1 . . . 1 2
93 1 . . . 1 2
94 1 . . . 1 2
95 1 . . . 1 2
96 1 . . . 1 2
97 1 . . . 1 2
98 1 . . . 1 2
99 1 . . . 1 2
100 1 . . . 1 2
101 1 . . . 1 2
102 1 . . . 1 2
103 1 . . . 1 2
104 1 . . . 1 2
105 1 . . . 1 2
106 1 . . . 1 2
107 1 . . . 1 2
108 1 . . . 1 2
109 1 . . . 1 2
110 1 . . . 1 2
111 1 . . . 1 2
112 1 . . . 1 2
113 1 . . . 1 2
114 1 . . . 1 2
115 1 . . . 1 2
116 1 . . . 1 2
117 1 . . . 1 2
118 1 . . . 1 2
119 1 . . . 1 2
120 1 . . . 1 2
121 1 . . . 1 2
122 1 . . . 1 2
123 1 . . . 1 2
124 1 . . . 1 2
125 1 . . . 1 2
126 1 . . . 1 2
127 1 . . . 1 2
128 1 . . . 1 2
129 1 . . . 1 2
130 1 . . . 1 2
131 1 . . . 1 2
132 1 . . . 1 2
133 1 . . . 1 2
134 1 . . . 1 2
135 1 . . . 1 2
136 1 . . . 1 2
137 1 . . . 1 2
138 1 . . . 1 2
139 1 . . . 1 2
140 1 . . . 1 2
141 1 . . . 1 2
142 1 . . . 1 2
143 1 . . . 1 2
144 1 . . . 1 2
145 1 . . . 1 2
146 1 . . . 1 2
147 1 . . . 1 2
148 1 . . . 1 2
149 1 . . . 1 2
150 1 . . . 1 2
151 1 . . . 1 2
152 1 . . . 1 2
153 1 . . . 1 2
154 1 . . . 1 2
155 1 . . . 1 2
156 1 . . . 1 2
157 1 . . . 1 2
158 1 . . . 1 2
159 1 . . . 1 2
160 1 . . . 1 2
161 1 . . . 1 2
162 1 . . . 1 2
163 1 . . . 1 2
164 1 . . . 1 2
165 1 . . . 1 2
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 2 SER H . 2 . HN 1 2
1 1 2 1 1 2 SER HA . 2 . HA 1 2
2 1 1 1 1 2 SER H . 2 . HN 1 2
2 1 2 1 1 2 SER HB3 . 2 . HB1 1 2
3 1 1 1 1 2 SER H . 2 . HN 1 2
3 1 2 1 1 2 SER HB2 . 2 . HB2 1 2
4 1 1 1 1 3 TYR H . 3 . HN 1 2
4 1 2 1 1 3 TYR HA . 3 . HA 1 2
5 1 1 1 1 3 TYR H . 3 . HN 1 2
5 1 2 1 1 3 TYR HB3 . 3 . HB1 1 2
6 1 1 1 1 3 TYR H . 3 . HN 1 2
6 1 2 1 1 3 TYR HB2 . 3 . HB2 1 2
7 1 1 1 1 3 TYR HA . 3 . HA 1 2
7 1 2 1 1 3 TYR QD . 3 . HD# 1 2
8 1 1 1 1 3 TYR HA . 3 . HA 1 2
8 1 2 1 1 3 TYR QE . 3 . HE# 1 2
9 1 1 1 1 3 TYR QB . 3 . HB# 1 2
9 1 2 1 1 3 TYR QD . 3 . HD# 1 2
10 1 1 1 1 3 TYR H . 3 . HN 1 2
10 1 2 1 1 3 TYR QE . 3 . HE# 1 2
11 1 1 1 1 4 THR H . 4 . HN 1 2
11 1 2 1 1 4 THR HA . 4 . HA 1 2
12 1 1 1 1 4 THR H . 4 . HN 1 2
12 1 2 1 1 4 THR HB . 4 . HB 1 2
13 1 1 1 1 4 THR H . 4 . HN 1 2
13 1 2 1 1 4 THR HG1 . 4 . HG# 1 2
13 1 2 1 1 4 THR MG . 4 . HG# 1 2
14 1 1 1 1 5 VAL H . 5 . HN 1 2
14 1 2 1 1 5 VAL HA . 5 . HA 1 2
15 1 1 1 1 5 VAL H . 5 . HN 1 2
15 1 2 1 1 5 VAL HB . 5 . HB 1 2
16 1 1 1 1 5 VAL H . 5 . HN 1 2
16 1 2 1 1 5 VAL MG1 . 5 . HG1# 1 2
17 1 1 1 1 5 VAL H . 5 . HN 1 2
17 1 2 1 1 5 VAL MG2 . 5 . HG2# 1 2
18 1 1 1 1 5 VAL HA . 5 . HA 1 2
18 1 2 1 1 5 VAL MG1 . 5 . HG1# 1 2
19 1 1 1 1 5 VAL HA . 5 . HA 1 2
19 1 2 1 1 5 VAL MG2 . 5 . HG2# 1 2
20 1 1 1 1 6 LYS H . 6 . HN 1 2
20 1 2 1 1 6 LYS QG . 6 . HG# 1 2
21 1 1 1 1 6 LYS H . 6 . HN 1 2
21 1 2 1 1 6 LYS QE . 6 . HE# 1 2
22 1 1 1 1 8 ILE H . 8 . HN 1 2
22 1 2 1 1 8 ILE HB . 8 . HB 1 2
23 1 1 1 1 8 ILE H . 8 . HN 1 2
23 1 2 1 1 8 ILE MD . 8 . HD# 1 2
24 1 1 1 1 8 ILE H . 8 . HN 1 2
24 1 2 1 1 8 ILE QG . 8 . HG* 1 2
24 1 2 1 1 8 ILE MG . 8 . HG* 1 2
25 1 1 1 1 9 THR H . 9 . HN 1 2
25 1 2 1 1 9 THR HA . 9 . HA 1 2
26 1 1 1 1 9 THR H . 9 . HN 1 2
26 1 2 1 1 9 THR HB . 9 . HB 1 2
27 1 1 1 1 9 THR H . 9 . HN 1 2
27 1 2 1 1 9 THR HG1 . 9 . HG# 1 2
27 1 2 1 1 9 THR MG . 9 . HG# 1 2
28 1 1 1 1 9 THR HA . 9 . HA 1 2
28 1 2 1 1 9 THR HG1 . 9 . HG# 1 2
28 1 2 1 1 9 THR MG . 9 . HG# 1 2
29 1 1 1 1 10 PRO HB3 . 10 . HB1 1 2
29 1 2 1 1 10 PRO QD . 10 . HD# 1 2
30 1 1 1 1 10 PRO HB2 . 10 . HB2 1 2
30 1 2 1 1 10 PRO QD . 10 . HD# 1 2
31 1 1 1 1 10 PRO HA . 10 . HA 1 2
31 1 2 1 1 10 PRO QD . 10 . HD# 1 2
32 1 1 1 1 10 PRO HA . 10 . HA 1 2
32 1 2 1 1 10 PRO HG3 . 10 . HG1 1 2
33 1 1 1 1 10 PRO HA . 10 . HA 1 2
33 1 2 1 1 10 PRO HG2 . 10 . HG2 1 2
34 1 1 1 1 11 ASP H . 11 . HN 1 2
34 1 2 1 1 11 ASP HA . 11 . HA 1 2
35 1 1 1 1 11 ASP H . 11 . HN 1 2
35 1 2 1 1 11 ASP HB3 . 11 . HB1 1 2
36 1 1 1 1 11 ASP H . 11 . HN 1 2
36 1 2 1 1 11 ASP HB2 . 11 . HB2 1 2
37 1 1 1 1 12 GLY H . 12 . HN 1 2
37 1 2 1 1 12 GLY HA3 . 12 . HA1 1 2
38 1 1 1 1 12 GLY H . 12 . HN 1 2
38 1 2 1 1 12 GLY HA2 . 12 . HA2 1 2
39 1 1 1 1 13 GLU H . 13 . HN 1 2
39 1 2 1 1 13 GLU HA . 13 . HA 1 2
40 1 1 1 1 13 GLU H . 13 . HN 1 2
40 1 2 1 1 13 GLU HB3 . 13 . HB1 1 2
41 1 1 1 1 13 GLU H . 13 . HN 1 2
41 1 2 1 1 13 GLU HB2 . 13 . HB2 1 2
42 1 1 1 1 13 GLU H . 13 . HN 1 2
42 1 2 1 1 13 GLU QG . 13 . HG# 1 2
43 1 1 1 1 13 GLU HA . 13 . HA 1 2
43 1 2 1 1 13 GLU HG3 . 13 . HG1 1 2
44 1 1 1 1 13 GLU HA . 13 . HA 1 2
44 1 2 1 1 13 GLU HG2 . 13 . HG2 1 2
45 1 1 1 1 14 SER H . 14 . HN 1 2
45 1 2 1 1 14 SER HA . 14 . HA 1 2
46 1 1 1 1 14 SER H . 14 . HN 1 2
46 1 2 1 1 14 SER HB3 . 14 . HB1 1 2
47 1 1 1 1 14 SER H . 14 . HN 1 2
47 1 2 1 1 14 SER HB2 . 14 . HB2 1 2
48 1 1 1 1 15 SER H . 15 . HN 1 2
48 1 2 1 1 15 SER HA . 15 . HA 1 2
49 1 1 1 1 15 SER H . 15 . HN 1 2
49 1 2 1 1 15 SER HB3 . 15 . HB1 1 2
50 1 1 1 1 15 SER H . 15 . HN 1 2
50 1 2 1 1 15 SER HB2 . 15 . HB2 1 2
51 1 1 1 1 16 ILE H . 16 . HN 1 2
51 1 2 1 1 16 ILE HA . 16 . HA 1 2
52 1 1 1 1 16 ILE H . 16 . HN 1 2
52 1 2 1 1 16 ILE HB . 16 . HB 1 2
53 1 1 1 1 16 ILE H . 16 . HN 1 2
53 1 2 1 1 16 ILE HG13 . 16 . HG11 1 2
54 1 1 1 1 16 ILE H . 16 . HN 1 2
54 1 2 1 1 16 ILE HG12 . 16 . HG12 1 2
55 1 1 1 1 16 ILE H . 16 . HN 1 2
55 1 2 1 1 16 ILE MG . 16 . HG2# 1 2
56 1 1 1 1 16 ILE H . 16 . HN 1 2
56 1 2 1 1 16 ILE MD . 16 . HD# 1 2
57 1 1 1 1 16 ILE HA . 16 . HA 1 2
57 1 2 1 1 16 ILE MG . 16 . HG2# 1 2
58 1 1 1 1 16 ILE HA . 16 . HA 1 2
58 1 2 1 1 16 ILE QG . 16 . HG1# 1 2
59 1 1 1 1 16 ILE HA . 16 . HA 1 2
59 1 2 1 1 16 ILE MD . 16 . HD# 1 2
60 1 1 1 1 17 GLU H . 17 . HN 1 2
60 1 2 1 1 17 GLU HA . 17 . HA 1 2
61 1 1 1 1 17 GLU H . 17 . HN 1 2
61 1 2 1 1 17 GLU QB . 17 . HB# 1 2
62 1 1 1 1 17 GLU H . 17 . HN 1 2
62 1 2 1 1 17 GLU QG . 17 . HG# 1 2
63 1 1 1 1 18 CYS H . 18 . HN 1 2
63 1 2 1 1 18 CYS HA . 18 . HA 1 2
64 1 1 1 1 18 CYS H . 18 . HN 1 2
64 1 2 1 1 18 CYS HB3 . 18 . HB1 1 2
65 1 1 1 1 18 CYS H . 18 . HN 1 2
65 1 2 1 1 18 CYS HB2 . 18 . HB2 1 2
66 1 1 1 1 19 SER H . 19 . HN 1 2
66 1 2 1 1 19 SER HB3 . 19 . HB1 1 2
67 1 1 1 1 19 SER H . 19 . HN 1 2
67 1 2 1 1 19 SER HB2 . 19 . HB2 1 2
68 1 1 1 1 21 ASP H . 21 . HN 1 2
68 1 2 1 1 21 ASP HA . 21 . HA 1 2
69 1 1 1 1 22 THR H . 22 . HN 1 2
69 1 2 1 1 22 THR HA . 22 . HA 1 2
70 1 1 1 1 22 THR H . 22 . HN 1 2
70 1 2 1 1 22 THR HB . 22 . HB 1 2
71 1 1 1 1 22 THR H . 22 . HN 1 2
71 1 2 1 1 22 THR HG1 . 22 . HG# 1 2
71 1 2 1 1 22 THR MG . 22 . HG# 1 2
72 1 1 1 1 23 TYR H . 23 . HN 1 2
72 1 2 1 1 23 TYR HA . 23 . HA 1 2
73 1 1 1 1 26 ASP H . 26 . HN 1 2
73 1 2 1 1 26 ASP HA . 26 . HA 1 2
74 1 1 1 1 26 ASP H . 26 . HN 1 2
74 1 2 1 1 26 ASP HB3 . 26 . HB1 1 2
75 1 1 1 1 26 ASP H . 26 . HN 1 2
75 1 2 1 1 26 ASP HB2 . 26 . HB2 1 2
76 1 1 1 1 27 ALA H . 27 . HN 1 2
76 1 2 1 1 27 ALA HA . 27 . HA 1 2
77 1 1 1 1 27 ALA H . 27 . HN 1 2
77 1 2 1 1 27 ALA MB . 27 . HB# 1 2
78 1 1 1 1 28 ALA H . 28 . HN 1 2
78 1 2 1 1 28 ALA HA . 28 . HA 1 2
79 1 1 1 1 28 ALA H . 28 . HN 1 2
79 1 2 1 1 28 ALA MB . 28 . HB# 1 2
80 1 1 1 1 29 GLU H . 29 . HN 1 2
80 1 2 1 1 29 GLU HA . 29 . HA 1 2
81 1 1 1 1 29 GLU H . 29 . HN 1 2
81 1 2 1 1 29 GLU QB . 29 . HB# 1 2
82 1 1 1 1 29 GLU H . 29 . HN 1 2
82 1 2 1 1 29 GLU QG . 29 . HG# 1 2
83 1 1 1 1 30 GLU H . 30 . HN 1 2
83 1 2 1 1 30 GLU HA . 30 . HA 1 2
84 1 1 1 1 30 GLU H . 30 . HN 1 2
84 1 2 1 1 30 GLU QB . 30 . HB# 1 2
85 1 1 1 1 30 GLU H . 30 . HN 1 2
85 1 2 1 1 30 GLU HG3 . 30 . HG1 1 2
86 1 1 1 1 30 GLU H . 30 . HN 1 2
86 1 2 1 1 30 GLU HG2 . 30 . HG2 1 2
87 1 1 1 1 30 GLU HA . 30 . HA 1 2
87 1 2 1 1 30 GLU HG3 . 30 . HG1 1 2
88 1 1 1 1 30 GLU HA . 30 . HA 1 2
88 1 2 1 1 30 GLU HG2 . 30 . HG2 1 2
89 1 1 1 1 31 ALA H . 31 . HN 1 2
89 1 2 1 1 31 ALA HA . 31 . HA 1 2
90 1 1 1 1 31 ALA H . 31 . HN 1 2
90 1 2 1 1 31 ALA MB . 31 . HB# 1 2
91 1 1 1 1 32 GLY H . 32 . HN 1 2
91 1 2 1 1 32 GLY QA . 32 . HA# 1 2
92 1 1 1 1 33 LEU H . 33 . HN 1 2
92 1 2 1 1 33 LEU HA . 33 . HA 1 2
93 1 1 1 1 33 LEU H . 33 . HN 1 2
93 1 2 1 1 33 LEU HB3 . 33 . HB1 1 2
94 1 1 1 1 33 LEU H . 33 . HN 1 2
94 1 2 1 1 33 LEU HB2 . 33 . HB2 1 2
95 1 1 1 1 33 LEU H . 33 . HN 1 2
95 1 2 1 1 33 LEU HG . 33 . HG 1 2
96 1 1 1 1 33 LEU H . 33 . HN 1 2
96 1 2 1 1 33 LEU QD . 33 . HD* 1 2
97 1 1 1 1 33 LEU HA . 33 . HA 1 2
97 1 2 1 1 33 LEU HG . 33 . HG 1 2
98 1 1 1 1 33 LEU HA . 33 . HA 1 2
98 1 2 1 1 33 LEU QD . 33 . HD* 1 2
99 1 1 1 1 34 ASP H . 34 . HN 1 2
99 1 2 1 1 34 ASP HA . 34 . HA 1 2
100 1 1 1 1 34 ASP H . 34 . HN 1 2
100 1 2 1 1 34 ASP HB3 . 34 . HB1 1 2
101 1 1 1 1 34 ASP H . 34 . HN 1 2
101 1 2 1 1 34 ASP HB2 . 34 . HB2 1 2
102 1 1 1 1 35 LEU H . 35 . HN 1 2
102 1 2 1 1 35 LEU QD . 35 . HD# 1 2
103 1 1 1 1 50 LYS H . 50 . HN 1 2
103 1 2 1 1 50 LYS QD . 50 . HD# 1 2
104 1 1 1 1 50 LYS H . 50 . HN 1 2
104 1 2 1 1 50 LYS QG . 50 . HG# 1 2
105 1 1 1 1 51 ILE H . 51 . HN 1 2
105 1 2 1 1 51 ILE HB . 51 . HB 1 2
106 1 1 1 1 51 ILE H . 51 . HN 1 2
106 1 2 1 1 51 ILE MD . 51 . HD# 1 2
107 1 1 1 1 51 ILE H . 51 . HN 1 2
107 1 2 1 1 51 ILE QG . 51 . HG* 1 2
107 1 2 1 1 51 ILE MG . 51 . HG* 1 2
108 1 1 1 1 51 ILE HA . 51 . HA 1 2
108 1 2 1 1 51 ILE MD . 51 . HD# 1 2
109 1 1 1 1 51 ILE HA . 51 . HA 1 2
109 1 2 1 1 51 ILE QG . 51 . HG* 1 2
109 1 2 1 1 51 ILE MG . 51 . HG* 1 2
110 1 1 1 1 52 THR H . 52 . HN 1 2
110 1 2 1 1 52 THR HA . 52 . HA 1 2
111 1 1 1 1 52 THR H . 52 . HN 1 2
111 1 2 1 1 52 THR HB . 52 . HB 1 2
112 1 1 1 1 52 THR H . 52 . HN 1 2
112 1 2 1 1 52 THR HG1 . 52 . HG# 1 2
112 1 2 1 1 52 THR MG . 52 . HG# 1 2
113 1 1 1 1 52 THR HA . 52 . HA 1 2
113 1 2 1 1 52 THR HG1 . 52 . HG# 1 2
113 1 2 1 1 52 THR MG . 52 . HG# 1 2
114 1 1 1 1 53 ALA H . 53 . HN 1 2
114 1 2 1 1 53 ALA HA . 53 . HA 1 2
115 1 1 1 1 53 ALA H . 53 . HN 1 2
115 1 2 1 1 53 ALA MB . 53 . HB# 1 2
116 1 1 1 1 56 VAL H . 56 . HN 1 2
116 1 2 1 1 56 VAL HA . 56 . HA 1 2
117 1 1 1 1 56 VAL H . 56 . HN 1 2
117 1 2 1 1 56 VAL HB . 56 . HB# 1 2
118 1 1 1 1 57 ASP H . 57 . HN 1 2
118 1 2 1 1 57 ASP HA . 57 . HA 1 2
119 1 1 1 1 57 ASP H . 57 . HN 1 2
119 1 2 1 1 57 ASP QB . 57 . HB# 1 2
120 1 1 1 1 58 GLN H . 58 . HN 1 2
120 1 2 1 1 58 GLN HA . 58 . HA 1 2
121 1 1 1 1 66 ASP H . 66 . HN 1 2
121 1 2 1 1 66 ASP HA . 66 . HA 1 2
122 1 1 1 1 66 ASP H . 66 . HN 1 2
122 1 2 1 1 66 ASP QB . 66 . HB# 1 2
123 1 1 1 1 70 GLU H . 70 . HN 1 2
123 1 2 1 1 70 GLU HA . 70 . HA 1 2
124 1 1 1 1 71 ALA H . 71 . HN 1 2
124 1 2 1 1 71 ALA HA . 71 . HA 1 2
125 1 1 1 1 71 ALA H . 71 . HN 1 2
125 1 2 1 1 71 ALA MB . 71 . HB# 1 2
126 1 1 1 1 72 GLY H . 72 . HN 1 2
126 1 2 1 1 72 GLY HA3 . 72 . HA1 1 2
127 1 1 1 1 72 GLY H . 72 . HN 1 2
127 1 2 1 1 72 GLY HA2 . 72 . HA2 1 2
128 1 1 1 1 73 TYR H . 73 . HN 1 2
128 1 2 1 1 73 TYR HA . 73 . HA 1 2
129 1 1 1 1 73 TYR H . 73 . HN 1 2
129 1 2 1 1 73 TYR HB3 . 73 . HB1 1 2
130 1 1 1 1 73 TYR H . 73 . HN 1 2
130 1 2 1 1 73 TYR HB2 . 73 . HB2 1 2
131 1 1 1 1 73 TYR HA . 73 . HA 1 2
131 1 2 1 1 73 TYR QD . 73 . HD# 1 2
132 1 1 1 1 73 TYR HA . 73 . HA 1 2
132 1 2 1 1 73 TYR QE . 73 . HE# 1 2
133 1 1 1 1 73 TYR HB3 . 73 . HB1 1 2
133 1 2 1 1 73 TYR QD . 73 . HD# 1 2
134 1 1 1 1 73 TYR HB2 . 73 . HB2 1 2
134 1 2 1 1 73 TYR QD . 73 . HD# 1 2
135 1 1 1 1 73 TYR H . 73 . HN 1 2
135 1 2 1 1 73 TYR QD . 73 . HD# 1 2
136 1 1 1 1 73 TYR H . 73 . HN 1 2
136 1 2 1 1 73 TYR QE . 73 . HE# 1 2
137 1 1 1 1 80 TYR H . 80 . HN 1 2
137 1 2 1 1 80 TYR HA . 80 . HA 1 2
138 1 1 1 1 83 SER H . 83 . HN 1 2
138 1 2 1 1 83 SER HA . 83 . HA 1 2
139 1 1 1 1 85 CYS H . 85 . HN 1 2
139 1 2 1 1 85 CYS HA . 85 . HA 1 2
140 1 1 1 1 85 CYS H . 85 . HN 1 2
140 1 2 1 1 85 CYS HB3 . 85 . HB1 1 2
141 1 1 1 1 85 CYS H . 85 . HN 1 2
141 1 2 1 1 85 CYS HB2 . 85 . HB2 1 2
142 1 1 1 1 86 THR H . 86 . HN 1 2
142 1 2 1 1 86 THR HA . 86 . HA 1 2
143 1 1 1 1 86 THR H . 86 . HN 1 2
143 1 2 1 1 86 THR HG1 . 86 . HG# 1 2
143 1 2 1 1 86 THR MG . 86 . HG# 1 2
144 1 1 1 1 88 GLU H . 88 . HN 1 2
144 1 2 1 1 88 GLU HA . 88 . HA 1 2
145 1 1 1 1 88 GLU H . 88 . HN 1 2
145 1 2 1 1 88 GLU QB . 88 . HB# 1 2
146 1 1 1 1 88 GLU H . 88 . HN 1 2
146 1 2 1 1 88 GLU QG . 88 . HG# 1 2
147 1 1 1 1 88 GLU HA . 88 . HA 1 2
147 1 2 1 1 88 GLU QG . 88 . HG# 1 2
148 1 1 1 1 89 THR H . 89 . HN 1 2
148 1 2 1 1 89 THR HA . 89 . HA 1 2
149 1 1 1 1 89 THR H . 89 . HN 1 2
149 1 2 1 1 89 THR HB . 89 . HB# 1 2
150 1 1 1 1 91 LYS H . 91 . HN 1 2
150 1 2 1 1 91 LYS QB . 91 . HB# 1 2
151 1 1 1 1 94 ASP H . 94 . HN 1 2
151 1 2 1 1 94 ASP HA . 94 . HA 1 2
152 1 1 1 1 94 ASP H . 94 . HN 1 2
152 1 2 1 1 94 ASP HB3 . 94 . HB1 1 2
153 1 1 1 1 94 ASP H . 94 . HN 1 2
153 1 2 1 1 94 ASP HB2 . 94 . HB2 1 2
154 1 1 1 1 95 LEU H . 95 . HN 1 2
154 1 2 1 1 95 LEU HA . 95 . HA 1 2
155 1 1 1 1 95 LEU H . 95 . HN 1 2
155 1 2 1 1 95 LEU QB . 95 . HB# 1 2
156 1 1 1 1 95 LEU H . 95 . HN 1 2
156 1 2 1 1 95 LEU MD1 . 95 . HD1# 1 2
157 1 1 1 1 95 LEU H . 95 . HN 1 2
157 1 2 1 1 95 LEU MD2 . 95 . HD2# 1 2
158 1 1 1 1 95 LEU H . 95 . HN 1 2
158 1 2 1 1 95 LEU HG . 95 . HG 1 2
159 1 1 1 1 96 TYR H . 96 . HN 1 2
159 1 2 1 1 96 TYR HA . 96 . HA 1 2
160 1 1 1 1 96 TYR H . 96 . HN 1 2
160 1 2 1 1 96 TYR HB3 . 96 . HB1 1 2
161 1 1 1 1 96 TYR H . 96 . HN 1 2
161 1 2 1 1 96 TYR HB2 . 96 . HB2 1 2
162 1 1 1 1 96 TYR HA . 96 . HA 1 2
162 1 2 1 1 96 TYR QD . 96 . HD# 1 2
163 1 1 1 1 96 TYR HA . 96 . HA 1 2
163 1 2 1 1 96 TYR QE . 96 . HE# 1 2
164 1 1 1 1 96 TYR QB . 96 . HB# 1 2
164 1 2 1 1 96 TYR QD . 96 . HD# 1 2
165 1 1 1 1 96 TYR QB . 96 . HB# 1 2
165 1 2 1 1 96 TYR QE . 96 . HE# 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 1.8 3.5 1 2
2 1 . . . . . 3.0 1.8 3.5 1 2
3 1 . . . . . 3.0 1.8 3.5 1 2
4 1 . . . . . 3.0 1.8 3.5 1 2
5 1 . . . . . 3.0 1.8 3.5 1 2
6 1 . . . . . 4.0 1.8 5.0 1 2
7 1 . . . . . 3.0 -0.2 5.5 1 2
8 1 . . . . . 3.0 -0.2 5.5 1 2
9 1 . . . . . 2.5 -1.2 5.7 1 2
10 1 . . . . . 4.0 -0.6 7.4 1 2
11 1 . . . . . 2.5 1.8 2.7 1 2
12 1 . . . . . 3.0 1.8 3.5 1 2
13 1 . . . . . 3.0 0.8 4.5 1 2
14 1 . . . . . 2.5 1.8 2.7 1 2
15 1 . . . . . 3.0 1.8 3.5 1 2
16 1 . . . . . 3.0 0.8 5.0 1 2
17 1 . . . . . 3.0 0.8 5.0 1 2
18 1 . . . . . 2.5 1.1 3.3 1 2
19 1 . . . . . 2.5 1.1 3.3 1 2
20 1 . . . . . 4.0 0.8 6.0 1 2
21 1 . . . . . 4.0 0.8 6.0 1 2
22 1 . . . . . 4.0 1.8 5.0 1 2
23 1 . . . . . 4.0 0.8 6.0 1 2
24 1 . . . . . 4.0 0.8 6.0 1 2
25 1 . . . . . 3.0 1.8 3.5 1 2
26 1 . . . . . 3.0 1.8 3.5 1 2
27 1 . . . . . 3.0 0.8 4.5 1 2
28 1 . . . . . 2.5 1.2 3.3 1 2
29 1 . . . . . 2.5 0.8 3.7 1 2
30 1 . . . . . 2.5 0.8 3.7 1 2
31 1 . . . . . 2.5 1.2 3.3 1 2
32 1 . . . . . 4.0 1.8 5.0 1 2
33 1 . . . . . 4.0 1.8 5.0 1 2
34 1 . . . . . 3.0 1.8 3.5 1 2
35 1 . . . . . 2.5 1.8 2.7 1 2
36 1 . . . . . 2.5 1.8 2.7 1 2
37 1 . . . . . 2.5 1.8 2.7 1 2
38 1 . . . . . 2.5 1.8 2.7 1 2
39 1 . . . . . 3.0 1.8 3.5 1 2
40 1 . . . . . 3.0 1.8 3.5 1 2
41 1 . . . . . 3.0 1.8 3.5 1 2
42 1 . . . . . 3.0 0.8 4.5 1 2
43 1 . . . . . 3.0 1.8 3.5 1 2
44 1 . . . . . 4.0 1.8 5.0 1 2
45 1 . . . . . 3.0 1.8 3.5 1 2
46 1 . . . . . 3.0 1.8 3.5 1 2
47 1 . . . . . 3.0 1.8 3.5 1 2
48 1 . . . . . 3.0 1.8 3.5 1 2
49 1 . . . . . 3.0 1.8 3.5 1 2
50 1 . . . . . 3.0 1.8 3.5 1 2
51 1 . . . . . 2.5 1.8 2.7 1 2
52 1 . . . . . 3.0 1.8 3.5 1 2
53 1 . . . . . 3.0 1.8 3.5 1 2
54 1 . . . . . 2.5 1.8 2.7 1 2
55 1 . . . . . 3.0 0.8 4.5 1 2
56 1 . . . . . 2.5 0.8 3.7 1 2
57 1 . . . . . 2.5 1.2 3.3 1 2
58 1 . . . . . 2.5 1.2 3.3 1 2
59 1 . . . . . 3.0 0.8 4.5 1 2
60 1 . . . . . 2.5 1.8 2.7 1 2
61 1 . . . . . 3.0 0.8 4.5 1 2
62 1 . . . . . 4.0 0.8 6.0 1 2
63 1 . . . . . 2.5 1.8 2.7 1 2
64 1 . . . . . 3.0 1.8 3.5 1 2
65 1 . . . . . 3.0 1.8 3.5 1 2
66 1 . . . . . 4.0 1.8 5.0 1 2
67 1 . . . . . 3.0 1.8 3.5 1 2
68 1 . . . . . 2.5 1.8 2.7 1 2
69 1 . . . . . 2.5 1.8 2.7 1 2
70 1 . . . . . 4.0 1.8 5.0 1 2
71 1 . . . . . 3.0 0.8 4.5 1 2
72 1 . . . . . 2.5 1.8 2.7 1 2
73 1 . . . . . 3.0 1.8 3.5 1 2
74 1 . . . . . 3.0 1.8 3.5 1 2
75 1 . . . . . 2.5 1.8 2.7 1 2
76 1 . . . . . 3.0 1.8 3.5 1 2
77 1 . . . . . 2.5 1.2 3.3 1 2
78 1 . . . . . 2.5 1.8 2.7 1 2
79 1 . . . . . 2.5 1.2 3.3 1 2
80 1 . . . . . 3.0 1.8 3.5 1 2
81 1 . . . . . 3.0 1.2 4.1 1 2
82 1 . . . . . 3.0 0.8 4.5 1 2
83 1 . . . . . 2.5 1.8 2.7 1 2
84 1 . . . . . 2.5 1.2 3.3 1 2
85 1 . . . . . 4.0 1.8 5.0 1 2
86 1 . . . . . 4.0 1.8 5.0 1 2
87 1 . . . . . 3.0 1.8 3.5 1 2
88 1 . . . . . 3.0 1.8 3.5 1 2
89 1 . . . . . 2.5 1.8 2.7 1 2
90 1 . . . . . 2.5 1.2 3.3 1 2
91 1 . . . . . 2.5 0.8 3.7 1 2
92 1 . . . . . 2.5 1.8 2.7 1 2
93 1 . . . . . 3.0 1.8 3.5 1 2
94 1 . . . . . 3.0 1.8 3.5 1 2
95 1 . . . . . 3.0 1.8 3.5 1 2
96 1 . . . . . 3.0 0.1 5.2 1 2
97 1 . . . . . 3.0 1.8 3.5 1 2
98 1 . . . . . 2.5 0.1 4.4 1 2
99 1 . . . . . 2.5 1.8 2.7 1 2
100 1 . . . . . 2.5 1.8 2.7 1 2
101 1 . . . . . 2.5 1.8 2.7 1 2
102 1 . . . . . 3.0 -0.6 5.9 1 2
103 1 . . . . . 4.0 0.8 6.0 1 2
104 1 . . . . . 4.0 0.8 6.0 1 2
105 1 . . . . . 3.0 1.8 3.5 1 2
106 1 . . . . . 4.0 0.8 6.0 1 2
107 1 . . . . . 3.0 0.8 4.5 1 2
108 1 . . . . . 4.0 0.8 6.0 1 2
109 1 . . . . . 2.5 1.2 3.3 1 2
110 1 . . . . . 3.0 1.8 3.5 1 2
111 1 . . . . . 4.0 1.8 5.0 1 2
112 1 . . . . . 4.0 0.8 6.0 1 2
113 1 . . . . . 2.5 1.2 3.3 1 2
114 1 . . . . . 2.5 1.8 2.7 1 2
115 1 . . . . . 2.5 1.2 3.3 1 2
116 1 . . . . . 2.5 1.8 2.7 1 2
117 1 . . . . . 3.0 0.8 4.5 1 2
118 1 . . . . . 3.0 1.8 3.5 1 2
119 1 . . . . . 3.0 0.8 4.5 1 2
120 1 . . . . . 2.5 1.8 2.7 1 2
121 1 . . . . . 2.5 1.8 2.7 1 2
122 1 . . . . . 3.0 0.8 4.5 1 2
123 1 . . . . . 2.5 1.8 2.7 1 2
124 1 . . . . . 2.5 1.8 2.7 1 2
125 1 . . . . . 2.5 0.8 3.7 1 2
126 1 . . . . . 2.5 1.8 2.7 1 2
127 1 . . . . . 2.5 1.8 2.7 1 2
128 1 . . . . . 3.0 1.8 3.5 1 2
129 1 . . . . . 3.0 1.8 3.5 1 2
130 1 . . . . . 2.5 1.8 2.7 1 2
131 1 . . . . . 3.0 -0.2 5.5 1 2
132 1 . . . . . 4.0 -0.2 7.0 1 2
133 1 . . . . . 2.5 -0.2 4.7 1 2
134 1 . . . . . 2.5 -0.2 4.7 1 2
135 1 . . . . . 2.5 -0.6 5.1 1 2
136 1 . . . . . 4.0 -0.6 7.4 1 2
137 1 . . . . . 2.5 1.8 2.7 1 2
138 1 . . . . . 2.5 1.8 2.7 1 2
139 1 . . . . . 2.5 1.8 2.7 1 2
140 1 . . . . . 3.0 1.8 3.5 1 2
141 1 . . . . . 3.0 1.8 3.5 1 2
142 1 . . . . . 3.0 1.8 3.5 1 2
143 1 . . . . . 3.0 0.8 4.5 1 2
144 1 . . . . . 3.0 1.8 3.5 1 2
145 1 . . . . . 2.5 1.2 3.3 1 2
146 1 . . . . . 3.0 0.8 4.5 1 2
147 1 . . . . . 3.0 1.2 4.1 1 2
148 1 . . . . . 3.0 1.8 3.5 1 2
149 1 . . . . . 4.0 0.8 6.0 1 2
150 1 . . . . . 3.0 0.8 4.5 1 2
151 1 . . . . . 2.5 1.8 2.7 1 2
152 1 . . . . . 3.0 1.8 3.5 1 2
153 1 . . . . . 2.5 1.8 2.7 1 2
154 1 . . . . . 3.0 1.8 3.5 1 2
155 1 . . . . . 3.0 1.2 4.1 1 2
156 1 . . . . . 4.0 0.8 6.0 1 2
157 1 . . . . . 4.0 0.8 6.0 1 2
158 1 . . . . . 4.0 1.8 5.0 1 2
159 1 . . . . . 2.5 1.8 2.7 1 2
160 1 . . . . . 2.5 1.8 2.7 1 2
161 1 . . . . . 3.0 1.8 3.5 1 2
162 1 . . . . . 4.0 -0.6 7.4 1 2
163 1 . . . . . 4.0 -0.6 7.4 1 2
164 1 . . . . . 2.5 0.1 4.4 1 2
165 1 . . . . . 2.5 0.1 4.4 1 2
stop_
save_
save_CNS/XPLOR_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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 3
2 1 . . . 1 3
3 1 . . . 1 3
4 1 . . . 1 3
5 1 . . . 1 3
6 1 . . . 1 3
7 1 . . . 1 3
8 1 . . . 1 3
9 1 . . . 1 3
10 1 . . . 1 3
11 1 . . . 1 3
12 1 . . . 1 3
13 1 . . . 1 3
14 1 . . . 1 3
15 1 . . . 1 3
16 1 . . . 1 3
17 1 . . . 1 3
18 1 . . . 1 3
19 1 . . . 1 3
20 1 . . . 1 3
21 1 . . . 1 3
22 1 . . . 1 3
23 1 . . . 1 3
24 1 . . . 1 3
25 1 . . . 1 3
26 1 . . . 1 3
27 1 . . . 1 3
28 1 . . . 1 3
29 1 . . . 1 3
30 1 . . . 1 3
31 1 . . . 1 3
32 1 . . . 1 3
33 1 . . . 1 3
34 1 . . . 1 3
35 1 . . . 1 3
36 1 . . . 1 3
37 1 . . . 1 3
38 1 . . . 1 3
39 1 . . . 1 3
40 1 . . . 1 3
41 1 . . . 1 3
42 1 . . . 1 3
43 1 . . . 1 3
44 1 . . . 1 3
45 1 . . . 1 3
46 1 . . . 1 3
47 1 . . . 1 3
48 1 . . . 1 3
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 4 THR N . 4 . N 1 3
1 1 2 1 1 16 ILE O . 16 . O 1 3
2 1 1 1 1 4 THR O . 4 . O 1 3
2 1 2 1 1 16 ILE N . 16 . N 1 3
3 1 1 1 1 5 VAL N . 5 . N 1 3
3 1 2 1 1 16 ILE O . 16 . O 1 3
4 1 1 1 1 5 VAL O . 5 . O 1 3
4 1 2 1 1 16 ILE N . 16 . N 1 3
5 1 1 1 1 7 LEU N . 7 . N 1 3
5 1 2 1 1 14 SER O . 14 . O 1 3
6 1 1 1 1 7 LEU O . 7 . O 1 3
6 1 2 1 1 14 SER N . 14 . N 1 3
7 1 1 1 1 9 THR N . 9 . N 1 3
7 1 2 1 1 12 GLY O . 12 . O 1 3
8 1 1 1 1 9 THR O . 9 . O 1 3
8 1 2 1 1 12 GLY N . 12 . N 1 3
9 1 1 1 1 9 THR O . 9 . O 1 3
9 1 2 1 1 11 ASP N . 11 . N 1 3
10 1 1 1 1 8 ILE O . 8 . O 1 3
10 1 2 1 1 89 THR N . 89 . N 1 3
11 1 1 1 1 8 ILE N . 8 . N 1 3
11 1 2 1 1 87 ILE O . 87 . O 1 3
12 1 1 1 1 6 LYS O . 6 . O 1 3
12 1 2 1 1 87 ILE N . 87 . N 1 3
13 1 1 1 1 50 LYS O . 50 . O 1 3
13 1 2 1 1 88 GLU N . 88 . N 1 3
14 1 1 1 1 50 LYS N . 50 . N 1 3
14 1 2 1 1 88 GLU O . 88 . O 1 3
15 1 1 1 1 4 THR H . 4 . HN 1 3
15 1 2 1 1 16 ILE O . 16 . O 1 3
16 1 1 1 1 4 THR O . 4 . O 1 3
16 1 2 1 1 16 ILE H . 16 . HN 1 3
17 1 1 1 1 5 VAL H . 5 . HN 1 3
17 1 2 1 1 16 ILE O . 16 . O 1 3
18 1 1 1 1 5 VAL O . 5 . O 1 3
18 1 2 1 1 16 ILE H . 16 . HN 1 3
19 1 1 1 1 7 LEU H . 7 . HN 1 3
19 1 2 1 1 14 SER O . 14 . O 1 3
20 1 1 1 1 7 LEU O . 7 . O 1 3
20 1 2 1 1 14 SER H . 14 . HN 1 3
21 1 1 1 1 9 THR H . 9 . HN 1 3
21 1 2 1 1 12 GLY O . 12 . O 1 3
22 1 1 1 1 9 THR H . 9 . HN 1 3
22 1 2 1 1 11 ASP O . 11 . O 1 3
23 1 1 1 1 9 THR O . 9 . O 1 3
23 1 2 1 1 12 GLY H . 12 . HN 1 3
24 1 1 1 1 8 ILE O . 8 . O 1 3
24 1 2 1 1 89 THR H . 89 . HN 1 3
25 1 1 1 1 8 ILE H . 8 . HN 1 3
25 1 2 1 1 87 ILE O . 87 . O 1 3
26 1 1 1 1 6 LYS O . 6 . O 1 3
26 1 2 1 1 87 ILE H . 87 . HN 1 3
27 1 1 1 1 50 LYS O . 50 . O 1 3
27 1 2 1 1 88 GLU H . 88 . HN 1 3
28 1 1 1 1 50 LYS H . 50 . HN 1 3
28 1 2 1 1 88 GLU O . 88 . O 1 3
29 1 1 1 1 23 TYR O . 23 . O 1 3
29 1 2 1 1 27 ALA N . 27 . N 1 3
30 1 1 1 1 24 ILE O . 24 . O 1 3
30 1 2 1 1 28 ALA N . 28 . N 1 3
31 1 1 1 1 25 LEU O . 25 . O 1 3
31 1 2 1 1 29 GLU N . 29 . N 1 3
32 1 1 1 1 26 ASP O . 26 . O 1 3
32 1 2 1 1 30 GLU N . 30 . N 1 3
33 1 1 1 1 27 ALA O . 27 . O 1 3
33 1 2 1 1 31 ALA N . 31 . N 1 3
34 1 1 1 1 28 ALA O . 28 . O 1 3
34 1 2 1 1 32 GLY N . 32 . N 1 3
35 1 1 1 1 29 GLU O . 29 . O 1 3
35 1 2 1 1 33 LEU N . 33 . N 1 3
36 1 1 1 1 23 TYR O . 23 . O 1 3
36 1 2 1 1 27 ALA H . 27 . HN 1 3
37 1 1 1 1 24 ILE O . 24 . O 1 3
37 1 2 1 1 28 ALA H . 28 . HN 1 3
38 1 1 1 1 25 LEU O . 25 . O 1 3
38 1 2 1 1 29 GLU H . 29 . HN 1 3
39 1 1 1 1 26 ASP O . 26 . O 1 3
39 1 2 1 1 30 GLU H . 30 . HN 1 3
40 1 1 1 1 27 ALA O . 27 . O 1 3
40 1 2 1 1 31 ALA H . 31 . HN 1 3
41 1 1 1 1 28 ALA O . 28 . O 1 3
41 1 2 1 1 32 GLY H . 32 . HN 1 3
42 1 1 1 1 29 GLU O . 29 . O 1 3
42 1 2 1 1 33 LEU H . 33 . HN 1 3
43 1 1 1 1 39 CYS CA . 39 . CA 1 3
43 1 2 1 1 44 CYS CA . 44 . CA 1 3
44 1 1 1 1 44 CYS CA . 44 . CA 1 3
44 1 2 1 1 47 CYS CA . 47 . CA 1 3
45 1 1 1 1 47 CYS CA . 47 . CA 1 3
45 1 2 1 1 77 CYS CA . 77 . CA 1 3
46 1 1 1 1 39 CYS CA . 39 . CA 1 3
46 1 2 1 1 77 CYS CA . 77 . CA 1 3
47 1 1 1 1 39 CYS CA . 39 . CA 1 3
47 1 2 1 1 47 CYS CA . 47 . CA 1 3
48 1 1 1 1 44 CYS CA . 44 . CA 1 3
48 1 2 1 1 77 CYS CA . 77 . CA 1 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.3 2.5 3.5 1 3
2 1 . . . . . 3.3 2.5 3.5 1 3
3 1 . . . . . 3.3 2.5 3.5 1 3
4 1 . . . . . 3.3 2.5 3.5 1 3
5 1 . . . . . 3.3 2.5 3.5 1 3
6 1 . . . . . 3.3 2.5 3.5 1 3
7 1 . . . . . 3.3 2.5 3.5 1 3
8 1 . . . . . 3.3 2.5 3.5 1 3
9 1 . . . . . 3.3 2.5 3.5 1 3
10 1 . . . . . 3.3 2.5 3.5 1 3
11 1 . . . . . 3.3 2.5 3.5 1 3
12 1 . . . . . 3.3 2.5 3.5 1 3
13 1 . . . . . 3.3 2.5 3.5 1 3
14 1 . . . . . 3.3 2.5 3.5 1 3
15 1 . . . . . 2.3 1.5 2.5 1 3
16 1 . . . . . 2.3 1.5 2.5 1 3
17 1 . . . . . 2.3 1.5 2.5 1 3
18 1 . . . . . 2.3 1.5 2.5 1 3
19 1 . . . . . 2.3 1.5 2.5 1 3
20 1 . . . . . 2.3 1.5 2.5 1 3
21 1 . . . . . 2.3 1.5 2.5 1 3
22 1 . . . . . 2.3 1.5 2.5 1 3
23 1 . . . . . 2.3 1.5 2.5 1 3
24 1 . . . . . 2.3 1.5 2.5 1 3
25 1 . . . . . 2.3 1.5 2.5 1 3
26 1 . . . . . 2.3 1.5 2.5 1 3
27 1 . . . . . 2.3 1.5 2.5 1 3
28 1 . . . . . 2.3 1.5 2.5 1 3
29 1 . . . . . 3.3 2.5 3.5 1 3
30 1 . . . . . 3.3 2.5 3.5 1 3
31 1 . . . . . 3.3 2.5 3.5 1 3
32 1 . . . . . 3.3 2.5 3.5 1 3
33 1 . . . . . 3.3 2.5 3.5 1 3
34 1 . . . . . 3.3 2.5 3.5 1 3
35 1 . . . . . 3.3 2.5 3.5 1 3
36 1 . . . . . 2.3 1.5 2.5 1 3
37 1 . . . . . 2.3 1.5 2.5 1 3
38 1 . . . . . 2.3 1.5 2.5 1 3
39 1 . . . . . 2.3 1.5 2.5 1 3
40 1 . . . . . 2.3 1.5 2.5 1 3
41 1 . . . . . 2.3 1.5 2.5 1 3
42 1 . . . . . 2.3 1.5 2.5 1 3
43 1 . . . . . 7.0 6.0 8.0 1 3
44 1 . . . . . 7.9 6.9 8.9 1 3
45 1 . . . . . 6.5 5.5 7.5 1 3
46 1 . . . . . 8.5 7.5 9.5 1 3
47 1 . . . . . 9.4 8.4 10.4 1 3
48 1 . . . . . 9.9 8.9 10.9 1 3
stop_
save_
save_CNS/XPLOR_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 39 CYS N 1 1 39 CYS CA 1 1 39 CYS CB 1 1 39 CYS SG 26.0 106.0 . 39 . N . 39 . CA . 39 . CB . 39 . SG 1 1
2 . 1 1 44 CYS N 1 1 44 CYS CA 1 1 44 CYS CB 1 1 44 CYS SG 50.0 130.0 . 44 . N . 44 . CA . 44 . CB . 44 . SG 1 1
3 . 1 1 47 CYS N 1 1 47 CYS CA 1 1 47 CYS CB 1 1 47 CYS SG 28.0 107.99999 . 47 . N . 47 . CA . 47 . CB . 47 . SG 1 1
4 . 1 1 77 CYS N 1 1 77 CYS CA 1 1 77 CYS CB 1 1 77 CYS SG 29.0 109.0 . 77 . N . 77 . CA . 77 . CB . 77 . SG 1 1
5 . 1 1 39 CYS CA 1 1 39 CYS CB 1 1 39 CYS SG 2 2 1 FES FE1 -83.0 -2.9999998 . 39 . CA . 39 . CB . 39 . SG . 97 . FE1 1 1
6 . 1 1 44 CYS CA 1 1 44 CYS CB 1 1 44 CYS SG 2 2 1 FES FE1 -109.0 -29.0 . 44 . CA . 44 . CB . 44 . SG . 97 . FE1 1 1
7 . 1 1 47 CYS CA 1 1 47 CYS CB 1 1 47 CYS SG 2 2 1 FES FE2 -164.0 -84.0 . 47 . CA . 47 . CB . 47 . SG . 97 . FE2 1 1
8 . 1 1 77 CYS CA 1 1 77 CYS CB 1 1 77 CYS SG 2 2 1 FES FE2 -155.0 -75.0 . 77 . CA . 77 . CB . 77 . SG . 97 . FE2 1 1
9 . 1 1 37 TYR C 1 1 38 SER N 1 1 38 SER CA 1 1 38 SER C -162.99998 -83.0 . 37 . C . 38 . N . 38 . CA . 38 . C 1 1
10 . 1 1 38 SER C 1 1 39 CYS N 1 1 39 CYS CA 1 1 39 CYS C -106.0 -26.0 . 38 . C . 39 . N . 39 . CA . 39 . C 1 1
11 . 1 1 42 GLY C 1 1 43 ALA N 1 1 43 ALA CA 1 1 43 ALA C -150.99998 -71.0 . 42 . C . 43 . N . 43 . CA . 43 . C 1 1
12 . 1 1 43 ALA C 1 1 44 CYS N 1 1 44 CYS CA 1 1 44 CYS C -191.99998 -112.0 . 43 . C . 44 . N . 44 . CA . 44 . C 1 1
13 . 1 1 44 CYS C 1 1 45 SER N 1 1 45 SER CA 1 1 45 SER C -153.0 -73.0 . 44 . C . 45 . N . 45 . CA . 45 . C 1 1
14 . 1 1 45 SER C 1 1 46 THR N 1 1 46 THR CA 1 1 46 THR C -91.0 -11.0 . 45 . C . 46 . N . 46 . CA . 46 . C 1 1
15 . 1 1 46 THR C 1 1 47 CYS N 1 1 47 CYS CA 1 1 47 CYS C -132.0 -52.0 . 46 . C . 47 . N . 47 . CA . 47 . C 1 1
16 . 1 1 74 VAL C 1 1 75 LEU N 1 1 75 LEU CA 1 1 75 LEU C -146.0 -66.0 . 74 . C . 75 . N . 75 . CA . 75 . C 1 1
17 . 1 1 75 LEU C 1 1 76 THR N 1 1 76 THR CA 1 1 76 THR C -94.0 -14.0 . 75 . C . 76 . N . 76 . CA . 76 . C 1 1
18 . 1 1 76 THR C 1 1 77 CYS N 1 1 77 CYS CA 1 1 77 CYS C -131.0 -50.999996 . 76 . C . 77 . N . 77 . CA . 77 . C 1 1
19 . 1 1 77 CYS C 1 1 78 VAL N 1 1 78 VAL CA 1 1 78 VAL C -167.0 -87.0 . 77 . C . 78 . N . 78 . CA . 78 . C 1 1
20 . 1 1 38 SER N 1 1 38 SER CA 1 1 38 SER C 1 1 39 CYS N -128.0 -47.999996 . 38 . N . 38 . CA . 38 . C . 39 . N 1 1
21 . 1 1 39 CYS N 1 1 39 CYS CA 1 1 39 CYS C 1 1 40 ARG N -58.0 22.0 . 39 . N . 39 . CA . 39 . C . 40 . N 1 1
22 . 1 1 43 ALA N 1 1 43 ALA CA 1 1 43 ALA C 1 1 44 CYS N -23.0 57.0 . 43 . N . 43 . CA . 43 . C . 44 . N 1 1
23 . 1 1 44 CYS N 1 1 44 CYS CA 1 1 44 CYS C 1 1 45 SER N -193.0 -113.0 . 44 . N . 44 . CA . 44 . C . 45 . N 1 1
24 . 1 1 45 SER N 1 1 45 SER CA 1 1 45 SER C 1 1 46 THR N -39.4 40.6 . 45 . N . 45 . CA . 45 . C . 46 . N 1 1
25 . 1 1 46 THR N 1 1 46 THR CA 1 1 46 THR C 1 1 47 CYS N -83.0 -2.9999998 . 46 . N . 46 . CA . 46 . C . 47 . N 1 1
26 . 1 1 47 CYS N 1 1 47 CYS CA 1 1 47 CYS C 1 1 48 ALA N -16.0 64.0 . 47 . N . 47 . CA . 47 . C . 48 . N 1 1
27 . 1 1 75 LEU N 1 1 75 LEU CA 1 1 75 LEU C 1 1 76 THR N 60.0 140.0 . 75 . N . 75 . CA . 75 . C . 76 . N 1 1
28 . 1 1 76 THR N 1 1 76 THR CA 1 1 76 THR C 1 1 77 CYS N -70.0 10.0 . 76 . N . 76 . CA . 76 . C . 77 . N 1 1
29 . 1 1 77 CYS N 1 1 77 CYS CA 1 1 77 CYS C 1 1 78 VAL N -63.0 17.0 . 77 . N . 77 . CA . 77 . C . 78 . N 1 1
30 . 1 1 78 VAL N 1 1 78 VAL CA 1 1 78 VAL C 1 1 79 ALA N -16.0 64.0 . 78 . N . 78 . CA . 78 . C . 79 . N 1 1
31 . 1 1 23 TYR C 1 1 24 ILE N 1 1 24 ILE CA 1 1 24 ILE C -98.0 -18.0 . 23 . C . 24 . N . 24 . CA . 24 . C 1 1
32 . 1 1 24 ILE C 1 1 25 LEU N 1 1 25 LEU CA 1 1 25 LEU C -98.0 -18.0 . 24 . C . 25 . N . 25 . CA . 25 . C 1 1
33 . 1 1 25 LEU C 1 1 26 ASP N 1 1 26 ASP CA 1 1 26 ASP C -98.0 -18.0 . 25 . C . 26 . N . 26 . CA . 26 . C 1 1
34 . 1 1 26 ASP C 1 1 27 ALA N 1 1 27 ALA CA 1 1 27 ALA C -98.0 -18.0 . 26 . C . 27 . N . 27 . CA . 27 . C 1 1
35 . 1 1 27 ALA C 1 1 28 ALA N 1 1 28 ALA CA 1 1 28 ALA C -98.0 -18.0 . 27 . C . 28 . N . 28 . CA . 28 . C 1 1
36 . 1 1 28 ALA C 1 1 29 GLU N 1 1 29 GLU CA 1 1 29 GLU C -98.0 -18.0 . 28 . C . 29 . N . 29 . CA . 29 . C 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 ALA C C 12.980 -1.797 -6.931 1.00 . A A . 1 ALA C 1 1
1 2 1 1 1 ALA CA C 13.016 -0.299 -6.624 1.00 . A A . 1 ALA CA 1 1
1 3 1 1 1 ALA CB C 12.224 0.459 -7.691 1.00 . A A . 1 ALA CB 1 1
1 4 1 1 1 ALA H1 H 14.945 -0.276 -7.412 1.00 . A A . 1 ALA H1 1 1
1 5 1 1 1 ALA H2 H 14.450 1.207 -6.745 1.00 . A A . 1 ALA H2 1 1
1 6 1 1 1 ALA H3 H 14.883 -0.078 -5.726 1.00 . A A . 1 ALA H3 1 1
1 7 1 1 1 ALA HA H 12.578 -0.119 -5.654 1.00 . A A . 1 ALA HA 1 1
1 8 1 1 1 ALA HB1 H 12.391 1.519 -7.579 1.00 . A A . 1 ALA HB1 1 1
1 9 1 1 1 ALA HB2 H 12.549 0.144 -8.672 1.00 . A A . 1 ALA HB2 1 1
1 10 1 1 1 ALA HB3 H 11.170 0.246 -7.576 1.00 . A A . 1 ALA HB3 1 1
1 11 1 1 1 ALA N N 14.430 0.175 -6.627 1.00 . A A . 1 ALA N 1 1
1 12 1 1 1 ALA O O 13.458 -2.242 -7.955 1.00 . A A . 1 ALA O 1 1
1 13 1 1 2 SER C C 10.899 -4.504 -6.363 1.00 . A A . 2 SER C 1 1
1 14 1 1 2 SER CA C 12.360 -4.044 -6.290 1.00 . A A . 2 SER CA 1 1
1 15 1 1 2 SER CB C 13.082 -4.775 -5.163 1.00 . A A . 2 SER CB 1 1
1 16 1 1 2 SER H H 12.045 -2.203 -5.231 1.00 . A A . 2 SER H 1 1
1 17 1 1 2 SER HA H 12.848 -4.268 -7.228 1.00 . A A . 2 SER HA 1 1
1 18 1 1 2 SER HB2 H 12.435 -5.523 -4.743 1.00 . A A . 2 SER HB2 1 1
1 19 1 1 2 SER HB3 H 13.963 -5.248 -5.560 1.00 . A A . 2 SER HB3 1 1
1 20 1 1 2 SER HG H 12.682 -3.313 -3.954 1.00 . A A . 2 SER HG 1 1
1 21 1 1 2 SER N N 12.421 -2.579 -6.049 1.00 . A A . 2 SER N 1 1
1 22 1 1 2 SER O O 10.599 -5.533 -6.933 1.00 . A A . 2 SER O 1 1
1 23 1 1 2 SER OG O 13.448 -3.845 -4.155 1.00 . A A . 2 SER OG 1 1
1 24 1 1 3 TYR C C 8.321 -5.666 -5.702 1.00 . A A . 3 TYR C 1 1
1 25 1 1 3 TYR CA C 8.537 -4.141 -5.888 1.00 . A A . 3 TYR CA 1 1
1 26 1 1 3 TYR CB C 7.954 -3.736 -7.239 1.00 . A A . 3 TYR CB 1 1
1 27 1 1 3 TYR CD1 C 9.864 -2.691 -8.451 1.00 . A A . 3 TYR CD1 1 1
1 28 1 1 3 TYR CD2 C 9.214 -4.952 -9.015 1.00 . A A . 3 TYR CD2 1 1
1 29 1 1 3 TYR CE1 C 10.886 -2.742 -9.398 1.00 . A A . 3 TYR CE1 1 1
1 30 1 1 3 TYR CE2 C 10.234 -5.012 -9.965 1.00 . A A . 3 TYR CE2 1 1
1 31 1 1 3 TYR CG C 9.034 -3.792 -8.267 1.00 . A A . 3 TYR CG 1 1
1 32 1 1 3 TYR CZ C 11.074 -3.905 -10.160 1.00 . A A . 3 TYR CZ 1 1
1 33 1 1 3 TYR H H 10.231 -2.892 -5.362 1.00 . A A . 3 TYR H 1 1
1 34 1 1 3 TYR HA H 8.010 -3.607 -5.138 1.00 . A A . 3 TYR HA 1 1
1 35 1 1 3 TYR HB2 H 7.160 -4.415 -7.510 1.00 . A A . 3 TYR HB2 1 1
1 36 1 1 3 TYR HB3 H 7.565 -2.729 -7.180 1.00 . A A . 3 TYR HB3 1 1
1 37 1 1 3 TYR HD1 H 9.715 -1.799 -7.856 1.00 . A A . 3 TYR HD1 1 1
1 38 1 1 3 TYR HD2 H 8.566 -5.804 -8.853 1.00 . A A . 3 TYR HD2 1 1
1 39 1 1 3 TYR HE1 H 11.530 -1.888 -9.538 1.00 . A A . 3 TYR HE1 1 1
1 40 1 1 3 TYR HE2 H 10.373 -5.910 -10.543 1.00 . A A . 3 TYR HE2 1 1
1 41 1 1 3 TYR HH H 11.706 -4.281 -11.923 1.00 . A A . 3 TYR HH 1 1
1 42 1 1 3 TYR N N 9.980 -3.745 -5.815 1.00 . A A . 3 TYR N 1 1
1 43 1 1 3 TYR O O 8.236 -6.394 -6.670 1.00 . A A . 3 TYR O 1 1
1 44 1 1 3 TYR OH O 12.084 -3.961 -11.099 1.00 . A A . 3 TYR OH 1 1
1 45 1 1 4 THR C C 7.249 -7.947 -2.958 1.00 . A A . 4 THR C 1 1
1 46 1 1 4 THR CA C 7.983 -7.620 -4.295 1.00 . A A . 4 THR CA 1 1
1 47 1 1 4 THR CB C 9.337 -8.333 -4.309 1.00 . A A . 4 THR CB 1 1
1 48 1 1 4 THR CG2 C 9.136 -9.829 -4.069 1.00 . A A . 4 THR CG2 1 1
1 49 1 1 4 THR H H 8.275 -5.610 -3.715 1.00 . A A . 4 THR H 1 1
1 50 1 1 4 THR HA H 7.399 -7.977 -5.113 1.00 . A A . 4 THR HA 1 1
1 51 1 1 4 THR HB H 9.965 -7.929 -3.530 1.00 . A A . 4 THR HB 1 1
1 52 1 1 4 THR HG1 H 10.852 -8.485 -5.521 1.00 . A A . 4 THR HG1 1 1
1 53 1 1 4 THR HG21 H 8.136 -10.110 -4.361 1.00 . A A . 4 THR HG21 1 1
1 54 1 1 4 THR HG22 H 9.852 -10.388 -4.655 1.00 . A A . 4 THR HG22 1 1
1 55 1 1 4 THR HG23 H 9.280 -10.049 -3.021 1.00 . A A . 4 THR HG23 1 1
1 56 1 1 4 THR N N 8.211 -6.167 -4.480 1.00 . A A . 4 THR N 1 1
1 57 1 1 4 THR O O 6.482 -8.878 -2.889 1.00 . A A . 4 THR O 1 1
1 58 1 1 4 THR OG1 O 9.960 -8.134 -5.571 1.00 . A A . 4 THR OG1 1 1
1 59 1 1 5 VAL C C 5.363 -7.880 -0.657 1.00 . A A . 5 VAL C 1 1
1 60 1 1 5 VAL CA C 6.868 -7.564 -0.558 1.00 . A A . 5 VAL CA 1 1
1 61 1 1 5 VAL CB C 7.114 -6.429 0.446 1.00 . A A . 5 VAL CB 1 1
1 62 1 1 5 VAL CG1 C 6.886 -6.926 1.869 1.00 . A A . 5 VAL CG1 1 1
1 63 1 1 5 VAL CG2 C 8.562 -5.976 0.328 1.00 . A A . 5 VAL CG2 1 1
1 64 1 1 5 VAL H H 8.130 -6.487 -1.954 1.00 . A A . 5 VAL H 1 1
1 65 1 1 5 VAL HA H 7.361 -8.447 -0.183 1.00 . A A . 5 VAL HA 1 1
1 66 1 1 5 VAL HB H 6.450 -5.605 0.245 1.00 . A A . 5 VAL HB 1 1
1 67 1 1 5 VAL HG11 H 7.027 -7.997 1.900 1.00 . A A . 5 VAL HG11 1 1
1 68 1 1 5 VAL HG12 H 7.590 -6.449 2.532 1.00 . A A . 5 VAL HG12 1 1
1 69 1 1 5 VAL HG13 H 5.880 -6.686 2.173 1.00 . A A . 5 VAL HG13 1 1
1 70 1 1 5 VAL HG21 H 9.094 -6.658 -0.315 1.00 . A A . 5 VAL HG21 1 1
1 71 1 1 5 VAL HG22 H 8.602 -4.981 -0.085 1.00 . A A . 5 VAL HG22 1 1
1 72 1 1 5 VAL HG23 H 9.020 -5.981 1.302 1.00 . A A . 5 VAL HG23 1 1
1 73 1 1 5 VAL N N 7.501 -7.226 -1.893 1.00 . A A . 5 VAL N 1 1
1 74 1 1 5 VAL O O 4.760 -7.821 -1.706 1.00 . A A . 5 VAL O 1 1
1 75 1 1 6 LYS C C 2.428 -7.441 0.196 1.00 . A A . 6 LYS C 1 1
1 76 1 1 6 LYS CA C 3.330 -8.638 0.496 1.00 . A A . 6 LYS CA 1 1
1 77 1 1 6 LYS CB C 2.988 -9.183 1.884 1.00 . A A . 6 LYS CB 1 1
1 78 1 1 6 LYS CD C 4.382 -11.245 2.102 1.00 . A A . 6 LYS CD 1 1
1 79 1 1 6 LYS CE C 4.305 -12.717 2.513 1.00 . A A . 6 LYS CE 1 1
1 80 1 1 6 LYS CG C 2.972 -10.712 1.843 1.00 . A A . 6 LYS CG 1 1
1 81 1 1 6 LYS H H 5.300 -8.327 1.276 1.00 . A A . 6 LYS H 1 1
1 82 1 1 6 LYS HA H 3.147 -9.410 -0.236 1.00 . A A . 6 LYS HA 1 1
1 83 1 1 6 LYS HB2 H 3.728 -8.846 2.595 1.00 . A A . 6 LYS HB2 1 1
1 84 1 1 6 LYS HB3 H 2.013 -8.824 2.180 1.00 . A A . 6 LYS HB3 1 1
1 85 1 1 6 LYS HD2 H 4.973 -11.152 1.200 1.00 . A A . 6 LYS HD2 1 1
1 86 1 1 6 LYS HD3 H 4.844 -10.676 2.894 1.00 . A A . 6 LYS HD3 1 1
1 87 1 1 6 LYS HE2 H 3.280 -12.974 2.734 1.00 . A A . 6 LYS HE2 1 1
1 88 1 1 6 LYS HE3 H 4.664 -13.335 1.703 1.00 . A A . 6 LYS HE3 1 1
1 89 1 1 6 LYS HG2 H 2.301 -11.085 2.603 1.00 . A A . 6 LYS HG2 1 1
1 90 1 1 6 LYS HG3 H 2.637 -11.043 0.872 1.00 . A A . 6 LYS HG3 1 1
1 91 1 1 6 LYS HZ1 H 5.692 -12.079 3.928 1.00 . A A . 6 LYS HZ1 1 1
1 92 1 1 6 LYS HZ2 H 4.536 -13.168 4.532 1.00 . A A . 6 LYS HZ2 1 1
1 93 1 1 6 LYS HZ3 H 5.802 -13.728 3.547 1.00 . A A . 6 LYS HZ3 1 1
1 94 1 1 6 LYS N N 4.775 -8.260 0.459 1.00 . A A . 6 LYS N 1 1
1 95 1 1 6 LYS NZ N 5.147 -12.940 3.721 1.00 . A A . 6 LYS NZ 1 1
1 96 1 1 6 LYS O O 2.367 -6.465 0.935 1.00 . A A . 6 LYS O 1 1
1 97 1 1 7 LEU C C -0.453 -6.980 -1.857 1.00 . A A . 7 LEU C 1 1
1 98 1 1 7 LEU CA C 0.812 -6.410 -1.252 1.00 . A A . 7 LEU CA 1 1
1 99 1 1 7 LEU CB C 1.505 -5.577 -2.314 1.00 . A A . 7 LEU CB 1 1
1 100 1 1 7 LEU CD1 C -0.503 -4.128 -2.531 1.00 . A A . 7 LEU CD1 1 1
1 101 1 1 7 LEU CD2 C 1.335 -3.584 -0.890 1.00 . A A . 7 LEU CD2 1 1
1 102 1 1 7 LEU CG C 1.000 -4.157 -2.261 1.00 . A A . 7 LEU CG 1 1
1 103 1 1 7 LEU H H 1.779 -8.307 -1.462 1.00 . A A . 7 LEU H 1 1
1 104 1 1 7 LEU HA H 0.582 -5.807 -0.392 1.00 . A A . 7 LEU HA 1 1
1 105 1 1 7 LEU HB2 H 2.566 -5.591 -2.141 1.00 . A A . 7 LEU HB2 1 1
1 106 1 1 7 LEU HB3 H 1.294 -5.988 -3.284 1.00 . A A . 7 LEU HB3 1 1
1 107 1 1 7 LEU HD11 H -0.738 -4.814 -3.328 1.00 . A A . 7 LEU HD11 1 1
1 108 1 1 7 LEU HD12 H -1.031 -4.414 -1.652 1.00 . A A . 7 LEU HD12 1 1
1 109 1 1 7 LEU HD13 H -0.796 -3.133 -2.822 1.00 . A A . 7 LEU HD13 1 1
1 110 1 1 7 LEU HD21 H 2.365 -3.810 -0.652 1.00 . A A . 7 LEU HD21 1 1
1 111 1 1 7 LEU HD22 H 1.194 -2.520 -0.901 1.00 . A A . 7 LEU HD22 1 1
1 112 1 1 7 LEU HD23 H 0.695 -4.025 -0.150 1.00 . A A . 7 LEU HD23 1 1
1 113 1 1 7 LEU HG H 1.484 -3.590 -3.011 1.00 . A A . 7 LEU HG 1 1
1 114 1 1 7 LEU N N 1.716 -7.517 -0.884 1.00 . A A . 7 LEU N 1 1
1 115 1 1 7 LEU O O -0.387 -7.852 -2.672 1.00 . A A . 7 LEU O 1 1
1 116 1 1 8 ILE C C -3.948 -6.045 -2.127 1.00 . A A . 8 ILE C 1 1
1 117 1 1 8 ILE CA C -2.806 -7.042 -2.186 1.00 . A A . 8 ILE CA 1 1
1 118 1 1 8 ILE CB C -3.213 -8.386 -1.575 1.00 . A A . 8 ILE CB 1 1
1 119 1 1 8 ILE CD1 C -1.223 -9.860 -1.238 1.00 . A A . 8 ILE CD1 1 1
1 120 1 1 8 ILE CG1 C -2.354 -9.483 -2.196 1.00 . A A . 8 ILE CG1 1 1
1 121 1 1 8 ILE CG2 C -4.685 -8.673 -1.901 1.00 . A A . 8 ILE CG2 1 1
1 122 1 1 8 ILE H H -1.675 -5.747 -0.879 1.00 . A A . 8 ILE H 1 1
1 123 1 1 8 ILE HA H -2.557 -7.201 -3.223 1.00 . A A . 8 ILE HA 1 1
1 124 1 1 8 ILE HB H -3.062 -8.366 -0.509 1.00 . A A . 8 ILE HB 1 1
1 125 1 1 8 ILE HD11 H -1.077 -9.064 -0.523 1.00 . A A . 8 ILE HD11 1 1
1 126 1 1 8 ILE HD12 H -1.480 -10.770 -0.718 1.00 . A A . 8 ILE HD12 1 1
1 127 1 1 8 ILE HD13 H -0.312 -10.010 -1.799 1.00 . A A . 8 ILE HD13 1 1
1 128 1 1 8 ILE HG12 H -2.968 -10.350 -2.392 1.00 . A A . 8 ILE HG12 1 1
1 129 1 1 8 ILE HG13 H -1.936 -9.123 -3.123 1.00 . A A . 8 ILE HG13 1 1
1 130 1 1 8 ILE HG21 H -5.301 -7.884 -1.497 1.00 . A A . 8 ILE HG21 1 1
1 131 1 1 8 ILE HG22 H -4.815 -8.711 -2.974 1.00 . A A . 8 ILE HG22 1 1
1 132 1 1 8 ILE HG23 H -4.977 -9.617 -1.468 1.00 . A A . 8 ILE HG23 1 1
1 133 1 1 8 ILE N N -1.603 -6.487 -1.521 1.00 . A A . 8 ILE N 1 1
1 134 1 1 8 ILE O O -4.196 -5.393 -1.123 1.00 . A A . 8 ILE O 1 1
1 135 1 1 9 THR C C -6.787 -5.584 -4.241 1.00 . A A . 9 THR C 1 1
1 136 1 1 9 THR CA C -5.734 -4.948 -3.335 1.00 . A A . 9 THR CA 1 1
1 137 1 1 9 THR CB C -5.171 -3.680 -3.972 1.00 . A A . 9 THR CB 1 1
1 138 1 1 9 THR CG2 C -3.671 -3.560 -3.694 1.00 . A A . 9 THR CG2 1 1
1 139 1 1 9 THR H H -4.359 -6.426 -4.032 1.00 . A A . 9 THR H 1 1
1 140 1 1 9 THR HA H -6.145 -4.733 -2.360 1.00 . A A . 9 THR HA 1 1
1 141 1 1 9 THR HB H -5.670 -2.843 -3.560 1.00 . A A . 9 THR HB 1 1
1 142 1 1 9 THR HG1 H -4.792 -4.375 -5.744 1.00 . A A . 9 THR HG1 1 1
1 143 1 1 9 THR HG21 H -3.178 -4.480 -3.975 1.00 . A A . 9 THR HG21 1 1
1 144 1 1 9 THR HG22 H -3.266 -2.748 -4.273 1.00 . A A . 9 THR HG22 1 1
1 145 1 1 9 THR HG23 H -3.512 -3.372 -2.644 1.00 . A A . 9 THR HG23 1 1
1 146 1 1 9 THR N N -4.619 -5.907 -3.233 1.00 . A A . 9 THR N 1 1
1 147 1 1 9 THR O O -6.677 -6.764 -4.527 1.00 . A A . 9 THR O 1 1
1 148 1 1 9 THR OG1 O -5.378 -3.712 -5.374 1.00 . A A . 9 THR OG1 1 1
1 149 1 1 10 PRO C C -7.958 -6.248 -6.664 1.00 . A A . 10 PRO C 1 1
1 150 1 1 10 PRO CA C -8.729 -5.397 -5.652 1.00 . A A . 10 PRO CA 1 1
1 151 1 1 10 PRO CB C -9.429 -4.194 -6.288 1.00 . A A . 10 PRO CB 1 1
1 152 1 1 10 PRO CD C -7.976 -3.400 -4.439 1.00 . A A . 10 PRO CD 1 1
1 153 1 1 10 PRO CG C -9.063 -2.961 -5.432 1.00 . A A . 10 PRO CG 1 1
1 154 1 1 10 PRO HA H -9.428 -5.986 -5.101 1.00 . A A . 10 PRO HA 1 1
1 155 1 1 10 PRO HB2 H -9.084 -4.059 -7.305 1.00 . A A . 10 PRO HB2 1 1
1 156 1 1 10 PRO HB3 H -10.494 -4.338 -6.272 1.00 . A A . 10 PRO HB3 1 1
1 157 1 1 10 PRO HD2 H -7.095 -2.831 -4.607 1.00 . A A . 10 PRO HD2 1 1
1 158 1 1 10 PRO HD3 H -8.327 -3.286 -3.426 1.00 . A A . 10 PRO HD3 1 1
1 159 1 1 10 PRO HG2 H -8.687 -2.171 -6.067 1.00 . A A . 10 PRO HG2 1 1
1 160 1 1 10 PRO HG3 H -9.930 -2.618 -4.891 1.00 . A A . 10 PRO HG3 1 1
1 161 1 1 10 PRO N N -7.756 -4.824 -4.734 1.00 . A A . 10 PRO N 1 1
1 162 1 1 10 PRO O O -8.443 -7.230 -7.189 1.00 . A A . 10 PRO O 1 1
1 163 1 1 11 ASP C C -5.093 -7.654 -6.804 1.00 . A A . 11 ASP C 1 1
1 164 1 1 11 ASP CA C -5.816 -6.677 -7.727 1.00 . A A . 11 ASP CA 1 1
1 165 1 1 11 ASP CB C -4.809 -5.749 -8.411 1.00 . A A . 11 ASP CB 1 1
