Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
633206 | 6e5j RC | 30498 | cing | 4-filtered-FRED | STAR | entry | full | 364 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6e5j
# This FRED archive file contains, for PDB entry <6e5j>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389–396.
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.PDB_coordinate_file_version .
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_6e5j
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6e5j
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 3291.81
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 $Designed_peptide_NC_HEE_D1__Aib_turn__beta3_helix__N_methyl_hairp A . 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
1 1 ASN 1 ASN 1 1
1 1 ASP 2 ASP 1 1
1 1 B3K 3 B3K 1 1
1 1 CYS 4 CYS 1 1
1 1 LYS 5 LYS 1 1
1 1 B3E 6 B3E 1 1
1 1 LEU 7 LEU 1 1
1 1 LYS 8 LYS 1 1
1 1 B3K 9 B3K 1 1
1 1 ARG 10 ARG 1 1
1 1 TYR 11 TYR 1 1
1 1 ABA 12 ABA 1 1
1 1 GLY 13 GLY 1 1
1 1 CYS 14 CYS 1 1
1 1 GLU 15 GLU 1 1
1 1 MVA 16 MVA 1 1
1 1 ARG 17 ARG 1 1
1 1 CYS 18 CYS 1 1
1 1 ASP 19 ASP 1 1
1 1 DPR 20 DPR 1 1
1 1 PRO 21 PRO 1 1
1 1 ARG 22 ARG 1 1
1 1 TYR 23 TYR 1 1
1 1 GLU 24 GLU 1 1
1 1 MVA 25 MVA 1 1
1 1 HIS 26 HIS 1 1
1 1 CYS 27 CYS 1 1
1 1 NH2 28 NH2 1 1
stop_
save_
save_Designed_peptide_NC_HEE_D1__Aib_turn__beta3_helix__N_methyl_hairp
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Designed peptide NC HEE D1 Aib turn beta3 helix N methyl hairp"
_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 ASN . 1 1
2 ASP . 1 1
3 B3K $B3K 1 1
4 CYS . 1 1
5 LYS . 1 1
6 B3E $B3E 1 1
7 LEU . 1 1
8 LYS . 1 1
9 B3K $B3K 1 1
10 ARG . 1 1
11 TYR . 1 1
12 ABA $ABA 1 1
13 GLY . 1 1
14 CYS . 1 1
15 GLU . 1 1
16 MVA $MVA 1 1
17 ARG . 1 1
18 CYS . 1 1
19 ASP . 1 1
20 DPR $DPR 1 1
21 PRO . 1 1
22 ARG . 1 1
23 TYR . 1 1
24 GLU . 1 1
25 MVA $MVA 1 1
26 HIS . 1 1
27 CYS . 1 1
28 NH2 $NH2 1 1
stop_
save_
save_B3E
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID B3E
_Chem_comp.Type non-polymer
save_
save_MVA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID MVA
_Chem_comp.Type non-polymer
save_
save_B3K
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID B3K
_Chem_comp.Type non-polymer
save_
save_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID NH2
_Chem_comp.Type non-polymer
save_
save_DPR
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID DPR
_Chem_comp.Type non-polymer
save_
save_ABA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ABA
_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 2 . OR 1 1
1 2 . 3 . 1 1
1 3 . . . 1 1
2 1 . . . 1 1
3 1 2 . OR 1 1
3 2 . 3 . 1 1
3 3 . . . 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 2 . OR 1 1
19 2 . 3 . 1 1
19 3 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 2 . OR 1 1
22 2 . 3 . 1 1
22 3 . . . 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 2 . OR 1 1
30 2 . 3 . 1 1
30 3 . . . 1 1
31 1 . . . 1 1
32 1 2 . OR 1 1
32 2 . 3 . 1 1
32 3 . . . 1 1
33 1 . . . 1 1
34 1 2 . OR 1 1
34 2 . 3 . 1 1
34 3 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 2 . OR 1 1
38 2 . 3 . 1 1
38 3 . . . 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
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 2 1 1 1 15 GLU H . 15 . HN 1 1
1 2 1 1 1 18 CYS H . 18 . HN 1 1
1 2 2 1 1 16 MVA HG11 . 16 . HG11 1 1
1 3 1 1 1 15 GLU H . 15 . HN 1 1
1 3 2 1 1 25 MVA HG21 . 25 . HG21 1 1
2 1 1 1 1 14 CYS H . 14 . HN 1 1
2 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
2 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
3 2 1 1 1 16 MVA HB . 16 . HB 1 1
3 2 2 1 1 16 MVA HG11 . 16 . HG11 1 1
3 3 1 1 1 16 MVA HB . 16 . HB 1 1
3 3 1 1 1 25 MVA HB . 25 . HB 1 1
3 3 2 1 1 25 MVA HG21 . 25 . HG21 1 1
4 1 1 1 1 11 TYR H . 11 . HN 1 1
4 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
4 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
5 1 1 1 1 16 MVA HG11 . 16 . HG11 1 1
5 1 1 1 1 25 MVA HG21 . 25 . HG21 1 1
5 1 2 1 1 17 ARG H . 17 . HN 1 1
6 1 1 1 1 7 LEU QD . 7 . HD11 1 1
6 1 1 1 1 16 MVA HG11 . 16 . HG11 1 1
6 1 2 1 1 8 LYS H . 8 . HN 1 1
7 1 1 1 1 7 LEU QD . 7 . HD11 1 1
7 1 2 1 1 8 LYS H . 8 . HN 1 1
8 1 1 1 1 16 MVA HB . 16 . HB 1 1
8 1 1 1 1 25 MVA HB . 25 . HB 1 1
8 1 2 1 1 16 MVA HG21 . 16 . HG21 1 1
9 1 1 1 1 8 LYS HG3 . 8 . HG2 1 1
9 1 1 1 1 17 ARG HG3 . 17 . HG1 1 1
9 1 2 1 1 18 CYS H . 18 . HN 1 1
10 1 1 1 1 8 LYS HB2 . 8 . HB1 1 1
10 1 1 1 1 17 ARG HB2 . 17 . HB1 1 1
10 1 2 1 1 18 CYS H . 18 . HN 1 1
11 1 1 1 1 7 LEU HB3 . 7 . HB2 1 1
11 1 1 1 1 8 LYS HB2 . 8 . HB1 1 1
11 1 2 1 1 8 LYS H . 8 . HN 1 1
12 1 1 1 1 16 MVA HB . 16 . HB 1 1
12 1 1 1 1 25 MVA HB . 25 . HB 1 1
12 1 2 1 1 17 ARG H . 17 . HN 1 1
13 1 1 1 1 19 ASP H . 19 . HN 1 1
13 1 2 1 1 20 DPR HB3 . 20 . HB2 1 1
13 1 2 1 1 24 GLU QG . 24 . HG1 1 1
14 1 1 1 1 14 CYS QB . 14 . HB1 1 1
14 1 1 1 1 15 GLU HG2 . 15 . HG2 1 1
14 1 2 1 1 26 HIS H . 26 . HN 1 1
15 1 1 1 1 14 CYS QB . 14 . HB1 1 1
15 1 1 1 1 15 GLU HG2 . 15 . HG2 1 1
15 1 2 1 1 15 GLU H . 15 . HN 1 1
16 1 1 1 1 11 TYR HB2 . 11 . HB1 1 1
16 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
16 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
17 1 1 1 1 10 ARG H . 10 . HN 1 1
17 1 1 1 1 14 CYS H . 14 . HN 1 1
17 1 2 1 1 11 TYR HB2 . 11 . HB1 1 1
18 1 1 1 1 8 LYS H . 8 . HN 1 1
18 1 2 1 1 11 TYR HB2 . 11 . HB1 1 1
18 1 2 1 1 23 TYR QB . 23 . HB1 1 1
19 2 1 1 1 2 ASP QB . 2 . HB1 1 1
19 2 2 1 1 3 B3K HB . 3 . HB 1 1
19 3 1 1 1 8 LYS HA . 8 . HA 1 1
19 3 2 1 1 11 TYR HB2 . 11 . HB1 1 1
20 1 1 1 1 4 CYS H . 4 . HN 1 1
20 1 2 1 1 5 LYS QE . 5 . HE1 1 1
20 1 2 1 1 18 CYS QB . 18 . HB1 1 1
21 1 1 1 1 11 TYR HB3 . 11 . HB2 1 1
21 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
21 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
22 2 1 1 1 15 GLU H . 15 . HN 1 1
22 2 2 1 1 26 HIS HB3 . 26 . HB1 1 1
22 3 1 1 1 17 ARG QD . 17 . HD1 1 1
22 3 2 1 1 18 CYS H . 18 . HN 1 1
23 1 1 1 1 17 ARG H . 17 . HN 1 1
23 1 2 1 1 18 CYS QB . 18 . HB2 1 1
23 1 2 1 1 26 HIS HB2 . 26 . HB2 1 1
24 1 1 1 1 5 LYS HA . 5 . HA 1 1
24 1 1 1 1 8 LYS HA . 8 . HA 1 1
24 1 2 1 1 18 CYS QB . 18 . HB2 1 1
25 1 1 1 1 8 LYS HA . 8 . HA 1 1
25 1 1 1 1 10 ARG HA . 10 . HA 1 1
25 1 2 1 1 11 TYR QD . 11 . HD1 1 1
26 1 1 1 1 4 CYS HA . 4 . HA 1 1
26 1 2 1 1 5 LYS H . 5 . HN 1 1
26 1 2 1 1 7 LEU H . 7 . HN 1 1
27 1 1 1 1 20 DPR HB2 . 20 . HB1 1 1
27 1 1 1 1 21 PRO HG2 . 21 . HG1 1 1
27 1 2 1 1 21 PRO HA . 21 . HA 1 1
28 1 1 1 1 16 MVA HB . 16 . HB 1 1
28 1 1 1 1 25 MVA HB . 25 . HB 1 1
28 1 2 1 1 25 MVA HA . 25 . HA 1 1
29 1 1 1 1 25 MVA HA . 25 . HA 1 1
29 1 1 1 1 26 HIS HA . 26 . HA 1 1
29 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
30 2 1 1 1 18 CYS HA . 18 . HA 1 1
30 2 2 1 1 18 CYS QB . 18 . HB2 1 1
30 3 1 1 1 26 HIS HA . 26 . HA 1 1
30 3 2 1 1 26 HIS HB2 . 26 . HB2 1 1
31 1 1 1 1 16 MVA HA . 16 . HA 1 1
31 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
31 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
32 2 1 1 1 16 MVA HA . 16 . HA 1 1
32 2 2 1 1 26 HIS HB2 . 26 . HB2 1 1
32 3 1 1 1 18 CYS QB . 18 . HB2 1 1
32 3 2 1 1 23 TYR HA . 23 . HA 1 1
33 1 1 1 1 19 ASP HA . 19 . HA 1 1
33 1 1 1 1 23 TYR HA . 23 . HA 1 1
33 1 2 1 1 22 ARG H . 22 . HN 1 1
34 2 1 1 1 19 ASP HA . 19 . HA 1 1
34 2 2 1 1 20 DPR HG3 . 20 . HG2 1 1
34 3 1 1 1 24 GLU HA . 24 . HA 1 1
34 3 2 1 1 25 MVA HB . 25 . HB 1 1
35 1 1 1 1 19 ASP HA . 19 . HA 1 1
35 1 1 1 1 24 GLU HA . 24 . HA 1 1
35 1 2 1 1 23 TYR QD . 23 . HD1 1 1
36 1 1 1 1 5 LYS H . 5 . HN 1 1
36 1 1 1 1 7 LEU H . 7 . HN 1 1
36 1 2 1 1 23 TYR QE . 23 . HE1 1 1
37 1 1 1 1 10 ARG H . 10 . HN 1 1
37 1 1 1 1 14 CYS H . 14 . HN 1 1
37 1 2 1 1 12 ABA H . 12 . HN 1 1
38 2 1 1 1 3 B3K HB . 3 . HB 1 1
38 2 2 1 1 7 LEU H . 7 . HN 1 1
38 3 1 1 1 5 LYS H . 5 . HN 1 1
38 3 2 1 1 5 LYS HA . 5 . HA 1 1
39 1 1 1 1 6 B3E HB . 6 . HB 1 1
39 1 1 1 1 7 LEU HA . 7 . HA 1 1
39 1 2 1 1 7 LEU H . 7 . HN 1 1
40 1 1 1 1 24 GLU H . 24 . HN 1 1
40 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
41 1 1 1 1 11 TYR QE . 11 . HE1 1 1
41 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
42 1 1 1 1 17 ARG H . 17 . HN 1 1
42 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
43 1 1 1 1 25 MVA HB . 25 . HB 1 1
43 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
44 1 1 1 1 25 MVA HG11 . 25 . HG11 1 1
44 1 2 1 1 26 HIS H . 26 . HN 1 1
45 1 1 1 1 11 TYR QD . 11 . HD1 1 1
45 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
46 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
46 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
47 1 1 1 1 25 MVA HG11 . 25 . HG11 1 1
47 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
48 1 1 1 1 25 MVA HG21 . 25 . HG21 1 1
48 1 2 1 1 27 CYS H . 27 . HN 1 1
49 1 1 1 1 25 MVA HG21 . 25 . HG21 1 1
49 1 2 1 1 26 HIS H . 26 . HN 1 1
50 1 1 1 1 11 TYR QD . 11 . HD1 1 1
50 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
51 1 1 1 1 11 TYR QE . 11 . HE1 1 1
51 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
52 1 1 1 1 9 B3K HB . 9 . HB 1 1
52 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
53 1 1 1 1 8 LYS HA . 8 . HA 1 1
53 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
54 1 1 1 1 7 LEU HA . 7 . HA 1 1
54 1 2 1 1 7 LEU QD . 7 . HD11 1 1
55 1 1 1 1 16 MVA HG11 . 16 . HG11 1 1
55 1 2 1 1 16 MVA HG21 . 16 . HG21 1 1
56 1 1 1 1 7 LEU QD . 7 . HD11 1 1
56 1 2 1 1 23 TYR QD . 23 . HD1 1 1
57 1 1 1 1 7 LEU QD . 7 . HD11 1 1
57 1 2 1 1 23 TYR QE . 23 . HE1 1 1
58 1 1 1 1 7 LEU H . 7 . HN 1 1
58 1 2 1 1 7 LEU QD . 7 . HD11 1 1
59 1 1 1 1 7 LEU QD . 7 . HD21 1 1
59 1 2 1 1 11 TYR QE . 11 . HE1 1 1
60 1 1 1 1 7 LEU QD . 7 . HD21 1 1
60 1 2 1 1 11 TYR QD . 11 . HD1 1 1
61 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
61 1 2 1 1 17 ARG H . 17 . HN 1 1
62 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
62 1 2 1 1 24 GLU H . 24 . HN 1 1
63 1 1 1 1 10 ARG HA . 10 . HA 1 1
63 1 2 1 1 10 ARG HG2 . 10 . HG1 1 1
64 1 1 1 1 10 ARG HE . 10 . HE 1 1
64 1 2 1 1 10 ARG HG2 . 10 . HG1 1 1
65 1 1 1 1 10 ARG H . 10 . HN 1 1
65 1 2 1 1 10 ARG HG2 . 10 . HG1 1 1
66 1 1 1 1 10 ARG HA . 10 . HA 1 1
66 1 2 1 1 10 ARG HG3 . 10 . HG2 1 1
67 1 1 1 1 10 ARG H . 10 . HN 1 1
67 1 2 1 1 10 ARG HG3 . 10 . HG2 1 1
68 1 1 1 1 10 ARG HE . 10 . HE 1 1
68 1 2 1 1 10 ARG HG3 . 10 . HG2 1 1
69 1 1 1 1 8 LYS H . 8 . HN 1 1
69 1 2 1 1 8 LYS HG2 . 8 . HG1 1 1
70 1 1 1 1 5 LYS H . 5 . HN 1 1
70 1 2 1 1 5 LYS HG2 . 5 . HG1 1 1
71 1 1 1 1 7 LEU H . 7 . HN 1 1
71 1 2 1 1 7 LEU HG . 7 . HG 1 1
72 1 1 1 1 7 LEU HG . 7 . HG 1 1
72 1 2 1 1 11 TYR QE . 11 . HE1 1 1
73 1 1 1 1 10 ARG HB2 . 10 . HB1 1 1
73 1 2 1 1 11 TYR H . 11 . HN 1 1
74 1 1 1 1 10 ARG H . 10 . HN 1 1
74 1 2 1 1 10 ARG HB2 . 10 . HB1 1 1
75 1 1 1 1 10 ARG HB2 . 10 . HB1 1 1
75 1 2 1 1 11 TYR QE . 11 . HE1 1 1
76 1 1 1 1 10 ARG HB2 . 10 . HB1 1 1
76 1 2 1 1 11 TYR QD . 11 . HD1 1 1
77 1 1 1 1 17 ARG HE . 17 . HE 1 1
77 1 2 1 1 17 ARG HG3 . 17 . HG1 1 1
78 1 1 1 1 17 ARG H . 17 . HN 1 1
78 1 2 1 1 17 ARG HG3 . 17 . HG1 1 1
79 1 1 1 1 17 ARG HG3 . 17 . HG1 1 1
79 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
80 1 1 1 1 7 LEU H . 7 . HN 1 1
80 1 2 1 1 7 LEU HB2 . 7 . HB1 1 1
81 1 1 1 1 7 LEU HB2 . 7 . HB1 1 1
81 1 2 1 1 8 LYS H . 8 . HN 1 1
82 1 1 1 1 22 ARG H . 22 . HN 1 1
82 1 2 1 1 22 ARG QG . 22 . HG1 1 1
83 1 1 1 1 22 ARG QD . 22 . HD1 1 1
83 1 2 1 1 22 ARG QG . 22 . HG1 1 1
84 1 1 1 1 17 ARG HG2 . 17 . HG2 1 1
84 1 2 1 1 18 CYS H . 18 . HN 1 1
85 1 1 1 1 22 ARG QG . 22 . HG1 1 1
85 1 2 1 1 23 TYR H . 23 . HN 1 1
86 1 1 1 1 17 ARG QD . 17 . HD1 1 1
86 1 2 1 1 17 ARG HG2 . 17 . HG2 1 1
87 1 1 1 1 17 ARG HE . 17 . HE 1 1
87 1 2 1 1 17 ARG HG2 . 17 . HG2 1 1
88 1 1 1 1 22 ARG HE . 22 . HE 1 1
88 1 2 1 1 22 ARG QG . 22 . HG1 1 1
89 1 1 1 1 17 ARG H . 17 . HN 1 1
89 1 2 1 1 17 ARG HG2 . 17 . HG2 1 1
90 1 1 1 1 10 ARG HB3 . 10 . HB2 1 1
90 1 2 1 1 11 TYR H . 11 . HN 1 1
91 1 1 1 1 10 ARG H . 10 . HN 1 1
91 1 2 1 1 10 ARG HB3 . 10 . HB2 1 1
92 1 1 1 1 10 ARG HB3 . 10 . HB2 1 1
92 1 2 1 1 10 ARG HE . 10 . HE 1 1
93 1 1 1 1 5 LYS H . 5 . HN 1 1
93 1 2 1 1 5 LYS QD . 5 . HD1 1 1
94 1 1 1 1 17 ARG HB2 . 17 . HB1 1 1
94 1 2 1 1 17 ARG QD . 17 . HD1 1 1
95 1 1 1 1 17 ARG H . 17 . HN 1 1
95 1 2 1 1 17 ARG HB2 . 17 . HB1 1 1
96 1 1 1 1 17 ARG HB2 . 17 . HB1 1 1
96 1 2 1 1 24 GLU H . 24 . HN 1 1
97 1 1 1 1 7 LEU HB3 . 7 . HB2 1 1
97 1 2 1 1 11 TYR QD . 11 . HD1 1 1
98 1 1 1 1 7 LEU H . 7 . HN 1 1
98 1 2 1 1 7 LEU HB3 . 7 . HB2 1 1
99 1 1 1 1 5 LYS H . 5 . HN 1 1
99 1 2 1 1 5 LYS HB2 . 5 . HB1 1 1
100 1 1 1 1 5 LYS H . 5 . HN 1 1
100 1 2 1 1 5 LYS HB3 . 5 . HB2 1 1
101 1 1 1 1 8 LYS H . 8 . HN 1 1
101 1 2 1 1 8 LYS HB3 . 8 . HB2 1 1
102 1 1 1 1 17 ARG HB3 . 17 . HB2 1 1
102 1 2 1 1 18 CYS H . 18 . HN 1 1
103 1 1 1 1 17 ARG HB3 . 17 . HB2 1 1
103 1 2 1 1 17 ARG QD . 17 . HD1 1 1
104 1 1 1 1 17 ARG H . 17 . HN 1 1
104 1 2 1 1 17 ARG HB3 . 17 . HB2 1 1
105 1 1 1 1 22 ARG QB . 22 . HB1 1 1
105 1 2 1 1 22 ARG HE . 22 . HE 1 1
106 1 1 1 1 22 ARG QB . 22 . HB1 1 1
106 1 2 1 1 23 TYR H . 23 . HN 1 1
107 1 1 1 1 19 ASP H . 19 . HN 1 1
107 1 2 1 1 22 ARG QB . 22 . HB1 1 1
108 1 1 1 1 22 ARG H . 22 . HN 1 1
108 1 2 1 1 22 ARG QB . 22 . HB1 1 1
109 1 1 1 1 22 ARG QB . 22 . HB1 1 1
109 1 2 1 1 22 ARG QD . 22 . HD1 1 1
110 1 1 1 1 24 GLU H . 24 . HN 1 1
110 1 2 1 1 24 GLU HB2 . 24 . HB1 1 1
111 1 1 1 1 21 PRO HD3 . 21 . HD2 1 1
111 1 2 1 1 21 PRO HG2 . 21 . HG1 1 1
112 1 1 1 1 21 PRO HD2 . 21 . HD1 1 1
112 1 2 1 1 21 PRO HG2 . 21 . HG1 1 1
113 1 1 1 1 20 DPR HB2 . 20 . HB1 1 1
113 1 2 1 1 20 DPR HD2 . 20 . HD1 1 1
114 1 1 1 1 20 DPR HB2 . 20 . HB1 1 1
114 1 2 1 1 20 DPR HD3 . 20 . HD2 1 1
115 1 1 1 1 17 ARG H . 17 . HN 1 1
115 1 2 1 1 24 GLU HB3 . 24 . HB2 1 1
116 1 1 1 1 24 GLU H . 24 . HN 1 1
116 1 2 1 1 24 GLU HB3 . 24 . HB2 1 1
117 1 1 1 1 24 GLU HB3 . 24 . HB2 1 1
117 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
118 1 1 1 1 20 DPR HD3 . 20 . HD2 1 1
118 1 2 1 1 20 DPR HG2 . 20 . HG1 1 1
119 1 1 1 1 20 DPR HD2 . 20 . HD1 1 1
119 1 2 1 1 20 DPR HG2 . 20 . HG1 1 1
120 1 1 1 1 21 PRO HD2 . 21 . HD1 1 1
120 1 2 1 1 21 PRO HG3 . 21 . HG2 1 1
121 1 1 1 1 21 PRO HD3 . 21 . HD2 1 1
121 1 2 1 1 21 PRO HG3 . 21 . HG2 1 1
122 1 1 1 1 21 PRO HG3 . 21 . HG2 1 1
122 1 2 1 1 22 ARG H . 22 . HN 1 1
123 1 1 1 1 15 GLU H . 15 . HN 1 1
123 1 2 1 1 15 GLU QB . 15 . HB1 1 1
124 1 1 1 1 15 GLU QB . 15 . HB1 1 1
124 1 2 1 1 26 HIS H . 26 . HN 1 1
125 1 1 1 1 20 DPR HD3 . 20 . HD2 1 1
125 1 2 1 1 20 DPR HG3 . 20 . HG2 1 1
126 1 1 1 1 20 DPR HD2 . 20 . HD1 1 1
126 1 2 1 1 20 DPR HG3 . 20 . HG2 1 1
127 1 1 1 1 8 LYS HA . 8 . HA 1 1
127 1 2 1 1 16 MVA HB . 16 . HB 1 1
128 1 1 1 1 21 PRO QB . 21 . HB1 1 1
128 1 2 1 1 21 PRO HD2 . 21 . HD1 1 1
129 1 1 1 1 21 PRO QB . 21 . HB1 1 1
129 1 2 1 1 22 ARG H . 22 . HN 1 1
130 1 1 1 1 21 PRO QB . 21 . HB1 1 1
130 1 2 1 1 21 PRO HD3 . 21 . HD2 1 1
131 1 1 1 1 20 DPR HB3 . 20 . HB2 1 1
131 1 2 1 1 20 DPR HD2 . 20 . HD1 1 1
132 1 1 1 1 20 DPR HB3 . 20 . HB2 1 1
132 1 2 1 1 20 DPR HD3 . 20 . HD2 1 1
133 1 1 1 1 24 GLU H . 24 . HN 1 1
133 1 2 1 1 24 GLU QG . 24 . HG1 1 1
134 1 1 1 1 20 DPR HB3 . 20 . HB2 1 1
134 1 2 1 1 21 PRO HD2 . 21 . HD1 1 1
135 1 1 1 1 20 DPR HB3 . 20 . HB2 1 1
135 1 2 1 1 21 PRO HD3 . 21 . HD2 1 1
136 1 1 1 1 15 GLU H . 15 . HN 1 1
136 1 2 1 1 15 GLU HG3 . 15 . HG1 1 1
137 1 1 1 1 15 GLU HG3 . 15 . HG1 1 1
137 1 2 1 1 26 HIS HB2 . 26 . HB2 1 1
138 1 1 1 1 14 CYS H . 14 . HN 1 1
138 1 2 1 1 14 CYS QB . 14 . HB1 1 1
139 1 1 1 1 14 CYS QB . 14 . HB1 1 1
139 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
140 1 1 1 1 14 CYS QB . 14 . HB1 1 1
140 1 2 1 1 27 CYS H . 27 . HN 1 1
141 1 1 1 1 19 ASP H . 19 . HN 1 1
141 1 2 1 1 19 ASP HB2 . 19 . HB1 1 1
142 1 1 1 1 19 ASP HB2 . 19 . HB1 1 1
142 1 2 1 1 20 DPR HD3 . 20 . HD2 1 1
143 1 1 1 1 19 ASP HB3 . 19 . HB2 1 1
143 1 2 1 1 20 DPR HD3 . 20 . HD2 1 1
144 1 1 1 1 11 TYR HB2 . 11 . HB1 1 1
144 1 2 1 1 11 TYR QD . 11 . HD1 1 1
145 1 1 1 1 11 TYR H . 11 . HN 1 1
145 1 2 1 1 11 TYR HB2 . 11 . HB1 1 1
146 1 1 1 1 2 ASP H . 2 . HN 1 1
146 1 2 1 1 2 ASP QB . 2 . HB1 1 1
147 1 1 1 1 11 TYR HB2 . 11 . HB1 1 1
147 1 2 1 1 14 CYS QB . 14 . HB2 1 1
148 1 1 1 1 19 ASP H . 19 . HN 1 1
148 1 2 1 1 19 ASP HB3 . 19 . HB2 1 1
149 1 1 1 1 19 ASP HB3 . 19 . HB2 1 1
149 1 2 1 1 22 ARG H . 22 . HN 1 1
150 1 1 1 1 7 LEU QD . 7 . HD11 1 1
150 1 2 1 1 23 TYR QB . 23 . HB1 1 1
151 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
151 1 2 1 1 23 TYR QB . 23 . HB1 1 1
152 1 1 1 1 23 TYR QB . 23 . HB1 1 1
152 1 2 1 1 23 TYR QD . 23 . HD1 1 1
153 1 1 1 1 23 TYR QB . 23 . HB1 1 1
153 1 2 1 1 23 TYR QE . 23 . HE1 1 1
154 1 1 1 1 23 TYR H . 23 . HN 1 1
154 1 2 1 1 23 TYR QB . 23 . HB1 1 1
155 1 1 1 1 23 TYR QB . 23 . HB1 1 1
155 1 2 1 1 24 GLU H . 24 . HN 1 1
156 1 1 1 1 23 TYR QB . 23 . HB1 1 1
156 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
157 1 1 1 1 4 CYS QB . 4 . HB1 1 1
157 1 2 1 1 18 CYS QB . 18 . HB2 1 1
158 1 1 1 1 4 CYS H . 4 . HN 1 1
158 1 2 1 1 4 CYS QB . 4 . HB1 1 1
159 1 1 1 1 4 CYS QB . 4 . HB1 1 1
159 1 2 1 1 5 LYS H . 5 . HN 1 1
160 1 1 1 1 4 CYS QB . 4 . HB1 1 1
160 1 2 1 1 18 CYS H . 18 . HN 1 1
161 1 1 1 1 4 CYS QB . 4 . HB1 1 1
161 1 2 1 1 23 TYR QE . 23 . HE1 1 1
162 1 1 1 1 27 CYS H . 27 . HN 1 1
162 1 2 1 1 27 CYS HB2 . 27 . HB1 1 1
163 1 1 1 1 18 CYS QB . 18 . HB1 1 1
163 1 2 1 1 20 DPR HD2 . 20 . HD1 1 1
164 1 1 1 1 18 CYS QB . 18 . HB1 1 1
164 1 2 1 1 19 ASP H . 19 . HN 1 1
165 1 1 1 1 18 CYS H . 18 . HN 1 1
165 1 2 1 1 18 CYS QB . 18 . HB1 1 1
166 1 1 1 1 1 ASN QB . 1 . HB1 1 1
166 1 2 1 1 2 ASP H . 2 . HN 1 1
167 1 1 1 1 10 ARG H . 10 . HN 1 1
167 1 2 1 1 10 ARG HD3 . 10 . HD2 1 1
168 1 1 1 1 1 ASN QB . 1 . HB1 1 1
168 1 2 1 1 1 ASN HD22 . 1 . HD22 1 1
169 1 1 1 1 11 TYR HB3 . 11 . HB2 1 1
169 1 2 1 1 11 TYR QD . 11 . HD1 1 1
170 1 1 1 1 11 TYR H . 11 . HN 1 1
170 1 2 1 1 11 TYR HB3 . 11 . HB2 1 1
171 1 1 1 1 11 TYR HB3 . 11 . HB2 1 1
171 1 2 1 1 14 CYS QB . 14 . HB2 1 1
172 1 1 1 1 11 TYR HB3 . 11 . HB2 1 1
172 1 2 1 1 14 CYS H . 14 . HN 1 1
173 1 1 1 1 26 HIS H . 26 . HN 1 1
173 1 2 1 1 26 HIS HB3 . 26 . HB1 1 1
174 1 1 1 1 17 ARG H . 17 . HN 1 1
174 1 2 1 1 17 ARG QD . 17 . HD1 1 1
175 1 1 1 1 26 HIS HB3 . 26 . HB1 1 1
175 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
176 1 1 1 1 26 HIS HB3 . 26 . HB1 1 1
176 1 2 1 1 27 CYS H . 27 . HN 1 1
177 1 1 1 1 27 CYS H . 27 . HN 1 1
177 1 2 1 1 27 CYS HB3 . 27 . HB2 1 1
178 1 1 1 1 22 ARG QD . 22 . HD1 1 1
178 1 2 1 1 23 TYR QE . 23 . HE1 1 1
179 1 1 1 1 22 ARG QD . 22 . HD1 1 1
179 1 2 1 1 23 TYR QD . 23 . HD1 1 1
180 1 1 1 1 26 HIS H . 26 . HN 1 1
180 1 2 1 1 26 HIS HB2 . 26 . HB2 1 1
181 1 1 1 1 26 HIS HB2 . 26 . HB2 1 1
181 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
182 1 1 1 1 26 HIS HB2 . 26 . HB2 1 1
182 1 2 1 1 27 CYS H . 27 . HN 1 1
183 1 1 1 1 18 CYS QB . 18 . HB2 1 1
183 1 2 1 1 23 TYR QE . 23 . HE1 1 1
184 1 1 1 1 18 CYS QB . 18 . HB2 1 1
184 1 2 1 1 23 TYR QD . 23 . HD1 1 1
185 1 1 1 1 15 GLU QB . 15 . HB1 1 1
185 1 2 1 1 26 HIS HB2 . 26 . HB2 1 1
186 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
186 1 2 1 1 18 CYS QB . 18 . HB2 1 1
187 1 1 1 1 14 CYS QB . 14 . HB2 1 1
187 1 2 1 1 15 GLU H . 15 . HN 1 1
188 1 1 1 1 11 TYR H . 11 . HN 1 1
188 1 2 1 1 14 CYS QB . 14 . HB2 1 1
189 1 1 1 1 14 CYS QB . 14 . HB2 1 1
189 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
190 1 1 1 1 14 CYS QB . 14 . HB2 1 1
190 1 2 1 1 26 HIS H . 26 . HN 1 1
191 1 1 1 1 11 TYR QD . 11 . HD1 1 1
191 1 2 1 1 14 CYS QB . 14 . HB2 1 1
192 1 1 1 1 19 ASP H . 19 . HN 1 1
192 1 2 1 1 20 DPR HD2 . 20 . HD1 1 1
193 1 1 1 1 20 DPR HD2 . 20 . HD1 1 1
193 1 2 1 1 20 DPR HD3 . 20 . HD2 1 1
194 1 1 1 1 21 PRO HD2 . 21 . HD1 1 1
194 1 2 1 1 22 ARG H . 22 . HN 1 1
195 1 1 1 1 19 ASP H . 19 . HN 1 1
195 1 2 1 1 20 DPR HD3 . 20 . HD2 1 1
196 1 1 1 1 13 GLY HA2 . 13 . HA1 1 1
196 1 2 1 1 14 CYS H . 14 . HN 1 1
197 1 1 1 1 13 GLY H . 13 . HN 1 1
197 1 2 1 1 13 GLY HA2 . 13 . HA1 1 1
198 1 1 1 1 21 PRO HD3 . 21 . HD2 1 1
198 1 2 1 1 22 ARG H . 22 . HN 1 1
199 1 1 1 1 13 GLY HA3 . 13 . HA2 1 1
199 1 2 1 1 14 CYS H . 14 . HN 1 1
200 1 1 1 1 13 GLY H . 13 . HN 1 1
200 1 2 1 1 13 GLY HA3 . 13 . HA2 1 1
201 1 1 1 1 10 ARG HA . 10 . HA 1 1
201 1 2 1 1 12 ABA H . 12 . HN 1 1
202 1 1 1 1 8 LYS H . 8 . HN 1 1
202 1 2 1 1 8 LYS HA . 8 . HA 1 1
203 1 1 1 1 7 LEU HA . 7 . HA 1 1
203 1 2 1 1 10 ARG H . 10 . HN 1 1
204 1 1 1 1 7 LEU HA . 7 . HA 1 1
204 1 2 1 1 8 LYS H . 8 . HN 1 1
205 1 1 1 1 7 LEU HA . 7 . HA 1 1
205 1 2 1 1 11 TYR QD . 11 . HD1 1 1
206 1 1 1 1 4 CYS HA . 4 . HA 1 1
206 1 2 1 1 23 TYR QD . 23 . HD1 1 1
207 1 1 1 1 4 CYS HA . 4 . HA 1 1
207 1 2 1 1 8 LYS HB2 . 8 . HB1 1 1
208 1 1 1 1 4 CYS HA . 4 . HA 1 1
208 1 2 1 1 4 CYS QB . 4 . HB1 1 1
209 1 1 1 1 4 CYS H . 4 . HN 1 1
209 1 2 1 1 4 CYS HA . 4 . HA 1 1
210 1 1 1 1 4 CYS HA . 4 . HA 1 1
210 1 2 1 1 23 TYR QE . 23 . HE1 1 1
211 1 1 1 1 1 ASN HA . 1 . HA 1 1
211 1 2 1 1 2 ASP H . 2 . HN 1 1
212 1 1 1 1 4 CYS HA . 4 . HA 1 1
212 1 2 1 1 7 LEU QD . 7 . HD11 1 1
213 1 1 1 1 22 ARG HA . 22 . HA 1 1
213 1 2 1 1 23 TYR QE . 23 . HE1 1 1
214 1 1 1 1 22 ARG HA . 22 . HA 1 1
214 1 2 1 1 23 TYR QD . 23 . HD1 1 1
215 1 1 1 1 22 ARG HA . 22 . HA 1 1
215 1 2 1 1 22 ARG QG . 22 . HG1 1 1
216 1 1 1 1 22 ARG HA . 22 . HA 1 1
216 1 2 1 1 22 ARG QB . 22 . HB1 1 1
217 1 1 1 1 22 ARG HA . 22 . HA 1 1
217 1 2 1 1 23 TYR H . 23 . HN 1 1
218 1 1 1 1 22 ARG H . 22 . HN 1 1
218 1 2 1 1 22 ARG HA . 22 . HA 1 1
219 1 1 1 1 22 ARG HA . 22 . HA 1 1
219 1 2 1 1 23 TYR QB . 23 . HB1 1 1
220 1 1 1 1 21 PRO HA . 21 . HA 1 1
220 1 2 1 1 22 ARG H . 22 . HN 1 1
221 1 1 1 1 21 PRO HA . 21 . HA 1 1
221 1 2 1 1 21 PRO HD3 . 21 . HD2 1 1
222 1 1 1 1 21 PRO HA . 21 . HA 1 1
222 1 2 1 1 21 PRO QB . 21 . HB1 1 1
223 1 1 1 1 21 PRO HA . 21 . HA 1 1
223 1 2 1 1 23 TYR QE . 23 . HE1 1 1
224 1 1 1 1 21 PRO HA . 21 . HA 1 1
224 1 2 1 1 21 PRO HD2 . 21 . HD1 1 1
225 1 1 1 1 2 ASP HA . 2 . HA 1 1
225 1 2 1 1 5 LYS H . 5 . HN 1 1
226 1 1 1 1 17 ARG HA . 17 . HA 1 1
226 1 2 1 1 17 ARG HB3 . 17 . HB2 1 1
227 1 1 1 1 17 ARG HA . 17 . HA 1 1
227 1 2 1 1 17 ARG HB2 . 17 . HB1 1 1
228 1 1 1 1 17 ARG HA . 17 . HA 1 1
228 1 2 1 1 18 CYS H . 18 . HN 1 1
229 1 1 1 1 17 ARG HA . 17 . HA 1 1
229 1 2 1 1 17 ARG HG2 . 17 . HG2 1 1
230 1 1 1 1 17 ARG HA . 17 . HA 1 1
230 1 2 1 1 17 ARG HG3 . 17 . HG1 1 1