1 166 1 1 11 ASP CG C -4.056 -6.520 -9.496 1.00 . A A . 11 ASP CG 1 1
1 167 1 1 11 ASP H H -6.347 -5.143 -6.370 1.00 . A A . 11 ASP H 1 1
1 168 1 1 11 ASP HA H -6.392 -7.219 -8.465 1.00 . A A . 11 ASP HA 1 1
1 169 1 1 11 ASP HB2 H -5.334 -4.917 -8.858 1.00 . A A . 11 ASP HB2 1 1
1 170 1 1 11 ASP HB3 H -4.106 -5.379 -7.680 1.00 . A A . 11 ASP HB3 1 1
1 171 1 1 11 ASP N N -6.711 -5.897 -6.856 1.00 . A A . 11 ASP N 1 1
1 172 1 1 11 ASP O O -3.904 -7.559 -6.575 1.00 . A A . 11 ASP O 1 1
1 173 1 1 11 ASP OD1 O -3.383 -7.478 -9.155 1.00 . A A . 11 ASP OD1 1 1
1 174 1 1 11 ASP OD2 O -4.163 -6.138 -10.650 1.00 . A A . 11 ASP OD2 1 1
1 175 1 1 12 GLY C C -3.837 -9.497 -5.042 1.00 . A A . 12 GLY C 1 1
1 176 1 1 12 GLY CA C -5.350 -9.580 -5.278 1.00 . A A . 12 GLY CA 1 1
1 177 1 1 12 GLY H H -6.813 -8.519 -6.431 1.00 . A A . 12 GLY H 1 1
1 178 1 1 12 GLY HA2 H -5.855 -9.453 -4.333 1.00 . A A . 12 GLY HA2 1 1
1 179 1 1 12 GLY HA3 H -5.587 -10.559 -5.669 1.00 . A A . 12 GLY HA3 1 1
1 180 1 1 12 GLY N N -5.856 -8.548 -6.240 1.00 . A A . 12 GLY N 1 1
1 181 1 1 12 GLY O O -3.324 -8.514 -4.558 1.00 . A A . 12 GLY O 1 1
1 182 1 1 13 GLU C C -0.918 -9.421 -5.740 1.00 . A A . 13 GLU C 1 1
1 183 1 1 13 GLU CA C -1.661 -10.607 -5.110 1.00 . A A . 13 GLU CA 1 1
1 184 1 1 13 GLU CB C -1.110 -11.909 -5.693 1.00 . A A . 13 GLU CB 1 1
1 185 1 1 13 GLU CD C 0.683 -12.425 -4.030 1.00 . A A . 13 GLU CD 1 1
1 186 1 1 13 GLU CG C 0.401 -11.971 -5.464 1.00 . A A . 13 GLU CG 1 1
1 187 1 1 13 GLU H H -3.594 -11.345 -5.704 1.00 . A A . 13 GLU H 1 1
1 188 1 1 13 GLU HA H -1.481 -10.604 -4.048 1.00 . A A . 13 GLU HA 1 1
1 189 1 1 13 GLU HB2 H -1.583 -12.750 -5.208 1.00 . A A . 13 GLU HB2 1 1
1 190 1 1 13 GLU HB3 H -1.313 -11.943 -6.753 1.00 . A A . 13 GLU HB3 1 1
1 191 1 1 13 GLU HG2 H 0.842 -12.673 -6.158 1.00 . A A . 13 GLU HG2 1 1
1 192 1 1 13 GLU HG3 H 0.830 -10.993 -5.621 1.00 . A A . 13 GLU HG3 1 1
1 193 1 1 13 GLU N N -3.137 -10.555 -5.346 1.00 . A A . 13 GLU N 1 1
1 194 1 1 13 GLU O O -1.045 -9.138 -6.915 1.00 . A A . 13 GLU O 1 1
1 195 1 1 13 GLU OE1 O -0.198 -13.019 -3.432 1.00 . A A . 13 GLU OE1 1 1
1 196 1 1 13 GLU OE2 O 1.778 -12.170 -3.554 1.00 . A A . 13 GLU OE2 1 1
1 197 1 1 14 SER C C 2.047 -7.673 -4.708 1.00 . A A . 14 SER C 1 1
1 198 1 1 14 SER CA C 0.698 -7.617 -5.444 1.00 . A A . 14 SER CA 1 1
1 199 1 1 14 SER CB C -0.030 -6.311 -5.129 1.00 . A A . 14 SER CB 1 1
1 200 1 1 14 SER H H -0.015 -9.021 -4.022 1.00 . A A . 14 SER H 1 1
1 201 1 1 14 SER HA H 0.853 -7.710 -6.509 1.00 . A A . 14 SER HA 1 1
1 202 1 1 14 SER HB2 H -0.827 -6.160 -5.835 1.00 . A A . 14 SER HB2 1 1
1 203 1 1 14 SER HB3 H -0.444 -6.370 -4.132 1.00 . A A . 14 SER HB3 1 1
1 204 1 1 14 SER HG H 1.455 -5.381 -5.974 1.00 . A A . 14 SER HG 1 1
1 205 1 1 14 SER N N -0.109 -8.755 -4.953 1.00 . A A . 14 SER N 1 1
1 206 1 1 14 SER O O 2.102 -7.846 -3.507 1.00 . A A . 14 SER O 1 1
1 207 1 1 14 SER OG O 0.887 -5.229 -5.215 1.00 . A A . 14 SER OG 1 1
1 208 1 1 15 SER C C 5.183 -6.310 -4.815 1.00 . A A . 15 SER C 1 1
1 209 1 1 15 SER CA C 4.472 -7.672 -4.772 1.00 . A A . 15 SER CA 1 1
1 210 1 1 15 SER CB C 5.285 -8.704 -5.543 1.00 . A A . 15 SER CB 1 1
1 211 1 1 15 SER H H 3.074 -7.482 -6.381 1.00 . A A . 15 SER H 1 1
1 212 1 1 15 SER HA H 4.360 -7.993 -3.749 1.00 . A A . 15 SER HA 1 1
1 213 1 1 15 SER HB2 H 5.952 -8.207 -6.225 1.00 . A A . 15 SER HB2 1 1
1 214 1 1 15 SER HB3 H 5.855 -9.296 -4.850 1.00 . A A . 15 SER HB3 1 1
1 215 1 1 15 SER HG H 3.685 -9.802 -5.699 1.00 . A A . 15 SER HG 1 1
1 216 1 1 15 SER N N 3.133 -7.579 -5.418 1.00 . A A . 15 SER N 1 1
1 217 1 1 15 SER O O 5.341 -5.720 -5.866 1.00 . A A . 15 SER O 1 1
1 218 1 1 15 SER OG O 4.401 -9.538 -6.281 1.00 . A A . 15 SER OG 1 1
1 219 1 1 16 ILE C C 7.333 -4.361 -2.536 1.00 . A A . 16 ILE C 1 1
1 220 1 1 16 ILE CA C 6.285 -4.465 -3.675 1.00 . A A . 16 ILE CA 1 1
1 221 1 1 16 ILE CB C 5.271 -3.352 -3.517 1.00 . A A . 16 ILE CB 1 1
1 222 1 1 16 ILE CD1 C 3.180 -4.443 -4.365 1.00 . A A . 16 ILE CD1 1 1
1 223 1 1 16 ILE CG1 C 3.932 -3.958 -3.122 1.00 . A A . 16 ILE CG1 1 1
1 224 1 1 16 ILE CG2 C 5.158 -2.553 -4.830 1.00 . A A . 16 ILE CG2 1 1
1 225 1 1 16 ILE H H 5.470 -6.267 -2.845 1.00 . A A . 16 ILE H 1 1
1 226 1 1 16 ILE HA H 6.748 -4.355 -4.600 1.00 . A A . 16 ILE HA 1 1
1 227 1 1 16 ILE HB H 5.619 -2.694 -2.740 1.00 . A A . 16 ILE HB 1 1
1 228 1 1 16 ILE HD11 H 3.849 -4.434 -5.211 1.00 . A A . 16 ILE HD11 1 1
1 229 1 1 16 ILE HD12 H 2.825 -5.447 -4.204 1.00 . A A . 16 ILE HD12 1 1
1 230 1 1 16 ILE HD13 H 2.346 -3.789 -4.564 1.00 . A A . 16 ILE HD13 1 1
1 231 1 1 16 ILE HG12 H 4.122 -4.795 -2.471 1.00 . A A . 16 ILE HG12 1 1
1 232 1 1 16 ILE HG13 H 3.352 -3.230 -2.608 1.00 . A A . 16 ILE HG13 1 1
1 233 1 1 16 ILE HG21 H 6.106 -2.572 -5.341 1.00 . A A . 16 ILE HG21 1 1
1 234 1 1 16 ILE HG22 H 4.406 -2.984 -5.468 1.00 . A A . 16 ILE HG22 1 1
1 235 1 1 16 ILE HG23 H 4.893 -1.531 -4.603 1.00 . A A . 16 ILE HG23 1 1
1 236 1 1 16 ILE N N 5.606 -5.794 -3.678 1.00 . A A . 16 ILE N 1 1
1 237 1 1 16 ILE O O 7.081 -4.758 -1.440 1.00 . A A . 16 ILE O 1 1
1 238 1 1 17 GLU C C 10.567 -2.659 -2.302 1.00 . A A . 17 GLU C 1 1
1 239 1 1 17 GLU CA C 9.595 -3.717 -1.795 1.00 . A A . 17 GLU CA 1 1
1 240 1 1 17 GLU CB C 10.329 -5.065 -1.631 1.00 . A A . 17 GLU CB 1 1
1 241 1 1 17 GLU CD C 12.793 -5.157 -2.048 1.00 . A A . 17 GLU CD 1 1
1 242 1 1 17 GLU CG C 11.413 -5.254 -2.700 1.00 . A A . 17 GLU CG 1 1
1 243 1 1 17 GLU H H 8.708 -3.543 -3.703 1.00 . A A . 17 GLU H 1 1
1 244 1 1 17 GLU HA H 9.170 -3.406 -0.861 1.00 . A A . 17 GLU HA 1 1
1 245 1 1 17 GLU HB2 H 10.783 -5.109 -0.653 1.00 . A A . 17 GLU HB2 1 1
1 246 1 1 17 GLU HB3 H 9.622 -5.858 -1.726 1.00 . A A . 17 GLU HB3 1 1
1 247 1 1 17 GLU HG2 H 11.299 -6.226 -3.156 1.00 . A A . 17 GLU HG2 1 1
1 248 1 1 17 GLU HG3 H 11.318 -4.492 -3.457 1.00 . A A . 17 GLU HG3 1 1
1 249 1 1 17 GLU N N 8.520 -3.844 -2.814 1.00 . A A . 17 GLU N 1 1
1 250 1 1 17 GLU O O 11.765 -2.809 -2.202 1.00 . A A . 17 GLU O 1 1
1 251 1 1 17 GLU OE1 O 12.883 -4.568 -0.983 1.00 . A A . 17 GLU OE1 1 1
1 252 1 1 17 GLU OE2 O 13.736 -5.674 -2.624 1.00 . A A . 17 GLU OE2 1 1
1 253 1 1 18 CYS C C 12.263 -0.498 -2.887 1.00 . A A . 18 CYS C 1 1
1 254 1 1 18 CYS CA C 10.857 -0.526 -3.468 1.00 . A A . 18 CYS CA 1 1
1 255 1 1 18 CYS CB C 10.180 0.820 -3.215 1.00 . A A . 18 CYS CB 1 1
1 256 1 1 18 CYS H H 9.059 -1.563 -2.949 1.00 . A A . 18 CYS H 1 1
1 257 1 1 18 CYS HA H 10.927 -0.680 -4.531 1.00 . A A . 18 CYS HA 1 1
1 258 1 1 18 CYS HB2 H 9.121 0.668 -3.063 1.00 . A A . 18 CYS HB2 1 1
1 259 1 1 18 CYS HB3 H 10.609 1.281 -2.338 1.00 . A A . 18 CYS HB3 1 1
1 260 1 1 18 CYS HG H 11.297 2.314 -4.554 1.00 . A A . 18 CYS HG 1 1
1 261 1 1 18 CYS N N 10.030 -1.617 -2.879 1.00 . A A . 18 CYS N 1 1
1 262 1 1 18 CYS O O 13.227 -0.355 -3.612 1.00 . A A . 18 CYS O 1 1
1 263 1 1 18 CYS SG S 10.440 1.892 -4.651 1.00 . A A . 18 CYS SG 1 1
1 264 1 1 19 SER C C 14.467 0.627 -1.653 1.00 . A A . 19 SER C 1 1
1 265 1 1 19 SER CA C 13.766 -0.551 -0.996 1.00 . A A . 19 SER CA 1 1
1 266 1 1 19 SER CB C 14.523 -1.844 -1.304 1.00 . A A . 19 SER CB 1 1
1 267 1 1 19 SER H H 11.610 -0.708 -1.024 1.00 . A A . 19 SER H 1 1
1 268 1 1 19 SER HA H 13.705 -0.397 0.071 1.00 . A A . 19 SER HA 1 1
1 269 1 1 19 SER HB2 H 13.828 -2.607 -1.613 1.00 . A A . 19 SER HB2 1 1
1 270 1 1 19 SER HB3 H 15.232 -1.662 -2.102 1.00 . A A . 19 SER HB3 1 1
1 271 1 1 19 SER HG H 14.566 -2.683 0.451 1.00 . A A . 19 SER HG 1 1
1 272 1 1 19 SER N N 12.398 -0.609 -1.591 1.00 . A A . 19 SER N 1 1
1 273 1 1 19 SER O O 15.666 0.642 -1.850 1.00 . A A . 19 SER O 1 1
1 274 1 1 19 SER OG O 15.208 -2.278 -0.136 1.00 . A A . 19 SER OG 1 1
1 275 1 1 20 ASP C C 13.152 3.854 -2.798 1.00 . A A . 20 ASP C 1 1
1 276 1 1 20 ASP CA C 14.230 2.768 -2.751 1.00 . A A . 20 ASP CA 1 1
1 277 1 1 20 ASP CB C 14.575 2.327 -4.177 1.00 . A A . 20 ASP CB 1 1
1 278 1 1 20 ASP CG C 15.748 3.153 -4.709 1.00 . A A . 20 ASP CG 1 1
1 279 1 1 20 ASP H H 12.719 1.527 -1.899 1.00 . A A . 20 ASP H 1 1
1 280 1 1 20 ASP HA H 15.109 3.132 -2.242 1.00 . A A . 20 ASP HA 1 1
1 281 1 1 20 ASP HB2 H 14.840 1.275 -4.171 1.00 . A A . 20 ASP HB2 1 1
1 282 1 1 20 ASP HB3 H 13.712 2.467 -4.816 1.00 . A A . 20 ASP HB3 1 1
1 283 1 1 20 ASP N N 13.685 1.595 -2.044 1.00 . A A . 20 ASP N 1 1
1 284 1 1 20 ASP O O 12.762 4.315 -3.852 1.00 . A A . 20 ASP O 1 1
1 285 1 1 20 ASP OD1 O 16.876 2.819 -4.387 1.00 . A A . 20 ASP OD1 1 1
1 286 1 1 20 ASP OD2 O 15.498 4.106 -5.428 1.00 . A A . 20 ASP OD2 1 1
1 287 1 1 21 ASP C C 10.284 4.642 -2.120 1.00 . A A . 21 ASP C 1 1
1 288 1 1 21 ASP CA C 11.580 5.285 -1.637 1.00 . A A . 21 ASP CA 1 1
1 289 1 1 21 ASP CB C 11.961 6.435 -2.572 1.00 . A A . 21 ASP CB 1 1
1 290 1 1 21 ASP CG C 13.461 6.715 -2.451 1.00 . A A . 21 ASP CG 1 1
1 291 1 1 21 ASP H H 12.972 3.852 -0.829 1.00 . A A . 21 ASP H 1 1
1 292 1 1 21 ASP HA H 11.446 5.660 -0.632 1.00 . A A . 21 ASP HA 1 1
1 293 1 1 21 ASP HB2 H 11.726 6.163 -3.590 1.00 . A A . 21 ASP HB2 1 1
1 294 1 1 21 ASP HB3 H 11.409 7.321 -2.297 1.00 . A A . 21 ASP HB3 1 1
1 295 1 1 21 ASP N N 12.653 4.249 -1.661 1.00 . A A . 21 ASP N 1 1
1 296 1 1 21 ASP O O 10.189 4.224 -3.255 1.00 . A A . 21 ASP O 1 1
1 297 1 1 21 ASP OD1 O 13.838 7.433 -1.540 1.00 . A A . 21 ASP OD1 1 1
1 298 1 1 21 ASP OD2 O 14.206 6.204 -3.271 1.00 . A A . 21 ASP OD2 1 1
1 299 1 1 22 THR C C 7.674 4.418 -3.123 1.00 . A A . 22 THR C 1 1
1 300 1 1 22 THR CA C 8.011 3.918 -1.718 1.00 . A A . 22 THR CA 1 1
1 301 1 1 22 THR CB C 6.895 4.305 -0.750 1.00 . A A . 22 THR CB 1 1
1 302 1 1 22 THR CG2 C 7.229 3.782 0.646 1.00 . A A . 22 THR CG2 1 1
1 303 1 1 22 THR H H 9.375 4.889 -0.358 1.00 . A A . 22 THR H 1 1
1 304 1 1 22 THR HA H 8.126 2.847 -1.731 1.00 . A A . 22 THR HA 1 1
1 305 1 1 22 THR HB H 5.966 3.869 -1.080 1.00 . A A . 22 THR HB 1 1
1 306 1 1 22 THR HG1 H 7.471 6.060 -0.146 1.00 . A A . 22 THR HG1 1 1
1 307 1 1 22 THR HG21 H 8.042 3.075 0.580 1.00 . A A . 22 THR HG21 1 1
1 308 1 1 22 THR HG22 H 7.518 4.606 1.281 1.00 . A A . 22 THR HG22 1 1
1 309 1 1 22 THR HG23 H 6.362 3.292 1.064 1.00 . A A . 22 THR HG23 1 1
1 310 1 1 22 THR N N 9.287 4.548 -1.277 1.00 . A A . 22 THR N 1 1
1 311 1 1 22 THR O O 7.298 5.560 -3.305 1.00 . A A . 22 THR O 1 1
1 312 1 1 22 THR OG1 O 6.778 5.720 -0.716 1.00 . A A . 22 THR OG1 1 1
1 313 1 1 23 TYR C C 6.267 4.892 -5.523 1.00 . A A . 23 TYR C 1 1
1 314 1 1 23 TYR CA C 7.547 4.054 -5.523 1.00 . A A . 23 TYR CA 1 1
1 315 1 1 23 TYR CB C 7.385 2.886 -6.512 1.00 . A A . 23 TYR CB 1 1
1 316 1 1 23 TYR CD1 C 6.507 1.379 -4.722 1.00 . A A . 23 TYR CD1 1 1
1 317 1 1 23 TYR CD2 C 8.252 0.554 -6.181 1.00 . A A . 23 TYR CD2 1 1
1 318 1 1 23 TYR CE1 C 6.496 0.170 -4.040 1.00 . A A . 23 TYR CE1 1 1
1 319 1 1 23 TYR CE2 C 8.243 -0.662 -5.498 1.00 . A A . 23 TYR CE2 1 1
1 320 1 1 23 TYR CG C 7.382 1.573 -5.787 1.00 . A A . 23 TYR CG 1 1
1 321 1 1 23 TYR CZ C 7.364 -0.849 -4.426 1.00 . A A . 23 TYR CZ 1 1
1 322 1 1 23 TYR H H 8.167 2.672 -3.949 1.00 . A A . 23 TYR H 1 1
1 323 1 1 23 TYR HA H 8.366 4.675 -5.847 1.00 . A A . 23 TYR HA 1 1
1 324 1 1 23 TYR HB2 H 6.453 2.998 -7.045 1.00 . A A . 23 TYR HB2 1 1
1 325 1 1 23 TYR HB3 H 8.202 2.902 -7.219 1.00 . A A . 23 TYR HB3 1 1
1 326 1 1 23 TYR HD1 H 5.852 2.173 -4.421 1.00 . A A . 23 TYR HD1 1 1
1 327 1 1 23 TYR HD2 H 8.928 0.706 -7.009 1.00 . A A . 23 TYR HD2 1 1
1 328 1 1 23 TYR HE1 H 5.817 0.019 -3.214 1.00 . A A . 23 TYR HE1 1 1
1 329 1 1 23 TYR HE2 H 8.913 -1.456 -5.793 1.00 . A A . 23 TYR HE2 1 1
1 330 1 1 23 TYR HH H 7.249 -1.843 -2.817 1.00 . A A . 23 TYR HH 1 1
1 331 1 1 23 TYR N N 7.836 3.585 -4.122 1.00 . A A . 23 TYR N 1 1
1 332 1 1 23 TYR O O 5.334 4.623 -4.792 1.00 . A A . 23 TYR O 1 1
1 333 1 1 23 TYR OH O 7.353 -2.035 -3.751 1.00 . A A . 23 TYR OH 1 1
1 334 1 1 24 ILE C C 3.750 6.000 -6.613 1.00 . A A . 24 ILE C 1 1
1 335 1 1 24 ILE CA C 5.032 6.805 -6.363 1.00 . A A . 24 ILE CA 1 1
1 336 1 1 24 ILE CB C 5.208 7.837 -7.479 1.00 . A A . 24 ILE CB 1 1
1 337 1 1 24 ILE CD1 C 7.655 8.277 -7.731 1.00 . A A . 24 ILE CD1 1 1
1 338 1 1 24 ILE CG1 C 6.351 8.790 -7.121 1.00 . A A . 24 ILE CG1 1 1
1 339 1 1 24 ILE CG2 C 3.912 8.636 -7.643 1.00 . A A . 24 ILE CG2 1 1
1 340 1 1 24 ILE H H 7.004 6.122 -6.889 1.00 . A A . 24 ILE H 1 1
1 341 1 1 24 ILE HA H 4.945 7.321 -5.420 1.00 . A A . 24 ILE HA 1 1
1 342 1 1 24 ILE HB H 5.436 7.330 -8.406 1.00 . A A . 24 ILE HB 1 1
1 343 1 1 24 ILE HD11 H 7.431 7.617 -8.557 1.00 . A A . 24 ILE HD11 1 1
1 344 1 1 24 ILE HD12 H 8.241 9.111 -8.086 1.00 . A A . 24 ILE HD12 1 1
1 345 1 1 24 ILE HD13 H 8.215 7.737 -6.981 1.00 . A A . 24 ILE HD13 1 1
1 346 1 1 24 ILE HG12 H 6.133 9.775 -7.508 1.00 . A A . 24 ILE HG12 1 1
1 347 1 1 24 ILE HG13 H 6.454 8.840 -6.046 1.00 . A A . 24 ILE HG13 1 1
1 348 1 1 24 ILE HG21 H 3.153 8.227 -6.994 1.00 . A A . 24 ILE HG21 1 1
1 349 1 1 24 ILE HG22 H 4.092 9.668 -7.381 1.00 . A A . 24 ILE HG22 1 1
1 350 1 1 24 ILE HG23 H 3.581 8.577 -8.669 1.00 . A A . 24 ILE HG23 1 1
1 351 1 1 24 ILE N N 6.230 5.919 -6.323 1.00 . A A . 24 ILE N 1 1
1 352 1 1 24 ILE O O 3.096 5.552 -5.693 1.00 . A A . 24 ILE O 1 1
1 353 1 1 25 LEU C C 2.193 3.636 -7.788 1.00 . A A . 25 LEU C 1 1
1 354 1 1 25 LEU CA C 2.104 5.124 -8.173 1.00 . A A . 25 LEU CA 1 1
1 355 1 1 25 LEU CB C 1.836 5.241 -9.676 1.00 . A A . 25 LEU CB 1 1
1 356 1 1 25 LEU CD1 C -0.418 5.638 -10.679 1.00 . A A . 25 LEU CD1 1 1
1 357 1 1 25 LEU CD2 C 0.703 3.423 -10.959 1.00 . A A . 25 LEU CD2 1 1
1 358 1 1 25 LEU CG C 0.486 4.603 -10.007 1.00 . A A . 25 LEU CG 1 1
1 359 1 1 25 LEU H H 3.896 6.249 -8.576 1.00 . A A . 25 LEU H 1 1
1 360 1 1 25 LEU HA H 1.285 5.590 -7.633 1.00 . A A . 25 LEU HA 1 1
1 361 1 1 25 LEU HB2 H 1.820 6.283 -9.958 1.00 . A A . 25 LEU HB2 1 1
1 362 1 1 25 LEU HB3 H 2.616 4.730 -10.220 1.00 . A A . 25 LEU HB3 1 1
1 363 1 1 25 LEU HD11 H 0.134 6.554 -10.831 1.00 . A A . 25 LEU HD11 1 1
1 364 1 1 25 LEU HD12 H -0.756 5.259 -11.631 1.00 . A A . 25 LEU HD12 1 1
1 365 1 1 25 LEU HD13 H -1.272 5.834 -10.047 1.00 . A A . 25 LEU HD13 1 1
1 366 1 1 25 LEU HD21 H 1.762 3.248 -11.081 1.00 . A A . 25 LEU HD21 1 1
1 367 1 1 25 LEU HD22 H 0.237 2.539 -10.550 1.00 . A A . 25 LEU HD22 1 1
1 368 1 1 25 LEU HD23 H 0.263 3.650 -11.920 1.00 . A A . 25 LEU HD23 1 1
1 369 1 1 25 LEU HG H 0.019 4.253 -9.097 1.00 . A A . 25 LEU HG 1 1
1 370 1 1 25 LEU N N 3.368 5.852 -7.853 1.00 . A A . 25 LEU N 1 1
1 371 1 1 25 LEU O O 1.235 3.060 -7.320 1.00 . A A . 25 LEU O 1 1
1 372 1 1 26 ASP C C 2.956 1.317 -6.201 1.00 . A A . 26 ASP C 1 1
1 373 1 1 26 ASP CA C 3.418 1.541 -7.647 1.00 . A A . 26 ASP CA 1 1
1 374 1 1 26 ASP CB C 4.872 1.085 -7.789 1.00 . A A . 26 ASP CB 1 1
1 375 1 1 26 ASP CG C 4.929 -0.194 -8.628 1.00 . A A . 26 ASP CG 1 1
1 376 1 1 26 ASP H H 4.080 3.464 -8.391 1.00 . A A . 26 ASP H 1 1
1 377 1 1 26 ASP HA H 2.795 0.967 -8.316 1.00 . A A . 26 ASP HA 1 1
1 378 1 1 26 ASP HB2 H 5.446 1.861 -8.274 1.00 . A A . 26 ASP HB2 1 1
1 379 1 1 26 ASP HB3 H 5.285 0.890 -6.811 1.00 . A A . 26 ASP HB3 1 1
1 380 1 1 26 ASP N N 3.314 2.996 -7.996 1.00 . A A . 26 ASP N 1 1
1 381 1 1 26 ASP O O 1.935 0.695 -5.930 1.00 . A A . 26 ASP O 1 1
1 382 1 1 26 ASP OD1 O 4.149 -0.301 -9.561 1.00 . A A . 26 ASP OD1 1 1
1 383 1 1 26 ASP OD2 O 5.749 -1.043 -8.323 1.00 . A A . 26 ASP OD2 1 1
1 384 1 1 27 ALA C C 1.829 2.202 -3.756 1.00 . A A . 27 ALA C 1 1
1 385 1 1 27 ALA CA C 3.251 1.651 -3.855 1.00 . A A . 27 ALA CA 1 1
1 386 1 1 27 ALA CB C 4.196 2.387 -2.901 1.00 . A A . 27 ALA CB 1 1
1 387 1 1 27 ALA H H 4.487 2.336 -5.474 1.00 . A A . 27 ALA H 1 1
1 388 1 1 27 ALA HA H 3.247 0.596 -3.618 1.00 . A A . 27 ALA HA 1 1
1 389 1 1 27 ALA HB1 H 4.581 3.271 -3.383 1.00 . A A . 27 ALA HB1 1 1
1 390 1 1 27 ALA HB2 H 3.665 2.664 -2.005 1.00 . A A . 27 ALA HB2 1 1
1 391 1 1 27 ALA HB3 H 5.021 1.733 -2.642 1.00 . A A . 27 ALA HB3 1 1
1 392 1 1 27 ALA N N 3.683 1.830 -5.258 1.00 . A A . 27 ALA N 1 1
1 393 1 1 27 ALA O O 1.083 1.870 -2.860 1.00 . A A . 27 ALA O 1 1
1 394 1 1 28 ALA C C -0.909 2.414 -4.875 1.00 . A A . 28 ALA C 1 1
1 395 1 1 28 ALA CA C 0.060 3.575 -4.679 1.00 . A A . 28 ALA CA 1 1
1 396 1 1 28 ALA CB C -0.121 4.612 -5.786 1.00 . A A . 28 ALA CB 1 1
1 397 1 1 28 ALA H H 2.046 3.280 -5.415 1.00 . A A . 28 ALA H 1 1
1 398 1 1 28 ALA HA H -0.117 4.027 -3.725 1.00 . A A . 28 ALA HA 1 1
1 399 1 1 28 ALA HB1 H 0.815 5.121 -5.953 1.00 . A A . 28 ALA HB1 1 1
1 400 1 1 28 ALA HB2 H -0.434 4.121 -6.696 1.00 . A A . 28 ALA HB2 1 1
1 401 1 1 28 ALA HB3 H -0.871 5.329 -5.488 1.00 . A A . 28 ALA HB3 1 1
1 402 1 1 28 ALA N N 1.439 3.032 -4.697 1.00 . A A . 28 ALA N 1 1
1 403 1 1 28 ALA O O -1.903 2.314 -4.191 1.00 . A A . 28 ALA O 1 1
1 404 1 1 29 GLU C C -1.770 -0.204 -4.552 1.00 . A A . 29 GLU C 1 1
1 405 1 1 29 GLU CA C -1.500 0.322 -5.942 1.00 . A A . 29 GLU CA 1 1
1 406 1 1 29 GLU CB C -0.794 -0.778 -6.737 1.00 . A A . 29 GLU CB 1 1
1 407 1 1 29 GLU CD C -1.163 -0.918 -9.202 1.00 . A A . 29 GLU CD 1 1
1 408 1 1 29 GLU CG C -0.359 -0.231 -8.097 1.00 . A A . 29 GLU CG 1 1
1 409 1 1 29 GLU H H 0.206 1.582 -6.300 1.00 . A A . 29 GLU H 1 1
1 410 1 1 29 GLU HA H -2.422 0.603 -6.422 1.00 . A A . 29 GLU HA 1 1
1 411 1 1 29 GLU HB2 H 0.073 -1.118 -6.183 1.00 . A A . 29 GLU HB2 1 1
1 412 1 1 29 GLU HB3 H -1.471 -1.609 -6.880 1.00 . A A . 29 GLU HB3 1 1
1 413 1 1 29 GLU HG2 H -0.537 0.834 -8.130 1.00 . A A . 29 GLU HG2 1 1
1 414 1 1 29 GLU HG3 H 0.692 -0.426 -8.244 1.00 . A A . 29 GLU HG3 1 1
1 415 1 1 29 GLU N N -0.609 1.504 -5.775 1.00 . A A . 29 GLU N 1 1
1 416 1 1 29 GLU O O -2.814 -0.743 -4.253 1.00 . A A . 29 GLU O 1 1
1 417 1 1 29 GLU OE1 O -2.348 -1.126 -9.003 1.00 . A A . 29 GLU OE1 1 1
1 418 1 1 29 GLU OE2 O -0.579 -1.225 -10.229 1.00 . A A . 29 GLU OE2 1 1
1 419 1 1 30 GLU C C -1.992 0.496 -1.665 1.00 . A A . 30 GLU C 1 1
1 420 1 1 30 GLU CA C -0.989 -0.445 -2.290 1.00 . A A . 30 GLU CA 1 1
1 421 1 1 30 GLU CB C 0.350 -0.341 -1.560 1.00 . A A . 30 GLU CB 1 1
1 422 1 1 30 GLU CD C 2.763 -0.974 -1.693 1.00 . A A . 30 GLU CD 1 1
1 423 1 1 30 GLU CG C 1.465 -0.825 -2.487 1.00 . A A . 30 GLU CG 1 1
1 424 1 1 30 GLU H H -0.004 0.469 -3.954 1.00 . A A . 30 GLU H 1 1
1 425 1 1 30 GLU HA H -1.353 -1.450 -2.271 1.00 . A A . 30 GLU HA 1 1
1 426 1 1 30 GLU HB2 H 0.529 0.685 -1.279 1.00 . A A . 30 GLU HB2 1 1
1 427 1 1 30 GLU HB3 H 0.328 -0.951 -0.680 1.00 . A A . 30 GLU HB3 1 1
1 428 1 1 30 GLU HG2 H 1.188 -1.779 -2.911 1.00 . A A . 30 GLU HG2 1 1
1 429 1 1 30 GLU HG3 H 1.610 -0.111 -3.279 1.00 . A A . 30 GLU HG3 1 1
1 430 1 1 30 GLU N N -0.819 -0.004 -3.687 1.00 . A A . 30 GLU N 1 1
1 431 1 1 30 GLU O O -2.975 0.101 -1.070 1.00 . A A . 30 GLU O 1 1
1 432 1 1 30 GLU OE1 O 2.680 -1.112 -0.484 1.00 . A A . 30 GLU OE1 1 1
1 433 1 1 30 GLU OE2 O 3.816 -0.951 -2.308 1.00 . A A . 30 GLU OE2 1 1
1 434 1 1 31 ALA C C -4.093 2.437 -1.760 1.00 . A A . 31 ALA C 1 1
1 435 1 1 31 ALA CA C -2.662 2.788 -1.348 1.00 . A A . 31 ALA CA 1 1
1 436 1 1 31 ALA CB C -2.244 4.103 -1.991 1.00 . A A . 31 ALA CB 1 1
1 437 1 1 31 ALA H H -0.966 2.018 -2.366 1.00 . A A . 31 ALA H 1 1
1 438 1 1 31 ALA HA H -2.583 2.859 -0.278 1.00 . A A . 31 ALA HA 1 1
1 439 1 1 31 ALA HB1 H -1.176 4.085 -2.169 1.00 . A A . 31 ALA HB1 1 1
1 440 1 1 31 ALA HB2 H -2.759 4.220 -2.932 1.00 . A A . 31 ALA HB2 1 1
1 441 1 1 31 ALA HB3 H -2.487 4.920 -1.335 1.00 . A A . 31 ALA HB3 1 1
1 442 1 1 31 ALA N N -1.753 1.751 -1.853 1.00 . A A . 31 ALA N 1 1
1 443 1 1 31 ALA O O -5.053 2.873 -1.155 1.00 . A A . 31 ALA O 1 1
1 444 1 1 32 GLY C C -5.699 1.481 -4.767 1.00 . A A . 32 GLY C 1 1
1 445 1 1 32 GLY CA C -5.598 1.261 -3.258 1.00 . A A . 32 GLY CA 1 1
1 446 1 1 32 GLY H H -3.453 1.311 -3.266 1.00 . A A . 32 GLY H 1 1
1 447 1 1 32 GLY HA2 H -5.771 0.220 -3.032 1.00 . A A . 32 GLY HA2 1 1
1 448 1 1 32 GLY HA3 H -6.338 1.867 -2.758 1.00 . A A . 32 GLY HA3 1 1
1 449 1 1 32 GLY N N -4.239 1.648 -2.793 1.00 . A A . 32 GLY N 1 1
1 450 1 1 32 GLY O O -6.743 1.841 -5.269 1.00 . A A . 32 GLY O 1 1
1 451 1 1 33 LEU C C -5.514 2.567 -7.353 1.00 . A A . 33 LEU C 1 1
1 452 1 1 33 LEU CA C -4.578 1.442 -6.950 1.00 . A A . 33 LEU CA 1 1
1 453 1 1 33 LEU CB C -4.973 0.131 -7.607 1.00 . A A . 33 LEU CB 1 1
1 454 1 1 33 LEU CD1 C -7.152 -0.646 -8.541 1.00 . A A . 33 LEU CD1 1 1
1 455 1 1 33 LEU CD2 C -6.478 -1.283 -6.221 1.00 . A A . 33 LEU CD2 1 1
1 456 1 1 33 LEU CG C -6.426 -0.180 -7.278 1.00 . A A . 33 LEU CG 1 1
1 457 1 1 33 LEU H H -3.809 0.979 -5.042 1.00 . A A . 33 LEU H 1 1
1 458 1 1 33 LEU HA H -3.575 1.700 -7.254 1.00 . A A . 33 LEU HA 1 1
1 459 1 1 33 LEU HB2 H -4.846 0.219 -8.661 1.00 . A A . 33 LEU HB2 1 1
1 460 1 1 33 LEU HB3 H -4.345 -0.663 -7.232 1.00 . A A . 33 LEU HB3 1 1
1 461 1 1 33 LEU HD11 H -6.460 -1.176 -9.180 1.00 . A A . 33 LEU HD11 1 1
1 462 1 1 33 LEU HD12 H -7.964 -1.303 -8.268 1.00 . A A . 33 LEU HD12 1 1
1 463 1 1 33 LEU HD13 H -7.544 0.212 -9.069 1.00 . A A . 33 LEU HD13 1 1
1 464 1 1 33 LEU HD21 H -5.486 -1.455 -5.831 1.00 . A A . 33 LEU HD21 1 1
1 465 1 1 33 LEU HD22 H -7.132 -0.981 -5.416 1.00 . A A . 33 LEU HD22 1 1
1 466 1 1 33 LEU HD23 H -6.852 -2.192 -6.666 1.00 . A A . 33 LEU HD23 1 1
1 467 1 1 33 LEU HG H -6.895 0.710 -6.896 1.00 . A A . 33 LEU HG 1 1
1 468 1 1 33 LEU N N -4.611 1.265 -5.480 1.00 . A A . 33 LEU N 1 1
1 469 1 1 33 LEU O O -6.120 2.557 -8.407 1.00 . A A . 33 LEU O 1 1
1 470 1 1 34 ASP C C -5.711 5.721 -7.621 1.00 . A A . 34 ASP C 1 1
1 471 1 1 34 ASP CA C -6.490 4.698 -6.793 1.00 . A A . 34 ASP CA 1 1
1 472 1 1 34 ASP CB C -6.934 5.336 -5.477 1.00 . A A . 34 ASP CB 1 1
1 473 1 1 34 ASP CG C -8.164 6.212 -5.722 1.00 . A A . 34 ASP CG 1 1
1 474 1 1 34 ASP H H -5.113 3.510 -5.676 1.00 . A A . 34 ASP H 1 1
1 475 1 1 34 ASP HA H -7.348 4.363 -7.340 1.00 . A A . 34 ASP HA 1 1
1 476 1 1 34 ASP HB2 H -7.179 4.559 -4.766 1.00 . A A . 34 ASP HB2 1 1
1 477 1 1 34 ASP HB3 H -6.134 5.944 -5.083 1.00 . A A . 34 ASP HB3 1 1
1 478 1 1 34 ASP N N -5.618 3.542 -6.507 1.00 . A A . 34 ASP N 1 1
1 479 1 1 34 ASP O O -6.261 6.689 -8.109 1.00 . A A . 34 ASP O 1 1
1 480 1 1 34 ASP OD1 O -8.245 6.798 -6.789 1.00 . A A . 34 ASP OD1 1 1
1 481 1 1 34 ASP OD2 O -9.004 6.281 -4.840 1.00 . A A . 34 ASP OD2 1 1
1 482 1 1 35 LEU C C -3.935 7.902 -8.100 1.00 . A A . 35 LEU C 1 1
1 483 1 1 35 LEU CA C -3.614 6.482 -8.569 1.00 . A A . 35 LEU CA 1 1
1 484 1 1 35 LEU CB C -3.951 6.342 -10.055 1.00 . A A . 35 LEU CB 1 1
1 485 1 1 35 LEU CD1 C -5.536 4.501 -10.630 1.00 . A A . 35 LEU CD1 1 1
1 486 1 1 35 LEU CD2 C -3.277 4.585 -11.696 1.00 . A A . 35 LEU CD2 1 1
1 487 1 1 35 LEU CG C -4.066 4.861 -10.413 1.00 . A A . 35 LEU CG 1 1
1 488 1 1 35 LEU H H -4.003 4.734 -7.374 1.00 . A A . 35 LEU H 1 1
1 489 1 1 35 LEU HA H -2.564 6.280 -8.415 1.00 . A A . 35 LEU HA 1 1
1 490 1 1 35 LEU HB2 H -4.890 6.836 -10.257 1.00 . A A . 35 LEU HB2 1 1
1 491 1 1 35 LEU HB3 H -3.170 6.796 -10.646 1.00 . A A . 35 LEU HB3 1 1
1 492 1 1 35 LEU HD11 H -6.159 5.181 -10.066 1.00 . A A . 35 LEU HD11 1 1
1 493 1 1 35 LEU HD12 H -5.775 4.581 -11.680 1.00 . A A . 35 LEU HD12 1 1
1 494 1 1 35 LEU HD13 H -5.713 3.490 -10.296 1.00 . A A . 35 LEU HD13 1 1
1 495 1 1 35 LEU HD21 H -2.722 5.469 -11.975 1.00 . A A . 35 LEU HD21 1 1
1 496 1 1 35 LEU HD22 H -2.591 3.768 -11.529 1.00 . A A . 35 LEU HD22 1 1
1 497 1 1 35 LEU HD23 H -3.961 4.324 -12.490 1.00 . A A . 35 LEU HD23 1 1
1 498 1 1 35 LEU HG H -3.664 4.264 -9.607 1.00 . A A . 35 LEU HG 1 1
1 499 1 1 35 LEU N N -4.428 5.518 -7.779 1.00 . A A . 35 LEU N 1 1
1 500 1 1 35 LEU O O -4.565 8.659 -8.811 1.00 . A A . 35 LEU O 1 1
1 501 1 1 36 PRO C C -3.123 10.637 -7.175 1.00 . A A . 36 PRO C 1 1
1 502 1 1 36 PRO CA C -3.735 9.538 -6.306 1.00 . A A . 36 PRO CA 1 1
1 503 1 1 36 PRO CB C -3.043 9.479 -4.936 1.00 . A A . 36 PRO CB 1 1
1 504 1 1 36 PRO CD C -2.732 7.278 -6.062 1.00 . A A . 36 PRO CD 1 1
1 505 1 1 36 PRO CG C -2.437 8.062 -4.774 1.00 . A A . 36 PRO CG 1 1
1 506 1 1 36 PRO HA H -4.791 9.708 -6.174 1.00 . A A . 36 PRO HA 1 1
1 507 1 1 36 PRO HB2 H -2.260 10.224 -4.891 1.00 . A A . 36 PRO HB2 1 1
1 508 1 1 36 PRO HB3 H -3.764 9.656 -4.152 1.00 . A A . 36 PRO HB3 1 1
1 509 1 1 36 PRO HD2 H -1.809 6.998 -6.550 1.00 . A A . 36 PRO HD2 1 1
1 510 1 1 36 PRO HD3 H -3.326 6.404 -5.844 1.00 . A A . 36 PRO HD3 1 1
1 511 1 1 36 PRO HG2 H -1.369 8.135 -4.623 1.00 . A A . 36 PRO HG2 1 1
1 512 1 1 36 PRO HG3 H -2.895 7.562 -3.934 1.00 . A A . 36 PRO HG3 1 1
1 513 1 1 36 PRO N N -3.499 8.215 -6.905 1.00 . A A . 36 PRO N 1 1
1 514 1 1 36 PRO O O -2.024 11.094 -6.935 1.00 . A A . 36 PRO O 1 1
1 515 1 1 37 TYR C C -3.889 13.482 -8.615 1.00 . A A . 37 TYR C 1 1
1 516 1 1 37 TYR CA C -3.299 12.146 -9.061 1.00 . A A . 37 TYR CA 1 1
1 517 1 1 37 TYR CB C -3.697 11.868 -10.512 1.00 . A A . 37 TYR CB 1 1
1 518 1 1 37 TYR CD1 C -1.637 13.028 -11.387 1.00 . A A . 37 TYR CD1 1 1
1 519 1 1 37 TYR CD2 C -3.800 13.652 -12.289 1.00 . A A . 37 TYR CD2 1 1
1 520 1 1 37 TYR CE1 C -1.018 13.961 -12.228 1.00 . A A . 37 TYR CE1 1 1
1 521 1 1 37 TYR CE2 C -3.181 14.586 -13.129 1.00 . A A . 37 TYR CE2 1 1
1 522 1 1 37 TYR CG C -3.029 12.874 -11.417 1.00 . A A . 37 TYR CG 1 1
1 523 1 1 37 TYR CZ C -1.790 14.739 -13.098 1.00 . A A . 37 TYR CZ 1 1
1 524 1 1 37 TYR H H -4.720 10.693 -8.353 1.00 . A A . 37 TYR H 1 1
1 525 1 1 37 TYR HA H -2.222 12.179 -8.980 1.00 . A A . 37 TYR HA 1 1
1 526 1 1 37 TYR HB2 H -3.385 10.871 -10.787 1.00 . A A . 37 TYR HB2 1 1
1 527 1 1 37 TYR HB3 H -4.769 11.951 -10.613 1.00 . A A . 37 TYR HB3 1 1
1 528 1 1 37 TYR HD1 H -1.042 12.427 -10.716 1.00 . A A . 37 TYR HD1 1 1
1 529 1 1 37 TYR HD2 H -4.874 13.534 -12.311 1.00 . A A . 37 TYR HD2 1 1
1 530 1 1 37 TYR HE1 H 0.055 14.079 -12.204 1.00 . A A . 37 TYR HE1 1 1
1 531 1 1 37 TYR HE2 H -3.776 15.185 -13.801 1.00 . A A . 37 TYR HE2 1 1
1 532 1 1 37 TYR HH H -0.404 15.242 -14.311 1.00 . A A . 37 TYR HH 1 1
1 533 1 1 37 TYR N N -3.831 11.070 -8.182 1.00 . A A . 37 TYR N 1 1
1 534 1 1 37 TYR O O -3.888 14.451 -9.347 1.00 . A A . 37 TYR O 1 1
1 535 1 1 37 TYR OH O -1.179 15.658 -13.927 1.00 . A A . 37 TYR OH 1 1
1 536 1 1 38 SER C C -3.896 15.713 -6.372 1.00 . A A . 38 SER C 1 1
1 537 1 1 38 SER CA C -4.998 14.801 -6.915 1.00 . A A . 38 SER CA 1 1
1 538 1 1 38 SER CB C -5.996 14.486 -5.802 1.00 . A A . 38 SER CB 1 1
1 539 1 1 38 SER H H -4.393 12.739 -6.845 1.00 . A A . 38 SER H 1 1
1 540 1 1 38 SER HA H -5.510 15.300 -7.725 1.00 . A A . 38 SER HA 1 1
1 541 1 1 38 SER HB2 H -5.621 13.678 -5.196 1.00 . A A . 38 SER HB2 1 1
1 542 1 1 38 SER HB3 H -6.132 15.363 -5.183 1.00 . A A . 38 SER HB3 1 1
1 543 1 1 38 SER HG H -7.787 14.884 -6.448 1.00 . A A . 38 SER HG 1 1
1 544 1 1 38 SER N N -4.400 13.535 -7.416 1.00 . A A . 38 SER N 1 1
1 545 1 1 38 SER O O -3.582 16.733 -6.954 1.00 . A A . 38 SER O 1 1
1 546 1 1 38 SER OG O -7.237 14.101 -6.379 1.00 . A A . 38 SER OG 1 1
1 547 1 1 39 CYS C C -0.861 15.584 -4.881 1.00 . A A . 39 CYS C 1 1
1 548 1 1 39 CYS CA C -2.240 16.232 -4.688 1.00 . A A . 39 CYS CA 1 1
1 549 1 1 39 CYS CB C -2.514 16.482 -3.192 1.00 . A A . 39 CYS CB 1 1
1 550 1 1 39 CYS H H -3.578 14.544 -4.794 1.00 . A A . 39 CYS H 1 1
1 551 1 1 39 CYS HA H -2.252 17.180 -5.206 1.00 . A A . 39 CYS HA 1 1
1 552 1 1 39 CYS HB2 H -2.050 17.411 -2.899 1.00 . A A . 39 CYS HB2 1 1
1 553 1 1 39 CYS HB3 H -3.580 16.554 -3.036 1.00 . A A . 39 CYS HB3 1 1
1 554 1 1 39 CYS N N -3.310 15.365 -5.257 1.00 . A A . 39 CYS N 1 1
1 555 1 1 39 CYS O O 0.086 16.237 -5.269 1.00 . A A . 39 CYS O 1 1
1 556 1 1 39 CYS SG S -1.846 15.139 -2.165 1.00 . A A . 39 CYS SG 1 1
1 557 1 1 40 ARG C C 1.451 13.890 -3.499 1.00 . A A . 40 ARG C 1 1
1 558 1 1 40 ARG CA C 0.577 13.621 -4.735 1.00 . A A . 40 ARG CA 1 1
1 559 1 1 40 ARG CB C 1.297 14.124 -5.989 1.00 . A A . 40 ARG CB 1 1
1 560 1 1 40 ARG CD C 1.943 12.668 -7.914 1.00 . A A . 40 ARG CD 1 1
1 561 1 1 40 ARG CG C 2.283 13.059 -6.474 1.00 . A A . 40 ARG CG 1 1
1 562 1 1 40 ARG CZ C 3.184 12.313 -9.967 1.00 . A A . 40 ARG CZ 1 1
1 563 1 1 40 ARG H H -1.518 13.813 -4.267 1.00 . A A . 40 ARG H 1 1
1 564 1 1 40 ARG HA H 0.409 12.557 -4.825 1.00 . A A . 40 ARG HA 1 1
1 565 1 1 40 ARG HB2 H 0.572 14.324 -6.764 1.00 . A A . 40 ARG HB2 1 1
1 566 1 1 40 ARG HB3 H 1.836 15.030 -5.756 1.00 . A A . 40 ARG HB3 1 1
1 567 1 1 40 ARG HD2 H 1.632 11.634 -7.942 1.00 . A A . 40 ARG HD2 1 1
1 568 1 1 40 ARG HD3 H 1.141 13.295 -8.277 1.00 . A A . 40 ARG HD3 1 1
1 569 1 1 40 ARG HE H 3.908 13.368 -8.449 1.00 . A A . 40 ARG HE 1 1
1 570 1 1 40 ARG HG2 H 3.288 13.453 -6.434 1.00 . A A . 40 ARG HG2 1 1
1 571 1 1 40 ARG HG3 H 2.212 12.186 -5.842 1.00 . A A . 40 ARG HG3 1 1
1 572 1 1 40 ARG HH11 H 1.355 11.505 -9.841 1.00 . A A . 40 ARG HH11 1 1
1 573 1 1 40 ARG HH12 H 2.200 11.217 -11.324 1.00 . A A . 40 ARG HH12 1 1
1 574 1 1 40 ARG HH21 H 5.019 12.997 -10.379 1.00 . A A . 40 ARG HH21 1 1
1 575 1 1 40 ARG HH22 H 4.272 12.058 -11.628 1.00 . A A . 40 ARG HH22 1 1
1 576 1 1 40 ARG N N -0.739 14.312 -4.592 1.00 . A A . 40 ARG N 1 1
1 577 1 1 40 ARG NE N 3.145 12.849 -8.776 1.00 . A A . 40 ARG NE 1 1
1 578 1 1 40 ARG NH1 N 2.167 11.624 -10.411 1.00 . A A . 40 ARG NH1 1 1
1 579 1 1 40 ARG NH2 N 4.240 12.468 -10.716 1.00 . A A . 40 ARG NH2 1 1
1 580 1 1 40 ARG O O 2.368 13.147 -3.209 1.00 . A A . 40 ARG O 1 1
1 581 1 1 41 ALA C C 1.214 14.947 -0.286 1.00 . A A . 41 ALA C 1 1
1 582 1 1 41 ALA CA C 2.013 15.243 -1.563 1.00 . A A . 41 ALA CA 1 1
1 583 1 1 41 ALA CB C 2.419 16.718 -1.576 1.00 . A A . 41 ALA CB 1 1
1 584 1 1 41 ALA H H 0.452 15.539 -3.011 1.00 . A A . 41 ALA H 1 1
1 585 1 1 41 ALA HA H 2.900 14.629 -1.578 1.00 . A A . 41 ALA HA 1 1
1 586 1 1 41 ALA HB1 H 2.289 17.119 -2.570 1.00 . A A . 41 ALA HB1 1 1
1 587 1 1 41 ALA HB2 H 1.800 17.269 -0.882 1.00 . A A . 41 ALA HB2 1 1
1 588 1 1 41 ALA HB3 H 3.455 16.809 -1.284 1.00 . A A . 41 ALA HB3 1 1
1 589 1 1 41 ALA N N 1.185 14.944 -2.768 1.00 . A A . 41 ALA N 1 1
1 590 1 1 41 ALA O O 1.538 14.044 0.458 1.00 . A A . 41 ALA O 1 1
1 591 1 1 42 GLY C C -1.794 16.447 1.271 1.00 . A A . 42 GLY C 1 1
1 592 1 1 42 GLY CA C -0.624 15.460 1.217 1.00 . A A . 42 GLY CA 1 1
1 593 1 1 42 GLY H H -0.062 16.433 -0.627 1.00 . A A . 42 GLY H 1 1
1 594 1 1 42 GLY HA2 H -1.006 14.449 1.202 1.00 . A A . 42 GLY HA2 1 1
1 595 1 1 42 GLY HA3 H -0.001 15.597 2.086 1.00 . A A . 42 GLY HA3 1 1
1 596 1 1 42 GLY N N 0.181 15.704 -0.019 1.00 . A A . 42 GLY N 1 1
1 597 1 1 42 GLY O O -1.741 17.452 1.952 1.00 . A A . 42 GLY O 1 1
1 598 1 1 43 ALA C C -5.311 16.310 0.233 1.00 . A A . 43 ALA C 1 1
1 599 1 1 43 ALA CA C -4.025 17.084 0.561 1.00 . A A . 43 ALA CA 1 1
1 600 1 1 43 ALA CB C -3.816 18.183 -0.484 1.00 . A A . 43 ALA CB 1 1
1 601 1 1 43 ALA H H -2.864 15.352 0.027 1.00 . A A . 43 ALA H 1 1
1 602 1 1 43 ALA HA H -4.121 17.536 1.537 1.00 . A A . 43 ALA HA 1 1
1 603 1 1 43 ALA HB1 H -2.975 17.927 -1.111 1.00 . A A . 43 ALA HB1 1 1
1 604 1 1 43 ALA HB2 H -4.703 18.275 -1.092 1.00 . A A . 43 ALA HB2 1 1
1 605 1 1 43 ALA HB3 H -3.622 19.121 0.014 1.00 . A A . 43 ALA HB3 1 1
1 606 1 1 43 ALA N N -2.847 16.167 0.557 1.00 . A A . 43 ALA N 1 1
1 607 1 1 43 ALA O O -6.397 16.731 0.581 1.00 . A A . 43 ALA O 1 1
1 608 1 1 44 CYS C C -6.458 13.107 -0.005 1.00 . A A . 44 CYS C 1 1
1 609 1 1 44 CYS CA C -6.434 14.420 -0.792 1.00 . A A . 44 CYS CA 1 1
1 610 1 1 44 CYS CB C -6.439 14.124 -2.298 1.00 . A A . 44 CYS CB 1 1
1 611 1 1 44 CYS H H -4.334 14.868 -0.729 1.00 . A A . 44 CYS H 1 1
1 612 1 1 44 CYS HA H -7.306 15.003 -0.539 1.00 . A A . 44 CYS HA 1 1
1 613 1 1 44 CYS HB2 H -7.377 13.665 -2.568 1.00 . A A . 44 CYS HB2 1 1
1 614 1 1 44 CYS HB3 H -6.325 15.050 -2.844 1.00 . A A . 44 CYS HB3 1 1
1 615 1 1 44 CYS N N -5.209 15.192 -0.442 1.00 . A A . 44 CYS N 1 1
1 616 1 1 44 CYS O O -5.716 12.922 0.938 1.00 . A A . 44 CYS O 1 1
1 617 1 1 44 CYS SG S -5.080 13.002 -2.727 1.00 . A A . 44 CYS SG 1 1
1 618 1 1 45 SER C C -7.432 9.747 -0.658 1.00 . A A . 45 SER C 1 1
1 619 1 1 45 SER CA C -7.385 10.896 0.350 1.00 . A A . 45 SER CA 1 1
1 620 1 1 45 SER CB C -8.646 10.866 1.213 1.00 . A A . 45 SER CB 1 1
1 621 1 1 45 SER H H -7.906 12.362 -1.141 1.00 . A A . 45 SER H 1 1
1 622 1 1 45 SER HA H -6.515 10.787 0.979 1.00 . A A . 45 SER HA 1 1
1 623 1 1 45 SER HB2 H -9.455 11.351 0.691 1.00 . A A . 45 SER HB2 1 1
1 624 1 1 45 SER HB3 H -8.917 9.838 1.416 1.00 . A A . 45 SER HB3 1 1
1 625 1 1 45 SER HG H -9.016 11.226 3.090 1.00 . A A . 45 SER HG 1 1
1 626 1 1 45 SER N N -7.311 12.193 -0.381 1.00 . A A . 45 SER N 1 1
1 627 1 1 45 SER O O -8.121 8.765 -0.465 1.00 . A A . 45 SER O 1 1
1 628 1 1 45 SER OG O -8.398 11.553 2.432 1.00 . A A . 45 SER OG 1 1
1 629 1 1 46 THR C C -5.636 7.742 -2.405 1.00 . A A . 46 THR C 1 1
1 630 1 1 46 THR CA C -6.707 8.781 -2.756 1.00 . A A . 46 THR CA 1 1
1 631 1 1 46 THR CB C -6.417 9.381 -4.134 1.00 . A A . 46 THR CB 1 1
1 632 1 1 46 THR CG2 C -7.686 9.332 -4.986 1.00 . A A . 46 THR CG2 1 1
1 633 1 1 46 THR H H -6.159 10.665 -1.871 1.00 . A A . 46 THR H 1 1
1 634 1 1 46 THR HA H -7.675 8.303 -2.771 1.00 . A A . 46 THR HA 1 1
1 635 1 1 46 THR HB H -5.640 8.812 -4.621 1.00 . A A . 46 THR HB 1 1
1 636 1 1 46 THR HG1 H -5.694 11.044 -4.837 1.00 . A A . 46 THR HG1 1 1
1 637 1 1 46 THR HG21 H -8.274 8.469 -4.707 1.00 . A A . 46 THR HG21 1 1
1 638 1 1 46 THR HG22 H -8.266 10.229 -4.819 1.00 . A A . 46 THR HG22 1 1
1 639 1 1 46 THR HG23 H -7.419 9.264 -6.029 1.00 . A A . 46 THR HG23 1 1
1 640 1 1 46 THR N N -6.706 9.863 -1.735 1.00 . A A . 46 THR N 1 1
1 641 1 1 46 THR O O -5.483 6.743 -3.079 1.00 . A A . 46 THR O 1 1
1 642 1 1 46 THR OG1 O -5.997 10.730 -3.981 1.00 . A A . 46 THR OG1 1 1
1 643 1 1 47 CYS C C -4.326 6.153 0.228 1.00 . A A . 47 CYS C 1 1
1 644 1 1 47 CYS CA C -3.839 6.990 -0.962 1.00 . A A . 47 CYS CA 1 1
1 645 1 1 47 CYS CB C -2.539 7.726 -0.592 1.00 . A A . 47 CYS CB 1 1
1 646 1 1 47 CYS H H -5.037 8.778 -0.821 1.00 . A A . 47 CYS H 1 1
1 647 1 1 47 CYS HA H -3.647 6.331 -1.797 1.00 . A A . 47 CYS HA 1 1
1 648 1 1 47 CYS HB2 H -1.926 7.076 0.013 1.00 . A A . 47 CYS HB2 1 1
1 649 1 1 47 CYS HB3 H -2.004 7.979 -1.496 1.00 . A A . 47 CYS HB3 1 1
1 650 1 1 47 CYS N N -4.894 7.970 -1.353 1.00 . A A . 47 CYS N 1 1
1 651 1 1 47 CYS O O -3.782 6.218 1.312 1.00 . A A . 47 CYS O 1 1
1 652 1 1 47 CYS SG S -2.898 9.242 0.338 1.00 . A A . 47 CYS SG 1 1
1 653 1 1 48 ALA C C -4.977 3.316 1.376 1.00 . A A . 48 ALA C 1 1
1 654 1 1 48 ALA CA C -5.895 4.527 1.141 1.00 . A A . 48 ALA CA 1 1
1 655 1 1 48 ALA CB C -7.301 4.048 0.769 1.00 . A A . 48 ALA CB 1 1
1 656 1 1 48 ALA H H -5.780 5.338 -0.854 1.00 . A A . 48 ALA H 1 1
1 657 1 1 48 ALA HA H -5.946 5.116 2.044 1.00 . A A . 48 ALA HA 1 1
1 658 1 1 48 ALA HB1 H -7.811 4.823 0.216 1.00 . A A . 48 ALA HB1 1 1
1 659 1 1 48 ALA HB2 H -7.229 3.159 0.160 1.00 . A A . 48 ALA HB2 1 1
1 660 1 1 48 ALA HB3 H -7.855 3.823 1.669 1.00 . A A . 48 ALA HB3 1 1
1 661 1 1 48 ALA N N -5.356 5.369 0.029 1.00 . A A . 48 ALA N 1 1
1 662 1 1 48 ALA O O -3.769 3.432 1.347 1.00 . A A . 48 ALA O 1 1
1 663 1 1 49 GLY C C -4.566 0.724 3.375 1.00 . A A . 49 GLY C 1 1
1 664 1 1 49 GLY CA C -4.691 0.950 1.869 1.00 . A A . 49 GLY CA 1 1
1 665 1 1 49 GLY H H -6.514 2.076 1.652 1.00 . A A . 49 GLY H 1 1
1 666 1 1 49 GLY HA2 H -5.143 0.086 1.407 1.00 . A A . 49 GLY HA2 1 1
1 667 1 1 49 GLY HA3 H -3.707 1.111 1.453 1.00 . A A . 49 GLY HA3 1 1
1 668 1 1 49 GLY N N -5.539 2.155 1.622 1.00 . A A . 49 GLY N 1 1
1 669 1 1 49 GLY O O -4.197 1.620 4.108 1.00 . A A . 49 GLY O 1 1
1 670 1 1 50 LYS C C -3.250 -0.739 5.718 1.00 . A A . 50 LYS C 1 1
1 671 1 1 50 LYS CA C -4.737 -0.680 5.326 1.00 . A A . 50 LYS CA 1 1
1 672 1 1 50 LYS CB C -5.430 -1.988 5.704 1.00 . A A . 50 LYS CB 1 1
1 673 1 1 50 LYS CD C -6.977 -2.453 7.617 1.00 . A A . 50 LYS CD 1 1
1 674 1 1 50 LYS CE C -8.388 -3.043 7.686 1.00 . A A . 50 LYS CE 1 1
1 675 1 1 50 LYS CG C -6.807 -1.683 6.304 1.00 . A A . 50 LYS CG 1 1
1 676 1 1 50 LYS H H -5.160 -1.192 3.267 1.00 . A A . 50 LYS H 1 1
1 677 1 1 50 LYS HA H -5.209 0.138 5.850 1.00 . A A . 50 LYS HA 1 1
1 678 1 1 50 LYS HB2 H -5.550 -2.594 4.821 1.00 . A A . 50 LYS HB2 1 1
1 679 1 1 50 LYS HB3 H -4.834 -2.518 6.431 1.00 . A A . 50 LYS HB3 1 1
1 680 1 1 50 LYS HD2 H -6.250 -3.250 7.663 1.00 . A A . 50 LYS HD2 1 1
1 681 1 1 50 LYS HD3 H -6.830 -1.781 8.449 1.00 . A A . 50 LYS HD3 1 1
1 682 1 1 50 LYS HE2 H -9.009 -2.418 8.311 1.00 . A A . 50 LYS HE2 1 1
1 683 1 1 50 LYS HE3 H -8.809 -3.089 6.692 1.00 . A A . 50 LYS HE3 1 1
1 684 1 1 50 LYS HG2 H -6.889 -0.623 6.494 1.00 . A A . 50 LYS HG2 1 1
1 685 1 1 50 LYS HG3 H -7.576 -1.986 5.610 1.00 . A A . 50 LYS HG3 1 1
1 686 1 1 50 LYS HZ1 H -7.330 -4.707 8.353 1.00 . A A . 50 LYS HZ1 1 1
1 687 1 1 50 LYS HZ2 H -8.773 -4.418 9.202 1.00 . A A . 50 LYS HZ2 1 1
1 688 1 1 50 LYS HZ3 H -8.827 -5.078 7.640 1.00 . A A . 50 LYS HZ3 1 1
1 689 1 1 50 LYS N N -4.861 -0.458 3.860 1.00 . A A . 50 LYS N 1 1
1 690 1 1 50 LYS NZ N -8.325 -4.416 8.264 1.00 . A A . 50 LYS NZ 1 1
1 691 1 1 50 LYS O O -2.666 -1.798 5.818 1.00 . A A . 50 LYS O 1 1
1 692 1 1 51 ILE C C -0.270 0.055 5.226 1.00 . A A . 51 ILE C 1 1
1 693 1 1 51 ILE CA C -1.212 0.463 6.372 1.00 . A A . 51 ILE CA 1 1
1 694 1 1 51 ILE CB C -0.996 -0.471 7.561 1.00 . A A . 51 ILE CB 1 1
1 695 1 1 51 ILE CD1 C -3.057 -0.951 8.891 1.00 . A A . 51 ILE CD1 1 1
1 696 1 1 51 ILE CG1 C -1.863 -0.007 8.734 1.00 . A A . 51 ILE CG1 1 1
1 697 1 1 51 ILE CG2 C 0.477 -0.444 7.973 1.00 . A A . 51 ILE CG2 1 1
1 698 1 1 51 ILE H H -3.158 1.235 5.882 1.00 . A A . 51 ILE H 1 1
1 699 1 1 51 ILE HA H -0.977 1.471 6.674 1.00 . A A . 51 ILE HA 1 1
1 700 1 1 51 ILE HB H -1.273 -1.473 7.283 1.00 . A A . 51 ILE HB 1 1
1 701 1 1 51 ILE HD11 H -2.711 -1.973 8.881 1.00 . A A . 51 ILE HD11 1 1
1 702 1 1 51 ILE HD12 H -3.556 -0.747 9.827 1.00 . A A . 51 ILE HD12 1 1
1 703 1 1 51 ILE HD13 H -3.747 -0.796 8.074 1.00 . A A . 51 ILE HD13 1 1
1 704 1 1 51 ILE HG12 H -1.274 -0.016 9.641 1.00 . A A . 51 ILE HG12 1 1
1 705 1 1 51 ILE HG13 H -2.219 0.994 8.545 1.00 . A A . 51 ILE HG13 1 1
1 706 1 1 51 ILE HG21 H 1.016 0.241 7.335 1.00 . A A . 51 ILE HG21 1 1
1 707 1 1 51 ILE HG22 H 0.557 -0.119 8.999 1.00 . A A . 51 ILE HG22 1 1
1 708 1 1 51 ILE HG23 H 0.896 -1.434 7.873 1.00 . A A . 51 ILE HG23 1 1
1 709 1 1 51 ILE N N -2.651 0.405 5.957 1.00 . A A . 51 ILE N 1 1
1 710 1 1 51 ILE O O 0.390 -0.959 5.292 1.00 . A A . 51 ILE O 1 1
1 711 1 1 52 THR C C 2.146 0.995 3.373 1.00 . A A . 52 THR C 1 1
1 712 1 1 52 THR CA C 0.729 0.513 3.042 1.00 . A A . 52 THR CA 1 1
1 713 1 1 52 THR CB C 0.240 1.221 1.778 1.00 . A A . 52 THR CB 1 1
1 714 1 1 52 THR CG2 C 0.052 2.712 2.067 1.00 . A A . 52 THR CG2 1 1
1 715 1 1 52 THR H H -0.722 1.665 4.150 1.00 . A A . 52 THR H 1 1
1 716 1 1 52 THR HA H 0.734 -0.552 2.880 1.00 . A A . 52 THR HA 1 1
1 717 1 1 52 THR HB H -0.702 0.799 1.470 1.00 . A A . 52 THR HB 1 1
1 718 1 1 52 THR HG1 H 1.361 0.112 0.642 1.00 . A A . 52 THR HG1 1 1
1 719 1 1 52 THR HG21 H 0.828 3.049 2.739 1.00 . A A . 52 THR HG21 1 1
1 720 1 1 52 THR HG22 H 0.109 3.268 1.143 1.00 . A A . 52 THR HG22 1 1
1 721 1 1 52 THR HG23 H -0.914 2.872 2.524 1.00 . A A . 52 THR HG23 1 1
1 722 1 1 52 THR N N -0.190 0.847 4.182 1.00 . A A . 52 THR N 1 1
1 723 1 1 52 THR O O 3.059 0.888 2.578 1.00 . A A . 52 THR O 1 1
1 724 1 1 52 THR OG1 O 1.196 1.052 0.743 1.00 . A A . 52 THR OG1 1 1
1 725 1 1 53 ALA C C 4.807 1.284 4.427 1.00 . A A . 53 ALA C 1 1
1 726 1 1 53 ALA CA C 3.631 2.078 4.992 1.00 . A A . 53 ALA CA 1 1
1 727 1 1 53 ALA CB C 3.696 2.028 6.516 1.00 . A A . 53 ALA CB 1 1
1 728 1 1 53 ALA H H 1.543 1.609 5.139 1.00 . A A . 53 ALA H 1 1
1 729 1 1 53 ALA HA H 3.720 3.100 4.674 1.00 . A A . 53 ALA HA 1 1
1 730 1 1 53 ALA HB1 H 2.705 2.140 6.922 1.00 . A A . 53 ALA HB1 1 1
1 731 1 1 53 ALA HB2 H 4.108 1.080 6.828 1.00 . A A . 53 ALA HB2 1 1
1 732 1 1 53 ALA HB3 H 4.326 2.828 6.875 1.00 . A A . 53 ALA HB3 1 1