231 1 1 1 1 17 ARG HA . 17 . HA 1 1
231 1 2 1 1 18 CYS QB . 18 . HB2 1 1
232 1 1 1 1 17 ARG H . 17 . HN 1 1
232 1 2 1 1 17 ARG HA . 17 . HA 1 1
233 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
233 1 2 1 1 17 ARG HA . 17 . HA 1 1
234 1 1 1 1 11 TYR HA . 11 . HA 1 1
234 1 2 1 1 14 CYS H . 14 . HN 1 1
235 1 1 1 1 11 TYR HA . 11 . HA 1 1
235 1 2 1 1 13 GLY H . 13 . HN 1 1
236 1 1 1 1 11 TYR HA . 11 . HA 1 1
236 1 2 1 1 11 TYR QD . 11 . HD1 1 1
237 1 1 1 1 11 TYR HA . 11 . HA 1 1
237 1 2 1 1 12 ABA H . 12 . HN 1 1
238 1 1 1 1 11 TYR HA . 11 . HA 1 1
238 1 2 1 1 11 TYR HB3 . 11 . HB2 1 1
239 1 1 1 1 11 TYR H . 11 . HN 1 1
239 1 2 1 1 11 TYR HA . 11 . HA 1 1
240 1 1 1 1 11 TYR HA . 11 . HA 1 1
240 1 2 1 1 14 CYS QB . 14 . HB2 1 1
241 1 1 1 1 20 DPR HA . 20 . HA 1 1
241 1 2 1 1 22 ARG H . 22 . HN 1 1
242 1 1 1 1 20 DPR HA . 20 . HA 1 1
242 1 2 1 1 21 PRO HG3 . 21 . HG2 1 1
243 1 1 1 1 20 DPR HA . 20 . HA 1 1
243 1 2 1 1 20 DPR HG2 . 20 . HG1 1 1
244 1 1 1 1 20 DPR HA . 20 . HA 1 1
244 1 2 1 1 21 PRO HD2 . 21 . HD1 1 1
245 1 1 1 1 20 DPR HA . 20 . HA 1 1
245 1 2 1 1 21 PRO HD3 . 21 . HD2 1 1
246 1 1 1 1 20 DPR HA . 20 . HA 1 1
246 1 2 1 1 20 DPR HB3 . 20 . HB2 1 1
247 1 1 1 1 20 DPR HA . 20 . HA 1 1
247 1 2 1 1 20 DPR HD3 . 20 . HD2 1 1
248 1 1 1 1 20 DPR HA . 20 . HA 1 1
248 1 2 1 1 20 DPR HG3 . 20 . HG2 1 1
249 1 1 1 1 20 DPR HA . 20 . HA 1 1
249 1 2 1 1 20 DPR HB2 . 20 . HB1 1 1
250 1 1 1 1 20 DPR HA . 20 . HA 1 1
250 1 2 1 1 20 DPR HD2 . 20 . HD1 1 1
251 1 1 1 1 14 CYS H . 14 . HN 1 1
251 1 2 1 1 27 CYS HA . 27 . HA 1 1
252 1 1 1 1 15 GLU H . 15 . HN 1 1
252 1 2 1 1 27 CYS HA . 27 . HA 1 1
253 1 1 1 1 14 CYS QB . 14 . HB1 1 1
253 1 2 1 1 27 CYS HA . 27 . HA 1 1
254 1 1 1 1 27 CYS HA . 27 . HA 1 1
254 1 2 1 1 27 CYS HB2 . 27 . HB1 1 1
255 1 1 1 1 27 CYS HA . 27 . HA 1 1
255 1 2 1 1 27 CYS HB3 . 27 . HB2 1 1
256 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
256 1 2 1 1 25 MVA HA . 25 . HA 1 1
257 1 1 1 1 25 MVA HA . 25 . HA 1 1
257 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
258 1 1 1 1 25 MVA HA . 25 . HA 1 1
258 1 2 1 1 26 HIS H . 26 . HN 1 1
259 1 1 1 1 17 ARG H . 17 . HN 1 1
259 1 2 1 1 25 MVA HA . 25 . HA 1 1
260 1 1 1 1 25 MVA HA . 25 . HA 1 1
260 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
261 1 1 1 1 15 GLU H . 15 . HN 1 1
261 1 2 1 1 25 MVA HA . 25 . HA 1 1
262 1 1 1 1 26 HIS HA . 26 . HA 1 1
262 1 2 1 1 27 CYS HB2 . 27 . HB1 1 1
263 1 1 1 1 26 HIS HA . 26 . HA 1 1
263 1 2 1 1 26 HIS HB3 . 26 . HB1 1 1
264 1 1 1 1 26 HIS HA . 26 . HA 1 1
264 1 2 1 1 27 CYS H . 27 . HN 1 1
265 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
265 1 2 1 1 18 CYS HA . 18 . HA 1 1
266 1 1 1 1 18 CYS HA . 18 . HA 1 1
266 1 2 1 1 24 GLU H . 24 . HN 1 1
267 1 1 1 1 18 CYS HA . 18 . HA 1 1
267 1 2 1 1 18 CYS QB . 18 . HB1 1 1
268 1 1 1 1 18 CYS HA . 18 . HA 1 1
268 1 2 1 1 23 TYR QB . 23 . HB1 1 1
269 1 1 1 1 18 CYS H . 18 . HN 1 1
269 1 2 1 1 18 CYS HA . 18 . HA 1 1
270 1 1 1 1 18 CYS HA . 18 . HA 1 1
270 1 2 1 1 23 TYR QE . 23 . HE1 1 1
271 1 1 1 1 18 CYS HA . 18 . HA 1 1
271 1 2 1 1 23 TYR QD . 23 . HD1 1 1
272 1 1 1 1 18 CYS HA . 18 . HA 1 1
272 1 2 1 1 19 ASP HB2 . 19 . HB1 1 1
273 1 1 1 1 15 GLU HA . 15 . HA 1 1
273 1 2 1 1 15 GLU QB . 15 . HB1 1 1
274 1 1 1 1 15 GLU HA . 15 . HA 1 1
274 1 2 1 1 15 GLU HG3 . 15 . HG1 1 1
275 1 1 1 1 15 GLU HA . 15 . HA 1 1
275 1 2 1 1 15 GLU HG2 . 15 . HG2 1 1
276 1 1 1 1 16 MVA HA . 16 . HA 1 1
276 1 2 1 1 17 ARG H . 17 . HN 1 1
277 1 1 1 1 16 MVA HA . 16 . HA 1 1
277 1 2 1 1 16 MVA HB . 16 . HB 1 1
278 1 1 1 1 16 MVA HA . 16 . HA 1 1
278 1 2 1 1 26 HIS H . 26 . HN 1 1
279 1 1 1 1 16 MVA HA . 16 . HA 1 1
279 1 2 1 1 16 MVA HG21 . 16 . HG21 1 1
280 1 1 1 1 16 MVA HA . 16 . HA 1 1
280 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
281 1 1 1 1 23 TYR HA . 23 . HA 1 1
281 1 2 1 1 24 GLU H . 24 . HN 1 1
282 1 1 1 1 23 TYR HA . 23 . HA 1 1
282 1 2 1 1 23 TYR QE . 23 . HE1 1 1
283 1 1 1 1 23 TYR HA . 23 . HA 1 1
283 1 2 1 1 23 TYR QD . 23 . HD1 1 1
284 1 1 1 1 23 TYR HA . 23 . HA 1 1
284 1 2 1 1 23 TYR QB . 23 . HB1 1 1
285 1 1 1 1 23 TYR H . 23 . HN 1 1
285 1 2 1 1 23 TYR HA . 23 . HA 1 1
286 1 1 1 1 14 CYS H . 14 . HN 1 1
286 1 2 1 1 14 CYS HA . 14 . HA 1 1
287 1 1 1 1 14 CYS HA . 14 . HA 1 1
287 1 2 1 1 15 GLU H . 15 . HN 1 1
288 1 1 1 1 19 ASP HA . 19 . HA 1 1
288 1 2 1 1 19 ASP HB2 . 19 . HB1 1 1
289 1 1 1 1 19 ASP HA . 19 . HA 1 1
289 1 2 1 1 20 DPR HD3 . 20 . HD2 1 1
290 1 1 1 1 19 ASP HA . 19 . HA 1 1
290 1 2 1 1 20 DPR HD2 . 20 . HD1 1 1
291 1 1 1 1 24 GLU HA . 24 . HA 1 1
291 1 2 1 1 24 GLU HB2 . 24 . HB1 1 1
292 1 1 1 1 24 GLU HA . 24 . HA 1 1
292 1 2 1 1 24 GLU QG . 24 . HG1 1 1
293 1 1 1 1 24 GLU HA . 24 . HA 1 1
293 1 2 1 1 24 GLU HB3 . 24 . HB2 1 1
294 1 1 1 1 24 GLU H . 24 . HN 1 1
294 1 2 1 1 24 GLU HA . 24 . HA 1 1
295 1 1 1 1 24 GLU HA . 24 . HA 1 1
295 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
296 1 1 1 1 4 CYS H . 4 . HN 1 1
296 1 2 1 1 23 TYR QE . 23 . HE1 1 1
297 1 1 1 1 23 TYR QD . 23 . HD1 1 1
297 1 2 1 1 24 GLU H . 24 . HN 1 1
298 1 1 1 1 23 TYR H . 23 . HN 1 1
298 1 2 1 1 23 TYR QD . 23 . HD1 1 1
299 1 1 1 1 19 ASP H . 19 . HN 1 1
299 1 2 1 1 23 TYR QD . 23 . HD1 1 1
300 1 1 1 1 8 LYS H . 8 . HN 1 1
300 1 2 1 1 11 TYR QD . 11 . HD1 1 1
301 1 1 1 1 11 TYR QD . 11 . HD1 1 1
301 1 2 1 1 12 ABA H . 12 . HN 1 1
302 1 1 1 1 10 ARG H . 10 . HN 1 1
302 1 2 1 1 11 TYR QD . 11 . HD1 1 1
303 1 1 1 1 11 TYR H . 11 . HN 1 1
303 1 2 1 1 11 TYR QD . 11 . HD1 1 1
304 1 1 1 1 26 HIS H . 26 . HN 1 1
304 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
305 1 1 1 1 19 ASP H . 19 . HN 1 1
305 1 2 1 1 22 ARG H . 22 . HN 1 1
306 1 1 1 1 22 ARG H . 22 . HN 1 1
306 1 2 1 1 23 TYR H . 23 . HN 1 1
307 1 1 1 1 11 TYR H . 11 . HN 1 1
307 1 2 1 1 12 ABA H . 12 . HN 1 1
308 1 1 1 1 12 ABA H . 12 . HN 1 1
308 1 2 1 1 13 GLY H . 13 . HN 1 1
309 1 1 1 1 7 LEU HG . 7 . HG 1 1
309 1 2 1 1 8 LYS H . 8 . HN 1 1
310 1 1 1 1 7 LEU H . 7 . HN 1 1
310 1 2 1 1 8 LYS H . 8 . HN 1 1
311 1 1 1 1 9 B3K HB . 9 . HB 1 1
311 1 2 1 1 10 ARG H . 10 . HN 1 1
312 1 1 1 1 10 ARG H . 10 . HN 1 1
312 1 2 1 1 10 ARG HA . 10 . HA 1 1
313 1 1 1 1 10 ARG H . 10 . HN 1 1
313 1 2 1 1 11 TYR H . 11 . HN 1 1
314 1 1 1 1 13 GLY H . 13 . HN 1 1
314 1 2 1 1 14 CYS H . 14 . HN 1 1
315 1 1 1 1 14 CYS H . 14 . HN 1 1
315 1 2 1 1 15 GLU H . 15 . HN 1 1
316 1 1 1 1 7 LEU HA . 7 . HA 1 1
316 1 2 1 1 11 TYR H . 11 . HN 1 1
317 1 1 1 1 10 ARG HA . 10 . HA 1 1
317 1 2 1 1 11 TYR H . 11 . HN 1 1
318 1 1 1 1 9 B3K HB . 9 . HB 1 1
318 1 2 1 1 11 TYR H . 11 . HN 1 1
319 1 1 1 1 3 B3K HB . 3 . HB 1 1
319 1 2 1 1 4 CYS H . 4 . HN 1 1
320 1 1 1 1 23 TYR H . 23 . HN 1 1
320 1 2 1 1 24 GLU H . 24 . HN 1 1
321 1 1 1 1 17 ARG H . 17 . HN 1 1
321 1 2 1 1 24 GLU H . 24 . HN 1 1
322 1 1 1 1 17 ARG H . 17 . HN 1 1
322 1 2 1 1 18 CYS H . 18 . HN 1 1
323 1 1 1 1 17 ARG H . 17 . HN 1 1
323 1 2 1 1 26 HIS H . 26 . HN 1 1
324 1 1 1 1 11 TYR H . 11 . HN 1 1
324 1 2 1 1 13 GLY H . 13 . HN 1 1
325 1 1 1 1 19 ASP H . 19 . HN 1 1
325 1 2 1 1 23 TYR HA . 23 . HA 1 1
326 1 1 1 1 19 ASP H . 19 . HN 1 1
326 1 2 1 1 24 GLU H . 24 . HN 1 1
327 1 1 1 1 18 CYS HA . 18 . HA 1 1
327 1 2 1 1 19 ASP H . 19 . HN 1 1
328 1 1 1 1 26 HIS H . 26 . HN 1 1
328 1 2 1 1 27 CYS H . 27 . 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 2 . . . . . 3.311 1.94 4.682 1 1
1 3 . . . . . 3.311 1.94 4.682 1 1
2 1 . . . . . 3.573 1.978 5.168 1 1
3 2 . . . . . 1.987 1.493 2.481 1 1
3 3 . . . . . 1.987 1.493 2.481 1 1
4 1 . . . . . 3.549 1.974 5.124 1 1
5 1 . . . . . 3.2 1.92 4.48 1 1
6 1 . . . . . 3.97 2.0 5.94 1 1
7 1 . . . . . 3.473 1.965 4.981 1 1
8 1 . . . . . 2.222 1.605 2.839 1 1
9 1 . . . . . 3.755 1.992 5.518 1 1
10 1 . . . . . 3.262 1.932 4.592 1 1
11 1 . . . . . 2.452 1.701 3.203 1 1
12 1 . . . . . 3.333 1.945 4.721 1 1
13 1 . . . . . 3.951 1.999 5.903 1 1
14 1 . . . . . 3.286 1.936 4.636 1 1
15 1 . . . . . 2.476 1.71 3.242 1 1
16 1 . . . . . 2.857 1.837 3.877 1 1
17 1 . . . . . 3.464 1.964 4.964 1 1
18 1 . . . . . 3.913 1.999 5.827 1 1
19 2 . . . . . 3.276 1.934 4.618 1 1
19 3 . . . . . 3.276 1.934 4.618 1 1
20 1 . . . . . 4.016 2.0 6.032 1 1
21 1 . . . . . 2.63 1.765 3.495 1 1
22 2 . . . . . 3.243 1.928 4.558 1 1
22 3 . . . . . 3.243 1.928 4.558 1 1
23 1 . . . . . 3.595 1.979 5.211 1 1
24 1 . . . . . 3.226 1.925 4.527 1 1
25 1 . . . . . 3.061 1.89 4.232 1 1
26 1 . . . . . 2.337 1.654 3.02 1 1
27 1 . . . . . 3.217 1.923 4.511 1 1
28 1 . . . . . 2.732 1.799 3.665 1 1
29 1 . . . . . 3.413 1.957 4.869 1 1
30 2 . . . . . 2.096 1.547 2.645 1 1
30 3 . . . . . 2.096 1.547 2.645 1 1
31 1 . . . . . 2.333 1.653 3.013 1 1
32 2 . . . . . 2.943 1.86 4.026 1 1
32 3 . . . . . 2.943 1.86 4.026 1 1
33 1 . . . . . 3.861 1.998 5.724 1 1
34 2 . . . . . 3.422 1.958 4.886 1 1
34 3 . . . . . 3.422 1.958 4.886 1 1
35 1 . . . . . 3.582 1.978 5.186 1 1
36 1 . . . . . 3.761 1.993 5.529 1 1
37 1 . . . . . 3.322 1.943 4.701 1 1
38 2 . . . . . 2.652 1.773 3.531 1 1
38 3 . . . . . 2.652 1.773 3.531 1 1
39 1 . . . . . 2.581 1.749 3.413 1 1
40 1 . . . . . 3.618 1.982 5.254 1 1
41 1 . . . . . 3.111 1.901 4.321 1 1
42 1 . . . . . 3.344 1.947 4.741 1 1
43 1 . . . . . 2.314 1.644 2.984 1 1
44 1 . . . . . 3.508 1.97 5.046 1 1
45 1 . . . . . 3.281 1.935 4.627 1 1
46 1 . . . . . 2.512 1.723 3.301 1 1
47 1 . . . . . 1.976 1.488 2.464 1 1
48 1 . . . . . 3.685 1.988 5.382 1 1
49 1 . . . . . 2.737 1.8 3.674 1 1
50 1 . . . . . 2.666 1.777 3.555 1 1
51 1 . . . . . 2.981 1.87 4.092 1 1
52 1 . . . . . 5.161 1.831 8.491 1 1
53 1 . . . . . 2.896 1.848 3.944 1 1
54 1 . . . . . . 1.977 3.536 1 1
55 1 . . . . . 1.806 1.398 2.214 1 1
56 1 . . . . . 2.971 1.867 4.075 1 1
57 1 . . . . . 3.286 1.936 4.636 1 1
58 1 . . . . . 3.579 1.979 5.18 1 1
59 1 . . . . . 2.967 1.867 4.067 1 1
60 1 . . . . . 3.049 1.887 4.211 1 1
61 1 . . . . . 2.733 1.799 3.667 1 1
62 1 . . . . . 3.213 1.923 4.503 1 1
63 1 . . . . . 3.271 1.933 4.609 1 1
64 1 . . . . . 2.649 1.772 3.526 1 1
65 1 . . . . . 3.217 1.923 4.511 1 1
66 1 . . . . . 2.981 1.87 4.092 1 1
67 1 . . . . . 3.405 1.956 4.854 1 1
68 1 . . . . . 3.799 1.995 5.603 1 1
69 1 . . . . . 3.291 1.937 4.645 1 1
70 1 . . . . . 3.122 1.904 4.34 1 1
71 1 . . . . . 2.945 1.861 4.029 1 1
72 1 . . . . . 3.95 2.0 5.9 1 1
73 1 . . . . . 2.81 1.823 3.797 1 1
74 1 . . . . . 2.585 1.75 3.42 1 1
75 1 . . . . . 3.737 1.991 5.483 1 1
76 1 . . . . . 3.07 1.892 4.248 1 1
77 1 . . . . . 3.333 1.945 4.721 1 1
78 1 . . . . . 3.316 1.941 4.691 1 1
79 1 . . . . . 4.316 1.987 6.645 1 1
80 1 . . . . . 2.58 1.748 3.412 1 1
81 1 . . . . . 4.156 1.997 6.315 1 1
82 1 . . . . . 2.725 1.797 3.653 1 1
83 1 . . . . . 2.378 1.671 3.085 1 1
84 1 . . . . . 3.58 1.978 5.182 1 1
85 1 . . . . . 3.239 1.928 4.55 1 1
86 1 . . . . . 2.63 1.765 3.495 1 1
87 1 . . . . . 3.455 1.963 4.947 1 1
88 1 . . . . . 3.719 1.99 5.448 1 1
89 1 . . . . . 3.248 1.929 4.567 1 1
90 1 . . . . . 3.115 1.902 4.328 1 1
91 1 . . . . . 2.64 1.769 3.511 1 1
92 1 . . . . . 3.841 1.997 5.685 1 1
93 1 . . . . . 3.306 1.94 4.672 1 1
94 1 . . . . . 2.76 1.808 3.712 1 1
95 1 . . . . . 2.605 1.757 3.453 1 1
96 1 . . . . . 3.306 1.94 4.672 1 1
97 1 . . . . . 3.492 1.968 5.016 1 1
98 1 . . . . . 2.559 1.741 3.377 1 1
99 1 . . . . . 2.587 1.75 3.424 1 1
100 1 . . . . . 2.779 1.813 3.745 1 1
101 1 . . . . . 2.83 1.829 3.831 1 1
102 1 . . . . . 2.88 1.843 3.917 1 1
103 1 . . . . . 2.671 1.779 3.563 1 1
104 1 . . . . . 2.69 1.786 3.594 1 1
105 1 . . . . . 3.02 1.88 4.16 1 1
106 1 . . . . . 2.696 1.788 3.604 1 1
107 1 . . . . . 3.085 1.895 4.275 1 1
108 1 . . . . . 2.259 1.621 2.897 1 1
109 1 . . . . . 2.728 1.798 3.658 1 1
110 1 . . . . . 2.578 1.747 3.409 1 1
111 1 . . . . . 2.462 1.704 3.22 1 1
112 1 . . . . . 2.6 1.755 3.445 1 1
113 1 . . . . . 2.859 1.837 3.881 1 1
114 1 . . . . . 3.188 1.917 4.459 1 1
115 1 . . . . . 2.908 1.851 3.965 1 1
116 1 . . . . . 3.034 1.883 4.185 1 1
117 1 . . . . . 4.012 2.0 6.024 1 1
118 1 . . . . . 2.511 1.723 3.299 1 1
119 1 . . . . . 2.701 1.789 3.613 1 1
120 1 . . . . . 2.416 1.687 3.145 1 1
121 1 . . . . . 2.604 1.756 3.452 1 1
122 1 . . . . . 3.2 1.92 4.48 1 1
123 1 . . . . . 2.518 1.725 3.311 1 1
124 1 . . . . . 2.93 1.857 4.003 1 1
125 1 . . . . . 2.736 1.8 3.672 1 1
126 1 . . . . . 2.485 1.713 3.257 1 1
127 1 . . . . . 3.618 1.982 5.254 1 1
128 1 . . . . . 2.945 1.861 4.029 1 1
129 1 . . . . . 3.828 1.996 5.66 1 1
130 1 . . . . . 3.464 1.964 4.964 1 1
131 1 . . . . . 3.322 1.943 4.701 1 1
132 1 . . . . . 3.184 1.916 4.452 1 1
133 1 . . . . . 2.969 1.867 4.071 1 1
134 1 . . . . . 3.105 1.9 4.31 1 1
135 1 . . . . . 3.374 1.951 4.797 1 1
136 1 . . . . . 3.217 1.923 4.511 1 1
137 1 . . . . . 3.055 1.889 4.221 1 1
138 1 . . . . . 2.87 1.84 3.168 1 1
139 1 . . . . . 2.482 1.786 3.252 1 1
140 1 . . . . . 3.902 1.999 5.805 1 1
141 1 . . . . . 2.837 1.831 3.843 1 1
142 1 . . . . . 3.959 2.0 5.918 1 1
143 1 . . . . . 4.149 1.998 6.3 1 1
144 1 . . . . . 2.354 1.661 3.047 1 1
145 1 . . . . . 2.493 1.716 3.27 1 1
146 1 . . . . . 2.884 1.845 3.923 1 1
147 1 . . . . . 2.964 1.866 4.062 1 1
148 1 . . . . . 2.626 1.764 3.488 1 1
149 1 . . . . . 3.53 1.972 5.088 1 1
150 1 . . . . . 2.989 1.978 4.106 1 1
151 1 . . . . . 2.528 1.729 3.327 1 1
152 1 . . . . . 2.129 1.562 2.696 1 1
153 1 . . . . . 2.862 1.838 3.886 1 1
154 1 . . . . . 2.474 1.709 3.239 1 1
155 1 . . . . . 2.61 1.759 3.461 1 1
156 1 . . . . . 2.943 1.86 4.026 1 1
157 1 . . . . . 2.87 1.84 3.9 1 1
158 1 . . . . . 2.531 1.787 3.332 1 1
159 1 . . . . . 3.226 1.925 4.156 1 1
160 1 . . . . . 3.375 1.952 4.798 1 1
161 1 . . . . . 3.477 1.965 4.989 1 1
162 1 . . . . . 2.482 1.712 3.252 1 1
163 1 . . . . . 3.345 1.947 4.743 1 1
164 1 . . . . . 3.101 1.899 4.01 1 1
165 1 . . . . . 2.524 1.778 3.32 1 1
166 1 . . . . . 3.115 1.902 4.328 1 1
167 1 . . . . . 4.32 1.987 6.653 1 1
168 1 . . . . . 3.286 1.936 4.636 1 1
169 1 . . . . . 2.394 1.678 3.11 1 1
170 1 . . . . . 2.842 1.832 3.852 1 1
171 1 . . . . . 2.582 1.749 3.415 1 1
172 1 . . . . . 3.388 1.953 4.823 1 1
173 1 . . . . . 2.657 1.774 3.54 1 1
174 1 . . . . . 4.201 1.994 6.408 1 1
175 1 . . . . . 3.18 1.916 4.444 1 1
176 1 . . . . . 3.354 1.948 4.76 1 1
177 1 . . . . . 2.962 1.866 4.058 1 1
178 1 . . . . . 3.598 1.98 5.216 1 1
179 1 . . . . . 3.457 1.963 4.951 1 1
180 1 . . . . . 2.597 1.754 3.44 1 1
181 1 . . . . . 3.18 1.916 4.444 1 1
182 1 . . . . . 3.316 1.941 4.691 1 1
183 1 . . . . . 4.096 1.999 6.193 1 1
184 1 . . . . . 3.803 1.995 5.611 1 1
185 1 . . . . . 2.011 1.505 2.517 1 1
186 1 . . . . . 3.007 1.877 4.137 1 1
187 1 . . . . . 3.023 1.881 4.165 1 1
188 1 . . . . . 4.006 2.0 6.012 1 1
189 1 . . . . . 3.243 1.928 4.558 1 1
190 1 . . . . . 3.724 1.991 5.457 1 1
191 1 . . . . . 3.606 1.98 5.232 1 1
192 1 . . . . . 3.366 1.949 4.783 1 1
193 1 . . . . . 1.886 1.441 2.331 1 1
194 1 . . . . . 3.262 1.932 4.592 1 1
195 1 . . . . . 3.886 1.999 5.773 1 1
196 1 . . . . . 2.962 1.866 4.058 1 1
197 1 . . . . . 2.392 1.677 3.107 1 1
198 1 . . . . . 2.793 1.818 3.768 1 1
199 1 . . . . . 2.979 1.87 4.088 1 1
200 1 . . . . . 2.497 1.717 3.277 1 1
201 1 . . . . . 3.169 1.914 4.424 1 1
202 1 . . . . . 2.525 1.728 3.322 1 1
203 1 . . . . . 3.43 1.959 4.901 1 1
204 1 . . . . . 2.427 1.691 3.163 1 1
205 1 . . . . . 3.286 1.936 4.636 1 1
206 1 . . . . . 4.036 1.999 6.073 1 1
207 1 . . . . . 3.176 1.915 4.437 1 1
208 1 . . . . . 2.579 1.748 3.41 1 1
209 1 . . . . . 2.74 1.801 3.679 1 1
210 1 . . . . . 3.396 1.955 4.837 1 1
211 1 . . . . . 2.783 1.815 3.751 1 1
212 1 . . . . . 3.301 1.939 4.663 1 1
213 1 . . . . . 3.932 1.999 5.865 1 1
214 1 . . . . . 3.226 1.925 4.527 1 1
215 1 . . . . . 2.655 1.774 3.536 1 1
216 1 . . . . . 2.361 1.664 3.058 1 1
217 1 . . . . . 2.18 1.586 2.774 1 1
218 1 . . . . . 2.705 1.791 3.619 1 1
219 1 . . . . . 3.509 1.97 5.048 1 1
220 1 . . . . . 3.07 1.892 4.248 1 1
221 1 . . . . . 3.243 1.928 4.558 1 1
222 1 . . . . . 2.328 1.65 3.006 1 1
223 1 . . . . . 3.882 1.998 5.766 1 1
224 1 . . . . . 3.37 1.95 4.79 1 1
225 1 . . . . . 3.996 2.0 5.992 1 1
226 1 . . . . . 2.57 1.744 3.396 1 1
227 1 . . . . . 2.663 1.777 3.549 1 1
228 1 . . . . . 2.111 1.554 2.668 1 1
229 1 . . . . . 3.2 1.92 4.48 1 1
230 1 . . . . . 2.948 1.862 4.034 1 1
231 1 . . . . . 3.628 1.983 5.273 1 1
232 1 . . . . . 2.776 1.812 3.74 1 1
233 1 . . . . . 3.548 1.974 5.122 1 1
234 1 . . . . . 3.981 2.0 5.962 1 1
235 1 . . . . . 3.922 1.999 5.845 1 1
236 1 . . . . . 2.404 1.682 3.126 1 1
237 1 . . . . . 2.622 1.763 3.481 1 1
238 1 . . . . . 2.469 1.707 3.231 1 1
239 1 . . . . . 2.665 1.777 3.553 1 1
240 1 . . . . . 3.895 1.998 5.792 1 1
241 1 . . . . . 3.188 1.917 4.459 1 1
242 1 . . . . . 3.034 1.883 4.185 1 1
243 1 . . . . . 2.999 1.875 4.123 1 1
244 1 . . . . . 2.256 1.62 2.892 1 1
245 1 . . . . . 2.198 1.594 2.802 1 1
246 1 . . . . . 2.324 1.649 2.999 1 1
247 1 . . . . . 3.239 1.928 4.55 1 1
248 1 . . . . . 3.347 1.947 4.747 1 1
249 1 . . . . . 2.553 1.738 3.368 1 1
250 1 . . . . . 3.721 1.99 5.452 1 1
251 1 . . . . . 4.002 2.0 6.004 1 1
252 1 . . . . . 2.945 1.861 4.029 1 1
253 1 . . . . . 2.775 1.958 3.738 1 1
254 1 . . . . . 2.798 1.819 3.777 1 1
255 1 . . . . . 2.465 1.706 3.224 1 1
256 1 . . . . . 3.281 1.935 4.627 1 1
257 1 . . . . . 2.537 1.732 3.342 1 1
258 1 . . . . . 2.05 1.524 2.576 1 1
259 1 . . . . . 2.914 1.852 3.976 1 1
260 1 . . . . . 2.344 1.657 3.031 1 1
261 1 . . . . . 3.226 1.925 4.527 1 1
262 1 . . . . . 4.129 1.998 6.26 1 1
263 1 . . . . . 2.428 1.691 3.165 1 1
264 1 . . . . . 2.104 1.551 2.657 1 1
265 1 . . . . . 3.353 1.948 4.758 1 1
266 1 . . . . . 2.806 1.822 3.79 1 1
267 1 . . . . . 2.642 1.77 3.514 1 1
268 1 . . . . . 2.792 1.818 3.766 1 1
269 1 . . . . . 2.934 1.858 4.01 1 1
270 1 . . . . . 3.795 1.995 5.595 1 1
271 1 . . . . . 3.143 1.908 4.378 1 1
272 1 . . . . . 3.681 1.988 5.374 1 1
273 1 . . . . . 2.339 1.655 3.023 1 1
274 1 . . . . . 3.165 1.913 4.417 1 1
275 1 . . . . . 2.665 1.777 3.553 1 1
276 1 . . . . . 2.052 1.526 2.578 1 1
277 1 . . . . . 2.624 1.763 3.485 1 1
278 1 . . . . . 2.826 1.827 3.825 1 1
279 1 . . . . . 2.386 1.675 3.097 1 1
280 1 . . . . . 2.994 1.874 4.114 1 1
281 1 . . . . . 2.183 1.587 2.779 1 1
282 1 . . . . . 3.43 1.959 4.901 1 1
283 1 . . . . . 2.779 1.813 3.745 1 1
284 1 . . . . . 2.169 1.581 2.757 1 1
285 1 . . . . . 2.914 1.852 3.976 1 1
286 1 . . . . . 2.762 1.809 3.715 1 1
287 1 . . . . . 2.278 1.629 2.927 1 1
288 1 . . . . . 2.641 1.769 3.513 1 1
289 1 . . . . . 2.186 1.589 2.783 1 1
290 1 . . . . . 2.436 1.694 3.178 1 1
291 1 . . . . . 2.582 1.748 3.416 1 1
292 1 . . . . . 2.632 1.766 3.498 1 1
293 1 . . . . . 2.534 1.732 3.336 1 1
294 1 . . . . . 2.633 1.766 3.5 1 1
295 1 . . . . . 3.525 1.972 5.078 1 1
296 1 . . . . . 3.944 1.999 5.889 1 1
297 1 . . . . . 3.311 1.94 4.682 1 1
298 1 . . . . . 2.872 1.841 3.903 1 1
299 1 . . . . . 3.761 1.993 5.529 1 1
300 1 . . . . . 3.831 1.997 5.665 1 1
301 1 . . . . . 3.977 2.0 5.954 1 1
302 1 . . . . . 4.387 1.981 6.793 1 1
303 1 . . . . . 2.971 1.867 4.075 1 1
304 1 . . . . . 4.3 1.989 6.611 1 1
305 1 . . . . . 3.154 1.911 4.397 1 1
306 1 . . . . . 3.966 2.0 5.932 1 1
307 1 . . . . . 2.882 1.844 3.92 1 1
308 1 . . . . . 3.257 1.931 4.583 1 1
309 1 . . . . . 3.356 1.948 4.764 1 1
310 1 . . . . . 2.896 1.848 3.944 1 1
311 1 . . . . . 3.338 1.945 4.731 1 1
312 1 . . . . . 2.664 1.777 3.551 1 1
313 1 . . . . . 2.713 1.793 3.633 1 1
314 1 . . . . . 2.693 1.786 3.6 1 1
315 1 . . . . . 4.188 1.996 6.38 1 1
316 1 . . . . . 3.694 1.988 5.4 1 1
317 1 . . . . . 2.487 1.714 3.26 1 1
318 1 . . . . . 3.463 1.964 4.962 1 1
319 1 . . . . . 3.648 1.985 5.311 1 1
320 1 . . . . . 3.675 1.987 5.363 1 1
321 1 . . . . . 2.927 1.856 3.998 1 1
322 1 . . . . . 3.322 1.943 4.701 1 1
323 1 . . . . . 3.662 1.985 5.339 1 1
324 1 . . . . . 3.409 1.956 4.862 1 1
325 1 . . . . . 3.531 1.973 5.089 1 1
326 1 . . . . . 3.686 1.988 5.384 1 1
327 1 . . . . . 3.122 1.904 4.34 1 1
328 1 . . . . . 3.509 1.97 5.048 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 "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 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
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 ASP O . 2 . O 1 2
1 1 2 1 1 6 B3E N . 6 . N 1 2
2 1 1 1 1 3 B3K O . 3 . O 1 2
2 1 2 1 1 7 LEU H . 7 . HN 1 2
3 1 1 1 1 3 B3K O . 3 . O 1 2
3 1 2 1 1 7 LEU N . 7 . N 1 2
4 1 1 1 1 4 CYS O . 4 . O 1 2
4 1 2 1 1 8 LYS H . 8 . HN 1 2
5 1 1 1 1 4 CYS O . 4 . O 1 2
5 1 2 1 1 8 LYS N . 8 . N 1 2
6 1 1 1 1 5 LYS O . 5 . O 1 2
6 1 2 1 1 9 B3K N . 9 . N 1 2
7 1 1 1 1 6 B3E O . 6 . O 1 2
7 1 2 1 1 10 ARG H . 10 . HN 1 2
8 1 1 1 1 6 B3E O . 6 . O 1 2
8 1 2 1 1 10 ARG N . 10 . N 1 2
9 1 1 1 1 11 TYR O . 11 . O 1 2
9 1 2 1 1 14 CYS H . 14 . HN 1 2
10 1 1 1 1 11 TYR O . 11 . O 1 2
10 1 2 1 1 14 CYS N . 14 . N 1 2
11 1 1 1 1 19 ASP O . 19 . O 1 2
11 1 2 1 1 22 ARG H . 22 . HN 1 2
12 1 1 1 1 19 ASP O . 19 . O 1 2
12 1 2 1 1 22 ARG N . 22 . N 1 2
13 1 1 1 1 19 ASP H . 19 . HN 1 2
13 1 2 1 1 22 ARG O . 22 . O 1 2
14 1 1 1 1 19 ASP N . 19 . N 1 2
14 1 2 1 1 22 ARG O . 22 . O 1 2
15 1 1 1 1 17 ARG O . 17 . O 1 2
15 1 2 1 1 24 GLU H . 24 . HN 1 2
16 1 1 1 1 17 ARG O . 17 . O 1 2
16 1 2 1 1 24 GLU N . 24 . N 1 2
17 1 1 1 1 17 ARG H . 17 . HN 1 2
17 1 2 1 1 24 GLU O . 24 . O 1 2
18 1 1 1 1 17 ARG N . 17 . N 1 2
18 1 2 1 1 24 GLU O . 24 . O 1 2
19 1 1 1 1 15 GLU O . 15 . O 1 2
19 1 2 1 1 26 HIS H . 26 . HN 1 2
20 1 1 1 1 15 GLU O . 15 . O 1 2
20 1 2 1 1 26 HIS N . 26 . N 1 2
21 1 1 1 1 15 GLU H . 15 . HN 1 2
21 1 2 1 1 26 HIS O . 26 . O 1 2
22 1 1 1 1 15 GLU N . 15 . N 1 2
22 1 2 1 1 26 HIS O . 26 . O 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 . . . . . 2.9 2.7 3.1 1 2
2 1 . . . . . 1.9 1.8 2.0 1 2
3 1 . . . . . 2.9 2.7 3.1 1 2
4 1 . . . . . 1.9 1.8 2.0 1 2
5 1 . . . . . 2.9 2.7 3.1 1 2
6 1 . . . . . 2.9 2.7 3.1 1 2
7 1 . . . . . 1.9 1.8 2.0 1 2
8 1 . . . . . 2.9 2.7 3.1 1 2
9 1 . . . . . 1.9 1.8 2.0 1 2
10 1 . . . . . 2.9 2.7 3.1 1 2
11 1 . . . . . 1.9 1.8 2.0 1 2
12 1 . . . . . 2.9 2.7 3.1 1 2
13 1 . . . . . 1.9 1.8 2.0 1 2
14 1 . . . . . 2.9 2.7 3.1 1 2
15 1 . . . . . 1.9 1.8 2.0 1 2
16 1 . . . . . 2.9 2.7 3.1 1 2
17 1 . . . . . 1.9 1.8 2.0 1 2
18 1 . . . . . 2.9 2.7 3.1 1 2
19 1 . . . . . 1.9 1.8 2.0 1 2
20 1 . . . . . 2.9 2.7 3.1 1 2
21 1 . . . . . 1.9 1.8 2.0 1 2
22 1 . . . . . 2.9 2.7 3.1 1 2
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 2 ASP C 1 1 3 B3K N 1 1 3 B3K CB 1 1 3 B3K CA -160.0 -80.0 . 2 . C . 3 . N . 3 . CB . 3 . CA 1 1
2 . 1 1 3 B3K C 1 1 4 CYS N 1 1 4 CYS CA 1 1 4 CYS C -89.99999 -40.0 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1
3 . 1 1 5 LYS C 1 1 6 B3E N 1 1 6 B3E CB 1 1 6 B3E CA -160.0 -80.0 . 5 . C . 6 . N . 6 . CB . 6 . CA 1 1
4 . 1 1 6 B3E C 1 1 7 LEU N 1 1 7 LEU CA 1 1 7 LEU C -89.99999 -40.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1
5 . 1 1 9 B3K C 1 1 10 ARG N 1 1 10 ARG CA 1 1 10 ARG C -89.99999 -40.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1
6 . 1 1 10 ARG C 1 1 11 TYR N 1 1 11 TYR CA 1 1 11 TYR C -160.0 -80.0 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1
7 . 1 1 13 GLY C 1 1 14 CYS N 1 1 14 CYS CA 1 1 14 CYS C -160.0 -80.0 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1
8 . 1 1 16 MVA C 1 1 17 ARG N 1 1 17 ARG CA 1 1 17 ARG C -160.0 -80.0 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1
9 . 1 1 17 ARG C 1 1 18 CYS N 1 1 18 CYS CA 1 1 18 CYS C -160.0 -80.0 . 17 . C . 18 . N . 18 . CA . 18 . C 1 1
10 . 1 1 18 CYS C 1 1 19 ASP N 1 1 19 ASP CA 1 1 19 ASP C -160.0 -80.0 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1
11 . 1 1 22 ARG C 1 1 23 TYR N 1 1 23 TYR CA 1 1 23 TYR C -160.0 -80.0 . 22 . C . 23 . N . 23 . CA . 23 . C 1 1
12 . 1 1 23 TYR C 1 1 24 GLU N 1 1 24 GLU CA 1 1 24 GLU C -160.0 -80.0 . 23 . C . 24 . N . 24 . CA . 24 . C 1 1
13 . 1 1 25 MVA C 1 1 26 HIS N 1 1 26 HIS CA 1 1 26 HIS C -160.0 -80.0 . 25 . C . 26 . N . 26 . CA . 26 . C 1 1
14 . 1 1 26 HIS C 1 1 27 CYS N 1 1 27 CYS CA 1 1 27 CYS C -160.0 -80.0 . 26 . C . 27 . N . 27 . CA . 27 . 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 ASN C C 11.089 -3.884 -0.602 1.00 . A A . 1 ASN C 1 1
1 2 1 1 1 ASN CA C 12.265 -3.526 0.295 1.00 . A A . 1 ASN CA 1 1
1 3 1 1 1 ASN CB C 12.067 -2.126 0.882 1.00 . A A . 1 ASN CB 1 1
1 4 1 1 1 ASN CG C 10.947 -2.058 1.908 1.00 . A A . 1 ASN CG 1 1
1 5 1 1 1 ASN H1 H 13.477 -2.894 -1.268 1.00 . A A . 1 ASN H1 1 1
1 6 1 1 1 ASN H2 H 13.654 -4.527 -0.883 1.00 . A A . 1 ASN H2 1 1
1 7 1 1 1 ASN H3 H 14.331 -3.346 0.118 1.00 . A A . 1 ASN H3 1 1
1 8 1 1 1 ASN HA H 12.331 -4.246 1.097 1.00 . A A . 1 ASN HA 1 1
1 9 1 1 1 ASN HB2 H 12.982 -1.813 1.359 1.00 . A A . 1 ASN HB2 1 1
1 10 1 1 1 ASN HB3 H 11.834 -1.440 0.080 1.00 . A A . 1 ASN HB3 1 1
1 11 1 1 1 ASN HD21 H 11.842 -0.538 2.819 1.00 . A A . 1 ASN HD21 1 1
1 12 1 1 1 ASN HD22 H 10.345 -1.060 3.515 1.00 . A A . 1 ASN HD22 1 1
1 13 1 1 1 ASN N N 13.519 -3.577 -0.487 1.00 . A A . 1 ASN N 1 1
1 14 1 1 1 ASN ND2 N 11.056 -1.126 2.842 1.00 . A A . 1 ASN ND2 1 1
1 15 1 1 1 ASN O O 10.847 -3.223 -1.612 1.00 . A A . 1 ASN O 1 1
1 16 1 1 1 ASN OD1 O 9.993 -2.830 1.866 1.00 . A A . 1 ASN OD1 1 1
1 17 1 1 2 ASP C C 7.916 -5.022 -0.425 1.00 . A A . 2 ASP C 1 1
1 18 1 1 2 ASP CA C 9.251 -5.413 -1.044 1.00 . A A . 2 ASP CA 1 1
1 19 1 1 2 ASP CB C 9.320 -6.932 -1.203 1.00 . A A . 2 ASP CB 1 1
1 20 1 1 2 ASP CG C 9.040 -7.673 0.089 1.00 . A A . 2 ASP CG 1 1
1 21 1 1 2 ASP H H 10.592 -5.403 0.595 1.00 . A A . 2 ASP H 1 1
1 22 1 1 2 ASP HA H 9.327 -4.954 -2.019 1.00 . A A . 2 ASP HA 1 1
1 23 1 1 2 ASP HB2 H 8.591 -7.241 -1.936 1.00 . A A . 2 ASP HB2 1 1
1 24 1 1 2 ASP HB3 H 10.305 -7.205 -1.546 1.00 . A A . 2 ASP HB3 1 1
1 25 1 1 2 ASP N N 10.367 -4.933 -0.238 1.00 . A A . 2 ASP N 1 1
1 26 1 1 2 ASP O O 6.854 -5.417 -0.912 1.00 . A A . 2 ASP O 1 1
1 27 1 1 2 ASP OD1 O 7.972 -8.309 0.196 1.00 . A A . 2 ASP OD1 1 1
1 28 1 1 2 ASP OD2 O 9.886 -7.620 1.008 1.00 . A A . 2 ASP OD2 1 1
1 29 1 1 3 B3K C C 5.292 -2.113 0.174 1.00 . A A . 3 B3K C 1 1
1 30 1 1 3 B3K CA C 6.501 -2.333 1.044 1.00 . A A . 3 B3K CA 1 1
1 31 1 1 3 B3K CB C 6.758 -3.814 1.308 1.00 . A A . 3 B3K CB 1 1
1 32 1 1 3 B3K CD C 7.106 -5.445 3.258 1.00 . A A . 3 B3K CD 1 1
1 33 1 1 3 B3K CE C 5.957 -6.342 2.830 1.00 . A A . 3 B3K CE 1 1
1 34 1 1 3 B3K CF C 6.146 -7.770 3.314 1.00 . A A . 3 B3K CF 1 1
1 35 1 1 3 B3K CG C 6.881 -4.002 2.827 1.00 . A A . 3 B3K CG 1 1
1 36 1 1 3 B3K H H 8.839 -3.965 1.003 1.00 . A A . 3 B3K H 1 1
1 37 1 1 3 B3K HA1 H 6.342 -1.832 1.986 1.00 . A A . 3 B3K HA1 1 1
1 38 1 1 3 B3K HA2 H 7.361 -1.905 0.549 1.00 . A A . 3 B3K HA2 1 1
1 39 1 1 3 B3K HB H 5.937 -4.411 0.888 1.00 . A A . 3 B3K HB 1 1
1 40 1 1 3 B3K HD2 H 7.197 -5.478 4.334 1.00 . A A . 3 B3K HD2 1 1
1 41 1 1 3 B3K HD3 H 8.018 -5.807 2.808 1.00 . A A . 3 B3K HD3 1 1
1 42 1 1 3 B3K HE2 H 5.899 -6.343 1.751 1.00 . A A . 3 B3K HE2 1 1
1 43 1 1 3 B3K HE3 H 5.038 -5.954 3.240 1.00 . A A . 3 B3K HE3 1 1
1 44 1 1 3 B3K HF1 H 5.314 -8.366 2.968 1.00 . A A . 3 B3K HF1 1 1
1 45 1 1 3 B3K HF2 H 6.164 -7.772 4.393 1.00 . A A . 3 B3K HF2 1 1
1 46 1 1 3 B3K HG2 H 5.975 -3.647 3.294 1.00 . A A . 3 B3K HG2 1 1
1 47 1 1 3 B3K HG3 H 7.711 -3.411 3.183 1.00 . A A . 3 B3K HG3 1 1
1 48 1 1 3 B3K HNZ1 H 7.467 -8.282 1.771 1.00 . A A . 3 B3K HNZ1 1 1
1 49 1 1 3 B3K HNZ2 H 7.452 -9.377 3.061 1.00 . A A . 3 B3K HNZ2 1 1
1 50 1 1 3 B3K N N 7.966 -4.253 0.653 1.00 . A A . 3 B3K N 1 1
1 51 1 1 3 B3K NZ N 7.410 -8.370 2.811 1.00 . A A . 3 B3K NZ 1 1
1 52 1 1 3 B3K O O 4.176 -2.522 0.513 1.00 . A A . 3 B3K O 1 1
1 53 1 1 4 CYS C C 3.986 -2.580 -2.501 1.00 . A A . 4 CYS C 1 1
1 54 1 1 4 CYS CA C 4.477 -1.255 -1.947 1.00 . A A . 4 CYS CA 1 1
1 55 1 1 4 CYS CB C 4.982 -0.376 -3.095 1.00 . A A . 4 CYS CB 1 1
1 56 1 1 4 CYS H H 6.429 -1.155 -1.162 1.00 . A A . 4 CYS H 1 1
1 57 1 1 4 CYS HA H 3.658 -0.756 -1.451 1.00 . A A . 4 CYS HA 1 1
1 58 1 1 4 CYS HB2 H 5.794 -0.881 -3.595 1.00 . A A . 4 CYS HB2 1 1
1 59 1 1 4 CYS HB3 H 4.176 -0.225 -3.797 1.00 . A A . 4 CYS HB3 1 1
1 60 1 1 4 CYS N N 5.523 -1.478 -0.969 1.00 . A A . 4 CYS N 1 1
1 61 1 1 4 CYS O O 2.793 -2.861 -2.455 1.00 . A A . 4 CYS O 1 1
1 62 1 1 4 CYS SG S 5.587 1.265 -2.586 1.00 . A A . 4 CYS SG 1 1
1 63 1 1 5 LYS C C 3.630 -5.484 -2.816 1.00 . A A . 5 LYS C 1 1
1 64 1 1 5 LYS CA C 4.605 -4.661 -3.646 1.00 . A A . 5 LYS CA 1 1
1 65 1 1 5 LYS CB C 5.879 -5.466 -3.903 1.00 . A A . 5 LYS CB 1 1
1 66 1 1 5 LYS CD C 8.157 -5.552 -4.967 1.00 . A A . 5 LYS CD 1 1
1 67 1 1 5 LYS CE C 7.937 -6.977 -5.451 1.00 . A A . 5 LYS CE 1 1
1 68 1 1 5 LYS CG C 6.847 -4.787 -4.856 1.00 . A A . 5 LYS CG 1 1
1 69 1 1 5 LYS H H 5.871 -3.141 -2.886 1.00 . A A . 5 LYS H 1 1
1 70 1 1 5 LYS HA H 4.143 -4.429 -4.593 1.00 . A A . 5 LYS HA 1 1
1 71 1 1 5 LYS HB2 H 6.385 -5.627 -2.964 1.00 . A A . 5 LYS HB2 1 1
1 72 1 1 5 LYS HB3 H 5.604 -6.421 -4.323 1.00 . A A . 5 LYS HB3 1 1
1 73 1 1 5 LYS HD2 H 8.800 -5.042 -5.668 1.00 . A A . 5 LYS HD2 1 1
1 74 1 1 5 LYS HD3 H 8.628 -5.580 -3.997 1.00 . A A . 5 LYS HD3 1 1
1 75 1 1 5 LYS HE2 H 7.314 -7.493 -4.738 1.00 . A A . 5 LYS HE2 1 1
1 76 1 1 5 LYS HE3 H 7.438 -6.946 -6.407 1.00 . A A . 5 LYS HE3 1 1
1 77 1 1 5 LYS HG2 H 6.392 -4.729 -5.833 1.00 . A A . 5 LYS HG2 1 1
1 78 1 1 5 LYS HG3 H 7.051 -3.791 -4.493 1.00 . A A . 5 LYS HG3 1 1
1 79 1 1 5 LYS HZ1 H 9.030 -8.686 -5.935 1.00 . A A . 5 LYS HZ1 1 1
1 80 1 1 5 LYS HZ2 H 9.706 -7.776 -4.682 1.00 . A A . 5 LYS HZ2 1 1
1 81 1 1 5 LYS HZ3 H 9.833 -7.240 -6.280 1.00 . A A . 5 LYS HZ3 1 1
1 82 1 1 5 LYS N N 4.926 -3.396 -2.986 1.00 . A A . 5 LYS N 1 1
1 83 1 1 5 LYS NZ N 9.216 -7.719 -5.597 1.00 . A A . 5 LYS NZ 1 1
1 84 1 1 5 LYS O O 2.462 -5.626 -3.181 1.00 . A A . 5 LYS O 1 1
1 85 1 1 6 B3E C C 1.915 -5.639 0.960 1.00 . A A . 6 B3E C 1 1
1 86 1 1 6 B3E CA C 3.237 -6.266 0.587 1.00 . A A . 6 B3E CA 1 1
1 87 1 1 6 B3E CB C 3.241 -6.802 -0.840 1.00 . A A . 6 B3E CB 1 1
1 88 1 1 6 B3E CD C 3.695 -8.929 -2.165 1.00 . A A . 6 B3E CD 1 1
1 89 1 1 6 B3E CE C 4.292 -10.317 -2.150 1.00 . A A . 6 B3E CE 1 1
1 90 1 1 6 B3E CG C 3.734 -8.253 -0.806 1.00 . A A . 6 B3E CG 1 1
1 91 1 1 6 B3E H H 5.040 -5.870 -1.445 1.00 . A A . 6 B3E H 1 1
1 92 1 1 6 B3E HA1 H 3.434 -7.079 1.268 1.00 . A A . 6 B3E HA1 1 1
1 93 1 1 6 B3E HA2 H 4.009 -5.518 0.689 1.00 . A A . 6 B3E HA2 1 1
1 94 1 1 6 B3E HB H 2.228 -6.726 -1.263 1.00 . A A . 6 B3E HB 1 1
1 95 1 1 6 B3E HD2 H 4.246 -8.324 -2.870 1.00 . A A . 6 B3E HD2 1 1
1 96 1 1 6 B3E HD3 H 2.667 -9.004 -2.486 1.00 . A A . 6 B3E HD3 1 1
1 97 1 1 6 B3E HG2 H 3.114 -8.816 -0.127 1.00 . A A . 6 B3E HG2 1 1
1 98 1 1 6 B3E HG3 H 4.753 -8.267 -0.447 1.00 . A A . 6 B3E HG3 1 1
1 99 1 1 6 B3E N N 4.097 -6.017 -1.697 1.00 . A A . 6 B3E N 1 1
1 100 1 1 6 B3E O O 0.941 -6.327 1.300 1.00 . A A . 6 B3E O 1 1
1 101 1 1 6 B3E OF1 O 3.611 -11.260 -1.697 1.00 . A A . 6 B3E OF1 1 1
1 102 1 1 6 B3E OF2 O 5.439 -10.479 -2.620 1.00 . A A . 6 B3E OF2 1 1
1 103 1 1 7 LEU C C -0.283 -3.553 0.020 1.00 . A A . 7 LEU C 1 1
1 104 1 1 7 LEU CA C 0.681 -3.563 1.200 1.00 . A A . 7 LEU CA 1 1
1 105 1 1 7 LEU CB C 1.039 -2.133 1.610 1.00 . A A . 7 LEU CB 1 1
1 106 1 1 7 LEU CD1 C 2.377 -0.586 3.055 1.00 . A A . 7 LEU CD1 1 1
1 107 1 1 7 LEU CD2 C 1.183 -2.509 4.090 1.00 . A A . 7 LEU CD2 1 1
1 108 1 1 7 LEU CG C 1.923 -2.020 2.856 1.00 . A A . 7 LEU CG 1 1
1 109 1 1 7 LEU H H 2.691 -3.826 0.609 1.00 . A A . 7 LEU H 1 1
1 110 1 1 7 LEU HA H 0.200 -4.054 2.032 1.00 . A A . 7 LEU HA 1 1
1 111 1 1 7 LEU HB2 H 1.553 -1.663 0.784 1.00 . A A . 7 LEU HB2 1 1
1 112 1 1 7 LEU HB3 H 0.124 -1.594 1.796 1.00 . A A . 7 LEU HB3 1 1
1 113 1 1 7 LEU HD11 H 1.514 0.053 3.163 1.00 . A A . 7 LEU HD11 1 1
1 114 1 1 7 LEU HD12 H 2.956 -0.272 2.200 1.00 . A A . 7 LEU HD12 1 1
1 115 1 1 7 LEU HD13 H 2.985 -0.523 3.945 1.00 . A A . 7 LEU HD13 1 1
1 116 1 1 7 LEU HD21 H 0.925 -3.550 3.969 1.00 . A A . 7 LEU HD21 1 1
1 117 1 1 7 LEU HD22 H 0.282 -1.928 4.221 1.00 . A A . 7 LEU HD22 1 1
1 118 1 1 7 LEU HD23 H 1.815 -2.392 4.957 1.00 . A A . 7 LEU HD23 1 1
1 119 1 1 7 LEU HG H 2.802 -2.635 2.726 1.00 . A A . 7 LEU HG 1 1
1 120 1 1 7 LEU N N 1.879 -4.314 0.884 1.00 . A A . 7 LEU N 1 1
1 121 1 1 7 LEU O O -1.472 -3.818 0.192 1.00 . A A . 7 LEU O 1 1
1 122 1 1 8 LYS C C -1.158 -4.663 -2.603 1.00 . A A . 8 LYS C 1 1
1 123 1 1 8 LYS CA C -0.615 -3.261 -2.373 1.00 . A A . 8 LYS CA 1 1
1 124 1 1 8 LYS CB C 0.158 -2.772 -3.600 1.00 . A A . 8 LYS CB 1 1
1 125 1 1 8 LYS CD C 0.087 -1.960 -5.974 1.00 . A A . 8 LYS CD 1 1
1 126 1 1 8 LYS CE C -0.801 -1.439 -7.093 1.00 . A A . 8 LYS CE 1 1
1 127 1 1 8 LYS CG C -0.731 -2.387 -4.766 1.00 . A A . 8 LYS CG 1 1
1 128 1 1 8 LYS H H 1.186 -3.062 -1.269 1.00 . A A . 8 LYS H 1 1
1 129 1 1 8 LYS HA H -1.444 -2.594 -2.186 1.00 . A A . 8 LYS HA 1 1
1 130 1 1 8 LYS HB2 H 0.743 -1.908 -3.320 1.00 . A A . 8 LYS HB2 1 1
1 131 1 1 8 LYS HB3 H 0.826 -3.556 -3.927 1.00 . A A . 8 LYS HB3 1 1
1 132 1 1 8 LYS HD2 H 0.771 -1.180 -5.678 1.00 . A A . 8 LYS HD2 1 1
1 133 1 1 8 LYS HD3 H 0.644 -2.811 -6.337 1.00 . A A . 8 LYS HD3 1 1
1 134 1 1 8 LYS HE2 H -1.370 -0.599 -6.721 1.00 . A A . 8 LYS HE2 1 1
1 135 1 1 8 LYS HE3 H -0.175 -1.112 -7.908 1.00 . A A . 8 LYS HE3 1 1
1 136 1 1 8 LYS HG2 H -1.336 -3.235 -5.037 1.00 . A A . 8 LYS HG2 1 1
1 137 1 1 8 LYS HG3 H -1.368 -1.568 -4.466 1.00 . A A . 8 LYS HG3 1 1
1 138 1 1 8 LYS HZ1 H -2.367 -2.072 -8.316 1.00 . A A . 8 LYS HZ1 1 1
1 139 1 1 8 LYS HZ2 H -2.327 -2.836 -6.811 1.00 . A A . 8 LYS HZ2 1 1
1 140 1 1 8 LYS HZ3 H -1.214 -3.270 -8.008 1.00 . A A . 8 LYS HZ3 1 1
1 141 1 1 8 LYS N N 0.228 -3.266 -1.182 1.00 . A A . 8 LYS N 1 1
1 142 1 1 8 LYS NZ N -1.743 -2.476 -7.590 1.00 . A A . 8 LYS NZ 1 1
1 143 1 1 8 LYS O O -2.331 -4.849 -2.921 1.00 . A A . 8 LYS O 1 1
1 144 1 1 9 B3K C C -1.494 -8.290 -0.530 1.00 . A A . 9 B3K C 1 1
1 145 1 1 9 B3K CA C -0.298 -7.773 -1.291 1.00 . A A . 9 B3K CA 1 1
1 146 1 1 9 B3K CB C -0.663 -7.033 -2.574 1.00 . A A . 9 B3K CB 1 1
1 147 1 1 9 B3K CD C -0.119 -7.062 -5.084 1.00 . A A . 9 B3K CD 1 1
1 148 1 1 9 B3K CE C 0.662 -7.781 -6.176 1.00 . A A . 9 B3K CE 1 1
1 149 1 1 9 B3K CF C 2.164 -7.731 -5.925 1.00 . A A . 9 B3K CF 1 1
1 150 1 1 9 B3K CG C 0.097 -7.708 -3.725 1.00 . A A . 9 B3K CG 1 1
1 151 1 1 9 B3K H H 0.661 -5.420 -2.278 1.00 . A A . 9 B3K H 1 1
1 152 1 1 9 B3K HA1 H 0.331 -8.613 -1.542 1.00 . A A . 9 B3K HA1 1 1
1 153 1 1 9 B3K HA2 H 0.246 -7.103 -0.644 1.00 . A A . 9 B3K HA2 1 1
1 154 1 1 9 B3K HB H -1.749 -7.063 -2.725 1.00 . A A . 9 B3K HB 1 1
1 155 1 1 9 B3K HD2 H 0.206 -6.032 -5.040 1.00 . A A . 9 B3K HD2 1 1
1 156 1 1 9 B3K HD3 H -1.171 -7.098 -5.326 1.00 . A A . 9 B3K HD3 1 1
1 157 1 1 9 B3K HE2 H 0.451 -7.311 -7.125 1.00 . A A . 9 B3K HE2 1 1
1 158 1 1 9 B3K HE3 H 0.350 -8.814 -6.207 1.00 . A A . 9 B3K HE3 1 1
1 159 1 1 9 B3K HF1 H 2.373 -8.193 -4.971 1.00 . A A . 9 B3K HF1 1 1
1 160 1 1 9 B3K HF2 H 2.480 -6.700 -5.900 1.00 . A A . 9 B3K HF2 1 1
1 161 1 1 9 B3K HG2 H -0.215 -8.740 -3.789 1.00 . A A . 9 B3K HG2 1 1
1 162 1 1 9 B3K HG3 H 1.153 -7.677 -3.504 1.00 . A A . 9 B3K HG3 1 1
1 163 1 1 9 B3K HNZ1 H 3.951 -8.368 -6.801 1.00 . A A . 9 B3K HNZ1 1 1
1 164 1 1 9 B3K HNZ2 H 2.723 -8.035 -7.914 1.00 . A A . 9 B3K HNZ2 1 1
1 165 1 1 9 B3K N N -0.281 -5.644 -2.455 1.00 . A A . 9 B3K N 1 1
1 166 1 1 9 B3K NZ N 2.929 -8.445 -6.982 1.00 . A A . 9 B3K NZ 1 1
1 167 1 1 9 B3K O O -2.321 -9.033 -1.060 1.00 . A A . 9 B3K O 1 1
1 168 1 1 10 ARG C C -3.923 -7.576 1.488 1.00 . A A . 10 ARG C 1 1
1 169 1 1 10 ARG CA C -2.626 -8.364 1.632 1.00 . A A . 10 ARG CA 1 1
1 170 1 1 10 ARG CB C -2.148 -8.286 3.082 1.00 . A A . 10 ARG CB 1 1
1 171 1 1 10 ARG CD C -0.576 -9.094 4.859 1.00 . A A . 10 ARG CD 1 1
1 172 1 1 10 ARG CG C -0.975 -9.197 3.397 1.00 . A A . 10 ARG CG 1 1
1 173 1 1 10 ARG CZ C -0.668 -6.943 6.083 1.00 . A A . 10 ARG CZ 1 1
1 174 1 1 10 ARG H H -0.919 -7.230 1.070 1.00 . A A . 10 ARG H 1 1
1 175 1 1 10 ARG HA H -2.819 -9.394 1.384 1.00 . A A . 10 ARG HA 1 1
1 176 1 1 10 ARG HB2 H -1.853 -7.267 3.296 1.00 . A A . 10 ARG HB2 1 1
1 177 1 1 10 ARG HB3 H -2.968 -8.553 3.729 1.00 . A A . 10 ARG HB3 1 1
1 178 1 1 10 ARG HD2 H -1.439 -9.315 5.468 1.00 . A A . 10 ARG HD2 1 1
1 179 1 1 10 ARG HD3 H 0.198 -9.822 5.059 1.00 . A A . 10 ARG HD3 1 1
1 180 1 1 10 ARG HE H 0.762 -7.470 4.780 1.00 . A A . 10 ARG HE 1 1
1 181 1 1 10 ARG HG2 H -1.254 -10.217 3.180 1.00 . A A . 10 ARG HG2 1 1
1 182 1 1 10 ARG HG3 H -0.133 -8.912 2.783 1.00 . A A . 10 ARG HG3 1 1
1 183 1 1 10 ARG HH11 H -2.274 -6.655 7.296 1.00 . A A . 10 ARG HH11 1 1
1 184 1 1 10 ARG HH12 H -2.282 -8.137 6.395 1.00 . A A . 10 ARG HH12 1 1
1 185 1 1 10 ARG HH21 H -0.546 -5.162 7.045 1.00 . A A . 10 ARG HH21 1 1
1 186 1 1 10 ARG HH22 H 0.769 -5.516 5.967 1.00 . A A . 10 ARG HH22 1 1
1 187 1 1 10 ARG N N -1.584 -7.877 0.732 1.00 . A A . 10 ARG N 1 1
1 188 1 1 10 ARG NE N -0.078 -7.760 5.207 1.00 . A A . 10 ARG NE 1 1
1 189 1 1 10 ARG NH1 N -1.833 -7.274 6.635 1.00 . A A . 10 ARG NH1 1 1
1 190 1 1 10 ARG NH2 N -0.104 -5.780 6.386 1.00 . A A . 10 ARG NH2 1 1
1 191 1 1 10 ARG O O -4.998 -8.066 1.829 1.00 . A A . 10 ARG O 1 1
1 192 1 1 11 TYR C C -5.577 -5.540 -0.526 1.00 . A A . 11 TYR C 1 1
1 193 1 1 11 TYR CA C -4.992 -5.492 0.880 1.00 . A A . 11 TYR CA 1 1
1 194 1 1 11 TYR CB C -4.618 -4.062 1.268 1.00 . A A . 11 TYR CB 1 1
1 195 1 1 11 TYR CD1 C -4.970 -4.186 3.763 1.00 . A A . 11 TYR CD1 1 1
1 196 1 1 11 TYR CD2 C -2.806 -3.595 2.966 1.00 . A A . 11 TYR CD2 1 1
1 197 1 1 11 TYR CE1 C -4.524 -4.083 5.066 1.00 . A A . 11 TYR CE1 1 1
1 198 1 1 11 TYR CE2 C -2.352 -3.489 4.266 1.00 . A A . 11 TYR CE2 1 1
1 199 1 1 11 TYR CG C -4.121 -3.946 2.692 1.00 . A A . 11 TYR CG 1 1
1 200 1 1 11 TYR CZ C -3.215 -3.734 5.312 1.00 . A A . 11 TYR CZ 1 1
1 201 1 1 11 TYR H H -2.956 -6.031 0.674 1.00 . A A . 11 TYR H 1 1
1 202 1 1 11 TYR HA H -5.733 -5.859 1.573 1.00 . A A . 11 TYR HA 1 1
1 203 1 1 11 TYR HB2 H -3.836 -3.710 0.612 1.00 . A A . 11 TYR HB2 1 1
1 204 1 1 11 TYR HB3 H -5.484 -3.428 1.163 1.00 . A A . 11 TYR HB3 1 1
1 205 1 1 11 TYR HD1 H -5.995 -4.462 3.567 1.00 . A A . 11 TYR HD1 1 1
1 206 1 1 11 TYR HD2 H -2.134 -3.404 2.144 1.00 . A A . 11 TYR HD2 1 1
1 207 1 1 11 TYR HE1 H -5.203 -4.273 5.885 1.00 . A A . 11 TYR HE1 1 1
1 208 1 1 11 TYR HE2 H -1.327 -3.216 4.458 1.00 . A A . 11 TYR HE2 1 1
1 209 1 1 11 TYR HH H -3.068 -4.400 7.116 1.00 . A A . 11 TYR HH 1 1
1 210 1 1 11 TYR N N -3.826 -6.357 0.986 1.00 . A A . 11 TYR N 1 1
1 211 1 1 11 TYR O O -6.186 -4.577 -0.994 1.00 . A A . 11 TYR O 1 1
1 212 1 1 11 TYR OH O -2.766 -3.630 6.610 1.00 . A A . 11 TYR OH 1 1
1 213 1 1 12 ABA C C -7.390 -6.672 -2.657 1.00 . A A . 12 AIB C 1 1
1 214 1 1 12 ABA CA C -5.881 -6.926 -2.543 1.00 . A A . 12 AIB CA 1 1
1 215 1 1 12 ABA H H -4.966 -7.428 -0.696 1.00 . A A . 12 AIB H 1 1
1 216 1 1 12 ABA N N -5.417 -6.696 -1.167 1.00 . A A . 12 AIB N 1 1
1 217 1 1 12 ABA O O -7.870 -6.175 -3.679 1.00 . A A . 12 AIB O 1 1
1 218 1 1 13 GLY C C -9.995 -5.471 -1.151 1.00 . A A . 13 GLY C 1 1
1 219 1 1 13 GLY CA C -9.568 -6.841 -1.636 1.00 . A A . 13 GLY CA 1 1
1 220 1 1 13 GLY H H -7.697 -7.391 -0.817 1.00 . A A . 13 GLY H 1 1
1 221 1 1 13 GLY HA2 H -9.919 -6.979 -2.648 1.00 . A A . 13 GLY HA2 1 1
1 222 1 1 13 GLY HA3 H -10.020 -7.590 -1.006 1.00 . A A . 13 GLY HA3 1 1
1 223 1 1 13 GLY N N -8.130 -7.016 -1.613 1.00 . A A . 13 GLY N 1 1
1 224 1 1 13 GLY O O -11.183 -5.208 -0.968 1.00 . A A . 13 GLY O 1 1
1 225 1 1 14 CYS C C -8.600 -2.221 -1.337 1.00 . A A . 14 CYS C 1 1
1 226 1 1 14 CYS CA C -9.289 -3.254 -0.459 1.00 . A A . 14 CYS CA 1 1
1 227 1 1 14 CYS CB C -8.797 -3.131 0.980 1.00 . A A . 14 CYS CB 1 1
1 228 1 1 14 CYS H H -8.096 -4.852 -1.144 1.00 . A A . 14 CYS H 1 1
1 229 1 1 14 CYS HA H -10.355 -3.089 -0.487 1.00 . A A . 14 CYS HA 1 1
1 230 1 1 14 CYS HB2 H -7.740 -3.354 1.010 1.00 . A A . 14 CYS HB2 1 1
1 231 1 1 14 CYS HB3 H -8.955 -2.119 1.322 1.00 . A A . 14 CYS HB3 1 1
1 232 1 1 14 CYS N N -9.025 -4.594 -0.952 1.00 . A A . 14 CYS N 1 1
1 233 1 1 14 CYS O O -8.014 -2.566 -2.367 1.00 . A A . 14 CYS O 1 1
1 234 1 1 14 CYS SG S -9.636 -4.253 2.146 1.00 . A A . 14 CYS SG 1 1
1 235 1 1 15 GLU C C -6.598 0.292 -1.118 1.00 . A A . 15 GLU C 1 1
1 236 1 1 15 GLU CA C -8.008 0.106 -1.663 1.00 . A A . 15 GLU CA 1 1
1 237 1 1 15 GLU CB C -8.794 1.409 -1.553 1.00 . A A . 15 GLU CB 1 1
1 238 1 1 15 GLU CD C -9.889 1.166 -3.804 1.00 . A A . 15 GLU CD 1 1
1 239 1 1 15 GLU CG C -10.100 1.391 -2.322 1.00 . A A . 15 GLU CG 1 1
1 240 1 1 15 GLU H H -9.195 -0.736 -0.129 1.00 . A A . 15 GLU H 1 1
1 241 1 1 15 GLU HA H -7.948 -0.185 -2.701 1.00 . A A . 15 GLU HA 1 1
1 242 1 1 15 GLU HB2 H -9.016 1.596 -0.514 1.00 . A A . 15 GLU HB2 1 1
1 243 1 1 15 GLU HB3 H -8.188 2.217 -1.934 1.00 . A A . 15 GLU HB3 1 1
1 244 1 1 15 GLU HG2 H -10.719 0.596 -1.938 1.00 . A A . 15 GLU HG2 1 1
1 245 1 1 15 GLU HG3 H -10.600 2.336 -2.182 1.00 . A A . 15 GLU HG3 1 1
1 246 1 1 15 GLU N N -8.680 -0.958 -0.941 1.00 . A A . 15 GLU N 1 1
1 247 1 1 15 GLU O O -6.396 0.262 0.094 1.00 . A A . 15 GLU O 1 1
1 248 1 1 15 GLU OE1 O -9.577 2.140 -4.521 1.00 . A A . 15 GLU OE1 1 1
1 249 1 1 15 GLU OE2 O -10.022 0.012 -4.260 1.00 . A A . 15 GLU OE2 1 1
1 250 1 1 16 MVA C C -3.273 1.128 -2.657 1.00 . A A . 16 MVA C 1 1
1 251 1 1 16 MVA CA C -4.206 0.621 -1.550 1.00 . A A . 16 MVA CA 1 1
1 252 1 1 16 MVA CB C -3.674 -0.725 -0.990 1.00 . A A . 16 MVA CB 1 1
1 253 1 1 16 MVA CG1 C -3.859 -1.860 -1.988 1.00 . A A . 16 MVA CG1 1 1
1 254 1 1 16 MVA CG2 C -2.213 -0.594 -0.581 1.00 . A A . 16 MVA CG2 1 1
1 255 1 1 16 MVA CN C -5.935 0.636 -3.435 1.00 . A A . 16 MVA CN 1 1
1 256 1 1 16 MVA HA H -4.156 1.336 -0.741 1.00 . A A . 16 MVA HA 1 1
1 257 1 1 16 MVA HB H -4.246 -0.969 -0.106 1.00 . A A . 16 MVA HB 1 1
1 258 1 1 16 MVA HG11 H -4.912 -1.989 -2.195 1.00 . A A . 16 MVA HG11 1 1
1 259 1 1 16 MVA HG12 H -3.459 -2.773 -1.575 1.00 . A A . 16 MVA HG12 1 1
1 260 1 1 16 MVA HG13 H -3.340 -1.620 -2.904 1.00 . A A . 16 MVA HG13 1 1
1 261 1 1 16 MVA HG21 H -2.117 0.180 0.165 1.00 . A A . 16 MVA HG21 1 1
1 262 1 1 16 MVA HG22 H -1.620 -0.333 -1.447 1.00 . A A . 16 MVA HG22 1 1
1 263 1 1 16 MVA HG23 H -1.865 -1.533 -0.177 1.00 . A A . 16 MVA HG23 1 1
1 264 1 1 16 MVA HN1 H -5.070 1.000 -3.969 1.00 . A A . 16 MVA HN1 1 1
1 265 1 1 16 MVA HN2 H -6.750 1.333 -3.553 1.00 . A A . 16 MVA HN2 1 1
1 266 1 1 16 MVA HN3 H -6.221 -0.326 -3.832 1.00 . A A . 16 MVA HN3 1 1
1 267 1 1 16 MVA N N -5.606 0.500 -1.998 1.00 . A A . 16 MVA N 1 1
1 268 1 1 16 MVA O O -3.038 0.466 -3.676 1.00 . A A . 16 MVA O 1 1
1 269 1 1 17 ARG C C -0.562 3.342 -2.758 1.00 . A A . 17 ARG C 1 1
1 270 1 1 17 ARG CA C -1.883 2.968 -3.406 1.00 . A A . 17 ARG CA 1 1
1 271 1 1 17 ARG CB C -2.561 4.223 -3.954 1.00 . A A . 17 ARG CB 1 1
1 272 1 1 17 ARG CD C -4.565 5.263 -5.047 1.00 . A A . 17 ARG CD 1 1
1 273 1 1 17 ARG CG C -3.908 3.964 -4.607 1.00 . A A . 17 ARG CG 1 1
1 274 1 1 17 ARG CZ C -4.518 7.443 -3.886 1.00 . A A . 17 ARG CZ 1 1
1 275 1 1 17 ARG H H -2.904 2.759 -1.573 1.00 . A A . 17 ARG H 1 1
1 276 1 1 17 ARG HA H -1.698 2.277 -4.214 1.00 . A A . 17 ARG HA 1 1
1 277 1 1 17 ARG HB2 H -2.706 4.919 -3.142 1.00 . A A . 17 ARG HB2 1 1
1 278 1 1 17 ARG HB3 H -1.910 4.673 -4.688 1.00 . A A . 17 ARG HB3 1 1
1 279 1 1 17 ARG HD2 H -3.902 5.767 -5.730 1.00 . A A . 17 ARG HD2 1 1
1 280 1 1 17 ARG HD3 H -5.492 5.032 -5.551 1.00 . A A . 17 ARG HD3 1 1
1 281 1 1 17 ARG HE H -5.311 5.762 -3.142 1.00 . A A . 17 ARG HE 1 1
1 282 1 1 17 ARG HG2 H -3.764 3.333 -5.471 1.00 . A A . 17 ARG HG2 1 1
1 283 1 1 17 ARG HG3 H -4.553 3.465 -3.898 1.00 . A A . 17 ARG HG3 1 1
1 284 1 1 17 ARG HH11 H -3.661 7.453 -5.727 1.00 . A A . 17 ARG HH11 1 1
1 285 1 1 17 ARG HH12 H -3.643 8.970 -4.890 1.00 . A A . 17 ARG HH12 1 1
1 286 1 1 17 ARG HH21 H -4.570 9.151 -2.791 1.00 . A A . 17 ARG HH21 1 1
1 287 1 1 17 ARG HH22 H -5.296 7.764 -2.038 1.00 . A A . 17 ARG HH22 1 1
1 288 1 1 17 ARG N N -2.740 2.316 -2.437 1.00 . A A . 17 ARG N 1 1
1 289 1 1 17 ARG NE N -4.846 6.151 -3.918 1.00 . A A . 17 ARG NE 1 1
1 290 1 1 17 ARG NH1 N -3.890 8.000 -4.918 1.00 . A A . 17 ARG NH1 1 1
1 291 1 1 17 ARG NH2 N -4.817 8.177 -2.821 1.00 . A A . 17 ARG NH2 1 1
1 292 1 1 17 ARG O O -0.521 4.149 -1.831 1.00 . A A . 17 ARG O 1 1
1 293 1 1 18 CYS C C 2.598 3.911 -3.660 1.00 . A A . 18 CYS C 1 1
1 294 1 1 18 CYS CA C 1.819 3.042 -2.687 1.00 . A A . 18 CYS CA 1 1
1 295 1 1 18 CYS CB C 2.581 1.753 -2.400 1.00 . A A . 18 CYS CB 1 1
1 296 1 1 18 CYS H H 0.426 2.111 -3.973 1.00 . A A . 18 CYS H 1 1
1 297 1 1 18 CYS HA H 1.680 3.583 -1.763 1.00 . A A . 18 CYS HA 1 1
1 298 1 1 18 CYS HB2 H 1.938 1.080 -1.852 1.00 . A A . 18 CYS HB2 1 1
1 299 1 1 18 CYS HB3 H 2.863 1.295 -3.336 1.00 . A A . 18 CYS HB3 1 1