1 733 1 1 53 ALA N N 2.310 1.539 4.543 1.00 . A A . 53 ALA N 1 1
1 734 1 1 53 ALA O O 5.539 1.759 3.582 1.00 . A A . 53 ALA O 1 1
1 735 1 1 54 GLY C C 7.309 -0.606 5.464 1.00 . A A . 54 GLY C 1 1
1 736 1 1 54 GLY CA C 6.180 -0.694 4.435 1.00 . A A . 54 GLY CA 1 1
1 737 1 1 54 GLY H H 4.442 -0.260 5.603 1.00 . A A . 54 GLY H 1 1
1 738 1 1 54 GLY HA2 H 5.886 -1.724 4.296 1.00 . A A . 54 GLY HA2 1 1
1 739 1 1 54 GLY HA3 H 6.526 -0.282 3.501 1.00 . A A . 54 GLY HA3 1 1
1 740 1 1 54 GLY N N 5.024 0.098 4.913 1.00 . A A . 54 GLY N 1 1
1 741 1 1 54 GLY O O 7.331 -1.321 6.446 1.00 . A A . 54 GLY O 1 1
1 742 1 1 55 SER C C 10.126 1.723 5.823 1.00 . A A . 55 SER C 1 1
1 743 1 1 55 SER CA C 9.378 0.442 6.188 1.00 . A A . 55 SER CA 1 1
1 744 1 1 55 SER CB C 10.321 -0.756 6.074 1.00 . A A . 55 SER CB 1 1
1 745 1 1 55 SER H H 8.191 0.842 4.441 1.00 . A A . 55 SER H 1 1
1 746 1 1 55 SER HA H 9.001 0.514 7.197 1.00 . A A . 55 SER HA 1 1
1 747 1 1 55 SER HB2 H 10.922 -0.661 5.185 1.00 . A A . 55 SER HB2 1 1
1 748 1 1 55 SER HB3 H 10.966 -0.790 6.942 1.00 . A A . 55 SER HB3 1 1
1 749 1 1 55 SER HG H 9.680 -2.441 6.808 1.00 . A A . 55 SER HG 1 1
1 750 1 1 55 SER N N 8.241 0.277 5.240 1.00 . A A . 55 SER N 1 1
1 751 1 1 55 SER O O 9.785 2.382 4.864 1.00 . A A . 55 SER O 1 1
1 752 1 1 55 SER OG O 9.552 -1.949 5.992 1.00 . A A . 55 SER OG 1 1
1 753 1 1 56 VAL C C 10.929 4.410 5.793 1.00 . A A . 56 VAL C 1 1
1 754 1 1 56 VAL CA C 11.897 3.334 6.255 1.00 . A A . 56 VAL CA 1 1
1 755 1 1 56 VAL CB C 12.919 3.040 5.154 1.00 . A A . 56 VAL CB 1 1
1 756 1 1 56 VAL CG1 C 13.599 4.338 4.724 1.00 . A A . 56 VAL CG1 1 1
1 757 1 1 56 VAL CG2 C 13.975 2.067 5.685 1.00 . A A . 56 VAL CG2 1 1
1 758 1 1 56 VAL H H 11.395 1.540 7.347 1.00 . A A . 56 VAL H 1 1
1 759 1 1 56 VAL HA H 12.405 3.688 7.131 1.00 . A A . 56 VAL HA 1 1
1 760 1 1 56 VAL HB H 12.417 2.600 4.307 1.00 . A A . 56 VAL HB 1 1
1 761 1 1 56 VAL HG11 H 13.764 4.962 5.589 1.00 . A A . 56 VAL HG11 1 1
1 762 1 1 56 VAL HG12 H 14.546 4.108 4.259 1.00 . A A . 56 VAL HG12 1 1
1 763 1 1 56 VAL HG13 H 12.967 4.857 4.019 1.00 . A A . 56 VAL HG13 1 1
1 764 1 1 56 VAL HG21 H 13.596 1.569 6.566 1.00 . A A . 56 VAL HG21 1 1
1 765 1 1 56 VAL HG22 H 14.203 1.334 4.926 1.00 . A A . 56 VAL HG22 1 1
1 766 1 1 56 VAL HG23 H 14.872 2.614 5.939 1.00 . A A . 56 VAL HG23 1 1
1 767 1 1 56 VAL N N 11.138 2.086 6.576 1.00 . A A . 56 VAL N 1 1
1 768 1 1 56 VAL O O 10.687 4.580 4.614 1.00 . A A . 56 VAL O 1 1
1 769 1 1 57 ASP C C 8.857 6.904 7.553 1.00 . A A . 57 ASP C 1 1
1 770 1 1 57 ASP CA C 9.385 6.172 6.317 1.00 . A A . 57 ASP CA 1 1
1 771 1 1 57 ASP CB C 8.237 5.496 5.574 1.00 . A A . 57 ASP CB 1 1
1 772 1 1 57 ASP CG C 7.539 4.499 6.503 1.00 . A A . 57 ASP CG 1 1
1 773 1 1 57 ASP H H 10.549 4.967 7.661 1.00 . A A . 57 ASP H 1 1
1 774 1 1 57 ASP HA H 9.864 6.877 5.665 1.00 . A A . 57 ASP HA 1 1
1 775 1 1 57 ASP HB2 H 7.540 6.239 5.247 1.00 . A A . 57 ASP HB2 1 1
1 776 1 1 57 ASP HB3 H 8.628 4.969 4.716 1.00 . A A . 57 ASP HB3 1 1
1 777 1 1 57 ASP N N 10.354 5.128 6.713 1.00 . A A . 57 ASP N 1 1
1 778 1 1 57 ASP O O 8.190 6.331 8.389 1.00 . A A . 57 ASP O 1 1
1 779 1 1 57 ASP OD1 O 8.108 4.180 7.532 1.00 . A A . 57 ASP OD1 1 1
1 780 1 1 57 ASP OD2 O 6.449 4.068 6.165 1.00 . A A . 57 ASP OD2 1 1
1 781 1 1 58 GLN C C 9.354 10.322 8.855 1.00 . A A . 58 GLN C 1 1
1 782 1 1 58 GLN CA C 8.667 8.954 8.839 1.00 . A A . 58 GLN CA 1 1
1 783 1 1 58 GLN CB C 9.002 8.207 10.133 1.00 . A A . 58 GLN CB 1 1
1 784 1 1 58 GLN CD C 10.634 6.323 10.354 1.00 . A A . 58 GLN CD 1 1
1 785 1 1 58 GLN CG C 10.485 7.829 10.135 1.00 . A A . 58 GLN CG 1 1
1 786 1 1 58 GLN H H 9.681 8.616 6.978 1.00 . A A . 58 GLN H 1 1
1 787 1 1 58 GLN HA H 7.601 9.087 8.763 1.00 . A A . 58 GLN HA 1 1
1 788 1 1 58 GLN HB2 H 8.791 8.844 10.981 1.00 . A A . 58 GLN HB2 1 1
1 789 1 1 58 GLN HB3 H 8.403 7.311 10.201 1.00 . A A . 58 GLN HB3 1 1
1 790 1 1 58 GLN HE21 H 12.217 6.511 11.538 1.00 . A A . 58 GLN HE21 1 1
1 791 1 1 58 GLN HE22 H 11.704 4.917 11.262 1.00 . A A . 58 GLN HE22 1 1
1 792 1 1 58 GLN HG2 H 10.926 8.101 9.187 1.00 . A A . 58 GLN HG2 1 1
1 793 1 1 58 GLN HG3 H 10.989 8.357 10.932 1.00 . A A . 58 GLN HG3 1 1
1 794 1 1 58 GLN N N 9.149 8.174 7.667 1.00 . A A . 58 GLN N 1 1
1 795 1 1 58 GLN NE2 N 11.598 5.880 11.114 1.00 . A A . 58 GLN NE2 1 1
1 796 1 1 58 GLN O O 9.721 10.829 9.896 1.00 . A A . 58 GLN O 1 1
1 797 1 1 58 GLN OE1 O 9.868 5.540 9.828 1.00 . A A . 58 GLN OE1 1 1
1 798 1 1 59 SER C C 9.536 13.147 6.621 1.00 . A A . 59 SER C 1 1
1 799 1 1 59 SER CA C 10.208 12.253 7.666 1.00 . A A . 59 SER CA 1 1
1 800 1 1 59 SER CB C 11.680 12.063 7.301 1.00 . A A . 59 SER CB 1 1
1 801 1 1 59 SER H H 9.240 10.496 6.878 1.00 . A A . 59 SER H 1 1
1 802 1 1 59 SER HA H 10.138 12.721 8.638 1.00 . A A . 59 SER HA 1 1
1 803 1 1 59 SER HB2 H 12.212 12.989 7.449 1.00 . A A . 59 SER HB2 1 1
1 804 1 1 59 SER HB3 H 12.110 11.298 7.932 1.00 . A A . 59 SER HB3 1 1
1 805 1 1 59 SER HG H 11.020 11.129 5.726 1.00 . A A . 59 SER HG 1 1
1 806 1 1 59 SER N N 9.537 10.922 7.708 1.00 . A A . 59 SER N 1 1
1 807 1 1 59 SER O O 10.145 14.052 6.085 1.00 . A A . 59 SER O 1 1
1 808 1 1 59 SER OG O 11.777 11.681 5.935 1.00 . A A . 59 SER OG 1 1
1 809 1 1 60 ASP C C 8.483 14.003 4.109 1.00 . A A . 60 ASP C 1 1
1 810 1 1 60 ASP CA C 7.583 13.766 5.328 1.00 . A A . 60 ASP CA 1 1
1 811 1 1 60 ASP CB C 7.229 15.115 5.960 1.00 . A A . 60 ASP CB 1 1
1 812 1 1 60 ASP CG C 6.988 14.933 7.461 1.00 . A A . 60 ASP CG 1 1
1 813 1 1 60 ASP H H 7.803 12.182 6.781 1.00 . A A . 60 ASP H 1 1
1 814 1 1 60 ASP HA H 6.678 13.273 5.009 1.00 . A A . 60 ASP HA 1 1
1 815 1 1 60 ASP HB2 H 8.043 15.808 5.808 1.00 . A A . 60 ASP HB2 1 1
1 816 1 1 60 ASP HB3 H 6.334 15.505 5.500 1.00 . A A . 60 ASP HB3 1 1
1 817 1 1 60 ASP N N 8.286 12.913 6.332 1.00 . A A . 60 ASP N 1 1
1 818 1 1 60 ASP O O 8.648 15.120 3.658 1.00 . A A . 60 ASP O 1 1
1 819 1 1 60 ASP OD1 O 7.953 14.713 8.173 1.00 . A A . 60 ASP OD1 1 1
1 820 1 1 60 ASP OD2 O 5.842 15.016 7.872 1.00 . A A . 60 ASP OD2 1 1
1 821 1 1 61 GLN C C 9.329 12.359 1.192 1.00 . A A . 61 GLN C 1 1
1 822 1 1 61 GLN CA C 9.929 13.140 2.363 1.00 . A A . 61 GLN CA 1 1
1 823 1 1 61 GLN CB C 11.334 12.614 2.665 1.00 . A A . 61 GLN CB 1 1
1 824 1 1 61 GLN CD C 11.931 14.455 4.244 1.00 . A A . 61 GLN CD 1 1
1 825 1 1 61 GLN CG C 12.275 13.795 2.908 1.00 . A A . 61 GLN CG 1 1
1 826 1 1 61 GLN H H 8.902 12.070 3.930 1.00 . A A . 61 GLN H 1 1
1 827 1 1 61 GLN HA H 9.982 14.187 2.106 1.00 . A A . 61 GLN HA 1 1
1 828 1 1 61 GLN HB2 H 11.302 11.989 3.547 1.00 . A A . 61 GLN HB2 1 1
1 829 1 1 61 GLN HB3 H 11.691 12.037 1.826 1.00 . A A . 61 GLN HB3 1 1
1 830 1 1 61 GLN HE21 H 13.091 13.240 5.303 1.00 . A A . 61 GLN HE21 1 1
1 831 1 1 61 GLN HE22 H 12.257 14.413 6.202 1.00 . A A . 61 GLN HE22 1 1
1 832 1 1 61 GLN HG2 H 13.297 13.444 2.931 1.00 . A A . 61 GLN HG2 1 1
1 833 1 1 61 GLN HG3 H 12.160 14.516 2.113 1.00 . A A . 61 GLN HG3 1 1
1 834 1 1 61 GLN N N 9.055 12.965 3.561 1.00 . A A . 61 GLN N 1 1
1 835 1 1 61 GLN NE2 N 12.471 13.998 5.341 1.00 . A A . 61 GLN NE2 1 1
1 836 1 1 61 GLN O O 8.529 12.876 0.438 1.00 . A A . 61 GLN O 1 1
1 837 1 1 61 GLN OE1 O 11.161 15.393 4.292 1.00 . A A . 61 GLN OE1 1 1
1 838 1 1 62 SER C C 7.643 10.538 -0.182 1.00 . A A . 62 SER C 1 1
1 839 1 1 62 SER CA C 9.152 10.294 -0.076 1.00 . A A . 62 SER CA 1 1
1 840 1 1 62 SER CB C 9.413 8.813 0.204 1.00 . A A . 62 SER CB 1 1
1 841 1 1 62 SER H H 10.355 10.725 1.659 1.00 . A A . 62 SER H 1 1
1 842 1 1 62 SER HA H 9.628 10.575 -1.004 1.00 . A A . 62 SER HA 1 1
1 843 1 1 62 SER HB2 H 10.100 8.717 1.028 1.00 . A A . 62 SER HB2 1 1
1 844 1 1 62 SER HB3 H 8.480 8.325 0.456 1.00 . A A . 62 SER HB3 1 1
1 845 1 1 62 SER HG H 10.824 8.638 -1.122 1.00 . A A . 62 SER HG 1 1
1 846 1 1 62 SER N N 9.707 11.117 1.038 1.00 . A A . 62 SER N 1 1
1 847 1 1 62 SER O O 7.044 11.148 0.680 1.00 . A A . 62 SER O 1 1
1 848 1 1 62 SER OG O 9.982 8.210 -0.951 1.00 . A A . 62 SER OG 1 1
1 849 1 1 63 PHE C C 4.804 8.997 -1.608 1.00 . A A . 63 PHE C 1 1
1 850 1 1 63 PHE CA C 5.555 10.314 -1.379 1.00 . A A . 63 PHE CA 1 1
1 851 1 1 63 PHE CB C 5.314 11.246 -2.569 1.00 . A A . 63 PHE CB 1 1
1 852 1 1 63 PHE CD1 C 5.854 13.584 -1.794 1.00 . A A . 63 PHE CD1 1 1
1 853 1 1 63 PHE CD2 C 7.510 12.374 -3.086 1.00 . A A . 63 PHE CD2 1 1
1 854 1 1 63 PHE CE1 C 6.720 14.683 -1.713 1.00 . A A . 63 PHE CE1 1 1
1 855 1 1 63 PHE CE2 C 8.377 13.472 -3.005 1.00 . A A . 63 PHE CE2 1 1
1 856 1 1 63 PHE CG C 6.249 12.430 -2.481 1.00 . A A . 63 PHE CG 1 1
1 857 1 1 63 PHE CZ C 7.981 14.626 -2.318 1.00 . A A . 63 PHE CZ 1 1
1 858 1 1 63 PHE H H 7.514 9.593 -1.927 1.00 . A A . 63 PHE H 1 1
1 859 1 1 63 PHE HA H 5.181 10.784 -0.483 1.00 . A A . 63 PHE HA 1 1
1 860 1 1 63 PHE HB2 H 5.500 10.709 -3.489 1.00 . A A . 63 PHE HB2 1 1
1 861 1 1 63 PHE HB3 H 4.292 11.593 -2.554 1.00 . A A . 63 PHE HB3 1 1
1 862 1 1 63 PHE HD1 H 4.881 13.628 -1.327 1.00 . A A . 63 PHE HD1 1 1
1 863 1 1 63 PHE HD2 H 7.816 11.483 -3.615 1.00 . A A . 63 PHE HD2 1 1
1 864 1 1 63 PHE HE1 H 6.414 15.573 -1.183 1.00 . A A . 63 PHE HE1 1 1
1 865 1 1 63 PHE HE2 H 9.350 13.428 -3.472 1.00 . A A . 63 PHE HE2 1 1
1 866 1 1 63 PHE HZ H 8.649 15.472 -2.256 1.00 . A A . 63 PHE HZ 1 1
1 867 1 1 63 PHE N N 7.020 10.078 -1.234 1.00 . A A . 63 PHE N 1 1
1 868 1 1 63 PHE O O 4.335 8.726 -2.696 1.00 . A A . 63 PHE O 1 1
1 869 1 1 64 LEU C C 4.051 6.039 0.496 1.00 . A A . 64 LEU C 1 1
1 870 1 1 64 LEU CA C 3.903 6.908 -0.759 1.00 . A A . 64 LEU CA 1 1
1 871 1 1 64 LEU CB C 4.422 6.151 -1.981 1.00 . A A . 64 LEU CB 1 1
1 872 1 1 64 LEU CD1 C 2.188 5.037 -1.963 1.00 . A A . 64 LEU CD1 1 1
1 873 1 1 64 LEU CD2 C 2.611 6.962 -3.497 1.00 . A A . 64 LEU CD2 1 1
1 874 1 1 64 LEU CG C 3.233 5.725 -2.843 1.00 . A A . 64 LEU CG 1 1
1 875 1 1 64 LEU H H 5.020 8.432 0.287 1.00 . A A . 64 LEU H 1 1
1 876 1 1 64 LEU HA H 2.857 7.136 -0.905 1.00 . A A . 64 LEU HA 1 1
1 877 1 1 64 LEU HB2 H 5.078 6.789 -2.553 1.00 . A A . 64 LEU HB2 1 1
1 878 1 1 64 LEU HB3 H 4.960 5.275 -1.661 1.00 . A A . 64 LEU HB3 1 1
1 879 1 1 64 LEU HD11 H 2.586 4.904 -0.969 1.00 . A A . 64 LEU HD11 1 1
1 880 1 1 64 LEU HD12 H 1.298 5.648 -1.915 1.00 . A A . 64 LEU HD12 1 1
1 881 1 1 64 LEU HD13 H 1.941 4.074 -2.382 1.00 . A A . 64 LEU HD13 1 1
1 882 1 1 64 LEU HD21 H 2.394 7.699 -2.738 1.00 . A A . 64 LEU HD21 1 1
1 883 1 1 64 LEU HD22 H 3.301 7.376 -4.214 1.00 . A A . 64 LEU HD22 1 1
1 884 1 1 64 LEU HD23 H 1.696 6.681 -3.997 1.00 . A A . 64 LEU HD23 1 1
1 885 1 1 64 LEU HG H 3.569 5.040 -3.609 1.00 . A A . 64 LEU HG 1 1
1 886 1 1 64 LEU N N 4.656 8.188 -0.589 1.00 . A A . 64 LEU N 1 1
1 887 1 1 64 LEU O O 5.141 5.718 0.921 1.00 . A A . 64 LEU O 1 1
1 888 1 1 65 ASP C C 3.647 5.604 3.471 1.00 . A A . 65 ASP C 1 1
1 889 1 1 65 ASP CA C 3.008 4.815 2.322 1.00 . A A . 65 ASP CA 1 1
1 890 1 1 65 ASP CB C 3.855 3.580 2.034 1.00 . A A . 65 ASP CB 1 1
1 891 1 1 65 ASP CG C 3.471 3.011 0.668 1.00 . A A . 65 ASP CG 1 1
1 892 1 1 65 ASP H H 2.085 5.933 0.725 1.00 . A A . 65 ASP H 1 1
1 893 1 1 65 ASP HA H 2.011 4.512 2.601 1.00 . A A . 65 ASP HA 1 1
1 894 1 1 65 ASP HB2 H 4.899 3.854 2.033 1.00 . A A . 65 ASP HB2 1 1
1 895 1 1 65 ASP HB3 H 3.680 2.839 2.795 1.00 . A A . 65 ASP HB3 1 1
1 896 1 1 65 ASP N N 2.950 5.659 1.090 1.00 . A A . 65 ASP N 1 1
1 897 1 1 65 ASP O O 4.467 6.469 3.241 1.00 . A A . 65 ASP O 1 1
1 898 1 1 65 ASP OD1 O 2.299 3.060 0.338 1.00 . A A . 65 ASP OD1 1 1
1 899 1 1 65 ASP OD2 O 4.357 2.543 -0.027 1.00 . A A . 65 ASP OD2 1 1
1 900 1 1 66 ASP C C 3.009 7.152 6.343 1.00 . A A . 66 ASP C 1 1
1 901 1 1 66 ASP CA C 3.875 5.982 5.889 1.00 . A A . 66 ASP CA 1 1
1 902 1 1 66 ASP CB C 5.274 6.495 5.575 1.00 . A A . 66 ASP CB 1 1
1 903 1 1 66 ASP CG C 5.988 6.845 6.881 1.00 . A A . 66 ASP CG 1 1
1 904 1 1 66 ASP H H 2.637 4.579 4.856 1.00 . A A . 66 ASP H 1 1
1 905 1 1 66 ASP HA H 3.943 5.273 6.700 1.00 . A A . 66 ASP HA 1 1
1 906 1 1 66 ASP HB2 H 5.822 5.728 5.053 1.00 . A A . 66 ASP HB2 1 1
1 907 1 1 66 ASP HB3 H 5.206 7.378 4.957 1.00 . A A . 66 ASP HB3 1 1
1 908 1 1 66 ASP N N 3.287 5.291 4.705 1.00 . A A . 66 ASP N 1 1
1 909 1 1 66 ASP O O 3.388 8.301 6.215 1.00 . A A . 66 ASP O 1 1
1 910 1 1 66 ASP OD1 O 5.934 6.039 7.794 1.00 . A A . 66 ASP OD1 1 1
1 911 1 1 66 ASP OD2 O 6.573 7.913 6.945 1.00 . A A . 66 ASP OD2 1 1
1 912 1 1 67 ASP C C 1.900 8.755 8.457 1.00 . A A . 67 ASP C 1 1
1 913 1 1 67 ASP CA C 1.045 7.995 7.445 1.00 . A A . 67 ASP CA 1 1
1 914 1 1 67 ASP CB C -0.204 7.442 8.134 1.00 . A A . 67 ASP CB 1 1
1 915 1 1 67 ASP CG C -0.972 8.588 8.794 1.00 . A A . 67 ASP CG 1 1
1 916 1 1 67 ASP H H 1.603 5.951 7.067 1.00 . A A . 67 ASP H 1 1
1 917 1 1 67 ASP HA H 0.761 8.651 6.638 1.00 . A A . 67 ASP HA 1 1
1 918 1 1 67 ASP HB2 H -0.835 6.957 7.405 1.00 . A A . 67 ASP HB2 1 1
1 919 1 1 67 ASP HB3 H 0.088 6.730 8.888 1.00 . A A . 67 ASP HB3 1 1
1 920 1 1 67 ASP N N 1.877 6.879 6.928 1.00 . A A . 67 ASP N 1 1
1 921 1 1 67 ASP O O 1.638 9.894 8.791 1.00 . A A . 67 ASP O 1 1
1 922 1 1 67 ASP OD1 O -0.731 9.726 8.425 1.00 . A A . 67 ASP OD1 1 1
1 923 1 1 67 ASP OD2 O -1.787 8.309 9.658 1.00 . A A . 67 ASP OD2 1 1
1 924 1 1 68 GLN C C 4.985 7.802 10.313 1.00 . A A . 68 GLN C 1 1
1 925 1 1 68 GLN CA C 3.847 8.769 9.915 1.00 . A A . 68 GLN CA 1 1
1 926 1 1 68 GLN CB C 3.042 9.193 11.151 1.00 . A A . 68 GLN CB 1 1
1 927 1 1 68 GLN CD C 2.167 6.865 11.449 1.00 . A A . 68 GLN CD 1 1
1 928 1 1 68 GLN CG C 2.904 8.022 12.129 1.00 . A A . 68 GLN CG 1 1
1 929 1 1 68 GLN H H 3.125 7.208 8.638 1.00 . A A . 68 GLN H 1 1
1 930 1 1 68 GLN HA H 4.284 9.649 9.456 1.00 . A A . 68 GLN HA 1 1
1 931 1 1 68 GLN HB2 H 3.546 10.012 11.643 1.00 . A A . 68 GLN HB2 1 1
1 932 1 1 68 GLN HB3 H 2.058 9.516 10.842 1.00 . A A . 68 GLN HB3 1 1
1 933 1 1 68 GLN HE21 H 0.481 7.886 11.218 1.00 . A A . 68 GLN HE21 1 1
1 934 1 1 68 GLN HE22 H 0.448 6.289 10.644 1.00 . A A . 68 GLN HE22 1 1
1 935 1 1 68 GLN HG2 H 3.883 7.695 12.433 1.00 . A A . 68 GLN HG2 1 1
1 936 1 1 68 GLN HG3 H 2.346 8.342 12.996 1.00 . A A . 68 GLN HG3 1 1
1 937 1 1 68 GLN N N 2.940 8.116 8.934 1.00 . A A . 68 GLN N 1 1
1 938 1 1 68 GLN NE2 N 0.930 7.028 11.069 1.00 . A A . 68 GLN NE2 1 1
1 939 1 1 68 GLN O O 5.994 8.231 10.827 1.00 . A A . 68 GLN O 1 1
1 940 1 1 68 GLN OE1 O 2.722 5.801 11.263 1.00 . A A . 68 GLN OE1 1 1
1 941 1 1 69 ILE C C 5.382 4.116 10.504 1.00 . A A . 69 ILE C 1 1
1 942 1 1 69 ILE CA C 5.937 5.544 10.427 1.00 . A A . 69 ILE CA 1 1
1 943 1 1 69 ILE CB C 6.557 5.898 11.786 1.00 . A A . 69 ILE CB 1 1
1 944 1 1 69 ILE CD1 C 8.854 5.369 12.613 1.00 . A A . 69 ILE CD1 1 1
1 945 1 1 69 ILE CG1 C 7.504 4.773 12.215 1.00 . A A . 69 ILE CG1 1 1
1 946 1 1 69 ILE CG2 C 5.456 6.049 12.835 1.00 . A A . 69 ILE CG2 1 1
1 947 1 1 69 ILE H H 4.026 6.173 9.631 1.00 . A A . 69 ILE H 1 1
1 948 1 1 69 ILE HA H 6.705 5.582 9.669 1.00 . A A . 69 ILE HA 1 1
1 949 1 1 69 ILE HB H 7.112 6.819 11.707 1.00 . A A . 69 ILE HB 1 1
1 950 1 1 69 ILE HD11 H 8.964 6.345 12.166 1.00 . A A . 69 ILE HD11 1 1
1 951 1 1 69 ILE HD12 H 8.906 5.457 13.689 1.00 . A A . 69 ILE HD12 1 1
1 952 1 1 69 ILE HD13 H 9.649 4.723 12.268 1.00 . A A . 69 ILE HD13 1 1
1 953 1 1 69 ILE HG12 H 7.078 4.247 13.057 1.00 . A A . 69 ILE HG12 1 1
1 954 1 1 69 ILE HG13 H 7.644 4.087 11.393 1.00 . A A . 69 ILE HG13 1 1
1 955 1 1 69 ILE HG21 H 4.493 5.913 12.367 1.00 . A A . 69 ILE HG21 1 1
1 956 1 1 69 ILE HG22 H 5.590 5.306 13.607 1.00 . A A . 69 ILE HG22 1 1
1 957 1 1 69 ILE HG23 H 5.508 7.036 13.271 1.00 . A A . 69 ILE HG23 1 1
1 958 1 1 69 ILE N N 4.842 6.510 10.067 1.00 . A A . 69 ILE N 1 1
1 959 1 1 69 ILE O O 4.893 3.687 11.529 1.00 . A A . 69 ILE O 1 1
1 960 1 1 70 GLU C C 3.468 1.933 9.689 1.00 . A A . 70 GLU C 1 1
1 961 1 1 70 GLU CA C 4.979 1.963 9.461 1.00 . A A . 70 GLU CA 1 1
1 962 1 1 70 GLU CB C 5.672 1.197 10.587 1.00 . A A . 70 GLU CB 1 1
1 963 1 1 70 GLU CD C 6.919 -0.965 10.496 1.00 . A A . 70 GLU CD 1 1
1 964 1 1 70 GLU CG C 5.549 -0.304 10.327 1.00 . A A . 70 GLU CG 1 1
1 965 1 1 70 GLU H H 5.889 3.729 8.622 1.00 . A A . 70 GLU H 1 1
1 966 1 1 70 GLU HA H 5.206 1.489 8.517 1.00 . A A . 70 GLU HA 1 1
1 967 1 1 70 GLU HB2 H 6.716 1.475 10.624 1.00 . A A . 70 GLU HB2 1 1
1 968 1 1 70 GLU HB3 H 5.201 1.437 11.529 1.00 . A A . 70 GLU HB3 1 1
1 969 1 1 70 GLU HG2 H 4.849 -0.735 11.029 1.00 . A A . 70 GLU HG2 1 1
1 970 1 1 70 GLU HG3 H 5.195 -0.467 9.319 1.00 . A A . 70 GLU HG3 1 1
1 971 1 1 70 GLU N N 5.477 3.370 9.437 1.00 . A A . 70 GLU N 1 1
1 972 1 1 70 GLU O O 2.961 1.140 10.457 1.00 . A A . 70 GLU O 1 1
1 973 1 1 70 GLU OE1 O 7.813 -0.630 9.737 1.00 . A A . 70 GLU OE1 1 1
1 974 1 1 70 GLU OE2 O 7.050 -1.792 11.384 1.00 . A A . 70 GLU OE2 1 1
1 975 1 1 71 ALA C C 0.686 3.633 8.042 1.00 . A A . 71 ALA C 1 1
1 976 1 1 71 ALA CA C 1.273 2.796 9.173 1.00 . A A . 71 ALA CA 1 1
1 977 1 1 71 ALA CB C 0.899 3.412 10.523 1.00 . A A . 71 ALA CB 1 1
1 978 1 1 71 ALA H H 3.169 3.396 8.397 1.00 . A A . 71 ALA H 1 1
1 979 1 1 71 ALA HA H 0.899 1.792 9.110 1.00 . A A . 71 ALA HA 1 1
1 980 1 1 71 ALA HB1 H 1.750 3.944 10.923 1.00 . A A . 71 ALA HB1 1 1
1 981 1 1 71 ALA HB2 H 0.075 4.096 10.390 1.00 . A A . 71 ALA HB2 1 1
1 982 1 1 71 ALA HB3 H 0.610 2.629 11.208 1.00 . A A . 71 ALA HB3 1 1
1 983 1 1 71 ALA N N 2.745 2.777 9.017 1.00 . A A . 71 ALA N 1 1
1 984 1 1 71 ALA O O 0.338 4.780 8.227 1.00 . A A . 71 ALA O 1 1
1 985 1 1 72 GLY C C -1.200 4.624 6.189 1.00 . A A . 72 GLY C 1 1
1 986 1 1 72 GLY CA C 0.034 3.857 5.725 1.00 . A A . 72 GLY CA 1 1
1 987 1 1 72 GLY H H 0.876 2.141 6.733 1.00 . A A . 72 GLY H 1 1
1 988 1 1 72 GLY HA2 H 0.784 4.550 5.375 1.00 . A A . 72 GLY HA2 1 1
1 989 1 1 72 GLY HA3 H -0.239 3.193 4.925 1.00 . A A . 72 GLY HA3 1 1
1 990 1 1 72 GLY N N 0.584 3.073 6.866 1.00 . A A . 72 GLY N 1 1
1 991 1 1 72 GLY O O -1.485 5.703 5.713 1.00 . A A . 72 GLY O 1 1
1 992 1 1 73 TYR C C -3.821 5.626 6.643 1.00 . A A . 73 TYR C 1 1
1 993 1 1 73 TYR CA C -3.148 4.705 7.678 1.00 . A A . 73 TYR CA 1 1
1 994 1 1 73 TYR CB C -2.786 5.493 8.940 1.00 . A A . 73 TYR CB 1 1
1 995 1 1 73 TYR CD1 C -5.069 6.531 9.203 1.00 . A A . 73 TYR CD1 1 1
1 996 1 1 73 TYR CD2 C -4.175 5.205 11.026 1.00 . A A . 73 TYR CD2 1 1
1 997 1 1 73 TYR CE1 C -6.232 6.767 9.946 1.00 . A A . 73 TYR CE1 1 1
1 998 1 1 73 TYR CE2 C -5.339 5.440 11.768 1.00 . A A . 73 TYR CE2 1 1
1 999 1 1 73 TYR CG C -4.040 5.751 9.743 1.00 . A A . 73 TYR CG 1 1
1 1000 1 1 73 TYR CZ C -6.367 6.221 11.228 1.00 . A A . 73 TYR CZ 1 1
1 1001 1 1 73 TYR H H -1.629 3.189 7.479 1.00 . A A . 73 TYR H 1 1
1 1002 1 1 73 TYR HA H -3.848 3.928 7.948 1.00 . A A . 73 TYR HA 1 1
1 1003 1 1 73 TYR HB2 H -2.091 4.916 9.533 1.00 . A A . 73 TYR HB2 1 1
1 1004 1 1 73 TYR HB3 H -2.331 6.431 8.670 1.00 . A A . 73 TYR HB3 1 1
1 1005 1 1 73 TYR HD1 H -4.966 6.952 8.214 1.00 . A A . 73 TYR HD1 1 1
1 1006 1 1 73 TYR HD2 H -3.381 4.602 11.442 1.00 . A A . 73 TYR HD2 1 1
1 1007 1 1 73 TYR HE1 H -7.026 7.370 9.529 1.00 . A A . 73 TYR HE1 1 1
1 1008 1 1 73 TYR HE2 H -5.442 5.019 12.757 1.00 . A A . 73 TYR HE2 1 1
1 1009 1 1 73 TYR HH H -7.860 7.312 11.707 1.00 . A A . 73 TYR HH 1 1
1 1010 1 1 73 TYR N N -1.914 4.059 7.125 1.00 . A A . 73 TYR N 1 1
1 1011 1 1 73 TYR O O -4.725 5.214 5.943 1.00 . A A . 73 TYR O 1 1
1 1012 1 1 73 TYR OH O -7.515 6.453 11.960 1.00 . A A . 73 TYR OH 1 1
1 1013 1 1 74 VAL C C -3.007 8.634 4.831 1.00 . A A . 74 VAL C 1 1
1 1014 1 1 74 VAL CA C -4.059 7.777 5.549 1.00 . A A . 74 VAL CA 1 1
1 1015 1 1 74 VAL CB C -5.045 8.694 6.274 1.00 . A A . 74 VAL CB 1 1
1 1016 1 1 74 VAL CG1 C -4.338 9.384 7.441 1.00 . A A . 74 VAL CG1 1 1
1 1017 1 1 74 VAL CG2 C -5.568 9.750 5.298 1.00 . A A . 74 VAL CG2 1 1
1 1018 1 1 74 VAL H H -2.685 7.198 7.106 1.00 . A A . 74 VAL H 1 1
1 1019 1 1 74 VAL HA H -4.593 7.187 4.820 1.00 . A A . 74 VAL HA 1 1
1 1020 1 1 74 VAL HB H -5.872 8.107 6.650 1.00 . A A . 74 VAL HB 1 1
1 1021 1 1 74 VAL HG11 H -3.926 8.638 8.104 1.00 . A A . 74 VAL HG11 1 1
1 1022 1 1 74 VAL HG12 H -3.543 10.007 7.061 1.00 . A A . 74 VAL HG12 1 1
1 1023 1 1 74 VAL HG13 H -5.047 9.994 7.982 1.00 . A A . 74 VAL HG13 1 1
1 1024 1 1 74 VAL HG21 H -4.734 10.216 4.794 1.00 . A A . 74 VAL HG21 1 1
1 1025 1 1 74 VAL HG22 H -6.211 9.280 4.568 1.00 . A A . 74 VAL HG22 1 1
1 1026 1 1 74 VAL HG23 H -6.125 10.499 5.841 1.00 . A A . 74 VAL HG23 1 1
1 1027 1 1 74 VAL N N -3.408 6.867 6.539 1.00 . A A . 74 VAL N 1 1
1 1028 1 1 74 VAL O O -3.068 8.821 3.633 1.00 . A A . 74 VAL O 1 1
1 1029 1 1 75 LEU C C 0.107 9.120 4.339 1.00 . A A . 75 LEU C 1 1
1 1030 1 1 75 LEU CA C -1.009 10.013 4.891 1.00 . A A . 75 LEU CA 1 1
1 1031 1 1 75 LEU CB C -0.424 10.989 5.914 1.00 . A A . 75 LEU CB 1 1
1 1032 1 1 75 LEU CD1 C -1.244 13.041 4.740 1.00 . A A . 75 LEU CD1 1 1
1 1033 1 1 75 LEU CD2 C 0.799 13.149 6.175 1.00 . A A . 75 LEU CD2 1 1
1 1034 1 1 75 LEU CG C 0.000 12.278 5.205 1.00 . A A . 75 LEU CG 1 1
1 1035 1 1 75 LEU H H -2.018 9.009 6.515 1.00 . A A . 75 LEU H 1 1
1 1036 1 1 75 LEU HA H -1.458 10.568 4.081 1.00 . A A . 75 LEU HA 1 1
1 1037 1 1 75 LEU HB2 H -1.171 11.217 6.661 1.00 . A A . 75 LEU HB2 1 1
1 1038 1 1 75 LEU HB3 H 0.436 10.543 6.389 1.00 . A A . 75 LEU HB3 1 1
1 1039 1 1 75 LEU HD11 H -1.846 12.400 4.114 1.00 . A A . 75 LEU HD11 1 1
1 1040 1 1 75 LEU HD12 H -1.818 13.351 5.600 1.00 . A A . 75 LEU HD12 1 1
1 1041 1 1 75 LEU HD13 H -0.941 13.911 4.177 1.00 . A A . 75 LEU HD13 1 1
1 1042 1 1 75 LEU HD21 H 0.290 13.189 7.127 1.00 . A A . 75 LEU HD21 1 1
1 1043 1 1 75 LEU HD22 H 1.784 12.725 6.311 1.00 . A A . 75 LEU HD22 1 1
1 1044 1 1 75 LEU HD23 H 0.890 14.148 5.772 1.00 . A A . 75 LEU HD23 1 1
1 1045 1 1 75 LEU HG H 0.611 12.032 4.349 1.00 . A A . 75 LEU HG 1 1
1 1046 1 1 75 LEU N N -2.050 9.164 5.548 1.00 . A A . 75 LEU N 1 1
1 1047 1 1 75 LEU O O 1.253 9.218 4.730 1.00 . A A . 75 LEU O 1 1
1 1048 1 1 76 THR C C 1.855 8.155 2.084 1.00 . A A . 76 THR C 1 1
1 1049 1 1 76 THR CA C 0.802 7.341 2.846 1.00 . A A . 76 THR CA 1 1
1 1050 1 1 76 THR CB C 0.124 6.363 1.879 1.00 . A A . 76 THR CB 1 1
1 1051 1 1 76 THR CG2 C -1.291 6.038 2.364 1.00 . A A . 76 THR CG2 1 1
1 1052 1 1 76 THR H H -1.153 8.197 3.129 1.00 . A A . 76 THR H 1 1
1 1053 1 1 76 THR HA H 1.281 6.786 3.638 1.00 . A A . 76 THR HA 1 1
1 1054 1 1 76 THR HB H 0.695 5.453 1.829 1.00 . A A . 76 THR HB 1 1
1 1055 1 1 76 THR HG1 H -0.025 6.243 -0.055 1.00 . A A . 76 THR HG1 1 1
1 1056 1 1 76 THR HG21 H -1.279 5.886 3.434 1.00 . A A . 76 THR HG21 1 1
1 1057 1 1 76 THR HG22 H -1.952 6.856 2.123 1.00 . A A . 76 THR HG22 1 1
1 1058 1 1 76 THR HG23 H -1.639 5.139 1.878 1.00 . A A . 76 THR HG23 1 1
1 1059 1 1 76 THR N N -0.225 8.252 3.428 1.00 . A A . 76 THR N 1 1
1 1060 1 1 76 THR O O 3.012 7.801 2.032 1.00 . A A . 76 THR O 1 1
1 1061 1 1 76 THR OG1 O 0.063 6.950 0.588 1.00 . A A . 76 THR OG1 1 1
1 1062 1 1 77 CYS C C 3.529 10.717 1.589 1.00 . A A . 77 CYS C 1 1
1 1063 1 1 77 CYS CA C 2.448 10.065 0.696 1.00 . A A . 77 CYS CA 1 1
1 1064 1 1 77 CYS CB C 1.722 11.163 -0.101 1.00 . A A . 77 CYS CB 1 1
1 1065 1 1 77 CYS H H 0.524 9.493 1.528 1.00 . A A . 77 CYS H 1 1
1 1066 1 1 77 CYS HA H 2.942 9.413 -0.007 1.00 . A A . 77 CYS HA 1 1
1 1067 1 1 77 CYS HB2 H 2.375 12.015 -0.204 1.00 . A A . 77 CYS HB2 1 1
1 1068 1 1 77 CYS HB3 H 1.477 10.785 -1.083 1.00 . A A . 77 CYS HB3 1 1
1 1069 1 1 77 CYS N N 1.463 9.238 1.482 1.00 . A A . 77 CYS N 1 1
1 1070 1 1 77 CYS O O 4.207 11.631 1.163 1.00 . A A . 77 CYS O 1 1
1 1071 1 1 77 CYS SG S 0.203 11.677 0.739 1.00 . A A . 77 CYS SG 1 1
1 1072 1 1 78 VAL C C 5.745 9.754 4.112 1.00 . A A . 78 VAL C 1 1
1 1073 1 1 78 VAL CA C 4.777 10.864 3.670 1.00 . A A . 78 VAL CA 1 1
1 1074 1 1 78 VAL CB C 4.119 11.504 4.897 1.00 . A A . 78 VAL CB 1 1
1 1075 1 1 78 VAL CG1 C 5.174 11.783 5.970 1.00 . A A . 78 VAL CG1 1 1
1 1076 1 1 78 VAL CG2 C 3.455 12.822 4.487 1.00 . A A . 78 VAL CG2 1 1
1 1077 1 1 78 VAL H H 3.188 9.528 3.144 1.00 . A A . 78 VAL H 1 1
1 1078 1 1 78 VAL HA H 5.319 11.615 3.115 1.00 . A A . 78 VAL HA 1 1
1 1079 1 1 78 VAL HB H 3.371 10.833 5.295 1.00 . A A . 78 VAL HB 1 1
1 1080 1 1 78 VAL HG11 H 6.152 11.531 5.587 1.00 . A A . 78 VAL HG11 1 1
1 1081 1 1 78 VAL HG12 H 5.150 12.830 6.234 1.00 . A A . 78 VAL HG12 1 1
1 1082 1 1 78 VAL HG13 H 4.965 11.186 6.845 1.00 . A A . 78 VAL HG13 1 1
1 1083 1 1 78 VAL HG21 H 4.071 13.321 3.754 1.00 . A A . 78 VAL HG21 1 1
1 1084 1 1 78 VAL HG22 H 2.484 12.619 4.062 1.00 . A A . 78 VAL HG22 1 1
1 1085 1 1 78 VAL HG23 H 3.344 13.455 5.355 1.00 . A A . 78 VAL HG23 1 1
1 1086 1 1 78 VAL N N 3.722 10.263 2.802 1.00 . A A . 78 VAL N 1 1
1 1087 1 1 78 VAL O O 5.812 9.405 5.273 1.00 . A A . 78 VAL O 1 1
1 1088 1 1 79 ALA C C 8.859 8.413 3.245 1.00 . A A . 79 ALA C 1 1
1 1089 1 1 79 ALA CA C 7.400 8.060 3.565 1.00 . A A . 79 ALA CA 1 1
1 1090 1 1 79 ALA CB C 7.016 6.805 2.785 1.00 . A A . 79 ALA CB 1 1
1 1091 1 1 79 ALA H H 6.389 9.444 2.251 1.00 . A A . 79 ALA H 1 1
1 1092 1 1 79 ALA HA H 7.303 7.865 4.612 1.00 . A A . 79 ALA HA 1 1
1 1093 1 1 79 ALA HB1 H 6.191 7.032 2.129 1.00 . A A . 79 ALA HB1 1 1
1 1094 1 1 79 ALA HB2 H 7.860 6.473 2.199 1.00 . A A . 79 ALA HB2 1 1
1 1095 1 1 79 ALA HB3 H 6.726 6.025 3.472 1.00 . A A . 79 ALA HB3 1 1
1 1096 1 1 79 ALA N N 6.471 9.170 3.188 1.00 . A A . 79 ALA N 1 1
1 1097 1 1 79 ALA O O 9.155 9.472 2.738 1.00 . A A . 79 ALA O 1 1
1 1098 1 1 80 TYR C C 11.571 6.620 2.208 1.00 . A A . 80 TYR C 1 1
1 1099 1 1 80 TYR CA C 11.199 7.721 3.224 1.00 . A A . 80 TYR CA 1 1
1 1100 1 1 80 TYR CB C 11.979 7.635 4.548 1.00 . A A . 80 TYR CB 1 1
1 1101 1 1 80 TYR CD1 C 12.952 9.905 3.973 1.00 . A A . 80 TYR CD1 1 1
1 1102 1 1 80 TYR CD2 C 14.317 8.327 5.211 1.00 . A A . 80 TYR CD2 1 1
1 1103 1 1 80 TYR CE1 C 13.999 10.833 4.007 1.00 . A A . 80 TYR CE1 1 1
1 1104 1 1 80 TYR CE2 C 15.362 9.257 5.244 1.00 . A A . 80 TYR CE2 1 1
1 1105 1 1 80 TYR CG C 13.110 8.646 4.573 1.00 . A A . 80 TYR CG 1 1
1 1106 1 1 80 TYR CZ C 15.204 10.509 4.642 1.00 . A A . 80 TYR CZ 1 1
1 1107 1 1 80 TYR H H 9.499 6.647 3.912 1.00 . A A . 80 TYR H 1 1
1 1108 1 1 80 TYR HA H 11.319 8.682 2.775 1.00 . A A . 80 TYR HA 1 1
1 1109 1 1 80 TYR HB2 H 11.306 7.855 5.361 1.00 . A A . 80 TYR HB2 1 1
1 1110 1 1 80 TYR HB3 H 12.369 6.641 4.675 1.00 . A A . 80 TYR HB3 1 1
1 1111 1 1 80 TYR HD1 H 12.025 10.161 3.486 1.00 . A A . 80 TYR HD1 1 1
1 1112 1 1 80 TYR HD2 H 14.443 7.359 5.674 1.00 . A A . 80 TYR HD2 1 1
1 1113 1 1 80 TYR HE1 H 13.879 11.799 3.543 1.00 . A A . 80 TYR HE1 1 1
1 1114 1 1 80 TYR HE2 H 16.291 9.008 5.736 1.00 . A A . 80 TYR HE2 1 1
1 1115 1 1 80 TYR HH H 16.823 11.234 3.941 1.00 . A A . 80 TYR HH 1 1
1 1116 1 1 80 TYR N N 9.766 7.501 3.523 1.00 . A A . 80 TYR N 1 1
1 1117 1 1 80 TYR O O 10.678 6.173 1.520 1.00 . A A . 80 TYR O 1 1
1 1118 1 1 80 TYR OH O 16.234 11.426 4.673 1.00 . A A . 80 TYR OH 1 1
1 1119 1 1 81 PRO C C 12.056 4.001 1.256 1.00 . A A . 81 PRO C 1 1
1 1120 1 1 81 PRO CA C 13.110 5.120 1.116 1.00 . A A . 81 PRO CA 1 1
1 1121 1 1 81 PRO CB C 14.546 4.678 1.436 1.00 . A A . 81 PRO CB 1 1
1 1122 1 1 81 PRO CD C 13.984 6.643 2.864 1.00 . A A . 81 PRO CD 1 1
1 1123 1 1 81 PRO CG C 15.141 5.743 2.390 1.00 . A A . 81 PRO CG 1 1
1 1124 1 1 81 PRO HA H 13.078 5.530 0.120 1.00 . A A . 81 PRO HA 1 1
1 1125 1 1 81 PRO HB2 H 14.547 3.710 1.910 1.00 . A A . 81 PRO HB2 1 1
1 1126 1 1 81 PRO HB3 H 15.128 4.642 0.529 1.00 . A A . 81 PRO HB3 1 1
1 1127 1 1 81 PRO HD2 H 13.838 6.500 3.915 1.00 . A A . 81 PRO HD2 1 1
1 1128 1 1 81 PRO HD3 H 14.193 7.678 2.645 1.00 . A A . 81 PRO HD3 1 1
1 1129 1 1 81 PRO HG2 H 15.604 5.258 3.238 1.00 . A A . 81 PRO HG2 1 1
1 1130 1 1 81 PRO HG3 H 15.871 6.339 1.864 1.00 . A A . 81 PRO HG3 1 1
1 1131 1 1 81 PRO N N 12.813 6.178 2.094 1.00 . A A . 81 PRO N 1 1
1 1132 1 1 81 PRO O O 11.011 4.098 0.659 1.00 . A A . 81 PRO O 1 1
1 1133 1 1 82 THR C C 11.961 0.500 1.968 1.00 . A A . 82 THR C 1 1
1 1134 1 1 82 THR CA C 11.318 1.853 2.276 1.00 . A A . 82 THR CA 1 1
1 1135 1 1 82 THR CB C 10.043 1.996 1.423 1.00 . A A . 82 THR CB 1 1
1 1136 1 1 82 THR CG2 C 10.365 1.792 -0.062 1.00 . A A . 82 THR CG2 1 1
1 1137 1 1 82 THR H H 13.162 2.953 2.523 1.00 . A A . 82 THR H 1 1
1 1138 1 1 82 THR HA H 11.035 1.865 3.317 1.00 . A A . 82 THR HA 1 1
1 1139 1 1 82 THR HB H 9.614 2.975 1.569 1.00 . A A . 82 THR HB 1 1
1 1140 1 1 82 THR HG1 H 9.107 0.979 2.792 1.00 . A A . 82 THR HG1 1 1
1 1141 1 1 82 THR HG21 H 11.417 1.971 -0.229 1.00 . A A . 82 THR HG21 1 1
1 1142 1 1 82 THR HG22 H 10.121 0.779 -0.348 1.00 . A A . 82 THR HG22 1 1
1 1143 1 1 82 THR HG23 H 9.785 2.484 -0.655 1.00 . A A . 82 THR HG23 1 1
1 1144 1 1 82 THR N N 12.311 2.978 2.048 1.00 . A A . 82 THR N 1 1
1 1145 1 1 82 THR O O 11.854 -0.013 0.878 1.00 . A A . 82 THR O 1 1
1 1146 1 1 82 THR OG1 O 9.101 1.013 1.833 1.00 . A A . 82 THR OG1 1 1
1 1147 1 1 83 SER C C 12.189 -2.399 2.139 1.00 . A A . 83 SER C 1 1
1 1148 1 1 83 SER CA C 13.244 -1.417 2.670 1.00 . A A . 83 SER CA 1 1
1 1149 1 1 83 SER CB C 13.843 -1.954 3.972 1.00 . A A . 83 SER CB 1 1
1 1150 1 1 83 SER H H 12.689 0.321 3.803 1.00 . A A . 83 SER H 1 1
1 1151 1 1 83 SER HA H 14.025 -1.300 1.940 1.00 . A A . 83 SER HA 1 1
1 1152 1 1 83 SER HB2 H 14.234 -1.137 4.553 1.00 . A A . 83 SER HB2 1 1
1 1153 1 1 83 SER HB3 H 13.076 -2.461 4.539 1.00 . A A . 83 SER HB3 1 1
1 1154 1 1 83 SER HG H 15.579 -2.368 3.195 1.00 . A A . 83 SER HG 1 1
1 1155 1 1 83 SER N N 12.615 -0.095 2.923 1.00 . A A . 83 SER N 1 1
1 1156 1 1 83 SER O O 12.513 -3.409 1.548 1.00 . A A . 83 SER O 1 1
1 1157 1 1 83 SER OG O 14.898 -2.856 3.664 1.00 . A A . 83 SER OG 1 1
1 1158 1 1 84 ASP C C 8.491 -2.353 2.011 1.00 . A A . 84 ASP C 1 1
1 1159 1 1 84 ASP CA C 9.857 -3.027 1.848 1.00 . A A . 84 ASP CA 1 1
1 1160 1 1 84 ASP CB C 9.878 -4.319 2.667 1.00 . A A . 84 ASP CB 1 1
1 1161 1 1 84 ASP CG C 10.289 -4.010 4.106 1.00 . A A . 84 ASP CG 1 1
1 1162 1 1 84 ASP H H 10.687 -1.287 2.824 1.00 . A A . 84 ASP H 1 1
1 1163 1 1 84 ASP HA H 10.027 -3.254 0.807 1.00 . A A . 84 ASP HA 1 1
1 1164 1 1 84 ASP HB2 H 8.892 -4.760 2.664 1.00 . A A . 84 ASP HB2 1 1
1 1165 1 1 84 ASP HB3 H 10.584 -5.010 2.233 1.00 . A A . 84 ASP HB3 1 1
1 1166 1 1 84 ASP N N 10.929 -2.108 2.344 1.00 . A A . 84 ASP N 1 1
1 1167 1 1 84 ASP O O 8.371 -1.340 2.670 1.00 . A A . 84 ASP O 1 1
1 1168 1 1 84 ASP OD1 O 11.460 -3.751 4.324 1.00 . A A . 84 ASP OD1 1 1
1 1169 1 1 84 ASP OD2 O 9.425 -4.039 4.967 1.00 . A A . 84 ASP OD2 1 1
1 1170 1 1 85 CYS C C 5.114 -3.348 2.073 1.00 . A A . 85 CYS C 1 1
1 1171 1 1 85 CYS CA C 6.118 -2.288 1.602 1.00 . A A . 85 CYS CA 1 1
1 1172 1 1 85 CYS CB C 5.674 -1.607 0.304 1.00 . A A . 85 CYS CB 1 1
1 1173 1 1 85 CYS H H 7.545 -3.734 0.925 1.00 . A A . 85 CYS H 1 1
1 1174 1 1 85 CYS HA H 6.202 -1.552 2.358 1.00 . A A . 85 CYS HA 1 1
1 1175 1 1 85 CYS HB2 H 6.539 -1.412 -0.317 1.00 . A A . 85 CYS HB2 1 1
1 1176 1 1 85 CYS HB3 H 4.979 -2.234 -0.224 1.00 . A A . 85 CYS HB3 1 1
1 1177 1 1 85 CYS HG H 4.857 0.500 -0.081 1.00 . A A . 85 CYS HG 1 1
1 1178 1 1 85 CYS N N 7.451 -2.910 1.439 1.00 . A A . 85 CYS N 1 1
1 1179 1 1 85 CYS O O 5.444 -4.512 2.185 1.00 . A A . 85 CYS O 1 1
1 1180 1 1 85 CYS SG S 4.879 -0.036 0.714 1.00 . A A . 85 CYS SG 1 1
1 1181 1 1 86 THR C C 1.572 -3.243 2.954 1.00 . A A . 86 THR C 1 1
1 1182 1 1 86 THR CA C 2.916 -3.935 2.908 1.00 . A A . 86 THR CA 1 1
1 1183 1 1 86 THR CB C 3.298 -4.308 4.340 1.00 . A A . 86 THR CB 1 1
1 1184 1 1 86 THR CG2 C 2.545 -5.570 4.760 1.00 . A A . 86 THR CG2 1 1
1 1185 1 1 86 THR H H 3.650 -2.018 2.334 1.00 . A A . 86 THR H 1 1
1 1186 1 1 86 THR HA H 2.879 -4.812 2.282 1.00 . A A . 86 THR HA 1 1
1 1187 1 1 86 THR HB H 3.026 -3.488 5.006 1.00 . A A . 86 THR HB 1 1
1 1188 1 1 86 THR HG1 H 4.870 -5.097 5.174 1.00 . A A . 86 THR HG1 1 1
1 1189 1 1 86 THR HG21 H 2.648 -6.323 3.991 1.00 . A A . 86 THR HG21 1 1
1 1190 1 1 86 THR HG22 H 2.955 -5.943 5.686 1.00 . A A . 86 THR HG22 1 1
1 1191 1 1 86 THR HG23 H 1.500 -5.336 4.897 1.00 . A A . 86 THR HG23 1 1
1 1192 1 1 86 THR N N 3.906 -2.959 2.397 1.00 . A A . 86 THR N 1 1
1 1193 1 1 86 THR O O 1.401 -2.303 3.699 1.00 . A A . 86 THR O 1 1
1 1194 1 1 86 THR OG1 O 4.699 -4.537 4.412 1.00 . A A . 86 THR OG1 1 1
1 1195 1 1 87 ILE C C -1.843 -3.898 2.416 1.00 . A A . 87 ILE C 1 1
1 1196 1 1 87 ILE CA C -0.691 -2.942 2.321 1.00 . A A . 87 ILE CA 1 1
1 1197 1 1 87 ILE CB C -0.928 -1.990 1.143 1.00 . A A . 87 ILE CB 1 1
1 1198 1 1 87 ILE CD1 C -2.109 -0.601 2.877 1.00 . A A . 87 ILE CD1 1 1
1 1199 1 1 87 ILE CG1 C -2.126 -1.069 1.428 1.00 . A A . 87 ILE CG1 1 1
1 1200 1 1 87 ILE CG2 C -1.263 -2.796 -0.102 1.00 . A A . 87 ILE CG2 1 1
1 1201 1 1 87 ILE H H 0.707 -4.447 1.610 1.00 . A A . 87 ILE H 1 1
1 1202 1 1 87 ILE HA H -0.660 -2.372 3.230 1.00 . A A . 87 ILE HA 1 1
1 1203 1 1 87 ILE HB H -0.044 -1.398 0.977 1.00 . A A . 87 ILE HB 1 1
1 1204 1 1 87 ILE HD11 H -1.148 -0.800 3.297 1.00 . A A . 87 ILE HD11 1 1
1 1205 1 1 87 ILE HD12 H -2.308 0.458 2.918 1.00 . A A . 87 ILE HD12 1 1
1 1206 1 1 87 ILE HD13 H -2.861 -1.133 3.436 1.00 . A A . 87 ILE HD13 1 1
1 1207 1 1 87 ILE HG12 H -2.079 -0.212 0.776 1.00 . A A . 87 ILE HG12 1 1
1 1208 1 1 87 ILE HG13 H -3.042 -1.609 1.239 1.00 . A A . 87 ILE HG13 1 1
1 1209 1 1 87 ILE HG21 H -1.074 -3.839 0.082 1.00 . A A . 87 ILE HG21 1 1
1 1210 1 1 87 ILE HG22 H -2.306 -2.659 -0.347 1.00 . A A . 87 ILE HG22 1 1
1 1211 1 1 87 ILE HG23 H -0.658 -2.458 -0.923 1.00 . A A . 87 ILE HG23 1 1
1 1212 1 1 87 ILE N N 0.599 -3.668 2.208 1.00 . A A . 87 ILE N 1 1
1 1213 1 1 87 ILE O O -2.009 -4.814 1.617 1.00 . A A . 87 ILE O 1 1
1 1214 1 1 88 GLU C C -4.959 -3.943 2.702 1.00 . A A . 88 GLU C 1 1
1 1215 1 1 88 GLU CA C -3.837 -4.501 3.564 1.00 . A A . 88 GLU CA 1 1
1 1216 1 1 88 GLU CB C -4.257 -4.520 5.034 1.00 . A A . 88 GLU CB 1 1
1 1217 1 1 88 GLU CD C -4.984 -6.892 5.327 1.00 . A A . 88 GLU CD 1 1
1 1218 1 1 88 GLU CG C -3.890 -5.872 5.649 1.00 . A A . 88 GLU CG 1 1
1 1219 1 1 88 GLU H H -2.503 -2.904 3.989 1.00 . A A . 88 GLU H 1 1
1 1220 1 1 88 GLU HA H -3.607 -5.507 3.244 1.00 . A A . 88 GLU HA 1 1
1 1221 1 1 88 GLU HB2 H -3.746 -3.731 5.565 1.00 . A A . 88 GLU HB2 1 1
1 1222 1 1 88 GLU HB3 H -5.323 -4.376 5.106 1.00 . A A . 88 GLU HB3 1 1
1 1223 1 1 88 GLU HG2 H -2.949 -6.210 5.239 1.00 . A A . 88 GLU HG2 1 1
1 1224 1 1 88 GLU HG3 H -3.801 -5.768 6.720 1.00 . A A . 88 GLU HG3 1 1
1 1225 1 1 88 GLU N N -2.662 -3.660 3.386 1.00 . A A . 88 GLU N 1 1
1 1226 1 1 88 GLU O O -6.067 -3.762 3.161 1.00 . A A . 88 GLU O 1 1
1 1227 1 1 88 GLU OE1 O -6.098 -6.701 5.787 1.00 . A A . 88 GLU OE1 1 1
1 1228 1 1 88 GLU OE2 O -4.689 -7.845 4.625 1.00 . A A . 88 GLU OE2 1 1
1 1229 1 1 89 THR C C -6.605 -4.566 0.284 1.00 . A A . 89 THR C 1 1
1 1230 1 1 89 THR CA C -5.841 -3.276 0.582 1.00 . A A . 89 THR CA 1 1
1 1231 1 1 89 THR CB C -5.337 -2.647 -0.714 1.00 . A A . 89 THR CB 1 1
1 1232 1 1 89 THR CG2 C -6.534 -2.173 -1.536 1.00 . A A . 89 THR CG2 1 1
1 1233 1 1 89 THR H H -3.821 -3.907 1.034 1.00 . A A . 89 THR H 1 1
1 1234 1 1 89 THR HA H -6.472 -2.584 1.125 1.00 . A A . 89 THR HA 1 1
1 1235 1 1 89 THR HB H -4.781 -3.376 -1.281 1.00 . A A . 89 THR HB 1 1
1 1236 1 1 89 THR HG1 H -5.053 -0.757 -0.352 1.00 . A A . 89 THR HG1 1 1
1 1237 1 1 89 THR HG21 H -7.322 -1.850 -0.873 1.00 . A A . 89 THR HG21 1 1
1 1238 1 1 89 THR HG22 H -6.235 -1.351 -2.168 1.00 . A A . 89 THR HG22 1 1
1 1239 1 1 89 THR HG23 H -6.893 -2.986 -2.150 1.00 . A A . 89 THR HG23 1 1
1 1240 1 1 89 THR N N -4.713 -3.717 1.434 1.00 . A A . 89 THR N 1 1
1 1241 1 1 89 THR O O -7.715 -4.576 -0.210 1.00 . A A . 89 THR O 1 1
1 1242 1 1 89 THR OG1 O -4.500 -1.540 -0.407 1.00 . A A . 89 THR OG1 1 1
1 1243 1 1 90 HIS C C -7.783 -7.170 1.303 1.00 . A A . 90 HIS C 1 1
1 1244 1 1 90 HIS CA C -6.518 -7.012 0.452 1.00 . A A . 90 HIS CA 1 1
1 1245 1 1 90 HIS CB C -5.428 -7.973 0.941 1.00 . A A . 90 HIS CB 1 1
1 1246 1 1 90 HIS CD2 C -5.939 -10.326 1.992 1.00 . A A . 90 HIS CD2 1 1
1 1247 1 1 90 HIS CE1 C -6.994 -11.199 0.314 1.00 . A A . 90 HIS CE1 1 1
1 1248 1 1 90 HIS CG C -5.967 -9.375 1.002 1.00 . A A . 90 HIS CG 1 1
1 1249 1 1 90 HIS H H -5.081 -5.588 1.029 1.00 . A A . 90 HIS H 1 1
1 1250 1 1 90 HIS HA H -6.738 -7.198 -0.586 1.00 . A A . 90 HIS HA 1 1
1 1251 1 1 90 HIS HB2 H -4.583 -7.928 0.269 1.00 . A A . 90 HIS HB2 1 1
1 1252 1 1 90 HIS HB3 H -5.094 -7.666 1.927 1.00 . A A . 90 HIS HB3 1 1
1 1253 1 1 90 HIS HD1 H -6.837 -9.533 -0.923 1.00 . A A . 90 HIS HD1 1 1
1 1254 1 1 90 HIS HD2 H -5.483 -10.201 2.963 1.00 . A A . 90 HIS HD2 1 1
1 1255 1 1 90 HIS HE1 H -7.536 -11.890 -0.316 1.00 . A A . 90 HIS HE1 1 1
1 1256 1 1 90 HIS N N -5.966 -5.662 0.627 1.00 . A A . 90 HIS N 1 1
1 1257 1 1 90 HIS ND1 N -6.645 -9.954 -0.059 1.00 . A A . 90 HIS ND1 1 1
1 1258 1 1 90 HIS NE2 N -6.589 -11.477 1.556 1.00 . A A . 90 HIS NE2 1 1
1 1259 1 1 90 HIS O O -7.933 -6.530 2.324 1.00 . A A . 90 HIS O 1 1
1 1260 1 1 91 LYS C C -10.981 -7.152 1.319 1.00 . A A . 91 LYS C 1 1
1 1261 1 1 91 LYS CA C -9.950 -8.233 1.665 1.00 . A A . 91 LYS CA 1 1
1 1262 1 1 91 LYS CB C -9.651 -8.190 3.167 1.00 . A A . 91 LYS CB 1 1
1 1263 1 1 91 LYS CD C -9.869 -9.580 5.234 1.00 . A A . 91 LYS CD 1 1
1 1264 1 1 91 LYS CE C -9.765 -8.322 6.098 1.00 . A A . 91 LYS CE 1 1
1 1265 1 1 91 LYS CG C -10.512 -9.226 3.890 1.00 . A A . 91 LYS CG 1 1
1 1266 1 1 91 LYS H H -8.539 -8.521 0.059 1.00 . A A . 91 LYS H 1 1
1 1267 1 1 91 LYS HA H -10.358 -9.202 1.415 1.00 . A A . 91 LYS HA 1 1
1 1268 1 1 91 LYS HB2 H -8.605 -8.410 3.331 1.00 . A A . 91 LYS HB2 1 1
1 1269 1 1 91 LYS HB3 H -9.876 -7.206 3.550 1.00 . A A . 91 LYS HB3 1 1
1 1270 1 1 91 LYS HD2 H -10.475 -10.317 5.741 1.00 . A A . 91 LYS HD2 1 1
1 1271 1 1 91 LYS HD3 H -8.881 -9.981 5.066 1.00 . A A . 91 LYS HD3 1 1
1 1272 1 1 91 LYS HE2 H -8.749 -7.956 6.082 1.00 . A A . 91 LYS HE2 1 1
1 1273 1 1 91 LYS HE3 H -10.428 -7.562 5.710 1.00 . A A . 91 LYS HE3 1 1
1 1274 1 1 91 LYS HG2 H -11.499 -8.820 4.059 1.00 . A A . 91 LYS HG2 1 1
1 1275 1 1 91 LYS HG3 H -10.588 -10.117 3.286 1.00 . A A . 91 LYS HG3 1 1
1 1276 1 1 91 LYS HZ1 H -10.877 -9.392 7.497 1.00 . A A . 91 LYS HZ1 1 1
1 1277 1 1 91 LYS HZ2 H -9.316 -8.984 8.021 1.00 . A A . 91 LYS HZ2 1 1
1 1278 1 1 91 LYS HZ3 H -10.529 -7.796 7.962 1.00 . A A . 91 LYS HZ3 1 1
1 1279 1 1 91 LYS N N -8.689 -8.019 0.888 1.00 . A A . 91 LYS N 1 1
1 1280 1 1 91 LYS NZ N -10.151 -8.649 7.501 1.00 . A A . 91 LYS NZ 1 1
1 1281 1 1 91 LYS O O -12.170 -7.402 1.316 1.00 . A A . 91 LYS O 1 1
1 1282 1 1 92 GLU C C -12.426 -4.605 1.893 1.00 . A A . 92 GLU C 1 1
1 1283 1 1 92 GLU CA C -11.513 -4.870 0.694 1.00 . A A . 92 GLU CA 1 1
1 1284 1 1 92 GLU CB C -12.367 -5.294 -0.505 1.00 . A A . 92 GLU CB 1 1
1 1285 1 1 92 GLU CD C -11.353 -3.976 -2.371 1.00 . A A . 92 GLU CD 1 1
1 1286 1 1 92 GLU CG C -11.492 -5.371 -1.758 1.00 . A A . 92 GLU CG 1 1
1 1287 1 1 92 GLU H H -9.586 -5.764 1.042 1.00 . A A . 92 GLU H 1 1
1 1288 1 1 92 GLU HA H -10.971 -3.968 0.448 1.00 . A A . 92 GLU HA 1 1
1 1289 1 1 92 GLU HB2 H -12.806 -6.261 -0.312 1.00 . A A . 92 GLU HB2 1 1
1 1290 1 1 92 GLU HB3 H -13.151 -4.567 -0.662 1.00 . A A . 92 GLU HB3 1 1
1 1291 1 1 92 GLU HG2 H -10.517 -5.749 -1.492 1.00 . A A . 92 GLU HG2 1 1
1 1292 1 1 92 GLU HG3 H -11.953 -6.033 -2.476 1.00 . A A . 92 GLU HG3 1 1
1 1293 1 1 92 GLU N N -10.546 -5.953 1.033 1.00 . A A . 92 GLU N 1 1
1 1294 1 1 92 GLU O O -13.433 -3.935 1.781 1.00 . A A . 92 GLU O 1 1
1 1295 1 1 92 GLU OE1 O -11.687 -3.018 -1.695 1.00 . A A . 92 GLU OE1 1 1
1 1296 1 1 92 GLU OE2 O -10.916 -3.891 -3.506 1.00 . A A . 92 GLU OE2 1 1
1 1297 1 1 93 GLU C C -14.376 -5.323 3.911 1.00 . A A . 93 GLU C 1 1
1 1298 1 1 93 GLU CA C -12.943 -4.904 4.237 1.00 . A A . 93 GLU CA 1 1
1 1299 1 1 93 GLU CB C -12.918 -3.421 4.616 1.00 . A A . 93 GLU CB 1 1