1 300 1 1 18 CYS N N 0.510 2.749 -3.232 1.00 . A A . 18 CYS N 1 1
1 301 1 1 18 CYS O O 2.594 3.665 -4.868 1.00 . A A . 18 CYS O 1 1
1 302 1 1 18 CYS SG S 4.098 1.996 -1.418 1.00 . A A . 18 CYS SG 1 1
1 303 1 1 19 ASP C C 5.305 6.196 -3.228 1.00 . A A . 19 ASP C 1 1
1 304 1 1 19 ASP CA C 4.037 5.823 -3.972 1.00 . A A . 19 ASP CA 1 1
1 305 1 1 19 ASP CB C 3.243 7.077 -4.340 1.00 . A A . 19 ASP CB 1 1
1 306 1 1 19 ASP CG C 3.913 7.889 -5.430 1.00 . A A . 19 ASP CG 1 1
1 307 1 1 19 ASP H H 3.193 5.099 -2.176 1.00 . A A . 19 ASP H 1 1
1 308 1 1 19 ASP HA H 4.301 5.291 -4.873 1.00 . A A . 19 ASP HA 1 1
1 309 1 1 19 ASP HB2 H 2.262 6.787 -4.685 1.00 . A A . 19 ASP HB2 1 1
1 310 1 1 19 ASP HB3 H 3.142 7.699 -3.463 1.00 . A A . 19 ASP HB3 1 1
1 311 1 1 19 ASP N N 3.241 4.936 -3.145 1.00 . A A . 19 ASP N 1 1
1 312 1 1 19 ASP O O 5.341 7.193 -2.505 1.00 . A A . 19 ASP O 1 1
1 313 1 1 19 ASP OD1 O 4.441 8.983 -5.133 1.00 . A A . 19 ASP OD1 1 1
1 314 1 1 19 ASP OD2 O 3.907 7.447 -6.599 1.00 . A A . 19 ASP OD2 1 1
1 315 1 1 20 DPR C C 7.396 5.602 -1.142 1.00 . A A . 20 DPR C 1 1
1 316 1 1 20 DPR CA C 7.615 5.554 -2.654 1.00 . A A . 20 DPR CA 1 1
1 317 1 1 20 DPR CB C 8.428 4.319 -3.038 1.00 . A A . 20 DPR CB 1 1
1 318 1 1 20 DPR CD C 6.408 4.229 -4.302 1.00 . A A . 20 DPR CD 1 1
1 319 1 1 20 DPR CG C 7.868 3.886 -4.347 1.00 . A A . 20 DPR CG 1 1
1 320 1 1 20 DPR HA H 8.142 6.438 -2.971 1.00 . A A . 20 DPR HA 1 1
1 321 1 1 20 DPR HB2 H 8.304 3.556 -2.286 1.00 . A A . 20 DPR HB2 1 1
1 322 1 1 20 DPR HB3 H 9.470 4.585 -3.122 1.00 . A A . 20 DPR HB3 1 1
1 323 1 1 20 DPR HD2 H 5.836 3.400 -3.912 1.00 . A A . 20 DPR HD2 1 1
1 324 1 1 20 DPR HD3 H 6.057 4.503 -5.286 1.00 . A A . 20 DPR HD3 1 1
1 325 1 1 20 DPR HG2 H 8.000 2.821 -4.470 1.00 . A A . 20 DPR HG2 1 1
1 326 1 1 20 DPR HG3 H 8.354 4.420 -5.149 1.00 . A A . 20 DPR HG3 1 1
1 327 1 1 20 DPR N N 6.358 5.382 -3.385 1.00 . A A . 20 DPR N 1 1
1 328 1 1 20 DPR O O 7.009 4.608 -0.528 1.00 . A A . 20 DPR O 1 1
1 329 1 1 21 PRO C C 5.994 7.023 1.346 1.00 . A A . 21 PRO C 1 1
1 330 1 1 21 PRO CA C 7.461 6.956 0.916 1.00 . A A . 21 PRO CA 1 1
1 331 1 1 21 PRO CB C 8.149 8.297 1.175 1.00 . A A . 21 PRO CB 1 1
1 332 1 1 21 PRO CD C 8.113 7.993 -1.191 1.00 . A A . 21 PRO CD 1 1
1 333 1 1 21 PRO CG C 8.027 9.035 -0.111 1.00 . A A . 21 PRO CG 1 1
1 334 1 1 21 PRO HA H 7.961 6.181 1.474 1.00 . A A . 21 PRO HA 1 1
1 335 1 1 21 PRO HB2 H 7.645 8.813 1.980 1.00 . A A . 21 PRO HB2 1 1
1 336 1 1 21 PRO HB3 H 9.183 8.130 1.438 1.00 . A A . 21 PRO HB3 1 1
1 337 1 1 21 PRO HD2 H 7.474 8.256 -2.021 1.00 . A A . 21 PRO HD2 1 1
1 338 1 1 21 PRO HD3 H 9.134 7.876 -1.521 1.00 . A A . 21 PRO HD3 1 1
1 339 1 1 21 PRO HG2 H 7.075 9.541 -0.155 1.00 . A A . 21 PRO HG2 1 1
1 340 1 1 21 PRO HG3 H 8.834 9.744 -0.208 1.00 . A A . 21 PRO HG3 1 1
1 341 1 1 21 PRO N N 7.632 6.768 -0.528 1.00 . A A . 21 PRO N 1 1
1 342 1 1 21 PRO O O 5.685 6.947 2.536 1.00 . A A . 21 PRO O 1 1
1 343 1 1 22 ARG C C 2.963 5.955 0.634 1.00 . A A . 22 ARG C 1 1
1 344 1 1 22 ARG CA C 3.674 7.293 0.700 1.00 . A A . 22 ARG CA 1 1
1 345 1 1 22 ARG CB C 2.989 8.297 -0.228 1.00 . A A . 22 ARG CB 1 1
1 346 1 1 22 ARG CD C 2.956 10.028 1.599 1.00 . A A . 22 ARG CD 1 1
1 347 1 1 22 ARG CG C 3.263 9.749 0.131 1.00 . A A . 22 ARG CG 1 1
1 348 1 1 22 ARG CZ C 1.473 8.822 3.172 1.00 . A A . 22 ARG CZ 1 1
1 349 1 1 22 ARG H H 5.377 7.160 -0.557 1.00 . A A . 22 ARG H 1 1
1 350 1 1 22 ARG HA H 3.605 7.661 1.712 1.00 . A A . 22 ARG HA 1 1
1 351 1 1 22 ARG HB2 H 3.335 8.128 -1.239 1.00 . A A . 22 ARG HB2 1 1
1 352 1 1 22 ARG HB3 H 1.923 8.132 -0.192 1.00 . A A . 22 ARG HB3 1 1
1 353 1 1 22 ARG HD2 H 3.738 9.598 2.204 1.00 . A A . 22 ARG HD2 1 1
1 354 1 1 22 ARG HD3 H 2.935 11.098 1.750 1.00 . A A . 22 ARG HD3 1 1
1 355 1 1 22 ARG HE H 0.909 9.555 1.394 1.00 . A A . 22 ARG HE 1 1
1 356 1 1 22 ARG HG2 H 4.304 9.964 -0.055 1.00 . A A . 22 ARG HG2 1 1
1 357 1 1 22 ARG HG3 H 2.646 10.386 -0.487 1.00 . A A . 22 ARG HG3 1 1
1 358 1 1 22 ARG HH11 H 2.309 8.225 4.924 1.00 . A A . 22 ARG HH11 1 1
1 359 1 1 22 ARG HH12 H 3.360 9.111 3.863 1.00 . A A . 22 ARG HH12 1 1
1 360 1 1 22 ARG HH21 H 0.141 7.814 4.315 1.00 . A A . 22 ARG HH21 1 1
1 361 1 1 22 ARG HH22 H -0.470 8.368 2.781 1.00 . A A . 22 ARG HH22 1 1
1 362 1 1 22 ARG N N 5.089 7.163 0.385 1.00 . A A . 22 ARG N 1 1
1 363 1 1 22 ARG NE N 1.667 9.462 2.016 1.00 . A A . 22 ARG NE 1 1
1 364 1 1 22 ARG NH1 N 2.461 8.709 4.054 1.00 . A A . 22 ARG NH1 1 1
1 365 1 1 22 ARG NH2 N 0.289 8.294 3.447 1.00 . A A . 22 ARG NH2 1 1
1 366 1 1 22 ARG O O 3.102 5.211 -0.335 1.00 . A A . 22 ARG O 1 1
1 367 1 1 23 TYR C C -0.024 4.699 1.986 1.00 . A A . 23 TYR C 1 1
1 368 1 1 23 TYR CA C 1.455 4.419 1.757 1.00 . A A . 23 TYR CA 1 1
1 369 1 1 23 TYR CB C 1.988 3.551 2.895 1.00 . A A . 23 TYR CB 1 1
1 370 1 1 23 TYR CD1 C 4.390 3.809 3.625 1.00 . A A . 23 TYR CD1 1 1
1 371 1 1 23 TYR CD2 C 3.912 2.308 1.842 1.00 . A A . 23 TYR CD2 1 1
1 372 1 1 23 TYR CE1 C 5.733 3.498 3.533 1.00 . A A . 23 TYR CE1 1 1
1 373 1 1 23 TYR CE2 C 5.252 1.992 1.741 1.00 . A A . 23 TYR CE2 1 1
1 374 1 1 23 TYR CG C 3.458 3.217 2.785 1.00 . A A . 23 TYR CG 1 1
1 375 1 1 23 TYR CZ C 6.159 2.589 2.589 1.00 . A A . 23 TYR CZ 1 1
1 376 1 1 23 TYR H H 2.136 6.304 2.411 1.00 . A A . 23 TYR H 1 1
1 377 1 1 23 TYR HA H 1.576 3.891 0.822 1.00 . A A . 23 TYR HA 1 1
1 378 1 1 23 TYR HB2 H 1.838 4.069 3.831 1.00 . A A . 23 TYR HB2 1 1
1 379 1 1 23 TYR HB3 H 1.437 2.623 2.914 1.00 . A A . 23 TYR HB3 1 1
1 380 1 1 23 TYR HD1 H 4.053 4.521 4.364 1.00 . A A . 23 TYR HD1 1 1
1 381 1 1 23 TYR HD2 H 3.199 1.843 1.177 1.00 . A A . 23 TYR HD2 1 1
1 382 1 1 23 TYR HE1 H 6.441 3.968 4.196 1.00 . A A . 23 TYR HE1 1 1
1 383 1 1 23 TYR HE2 H 5.582 1.281 1.000 1.00 . A A . 23 TYR HE2 1 1
1 384 1 1 23 TYR HH H 7.837 2.060 3.374 1.00 . A A . 23 TYR HH 1 1
1 385 1 1 23 TYR N N 2.200 5.662 1.674 1.00 . A A . 23 TYR N 1 1
1 386 1 1 23 TYR O O -0.449 4.939 3.115 1.00 . A A . 23 TYR O 1 1
1 387 1 1 23 TYR OH O 7.496 2.272 2.495 1.00 . A A . 23 TYR OH 1 1
1 388 1 1 24 GLU C C -2.922 3.513 1.112 1.00 . A A . 24 GLU C 1 1
1 389 1 1 24 GLU CA C -2.237 4.869 1.025 1.00 . A A . 24 GLU CA 1 1
1 390 1 1 24 GLU CB C -2.775 5.646 -0.178 1.00 . A A . 24 GLU CB 1 1
1 391 1 1 24 GLU CD C -2.553 7.892 0.952 1.00 . A A . 24 GLU CD 1 1
1 392 1 1 24 GLU CG C -2.247 7.066 -0.279 1.00 . A A . 24 GLU CG 1 1
1 393 1 1 24 GLU H H -0.403 4.519 0.035 1.00 . A A . 24 GLU H 1 1
1 394 1 1 24 GLU HA H -2.434 5.426 1.926 1.00 . A A . 24 GLU HA 1 1
1 395 1 1 24 GLU HB2 H -2.502 5.121 -1.080 1.00 . A A . 24 GLU HB2 1 1
1 396 1 1 24 GLU HB3 H -3.852 5.688 -0.112 1.00 . A A . 24 GLU HB3 1 1
1 397 1 1 24 GLU HG2 H -1.177 7.029 -0.412 1.00 . A A . 24 GLU HG2 1 1
1 398 1 1 24 GLU HG3 H -2.699 7.544 -1.136 1.00 . A A . 24 GLU HG3 1 1
1 399 1 1 24 GLU N N -0.800 4.681 0.919 1.00 . A A . 24 GLU N 1 1
1 400 1 1 24 GLU O O -2.617 2.620 0.327 1.00 . A A . 24 GLU O 1 1
1 401 1 1 24 GLU OE1 O -3.745 8.036 1.301 1.00 . A A . 24 GLU OE1 1 1
1 402 1 1 24 GLU OE2 O -1.605 8.421 1.567 1.00 . A A . 24 GLU OE2 1 1
1 403 1 1 25 MVA C C -5.843 2.110 2.991 1.00 . A A . 25 MVA C 1 1
1 404 1 1 25 MVA CA C -4.532 2.028 2.198 1.00 . A A . 25 MVA CA 1 1
1 405 1 1 25 MVA CB C -3.601 0.960 2.834 1.00 . A A . 25 MVA CB 1 1
1 406 1 1 25 MVA CG1 C -3.009 1.433 4.154 1.00 . A A . 25 MVA CG1 1 1
1 407 1 1 25 MVA CG2 C -4.347 -0.354 3.019 1.00 . A A . 25 MVA CG2 1 1
1 408 1 1 25 MVA CN C -4.208 4.452 2.956 1.00 . A A . 25 MVA CN 1 1
1 409 1 1 25 MVA HA H -4.788 1.666 1.213 1.00 . A A . 25 MVA HA 1 1
1 410 1 1 25 MVA HB H -2.783 0.782 2.152 1.00 . A A . 25 MVA HB 1 1
1 411 1 1 25 MVA HG11 H -2.381 0.657 4.566 1.00 . A A . 25 MVA HG11 1 1
1 412 1 1 25 MVA HG12 H -3.807 1.657 4.846 1.00 . A A . 25 MVA HG12 1 1
1 413 1 1 25 MVA HG13 H -2.418 2.321 3.984 1.00 . A A . 25 MVA HG13 1 1
1 414 1 1 25 MVA HG21 H -4.700 -0.706 2.059 1.00 . A A . 25 MVA HG21 1 1
1 415 1 1 25 MVA HG22 H -5.189 -0.202 3.677 1.00 . A A . 25 MVA HG22 1 1
1 416 1 1 25 MVA HG23 H -3.682 -1.090 3.448 1.00 . A A . 25 MVA HG23 1 1
1 417 1 1 25 MVA HN1 H -5.073 4.183 3.543 1.00 . A A . 25 MVA HN1 1 1
1 418 1 1 25 MVA HN2 H -4.432 5.326 2.362 1.00 . A A . 25 MVA HN2 1 1
1 419 1 1 25 MVA HN3 H -3.380 4.667 3.616 1.00 . A A . 25 MVA HN3 1 1
1 420 1 1 25 MVA N N -3.851 3.329 2.062 1.00 . A A . 25 MVA N 1 1
1 421 1 1 25 MVA O O -5.867 2.385 4.196 1.00 . A A . 25 MVA O 1 1
1 422 1 1 26 HIS C C -8.823 0.448 2.863 1.00 . A A . 26 HIS C 1 1
1 423 1 1 26 HIS CA C -8.256 1.858 2.897 1.00 . A A . 26 HIS CA 1 1
1 424 1 1 26 HIS CB C -9.194 2.821 2.163 1.00 . A A . 26 HIS CB 1 1
1 425 1 1 26 HIS CD2 C -7.978 4.908 1.212 1.00 . A A . 26 HIS CD2 1 1
1 426 1 1 26 HIS CE1 C -8.421 6.311 2.831 1.00 . A A . 26 HIS CE1 1 1
1 427 1 1 26 HIS CG C -8.715 4.243 2.133 1.00 . A A . 26 HIS CG 1 1
1 428 1 1 26 HIS H H -6.846 1.618 1.342 1.00 . A A . 26 HIS H 1 1
1 429 1 1 26 HIS HA H -8.154 2.172 3.926 1.00 . A A . 26 HIS HA 1 1
1 430 1 1 26 HIS HB2 H -9.308 2.489 1.145 1.00 . A A . 26 HIS HB2 1 1
1 431 1 1 26 HIS HB3 H -10.158 2.806 2.646 1.00 . A A . 26 HIS HB3 1 1
1 432 1 1 26 HIS HD1 H -9.510 4.979 3.945 1.00 . A A . 26 HIS HD1 1 1
1 433 1 1 26 HIS HD2 H -7.604 4.507 0.283 1.00 . A A . 26 HIS HD2 1 1
1 434 1 1 26 HIS HE1 H -8.458 7.206 3.433 1.00 . A A . 26 HIS HE1 1 1
1 435 1 1 26 HIS HE2 H -7.450 6.936 1.140 1.00 . A A . 26 HIS HE2 1 1
1 436 1 1 26 HIS N N -6.936 1.853 2.294 1.00 . A A . 26 HIS N 1 1
1 437 1 1 26 HIS ND1 N -8.977 5.152 3.135 1.00 . A A . 26 HIS ND1 1 1
1 438 1 1 26 HIS NE2 N -7.808 6.188 1.669 1.00 . A A . 26 HIS NE2 1 1
1 439 1 1 26 HIS O O -9.232 -0.045 1.805 1.00 . A A . 26 HIS O 1 1
1 440 1 1 27 CYS C C -9.995 -1.826 5.413 1.00 . A A . 27 CYS C 1 1
1 441 1 1 27 CYS CA C -9.245 -1.588 4.109 1.00 . A A . 27 CYS CA 1 1
1 442 1 1 27 CYS CB C -8.027 -2.506 4.028 1.00 . A A . 27 CYS CB 1 1
1 443 1 1 27 CYS H H -8.528 0.261 4.826 1.00 . A A . 27 CYS H 1 1
1 444 1 1 27 CYS HA H -9.901 -1.797 3.278 1.00 . A A . 27 CYS HA 1 1
1 445 1 1 27 CYS HB2 H -7.406 -2.192 3.203 1.00 . A A . 27 CYS HB2 1 1
1 446 1 1 27 CYS HB3 H -7.466 -2.423 4.947 1.00 . A A . 27 CYS HB3 1 1
1 447 1 1 27 CYS N N -8.822 -0.203 4.014 1.00 . A A . 27 CYS N 1 1
1 448 1 1 27 CYS O O -9.393 -2.088 6.453 1.00 . A A . 27 CYS O 1 1
1 449 1 1 27 CYS SG S -8.430 -4.266 3.777 1.00 . A A . 27 CYS SG 1 1
1 450 1 1 28 NH2 HN1 H -11.724 -1.502 4.497 1.00 . A A . 28 NH2 HN1 1 1
1 451 1 1 28 NH2 HN2 H -11.818 -1.854 6.186 1.00 . A A . 28 NH2 HN2 1 1
1 452 1 1 28 NH2 N N -11.310 -1.715 5.361 1.00 . A A . 28 NH2 N 1 1
2 453 1 1 1 ASN C C 10.509 -3.310 -1.938 1.00 . A A . 1 ASN C 1 1
2 454 1 1 1 ASN CA C 11.224 -1.963 -1.940 1.00 . A A . 1 ASN CA 1 1
2 455 1 1 1 ASN CB C 10.201 -0.831 -1.743 1.00 . A A . 1 ASN CB 1 1
2 456 1 1 1 ASN CG C 9.085 -0.838 -2.777 1.00 . A A . 1 ASN CG 1 1
2 457 1 1 1 ASN H1 H 12.445 -0.855 -3.215 1.00 . A A . 1 ASN H1 1 1
2 458 1 1 1 ASN H2 H 11.313 -1.823 -4.016 1.00 . A A . 1 ASN H2 1 1
2 459 1 1 1 ASN H3 H 12.679 -2.527 -3.315 1.00 . A A . 1 ASN H3 1 1
2 460 1 1 1 ASN HA H 11.936 -1.944 -1.128 1.00 . A A . 1 ASN HA 1 1
2 461 1 1 1 ASN HB2 H 9.755 -0.930 -0.766 1.00 . A A . 1 ASN HB2 1 1
2 462 1 1 1 ASN HB3 H 10.712 0.117 -1.800 1.00 . A A . 1 ASN HB3 1 1
2 463 1 1 1 ASN HD21 H 10.110 0.411 -3.938 1.00 . A A . 1 ASN HD21 1 1
2 464 1 1 1 ASN HD22 H 8.566 -0.092 -4.547 1.00 . A A . 1 ASN HD22 1 1
2 465 1 1 1 ASN N N 11.965 -1.777 -3.208 1.00 . A A . 1 ASN N 1 1
2 466 1 1 1 ASN ND2 N 9.273 -0.099 -3.860 1.00 . A A . 1 ASN ND2 1 1
2 467 1 1 1 ASN O O 10.048 -3.777 -2.979 1.00 . A A . 1 ASN O 1 1
2 468 1 1 1 ASN OD1 O 8.054 -1.488 -2.596 1.00 . A A . 1 ASN OD1 1 1
2 469 1 1 2 ASP C C 8.249 -4.899 -0.297 1.00 . A A . 2 ASP C 1 1
2 470 1 1 2 ASP CA C 9.710 -5.192 -0.613 1.00 . A A . 2 ASP CA 1 1
2 471 1 1 2 ASP CB C 10.331 -6.080 0.478 1.00 . A A . 2 ASP CB 1 1
2 472 1 1 2 ASP CG C 10.304 -5.450 1.860 1.00 . A A . 2 ASP CG 1 1
2 473 1 1 2 ASP H H 10.913 -3.560 0.008 1.00 . A A . 2 ASP H 1 1
2 474 1 1 2 ASP HA H 9.756 -5.714 -1.557 1.00 . A A . 2 ASP HA 1 1
2 475 1 1 2 ASP HB2 H 9.787 -7.011 0.523 1.00 . A A . 2 ASP HB2 1 1
2 476 1 1 2 ASP HB3 H 11.358 -6.285 0.220 1.00 . A A . 2 ASP HB3 1 1
2 477 1 1 2 ASP N N 10.446 -3.941 -0.768 1.00 . A A . 2 ASP N 1 1
2 478 1 1 2 ASP O O 7.346 -5.549 -0.827 1.00 . A A . 2 ASP O 1 1
2 479 1 1 2 ASP OD1 O 9.542 -5.929 2.727 1.00 . A A . 2 ASP OD1 1 1
2 480 1 1 2 ASP OD2 O 11.048 -4.475 2.088 1.00 . A A . 2 ASP OD2 1 1
2 481 1 1 3 B3K C C 5.232 -1.885 -0.347 1.00 . A A . 3 B3K C 1 1
2 482 1 1 3 B3K CA C 6.418 -2.064 0.574 1.00 . A A . 3 B3K CA 1 1
2 483 1 1 3 B3K CB C 6.669 -3.526 0.925 1.00 . A A . 3 B3K CB 1 1
2 484 1 1 3 B3K CD C 6.444 -5.158 2.883 1.00 . A A . 3 B3K CD 1 1
2 485 1 1 3 B3K CE C 6.109 -5.289 4.363 1.00 . A A . 3 B3K CE 1 1
2 486 1 1 3 B3K CF C 7.177 -4.659 5.245 1.00 . A A . 3 B3K CF 1 1
2 487 1 1 3 B3K CG C 6.433 -3.708 2.428 1.00 . A A . 3 B3K CG 1 1
2 488 1 1 3 B3K H H 8.778 -3.449 0.969 1.00 . A A . 3 B3K H 1 1
2 489 1 1 3 B3K HA1 H 6.230 -1.513 1.483 1.00 . A A . 3 B3K HA1 1 1
2 490 1 1 3 B3K HA2 H 7.293 -1.661 0.087 1.00 . A A . 3 B3K HA2 1 1
2 491 1 1 3 B3K HB H 5.990 -4.150 0.349 1.00 . A A . 3 B3K HB 1 1
2 492 1 1 3 B3K HD2 H 7.426 -5.571 2.708 1.00 . A A . 3 B3K HD2 1 1
2 493 1 1 3 B3K HD3 H 5.714 -5.710 2.310 1.00 . A A . 3 B3K HD3 1 1
2 494 1 1 3 B3K HE2 H 6.024 -6.336 4.609 1.00 . A A . 3 B3K HE2 1 1
2 495 1 1 3 B3K HE3 H 5.167 -4.797 4.551 1.00 . A A . 3 B3K HE3 1 1
2 496 1 1 3 B3K HF1 H 6.846 -4.703 6.273 1.00 . A A . 3 B3K HF1 1 1
2 497 1 1 3 B3K HF2 H 7.303 -3.627 4.955 1.00 . A A . 3 B3K HF2 1 1
2 498 1 1 3 B3K HG2 H 5.476 -3.280 2.682 1.00 . A A . 3 B3K HG2 1 1
2 499 1 1 3 B3K HG3 H 7.206 -3.180 2.966 1.00 . A A . 3 B3K HG3 1 1
2 500 1 1 3 B3K HNZ1 H 8.800 -5.375 4.130 1.00 . A A . 3 B3K HNZ1 1 1
2 501 1 1 3 B3K HNZ2 H 8.407 -6.334 5.472 1.00 . A A . 3 B3K HNZ2 1 1
2 502 1 1 3 B3K N N 8.019 -3.915 0.564 1.00 . A A . 3 B3K N 1 1
2 503 1 1 3 B3K NZ N 8.487 -5.355 5.128 1.00 . A A . 3 B3K NZ 1 1
2 504 1 1 3 B3K O O 4.094 -2.222 -0.006 1.00 . A A . 3 B3K O 1 1
2 505 1 1 4 CYS C C 4.132 -2.363 -3.291 1.00 . A A . 4 CYS C 1 1
2 506 1 1 4 CYS CA C 4.489 -1.093 -2.523 1.00 . A A . 4 CYS CA 1 1
2 507 1 1 4 CYS CB C 4.978 0.005 -3.473 1.00 . A A . 4 CYS CB 1 1
2 508 1 1 4 CYS H H 6.454 -1.173 -1.756 1.00 . A A . 4 CYS H 1 1
2 509 1 1 4 CYS HA H 3.612 -0.745 -2.001 1.00 . A A . 4 CYS HA 1 1
2 510 1 1 4 CYS HB2 H 5.271 0.863 -2.889 1.00 . A A . 4 CYS HB2 1 1
2 511 1 1 4 CYS HB3 H 5.839 -0.360 -4.015 1.00 . A A . 4 CYS HB3 1 1
2 512 1 1 4 CYS N N 5.515 -1.370 -1.534 1.00 . A A . 4 CYS N 1 1
2 513 1 1 4 CYS O O 3.016 -2.513 -3.782 1.00 . A A . 4 CYS O 1 1
2 514 1 1 4 CYS SG S 3.755 0.576 -4.703 1.00 . A A . 4 CYS SG 1 1
2 515 1 1 5 LYS C C 3.964 -5.444 -3.126 1.00 . A A . 5 LYS C 1 1
2 516 1 1 5 LYS CA C 4.820 -4.564 -4.031 1.00 . A A . 5 LYS CA 1 1
2 517 1 1 5 LYS CB C 6.130 -5.266 -4.386 1.00 . A A . 5 LYS CB 1 1
2 518 1 1 5 LYS CD C 6.143 -4.708 -6.836 1.00 . A A . 5 LYS CD 1 1
2 519 1 1 5 LYS CE C 6.923 -4.089 -7.984 1.00 . A A . 5 LYS CE 1 1
2 520 1 1 5 LYS CG C 6.891 -4.594 -5.516 1.00 . A A . 5 LYS CG 1 1
2 521 1 1 5 LYS H H 5.971 -3.099 -3.024 1.00 . A A . 5 LYS H 1 1
2 522 1 1 5 LYS HA H 4.269 -4.367 -4.938 1.00 . A A . 5 LYS HA 1 1
2 523 1 1 5 LYS HB2 H 6.765 -5.281 -3.513 1.00 . A A . 5 LYS HB2 1 1
2 524 1 1 5 LYS HB3 H 5.913 -6.281 -4.681 1.00 . A A . 5 LYS HB3 1 1
2 525 1 1 5 LYS HD2 H 5.974 -5.752 -7.053 1.00 . A A . 5 LYS HD2 1 1
2 526 1 1 5 LYS HD3 H 5.194 -4.201 -6.744 1.00 . A A . 5 LYS HD3 1 1
2 527 1 1 5 LYS HE2 H 7.920 -4.502 -7.986 1.00 . A A . 5 LYS HE2 1 1
2 528 1 1 5 LYS HE3 H 6.430 -4.337 -8.912 1.00 . A A . 5 LYS HE3 1 1
2 529 1 1 5 LYS HG2 H 7.020 -3.549 -5.278 1.00 . A A . 5 LYS HG2 1 1
2 530 1 1 5 LYS HG3 H 7.858 -5.065 -5.617 1.00 . A A . 5 LYS HG3 1 1
2 531 1 1 5 LYS HZ1 H 7.465 -2.347 -6.964 1.00 . A A . 5 LYS HZ1 1 1
2 532 1 1 5 LYS HZ2 H 6.069 -2.187 -7.909 1.00 . A A . 5 LYS HZ2 1 1
2 533 1 1 5 LYS HZ3 H 7.586 -2.227 -8.647 1.00 . A A . 5 LYS HZ3 1 1
2 534 1 1 5 LYS N N 5.080 -3.284 -3.388 1.00 . A A . 5 LYS N 1 1
2 535 1 1 5 LYS NZ N 7.017 -2.610 -7.866 1.00 . A A . 5 LYS NZ 1 1
2 536 1 1 5 LYS O O 2.762 -5.600 -3.352 1.00 . A A . 5 LYS O 1 1
2 537 1 1 6 B3E C C 2.692 -5.889 0.882 1.00 . A A . 6 B3E C 1 1
2 538 1 1 6 B3E CA C 4.004 -6.326 0.272 1.00 . A A . 6 B3E CA 1 1
2 539 1 1 6 B3E CB C 3.851 -6.839 -1.157 1.00 . A A . 6 B3E CB 1 1
2 540 1 1 6 B3E CD C 4.252 -8.935 -2.568 1.00 . A A . 6 B3E CD 1 1
2 541 1 1 6 B3E CE C 4.859 -10.323 -2.605 1.00 . A A . 6 B3E CE 1 1
2 542 1 1 6 B3E CG C 4.389 -8.274 -1.206 1.00 . A A . 6 B3E CG 1 1
2 543 1 1 6 B3E H H 5.532 -5.834 -1.942 1.00 . A A . 6 B3E H 1 1
2 544 1 1 6 B3E HA1 H 4.420 -7.113 0.884 1.00 . A A . 6 B3E HA1 1 1
2 545 1 1 6 B3E HA2 H 4.675 -5.483 0.276 1.00 . A A . 6 B3E HA2 1 1
2 546 1 1 6 B3E HB H 2.796 -6.798 -1.446 1.00 . A A . 6 B3E HB 1 1
2 547 1 1 6 B3E HD2 H 4.749 -8.322 -3.304 1.00 . A A . 6 B3E HD2 1 1
2 548 1 1 6 B3E HD3 H 3.204 -9.012 -2.814 1.00 . A A . 6 B3E HD3 1 1
2 549 1 1 6 B3E HG2 H 3.849 -8.870 -0.486 1.00 . A A . 6 B3E HG2 1 1
2 550 1 1 6 B3E HG3 H 5.435 -8.265 -0.939 1.00 . A A . 6 B3E HG3 1 1
2 551 1 1 6 B3E N N 4.575 -6.000 -2.087 1.00 . A A . 6 B3E N 1 1
2 552 1 1 6 B3E O O 1.811 -6.708 1.159 1.00 . A A . 6 B3E O 1 1
2 553 1 1 6 B3E OF1 O 4.149 -11.301 -2.293 1.00 . A A . 6 B3E OF1 1 1
2 554 1 1 6 B3E OF2 O 6.053 -10.445 -2.949 1.00 . A A . 6 B3E OF2 1 1
2 555 1 1 7 LEU C C 0.238 -3.954 0.636 1.00 . A A . 7 LEU C 1 1
2 556 1 1 7 LEU CA C 1.353 -4.018 1.666 1.00 . A A . 7 LEU CA 1 1
2 557 1 1 7 LEU CB C 1.623 -2.625 2.240 1.00 . A A . 7 LEU CB 1 1
2 558 1 1 7 LEU CD1 C 2.875 -1.137 3.817 1.00 . A A . 7 LEU CD1 1 1
2 559 1 1 7 LEU CD2 C 2.232 -3.438 4.538 1.00 . A A . 7 LEU CD2 1 1
2 560 1 1 7 LEU CG C 2.660 -2.570 3.365 1.00 . A A . 7 LEU CG 1 1
2 561 1 1 7 LEU H H 3.282 -3.975 0.808 1.00 . A A . 7 LEU H 1 1
2 562 1 1 7 LEU HA H 1.042 -4.672 2.465 1.00 . A A . 7 LEU HA 1 1
2 563 1 1 7 LEU HB2 H 1.960 -1.986 1.437 1.00 . A A . 7 LEU HB2 1 1
2 564 1 1 7 LEU HB3 H 0.694 -2.231 2.623 1.00 . A A . 7 LEU HB3 1 1
2 565 1 1 7 LEU HD11 H 3.231 -0.547 2.985 1.00 . A A . 7 LEU HD11 1 1
2 566 1 1 7 LEU HD12 H 3.606 -1.115 4.612 1.00 . A A . 7 LEU HD12 1 1
2 567 1 1 7 LEU HD13 H 1.942 -0.728 4.173 1.00 . A A . 7 LEU HD13 1 1
2 568 1 1 7 LEU HD21 H 2.203 -4.472 4.232 1.00 . A A . 7 LEU HD21 1 1
2 569 1 1 7 LEU HD22 H 1.252 -3.134 4.872 1.00 . A A . 7 LEU HD22 1 1
2 570 1 1 7 LEU HD23 H 2.938 -3.323 5.347 1.00 . A A . 7 LEU HD23 1 1
2 571 1 1 7 LEU HG H 3.601 -2.946 2.995 1.00 . A A . 7 LEU HG 1 1
2 572 1 1 7 LEU N N 2.556 -4.579 1.077 1.00 . A A . 7 LEU N 1 1
2 573 1 1 7 LEU O O -0.865 -4.432 0.896 1.00 . A A . 7 LEU O 1 1
2 574 1 1 8 LYS C C -1.046 -4.645 -1.883 1.00 . A A . 8 LYS C 1 1
2 575 1 1 8 LYS CA C -0.454 -3.275 -1.603 1.00 . A A . 8 LYS CA 1 1
2 576 1 1 8 LYS CB C 0.170 -2.699 -2.874 1.00 . A A . 8 LYS CB 1 1
2 577 1 1 8 LYS CD C -0.164 -1.950 -5.249 1.00 . A A . 8 LYS CD 1 1
2 578 1 1 8 LYS CE C -1.172 -1.711 -6.361 1.00 . A A . 8 LYS CE 1 1
2 579 1 1 8 LYS CG C -0.833 -2.474 -3.993 1.00 . A A . 8 LYS CG 1 1
2 580 1 1 8 LYS H H 1.439 -3.036 -0.688 1.00 . A A . 8 LYS H 1 1
2 581 1 1 8 LYS HA H -1.237 -2.617 -1.262 1.00 . A A . 8 LYS HA 1 1
2 582 1 1 8 LYS HB2 H 0.632 -1.751 -2.638 1.00 . A A . 8 LYS HB2 1 1
2 583 1 1 8 LYS HB3 H 0.929 -3.379 -3.231 1.00 . A A . 8 LYS HB3 1 1
2 584 1 1 8 LYS HD2 H 0.331 -1.017 -5.020 1.00 . A A . 8 LYS HD2 1 1
2 585 1 1 8 LYS HD3 H 0.565 -2.673 -5.584 1.00 . A A . 8 LYS HD3 1 1
2 586 1 1 8 LYS HE2 H -1.666 -2.644 -6.588 1.00 . A A . 8 LYS HE2 1 1
2 587 1 1 8 LYS HE3 H -1.901 -0.992 -6.020 1.00 . A A . 8 LYS HE3 1 1
2 588 1 1 8 LYS HG2 H -1.317 -3.411 -4.220 1.00 . A A . 8 LYS HG2 1 1
2 589 1 1 8 LYS HG3 H -1.569 -1.757 -3.662 1.00 . A A . 8 LYS HG3 1 1
2 590 1 1 8 LYS HZ1 H -1.234 -1.016 -8.325 1.00 . A A . 8 LYS HZ1 1 1
2 591 1 1 8 LYS HZ2 H 0.161 -1.893 -7.956 1.00 . A A . 8 LYS HZ2 1 1
2 592 1 1 8 LYS HZ3 H -0.018 -0.310 -7.388 1.00 . A A . 8 LYS HZ3 1 1
2 593 1 1 8 LYS N N 0.536 -3.383 -0.536 1.00 . A A . 8 LYS N 1 1
2 594 1 1 8 LYS NZ N -0.521 -1.197 -7.593 1.00 . A A . 8 LYS NZ 1 1
2 595 1 1 8 LYS O O -2.240 -4.865 -1.694 1.00 . A A . 8 LYS O 1 1
2 596 1 1 9 B3K C C -1.035 -8.309 -0.491 1.00 . A A . 9 B3K C 1 1
2 597 1 1 9 B3K CA C -0.042 -7.864 -1.535 1.00 . A A . 9 B3K CA 1 1
2 598 1 1 9 B3K CB C -0.646 -6.913 -2.569 1.00 . A A . 9 B3K CB 1 1
2 599 1 1 9 B3K CD C -0.697 -8.728 -4.381 1.00 . A A . 9 B3K CD 1 1
2 600 1 1 9 B3K CE C -0.178 -9.130 -5.754 1.00 . A A . 9 B3K CE 1 1
2 601 1 1 9 B3K CF C 1.339 -9.255 -5.770 1.00 . A A . 9 B3K CF 1 1
2 602 1 1 9 B3K CG C -0.172 -7.362 -3.959 1.00 . A A . 9 B3K CG 1 1
2 603 1 1 9 B3K H H 0.740 -5.332 -2.476 1.00 . A A . 9 B3K H 1 1
2 604 1 1 9 B3K HA1 H 0.334 -8.737 -2.041 1.00 . A A . 9 B3K HA1 1 1
2 605 1 1 9 B3K HA2 H 0.774 -7.367 -1.031 1.00 . A A . 9 B3K HA2 1 1
2 606 1 1 9 B3K HB H -1.746 -6.905 -2.477 1.00 . A A . 9 B3K HB 1 1
2 607 1 1 9 B3K HD2 H -1.777 -8.694 -4.411 1.00 . A A . 9 B3K HD2 1 1
2 608 1 1 9 B3K HD3 H -0.380 -9.465 -3.661 1.00 . A A . 9 B3K HD3 1 1
2 609 1 1 9 B3K HE2 H -0.477 -8.383 -6.473 1.00 . A A . 9 B3K HE2 1 1
2 610 1 1 9 B3K HE3 H -0.609 -10.083 -6.025 1.00 . A A . 9 B3K HE3 1 1
2 611 1 1 9 B3K HF1 H 1.636 -9.994 -5.040 1.00 . A A . 9 B3K HF1 1 1
2 612 1 1 9 B3K HF2 H 1.769 -8.301 -5.509 1.00 . A A . 9 B3K HF2 1 1
2 613 1 1 9 B3K HG2 H 0.906 -7.398 -3.962 1.00 . A A . 9 B3K HG2 1 1
2 614 1 1 9 B3K HG3 H -0.500 -6.636 -4.688 1.00 . A A . 9 B3K HG3 1 1
2 615 1 1 9 B3K HNZ1 H 1.577 -8.960 -7.823 1.00 . A A . 9 B3K HNZ1 1 1
2 616 1 1 9 B3K HNZ2 H 1.457 -10.586 -7.374 1.00 . A A . 9 B3K HNZ2 1 1
2 617 1 1 9 B3K N N -0.203 -5.570 -2.318 1.00 . A A . 9 B3K N 1 1
2 618 1 1 9 B3K NZ N 1.850 -9.661 -7.106 1.00 . A A . 9 B3K NZ 1 1
2 619 1 1 9 B3K O O -1.748 -9.297 -0.664 1.00 . A A . 9 B3K O 1 1
2 620 1 1 10 ARG C C -3.340 -7.240 1.486 1.00 . A A . 10 ARG C 1 1
2 621 1 1 10 ARG CA C -1.969 -7.862 1.717 1.00 . A A . 10 ARG CA 1 1
2 622 1 1 10 ARG CB C -1.390 -7.332 3.033 1.00 . A A . 10 ARG CB 1 1
2 623 1 1 10 ARG CD C 0.499 -7.292 4.685 1.00 . A A . 10 ARG CD 1 1
2 624 1 1 10 ARG CG C -0.037 -7.920 3.409 1.00 . A A . 10 ARG CG 1 1
2 625 1 1 10 ARG CZ C 2.587 -7.259 6.002 1.00 . A A . 10 ARG CZ 1 1