1 1300 1 1 93 GLU CD C -11.845 -2.565 6.703 1.00 . A A . 93 GLU CD 1 1
1 1301 1 1 93 GLU CG C -11.585 -3.088 5.289 1.00 . A A . 93 GLU CG 1 1
1 1302 1 1 93 GLU H H -11.273 -5.668 3.111 1.00 . A A . 93 GLU H 1 1
1 1303 1 1 93 GLU HA H -12.572 -5.494 5.062 1.00 . A A . 93 GLU HA 1 1
1 1304 1 1 93 GLU HB2 H -13.033 -2.820 3.726 1.00 . A A . 93 GLU HB2 1 1
1 1305 1 1 93 GLU HB3 H -13.726 -3.211 5.300 1.00 . A A . 93 GLU HB3 1 1
1 1306 1 1 93 GLU HG2 H -10.974 -3.978 5.340 1.00 . A A . 93 GLU HG2 1 1
1 1307 1 1 93 GLU HG3 H -11.072 -2.330 4.717 1.00 . A A . 93 GLU HG3 1 1
1 1308 1 1 93 GLU N N -12.086 -5.127 3.040 1.00 . A A . 93 GLU N 1 1
1 1309 1 1 93 GLU O O -15.327 -4.825 4.481 1.00 . A A . 93 GLU O 1 1
1 1310 1 1 93 GLU OE1 O -12.682 -3.137 7.381 1.00 . A A . 93 GLU OE1 1 1
1 1311 1 1 93 GLU OE2 O -11.202 -1.600 7.084 1.00 . A A . 93 GLU OE2 1 1
1 1312 1 1 94 ASP C C -15.865 -8.189 2.319 1.00 . A A . 94 ASP C 1 1
1 1313 1 1 94 ASP CA C -15.894 -6.691 2.620 1.00 . A A . 94 ASP CA 1 1
1 1314 1 1 94 ASP CB C -16.367 -5.928 1.383 1.00 . A A . 94 ASP CB 1 1
1 1315 1 1 94 ASP CG C -17.483 -4.958 1.772 1.00 . A A . 94 ASP CG 1 1
1 1316 1 1 94 ASP H H -13.764 -6.620 2.550 1.00 . A A . 94 ASP H 1 1
1 1317 1 1 94 ASP HA H -16.559 -6.503 3.436 1.00 . A A . 94 ASP HA 1 1
1 1318 1 1 94 ASP HB2 H -15.539 -5.376 0.963 1.00 . A A . 94 ASP HB2 1 1
1 1319 1 1 94 ASP HB3 H -16.740 -6.628 0.651 1.00 . A A . 94 ASP HB3 1 1
1 1320 1 1 94 ASP N N -14.536 -6.235 2.992 1.00 . A A . 94 ASP N 1 1
1 1321 1 1 94 ASP O O -16.686 -8.947 2.795 1.00 . A A . 94 ASP O 1 1
1 1322 1 1 94 ASP OD1 O -17.580 -4.638 2.945 1.00 . A A . 94 ASP OD1 1 1
1 1323 1 1 94 ASP OD2 O -18.221 -4.549 0.890 1.00 . A A . 94 ASP OD2 1 1
1 1324 1 1 95 LEU C C -13.430 -10.386 0.679 1.00 . A A . 95 LEU C 1 1
1 1325 1 1 95 LEU CA C -14.834 -10.068 1.192 1.00 . A A . 95 LEU CA 1 1
1 1326 1 1 95 LEU CB C -15.860 -10.401 0.107 1.00 . A A . 95 LEU CB 1 1
1 1327 1 1 95 LEU CD1 C -17.280 -12.455 0.212 1.00 . A A . 95 LEU CD1 1 1
1 1328 1 1 95 LEU CD2 C -15.567 -12.211 -1.587 1.00 . A A . 95 LEU CD2 1 1
1 1329 1 1 95 LEU CG C -15.889 -11.913 -0.122 1.00 . A A . 95 LEU CG 1 1
1 1330 1 1 95 LEU H H -14.273 -7.988 1.159 1.00 . A A . 95 LEU H 1 1
1 1331 1 1 95 LEU HA H -15.036 -10.656 2.071 1.00 . A A . 95 LEU HA 1 1
1 1332 1 1 95 LEU HB2 H -16.839 -10.065 0.421 1.00 . A A . 95 LEU HB2 1 1
1 1333 1 1 95 LEU HB3 H -15.588 -9.906 -0.812 1.00 . A A . 95 LEU HB3 1 1
1 1334 1 1 95 LEU HD11 H -18.031 -11.784 -0.177 1.00 . A A . 95 LEU HD11 1 1
1 1335 1 1 95 LEU HD12 H -17.402 -13.431 -0.235 1.00 . A A . 95 LEU HD12 1 1
1 1336 1 1 95 LEU HD13 H -17.389 -12.534 1.284 1.00 . A A . 95 LEU HD13 1 1
1 1337 1 1 95 LEU HD21 H -15.669 -11.306 -2.170 1.00 . A A . 95 LEU HD21 1 1
1 1338 1 1 95 LEU HD22 H -14.554 -12.577 -1.667 1.00 . A A . 95 LEU HD22 1 1
1 1339 1 1 95 LEU HD23 H -16.250 -12.959 -1.962 1.00 . A A . 95 LEU HD23 1 1
1 1340 1 1 95 LEU HG H -15.156 -12.387 0.514 1.00 . A A . 95 LEU HG 1 1
1 1341 1 1 95 LEU N N -14.923 -8.619 1.530 1.00 . A A . 95 LEU N 1 1
1 1342 1 1 95 LEU O O -12.666 -11.083 1.317 1.00 . A A . 95 LEU O 1 1
1 1343 1 1 96 TYR C C -11.249 -8.905 -1.780 1.00 . A A . 96 TYR C 1 1
1 1344 1 1 96 TYR CA C -11.746 -10.145 -1.034 1.00 . A A . 96 TYR CA 1 1
1 1345 1 1 96 TYR CB C -11.830 -11.327 -1.999 1.00 . A A . 96 TYR CB 1 1
1 1346 1 1 96 TYR CD1 C -9.347 -11.704 -2.020 1.00 . A A . 96 TYR CD1 1 1
1 1347 1 1 96 TYR CD2 C -10.500 -11.397 -4.129 1.00 . A A . 96 TYR CD2 1 1
1 1348 1 1 96 TYR CE1 C -8.136 -11.850 -2.702 1.00 . A A . 96 TYR CE1 1 1
1 1349 1 1 96 TYR CE2 C -9.291 -11.544 -4.813 1.00 . A A . 96 TYR CE2 1 1
1 1350 1 1 96 TYR CG C -10.527 -11.477 -2.733 1.00 . A A . 96 TYR CG 1 1
1 1351 1 1 96 TYR CZ C -8.107 -11.770 -4.100 1.00 . A A . 96 TYR CZ 1 1
1 1352 1 1 96 TYR H H -13.712 -9.329 -0.962 1.00 . A A . 96 TYR H 1 1
1 1353 1 1 96 TYR HA H -11.073 -10.378 -0.235 1.00 . A A . 96 TYR HA 1 1
1 1354 1 1 96 TYR HB2 H -12.033 -12.232 -1.446 1.00 . A A . 96 TYR HB2 1 1
1 1355 1 1 96 TYR HB3 H -12.622 -11.152 -2.710 1.00 . A A . 96 TYR HB3 1 1
1 1356 1 1 96 TYR HD1 H -9.369 -11.765 -0.942 1.00 . A A . 96 TYR HD1 1 1
1 1357 1 1 96 TYR HD2 H -11.413 -11.221 -4.677 1.00 . A A . 96 TYR HD2 1 1
1 1358 1 1 96 TYR HE1 H -7.226 -12.024 -2.151 1.00 . A A . 96 TYR HE1 1 1
1 1359 1 1 96 TYR HE2 H -9.273 -11.481 -5.890 1.00 . A A . 96 TYR HE2 1 1
1 1360 1 1 96 TYR HH H -7.061 -12.506 -5.517 1.00 . A A . 96 TYR HH 1 1
1 1361 1 1 96 TYR N N -13.088 -9.880 -0.471 1.00 . A A . 96 TYR N 1 1
1 1362 1 1 96 TYR O O -11.473 -8.830 -2.977 1.00 . A A . 96 TYR O 1 1
1 1363 1 1 96 TYR OXT O -10.656 -8.051 -1.142 1.00 . A A . 96 TYR OXT 1 1
1 1364 1 1 96 TYR OH O -6.912 -11.916 -4.775 1.00 . A A . 96 TYR OH 1 1
1 1365 2 2 1 FES FE1 FE -3.004 13.196 -1.773 1.00 . B A . 97 FES FE1 1 1
1 1366 2 2 1 FES FE2 FE -1.859 11.238 -0.159 1.00 . B A . 97 FES FE2 1 1
2 1367 1 1 1 ALA C C 12.251 -0.881 -7.617 1.00 . A A . 1 ALA C 1 1
2 1368 1 1 1 ALA CA C 10.917 -0.510 -8.264 1.00 . A A . 1 ALA CA 1 1
2 1369 1 1 1 ALA CB C 10.703 -1.362 -9.519 1.00 . A A . 1 ALA CB 1 1
2 1370 1 1 1 ALA H1 H 11.866 1.337 -8.421 1.00 . A A . 1 ALA H1 1 1
2 1371 1 1 1 ALA H2 H 10.742 1.027 -9.658 1.00 . A A . 1 ALA H2 1 1
2 1372 1 1 1 ALA H3 H 10.203 1.439 -8.101 1.00 . A A . 1 ALA H3 1 1
2 1373 1 1 1 ALA HA H 10.114 -0.691 -7.565 1.00 . A A . 1 ALA HA 1 1
2 1374 1 1 1 ALA HB1 H 10.359 -0.734 -10.326 1.00 . A A . 1 ALA HB1 1 1
2 1375 1 1 1 ALA HB2 H 11.635 -1.832 -9.798 1.00 . A A . 1 ALA HB2 1 1
2 1376 1 1 1 ALA HB3 H 9.964 -2.124 -9.316 1.00 . A A . 1 ALA HB3 1 1
2 1377 1 1 1 ALA N N 10.933 0.933 -8.640 1.00 . A A . 1 ALA N 1 1
2 1378 1 1 1 ALA O O 13.217 -1.184 -8.289 1.00 . A A . 1 ALA O 1 1
2 1379 1 1 2 SER C C 13.572 -2.687 -5.244 1.00 . A A . 2 SER C 1 1
2 1380 1 1 2 SER CA C 13.588 -1.211 -5.626 1.00 . A A . 2 SER CA 1 1
2 1381 1 1 2 SER CB C 13.738 -0.368 -4.362 1.00 . A A . 2 SER CB 1 1
2 1382 1 1 2 SER H H 11.527 -0.613 -5.788 1.00 . A A . 2 SER H 1 1
2 1383 1 1 2 SER HA H 14.418 -1.022 -6.283 1.00 . A A . 2 SER HA 1 1
2 1384 1 1 2 SER HB2 H 12.944 0.358 -4.315 1.00 . A A . 2 SER HB2 1 1
2 1385 1 1 2 SER HB3 H 13.686 -1.010 -3.493 1.00 . A A . 2 SER HB3 1 1
2 1386 1 1 2 SER HG H 15.674 -0.349 -4.556 1.00 . A A . 2 SER HG 1 1
2 1387 1 1 2 SER N N 12.314 -0.860 -6.314 1.00 . A A . 2 SER N 1 1
2 1388 1 1 2 SER O O 14.388 -3.466 -5.697 1.00 . A A . 2 SER O 1 1
2 1389 1 1 2 SER OG O 14.989 0.305 -4.396 1.00 . A A . 2 SER OG 1 1
2 1390 1 1 3 TYR C C 11.470 -5.222 -4.787 1.00 . A A . 3 TYR C 1 1
2 1391 1 1 3 TYR CA C 12.590 -4.516 -4.010 1.00 . A A . 3 TYR CA 1 1
2 1392 1 1 3 TYR CB C 12.365 -4.625 -2.498 1.00 . A A . 3 TYR CB 1 1
2 1393 1 1 3 TYR CD1 C 14.697 -4.033 -1.754 1.00 . A A . 3 TYR CD1 1 1
2 1394 1 1 3 TYR CD2 C 13.847 -6.250 -1.264 1.00 . A A . 3 TYR CD2 1 1
2 1395 1 1 3 TYR CE1 C 15.906 -4.355 -1.126 1.00 . A A . 3 TYR CE1 1 1
2 1396 1 1 3 TYR CE2 C 15.056 -6.573 -0.635 1.00 . A A . 3 TYR CE2 1 1
2 1397 1 1 3 TYR CG C 13.668 -4.980 -1.823 1.00 . A A . 3 TYR CG 1 1
2 1398 1 1 3 TYR CZ C 16.086 -5.626 -0.568 1.00 . A A . 3 TYR CZ 1 1
2 1399 1 1 3 TYR H H 12.000 -2.430 -4.064 1.00 . A A . 3 TYR H 1 1
2 1400 1 1 3 TYR HA H 13.530 -4.985 -4.260 1.00 . A A . 3 TYR HA 1 1
2 1401 1 1 3 TYR HB2 H 12.022 -3.682 -2.117 1.00 . A A . 3 TYR HB2 1 1
2 1402 1 1 3 TYR HB3 H 11.634 -5.393 -2.291 1.00 . A A . 3 TYR HB3 1 1
2 1403 1 1 3 TYR HD1 H 14.558 -3.053 -2.186 1.00 . A A . 3 TYR HD1 1 1
2 1404 1 1 3 TYR HD2 H 13.054 -6.981 -1.315 1.00 . A A . 3 TYR HD2 1 1
2 1405 1 1 3 TYR HE1 H 16.699 -3.625 -1.074 1.00 . A A . 3 TYR HE1 1 1
2 1406 1 1 3 TYR HE2 H 15.196 -7.553 -0.202 1.00 . A A . 3 TYR HE2 1 1
2 1407 1 1 3 TYR HH H 17.818 -5.153 0.082 1.00 . A A . 3 TYR HH 1 1
2 1408 1 1 3 TYR N N 12.650 -3.080 -4.415 1.00 . A A . 3 TYR N 1 1
2 1409 1 1 3 TYR O O 11.669 -5.607 -5.920 1.00 . A A . 3 TYR O 1 1
2 1410 1 1 3 TYR OH O 17.277 -5.945 0.053 1.00 . A A . 3 TYR OH 1 1
2 1411 1 1 4 THR C C 8.024 -6.415 -4.059 1.00 . A A . 4 THR C 1 1
2 1412 1 1 4 THR CA C 9.202 -6.061 -4.977 1.00 . A A . 4 THR CA 1 1
2 1413 1 1 4 THR CB C 9.745 -7.353 -5.580 1.00 . A A . 4 THR CB 1 1
2 1414 1 1 4 THR CG2 C 10.479 -8.152 -4.501 1.00 . A A . 4 THR CG2 1 1
2 1415 1 1 4 THR H H 10.134 -5.058 -3.312 1.00 . A A . 4 THR H 1 1
2 1416 1 1 4 THR HA H 8.868 -5.414 -5.766 1.00 . A A . 4 THR HA 1 1
2 1417 1 1 4 THR HB H 10.429 -7.115 -6.371 1.00 . A A . 4 THR HB 1 1
2 1418 1 1 4 THR HG1 H 8.438 -8.786 -5.438 1.00 . A A . 4 THR HG1 1 1
2 1419 1 1 4 THR HG21 H 11.278 -7.553 -4.090 1.00 . A A . 4 THR HG21 1 1
2 1420 1 1 4 THR HG22 H 9.787 -8.418 -3.717 1.00 . A A . 4 THR HG22 1 1
2 1421 1 1 4 THR HG23 H 10.893 -9.050 -4.937 1.00 . A A . 4 THR HG23 1 1
2 1422 1 1 4 THR N N 10.297 -5.386 -4.216 1.00 . A A . 4 THR N 1 1
2 1423 1 1 4 THR O O 7.336 -7.377 -4.280 1.00 . A A . 4 THR O 1 1
2 1424 1 1 4 THR OG1 O 8.673 -8.126 -6.095 1.00 . A A . 4 THR OG1 1 1
2 1425 1 1 5 VAL C C 5.331 -5.377 -2.576 1.00 . A A . 5 VAL C 1 1
2 1426 1 1 5 VAL CA C 6.661 -6.010 -2.120 1.00 . A A . 5 VAL CA 1 1
2 1427 1 1 5 VAL CB C 7.012 -5.569 -0.696 1.00 . A A . 5 VAL CB 1 1
2 1428 1 1 5 VAL CG1 C 6.092 -6.278 0.299 1.00 . A A . 5 VAL CG1 1 1
2 1429 1 1 5 VAL CG2 C 8.463 -5.949 -0.383 1.00 . A A . 5 VAL CG2 1 1
2 1430 1 1 5 VAL H H 8.330 -4.886 -2.861 1.00 . A A . 5 VAL H 1 1
2 1431 1 1 5 VAL HA H 6.553 -7.076 -2.130 1.00 . A A . 5 VAL HA 1 1
2 1432 1 1 5 VAL HB H 6.888 -4.500 -0.605 1.00 . A A . 5 VAL HB 1 1
2 1433 1 1 5 VAL HG11 H 5.071 -6.219 -0.048 1.00 . A A . 5 VAL HG11 1 1
2 1434 1 1 5 VAL HG12 H 6.383 -7.316 0.382 1.00 . A A . 5 VAL HG12 1 1
2 1435 1 1 5 VAL HG13 H 6.171 -5.805 1.265 1.00 . A A . 5 VAL HG13 1 1
2 1436 1 1 5 VAL HG21 H 8.986 -6.173 -1.300 1.00 . A A . 5 VAL HG21 1 1
2 1437 1 1 5 VAL HG22 H 8.949 -5.126 0.115 1.00 . A A . 5 VAL HG22 1 1
2 1438 1 1 5 VAL HG23 H 8.476 -6.816 0.260 1.00 . A A . 5 VAL HG23 1 1
2 1439 1 1 5 VAL N N 7.782 -5.659 -3.035 1.00 . A A . 5 VAL N 1 1
2 1440 1 1 5 VAL O O 4.900 -5.575 -3.694 1.00 . A A . 5 VAL O 1 1
2 1441 1 1 6 LYS C C 2.240 -5.054 -1.783 1.00 . A A . 6 LYS C 1 1
2 1442 1 1 6 LYS CA C 3.350 -4.028 -2.062 1.00 . A A . 6 LYS CA 1 1
2 1443 1 1 6 LYS CB C 3.366 -3.588 -3.525 1.00 . A A . 6 LYS CB 1 1
2 1444 1 1 6 LYS CD C 1.007 -2.738 -3.548 1.00 . A A . 6 LYS CD 1 1
2 1445 1 1 6 LYS CE C 0.343 -1.770 -2.570 1.00 . A A . 6 LYS CE 1 1
2 1446 1 1 6 LYS CG C 2.480 -2.360 -3.708 1.00 . A A . 6 LYS CG 1 1
2 1447 1 1 6 LYS H H 5.015 -4.526 -0.811 1.00 . A A . 6 LYS H 1 1
2 1448 1 1 6 LYS HA H 3.191 -3.163 -1.432 1.00 . A A . 6 LYS HA 1 1
2 1449 1 1 6 LYS HB2 H 4.377 -3.335 -3.796 1.00 . A A . 6 LYS HB2 1 1
2 1450 1 1 6 LYS HB3 H 3.020 -4.380 -4.158 1.00 . A A . 6 LYS HB3 1 1
2 1451 1 1 6 LYS HD2 H 0.512 -2.679 -4.506 1.00 . A A . 6 LYS HD2 1 1
2 1452 1 1 6 LYS HD3 H 0.930 -3.743 -3.164 1.00 . A A . 6 LYS HD3 1 1
2 1453 1 1 6 LYS HE2 H 0.042 -2.310 -1.687 1.00 . A A . 6 LYS HE2 1 1
2 1454 1 1 6 LYS HE3 H 1.045 -0.997 -2.299 1.00 . A A . 6 LYS HE3 1 1
2 1455 1 1 6 LYS HG2 H 2.742 -1.614 -2.972 1.00 . A A . 6 LYS HG2 1 1
2 1456 1 1 6 LYS HG3 H 2.637 -1.959 -4.694 1.00 . A A . 6 LYS HG3 1 1
2 1457 1 1 6 LYS HZ1 H -0.682 -1.035 -4.230 1.00 . A A . 6 LYS HZ1 1 1
2 1458 1 1 6 LYS HZ2 H -1.681 -1.769 -3.072 1.00 . A A . 6 LYS HZ2 1 1
2 1459 1 1 6 LYS HZ3 H -1.038 -0.223 -2.780 1.00 . A A . 6 LYS HZ3 1 1
2 1460 1 1 6 LYS N N 4.664 -4.648 -1.707 1.00 . A A . 6 LYS N 1 1
2 1461 1 1 6 LYS NZ N -0.855 -1.153 -3.212 1.00 . A A . 6 LYS NZ 1 1
2 1462 1 1 6 LYS O O 1.861 -5.227 -0.651 1.00 . A A . 6 LYS O 1 1
2 1463 1 1 7 LEU C C -0.691 -6.391 -3.056 1.00 . A A . 7 LEU C 1 1
2 1464 1 1 7 LEU CA C 0.701 -6.813 -2.571 1.00 . A A . 7 LEU CA 1 1
2 1465 1 1 7 LEU CB C 0.599 -7.227 -1.097 1.00 . A A . 7 LEU CB 1 1
2 1466 1 1 7 LEU CD1 C -0.164 -9.397 -2.116 1.00 . A A . 7 LEU CD1 1 1
2 1467 1 1 7 LEU CD2 C -0.067 -9.133 0.366 1.00 . A A . 7 LEU CD2 1 1
2 1468 1 1 7 LEU CG C -0.355 -8.416 -0.952 1.00 . A A . 7 LEU CG 1 1
2 1469 1 1 7 LEU H H 2.106 -5.625 -3.685 1.00 . A A . 7 LEU H 1 1
2 1470 1 1 7 LEU HA H 0.995 -7.670 -3.131 1.00 . A A . 7 LEU HA 1 1
2 1471 1 1 7 LEU HB2 H 1.578 -7.502 -0.732 1.00 . A A . 7 LEU HB2 1 1
2 1472 1 1 7 LEU HB3 H 0.219 -6.400 -0.518 1.00 . A A . 7 LEU HB3 1 1
2 1473 1 1 7 LEU HD11 H 0.886 -9.469 -2.359 1.00 . A A . 7 LEU HD11 1 1
2 1474 1 1 7 LEU HD12 H -0.537 -10.371 -1.832 1.00 . A A . 7 LEU HD12 1 1
2 1475 1 1 7 LEU HD13 H -0.709 -9.043 -2.979 1.00 . A A . 7 LEU HD13 1 1
2 1476 1 1 7 LEU HD21 H 0.357 -8.433 1.070 1.00 . A A . 7 LEU HD21 1 1
2 1477 1 1 7 LEU HD22 H -0.986 -9.534 0.766 1.00 . A A . 7 LEU HD22 1 1
2 1478 1 1 7 LEU HD23 H 0.632 -9.938 0.193 1.00 . A A . 7 LEU HD23 1 1
2 1479 1 1 7 LEU HG H -1.372 -8.054 -0.951 1.00 . A A . 7 LEU HG 1 1
2 1480 1 1 7 LEU N N 1.752 -5.757 -2.785 1.00 . A A . 7 LEU N 1 1
2 1481 1 1 7 LEU O O -1.322 -7.112 -3.796 1.00 . A A . 7 LEU O 1 1
2 1482 1 1 8 ILE C C -3.571 -5.893 -2.406 1.00 . A A . 8 ILE C 1 1
2 1483 1 1 8 ILE CA C -2.591 -4.903 -3.053 1.00 . A A . 8 ILE CA 1 1
2 1484 1 1 8 ILE CB C -2.726 -4.972 -4.576 1.00 . A A . 8 ILE CB 1 1
2 1485 1 1 8 ILE CD1 C -1.802 -4.092 -6.725 1.00 . A A . 8 ILE CD1 1 1
2 1486 1 1 8 ILE CG1 C -1.544 -4.257 -5.226 1.00 . A A . 8 ILE CG1 1 1
2 1487 1 1 8 ILE CG2 C -4.038 -4.295 -4.999 1.00 . A A . 8 ILE CG2 1 1
2 1488 1 1 8 ILE H H -0.714 -4.713 -1.995 1.00 . A A . 8 ILE H 1 1
2 1489 1 1 8 ILE HA H -2.815 -3.901 -2.713 1.00 . A A . 8 ILE HA 1 1
2 1490 1 1 8 ILE HB H -2.739 -6.006 -4.888 1.00 . A A . 8 ILE HB 1 1
2 1491 1 1 8 ILE HD11 H -2.775 -4.492 -6.970 1.00 . A A . 8 ILE HD11 1 1
2 1492 1 1 8 ILE HD12 H -1.768 -3.043 -6.984 1.00 . A A . 8 ILE HD12 1 1
2 1493 1 1 8 ILE HD13 H -1.044 -4.624 -7.282 1.00 . A A . 8 ILE HD13 1 1
2 1494 1 1 8 ILE HG12 H -1.418 -3.286 -4.772 1.00 . A A . 8 ILE HG12 1 1
2 1495 1 1 8 ILE HG13 H -0.650 -4.843 -5.080 1.00 . A A . 8 ILE HG13 1 1
2 1496 1 1 8 ILE HG21 H -4.041 -3.271 -4.662 1.00 . A A . 8 ILE HG21 1 1
2 1497 1 1 8 ILE HG22 H -4.129 -4.319 -6.074 1.00 . A A . 8 ILE HG22 1 1
2 1498 1 1 8 ILE HG23 H -4.876 -4.818 -4.557 1.00 . A A . 8 ILE HG23 1 1
2 1499 1 1 8 ILE N N -1.208 -5.279 -2.624 1.00 . A A . 8 ILE N 1 1
2 1500 1 1 8 ILE O O -3.616 -6.013 -1.198 1.00 . A A . 8 ILE O 1 1
2 1501 1 1 9 THR C C -5.454 -8.767 -3.458 1.00 . A A . 9 THR C 1 1
2 1502 1 1 9 THR CA C -5.315 -7.565 -2.549 1.00 . A A . 9 THR CA 1 1
2 1503 1 1 9 THR CB C -6.671 -6.875 -2.460 1.00 . A A . 9 THR CB 1 1
2 1504 1 1 9 THR CG2 C -7.018 -6.627 -1.004 1.00 . A A . 9 THR CG2 1 1
2 1505 1 1 9 THR H H -4.349 -6.513 -4.166 1.00 . A A . 9 THR H 1 1
2 1506 1 1 9 THR HA H -4.976 -7.859 -1.568 1.00 . A A . 9 THR HA 1 1
2 1507 1 1 9 THR HB H -7.426 -7.502 -2.906 1.00 . A A . 9 THR HB 1 1
2 1508 1 1 9 THR HG1 H -6.379 -5.831 -4.077 1.00 . A A . 9 THR HG1 1 1
2 1509 1 1 9 THR HG21 H -6.936 -7.552 -0.455 1.00 . A A . 9 THR HG21 1 1
2 1510 1 1 9 THR HG22 H -6.333 -5.904 -0.598 1.00 . A A . 9 THR HG22 1 1
2 1511 1 1 9 THR HG23 H -8.026 -6.252 -0.937 1.00 . A A . 9 THR HG23 1 1
2 1512 1 1 9 THR N N -4.363 -6.606 -3.176 1.00 . A A . 9 THR N 1 1
2 1513 1 1 9 THR O O -4.859 -8.792 -4.518 1.00 . A A . 9 THR O 1 1
2 1514 1 1 9 THR OG1 O -6.614 -5.641 -3.162 1.00 . A A . 9 THR OG1 1 1
2 1515 1 1 10 PRO C C -6.835 -10.203 -5.345 1.00 . A A . 10 PRO C 1 1
2 1516 1 1 10 PRO CA C -6.584 -10.824 -3.973 1.00 . A A . 10 PRO CA 1 1
2 1517 1 1 10 PRO CB C -7.826 -11.498 -3.384 1.00 . A A . 10 PRO CB 1 1
2 1518 1 1 10 PRO CD C -7.046 -9.730 -1.824 1.00 . A A . 10 PRO CD 1 1
2 1519 1 1 10 PRO CG C -8.060 -10.872 -1.990 1.00 . A A . 10 PRO CG 1 1
2 1520 1 1 10 PRO HA H -5.749 -11.495 -3.984 1.00 . A A . 10 PRO HA 1 1
2 1521 1 1 10 PRO HB2 H -8.680 -11.319 -4.021 1.00 . A A . 10 PRO HB2 1 1
2 1522 1 1 10 PRO HB3 H -7.656 -12.555 -3.279 1.00 . A A . 10 PRO HB3 1 1
2 1523 1 1 10 PRO HD2 H -7.560 -8.809 -1.661 1.00 . A A . 10 PRO HD2 1 1
2 1524 1 1 10 PRO HD3 H -6.370 -9.949 -1.016 1.00 . A A . 10 PRO HD3 1 1
2 1525 1 1 10 PRO HG2 H -9.068 -10.485 -1.926 1.00 . A A . 10 PRO HG2 1 1
2 1526 1 1 10 PRO HG3 H -7.899 -11.614 -1.222 1.00 . A A . 10 PRO HG3 1 1
2 1527 1 1 10 PRO N N -6.311 -9.704 -3.092 1.00 . A A . 10 PRO N 1 1
2 1528 1 1 10 PRO O O -6.564 -10.777 -6.382 1.00 . A A . 10 PRO O 1 1
2 1529 1 1 11 ASP C C -6.233 -7.275 -6.627 1.00 . A A . 11 ASP C 1 1
2 1530 1 1 11 ASP CA C -7.457 -8.186 -6.544 1.00 . A A . 11 ASP CA 1 1
2 1531 1 1 11 ASP CB C -8.732 -7.344 -6.449 1.00 . A A . 11 ASP CB 1 1
2 1532 1 1 11 ASP CG C -9.110 -6.832 -7.840 1.00 . A A . 11 ASP CG 1 1
2 1533 1 1 11 ASP H H -7.408 -8.510 -4.462 1.00 . A A . 11 ASP H 1 1
2 1534 1 1 11 ASP HA H -7.496 -8.842 -7.401 1.00 . A A . 11 ASP HA 1 1
2 1535 1 1 11 ASP HB2 H -9.533 -7.951 -6.056 1.00 . A A . 11 ASP HB2 1 1
2 1536 1 1 11 ASP HB3 H -8.560 -6.504 -5.794 1.00 . A A . 11 ASP HB3 1 1
2 1537 1 1 11 ASP N N -7.269 -8.960 -5.318 1.00 . A A . 11 ASP N 1 1
2 1538 1 1 11 ASP O O -6.285 -6.088 -6.370 1.00 . A A . 11 ASP O 1 1
2 1539 1 1 11 ASP OD1 O -9.016 -7.604 -8.780 1.00 . A A . 11 ASP OD1 1 1
2 1540 1 1 11 ASP OD2 O -9.490 -5.678 -7.941 1.00 . A A . 11 ASP OD2 1 1
2 1541 1 1 12 GLY C C -2.702 -7.795 -6.389 1.00 . A A . 12 GLY C 1 1
2 1542 1 1 12 GLY CA C -3.882 -7.029 -6.973 1.00 . A A . 12 GLY CA 1 1
2 1543 1 1 12 GLY H H -5.067 -8.791 -7.038 1.00 . A A . 12 GLY H 1 1
2 1544 1 1 12 GLY HA2 H -3.673 -6.773 -8.004 1.00 . A A . 12 GLY HA2 1 1
2 1545 1 1 12 GLY HA3 H -4.035 -6.136 -6.409 1.00 . A A . 12 GLY HA3 1 1
2 1546 1 1 12 GLY N N -5.108 -7.838 -6.911 1.00 . A A . 12 GLY N 1 1
2 1547 1 1 12 GLY O O -2.710 -8.183 -5.240 1.00 . A A . 12 GLY O 1 1
2 1548 1 1 13 GLU C C 0.721 -7.780 -7.041 1.00 . A A . 13 GLU C 1 1
2 1549 1 1 13 GLU CA C -0.460 -8.685 -6.700 1.00 . A A . 13 GLU CA 1 1
2 1550 1 1 13 GLU CB C -0.314 -10.030 -7.414 1.00 . A A . 13 GLU CB 1 1
2 1551 1 1 13 GLU CD C 0.878 -12.095 -6.664 1.00 . A A . 13 GLU CD 1 1
2 1552 1 1 13 GLU CG C -0.295 -11.158 -6.380 1.00 . A A . 13 GLU CG 1 1
2 1553 1 1 13 GLU H H -1.712 -7.634 -8.092 1.00 . A A . 13 GLU H 1 1
2 1554 1 1 13 GLU HA H -0.514 -8.833 -5.631 1.00 . A A . 13 GLU HA 1 1
2 1555 1 1 13 GLU HB2 H -1.146 -10.172 -8.088 1.00 . A A . 13 GLU HB2 1 1
2 1556 1 1 13 GLU HB3 H 0.609 -10.042 -7.975 1.00 . A A . 13 GLU HB3 1 1
2 1557 1 1 13 GLU HG2 H -0.190 -10.736 -5.391 1.00 . A A . 13 GLU HG2 1 1
2 1558 1 1 13 GLU HG3 H -1.220 -11.714 -6.436 1.00 . A A . 13 GLU HG3 1 1
2 1559 1 1 13 GLU N N -1.683 -7.983 -7.176 1.00 . A A . 13 GLU N 1 1
2 1560 1 1 13 GLU O O 1.459 -8.021 -7.975 1.00 . A A . 13 GLU O 1 1
2 1561 1 1 13 GLU OE1 O 0.992 -12.549 -7.791 1.00 . A A . 13 GLU OE1 1 1
2 1562 1 1 13 GLU OE2 O 1.647 -12.345 -5.750 1.00 . A A . 13 GLU OE2 1 1
2 1563 1 1 14 SER C C 3.296 -6.209 -6.054 1.00 . A A . 14 SER C 1 1
2 1564 1 1 14 SER CA C 1.953 -5.736 -6.613 1.00 . A A . 14 SER CA 1 1
2 1565 1 1 14 SER CB C 1.592 -4.389 -5.992 1.00 . A A . 14 SER CB 1 1
2 1566 1 1 14 SER H H 0.231 -6.523 -5.588 1.00 . A A . 14 SER H 1 1
2 1567 1 1 14 SER HA H 2.039 -5.616 -7.683 1.00 . A A . 14 SER HA 1 1
2 1568 1 1 14 SER HB2 H 0.773 -3.948 -6.535 1.00 . A A . 14 SER HB2 1 1
2 1569 1 1 14 SER HB3 H 1.296 -4.539 -4.959 1.00 . A A . 14 SER HB3 1 1
2 1570 1 1 14 SER HG H 2.719 -3.109 -6.923 1.00 . A A . 14 SER HG 1 1
2 1571 1 1 14 SER N N 0.866 -6.708 -6.315 1.00 . A A . 14 SER N 1 1
2 1572 1 1 14 SER O O 3.377 -6.779 -4.984 1.00 . A A . 14 SER O 1 1
2 1573 1 1 14 SER OG O 2.718 -3.526 -6.058 1.00 . A A . 14 SER OG 1 1
2 1574 1 1 15 SER C C 6.675 -5.198 -6.502 1.00 . A A . 15 SER C 1 1
2 1575 1 1 15 SER CA C 5.702 -6.376 -6.332 1.00 . A A . 15 SER CA 1 1
2 1576 1 1 15 SER CB C 6.162 -7.547 -7.189 1.00 . A A . 15 SER CB 1 1
2 1577 1 1 15 SER H H 4.251 -5.506 -7.641 1.00 . A A . 15 SER H 1 1
2 1578 1 1 15 SER HA H 5.664 -6.674 -5.296 1.00 . A A . 15 SER HA 1 1
2 1579 1 1 15 SER HB2 H 7.210 -7.450 -7.397 1.00 . A A . 15 SER HB2 1 1
2 1580 1 1 15 SER HB3 H 5.979 -8.469 -6.657 1.00 . A A . 15 SER HB3 1 1
2 1581 1 1 15 SER HG H 5.359 -6.630 -8.707 1.00 . A A . 15 SER HG 1 1
2 1582 1 1 15 SER N N 4.352 -5.963 -6.784 1.00 . A A . 15 SER N 1 1
2 1583 1 1 15 SER O O 7.171 -4.946 -7.582 1.00 . A A . 15 SER O 1 1
2 1584 1 1 15 SER OG O 5.440 -7.541 -8.414 1.00 . A A . 15 SER OG 1 1
2 1585 1 1 16 ILE C C 8.578 -3.046 -4.206 1.00 . A A . 16 ILE C 1 1
2 1586 1 1 16 ILE CA C 7.868 -3.305 -5.544 1.00 . A A . 16 ILE CA 1 1
2 1587 1 1 16 ILE CB C 7.100 -2.051 -5.935 1.00 . A A . 16 ILE CB 1 1
2 1588 1 1 16 ILE CD1 C 5.172 -2.910 -7.312 1.00 . A A . 16 ILE CD1 1 1
2 1589 1 1 16 ILE CG1 C 5.605 -2.361 -5.953 1.00 . A A . 16 ILE CG1 1 1
2 1590 1 1 16 ILE CG2 C 7.573 -1.570 -7.308 1.00 . A A . 16 ILE CG2 1 1
2 1591 1 1 16 ILE H H 6.539 -4.688 -4.599 1.00 . A A . 16 ILE H 1 1
2 1592 1 1 16 ILE HA H 8.585 -3.512 -6.293 1.00 . A A . 16 ILE HA 1 1
2 1593 1 1 16 ILE HB H 7.295 -1.280 -5.204 1.00 . A A . 16 ILE HB 1 1
2 1594 1 1 16 ILE HD11 H 6.040 -3.237 -7.862 1.00 . A A . 16 ILE HD11 1 1
2 1595 1 1 16 ILE HD12 H 4.504 -3.743 -7.164 1.00 . A A . 16 ILE HD12 1 1
2 1596 1 1 16 ILE HD13 H 4.665 -2.136 -7.867 1.00 . A A . 16 ILE HD13 1 1
2 1597 1 1 16 ILE HG12 H 5.399 -3.096 -5.198 1.00 . A A . 16 ILE HG12 1 1
2 1598 1 1 16 ILE HG13 H 5.063 -1.472 -5.734 1.00 . A A . 16 ILE HG13 1 1
2 1599 1 1 16 ILE HG21 H 8.111 -2.366 -7.800 1.00 . A A . 16 ILE HG21 1 1
2 1600 1 1 16 ILE HG22 H 6.718 -1.288 -7.905 1.00 . A A . 16 ILE HG22 1 1
2 1601 1 1 16 ILE HG23 H 8.223 -0.717 -7.184 1.00 . A A . 16 ILE HG23 1 1
2 1602 1 1 16 ILE N N 6.945 -4.472 -5.446 1.00 . A A . 16 ILE N 1 1
2 1603 1 1 16 ILE O O 9.782 -3.047 -4.132 1.00 . A A . 16 ILE O 1 1
2 1604 1 1 17 GLU C C 8.833 -1.049 -1.706 1.00 . A A . 17 GLU C 1 1
2 1605 1 1 17 GLU CA C 8.451 -2.526 -1.815 1.00 . A A . 17 GLU CA 1 1
2 1606 1 1 17 GLU CB C 9.715 -3.355 -1.591 1.00 . A A . 17 GLU CB 1 1
2 1607 1 1 17 GLU CD C 11.262 -4.230 0.157 1.00 . A A . 17 GLU CD 1 1
2 1608 1 1 17 GLU CG C 10.184 -3.188 -0.146 1.00 . A A . 17 GLU CG 1 1
2 1609 1 1 17 GLU H H 6.859 -2.794 -3.250 1.00 . A A . 17 GLU H 1 1
2 1610 1 1 17 GLU HA H 7.737 -2.768 -1.049 1.00 . A A . 17 GLU HA 1 1
2 1611 1 1 17 GLU HB2 H 9.514 -4.393 -1.776 1.00 . A A . 17 GLU HB2 1 1
2 1612 1 1 17 GLU HB3 H 10.485 -3.007 -2.254 1.00 . A A . 17 GLU HB3 1 1
2 1613 1 1 17 GLU HG2 H 10.586 -2.197 -0.008 1.00 . A A . 17 GLU HG2 1 1
2 1614 1 1 17 GLU HG3 H 9.350 -3.335 0.523 1.00 . A A . 17 GLU HG3 1 1
2 1615 1 1 17 GLU N N 7.835 -2.804 -3.157 1.00 . A A . 17 GLU N 1 1
2 1616 1 1 17 GLU O O 8.713 -0.433 -0.667 1.00 . A A . 17 GLU O 1 1
2 1617 1 1 17 GLU OE1 O 11.058 -5.381 -0.196 1.00 . A A . 17 GLU OE1 1 1
2 1618 1 1 17 GLU OE2 O 12.267 -3.863 0.741 1.00 . A A . 17 GLU OE2 1 1
2 1619 1 1 18 CYS C C 10.702 1.098 -1.483 1.00 . A A . 18 CYS C 1 1
2 1620 1 1 18 CYS CA C 9.719 0.958 -2.654 1.00 . A A . 18 CYS CA 1 1
2 1621 1 1 18 CYS CB C 8.470 1.805 -2.394 1.00 . A A . 18 CYS CB 1 1
2 1622 1 1 18 CYS H H 9.439 -0.962 -3.589 1.00 . A A . 18 CYS H 1 1
2 1623 1 1 18 CYS HA H 10.190 1.271 -3.572 1.00 . A A . 18 CYS HA 1 1
2 1624 1 1 18 CYS HB2 H 7.786 1.700 -3.224 1.00 . A A . 18 CYS HB2 1 1
2 1625 1 1 18 CYS HB3 H 7.988 1.463 -1.490 1.00 . A A . 18 CYS HB3 1 1
2 1626 1 1 18 CYS HG H 8.490 3.888 -1.428 1.00 . A A . 18 CYS HG 1 1
2 1627 1 1 18 CYS N N 9.320 -0.468 -2.754 1.00 . A A . 18 CYS N 1 1
2 1628 1 1 18 CYS O O 10.916 2.172 -0.956 1.00 . A A . 18 CYS O 1 1
2 1629 1 1 18 CYS SG S 8.926 3.547 -2.213 1.00 . A A . 18 CYS SG 1 1
2 1630 1 1 19 SER C C 13.487 0.872 -0.353 1.00 . A A . 19 SER C 1 1
2 1631 1 1 19 SER CA C 12.268 0.061 0.063 1.00 . A A . 19 SER CA 1 1
2 1632 1 1 19 SER CB C 12.702 -1.358 0.428 1.00 . A A . 19 SER CB 1 1
2 1633 1 1 19 SER H H 11.119 -0.846 -1.508 1.00 . A A . 19 SER H 1 1
2 1634 1 1 19 SER HA H 11.798 0.526 0.917 1.00 . A A . 19 SER HA 1 1
2 1635 1 1 19 SER HB2 H 12.028 -1.766 1.161 1.00 . A A . 19 SER HB2 1 1
2 1636 1 1 19 SER HB3 H 12.683 -1.977 -0.460 1.00 . A A . 19 SER HB3 1 1
2 1637 1 1 19 SER HG H 13.972 -1.637 1.875 1.00 . A A . 19 SER HG 1 1
2 1638 1 1 19 SER N N 11.303 0.009 -1.071 1.00 . A A . 19 SER N 1 1
2 1639 1 1 19 SER O O 13.583 1.331 -1.474 1.00 . A A . 19 SER O 1 1
2 1640 1 1 19 SER OG O 14.017 -1.327 0.968 1.00 . A A . 19 SER OG 1 1
2 1641 1 1 20 ASP C C 15.190 3.096 -0.575 1.00 . A A . 20 ASP C 1 1
2 1642 1 1 20 ASP CA C 15.627 1.847 0.187 1.00 . A A . 20 ASP CA 1 1
2 1643 1 1 20 ASP CB C 16.547 1.002 -0.698 1.00 . A A . 20 ASP CB 1 1
2 1644 1 1 20 ASP CG C 18.004 1.388 -0.442 1.00 . A A . 20 ASP CG 1 1
2 1645 1 1 20 ASP H H 14.328 0.684 1.435 1.00 . A A . 20 ASP H 1 1
2 1646 1 1 20 ASP HA H 16.148 2.135 1.089 1.00 . A A . 20 ASP HA 1 1
2 1647 1 1 20 ASP HB2 H 16.403 -0.045 -0.467 1.00 . A A . 20 ASP HB2 1 1
2 1648 1 1 20 ASP HB3 H 16.306 1.175 -1.737 1.00 . A A . 20 ASP HB3 1 1
2 1649 1 1 20 ASP N N 14.422 1.059 0.539 1.00 . A A . 20 ASP N 1 1
2 1650 1 1 20 ASP O O 15.929 3.641 -1.370 1.00 . A A . 20 ASP O 1 1
2 1651 1 1 20 ASP OD1 O 18.302 2.570 -0.496 1.00 . A A . 20 ASP OD1 1 1
2 1652 1 1 20 ASP OD2 O 18.800 0.495 -0.199 1.00 . A A . 20 ASP OD2 1 1
2 1653 1 1 21 ASP C C 13.427 4.416 -2.560 1.00 . A A . 21 ASP C 1 1
2 1654 1 1 21 ASP CA C 13.504 4.756 -1.072 1.00 . A A . 21 ASP CA 1 1
2 1655 1 1 21 ASP CB C 14.509 5.902 -0.874 1.00 . A A . 21 ASP CB 1 1
2 1656 1 1 21 ASP CG C 15.284 5.703 0.434 1.00 . A A . 21 ASP CG 1 1
2 1657 1 1 21 ASP H H 13.398 3.096 0.293 1.00 . A A . 21 ASP H 1 1
2 1658 1 1 21 ASP HA H 12.522 5.043 -0.699 1.00 . A A . 21 ASP HA 1 1
2 1659 1 1 21 ASP HB2 H 15.206 5.909 -1.701 1.00 . A A . 21 ASP HB2 1 1
2 1660 1 1 21 ASP HB3 H 13.989 6.844 -0.840 1.00 . A A . 21 ASP HB3 1 1
2 1661 1 1 21 ASP N N 13.985 3.549 -0.347 1.00 . A A . 21 ASP N 1 1
2 1662 1 1 21 ASP O O 14.432 4.125 -3.177 1.00 . A A . 21 ASP O 1 1
2 1663 1 1 21 ASP OD1 O 14.714 5.152 1.360 1.00 . A A . 21 ASP OD1 1 1
2 1664 1 1 21 ASP OD2 O 16.434 6.107 0.483 1.00 . A A . 21 ASP OD2 1 1
2 1665 1 1 22 THR C C 10.883 4.521 -5.240 1.00 . A A . 22 THR C 1 1
2 1666 1 1 22 THR CA C 12.210 4.102 -4.600 1.00 . A A . 22 THR CA 1 1
2 1667 1 1 22 THR CB C 12.424 2.599 -4.780 1.00 . A A . 22 THR CB 1 1
2 1668 1 1 22 THR CG2 C 12.198 2.216 -6.241 1.00 . A A . 22 THR CG2 1 1
2 1669 1 1 22 THR H H 11.453 4.675 -2.668 1.00 . A A . 22 THR H 1 1
2 1670 1 1 22 THR HA H 13.008 4.623 -5.094 1.00 . A A . 22 THR HA 1 1
2 1671 1 1 22 THR HB H 11.729 2.059 -4.159 1.00 . A A . 22 THR HB 1 1
2 1672 1 1 22 THR HG1 H 13.725 1.890 -3.522 1.00 . A A . 22 THR HG1 1 1
2 1673 1 1 22 THR HG21 H 12.560 3.008 -6.880 1.00 . A A . 22 THR HG21 1 1
2 1674 1 1 22 THR HG22 H 12.734 1.304 -6.461 1.00 . A A . 22 THR HG22 1 1
2 1675 1 1 22 THR HG23 H 11.143 2.067 -6.416 1.00 . A A . 22 THR HG23 1 1
2 1676 1 1 22 THR N N 12.265 4.440 -3.158 1.00 . A A . 22 THR N 1 1
2 1677 1 1 22 THR O O 10.833 5.493 -5.967 1.00 . A A . 22 THR O 1 1
2 1678 1 1 22 THR OG1 O 13.753 2.270 -4.403 1.00 . A A . 22 THR OG1 1 1
2 1679 1 1 23 TYR C C 7.334 3.964 -4.787 1.00 . A A . 23 TYR C 1 1
2 1680 1 1 23 TYR CA C 8.548 4.203 -5.689 1.00 . A A . 23 TYR CA 1 1
2 1681 1 1 23 TYR CB C 8.397 3.395 -6.971 1.00 . A A . 23 TYR CB 1 1
2 1682 1 1 23 TYR CD1 C 10.346 4.058 -8.429 1.00 . A A . 23 TYR CD1 1 1
2 1683 1 1 23 TYR CD2 C 8.160 4.994 -8.906 1.00 . A A . 23 TYR CD2 1 1
2 1684 1 1 23 TYR CE1 C 10.887 4.775 -9.503 1.00 . A A . 23 TYR CE1 1 1
2 1685 1 1 23 TYR CE2 C 8.701 5.711 -9.980 1.00 . A A . 23 TYR CE2 1 1
2 1686 1 1 23 TYR CG C 8.983 4.168 -8.129 1.00 . A A . 23 TYR CG 1 1
2 1687 1 1 23 TYR CZ C 10.064 5.601 -10.278 1.00 . A A . 23 TYR CZ 1 1
2 1688 1 1 23 TYR H H 9.837 3.001 -4.463 1.00 . A A . 23 TYR H 1 1
2 1689 1 1 23 TYR HA H 8.608 5.242 -5.934 1.00 . A A . 23 TYR HA 1 1
2 1690 1 1 23 TYR HB2 H 8.918 2.450 -6.865 1.00 . A A . 23 TYR HB2 1 1
2 1691 1 1 23 TYR HB3 H 7.356 3.214 -7.150 1.00 . A A . 23 TYR HB3 1 1
2 1692 1 1 23 TYR HD1 H 10.979 3.421 -7.831 1.00 . A A . 23 TYR HD1 1 1
2 1693 1 1 23 TYR HD2 H 7.109 5.079 -8.676 1.00 . A A . 23 TYR HD2 1 1
2 1694 1 1 23 TYR HE1 H 11.938 4.690 -9.733 1.00 . A A . 23 TYR HE1 1 1
2 1695 1 1 23 TYR HE2 H 8.067 6.349 -10.577 1.00 . A A . 23 TYR HE2 1 1
2 1696 1 1 23 TYR HH H 10.106 7.126 -11.424 1.00 . A A . 23 TYR HH 1 1
2 1697 1 1 23 TYR N N 9.809 3.800 -5.025 1.00 . A A . 23 TYR N 1 1
2 1698 1 1 23 TYR O O 6.711 2.922 -4.846 1.00 . A A . 23 TYR O 1 1
2 1699 1 1 23 TYR OH O 10.599 6.308 -11.335 1.00 . A A . 23 TYR OH 1 1
2 1700 1 1 24 ILE C C 4.616 4.166 -3.705 1.00 . A A . 24 ILE C 1 1
2 1701 1 1 24 ILE CA C 5.821 4.849 -3.044 1.00 . A A . 24 ILE CA 1 1
2 1702 1 1 24 ILE CB C 5.413 6.266 -2.629 1.00 . A A . 24 ILE CB 1 1
2 1703 1 1 24 ILE CD1 C 4.472 8.155 -3.972 1.00 . A A . 24 ILE CD1 1 1
2 1704 1 1 24 ILE CG1 C 5.684 7.238 -3.782 1.00 . A A . 24 ILE CG1 1 1
2 1705 1 1 24 ILE CG2 C 6.224 6.696 -1.405 1.00 . A A . 24 ILE CG2 1 1
2 1706 1 1 24 ILE H H 7.529 5.766 -3.987 1.00 . A A . 24 ILE H 1 1
2 1707 1 1 24 ILE HA H 6.100 4.296 -2.164 1.00 . A A . 24 ILE HA 1 1
2 1708 1 1 24 ILE HB H 4.362 6.280 -2.384 1.00 . A A . 24 ILE HB 1 1
2 1709 1 1 24 ILE HD11 H 4.121 8.493 -3.010 1.00 . A A . 24 ILE HD11 1 1
2 1710 1 1 24 ILE HD12 H 4.757 9.007 -4.572 1.00 . A A . 24 ILE HD12 1 1
2 1711 1 1 24 ILE HD13 H 3.685 7.610 -4.472 1.00 . A A . 24 ILE HD13 1 1
2 1712 1 1 24 ILE HG12 H 6.555 7.835 -3.552 1.00 . A A . 24 ILE HG12 1 1
2 1713 1 1 24 ILE HG13 H 5.858 6.681 -4.689 1.00 . A A . 24 ILE HG13 1 1
2 1714 1 1 24 ILE HG21 H 6.892 5.897 -1.117 1.00 . A A . 24 ILE HG21 1 1
2 1715 1 1 24 ILE HG22 H 6.798 7.578 -1.645 1.00 . A A . 24 ILE HG22 1 1
2 1716 1 1 24 ILE HG23 H 5.552 6.915 -0.588 1.00 . A A . 24 ILE HG23 1 1
2 1717 1 1 24 ILE N N 6.998 4.942 -3.978 1.00 . A A . 24 ILE N 1 1
2 1718 1 1 24 ILE O O 4.697 3.609 -4.780 1.00 . A A . 24 ILE O 1 1
2 1719 1 1 25 LEU C C 2.231 3.809 -5.132 1.00 . A A . 25 LEU C 1 1
2 1720 1 1 25 LEU CA C 2.254 3.588 -3.620 1.00 . A A . 25 LEU CA 1 1
2 1721 1 1 25 LEU CB C 1.012 4.216 -2.984 1.00 . A A . 25 LEU CB 1 1
2 1722 1 1 25 LEU CD1 C 0.487 1.950 -2.057 1.00 . A A . 25 LEU CD1 1 1
2 1723 1 1 25 LEU CD2 C -1.248 3.741 -2.028 1.00 . A A . 25 LEU CD2 1 1
2 1724 1 1 25 LEU CG C -0.076 3.151 -2.816 1.00 . A A . 25 LEU CG 1 1
2 1725 1 1 25 LEU H H 3.438 4.675 -2.192 1.00 . A A . 25 LEU H 1 1
2 1726 1 1 25 LEU HA H 2.272 2.530 -3.411 1.00 . A A . 25 LEU HA 1 1
2 1727 1 1 25 LEU HB2 H 1.269 4.623 -2.016 1.00 . A A . 25 LEU HB2 1 1
2 1728 1 1 25 LEU HB3 H 0.643 5.008 -3.619 1.00 . A A . 25 LEU HB3 1 1
2 1729 1 1 25 LEU HD11 H 1.340 2.262 -1.473 1.00 . A A . 25 LEU HD11 1 1
2 1730 1 1 25 LEU HD12 H -0.271 1.549 -1.401 1.00 . A A . 25 LEU HD12 1 1
2 1731 1 1 25 LEU HD13 H 0.792 1.191 -2.762 1.00 . A A . 25 LEU HD13 1 1
2 1732 1 1 25 LEU HD21 H -1.103 4.806 -1.909 1.00 . A A . 25 LEU HD21 1 1
2 1733 1 1 25 LEU HD22 H -2.169 3.560 -2.561 1.00 . A A . 25 LEU HD22 1 1
2 1734 1 1 25 LEU HD23 H -1.297 3.276 -1.055 1.00 . A A . 25 LEU HD23 1 1
2 1735 1 1 25 LEU HG H -0.421 2.832 -3.790 1.00 . A A . 25 LEU HG 1 1
2 1736 1 1 25 LEU N N 3.481 4.218 -3.054 1.00 . A A . 25 LEU N 1 1
2 1737 1 1 25 LEU O O 1.707 3.006 -5.881 1.00 . A A . 25 LEU O 1 1
2 1738 1 1 26 ASP C C 3.216 3.869 -7.781 1.00 . A A . 26 ASP C 1 1
2 1739 1 1 26 ASP CA C 2.867 5.159 -7.040 1.00 . A A . 26 ASP CA 1 1
2 1740 1 1 26 ASP CB C 3.933 6.219 -7.329 1.00 . A A . 26 ASP CB 1 1
2 1741 1 1 26 ASP CG C 3.652 6.870 -8.683 1.00 . A A . 26 ASP CG 1 1
2 1742 1 1 26 ASP H H 3.246 5.510 -4.958 1.00 . A A . 26 ASP H 1 1
2 1743 1 1 26 ASP HA H 1.905 5.518 -7.372 1.00 . A A . 26 ASP HA 1 1
2 1744 1 1 26 ASP HB2 H 3.910 6.971 -6.554 1.00 . A A . 26 ASP HB2 1 1
2 1745 1 1 26 ASP HB3 H 4.907 5.753 -7.352 1.00 . A A . 26 ASP HB3 1 1
2 1746 1 1 26 ASP N N 2.821 4.886 -5.583 1.00 . A A . 26 ASP N 1 1
2 1747 1 1 26 ASP O O 2.459 3.393 -8.597 1.00 . A A . 26 ASP O 1 1
2 1748 1 1 26 ASP OD1 O 3.245 6.160 -9.588 1.00 . A A . 26 ASP OD1 1 1
2 1749 1 1 26 ASP OD2 O 3.846 8.070 -8.794 1.00 . A A . 26 ASP OD2 1 1
2 1750 1 1 27 ALA C C 3.638 0.955 -7.846 1.00 . A A . 27 ALA C 1 1
2 1751 1 1 27 ALA CA C 4.659 2.016 -8.240 1.00 . A A . 27 ALA CA 1 1
2 1752 1 1 27 ALA CB C 6.051 1.528 -7.851 1.00 . A A . 27 ALA CB 1 1
2 1753 1 1 27 ALA H H 4.972 3.636 -6.843 1.00 . A A . 27 ALA H 1 1
2 1754 1 1 27 ALA HA H 4.617 2.189 -9.304 1.00 . A A . 27 ALA HA 1 1
2 1755 1 1 27 ALA HB1 H 6.234 1.759 -6.810 1.00 . A A . 27 ALA HB1 1 1
2 1756 1 1 27 ALA HB2 H 6.110 0.461 -7.998 1.00 . A A . 27 ALA HB2 1 1
2 1757 1 1 27 ALA HB3 H 6.789 2.020 -8.465 1.00 . A A . 27 ALA HB3 1 1
2 1758 1 1 27 ALA N N 4.344 3.272 -7.514 1.00 . A A . 27 ALA N 1 1
2 1759 1 1 27 ALA O O 3.265 0.103 -8.629 1.00 . A A . 27 ALA O 1 1
2 1760 1 1 28 ALA C C 0.913 0.008 -6.876 1.00 . A A . 28 ALA C 1 1
2 1761 1 1 28 ALA CA C 2.251 -0.019 -6.122 1.00 . A A . 28 ALA CA 1 1
2 1762 1 1 28 ALA CB C 1.999 0.240 -4.638 1.00 . A A . 28 ALA CB 1 1
2 1763 1 1 28 ALA H H 3.544 1.677 -6.010 1.00 . A A . 28 ALA H 1 1
2 1764 1 1 28 ALA HA H 2.695 -0.990 -6.233 1.00 . A A . 28 ALA HA 1 1
2 1765 1 1 28 ALA HB1 H 1.637 1.246 -4.508 1.00 . A A . 28 ALA HB1 1 1
2 1766 1 1 28 ALA HB2 H 1.261 -0.457 -4.272 1.00 . A A . 28 ALA HB2 1 1
2 1767 1 1 28 ALA HB3 H 2.919 0.114 -4.088 1.00 . A A . 28 ALA HB3 1 1
2 1768 1 1 28 ALA N N 3.209 0.992 -6.620 1.00 . A A . 28 ALA N 1 1
2 1769 1 1 28 ALA O O 0.760 -0.586 -7.931 1.00 . A A . 28 ALA O 1 1
2 1770 1 1 29 GLU C C -1.500 1.639 -8.107 1.00 . A A . 29 GLU C 1 1
2 1771 1 1 29 GLU CA C -1.424 0.660 -6.937 1.00 . A A . 29 GLU CA 1 1
2 1772 1 1 29 GLU CB C -2.456 1.039 -5.872 1.00 . A A . 29 GLU CB 1 1
2 1773 1 1 29 GLU CD C -4.536 -0.181 -5.224 1.00 . A A . 29 GLU CD 1 1
2 1774 1 1 29 GLU CG C -3.848 0.614 -6.335 1.00 . A A . 29 GLU CG 1 1
2 1775 1 1 29 GLU H H 0.062 1.089 -5.446 1.00 . A A . 29 GLU H 1 1
2 1776 1 1 29 GLU HA H -1.649 -0.332 -7.298 1.00 . A A . 29 GLU HA 1 1
2 1777 1 1 29 GLU HB2 H -2.214 0.532 -4.946 1.00 . A A . 29 GLU HB2 1 1
2 1778 1 1 29 GLU HB3 H -2.438 2.105 -5.713 1.00 . A A . 29 GLU HB3 1 1
2 1779 1 1 29 GLU HG2 H -4.435 1.493 -6.567 1.00 . A A . 29 GLU HG2 1 1
2 1780 1 1 29 GLU HG3 H -3.759 -0.002 -7.215 1.00 . A A . 29 GLU HG3 1 1
2 1781 1 1 29 GLU N N -0.075 0.648 -6.309 1.00 . A A . 29 GLU N 1 1
2 1782 1 1 29 GLU O O -2.552 1.829 -8.686 1.00 . A A . 29 GLU O 1 1
2 1783 1 1 29 GLU OE1 O -4.107 -0.065 -4.087 1.00 . A A . 29 GLU OE1 1 1
2 1784 1 1 29 GLU OE2 O -5.477 -0.895 -5.527 1.00 . A A . 29 GLU OE2 1 1
2 1785 1 1 30 GLU C C 0.112 2.440 -10.845 1.00 . A A . 30 GLU C 1 1
2 1786 1 1 30 GLU CA C -0.482 3.159 -9.650 1.00 . A A . 30 GLU CA 1 1
2 1787 1 1 30 GLU CB C 0.304 4.437 -9.378 1.00 . A A . 30 GLU CB 1 1
2 1788 1 1 30 GLU CD C 0.052 6.131 -11.194 1.00 . A A . 30 GLU CD 1 1
2 1789 1 1 30 GLU CG C -0.503 5.637 -9.857 1.00 . A A . 30 GLU CG 1 1
2 1790 1 1 30 GLU H H 0.438 2.069 -8.061 1.00 . A A . 30 GLU H 1 1
2 1791 1 1 30 GLU HA H -1.506 3.392 -9.837 1.00 . A A . 30 GLU HA 1 1
2 1792 1 1 30 GLU HB2 H 0.495 4.527 -8.318 1.00 . A A . 30 GLU HB2 1 1
2 1793 1 1 30 GLU HB3 H 1.240 4.402 -9.914 1.00 . A A . 30 GLU HB3 1 1
2 1794 1 1 30 GLU HG2 H -1.536 5.350 -9.979 1.00 . A A . 30 GLU HG2 1 1
2 1795 1 1 30 GLU HG3 H -0.430 6.424 -9.127 1.00 . A A . 30 GLU HG3 1 1
2 1796 1 1 30 GLU N N -0.414 2.240 -8.497 1.00 . A A . 30 GLU N 1 1
2 1797 1 1 30 GLU O O -0.412 2.470 -11.940 1.00 . A A . 30 GLU O 1 1
2 1798 1 1 30 GLU OE1 O 1.060 5.599 -11.629 1.00 . A A . 30 GLU OE1 1 1
2 1799 1 1 30 GLU OE2 O -0.543 7.031 -11.763 1.00 . A A . 30 GLU OE2 1 1
2 1800 1 1 31 ALA C C 0.984 -0.172 -12.074 1.00 . A A . 31 ALA C 1 1
2 1801 1 1 31 ALA CA C 1.855 1.031 -11.713 1.00 . A A . 31 ALA CA 1 1
2 1802 1 1 31 ALA CB C 3.215 0.547 -11.229 1.00 . A A . 31 ALA CB 1 1
2 1803 1 1 31 ALA H H 1.599 1.771 -9.732 1.00 . A A . 31 ALA H 1 1
2 1804 1 1 31 ALA HA H 1.978 1.669 -12.567 1.00 . A A . 31 ALA HA 1 1
2 1805 1 1 31 ALA HB1 H 3.543 1.170 -10.411 1.00 . A A . 31 ALA HB1 1 1
2 1806 1 1 31 ALA HB2 H 3.130 -0.474 -10.889 1.00 . A A . 31 ALA HB2 1 1
2 1807 1 1 31 ALA HB3 H 3.927 0.604 -12.036 1.00 . A A . 31 ALA HB3 1 1
2 1808 1 1 31 ALA N N 1.207 1.781 -10.626 1.00 . A A . 31 ALA N 1 1
2 1809 1 1 31 ALA O O 1.148 -0.783 -13.112 1.00 . A A . 31 ALA O 1 1
2 1810 1 1 32 GLY C C -2.195 -1.247 -11.957 1.00 . A A . 32 GLY C 1 1
2 1811 1 1 32 GLY CA C -0.804 -1.704 -11.499 1.00 . A A . 32 GLY CA 1 1
2 1812 1 1 32 GLY H H -0.039 -0.027 -10.370 1.00 . A A . 32 GLY H 1 1
2 1813 1 1 32 GLY HA2 H -0.350 -2.300 -12.276 1.00 . A A . 32 GLY HA2 1 1
2 1814 1 1 32 GLY HA3 H -0.903 -2.298 -10.605 1.00 . A A . 32 GLY HA3 1 1
2 1815 1 1 32 GLY N N 0.068 -0.527 -11.213 1.00 . A A . 32 GLY N 1 1
2 1816 1 1 32 GLY O O -2.697 -1.694 -12.969 1.00 . A A . 32 GLY O 1 1
2 1817 1 1 33 LEU C C -4.304 1.585 -11.465 1.00 . A A . 33 LEU C 1 1
2 1818 1 1 33 LEU CA C -4.189 0.066 -11.604 1.00 . A A . 33 LEU CA 1 1
2 1819 1 1 33 LEU CB C -5.206 -0.605 -10.692 1.00 . A A . 33 LEU CB 1 1
2 1820 1 1 33 LEU CD1 C -5.714 -0.692 -8.252 1.00 . A A . 33 LEU CD1 1 1
2 1821 1 1 33 LEU CD2 C -3.867 -2.084 -9.193 1.00 . A A . 33 LEU CD2 1 1
2 1822 1 1 33 LEU CG C -4.602 -0.746 -9.301 1.00 . A A . 33 LEU CG 1 1
2 1823 1 1 33 LEU H H -2.437 -0.043 -10.402 1.00 . A A . 33 LEU H 1 1
2 1824 1 1 33 LEU HA H -4.372 -0.219 -12.616 1.00 . A A . 33 LEU HA 1 1
2 1825 1 1 33 LEU HB2 H -6.089 0.005 -10.639 1.00 . A A . 33 LEU HB2 1 1
2 1826 1 1 33 LEU HB3 H -5.457 -1.580 -11.078 1.00 . A A . 33 LEU HB3 1 1
2 1827 1 1 33 LEU HD11 H -6.672 -0.813 -8.736 1.00 . A A . 33 LEU HD11 1 1
2 1828 1 1 33 LEU HD12 H -5.570 -1.486 -7.536 1.00 . A A . 33 LEU HD12 1 1
2 1829 1 1 33 LEU HD13 H -5.686 0.261 -7.746 1.00 . A A . 33 LEU HD13 1 1
2 1830 1 1 33 LEU HD21 H -3.394 -2.313 -10.137 1.00 . A A . 33 LEU HD21 1 1
2 1831 1 1 33 LEU HD22 H -3.115 -2.022 -8.420 1.00 . A A . 33 LEU HD22 1 1
2 1832 1 1 33 LEU HD23 H -4.572 -2.864 -8.946 1.00 . A A . 33 LEU HD23 1 1
2 1833 1 1 33 LEU HG H -3.903 0.067 -9.139 1.00 . A A . 33 LEU HG 1 1
2 1834 1 1 33 LEU N N -2.834 -0.383 -11.216 1.00 . A A . 33 LEU N 1 1
2 1835 1 1 33 LEU O O -5.369 2.117 -11.227 1.00 . A A . 33 LEU O 1 1
2 1836 1 1 34 ASP C C -4.260 4.284 -10.599 1.00 . A A . 34 ASP C 1 1
2 1837 1 1 34 ASP CA C -3.207 3.756 -11.588 1.00 . A A . 34 ASP CA 1 1
2 1838 1 1 34 ASP CB C -3.480 4.238 -12.999 1.00 . A A . 34 ASP CB 1 1
2 1839 1 1 34 ASP CG C -4.023 5.669 -12.991 1.00 . A A . 34 ASP CG 1 1
2 1840 1 1 34 ASP H H -2.399 1.815 -11.883 1.00 . A A . 34 ASP H 1 1
2 1841 1 1 34 ASP HA H -2.230 4.098 -11.287 1.00 . A A . 34 ASP HA 1 1
2 1842 1 1 34 ASP HB2 H -2.557 4.196 -13.556 1.00 . A A . 34 ASP HB2 1 1
2 1843 1 1 34 ASP HB3 H -4.195 3.574 -13.452 1.00 . A A . 34 ASP HB3 1 1
2 1844 1 1 34 ASP N N -3.215 2.275 -11.654 1.00 . A A . 34 ASP N 1 1
2 1845 1 1 34 ASP O O -5.418 4.439 -10.930 1.00 . A A . 34 ASP O 1 1
2 1846 1 1 34 ASP OD1 O -3.363 6.529 -12.431 1.00 . A A . 34 ASP OD1 1 1
2 1847 1 1 34 ASP OD2 O -5.088 5.881 -13.547 1.00 . A A . 34 ASP OD2 1 1
2 1848 1 1 35 LEU C C -4.117 6.169 -7.503 1.00 . A A . 35 LEU C 1 1
2 1849 1 1 35 LEU CA C -4.812 5.108 -8.376 1.00 . A A . 35 LEU CA 1 1
2 1850 1 1 35 LEU CB C -5.349 3.965 -7.512 1.00 . A A . 35 LEU CB 1 1
2 1851 1 1 35 LEU CD1 C -7.225 2.340 -7.224 1.00 . A A . 35 LEU CD1 1 1
2 1852 1 1 35 LEU CD2 C -7.647 4.548 -8.310 1.00 . A A . 35 LEU CD2 1 1
2 1853 1 1 35 LEU CG C -6.633 3.415 -8.138 1.00 . A A . 35 LEU CG 1 1
2 1854 1 1 35 LEU H H -2.911 4.452 -9.151 1.00 . A A . 35 LEU H 1 1
2 1855 1 1 35 LEU HA H -5.636 5.579 -8.891 1.00 . A A . 35 LEU HA 1 1
2 1856 1 1 35 LEU HB2 H -4.611 3.179 -7.458 1.00 . A A . 35 LEU HB2 1 1
2 1857 1 1 35 LEU HB3 H -5.564 4.331 -6.519 1.00 . A A . 35 LEU HB3 1 1
2 1858 1 1 35 LEU HD11 H -6.431 1.715 -6.842 1.00 . A A . 35 LEU HD11 1 1
2 1859 1 1 35 LEU HD12 H -7.741 2.812 -6.403 1.00 . A A . 35 LEU HD12 1 1
2 1860 1 1 35 LEU HD13 H -7.920 1.734 -7.787 1.00 . A A . 35 LEU HD13 1 1
2 1861 1 1 35 LEU HD21 H -7.550 5.245 -7.491 1.00 . A A . 35 LEU HD21 1 1
2 1862 1 1 35 LEU HD22 H -7.463 5.059 -9.243 1.00 . A A . 35 LEU HD22 1 1
2 1863 1 1 35 LEU HD23 H -8.647 4.138 -8.315 1.00 . A A . 35 LEU HD23 1 1
2 1864 1 1 35 LEU HG H -6.405 2.982 -9.103 1.00 . A A . 35 LEU HG 1 1
2 1865 1 1 35 LEU N N -3.851 4.575 -9.388 1.00 . A A . 35 LEU N 1 1
2 1866 1 1 35 LEU O O -4.435 7.336 -7.612 1.00 . A A . 35 LEU O 1 1
2 1867 1 1 36 PRO C C -1.816 7.797 -6.669 1.00 . A A . 36 PRO C 1 1
2 1868 1 1 36 PRO CA C -2.451 6.702 -5.810 1.00 . A A . 36 PRO CA 1 1
2 1869 1 1 36 PRO CB C -1.372 5.858 -5.121 1.00 . A A . 36 PRO CB 1 1
2 1870 1 1 36 PRO CD C -2.775 4.345 -6.519 1.00 . A A . 36 PRO CD 1 1
2 1871 1 1 36 PRO CG C -1.561 4.391 -5.580 1.00 . A A . 36 PRO CG 1 1
2 1872 1 1 36 PRO HA H -3.111 7.131 -5.073 1.00 . A A . 36 PRO HA 1 1
2 1873 1 1 36 PRO HB2 H -0.391 6.213 -5.408 1.00 . A A . 36 PRO HB2 1 1
2 1874 1 1 36 PRO HB3 H -1.487 5.918 -4.050 1.00 . A A . 36 PRO HB3 1 1
2 1875 1 1 36 PRO HD2 H -2.500 3.919 -7.471 1.00 . A A . 36 PRO HD2 1 1
2 1876 1 1 36 PRO HD3 H -3.571 3.777 -6.063 1.00 . A A . 36 PRO HD3 1 1
2 1877 1 1 36 PRO HG2 H -0.676 4.055 -6.106 1.00 . A A . 36 PRO HG2 1 1
2 1878 1 1 36 PRO HG3 H -1.741 3.758 -4.725 1.00 . A A . 36 PRO HG3 1 1
2 1879 1 1 36 PRO N N -3.183 5.756 -6.672 1.00 . A A . 36 PRO N 1 1
2 1880 1 1 36 PRO O O -0.678 7.697 -7.081 1.00 . A A . 36 PRO O 1 1
2 1881 1 1 37 TYR C C -2.849 11.193 -7.605 1.00 . A A . 37 TYR C 1 1
2 1882 1 1 37 TYR CA C -1.994 9.938 -7.785 1.00 . A A . 37 TYR CA 1 1
2 1883 1 1 37 TYR CB C -2.014 9.512 -9.255 1.00 . A A . 37 TYR CB 1 1
2 1884 1 1 37 TYR CD1 C 0.499 9.685 -9.310 1.00 . A A . 37 TYR CD1 1 1
2 1885 1 1 37 TYR CD2 C -0.776 10.609 -11.152 1.00 . A A . 37 TYR CD2 1 1
2 1886 1 1 37 TYR CE1 C 1.687 10.088 -9.929 1.00 . A A . 37 TYR CE1 1 1
2 1887 1 1 37 TYR CE2 C 0.413 11.012 -11.774 1.00 . A A . 37 TYR CE2 1 1
2 1888 1 1 37 TYR CG C -0.733 9.946 -9.922 1.00 . A A . 37 TYR CG 1 1
2 1889 1 1 37 TYR CZ C 1.644 10.752 -11.161 1.00 . A A . 37 TYR CZ 1 1
2 1890 1 1 37 TYR H H -3.465 8.900 -6.610 1.00 . A A . 37 TYR H 1 1
2 1891 1 1 37 TYR HA H -0.977 10.147 -7.484 1.00 . A A . 37 TYR HA 1 1
2 1892 1 1 37 TYR HB2 H -2.109 8.438 -9.317 1.00 . A A . 37 TYR HB2 1 1
2 1893 1 1 37 TYR HB3 H -2.853 9.976 -9.751 1.00 . A A . 37 TYR HB3 1 1
2 1894 1 1 37 TYR HD1 H 0.532 9.173 -8.359 1.00 . A A . 37 TYR HD1 1 1
2 1895 1 1 37 TYR HD2 H -1.727 10.809 -11.626 1.00 . A A . 37 TYR HD2 1 1
2 1896 1 1 37 TYR HE1 H 2.637 9.887 -9.457 1.00 . A A . 37 TYR HE1 1 1
2 1897 1 1 37 TYR HE2 H 0.379 11.524 -12.724 1.00 . A A . 37 TYR HE2 1 1
2 1898 1 1 37 TYR HH H 2.605 11.419 -12.670 1.00 . A A . 37 TYR HH 1 1
2 1899 1 1 37 TYR N N -2.548 8.841 -6.948 1.00 . A A . 37 TYR N 1 1
2 1900 1 1 37 TYR O O -2.895 12.053 -8.462 1.00 . A A . 37 TYR O 1 1
2 1901 1 1 37 TYR OH O 2.816 11.151 -11.772 1.00 . A A . 37 TYR OH 1 1
2 1902 1 1 38 SER C C -3.511 13.644 -5.733 1.00 . A A . 38 SER C 1 1
2 1903 1 1 38 SER CA C -4.378 12.501 -6.259 1.00 . A A . 38 SER CA 1 1
2 1904 1 1 38 SER CB C -5.457 12.165 -5.231 1.00 . A A . 38 SER CB 1 1
2 1905 1 1 38 SER H H -3.474 10.597 -5.818 1.00 . A A . 38 SER H 1 1
2 1906 1 1 38 SER HA H -4.844 12.800 -7.187 1.00 . A A . 38 SER HA 1 1
2 1907 1 1 38 SER HB2 H -6.189 11.511 -5.675 1.00 . A A . 38 SER HB2 1 1
2 1908 1 1 38 SER HB3 H -5.002 11.669 -4.383 1.00 . A A . 38 SER HB3 1 1
2 1909 1 1 38 SER HG H -7.041 13.213 -4.814 1.00 . A A . 38 SER HG 1 1
2 1910 1 1 38 SER N N -3.526 11.303 -6.496 1.00 . A A . 38 SER N 1 1
2 1911 1 1 38 SER O O -3.375 14.673 -6.365 1.00 . A A . 38 SER O 1 1
2 1912 1 1 38 SER OG O -6.094 13.363 -4.809 1.00 . A A . 38 SER OG 1 1
2 1913 1 1 39 CYS C C -0.587 14.191 -4.206 1.00 . A A . 39 CYS C 1 1
2 1914 1 1 39 CYS CA C -2.063 14.558 -4.026 1.00 . A A . 39 CYS CA 1 1
2 1915 1 1 39 CYS CB C -2.375 14.754 -2.535 1.00 . A A . 39 CYS CB 1 1
2 1916 1 1 39 CYS H H -3.038 12.638 -4.085 1.00 . A A . 39 CYS H 1 1
2 1917 1 1 39 CYS HA H -2.267 15.478 -4.555 1.00 . A A . 39 CYS HA 1 1
2 1918 1 1 39 CYS HB2 H -1.974 15.702 -2.209 1.00 . A A . 39 CYS HB2 1 1
2 1919 1 1 39 CYS HB3 H -3.446 14.751 -2.391 1.00 . A A . 39 CYS HB3 1 1
2 1920 1 1 39 CYS N N -2.919 13.476 -4.582 1.00 . A A . 39 CYS N 1 1
2 1921 1 1 39 CYS O O 0.265 15.049 -4.317 1.00 . A A . 39 CYS O 1 1
2 1922 1 1 39 CYS SG S -1.633 13.419 -1.555 1.00 . A A . 39 CYS SG 1 1
2 1923 1 1 40 ARG C C 1.979 13.127 -3.273 1.00 . A A . 40 ARG C 1 1
2 1924 1 1 40 ARG CA C 1.143 12.508 -4.395 1.00 . A A . 40 ARG CA 1 1
2 1925 1 1 40 ARG CB C 1.666 12.993 -5.750 1.00 . A A . 40 ARG CB 1 1
2 1926 1 1 40 ARG CD C 3.125 12.357 -7.678 1.00 . A A . 40 ARG CD 1 1
2 1927 1 1 40 ARG CG C 2.303 11.823 -6.502 1.00 . A A . 40 ARG CG 1 1
2 1928 1 1 40 ARG CZ C 4.644 11.410 -9.316 1.00 . A A . 40 ARG CZ 1 1
2 1929 1 1 40 ARG H H -0.981 12.245 -4.134 1.00 . A A . 40 ARG H 1 1
2 1930 1 1 40 ARG HA H 1.213 11.431 -4.345 1.00 . A A . 40 ARG HA 1 1
2 1931 1 1 40 ARG HB2 H 0.848 13.393 -6.330 1.00 . A A . 40 ARG HB2 1 1
2 1932 1 1 40 ARG HB3 H 2.408 13.764 -5.594 1.00 . A A . 40 ARG HB3 1 1
2 1933 1 1 40 ARG HD2 H 2.462 12.643 -8.480 1.00 . A A . 40 ARG HD2 1 1
2 1934 1 1 40 ARG HD3 H 3.693 13.217 -7.356 1.00 . A A . 40 ARG HD3 1 1
2 1935 1 1 40 ARG HE H 4.225 10.506 -7.599 1.00 . A A . 40 ARG HE 1 1
2 1936 1 1 40 ARG HG2 H 2.946 11.271 -5.832 1.00 . A A . 40 ARG HG2 1 1
2 1937 1 1 40 ARG HG3 H 1.528 11.170 -6.876 1.00 . A A . 40 ARG HG3 1 1
2 1938 1 1 40 ARG HH11 H 3.807 13.179 -9.747 1.00 . A A . 40 ARG HH11 1 1
2 1939 1 1 40 ARG HH12 H 4.881 12.546 -10.949 1.00 . A A . 40 ARG HH12 1 1
2 1940 1 1 40 ARG HH21 H 5.623 9.670 -9.162 1.00 . A A . 40 ARG HH21 1 1
2 1941 1 1 40 ARG HH22 H 5.905 10.562 -10.619 1.00 . A A . 40 ARG HH22 1 1
2 1942 1 1 40 ARG N N -0.279 12.922 -4.229 1.00 . A A . 40 ARG N 1 1
2 1943 1 1 40 ARG NE N 4.056 11.294 -8.156 1.00 . A A . 40 ARG NE 1 1
2 1944 1 1 40 ARG NH1 N 4.426 12.460 -10.063 1.00 . A A . 40 ARG NH1 1 1
2 1945 1 1 40 ARG NH2 N 5.455 10.475 -9.732 1.00 . A A . 40 ARG NH2 1 1
2 1946 1 1 40 ARG O O 2.579 14.170 -3.438 1.00 . A A . 40 ARG O 1 1
2 1947 1 1 41 ALA C C 2.105 14.297 -0.457 1.00 . A A . 41 ALA C 1 1
2 1948 1 1 41 ALA CA C 2.813 13.055 -1.001 1.00 . A A . 41 ALA CA 1 1
2 1949 1 1 41 ALA CB C 4.207 13.440 -1.497 1.00 . A A . 41 ALA CB 1 1
2 1950 1 1 41 ALA H H 1.524 11.658 -2.017 1.00 . A A . 41 ALA H 1 1
2 1951 1 1 41 ALA HA H 2.898 12.315 -0.220 1.00 . A A . 41 ALA HA 1 1
2 1952 1 1 41 ALA HB1 H 4.571 12.683 -2.177 1.00 . A A . 41 ALA HB1 1 1
2 1953 1 1 41 ALA HB2 H 4.158 14.391 -2.009 1.00 . A A . 41 ALA HB2 1 1
2 1954 1 1 41 ALA HB3 H 4.879 13.519 -0.655 1.00 . A A . 41 ALA HB3 1 1
2 1955 1 1 41 ALA N N 2.019 12.496 -2.132 1.00 . A A . 41 ALA N 1 1
2 1956 1 1 41 ALA O O 2.647 15.385 -0.463 1.00 . A A . 41 ALA O 1 1
2 1957 1 1 42 GLY C C -0.606 14.917 1.814 1.00 . A A . 42 GLY C 1 1
2 1958 1 1 42 GLY CA C 0.157 15.321 0.553 1.00 . A A . 42 GLY CA 1 1
2 1959 1 1 42 GLY H H 0.475 13.261 0.008 1.00 . A A . 42 GLY H 1 1
2 1960 1 1 42 GLY HA2 H 0.859 16.108 0.792 1.00 . A A . 42 GLY HA2 1 1
2 1961 1 1 42 GLY HA3 H -0.543 15.677 -0.188 1.00 . A A . 42 GLY HA3 1 1
2 1962 1 1 42 GLY N N 0.896 14.147 0.013 1.00 . A A . 42 GLY N 1 1
2 1963 1 1 42 GLY O O -0.038 14.400 2.756 1.00 . A A . 42 GLY O 1 1
2 1964 1 1 43 ALA C C -4.114 14.417 2.625 1.00 . A A . 43 ALA C 1 1
2 1965 1 1 43 ALA CA C -2.687 14.782 3.045 1.00 . A A . 43 ALA CA 1 1
2 1966 1 1 43 ALA CB C -2.728 15.966 4.013 1.00 . A A . 43 ALA CB 1 1
2 1967 1 1 43 ALA H H -2.329 15.569 1.074 1.00 . A A . 43 ALA H 1 1
2 1968 1 1 43 ALA HA H -2.230 13.934 3.534 1.00 . A A . 43 ALA HA 1 1
2 1969 1 1 43 ALA HB1 H -1.801 16.518 3.945 1.00 . A A . 43 ALA HB1 1 1
2 1970 1 1 43 ALA HB2 H -3.551 16.614 3.756 1.00 . A A . 43 ALA HB2 1 1
2 1971 1 1 43 ALA HB3 H -2.856 15.602 5.021 1.00 . A A . 43 ALA HB3 1 1
2 1972 1 1 43 ALA N N -1.890 15.149 1.842 1.00 . A A . 43 ALA N 1 1
2 1973 1 1 43 ALA O O -5.073 15.011 3.078 1.00 . A A . 43 ALA O 1 1
2 1974 1 1 44 CYS C C -5.968 11.666 1.887 1.00 . A A . 44 CYS C 1 1
2 1975 1 1 44 CYS CA C -5.635 13.053 1.327 1.00 . A A . 44 CYS CA 1 1
2 1976 1 1 44 CYS CB C -5.704 13.039 -0.210 1.00 . A A . 44 CYS CB 1 1
2 1977 1 1 44 CYS H H -3.482 12.977 1.410 1.00 . A A . 44 CYS H 1 1
2 1978 1 1 44 CYS HA H -6.348 13.769 1.708 1.00 . A A . 44 CYS HA 1 1
2 1979 1 1 44 CYS HB2 H -6.736 13.078 -0.521 1.00 . A A . 44 CYS HB2 1 1
2 1980 1 1 44 CYS HB3 H -5.181 13.902 -0.596 1.00 . A A . 44 CYS HB3 1 1
2 1981 1 1 44 CYS N N -4.266 13.446 1.765 1.00 . A A . 44 CYS N 1 1
2 1982 1 1 44 CYS O O -5.386 11.226 2.858 1.00 . A A . 44 CYS O 1 1
2 1983 1 1 44 CYS SG S -4.940 11.530 -0.865 1.00 . A A . 44 CYS SG 1 1
2 1984 1 1 45 SER C C -7.783 8.763 0.650 1.00 . A A . 45 SER C 1 1
2 1985 1 1 45 SER CA C -7.260 9.623 1.801 1.00 . A A . 45 SER CA 1 1
2 1986 1 1 45 SER CB C -8.347 9.762 2.869 1.00 . A A . 45 SER CB 1 1
2 1987 1 1 45 SER H H -7.362 11.347 0.509 1.00 . A A . 45 SER H 1 1
2 1988 1 1 45 SER HA H -6.388 9.157 2.235 1.00 . A A . 45 SER HA 1 1
2 1989 1 1 45 SER HB2 H -9.156 9.084 2.652 1.00 . A A . 45 SER HB2 1 1
2 1990 1 1 45 SER HB3 H -7.932 9.523 3.838 1.00 . A A . 45 SER HB3 1 1
2 1991 1 1 45 SER HG H -9.513 11.167 3.543 1.00 . A A . 45 SER HG 1 1
2 1992 1 1 45 SER N N -6.899 10.977 1.289 1.00 . A A . 45 SER N 1 1
2 1993 1 1 45 SER O O -8.667 7.949 0.824 1.00 . A A . 45 SER O 1 1
2 1994 1 1 45 SER OG O -8.839 11.096 2.863 1.00 . A A . 45 SER OG 1 1
2 1995 1 1 46 THR C C -6.863 6.858 -1.811 1.00 . A A . 46 THR C 1 1
2 1996 1 1 46 THR CA C -7.711 8.126 -1.685 1.00 . A A . 46 THR CA 1 1
2 1997 1 1 46 THR CB C -7.587 8.954 -2.967 1.00 . A A . 46 THR CB 1 1
2 1998 1 1 46 THR CG2 C -8.752 8.628 -3.900 1.00 . A A . 46 THR CG2 1 1
2 1999 1 1 46 THR H H -6.533 9.598 -0.644 1.00 . A A . 46 THR H 1 1
2 2000 1 1 46 THR HA H -8.746 7.852 -1.535 1.00 . A A . 46 THR HA 1 1
2 2001 1 1 46 THR HB H -6.659 8.717 -3.460 1.00 . A A . 46 THR HB 1 1
2 2002 1 1 46 THR HG1 H -7.856 10.824 -3.430 1.00 . A A . 46 THR HG1 1 1
2 2003 1 1 46 THR HG21 H -9.363 7.857 -3.456 1.00 . A A . 46 THR HG21 1 1
2 2004 1 1 46 THR HG22 H -9.348 9.516 -4.056 1.00 . A A . 46 THR HG22 1 1
2 2005 1 1 46 THR HG23 H -8.367 8.282 -4.848 1.00 . A A . 46 THR HG23 1 1
2 2006 1 1 46 THR N N -7.243 8.935 -0.525 1.00 . A A . 46 THR N 1 1
2 2007 1 1 46 THR O O -7.377 5.773 -2.001 1.00 . A A . 46 THR O 1 1
2 2008 1 1 46 THR OG1 O -7.612 10.337 -2.639 1.00 . A A . 46 THR OG1 1 1
2 2009 1 1 47 CYS C C -4.548 5.095 -0.477 1.00 . A A . 47 CYS C 1 1
2 2010 1 1 47 CYS CA C -4.692 5.781 -1.841 1.00 . A A . 47 CYS CA 1 1
2 2011 1 1 47 CYS CB C -3.315 6.200 -2.372 1.00 . A A . 47 CYS CB 1 1
2 2012 1 1 47 CYS H H -5.167 7.866 -1.565 1.00 . A A . 47 CYS H 1 1
2 2013 1 1 47 CYS HA H -5.145 5.089 -2.536 1.00 . A A . 47 CYS HA 1 1
2 2014 1 1 47 CYS HB2 H -2.791 5.331 -2.737 1.00 . A A . 47 CYS HB2 1 1
2 2015 1 1 47 CYS HB3 H -3.445 6.904 -3.184 1.00 . A A . 47 CYS HB3 1 1
2 2016 1 1 47 CYS N N -5.566 6.983 -1.714 1.00 . A A . 47 CYS N 1 1
2 2017 1 1 47 CYS O O -3.471 4.694 -0.085 1.00 . A A . 47 CYS O 1 1
2 2018 1 1 47 CYS SG S -2.342 6.979 -1.056 1.00 . A A . 47 CYS SG 1 1
2 2019 1 1 48 ALA C C -4.646 3.059 1.490 1.00 . A A . 48 ALA C 1 1
2 2020 1 1 48 ALA CA C -5.555 4.289 1.580 1.00 . A A . 48 ALA CA 1 1
2 2021 1 1 48 ALA CB C -6.958 3.856 2.012 1.00 . A A . 48 ALA CB 1 1
2 2022 1 1 48 ALA H H -6.488 5.279 -0.091 1.00 . A A . 48 ALA H 1 1
2 2023 1 1 48 ALA HA H -5.154 4.980 2.305 1.00 . A A . 48 ALA HA 1 1
2 2024 1 1 48 ALA HB1 H -7.661 4.069 1.219 1.00 . A A . 48 ALA HB1 1 1
2 2025 1 1 48 ALA HB2 H -6.962 2.796 2.221 1.00 . A A . 48 ALA HB2 1 1
2 2026 1 1 48 ALA HB3 H -7.246 4.399 2.901 1.00 . A A . 48 ALA HB3 1 1
2 2027 1 1 48 ALA N N -5.629 4.952 0.246 1.00 . A A . 48 ALA N 1 1
2 2028 1 1 48 ALA O O -4.366 2.564 0.416 1.00 . A A . 48 ALA O 1 1
2 2029 1 1 49 GLY C C -3.279 0.681 3.925 1.00 . A A . 49 GLY C 1 1
2 2030 1 1 49 GLY CA C -3.282 1.376 2.566 1.00 . A A . 49 GLY CA 1 1
2 2031 1 1 49 GLY H H -4.409 2.981 3.460 1.00 . A A . 49 GLY H 1 1
2 2032 1 1 49 GLY HA2 H -3.627 0.688 1.813 1.00 . A A . 49 GLY HA2 1 1
2 2033 1 1 49 GLY HA3 H -2.275 1.691 2.331 1.00 . A A . 49 GLY HA3 1 1
2 2034 1 1 49 GLY N N -4.177 2.566 2.604 1.00 . A A . 49 GLY N 1 1
2 2035 1 1 49 GLY O O -3.030 1.296 4.943 1.00 . A A . 49 GLY O 1 1
2 2036 1 1 50 LYS C C -2.119 -1.344 5.811 1.00 . A A . 50 LYS C 1 1
2 2037 1 1 50 LYS CA C -3.541 -1.301 5.273 1.00 . A A . 50 LYS CA 1 1
2 2038 1 1 50 LYS CB C -4.074 -2.718 5.128 1.00 . A A . 50 LYS CB 1 1
2 2039 1 1 50 LYS CD C -5.280 -3.564 7.143 1.00 . A A . 50 LYS CD 1 1
2 2040 1 1 50 LYS CE C -5.095 -4.030 8.587 1.00 . A A . 50 LYS CE 1 1
2 2041 1 1 50 LYS CG C -3.918 -3.468 6.454 1.00 . A A . 50 LYS CG 1 1
2 2042 1 1 50 LYS H H -3.745 -1.094 3.136 1.00 . A A . 50 LYS H 1 1
2 2043 1 1 50 LYS HA H -4.165 -0.755 5.967 1.00 . A A . 50 LYS HA 1 1
2 2044 1 1 50 LYS HB2 H -5.118 -2.675 4.865 1.00 . A A . 50 LYS HB2 1 1
2 2045 1 1 50 LYS HB3 H -3.522 -3.231 4.360 1.00 . A A . 50 LYS HB3 1 1
2 2046 1 1 50 LYS HD2 H -5.756 -2.594 7.136 1.00 . A A . 50 LYS HD2 1 1
2 2047 1 1 50 LYS HD3 H -5.901 -4.274 6.616 1.00 . A A . 50 LYS HD3 1 1
2 2048 1 1 50 LYS HE2 H -4.060 -4.297 8.750 1.00 . A A . 50 LYS HE2 1 1
2 2049 1 1 50 LYS HE3 H -5.370 -3.232 9.262 1.00 . A A . 50 LYS HE3 1 1
2 2050 1 1 50 LYS HG2 H -3.539 -4.460 6.262 1.00 . A A . 50 LYS HG2 1 1
2 2051 1 1 50 LYS HG3 H -3.230 -2.935 7.093 1.00 . A A . 50 LYS HG3 1 1
2 2052 1 1 50 LYS HZ1 H -6.573 -5.380 8.016 1.00 . A A . 50 LYS HZ1 1 1
2 2053 1 1 50 LYS HZ2 H -5.362 -6.053 9.001 1.00 . A A . 50 LYS HZ2 1 1
2 2054 1 1 50 LYS HZ3 H -6.549 -5.044 9.677 1.00 . A A . 50 LYS HZ3 1 1
2 2055 1 1 50 LYS N N -3.547 -0.600 3.962 1.00 . A A . 50 LYS N 1 1
2 2056 1 1 50 LYS NZ N -5.960 -5.215 8.839 1.00 . A A . 50 LYS NZ 1 1
2 2057 1 1 50 LYS O O -1.336 -2.215 5.473 1.00 . A A . 50 LYS O 1 1
2 2058 1 1 51 ILE C C 0.553 -1.232 6.828 1.00 . A A . 51 ILE C 1 1
2 2059 1 1 51 ILE CA C -0.507 -0.252 7.318 1.00 . A A . 51 ILE CA 1 1
2 2060 1 1 51 ILE CB C -0.721 -0.455 8.815 1.00 . A A . 51 ILE CB 1 1
2 2061 1 1 51 ILE CD1 C 0.266 -2.618 9.602 1.00 . A A . 51 ILE CD1 1 1
2 2062 1 1 51 ILE CG1 C -1.007 -1.935 9.096 1.00 . A A . 51 ILE CG1 1 1
2 2063 1 1 51 ILE CG2 C -1.911 0.385 9.287 1.00 . A A . 51 ILE CG2 1 1
2 2064 1 1 51 ILE H H -2.512 0.258 6.872 1.00 . A A . 51 ILE H 1 1
2 2065 1 1 51 ILE HA H -0.146 0.745 7.155 1.00 . A A . 51 ILE HA 1 1
2 2066 1 1 51 ILE HB H 0.157 -0.153 9.341 1.00 . A A . 51 ILE HB 1 1
2 2067 1 1 51 ILE HD11 H 1.092 -1.924 9.555 1.00 . A A . 51 ILE HD11 1 1
2 2068 1 1 51 ILE HD12 H 0.122 -2.938 10.622 1.00 . A A . 51 ILE HD12 1 1
2 2069 1 1 51 ILE HD13 H 0.483 -3.477 8.982 1.00 . A A . 51 ILE HD13 1 1
2 2070 1 1 51 ILE HG12 H -1.781 -2.015 9.844 1.00 . A A . 51 ILE HG12 1 1
2 2071 1 1 51 ILE HG13 H -1.334 -2.416 8.186 1.00 . A A . 51 ILE HG13 1 1
2 2072 1 1 51 ILE HG21 H -2.202 1.068 8.505 1.00 . A A . 51 ILE HG21 1 1
2 2073 1 1 51 ILE HG22 H -2.740 -0.264 9.525 1.00 . A A . 51 ILE HG22 1 1
2 2074 1 1 51 ILE HG23 H -1.629 0.945 10.167 1.00 . A A . 51 ILE HG23 1 1
2 2075 1 1 51 ILE N N -1.825 -0.394 6.654 1.00 . A A . 51 ILE N 1 1
2 2076 1 1 51 ILE O O 0.459 -2.414 7.061 1.00 . A A . 51 ILE O 1 1
2 2077 1 1 52 THR C C 3.219 -0.957 4.323 1.00 . A A . 52 THR C 1 1
2 2078 1 1 52 THR CA C 2.761 -1.489 5.703 1.00 . A A . 52 THR CA 1 1
2 2079 1 1 52 THR CB C 2.446 -2.993 5.610 1.00 . A A . 52 THR CB 1 1
2 2080 1 1 52 THR CG2 C 2.569 -3.635 6.998 1.00 . A A . 52 THR CG2 1 1
2 2081 1 1 52 THR H H 1.592 0.272 6.086 1.00 . A A . 52 THR H 1 1
2 2082 1 1 52 THR HA H 3.577 -1.352 6.401 1.00 . A A . 52 THR HA 1 1
2 2083 1 1 52 THR HB H 3.160 -3.456 4.967 1.00 . A A . 52 THR HB 1 1
2 2084 1 1 52 THR HG1 H 0.787 -2.349 4.817 1.00 . A A . 52 THR HG1 1 1
2 2085 1 1 52 THR HG21 H 2.667 -2.863 7.746 1.00 . A A . 52 THR HG21 1 1
2 2086 1 1 52 THR HG22 H 1.684 -4.222 7.200 1.00 . A A . 52 THR HG22 1 1
2 2087 1 1 52 THR HG23 H 3.438 -4.276 7.024 1.00 . A A . 52 THR HG23 1 1
2 2088 1 1 52 THR N N 1.583 -0.694 6.201 1.00 . A A . 52 THR N 1 1
2 2089 1 1 52 THR O O 4.077 -1.523 3.683 1.00 . A A . 52 THR O 1 1
2 2090 1 1 52 THR OG1 O 1.142 -3.199 5.084 1.00 . A A . 52 THR OG1 1 1
2 2091 1 1 53 ALA C C 4.557 0.979 2.403 1.00 . A A . 53 ALA C 1 1
2 2092 1 1 53 ALA CA C 3.040 0.691 2.525 1.00 . A A . 53 ALA CA 1 1
2 2093 1 1 53 ALA CB C 2.277 1.996 2.306 1.00 . A A . 53 ALA CB 1 1
2 2094 1 1 53 ALA H H 1.955 0.576 4.381 1.00 . A A . 53 ALA H 1 1
2 2095 1 1 53 ALA HA H 2.752 -0.007 1.762 1.00 . A A . 53 ALA HA 1 1
2 2096 1 1 53 ALA HB1 H 1.577 2.141 3.116 1.00 . A A . 53 ALA HB1 1 1
2 2097 1 1 53 ALA HB2 H 2.973 2.821 2.279 1.00 . A A . 53 ALA HB2 1 1
2 2098 1 1 53 ALA HB3 H 1.741 1.945 1.372 1.00 . A A . 53 ALA HB3 1 1
2 2099 1 1 53 ALA N N 2.652 0.129 3.861 1.00 . A A . 53 ALA N 1 1
2 2100 1 1 53 ALA O O 5.030 1.304 1.331 1.00 . A A . 53 ALA O 1 1
2 2101 1 1 54 GLY C C 7.088 2.365 2.478 1.00 . A A . 54 GLY C 1 1
2 2102 1 1 54 GLY CA C 6.801 1.147 3.380 1.00 . A A . 54 GLY CA 1 1
2 2103 1 1 54 GLY H H 4.922 0.600 4.313 1.00 . A A . 54 GLY H 1 1
2 2104 1 1 54 GLY HA2 H 7.178 1.344 4.371 1.00 . A A . 54 GLY HA2 1 1
2 2105 1 1 54 GLY HA3 H 7.302 0.284 2.975 1.00 . A A . 54 GLY HA3 1 1
2 2106 1 1 54 GLY N N 5.317 0.870 3.463 1.00 . A A . 54 GLY N 1 1
2 2107 1 1 54 GLY O O 6.185 3.090 2.126 1.00 . A A . 54 GLY O 1 1
2 2108 1 1 55 SER C C 9.981 4.486 1.834 1.00 . A A . 55 SER C 1 1
2 2109 1 1 55 SER CA C 8.780 3.730 1.223 1.00 . A A . 55 SER CA 1 1
2 2110 1 1 55 SER CB C 7.614 4.690 1.008 1.00 . A A . 55 SER CB 1 1
2 2111 1 1 55 SER H H 9.048 1.949 2.431 1.00 . A A . 55 SER H 1 1
2 2112 1 1 55 SER HA H 9.087 3.344 0.270 1.00 . A A . 55 SER HA 1 1
2 2113 1 1 55 SER HB2 H 7.932 5.514 0.395 1.00 . A A . 55 SER HB2 1 1
2 2114 1 1 55 SER HB3 H 6.812 4.170 0.503 1.00 . A A . 55 SER HB3 1 1
2 2115 1 1 55 SER HG H 6.221 5.307 2.218 1.00 . A A . 55 SER HG 1 1
2 2116 1 1 55 SER N N 8.360 2.571 2.114 1.00 . A A . 55 SER N 1 1
2 2117 1 1 55 SER O O 10.795 3.906 2.520 1.00 . A A . 55 SER O 1 1
2 2118 1 1 55 SER OG O 7.168 5.169 2.271 1.00 . A A . 55 SER OG 1 1
2 2119 1 1 56 VAL C C 10.870 8.010 2.474 1.00 . A A . 56 VAL C 1 1
2 2120 1 1 56 VAL CA C 11.264 6.558 2.126 1.00 . A A . 56 VAL CA 1 1
2 2121 1 1 56 VAL CB C 12.376 6.631 1.097 1.00 . A A . 56 VAL CB 1 1
2 2122 1 1 56 VAL CG1 C 11.817 7.276 -0.178 1.00 . A A . 56 VAL CG1 1 1
2 2123 1 1 56 VAL CG2 C 13.520 7.492 1.645 1.00 . A A . 56 VAL CG2 1 1
2 2124 1 1 56 VAL H H 9.465 6.202 0.998 1.00 . A A . 56 VAL H 1 1
2 2125 1 1 56 VAL HA H 11.624 6.066 3.002 1.00 . A A . 56 VAL HA 1 1
2 2126 1 1 56 VAL HB H 12.733 5.639 0.893 1.00 . A A . 56 VAL HB 1 1
2 2127 1 1 56 VAL HG11 H 10.737 7.233 -0.158 1.00 . A A . 56 VAL HG11 1 1
2 2128 1 1 56 VAL HG12 H 12.132 8.307 -0.227 1.00 . A A . 56 VAL HG12 1 1
2 2129 1 1 56 VAL HG13 H 12.180 6.750 -1.047 1.00 . A A . 56 VAL HG13 1 1
2 2130 1 1 56 VAL HG21 H 13.118 8.394 2.083 1.00 . A A . 56 VAL HG21 1 1
2 2131 1 1 56 VAL HG22 H 14.058 6.937 2.398 1.00 . A A . 56 VAL HG22 1 1
2 2132 1 1 56 VAL HG23 H 14.191 7.751 0.842 1.00 . A A . 56 VAL HG23 1 1
2 2133 1 1 56 VAL N N 10.109 5.769 1.567 1.00 . A A . 56 VAL N 1 1
2 2134 1 1 56 VAL O O 10.814 8.864 1.612 1.00 . A A . 56 VAL O 1 1
2 2135 1 1 57 ASP C C 11.082 9.975 5.476 1.00 . A A . 57 ASP C 1 1
2 2136 1 1 57 ASP CA C 10.328 9.699 4.176 1.00 . A A . 57 ASP CA 1 1
2 2137 1 1 57 ASP CB C 8.819 9.858 4.445 1.00 . A A . 57 ASP CB 1 1
2 2138 1 1 57 ASP CG C 8.570 11.129 5.264 1.00 . A A . 57 ASP CG 1 1
2 2139 1 1 57 ASP H H 10.774 7.604 4.412 1.00 . A A . 57 ASP H 1 1
2 2140 1 1 57 ASP HA H 10.642 10.401 3.419 1.00 . A A . 57 ASP HA 1 1
2 2141 1 1 57 ASP HB2 H 8.283 9.935 3.515 1.00 . A A . 57 ASP HB2 1 1
2 2142 1 1 57 ASP HB3 H 8.458 9.010 4.997 1.00 . A A . 57 ASP HB3 1 1
2 2143 1 1 57 ASP N N 10.665 8.301 3.739 1.00 . A A . 57 ASP N 1 1
2 2144 1 1 57 ASP O O 12.172 10.510 5.474 1.00 . A A . 57 ASP O 1 1
2 2145 1 1 57 ASP OD1 O 9.035 12.178 4.851 1.00 . A A . 57 ASP OD1 1 1
2 2146 1 1 57 ASP OD2 O 7.919 11.029 6.291 1.00 . A A . 57 ASP OD2 1 1
2 2147 1 1 58 GLN C C 10.947 11.250 8.356 1.00 . A A . 58 GLN C 1 1
2 2148 1 1 58 GLN CA C 11.164 9.807 7.896 1.00 . A A . 58 GLN CA 1 1
2 2149 1 1 58 GLN CB C 12.665 9.525 7.773 1.00 . A A . 58 GLN CB 1 1
2 2150 1 1 58 GLN CD C 14.305 7.963 8.836 1.00 . A A . 58 GLN CD 1 1
2 2151 1 1 58 GLN CG C 13.191 8.978 9.102 1.00 . A A . 58 GLN CG 1 1
2 2152 1 1 58 GLN H H 9.623 9.157 6.560 1.00 . A A . 58 GLN H 1 1
2 2153 1 1 58 GLN HA H 10.731 9.127 8.609 1.00 . A A . 58 GLN HA 1 1
2 2154 1 1 58 GLN HB2 H 12.833 8.800 6.990 1.00 . A A . 58 GLN HB2 1 1
2 2155 1 1 58 GLN HB3 H 13.184 10.442 7.532 1.00 . A A . 58 GLN HB3 1 1
2 2156 1 1 58 GLN HE21 H 13.313 7.035 7.387 1.00 . A A . 58 GLN HE21 1 1
2 2157 1 1 58 GLN HE22 H 14.852 6.406 7.731 1.00 . A A . 58 GLN HE22 1 1
2 2158 1 1 58 GLN HG2 H 13.579 9.792 9.697 1.00 . A A . 58 GLN HG2 1 1
2 2159 1 1 58 GLN HG3 H 12.388 8.493 9.636 1.00 . A A . 58 GLN HG3 1 1
2 2160 1 1 58 GLN N N 10.502 9.597 6.586 1.00 . A A . 58 GLN N 1 1
2 2161 1 1 58 GLN NE2 N 14.144 7.059 7.908 1.00 . A A . 58 GLN NE2 1 1
2 2162 1 1 58 GLN O O 11.851 12.061 8.336 1.00 . A A . 58 GLN O 1 1
2 2163 1 1 58 GLN OE1 O 15.335 7.992 9.481 1.00 . A A . 58 GLN OE1 1 1
2 2164 1 1 59 SER C C 8.970 12.945 10.670 1.00 . A A . 59 SER C 1 1
2 2165 1 1 59 SER CA C 9.478 12.969 9.226 1.00 . A A . 59 SER CA 1 1
2 2166 1 1 59 SER CB C 8.421 13.604 8.322 1.00 . A A . 59 SER CB 1 1
2 2167 1 1 59 SER H H 9.035 10.909 8.773 1.00 . A A . 59 SER H 1 1
2 2168 1 1 59 SER HA H 10.388 13.548 9.177 1.00 . A A . 59 SER HA 1 1
2 2169 1 1 59 SER HB2 H 8.300 13.009 7.433 1.00 . A A . 59 SER HB2 1 1
2 2170 1 1 59 SER HB3 H 7.479 13.653 8.851 1.00 . A A . 59 SER HB3 1 1
2 2171 1 1 59 SER HG H 9.803 14.923 7.951 1.00 . A A . 59 SER HG 1 1
2 2172 1 1 59 SER N N 9.753 11.577 8.768 1.00 . A A . 59 SER N 1 1
2 2173 1 1 59 SER O O 9.083 13.915 11.393 1.00 . A A . 59 SER O 1 1
2 2174 1 1 59 SER OG O 8.842 14.912 7.956 1.00 . A A . 59 SER OG 1 1
2 2175 1 1 60 ASP C C 6.750 12.758 12.676 1.00 . A A . 60 ASP C 1 1
2 2176 1 1 60 ASP CA C 7.898 11.764 12.491 1.00 . A A . 60 ASP CA 1 1
2 2177 1 1 60 ASP CB C 9.024 12.105 13.472 1.00 . A A . 60 ASP CB 1 1
2 2178 1 1 60 ASP CG C 9.107 11.021 14.548 1.00 . A A . 60 ASP CG 1 1
2 2179 1 1 60 ASP H H 8.329 11.074 10.498 1.00 . A A . 60 ASP H 1 1
2 2180 1 1 60 ASP HA H 7.542 10.764 12.687 1.00 . A A . 60 ASP HA 1 1
2 2181 1 1 60 ASP HB2 H 9.962 12.157 12.939 1.00 . A A . 60 ASP HB2 1 1
2 2182 1 1 60 ASP HB3 H 8.821 13.056 13.938 1.00 . A A . 60 ASP HB3 1 1
2 2183 1 1 60 ASP N N 8.411 11.847 11.095 1.00 . A A . 60 ASP N 1 1
2 2184 1 1 60 ASP O O 6.689 13.479 13.652 1.00 . A A . 60 ASP O 1 1
2 2185 1 1 60 ASP OD1 O 8.331 11.087 15.489 1.00 . A A . 60 ASP OD1 1 1
2 2186 1 1 60 ASP OD2 O 9.945 10.144 14.416 1.00 . A A . 60 ASP OD2 1 1
2 2187 1 1 61 GLN C C 3.407 12.966 12.160 1.00 . A A . 61 GLN C 1 1
2 2188 1 1 61 GLN CA C 4.693 13.749 11.871 1.00 . A A . 61 GLN CA 1 1
2 2189 1 1 61 GLN CB C 4.535 14.536 10.569 1.00 . A A . 61 GLN CB 1 1
2 2190 1 1 61 GLN CD C 6.357 16.220 10.264 1.00 . A A . 61 GLN CD 1 1
2 2191 1 1 61 GLN CG C 4.943 15.994 10.803 1.00 . A A . 61 GLN CG 1 1
2 2192 1 1 61 GLN H H 5.901 12.212 10.965 1.00 . A A . 61 GLN H 1 1
2 2193 1 1 61 GLN HA H 4.885 14.435 12.684 1.00 . A A . 61 GLN HA 1 1
2 2194 1 1 61 GLN HB2 H 5.164 14.101 9.806 1.00 . A A . 61 GLN HB2 1 1
2 2195 1 1 61 GLN HB3 H 3.504 14.501 10.250 1.00 . A A . 61 GLN HB3 1 1
2 2196 1 1 61 GLN HE21 H 6.979 14.394 10.730 1.00 . A A . 61 GLN HE21 1 1
2 2197 1 1 61 GLN HE22 H 8.140 15.389 9.991 1.00 . A A . 61 GLN HE22 1 1
2 2198 1 1 61 GLN HG2 H 4.253 16.647 10.290 1.00 . A A . 61 GLN HG2 1 1
2 2199 1 1 61 GLN HG3 H 4.924 16.208 11.861 1.00 . A A . 61 GLN HG3 1 1
2 2200 1 1 61 GLN N N 5.835 12.802 11.745 1.00 . A A . 61 GLN N 1 1
2 2201 1 1 61 GLN NE2 N 7.232 15.255 10.335 1.00 . A A . 61 GLN NE2 1 1
2 2202 1 1 61 GLN O O 3.037 12.766 13.300 1.00 . A A . 61 GLN O 1 1
2 2203 1 1 61 GLN OE1 O 6.669 17.288 9.773 1.00 . A A . 61 GLN OE1 1 1
2 2204 1 1 62 SER C C 0.761 11.514 10.027 1.00 . A A . 62 SER C 1 1
2 2205 1 1 62 SER CA C 1.465 11.753 11.366 1.00 . A A . 62 SER CA 1 1
2 2206 1 1 62 SER CB C 0.540 12.546 12.288 1.00 . A A . 62 SER CB 1 1
2 2207 1 1 62 SER H H 3.038 12.691 10.228 1.00 . A A . 62 SER H 1 1
2 2208 1 1 62 SER HA H 1.701 10.804 11.823 1.00 . A A . 62 SER HA 1 1
2 2209 1 1 62 SER HB2 H 1.093 13.344 12.755 1.00 . A A . 62 SER HB2 1 1
2 2210 1 1 62 SER HB3 H -0.270 12.967 11.707 1.00 . A A . 62 SER HB3 1 1
2 2211 1 1 62 SER HG H 0.197 12.083 14.147 1.00 . A A . 62 SER HG 1 1
2 2212 1 1 62 SER N N 2.724 12.520 11.140 1.00 . A A . 62 SER N 1 1
2 2213 1 1 62 SER O O 0.446 10.395 9.671 1.00 . A A . 62 SER O 1 1
2 2214 1 1 62 SER OG O 0.024 11.682 13.291 1.00 . A A . 62 SER OG 1 1
2 2215 1 1 63 PHE C C 0.870 12.091 6.890 1.00 . A A . 63 PHE C 1 1
2 2216 1 1 63 PHE CA C -0.173 12.387 7.967 1.00 . A A . 63 PHE CA 1 1
2 2217 1 1 63 PHE CB C -0.947 13.662 7.600 1.00 . A A . 63 PHE CB 1 1
2 2218 1 1 63 PHE CD1 C 0.978 15.287 7.490 1.00 . A A . 63 PHE CD1 1 1
2 2219 1 1 63 PHE CD2 C -0.717 15.598 9.194 1.00 . A A . 63 PHE CD2 1 1
2 2220 1 1 63 PHE CE1 C 1.659 16.415 7.963 1.00 . A A . 63 PHE CE1 1 1
2 2221 1 1 63 PHE CE2 C -0.037 16.724 9.668 1.00 . A A . 63 PHE CE2 1 1
2 2222 1 1 63 PHE CG C -0.210 14.879 8.106 1.00 . A A . 63 PHE CG 1 1
2 2223 1 1 63 PHE CZ C 1.151 17.134 9.051 1.00 . A A . 63 PHE CZ 1 1
2 2224 1 1 63 PHE H H 0.776 13.448 9.593 1.00 . A A . 63 PHE H 1 1
2 2225 1 1 63 PHE HA H -0.863 11.557 8.029 1.00 . A A . 63 PHE HA 1 1
2 2226 1 1 63 PHE HB2 H -1.043 13.724 6.526 1.00 . A A . 63 PHE HB2 1 1
2 2227 1 1 63 PHE HB3 H -1.929 13.625 8.048 1.00 . A A . 63 PHE HB3 1 1
2 2228 1 1 63 PHE HD1 H 1.370 14.733 6.649 1.00 . A A . 63 PHE HD1 1 1
2 2229 1 1 63 PHE HD2 H -1.636 15.282 9.668 1.00 . A A . 63 PHE HD2 1 1
2 2230 1 1 63 PHE HE1 H 2.576 16.731 7.488 1.00 . A A . 63 PHE HE1 1 1
2 2231 1 1 63 PHE HE2 H -0.430 17.280 10.508 1.00 . A A . 63 PHE HE2 1 1
2 2232 1 1 63 PHE HZ H 1.677 18.004 9.417 1.00 . A A . 63 PHE HZ 1 1
2 2233 1 1 63 PHE N N 0.512 12.558 9.284 1.00 . A A . 63 PHE N 1 1
2 2234 1 1 63 PHE O O 0.912 12.729 5.858 1.00 . A A . 63 PHE O 1 1
2 2235 1 1 64 LEU C C 2.664 9.266 5.821 1.00 . A A . 64 LEU C 1 1
2 2236 1 1 64 LEU CA C 2.743 10.766 6.114 1.00 . A A . 64 LEU CA 1 1
2 2237 1 1 64 LEU CB C 4.131 11.113 6.663 1.00 . A A . 64 LEU CB 1 1
2 2238 1 1 64 LEU CD1 C 4.102 13.453 7.539 1.00 . A A . 64 LEU CD1 1 1
2 2239 1 1 64 LEU CD2 C 5.953 12.709 6.042 1.00 . A A . 64 LEU CD2 1 1
2 2240 1 1 64 LEU CG C 4.459 12.573 6.342 1.00 . A A . 64 LEU CG 1 1
2 2241 1 1 64 LEU H H 1.649 10.612 7.960 1.00 . A A . 64 LEU H 1 1
2 2242 1 1 64 LEU HA H 2.565 11.320 5.204 1.00 . A A . 64 LEU HA 1 1
2 2243 1 1 64 LEU HB2 H 4.142 10.968 7.732 1.00 . A A . 64 LEU HB2 1 1
2 2244 1 1 64 LEU HB3 H 4.871 10.472 6.205 1.00 . A A . 64 LEU HB3 1 1
2 2245 1 1 64 LEU HD11 H 3.670 12.843 8.318 1.00 . A A . 64 LEU HD11 1 1
2 2246 1 1 64 LEU HD12 H 4.996 13.931 7.911 1.00 . A A . 64 LEU HD12 1 1
2 2247 1 1 64 LEU HD13 H 3.391 14.206 7.235 1.00 . A A . 64 LEU HD13 1 1
2 2248 1 1 64 LEU HD21 H 6.234 12.001 5.276 1.00 . A A . 64 LEU HD21 1 1
2 2249 1 1 64 LEU HD22 H 6.161 13.711 5.700 1.00 . A A . 64 LEU HD22 1 1
2 2250 1 1 64 LEU HD23 H 6.518 12.511 6.941 1.00 . A A . 64 LEU HD23 1 1
2 2251 1 1 64 LEU HG H 3.887 12.889 5.480 1.00 . A A . 64 LEU HG 1 1
2 2252 1 1 64 LEU N N 1.707 11.118 7.122 1.00 . A A . 64 LEU N 1 1
2 2253 1 1 64 LEU O O 2.030 8.841 4.880 1.00 . A A . 64 LEU O 1 1
2 2254 1 1 65 ASP C C 3.997 6.266 7.500 1.00 . A A . 65 ASP C 1 1
2 2255 1 1 65 ASP CA C 3.249 6.989 6.382 1.00 . A A . 65 ASP CA 1 1
2 2256 1 1 65 ASP CB C 3.909 6.678 5.038 1.00 . A A . 65 ASP CB 1 1
2 2257 1 1 65 ASP CG C 3.600 5.236 4.634 1.00 . A A . 65 ASP CG 1 1
2 2258 1 1 65 ASP H H 3.803 8.816 7.384 1.00 . A A . 65 ASP H 1 1
2 2259 1 1 65 ASP HA H 2.219 6.659 6.365 1.00 . A A . 65 ASP HA 1 1
2 2260 1 1 65 ASP HB2 H 3.525 7.351 4.285 1.00 . A A . 65 ASP HB2 1 1
2 2261 1 1 65 ASP HB3 H 4.978 6.805 5.124 1.00 . A A . 65 ASP HB3 1 1
2 2262 1 1 65 ASP N N 3.298 8.458 6.623 1.00 . A A . 65 ASP N 1 1
2 2263 1 1 65 ASP O O 4.974 6.763 8.024 1.00 . A A . 65 ASP O 1 1
2 2264 1 1 65 ASP OD1 O 2.493 4.794 4.890 1.00 . A A . 65 ASP OD1 1 1
2 2265 1 1 65 ASP OD2 O 4.477 4.599 4.075 1.00 . A A . 65 ASP OD2 1 1
2 2266 1 1 66 ASP C C 4.381 5.278 10.154 1.00 . A A . 66 ASP C 1 1
2 2267 1 1 66 ASP CA C 4.232 4.352 8.951 1.00 . A A . 66 ASP CA 1 1
2 2268 1 1 66 ASP CB C 5.608 3.892 8.458 1.00 . A A . 66 ASP CB 1 1
2 2269 1 1 66 ASP CG C 5.577 3.683 6.940 1.00 . A A . 66 ASP CG 1 1
2 2270 1 1 66 ASP H H 2.771 4.713 7.449 1.00 . A A . 66 ASP H 1 1
2 2271 1 1 66 ASP HA H 3.640 3.493 9.228 1.00 . A A . 66 ASP HA 1 1
2 2272 1 1 66 ASP HB2 H 6.342 4.640 8.701 1.00 . A A . 66 ASP HB2 1 1
2 2273 1 1 66 ASP HB3 H 5.868 2.963 8.936 1.00 . A A . 66 ASP HB3 1 1
2 2274 1 1 66 ASP N N 3.550 5.096 7.873 1.00 . A A . 66 ASP N 1 1
2 2275 1 1 66 ASP O O 5.286 6.083 10.213 1.00 . A A . 66 ASP O 1 1
2 2276 1 1 66 ASP OD1 O 5.552 4.672 6.225 1.00 . A A . 66 ASP OD1 1 1
2 2277 1 1 66 ASP OD2 O 5.580 2.538 6.518 1.00 . A A . 66 ASP OD2 1 1
2 2278 1 1 67 ASP C C 5.003 6.305 12.684 1.00 . A A . 67 ASP C 1 1
2 2279 1 1 67 ASP CA C 3.541 6.041 12.322 1.00 . A A . 67 ASP CA 1 1
2 2280 1 1 67 ASP CB C 2.848 5.331 13.488 1.00 . A A . 67 ASP CB 1 1
2 2281 1 1 67 ASP CG C 1.364 5.705 13.509 1.00 . A A . 67 ASP CG 1 1
2 2282 1 1 67 ASP H H 2.759 4.520 11.010 1.00 . A A . 67 ASP H 1 1
2 2283 1 1 67 ASP HA H 3.044 6.978 12.122 1.00 . A A . 67 ASP HA 1 1
2 2284 1 1 67 ASP HB2 H 2.947 4.261 13.369 1.00 . A A . 67 ASP HB2 1 1
2 2285 1 1 67 ASP HB3 H 3.305 5.633 14.419 1.00 . A A . 67 ASP HB3 1 1
2 2286 1 1 67 ASP N N 3.481 5.171 11.105 1.00 . A A . 67 ASP N 1 1
2 2287 1 1 67 ASP O O 5.357 7.355 13.181 1.00 . A A . 67 ASP O 1 1
2 2288 1 1 67 ASP OD1 O 1.062 6.831 13.870 1.00 . A A . 67 ASP OD1 1 1
2 2289 1 1 67 ASP OD2 O 0.555 4.859 13.163 1.00 . A A . 67 ASP OD2 1 1
2 2290 1 1 68 GLN C C 8.056 4.343 12.125 1.00 . A A . 68 GLN C 1 1
2 2291 1 1 68 GLN CA C 7.294 5.528 12.712 1.00 . A A . 68 GLN CA 1 1
2 2292 1 1 68 GLN CB C 7.505 5.579 14.224 1.00 . A A . 68 GLN CB 1 1
2 2293 1 1 68 GLN CD C 6.701 3.215 14.317 1.00 . A A . 68 GLN CD 1 1
2 2294 1 1 68 GLN CG C 6.531 4.616 14.906 1.00 . A A . 68 GLN CG 1 1
2 2295 1 1 68 GLN H H 5.538 4.523 12.005 1.00 . A A . 68 GLN H 1 1
2 2296 1 1 68 GLN HA H 7.654 6.447 12.257 1.00 . A A . 68 GLN HA 1 1
2 2297 1 1 68 GLN HB2 H 8.521 5.290 14.455 1.00 . A A . 68 GLN HB2 1 1
2 2298 1 1 68 GLN HB3 H 7.326 6.583 14.580 1.00 . A A . 68 GLN HB3 1 1
2 2299 1 1 68 GLN HE21 H 5.000 3.280 13.295 1.00 . A A . 68 GLN HE21 1 1
2 2300 1 1 68 GLN HE22 H 5.889 1.843 13.133 1.00 . A A . 68 GLN HE22 1 1
2 2301 1 1 68 GLN HG2 H 6.735 4.590 15.967 1.00 . A A . 68 GLN HG2 1 1
2 2302 1 1 68 GLN HG3 H 5.519 4.953 14.741 1.00 . A A . 68 GLN HG3 1 1
2 2303 1 1 68 GLN N N 5.852 5.355 12.415 1.00 . A A . 68 GLN N 1 1
2 2304 1 1 68 GLN NE2 N 5.788 2.740 13.515 1.00 . A A . 68 GLN NE2 1 1
2 2305 1 1 68 GLN O O 8.867 3.736 12.794 1.00 . A A . 68 GLN O 1 1
2 2306 1 1 68 GLN OE1 O 7.677 2.543 14.588 1.00 . A A . 68 GLN OE1 1 1
2 2307 1 1 69 ILE C C 7.689 1.576 10.433 1.00 . A A . 69 ILE C 1 1
2 2308 1 1 69 ILE CA C 8.486 2.863 10.217 1.00 . A A . 69 ILE CA 1 1
2 2309 1 1 69 ILE CB C 9.902 2.683 10.781 1.00 . A A . 69 ILE CB 1 1
2 2310 1 1 69 ILE CD1 C 11.316 4.178 12.209 1.00 . A A . 69 ILE CD1 1 1
2 2311 1 1 69 ILE CG1 C 10.601 4.045 10.866 1.00 . A A . 69 ILE CG1 1 1
2 2312 1 1 69 ILE CG2 C 10.704 1.762 9.860 1.00 . A A . 69 ILE CG2 1 1
2 2313 1 1 69 ILE H H 7.111 4.524 10.374 1.00 . A A . 69 ILE H 1 1
2 2314 1 1 69 ILE HA H 8.551 3.059 9.155 1.00 . A A . 69 ILE HA 1 1
2 2315 1 1 69 ILE HB H 9.846 2.241 11.765 1.00 . A A . 69 ILE HB 1 1
2 2316 1 1 69 ILE HD11 H 10.952 3.423 12.888 1.00 . A A . 69 ILE HD11 1 1
2 2317 1 1 69 ILE HD12 H 12.379 4.051 12.064 1.00 . A A . 69 ILE HD12 1 1
2 2318 1 1 69 ILE HD13 H 11.125 5.158 12.623 1.00 . A A . 69 ILE HD13 1 1
2 2319 1 1 69 ILE HG12 H 11.323 4.124 10.071 1.00 . A A . 69 ILE HG12 1 1
2 2320 1 1 69 ILE HG13 H 9.872 4.834 10.768 1.00 . A A . 69 ILE HG13 1 1
2 2321 1 1 69 ILE HG21 H 10.025 1.190 9.243 1.00 . A A . 69 ILE HG21 1 1
2 2322 1 1 69 ILE HG22 H 11.350 2.355 9.231 1.00 . A A . 69 ILE HG22 1 1
2 2323 1 1 69 ILE HG23 H 11.302 1.089 10.457 1.00 . A A . 69 ILE HG23 1 1
2 2324 1 1 69 ILE N N 7.787 4.011 10.879 1.00 . A A . 69 ILE N 1 1
2 2325 1 1 69 ILE O O 8.227 0.488 10.382 1.00 . A A . 69 ILE O 1 1
2 2326 1 1 70 GLU C C 4.129 0.847 11.076 1.00 . A A . 70 GLU C 1 1
2 2327 1 1 70 GLU CA C 5.591 0.465 10.868 1.00 . A A . 70 GLU CA 1 1
2 2328 1 1 70 GLU CB C 6.100 -0.301 12.089 1.00 . A A . 70 GLU CB 1 1
2 2329 1 1 70 GLU CD C 6.855 -2.562 12.836 1.00 . A A . 70 GLU CD 1 1
2 2330 1 1 70 GLU CG C 5.997 -1.802 11.823 1.00 . A A . 70 GLU CG 1 1
2 2331 1 1 70 GLU H H 5.988 2.564 10.695 1.00 . A A . 70 GLU H 1 1
2 2332 1 1 70 GLU HA H 5.674 -0.159 9.995 1.00 . A A . 70 GLU HA 1 1
2 2333 1 1 70 GLU HB2 H 7.131 -0.036 12.276 1.00 . A A . 70 GLU HB2 1 1
2 2334 1 1 70 GLU HB3 H 5.499 -0.047 12.950 1.00 . A A . 70 GLU HB3 1 1
2 2335 1 1 70 GLU HG2 H 4.966 -2.114 11.915 1.00 . A A . 70 GLU HG2 1 1
2 2336 1 1 70 GLU HG3 H 6.348 -2.015 10.823 1.00 . A A . 70 GLU HG3 1 1
2 2337 1 1 70 GLU N N 6.409 1.686 10.665 1.00 . A A . 70 GLU N 1 1
2 2338 1 1 70 GLU O O 3.612 0.779 12.175 1.00 . A A . 70 GLU O 1 1
2 2339 1 1 70 GLU OE1 O 8.061 -2.595 12.653 1.00 . A A . 70 GLU OE1 1 1
2 2340 1 1 70 GLU OE2 O 6.292 -3.096 13.776 1.00 . A A . 70 GLU OE2 1 1
2 2341 1 1 71 ALA C C 1.577 2.430 8.946 1.00 . A A . 71 ALA C 1 1
2 2342 1 1 71 ALA CA C 2.020 1.611 10.163 1.00 . A A . 71 ALA CA 1 1
2 2343 1 1 71 ALA CB C 1.824 2.443 11.432 1.00 . A A . 71 ALA CB 1 1
2 2344 1 1 71 ALA H H 3.887 1.273 9.153 1.00 . A A . 71 ALA H 1 1
2 2345 1 1 71 ALA HA H 1.428 0.718 10.230 1.00 . A A . 71 ALA HA 1 1
2 2346 1 1 71 ALA HB1 H 2.782 2.791 11.787 1.00 . A A . 71 ALA HB1 1 1
2 2347 1 1 71 ALA HB2 H 1.190 3.291 11.213 1.00 . A A . 71 ALA HB2 1 1
2 2348 1 1 71 ALA HB3 H 1.360 1.834 12.194 1.00 . A A . 71 ALA HB3 1 1
2 2349 1 1 71 ALA N N 3.453 1.237 10.029 1.00 . A A . 71 ALA N 1 1
2 2350 1 1 71 ALA O O 1.193 3.577 9.071 1.00 . A A . 71 ALA O 1 1
2 2351 1 1 72 GLY C C -0.142 3.324 6.827 1.00 . A A . 72 GLY C 1 1
2 2352 1 1 72 GLY CA C 1.202 2.635 6.561 1.00 . A A . 72 GLY CA 1 1
2 2353 1 1 72 GLY H H 1.943 0.934 7.670 1.00 . A A . 72 GLY H 1 1
2 2354 1 1 72 GLY HA2 H 1.950 3.377 6.339 1.00 . A A . 72 GLY HA2 1 1
2 2355 1 1 72 GLY HA3 H 1.098 1.969 5.720 1.00 . A A . 72 GLY HA3 1 1
2 2356 1 1 72 GLY N N 1.626 1.863 7.766 1.00 . A A . 72 GLY N 1 1
2 2357 1 1 72 GLY O O -0.468 4.308 6.196 1.00 . A A . 72 GLY O 1 1
2 2358 1 1 73 TYR C C -2.514 4.722 7.448 1.00 . A A . 73 TYR C 1 1
2 2359 1 1 73 TYR CA C -2.260 3.363 8.114 1.00 . A A . 73 TYR CA 1 1
2 2360 1 1 73 TYR CB C -2.342 3.531 9.633 1.00 . A A . 73 TYR CB 1 1
2 2361 1 1 73 TYR CD1 C -4.827 3.954 9.611 1.00 . A A . 73 TYR CD1 1 1
2 2362 1 1 73 TYR CD2 C -3.958 2.176 11.012 1.00 . A A . 73 TYR CD2 1 1
2 2363 1 1 73 TYR CE1 C -6.126 3.660 10.040 1.00 . A A . 73 TYR CE1 1 1
2 2364 1 1 73 TYR CE2 C -5.259 1.880 11.442 1.00 . A A . 73 TYR CE2 1 1
2 2365 1 1 73 TYR CG C -3.743 3.213 10.097 1.00 . A A . 73 TYR CG 1 1
2 2366 1 1 73 TYR CZ C -6.343 2.622 10.955 1.00 . A A . 73 TYR CZ 1 1
2 2367 1 1 73 TYR H H -0.598 1.992 8.225 1.00 . A A . 73 TYR H 1 1
2 2368 1 1 73 TYR HA H -3.026 2.671 7.799 1.00 . A A . 73 TYR HA 1 1
2 2369 1 1 73 TYR HB2 H -1.643 2.858 10.107 1.00 . A A . 73 TYR HB2 1 1
2 2370 1 1 73 TYR HB3 H -2.099 4.550 9.896 1.00 . A A . 73 TYR HB3 1 1
2 2371 1 1 73 TYR HD1 H -4.659 4.755 8.905 1.00 . A A . 73 TYR HD1 1 1
2 2372 1 1 73 TYR HD2 H -3.124 1.603 11.388 1.00 . A A . 73 TYR HD2 1 1
2 2373 1 1 73 TYR HE1 H -6.960 4.232 9.665 1.00 . A A . 73 TYR HE1 1 1
2 2374 1 1 73 TYR HE2 H -5.425 1.079 12.147 1.00 . A A . 73 TYR HE2 1 1
2 2375 1 1 73 TYR HH H -7.611 2.259 12.335 1.00 . A A . 73 TYR HH 1 1
2 2376 1 1 73 TYR N N -0.912 2.794 7.755 1.00 . A A . 73 TYR N 1 1
2 2377 1 1 73 TYR O O -3.364 4.848 6.589 1.00 . A A . 73 TYR O 1 1
2 2378 1 1 73 TYR OH O -7.624 2.330 11.377 1.00 . A A . 73 TYR OH 1 1
2 2379 1 1 74 VAL C C -1.758 7.021 5.723 1.00 . A A . 74 VAL C 1 1
2 2380 1 1 74 VAL CA C -2.020 7.086 7.234 1.00 . A A . 74 VAL CA 1 1
2 2381 1 1 74 VAL CB C -1.072 8.098 7.885 1.00 . A A . 74 VAL CB 1 1
2 2382 1 1 74 VAL CG1 C -1.315 8.122 9.395 1.00 . A A . 74 VAL CG1 1 1
2 2383 1 1 74 VAL CG2 C 0.377 7.690 7.608 1.00 . A A . 74 VAL CG2 1 1
2 2384 1 1 74 VAL H H -1.125 5.624 8.543 1.00 . A A . 74 VAL H 1 1
2 2385 1 1 74 VAL HA H -3.041 7.393 7.405 1.00 . A A . 74 VAL HA 1 1
2 2386 1 1 74 VAL HB H -1.257 9.080 7.477 1.00 . A A . 74 VAL HB 1 1
2 2387 1 1 74 VAL HG11 H -1.973 7.310 9.666 1.00 . A A . 74 VAL HG11 1 1
2 2388 1 1 74 VAL HG12 H -0.373 8.012 9.913 1.00 . A A . 74 VAL HG12 1 1
2 2389 1 1 74 VAL HG13 H -1.770 9.061 9.670 1.00 . A A . 74 VAL HG13 1 1
2 2390 1 1 74 VAL HG21 H 0.466 6.616 7.669 1.00 . A A . 74 VAL HG21 1 1
2 2391 1 1 74 VAL HG22 H 0.660 8.020 6.619 1.00 . A A . 74 VAL HG22 1 1
2 2392 1 1 74 VAL HG23 H 1.025 8.148 8.340 1.00 . A A . 74 VAL HG23 1 1
2 2393 1 1 74 VAL N N -1.799 5.741 7.843 1.00 . A A . 74 VAL N 1 1
2 2394 1 1 74 VAL O O -2.053 6.032 5.080 1.00 . A A . 74 VAL O 1 1
2 2395 1 1 75 LEU C C 0.096 6.956 3.386 1.00 . A A . 75 LEU C 1 1
2 2396 1 1 75 LEU CA C -0.947 8.035 3.683 1.00 . A A . 75 LEU CA 1 1
2 2397 1 1 75 LEU CB C -0.435 9.405 3.232 1.00 . A A . 75 LEU CB 1 1
2 2398 1 1 75 LEU CD1 C -1.008 11.832 3.053 1.00 . A A . 75 LEU CD1 1 1
2 2399 1 1 75 LEU CD2 C -2.817 10.110 2.964 1.00 . A A . 75 LEU CD2 1 1
2 2400 1 1 75 LEU CG C -1.468 10.475 3.590 1.00 . A A . 75 LEU CG 1 1
2 2401 1 1 75 LEU H H -0.982 8.851 5.674 1.00 . A A . 75 LEU H 1 1
2 2402 1 1 75 LEU HA H -1.861 7.800 3.156 1.00 . A A . 75 LEU HA 1 1
2 2403 1 1 75 LEU HB2 H 0.496 9.623 3.729 1.00 . A A . 75 LEU HB2 1 1
2 2404 1 1 75 LEU HB3 H -0.282 9.400 2.162 1.00 . A A . 75 LEU HB3 1 1
2 2405 1 1 75 LEU HD11 H -0.200 11.686 2.353 1.00 . A A . 75 LEU HD11 1 1
2 2406 1 1 75 LEU HD12 H -1.833 12.320 2.554 1.00 . A A . 75 LEU HD12 1 1
2 2407 1 1 75 LEU HD13 H -0.668 12.448 3.873 1.00 . A A . 75 LEU HD13 1 1
2 2408 1 1 75 LEU HD21 H -2.695 9.249 2.325 1.00 . A A . 75 LEU HD21 1 1
2 2409 1 1 75 LEU HD22 H -3.527 9.883 3.745 1.00 . A A . 75 LEU HD22 1 1
2 2410 1 1 75 LEU HD23 H -3.180 10.944 2.380 1.00 . A A . 75 LEU HD23 1 1
2 2411 1 1 75 LEU HG H -1.571 10.530 4.664 1.00 . A A . 75 LEU HG 1 1
2 2412 1 1 75 LEU N N -1.213 8.059 5.148 1.00 . A A . 75 LEU N 1 1
2 2413 1 1 75 LEU O O 1.091 6.831 4.073 1.00 . A A . 75 LEU O 1 1
2 2414 1 1 76 THR C C 1.810 5.498 0.976 1.00 . A A . 76 THR C 1 1
2 2415 1 1 76 THR CA C 0.820 5.057 2.058 1.00 . A A . 76 THR CA 1 1
2 2416 1 1 76 THR CB C 0.060 3.802 1.576 1.00 . A A . 76 THR CB 1 1
2 2417 1 1 76 THR CG2 C -1.430 4.103 1.385 1.00 . A A . 76 THR CG2 1 1
2 2418 1 1 76 THR H H -0.958 6.269 1.857 1.00 . A A . 76 THR H 1 1
2 2419 1 1 76 THR HA H 1.373 4.806 2.951 1.00 . A A . 76 THR HA 1 1
2 2420 1 1 76 THR HB H 0.166 3.022 2.314 1.00 . A A . 76 THR HB 1 1
2 2421 1 1 76 THR HG1 H 0.354 2.438 0.223 1.00 . A A . 76 THR HG1 1 1