2 626 1 1 10 ARG H H -0.487 -6.781 0.672 1.00 . A A . 10 ARG H 1 1
2 627 1 1 10 ARG HA H -2.076 -8.933 1.782 1.00 . A A . 10 ARG HA 1 1
2 628 1 1 10 ARG HB2 H -1.279 -6.261 2.957 1.00 . A A . 10 ARG HB2 1 1
2 629 1 1 10 ARG HB3 H -2.084 -7.552 3.830 1.00 . A A . 10 ARG HB3 1 1
2 630 1 1 10 ARG HD2 H 0.513 -6.219 4.562 1.00 . A A . 10 ARG HD2 1 1
2 631 1 1 10 ARG HD3 H -0.160 -7.550 5.501 1.00 . A A . 10 ARG HD3 1 1
2 632 1 1 10 ARG HE H 2.238 -8.459 4.439 1.00 . A A . 10 ARG HE 1 1
2 633 1 1 10 ARG HG2 H -0.147 -8.984 3.560 1.00 . A A . 10 ARG HG2 1 1
2 634 1 1 10 ARG HG3 H 0.662 -7.738 2.606 1.00 . A A . 10 ARG HG3 1 1
2 635 1 1 10 ARG HH11 H 2.646 -5.946 7.547 1.00 . A A . 10 ARG HH11 1 1
2 636 1 1 10 ARG HH12 H 1.161 -5.973 6.650 1.00 . A A . 10 ARG HH12 1 1
2 637 1 1 10 ARG HH21 H 4.370 -7.354 6.959 1.00 . A A . 10 ARG HH21 1 1
2 638 1 1 10 ARG HH22 H 4.188 -8.439 5.615 1.00 . A A . 10 ARG HH22 1 1
2 639 1 1 10 ARG N N -1.075 -7.562 0.608 1.00 . A A . 10 ARG N 1 1
2 640 1 1 10 ARG NE N 1.852 -7.750 5.005 1.00 . A A . 10 ARG NE 1 1
2 641 1 1 10 ARG NH1 N 2.092 -6.317 6.795 1.00 . A A . 10 ARG NH1 1 1
2 642 1 1 10 ARG NH2 N 3.812 -7.719 6.210 1.00 . A A . 10 ARG NH2 1 1
2 643 1 1 10 ARG O O -4.364 -7.918 1.554 1.00 . A A . 10 ARG O 1 1
2 644 1 1 11 TYR C C -5.200 -5.301 -0.308 1.00 . A A . 11 TYR C 1 1
2 645 1 1 11 TYR CA C -4.575 -5.180 1.079 1.00 . A A . 11 TYR CA 1 1
2 646 1 1 11 TYR CB C -4.289 -3.712 1.398 1.00 . A A . 11 TYR CB 1 1
2 647 1 1 11 TYR CD1 C -4.480 -3.766 3.916 1.00 . A A . 11 TYR CD1 1 1
2 648 1 1 11 TYR CD2 C -2.450 -2.964 2.961 1.00 . A A . 11 TYR CD2 1 1
2 649 1 1 11 TYR CE1 C -3.975 -3.545 5.183 1.00 . A A . 11 TYR CE1 1 1
2 650 1 1 11 TYR CE2 C -1.937 -2.742 4.223 1.00 . A A . 11 TYR CE2 1 1
2 651 1 1 11 TYR CG C -3.728 -3.480 2.785 1.00 . A A . 11 TYR CG 1 1
2 652 1 1 11 TYR CZ C -2.704 -3.034 5.331 1.00 . A A . 11 TYR CZ 1 1
2 653 1 1 11 TYR H H -2.491 -5.504 0.978 1.00 . A A . 11 TYR H 1 1
2 654 1 1 11 TYR HA H -5.267 -5.569 1.810 1.00 . A A . 11 TYR HA 1 1
2 655 1 1 11 TYR HB2 H -3.574 -3.331 0.685 1.00 . A A . 11 TYR HB2 1 1
2 656 1 1 11 TYR HB3 H -5.204 -3.151 1.313 1.00 . A A . 11 TYR HB3 1 1
2 657 1 1 11 TYR HD1 H -5.475 -4.168 3.795 1.00 . A A . 11 TYR HD1 1 1
2 658 1 1 11 TYR HD2 H -1.849 -2.737 2.091 1.00 . A A . 11 TYR HD2 1 1
2 659 1 1 11 TYR HE1 H -4.575 -3.776 6.050 1.00 . A A . 11 TYR HE1 1 1
2 660 1 1 11 TYR HE2 H -0.943 -2.340 4.337 1.00 . A A . 11 TYR HE2 1 1
2 661 1 1 11 TYR HH H -1.695 -1.985 6.597 1.00 . A A . 11 TYR HH 1 1
2 662 1 1 11 TYR N N -3.344 -5.951 1.172 1.00 . A A . 11 TYR N 1 1
2 663 1 1 11 TYR O O -5.821 -4.359 -0.805 1.00 . A A . 11 TYR O 1 1
2 664 1 1 11 TYR OH O -2.192 -2.815 6.592 1.00 . A A . 11 TYR OH 1 1
2 665 1 1 12 ABA C C -7.044 -6.445 -2.380 1.00 . A A . 12 AIB C 1 1
2 666 1 1 12 ABA CA C -5.546 -6.764 -2.260 1.00 . A A . 12 AIB CA 1 1
2 667 1 1 12 ABA H H -4.608 -7.198 -0.407 1.00 . A A . 12 AIB H 1 1
2 668 1 1 12 ABA N N -5.061 -6.483 -0.902 1.00 . A A . 12 AIB N 1 1
2 669 1 1 12 ABA O O -7.513 -6.008 -3.432 1.00 . A A . 12 AIB O 1 1
2 670 1 1 13 GLY C C -9.626 -5.060 -0.903 1.00 . A A . 13 GLY C 1 1
2 671 1 1 13 GLY CA C -9.222 -6.454 -1.342 1.00 . A A . 13 GLY CA 1 1
2 672 1 1 13 GLY H H -7.359 -6.970 -0.479 1.00 . A A . 13 GLY H 1 1
2 673 1 1 13 GLY HA2 H -9.571 -6.616 -2.349 1.00 . A A . 13 GLY HA2 1 1
2 674 1 1 13 GLY HA3 H -9.691 -7.173 -0.691 1.00 . A A . 13 GLY HA3 1 1
2 675 1 1 13 GLY N N -7.787 -6.664 -1.305 1.00 . A A . 13 GLY N 1 1
2 676 1 1 13 GLY O O -10.814 -4.753 -0.796 1.00 . A A . 13 GLY O 1 1
2 677 1 1 14 CYS C C -8.508 -1.868 -1.298 1.00 . A A . 14 CYS C 1 1
2 678 1 1 14 CYS CA C -8.892 -2.855 -0.208 1.00 . A A . 14 CYS CA 1 1
2 679 1 1 14 CYS CB C -8.073 -2.562 1.051 1.00 . A A . 14 CYS CB 1 1
2 680 1 1 14 CYS H H -7.714 -4.512 -0.777 1.00 . A A . 14 CYS H 1 1
2 681 1 1 14 CYS HA H -9.943 -2.754 0.013 1.00 . A A . 14 CYS HA 1 1
2 682 1 1 14 CYS HB2 H -7.025 -2.602 0.801 1.00 . A A . 14 CYS HB2 1 1
2 683 1 1 14 CYS HB3 H -8.312 -1.570 1.404 1.00 . A A . 14 CYS HB3 1 1
2 684 1 1 14 CYS N N -8.642 -4.216 -0.653 1.00 . A A . 14 CYS N 1 1
2 685 1 1 14 CYS O O -7.951 -2.253 -2.328 1.00 . A A . 14 CYS O 1 1
2 686 1 1 14 CYS SG S -8.356 -3.722 2.428 1.00 . A A . 14 CYS SG 1 1
2 687 1 1 15 GLU C C -6.937 0.833 -1.480 1.00 . A A . 15 GLU C 1 1
2 688 1 1 15 GLU CA C -8.341 0.466 -1.934 1.00 . A A . 15 GLU CA 1 1
2 689 1 1 15 GLU CB C -9.249 1.702 -1.861 1.00 . A A . 15 GLU CB 1 1
2 690 1 1 15 GLU CD C -11.434 0.434 -2.037 1.00 . A A . 15 GLU CD 1 1
2 691 1 1 15 GLU CG C -10.580 1.555 -2.584 1.00 . A A . 15 GLU CG 1 1
2 692 1 1 15 GLU H H -9.408 -0.377 -0.315 1.00 . A A . 15 GLU H 1 1
2 693 1 1 15 GLU HA H -8.307 0.100 -2.948 1.00 . A A . 15 GLU HA 1 1
2 694 1 1 15 GLU HB2 H -9.454 1.920 -0.824 1.00 . A A . 15 GLU HB2 1 1
2 695 1 1 15 GLU HB3 H -8.723 2.541 -2.293 1.00 . A A . 15 GLU HB3 1 1
2 696 1 1 15 GLU HG2 H -11.127 2.479 -2.486 1.00 . A A . 15 GLU HG2 1 1
2 697 1 1 15 GLU HG3 H -10.386 1.365 -3.629 1.00 . A A . 15 GLU HG3 1 1
2 698 1 1 15 GLU N N -8.828 -0.602 -1.078 1.00 . A A . 15 GLU N 1 1
2 699 1 1 15 GLU O O -6.766 1.383 -0.396 1.00 . A A . 15 GLU O 1 1
2 700 1 1 15 GLU OE1 O -12.104 0.641 -1.003 1.00 . A A . 15 GLU OE1 1 1
2 701 1 1 15 GLU OE2 O -11.441 -0.657 -2.641 1.00 . A A . 15 GLU OE2 1 1
2 702 1 1 16 MVA C C -3.586 1.251 -2.877 1.00 . A A . 16 MVA C 1 1
2 703 1 1 16 MVA CA C -4.532 0.715 -1.801 1.00 . A A . 16 MVA CA 1 1
2 704 1 1 16 MVA CB C -3.959 -0.595 -1.184 1.00 . A A . 16 MVA CB 1 1
2 705 1 1 16 MVA CG1 C -4.001 -1.759 -2.164 1.00 . A A . 16 MVA CG1 1 1
2 706 1 1 16 MVA CG2 C -2.539 -0.367 -0.682 1.00 . A A . 16 MVA CG2 1 1
2 707 1 1 16 MVA CN C -6.171 0.097 -3.672 1.00 . A A . 16 MVA CN 1 1
2 708 1 1 16 MVA HA H -4.538 1.448 -1.004 1.00 . A A . 16 MVA HA 1 1
2 709 1 1 16 MVA HB H -4.571 -0.858 -0.334 1.00 . A A . 16 MVA HB 1 1
2 710 1 1 16 MVA HG11 H -3.558 -2.631 -1.708 1.00 . A A . 16 MVA HG11 1 1
2 711 1 1 16 MVA HG12 H -3.452 -1.498 -3.054 1.00 . A A . 16 MVA HG12 1 1
2 712 1 1 16 MVA HG13 H -5.027 -1.972 -2.423 1.00 . A A . 16 MVA HG13 1 1
2 713 1 1 16 MVA HG21 H -1.888 -0.169 -1.521 1.00 . A A . 16 MVA HG21 1 1
2 714 1 1 16 MVA HG22 H -2.196 -1.247 -0.157 1.00 . A A . 16 MVA HG22 1 1
2 715 1 1 16 MVA HG23 H -2.526 0.480 -0.012 1.00 . A A . 16 MVA HG23 1 1
2 716 1 1 16 MVA HN1 H -6.787 0.827 -4.174 1.00 . A A . 16 MVA HN1 1 1
2 717 1 1 16 MVA HN2 H -6.680 -0.856 -3.656 1.00 . A A . 16 MVA HN2 1 1
2 718 1 1 16 MVA HN3 H -5.235 -0.005 -4.199 1.00 . A A . 16 MVA HN3 1 1
2 719 1 1 16 MVA N N -5.911 0.541 -2.283 1.00 . A A . 16 MVA N 1 1
2 720 1 1 16 MVA O O -3.254 0.581 -3.859 1.00 . A A . 16 MVA O 1 1
2 721 1 1 17 ARG C C -0.944 3.435 -2.855 1.00 . A A . 17 ARG C 1 1
2 722 1 1 17 ARG CA C -2.248 3.146 -3.574 1.00 . A A . 17 ARG CA 1 1
2 723 1 1 17 ARG CB C -2.863 4.447 -4.087 1.00 . A A . 17 ARG CB 1 1
2 724 1 1 17 ARG CD C -4.795 5.585 -5.224 1.00 . A A . 17 ARG CD 1 1
2 725 1 1 17 ARG CG C -4.216 4.261 -4.754 1.00 . A A . 17 ARG CG 1 1
2 726 1 1 17 ARG CZ C -6.035 7.174 -3.787 1.00 . A A . 17 ARG CZ 1 1
2 727 1 1 17 ARG H H -3.448 2.951 -1.856 1.00 . A A . 17 ARG H 1 1
2 728 1 1 17 ARG HA H -2.056 2.486 -4.405 1.00 . A A . 17 ARG HA 1 1
2 729 1 1 17 ARG HB2 H -2.985 5.124 -3.256 1.00 . A A . 17 ARG HB2 1 1
2 730 1 1 17 ARG HB3 H -2.190 4.890 -4.805 1.00 . A A . 17 ARG HB3 1 1
2 731 1 1 17 ARG HD2 H -4.155 5.992 -5.993 1.00 . A A . 17 ARG HD2 1 1
2 732 1 1 17 ARG HD3 H -5.777 5.406 -5.634 1.00 . A A . 17 ARG HD3 1 1
2 733 1 1 17 ARG HE H -4.080 6.762 -3.634 1.00 . A A . 17 ARG HE 1 1
2 734 1 1 17 ARG HG2 H -4.099 3.607 -5.605 1.00 . A A . 17 ARG HG2 1 1
2 735 1 1 17 ARG HG3 H -4.896 3.812 -4.044 1.00 . A A . 17 ARG HG3 1 1
2 736 1 1 17 ARG HH11 H -7.186 6.281 -5.198 1.00 . A A . 17 ARG HH11 1 1
2 737 1 1 17 ARG HH12 H -8.011 7.408 -4.167 1.00 . A A . 17 ARG HH12 1 1
2 738 1 1 17 ARG HH21 H -6.875 8.513 -2.522 1.00 . A A . 17 ARG HH21 1 1
2 739 1 1 17 ARG HH22 H -5.176 8.243 -2.300 1.00 . A A . 17 ARG HH22 1 1
2 740 1 1 17 ARG N N -3.157 2.480 -2.667 1.00 . A A . 17 ARG N 1 1
2 741 1 1 17 ARG NE N -4.905 6.554 -4.134 1.00 . A A . 17 ARG NE 1 1
2 742 1 1 17 ARG NH1 N -7.167 6.933 -4.436 1.00 . A A . 17 ARG NH1 1 1
2 743 1 1 17 ARG NH2 N -6.028 8.043 -2.789 1.00 . A A . 17 ARG NH2 1 1
2 744 1 1 17 ARG O O -0.895 4.251 -1.935 1.00 . A A . 17 ARG O 1 1
2 745 1 1 18 CYS C C 2.281 3.781 -3.546 1.00 . A A . 18 CYS C 1 1
2 746 1 1 18 CYS CA C 1.402 2.926 -2.649 1.00 . A A . 18 CYS CA 1 1
2 747 1 1 18 CYS CB C 2.053 1.572 -2.375 1.00 . A A . 18 CYS CB 1 1
2 748 1 1 18 CYS H H -0.006 2.087 -3.976 1.00 . A A . 18 CYS H 1 1
2 749 1 1 18 CYS HA H 1.257 3.439 -1.710 1.00 . A A . 18 CYS HA 1 1
2 750 1 1 18 CYS HB2 H 3.097 1.721 -2.141 1.00 . A A . 18 CYS HB2 1 1
2 751 1 1 18 CYS HB3 H 1.560 1.113 -1.532 1.00 . A A . 18 CYS HB3 1 1
2 752 1 1 18 CYS N N 0.098 2.740 -3.251 1.00 . A A . 18 CYS N 1 1
2 753 1 1 18 CYS O O 2.264 3.639 -4.770 1.00 . A A . 18 CYS O 1 1
2 754 1 1 18 CYS SG S 1.959 0.405 -3.771 1.00 . A A . 18 CYS SG 1 1
2 755 1 1 19 ASP C C 5.220 5.761 -2.958 1.00 . A A . 19 ASP C 1 1
2 756 1 1 19 ASP CA C 3.894 5.586 -3.685 1.00 . A A . 19 ASP CA 1 1
2 757 1 1 19 ASP CB C 3.204 6.940 -3.869 1.00 . A A . 19 ASP CB 1 1
2 758 1 1 19 ASP CG C 3.991 7.879 -4.760 1.00 . A A . 19 ASP CG 1 1
2 759 1 1 19 ASP H H 3.017 4.743 -1.956 1.00 . A A . 19 ASP H 1 1
2 760 1 1 19 ASP HA H 4.079 5.147 -4.652 1.00 . A A . 19 ASP HA 1 1
2 761 1 1 19 ASP HB2 H 2.233 6.783 -4.313 1.00 . A A . 19 ASP HB2 1 1
2 762 1 1 19 ASP HB3 H 3.082 7.407 -2.903 1.00 . A A . 19 ASP HB3 1 1
2 763 1 1 19 ASP N N 3.034 4.683 -2.939 1.00 . A A . 19 ASP N 1 1
2 764 1 1 19 ASP O O 5.392 6.698 -2.180 1.00 . A A . 19 ASP O 1 1
2 765 1 1 19 ASP OD1 O 4.540 8.875 -4.242 1.00 . A A . 19 ASP OD1 1 1
2 766 1 1 19 ASP OD2 O 4.077 7.625 -5.978 1.00 . A A . 19 ASP OD2 1 1
2 767 1 1 20 DPR C C 7.293 4.676 -0.999 1.00 . A A . 20 DPR C 1 1
2 768 1 1 20 DPR CA C 7.468 4.860 -2.505 1.00 . A A . 20 DPR CA 1 1
2 769 1 1 20 DPR CB C 8.224 3.674 -3.105 1.00 . A A . 20 DPR CB 1 1
2 770 1 1 20 DPR CD C 6.086 3.748 -4.167 1.00 . A A . 20 DPR CD 1 1
2 771 1 1 20 DPR CG C 7.521 3.366 -4.381 1.00 . A A . 20 DPR CG 1 1
2 772 1 1 20 DPR HA H 8.017 5.767 -2.698 1.00 . A A . 20 DPR HA 1 1
2 773 1 1 20 DPR HB2 H 8.183 2.840 -2.421 1.00 . A A . 20 DPR HB2 1 1
2 774 1 1 20 DPR HB3 H 9.252 3.954 -3.279 1.00 . A A . 20 DPR HB3 1 1
2 775 1 1 20 DPR HD2 H 5.530 2.920 -3.757 1.00 . A A . 20 DPR HD2 1 1
2 776 1 1 20 DPR HD3 H 5.645 4.082 -5.093 1.00 . A A . 20 DPR HD3 1 1
2 777 1 1 20 DPR HG2 H 7.600 2.311 -4.598 1.00 . A A . 20 DPR HG2 1 1
2 778 1 1 20 DPR HG3 H 7.948 3.948 -5.183 1.00 . A A . 20 DPR HG3 1 1
2 779 1 1 20 DPR N N 6.176 4.851 -3.198 1.00 . A A . 20 DPR N 1 1
2 780 1 1 20 DPR O O 6.829 3.630 -0.544 1.00 . A A . 20 DPR O 1 1
2 781 1 1 21 PRO C C 6.059 5.953 1.679 1.00 . A A . 21 PRO C 1 1
2 782 1 1 21 PRO CA C 7.497 5.669 1.243 1.00 . A A . 21 PRO CA 1 1
2 783 1 1 21 PRO CB C 8.428 6.784 1.713 1.00 . A A . 21 PRO CB 1 1
2 784 1 1 21 PRO CD C 8.300 6.941 -0.674 1.00 . A A . 21 PRO CD 1 1
2 785 1 1 21 PRO CG C 8.445 7.757 0.584 1.00 . A A . 21 PRO CG 1 1
2 786 1 1 21 PRO HA H 7.820 4.727 1.659 1.00 . A A . 21 PRO HA 1 1
2 787 1 1 21 PRO HB2 H 8.035 7.229 2.616 1.00 . A A . 21 PRO HB2 1 1
2 788 1 1 21 PRO HB3 H 9.413 6.383 1.902 1.00 . A A . 21 PRO HB3 1 1
2 789 1 1 21 PRO HD2 H 7.670 7.453 -1.384 1.00 . A A . 21 PRO HD2 1 1
2 790 1 1 21 PRO HD3 H 9.269 6.738 -1.105 1.00 . A A . 21 PRO HD3 1 1
2 791 1 1 21 PRO HG2 H 7.620 8.445 0.680 1.00 . A A . 21 PRO HG2 1 1
2 792 1 1 21 PRO HG3 H 9.382 8.292 0.575 1.00 . A A . 21 PRO HG3 1 1
2 793 1 1 21 PRO N N 7.662 5.694 -0.211 1.00 . A A . 21 PRO N 1 1
2 794 1 1 21 PRO O O 5.729 5.863 2.862 1.00 . A A . 21 PRO O 1 1
2 795 1 1 22 ARG C C 2.885 5.477 0.764 1.00 . A A . 22 ARG C 1 1
2 796 1 1 22 ARG CA C 3.826 6.645 1.018 1.00 . A A . 22 ARG CA 1 1
2 797 1 1 22 ARG CB C 3.399 7.852 0.185 1.00 . A A . 22 ARG CB 1 1
2 798 1 1 22 ARG CD C 3.808 9.548 1.988 1.00 . A A . 22 ARG CD 1 1
2 799 1 1 22 ARG CG C 4.121 9.135 0.559 1.00 . A A . 22 ARG CG 1 1
2 800 1 1 22 ARG CZ C 4.567 11.215 3.631 1.00 . A A . 22 ARG CZ 1 1
2 801 1 1 22 ARG H H 5.510 6.289 -0.214 1.00 . A A . 22 ARG H 1 1
2 802 1 1 22 ARG HA H 3.773 6.904 2.064 1.00 . A A . 22 ARG HA 1 1
2 803 1 1 22 ARG HB2 H 3.598 7.645 -0.855 1.00 . A A . 22 ARG HB2 1 1
2 804 1 1 22 ARG HB3 H 2.339 8.009 0.315 1.00 . A A . 22 ARG HB3 1 1
2 805 1 1 22 ARG HD2 H 2.747 9.732 2.072 1.00 . A A . 22 ARG HD2 1 1
2 806 1 1 22 ARG HD3 H 4.086 8.741 2.651 1.00 . A A . 22 ARG HD3 1 1
2 807 1 1 22 ARG HE H 5.019 11.242 1.679 1.00 . A A . 22 ARG HE 1 1
2 808 1 1 22 ARG HG2 H 5.185 8.979 0.464 1.00 . A A . 22 ARG HG2 1 1
2 809 1 1 22 ARG HG3 H 3.808 9.923 -0.110 1.00 . A A . 22 ARG HG3 1 1
2 810 1 1 22 ARG HH11 H 3.947 10.928 5.538 1.00 . A A . 22 ARG HH11 1 1
2 811 1 1 22 ARG HH12 H 3.394 9.750 4.393 1.00 . A A . 22 ARG HH12 1 1
2 812 1 1 22 ARG HH21 H 5.285 12.666 4.848 1.00 . A A . 22 ARG HH21 1 1
2 813 1 1 22 ARG HH22 H 5.751 12.801 3.181 1.00 . A A . 22 ARG HH22 1 1
2 814 1 1 22 ARG N N 5.206 6.288 0.721 1.00 . A A . 22 ARG N 1 1
2 815 1 1 22 ARG NE N 4.529 10.752 2.385 1.00 . A A . 22 ARG NE 1 1
2 816 1 1 22 ARG NH1 N 3.917 10.580 4.598 1.00 . A A . 22 ARG NH1 1 1
2 817 1 1 22 ARG NH2 N 5.254 12.315 3.909 1.00 . A A . 22 ARG NH2 1 1
2 818 1 1 22 ARG O O 3.061 4.721 -0.194 1.00 . A A . 22 ARG O 1 1
2 819 1 1 23 TYR C C -0.488 4.800 1.795 1.00 . A A . 23 TYR C 1 1
2 820 1 1 23 TYR CA C 0.912 4.267 1.524 1.00 . A A . 23 TYR CA 1 1
2 821 1 1 23 TYR CB C 1.220 3.148 2.521 1.00 . A A . 23 TYR CB 1 1
2 822 1 1 23 TYR CD1 C 3.590 2.938 3.348 1.00 . A A . 23 TYR CD1 1 1
2 823 1 1 23 TYR CD2 C 2.971 1.744 1.381 1.00 . A A . 23 TYR CD2 1 1
2 824 1 1 23 TYR CE1 C 4.873 2.441 3.250 1.00 . A A . 23 TYR CE1 1 1
2 825 1 1 23 TYR CE2 C 4.250 1.242 1.277 1.00 . A A . 23 TYR CE2 1 1
2 826 1 1 23 TYR CG C 2.620 2.599 2.417 1.00 . A A . 23 TYR CG 1 1
2 827 1 1 23 TYR CZ C 5.196 1.583 2.240 1.00 . A A . 23 TYR CZ 1 1
2 828 1 1 23 TYR H H 1.812 5.981 2.370 1.00 . A A . 23 TYR H 1 1
2 829 1 1 23 TYR HA H 0.954 3.870 0.521 1.00 . A A . 23 TYR HA 1 1
2 830 1 1 23 TYR HB2 H 1.088 3.526 3.523 1.00 . A A . 23 TYR HB2 1 1
2 831 1 1 23 TYR HB3 H 0.530 2.332 2.356 1.00 . A A . 23 TYR HB3 1 1
2 832 1 1 23 TYR HD1 H 3.329 3.600 4.160 1.00 . A A . 23 TYR HD1 1 1
2 833 1 1 23 TYR HD2 H 2.224 1.471 0.650 1.00 . A A . 23 TYR HD2 1 1
2 834 1 1 23 TYR HE1 H 5.614 2.717 3.983 1.00 . A A . 23 TYR HE1 1 1
2 835 1 1 23 TYR HE2 H 4.504 0.578 0.464 1.00 . A A . 23 TYR HE2 1 1
2 836 1 1 23 TYR HH H 6.805 1.252 1.210 1.00 . A A . 23 TYR HH 1 1
2 837 1 1 23 TYR N N 1.892 5.337 1.631 1.00 . A A . 23 TYR N 1 1
2 838 1 1 23 TYR O O -0.769 5.308 2.882 1.00 . A A . 23 TYR O 1 1
2 839 1 1 23 TYR OH O 6.478 1.101 2.108 1.00 . A A . 23 TYR OH 1 1
2 840 1 1 24 GLU C C -3.639 3.849 0.908 1.00 . A A . 24 GLU C 1 1
2 841 1 1 24 GLU CA C -2.747 5.087 0.972 1.00 . A A . 24 GLU CA 1 1
2 842 1 1 24 GLU CB C -3.134 6.082 -0.125 1.00 . A A . 24 GLU CB 1 1
2 843 1 1 24 GLU CD C -4.516 7.543 1.397 1.00 . A A . 24 GLU CD 1 1
2 844 1 1 24 GLU CG C -4.475 6.757 0.103 1.00 . A A . 24 GLU CG 1 1
2 845 1 1 24 GLU H H -1.065 4.327 -0.055 1.00 . A A . 24 GLU H 1 1
2 846 1 1 24 GLU HA H -2.853 5.557 1.936 1.00 . A A . 24 GLU HA 1 1
2 847 1 1 24 GLU HB2 H -2.375 6.848 -0.185 1.00 . A A . 24 GLU HB2 1 1
2 848 1 1 24 GLU HB3 H -3.178 5.559 -1.066 1.00 . A A . 24 GLU HB3 1 1
2 849 1 1 24 GLU HG2 H -4.670 7.432 -0.717 1.00 . A A . 24 GLU HG2 1 1
2 850 1 1 24 GLU HG3 H -5.243 5.999 0.135 1.00 . A A . 24 GLU HG3 1 1
2 851 1 1 24 GLU N N -1.360 4.688 0.811 1.00 . A A . 24 GLU N 1 1
2 852 1 1 24 GLU O O -3.747 3.223 -0.141 1.00 . A A . 24 GLU O 1 1
2 853 1 1 24 GLU OE1 O -5.415 7.288 2.221 1.00 . A A . 24 GLU OE1 1 1
2 854 1 1 24 GLU OE2 O -3.642 8.413 1.599 1.00 . A A . 24 GLU OE2 1 1
2 855 1 1 25 MVA C C -6.384 2.306 2.808 1.00 . A A . 25 MVA C 1 1
2 856 1 1 25 MVA CA C -5.065 2.208 2.032 1.00 . A A . 25 MVA CA 1 1
2 857 1 1 25 MVA CB C -4.231 1.007 2.566 1.00 . A A . 25 MVA CB 1 1
2 858 1 1 25 MVA CG1 C -3.666 1.259 3.956 1.00 . A A . 25 MVA CG1 1 1
2 859 1 1 25 MVA CG2 C -5.071 -0.259 2.560 1.00 . A A . 25 MVA CG2 1 1
2 860 1 1 25 MVA CN C -4.251 4.342 3.216 1.00 . A A . 25 MVA CN 1 1
2 861 1 1 25 MVA HA H -5.330 1.963 1.011 1.00 . A A . 25 MVA HA 1 1
2 862 1 1 25 MVA HB H -3.399 0.855 1.895 1.00 . A A . 25 MVA HB 1 1
2 863 1 1 25 MVA HG11 H -3.112 0.391 4.283 1.00 . A A . 25 MVA HG11 1 1
2 864 1 1 25 MVA HG12 H -4.476 1.450 4.645 1.00 . A A . 25 MVA HG12 1 1
2 865 1 1 25 MVA HG13 H -3.008 2.115 3.928 1.00 . A A . 25 MVA HG13 1 1
2 866 1 1 25 MVA HG21 H -5.924 -0.128 3.208 1.00 . A A . 25 MVA HG21 1 1
2 867 1 1 25 MVA HG22 H -4.475 -1.089 2.913 1.00 . A A . 25 MVA HG22 1 1
2 868 1 1 25 MVA HG23 H -5.411 -0.462 1.556 1.00 . A A . 25 MVA HG23 1 1
2 869 1 1 25 MVA HN1 H -3.236 4.424 3.572 1.00 . A A . 25 MVA HN1 1 1
2 870 1 1 25 MVA HN2 H -4.873 3.916 3.991 1.00 . A A . 25 MVA HN2 1 1
2 871 1 1 25 MVA HN3 H -4.621 5.322 2.957 1.00 . A A . 25 MVA HN3 1 1
2 872 1 1 25 MVA N N -4.289 3.468 2.021 1.00 . A A . 25 MVA N 1 1
2 873 1 1 25 MVA O O -6.424 2.594 4.006 1.00 . A A . 25 MVA O 1 1
2 874 1 1 26 HIS C C -9.513 0.772 2.507 1.00 . A A . 26 HIS C 1 1
2 875 1 1 26 HIS CA C -8.809 2.114 2.667 1.00 . A A . 26 HIS CA 1 1
2 876 1 1 26 HIS CB C -9.628 3.213 1.979 1.00 . A A . 26 HIS CB 1 1
2 877 1 1 26 HIS CD2 C -7.944 5.147 1.582 1.00 . A A . 26 HIS CD2 1 1
2 878 1 1 26 HIS CE1 C -8.899 6.666 2.827 1.00 . A A . 26 HIS CE1 1 1
2 879 1 1 26 HIS CG C -9.053 4.590 2.122 1.00 . A A . 26 HIS CG 1 1
2 880 1 1 26 HIS H H -7.370 1.785 1.154 1.00 . A A . 26 HIS H 1 1
2 881 1 1 26 HIS HA H -8.717 2.342 3.718 1.00 . A A . 26 HIS HA 1 1
2 882 1 1 26 HIS HB2 H -9.697 2.992 0.925 1.00 . A A . 26 HIS HB2 1 1
2 883 1 1 26 HIS HB3 H -10.620 3.222 2.401 1.00 . A A . 26 HIS HB3 1 1
2 884 1 1 26 HIS HD1 H -10.458 5.480 3.420 1.00 . A A . 26 HIS HD1 1 1
2 885 1 1 26 HIS HD2 H -7.247 4.663 0.913 1.00 . A A . 26 HIS HD2 1 1
2 886 1 1 26 HIS HE1 H -9.110 7.596 3.331 1.00 . A A . 26 HIS HE1 1 1
2 887 1 1 26 HIS HE2 H -7.043 6.987 2.023 1.00 . A A . 26 HIS HE2 1 1
2 888 1 1 26 HIS N N -7.472 2.046 2.098 1.00 . A A . 26 HIS N 1 1
2 889 1 1 26 HIS ND1 N -9.629 5.570 2.896 1.00 . A A . 26 HIS ND1 1 1
2 890 1 1 26 HIS NE2 N -7.868 6.437 2.037 1.00 . A A . 26 HIS NE2 1 1
2 891 1 1 26 HIS O O -9.741 0.312 1.388 1.00 . A A . 26 HIS O 1 1
2 892 1 1 27 CYS C C -11.986 -0.964 3.997 1.00 . A A . 27 CYS C 1 1
2 893 1 1 27 CYS CA C -10.528 -1.140 3.599 1.00 . A A . 27 CYS CA 1 1
2 894 1 1 27 CYS CB C -9.850 -2.134 4.539 1.00 . A A . 27 CYS CB 1 1
2 895 1 1 27 CYS H H -9.607 0.543 4.485 1.00 . A A . 27 CYS H 1 1
2 896 1 1 27 CYS HA H -10.484 -1.523 2.590 1.00 . A A . 27 CYS HA 1 1
2 897 1 1 27 CYS HB2 H -9.826 -1.716 5.531 1.00 . A A . 27 CYS HB2 1 1
2 898 1 1 27 CYS HB3 H -10.424 -3.048 4.554 1.00 . A A . 27 CYS HB3 1 1
2 899 1 1 27 CYS N N -9.836 0.140 3.621 1.00 . A A . 27 CYS N 1 1
2 900 1 1 27 CYS O O -12.376 -1.243 5.130 1.00 . A A . 27 CYS O 1 1
2 901 1 1 27 CYS SG S -8.136 -2.562 4.079 1.00 . A A . 27 CYS SG 1 1
2 902 1 1 28 NH2 HN1 H -12.421 -0.304 2.178 1.00 . A A . 28 NH2 HN1 1 1
2 903 1 1 28 NH2 HN2 H -13.743 -0.396 3.286 1.00 . A A . 28 NH2 HN2 1 1
2 904 1 1 28 NH2 N N -12.798 -0.509 3.062 1.00 . A A . 28 NH2 N 1 1
3 905 1 1 1 ASN C C 11.327 -5.309 -1.197 1.00 . A A . 1 ASN C 1 1
3 906 1 1 1 ASN CA C 12.391 -6.070 -0.422 1.00 . A A . 1 ASN CA 1 1
3 907 1 1 1 ASN CB C 12.049 -6.080 1.073 1.00 . A A . 1 ASN CB 1 1
3 908 1 1 1 ASN CG C 13.088 -6.808 1.910 1.00 . A A . 1 ASN CG 1 1
3 909 1 1 1 ASN H1 H 14.446 -5.948 -0.113 1.00 . A A . 1 ASN H1 1 1
3 910 1 1 1 ASN H2 H 13.694 -4.449 -0.342 1.00 . A A . 1 ASN H2 1 1
3 911 1 1 1 ASN H3 H 13.953 -5.473 -1.660 1.00 . A A . 1 ASN H3 1 1
3 912 1 1 1 ASN HA H 12.432 -7.086 -0.786 1.00 . A A . 1 ASN HA 1 1
3 913 1 1 1 ASN HB2 H 11.983 -5.061 1.426 1.00 . A A . 1 ASN HB2 1 1
3 914 1 1 1 ASN HB3 H 11.095 -6.566 1.214 1.00 . A A . 1 ASN HB3 1 1
3 915 1 1 1 ASN HD21 H 11.694 -7.351 3.217 1.00 . A A . 1 ASN HD21 1 1
3 916 1 1 1 ASN HD22 H 13.304 -7.876 3.567 1.00 . A A . 1 ASN HD22 1 1
3 917 1 1 1 ASN N N 13.712 -5.442 -0.649 1.00 . A A . 1 ASN N 1 1
3 918 1 1 1 ASN ND2 N 12.651 -7.407 3.005 1.00 . A A . 1 ASN ND2 1 1
3 919 1 1 1 ASN O O 11.387 -4.086 -1.301 1.00 . A A . 1 ASN O 1 1
3 920 1 1 1 ASN OD1 O 14.273 -6.833 1.576 1.00 . A A . 1 ASN OD1 1 1
3 921 1 1 2 ASP C C 8.080 -5.040 -1.852 1.00 . A A . 2 ASP C 1 1
3 922 1 1 2 ASP CA C 9.343 -5.423 -2.609 1.00 . A A . 2 ASP CA 1 1
3 923 1 1 2 ASP CB C 8.974 -6.370 -3.755 1.00 . A A . 2 ASP CB 1 1
3 924 1 1 2 ASP CG C 10.004 -6.384 -4.863 1.00 . A A . 2 ASP CG 1 1
3 925 1 1 2 ASP H H 10.295 -6.990 -1.540 1.00 . A A . 2 ASP H 1 1
3 926 1 1 2 ASP HA H 9.773 -4.527 -3.029 1.00 . A A . 2 ASP HA 1 1
3 927 1 1 2 ASP HB2 H 8.879 -7.374 -3.368 1.00 . A A . 2 ASP HB2 1 1
3 928 1 1 2 ASP HB3 H 8.028 -6.062 -4.172 1.00 . A A . 2 ASP HB3 1 1
3 929 1 1 2 ASP N N 10.348 -6.028 -1.736 1.00 . A A . 2 ASP N 1 1
3 930 1 1 2 ASP O O 6.970 -5.201 -2.364 1.00 . A A . 2 ASP O 1 1
3 931 1 1 2 ASP OD1 O 9.975 -5.479 -5.722 1.00 . A A . 2 ASP OD1 1 1
3 932 1 1 2 ASP OD2 O 10.859 -7.294 -4.876 1.00 . A A . 2 ASP OD2 1 1
3 933 1 1 3 B3K C C 5.456 -2.345 -0.633 1.00 . A A . 3 B3K C 1 1
3 934 1 1 3 B3K CA C 6.809 -2.613 -0.019 1.00 . A A . 3 B3K CA 1 1
3 935 1 1 3 B3K CB C 7.078 -4.107 0.125 1.00 . A A . 3 B3K CB 1 1
3 936 1 1 3 B3K CD C 7.408 -5.905 1.913 1.00 . A A . 3 B3K CD 1 1
3 937 1 1 3 B3K CE C 7.416 -6.172 3.410 1.00 . A A . 3 B3K CE 1 1
3 938 1 1 3 B3K CF C 7.539 -7.657 3.710 1.00 . A A . 3 B3K CF 1 1
3 939 1 1 3 B3K CG C 7.273 -4.420 1.612 1.00 . A A . 3 B3K CG 1 1
3 940 1 1 3 B3K H H 9.134 -4.371 -0.293 1.00 . A A . 3 B3K H 1 1
3 941 1 1 3 B3K HA1 H 6.840 -2.154 0.958 1.00 . A A . 3 B3K HA1 1 1
3 942 1 1 3 B3K HA2 H 7.567 -2.169 -0.649 1.00 . A A . 3 B3K HA2 1 1
3 943 1 1 3 B3K HB H 6.227 -4.661 -0.281 1.00 . A A . 3 B3K HB 1 1
3 944 1 1 3 B3K HD2 H 8.331 -6.267 1.485 1.00 . A A . 3 B3K HD2 1 1
3 945 1 1 3 B3K HD3 H 6.574 -6.427 1.469 1.00 . A A . 3 B3K HD3 1 1
3 946 1 1 3 B3K HE2 H 6.497 -5.802 3.838 1.00 . A A . 3 B3K HE2 1 1