2 2422 1 1 76 THR HG21 H -1.543 4.927 0.696 1.00 . A A . 76 THR HG21 1 1
2 2423 1 1 76 THR HG22 H -1.924 3.229 0.986 1.00 . A A . 76 THR HG22 1 1
2 2424 1 1 76 THR HG23 H -1.870 4.364 2.335 1.00 . A A . 76 THR HG23 1 1
2 2425 1 1 76 THR N N -0.141 6.156 2.384 1.00 . A A . 76 THR N 1 1
2 2426 1 1 76 THR O O 2.710 4.763 0.621 1.00 . A A . 76 THR O 1 1
2 2427 1 1 76 THR OG1 O 0.605 3.357 0.344 1.00 . A A . 76 THR OG1 1 1
2 2428 1 1 77 CYS C C 3.375 8.368 -0.182 1.00 . A A . 77 CYS C 1 1
2 2429 1 1 77 CYS CA C 2.613 7.114 -0.626 1.00 . A A . 77 CYS CA 1 1
2 2430 1 1 77 CYS CB C 1.843 7.403 -1.919 1.00 . A A . 77 CYS CB 1 1
2 2431 1 1 77 CYS H H 0.930 7.264 0.720 1.00 . A A . 77 CYS H 1 1
2 2432 1 1 77 CYS HA H 3.321 6.320 -0.811 1.00 . A A . 77 CYS HA 1 1
2 2433 1 1 77 CYS HB2 H 2.539 7.472 -2.742 1.00 . A A . 77 CYS HB2 1 1
2 2434 1 1 77 CYS HB3 H 1.144 6.601 -2.106 1.00 . A A . 77 CYS HB3 1 1
2 2435 1 1 77 CYS N N 1.662 6.677 0.436 1.00 . A A . 77 CYS N 1 1
2 2436 1 1 77 CYS O O 3.988 9.044 -0.982 1.00 . A A . 77 CYS O 1 1
2 2437 1 1 77 CYS SG S 0.942 8.963 -1.762 1.00 . A A . 77 CYS SG 1 1
2 2438 1 1 78 VAL C C 5.533 9.497 1.902 1.00 . A A . 78 VAL C 1 1
2 2439 1 1 78 VAL CA C 4.094 9.886 1.558 1.00 . A A . 78 VAL CA 1 1
2 2440 1 1 78 VAL CB C 3.413 10.464 2.797 1.00 . A A . 78 VAL CB 1 1
2 2441 1 1 78 VAL CG1 C 4.194 11.686 3.282 1.00 . A A . 78 VAL CG1 1 1
2 2442 1 1 78 VAL CG2 C 1.985 10.879 2.440 1.00 . A A . 78 VAL CG2 1 1
2 2443 1 1 78 VAL H H 2.863 8.122 1.724 1.00 . A A . 78 VAL H 1 1
2 2444 1 1 78 VAL HA H 4.102 10.629 0.775 1.00 . A A . 78 VAL HA 1 1
2 2445 1 1 78 VAL HB H 3.390 9.717 3.576 1.00 . A A . 78 VAL HB 1 1
2 2446 1 1 78 VAL HG11 H 4.723 12.128 2.452 1.00 . A A . 78 VAL HG11 1 1
2 2447 1 1 78 VAL HG12 H 3.507 12.409 3.698 1.00 . A A . 78 VAL HG12 1 1
2 2448 1 1 78 VAL HG13 H 4.901 11.382 4.040 1.00 . A A . 78 VAL HG13 1 1
2 2449 1 1 78 VAL HG21 H 1.465 10.041 2.003 1.00 . A A . 78 VAL HG21 1 1
2 2450 1 1 78 VAL HG22 H 1.470 11.199 3.332 1.00 . A A . 78 VAL HG22 1 1
2 2451 1 1 78 VAL HG23 H 2.014 11.692 1.730 1.00 . A A . 78 VAL HG23 1 1
2 2452 1 1 78 VAL N N 3.354 8.679 1.086 1.00 . A A . 78 VAL N 1 1
2 2453 1 1 78 VAL O O 6.292 10.293 2.422 1.00 . A A . 78 VAL O 1 1
2 2454 1 1 79 ALA C C 7.500 7.616 3.412 1.00 . A A . 79 ALA C 1 1
2 2455 1 1 79 ALA CA C 7.310 7.843 1.897 1.00 . A A . 79 ALA CA 1 1
2 2456 1 1 79 ALA CB C 8.278 8.916 1.390 1.00 . A A . 79 ALA CB 1 1
2 2457 1 1 79 ALA H H 5.290 7.664 1.179 1.00 . A A . 79 ALA H 1 1
2 2458 1 1 79 ALA HA H 7.508 6.933 1.371 1.00 . A A . 79 ALA HA 1 1
2 2459 1 1 79 ALA HB1 H 7.721 9.765 1.028 1.00 . A A . 79 ALA HB1 1 1
2 2460 1 1 79 ALA HB2 H 8.923 9.224 2.190 1.00 . A A . 79 ALA HB2 1 1
2 2461 1 1 79 ALA HB3 H 8.872 8.509 0.586 1.00 . A A . 79 ALA HB3 1 1
2 2462 1 1 79 ALA N N 5.917 8.284 1.605 1.00 . A A . 79 ALA N 1 1
2 2463 1 1 79 ALA O O 6.695 8.039 4.209 1.00 . A A . 79 ALA O 1 1
2 2464 1 1 80 TYR C C 9.984 5.623 5.290 1.00 . A A . 80 TYR C 1 1
2 2465 1 1 80 TYR CA C 8.869 6.680 5.245 1.00 . A A . 80 TYR CA 1 1
2 2466 1 1 80 TYR CB C 7.615 6.202 5.984 1.00 . A A . 80 TYR CB 1 1
2 2467 1 1 80 TYR CD1 C 6.963 8.425 7.019 1.00 . A A . 80 TYR CD1 1 1
2 2468 1 1 80 TYR CD2 C 7.583 6.594 8.478 1.00 . A A . 80 TYR CD2 1 1
2 2469 1 1 80 TYR CE1 C 6.753 9.244 8.132 1.00 . A A . 80 TYR CE1 1 1
2 2470 1 1 80 TYR CE2 C 7.374 7.415 9.590 1.00 . A A . 80 TYR CE2 1 1
2 2471 1 1 80 TYR CG C 7.380 7.095 7.188 1.00 . A A . 80 TYR CG 1 1
2 2472 1 1 80 TYR CZ C 6.959 8.740 9.419 1.00 . A A . 80 TYR CZ 1 1
2 2473 1 1 80 TYR H H 9.200 6.626 3.135 1.00 . A A . 80 TYR H 1 1
2 2474 1 1 80 TYR HA H 9.236 7.583 5.703 1.00 . A A . 80 TYR HA 1 1
2 2475 1 1 80 TYR HB2 H 6.763 6.255 5.320 1.00 . A A . 80 TYR HB2 1 1
2 2476 1 1 80 TYR HB3 H 7.755 5.184 6.312 1.00 . A A . 80 TYR HB3 1 1
2 2477 1 1 80 TYR HD1 H 6.807 8.821 6.032 1.00 . A A . 80 TYR HD1 1 1
2 2478 1 1 80 TYR HD2 H 7.908 5.574 8.615 1.00 . A A . 80 TYR HD2 1 1
2 2479 1 1 80 TYR HE1 H 6.433 10.267 7.999 1.00 . A A . 80 TYR HE1 1 1
2 2480 1 1 80 TYR HE2 H 7.532 7.027 10.580 1.00 . A A . 80 TYR HE2 1 1
2 2481 1 1 80 TYR HH H 7.510 9.454 11.102 1.00 . A A . 80 TYR HH 1 1
2 2482 1 1 80 TYR N N 8.571 6.951 3.802 1.00 . A A . 80 TYR N 1 1
2 2483 1 1 80 TYR O O 10.064 4.792 4.419 1.00 . A A . 80 TYR O 1 1
2 2484 1 1 80 TYR OH O 6.753 9.547 10.519 1.00 . A A . 80 TYR OH 1 1
2 2485 1 1 81 PRO C C 11.725 3.407 5.901 1.00 . A A . 81 PRO C 1 1
2 2486 1 1 81 PRO CA C 11.997 4.817 6.432 1.00 . A A . 81 PRO CA 1 1
2 2487 1 1 81 PRO CB C 12.275 4.833 7.937 1.00 . A A . 81 PRO CB 1 1
2 2488 1 1 81 PRO CD C 10.711 6.689 7.367 1.00 . A A . 81 PRO CD 1 1
2 2489 1 1 81 PRO CG C 11.515 6.061 8.519 1.00 . A A . 81 PRO CG 1 1
2 2490 1 1 81 PRO HA H 12.846 5.235 5.917 1.00 . A A . 81 PRO HA 1 1
2 2491 1 1 81 PRO HB2 H 11.915 3.919 8.383 1.00 . A A . 81 PRO HB2 1 1
2 2492 1 1 81 PRO HB3 H 13.333 4.942 8.117 1.00 . A A . 81 PRO HB3 1 1
2 2493 1 1 81 PRO HD2 H 9.680 6.818 7.647 1.00 . A A . 81 PRO HD2 1 1
2 2494 1 1 81 PRO HD3 H 11.149 7.624 7.074 1.00 . A A . 81 PRO HD3 1 1
2 2495 1 1 81 PRO HG2 H 10.846 5.742 9.303 1.00 . A A . 81 PRO HG2 1 1
2 2496 1 1 81 PRO HG3 H 12.218 6.782 8.904 1.00 . A A . 81 PRO HG3 1 1
2 2497 1 1 81 PRO N N 10.838 5.715 6.281 1.00 . A A . 81 PRO N 1 1
2 2498 1 1 81 PRO O O 11.171 2.571 6.582 1.00 . A A . 81 PRO O 1 1
2 2499 1 1 82 THR C C 11.272 0.841 4.834 1.00 . A A . 82 THR C 1 1
2 2500 1 1 82 THR CA C 11.985 1.866 3.975 1.00 . A A . 82 THR CA 1 1
2 2501 1 1 82 THR CB C 13.359 1.319 3.596 1.00 . A A . 82 THR CB 1 1
2 2502 1 1 82 THR CG2 C 14.216 2.437 3.003 1.00 . A A . 82 THR CG2 1 1
2 2503 1 1 82 THR H H 12.582 3.898 4.191 1.00 . A A . 82 THR H 1 1
2 2504 1 1 82 THR HA H 11.414 2.022 3.073 1.00 . A A . 82 THR HA 1 1
2 2505 1 1 82 THR HB H 13.239 0.533 2.864 1.00 . A A . 82 THR HB 1 1
2 2506 1 1 82 THR HG1 H 14.757 0.287 4.470 1.00 . A A . 82 THR HG1 1 1
2 2507 1 1 82 THR HG21 H 14.300 3.243 3.717 1.00 . A A . 82 THR HG21 1 1
2 2508 1 1 82 THR HG22 H 15.199 2.056 2.773 1.00 . A A . 82 THR HG22 1 1
2 2509 1 1 82 THR HG23 H 13.752 2.805 2.101 1.00 . A A . 82 THR HG23 1 1
2 2510 1 1 82 THR N N 12.145 3.178 4.673 1.00 . A A . 82 THR N 1 1
2 2511 1 1 82 THR O O 11.838 -0.160 5.230 1.00 . A A . 82 THR O 1 1
2 2512 1 1 82 THR OG1 O 13.996 0.795 4.755 1.00 . A A . 82 THR OG1 1 1
2 2513 1 1 83 SER C C 8.861 -1.080 4.990 1.00 . A A . 83 SER C 1 1
2 2514 1 1 83 SER CA C 9.266 0.088 5.899 1.00 . A A . 83 SER CA 1 1
2 2515 1 1 83 SER CB C 8.013 0.757 6.468 1.00 . A A . 83 SER CB 1 1
2 2516 1 1 83 SER H H 9.595 1.863 4.756 1.00 . A A . 83 SER H 1 1
2 2517 1 1 83 SER HA H 9.881 -0.269 6.701 1.00 . A A . 83 SER HA 1 1
2 2518 1 1 83 SER HB2 H 7.926 1.756 6.073 1.00 . A A . 83 SER HB2 1 1
2 2519 1 1 83 SER HB3 H 7.140 0.184 6.189 1.00 . A A . 83 SER HB3 1 1
2 2520 1 1 83 SER HG H 8.630 0.066 8.178 1.00 . A A . 83 SER HG 1 1
2 2521 1 1 83 SER N N 10.028 1.064 5.099 1.00 . A A . 83 SER N 1 1
2 2522 1 1 83 SER O O 8.070 -1.922 5.364 1.00 . A A . 83 SER O 1 1
2 2523 1 1 83 SER OG O 8.119 0.824 7.884 1.00 . A A . 83 SER OG 1 1
2 2524 1 1 84 ASP C C 7.606 -1.910 2.340 1.00 . A A . 84 ASP C 1 1
2 2525 1 1 84 ASP CA C 9.005 -2.219 2.851 1.00 . A A . 84 ASP CA 1 1
2 2526 1 1 84 ASP CB C 9.002 -3.553 3.600 1.00 . A A . 84 ASP CB 1 1
2 2527 1 1 84 ASP CG C 9.215 -4.698 2.609 1.00 . A A . 84 ASP CG 1 1
2 2528 1 1 84 ASP H H 10.001 -0.423 3.487 1.00 . A A . 84 ASP H 1 1
2 2529 1 1 84 ASP HA H 9.700 -2.257 2.022 1.00 . A A . 84 ASP HA 1 1
2 2530 1 1 84 ASP HB2 H 9.798 -3.556 4.329 1.00 . A A . 84 ASP HB2 1 1
2 2531 1 1 84 ASP HB3 H 8.055 -3.684 4.099 1.00 . A A . 84 ASP HB3 1 1
2 2532 1 1 84 ASP N N 9.383 -1.121 3.784 1.00 . A A . 84 ASP N 1 1
2 2533 1 1 84 ASP O O 6.686 -1.752 3.119 1.00 . A A . 84 ASP O 1 1
2 2534 1 1 84 ASP OD1 O 8.230 -5.189 2.082 1.00 . A A . 84 ASP OD1 1 1
2 2535 1 1 84 ASP OD2 O 10.358 -5.065 2.396 1.00 . A A . 84 ASP OD2 1 1
2 2536 1 1 85 CYS C C 5.170 -2.686 0.916 1.00 . A A . 85 CYS C 1 1
2 2537 1 1 85 CYS CA C 6.042 -1.486 0.595 1.00 . A A . 85 CYS CA 1 1
2 2538 1 1 85 CYS CB C 5.994 -1.137 -0.903 1.00 . A A . 85 CYS CB 1 1
2 2539 1 1 85 CYS H H 8.143 -1.928 0.425 1.00 . A A . 85 CYS H 1 1
2 2540 1 1 85 CYS HA H 5.691 -0.646 1.162 1.00 . A A . 85 CYS HA 1 1
2 2541 1 1 85 CYS HB2 H 6.703 -0.346 -1.114 1.00 . A A . 85 CYS HB2 1 1
2 2542 1 1 85 CYS HB3 H 6.231 -2.002 -1.493 1.00 . A A . 85 CYS HB3 1 1
2 2543 1 1 85 CYS HG H 3.932 -0.199 -0.534 1.00 . A A . 85 CYS HG 1 1
2 2544 1 1 85 CYS N N 7.411 -1.803 1.056 1.00 . A A . 85 CYS N 1 1
2 2545 1 1 85 CYS O O 5.640 -3.801 0.955 1.00 . A A . 85 CYS O 1 1
2 2546 1 1 85 CYS SG S 4.330 -0.565 -1.327 1.00 . A A . 85 CYS SG 1 1
2 2547 1 1 86 THR C C 1.654 -2.969 1.855 1.00 . A A . 86 THR C 1 1
2 2548 1 1 86 THR CA C 3.020 -3.572 1.563 1.00 . A A . 86 THR CA 1 1
2 2549 1 1 86 THR CB C 3.547 -4.249 2.836 1.00 . A A . 86 THR CB 1 1
2 2550 1 1 86 THR CG2 C 2.449 -5.101 3.476 1.00 . A A . 86 THR CG2 1 1
2 2551 1 1 86 THR H H 3.582 -1.545 1.181 1.00 . A A . 86 THR H 1 1
2 2552 1 1 86 THR HA H 2.954 -4.284 0.761 1.00 . A A . 86 THR HA 1 1
2 2553 1 1 86 THR HB H 3.857 -3.487 3.537 1.00 . A A . 86 THR HB 1 1
2 2554 1 1 86 THR HG1 H 5.447 -4.659 2.863 1.00 . A A . 86 THR HG1 1 1
2 2555 1 1 86 THR HG21 H 1.533 -4.534 3.532 1.00 . A A . 86 THR HG21 1 1
2 2556 1 1 86 THR HG22 H 2.288 -5.988 2.882 1.00 . A A . 86 THR HG22 1 1
2 2557 1 1 86 THR HG23 H 2.753 -5.388 4.473 1.00 . A A . 86 THR HG23 1 1
2 2558 1 1 86 THR N N 3.924 -2.460 1.192 1.00 . A A . 86 THR N 1 1
2 2559 1 1 86 THR O O 1.470 -2.326 2.868 1.00 . A A . 86 THR O 1 1
2 2560 1 1 86 THR OG1 O 4.654 -5.081 2.522 1.00 . A A . 86 THR OG1 1 1
2 2561 1 1 87 ILE C C -1.708 -3.602 1.274 1.00 . A A . 87 ILE C 1 1
2 2562 1 1 87 ILE CA C -0.621 -2.535 1.296 1.00 . A A . 87 ILE CA 1 1
2 2563 1 1 87 ILE CB C -0.908 -1.406 0.289 1.00 . A A . 87 ILE CB 1 1
2 2564 1 1 87 ILE CD1 C -0.205 0.316 1.945 1.00 . A A . 87 ILE CD1 1 1
2 2565 1 1 87 ILE CG1 C -1.358 -0.179 1.070 1.00 . A A . 87 ILE CG1 1 1
2 2566 1 1 87 ILE CG2 C -2.005 -1.803 -0.710 1.00 . A A . 87 ILE CG2 1 1
2 2567 1 1 87 ILE H H 0.839 -3.652 0.169 1.00 . A A . 87 ILE H 1 1
2 2568 1 1 87 ILE HA H -0.582 -2.109 2.289 1.00 . A A . 87 ILE HA 1 1
2 2569 1 1 87 ILE HB H -0.001 -1.170 -0.250 1.00 . A A . 87 ILE HB 1 1
2 2570 1 1 87 ILE HD11 H 0.688 0.416 1.344 1.00 . A A . 87 ILE HD11 1 1
2 2571 1 1 87 ILE HD12 H -0.460 1.273 2.374 1.00 . A A . 87 ILE HD12 1 1
2 2572 1 1 87 ILE HD13 H -0.025 -0.395 2.740 1.00 . A A . 87 ILE HD13 1 1
2 2573 1 1 87 ILE HG12 H -1.655 0.601 0.383 1.00 . A A . 87 ILE HG12 1 1
2 2574 1 1 87 ILE HG13 H -2.191 -0.448 1.697 1.00 . A A . 87 ILE HG13 1 1
2 2575 1 1 87 ILE HG21 H -1.707 -2.701 -1.235 1.00 . A A . 87 ILE HG21 1 1
2 2576 1 1 87 ILE HG22 H -2.926 -1.990 -0.178 1.00 . A A . 87 ILE HG22 1 1
2 2577 1 1 87 ILE HG23 H -2.154 -1.003 -1.420 1.00 . A A . 87 ILE HG23 1 1
2 2578 1 1 87 ILE N N 0.695 -3.140 0.998 1.00 . A A . 87 ILE N 1 1
2 2579 1 1 87 ILE O O -2.006 -4.185 0.245 1.00 . A A . 87 ILE O 1 1
2 2580 1 1 88 GLU C C -4.726 -4.170 2.184 1.00 . A A . 88 GLU C 1 1
2 2581 1 1 88 GLU CA C -3.394 -4.868 2.456 1.00 . A A . 88 GLU CA 1 1
2 2582 1 1 88 GLU CB C -3.427 -5.519 3.839 1.00 . A A . 88 GLU CB 1 1
2 2583 1 1 88 GLU CD C -2.899 -7.700 2.744 1.00 . A A . 88 GLU CD 1 1
2 2584 1 1 88 GLU CG C -3.852 -6.979 3.700 1.00 . A A . 88 GLU CG 1 1
2 2585 1 1 88 GLU H H -2.057 -3.367 3.227 1.00 . A A . 88 GLU H 1 1
2 2586 1 1 88 GLU HA H -3.219 -5.624 1.702 1.00 . A A . 88 GLU HA 1 1
2 2587 1 1 88 GLU HB2 H -2.443 -5.468 4.283 1.00 . A A . 88 GLU HB2 1 1
2 2588 1 1 88 GLU HB3 H -4.134 -4.998 4.465 1.00 . A A . 88 GLU HB3 1 1
2 2589 1 1 88 GLU HG2 H -3.822 -7.455 4.669 1.00 . A A . 88 GLU HG2 1 1
2 2590 1 1 88 GLU HG3 H -4.855 -7.024 3.306 1.00 . A A . 88 GLU HG3 1 1
2 2591 1 1 88 GLU N N -2.311 -3.855 2.409 1.00 . A A . 88 GLU N 1 1
2 2592 1 1 88 GLU O O -5.111 -3.265 2.888 1.00 . A A . 88 GLU O 1 1
2 2593 1 1 88 GLU OE1 O -1.842 -8.111 3.191 1.00 . A A . 88 GLU OE1 1 1
2 2594 1 1 88 GLU OE2 O -3.242 -7.826 1.580 1.00 . A A . 88 GLU OE2 1 1
2 2595 1 1 89 THR C C -6.459 -2.528 0.235 1.00 . A A . 89 THR C 1 1
2 2596 1 1 89 THR CA C -6.728 -3.908 0.849 1.00 . A A . 89 THR CA 1 1
2 2597 1 1 89 THR CB C -7.558 -3.763 2.130 1.00 . A A . 89 THR CB 1 1
2 2598 1 1 89 THR CG2 C -9.044 -3.907 1.794 1.00 . A A . 89 THR CG2 1 1
2 2599 1 1 89 THR H H -5.094 -5.295 0.595 1.00 . A A . 89 THR H 1 1
2 2600 1 1 89 THR HA H -7.274 -4.510 0.137 1.00 . A A . 89 THR HA 1 1
2 2601 1 1 89 THR HB H -7.389 -2.792 2.567 1.00 . A A . 89 THR HB 1 1
2 2602 1 1 89 THR HG1 H -7.054 -5.590 2.569 1.00 . A A . 89 THR HG1 1 1
2 2603 1 1 89 THR HG21 H -9.198 -3.697 0.745 1.00 . A A . 89 THR HG21 1 1
2 2604 1 1 89 THR HG22 H -9.367 -4.914 2.009 1.00 . A A . 89 THR HG22 1 1
2 2605 1 1 89 THR HG23 H -9.618 -3.210 2.387 1.00 . A A . 89 THR HG23 1 1
2 2606 1 1 89 THR N N -5.427 -4.570 1.163 1.00 . A A . 89 THR N 1 1
2 2607 1 1 89 THR O O -6.544 -2.350 -0.963 1.00 . A A . 89 THR O 1 1
2 2608 1 1 89 THR OG1 O -7.181 -4.772 3.056 1.00 . A A . 89 THR OG1 1 1
2 2609 1 1 90 HIS C C -7.189 0.475 0.116 1.00 . A A . 90 HIS C 1 1
2 2610 1 1 90 HIS CA C -5.859 -0.199 0.487 1.00 . A A . 90 HIS CA 1 1
2 2611 1 1 90 HIS CB C -4.927 -0.338 -0.740 1.00 . A A . 90 HIS CB 1 1
2 2612 1 1 90 HIS CD2 C -6.360 -0.547 -2.942 1.00 . A A . 90 HIS CD2 1 1
2 2613 1 1 90 HIS CE1 C -6.313 1.532 -3.546 1.00 . A A . 90 HIS CE1 1 1
2 2614 1 1 90 HIS CG C -5.615 0.124 -2.003 1.00 . A A . 90 HIS CG 1 1
2 2615 1 1 90 HIS H H -6.064 -1.705 2.001 1.00 . A A . 90 HIS H 1 1
2 2616 1 1 90 HIS HA H -5.365 0.395 1.242 1.00 . A A . 90 HIS HA 1 1
2 2617 1 1 90 HIS HB2 H -4.039 0.258 -0.583 1.00 . A A . 90 HIS HB2 1 1
2 2618 1 1 90 HIS HB3 H -4.637 -1.376 -0.851 1.00 . A A . 90 HIS HB3 1 1
2 2619 1 1 90 HIS HD1 H -5.148 2.189 -1.954 1.00 . A A . 90 HIS HD1 1 1
2 2620 1 1 90 HIS HD2 H -6.570 -1.606 -2.927 1.00 . A A . 90 HIS HD2 1 1
2 2621 1 1 90 HIS HE1 H -6.476 2.448 -4.095 1.00 . A A . 90 HIS HE1 1 1
2 2622 1 1 90 HIS N N -6.133 -1.551 1.039 1.00 . A A . 90 HIS N 1 1
2 2623 1 1 90 HIS ND1 N -5.598 1.448 -2.410 1.00 . A A . 90 HIS ND1 1 1
2 2624 1 1 90 HIS NE2 N -6.800 0.344 -3.915 1.00 . A A . 90 HIS NE2 1 1
2 2625 1 1 90 HIS O O -7.213 1.540 -0.467 1.00 . A A . 90 HIS O 1 1
2 2626 1 1 91 LYS C C -9.754 0.555 -1.408 1.00 . A A . 91 LYS C 1 1
2 2627 1 1 91 LYS CA C -9.611 0.463 0.113 1.00 . A A . 91 LYS CA 1 1
2 2628 1 1 91 LYS CB C -9.705 1.863 0.722 1.00 . A A . 91 LYS CB 1 1
2 2629 1 1 91 LYS CD C -10.419 1.994 3.114 1.00 . A A . 91 LYS CD 1 1
2 2630 1 1 91 LYS CE C -11.298 2.962 3.905 1.00 . A A . 91 LYS CE 1 1
2 2631 1 1 91 LYS CG C -10.908 1.929 1.666 1.00 . A A . 91 LYS CG 1 1
2 2632 1 1 91 LYS H H -8.252 -0.999 0.918 1.00 . A A . 91 LYS H 1 1
2 2633 1 1 91 LYS HA H -10.400 -0.158 0.510 1.00 . A A . 91 LYS HA 1 1
2 2634 1 1 91 LYS HB2 H -8.801 2.077 1.275 1.00 . A A . 91 LYS HB2 1 1
2 2635 1 1 91 LYS HB3 H -9.827 2.593 -0.065 1.00 . A A . 91 LYS HB3 1 1
2 2636 1 1 91 LYS HD2 H -10.476 1.010 3.556 1.00 . A A . 91 LYS HD2 1 1
2 2637 1 1 91 LYS HD3 H -9.397 2.340 3.132 1.00 . A A . 91 LYS HD3 1 1
2 2638 1 1 91 LYS HE2 H -12.338 2.765 3.689 1.00 . A A . 91 LYS HE2 1 1
2 2639 1 1 91 LYS HE3 H -11.119 2.830 4.962 1.00 . A A . 91 LYS HE3 1 1
2 2640 1 1 91 LYS HG2 H -11.493 2.810 1.443 1.00 . A A . 91 LYS HG2 1 1
2 2641 1 1 91 LYS HG3 H -11.519 1.048 1.533 1.00 . A A . 91 LYS HG3 1 1
2 2642 1 1 91 LYS HZ1 H -11.078 4.472 2.488 1.00 . A A . 91 LYS HZ1 1 1
2 2643 1 1 91 LYS HZ2 H -11.607 5.020 4.005 1.00 . A A . 91 LYS HZ2 1 1
2 2644 1 1 91 LYS HZ3 H -9.986 4.574 3.785 1.00 . A A . 91 LYS HZ3 1 1
2 2645 1 1 91 LYS N N -8.291 -0.141 0.449 1.00 . A A . 91 LYS N 1 1
2 2646 1 1 91 LYS NZ N -10.967 4.362 3.517 1.00 . A A . 91 LYS NZ 1 1
2 2647 1 1 91 LYS O O -9.410 1.550 -2.015 1.00 . A A . 91 LYS O 1 1
2 2648 1 1 92 GLU C C -11.739 0.234 -3.867 1.00 . A A . 92 GLU C 1 1
2 2649 1 1 92 GLU CA C -10.420 -0.451 -3.507 1.00 . A A . 92 GLU CA 1 1
2 2650 1 1 92 GLU CB C -10.429 -1.885 -4.043 1.00 . A A . 92 GLU CB 1 1
2 2651 1 1 92 GLU CD C -8.793 -3.304 -5.288 1.00 . A A . 92 GLU CD 1 1
2 2652 1 1 92 GLU CG C -9.004 -2.440 -4.042 1.00 . A A . 92 GLU CG 1 1
2 2653 1 1 92 GLU H H -10.524 -1.271 -1.519 1.00 . A A . 92 GLU H 1 1
2 2654 1 1 92 GLU HA H -9.599 0.094 -3.951 1.00 . A A . 92 GLU HA 1 1
2 2655 1 1 92 GLU HB2 H -11.056 -2.498 -3.412 1.00 . A A . 92 GLU HB2 1 1
2 2656 1 1 92 GLU HB3 H -10.815 -1.890 -5.051 1.00 . A A . 92 GLU HB3 1 1
2 2657 1 1 92 GLU HG2 H -8.298 -1.623 -4.048 1.00 . A A . 92 GLU HG2 1 1
2 2658 1 1 92 GLU HG3 H -8.851 -3.043 -3.159 1.00 . A A . 92 GLU HG3 1 1
2 2659 1 1 92 GLU N N -10.256 -0.477 -2.027 1.00 . A A . 92 GLU N 1 1
2 2660 1 1 92 GLU O O -12.196 0.170 -4.992 1.00 . A A . 92 GLU O 1 1
2 2661 1 1 92 GLU OE1 O -9.664 -4.109 -5.580 1.00 . A A . 92 GLU OE1 1 1
2 2662 1 1 92 GLU OE2 O -7.766 -3.149 -5.927 1.00 . A A . 92 GLU OE2 1 1
2 2663 1 1 93 GLU C C -14.680 0.530 -3.661 1.00 . A A . 93 GLU C 1 1
2 2664 1 1 93 GLU CA C -13.649 1.571 -3.220 1.00 . A A . 93 GLU CA 1 1
2 2665 1 1 93 GLU CB C -13.441 2.592 -4.343 1.00 . A A . 93 GLU CB 1 1
2 2666 1 1 93 GLU CD C -14.199 4.905 -3.779 1.00 . A A . 93 GLU CD 1 1
2 2667 1 1 93 GLU CG C -14.624 3.562 -4.378 1.00 . A A . 93 GLU CG 1 1
2 2668 1 1 93 GLU H H -11.978 0.929 -2.022 1.00 . A A . 93 GLU H 1 1
2 2669 1 1 93 GLU HA H -14.001 2.076 -2.333 1.00 . A A . 93 GLU HA 1 1
2 2670 1 1 93 GLU HB2 H -12.528 3.142 -4.165 1.00 . A A . 93 GLU HB2 1 1
2 2671 1 1 93 GLU HB3 H -13.372 2.077 -5.289 1.00 . A A . 93 GLU HB3 1 1
2 2672 1 1 93 GLU HG2 H -14.941 3.707 -5.400 1.00 . A A . 93 GLU HG2 1 1
2 2673 1 1 93 GLU HG3 H -15.441 3.156 -3.801 1.00 . A A . 93 GLU HG3 1 1
2 2674 1 1 93 GLU N N -12.358 0.887 -2.924 1.00 . A A . 93 GLU N 1 1
2 2675 1 1 93 GLU O O -15.693 0.855 -4.248 1.00 . A A . 93 GLU O 1 1
2 2676 1 1 93 GLU OE1 O -13.146 4.949 -3.163 1.00 . A A . 93 GLU OE1 1 1
2 2677 1 1 93 GLU OE2 O -14.931 5.865 -3.947 1.00 . A A . 93 GLU OE2 1 1
2 2678 1 1 94 ASP C C -15.332 -2.920 -2.759 1.00 . A A . 94 ASP C 1 1
2 2679 1 1 94 ASP CA C -15.376 -1.782 -3.782 1.00 . A A . 94 ASP CA 1 1
2 2680 1 1 94 ASP CB C -14.986 -2.317 -5.159 1.00 . A A . 94 ASP CB 1 1
2 2681 1 1 94 ASP CG C -16.047 -1.915 -6.184 1.00 . A A . 94 ASP CG 1 1
2 2682 1 1 94 ASP H H -13.612 -0.956 -2.920 1.00 . A A . 94 ASP H 1 1
2 2683 1 1 94 ASP HA H -16.362 -1.372 -3.820 1.00 . A A . 94 ASP HA 1 1
2 2684 1 1 94 ASP HB2 H -14.031 -1.901 -5.446 1.00 . A A . 94 ASP HB2 1 1
2 2685 1 1 94 ASP HB3 H -14.914 -3.392 -5.118 1.00 . A A . 94 ASP HB3 1 1
2 2686 1 1 94 ASP N N -14.425 -0.719 -3.384 1.00 . A A . 94 ASP N 1 1
2 2687 1 1 94 ASP O O -16.341 -3.512 -2.433 1.00 . A A . 94 ASP O 1 1
2 2688 1 1 94 ASP OD1 O -17.215 -2.160 -5.928 1.00 . A A . 94 ASP OD1 1 1
2 2689 1 1 94 ASP OD2 O -15.674 -1.367 -7.209 1.00 . A A . 94 ASP OD2 1 1
2 2690 1 1 95 LEU C C -14.433 -3.806 0.132 1.00 . A A . 95 LEU C 1 1
2 2691 1 1 95 LEU CA C -14.060 -4.331 -1.255 1.00 . A A . 95 LEU CA 1 1
2 2692 1 1 95 LEU CB C -12.621 -4.858 -1.236 1.00 . A A . 95 LEU CB 1 1
2 2693 1 1 95 LEU CD1 C -13.348 -6.917 -0.019 1.00 . A A . 95 LEU CD1 1 1
2 2694 1 1 95 LEU CD2 C -10.953 -6.209 0.039 1.00 . A A . 95 LEU CD2 1 1
2 2695 1 1 95 LEU CG C -12.401 -5.715 0.012 1.00 . A A . 95 LEU CG 1 1
2 2696 1 1 95 LEU H H -13.369 -2.742 -2.533 1.00 . A A . 95 LEU H 1 1
2 2697 1 1 95 LEU HA H -14.730 -5.129 -1.527 1.00 . A A . 95 LEU HA 1 1
2 2698 1 1 95 LEU HB2 H -12.446 -5.455 -2.119 1.00 . A A . 95 LEU HB2 1 1
2 2699 1 1 95 LEU HB3 H -11.936 -4.025 -1.223 1.00 . A A . 95 LEU HB3 1 1
2 2700 1 1 95 LEU HD11 H -14.335 -6.590 -0.311 1.00 . A A . 95 LEU HD11 1 1
2 2701 1 1 95 LEU HD12 H -12.985 -7.644 -0.731 1.00 . A A . 95 LEU HD12 1 1
2 2702 1 1 95 LEU HD13 H -13.394 -7.364 0.963 1.00 . A A . 95 LEU HD13 1 1
2 2703 1 1 95 LEU HD21 H -10.316 -5.483 -0.446 1.00 . A A . 95 LEU HD21 1 1
2 2704 1 1 95 LEU HD22 H -10.635 -6.338 1.064 1.00 . A A . 95 LEU HD22 1 1
2 2705 1 1 95 LEU HD23 H -10.883 -7.153 -0.480 1.00 . A A . 95 LEU HD23 1 1
2 2706 1 1 95 LEU HG H -12.599 -5.124 0.894 1.00 . A A . 95 LEU HG 1 1
2 2707 1 1 95 LEU N N -14.171 -3.231 -2.254 1.00 . A A . 95 LEU N 1 1
2 2708 1 1 95 LEU O O -15.227 -4.396 0.839 1.00 . A A . 95 LEU O 1 1
2 2709 1 1 96 TYR C C -15.674 -2.222 2.131 1.00 . A A . 96 TYR C 1 1
2 2710 1 1 96 TYR CA C -14.164 -2.145 1.870 1.00 . A A . 96 TYR CA 1 1
2 2711 1 1 96 TYR CB C -13.686 -0.689 1.929 1.00 . A A . 96 TYR CB 1 1
2 2712 1 1 96 TYR CD1 C -14.892 0.247 -0.071 1.00 . A A . 96 TYR CD1 1 1
2 2713 1 1 96 TYR CD2 C -15.476 1.063 2.134 1.00 . A A . 96 TYR CD2 1 1
2 2714 1 1 96 TYR CE1 C -15.842 1.102 -0.639 1.00 . A A . 96 TYR CE1 1 1
2 2715 1 1 96 TYR CE2 C -16.425 1.918 1.569 1.00 . A A . 96 TYR CE2 1 1
2 2716 1 1 96 TYR CG C -14.710 0.229 1.314 1.00 . A A . 96 TYR CG 1 1
2 2717 1 1 96 TYR CZ C -16.609 1.938 0.181 1.00 . A A . 96 TYR CZ 1 1
2 2718 1 1 96 TYR H H -13.217 -2.257 -0.053 1.00 . A A . 96 TYR H 1 1
2 2719 1 1 96 TYR HA H -13.645 -2.721 2.620 1.00 . A A . 96 TYR HA 1 1
2 2720 1 1 96 TYR HB2 H -13.530 -0.405 2.957 1.00 . A A . 96 TYR HB2 1 1
2 2721 1 1 96 TYR HB3 H -12.757 -0.595 1.387 1.00 . A A . 96 TYR HB3 1 1
2 2722 1 1 96 TYR HD1 H -14.299 -0.399 -0.701 1.00 . A A . 96 TYR HD1 1 1
2 2723 1 1 96 TYR HD2 H -15.333 1.046 3.205 1.00 . A A . 96 TYR HD2 1 1
2 2724 1 1 96 TYR HE1 H -15.980 1.115 -1.708 1.00 . A A . 96 TYR HE1 1 1
2 2725 1 1 96 TYR HE2 H -17.014 2.560 2.205 1.00 . A A . 96 TYR HE2 1 1
2 2726 1 1 96 TYR HH H -17.960 3.278 0.331 1.00 . A A . 96 TYR HH 1 1
2 2727 1 1 96 TYR N N -13.858 -2.708 0.529 1.00 . A A . 96 TYR N 1 1
2 2728 1 1 96 TYR O O -16.057 -2.206 3.290 1.00 . A A . 96 TYR O 1 1
2 2729 1 1 96 TYR OXT O -16.418 -2.294 1.168 1.00 . A A . 96 TYR OXT 1 1
2 2730 1 1 96 TYR OH O -17.547 2.782 -0.379 1.00 . A A . 96 TYR OH 1 1
2 2731 2 2 1 FES FE1 FE -2.688 11.403 -1.266 1.00 . B A . 97 FES FE1 1 1
2 2732 2 2 1 FES FE2 FE -1.309 8.997 -1.370 1.00 . B A . 97 FES FE2 1 1
3 2733 1 1 1 ALA C C 10.560 -10.061 -5.492 1.00 . A A . 1 ALA C 1 1
3 2734 1 1 1 ALA CA C 11.755 -10.977 -5.762 1.00 . A A . 1 ALA CA 1 1
3 2735 1 1 1 ALA CB C 12.511 -10.479 -6.995 1.00 . A A . 1 ALA CB 1 1
3 2736 1 1 1 ALA H1 H 10.324 -12.335 -6.428 1.00 . A A . 1 ALA H1 1 1
3 2737 1 1 1 ALA H2 H 11.926 -12.853 -6.650 1.00 . A A . 1 ALA H2 1 1
3 2738 1 1 1 ALA H3 H 11.228 -12.880 -5.102 1.00 . A A . 1 ALA H3 1 1
3 2739 1 1 1 ALA HA H 12.415 -10.968 -4.907 1.00 . A A . 1 ALA HA 1 1
3 2740 1 1 1 ALA HB1 H 13.308 -11.168 -7.231 1.00 . A A . 1 ALA HB1 1 1
3 2741 1 1 1 ALA HB2 H 11.832 -10.416 -7.832 1.00 . A A . 1 ALA HB2 1 1
3 2742 1 1 1 ALA HB3 H 12.926 -9.502 -6.794 1.00 . A A . 1 ALA HB3 1 1
3 2743 1 1 1 ALA N N 11.272 -12.366 -6.004 1.00 . A A . 1 ALA N 1 1
3 2744 1 1 1 ALA O O 9.445 -10.514 -5.328 1.00 . A A . 1 ALA O 1 1
3 2745 1 1 2 SER C C 8.664 -7.897 -6.341 1.00 . A A . 2 SER C 1 1
3 2746 1 1 2 SER CA C 9.658 -7.836 -5.184 1.00 . A A . 2 SER CA 1 1
3 2747 1 1 2 SER CB C 10.205 -6.417 -5.055 1.00 . A A . 2 SER CB 1 1
3 2748 1 1 2 SER H H 11.688 -8.428 -5.577 1.00 . A A . 2 SER H 1 1
3 2749 1 1 2 SER HA H 9.163 -8.118 -4.271 1.00 . A A . 2 SER HA 1 1
3 2750 1 1 2 SER HB2 H 10.240 -5.953 -6.025 1.00 . A A . 2 SER HB2 1 1
3 2751 1 1 2 SER HB3 H 9.558 -5.844 -4.407 1.00 . A A . 2 SER HB3 1 1
3 2752 1 1 2 SER HG H 12.074 -5.878 -5.030 1.00 . A A . 2 SER HG 1 1
3 2753 1 1 2 SER N N 10.782 -8.775 -5.443 1.00 . A A . 2 SER N 1 1
3 2754 1 1 2 SER O O 8.516 -8.916 -6.987 1.00 . A A . 2 SER O 1 1
3 2755 1 1 2 SER OG O 11.518 -6.466 -4.513 1.00 . A A . 2 SER OG 1 1
3 2756 1 1 3 TYR C C 6.043 -8.014 -7.620 1.00 . A A . 3 TYR C 1 1
3 2757 1 1 3 TYR CA C 7.005 -6.824 -7.739 1.00 . A A . 3 TYR CA 1 1
3 2758 1 1 3 TYR CB C 7.724 -6.876 -9.094 1.00 . A A . 3 TYR CB 1 1
3 2759 1 1 3 TYR CD1 C 9.923 -5.911 -8.345 1.00 . A A . 3 TYR CD1 1 1
3 2760 1 1 3 TYR CD2 C 9.888 -8.150 -9.270 1.00 . A A . 3 TYR CD2 1 1
3 2761 1 1 3 TYR CE1 C 11.305 -6.006 -8.158 1.00 . A A . 3 TYR CE1 1 1
3 2762 1 1 3 TYR CE2 C 11.270 -8.249 -9.083 1.00 . A A . 3 TYR CE2 1 1
3 2763 1 1 3 TYR CG C 9.216 -6.981 -8.900 1.00 . A A . 3 TYR CG 1 1
3 2764 1 1 3 TYR CZ C 11.981 -7.177 -8.526 1.00 . A A . 3 TYR CZ 1 1
3 2765 1 1 3 TYR H H 8.104 -5.987 -6.092 1.00 . A A . 3 TYR H 1 1
3 2766 1 1 3 TYR HA H 6.431 -5.919 -7.692 1.00 . A A . 3 TYR HA 1 1
3 2767 1 1 3 TYR HB2 H 7.375 -7.729 -9.654 1.00 . A A . 3 TYR HB2 1 1
3 2768 1 1 3 TYR HB3 H 7.501 -5.973 -9.639 1.00 . A A . 3 TYR HB3 1 1
3 2769 1 1 3 TYR HD1 H 9.401 -5.009 -8.061 1.00 . A A . 3 TYR HD1 1 1
3 2770 1 1 3 TYR HD2 H 9.340 -8.975 -9.700 1.00 . A A . 3 TYR HD2 1 1
3 2771 1 1 3 TYR HE1 H 11.848 -5.178 -7.727 1.00 . A A . 3 TYR HE1 1 1
3 2772 1 1 3 TYR HE2 H 11.787 -9.152 -9.367 1.00 . A A . 3 TYR HE2 1 1
3 2773 1 1 3 TYR HH H 13.772 -7.098 -9.181 1.00 . A A . 3 TYR HH 1 1
3 2774 1 1 3 TYR N N 7.980 -6.816 -6.618 1.00 . A A . 3 TYR N 1 1
3 2775 1 1 3 TYR O O 5.555 -8.501 -8.619 1.00 . A A . 3 TYR O 1 1
3 2776 1 1 3 TYR OH O 13.344 -7.274 -8.340 1.00 . A A . 3 TYR OH 1 1
3 2777 1 1 4 THR C C 4.024 -9.753 -5.050 1.00 . A A . 4 THR C 1 1
3 2778 1 1 4 THR CA C 4.798 -9.654 -6.388 1.00 . A A . 4 THR CA 1 1
3 2779 1 1 4 THR CB C 5.605 -10.934 -6.641 1.00 . A A . 4 THR CB 1 1
3 2780 1 1 4 THR CG2 C 4.919 -12.150 -6.006 1.00 . A A . 4 THR CG2 1 1
3 2781 1 1 4 THR H H 6.121 -8.139 -5.600 1.00 . A A . 4 THR H 1 1
3 2782 1 1 4 THR HA H 4.097 -9.528 -7.184 1.00 . A A . 4 THR HA 1 1
3 2783 1 1 4 THR HB H 6.590 -10.815 -6.217 1.00 . A A . 4 THR HB 1 1
3 2784 1 1 4 THR HG1 H 6.085 -12.019 -8.182 1.00 . A A . 4 THR HG1 1 1
3 2785 1 1 4 THR HG21 H 3.858 -12.110 -6.205 1.00 . A A . 4 THR HG21 1 1
3 2786 1 1 4 THR HG22 H 5.330 -13.055 -6.427 1.00 . A A . 4 THR HG22 1 1
3 2787 1 1 4 THR HG23 H 5.086 -12.141 -4.939 1.00 . A A . 4 THR HG23 1 1
3 2788 1 1 4 THR N N 5.739 -8.508 -6.430 1.00 . A A . 4 THR N 1 1
3 2789 1 1 4 THR O O 3.132 -10.550 -4.921 1.00 . A A . 4 THR O 1 1
3 2790 1 1 4 THR OG1 O 5.723 -11.141 -8.041 1.00 . A A . 4 THR OG1 1 1
3 2791 1 1 5 VAL C C 2.101 -8.775 -2.957 1.00 . A A . 5 VAL C 1 1
3 2792 1 1 5 VAL CA C 3.568 -9.145 -2.770 1.00 . A A . 5 VAL CA 1 1
3 2793 1 1 5 VAL CB C 4.143 -8.300 -1.638 1.00 . A A . 5 VAL CB 1 1
3 2794 1 1 5 VAL CG1 C 3.265 -8.463 -0.397 1.00 . A A . 5 VAL CG1 1 1
3 2795 1 1 5 VAL CG2 C 5.557 -8.774 -1.304 1.00 . A A . 5 VAL CG2 1 1
3 2796 1 1 5 VAL H H 5.039 -8.341 -4.139 1.00 . A A . 5 VAL H 1 1
3 2797 1 1 5 VAL HA H 3.625 -10.180 -2.484 1.00 . A A . 5 VAL HA 1 1
3 2798 1 1 5 VAL HB H 4.151 -7.267 -1.931 1.00 . A A . 5 VAL HB 1 1
3 2799 1 1 5 VAL HG11 H 2.359 -8.986 -0.659 1.00 . A A . 5 VAL HG11 1 1
3 2800 1 1 5 VAL HG12 H 3.802 -9.026 0.351 1.00 . A A . 5 VAL HG12 1 1
3 2801 1 1 5 VAL HG13 H 3.018 -7.491 -0.005 1.00 . A A . 5 VAL HG13 1 1
3 2802 1 1 5 VAL HG21 H 5.899 -9.459 -2.064 1.00 . A A . 5 VAL HG21 1 1
3 2803 1 1 5 VAL HG22 H 6.219 -7.925 -1.257 1.00 . A A . 5 VAL HG22 1 1
3 2804 1 1 5 VAL HG23 H 5.550 -9.275 -0.348 1.00 . A A . 5 VAL HG23 1 1
3 2805 1 1 5 VAL N N 4.331 -8.984 -4.054 1.00 . A A . 5 VAL N 1 1
3 2806 1 1 5 VAL O O 1.294 -9.612 -3.274 1.00 . A A . 5 VAL O 1 1
3 2807 1 1 6 LYS C C -0.495 -8.219 -2.089 1.00 . A A . 6 LYS C 1 1
3 2808 1 1 6 LYS CA C 0.290 -7.180 -2.894 1.00 . A A . 6 LYS CA 1 1
3 2809 1 1 6 LYS CB C -0.104 -7.236 -4.383 1.00 . A A . 6 LYS CB 1 1
3 2810 1 1 6 LYS CD C -1.891 -6.626 -6.061 1.00 . A A . 6 LYS CD 1 1
3 2811 1 1 6 LYS CE C -1.263 -5.619 -7.022 1.00 . A A . 6 LYS CE 1 1
3 2812 1 1 6 LYS CG C -1.381 -6.418 -4.622 1.00 . A A . 6 LYS CG 1 1
3 2813 1 1 6 LYS H H 2.381 -6.863 -2.462 1.00 . A A . 6 LYS H 1 1
3 2814 1 1 6 LYS HA H 0.110 -6.191 -2.495 1.00 . A A . 6 LYS HA 1 1
3 2815 1 1 6 LYS HB2 H 0.695 -6.835 -4.984 1.00 . A A . 6 LYS HB2 1 1
3 2816 1 1 6 LYS HB3 H -0.280 -8.258 -4.661 1.00 . A A . 6 LYS HB3 1 1
3 2817 1 1 6 LYS HD2 H -1.649 -7.624 -6.384 1.00 . A A . 6 LYS HD2 1 1
3 2818 1 1 6 LYS HD3 H -2.962 -6.500 -6.074 1.00 . A A . 6 LYS HD3 1 1
3 2819 1 1 6 LYS HE2 H -1.182 -4.655 -6.542 1.00 . A A . 6 LYS HE2 1 1
3 2820 1 1 6 LYS HE3 H -0.285 -5.963 -7.304 1.00 . A A . 6 LYS HE3 1 1
3 2821 1 1 6 LYS HG2 H -2.143 -6.742 -3.927 1.00 . A A . 6 LYS HG2 1 1
3 2822 1 1 6 LYS HG3 H -1.179 -5.379 -4.461 1.00 . A A . 6 LYS HG3 1 1
3 2823 1 1 6 LYS HZ1 H -3.015 -5.999 -8.082 1.00 . A A . 6 LYS HZ1 1 1
3 2824 1 1 6 LYS HZ2 H -2.304 -4.504 -8.441 1.00 . A A . 6 LYS HZ2 1 1
3 2825 1 1 6 LYS HZ3 H -1.621 -5.934 -9.050 1.00 . A A . 6 LYS HZ3 1 1
3 2826 1 1 6 LYS N N 1.730 -7.537 -2.741 1.00 . A A . 6 LYS N 1 1
3 2827 1 1 6 LYS NZ N -2.116 -5.504 -8.240 1.00 . A A . 6 LYS NZ 1 1
3 2828 1 1 6 LYS O O -0.125 -8.537 -0.977 1.00 . A A . 6 LYS O 1 1
3 2829 1 1 7 LEU C C -3.477 -10.341 -2.648 1.00 . A A . 7 LEU C 1 1
3 2830 1 1 7 LEU CA C -2.243 -9.866 -1.897 1.00 . A A . 7 LEU CA 1 1
3 2831 1 1 7 LEU CB C -2.671 -9.416 -0.513 1.00 . A A . 7 LEU CB 1 1
3 2832 1 1 7 LEU CD1 C -2.758 -11.964 -0.314 1.00 . A A . 7 LEU CD1 1 1
3 2833 1 1 7 LEU CD2 C -2.732 -10.513 1.711 1.00 . A A . 7 LEU CD2 1 1
3 2834 1 1 7 LEU CG C -3.219 -10.612 0.277 1.00 . A A . 7 LEU CG 1 1
3 2835 1 1 7 LEU H H -1.773 -8.585 -3.555 1.00 . A A . 7 LEU H 1 1
3 2836 1 1 7 LEU HA H -1.575 -10.701 -1.792 1.00 . A A . 7 LEU HA 1 1
3 2837 1 1 7 LEU HB2 H -1.836 -8.987 0.013 1.00 . A A . 7 LEU HB2 1 1
3 2838 1 1 7 LEU HB3 H -3.451 -8.688 -0.609 1.00 . A A . 7 LEU HB3 1 1
3 2839 1 1 7 LEU HD11 H -1.685 -11.959 -0.432 1.00 . A A . 7 LEU HD11 1 1
3 2840 1 1 7 LEU HD12 H -3.042 -12.763 0.351 1.00 . A A . 7 LEU HD12 1 1
3 2841 1 1 7 LEU HD13 H -3.221 -12.122 -1.275 1.00 . A A . 7 LEU HD13 1 1
3 2842 1 1 7 LEU HD21 H -2.518 -9.481 1.944 1.00 . A A . 7 LEU HD21 1 1
3 2843 1 1 7 LEU HD22 H -3.497 -10.885 2.374 1.00 . A A . 7 LEU HD22 1 1
3 2844 1 1 7 LEU HD23 H -1.835 -11.104 1.822 1.00 . A A . 7 LEU HD23 1 1
3 2845 1 1 7 LEU HG H -4.289 -10.562 0.261 1.00 . A A . 7 LEU HG 1 1
3 2846 1 1 7 LEU N N -1.517 -8.804 -2.644 1.00 . A A . 7 LEU N 1 1
3 2847 1 1 7 LEU O O -3.417 -11.361 -3.280 1.00 . A A . 7 LEU O 1 1
3 2848 1 1 8 ILE C C -7.169 -9.729 -2.669 1.00 . A A . 8 ILE C 1 1
3 2849 1 1 8 ILE CA C -5.835 -10.138 -3.304 1.00 . A A . 8 ILE CA 1 1
3 2850 1 1 8 ILE CB C -5.847 -11.680 -3.322 1.00 . A A . 8 ILE CB 1 1
3 2851 1 1 8 ILE CD1 C -7.134 -13.640 -4.170 1.00 . A A . 8 ILE CD1 1 1
3 2852 1 1 8 ILE CG1 C -7.255 -12.216 -3.640 1.00 . A A . 8 ILE CG1 1 1
3 2853 1 1 8 ILE CG2 C -5.447 -12.204 -1.949 1.00 . A A . 8 ILE CG2 1 1
3 2854 1 1 8 ILE H H -4.628 -8.818 -2.034 1.00 . A A . 8 ILE H 1 1
3 2855 1 1 8 ILE HA H -5.809 -9.781 -4.317 1.00 . A A . 8 ILE HA 1 1
3 2856 1 1 8 ILE HB H -5.153 -12.037 -4.063 1.00 . A A . 8 ILE HB 1 1
3 2857 1 1 8 ILE HD11 H -6.114 -13.820 -4.477 1.00 . A A . 8 ILE HD11 1 1
3 2858 1 1 8 ILE HD12 H -7.406 -14.336 -3.392 1.00 . A A . 8 ILE HD12 1 1
3 2859 1 1 8 ILE HD13 H -7.793 -13.765 -5.015 1.00 . A A . 8 ILE HD13 1 1
3 2860 1 1 8 ILE HG12 H -7.851 -12.217 -2.740 1.00 . A A . 8 ILE HG12 1 1
3 2861 1 1 8 ILE HG13 H -7.730 -11.594 -4.379 1.00 . A A . 8 ILE HG13 1 1
3 2862 1 1 8 ILE HG21 H -5.088 -11.387 -1.340 1.00 . A A . 8 ILE HG21 1 1
3 2863 1 1 8 ILE HG22 H -6.306 -12.653 -1.475 1.00 . A A . 8 ILE HG22 1 1
3 2864 1 1 8 ILE HG23 H -4.671 -12.943 -2.061 1.00 . A A . 8 ILE HG23 1 1
3 2865 1 1 8 ILE N N -4.600 -9.641 -2.565 1.00 . A A . 8 ILE N 1 1
3 2866 1 1 8 ILE O O -7.313 -9.637 -1.470 1.00 . A A . 8 ILE O 1 1
3 2867 1 1 9 THR C C -10.323 -8.611 -4.270 1.00 . A A . 9 THR C 1 1
3 2868 1 1 9 THR CA C -9.593 -9.358 -3.135 1.00 . A A . 9 THR CA 1 1
3 2869 1 1 9 THR CB C -9.757 -8.667 -1.776 1.00 . A A . 9 THR CB 1 1
3 2870 1 1 9 THR CG2 C -11.228 -8.280 -1.599 1.00 . A A . 9 THR CG2 1 1
3 2871 1 1 9 THR H H -7.956 -9.795 -4.496 1.00 . A A . 9 THR H 1 1
3 2872 1 1 9 THR HA H -10.067 -10.324 -3.058 1.00 . A A . 9 THR HA 1 1
3 2873 1 1 9 THR HB H -9.146 -7.795 -1.722 1.00 . A A . 9 THR HB 1 1
3 2874 1 1 9 THR HG1 H -9.229 -10.427 -1.124 1.00 . A A . 9 THR HG1 1 1
3 2875 1 1 9 THR HG21 H -11.574 -7.766 -2.485 1.00 . A A . 9 THR HG21 1 1
3 2876 1 1 9 THR HG22 H -11.817 -9.173 -1.450 1.00 . A A . 9 THR HG22 1 1
3 2877 1 1 9 THR HG23 H -11.332 -7.631 -0.743 1.00 . A A . 9 THR HG23 1 1
3 2878 1 1 9 THR N N -8.160 -9.620 -3.534 1.00 . A A . 9 THR N 1 1
3 2879 1 1 9 THR O O -10.838 -9.272 -5.152 1.00 . A A . 9 THR O 1 1
3 2880 1 1 9 THR OG1 O -9.403 -9.567 -0.733 1.00 . A A . 9 THR OG1 1 1
3 2881 1 1 10 PRO C C -10.430 -7.155 -6.665 1.00 . A A . 10 PRO C 1 1
3 2882 1 1 10 PRO CA C -11.018 -6.601 -5.380 1.00 . A A . 10 PRO CA 1 1
3 2883 1 1 10 PRO CB C -10.678 -5.119 -5.203 1.00 . A A . 10 PRO CB 1 1
3 2884 1 1 10 PRO CD C -9.749 -6.396 -3.302 1.00 . A A . 10 PRO CD 1 1
3 2885 1 1 10 PRO CG C -9.843 -4.995 -3.914 1.00 . A A . 10 PRO CG 1 1
3 2886 1 1 10 PRO HA H -12.073 -6.758 -5.323 1.00 . A A . 10 PRO HA 1 1
3 2887 1 1 10 PRO HB2 H -10.104 -4.772 -6.046 1.00 . A A . 10 PRO HB2 1 1
3 2888 1 1 10 PRO HB3 H -11.584 -4.543 -5.105 1.00 . A A . 10 PRO HB3 1 1
3 2889 1 1 10 PRO HD2 H -8.730 -6.667 -3.144 1.00 . A A . 10 PRO HD2 1 1
3 2890 1 1 10 PRO HD3 H -10.304 -6.430 -2.389 1.00 . A A . 10 PRO HD3 1 1
3 2891 1 1 10 PRO HG2 H -8.855 -4.626 -4.151 1.00 . A A . 10 PRO HG2 1 1
3 2892 1 1 10 PRO HG3 H -10.331 -4.328 -3.221 1.00 . A A . 10 PRO HG3 1 1
3 2893 1 1 10 PRO N N -10.353 -7.288 -4.288 1.00 . A A . 10 PRO N 1 1
3 2894 1 1 10 PRO O O -11.043 -7.155 -7.714 1.00 . A A . 10 PRO O 1 1
3 2895 1 1 11 ASP C C -7.941 -9.567 -7.306 1.00 . A A . 11 ASP C 1 1
3 2896 1 1 11 ASP CA C -8.535 -8.221 -7.719 1.00 . A A . 11 ASP CA 1 1
3 2897 1 1 11 ASP CB C -7.414 -7.276 -8.118 1.00 . A A . 11 ASP CB 1 1
3 2898 1 1 11 ASP CG C -7.036 -7.504 -9.582 1.00 . A A . 11 ASP CG 1 1
3 2899 1 1 11 ASP H H -8.757 -7.625 -5.702 1.00 . A A . 11 ASP H 1 1
3 2900 1 1 11 ASP HA H -9.223 -8.350 -8.540 1.00 . A A . 11 ASP HA 1 1
3 2901 1 1 11 ASP HB2 H -7.746 -6.260 -7.976 1.00 . A A . 11 ASP HB2 1 1
3 2902 1 1 11 ASP HB3 H -6.559 -7.463 -7.488 1.00 . A A . 11 ASP HB3 1 1
3 2903 1 1 11 ASP N N -9.223 -7.642 -6.562 1.00 . A A . 11 ASP N 1 1
3 2904 1 1 11 ASP O O -6.753 -9.684 -7.171 1.00 . A A . 11 ASP O 1 1
3 2905 1 1 11 ASP OD1 O -7.939 -7.660 -10.389 1.00 . A A . 11 ASP OD1 1 1
3 2906 1 1 11 ASP OD2 O -5.851 -7.520 -9.874 1.00 . A A . 11 ASP OD2 1 1
3 2907 1 1 12 GLY C C -6.808 -12.008 -6.418 1.00 . A A . 12 GLY C 1 1
3 2908 1 1 12 GLY CA C -8.324 -11.933 -6.669 1.00 . A A . 12 GLY CA 1 1
3 2909 1 1 12 GLY H H -9.739 -10.385 -7.175 1.00 . A A . 12 GLY H 1 1
3 2910 1 1 12 GLY HA2 H -8.839 -12.213 -5.763 1.00 . A A . 12 GLY HA2 1 1
3 2911 1 1 12 GLY HA3 H -8.583 -12.634 -7.449 1.00 . A A . 12 GLY HA3 1 1
3 2912 1 1 12 GLY N N -8.779 -10.554 -7.083 1.00 . A A . 12 GLY N 1 1
3 2913 1 1 12 GLY O O -6.239 -11.182 -5.744 1.00 . A A . 12 GLY O 1 1
3 2914 1 1 13 GLU C C -4.022 -11.768 -6.981 1.00 . A A . 13 GLU C 1 1
3 2915 1 1 13 GLU CA C -4.684 -13.114 -6.683 1.00 . A A . 13 GLU CA 1 1
3 2916 1 1 13 GLU CB C -4.086 -14.199 -7.581 1.00 . A A . 13 GLU CB 1 1
3 2917 1 1 13 GLU CD C -2.454 -16.066 -7.264 1.00 . A A . 13 GLU CD 1 1
3 2918 1 1 13 GLU CG C -3.738 -15.425 -6.734 1.00 . A A . 13 GLU CG 1 1
3 2919 1 1 13 GLU H H -6.612 -13.688 -7.461 1.00 . A A . 13 GLU H 1 1
3 2920 1 1 13 GLU HA H -4.518 -13.370 -5.646 1.00 . A A . 13 GLU HA 1 1
3 2921 1 1 13 GLU HB2 H -4.806 -14.475 -8.338 1.00 . A A . 13 GLU HB2 1 1
3 2922 1 1 13 GLU HB3 H -3.190 -13.825 -8.054 1.00 . A A . 13 GLU HB3 1 1
3 2923 1 1 13 GLU HG2 H -3.593 -15.122 -5.706 1.00 . A A . 13 GLU HG2 1 1
3 2924 1 1 13 GLU HG3 H -4.545 -16.139 -6.788 1.00 . A A . 13 GLU HG3 1 1
3 2925 1 1 13 GLU N N -6.148 -13.007 -6.931 1.00 . A A . 13 GLU N 1 1
3 2926 1 1 13 GLU O O -4.127 -11.246 -8.074 1.00 . A A . 13 GLU O 1 1
3 2927 1 1 13 GLU OE1 O -1.455 -15.371 -7.335 1.00 . A A . 13 GLU OE1 1 1
3 2928 1 1 13 GLU OE2 O -2.494 -17.241 -7.589 1.00 . A A . 13 GLU OE2 1 1
3 2929 1 1 14 SER C C -1.232 -9.939 -5.859 1.00 . A A . 14 SER C 1 1
3 2930 1 1 14 SER CA C -2.721 -9.862 -6.251 1.00 . A A . 14 SER CA 1 1
3 2931 1 1 14 SER CB C -3.473 -8.845 -5.398 1.00 . A A . 14 SER CB 1 1
3 2932 1 1 14 SER H H -3.299 -11.613 -5.121 1.00 . A A . 14 SER H 1 1
3 2933 1 1 14 SER HA H -2.808 -9.598 -7.295 1.00 . A A . 14 SER HA 1 1
3 2934 1 1 14 SER HB2 H -4.088 -9.366 -4.687 1.00 . A A . 14 SER HB2 1 1
3 2935 1 1 14 SER HB3 H -2.779 -8.228 -4.870 1.00 . A A . 14 SER HB3 1 1
3 2936 1 1 14 SER HG H -5.094 -7.823 -5.741 1.00 . A A . 14 SER HG 1 1
3 2937 1 1 14 SER N N -3.361 -11.187 -6.014 1.00 . A A . 14 SER N 1 1
3 2938 1 1 14 SER O O -0.887 -10.586 -4.890 1.00 . A A . 14 SER O 1 1
3 2939 1 1 14 SER OG O -4.305 -8.053 -6.237 1.00 . A A . 14 SER OG 1 1
3 2940 1 1 15 SER C C 1.994 -8.253 -6.727 1.00 . A A . 15 SER C 1 1
3 2941 1 1 15 SER CA C 1.122 -9.460 -6.265 1.00 . A A . 15 SER CA 1 1
3 2942 1 1 15 SER CB C 1.619 -10.724 -6.959 1.00 . A A . 15 SER CB 1 1
3 2943 1 1 15 SER H H -0.598 -8.841 -7.417 1.00 . A A . 15 SER H 1 1
3 2944 1 1 15 SER HA H 1.221 -9.585 -5.208 1.00 . A A . 15 SER HA 1 1
3 2945 1 1 15 SER HB2 H 0.974 -10.953 -7.792 1.00 . A A . 15 SER HB2 1 1
3 2946 1 1 15 SER HB3 H 2.617 -10.562 -7.322 1.00 . A A . 15 SER HB3 1 1
3 2947 1 1 15 SER HG H 1.945 -12.585 -6.493 1.00 . A A . 15 SER HG 1 1
3 2948 1 1 15 SER N N -0.330 -9.329 -6.617 1.00 . A A . 15 SER N 1 1
3 2949 1 1 15 SER O O 2.084 -7.963 -7.902 1.00 . A A . 15 SER O 1 1
3 2950 1 1 15 SER OG O 1.595 -11.812 -6.044 1.00 . A A . 15 SER OG 1 1
3 2951 1 1 16 ILE C C 4.806 -6.338 -5.251 1.00 . A A . 16 ILE C 1 1
3 2952 1 1 16 ILE CA C 3.575 -6.435 -6.172 1.00 . A A . 16 ILE CA 1 1
3 2953 1 1 16 ILE CB C 2.860 -5.135 -6.060 1.00 . A A . 16 ILE CB 1 1
3 2954 1 1 16 ILE CD1 C 0.866 -4.525 -4.685 1.00 . A A . 16 ILE CD1 1 1
3 2955 1 1 16 ILE CG1 C 2.255 -5.098 -4.666 1.00 . A A . 16 ILE CG1 1 1
3 2956 1 1 16 ILE CG2 C 1.841 -5.030 -7.198 1.00 . A A . 16 ILE CG2 1 1
3 2957 1 1 16 ILE H H 2.609 -7.833 -4.876 1.00 . A A . 16 ILE H 1 1
3 2958 1 1 16 ILE HA H 3.888 -6.565 -7.168 1.00 . A A . 16 ILE HA 1 1
3 2959 1 1 16 ILE HB H 3.576 -4.349 -6.152 1.00 . A A . 16 ILE HB 1 1
3 2960 1 1 16 ILE HD11 H 0.302 -5.018 -5.459 1.00 . A A . 16 ILE HD11 1 1
3 2961 1 1 16 ILE HD12 H 0.399 -4.698 -3.731 1.00 . A A . 16 ILE HD12 1 1
3 2962 1 1 16 ILE HD13 H 0.918 -3.470 -4.886 1.00 . A A . 16 ILE HD13 1 1
3 2963 1 1 16 ILE HG12 H 2.216 -6.101 -4.283 1.00 . A A . 16 ILE HG12 1 1
3 2964 1 1 16 ILE HG13 H 2.887 -4.499 -4.030 1.00 . A A . 16 ILE HG13 1 1
3 2965 1 1 16 ILE HG21 H 1.478 -6.016 -7.438 1.00 . A A . 16 ILE HG21 1 1
3 2966 1 1 16 ILE HG22 H 1.019 -4.398 -6.910 1.00 . A A . 16 ILE HG22 1 1
3 2967 1 1 16 ILE HG23 H 2.326 -4.611 -8.069 1.00 . A A . 16 ILE HG23 1 1
3 2968 1 1 16 ILE N N 2.674 -7.577 -5.799 1.00 . A A . 16 ILE N 1 1
3 2969 1 1 16 ILE O O 5.896 -6.204 -5.697 1.00 . A A . 16 ILE O 1 1
3 2970 1 1 17 GLU C C 6.595 -4.941 -3.243 1.00 . A A . 17 GLU C 1 1
3 2971 1 1 17 GLU CA C 5.876 -6.280 -3.095 1.00 . A A . 17 GLU CA 1 1
3 2972 1 1 17 GLU CB C 6.914 -7.360 -3.441 1.00 . A A . 17 GLU CB 1 1
3 2973 1 1 17 GLU CD C 8.550 -8.678 -2.086 1.00 . A A . 17 GLU CD 1 1
3 2974 1 1 17 GLU CG C 8.073 -7.270 -2.448 1.00 . A A . 17 GLU CG 1 1
3 2975 1 1 17 GLU H H 3.781 -6.473 -3.573 1.00 . A A . 17 GLU H 1 1
3 2976 1 1 17 GLU HA H 5.579 -6.406 -2.076 1.00 . A A . 17 GLU HA 1 1
3 2977 1 1 17 GLU HB2 H 6.471 -8.337 -3.379 1.00 . A A . 17 GLU HB2 1 1
3 2978 1 1 17 GLU HB3 H 7.288 -7.195 -4.440 1.00 . A A . 17 GLU HB3 1 1
3 2979 1 1 17 GLU HG2 H 8.886 -6.717 -2.893 1.00 . A A . 17 GLU HG2 1 1
3 2980 1 1 17 GLU HG3 H 7.740 -6.767 -1.554 1.00 . A A . 17 GLU HG3 1 1