3 947 1 1 3 B3K HE3 H 8.255 -5.655 3.853 1.00 . A A . 3 B3K HE3 1 1
3 948 1 1 3 B3K HF1 H 8.486 -8.010 3.330 1.00 . A A . 3 B3K HF1 1 1
3 949 1 1 3 B3K HF2 H 6.737 -8.179 3.212 1.00 . A A . 3 B3K HF2 1 1
3 950 1 1 3 B3K HG2 H 6.425 -4.039 2.161 1.00 . A A . 3 B3K HG2 1 1
3 951 1 1 3 B3K HG3 H 8.166 -3.923 1.959 1.00 . A A . 3 B3K HG3 1 1
3 952 1 1 3 B3K HNZ1 H 6.540 -7.655 5.545 1.00 . A A . 3 B3K HNZ1 1 1
3 953 1 1 3 B3K HNZ2 H 8.207 -7.410 5.675 1.00 . A A . 3 B3K HNZ2 1 1
3 954 1 1 3 B3K N N 8.234 -4.508 -0.650 1.00 . A A . 3 B3K N 1 1
3 955 1 1 3 B3K NZ N 7.467 -7.937 5.168 1.00 . A A . 3 B3K NZ 1 1
3 956 1 1 3 B3K O O 4.413 -2.652 -0.043 1.00 . A A . 3 B3K O 1 1
3 957 1 1 4 CYS C C 3.631 -2.834 -3.039 1.00 . A A . 4 CYS C 1 1
3 958 1 1 4 CYS CA C 4.247 -1.525 -2.567 1.00 . A A . 4 CYS CA 1 1
3 959 1 1 4 CYS CB C 4.511 -0.611 -3.769 1.00 . A A . 4 CYS CB 1 1
3 960 1 1 4 CYS H H 6.333 -1.556 -2.252 1.00 . A A . 4 CYS H 1 1
3 961 1 1 4 CYS HA H 3.558 -1.039 -1.894 1.00 . A A . 4 CYS HA 1 1
3 962 1 1 4 CYS HB2 H 5.105 -1.145 -4.495 1.00 . A A . 4 CYS HB2 1 1
3 963 1 1 4 CYS HB3 H 3.566 -0.343 -4.216 1.00 . A A . 4 CYS HB3 1 1
3 964 1 1 4 CYS N N 5.472 -1.790 -1.839 1.00 . A A . 4 CYS N 1 1
3 965 1 1 4 CYS O O 2.443 -3.073 -2.829 1.00 . A A . 4 CYS O 1 1
3 966 1 1 4 CYS SG S 5.390 0.934 -3.368 1.00 . A A . 4 CYS SG 1 1
3 967 1 1 5 LYS C C 3.419 -5.839 -3.095 1.00 . A A . 5 LYS C 1 1
3 968 1 1 5 LYS CA C 3.976 -4.956 -4.198 1.00 . A A . 5 LYS CA 1 1
3 969 1 1 5 LYS CB C 5.095 -5.704 -4.929 1.00 . A A . 5 LYS CB 1 1
3 970 1 1 5 LYS CD C 6.693 -5.793 -6.854 1.00 . A A . 5 LYS CD 1 1
3 971 1 1 5 LYS CE C 7.443 -5.000 -7.911 1.00 . A A . 5 LYS CE 1 1
3 972 1 1 5 LYS CG C 5.741 -4.916 -6.055 1.00 . A A . 5 LYS CG 1 1
3 973 1 1 5 LYS H H 5.407 -3.472 -3.721 1.00 . A A . 5 LYS H 1 1
3 974 1 1 5 LYS HA H 3.185 -4.736 -4.900 1.00 . A A . 5 LYS HA 1 1
3 975 1 1 5 LYS HB2 H 5.863 -5.961 -4.217 1.00 . A A . 5 LYS HB2 1 1
3 976 1 1 5 LYS HB3 H 4.688 -6.612 -5.346 1.00 . A A . 5 LYS HB3 1 1
3 977 1 1 5 LYS HD2 H 7.409 -6.236 -6.180 1.00 . A A . 5 LYS HD2 1 1
3 978 1 1 5 LYS HD3 H 6.125 -6.573 -7.340 1.00 . A A . 5 LYS HD3 1 1
3 979 1 1 5 LYS HE2 H 8.012 -5.686 -8.521 1.00 . A A . 5 LYS HE2 1 1
3 980 1 1 5 LYS HE3 H 6.726 -4.480 -8.527 1.00 . A A . 5 LYS HE3 1 1
3 981 1 1 5 LYS HG2 H 4.970 -4.541 -6.713 1.00 . A A . 5 LYS HG2 1 1
3 982 1 1 5 LYS HG3 H 6.294 -4.089 -5.634 1.00 . A A . 5 LYS HG3 1 1
3 983 1 1 5 LYS HZ1 H 7.839 -3.330 -6.726 1.00 . A A . 5 LYS HZ1 1 1
3 984 1 1 5 LYS HZ2 H 8.874 -3.489 -8.050 1.00 . A A . 5 LYS HZ2 1 1
3 985 1 1 5 LYS HZ3 H 9.070 -4.496 -6.698 1.00 . A A . 5 LYS HZ3 1 1
3 986 1 1 5 LYS N N 4.455 -3.691 -3.651 1.00 . A A . 5 LYS N 1 1
3 987 1 1 5 LYS NZ N 8.370 -4.010 -7.305 1.00 . A A . 5 LYS NZ 1 1
3 988 1 1 5 LYS O O 2.221 -6.110 -3.052 1.00 . A A . 5 LYS O 1 1
3 989 1 1 6 B3E C C 2.530 -5.934 0.692 1.00 . A A . 6 B3E C 1 1
3 990 1 1 6 B3E CA C 3.893 -6.358 0.217 1.00 . A A . 6 B3E CA 1 1
3 991 1 1 6 B3E CB C 3.862 -7.117 -1.104 1.00 . A A . 6 B3E CB 1 1
3 992 1 1 6 B3E CD C 4.979 -9.114 -2.236 1.00 . A A . 6 B3E CD 1 1
3 993 1 1 6 B3E CE C 6.108 -10.116 -2.149 1.00 . A A . 6 B3E CE 1 1
3 994 1 1 6 B3E CG C 4.832 -8.294 -0.966 1.00 . A A . 6 B3E CG 1 1
3 995 1 1 6 B3E H H 5.234 -6.017 -2.269 1.00 . A A . 6 B3E H 1 1
3 996 1 1 6 B3E HA1 H 4.332 -6.993 0.971 1.00 . A A . 6 B3E HA1 1 1
3 997 1 1 6 B3E HA2 H 4.499 -5.474 0.102 1.00 . A A . 6 B3E HA2 1 1
3 998 1 1 6 B3E HB H 2.831 -7.440 -1.332 1.00 . A A . 6 B3E HB 1 1
3 999 1 1 6 B3E HD2 H 5.173 -8.445 -3.062 1.00 . A A . 6 B3E HD2 1 1
3 1000 1 1 6 B3E HD3 H 4.058 -9.646 -2.414 1.00 . A A . 6 B3E HD3 1 1
3 1001 1 1 6 B3E HG2 H 4.477 -8.945 -0.182 1.00 . A A . 6 B3E HG2 1 1
3 1002 1 1 6 B3E HG3 H 5.805 -7.914 -0.692 1.00 . A A . 6 B3E HG3 1 1
3 1003 1 1 6 B3E N N 4.286 -6.276 -2.194 1.00 . A A . 6 B3E N 1 1
3 1004 1 1 6 B3E O O 1.662 -6.763 1.014 1.00 . A A . 6 B3E O 1 1
3 1005 1 1 6 B3E OF1 O 5.844 -11.294 -1.827 1.00 . A A . 6 B3E OF1 1 1
3 1006 1 1 6 B3E OF2 O 7.266 -9.731 -2.410 1.00 . A A . 6 B3E OF2 1 1
3 1007 1 1 7 LEU C C -0.036 -4.262 0.191 1.00 . A A . 7 LEU C 1 1
3 1008 1 1 7 LEU CA C 1.084 -4.063 1.203 1.00 . A A . 7 LEU CA 1 1
3 1009 1 1 7 LEU CB C 1.255 -2.584 1.547 1.00 . A A . 7 LEU CB 1 1
3 1010 1 1 7 LEU CD1 C 2.321 -0.811 2.962 1.00 . A A . 7 LEU CD1 1 1
3 1011 1 1 7 LEU CD2 C 1.889 -3.065 3.938 1.00 . A A . 7 LEU CD2 1 1
3 1012 1 1 7 LEU CG C 2.256 -2.298 2.674 1.00 . A A . 7 LEU CG 1 1
3 1013 1 1 7 LEU H H 3.041 -4.014 0.411 1.00 . A A . 7 LEU H 1 1
3 1014 1 1 7 LEU HA H 0.819 -4.596 2.102 1.00 . A A . 7 LEU HA 1 1
3 1015 1 1 7 LEU HB2 H 1.584 -2.064 0.660 1.00 . A A . 7 LEU HB2 1 1
3 1016 1 1 7 LEU HB3 H 0.295 -2.190 1.841 1.00 . A A . 7 LEU HB3 1 1
3 1017 1 1 7 LEU HD11 H 2.666 -0.290 2.082 1.00 . A A . 7 LEU HD11 1 1
3 1018 1 1 7 LEU HD12 H 3.004 -0.633 3.779 1.00 . A A . 7 LEU HD12 1 1
3 1019 1 1 7 LEU HD13 H 1.337 -0.454 3.231 1.00 . A A . 7 LEU HD13 1 1
3 1020 1 1 7 LEU HD21 H 0.872 -2.833 4.218 1.00 . A A . 7 LEU HD21 1 1
3 1021 1 1 7 LEU HD22 H 2.556 -2.778 4.737 1.00 . A A . 7 LEU HD22 1 1
3 1022 1 1 7 LEU HD23 H 1.980 -4.126 3.756 1.00 . A A . 7 LEU HD23 1 1
3 1023 1 1 7 LEU HG H 3.238 -2.619 2.361 1.00 . A A . 7 LEU HG 1 1
3 1024 1 1 7 LEU N N 2.328 -4.622 0.722 1.00 . A A . 7 LEU N 1 1
3 1025 1 1 7 LEU O O -1.154 -4.586 0.582 1.00 . A A . 7 LEU O 1 1
3 1026 1 1 8 LYS C C -1.290 -5.750 -2.012 1.00 . A A . 8 LYS C 1 1
3 1027 1 1 8 LYS CA C -0.756 -4.330 -2.131 1.00 . A A . 8 LYS CA 1 1
3 1028 1 1 8 LYS CB C -0.207 -4.081 -3.541 1.00 . A A . 8 LYS CB 1 1
3 1029 1 1 8 LYS CD C -2.500 -3.622 -4.482 1.00 . A A . 8 LYS CD 1 1
3 1030 1 1 8 LYS CE C -3.492 -3.933 -5.593 1.00 . A A . 8 LYS CE 1 1
3 1031 1 1 8 LYS CG C -1.198 -4.387 -4.657 1.00 . A A . 8 LYS CG 1 1
3 1032 1 1 8 LYS H H 1.159 -3.811 -1.372 1.00 . A A . 8 LYS H 1 1
3 1033 1 1 8 LYS HA H -1.568 -3.644 -1.946 1.00 . A A . 8 LYS HA 1 1
3 1034 1 1 8 LYS HB2 H 0.085 -3.044 -3.623 1.00 . A A . 8 LYS HB2 1 1
3 1035 1 1 8 LYS HB3 H 0.667 -4.700 -3.687 1.00 . A A . 8 LYS HB3 1 1
3 1036 1 1 8 LYS HD2 H -2.941 -3.895 -3.536 1.00 . A A . 8 LYS HD2 1 1
3 1037 1 1 8 LYS HD3 H -2.287 -2.563 -4.490 1.00 . A A . 8 LYS HD3 1 1
3 1038 1 1 8 LYS HE2 H -3.619 -5.003 -5.654 1.00 . A A . 8 LYS HE2 1 1
3 1039 1 1 8 LYS HE3 H -4.438 -3.473 -5.350 1.00 . A A . 8 LYS HE3 1 1
3 1040 1 1 8 LYS HG2 H -0.756 -4.109 -5.603 1.00 . A A . 8 LYS HG2 1 1
3 1041 1 1 8 LYS HG3 H -1.410 -5.446 -4.655 1.00 . A A . 8 LYS HG3 1 1
3 1042 1 1 8 LYS HZ1 H -2.105 -3.833 -7.149 1.00 . A A . 8 LYS HZ1 1 1
3 1043 1 1 8 LYS HZ2 H -2.946 -2.392 -6.889 1.00 . A A . 8 LYS HZ2 1 1
3 1044 1 1 8 LYS HZ3 H -3.711 -3.689 -7.654 1.00 . A A . 8 LYS HZ3 1 1
3 1045 1 1 8 LYS N N 0.256 -4.094 -1.105 1.00 . A A . 8 LYS N 1 1
3 1046 1 1 8 LYS NZ N -3.030 -3.427 -6.912 1.00 . A A . 8 LYS NZ 1 1
3 1047 1 1 8 LYS O O -2.439 -5.951 -1.639 1.00 . A A . 8 LYS O 1 1
3 1048 1 1 9 B3K C C -1.268 -8.897 0.176 1.00 . A A . 9 B3K C 1 1
3 1049 1 1 9 B3K CA C -0.272 -8.755 -0.944 1.00 . A A . 9 B3K CA 1 1
3 1050 1 1 9 B3K CB C -0.870 -8.103 -2.189 1.00 . A A . 9 B3K CB 1 1
3 1051 1 1 9 B3K CD C 1.129 -8.990 -3.533 1.00 . A A . 9 B3K CD 1 1
3 1052 1 1 9 B3K CE C 1.553 -9.683 -4.818 1.00 . A A . 9 B3K CE 1 1
3 1053 1 1 9 B3K CF C 1.013 -11.102 -4.901 1.00 . A A . 9 B3K CF 1 1
3 1054 1 1 9 B3K CG C -0.387 -8.900 -3.412 1.00 . A A . 9 B3K CG 1 1
3 1055 1 1 9 B3K H H 0.467 -6.521 -2.585 1.00 . A A . 9 B3K H 1 1
3 1056 1 1 9 B3K HA1 H 0.088 -9.738 -1.203 1.00 . A A . 9 B3K HA1 1 1
3 1057 1 1 9 B3K HA2 H 0.554 -8.155 -0.590 1.00 . A A . 9 B3K HA2 1 1
3 1058 1 1 9 B3K HB H -1.971 -8.086 -2.106 1.00 . A A . 9 B3K HB 1 1
3 1059 1 1 9 B3K HD2 H 1.514 -9.546 -2.691 1.00 . A A . 9 B3K HD2 1 1
3 1060 1 1 9 B3K HD3 H 1.540 -7.991 -3.523 1.00 . A A . 9 B3K HD3 1 1
3 1061 1 1 9 B3K HE2 H 2.632 -9.715 -4.858 1.00 . A A . 9 B3K HE2 1 1
3 1062 1 1 9 B3K HE3 H 1.179 -9.119 -5.657 1.00 . A A . 9 B3K HE3 1 1
3 1063 1 1 9 B3K HF1 H -0.066 -11.066 -4.864 1.00 . A A . 9 B3K HF1 1 1
3 1064 1 1 9 B3K HF2 H 1.383 -11.665 -4.057 1.00 . A A . 9 B3K HF2 1 1
3 1065 1 1 9 B3K HG2 H -0.770 -8.429 -4.305 1.00 . A A . 9 B3K HG2 1 1
3 1066 1 1 9 B3K HG3 H -0.780 -9.903 -3.349 1.00 . A A . 9 B3K HG3 1 1
3 1067 1 1 9 B3K HNZ1 H 1.029 -12.734 -6.199 1.00 . A A . 9 B3K HNZ1 1 1
3 1068 1 1 9 B3K HNZ2 H 2.468 -11.851 -6.196 1.00 . A A . 9 B3K HNZ2 1 1
3 1069 1 1 9 B3K N N -0.451 -6.733 -2.300 1.00 . A A . 9 B3K N 1 1
3 1070 1 1 9 B3K NZ N 1.432 -11.777 -6.154 1.00 . A A . 9 B3K NZ 1 1
3 1071 1 1 9 B3K O O -2.096 -9.810 0.187 1.00 . A A . 9 B3K O 1 1
3 1072 1 1 10 ARG C C -3.425 -7.306 1.934 1.00 . A A . 10 ARG C 1 1
3 1073 1 1 10 ARG CA C -2.092 -7.971 2.273 1.00 . A A . 10 ARG CA 1 1
3 1074 1 1 10 ARG CB C -1.447 -7.254 3.464 1.00 . A A . 10 ARG CB 1 1
3 1075 1 1 10 ARG CD C 0.345 -7.227 5.224 1.00 . A A . 10 ARG CD 1 1
3 1076 1 1 10 ARG CG C -0.222 -7.961 4.021 1.00 . A A . 10 ARG CG 1 1
3 1077 1 1 10 ARG CZ C 2.297 -7.411 6.724 1.00 . A A . 10 ARG CZ 1 1
3 1078 1 1 10 ARG H H -0.491 -7.278 1.063 1.00 . A A . 10 ARG H 1 1
3 1079 1 1 10 ARG HA H -2.280 -8.997 2.544 1.00 . A A . 10 ARG HA 1 1
3 1080 1 1 10 ARG HB2 H -1.152 -6.262 3.154 1.00 . A A . 10 ARG HB2 1 1
3 1081 1 1 10 ARG HB3 H -2.175 -7.171 4.253 1.00 . A A . 10 ARG HB3 1 1
3 1082 1 1 10 ARG HD2 H 0.659 -6.240 4.914 1.00 . A A . 10 ARG HD2 1 1
3 1083 1 1 10 ARG HD3 H -0.428 -7.138 5.973 1.00 . A A . 10 ARG HD3 1 1
3 1084 1 1 10 ARG HE H 1.665 -8.844 5.476 1.00 . A A . 10 ARG HE 1 1
3 1085 1 1 10 ARG HG2 H -0.499 -8.960 4.321 1.00 . A A . 10 ARG HG2 1 1
3 1086 1 1 10 ARG HG3 H 0.535 -8.011 3.253 1.00 . A A . 10 ARG HG3 1 1
3 1087 1 1 10 ARG HH11 H 2.704 -5.794 7.873 1.00 . A A . 10 ARG HH11 1 1
3 1088 1 1 10 ARG HH12 H 1.327 -5.633 6.833 1.00 . A A . 10 ARG HH12 1 1
3 1089 1 1 10 ARG HH21 H 3.926 -7.739 7.882 1.00 . A A . 10 ARG HH21 1 1
3 1090 1 1 10 ARG HH22 H 3.481 -9.053 6.842 1.00 . A A . 10 ARG HH22 1 1
3 1091 1 1 10 ARG N N -1.188 -7.974 1.129 1.00 . A A . 10 ARG N 1 1
3 1092 1 1 10 ARG NE N 1.488 -7.930 5.801 1.00 . A A . 10 ARG NE 1 1
3 1093 1 1 10 ARG NH1 N 2.091 -6.181 7.180 1.00 . A A . 10 ARG NH1 1 1
3 1094 1 1 10 ARG NH2 N 3.314 -8.125 7.188 1.00 . A A . 10 ARG NH2 1 1
3 1095 1 1 10 ARG O O -4.491 -7.868 2.193 1.00 . A A . 10 ARG O 1 1
3 1096 1 1 11 TYR C C -5.187 -5.636 -0.262 1.00 . A A . 11 TYR C 1 1
3 1097 1 1 11 TYR CA C -4.542 -5.309 1.085 1.00 . A A . 11 TYR CA 1 1
3 1098 1 1 11 TYR CB C -4.168 -3.828 1.129 1.00 . A A . 11 TYR CB 1 1
3 1099 1 1 11 TYR CD1 C -4.554 -3.357 3.581 1.00 . A A . 11 TYR CD1 1 1
3 1100 1 1 11 TYR CD2 C -2.422 -2.838 2.656 1.00 . A A . 11 TYR CD2 1 1
3 1101 1 1 11 TYR CE1 C -4.139 -2.887 4.812 1.00 . A A . 11 TYR CE1 1 1
3 1102 1 1 11 TYR CE2 C -1.997 -2.373 3.883 1.00 . A A . 11 TYR CE2 1 1
3 1103 1 1 11 TYR CG C -3.705 -3.339 2.483 1.00 . A A . 11 TYR CG 1 1
3 1104 1 1 11 TYR CZ C -2.859 -2.398 4.957 1.00 . A A . 11 TYR CZ 1 1
3 1105 1 1 11 TYR H H -2.486 -5.799 1.018 1.00 . A A . 11 TYR H 1 1
3 1106 1 1 11 TYR HA H -5.251 -5.514 1.872 1.00 . A A . 11 TYR HA 1 1
3 1107 1 1 11 TYR HB2 H -3.369 -3.649 0.427 1.00 . A A . 11 TYR HB2 1 1
3 1108 1 1 11 TYR HB3 H -5.024 -3.242 0.840 1.00 . A A . 11 TYR HB3 1 1
3 1109 1 1 11 TYR HD1 H -5.554 -3.745 3.464 1.00 . A A . 11 TYR HD1 1 1
3 1110 1 1 11 TYR HD2 H -1.748 -2.819 1.812 1.00 . A A . 11 TYR HD2 1 1
3 1111 1 1 11 TYR HE1 H -4.814 -2.909 5.654 1.00 . A A . 11 TYR HE1 1 1
3 1112 1 1 11 TYR HE2 H -0.995 -1.989 3.997 1.00 . A A . 11 TYR HE2 1 1
3 1113 1 1 11 TYR HH H -1.939 -1.109 6.051 1.00 . A A . 11 TYR HH 1 1
3 1114 1 1 11 TYR N N -3.358 -6.128 1.328 1.00 . A A . 11 TYR N 1 1
3 1115 1 1 11 TYR O O -5.704 -4.748 -0.945 1.00 . A A . 11 TYR O 1 1
3 1116 1 1 11 TYR OH O -2.438 -1.926 6.181 1.00 . A A . 11 TYR OH 1 1
3 1117 1 1 12 ABA C C -7.180 -6.918 -2.065 1.00 . A A . 12 AIB C 1 1
3 1118 1 1 12 ABA CA C -5.740 -7.414 -1.879 1.00 . A A . 12 AIB CA 1 1
3 1119 1 1 12 ABA H H -4.772 -7.564 0.005 1.00 . A A . 12 AIB H 1 1
3 1120 1 1 12 ABA N N -5.178 -6.920 -0.611 1.00 . A A . 12 AIB N 1 1
3 1121 1 1 12 ABA O O -7.586 -6.564 -3.174 1.00 . A A . 12 AIB O 1 1
3 1122 1 1 13 GLY C C -9.579 -5.059 -0.679 1.00 . A A . 13 GLY C 1 1
3 1123 1 1 13 GLY CA C -9.336 -6.499 -1.079 1.00 . A A . 13 GLY CA 1 1
3 1124 1 1 13 GLY H H -7.561 -7.131 -0.114 1.00 . A A . 13 GLY H 1 1
3 1125 1 1 13 GLY HA2 H -9.664 -6.637 -2.097 1.00 . A A . 13 GLY HA2 1 1
3 1126 1 1 13 GLY HA3 H -9.918 -7.141 -0.437 1.00 . A A . 13 GLY HA3 1 1
3 1127 1 1 13 GLY N N -7.944 -6.888 -0.984 1.00 . A A . 13 GLY N 1 1
3 1128 1 1 13 GLY O O -10.720 -4.665 -0.437 1.00 . A A . 13 GLY O 1 1
3 1129 1 1 14 CYS C C -8.028 -1.980 -1.317 1.00 . A A . 14 CYS C 1 1
3 1130 1 1 14 CYS CA C -8.635 -2.868 -0.241 1.00 . A A . 14 CYS CA 1 1
3 1131 1 1 14 CYS CB C -7.928 -2.607 1.089 1.00 . A A . 14 CYS CB 1 1
3 1132 1 1 14 CYS H H -7.630 -4.639 -0.816 1.00 . A A . 14 CYS H 1 1
3 1133 1 1 14 CYS HA H -9.682 -2.634 -0.139 1.00 . A A . 14 CYS HA 1 1
3 1134 1 1 14 CYS HB2 H -6.880 -2.817 0.971 1.00 . A A . 14 CYS HB2 1 1
3 1135 1 1 14 CYS HB3 H -8.050 -1.567 1.353 1.00 . A A . 14 CYS HB3 1 1
3 1136 1 1 14 CYS N N -8.519 -4.272 -0.610 1.00 . A A . 14 CYS N 1 1
3 1137 1 1 14 CYS O O -7.212 -2.431 -2.123 1.00 . A A . 14 CYS O 1 1
3 1138 1 1 14 CYS SG S -8.536 -3.608 2.486 1.00 . A A . 14 CYS SG 1 1
3 1139 1 1 15 GLU C C -6.572 0.796 -1.695 1.00 . A A . 15 GLU C 1 1
3 1140 1 1 15 GLU CA C -7.880 0.251 -2.258 1.00 . A A . 15 GLU CA 1 1
3 1141 1 1 15 GLU CB C -8.870 1.395 -2.485 1.00 . A A . 15 GLU CB 1 1
3 1142 1 1 15 GLU CD C -9.959 0.358 -4.514 1.00 . A A . 15 GLU CD 1 1
3 1143 1 1 15 GLU CG C -10.170 0.951 -3.135 1.00 . A A . 15 GLU CG 1 1
3 1144 1 1 15 GLU H H -9.123 -0.430 -0.687 1.00 . A A . 15 GLU H 1 1
3 1145 1 1 15 GLU HA H -7.687 -0.248 -3.194 1.00 . A A . 15 GLU HA 1 1
3 1146 1 1 15 GLU HB2 H -9.106 1.848 -1.532 1.00 . A A . 15 GLU HB2 1 1
3 1147 1 1 15 GLU HB3 H -8.408 2.134 -3.120 1.00 . A A . 15 GLU HB3 1 1
3 1148 1 1 15 GLU HG2 H -10.634 0.205 -2.508 1.00 . A A . 15 GLU HG2 1 1
3 1149 1 1 15 GLU HG3 H -10.824 1.804 -3.222 1.00 . A A . 15 GLU HG3 1 1
3 1150 1 1 15 GLU N N -8.436 -0.720 -1.331 1.00 . A A . 15 GLU N 1 1
3 1151 1 1 15 GLU O O -6.570 1.408 -0.631 1.00 . A A . 15 GLU O 1 1
3 1152 1 1 15 GLU OE1 O -9.879 1.129 -5.492 1.00 . A A . 15 GLU OE1 1 1
3 1153 1 1 15 GLU OE2 O -9.872 -0.884 -4.628 1.00 . A A . 15 GLU OE2 1 1
3 1154 1 1 16 MVA C C -3.160 1.589 -2.809 1.00 . A A . 16 MVA C 1 1
3 1155 1 1 16 MVA CA C -4.140 0.981 -1.798 1.00 . A A . 16 MVA CA 1 1
3 1156 1 1 16 MVA CB C -3.470 -0.219 -1.061 1.00 . A A . 16 MVA CB 1 1
3 1157 1 1 16 MVA CG1 C -3.303 -1.430 -1.960 1.00 . A A . 16 MVA CG1 1 1
3 1158 1 1 16 MVA CG2 C -2.124 0.187 -0.473 1.00 . A A . 16 MVA CG2 1 1
3 1159 1 1 16 MVA CN C -5.517 0.078 -3.771 1.00 . A A . 16 MVA CN 1 1
3 1160 1 1 16 MVA HA H -4.311 1.740 -1.046 1.00 . A A . 16 MVA HA 1 1
3 1161 1 1 16 MVA HB H -4.113 -0.506 -0.242 1.00 . A A . 16 MVA HB 1 1
3 1162 1 1 16 MVA HG11 H -4.272 -1.761 -2.304 1.00 . A A . 16 MVA HG11 1 1
3 1163 1 1 16 MVA HG12 H -2.827 -2.223 -1.408 1.00 . A A . 16 MVA HG12 1 1
3 1164 1 1 16 MVA HG13 H -2.691 -1.165 -2.810 1.00 . A A . 16 MVA HG13 1 1
3 1165 1 1 16 MVA HG21 H -1.689 -0.654 0.046 1.00 . A A . 16 MVA HG21 1 1
3 1166 1 1 16 MVA HG22 H -2.263 1.004 0.220 1.00 . A A . 16 MVA HG22 1 1
3 1167 1 1 16 MVA HG23 H -1.464 0.500 -1.269 1.00 . A A . 16 MVA HG23 1 1
3 1168 1 1 16 MVA HN1 H -4.545 0.144 -4.235 1.00 . A A . 16 MVA HN1 1 1
3 1169 1 1 16 MVA HN2 H -6.228 0.657 -4.341 1.00 . A A . 16 MVA HN2 1 1
3 1170 1 1 16 MVA HN3 H -5.832 -0.954 -3.743 1.00 . A A . 16 MVA HN3 1 1
3 1171 1 1 16 MVA N N -5.441 0.610 -2.390 1.00 . A A . 16 MVA N 1 1
3 1172 1 1 16 MVA O O -2.697 0.936 -3.750 1.00 . A A . 16 MVA O 1 1
3 1173 1 1 17 ARG C C -0.547 3.659 -2.747 1.00 . A A . 17 ARG C 1 1
3 1174 1 1 17 ARG CA C -1.898 3.567 -3.434 1.00 . A A . 17 ARG CA 1 1
3 1175 1 1 17 ARG CB C -2.400 4.976 -3.751 1.00 . A A . 17 ARG CB 1 1
3 1176 1 1 17 ARG CD C -4.099 6.430 -4.895 1.00 . A A . 17 ARG CD 1 1
3 1177 1 1 17 ARG CG C -3.718 5.009 -4.505 1.00 . A A . 17 ARG CG 1 1
3 1178 1 1 17 ARG CZ C -5.405 8.014 -3.511 1.00 . A A . 17 ARG CZ 1 1
3 1179 1 1 17 ARG H H -3.232 3.317 -1.811 1.00 . A A . 17 ARG H 1 1
3 1180 1 1 17 ARG HA H -1.788 3.012 -4.353 1.00 . A A . 17 ARG HA 1 1
3 1181 1 1 17 ARG HB2 H -2.529 5.515 -2.826 1.00 . A A . 17 ARG HB2 1 1
3 1182 1 1 17 ARG HB3 H -1.657 5.481 -4.348 1.00 . A A . 17 ARG HB3 1 1
3 1183 1 1 17 ARG HD2 H -3.311 6.842 -5.508 1.00 . A A . 17 ARG HD2 1 1
3 1184 1 1 17 ARG HD3 H -5.012 6.397 -5.467 1.00 . A A . 17 ARG HD3 1 1
3 1185 1 1 17 ARG HE H -3.549 7.374 -3.087 1.00 . A A . 17 ARG HE 1 1
3 1186 1 1 17 ARG HG2 H -3.622 4.412 -5.400 1.00 . A A . 17 ARG HG2 1 1
3 1187 1 1 17 ARG HG3 H -4.492 4.595 -3.876 1.00 . A A . 17 ARG HG3 1 1
3 1188 1 1 17 ARG HH11 H -6.377 7.356 -5.165 1.00 . A A . 17 ARG HH11 1 1
3 1189 1 1 17 ARG HH12 H -7.261 8.476 -4.180 1.00 . A A . 17 ARG HH12 1 1
3 1190 1 1 17 ARG HH21 H -6.321 9.336 -2.281 1.00 . A A . 17 ARG HH21 1 1
3 1191 1 1 17 ARG HH22 H -4.711 8.876 -1.807 1.00 . A A . 17 ARG HH22 1 1
3 1192 1 1 17 ARG N N -2.839 2.855 -2.588 1.00 . A A . 17 ARG N 1 1
3 1193 1 1 17 ARG NE N -4.296 7.303 -3.733 1.00 . A A . 17 ARG NE 1 1
3 1194 1 1 17 ARG NH1 N -6.428 7.945 -4.354 1.00 . A A . 17 ARG NH1 1 1
3 1195 1 1 17 ARG NH2 N -5.488 8.804 -2.448 1.00 . A A . 17 ARG NH2 1 1
3 1196 1 1 17 ARG O O -0.451 4.093 -1.597 1.00 . A A . 17 ARG O 1 1
3 1197 1 1 18 CYS C C 2.630 4.380 -3.667 1.00 . A A . 18 CYS C 1 1
3 1198 1 1 18 CYS CA C 1.837 3.330 -2.907 1.00 . A A . 18 CYS CA 1 1
3 1199 1 1 18 CYS CB C 2.541 1.977 -3.002 1.00 . A A . 18 CYS CB 1 1
3 1200 1 1 18 CYS H H 0.356 2.881 -4.344 1.00 . A A . 18 CYS H 1 1
3 1201 1 1 18 CYS HA H 1.765 3.622 -1.869 1.00 . A A . 18 CYS HA 1 1
3 1202 1 1 18 CYS HB2 H 1.898 1.215 -2.587 1.00 . A A . 18 CYS HB2 1 1
3 1203 1 1 18 CYS HB3 H 2.735 1.755 -4.039 1.00 . A A . 18 CYS HB3 1 1
3 1204 1 1 18 CYS N N 0.492 3.247 -3.444 1.00 . A A . 18 CYS N 1 1
3 1205 1 1 18 CYS O O 2.753 4.309 -4.891 1.00 . A A . 18 CYS O 1 1
3 1206 1 1 18 CYS SG S 4.132 1.913 -2.112 1.00 . A A . 18 CYS SG 1 1
3 1207 1 1 19 ASP C C 5.205 6.647 -2.737 1.00 . A A . 19 ASP C 1 1
3 1208 1 1 19 ASP CA C 3.954 6.404 -3.566 1.00 . A A . 19 ASP CA 1 1
3 1209 1 1 19 ASP CB C 3.151 7.700 -3.702 1.00 . A A . 19 ASP CB 1 1
3 1210 1 1 19 ASP CG C 3.858 8.728 -4.565 1.00 . A A . 19 ASP CG 1 1
3 1211 1 1 19 ASP H H 3.000 5.383 -1.978 1.00 . A A . 19 ASP H 1 1
3 1212 1 1 19 ASP HA H 4.244 6.063 -4.548 1.00 . A A . 19 ASP HA 1 1
3 1213 1 1 19 ASP HB2 H 2.192 7.478 -4.146 1.00 . A A . 19 ASP HB2 1 1
3 1214 1 1 19 ASP HB3 H 2.999 8.124 -2.720 1.00 . A A . 19 ASP HB3 1 1
3 1215 1 1 19 ASP N N 3.151 5.361 -2.951 1.00 . A A . 19 ASP N 1 1
3 1216 1 1 19 ASP O O 5.182 7.413 -1.769 1.00 . A A . 19 ASP O 1 1
3 1217 1 1 19 ASP OD1 O 4.555 9.601 -4.004 1.00 . A A . 19 ASP OD1 1 1
3 1218 1 1 19 ASP OD2 O 3.738 8.661 -5.807 1.00 . A A . 19 ASP OD2 1 1
3 1219 1 1 20 DPR C C 7.379 5.665 -0.882 1.00 . A A . 20 DPR C 1 1
3 1220 1 1 20 DPR CA C 7.566 6.069 -2.344 1.00 . A A . 20 DPR CA 1 1
3 1221 1 1 20 DPR CB C 8.497 5.088 -3.061 1.00 . A A . 20 DPR CB 1 1
3 1222 1 1 20 DPR CD C 6.434 5.095 -4.264 1.00 . A A . 20 DPR CD 1 1
3 1223 1 1 20 DPR CG C 7.919 4.931 -4.422 1.00 . A A . 20 DPR CG 1 1
3 1224 1 1 20 DPR HA H 7.989 7.057 -2.393 1.00 . A A . 20 DPR HA 1 1
3 1225 1 1 20 DPR HB2 H 8.511 4.149 -2.530 1.00 . A A . 20 DPR HB2 1 1
3 1226 1 1 20 DPR HB3 H 9.494 5.500 -3.101 1.00 . A A . 20 DPR HB3 1 1
3 1227 1 1 20 DPR HD2 H 5.964 4.141 -4.075 1.00 . A A . 20 DPR HD2 1 1
3 1228 1 1 20 DPR HD3 H 6.013 5.558 -5.143 1.00 . A A . 20 DPR HD3 1 1
3 1229 1 1 20 DPR HG2 H 8.148 3.949 -4.807 1.00 . A A . 20 DPR HG2 1 1
3 1230 1 1 20 DPR HG3 H 8.313 5.692 -5.080 1.00 . A A . 20 DPR HG3 1 1
3 1231 1 1 20 DPR N N 6.313 5.981 -3.094 1.00 . A A . 20 DPR N 1 1
3 1232 1 1 20 DPR O O 6.946 4.552 -0.585 1.00 . A A . 20 DPR O 1 1
3 1233 1 1 21 PRO C C 6.104 6.491 1.962 1.00 . A A . 21 PRO C 1 1
3 1234 1 1 21 PRO CA C 7.544 6.336 1.481 1.00 . A A . 21 PRO CA 1 1
3 1235 1 1 21 PRO CB C 8.423 7.417 2.100 1.00 . A A . 21 PRO CB 1 1
3 1236 1 1 21 PRO CD C 8.248 7.916 -0.235 1.00 . A A . 21 PRO CD 1 1
3 1237 1 1 21 PRO CG C 8.374 8.544 1.128 1.00 . A A . 21 PRO CG 1 1
3 1238 1 1 21 PRO HA H 7.915 5.363 1.758 1.00 . A A . 21 PRO HA 1 1
3 1239 1 1 21 PRO HB2 H 8.020 7.705 3.061 1.00 . A A . 21 PRO HB2 1 1
3 1240 1 1 21 PRO HB3 H 9.428 7.045 2.222 1.00 . A A . 21 PRO HB3 1 1
3 1241 1 1 21 PRO HD2 H 7.574 8.488 -0.853 1.00 . A A . 21 PRO HD2 1 1
3 1242 1 1 21 PRO HD3 H 9.217 7.839 -0.705 1.00 . A A . 21 PRO HD3 1 1
3 1243 1 1 21 PRO HG2 H 7.515 9.166 1.332 1.00 . A A . 21 PRO HG2 1 1
3 1244 1 1 21 PRO HG3 H 9.281 9.124 1.191 1.00 . A A . 21 PRO HG3 1 1
3 1245 1 1 21 PRO N N 7.694 6.578 0.045 1.00 . A A . 21 PRO N 1 1
3 1246 1 1 21 PRO O O 5.808 6.284 3.140 1.00 . A A . 21 PRO O 1 1
3 1247 1 1 22 ARG C C 2.927 5.947 0.997 1.00 . A A . 22 ARG C 1 1
3 1248 1 1 22 ARG CA C 3.823 7.094 1.425 1.00 . A A . 22 ARG CA 1 1
3 1249 1 1 22 ARG CB C 3.322 8.408 0.830 1.00 . A A . 22 ARG CB 1 1
3 1250 1 1 22 ARG CD C 3.386 9.607 3.035 1.00 . A A . 22 ARG CD 1 1
3 1251 1 1 22 ARG CG C 3.817 9.637 1.574 1.00 . A A . 22 ARG CG 1 1
3 1252 1 1 22 ARG CZ C 1.399 8.522 4.027 1.00 . A A . 22 ARG CZ 1 1
3 1253 1 1 22 ARG H H 5.481 6.953 0.116 1.00 . A A . 22 ARG H 1 1
3 1254 1 1 22 ARG HA H 3.784 7.167 2.500 1.00 . A A . 22 ARG HA 1 1
3 1255 1 1 22 ARG HB2 H 3.656 8.475 -0.196 1.00 . A A . 22 ARG HB2 1 1
3 1256 1 1 22 ARG HB3 H 2.244 8.409 0.849 1.00 . A A . 22 ARG HB3 1 1
3 1257 1 1 22 ARG HD2 H 3.914 8.811 3.538 1.00 . A A . 22 ARG HD2 1 1
3 1258 1 1 22 ARG HD3 H 3.642 10.552 3.493 1.00 . A A . 22 ARG HD3 1 1
3 1259 1 1 22 ARG HE H 1.352 9.894 2.571 1.00 . A A . 22 ARG HE 1 1
3 1260 1 1 22 ARG HG2 H 4.895 9.665 1.526 1.00 . A A . 22 ARG HG2 1 1
3 1261 1 1 22 ARG HG3 H 3.410 10.519 1.105 1.00 . A A . 22 ARG HG3 1 1
3 1262 1 1 22 ARG HH11 H 1.749 7.205 5.535 1.00 . A A . 22 ARG HH11 1 1
3 1263 1 1 22 ARG HH12 H 3.153 8.015 4.917 1.00 . A A . 22 ARG HH12 1 1
3 1264 1 1 22 ARG HH21 H -0.338 7.687 4.665 1.00 . A A . 22 ARG HH21 1 1
3 1265 1 1 22 ARG HH22 H -0.495 8.843 3.376 1.00 . A A . 22 ARG HH22 1 1
3 1266 1 1 22 ARG N N 5.208 6.857 1.057 1.00 . A A . 22 ARG N 1 1
3 1267 1 1 22 ARG NE N 1.945 9.386 3.172 1.00 . A A . 22 ARG NE 1 1
3 1268 1 1 22 ARG NH1 N 2.162 7.857 4.891 1.00 . A A . 22 ARG NH1 1 1
3 1269 1 1 22 ARG NH2 N 0.084 8.335 4.025 1.00 . A A . 22 ARG NH2 1 1
3 1270 1 1 22 ARG O O 3.077 5.389 -0.091 1.00 . A A . 22 ARG O 1 1
3 1271 1 1 23 TYR C C -0.341 4.918 1.973 1.00 . A A . 23 TYR C 1 1
3 1272 1 1 23 TYR CA C 1.078 4.503 1.630 1.00 . A A . 23 TYR CA 1 1
3 1273 1 1 23 TYR CB C 1.470 3.289 2.470 1.00 . A A . 23 TYR CB 1 1
3 1274 1 1 23 TYR CD1 C 3.908 3.271 3.108 1.00 . A A . 23 TYR CD1 1 1
3 1275 1 1 23 TYR CD2 C 3.230 1.985 1.223 1.00 . A A . 23 TYR CD2 1 1
3 1276 1 1 23 TYR CE1 C 5.213 2.867 2.919 1.00 . A A . 23 TYR CE1 1 1
3 1277 1 1 23 TYR CE2 C 4.533 1.573 1.030 1.00 . A A . 23 TYR CE2 1 1
3 1278 1 1 23 TYR CG C 2.895 2.838 2.266 1.00 . A A . 23 TYR CG 1 1
3 1279 1 1 23 TYR CZ C 5.516 1.995 1.902 1.00 . A A . 23 TYR CZ 1 1
3 1280 1 1 23 TYR H H 1.906 6.114 2.701 1.00 . A A . 23 TYR H 1 1
3 1281 1 1 23 TYR HA H 1.130 4.244 0.584 1.00 . A A . 23 TYR HA 1 1
3 1282 1 1 23 TYR HB2 H 1.347 3.530 3.515 1.00 . A A . 23 TYR HB2 1 1
3 1283 1 1 23 TYR HB3 H 0.819 2.463 2.219 1.00 . A A . 23 TYR HB3 1 1
3 1284 1 1 23 TYR HD1 H 3.661 3.933 3.925 1.00 . A A . 23 TYR HD1 1 1
3 1285 1 1 23 TYR HD2 H 2.451 1.636 0.561 1.00 . A A . 23 TYR HD2 1 1
3 1286 1 1 23 TYR HE1 H 5.986 3.214 3.588 1.00 . A A . 23 TYR HE1 1 1
3 1287 1 1 23 TYR HE2 H 4.772 0.908 0.213 1.00 . A A . 23 TYR HE2 1 1
3 1288 1 1 23 TYR HH H 7.231 1.431 2.542 1.00 . A A . 23 TYR HH 1 1
3 1289 1 1 23 TYR N N 1.992 5.603 1.870 1.00 . A A . 23 TYR N 1 1
3 1290 1 1 23 TYR O O -0.599 5.443 3.057 1.00 . A A . 23 TYR O 1 1
3 1291 1 1 23 TYR OH O 6.823 1.618 1.685 1.00 . A A . 23 TYR OH 1 1
3 1292 1 1 24 GLU C C -3.492 3.758 1.109 1.00 . A A . 24 GLU C 1 1
3 1293 1 1 24 GLU CA C -2.651 5.016 1.241 1.00 . A A . 24 GLU CA 1 1
3 1294 1 1 24 GLU CB C -3.105 6.037 0.203 1.00 . A A . 24 GLU CB 1 1
3 1295 1 1 24 GLU CD C -2.741 8.280 -0.853 1.00 . A A . 24 GLU CD 1 1
3 1296 1 1 24 GLU CG C -2.376 7.363 0.286 1.00 . A A . 24 GLU CG 1 1
3 1297 1 1 24 GLU H H -0.972 4.278 0.198 1.00 . A A . 24 GLU H 1 1
3 1298 1 1 24 GLU HA H -2.770 5.429 2.229 1.00 . A A . 24 GLU HA 1 1
3 1299 1 1 24 GLU HB2 H -2.940 5.624 -0.781 1.00 . A A . 24 GLU HB2 1 1
3 1300 1 1 24 GLU HB3 H -4.160 6.219 0.332 1.00 . A A . 24 GLU HB3 1 1
3 1301 1 1 24 GLU HG2 H -2.637 7.846 1.217 1.00 . A A . 24 GLU HG2 1 1
3 1302 1 1 24 GLU HG3 H -1.313 7.180 0.259 1.00 . A A . 24 GLU HG3 1 1
3 1303 1 1 24 GLU N N -1.250 4.689 1.046 1.00 . A A . 24 GLU N 1 1
3 1304 1 1 24 GLU O O -3.327 3.014 0.149 1.00 . A A . 24 GLU O 1 1
3 1305 1 1 24 GLU OE1 O -3.527 9.225 -0.633 1.00 . A A . 24 GLU OE1 1 1
3 1306 1 1 24 GLU OE2 O -2.233 8.077 -1.977 1.00 . A A . 24 GLU OE2 1 1
3 1307 1 1 25 MVA C C -6.606 2.403 2.613 1.00 . A A . 25 MVA C 1 1
3 1308 1 1 25 MVA CA C -5.216 2.267 1.976 1.00 . A A . 25 MVA CA 1 1
3 1309 1 1 25 MVA CB C -4.469 1.054 2.594 1.00 . A A . 25 MVA CB 1 1
3 1310 1 1 25 MVA CG1 C -4.029 1.317 4.027 1.00 . A A . 25 MVA CG1 1 1
3 1311 1 1 25 MVA CG2 C -5.338 -0.191 2.519 1.00 . A A . 25 MVA CG2 1 1
3 1312 1 1 25 MVA CN C -4.633 4.475 3.137 1.00 . A A . 25 MVA CN 1 1
3 1313 1 1 25 MVA HA H -5.378 2.026 0.935 1.00 . A A . 25 MVA HA 1 1
3 1314 1 1 25 MVA HB H -3.582 0.874 2.004 1.00 . A A . 25 MVA HB 1 1
3 1315 1 1 25 MVA HG11 H -3.331 2.141 4.042 1.00 . A A . 25 MVA HG11 1 1
3 1316 1 1 25 MVA HG12 H -3.555 0.434 4.427 1.00 . A A . 25 MVA HG12 1 1
3 1317 1 1 25 MVA HG13 H -4.891 1.566 4.627 1.00 . A A . 25 MVA HG13 1 1
3 1318 1 1 25 MVA HG21 H -4.808 -1.027 2.949 1.00 . A A . 25 MVA HG21 1 1
3 1319 1 1 25 MVA HG22 H -5.573 -0.404 1.487 1.00 . A A . 25 MVA HG22 1 1
3 1320 1 1 25 MVA HG23 H -6.252 -0.024 3.068 1.00 . A A . 25 MVA HG23 1 1
3 1321 1 1 25 MVA HN1 H -3.759 4.516 3.768 1.00 . A A . 25 MVA HN1 1 1
3 1322 1 1 25 MVA HN2 H -5.487 4.167 3.723 1.00 . A A . 25 MVA HN2 1 1
3 1323 1 1 25 MVA HN3 H -4.818 5.451 2.715 1.00 . A A . 25 MVA HN3 1 1
3 1324 1 1 25 MVA N N -4.412 3.500 2.047 1.00 . A A . 25 MVA N 1 1
3 1325 1 1 25 MVA O O -6.764 2.625 3.816 1.00 . A A . 25 MVA O 1 1
3 1326 1 1 26 HIS C C -9.669 0.970 2.028 1.00 . A A . 26 HIS C 1 1
3 1327 1 1 26 HIS CA C -9.000 2.327 2.198 1.00 . A A . 26 HIS CA 1 1
3 1328 1 1 26 HIS CB C -9.760 3.379 1.385 1.00 . A A . 26 HIS CB 1 1
3 1329 1 1 26 HIS CD2 C -8.406 5.430 0.541 1.00 . A A . 26 HIS CD2 1 1
3 1330 1 1 26 HIS CE1 C -8.685 6.737 2.272 1.00 . A A . 26 HIS CE1 1 1
3 1331 1 1 26 HIS CG C -9.161 4.756 1.441 1.00 . A A . 26 HIS CG 1 1
3 1332 1 1 26 HIS H H -7.420 2.048 0.830 1.00 . A A . 26 HIS H 1 1
3 1333 1 1 26 HIS HA H -9.017 2.602 3.242 1.00 . A A . 26 HIS HA 1 1
3 1334 1 1 26 HIS HB2 H -9.781 3.071 0.350 1.00 . A A . 26 HIS HB2 1 1
3 1335 1 1 26 HIS HB3 H -10.770 3.443 1.754 1.00 . A A . 26 HIS HB3 1 1
3 1336 1 1 26 HIS HD1 H -9.823 5.410 3.335 1.00 . A A . 26 HIS HD1 1 1
3 1337 1 1 26 HIS HD2 H -8.086 5.069 -0.424 1.00 . A A . 26 HIS HD2 1 1
3 1338 1 1 26 HIS HE1 H -8.636 7.586 2.937 1.00 . A A . 26 HIS HE1 1 1
3 1339 1 1 26 HIS HE2 H -7.786 7.428 0.576 1.00 . A A . 26 HIS HE2 1 1
3 1340 1 1 26 HIS N N -7.616 2.246 1.772 1.00 . A A . 26 HIS N 1 1
3 1341 1 1 26 HIS ND1 N -9.315 5.604 2.514 1.00 . A A . 26 HIS ND1 1 1
3 1342 1 1 26 HIS NE2 N -8.124 6.658 1.082 1.00 . A A . 26 HIS NE2 1 1
3 1343 1 1 26 HIS O O -9.785 0.461 0.911 1.00 . A A . 26 HIS O 1 1
3 1344 1 1 27 CYS C C -12.268 -0.673 3.261 1.00 . A A . 27 CYS C 1 1
3 1345 1 1 27 CYS CA C -10.770 -0.896 3.107 1.00 . A A . 27 CYS CA 1 1
3 1346 1 1 27 CYS CB C -10.264 -1.813 4.221 1.00 . A A . 27 CYS CB 1 1
3 1347 1 1 27 CYS H H -9.901 0.806 3.997 1.00 . A A . 27 CYS H 1 1
3 1348 1 1 27 CYS HA H -10.578 -1.361 2.152 1.00 . A A . 27 CYS HA 1 1
3 1349 1 1 27 CYS HB2 H -10.370 -1.307 5.167 1.00 . A A . 27 CYS HB2 1 1
3 1350 1 1 27 CYS HB3 H -10.862 -2.713 4.231 1.00 . A A . 27 CYS HB3 1 1
3 1351 1 1 27 CYS N N -10.073 0.376 3.134 1.00 . A A . 27 CYS N 1 1
3 1352 1 1 27 CYS O O -12.799 -0.668 4.370 1.00 . A A . 27 CYS O 1 1
3 1353 1 1 27 CYS SG S -8.518 -2.309 4.048 1.00 . A A . 27 CYS SG 1 1
3 1354 1 1 28 NH2 HN1 H -12.462 -0.491 1.297 1.00 . A A . 28 NH2 HN1 1 1
3 1355 1 1 28 NH2 HN2 H -13.913 -0.326 2.216 1.00 . A A . 28 NH2 HN2 1 1
3 1356 1 1 28 NH2 N N -12.949 -0.474 2.149 1.00 . A A . 28 NH2 N 1 1
4 1357 1 1 1 ASN C C 10.230 -3.246 -3.791 1.00 . A A . 1 ASN C 1 1
4 1358 1 1 1 ASN CA C 11.109 -2.009 -3.661 1.00 . A A . 1 ASN CA 1 1
4 1359 1 1 1 ASN CB C 10.299 -0.752 -4.002 1.00 . A A . 1 ASN CB 1 1
4 1360 1 1 1 ASN CG C 9.151 -0.488 -3.037 1.00 . A A . 1 ASN CG 1 1
4 1361 1 1 1 ASN H1 H 11.961 -2.222 -5.544 1.00 . A A . 1 ASN H1 1 1
4 1362 1 1 1 ASN H2 H 12.843 -2.955 -4.306 1.00 . A A . 1 ASN H2 1 1
4 1363 1 1 1 ASN H3 H 12.874 -1.277 -4.483 1.00 . A A . 1 ASN H3 1 1
4 1364 1 1 1 ASN HA H 11.466 -1.937 -2.644 1.00 . A A . 1 ASN HA 1 1
4 1365 1 1 1 ASN HB2 H 10.957 0.103 -3.988 1.00 . A A . 1 ASN HB2 1 1
4 1366 1 1 1 ASN HB3 H 9.889 -0.861 -4.995 1.00 . A A . 1 ASN HB3 1 1
4 1367 1 1 1 ASN HD21 H 9.355 1.468 -3.297 1.00 . A A . 1 ASN HD21 1 1
4 1368 1 1 1 ASN HD22 H 8.103 0.979 -2.208 1.00 . A A . 1 ASN HD22 1 1
4 1369 1 1 1 ASN N N 12.277 -2.122 -4.559 1.00 . A A . 1 ASN N 1 1
4 1370 1 1 1 ASN ND2 N 8.838 0.779 -2.828 1.00 . A A . 1 ASN ND2 1 1
4 1371 1 1 1 ASN O O 9.598 -3.461 -4.827 1.00 . A A . 1 ASN O 1 1
4 1372 1 1 1 ASN OD1 O 8.551 -1.406 -2.482 1.00 . A A . 1 ASN OD1 1 1
4 1373 1 1 2 ASP C C 8.181 -5.042 -1.772 1.00 . A A . 2 ASP C 1 1
4 1374 1 1 2 ASP CA C 9.347 -5.244 -2.729 1.00 . A A . 2 ASP CA 1 1
4 1375 1 1 2 ASP CB C 10.143 -6.494 -2.347 1.00 . A A . 2 ASP CB 1 1
4 1376 1 1 2 ASP CG C 11.161 -6.869 -3.405 1.00 . A A . 2 ASP CG 1 1
4 1377 1 1 2 ASP H H 10.766 -3.865 -1.968 1.00 . A A . 2 ASP H 1 1
4 1378 1 1 2 ASP HA H 8.954 -5.372 -3.724 1.00 . A A . 2 ASP HA 1 1
4 1379 1 1 2 ASP HB2 H 10.665 -6.315 -1.418 1.00 . A A . 2 ASP HB2 1 1
4 1380 1 1 2 ASP HB3 H 9.462 -7.322 -2.220 1.00 . A A . 2 ASP HB3 1 1
4 1381 1 1 2 ASP N N 10.200 -4.062 -2.747 1.00 . A A . 2 ASP N 1 1
4 1382 1 1 2 ASP O O 7.138 -5.693 -1.891 1.00 . A A . 2 ASP O 1 1
4 1383 1 1 2 ASP OD1 O 10.753 -7.341 -4.488 1.00 . A A . 2 ASP OD1 1 1
4 1384 1 1 2 ASP OD2 O 12.375 -6.693 -3.159 1.00 . A A . 2 ASP OD2 1 1
4 1385 1 1 3 B3K C C 5.627 -2.127 -0.625 1.00 . A A . 3 B3K C 1 1
4 1386 1 1 3 B3K CA C 6.939 -2.358 0.070 1.00 . A A . 3 B3K CA 1 1
4 1387 1 1 3 B3K CB C 7.319 -3.836 0.130 1.00 . A A . 3 B3K CB 1 1
4 1388 1 1 3 B3K CD C 8.242 -5.560 1.778 1.00 . A A . 3 B3K CD 1 1
4 1389 1 1 3 B3K CE C 8.725 -5.777 3.201 1.00 . A A . 3 B3K CE 1 1
4 1390 1 1 3 B3K CF C 9.175 -7.210 3.427 1.00 . A A . 3 B3K CF 1 1
4 1391 1 1 3 B3K CG C 7.810 -4.121 1.555 1.00 . A A . 3 B3K CG 1 1
4 1392 1 1 3 B3K H H 9.215 -3.664 -0.766 1.00 . A A . 3 B3K H 1 1
4 1393 1 1 3 B3K HA1 H 6.863 -1.975 1.077 1.00 . A A . 3 B3K HA1 1 1
4 1394 1 1 3 B3K HA2 H 7.705 -1.813 -0.463 1.00 . A A . 3 B3K HA2 1 1
4 1395 1 1 3 B3K HB H 6.451 -4.458 -0.147 1.00 . A A . 3 B3K HB 1 1
4 1396 1 1 3 B3K HD2 H 9.045 -5.795 1.095 1.00 . A A . 3 B3K HD2 1 1
4 1397 1 1 3 B3K HD3 H 7.402 -6.211 1.590 1.00 . A A . 3 B3K HD3 1 1
4 1398 1 1 3 B3K HE2 H 7.919 -5.549 3.883 1.00 . A A . 3 B3K HE2 1 1
4 1399 1 1 3 B3K HE3 H 9.557 -5.115 3.391 1.00 . A A . 3 B3K HE3 1 1
4 1400 1 1 3 B3K HF1 H 8.346 -7.870 3.216 1.00 . A A . 3 B3K HF1 1 1
4 1401 1 1 3 B3K HF2 H 9.470 -7.324 4.458 1.00 . A A . 3 B3K HF2 1 1
4 1402 1 1 3 B3K HG2 H 7.014 -3.896 2.250 1.00 . A A . 3 B3K HG2 1 1
4 1403 1 1 3 B3K HG3 H 8.652 -3.479 1.768 1.00 . A A . 3 B3K HG3 1 1
4 1404 1 1 3 B3K HNZ1 H 11.123 -6.945 2.728 1.00 . A A . 3 B3K HNZ1 1 1
4 1405 1 1 3 B3K HNZ2 H 10.047 -7.517 1.555 1.00 . A A . 3 B3K HNZ2 1 1
4 1406 1 1 3 B3K N N 8.360 -4.138 -0.821 1.00 . A A . 3 B3K N 1 1
4 1407 1 1 3 B3K NZ N 10.320 -7.582 2.555 1.00 . A A . 3 B3K NZ 1 1
4 1408 1 1 3 B3K O O 4.556 -2.384 -0.076 1.00 . A A . 3 B3K O 1 1
4 1409 1 1 4 CYS C C 3.917 -2.748 -3.087 1.00 . A A . 4 CYS C 1 1
4 1410 1 1 4 CYS CA C 4.538 -1.425 -2.673 1.00 . A A . 4 CYS CA 1 1
4 1411 1 1 4 CYS CB C 4.884 -0.586 -3.903 1.00 . A A . 4 CYS CB 1 1
4 1412 1 1 4 CYS H H 6.601 -1.440 -2.229 1.00 . A A . 4 CYS H 1 1
4 1413 1 1 4 CYS HA H 3.823 -0.884 -2.072 1.00 . A A . 4 CYS HA 1 1
4 1414 1 1 4 CYS HB2 H 5.632 -1.102 -4.486 1.00 . A A . 4 CYS HB2 1 1
4 1415 1 1 4 CYS HB3 H 3.994 -0.455 -4.501 1.00 . A A . 4 CYS HB3 1 1
4 1416 1 1 4 CYS N N 5.715 -1.650 -1.859 1.00 . A A . 4 CYS N 1 1
4 1417 1 1 4 CYS O O 2.717 -2.942 -2.910 1.00 . A A . 4 CYS O 1 1
4 1418 1 1 4 CYS SG S 5.535 1.068 -3.508 1.00 . A A . 4 CYS SG 1 1
4 1419 1 1 5 LYS C C 3.458 -5.629 -2.925 1.00 . A A . 5 LYS C 1 1
4 1420 1 1 5 LYS CA C 4.272 -4.981 -4.033 1.00 . A A . 5 LYS CA 1 1
4 1421 1 1 5 LYS CB C 5.439 -5.897 -4.398 1.00 . A A . 5 LYS CB 1 1
4 1422 1 1 5 LYS CD C 7.473 -6.344 -5.779 1.00 . A A . 5 LYS CD 1 1
4 1423 1 1 5 LYS CE C 8.490 -5.771 -6.748 1.00 . A A . 5 LYS CE 1 1
4 1424 1 1 5 LYS CG C 6.354 -5.359 -5.482 1.00 . A A . 5 LYS CG 1 1
4 1425 1 1 5 LYS H H 5.696 -3.450 -3.697 1.00 . A A . 5 LYS H 1 1
4 1426 1 1 5 LYS HA H 3.643 -4.845 -4.896 1.00 . A A . 5 LYS HA 1 1
4 1427 1 1 5 LYS HB2 H 6.035 -6.064 -3.513 1.00 . A A . 5 LYS HB2 1 1
4 1428 1 1 5 LYS HB3 H 5.043 -6.843 -4.731 1.00 . A A . 5 LYS HB3 1 1
4 1429 1 1 5 LYS HD2 H 7.971 -6.596 -4.857 1.00 . A A . 5 LYS HD2 1 1
4 1430 1 1 5 LYS HD3 H 7.044 -7.238 -6.211 1.00 . A A . 5 LYS HD3 1 1
4 1431 1 1 5 LYS HE2 H 8.006 -5.600 -7.697 1.00 . A A . 5 LYS HE2 1 1
4 1432 1 1 5 LYS HE3 H 8.855 -4.832 -6.355 1.00 . A A . 5 LYS HE3 1 1
4 1433 1 1 5 LYS HG2 H 5.777 -5.195 -6.382 1.00 . A A . 5 LYS HG2 1 1
4 1434 1 1 5 LYS HG3 H 6.784 -4.425 -5.150 1.00 . A A . 5 LYS HG3 1 1
4 1435 1 1 5 LYS HZ1 H 9.309 -7.580 -7.382 1.00 . A A . 5 LYS HZ1 1 1
4 1436 1 1 5 LYS HZ2 H 10.085 -6.915 -6.034 1.00 . A A . 5 LYS HZ2 1 1
4 1437 1 1 5 LYS HZ3 H 10.342 -6.255 -7.573 1.00 . A A . 5 LYS HZ3 1 1
4 1438 1 1 5 LYS N N 4.746 -3.665 -3.605 1.00 . A A . 5 LYS N 1 1
4 1439 1 1 5 LYS NZ N 9.635 -6.692 -6.950 1.00 . A A . 5 LYS NZ 1 1
4 1440 1 1 5 LYS O O 2.235 -5.760 -3.029 1.00 . A A . 5 LYS O 1 1
4 1441 1 1 6 B3E C C 2.282 -5.121 0.907 1.00 . A A . 6 B3E C 1 1
4 1442 1 1 6 B3E CA C 3.591 -5.752 0.506 1.00 . A A . 6 B3E CA 1 1
4 1443 1 1 6 B3E CB C 3.453 -6.620 -0.738 1.00 . A A . 6 B3E CB 1 1
4 1444 1 1 6 B3E CD C 3.785 -9.030 -1.512 1.00 . A A . 6 B3E CD 1 1
4 1445 1 1 6 B3E CE C 4.337 -10.393 -1.157 1.00 . A A . 6 B3E CE 1 1
4 1446 1 1 6 B3E CG C 4.037 -8.000 -0.423 1.00 . A A . 6 B3E CG 1 1
4 1447 1 1 6 B3E H H 5.115 -5.906 -1.827 1.00 . A A . 6 B3E H 1 1
4 1448 1 1 6 B3E HA1 H 3.942 -6.362 1.323 1.00 . A A . 6 B3E HA1 1 1
4 1449 1 1 6 B3E HA2 H 4.306 -4.964 0.315 1.00 . A A . 6 B3E HA2 1 1
4 1450 1 1 6 B3E HB H 2.394 -6.680 -1.019 1.00 . A A . 6 B3E HB 1 1
4 1451 1 1 6 B3E HD2 H 4.253 -8.692 -2.425 1.00 . A A . 6 B3E HD2 1 1
4 1452 1 1 6 B3E HD3 H 2.721 -9.118 -1.666 1.00 . A A . 6 B3E HD3 1 1
4 1453 1 1 6 B3E HG2 H 3.596 -8.362 0.492 1.00 . A A . 6 B3E HG2 1 1
4 1454 1 1 6 B3E HG3 H 5.103 -7.907 -0.286 1.00 . A A . 6 B3E HG3 1 1
4 1455 1 1 6 B3E N N 4.135 -6.025 -1.856 1.00 . A A . 6 B3E N 1 1
4 1456 1 1 6 B3E O O 1.358 -5.797 1.373 1.00 . A A . 6 B3E O 1 1
4 1457 1 1 6 B3E OF1 O 5.399 -10.763 -1.693 1.00 . A A . 6 B3E OF1 1 1
4 1458 1 1 6 B3E OF2 O 3.713 -11.101 -0.336 1.00 . A A . 6 B3E OF2 1 1
4 1459 1 1 7 LEU C C -0.076 -3.207 -0.022 1.00 . A A . 7 LEU C 1 1
4 1460 1 1 7 LEU CA C 1.006 -3.057 1.045 1.00 . A A . 7 LEU CA 1 1
4 1461 1 1 7 LEU CB C 1.342 -1.573 1.250 1.00 . A A . 7 LEU CB 1 1
4 1462 1 1 7 LEU CD1 C 0.987 -1.469 3.741 1.00 . A A . 7 LEU CD1 1 1
4 1463 1 1 7 LEU CD2 C 3.274 -1.923 2.851 1.00 . A A . 7 LEU CD2 1 1
4 1464 1 1 7 LEU CG C 1.960 -1.194 2.607 1.00 . A A . 7 LEU CG 1 1
4 1465 1 1 7 LEU H H 2.967 -3.339 0.316 1.00 . A A . 7 LEU H 1 1
4 1466 1 1 7 LEU HA H 0.627 -3.457 1.973 1.00 . A A . 7 LEU HA 1 1
4 1467 1 1 7 LEU HB2 H 2.032 -1.278 0.474 1.00 . A A . 7 LEU HB2 1 1
4 1468 1 1 7 LEU HB3 H 0.433 -1.005 1.126 1.00 . A A . 7 LEU HB3 1 1
4 1469 1 1 7 LEU HD11 H 0.069 -0.930 3.564 1.00 . A A . 7 LEU HD11 1 1
4 1470 1 1 7 LEU HD12 H 1.422 -1.141 4.674 1.00 . A A . 7 LEU HD12 1 1
4 1471 1 1 7 LEU HD13 H 0.781 -2.528 3.792 1.00 . A A . 7 LEU HD13 1 1
4 1472 1 1 7 LEU HD21 H 3.673 -1.633 3.812 1.00 . A A . 7 LEU HD21 1 1
4 1473 1 1 7 LEU HD22 H 3.979 -1.664 2.075 1.00 . A A . 7 LEU HD22 1 1
4 1474 1 1 7 LEU HD23 H 3.100 -2.989 2.839 1.00 . A A . 7 LEU HD23 1 1
4 1475 1 1 7 LEU HG H 2.168 -0.133 2.606 1.00 . A A . 7 LEU HG 1 1
4 1476 1 1 7 LEU N N 2.197 -3.814 0.703 1.00 . A A . 7 LEU N 1 1
4 1477 1 1 7 LEU O O -1.231 -3.467 0.310 1.00 . A A . 7 LEU O 1 1
4 1478 1 1 8 LYS C C -1.376 -4.464 -2.412 1.00 . A A . 8 LYS C 1 1
4 1479 1 1 8 LYS CA C -0.695 -3.101 -2.373 1.00 . A A . 8 LYS CA 1 1
4 1480 1 1 8 LYS CB C -0.063 -2.772 -3.729 1.00 . A A . 8 LYS CB 1 1
4 1481 1 1 8 LYS CD C -0.418 -2.153 -6.138 1.00 . A A . 8 LYS CD 1 1
4 1482 1 1 8 LYS CE C -1.445 -1.897 -7.233 1.00 . A A . 8 LYS CE 1 1
4 1483 1 1 8 LYS CG C -1.081 -2.571 -4.837 1.00 . A A . 8 LYS CG 1 1
4 1484 1 1 8 LYS H H 1.241 -2.935 -1.524 1.00 . A A . 8 LYS H 1 1
4 1485 1 1 8 LYS HA H -1.441 -2.356 -2.148 1.00 . A A . 8 LYS HA 1 1
4 1486 1 1 8 LYS HB2 H 0.518 -1.867 -3.633 1.00 . A A . 8 LYS HB2 1 1
4 1487 1 1 8 LYS HB3 H 0.593 -3.582 -4.015 1.00 . A A . 8 LYS HB3 1 1
4 1488 1 1 8 LYS HD2 H 0.145 -1.248 -5.969 1.00 . A A . 8 LYS HD2 1 1
4 1489 1 1 8 LYS HD3 H 0.249 -2.939 -6.460 1.00 . A A . 8 LYS HD3 1 1
4 1490 1 1 8 LYS HE2 H -2.131 -1.137 -6.891 1.00 . A A . 8 LYS HE2 1 1
4 1491 1 1 8 LYS HE3 H -0.930 -1.544 -8.115 1.00 . A A . 8 LYS HE3 1 1
4 1492 1 1 8 LYS HG2 H -1.609 -3.497 -4.996 1.00 . A A . 8 LYS HG2 1 1
4 1493 1 1 8 LYS HG3 H -1.778 -1.803 -4.535 1.00 . A A . 8 LYS HG3 1 1
4 1494 1 1 8 LYS HZ1 H -1.572 -3.872 -7.901 1.00 . A A . 8 LYS HZ1 1 1
4 1495 1 1 8 LYS HZ2 H -2.892 -2.915 -8.341 1.00 . A A . 8 LYS HZ2 1 1
4 1496 1 1 8 LYS HZ3 H -2.742 -3.464 -6.751 1.00 . A A . 8 LYS HZ3 1 1
4 1497 1 1 8 LYS N N 0.293 -3.061 -1.299 1.00 . A A . 8 LYS N 1 1
4 1498 1 1 8 LYS NZ N -2.215 -3.121 -7.580 1.00 . A A . 8 LYS NZ 1 1
4 1499 1 1 8 LYS O O -2.600 -4.554 -2.482 1.00 . A A . 8 LYS O 1 1
4 1500 1 1 9 B3K C C -1.097 -8.265 -0.278 1.00 . A A . 9 B3K C 1 1
4 1501 1 1 9 B3K CA C -0.317 -7.799 -1.483 1.00 . A A . 9 B3K CA 1 1
4 1502 1 1 9 B3K CB C -1.142 -6.859 -2.358 1.00 . A A . 9 B3K CB 1 1
4 1503 1 1 9 B3K CD C 0.101 -7.437 -4.535 1.00 . A A . 9 B3K CD 1 1
4 1504 1 1 9 B3K CE C -0.067 -7.994 -5.939 1.00 . A A . 9 B3K CE 1 1
4 1505 1 1 9 B3K CF C 1.245 -7.990 -6.704 1.00 . A A . 9 B3K CF 1 1
4 1506 1 1 9 B3K CG C -1.219 -7.438 -3.779 1.00 . A A . 9 B3K CG 1 1
4 1507 1 1 9 B3K H H 0.393 -5.402 -2.363 1.00 . A A . 9 B3K H 1 1
4 1508 1 1 9 B3K HA1 H -0.030 -8.661 -2.065 1.00 . A A . 9 B3K HA1 1 1
4 1509 1 1 9 B3K HA2 H 0.566 -7.286 -1.139 1.00 . A A . 9 B3K HA2 1 1
4 1510 1 1 9 B3K HB H -2.145 -6.762 -1.919 1.00 . A A . 9 B3K HB 1 1
4 1511 1 1 9 B3K HD2 H 0.813 -8.044 -3.998 1.00 . A A . 9 B3K HD2 1 1
4 1512 1 1 9 B3K HD3 H 0.467 -6.423 -4.604 1.00 . A A . 9 B3K HD3 1 1
4 1513 1 1 9 B3K HE2 H -0.786 -7.389 -6.472 1.00 . A A . 9 B3K HE2 1 1
4 1514 1 1 9 B3K HE3 H -0.427 -9.008 -5.871 1.00 . A A . 9 B3K HE3 1 1
4 1515 1 1 9 B3K HF1 H 1.092 -8.474 -7.657 1.00 . A A . 9 B3K HF1 1 1
4 1516 1 1 9 B3K HF2 H 1.978 -8.543 -6.136 1.00 . A A . 9 B3K HF2 1 1
4 1517 1 1 9 B3K HG2 H -1.932 -6.859 -4.348 1.00 . A A . 9 B3K HG2 1 1
4 1518 1 1 9 B3K HG3 H -1.569 -8.456 -3.719 1.00 . A A . 9 B3K HG3 1 1
4 1519 1 1 9 B3K HNZ1 H 2.672 -6.652 -7.438 1.00 . A A . 9 B3K HNZ1 1 1
4 1520 1 1 9 B3K HNZ2 H 1.894 -6.118 -6.037 1.00 . A A . 9 B3K HNZ2 1 1
4 1521 1 1 9 B3K N N -0.585 -5.525 -2.375 1.00 . A A . 9 B3K N 1 1
4 1522 1 1 9 B3K NZ N 1.758 -6.612 -6.939 1.00 . A A . 9 B3K NZ 1 1
4 1523 1 1 9 B3K O O -1.819 -9.265 -0.329 1.00 . A A . 9 B3K O 1 1
4 1524 1 1 10 ARG C C -3.124 -7.230 1.886 1.00 . A A . 10 ARG C 1 1
4 1525 1 1 10 ARG CA C -1.710 -7.782 2.026 1.00 . A A . 10 ARG CA 1 1
4 1526 1 1 10 ARG CB C -1.013 -7.147 3.232 1.00 . A A . 10 ARG CB 1 1
4 1527 1 1 10 ARG CD C -2.068 -8.690 4.924 1.00 . A A . 10 ARG CD 1 1
4 1528 1 1 10 ARG CG C -1.805 -7.245 4.526 1.00 . A A . 10 ARG CG 1 1
4 1529 1 1 10 ARG CZ C -3.580 -9.822 6.515 1.00 . A A . 10 ARG CZ 1 1
4 1530 1 1 10 ARG H H -0.282 -6.801 0.819 1.00 . A A . 10 ARG H 1 1
4 1531 1 1 10 ARG HA H -1.766 -8.848 2.170 1.00 . A A . 10 ARG HA 1 1
4 1532 1 1 10 ARG HB2 H -0.063 -7.634 3.381 1.00 . A A . 10 ARG HB2 1 1
4 1533 1 1 10 ARG HB3 H -0.841 -6.102 3.024 1.00 . A A . 10 ARG HB3 1 1
4 1534 1 1 10 ARG HD2 H -2.634 -9.169 4.139 1.00 . A A . 10 ARG HD2 1 1
4 1535 1 1 10 ARG HD3 H -1.121 -9.196 5.044 1.00 . A A . 10 ARG HD3 1 1
4 1536 1 1 10 ARG HE H -2.749 -8.024 6.802 1.00 . A A . 10 ARG HE 1 1
4 1537 1 1 10 ARG HG2 H -1.248 -6.762 5.313 1.00 . A A . 10 ARG HG2 1 1
4 1538 1 1 10 ARG HG3 H -2.751 -6.742 4.389 1.00 . A A . 10 ARG HG3 1 1
4 1539 1 1 10 ARG HH11 H -4.268 -11.645 5.955 1.00 . A A . 10 ARG HH11 1 1
4 1540 1 1 10 ARG HH12 H -3.202 -10.876 4.823 1.00 . A A . 10 ARG HH12 1 1
4 1541 1 1 10 ARG HH21 H -4.804 -10.597 7.934 1.00 . A A . 10 ARG HH21 1 1
4 1542 1 1 10 ARG HH22 H -4.153 -9.029 8.292 1.00 . A A . 10 ARG HH22 1 1
4 1543 1 1 10 ARG N N -0.945 -7.529 0.818 1.00 . A A . 10 ARG N 1 1
4 1544 1 1 10 ARG NE N -2.819 -8.783 6.177 1.00 . A A . 10 ARG NE 1 1
4 1545 1 1 10 ARG NH1 N -3.693 -10.863 5.698 1.00 . A A . 10 ARG NH1 1 1
4 1546 1 1 10 ARG NH2 N -4.230 -9.817 7.673 1.00 . A A . 10 ARG NH2 1 1
4 1547 1 1 10 ARG O O -4.100 -7.901 2.216 1.00 . A A . 10 ARG O 1 1
4 1548 1 1 11 TYR C C -5.187 -5.608 -0.068 1.00 . A A . 11 TYR C 1 1
4 1549 1 1 11 TYR CA C -4.503 -5.327 1.266 1.00 . A A . 11 TYR CA 1 1
4 1550 1 1 11 TYR CB C -4.293 -3.827 1.446 1.00 . A A . 11 TYR CB 1 1
4 1551 1 1 11 TYR CD1 C -4.818 -3.507 3.888 1.00 . A A . 11 TYR CD1 1 1
4 1552 1 1 11 TYR CD2 C -2.618 -2.986 3.136 1.00 . A A . 11 TYR CD2 1 1
4 1553 1 1 11 TYR CE1 C -4.472 -3.140 5.172 1.00 . A A . 11 TYR CE1 1 1
4 1554 1 1 11 TYR CE2 C -2.263 -2.619 4.419 1.00 . A A . 11 TYR CE2 1 1
4 1555 1 1 11 TYR CG C -3.899 -3.436 2.850 1.00 . A A . 11 TYR CG 1 1
4 1556 1 1 11 TYR CZ C -3.194 -2.697 5.433 1.00 . A A . 11 TYR CZ 1 1
4 1557 1 1 11 TYR H H -2.420 -5.575 1.025 1.00 . A A . 11 TYR H 1 1
4 1558 1 1 11 TYR HA H -5.134 -5.689 2.063 1.00 . A A . 11 TYR HA 1 1
4 1559 1 1 11 TYR HB2 H -3.510 -3.499 0.780 1.00 . A A . 11 TYR HB2 1 1
4 1560 1 1 11 TYR HB3 H -5.206 -3.312 1.200 1.00 . A A . 11 TYR HB3 1 1
4 1561 1 1 11 TYR HD1 H -5.819 -3.856 3.680 1.00 . A A . 11 TYR HD1 1 1
4 1562 1 1 11 TYR HD2 H -1.891 -2.926 2.338 1.00 . A A . 11 TYR HD2 1 1
4 1563 1 1 11 TYR HE1 H -5.200 -3.203 5.965 1.00 . A A . 11 TYR HE1 1 1
4 1564 1 1 11 TYR HE2 H -1.261 -2.272 4.623 1.00 . A A . 11 TYR HE2 1 1
4 1565 1 1 11 TYR HH H -2.496 -1.430 6.707 1.00 . A A . 11 TYR HH 1 1
4 1566 1 1 11 TYR N N -3.225 -6.018 1.364 1.00 . A A . 11 TYR N 1 1
4 1567 1 1 11 TYR O O -5.797 -4.719 -0.666 1.00 . A A . 11 TYR O 1 1
4 1568 1 1 11 TYR OH O -2.846 -2.330 6.714 1.00 . A A . 11 TYR OH 1 1
4 1569 1 1 12 ABA C C -7.176 -6.920 -1.857 1.00 . A A . 12 AIB C 1 1
4 1570 1 1 12 ABA CA C -5.695 -7.316 -1.771 1.00 . A A . 12 AIB CA 1 1
4 1571 1 1 12 ABA H H -4.638 -7.519 0.060 1.00 . A A . 12 AIB H 1 1
4 1572 1 1 12 ABA N N -5.109 -6.865 -0.500 1.00 . A A . 12 AIB N 1 1
4 1573 1 1 12 ABA O O -7.671 -6.557 -2.927 1.00 . A A . 12 AIB O 1 1
4 1574 1 1 13 GLY C C -9.637 -5.267 -0.385 1.00 . A A . 13 GLY C 1 1
4 1575 1 1 13 GLY CA C -9.297 -6.709 -0.716 1.00 . A A . 13 GLY CA 1 1
4 1576 1 1 13 GLY H H -7.411 -7.200 0.111 1.00 . A A . 13 GLY H 1 1
4 1577 1 1 13 GLY HA2 H -9.698 -6.943 -1.690 1.00 . A A . 13 GLY HA2 1 1
4 1578 1 1 13 GLY HA3 H -9.764 -7.352 0.013 1.00 . A A . 13 GLY HA3 1 1
4 1579 1 1 13 GLY N N -7.872 -6.976 -0.726 1.00 . A A . 13 GLY N 1 1
4 1580 1 1 13 GLY O O -10.798 -4.944 -0.129 1.00 . A A . 13 GLY O 1 1
4 1581 1 1 14 CYS C C -8.370 -2.142 -1.278 1.00 . A A . 14 CYS C 1 1
4 1582 1 1 14 CYS CA C -8.852 -2.986 -0.109 1.00 . A A . 14 CYS CA 1 1
4 1583 1 1 14 CYS CB C -8.095 -2.576 1.154 1.00 . A A . 14 CYS CB 1 1