3 2981 1 1 17 GLU N N 4.663 -6.378 -3.970 1.00 . A A . 17 GLU N 1 1
3 2982 1 1 17 GLU O O 7.578 -4.741 -2.572 1.00 . A A . 17 GLU O 1 1
3 2983 1 1 17 GLU OE1 O 8.157 -9.610 -2.770 1.00 . A A . 17 GLU OE1 1 1
3 2984 1 1 17 GLU OE2 O 9.300 -8.801 -1.132 1.00 . A A . 17 GLU OE2 1 1
3 2985 1 1 18 CYS C C 8.385 -2.935 -4.014 1.00 . A A . 18 CYS C 1 1
3 2986 1 1 18 CYS CA C 6.879 -2.733 -4.268 1.00 . A A . 18 CYS CA 1 1
3 2987 1 1 18 CYS CB C 6.322 -1.699 -3.295 1.00 . A A . 18 CYS CB 1 1
3 2988 1 1 18 CYS H H 5.348 -4.218 -4.643 1.00 . A A . 18 CYS H 1 1
3 2989 1 1 18 CYS HA H 6.739 -2.381 -5.278 1.00 . A A . 18 CYS HA 1 1
3 2990 1 1 18 CYS HB2 H 5.285 -1.498 -3.536 1.00 . A A . 18 CYS HB2 1 1
3 2991 1 1 18 CYS HB3 H 6.391 -2.074 -2.286 1.00 . A A . 18 CYS HB3 1 1
3 2992 1 1 18 CYS HG H 7.804 -0.074 -2.645 1.00 . A A . 18 CYS HG 1 1
3 2993 1 1 18 CYS N N 6.150 -4.039 -4.102 1.00 . A A . 18 CYS N 1 1
3 2994 1 1 18 CYS O O 9.142 -3.222 -4.921 1.00 . A A . 18 CYS O 1 1
3 2995 1 1 18 CYS SG S 7.278 -0.173 -3.442 1.00 . A A . 18 CYS SG 1 1
3 2996 1 1 19 SER C C 11.120 -2.071 -3.245 1.00 . A A . 19 SER C 1 1
3 2997 1 1 19 SER CA C 10.260 -3.050 -2.465 1.00 . A A . 19 SER CA 1 1
3 2998 1 1 19 SER CB C 10.648 -4.471 -2.868 1.00 . A A . 19 SER CB 1 1
3 2999 1 1 19 SER H H 8.184 -2.620 -2.063 1.00 . A A . 19 SER H 1 1
3 3000 1 1 19 SER HA H 10.433 -2.926 -1.409 1.00 . A A . 19 SER HA 1 1
3 3001 1 1 19 SER HB2 H 9.826 -5.139 -2.674 1.00 . A A . 19 SER HB2 1 1
3 3002 1 1 19 SER HB3 H 10.885 -4.492 -3.923 1.00 . A A . 19 SER HB3 1 1
3 3003 1 1 19 SER HG H 12.409 -4.161 -2.100 1.00 . A A . 19 SER HG 1 1
3 3004 1 1 19 SER N N 8.817 -2.824 -2.782 1.00 . A A . 19 SER N 1 1
3 3005 1 1 19 SER O O 12.239 -2.378 -3.606 1.00 . A A . 19 SER O 1 1
3 3006 1 1 19 SER OG O 11.776 -4.883 -2.107 1.00 . A A . 19 SER OG 1 1
3 3007 1 1 20 ASP C C 10.523 1.199 -4.807 1.00 . A A . 20 ASP C 1 1
3 3008 1 1 20 ASP CA C 11.422 0.081 -4.282 1.00 . A A . 20 ASP CA 1 1
3 3009 1 1 20 ASP CB C 12.053 -0.640 -5.479 1.00 . A A . 20 ASP CB 1 1
3 3010 1 1 20 ASP CG C 13.574 -0.492 -5.433 1.00 . A A . 20 ASP CG 1 1
3 3011 1 1 20 ASP H H 9.717 -0.667 -3.202 1.00 . A A . 20 ASP H 1 1
3 3012 1 1 20 ASP HA H 12.194 0.495 -3.645 1.00 . A A . 20 ASP HA 1 1
3 3013 1 1 20 ASP HB2 H 11.787 -1.691 -5.452 1.00 . A A . 20 ASP HB2 1 1
3 3014 1 1 20 ASP HB3 H 11.677 -0.209 -6.394 1.00 . A A . 20 ASP HB3 1 1
3 3015 1 1 20 ASP N N 10.616 -0.899 -3.510 1.00 . A A . 20 ASP N 1 1
3 3016 1 1 20 ASP O O 10.728 1.706 -5.891 1.00 . A A . 20 ASP O 1 1
3 3017 1 1 20 ASP OD1 O 14.044 0.341 -4.675 1.00 . A A . 20 ASP OD1 1 1
3 3018 1 1 20 ASP OD2 O 14.242 -1.211 -6.157 1.00 . A A . 20 ASP OD2 1 1
3 3019 1 1 21 ASP C C 8.061 2.263 -5.912 1.00 . A A . 21 ASP C 1 1
3 3020 1 1 21 ASP CA C 8.628 2.671 -4.548 1.00 . A A . 21 ASP CA 1 1
3 3021 1 1 21 ASP CB C 9.419 3.975 -4.682 1.00 . A A . 21 ASP CB 1 1
3 3022 1 1 21 ASP CG C 8.662 4.956 -5.581 1.00 . A A . 21 ASP CG 1 1
3 3023 1 1 21 ASP H H 9.371 1.171 -3.190 1.00 . A A . 21 ASP H 1 1
3 3024 1 1 21 ASP HA H 7.818 2.810 -3.842 1.00 . A A . 21 ASP HA 1 1
3 3025 1 1 21 ASP HB2 H 9.546 4.415 -3.705 1.00 . A A . 21 ASP HB2 1 1
3 3026 1 1 21 ASP HB3 H 10.387 3.768 -5.112 1.00 . A A . 21 ASP HB3 1 1
3 3027 1 1 21 ASP N N 9.528 1.589 -4.062 1.00 . A A . 21 ASP N 1 1
3 3028 1 1 21 ASP O O 8.740 2.303 -6.919 1.00 . A A . 21 ASP O 1 1
3 3029 1 1 21 ASP OD1 O 8.785 4.836 -6.790 1.00 . A A . 21 ASP OD1 1 1
3 3030 1 1 21 ASP OD2 O 7.970 5.807 -5.047 1.00 . A A . 21 ASP OD2 1 1
3 3031 1 1 22 THR C C 4.741 1.075 -6.970 1.00 . A A . 22 THR C 1 1
3 3032 1 1 22 THR CA C 6.196 1.472 -7.234 1.00 . A A . 22 THR CA 1 1
3 3033 1 1 22 THR CB C 6.967 0.295 -7.843 1.00 . A A . 22 THR CB 1 1
3 3034 1 1 22 THR CG2 C 7.903 0.811 -8.937 1.00 . A A . 22 THR CG2 1 1
3 3035 1 1 22 THR H H 6.296 1.866 -5.130 1.00 . A A . 22 THR H 1 1
3 3036 1 1 22 THR HA H 6.218 2.307 -7.911 1.00 . A A . 22 THR HA 1 1
3 3037 1 1 22 THR HB H 6.273 -0.408 -8.274 1.00 . A A . 22 THR HB 1 1
3 3038 1 1 22 THR HG1 H 7.131 -0.879 -6.302 1.00 . A A . 22 THR HG1 1 1
3 3039 1 1 22 THR HG21 H 7.530 1.751 -9.316 1.00 . A A . 22 THR HG21 1 1
3 3040 1 1 22 THR HG22 H 8.891 0.954 -8.528 1.00 . A A . 22 THR HG22 1 1
3 3041 1 1 22 THR HG23 H 7.947 0.091 -9.741 1.00 . A A . 22 THR HG23 1 1
3 3042 1 1 22 THR N N 6.821 1.879 -5.949 1.00 . A A . 22 THR N 1 1
3 3043 1 1 22 THR O O 3.890 1.932 -6.865 1.00 . A A . 22 THR O 1 1
3 3044 1 1 22 THR OG1 O 7.729 -0.348 -6.830 1.00 . A A . 22 THR OG1 1 1
3 3045 1 1 23 TYR C C 2.036 0.358 -7.009 1.00 . A A . 23 TYR C 1 1
3 3046 1 1 23 TYR CA C 3.064 -0.684 -6.542 1.00 . A A . 23 TYR CA 1 1
3 3047 1 1 23 TYR CB C 2.923 -0.895 -5.032 1.00 . A A . 23 TYR CB 1 1
3 3048 1 1 23 TYR CD1 C 4.324 1.022 -4.233 1.00 . A A . 23 TYR CD1 1 1
3 3049 1 1 23 TYR CD2 C 1.937 1.108 -3.846 1.00 . A A . 23 TYR CD2 1 1
3 3050 1 1 23 TYR CE1 C 4.470 2.270 -3.627 1.00 . A A . 23 TYR CE1 1 1
3 3051 1 1 23 TYR CE2 C 2.082 2.357 -3.231 1.00 . A A . 23 TYR CE2 1 1
3 3052 1 1 23 TYR CG C 3.063 0.441 -4.345 1.00 . A A . 23 TYR CG 1 1
3 3053 1 1 23 TYR CZ C 3.350 2.940 -3.123 1.00 . A A . 23 TYR CZ 1 1
3 3054 1 1 23 TYR H H 5.184 -0.871 -6.886 1.00 . A A . 23 TYR H 1 1
3 3055 1 1 23 TYR HA H 2.888 -1.618 -7.052 1.00 . A A . 23 TYR HA 1 1
3 3056 1 1 23 TYR HB2 H 1.963 -1.326 -4.811 1.00 . A A . 23 TYR HB2 1 1
3 3057 1 1 23 TYR HB3 H 3.705 -1.558 -4.688 1.00 . A A . 23 TYR HB3 1 1
3 3058 1 1 23 TYR HD1 H 5.187 0.506 -4.619 1.00 . A A . 23 TYR HD1 1 1
3 3059 1 1 23 TYR HD2 H 0.961 0.659 -3.928 1.00 . A A . 23 TYR HD2 1 1
3 3060 1 1 23 TYR HE1 H 5.448 2.717 -3.543 1.00 . A A . 23 TYR HE1 1 1
3 3061 1 1 23 TYR HE2 H 1.216 2.872 -2.843 1.00 . A A . 23 TYR HE2 1 1
3 3062 1 1 23 TYR HH H 4.177 4.655 -3.003 1.00 . A A . 23 TYR HH 1 1
3 3063 1 1 23 TYR N N 4.462 -0.211 -6.829 1.00 . A A . 23 TYR N 1 1
3 3064 1 1 23 TYR O O 1.129 0.712 -6.289 1.00 . A A . 23 TYR O 1 1
3 3065 1 1 23 TYR OH O 3.496 4.174 -2.527 1.00 . A A . 23 TYR OH 1 1
3 3066 1 1 24 ILE C C -0.204 1.407 -8.661 1.00 . A A . 24 ILE C 1 1
3 3067 1 1 24 ILE CA C 1.244 1.912 -8.703 1.00 . A A . 24 ILE CA 1 1
3 3068 1 1 24 ILE CB C 1.624 2.277 -10.140 1.00 . A A . 24 ILE CB 1 1
3 3069 1 1 24 ILE CD1 C 1.643 1.482 -12.510 1.00 . A A . 24 ILE CD1 1 1
3 3070 1 1 24 ILE CG1 C 1.371 1.079 -11.060 1.00 . A A . 24 ILE CG1 1 1
3 3071 1 1 24 ILE CG2 C 3.105 2.652 -10.195 1.00 . A A . 24 ILE CG2 1 1
3 3072 1 1 24 ILE H H 2.943 0.584 -8.759 1.00 . A A . 24 ILE H 1 1
3 3073 1 1 24 ILE HA H 1.326 2.793 -8.081 1.00 . A A . 24 ILE HA 1 1
3 3074 1 1 24 ILE HB H 1.029 3.118 -10.467 1.00 . A A . 24 ILE HB 1 1
3 3075 1 1 24 ILE HD11 H 1.528 2.551 -12.614 1.00 . A A . 24 ILE HD11 1 1
3 3076 1 1 24 ILE HD12 H 2.650 1.201 -12.780 1.00 . A A . 24 ILE HD12 1 1
3 3077 1 1 24 ILE HD13 H 0.942 0.981 -13.162 1.00 . A A . 24 ILE HD13 1 1
3 3078 1 1 24 ILE HG12 H 2.028 0.268 -10.782 1.00 . A A . 24 ILE HG12 1 1
3 3079 1 1 24 ILE HG13 H 0.345 0.759 -10.964 1.00 . A A . 24 ILE HG13 1 1
3 3080 1 1 24 ILE HG21 H 3.554 2.485 -9.227 1.00 . A A . 24 ILE HG21 1 1
3 3081 1 1 24 ILE HG22 H 3.603 2.041 -10.934 1.00 . A A . 24 ILE HG22 1 1
3 3082 1 1 24 ILE HG23 H 3.203 3.693 -10.463 1.00 . A A . 24 ILE HG23 1 1
3 3083 1 1 24 ILE N N 2.190 0.870 -8.199 1.00 . A A . 24 ILE N 1 1
3 3084 1 1 24 ILE O O -0.595 0.666 -7.778 1.00 . A A . 24 ILE O 1 1
3 3085 1 1 25 LEU C C -2.561 -0.078 -9.209 1.00 . A A . 25 LEU C 1 1
3 3086 1 1 25 LEU CA C -2.436 1.390 -9.626 1.00 . A A . 25 LEU CA 1 1
3 3087 1 1 25 LEU CB C -3.000 1.567 -11.038 1.00 . A A . 25 LEU CB 1 1
3 3088 1 1 25 LEU CD1 C -3.653 3.974 -11.175 1.00 . A A . 25 LEU CD1 1 1
3 3089 1 1 25 LEU CD2 C -5.153 2.217 -12.128 1.00 . A A . 25 LEU CD2 1 1
3 3090 1 1 25 LEU CG C -4.174 2.547 -10.998 1.00 . A A . 25 LEU CG 1 1
3 3091 1 1 25 LEU H H -0.678 2.426 -10.296 1.00 . A A . 25 LEU H 1 1
3 3092 1 1 25 LEU HA H -3.000 2.006 -8.937 1.00 . A A . 25 LEU HA 1 1
3 3093 1 1 25 LEU HB2 H -2.228 1.954 -11.688 1.00 . A A . 25 LEU HB2 1 1
3 3094 1 1 25 LEU HB3 H -3.341 0.613 -11.412 1.00 . A A . 25 LEU HB3 1 1
3 3095 1 1 25 LEU HD11 H -2.692 3.948 -11.669 1.00 . A A . 25 LEU HD11 1 1
3 3096 1 1 25 LEU HD12 H -4.350 4.540 -11.776 1.00 . A A . 25 LEU HD12 1 1
3 3097 1 1 25 LEU HD13 H -3.549 4.442 -10.208 1.00 . A A . 25 LEU HD13 1 1
3 3098 1 1 25 LEU HD21 H -4.829 1.322 -12.637 1.00 . A A . 25 LEU HD21 1 1
3 3099 1 1 25 LEU HD22 H -6.139 2.059 -11.716 1.00 . A A . 25 LEU HD22 1 1
3 3100 1 1 25 LEU HD23 H -5.185 3.040 -12.828 1.00 . A A . 25 LEU HD23 1 1
3 3101 1 1 25 LEU HG H -4.679 2.464 -10.047 1.00 . A A . 25 LEU HG 1 1
3 3102 1 1 25 LEU N N -1.009 1.819 -9.605 1.00 . A A . 25 LEU N 1 1
3 3103 1 1 25 LEU O O -3.585 -0.492 -8.717 1.00 . A A . 25 LEU O 1 1
3 3104 1 1 26 ASP C C -1.926 -2.412 -7.510 1.00 . A A . 26 ASP C 1 1
3 3105 1 1 26 ASP CA C -1.611 -2.305 -9.007 1.00 . A A . 26 ASP CA 1 1
3 3106 1 1 26 ASP CB C -0.267 -2.969 -9.298 1.00 . A A . 26 ASP CB 1 1
3 3107 1 1 26 ASP CG C -0.142 -3.231 -10.798 1.00 . A A . 26 ASP CG 1 1
3 3108 1 1 26 ASP H H -0.716 -0.523 -9.804 1.00 . A A . 26 ASP H 1 1
3 3109 1 1 26 ASP HA H -2.387 -2.796 -9.576 1.00 . A A . 26 ASP HA 1 1
3 3110 1 1 26 ASP HB2 H 0.532 -2.317 -8.977 1.00 . A A . 26 ASP HB2 1 1
3 3111 1 1 26 ASP HB3 H -0.205 -3.902 -8.765 1.00 . A A . 26 ASP HB3 1 1
3 3112 1 1 26 ASP N N -1.536 -0.869 -9.401 1.00 . A A . 26 ASP N 1 1
3 3113 1 1 26 ASP O O -2.943 -2.968 -7.101 1.00 . A A . 26 ASP O 1 1
3 3114 1 1 26 ASP OD1 O 0.085 -2.280 -11.528 1.00 . A A . 26 ASP OD1 1 1
3 3115 1 1 26 ASP OD2 O -0.278 -4.376 -11.193 1.00 . A A . 26 ASP OD2 1 1
3 3116 1 1 27 ALA C C -2.796 -1.349 -5.039 1.00 . A A . 27 ALA C 1 1
3 3117 1 1 27 ALA CA C -1.392 -1.952 -5.229 1.00 . A A . 27 ALA CA 1 1
3 3118 1 1 27 ALA CB C -0.321 -1.214 -4.417 1.00 . A A . 27 ALA CB 1 1
3 3119 1 1 27 ALA H H -0.275 -1.405 -6.986 1.00 . A A . 27 ALA H 1 1
3 3120 1 1 27 ALA HA H -1.406 -2.990 -4.937 1.00 . A A . 27 ALA HA 1 1
3 3121 1 1 27 ALA HB1 H 0.282 -0.622 -5.080 1.00 . A A . 27 ALA HB1 1 1
3 3122 1 1 27 ALA HB2 H -0.785 -0.579 -3.683 1.00 . A A . 27 ALA HB2 1 1
3 3123 1 1 27 ALA HB3 H 0.314 -1.938 -3.918 1.00 . A A . 27 ALA HB3 1 1
3 3124 1 1 27 ALA N N -1.083 -1.871 -6.670 1.00 . A A . 27 ALA N 1 1
3 3125 1 1 27 ALA O O -3.483 -1.607 -4.069 1.00 . A A . 27 ALA O 1 1
3 3126 1 1 28 ALA C C -5.618 -1.111 -6.227 1.00 . A A . 28 ALA C 1 1
3 3127 1 1 28 ALA CA C -4.612 0.002 -5.918 1.00 . A A . 28 ALA CA 1 1
3 3128 1 1 28 ALA CB C -4.761 1.136 -6.933 1.00 . A A . 28 ALA CB 1 1
3 3129 1 1 28 ALA H H -2.699 -0.394 -6.783 1.00 . A A . 28 ALA H 1 1
3 3130 1 1 28 ALA HA H -4.778 0.370 -4.928 1.00 . A A . 28 ALA HA 1 1
3 3131 1 1 28 ALA HB1 H -3.801 1.348 -7.379 1.00 . A A . 28 ALA HB1 1 1
3 3132 1 1 28 ALA HB2 H -5.459 0.841 -7.703 1.00 . A A . 28 ALA HB2 1 1
3 3133 1 1 28 ALA HB3 H -5.129 2.021 -6.433 1.00 . A A . 28 ALA HB3 1 1
3 3134 1 1 28 ALA N N -3.247 -0.573 -6.000 1.00 . A A . 28 ALA N 1 1
3 3135 1 1 28 ALA O O -6.673 -1.196 -5.633 1.00 . A A . 28 ALA O 1 1
3 3136 1 1 29 GLU C C -6.730 -3.682 -6.178 1.00 . A A . 29 GLU C 1 1
3 3137 1 1 29 GLU CA C -6.186 -3.117 -7.478 1.00 . A A . 29 GLU CA 1 1
3 3138 1 1 29 GLU CB C -5.390 -4.219 -8.185 1.00 . A A . 29 GLU CB 1 1
3 3139 1 1 29 GLU CD C -6.245 -3.973 -10.521 1.00 . A A . 29 GLU CD 1 1
3 3140 1 1 29 GLU CG C -5.036 -3.774 -9.605 1.00 . A A . 29 GLU CG 1 1
3 3141 1 1 29 GLU H H -4.431 -1.898 -7.598 1.00 . A A . 29 GLU H 1 1
3 3142 1 1 29 GLU HA H -6.995 -2.779 -8.108 1.00 . A A . 29 GLU HA 1 1
3 3143 1 1 29 GLU HB2 H -4.483 -4.418 -7.628 1.00 . A A . 29 GLU HB2 1 1
3 3144 1 1 29 GLU HB3 H -5.985 -5.121 -8.226 1.00 . A A . 29 GLU HB3 1 1
3 3145 1 1 29 GLU HG2 H -4.757 -2.730 -9.597 1.00 . A A . 29 GLU HG2 1 1
3 3146 1 1 29 GLU HG3 H -4.208 -4.365 -9.972 1.00 . A A . 29 GLU HG3 1 1
3 3147 1 1 29 GLU N N -5.282 -1.983 -7.144 1.00 . A A . 29 GLU N 1 1
3 3148 1 1 29 GLU O O -7.824 -4.208 -6.118 1.00 . A A . 29 GLU O 1 1
3 3149 1 1 29 GLU OE1 O -7.294 -4.335 -10.015 1.00 . A A . 29 GLU OE1 1 1
3 3150 1 1 29 GLU OE2 O -6.101 -3.759 -11.713 1.00 . A A . 29 GLU OE2 1 1
3 3151 1 1 30 GLU C C -7.299 -3.041 -3.161 1.00 . A A . 30 GLU C 1 1
3 3152 1 1 30 GLU CA C -6.435 -4.091 -3.821 1.00 . A A . 30 GLU CA 1 1
3 3153 1 1 30 GLU CB C -5.257 -4.377 -2.918 1.00 . A A . 30 GLU CB 1 1
3 3154 1 1 30 GLU CD C -3.152 -4.321 -4.182 1.00 . A A . 30 GLU CD 1 1
3 3155 1 1 30 GLU CG C -4.245 -5.228 -3.664 1.00 . A A . 30 GLU CG 1 1
3 3156 1 1 30 GLU H H -5.088 -3.130 -5.203 1.00 . A A . 30 GLU H 1 1
3 3157 1 1 30 GLU HA H -6.999 -4.987 -3.980 1.00 . A A . 30 GLU HA 1 1
3 3158 1 1 30 GLU HB2 H -4.799 -3.443 -2.629 1.00 . A A . 30 GLU HB2 1 1
3 3159 1 1 30 GLU HB3 H -5.593 -4.900 -2.039 1.00 . A A . 30 GLU HB3 1 1
3 3160 1 1 30 GLU HG2 H -3.820 -5.961 -2.996 1.00 . A A . 30 GLU HG2 1 1
3 3161 1 1 30 GLU HG3 H -4.726 -5.722 -4.493 1.00 . A A . 30 GLU HG3 1 1
3 3162 1 1 30 GLU N N -5.965 -3.569 -5.129 1.00 . A A . 30 GLU N 1 1
3 3163 1 1 30 GLU O O -8.335 -3.326 -2.592 1.00 . A A . 30 GLU O 1 1
3 3164 1 1 30 GLU OE1 O -2.596 -3.589 -3.386 1.00 . A A . 30 GLU OE1 1 1
3 3165 1 1 30 GLU OE2 O -2.878 -4.383 -5.361 1.00 . A A . 30 GLU OE2 1 1
3 3166 1 1 31 ALA C C -9.129 -0.934 -2.986 1.00 . A A . 31 ALA C 1 1
3 3167 1 1 31 ALA CA C -7.652 -0.706 -2.675 1.00 . A A . 31 ALA CA 1 1
3 3168 1 1 31 ALA CB C -7.170 0.586 -3.322 1.00 . A A . 31 ALA CB 1 1
3 3169 1 1 31 ALA H H -6.049 -1.624 -3.736 1.00 . A A . 31 ALA H 1 1
3 3170 1 1 31 ALA HA H -7.495 -0.668 -1.609 1.00 . A A . 31 ALA HA 1 1
3 3171 1 1 31 ALA HB1 H -7.040 0.423 -4.384 1.00 . A A . 31 ALA HB1 1 1
3 3172 1 1 31 ALA HB2 H -7.895 1.362 -3.163 1.00 . A A . 31 ALA HB2 1 1
3 3173 1 1 31 ALA HB3 H -6.224 0.872 -2.886 1.00 . A A . 31 ALA HB3 1 1
3 3174 1 1 31 ALA N N -6.879 -1.817 -3.258 1.00 . A A . 31 ALA N 1 1
3 3175 1 1 31 ALA O O -10.009 -0.489 -2.276 1.00 . A A . 31 ALA O 1 1
3 3176 1 1 32 GLY C C -10.961 -1.524 -5.908 1.00 . A A . 32 GLY C 1 1
3 3177 1 1 32 GLY CA C -10.794 -1.918 -4.449 1.00 . A A . 32 GLY CA 1 1
3 3178 1 1 32 GLY H H -8.659 -1.972 -4.607 1.00 . A A . 32 GLY H 1 1
3 3179 1 1 32 GLY HA2 H -11.000 -2.970 -4.325 1.00 . A A . 32 GLY HA2 1 1
3 3180 1 1 32 GLY HA3 H -11.470 -1.338 -3.839 1.00 . A A . 32 GLY HA3 1 1
3 3181 1 1 32 GLY N N -9.393 -1.634 -4.054 1.00 . A A . 32 GLY N 1 1
3 3182 1 1 32 GLY O O -11.964 -0.954 -6.282 1.00 . A A . 32 GLY O 1 1
3 3183 1 1 33 LEU C C -10.740 -0.144 -8.324 1.00 . A A . 33 LEU C 1 1
3 3184 1 1 33 LEU CA C -9.980 -1.452 -8.158 1.00 . A A . 33 LEU CA 1 1
3 3185 1 1 33 LEU CB C -10.626 -2.587 -8.935 1.00 . A A . 33 LEU CB 1 1
3 3186 1 1 33 LEU CD1 C -12.956 -3.052 -9.679 1.00 . A A . 33 LEU CD1 1 1
3 3187 1 1 33 LEU CD2 C -12.139 -3.944 -7.498 1.00 . A A . 33 LEU CD2 1 1
3 3188 1 1 33 LEU CG C -12.063 -2.767 -8.473 1.00 . A A . 33 LEU CG 1 1
3 3189 1 1 33 LEU H H -9.177 -2.247 -6.376 1.00 . A A . 33 LEU H 1 1
3 3190 1 1 33 LEU HA H -8.965 -1.316 -8.504 1.00 . A A . 33 LEU HA 1 1
3 3191 1 1 33 LEU HB2 H -10.602 -2.349 -9.972 1.00 . A A . 33 LEU HB2 1 1
3 3192 1 1 33 LEU HB3 H -10.077 -3.499 -8.762 1.00 . A A . 33 LEU HB3 1 1
3 3193 1 1 33 LEU HD11 H -12.556 -2.554 -10.549 1.00 . A A . 33 LEU HD11 1 1
3 3194 1 1 33 LEU HD12 H -12.989 -4.117 -9.858 1.00 . A A . 33 LEU HD12 1 1
3 3195 1 1 33 LEU HD13 H -13.954 -2.689 -9.482 1.00 . A A . 33 LEU HD13 1 1
3 3196 1 1 33 LEU HD21 H -11.202 -4.481 -7.508 1.00 . A A . 33 LEU HD21 1 1
3 3197 1 1 33 LEU HD22 H -12.332 -3.575 -6.502 1.00 . A A . 33 LEU HD22 1 1
3 3198 1 1 33 LEU HD23 H -12.936 -4.608 -7.796 1.00 . A A . 33 LEU HD23 1 1
3 3199 1 1 33 LEU HG H -12.385 -1.866 -7.980 1.00 . A A . 33 LEU HG 1 1
3 3200 1 1 33 LEU N N -9.956 -1.808 -6.722 1.00 . A A . 33 LEU N 1 1
3 3201 1 1 33 LEU O O -11.436 0.091 -9.291 1.00 . A A . 33 LEU O 1 1
3 3202 1 1 34 ASP C C -10.226 3.116 -7.317 1.00 . A A . 34 ASP C 1 1
3 3203 1 1 34 ASP CA C -11.281 1.997 -7.321 1.00 . A A . 34 ASP CA 1 1
3 3204 1 1 34 ASP CB C -12.141 2.052 -6.059 1.00 . A A . 34 ASP CB 1 1
3 3205 1 1 34 ASP CG C -13.137 3.209 -6.158 1.00 . A A . 34 ASP CG 1 1
3 3206 1 1 34 ASP H H -10.049 0.444 -6.587 1.00 . A A . 34 ASP H 1 1
3 3207 1 1 34 ASP HA H -11.901 2.082 -8.188 1.00 . A A . 34 ASP HA 1 1
3 3208 1 1 34 ASP HB2 H -12.673 1.119 -5.957 1.00 . A A . 34 ASP HB2 1 1
3 3209 1 1 34 ASP HB3 H -11.507 2.191 -5.195 1.00 . A A . 34 ASP HB3 1 1
3 3210 1 1 34 ASP N N -10.600 0.693 -7.340 1.00 . A A . 34 ASP N 1 1
3 3211 1 1 34 ASP O O -9.482 3.268 -8.265 1.00 . A A . 34 ASP O 1 1
3 3212 1 1 34 ASP OD1 O -13.012 3.994 -7.083 1.00 . A A . 34 ASP OD1 1 1
3 3213 1 1 34 ASP OD2 O -14.007 3.290 -5.306 1.00 . A A . 34 ASP OD2 1 1
3 3214 1 1 35 LEU C C -9.225 5.757 -4.916 1.00 . A A . 35 LEU C 1 1
3 3215 1 1 35 LEU CA C -9.121 4.980 -6.235 1.00 . A A . 35 LEU CA 1 1
3 3216 1 1 35 LEU CB C -9.346 5.926 -7.416 1.00 . A A . 35 LEU CB 1 1
3 3217 1 1 35 LEU CD1 C -9.148 5.451 -9.859 1.00 . A A . 35 LEU CD1 1 1
3 3218 1 1 35 LEU CD2 C -7.323 6.675 -8.675 1.00 . A A . 35 LEU CD2 1 1
3 3219 1 1 35 LEU CG C -8.377 5.573 -8.545 1.00 . A A . 35 LEU CG 1 1
3 3220 1 1 35 LEU H H -10.736 3.771 -5.504 1.00 . A A . 35 LEU H 1 1
3 3221 1 1 35 LEU HA H -8.137 4.543 -6.312 1.00 . A A . 35 LEU HA 1 1
3 3222 1 1 35 LEU HB2 H -10.362 5.823 -7.770 1.00 . A A . 35 LEU HB2 1 1
3 3223 1 1 35 LEU HB3 H -9.174 6.944 -7.101 1.00 . A A . 35 LEU HB3 1 1
3 3224 1 1 35 LEU HD11 H -10.106 5.939 -9.760 1.00 . A A . 35 LEU HD11 1 1
3 3225 1 1 35 LEU HD12 H -8.585 5.919 -10.652 1.00 . A A . 35 LEU HD12 1 1
3 3226 1 1 35 LEU HD13 H -9.298 4.407 -10.093 1.00 . A A . 35 LEU HD13 1 1
3 3227 1 1 35 LEU HD21 H -7.699 7.585 -8.232 1.00 . A A . 35 LEU HD21 1 1
3 3228 1 1 35 LEU HD22 H -6.420 6.372 -8.167 1.00 . A A . 35 LEU HD22 1 1
3 3229 1 1 35 LEU HD23 H -7.109 6.845 -9.719 1.00 . A A . 35 LEU HD23 1 1
3 3230 1 1 35 LEU HG H -7.892 4.633 -8.322 1.00 . A A . 35 LEU HG 1 1
3 3231 1 1 35 LEU N N -10.141 3.896 -6.266 1.00 . A A . 35 LEU N 1 1
3 3232 1 1 35 LEU O O -8.288 5.782 -4.143 1.00 . A A . 35 LEU O 1 1
3 3233 1 1 36 PRO C C -10.293 6.341 -2.212 1.00 . A A . 36 PRO C 1 1
3 3234 1 1 36 PRO CA C -10.600 7.162 -3.470 1.00 . A A . 36 PRO CA 1 1
3 3235 1 1 36 PRO CB C -12.088 7.533 -3.528 1.00 . A A . 36 PRO CB 1 1
3 3236 1 1 36 PRO CD C -11.502 6.319 -5.625 1.00 . A A . 36 PRO CD 1 1
3 3237 1 1 36 PRO CG C -12.651 7.010 -4.875 1.00 . A A . 36 PRO CG 1 1
3 3238 1 1 36 PRO HA H -10.003 8.059 -3.484 1.00 . A A . 36 PRO HA 1 1
3 3239 1 1 36 PRO HB2 H -12.611 7.069 -2.704 1.00 . A A . 36 PRO HB2 1 1
3 3240 1 1 36 PRO HB3 H -12.202 8.604 -3.480 1.00 . A A . 36 PRO HB3 1 1
3 3241 1 1 36 PRO HD2 H -11.765 5.296 -5.853 1.00 . A A . 36 PRO HD2 1 1
3 3242 1 1 36 PRO HD3 H -11.270 6.860 -6.528 1.00 . A A . 36 PRO HD3 1 1
3 3243 1 1 36 PRO HG2 H -13.447 6.303 -4.688 1.00 . A A . 36 PRO HG2 1 1
3 3244 1 1 36 PRO HG3 H -13.024 7.835 -5.463 1.00 . A A . 36 PRO HG3 1 1
3 3245 1 1 36 PRO N N -10.362 6.370 -4.692 1.00 . A A . 36 PRO N 1 1
3 3246 1 1 36 PRO O O -9.603 5.341 -2.263 1.00 . A A . 36 PRO O 1 1
3 3247 1 1 37 TYR C C -9.076 6.179 0.594 1.00 . A A . 37 TYR C 1 1
3 3248 1 1 37 TYR CA C -10.549 6.034 0.191 1.00 . A A . 37 TYR CA 1 1
3 3249 1 1 37 TYR CB C -10.899 4.554 0.014 1.00 . A A . 37 TYR CB 1 1
3 3250 1 1 37 TYR CD1 C -12.405 4.135 1.992 1.00 . A A . 37 TYR CD1 1 1
3 3251 1 1 37 TYR CD2 C -13.383 4.194 -0.226 1.00 . A A . 37 TYR CD2 1 1
3 3252 1 1 37 TYR CE1 C -13.669 3.887 2.542 1.00 . A A . 37 TYR CE1 1 1
3 3253 1 1 37 TYR CE2 C -14.646 3.946 0.325 1.00 . A A . 37 TYR CE2 1 1
3 3254 1 1 37 TYR CG C -12.262 4.287 0.608 1.00 . A A . 37 TYR CG 1 1
3 3255 1 1 37 TYR CZ C -14.789 3.793 1.709 1.00 . A A . 37 TYR CZ 1 1
3 3256 1 1 37 TYR H H -11.347 7.581 -1.076 1.00 . A A . 37 TYR H 1 1
3 3257 1 1 37 TYR HA H -11.171 6.455 0.968 1.00 . A A . 37 TYR HA 1 1
3 3258 1 1 37 TYR HB2 H -10.910 4.308 -1.036 1.00 . A A . 37 TYR HB2 1 1
3 3259 1 1 37 TYR HB3 H -10.163 3.947 0.519 1.00 . A A . 37 TYR HB3 1 1
3 3260 1 1 37 TYR HD1 H -11.540 4.207 2.635 1.00 . A A . 37 TYR HD1 1 1
3 3261 1 1 37 TYR HD2 H -13.273 4.313 -1.293 1.00 . A A . 37 TYR HD2 1 1
3 3262 1 1 37 TYR HE1 H -13.779 3.769 3.611 1.00 . A A . 37 TYR HE1 1 1
3 3263 1 1 37 TYR HE2 H -15.510 3.874 -0.319 1.00 . A A . 37 TYR HE2 1 1
3 3264 1 1 37 TYR HH H -15.926 2.950 2.992 1.00 . A A . 37 TYR HH 1 1
3 3265 1 1 37 TYR N N -10.800 6.768 -1.084 1.00 . A A . 37 TYR N 1 1
3 3266 1 1 37 TYR O O -8.405 5.211 0.891 1.00 . A A . 37 TYR O 1 1
3 3267 1 1 37 TYR OH O -16.036 3.550 2.250 1.00 . A A . 37 TYR OH 1 1
3 3268 1 1 38 SER C C -6.968 9.100 1.341 1.00 . A A . 38 SER C 1 1
3 3269 1 1 38 SER CA C -7.154 7.612 1.004 1.00 . A A . 38 SER CA 1 1
3 3270 1 1 38 SER CB C -6.241 7.213 -0.151 1.00 . A A . 38 SER CB 1 1
3 3271 1 1 38 SER H H -9.143 8.150 0.376 1.00 . A A . 38 SER H 1 1
3 3272 1 1 38 SER HA H -6.920 7.015 1.874 1.00 . A A . 38 SER HA 1 1
3 3273 1 1 38 SER HB2 H -6.366 7.904 -0.968 1.00 . A A . 38 SER HB2 1 1
3 3274 1 1 38 SER HB3 H -5.211 7.234 0.181 1.00 . A A . 38 SER HB3 1 1
3 3275 1 1 38 SER HG H -5.776 5.385 -0.628 1.00 . A A . 38 SER HG 1 1
3 3276 1 1 38 SER N N -8.577 7.386 0.614 1.00 . A A . 38 SER N 1 1
3 3277 1 1 38 SER O O -7.657 9.628 2.191 1.00 . A A . 38 SER O 1 1
3 3278 1 1 38 SER OG O -6.583 5.904 -0.590 1.00 . A A . 38 SER OG 1 1
3 3279 1 1 39 CYS C C -7.279 11.924 1.082 1.00 . A A . 39 CYS C 1 1
3 3280 1 1 39 CYS CA C -5.902 11.249 1.013 1.00 . A A . 39 CYS CA 1 1
3 3281 1 1 39 CYS CB C -5.036 11.994 -0.023 1.00 . A A . 39 CYS CB 1 1
3 3282 1 1 39 CYS H H -5.512 9.374 0.000 1.00 . A A . 39 CYS H 1 1
3 3283 1 1 39 CYS HA H -5.432 11.333 1.982 1.00 . A A . 39 CYS HA 1 1
3 3284 1 1 39 CYS HB2 H -5.446 12.981 -0.177 1.00 . A A . 39 CYS HB2 1 1
3 3285 1 1 39 CYS HB3 H -4.032 12.090 0.364 1.00 . A A . 39 CYS HB3 1 1
3 3286 1 1 39 CYS N N -6.064 9.796 0.688 1.00 . A A . 39 CYS N 1 1
3 3287 1 1 39 CYS O O -7.425 12.973 1.675 1.00 . A A . 39 CYS O 1 1
3 3288 1 1 39 CYS SG S -4.981 11.132 -1.617 1.00 . A A . 39 CYS SG 1 1
3 3289 1 1 40 ARG C C -9.621 13.280 -0.254 1.00 . A A . 40 ARG C 1 1
3 3290 1 1 40 ARG CA C -9.642 11.956 0.509 1.00 . A A . 40 ARG CA 1 1
3 3291 1 1 40 ARG CB C -10.076 12.203 1.959 1.00 . A A . 40 ARG CB 1 1
3 3292 1 1 40 ARG CD C -12.008 10.669 2.363 1.00 . A A . 40 ARG CD 1 1
3 3293 1 1 40 ARG CG C -10.510 10.882 2.596 1.00 . A A . 40 ARG CG 1 1
3 3294 1 1 40 ARG CZ C -13.931 10.154 3.750 1.00 . A A . 40 ARG CZ 1 1
3 3295 1 1 40 ARG H H -8.143 10.502 -0.007 1.00 . A A . 40 ARG H 1 1
3 3296 1 1 40 ARG HA H -10.346 11.286 0.036 1.00 . A A . 40 ARG HA 1 1
3 3297 1 1 40 ARG HB2 H -9.255 12.619 2.519 1.00 . A A . 40 ARG HB2 1 1
3 3298 1 1 40 ARG HB3 H -10.906 12.894 1.973 1.00 . A A . 40 ARG HB3 1 1
3 3299 1 1 40 ARG HD2 H -12.468 11.609 2.100 1.00 . A A . 40 ARG HD2 1 1
3 3300 1 1 40 ARG HD3 H -12.150 9.961 1.561 1.00 . A A . 40 ARG HD3 1 1
3 3301 1 1 40 ARG HE H -12.067 9.784 4.326 1.00 . A A . 40 ARG HE 1 1
3 3302 1 1 40 ARG HG2 H -9.956 10.068 2.149 1.00 . A A . 40 ARG HG2 1 1
3 3303 1 1 40 ARG HG3 H -10.313 10.912 3.657 1.00 . A A . 40 ARG HG3 1 1
3 3304 1 1 40 ARG HH11 H -14.279 10.992 1.964 1.00 . A A . 40 ARG HH11 1 1
3 3305 1 1 40 ARG HH12 H -15.684 10.641 2.913 1.00 . A A . 40 ARG HH12 1 1
3 3306 1 1 40 ARG HH21 H -13.889 9.321 5.569 1.00 . A A . 40 ARG HH21 1 1
3 3307 1 1 40 ARG HH22 H -15.464 9.694 4.952 1.00 . A A . 40 ARG HH22 1 1
3 3308 1 1 40 ARG N N -8.282 11.341 0.477 1.00 . A A . 40 ARG N 1 1
3 3309 1 1 40 ARG NE N -12.632 10.142 3.609 1.00 . A A . 40 ARG NE 1 1
3 3310 1 1 40 ARG NH1 N -14.690 10.634 2.801 1.00 . A A . 40 ARG NH1 1 1
3 3311 1 1 40 ARG NH2 N -14.470 9.687 4.842 1.00 . A A . 40 ARG NH2 1 1
3 3312 1 1 40 ARG O O -10.528 14.083 -0.153 1.00 . A A . 40 ARG O 1 1
3 3313 1 1 41 ALA C C -8.415 14.441 -3.291 1.00 . A A . 41 ALA C 1 1
3 3314 1 1 41 ALA CA C -8.515 14.776 -1.803 1.00 . A A . 41 ALA CA 1 1
3 3315 1 1 41 ALA CB C -7.276 15.567 -1.374 1.00 . A A . 41 ALA CB 1 1
3 3316 1 1 41 ALA H H -7.877 12.846 -1.095 1.00 . A A . 41 ALA H 1 1
3 3317 1 1 41 ALA HA H -9.401 15.367 -1.624 1.00 . A A . 41 ALA HA 1 1
3 3318 1 1 41 ALA HB1 H -6.901 15.172 -0.441 1.00 . A A . 41 ALA HB1 1 1
3 3319 1 1 41 ALA HB2 H -6.515 15.482 -2.134 1.00 . A A . 41 ALA HB2 1 1
3 3320 1 1 41 ALA HB3 H -7.542 16.606 -1.245 1.00 . A A . 41 ALA HB3 1 1
3 3321 1 1 41 ALA N N -8.594 13.510 -1.023 1.00 . A A . 41 ALA N 1 1
3 3322 1 1 41 ALA O O -8.894 13.417 -3.738 1.00 . A A . 41 ALA O 1 1
3 3323 1 1 42 GLY C C -6.192 15.043 -5.917 1.00 . A A . 42 GLY C 1 1
3 3324 1 1 42 GLY CA C -7.668 15.011 -5.519 1.00 . A A . 42 GLY CA 1 1
3 3325 1 1 42 GLY H H -7.414 16.109 -3.683 1.00 . A A . 42 GLY H 1 1
3 3326 1 1 42 GLY HA2 H -8.080 14.035 -5.736 1.00 . A A . 42 GLY HA2 1 1
3 3327 1 1 42 GLY HA3 H -8.205 15.761 -6.079 1.00 . A A . 42 GLY HA3 1 1
3 3328 1 1 42 GLY N N -7.795 15.290 -4.062 1.00 . A A . 42 GLY N 1 1
3 3329 1 1 42 GLY O O -5.825 15.610 -6.928 1.00 . A A . 42 GLY O 1 1
3 3330 1 1 43 ALA C C -3.427 13.028 -5.811 1.00 . A A . 43 ALA C 1 1
3 3331 1 1 43 ALA CA C -3.890 14.447 -5.473 1.00 . A A . 43 ALA CA 1 1
3 3332 1 1 43 ALA CB C -3.088 14.969 -4.278 1.00 . A A . 43 ALA CB 1 1
3 3333 1 1 43 ALA H H -5.653 13.990 -4.319 1.00 . A A . 43 ALA H 1 1
3 3334 1 1 43 ALA HA H -3.725 15.090 -6.323 1.00 . A A . 43 ALA HA 1 1
3 3335 1 1 43 ALA HB1 H -3.266 14.336 -3.421 1.00 . A A . 43 ALA HB1 1 1
3 3336 1 1 43 ALA HB2 H -2.035 14.960 -4.520 1.00 . A A . 43 ALA HB2 1 1
3 3337 1 1 43 ALA HB3 H -3.396 15.979 -4.050 1.00 . A A . 43 ALA HB3 1 1
3 3338 1 1 43 ALA N N -5.340 14.441 -5.131 1.00 . A A . 43 ALA N 1 1
3 3339 1 1 43 ALA O O -2.463 12.841 -6.528 1.00 . A A . 43 ALA O 1 1
3 3340 1 1 44 CYS C C -4.639 9.637 -4.909 1.00 . A A . 44 CYS C 1 1
3 3341 1 1 44 CYS CA C -3.689 10.625 -5.628 1.00 . A A . 44 CYS CA 1 1
3 3342 1 1 44 CYS CB C -2.197 10.479 -5.249 1.00 . A A . 44 CYS CB 1 1
3 3343 1 1 44 CYS H H -4.885 12.189 -4.746 1.00 . A A . 44 CYS H 1 1
3 3344 1 1 44 CYS HA H -3.791 10.473 -6.694 1.00 . A A . 44 CYS HA 1 1
3 3345 1 1 44 CYS HB2 H -1.691 9.951 -6.039 1.00 . A A . 44 CYS HB2 1 1
3 3346 1 1 44 CYS HB3 H -1.764 11.465 -5.165 1.00 . A A . 44 CYS HB3 1 1
3 3347 1 1 44 CYS N N -4.106 12.024 -5.316 1.00 . A A . 44 CYS N 1 1
3 3348 1 1 44 CYS O O -5.428 10.035 -4.076 1.00 . A A . 44 CYS O 1 1
3 3349 1 1 44 CYS SG S -1.913 9.587 -3.700 1.00 . A A . 44 CYS SG 1 1
3 3350 1 1 45 SER C C -5.075 5.966 -4.602 1.00 . A A . 45 SER C 1 1
3 3351 1 1 45 SER CA C -5.625 7.412 -4.651 1.00 . A A . 45 SER CA 1 1
3 3352 1 1 45 SER CB C -6.891 7.420 -5.507 1.00 . A A . 45 SER CB 1 1
3 3353 1 1 45 SER H H -4.045 8.065 -5.991 1.00 . A A . 45 SER H 1 1
3 3354 1 1 45 SER HA H -5.884 7.743 -3.662 1.00 . A A . 45 SER HA 1 1
3 3355 1 1 45 SER HB2 H -7.039 6.446 -5.944 1.00 . A A . 45 SER HB2 1 1
3 3356 1 1 45 SER HB3 H -7.742 7.665 -4.885 1.00 . A A . 45 SER HB3 1 1
3 3357 1 1 45 SER HG H -6.961 9.245 -6.176 1.00 . A A . 45 SER HG 1 1
3 3358 1 1 45 SER N N -4.639 8.370 -5.274 1.00 . A A . 45 SER N 1 1
3 3359 1 1 45 SER O O -5.770 5.033 -4.951 1.00 . A A . 45 SER O 1 1
3 3360 1 1 45 SER OG O -6.750 8.382 -6.542 1.00 . A A . 45 SER OG 1 1
3 3361 1 1 46 THR C C -3.321 3.607 -2.903 1.00 . A A . 46 THR C 1 1
3 3362 1 1 46 THR CA C -3.256 4.378 -4.253 1.00 . A A . 46 THR CA 1 1
3 3363 1 1 46 THR CB C -1.791 4.466 -4.686 1.00 . A A . 46 THR CB 1 1
3 3364 1 1 46 THR CG2 C -1.639 3.905 -6.101 1.00 . A A . 46 THR CG2 1 1
3 3365 1 1 46 THR H H -3.265 6.534 -4.003 1.00 . A A . 46 THR H 1 1
3 3366 1 1 46 THR HA H -3.785 3.801 -4.995 1.00 . A A . 46 THR HA 1 1
3 3367 1 1 46 THR HB H -1.180 3.891 -4.008 1.00 . A A . 46 THR HB 1 1
3 3368 1 1 46 THR HG1 H -0.419 5.843 -4.584 1.00 . A A . 46 THR HG1 1 1
3 3369 1 1 46 THR HG21 H -2.436 4.280 -6.726 1.00 . A A . 46 THR HG21 1 1
3 3370 1 1 46 THR HG22 H -0.687 4.213 -6.509 1.00 . A A . 46 THR HG22 1 1
3 3371 1 1 46 THR HG23 H -1.684 2.827 -6.068 1.00 . A A . 46 THR HG23 1 1
3 3372 1 1 46 THR N N -3.832 5.771 -4.240 1.00 . A A . 46 THR N 1 1
3 3373 1 1 46 THR O O -2.865 2.483 -2.843 1.00 . A A . 46 THR O 1 1
3 3374 1 1 46 THR OG1 O -1.376 5.825 -4.663 1.00 . A A . 46 THR OG1 1 1
3 3375 1 1 47 CYS C C -5.169 3.197 0.111 1.00 . A A . 47 CYS C 1 1
3 3376 1 1 47 CYS CA C -3.788 3.343 -0.535 1.00 . A A . 47 CYS CA 1 1
3 3377 1 1 47 CYS CB C -2.813 3.988 0.464 1.00 . A A . 47 CYS CB 1 1
3 3378 1 1 47 CYS H H -4.160 5.071 -1.824 1.00 . A A . 47 CYS H 1 1
3 3379 1 1 47 CYS HA H -3.422 2.356 -0.771 1.00 . A A . 47 CYS HA 1 1
3 3380 1 1 47 CYS HB2 H -2.879 3.481 1.412 1.00 . A A . 47 CYS HB2 1 1
3 3381 1 1 47 CYS HB3 H -1.806 3.914 0.086 1.00 . A A . 47 CYS HB3 1 1
3 3382 1 1 47 CYS N N -3.815 4.154 -1.815 1.00 . A A . 47 CYS N 1 1
3 3383 1 1 47 CYS O O -5.416 3.708 1.186 1.00 . A A . 47 CYS O 1 1
3 3384 1 1 47 CYS SG S -3.244 5.720 0.694 1.00 . A A . 47 CYS SG 1 1
3 3385 1 1 48 ALA C C -7.624 0.795 0.398 1.00 . A A . 48 ALA C 1 1
3 3386 1 1 48 ALA CA C -7.412 2.289 0.092 1.00 . A A . 48 ALA CA 1 1
3 3387 1 1 48 ALA CB C -8.485 2.765 -0.886 1.00 . A A . 48 ALA CB 1 1
3 3388 1 1 48 ALA H H -5.844 2.062 -1.371 1.00 . A A . 48 ALA H 1 1
3 3389 1 1 48 ALA HA H -7.482 2.856 1.009 1.00 . A A . 48 ALA HA 1 1
3 3390 1 1 48 ALA HB1 H -8.107 2.698 -1.895 1.00 . A A . 48 ALA HB1 1 1
3 3391 1 1 48 ALA HB2 H -9.364 2.144 -0.790 1.00 . A A . 48 ALA HB2 1 1
3 3392 1 1 48 ALA HB3 H -8.742 3.790 -0.667 1.00 . A A . 48 ALA HB3 1 1
3 3393 1 1 48 ALA N N -6.064 2.485 -0.515 1.00 . A A . 48 ALA N 1 1
3 3394 1 1 48 ALA O O -8.581 0.195 -0.046 1.00 . A A . 48 ALA O 1 1
3 3395 1 1 49 GLY C C -6.154 -1.616 2.764 1.00 . A A . 49 GLY C 1 1
3 3396 1 1 49 GLY CA C -6.891 -1.269 1.466 1.00 . A A . 49 GLY CA 1 1
3 3397 1 1 49 GLY H H -5.964 0.686 1.497 1.00 . A A . 49 GLY H 1 1
3 3398 1 1 49 GLY HA2 H -7.933 -1.503 1.576 1.00 . A A . 49 GLY HA2 1 1
3 3399 1 1 49 GLY HA3 H -6.474 -1.850 0.661 1.00 . A A . 49 GLY HA3 1 1
3 3400 1 1 49 GLY N N -6.734 0.188 1.149 1.00 . A A . 49 GLY N 1 1
3 3401 1 1 49 GLY O O -5.439 -0.802 3.313 1.00 . A A . 49 GLY O 1 1
3 3402 1 1 50 LYS C C -4.090 -3.249 4.180 1.00 . A A . 50 LYS C 1 1
3 3403 1 1 50 LYS CA C -5.575 -3.193 4.509 1.00 . A A . 50 LYS CA 1 1
3 3404 1 1 50 LYS CB C -6.036 -4.559 5.014 1.00 . A A . 50 LYS CB 1 1
3 3405 1 1 50 LYS CD C -5.724 -3.610 7.304 1.00 . A A . 50 LYS CD 1 1
3 3406 1 1 50 LYS CE C -5.293 -4.476 8.489 1.00 . A A . 50 LYS CE 1 1
3 3407 1 1 50 LYS CG C -6.666 -4.406 6.399 1.00 . A A . 50 LYS CG 1 1
3 3408 1 1 50 LYS H H -6.869 -3.494 2.800 1.00 . A A . 50 LYS H 1 1
3 3409 1 1 50 LYS HA H -5.753 -2.442 5.266 1.00 . A A . 50 LYS HA 1 1
3 3410 1 1 50 LYS HB2 H -6.762 -4.969 4.328 1.00 . A A . 50 LYS HB2 1 1
3 3411 1 1 50 LYS HB3 H -5.186 -5.222 5.079 1.00 . A A . 50 LYS HB3 1 1
3 3412 1 1 50 LYS HD2 H -4.852 -3.310 6.740 1.00 . A A . 50 LYS HD2 1 1
3 3413 1 1 50 LYS HD3 H -6.234 -2.732 7.671 1.00 . A A . 50 LYS HD3 1 1
3 3414 1 1 50 LYS HE2 H -4.702 -3.883 9.172 1.00 . A A . 50 LYS HE2 1 1
3 3415 1 1 50 LYS HE3 H -6.169 -4.847 9.001 1.00 . A A . 50 LYS HE3 1 1
3 3416 1 1 50 LYS HG2 H -7.607 -3.884 6.310 1.00 . A A . 50 LYS HG2 1 1
3 3417 1 1 50 LYS HG3 H -6.835 -5.382 6.830 1.00 . A A . 50 LYS HG3 1 1
3 3418 1 1 50 LYS HZ1 H -4.346 -5.539 6.969 1.00 . A A . 50 LYS HZ1 1 1
3 3419 1 1 50 LYS HZ2 H -3.554 -5.621 8.469 1.00 . A A . 50 LYS HZ2 1 1
3 3420 1 1 50 LYS HZ3 H -4.972 -6.515 8.211 1.00 . A A . 50 LYS HZ3 1 1
3 3421 1 1 50 LYS N N -6.301 -2.828 3.258 1.00 . A A . 50 LYS N 1 1
3 3422 1 1 50 LYS NZ N -4.480 -5.625 7.997 1.00 . A A . 50 LYS NZ 1 1
3 3423 1 1 50 LYS O O -3.684 -3.914 3.246 1.00 . A A . 50 LYS O 1 1
3 3424 1 1 51 ILE C C -1.801 -2.048 3.116 1.00 . A A . 51 ILE C 1 1
3 3425 1 1 51 ILE CA C -1.848 -2.518 4.550 1.00 . A A . 51 ILE CA 1 1
3 3426 1 1 51 ILE CB C -1.280 -3.929 4.671 1.00 . A A . 51 ILE CB 1 1
3 3427 1 1 51 ILE CD1 C -1.478 -5.967 6.107 1.00 . A A . 51 ILE CD1 1 1
3 3428 1 1 51 ILE CG1 C -1.484 -4.437 6.101 1.00 . A A . 51 ILE CG1 1 1
3 3429 1 1 51 ILE CG2 C 0.214 -3.910 4.343 1.00 . A A . 51 ILE CG2 1 1
3 3430 1 1 51 ILE H H -3.603 -1.963 5.598 1.00 . A A . 51 ILE H 1 1
3 3431 1 1 51 ILE HA H -1.311 -1.836 5.189 1.00 . A A . 51 ILE HA 1 1
3 3432 1 1 51 ILE HB H -1.794 -4.580 3.980 1.00 . A A . 51 ILE HB 1 1
3 3433 1 1 51 ILE HD11 H -1.732 -6.332 5.122 1.00 . A A . 51 ILE HD11 1 1
3 3434 1 1 51 ILE HD12 H -0.495 -6.321 6.381 1.00 . A A . 51 ILE HD12 1 1
3 3435 1 1 51 ILE HD13 H -2.203 -6.327 6.822 1.00 . A A . 51 ILE HD13 1 1
3 3436 1 1 51 ILE HG12 H -0.687 -4.070 6.730 1.00 . A A . 51 ILE HG12 1 1
3 3437 1 1 51 ILE HG13 H -2.432 -4.081 6.476 1.00 . A A . 51 ILE HG13 1 1
3 3438 1 1 51 ILE HG21 H 0.415 -3.128 3.626 1.00 . A A . 51 ILE HG21 1 1
3 3439 1 1 51 ILE HG22 H 0.778 -3.723 5.246 1.00 . A A . 51 ILE HG22 1 1
3 3440 1 1 51 ILE HG23 H 0.505 -4.863 3.928 1.00 . A A . 51 ILE HG23 1 1
3 3441 1 1 51 ILE N N -3.275 -2.524 4.891 1.00 . A A . 51 ILE N 1 1
3 3442 1 1 51 ILE O O -1.776 -2.841 2.212 1.00 . A A . 51 ILE O 1 1
3 3443 1 1 52 THR C C -0.582 -0.403 0.771 1.00 . A A . 52 THR C 1 1
3 3444 1 1 52 THR CA C -1.906 -0.205 1.522 1.00 . A A . 52 THR CA 1 1
3 3445 1 1 52 THR CB C -2.239 1.282 1.604 1.00 . A A . 52 THR CB 1 1
3 3446 1 1 52 THR CG2 C -3.530 1.463 2.405 1.00 . A A . 52 THR CG2 1 1
3 3447 1 1 52 THR H H -1.949 -0.151 3.671 1.00 . A A . 52 THR H 1 1
3 3448 1 1 52 THR HA H -2.689 -0.698 0.973 1.00 . A A . 52 THR HA 1 1
3 3449 1 1 52 THR HB H -2.378 1.678 0.611 1.00 . A A . 52 THR HB 1 1
3 3450 1 1 52 THR HG1 H -1.200 1.739 3.180 1.00 . A A . 52 THR HG1 1 1
3 3451 1 1 52 THR HG21 H -4.086 0.537 2.404 1.00 . A A . 52 THR HG21 1 1
3 3452 1 1 52 THR HG22 H -3.286 1.734 3.422 1.00 . A A . 52 THR HG22 1 1
3 3453 1 1 52 THR HG23 H -4.127 2.241 1.960 1.00 . A A . 52 THR HG23 1 1
3 3454 1 1 52 THR N N -1.868 -0.759 2.908 1.00 . A A . 52 THR N 1 1
3 3455 1 1 52 THR O O -0.289 0.309 -0.169 1.00 . A A . 52 THR O 1 1
3 3456 1 1 52 THR OG1 O -1.180 1.970 2.249 1.00 . A A . 52 THR OG1 1 1
3 3457 1 1 53 ALA C C 2.443 -0.470 0.626 1.00 . A A . 53 ALA C 1 1
3 3458 1 1 53 ALA CA C 1.463 -1.620 0.401 1.00 . A A . 53 ALA CA 1 1
3 3459 1 1 53 ALA CB C 1.132 -1.741 -1.080 1.00 . A A . 53 ALA CB 1 1
3 3460 1 1 53 ALA H H -0.047 -1.956 1.866 1.00 . A A . 53 ALA H 1 1
3 3461 1 1 53 ALA HA H 1.906 -2.542 0.744 1.00 . A A . 53 ALA HA 1 1
3 3462 1 1 53 ALA HB1 H 0.063 -1.652 -1.214 1.00 . A A . 53 ALA HB1 1 1
3 3463 1 1 53 ALA HB2 H 1.633 -0.958 -1.626 1.00 . A A . 53 ALA HB2 1 1
3 3464 1 1 53 ALA HB3 H 1.461 -2.704 -1.441 1.00 . A A . 53 ALA HB3 1 1
3 3465 1 1 53 ALA N N 0.201 -1.376 1.137 1.00 . A A . 53 ALA N 1 1
3 3466 1 1 53 ALA O O 2.295 0.605 0.079 1.00 . A A . 53 ALA O 1 1
3 3467 1 1 54 GLY C C 5.056 0.902 0.416 1.00 . A A . 54 GLY C 1 1
3 3468 1 1 54 GLY CA C 4.465 0.350 1.719 1.00 . A A . 54 GLY CA 1 1
3 3469 1 1 54 GLY H H 3.526 -1.586 1.849 1.00 . A A . 54 GLY H 1 1
3 3470 1 1 54 GLY HA2 H 4.004 1.154 2.272 1.00 . A A . 54 GLY HA2 1 1
3 3471 1 1 54 GLY HA3 H 5.260 -0.079 2.312 1.00 . A A . 54 GLY HA3 1 1
3 3472 1 1 54 GLY N N 3.445 -0.704 1.430 1.00 . A A . 54 GLY N 1 1
3 3473 1 1 54 GLY O O 4.477 0.786 -0.645 1.00 . A A . 54 GLY O 1 1
3 3474 1 1 55 SER C C 8.237 2.615 -0.358 1.00 . A A . 55 SER C 1 1
3 3475 1 1 55 SER CA C 6.858 2.071 -0.725 1.00 . A A . 55 SER CA 1 1
3 3476 1 1 55 SER CB C 5.990 3.195 -1.284 1.00 . A A . 55 SER CB 1 1
3 3477 1 1 55 SER H H 6.660 1.579 1.363 1.00 . A A . 55 SER H 1 1
3 3478 1 1 55 SER HA H 6.973 1.286 -1.458 1.00 . A A . 55 SER HA 1 1
3 3479 1 1 55 SER HB2 H 6.407 3.552 -2.210 1.00 . A A . 55 SER HB2 1 1
3 3480 1 1 55 SER HB3 H 4.990 2.824 -1.456 1.00 . A A . 55 SER HB3 1 1
3 3481 1 1 55 SER HG H 6.069 3.892 0.530 1.00 . A A . 55 SER HG 1 1
3 3482 1 1 55 SER N N 6.213 1.504 0.497 1.00 . A A . 55 SER N 1 1
3 3483 1 1 55 SER O O 8.708 2.364 0.715 1.00 . A A . 55 SER O 1 1
3 3484 1 1 55 SER OG O 5.951 4.263 -0.348 1.00 . A A . 55 SER OG 1 1
3 3485 1 1 56 VAL C C 10.260 5.307 -0.549 1.00 . A A . 56 VAL C 1 1
3 3486 1 1 56 VAL CA C 10.277 3.817 -0.945 1.00 . A A . 56 VAL CA 1 1
3 3487 1 1 56 VAL CB C 11.193 3.597 -2.175 1.00 . A A . 56 VAL CB 1 1
3 3488 1 1 56 VAL CG1 C 11.610 4.928 -2.816 1.00 . A A . 56 VAL CG1 1 1
3 3489 1 1 56 VAL CG2 C 12.455 2.848 -1.739 1.00 . A A . 56 VAL CG2 1 1
3 3490 1 1 56 VAL H H 8.519 3.468 -2.130 1.00 . A A . 56 VAL H 1 1
3 3491 1 1 56 VAL HA H 10.664 3.244 -0.129 1.00 . A A . 56 VAL HA 1 1
3 3492 1 1 56 VAL HB H 10.668 3.005 -2.905 1.00 . A A . 56 VAL HB 1 1
3 3493 1 1 56 VAL HG11 H 10.752 5.582 -2.877 1.00 . A A . 56 VAL HG11 1 1
3 3494 1 1 56 VAL HG12 H 12.375 5.395 -2.215 1.00 . A A . 56 VAL HG12 1 1
3 3495 1 1 56 VAL HG13 H 11.993 4.746 -3.810 1.00 . A A . 56 VAL HG13 1 1
3 3496 1 1 56 VAL HG21 H 12.540 2.880 -0.663 1.00 . A A . 56 VAL HG21 1 1
3 3497 1 1 56 VAL HG22 H 12.394 1.820 -2.065 1.00 . A A . 56 VAL HG22 1 1
3 3498 1 1 56 VAL HG23 H 13.322 3.315 -2.183 1.00 . A A . 56 VAL HG23 1 1
3 3499 1 1 56 VAL N N 8.903 3.311 -1.254 1.00 . A A . 56 VAL N 1 1
3 3500 1 1 56 VAL O O 9.455 6.081 -1.025 1.00 . A A . 56 VAL O 1 1
3 3501 1 1 57 ASP C C 12.109 7.208 2.035 1.00 . A A . 57 ASP C 1 1
3 3502 1 1 57 ASP CA C 11.296 7.130 0.738 1.00 . A A . 57 ASP CA 1 1
3 3503 1 1 57 ASP CB C 9.916 7.754 0.961 1.00 . A A . 57 ASP CB 1 1
3 3504 1 1 57 ASP CG C 10.080 9.149 1.567 1.00 . A A . 57 ASP CG 1 1
3 3505 1 1 57 ASP H H 11.829 5.045 0.641 1.00 . A A . 57 ASP H 1 1
3 3506 1 1 57 ASP HA H 11.814 7.685 -0.025 1.00 . A A . 57 ASP HA 1 1
3 3507 1 1 57 ASP HB2 H 9.397 7.833 0.019 1.00 . A A . 57 ASP HB2 1 1
3 3508 1 1 57 ASP HB3 H 9.352 7.144 1.632 1.00 . A A . 57 ASP HB3 1 1
3 3509 1 1 57 ASP N N 11.183 5.700 0.302 1.00 . A A . 57 ASP N 1 1
3 3510 1 1 57 ASP O O 13.194 7.752 2.060 1.00 . A A . 57 ASP O 1 1
3 3511 1 1 57 ASP OD1 O 10.976 9.858 1.140 1.00 . A A . 57 ASP OD1 1 1
3 3512 1 1 57 ASP OD2 O 9.308 9.483 2.450 1.00 . A A . 57 ASP OD2 1 1
3 3513 1 1 58 GLN C C 12.677 8.184 4.739 1.00 . A A . 58 GLN C 1 1
3 3514 1 1 58 GLN CA C 12.366 6.726 4.397 1.00 . A A . 58 GLN CA 1 1
3 3515 1 1 58 GLN CB C 13.679 5.952 4.247 1.00 . A A . 58 GLN CB 1 1
3 3516 1 1 58 GLN CD C 14.381 3.584 4.638 1.00 . A A . 58 GLN CD 1 1
3 3517 1 1 58 GLN CG C 13.378 4.490 3.918 1.00 . A A . 58 GLN CG 1 1
3 3518 1 1 58 GLN H H 10.724 6.235 3.087 1.00 . A A . 58 GLN H 1 1
3 3519 1 1 58 GLN HA H 11.776 6.287 5.188 1.00 . A A . 58 GLN HA 1 1
3 3520 1 1 58 GLN HB2 H 14.264 6.388 3.450 1.00 . A A . 58 GLN HB2 1 1
3 3521 1 1 58 GLN HB3 H 14.235 6.004 5.171 1.00 . A A . 58 GLN HB3 1 1
3 3522 1 1 58 GLN HE21 H 13.627 1.907 3.885 1.00 . A A . 58 GLN HE21 1 1
3 3523 1 1 58 GLN HE22 H 14.951 1.702 4.927 1.00 . A A . 58 GLN HE22 1 1
3 3524 1 1 58 GLN HG2 H 12.377 4.250 4.243 1.00 . A A . 58 GLN HG2 1 1
3 3525 1 1 58 GLN HG3 H 13.459 4.336 2.852 1.00 . A A . 58 GLN HG3 1 1
3 3526 1 1 58 GLN N N 11.602 6.671 3.115 1.00 . A A . 58 GLN N 1 1
3 3527 1 1 58 GLN NE2 N 14.314 2.290 4.469 1.00 . A A . 58 GLN NE2 1 1
3 3528 1 1 58 GLN O O 13.805 8.624 4.641 1.00 . A A . 58 GLN O 1 1
3 3529 1 1 58 GLN OE1 O 15.233 4.058 5.363 1.00 . A A . 58 GLN OE1 1 1
3 3530 1 1 59 SER C C 11.236 10.723 6.784 1.00 . A A . 59 SER C 1 1
3 3531 1 1 59 SER CA C 11.943 10.367 5.475 1.00 . A A . 59 SER CA 1 1
3 3532 1 1 59 SER CB C 11.412 11.255 4.349 1.00 . A A . 59 SER CB 1 1
3 3533 1 1 59 SER H H 10.784 8.570 5.205 1.00 . A A . 59 SER H 1 1
3 3534 1 1 59 SER HA H 13.005 10.526 5.585 1.00 . A A . 59 SER HA 1 1
3 3535 1 1 59 SER HB2 H 10.338 11.191 4.313 1.00 . A A . 59 SER HB2 1 1
3 3536 1 1 59 SER HB3 H 11.704 12.281 4.534 1.00 . A A . 59 SER HB3 1 1
3 3537 1 1 59 SER HG H 12.807 10.418 3.282 1.00 . A A . 59 SER HG 1 1
3 3538 1 1 59 SER N N 11.690 8.939 5.135 1.00 . A A . 59 SER N 1 1
3 3539 1 1 59 SER O O 11.266 11.856 7.225 1.00 . A A . 59 SER O 1 1
3 3540 1 1 59 SER OG O 11.950 10.812 3.109 1.00 . A A . 59 SER OG 1 1
3 3541 1 1 60 ASP C C 9.075 11.354 8.528 1.00 . A A . 60 ASP C 1 1
3 3542 1 1 60 ASP CA C 9.898 10.074 8.692 1.00 . A A . 60 ASP CA 1 1
3 3543 1 1 60 ASP CB C 10.933 10.272 9.803 1.00 . A A . 60 ASP CB 1 1
3 3544 1 1 60 ASP CG C 10.461 9.565 11.075 1.00 . A A . 60 ASP CG 1 1
3 3545 1 1 60 ASP H H 10.584 8.863 7.046 1.00 . A A . 60 ASP H 1 1
3 3546 1 1 60 ASP HA H 9.245 9.253 8.949 1.00 . A A . 60 ASP HA 1 1
3 3547 1 1 60 ASP HB2 H 11.880 9.857 9.490 1.00 . A A . 60 ASP HB2 1 1
3 3548 1 1 60 ASP HB3 H 11.050 11.327 10.002 1.00 . A A . 60 ASP HB3 1 1
3 3549 1 1 60 ASP N N 10.600 9.773 7.413 1.00 . A A . 60 ASP N 1 1
3 3550 1 1 60 ASP O O 9.038 12.197 9.402 1.00 . A A . 60 ASP O 1 1
3 3551 1 1 60 ASP OD1 O 9.676 10.153 11.800 1.00 . A A . 60 ASP OD1 1 1
3 3552 1 1 60 ASP OD2 O 10.893 8.448 11.302 1.00 . A A . 60 ASP OD2 1 1
3 3553 1 1 61 GLN C C 6.657 12.494 5.997 1.00 . A A . 61 GLN C 1 1
3 3554 1 1 61 GLN CA C 7.602 12.733 7.184 1.00 . A A . 61 GLN CA 1 1
3 3555 1 1 61 GLN CB C 8.544 13.913 6.903 1.00 . A A . 61 GLN CB 1 1
3 3556 1 1 61 GLN CD C 8.900 13.791 4.427 1.00 . A A . 61 GLN CD 1 1
3 3557 1 1 61 GLN CG C 9.532 13.533 5.795 1.00 . A A . 61 GLN CG 1 1
3 3558 1 1 61 GLN H H 8.465 10.815 6.717 1.00 . A A . 61 GLN H 1 1
3 3559 1 1 61 GLN HA H 7.019 12.943 8.070 1.00 . A A . 61 GLN HA 1 1
3 3560 1 1 61 GLN HB2 H 7.971 14.774 6.600 1.00 . A A . 61 GLN HB2 1 1
3 3561 1 1 61 GLN HB3 H 9.094 14.150 7.801 1.00 . A A . 61 GLN HB3 1 1
3 3562 1 1 61 GLN HE21 H 8.600 11.866 4.047 1.00 . A A . 61 GLN HE21 1 1
3 3563 1 1 61 GLN HE22 H 8.088 12.933 2.831 1.00 . A A . 61 GLN HE22 1 1
3 3564 1 1 61 GLN HG2 H 10.429 14.127 5.896 1.00 . A A . 61 GLN HG2 1 1
3 3565 1 1 61 GLN HG3 H 9.783 12.486 5.881 1.00 . A A . 61 GLN HG3 1 1
3 3566 1 1 61 GLN N N 8.418 11.507 7.411 1.00 . A A . 61 GLN N 1 1
3 3567 1 1 61 GLN NE2 N 8.496 12.780 3.709 1.00 . A A . 61 GLN NE2 1 1
3 3568 1 1 61 GLN O O 6.174 11.396 5.800 1.00 . A A . 61 GLN O 1 1
3 3569 1 1 61 GLN OE1 O 8.772 14.924 4.009 1.00 . A A . 61 GLN OE1 1 1
3 3570 1 1 62 SER C C 4.017 13.348 4.522 1.00 . A A . 62 SER C 1 1
3 3571 1 1 62 SER CA C 5.469 13.321 4.042 1.00 . A A . 62 SER CA 1 1
3 3572 1 1 62 SER CB C 5.759 11.983 3.356 1.00 . A A . 62 SER CB 1 1
3 3573 1 1 62 SER H H 6.775 14.379 5.380 1.00 . A A . 62 SER H 1 1
3 3574 1 1 62 SER HA H 5.627 14.125 3.338 1.00 . A A . 62 SER HA 1 1
3 3575 1 1 62 SER HB2 H 6.660 11.555 3.764 1.00 . A A . 62 SER HB2 1 1
3 3576 1 1 62 SER HB3 H 4.932 11.307 3.526 1.00 . A A . 62 SER HB3 1 1
3 3577 1 1 62 SER HG H 5.789 11.364 1.512 1.00 . A A . 62 SER HG 1 1
3 3578 1 1 62 SER N N 6.382 13.502 5.208 1.00 . A A . 62 SER N 1 1
3 3579 1 1 62 SER O O 3.733 13.684 5.654 1.00 . A A . 62 SER O 1 1
3 3580 1 1 62 SER OG O 5.933 12.200 1.963 1.00 . A A . 62 SER OG 1 1
3 3581 1 1 63 PHE C C 1.210 11.593 4.415 1.00 . A A . 63 PHE C 1 1
3 3582 1 1 63 PHE CA C 1.660 13.014 4.070 1.00 . A A . 63 PHE CA 1 1
3 3583 1 1 63 PHE CB C 0.811 13.546 2.913 1.00 . A A . 63 PHE CB 1 1
3 3584 1 1 63 PHE CD1 C 1.909 15.812 2.791 1.00 . A A . 63 PHE CD1 1 1
3 3585 1 1 63 PHE CD2 C -0.473 15.691 3.233 1.00 . A A . 63 PHE CD2 1 1
3 3586 1 1 63 PHE CE1 C 1.849 17.210 2.852 1.00 . A A . 63 PHE CE1 1 1
3 3587 1 1 63 PHE CE2 C -0.533 17.088 3.295 1.00 . A A . 63 PHE CE2 1 1
3 3588 1 1 63 PHE CG C 0.748 15.052 2.982 1.00 . A A . 63 PHE CG 1 1
3 3589 1 1 63 PHE CZ C 0.628 17.848 3.104 1.00 . A A . 63 PHE CZ 1 1
3 3590 1 1 63 PHE H H 3.344 12.739 2.755 1.00 . A A . 63 PHE H 1 1
3 3591 1 1 63 PHE HA H 1.533 13.653 4.932 1.00 . A A . 63 PHE HA 1 1
3 3592 1 1 63 PHE HB2 H 1.254 13.246 1.976 1.00 . A A . 63 PHE HB2 1 1
3 3593 1 1 63 PHE HB3 H -0.187 13.141 2.986 1.00 . A A . 63 PHE HB3 1 1
3 3594 1 1 63 PHE HD1 H 2.850 15.321 2.597 1.00 . A A . 63 PHE HD1 1 1
3 3595 1 1 63 PHE HD2 H -1.368 15.105 3.380 1.00 . A A . 63 PHE HD2 1 1
3 3596 1 1 63 PHE HE1 H 2.744 17.796 2.706 1.00 . A A . 63 PHE HE1 1 1
3 3597 1 1 63 PHE HE2 H -1.474 17.580 3.489 1.00 . A A . 63 PHE HE2 1 1
3 3598 1 1 63 PHE HZ H 0.581 18.925 3.152 1.00 . A A . 63 PHE HZ 1 1
3 3599 1 1 63 PHE N N 3.094 13.002 3.666 1.00 . A A . 63 PHE N 1 1
3 3600 1 1 63 PHE O O 0.506 10.960 3.659 1.00 . A A . 63 PHE O 1 1
3 3601 1 1 64 LEU C C 2.015 8.682 5.147 1.00 . A A . 64 LEU C 1 1
3 3602 1 1 64 LEU CA C 1.208 9.708 5.948 1.00 . A A . 64 LEU CA 1 1
3 3603 1 1 64 LEU CB C -0.287 9.502 5.684 1.00 . A A . 64 LEU CB 1 1
3 3604 1 1 64 LEU CD1 C -2.569 10.370 6.207 1.00 . A A . 64 LEU CD1 1 1
3 3605 1 1 64 LEU CD2 C -0.634 10.982 7.663 1.00 . A A . 64 LEU CD2 1 1
3 3606 1 1 64 LEU CG C -1.074 10.694 6.226 1.00 . A A . 64 LEU CG 1 1
3 3607 1 1 64 LEU H H 2.181 11.622 6.146 1.00 . A A . 64 LEU H 1 1
3 3608 1 1 64 LEU HA H 1.406 9.570 7.001 1.00 . A A . 64 LEU HA 1 1
3 3609 1 1 64 LEU HB2 H -0.458 9.407 4.621 1.00 . A A . 64 LEU HB2 1 1
3 3610 1 1 64 LEU HB3 H -0.616 8.602 6.180 1.00 . A A . 64 LEU HB3 1 1
3 3611 1 1 64 LEU HD11 H -2.742 9.509 5.579 1.00 . A A . 64 LEU HD11 1 1
3 3612 1 1 64 LEU HD12 H -2.904 10.158 7.211 1.00 . A A . 64 LEU HD12 1 1
3 3613 1 1 64 LEU HD13 H -3.116 11.216 5.817 1.00 . A A . 64 LEU HD13 1 1
3 3614 1 1 64 LEU HD21 H -0.724 10.083 8.253 1.00 . A A . 64 LEU HD21 1 1
3 3615 1 1 64 LEU HD22 H 0.394 11.313 7.665 1.00 . A A . 64 LEU HD22 1 1
3 3616 1 1 64 LEU HD23 H -1.262 11.754 8.085 1.00 . A A . 64 LEU HD23 1 1
3 3617 1 1 64 LEU HG H -0.886 11.561 5.609 1.00 . A A . 64 LEU HG 1 1
3 3618 1 1 64 LEU N N 1.612 11.090 5.551 1.00 . A A . 64 LEU N 1 1
3 3619 1 1 64 LEU O O 2.268 8.852 3.970 1.00 . A A . 64 LEU O 1 1
3 3620 1 1 65 ASP C C 3.016 5.234 5.814 1.00 . A A . 65 ASP C 1 1
3 3621 1 1 65 ASP CA C 3.206 6.566 5.076 1.00 . A A . 65 ASP CA 1 1
3 3622 1 1 65 ASP CB C 4.683 6.956 5.082 1.00 . A A . 65 ASP CB 1 1
3 3623 1 1 65 ASP CG C 4.812 8.478 4.980 1.00 . A A . 65 ASP CG 1 1
3 3624 1 1 65 ASP H H 2.198 7.504 6.731 1.00 . A A . 65 ASP H 1 1
3 3625 1 1 65 ASP HA H 2.860 6.479 4.060 1.00 . A A . 65 ASP HA 1 1
3 3626 1 1 65 ASP HB2 H 5.137 6.618 5.998 1.00 . A A . 65 ASP HB2 1 1
3 3627 1 1 65 ASP HB3 H 5.177 6.498 4.239 1.00 . A A . 65 ASP HB3 1 1
3 3628 1 1 65 ASP N N 2.417 7.616 5.782 1.00 . A A . 65 ASP N 1 1
3 3629 1 1 65 ASP O O 2.106 5.093 6.606 1.00 . A A . 65 ASP O 1 1
3 3630 1 1 65 ASP OD1 O 4.488 9.145 5.949 1.00 . A A . 65 ASP OD1 1 1
3 3631 1 1 65 ASP OD2 O 5.233 8.948 3.937 1.00 . A A . 65 ASP OD2 1 1
3 3632 1 1 66 ASP C C 3.551 3.294 7.799 1.00 . A A . 66 ASP C 1 1
3 3633 1 1 66 ASP CA C 3.688 2.975 6.316 1.00 . A A . 66 ASP CA 1 1
3 3634 1 1 66 ASP CB C 4.929 2.099 6.110 1.00 . A A . 66 ASP CB 1 1
3 3635 1 1 66 ASP CG C 4.911 1.480 4.710 1.00 . A A . 66 ASP CG 1 1
3 3636 1 1 66 ASP H H 4.606 4.360 4.966 1.00 . A A . 66 ASP H 1 1
3 3637 1 1 66 ASP HA H 2.816 2.465 5.960 1.00 . A A . 66 ASP HA 1 1
3 3638 1 1 66 ASP HB2 H 5.816 2.704 6.222 1.00 . A A . 66 ASP HB2 1 1
3 3639 1 1 66 ASP HB3 H 4.938 1.312 6.849 1.00 . A A . 66 ASP HB3 1 1
3 3640 1 1 66 ASP N N 3.861 4.254 5.589 1.00 . A A . 66 ASP N 1 1
3 3641 1 1 66 ASP O O 2.611 2.907 8.460 1.00 . A A . 66 ASP O 1 1
3 3642 1 1 66 ASP OD1 O 3.922 0.851 4.372 1.00 . A A . 66 ASP OD1 1 1
3 3643 1 1 66 ASP OD2 O 5.890 1.642 4.000 1.00 . A A . 66 ASP OD2 1 1
3 3644 1 1 67 ASP C C 6.040 4.472 10.086 1.00 . A A . 67 ASP C 1 1
3 3645 1 1 67 ASP CA C 4.562 4.388 9.732 1.00 . A A . 67 ASP CA 1 1
3 3646 1 1 67 ASP CB C 3.882 3.330 10.606 1.00 . A A . 67 ASP CB 1 1
3 3647 1 1 67 ASP CG C 2.437 3.749 10.885 1.00 . A A . 67 ASP CG 1 1
3 3648 1 1 67 ASP H H 5.248 4.278 7.712 1.00 . A A . 67 ASP H 1 1
3 3649 1 1 67 ASP HA H 4.091 5.352 9.872 1.00 . A A . 67 ASP HA 1 1
3 3650 1 1 67 ASP HB2 H 3.889 2.381 10.091 1.00 . A A . 67 ASP HB2 1 1
3 3651 1 1 67 ASP HB3 H 4.415 3.237 11.539 1.00 . A A . 67 ASP HB3 1 1
3 3652 1 1 67 ASP N N 4.515 4.000 8.299 1.00 . A A . 67 ASP N 1 1
3 3653 1 1 67 ASP O O 6.450 5.182 10.983 1.00 . A A . 67 ASP O 1 1
3 3654 1 1 67 ASP OD1 O 2.203 4.937 11.030 1.00 . A A . 67 ASP OD1 1 1
3 3655 1 1 67 ASP OD2 O 1.591 2.873 10.950 1.00 . A A . 67 ASP OD2 1 1
3 3656 1 1 68 GLN C C 8.969 2.570 8.872 1.00 . A A . 68 GLN C 1 1
3 3657 1 1 68 GLN CA C 8.312 3.771 9.566 1.00 . A A . 68 GLN CA 1 1
3 3658 1 1 68 GLN CB C 8.618 3.723 11.070 1.00 . A A . 68 GLN CB 1 1
3 3659 1 1 68 GLN CD C 7.539 1.453 10.966 1.00 . A A . 68 GLN CD 1 1
3 3660 1 1 68 GLN CG C 7.674 2.742 11.782 1.00 . A A . 68 GLN CG 1 1
3 3661 1 1 68 GLN H H 6.465 3.209 8.619 1.00 . A A . 68 GLN H 1 1
3 3662 1 1 68 GLN HA H 8.723 4.684 9.143 1.00 . A A . 68 GLN HA 1 1
3 3663 1 1 68 GLN HB2 H 9.640 3.403 11.215 1.00 . A A . 68 GLN HB2 1 1
3 3664 1 1 68 GLN HB3 H 8.488 4.709 11.491 1.00 . A A . 68 GLN HB3 1 1
3 3665 1 1 68 GLN HE21 H 5.640 1.784 10.490 1.00 . A A . 68 GLN HE21 1 1
3 3666 1 1 68 GLN HE22 H 6.304 0.350 9.869 1.00 . A A . 68 GLN HE22 1 1
3 3667 1 1 68 GLN HG2 H 8.076 2.505 12.755 1.00 . A A . 68 GLN HG2 1 1
3 3668 1 1 68 GLN HG3 H 6.701 3.194 11.898 1.00 . A A . 68 GLN HG3 1 1
3 3669 1 1 68 GLN N N 6.840 3.753 9.343 1.00 . A A . 68 GLN N 1 1
3 3670 1 1 68 GLN NE2 N 6.400 1.172 10.395 1.00 . A A . 68 GLN NE2 1 1
3 3671 1 1 68 GLN O O 10.177 2.496 8.791 1.00 . A A . 68 GLN O 1 1
3 3672 1 1 68 GLN OE1 O 8.481 0.695 10.847 1.00 . A A . 68 GLN OE1 1 1
3 3673 1 1 69 ILE C C 7.751 -0.680 7.617 1.00 . A A . 69 ILE C 1 1
3 3674 1 1 69 ILE CA C 8.789 0.451 7.677 1.00 . A A . 69 ILE CA 1 1
3 3675 1 1 69 ILE CB C 10.067 -0.003 8.436 1.00 . A A . 69 ILE CB 1 1
3 3676 1 1 69 ILE CD1 C 11.701 -0.501 6.578 1.00 . A A . 69 ILE CD1 1 1
3 3677 1 1 69 ILE CG1 C 11.314 0.493 7.680 1.00 . A A . 69 ILE CG1 1 1
3 3678 1 1 69 ILE CG2 C 10.137 -1.534 8.574 1.00 . A A . 69 ILE CG2 1 1
3 3679 1 1 69 ILE H H 7.215 1.713 8.430 1.00 . A A . 69 ILE H 1 1
3 3680 1 1 69 ILE HA H 9.054 0.731 6.668 1.00 . A A . 69 ILE HA 1 1
3 3681 1 1 69 ILE HB H 10.059 0.435 9.424 1.00 . A A . 69 ILE HB 1 1
3 3682 1 1 69 ILE HD11 H 10.879 -0.609 5.885 1.00 . A A . 69 ILE HD11 1 1
3 3683 1 1 69 ILE HD12 H 12.570 -0.134 6.050 1.00 . A A . 69 ILE HD12 1 1
3 3684 1 1 69 ILE HD13 H 11.928 -1.459 7.020 1.00 . A A . 69 ILE HD13 1 1
3 3685 1 1 69 ILE HG12 H 11.103 1.454 7.237 1.00 . A A . 69 ILE HG12 1 1
3 3686 1 1 69 ILE HG13 H 12.135 0.592 8.374 1.00 . A A . 69 ILE HG13 1 1
3 3687 1 1 69 ILE HG21 H 9.743 -1.993 7.680 1.00 . A A . 69 ILE HG21 1 1
3 3688 1 1 69 ILE HG22 H 11.165 -1.836 8.711 1.00 . A A . 69 ILE HG22 1 1
3 3689 1 1 69 ILE HG23 H 9.553 -1.845 9.427 1.00 . A A . 69 ILE HG23 1 1
3 3690 1 1 69 ILE N N 8.190 1.635 8.365 1.00 . A A . 69 ILE N 1 1
3 3691 1 1 69 ILE O O 7.636 -1.483 8.521 1.00 . A A . 69 ILE O 1 1
3 3692 1 1 70 GLU C C 4.795 -1.600 7.341 1.00 . A A . 70 GLU C 1 1
3 3693 1 1 70 GLU CA C 5.991 -1.845 6.420 1.00 . A A . 70 GLU CA 1 1
3 3694 1 1 70 GLU CB C 6.639 -3.187 6.778 1.00 . A A . 70 GLU CB 1 1
3 3695 1 1 70 GLU CD C 5.603 -5.328 7.545 1.00 . A A . 70 GLU CD 1 1
3 3696 1 1 70 GLU CG C 5.699 -4.329 6.389 1.00 . A A . 70 GLU CG 1 1
3 3697 1 1 70 GLU H H 7.105 -0.089 5.828 1.00 . A A . 70 GLU H 1 1
3 3698 1 1 70 GLU HA H 5.646 -1.884 5.398 1.00 . A A . 70 GLU HA 1 1
3 3699 1 1 70 GLU HB2 H 7.572 -3.291 6.245 1.00 . A A . 70 GLU HB2 1 1
3 3700 1 1 70 GLU HB3 H 6.824 -3.228 7.840 1.00 . A A . 70 GLU HB3 1 1
3 3701 1 1 70 GLU HG2 H 4.718 -3.929 6.174 1.00 . A A . 70 GLU HG2 1 1
3 3702 1 1 70 GLU HG3 H 6.084 -4.831 5.514 1.00 . A A . 70 GLU HG3 1 1
3 3703 1 1 70 GLU N N 7.000 -0.751 6.551 1.00 . A A . 70 GLU N 1 1
3 3704 1 1 70 GLU O O 4.631 -2.254 8.351 1.00 . A A . 70 GLU O 1 1
3 3705 1 1 70 GLU OE1 O 6.287 -5.127 8.535 1.00 . A A . 70 GLU OE1 1 1
3 3706 1 1 70 GLU OE2 O 4.846 -6.276 7.421 1.00 . A A . 70 GLU OE2 1 1
3 3707 1 1 71 ALA C C 1.702 0.293 6.931 1.00 . A A . 71 ALA C 1 1
3 3708 1 1 71 ALA CA C 2.743 -0.413 7.802 1.00 . A A . 71 ALA CA 1 1
3 3709 1 1 71 ALA CB C 3.108 0.463 9.000 1.00 . A A . 71 ALA CB 1 1
3 3710 1 1 71 ALA H H 4.089 -0.192 6.158 1.00 . A A . 71 ALA H 1 1
3 3711 1 1 71 ALA HA H 2.347 -1.342 8.148 1.00 . A A . 71 ALA HA 1 1
3 3712 1 1 71 ALA HB1 H 3.915 1.126 8.728 1.00 . A A . 71 ALA HB1 1 1
3 3713 1 1 71 ALA HB2 H 2.246 1.043 9.297 1.00 . A A . 71 ALA HB2 1 1
3 3714 1 1 71 ALA HB3 H 3.417 -0.164 9.823 1.00 . A A . 71 ALA HB3 1 1
3 3715 1 1 71 ALA N N 3.946 -0.685 6.981 1.00 . A A . 71 ALA N 1 1
3 3716 1 1 71 ALA O O 1.408 1.457 7.113 1.00 . A A . 71 ALA O 1 1
3 3717 1 1 72 GLY C C -0.930 0.902 5.932 1.00 . A A . 72 GLY C 1 1
3 3718 1 1 72 GLY CA C 0.139 0.227 5.084 1.00 . A A . 72 GLY CA 1 1
3 3719 1 1 72 GLY H H 1.389 -1.336 5.839 1.00 . A A . 72 GLY H 1 1
3 3720 1 1 72 GLY HA2 H 0.626 0.959 4.467 1.00 . A A . 72 GLY HA2 1 1
3 3721 1 1 72 GLY HA3 H -0.316 -0.523 4.460 1.00 . A A . 72 GLY HA3 1 1
3 3722 1 1 72 GLY N N 1.145 -0.403 5.974 1.00 . A A . 72 GLY N 1 1
3 3723 1 1 72 GLY O O -1.320 2.017 5.665 1.00 . A A . 72 GLY O 1 1
3 3724 1 1 73 TYR C C -3.066 2.035 7.359 1.00 . A A . 73 TYR C 1 1
3 3725 1 1 73 TYR CA C -2.409 0.757 7.897 1.00 . A A . 73 TYR CA 1 1
3 3726 1 1 73 TYR CB C -1.730 1.055 9.228 1.00 . A A . 73 TYR CB 1 1
3 3727 1 1 73 TYR CD1 C -2.180 -1.105 10.440 1.00 . A A . 73 TYR CD1 1 1
3 3728 1 1 73 TYR CD2 C -3.245 0.923 11.235 1.00 . A A . 73 TYR CD2 1 1
3 3729 1 1 73 TYR CE1 C -2.802 -1.833 11.461 1.00 . A A . 73 TYR CE1 1 1
3 3730 1 1 73 TYR CE2 C -3.868 0.195 12.256 1.00 . A A . 73 TYR CE2 1 1
3 3731 1 1 73 TYR CG C -2.402 0.272 10.327 1.00 . A A . 73 TYR CG 1 1
3 3732 1 1 73 TYR CZ C -3.646 -1.183 12.370 1.00 . A A . 73 TYR CZ 1 1
3 3733 1 1 73 TYR H H -1.003 -0.668 7.129 1.00 . A A . 73 TYR H 1 1
3 3734 1 1 73 TYR HA H -3.168 0.007 8.052 1.00 . A A . 73 TYR HA 1 1
3 3735 1 1 73 TYR HB2 H -0.689 0.773 9.170 1.00 . A A . 73 TYR HB2 1 1
3 3736 1 1 73 TYR HB3 H -1.803 2.104 9.432 1.00 . A A . 73 TYR HB3 1 1
3 3737 1 1 73 TYR HD1 H -1.529 -1.607 9.738 1.00 . A A . 73 TYR HD1 1 1
3 3738 1 1 73 TYR HD2 H -3.415 1.985 11.147 1.00 . A A . 73 TYR HD2 1 1
3 3739 1 1 73 TYR HE1 H -2.630 -2.896 11.548 1.00 . A A . 73 TYR HE1 1 1
3 3740 1 1 73 TYR HE2 H -4.519 0.696 12.957 1.00 . A A . 73 TYR HE2 1 1
3 3741 1 1 73 TYR HH H -5.006 -2.370 12.993 1.00 . A A . 73 TYR HH 1 1
3 3742 1 1 73 TYR N N -1.373 0.220 6.958 1.00 . A A . 73 TYR N 1 1
3 3743 1 1 73 TYR O O -4.163 2.009 6.840 1.00 . A A . 73 TYR O 1 1
3 3744 1 1 73 TYR OH O -4.260 -1.901 13.376 1.00 . A A . 73 TYR OH 1 1
3 3745 1 1 74 VAL C C -2.624 4.641 5.511 1.00 . A A . 74 VAL C 1 1
3 3746 1 1 74 VAL CA C -2.995 4.433 6.987 1.00 . A A . 74 VAL CA 1 1
3 3747 1 1 74 VAL CB C -2.462 5.599 7.825 1.00 . A A . 74 VAL CB 1 1
3 3748 1 1 74 VAL CG1 C -3.479 6.741 7.807 1.00 . A A . 74 VAL CG1 1 1
3 3749 1 1 74 VAL CG2 C -2.249 5.135 9.267 1.00 . A A . 74 VAL CG2 1 1
3 3750 1 1 74 VAL H H -1.520 3.159 7.911 1.00 . A A . 74 VAL H 1 1
3 3751 1 1 74 VAL HA H -4.070 4.389 7.081 1.00 . A A . 74 VAL HA 1 1
3 3752 1 1 74 VAL HB H -1.525 5.944 7.411 1.00 . A A . 74 VAL HB 1 1
3 3753 1 1 74 VAL HG11 H -4.199 6.570 7.020 1.00 . A A . 74 VAL HG11 1 1
3 3754 1 1 74 VAL HG12 H -3.990 6.785 8.758 1.00 . A A . 74 VAL HG12 1 1
3 3755 1 1 74 VAL HG13 H -2.968 7.677 7.630 1.00 . A A . 74 VAL HG13 1 1
3 3756 1 1 74 VAL HG21 H -3.028 4.439 9.540 1.00 . A A . 74 VAL HG21 1 1
3 3757 1 1 74 VAL HG22 H -1.287 4.651 9.353 1.00 . A A . 74 VAL HG22 1 1
3 3758 1 1 74 VAL HG23 H -2.281 5.988 9.930 1.00 . A A . 74 VAL HG23 1 1
3 3759 1 1 74 VAL N N -2.403 3.157 7.486 1.00 . A A . 74 VAL N 1 1
3 3760 1 1 74 VAL O O -2.597 3.707 4.733 1.00 . A A . 74 VAL O 1 1
3 3761 1 1 75 LEU C C -0.490 5.872 3.490 1.00 . A A . 75 LEU C 1 1
3 3762 1 1 75 LEU CA C -1.988 6.110 3.687 1.00 . A A . 75 LEU CA 1 1
3 3763 1 1 75 LEU CB C -2.320 7.561 3.329 1.00 . A A . 75 LEU CB 1 1
3 3764 1 1 75 LEU CD1 C -4.450 7.410 4.639 1.00 . A A . 75 LEU CD1 1 1
3 3765 1 1 75 LEU CD2 C -4.151 9.214 2.939 1.00 . A A . 75 LEU CD2 1 1
3 3766 1 1 75 LEU CG C -3.839 7.754 3.279 1.00 . A A . 75 LEU CG 1 1
3 3767 1 1 75 LEU H H -2.379 6.600 5.747 1.00 . A A . 75 LEU H 1 1
3 3768 1 1 75 LEU HA H -2.547 5.442 3.054 1.00 . A A . 75 LEU HA 1 1
3 3769 1 1 75 LEU HB2 H -1.899 8.219 4.075 1.00 . A A . 75 LEU HB2 1 1
3 3770 1 1 75 LEU HB3 H -1.899 7.797 2.363 1.00 . A A . 75 LEU HB3 1 1
3 3771 1 1 75 LEU HD11 H -3.834 7.820 5.426 1.00 . A A . 75 LEU HD11 1 1
3 3772 1 1 75 LEU HD12 H -5.443 7.830 4.704 1.00 . A A . 75 LEU HD12 1 1
3 3773 1 1 75 LEU HD13 H -4.506 6.337 4.748 1.00 . A A . 75 LEU HD13 1 1
3 3774 1 1 75 LEU HD21 H -3.702 9.466 1.990 1.00 . A A . 75 LEU HD21 1 1
3 3775 1 1 75 LEU HD22 H -5.220 9.349 2.880 1.00 . A A . 75 LEU HD22 1 1
3 3776 1 1 75 LEU HD23 H -3.748 9.856 3.708 1.00 . A A . 75 LEU HD23 1 1
3 3777 1 1 75 LEU HG H -4.260 7.109 2.522 1.00 . A A . 75 LEU HG 1 1
3 3778 1 1 75 LEU N N -2.346 5.856 5.113 1.00 . A A . 75 LEU N 1 1
3 3779 1 1 75 LEU O O 0.321 6.752 3.704 1.00 . A A . 75 LEU O 1 1
3 3780 1 1 76 THR C C 1.767 4.562 1.451 1.00 . A A . 76 THR C 1 1
3 3781 1 1 76 THR CA C 1.340 4.398 2.917 1.00 . A A . 76 THR CA 1 1
3 3782 1 1 76 THR CB C 1.635 2.971 3.388 1.00 . A A . 76 THR CB 1 1
3 3783 1 1 76 THR CG2 C 1.368 1.972 2.260 1.00 . A A . 76 THR CG2 1 1
3 3784 1 1 76 THR H H -0.776 3.982 2.947 1.00 . A A . 76 THR H 1 1
3 3785 1 1 76 THR HA H 1.908 5.082 3.522 1.00 . A A . 76 THR HA 1 1
3 3786 1 1 76 THR HB H 1.004 2.736 4.230 1.00 . A A . 76 THR HB 1 1
3 3787 1 1 76 THR HG1 H 3.509 3.449 3.197 1.00 . A A . 76 THR HG1 1 1
3 3788 1 1 76 THR HG21 H 0.765 2.443 1.498 1.00 . A A . 76 THR HG21 1 1
3 3789 1 1 76 THR HG22 H 2.306 1.661 1.833 1.00 . A A . 76 THR HG22 1 1
3 3790 1 1 76 THR HG23 H 0.847 1.112 2.650 1.00 . A A . 76 THR HG23 1 1
3 3791 1 1 76 THR N N -0.110 4.685 3.103 1.00 . A A . 76 THR N 1 1
3 3792 1 1 76 THR O O 2.890 4.259 1.096 1.00 . A A . 76 THR O 1 1
3 3793 1 1 76 THR OG1 O 2.996 2.887 3.781 1.00 . A A . 76 THR OG1 1 1
3 3794 1 1 77 CYS C C 1.979 6.525 -1.062 1.00 . A A . 77 CYS C 1 1
3 3795 1 1 77 CYS CA C 1.305 5.166 -0.840 1.00 . A A . 77 CYS CA 1 1
3 3796 1 1 77 CYS CB C 0.078 4.986 -1.763 1.00 . A A . 77 CYS CB 1 1
3 3797 1 1 77 CYS H H -0.008 5.253 0.874 1.00 . A A . 77 CYS H 1 1
3 3798 1 1 77 CYS HA H 2.022 4.391 -1.069 1.00 . A A . 77 CYS HA 1 1
3 3799 1 1 77 CYS HB2 H 0.402 4.564 -2.701 1.00 . A A . 77 CYS HB2 1 1
3 3800 1 1 77 CYS HB3 H -0.617 4.306 -1.293 1.00 . A A . 77 CYS HB3 1 1
3 3801 1 1 77 CYS N N 0.900 5.019 0.588 1.00 . A A . 77 CYS N 1 1
3 3802 1 1 77 CYS O O 2.076 7.007 -2.174 1.00 . A A . 77 CYS O 1 1
3 3803 1 1 77 CYS SG S -0.758 6.566 -2.087 1.00 . A A . 77 CYS SG 1 1
3 3804 1 1 78 VAL C C 4.624 8.333 -0.092 1.00 . A A . 78 VAL C 1 1
3 3805 1 1 78 VAL CA C 3.097 8.478 -0.162 1.00 . A A . 78 VAL CA 1 1
3 3806 1 1 78 VAL CB C 2.618 9.404 0.953 1.00 . A A . 78 VAL CB 1 1
3 3807 1 1 78 VAL CG1 C 2.956 10.853 0.599 1.00 . A A . 78 VAL CG1 1 1
3 3808 1 1 78 VAL CG2 C 1.103 9.255 1.107 1.00 . A A . 78 VAL CG2 1 1
3 3809 1 1 78 VAL H H 2.348 6.747 0.878 1.00 . A A . 78 VAL H 1 1
3 3810 1 1 78 VAL HA H 2.824 8.903 -1.116 1.00 . A A . 78 VAL HA 1 1
3 3811 1 1 78 VAL HB H 3.104 9.136 1.880 1.00 . A A . 78 VAL HB 1 1
3 3812 1 1 78 VAL HG11 H 3.019 10.956 -0.474 1.00 . A A . 78 VAL HG11 1 1
3 3813 1 1 78 VAL HG12 H 2.184 11.506 0.979 1.00 . A A . 78 VAL HG12 1 1
3 3814 1 1 78 VAL HG13 H 3.903 11.120 1.043 1.00 . A A . 78 VAL HG13 1 1
3 3815 1 1 78 VAL HG21 H 0.845 8.207 1.124 1.00 . A A . 78 VAL HG21 1 1
3 3816 1 1 78 VAL HG22 H 0.787 9.719 2.026 1.00 . A A . 78 VAL HG22 1 1
3 3817 1 1 78 VAL HG23 H 0.609 9.733 0.273 1.00 . A A . 78 VAL HG23 1 1
3 3818 1 1 78 VAL N N 2.440 7.150 -0.010 1.00 . A A . 78 VAL N 1 1
3 3819 1 1 78 VAL O O 5.327 9.299 0.134 1.00 . A A . 78 VAL O 1 1
3 3820 1 1 79 ALA C C 7.116 6.764 1.168 1.00 . A A . 79 ALA C 1 1
3 3821 1 1 79 ALA CA C 6.618 6.940 -0.272 1.00 . A A . 79 ALA CA 1 1
3 3822 1 1 79 ALA CB C 7.311 8.147 -0.907 1.00 . A A . 79 ALA CB 1 1
3 3823 1 1 79 ALA H H 4.552 6.389 -0.490 1.00 . A A . 79 ALA H 1 1
3 3824 1 1 79 ALA HA H 6.863 6.055 -0.842 1.00 . A A . 79 ALA HA 1 1
3 3825 1 1 79 ALA HB1 H 6.630 8.634 -1.588 1.00 . A A . 79 ALA HB1 1 1
3 3826 1 1 79 ALA HB2 H 7.605 8.840 -0.133 1.00 . A A . 79 ALA HB2 1 1
3 3827 1 1 79 ALA HB3 H 8.186 7.816 -1.447 1.00 . A A . 79 ALA HB3 1 1
3 3828 1 1 79 ALA N N 5.138 7.145 -0.300 1.00 . A A . 79 ALA N 1 1
3 3829 1 1 79 ALA O O 6.901 7.603 2.020 1.00 . A A . 79 ALA O 1 1
3 3830 1 1 80 TYR C C 9.398 4.315 2.660 1.00 . A A . 80 TYR C 1 1
3 3831 1 1 80 TYR CA C 8.360 5.434 2.794 1.00 . A A . 80 TYR CA 1 1
3 3832 1 1 80 TYR CB C 7.221 5.037 3.736 1.00 . A A . 80 TYR CB 1 1
3 3833 1 1 80 TYR CD1 C 7.598 7.259 4.871 1.00 . A A . 80 TYR CD1 1 1
3 3834 1 1 80 TYR CD2 C 7.029 5.343 6.241 1.00 . A A . 80 TYR CD2 1 1
3 3835 1 1 80 TYR CE1 C 7.654 8.063 6.017 1.00 . A A . 80 TYR CE1 1 1
3 3836 1 1 80 TYR CE2 C 7.085 6.148 7.384 1.00 . A A . 80 TYR CE2 1 1
3 3837 1 1 80 TYR CG C 7.285 5.898 4.982 1.00 . A A . 80 TYR CG 1 1
3 3838 1 1 80 TYR CZ C 7.398 7.507 7.273 1.00 . A A . 80 TYR CZ 1 1
3 3839 1 1 80 TYR H H 7.983 5.030 0.722 1.00 . A A . 80 TYR H 1 1
3 3840 1 1 80 TYR HA H 8.840 6.325 3.150 1.00 . A A . 80 TYR HA 1 1
3 3841 1 1 80 TYR HB2 H 6.275 5.199 3.239 1.00 . A A . 80 TYR HB2 1 1
3 3842 1 1 80 TYR HB3 H 7.311 3.998 4.003 1.00 . A A . 80 TYR HB3 1 1
3 3843 1 1 80 TYR HD1 H 7.798 7.690 3.902 1.00 . A A . 80 TYR HD1 1 1
3 3844 1 1 80 TYR HD2 H 6.789 4.294 6.330 1.00 . A A . 80 TYR HD2 1 1
3 3845 1 1 80 TYR HE1 H 7.896 9.111 5.928 1.00 . A A . 80 TYR HE1 1 1
3 3846 1 1 80 TYR HE2 H 6.889 5.721 8.352 1.00 . A A . 80 TYR HE2 1 1
3 3847 1 1 80 TYR HH H 6.627 8.791 8.458 1.00 . A A . 80 TYR HH 1 1
3 3848 1 1 80 TYR N N 7.808 5.682 1.432 1.00 . A A . 80 TYR N 1 1
3 3849 1 1 80 TYR O O 9.776 3.998 1.564 1.00 . A A . 80 TYR O 1 1
3 3850 1 1 80 TYR OH O 7.451 8.300 8.401 1.00 . A A . 80 TYR OH 1 1
3 3851 1 1 81 PRO C C 10.086 1.407 3.097 1.00 . A A . 81 PRO C 1 1
3 3852 1 1 81 PRO CA C 10.816 2.633 3.655 1.00 . A A . 81 PRO CA 1 1
3 3853 1 1 81 PRO CB C 11.253 2.390 5.104 1.00 . A A . 81 PRO CB 1 1
3 3854 1 1 81 PRO CD C 9.458 4.117 5.108 1.00 . A A . 81 PRO CD 1 1
3 3855 1 1 81 PRO CG C 10.426 3.339 6.009 1.00 . A A . 81 PRO CG 1 1
3 3856 1 1 81 PRO HA H 11.658 2.903 3.040 1.00 . A A . 81 PRO HA 1 1
3 3857 1 1 81 PRO HB2 H 11.060 1.363 5.372 1.00 . A A . 81 PRO HB2 1 1
3 3858 1 1 81 PRO HB3 H 12.301 2.610 5.216 1.00 . A A . 81 PRO HB3 1 1
3 3859 1 1 81 PRO HD2 H 8.447 3.813 5.316 1.00 . A A . 81 PRO HD2 1 1
3 3860 1 1 81 PRO HD3 H 9.576 5.181 5.249 1.00 . A A . 81 PRO HD3 1 1
3 3861 1 1 81 PRO HG2 H 9.870 2.760 6.731 1.00 . A A . 81 PRO HG2 1 1
3 3862 1 1 81 PRO HG3 H 11.083 4.028 6.517 1.00 . A A . 81 PRO HG3 1 1
3 3863 1 1 81 PRO N N 9.842 3.734 3.742 1.00 . A A . 81 PRO N 1 1
3 3864 1 1 81 PRO O O 9.326 0.771 3.800 1.00 . A A . 81 PRO O 1 1
3 3865 1 1 82 THR C C 10.066 -1.385 1.822 1.00 . A A . 82 THR C 1 1
3 3866 1 1 82 THR CA C 9.492 -0.074 1.297 1.00 . A A . 82 THR CA 1 1
3 3867 1 1 82 THR CB C 9.529 -0.092 -0.235 1.00 . A A . 82 THR CB 1 1
3 3868 1 1 82 THR CG2 C 10.855 0.472 -0.745 1.00 . A A . 82 THR CG2 1 1
3 3869 1 1 82 THR H H 10.836 1.613 1.247 1.00 . A A . 82 THR H 1 1
3 3870 1 1 82 THR HA H 8.464 0.016 1.617 1.00 . A A . 82 THR HA 1 1
3 3871 1 1 82 THR HB H 8.720 0.492 -0.622 1.00 . A A . 82 THR HB 1 1
3 3872 1 1 82 THR HG1 H 8.479 -1.702 -0.477 1.00 . A A . 82 THR HG1 1 1
3 3873 1 1 82 THR HG21 H 11.588 0.445 0.048 1.00 . A A . 82 THR HG21 1 1
3 3874 1 1 82 THR HG22 H 11.204 -0.123 -1.574 1.00 . A A . 82 THR HG22 1 1
3 3875 1 1 82 THR HG23 H 10.709 1.490 -1.068 1.00 . A A . 82 THR HG23 1 1
3 3876 1 1 82 THR N N 10.253 1.083 1.838 1.00 . A A . 82 THR N 1 1
3 3877 1 1 82 THR O O 9.670 -1.876 2.860 1.00 . A A . 82 THR O 1 1
3 3878 1 1 82 THR OG1 O 9.374 -1.424 -0.681 1.00 . A A . 82 THR OG1 1 1
3 3879 1 1 83 SER C C 10.568 -4.389 1.141 1.00 . A A . 83 SER C 1 1
3 3880 1 1 83 SER CA C 11.551 -3.274 1.509 1.00 . A A . 83 SER CA 1 1
3 3881 1 1 83 SER CB C 11.788 -3.279 3.020 1.00 . A A . 83 SER CB 1 1
3 3882 1 1 83 SER H H 11.254 -1.573 0.243 1.00 . A A . 83 SER H 1 1
3 3883 1 1 83 SER HA H 12.488 -3.434 0.996 1.00 . A A . 83 SER HA 1 1
3 3884 1 1 83 SER HB2 H 10.864 -3.497 3.530 1.00 . A A . 83 SER HB2 1 1
3 3885 1 1 83 SER HB3 H 12.520 -4.037 3.266 1.00 . A A . 83 SER HB3 1 1
3 3886 1 1 83 SER HG H 11.982 -1.860 4.337 1.00 . A A . 83 SER HG 1 1
3 3887 1 1 83 SER N N 10.972 -1.975 1.087 1.00 . A A . 83 SER N 1 1
3 3888 1 1 83 SER O O 10.886 -5.554 1.259 1.00 . A A . 83 SER O 1 1
3 3889 1 1 83 SER OG O 12.256 -1.999 3.427 1.00 . A A . 83 SER OG 1 1
3 3890 1 1 84 ASP C C 6.967 -4.463 0.556 1.00 . A A . 84 ASP C 1 1
3 3891 1 1 84 ASP CA C 8.353 -5.054 0.306 1.00 . A A . 84 ASP CA 1 1
3 3892 1 1 84 ASP CB C 8.500 -6.327 1.150 1.00 . A A . 84 ASP CB 1 1
3 3893 1 1 84 ASP CG C 8.626 -5.951 2.628 1.00 . A A . 84 ASP CG 1 1
3 3894 1 1 84 ASP H H 9.153 -3.071 0.595 1.00 . A A . 84 ASP H 1 1
3 3895 1 1 84 ASP HA H 8.458 -5.297 -0.744 1.00 . A A . 84 ASP HA 1 1
3 3896 1 1 84 ASP HB2 H 7.627 -6.948 1.012 1.00 . A A . 84 ASP HB2 1 1
3 3897 1 1 84 ASP HB3 H 9.378 -6.871 0.839 1.00 . A A . 84 ASP HB3 1 1
3 3898 1 1 84 ASP N N 9.378 -4.031 0.690 1.00 . A A . 84 ASP N 1 1
3 3899 1 1 84 ASP O O 6.766 -3.707 1.485 1.00 . A A . 84 ASP O 1 1
3 3900 1 1 84 ASP OD1 O 7.640 -5.506 3.191 1.00 . A A . 84 ASP OD1 1 1
3 3901 1 1 84 ASP OD2 O 9.705 -6.119 3.174 1.00 . A A . 84 ASP OD2 1 1
3 3902 1 1 85 CYS C C 3.730 -5.299 0.569 1.00 . A A . 85 CYS C 1 1
3 3903 1 1 85 CYS CA C 4.652 -4.238 -0.058 1.00 . A A . 85 CYS CA 1 1
3 3904 1 1 85 CYS CB C 4.093 -3.741 -1.396 1.00 . A A . 85 CYS CB 1 1
3 3905 1 1 85 CYS H H 6.186 -5.392 -1.004 1.00 . A A . 85 CYS H 1 1
3 3906 1 1 85 CYS HA H 4.731 -3.409 0.614 1.00 . A A . 85 CYS HA 1 1
3 3907 1 1 85 CYS HB2 H 4.724 -4.081 -2.201 1.00 . A A . 85 CYS HB2 1 1
3 3908 1 1 85 CYS HB3 H 3.093 -4.115 -1.539 1.00 . A A . 85 CYS HB3 1 1
3 3909 1 1 85 CYS HG H 4.946 -1.625 -1.161 1.00 . A A . 85 CYS HG 1 1
3 3910 1 1 85 CYS N N 6.010 -4.793 -0.262 1.00 . A A . 85 CYS N 1 1
3 3911 1 1 85 CYS O O 4.187 -6.248 1.173 1.00 . A A . 85 CYS O 1 1
3 3912 1 1 85 CYS SG S 4.064 -1.933 -1.387 1.00 . A A . 85 CYS SG 1 1
3 3913 1 1 86 THR C C 0.139 -5.309 1.136 1.00 . A A . 86 THR C 1 1
3 3914 1 1 86 THR CA C 1.453 -6.070 1.050 1.00 . A A . 86 THR CA 1 1
3 3915 1 1 86 THR CB C 1.886 -6.489 2.463 1.00 . A A . 86 THR CB 1 1
3 3916 1 1 86 THR CG2 C 2.457 -7.907 2.430 1.00 . A A . 86 THR CG2 1 1
3 3917 1 1 86 THR H H 2.096 -4.340 -0.022 1.00 . A A . 86 THR H 1 1
3 3918 1 1 86 THR HA H 1.336 -6.937 0.418 1.00 . A A . 86 THR HA 1 1
3 3919 1 1 86 THR HB H 1.028 -6.471 3.116 1.00 . A A . 86 THR HB 1 1
3 3920 1 1 86 THR HG1 H 2.414 -4.892 3.440 1.00 . A A . 86 THR HG1 1 1
3 3921 1 1 86 THR HG21 H 2.034 -8.447 1.597 1.00 . A A . 86 THR HG21 1 1
3 3922 1 1 86 THR HG22 H 3.531 -7.863 2.325 1.00 . A A . 86 THR HG22 1 1
3 3923 1 1 86 THR HG23 H 2.207 -8.415 3.351 1.00 . A A . 86 THR HG23 1 1
3 3924 1 1 86 THR N N 2.437 -5.122 0.452 1.00 . A A . 86 THR N 1 1
3 3925 1 1 86 THR O O 0.076 -4.253 1.732 1.00 . A A . 86 THR O 1 1
3 3926 1 1 86 THR OG1 O 2.867 -5.585 2.954 1.00 . A A . 86 THR OG1 1 1
3 3927 1 1 87 ILE C C -3.351 -5.815 0.070 1.00 . A A . 87 ILE C 1 1
3 3928 1 1 87 ILE CA C -2.160 -4.996 0.579 1.00 . A A . 87 ILE CA 1 1
3 3929 1 1 87 ILE CB C -1.959 -3.721 -0.275 1.00 . A A . 87 ILE CB 1 1
3 3930 1 1 87 ILE CD1 C -4.044 -2.416 0.261 1.00 . A A . 87 ILE CD1 1 1
3 3931 1 1 87 ILE CG1 C -3.292 -3.188 -0.821 1.00 . A A . 87 ILE CG1 1 1
3 3932 1 1 87 ILE CG2 C -1.036 -4.039 -1.445 1.00 . A A . 87 ILE CG2 1 1
3 3933 1 1 87 ILE H H -0.850 -6.622 0.013 1.00 . A A . 87 ILE H 1 1
3 3934 1 1 87 ILE HA H -2.348 -4.710 1.599 1.00 . A A . 87 ILE HA 1 1
3 3935 1 1 87 ILE HB H -1.490 -2.959 0.323 1.00 . A A . 87 ILE HB 1 1
3 3936 1 1 87 ILE HD11 H -3.495 -2.458 1.186 1.00 . A A . 87 ILE HD11 1 1
3 3937 1 1 87 ILE HD12 H -4.156 -1.386 -0.046 1.00 . A A . 87 ILE HD12 1 1
3 3938 1 1 87 ILE HD13 H -5.016 -2.857 0.401 1.00 . A A . 87 ILE HD13 1 1
3 3939 1 1 87 ILE HG12 H -3.097 -2.529 -1.651 1.00 . A A . 87 ILE HG12 1 1
3 3940 1 1 87 ILE HG13 H -3.894 -4.007 -1.153 1.00 . A A . 87 ILE HG13 1 1
3 3941 1 1 87 ILE HG21 H -0.086 -4.390 -1.067 1.00 . A A . 87 ILE HG21 1 1
3 3942 1 1 87 ILE HG22 H -1.485 -4.805 -2.058 1.00 . A A . 87 ILE HG22 1 1
3 3943 1 1 87 ILE HG23 H -0.883 -3.147 -2.033 1.00 . A A . 87 ILE HG23 1 1
3 3944 1 1 87 ILE N N -0.902 -5.785 0.523 1.00 . A A . 87 ILE N 1 1
3 3945 1 1 87 ILE O O -3.201 -6.823 -0.608 1.00 . A A . 87 ILE O 1 1
3 3946 1 1 88 GLU C C -6.435 -6.617 1.284 1.00 . A A . 88 GLU C 1 1
3 3947 1 1 88 GLU CA C -5.822 -5.970 0.038 1.00 . A A . 88 GLU CA 1 1
3 3948 1 1 88 GLU CB C -5.613 -6.976 -1.080 1.00 . A A . 88 GLU CB 1 1
3 3949 1 1 88 GLU CD C -6.319 -7.200 -3.465 1.00 . A A . 88 GLU CD 1 1
3 3950 1 1 88 GLU CG C -6.788 -6.911 -2.033 1.00 . A A . 88 GLU CG 1 1
3 3951 1 1 88 GLU H H -4.561 -4.545 0.961 1.00 . A A . 88 GLU H 1 1
3 3952 1 1 88 GLU HA H -6.490 -5.192 -0.308 1.00 . A A . 88 GLU HA 1 1
3 3953 1 1 88 GLU HB2 H -4.723 -6.719 -1.620 1.00 . A A . 88 GLU HB2 1 1
3 3954 1 1 88 GLU HB3 H -5.523 -7.965 -0.669 1.00 . A A . 88 GLU HB3 1 1
3 3955 1 1 88 GLU HG2 H -7.515 -7.635 -1.737 1.00 . A A . 88 GLU HG2 1 1
3 3956 1 1 88 GLU HG3 H -7.225 -5.924 -1.993 1.00 . A A . 88 GLU HG3 1 1
3 3957 1 1 88 GLU N N -4.532 -5.343 0.421 1.00 . A A . 88 GLU N 1 1
3 3958 1 1 88 GLU O O -6.441 -6.018 2.345 1.00 . A A . 88 GLU O 1 1
3 3959 1 1 88 GLU OE1 O -5.176 -7.583 -3.629 1.00 . A A . 88 GLU OE1 1 1
3 3960 1 1 88 GLU OE2 O -7.115 -7.040 -4.374 1.00 . A A . 88 GLU OE2 1 1
3 3961 1 1 89 THR C C -6.479 -9.187 3.183 1.00 . A A . 89 THR C 1 1
3 3962 1 1 89 THR CA C -7.559 -8.430 2.406 1.00 . A A . 89 THR CA 1 1
3 3963 1 1 89 THR CB C -8.683 -9.384 1.998 1.00 . A A . 89 THR CB 1 1
3 3964 1 1 89 THR CG2 C -8.102 -10.610 1.288 1.00 . A A . 89 THR CG2 1 1
3 3965 1 1 89 THR H H -6.966 -8.288 0.334 1.00 . A A . 89 THR H 1 1
3 3966 1 1 89 THR HA H -7.966 -7.652 3.035 1.00 . A A . 89 THR HA 1 1
3 3967 1 1 89 THR HB H -9.356 -8.869 1.331 1.00 . A A . 89 THR HB 1 1
3 3968 1 1 89 THR HG1 H -9.665 -10.710 3.031 1.00 . A A . 89 THR HG1 1 1
3 3969 1 1 89 THR HG21 H -7.231 -10.319 0.721 1.00 . A A . 89 THR HG21 1 1
3 3970 1 1 89 THR HG22 H -7.826 -11.354 2.020 1.00 . A A . 89 THR HG22 1 1
3 3971 1 1 89 THR HG23 H -8.843 -11.026 0.622 1.00 . A A . 89 THR HG23 1 1
3 3972 1 1 89 THR N N -6.960 -7.809 1.191 1.00 . A A . 89 THR N 1 1
3 3973 1 1 89 THR O O -6.478 -10.398 3.261 1.00 . A A . 89 THR O 1 1
3 3974 1 1 89 THR OG1 O -9.392 -9.798 3.159 1.00 . A A . 89 THR OG1 1 1
3 3975 1 1 90 HIS C C -5.031 -9.623 5.882 1.00 . A A . 90 HIS C 1 1
3 3976 1 1 90 HIS CA C -4.473 -9.138 4.542 1.00 . A A . 90 HIS CA 1 1
3 3977 1 1 90 HIS CB C -3.343 -8.137 4.790 1.00 . A A . 90 HIS CB 1 1
3 3978 1 1 90 HIS CD2 C -1.092 -9.478 4.984 1.00 . A A . 90 HIS CD2 1 1
3 3979 1 1 90 HIS CE1 C -0.966 -9.574 7.145 1.00 . A A . 90 HIS CE1 1 1
3 3980 1 1 90 HIS CG C -2.197 -8.829 5.475 1.00 . A A . 90 HIS CG 1 1
3 3981 1 1 90 HIS H H -5.576 -7.496 3.693 1.00 . A A . 90 HIS H 1 1
3 3982 1 1 90 HIS HA H -4.094 -9.980 3.984 1.00 . A A . 90 HIS HA 1 1
3 3983 1 1 90 HIS HB2 H -3.007 -7.735 3.846 1.00 . A A . 90 HIS HB2 1 1
3 3984 1 1 90 HIS HB3 H -3.704 -7.335 5.415 1.00 . A A . 90 HIS HB3 1 1
3 3985 1 1 90 HIS HD1 H -2.734 -8.534 7.503 1.00 . A A . 90 HIS HD1 1 1
3 3986 1 1 90 HIS HD2 H -0.859 -9.606 3.938 1.00 . A A . 90 HIS HD2 1 1
3 3987 1 1 90 HIS HE1 H -0.627 -9.784 8.148 1.00 . A A . 90 HIS HE1 1 1
3 3988 1 1 90 HIS N N -5.556 -8.473 3.765 1.00 . A A . 90 HIS N 1 1
3 3989 1 1 90 HIS ND1 N -2.097 -8.903 6.856 1.00 . A A . 90 HIS ND1 1 1
3 3990 1 1 90 HIS NE2 N -0.316 -9.947 6.040 1.00 . A A . 90 HIS NE2 1 1
3 3991 1 1 90 HIS O O -4.797 -10.742 6.294 1.00 . A A . 90 HIS O 1 1
3 3992 1 1 91 LYS C C -7.234 -8.092 8.421 1.00 . A A . 91 LYS C 1 1
3 3993 1 1 91 LYS CA C -6.336 -9.205 7.880 1.00 . A A . 91 LYS CA 1 1
3 3994 1 1 91 LYS CB C -5.201 -9.469 8.870 1.00 . A A . 91 LYS CB 1 1
3 3995 1 1 91 LYS CD C -6.480 -11.375 9.855 1.00 . A A . 91 LYS CD 1 1
3 3996 1 1 91 LYS CE C -6.194 -12.377 10.974 1.00 . A A . 91 LYS CE 1 1
3 3997 1 1 91 LYS CG C -5.776 -10.052 10.162 1.00 . A A . 91 LYS CG 1 1
3 3998 1 1 91 LYS H H -5.942 -7.892 6.219 1.00 . A A . 91 LYS H 1 1
3 3999 1 1 91 LYS HA H -6.918 -10.106 7.751 1.00 . A A . 91 LYS HA 1 1
3 4000 1 1 91 LYS HB2 H -4.502 -10.171 8.438 1.00 . A A . 91 LYS HB2 1 1
3 4001 1 1 91 LYS HB3 H -4.691 -8.543 9.092 1.00 . A A . 91 LYS HB3 1 1
3 4002 1 1 91 LYS HD2 H -7.545 -11.207 9.784 1.00 . A A . 91 LYS HD2 1 1
3 4003 1 1 91 LYS HD3 H -6.114 -11.770 8.920 1.00 . A A . 91 LYS HD3 1 1
3 4004 1 1 91 LYS HE2 H -5.337 -12.980 10.709 1.00 . A A . 91 LYS HE2 1 1
3 4005 1 1 91 LYS HE3 H -5.987 -11.845 11.891 1.00 . A A . 91 LYS HE3 1 1
3 4006 1 1 91 LYS HG2 H -4.975 -10.224 10.867 1.00 . A A . 91 LYS HG2 1 1
3 4007 1 1 91 LYS HG3 H -6.485 -9.358 10.586 1.00 . A A . 91 LYS HG3 1 1
3 4008 1 1 91 LYS HZ1 H -7.949 -13.269 10.299 1.00 . A A . 91 LYS HZ1 1 1
3 4009 1 1 91 LYS HZ2 H -7.061 -14.227 11.381 1.00 . A A . 91 LYS HZ2 1 1
3 4010 1 1 91 LYS HZ3 H -7.954 -12.899 11.958 1.00 . A A . 91 LYS HZ3 1 1
3 4011 1 1 91 LYS N N -5.766 -8.790 6.568 1.00 . A A . 91 LYS N 1 1
3 4012 1 1 91 LYS NZ N -7.379 -13.259 11.168 1.00 . A A . 91 LYS NZ 1 1
3 4013 1 1 91 LYS O O -6.784 -7.200 9.113 1.00 . A A . 91 LYS O 1 1
3 4014 1 1 92 GLU C C -10.164 -7.603 9.850 1.00 . A A . 92 GLU C 1 1
3 4015 1 1 92 GLU CA C -9.426 -7.084 8.615 1.00 . A A . 92 GLU CA 1 1
3 4016 1 1 92 GLU CB C -10.437 -6.729 7.523 1.00 . A A . 92 GLU CB 1 1
3 4017 1 1 92 GLU CD C -10.069 -7.370 5.136 1.00 . A A . 92 GLU CD 1 1
3 4018 1 1 92 GLU CG C -9.693 -6.374 6.235 1.00 . A A . 92 GLU CG 1 1
3 4019 1 1 92 GLU H H -8.843 -8.867 7.557 1.00 . A A . 92 GLU H 1 1
3 4020 1 1 92 GLU HA H -8.858 -6.203 8.880 1.00 . A A . 92 GLU HA 1 1
3 4021 1 1 92 GLU HB2 H -11.086 -7.575 7.346 1.00 . A A . 92 GLU HB2 1 1
3 4022 1 1 92 GLU HB3 H -11.028 -5.883 7.840 1.00 . A A . 92 GLU HB3 1 1
3 4023 1 1 92 GLU HG2 H -9.965 -5.375 5.927 1.00 . A A . 92 GLU HG2 1 1
3 4024 1 1 92 GLU HG3 H -8.628 -6.420 6.410 1.00 . A A . 92 GLU HG3 1 1
3 4025 1 1 92 GLU N N -8.500 -8.137 8.115 1.00 . A A . 92 GLU N 1 1
3 4026 1 1 92 GLU O O -11.127 -7.016 10.302 1.00 . A A . 92 GLU O 1 1
3 4027 1 1 92 GLU OE1 O -10.088 -8.556 5.419 1.00 . A A . 92 GLU OE1 1 1
3 4028 1 1 92 GLU OE2 O -10.331 -6.929 4.029 1.00 . A A . 92 GLU OE2 1 1
3 4029 1 1 93 GLU C C -11.679 -9.980 11.187 1.00 . A A . 93 GLU C 1 1
3 4030 1 1 93 GLU CA C -10.391 -9.263 11.604 1.00 . A A . 93 GLU CA 1 1
3 4031 1 1 93 GLU CB C -10.723 -8.132 12.580 1.00 . A A . 93 GLU CB 1 1
3 4032 1 1 93 GLU CD C -9.586 -7.244 14.622 1.00 . A A . 93 GLU CD 1 1
3 4033 1 1 93 GLU CG C -10.195 -8.488 13.972 1.00 . A A . 93 GLU CG 1 1
3 4034 1 1 93 GLU H H -8.940 -9.158 10.015 1.00 . A A . 93 GLU H 1 1
3 4035 1 1 93 GLU HA H -9.730 -9.969 12.086 1.00 . A A . 93 GLU HA 1 1
3 4036 1 1 93 GLU HB2 H -10.259 -7.217 12.242 1.00 . A A . 93 GLU HB2 1 1
3 4037 1 1 93 GLU HB3 H -11.794 -7.998 12.626 1.00 . A A . 93 GLU HB3 1 1
3 4038 1 1 93 GLU HG2 H -11.009 -8.853 14.583 1.00 . A A . 93 GLU HG2 1 1
3 4039 1 1 93 GLU HG3 H -9.439 -9.253 13.886 1.00 . A A . 93 GLU HG3 1 1
3 4040 1 1 93 GLU N N -9.719 -8.702 10.398 1.00 . A A . 93 GLU N 1 1
3 4041 1 1 93 GLU O O -12.365 -10.564 12.002 1.00 . A A . 93 GLU O 1 1
3 4042 1 1 93 GLU OE1 O -9.214 -6.340 13.892 1.00 . A A . 93 GLU OE1 1 1
3 4043 1 1 93 GLU OE2 O -9.502 -7.216 15.839 1.00 . A A . 93 GLU OE2 1 1
3 4044 1 1 94 ASP C C -13.021 -11.122 8.035 1.00 . A A . 94 ASP C 1 1
3 4045 1 1 94 ASP CA C -13.240 -10.616 9.457 1.00 . A A . 94 ASP CA 1 1
3 4046 1 1 94 ASP CB C -14.397 -9.621 9.476 1.00 . A A . 94 ASP CB 1 1
3 4047 1 1 94 ASP CG C -15.535 -10.176 10.336 1.00 . A A . 94 ASP CG 1 1
3 4048 1 1 94 ASP H H -11.454 -9.475 9.287 1.00 . A A . 94 ASP H 1 1
3 4049 1 1 94 ASP HA H -13.456 -11.439 10.103 1.00 . A A . 94 ASP HA 1 1
3 4050 1 1 94 ASP HB2 H -14.052 -8.685 9.889 1.00 . A A . 94 ASP HB2 1 1
3 4051 1 1 94 ASP HB3 H -14.752 -9.462 8.469 1.00 . A A . 94 ASP HB3 1 1
3 4052 1 1 94 ASP N N -12.011 -9.943 9.926 1.00 . A A . 94 ASP N 1 1
3 4053 1 1 94 ASP O O -13.079 -12.307 7.771 1.00 . A A . 94 ASP O 1 1
3 4054 1 1 94 ASP OD1 O -16.375 -10.873 9.791 1.00 . A A . 94 ASP OD1 1 1
3 4055 1 1 94 ASP OD2 O -15.547 -9.894 11.522 1.00 . A A . 94 ASP OD2 1 1
3 4056 1 1 95 LEU C C -12.563 -9.409 4.809 1.00 . A A . 95 LEU C 1 1
3 4057 1 1 95 LEU CA C -12.540 -10.645 5.710 1.00 . A A . 95 LEU CA 1 1
3 4058 1 1 95 LEU CB C -13.646 -11.611 5.281 1.00 . A A . 95 LEU CB 1 1
3 4059 1 1 95 LEU CD1 C -12.345 -12.532 3.359 1.00 . A A . 95 LEU CD1 1 1
3 4060 1 1 95 LEU CD2 C -14.841 -12.595 3.320 1.00 . A A . 95 LEU CD2 1 1
3 4061 1 1 95 LEU CG C -13.618 -11.788 3.762 1.00 . A A . 95 LEU CG 1 1
3 4062 1 1 95 LEU H H -12.725 -9.283 7.367 1.00 . A A . 95 LEU H 1 1
3 4063 1 1 95 LEU HA H -11.581 -11.133 5.626 1.00 . A A . 95 LEU HA 1 1
3 4064 1 1 95 LEU HB2 H -13.490 -12.568 5.756 1.00 . A A . 95 LEU HB2 1 1
3 4065 1 1 95 LEU HB3 H -14.604 -11.212 5.579 1.00 . A A . 95 LEU HB3 1 1
3 4066 1 1 95 LEU HD11 H -12.003 -13.135 4.188 1.00 . A A . 95 LEU HD11 1 1
3 4067 1 1 95 LEU HD12 H -12.553 -13.170 2.512 1.00 . A A . 95 LEU HD12 1 1
3 4068 1 1 95 LEU HD13 H -11.578 -11.819 3.092 1.00 . A A . 95 LEU HD13 1 1
3 4069 1 1 95 LEU HD21 H -14.923 -13.485 3.926 1.00 . A A . 95 LEU HD21 1 1
3 4070 1 1 95 LEU HD22 H -15.731 -11.995 3.441 1.00 . A A . 95 LEU HD22 1 1
3 4071 1 1 95 LEU HD23 H -14.732 -12.874 2.283 1.00 . A A . 95 LEU HD23 1 1
3 4072 1 1 95 LEU HG H -13.634 -10.817 3.286 1.00 . A A . 95 LEU HG 1 1
3 4073 1 1 95 LEU N N -12.767 -10.230 7.121 1.00 . A A . 95 LEU N 1 1
3 4074 1 1 95 LEU O O -11.841 -9.322 3.837 1.00 . A A . 95 LEU O 1 1
3 4075 1 1 96 TYR C C -13.802 -6.033 5.200 1.00 . A A . 96 TYR C 1 1
3 4076 1 1 96 TYR CA C -13.468 -7.227 4.303 1.00 . A A . 96 TYR CA 1 1
3 4077 1 1 96 TYR CB C -14.560 -7.402 3.248 1.00 . A A . 96 TYR CB 1 1
3 4078 1 1 96 TYR CD1 C -15.828 -5.233 3.176 1.00 . A A . 96 TYR CD1 1 1
3 4079 1 1 96 TYR CD2 C -14.212 -5.701 1.431 1.00 . A A . 96 TYR CD2 1 1
3 4080 1 1 96 TYR CE1 C -16.125 -4.007 2.574 1.00 . A A . 96 TYR CE1 1 1
3 4081 1 1 96 TYR CE2 C -14.507 -4.475 0.829 1.00 . A A . 96 TYR CE2 1 1
3 4082 1 1 96 TYR CG C -14.872 -6.079 2.605 1.00 . A A . 96 TYR CG 1 1
3 4083 1 1 96 TYR CZ C -15.465 -3.626 1.399 1.00 . A A . 96 TYR CZ 1 1
3 4084 1 1 96 TYR H H -13.957 -8.541 5.908 1.00 . A A . 96 TYR H 1 1
3 4085 1 1 96 TYR HA H -12.524 -7.067 3.826 1.00 . A A . 96 TYR HA 1 1
3 4086 1 1 96 TYR HB2 H -14.221 -8.095 2.492 1.00 . A A . 96 TYR HB2 1 1
3 4087 1 1 96 TYR HB3 H -15.450 -7.789 3.719 1.00 . A A . 96 TYR HB3 1 1
3 4088 1 1 96 TYR HD1 H -16.336 -5.528 4.082 1.00 . A A . 96 TYR HD1 1 1
3 4089 1 1 96 TYR HD2 H -13.474 -6.355 0.991 1.00 . A A . 96 TYR HD2 1 1
3 4090 1 1 96 TYR HE1 H -16.864 -3.358 3.016 1.00 . A A . 96 TYR HE1 1 1
3 4091 1 1 96 TYR HE2 H -13.998 -4.185 -0.077 1.00 . A A . 96 TYR HE2 1 1
3 4092 1 1 96 TYR HH H -14.935 -2.027 0.499 1.00 . A A . 96 TYR HH 1 1
3 4093 1 1 96 TYR N N -13.389 -8.452 5.128 1.00 . A A . 96 TYR N 1 1
3 4094 1 1 96 TYR O O -14.380 -6.250 6.252 1.00 . A A . 96 TYR O 1 1
3 4095 1 1 96 TYR OXT O -13.474 -4.921 4.819 1.00 . A A . 96 TYR OXT 1 1
3 4096 1 1 96 TYR OH O -15.759 -2.416 0.803 1.00 . A A . 96 TYR OH 1 1
3 4097 2 2 1 FES FE1 FE -3.396 9.515 -1.980 1.00 . B A . 97 FES FE1 1 1
3 4098 2 2 1 FES FE2 FE -2.595 7.195 -0.877 1.00 . B A . 97 FES FE2 1 1
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