4 1584 1 1 14 CYS H H -7.728 -4.714 -0.590 1.00 . A A . 14 CYS H 1 1
4 1585 1 1 14 CYS HA H -9.909 -2.823 0.035 1.00 . A A . 14 CYS HA 1 1
4 1586 1 1 14 CYS HB2 H -7.041 -2.717 0.988 1.00 . A A . 14 CYS HB2 1 1
4 1587 1 1 14 CYS HB3 H -8.284 -1.532 1.353 1.00 . A A . 14 CYS HB3 1 1
4 1588 1 1 14 CYS N N -8.638 -4.400 -0.388 1.00 . A A . 14 CYS N 1 1
4 1589 1 1 14 CYS O O -7.687 -2.643 -2.170 1.00 . A A . 14 CYS O 1 1
4 1590 1 1 14 CYS SG S -8.551 -3.514 2.648 1.00 . A A . 14 CYS SG 1 1
4 1591 1 1 15 GLU C C -6.903 0.622 -1.792 1.00 . A A . 15 GLU C 1 1
4 1592 1 1 15 GLU CA C -8.229 0.059 -2.278 1.00 . A A . 15 GLU CA 1 1
4 1593 1 1 15 GLU CB C -9.227 1.189 -2.523 1.00 . A A . 15 GLU CB 1 1
4 1594 1 1 15 GLU CD C -10.525 -0.195 -4.187 1.00 . A A . 15 GLU CD 1 1
4 1595 1 1 15 GLU CG C -10.592 0.699 -2.967 1.00 . A A . 15 GLU CG 1 1
4 1596 1 1 15 GLU H H -9.351 -0.539 -0.586 1.00 . A A . 15 GLU H 1 1
4 1597 1 1 15 GLU HA H -8.072 -0.487 -3.196 1.00 . A A . 15 GLU HA 1 1
4 1598 1 1 15 GLU HB2 H -9.348 1.754 -1.608 1.00 . A A . 15 GLU HB2 1 1
4 1599 1 1 15 GLU HB3 H -8.835 1.841 -3.289 1.00 . A A . 15 GLU HB3 1 1
4 1600 1 1 15 GLU HG2 H -11.038 0.144 -2.158 1.00 . A A . 15 GLU HG2 1 1
4 1601 1 1 15 GLU HG3 H -11.208 1.554 -3.196 1.00 . A A . 15 GLU HG3 1 1
4 1602 1 1 15 GLU N N -8.735 -0.868 -1.280 1.00 . A A . 15 GLU N 1 1
4 1603 1 1 15 GLU O O -6.867 1.343 -0.803 1.00 . A A . 15 GLU O 1 1
4 1604 1 1 15 GLU OE1 O -10.448 0.332 -5.316 1.00 . A A . 15 GLU OE1 1 1
4 1605 1 1 15 GLU OE2 O -10.560 -1.434 -4.024 1.00 . A A . 15 GLU OE2 1 1
4 1606 1 1 16 MVA C C -3.454 1.131 -2.950 1.00 . A A . 16 MVA C 1 1
4 1607 1 1 16 MVA CA C -4.469 0.655 -1.906 1.00 . A A . 16 MVA CA 1 1
4 1608 1 1 16 MVA CB C -3.866 -0.527 -1.089 1.00 . A A . 16 MVA CB 1 1
4 1609 1 1 16 MVA CG1 C -3.855 -1.817 -1.885 1.00 . A A . 16 MVA CG1 1 1
4 1610 1 1 16 MVA CG2 C -2.459 -0.196 -0.604 1.00 . A A . 16 MVA CG2 1 1
4 1611 1 1 16 MVA CN C -5.917 -0.338 -3.793 1.00 . A A . 16 MVA CN 1 1
4 1612 1 1 16 MVA HA H -4.597 1.470 -1.207 1.00 . A A . 16 MVA HA 1 1
4 1613 1 1 16 MVA HB H -4.487 -0.681 -0.219 1.00 . A A . 16 MVA HB 1 1
4 1614 1 1 16 MVA HG11 H -3.318 -1.663 -2.810 1.00 . A A . 16 MVA HG11 1 1
4 1615 1 1 16 MVA HG12 H -4.870 -2.114 -2.104 1.00 . A A . 16 MVA HG12 1 1
4 1616 1 1 16 MVA HG13 H -3.370 -2.589 -1.311 1.00 . A A . 16 MVA HG13 1 1
4 1617 1 1 16 MVA HG21 H -2.077 -1.019 -0.017 1.00 . A A . 16 MVA HG21 1 1
4 1618 1 1 16 MVA HG22 H -2.484 0.699 0.002 1.00 . A A . 16 MVA HG22 1 1
4 1619 1 1 16 MVA HG23 H -1.814 -0.034 -1.456 1.00 . A A . 16 MVA HG23 1 1
4 1620 1 1 16 MVA HN1 H -4.943 -0.401 -4.253 1.00 . A A . 16 MVA HN1 1 1
4 1621 1 1 16 MVA HN2 H -6.575 0.245 -4.420 1.00 . A A . 16 MVA HN2 1 1
4 1622 1 1 16 MVA HN3 H -6.320 -1.333 -3.674 1.00 . A A . 16 MVA HN3 1 1
4 1623 1 1 16 MVA N N -5.794 0.309 -2.467 1.00 . A A . 16 MVA N 1 1
4 1624 1 1 16 MVA O O -3.158 0.457 -3.943 1.00 . A A . 16 MVA O 1 1
4 1625 1 1 17 ARG C C -0.598 3.041 -2.793 1.00 . A A . 17 ARG C 1 1
4 1626 1 1 17 ARG CA C -1.910 2.908 -3.549 1.00 . A A . 17 ARG CA 1 1
4 1627 1 1 17 ARG CB C -2.365 4.286 -4.017 1.00 . A A . 17 ARG CB 1 1
4 1628 1 1 17 ARG CD C -4.053 5.687 -5.223 1.00 . A A . 17 ARG CD 1 1
4 1629 1 1 17 ARG CG C -3.647 4.275 -4.831 1.00 . A A . 17 ARG CG 1 1
4 1630 1 1 17 ARG CZ C -2.269 7.376 -5.501 1.00 . A A . 17 ARG CZ 1 1
4 1631 1 1 17 ARG H H -3.193 2.792 -1.880 1.00 . A A . 17 ARG H 1 1
4 1632 1 1 17 ARG HA H -1.764 2.266 -4.404 1.00 . A A . 17 ARG HA 1 1
4 1633 1 1 17 ARG HB2 H -2.519 4.910 -3.151 1.00 . A A . 17 ARG HB2 1 1
4 1634 1 1 17 ARG HB3 H -1.584 4.720 -4.624 1.00 . A A . 17 ARG HB3 1 1
4 1635 1 1 17 ARG HD2 H -4.945 5.638 -5.831 1.00 . A A . 17 ARG HD2 1 1
4 1636 1 1 17 ARG HD3 H -4.263 6.251 -4.325 1.00 . A A . 17 ARG HD3 1 1
4 1637 1 1 17 ARG HE H -2.827 6.049 -6.895 1.00 . A A . 17 ARG HE 1 1
4 1638 1 1 17 ARG HG2 H -3.492 3.692 -5.725 1.00 . A A . 17 ARG HG2 1 1
4 1639 1 1 17 ARG HG3 H -4.435 3.832 -4.239 1.00 . A A . 17 ARG HG3 1 1
4 1640 1 1 17 ARG HH11 H -3.170 7.421 -3.686 1.00 . A A . 17 ARG HH11 1 1
4 1641 1 1 17 ARG HH12 H -1.913 8.591 -3.915 1.00 . A A . 17 ARG HH12 1 1
4 1642 1 1 17 ARG HH21 H -0.775 8.682 -5.904 1.00 . A A . 17 ARG HH21 1 1
4 1643 1 1 17 ARG HH22 H -1.165 7.578 -7.184 1.00 . A A . 17 ARG HH22 1 1
4 1644 1 1 17 ARG N N -2.915 2.310 -2.695 1.00 . A A . 17 ARG N 1 1
4 1645 1 1 17 ARG NE N -3.000 6.367 -5.977 1.00 . A A . 17 ARG NE 1 1
4 1646 1 1 17 ARG NH1 N -2.468 7.831 -4.269 1.00 . A A . 17 ARG NH1 1 1
4 1647 1 1 17 ARG NH2 N -1.330 7.923 -6.257 1.00 . A A . 17 ARG NH2 1 1
4 1648 1 1 17 ARG O O -0.588 3.304 -1.591 1.00 . A A . 17 ARG O 1 1
4 1649 1 1 18 CYS C C 2.569 4.147 -3.572 1.00 . A A . 18 CYS C 1 1
4 1650 1 1 18 CYS CA C 1.811 3.020 -2.888 1.00 . A A . 18 CYS CA 1 1
4 1651 1 1 18 CYS CB C 2.608 1.722 -2.979 1.00 . A A . 18 CYS CB 1 1
4 1652 1 1 18 CYS H H 0.436 2.628 -4.444 1.00 . A A . 18 CYS H 1 1
4 1653 1 1 18 CYS HA H 1.665 3.271 -1.848 1.00 . A A . 18 CYS HA 1 1
4 1654 1 1 18 CYS HB2 H 2.032 0.925 -2.532 1.00 . A A . 18 CYS HB2 1 1
4 1655 1 1 18 CYS HB3 H 2.788 1.491 -4.018 1.00 . A A . 18 CYS HB3 1 1
4 1656 1 1 18 CYS N N 0.503 2.863 -3.494 1.00 . A A . 18 CYS N 1 1
4 1657 1 1 18 CYS O O 2.676 4.180 -4.798 1.00 . A A . 18 CYS O 1 1
4 1658 1 1 18 CYS SG S 4.225 1.786 -2.135 1.00 . A A . 18 CYS SG 1 1
4 1659 1 1 19 ASP C C 5.161 6.298 -2.555 1.00 . A A . 19 ASP C 1 1
4 1660 1 1 19 ASP CA C 3.844 6.192 -3.308 1.00 . A A . 19 ASP CA 1 1
4 1661 1 1 19 ASP CB C 3.050 7.494 -3.177 1.00 . A A . 19 ASP CB 1 1
4 1662 1 1 19 ASP CG C 3.599 8.605 -4.053 1.00 . A A . 19 ASP CG 1 1
4 1663 1 1 19 ASP H H 2.959 4.997 -1.808 1.00 . A A . 19 ASP H 1 1
4 1664 1 1 19 ASP HA H 4.046 5.999 -4.351 1.00 . A A . 19 ASP HA 1 1
4 1665 1 1 19 ASP HB2 H 2.025 7.312 -3.461 1.00 . A A . 19 ASP HB2 1 1
4 1666 1 1 19 ASP HB3 H 3.082 7.821 -2.149 1.00 . A A . 19 ASP HB3 1 1
4 1667 1 1 19 ASP N N 3.082 5.073 -2.780 1.00 . A A . 19 ASP N 1 1
4 1668 1 1 19 ASP O O 5.269 7.036 -1.571 1.00 . A A . 19 ASP O 1 1
4 1669 1 1 19 ASP OD1 O 4.587 9.253 -3.643 1.00 . A A . 19 ASP OD1 1 1
4 1670 1 1 19 ASP OD2 O 3.062 8.832 -5.157 1.00 . A A . 19 ASP OD2 1 1
4 1671 1 1 20 DPR C C 7.315 5.033 -0.858 1.00 . A A . 20 DPR C 1 1
4 1672 1 1 20 DPR CA C 7.467 5.469 -2.312 1.00 . A A . 20 DPR CA 1 1
4 1673 1 1 20 DPR CB C 8.246 4.419 -3.102 1.00 . A A . 20 DPR CB 1 1
4 1674 1 1 20 DPR CD C 6.139 4.691 -4.195 1.00 . A A . 20 DPR CD 1 1
4 1675 1 1 20 DPR CG C 7.585 4.369 -4.435 1.00 . A A . 20 DPR CG 1 1
4 1676 1 1 20 DPR HA H 7.992 6.408 -2.356 1.00 . A A . 20 DPR HA 1 1
4 1677 1 1 20 DPR HB2 H 8.183 3.467 -2.597 1.00 . A A . 20 DPR HB2 1 1
4 1678 1 1 20 DPR HB3 H 9.278 4.722 -3.183 1.00 . A A . 20 DPR HB3 1 1
4 1679 1 1 20 DPR HD2 H 5.575 3.789 -4.013 1.00 . A A . 20 DPR HD2 1 1
4 1680 1 1 20 DPR HD3 H 5.732 5.230 -5.035 1.00 . A A . 20 DPR HD3 1 1
4 1681 1 1 20 DPR HG2 H 7.683 3.380 -4.856 1.00 . A A . 20 DPR HG2 1 1
4 1682 1 1 20 DPR HG3 H 8.028 5.102 -5.091 1.00 . A A . 20 DPR HG3 1 1
4 1683 1 1 20 DPR N N 6.174 5.539 -2.993 1.00 . A A . 20 DPR N 1 1
4 1684 1 1 20 DPR O O 6.834 3.935 -0.577 1.00 . A A . 20 DPR O 1 1
4 1685 1 1 21 PRO C C 6.208 5.830 2.068 1.00 . A A . 21 PRO C 1 1
4 1686 1 1 21 PRO CA C 7.616 5.607 1.516 1.00 . A A . 21 PRO CA 1 1
4 1687 1 1 21 PRO CB C 8.589 6.609 2.129 1.00 . A A . 21 PRO CB 1 1
4 1688 1 1 21 PRO CD C 8.331 7.209 -0.172 1.00 . A A . 21 PRO CD 1 1
4 1689 1 1 21 PRO CG C 8.544 7.776 1.204 1.00 . A A . 21 PRO CG 1 1
4 1690 1 1 21 PRO HA H 7.937 4.603 1.742 1.00 . A A . 21 PRO HA 1 1
4 1691 1 1 21 PRO HB2 H 8.258 6.877 3.122 1.00 . A A . 21 PRO HB2 1 1
4 1692 1 1 21 PRO HB3 H 9.578 6.179 2.174 1.00 . A A . 21 PRO HB3 1 1
4 1693 1 1 21 PRO HD2 H 7.666 7.838 -0.742 1.00 . A A . 21 PRO HD2 1 1
4 1694 1 1 21 PRO HD3 H 9.274 7.097 -0.683 1.00 . A A . 21 PRO HD3 1 1
4 1695 1 1 21 PRO HG2 H 7.723 8.425 1.472 1.00 . A A . 21 PRO HG2 1 1
4 1696 1 1 21 PRO HG3 H 9.478 8.316 1.246 1.00 . A A . 21 PRO HG3 1 1
4 1697 1 1 21 PRO N N 7.717 5.894 0.085 1.00 . A A . 21 PRO N 1 1
4 1698 1 1 21 PRO O O 5.947 5.593 3.248 1.00 . A A . 21 PRO O 1 1
4 1699 1 1 22 ARG C C 2.990 5.501 1.156 1.00 . A A . 22 ARG C 1 1
4 1700 1 1 22 ARG CA C 3.942 6.581 1.638 1.00 . A A . 22 ARG CA 1 1
4 1701 1 1 22 ARG CB C 3.498 7.948 1.114 1.00 . A A . 22 ARG CB 1 1
4 1702 1 1 22 ARG CD C 3.955 9.192 3.248 1.00 . A A . 22 ARG CD 1 1
4 1703 1 1 22 ARG CG C 4.235 9.113 1.754 1.00 . A A . 22 ARG CG 1 1
4 1704 1 1 22 ARG CZ C 1.911 8.965 4.616 1.00 . A A . 22 ARG CZ 1 1
4 1705 1 1 22 ARG H H 5.551 6.423 0.273 1.00 . A A . 22 ARG H 1 1
4 1706 1 1 22 ARG HA H 3.926 6.595 2.716 1.00 . A A . 22 ARG HA 1 1
4 1707 1 1 22 ARG HB2 H 3.668 7.983 0.048 1.00 . A A . 22 ARG HB2 1 1
4 1708 1 1 22 ARG HB3 H 2.443 8.066 1.306 1.00 . A A . 22 ARG HB3 1 1
4 1709 1 1 22 ARG HD2 H 4.261 8.265 3.707 1.00 . A A . 22 ARG HD2 1 1
4 1710 1 1 22 ARG HD3 H 4.530 10.006 3.668 1.00 . A A . 22 ARG HD3 1 1
4 1711 1 1 22 ARG HE H 2.022 9.935 2.866 1.00 . A A . 22 ARG HE 1 1
4 1712 1 1 22 ARG HG2 H 5.296 8.982 1.601 1.00 . A A . 22 ARG HG2 1 1
4 1713 1 1 22 ARG HG3 H 3.912 10.032 1.285 1.00 . A A . 22 ARG HG3 1 1
4 1714 1 1 22 ARG HH11 H 2.101 7.934 6.350 1.00 . A A . 22 ARG HH11 1 1
4 1715 1 1 22 ARG HH12 H 3.553 8.081 5.413 1.00 . A A . 22 ARG HH12 1 1
4 1716 1 1 22 ARG HH21 H 0.143 8.873 5.602 1.00 . A A . 22 ARG HH21 1 1
4 1717 1 1 22 ARG HH22 H 0.105 9.736 4.098 1.00 . A A . 22 ARG HH22 1 1
4 1718 1 1 22 ARG N N 5.303 6.292 1.216 1.00 . A A . 22 ARG N 1 1
4 1719 1 1 22 ARG NE N 2.537 9.416 3.529 1.00 . A A . 22 ARG NE 1 1
4 1720 1 1 22 ARG NH1 N 2.576 8.273 5.533 1.00 . A A . 22 ARG NH1 1 1
4 1721 1 1 22 ARG NH2 N 0.617 9.211 4.786 1.00 . A A . 22 ARG NH2 1 1
4 1722 1 1 22 ARG O O 3.094 5.028 0.026 1.00 . A A . 22 ARG O 1 1
4 1723 1 1 23 TYR C C -0.303 4.528 1.966 1.00 . A A . 23 TYR C 1 1
4 1724 1 1 23 TYR CA C 1.119 4.061 1.698 1.00 . A A . 23 TYR CA 1 1
4 1725 1 1 23 TYR CB C 1.408 2.811 2.527 1.00 . A A . 23 TYR CB 1 1
4 1726 1 1 23 TYR CD1 C 3.733 2.614 3.481 1.00 . A A . 23 TYR CD1 1 1
4 1727 1 1 23 TYR CD2 C 3.308 1.649 1.347 1.00 . A A . 23 TYR CD2 1 1
4 1728 1 1 23 TYR CE1 C 5.046 2.200 3.413 1.00 . A A . 23 TYR CE1 1 1
4 1729 1 1 23 TYR CE2 C 4.619 1.228 1.271 1.00 . A A . 23 TYR CE2 1 1
4 1730 1 1 23 TYR CG C 2.842 2.347 2.452 1.00 . A A . 23 TYR CG 1 1
4 1731 1 1 23 TYR CZ C 5.476 1.479 2.323 1.00 . A A . 23 TYR CZ 1 1
4 1732 1 1 23 TYR H H 2.025 5.543 2.900 1.00 . A A . 23 TYR H 1 1
4 1733 1 1 23 TYR HA H 1.222 3.823 0.650 1.00 . A A . 23 TYR HA 1 1
4 1734 1 1 23 TYR HB2 H 1.180 3.014 3.562 1.00 . A A . 23 TYR HB2 1 1
4 1735 1 1 23 TYR HB3 H 0.778 2.005 2.177 1.00 . A A . 23 TYR HB3 1 1
4 1736 1 1 23 TYR HD1 H 3.385 3.156 4.348 1.00 . A A . 23 TYR HD1 1 1
4 1737 1 1 23 TYR HD2 H 2.626 1.430 0.539 1.00 . A A . 23 TYR HD2 1 1
4 1738 1 1 23 TYR HE1 H 5.723 2.417 4.224 1.00 . A A . 23 TYR HE1 1 1
4 1739 1 1 23 TYR HE2 H 4.961 0.685 0.404 1.00 . A A . 23 TYR HE2 1 1
4 1740 1 1 23 TYR HH H 7.188 1.426 1.411 1.00 . A A . 23 TYR HH 1 1
4 1741 1 1 23 TYR N N 2.069 5.112 2.018 1.00 . A A . 23 TYR N 1 1
4 1742 1 1 23 TYR O O -0.635 4.935 3.082 1.00 . A A . 23 TYR O 1 1
4 1743 1 1 23 TYR OH O 6.795 1.095 2.230 1.00 . A A . 23 TYR OH 1 1
4 1744 1 1 24 GLU C C -3.396 3.583 0.936 1.00 . A A . 24 GLU C 1 1
4 1745 1 1 24 GLU CA C -2.533 4.830 1.083 1.00 . A A . 24 GLU CA 1 1
4 1746 1 1 24 GLU CB C -2.916 5.883 0.042 1.00 . A A . 24 GLU CB 1 1
4 1747 1 1 24 GLU CD C -2.718 8.289 -0.709 1.00 . A A . 24 GLU CD 1 1
4 1748 1 1 24 GLU CG C -2.292 7.246 0.302 1.00 . A A . 24 GLU CG 1 1
4 1749 1 1 24 GLU H H -0.808 4.151 0.075 1.00 . A A . 24 GLU H 1 1
4 1750 1 1 24 GLU HA H -2.672 5.240 2.071 1.00 . A A . 24 GLU HA 1 1
4 1751 1 1 24 GLU HB2 H -2.594 5.544 -0.931 1.00 . A A . 24 GLU HB2 1 1
4 1752 1 1 24 GLU HB3 H -3.989 5.995 0.038 1.00 . A A . 24 GLU HB3 1 1
4 1753 1 1 24 GLU HG2 H -2.585 7.582 1.286 1.00 . A A . 24 GLU HG2 1 1
4 1754 1 1 24 GLU HG3 H -1.216 7.148 0.264 1.00 . A A . 24 GLU HG3 1 1
4 1755 1 1 24 GLU N N -1.136 4.468 0.946 1.00 . A A . 24 GLU N 1 1
4 1756 1 1 24 GLU O O -3.187 2.797 0.021 1.00 . A A . 24 GLU O 1 1
4 1757 1 1 24 GLU OE1 O -3.936 8.428 -0.947 1.00 . A A . 24 GLU OE1 1 1
4 1758 1 1 24 GLU OE2 O -1.840 8.976 -1.269 1.00 . A A . 24 GLU OE2 1 1
4 1759 1 1 25 MVA C C -6.549 2.311 2.469 1.00 . A A . 25 MVA C 1 1
4 1760 1 1 25 MVA CA C -5.180 2.147 1.796 1.00 . A A . 25 MVA CA 1 1
4 1761 1 1 25 MVA CB C -4.429 0.938 2.423 1.00 . A A . 25 MVA CB 1 1
4 1762 1 1 25 MVA CG1 C -3.874 1.262 3.803 1.00 . A A . 25 MVA CG1 1 1
4 1763 1 1 25 MVA CG2 C -5.341 -0.278 2.484 1.00 . A A . 25 MVA CG2 1 1
4 1764 1 1 25 MVA CN C -4.648 4.411 2.851 1.00 . A A . 25 MVA CN 1 1
4 1765 1 1 25 MVA HA H -5.371 1.890 0.762 1.00 . A A . 25 MVA HA 1 1
4 1766 1 1 25 MVA HB H -3.595 0.694 1.780 1.00 . A A . 25 MVA HB 1 1
4 1767 1 1 25 MVA HG11 H -4.681 1.557 4.455 1.00 . A A . 25 MVA HG11 1 1
4 1768 1 1 25 MVA HG12 H -3.161 2.069 3.723 1.00 . A A . 25 MVA HG12 1 1
4 1769 1 1 25 MVA HG13 H -3.384 0.389 4.205 1.00 . A A . 25 MVA HG13 1 1
4 1770 1 1 25 MVA HG21 H -4.794 -1.119 2.885 1.00 . A A . 25 MVA HG21 1 1
4 1771 1 1 25 MVA HG22 H -5.693 -0.514 1.491 1.00 . A A . 25 MVA HG22 1 1
4 1772 1 1 25 MVA HG23 H -6.186 -0.061 3.123 1.00 . A A . 25 MVA HG23 1 1
4 1773 1 1 25 MVA HN1 H -3.828 4.458 3.553 1.00 . A A . 25 MVA HN1 1 1
4 1774 1 1 25 MVA HN2 H -5.558 4.162 3.377 1.00 . A A . 25 MVA HN2 1 1
4 1775 1 1 25 MVA HN3 H -4.761 5.368 2.368 1.00 . A A . 25 MVA HN3 1 1
4 1776 1 1 25 MVA N N -4.369 3.376 1.836 1.00 . A A . 25 MVA N 1 1
4 1777 1 1 25 MVA O O -6.670 2.468 3.690 1.00 . A A . 25 MVA O 1 1
4 1778 1 1 26 HIS C C -9.695 1.102 1.961 1.00 . A A . 26 HIS C 1 1
4 1779 1 1 26 HIS CA C -8.944 2.419 2.092 1.00 . A A . 26 HIS CA 1 1
4 1780 1 1 26 HIS CB C -9.648 3.499 1.266 1.00 . A A . 26 HIS CB 1 1
4 1781 1 1 26 HIS CD2 C -8.206 5.395 0.232 1.00 . A A . 26 HIS CD2 1 1
4 1782 1 1 26 HIS CE1 C -8.152 6.738 1.959 1.00 . A A . 26 HIS CE1 1 1
4 1783 1 1 26 HIS CG C -8.920 4.811 1.223 1.00 . A A . 26 HIS CG 1 1
4 1784 1 1 26 HIS H H -7.411 2.076 0.693 1.00 . A A . 26 HIS H 1 1
4 1785 1 1 26 HIS HA H -8.928 2.716 3.129 1.00 . A A . 26 HIS HA 1 1
4 1786 1 1 26 HIS HB2 H -9.757 3.147 0.252 1.00 . A A . 26 HIS HB2 1 1
4 1787 1 1 26 HIS HB3 H -10.625 3.678 1.683 1.00 . A A . 26 HIS HB3 1 1
4 1788 1 1 26 HIS HD1 H -9.278 5.534 3.174 1.00 . A A . 26 HIS HD1 1 1
4 1789 1 1 26 HIS HD2 H -8.038 4.997 -0.757 1.00 . A A . 26 HIS HD2 1 1
4 1790 1 1 26 HIS HE1 H -7.941 7.581 2.598 1.00 . A A . 26 HIS HE1 1 1
4 1791 1 1 26 HIS HE2 H -7.066 7.155 0.276 1.00 . A A . 26 HIS HE2 1 1
4 1792 1 1 26 HIS N N -7.578 2.253 1.645 1.00 . A A . 26 HIS N 1 1
4 1793 1 1 26 HIS ND1 N -8.864 5.679 2.291 1.00 . A A . 26 HIS ND1 1 1
4 1794 1 1 26 HIS NE2 N -7.739 6.590 0.716 1.00 . A A . 26 HIS NE2 1 1
4 1795 1 1 26 HIS O O -9.913 0.606 0.855 1.00 . A A . 26 HIS O 1 1
4 1796 1 1 27 CYS C C -12.304 -0.397 3.267 1.00 . A A . 27 CYS C 1 1
4 1797 1 1 27 CYS CA C -10.822 -0.708 3.101 1.00 . A A . 27 CYS CA 1 1
4 1798 1 1 27 CYS CB C -10.335 -1.630 4.224 1.00 . A A . 27 CYS CB 1 1
4 1799 1 1 27 CYS H H -9.812 0.943 3.940 1.00 . A A . 27 CYS H 1 1
4 1800 1 1 27 CYS HA H -10.672 -1.201 2.151 1.00 . A A . 27 CYS HA 1 1
4 1801 1 1 27 CYS HB2 H -10.476 -1.135 5.173 1.00 . A A . 27 CYS HB2 1 1
4 1802 1 1 27 CYS HB3 H -10.919 -2.537 4.209 1.00 . A A . 27 CYS HB3 1 1
4 1803 1 1 27 CYS N N -10.059 0.526 3.088 1.00 . A A . 27 CYS N 1 1
4 1804 1 1 27 CYS O O -13.106 -0.611 2.356 1.00 . A A . 27 CYS O 1 1
4 1805 1 1 27 CYS SG S -8.577 -2.098 4.104 1.00 . A A . 27 CYS SG 1 1
4 1806 1 1 28 NH2 HN1 H -11.973 0.265 5.108 1.00 . A A . 28 NH2 HN1 1 1
4 1807 1 1 28 NH2 HN2 H -13.613 0.343 4.564 1.00 . A A . 28 NH2 HN2 1 1
4 1808 1 1 28 NH2 N N -12.667 0.120 4.429 1.00 . A A . 28 NH2 N 1 1
5 1809 1 1 1 ASN C C 10.768 -1.639 -1.289 1.00 . A A . 1 ASN C 1 1
5 1810 1 1 1 ASN CA C 11.389 -0.584 -0.383 1.00 . A A . 1 ASN CA 1 1
5 1811 1 1 1 ASN CB C 12.737 -0.138 -0.957 1.00 . A A . 1 ASN CB 1 1
5 1812 1 1 1 ASN CG C 13.342 1.018 -0.184 1.00 . A A . 1 ASN CG 1 1
5 1813 1 1 1 ASN H1 H 10.639 -1.399 1.378 1.00 . A A . 1 ASN H1 1 1
5 1814 1 1 1 ASN H2 H 11.950 -0.363 1.610 1.00 . A A . 1 ASN H2 1 1
5 1815 1 1 1 ASN H3 H 12.202 -1.916 1.000 1.00 . A A . 1 ASN H3 1 1
5 1816 1 1 1 ASN HA H 10.727 0.267 -0.342 1.00 . A A . 1 ASN HA 1 1
5 1817 1 1 1 ASN HB2 H 13.427 -0.967 -0.923 1.00 . A A . 1 ASN HB2 1 1
5 1818 1 1 1 ASN HB3 H 12.600 0.170 -1.982 1.00 . A A . 1 ASN HB3 1 1
5 1819 1 1 1 ASN HD21 H 15.172 0.376 -0.609 1.00 . A A . 1 ASN HD21 1 1
5 1820 1 1 1 ASN HD22 H 15.081 1.815 0.345 1.00 . A A . 1 ASN HD22 1 1
5 1821 1 1 1 ASN N N 11.558 -1.102 0.994 1.00 . A A . 1 ASN N 1 1
5 1822 1 1 1 ASN ND2 N 14.662 1.076 -0.145 1.00 . A A . 1 ASN ND2 1 1
5 1823 1 1 1 ASN O O 10.122 -1.312 -2.283 1.00 . A A . 1 ASN O 1 1
5 1824 1 1 1 ASN OD1 O 12.630 1.852 0.375 1.00 . A A . 1 ASN OD1 1 1
5 1825 1 1 2 ASP C C 8.897 -4.096 -1.470 1.00 . A A . 2 ASP C 1 1
5 1826 1 1 2 ASP CA C 10.397 -4.010 -1.717 1.00 . A A . 2 ASP CA 1 1
5 1827 1 1 2 ASP CB C 11.078 -5.335 -1.349 1.00 . A A . 2 ASP CB 1 1
5 1828 1 1 2 ASP CG C 10.556 -6.513 -2.153 1.00 . A A . 2 ASP CG 1 1
5 1829 1 1 2 ASP H H 11.526 -3.113 -0.165 1.00 . A A . 2 ASP H 1 1
5 1830 1 1 2 ASP HA H 10.564 -3.807 -2.763 1.00 . A A . 2 ASP HA 1 1
5 1831 1 1 2 ASP HB2 H 12.139 -5.248 -1.530 1.00 . A A . 2 ASP HB2 1 1
5 1832 1 1 2 ASP HB3 H 10.914 -5.538 -0.301 1.00 . A A . 2 ASP HB3 1 1
5 1833 1 1 2 ASP N N 10.971 -2.908 -0.949 1.00 . A A . 2 ASP N 1 1
5 1834 1 1 2 ASP O O 8.114 -4.358 -2.383 1.00 . A A . 2 ASP O 1 1
5 1835 1 1 2 ASP OD1 O 9.628 -7.202 -1.679 1.00 . A A . 2 ASP OD1 1 1
5 1836 1 1 2 ASP OD2 O 11.055 -6.740 -3.274 1.00 . A A . 2 ASP OD2 1 1
5 1837 1 1 3 B3K C C 5.291 -2.392 -0.826 1.00 . A A . 3 B3K C 1 1
5 1838 1 1 3 B3K CA C 6.483 -2.489 0.098 1.00 . A A . 3 B3K CA 1 1
5 1839 1 1 3 B3K CB C 7.088 -3.892 0.120 1.00 . A A . 3 B3K CB 1 1
5 1840 1 1 3 B3K CD C 7.525 -5.858 1.694 1.00 . A A . 3 B3K CD 1 1
5 1841 1 1 3 B3K CE C 7.249 -6.432 3.072 1.00 . A A . 3 B3K CE 1 1
5 1842 1 1 3 B3K CF C 7.946 -7.769 3.266 1.00 . A A . 3 B3K CF 1 1
5 1843 1 1 3 B3K CG C 6.909 -4.479 1.525 1.00 . A A . 3 B3K CG 1 1
5 1844 1 1 3 B3K H H 9.156 -3.621 0.452 1.00 . A A . 3 B3K H 1 1
5 1845 1 1 3 B3K HA1 H 6.164 -2.229 1.096 1.00 . A A . 3 B3K HA1 1 1
5 1846 1 1 3 B3K HA2 H 7.231 -1.783 -0.234 1.00 . A A . 3 B3K HA2 1 1
5 1847 1 1 3 B3K HB H 6.586 -4.512 -0.623 1.00 . A A . 3 B3K HB 1 1
5 1848 1 1 3 B3K HD2 H 8.593 -5.785 1.550 1.00 . A A . 3 B3K HD2 1 1
5 1849 1 1 3 B3K HD3 H 7.107 -6.520 0.952 1.00 . A A . 3 B3K HD3 1 1
5 1850 1 1 3 B3K HE2 H 6.184 -6.570 3.187 1.00 . A A . 3 B3K HE2 1 1
5 1851 1 1 3 B3K HE3 H 7.607 -5.738 3.820 1.00 . A A . 3 B3K HE3 1 1
5 1852 1 1 3 B3K HF1 H 7.653 -8.177 4.222 1.00 . A A . 3 B3K HF1 1 1
5 1853 1 1 3 B3K HF2 H 9.013 -7.609 3.256 1.00 . A A . 3 B3K HF2 1 1
5 1854 1 1 3 B3K HG2 H 5.854 -4.551 1.739 1.00 . A A . 3 B3K HG2 1 1
5 1855 1 1 3 B3K HG3 H 7.367 -3.814 2.241 1.00 . A A . 3 B3K HG3 1 1
5 1856 1 1 3 B3K HNZ1 H 7.882 -8.375 1.267 1.00 . A A . 3 B3K HNZ1 1 1
5 1857 1 1 3 B3K HNZ2 H 6.569 -8.910 2.188 1.00 . A A . 3 B3K HNZ2 1 1
5 1858 1 1 3 B3K N N 8.493 -3.847 -0.233 1.00 . A A . 3 B3K N 1 1
5 1859 1 1 3 B3K NZ N 7.593 -8.742 2.196 1.00 . A A . 3 B3K NZ 1 1
5 1860 1 1 3 B3K O O 4.190 -2.844 -0.498 1.00 . A A . 3 B3K O 1 1
5 1861 1 1 4 CYS C C 4.102 -3.011 -3.581 1.00 . A A . 4 CYS C 1 1
5 1862 1 1 4 CYS CA C 4.464 -1.656 -2.990 1.00 . A A . 4 CYS CA 1 1
5 1863 1 1 4 CYS CB C 4.890 -0.686 -4.098 1.00 . A A . 4 CYS CB 1 1
5 1864 1 1 4 CYS H H 6.409 -1.437 -2.183 1.00 . A A . 4 CYS H 1 1
5 1865 1 1 4 CYS HA H 3.594 -1.257 -2.492 1.00 . A A . 4 CYS HA 1 1
5 1866 1 1 4 CYS HB2 H 5.161 0.260 -3.655 1.00 . A A . 4 CYS HB2 1 1
5 1867 1 1 4 CYS HB3 H 5.748 -1.094 -4.614 1.00 . A A . 4 CYS HB3 1 1
5 1868 1 1 4 CYS N N 5.514 -1.799 -1.993 1.00 . A A . 4 CYS N 1 1
5 1869 1 1 4 CYS O O 2.956 -3.244 -3.956 1.00 . A A . 4 CYS O 1 1
5 1870 1 1 4 CYS SG S 3.593 -0.364 -5.341 1.00 . A A . 4 CYS SG 1 1
5 1871 1 1 5 LYS C C 3.901 -5.982 -3.155 1.00 . A A . 5 LYS C 1 1
5 1872 1 1 5 LYS CA C 4.826 -5.259 -4.126 1.00 . A A . 5 LYS CA 1 1
5 1873 1 1 5 LYS CB C 6.142 -6.019 -4.290 1.00 . A A . 5 LYS CB 1 1
5 1874 1 1 5 LYS CD C 8.464 -5.990 -5.253 1.00 . A A . 5 LYS CD 1 1
5 1875 1 1 5 LYS CE C 8.468 -7.502 -5.395 1.00 . A A . 5 LYS CE 1 1
5 1876 1 1 5 LYS CG C 7.061 -5.413 -5.337 1.00 . A A . 5 LYS CG 1 1
5 1877 1 1 5 LYS H H 5.980 -3.661 -3.360 1.00 . A A . 5 LYS H 1 1
5 1878 1 1 5 LYS HA H 4.336 -5.185 -5.084 1.00 . A A . 5 LYS HA 1 1
5 1879 1 1 5 LYS HB2 H 6.662 -6.026 -3.344 1.00 . A A . 5 LYS HB2 1 1
5 1880 1 1 5 LYS HB3 H 5.922 -7.035 -4.579 1.00 . A A . 5 LYS HB3 1 1
5 1881 1 1 5 LYS HD2 H 9.065 -5.565 -6.042 1.00 . A A . 5 LYS HD2 1 1
5 1882 1 1 5 LYS HD3 H 8.892 -5.726 -4.295 1.00 . A A . 5 LYS HD3 1 1
5 1883 1 1 5 LYS HE2 H 7.885 -7.929 -4.592 1.00 . A A . 5 LYS HE2 1 1
5 1884 1 1 5 LYS HE3 H 8.021 -7.764 -6.342 1.00 . A A . 5 LYS HE3 1 1
5 1885 1 1 5 LYS HG2 H 6.658 -5.617 -6.317 1.00 . A A . 5 LYS HG2 1 1
5 1886 1 1 5 LYS HG3 H 7.110 -4.345 -5.182 1.00 . A A . 5 LYS HG3 1 1
5 1887 1 1 5 LYS HZ1 H 10.324 -7.733 -4.467 1.00 . A A . 5 LYS HZ1 1 1
5 1888 1 1 5 LYS HZ2 H 10.393 -7.732 -6.160 1.00 . A A . 5 LYS HZ2 1 1
5 1889 1 1 5 LYS HZ3 H 9.816 -9.093 -5.342 1.00 . A A . 5 LYS HZ3 1 1
5 1890 1 1 5 LYS N N 5.076 -3.908 -3.648 1.00 . A A . 5 LYS N 1 1
5 1891 1 1 5 LYS NZ N 9.845 -8.054 -5.338 1.00 . A A . 5 LYS NZ 1 1
5 1892 1 1 5 LYS O O 2.695 -6.078 -3.388 1.00 . A A . 5 LYS O 1 1
5 1893 1 1 6 B3E C C 2.752 -6.046 1.021 1.00 . A A . 6 B3E C 1 1
5 1894 1 1 6 B3E CA C 3.974 -6.613 0.338 1.00 . A A . 6 B3E CA 1 1
5 1895 1 1 6 B3E CB C 3.661 -7.149 -1.056 1.00 . A A . 6 B3E CB 1 1
5 1896 1 1 6 B3E CD C 3.625 -9.320 -2.403 1.00 . A A . 6 B3E CD 1 1
5 1897 1 1 6 B3E CE C 3.887 -10.809 -2.385 1.00 . A A . 6 B3E CE 1 1
5 1898 1 1 6 B3E CG C 3.941 -8.657 -1.074 1.00 . A A . 6 B3E CG 1 1
5 1899 1 1 6 B3E H H 5.425 -6.373 -1.919 1.00 . A A . 6 B3E H 1 1
5 1900 1 1 6 B3E HA1 H 4.365 -7.416 0.943 1.00 . A A . 6 B3E HA1 1 1
5 1901 1 1 6 B3E HA2 H 4.716 -5.829 0.261 1.00 . A A . 6 B3E HA2 1 1
5 1902 1 1 6 B3E HB H 2.614 -6.946 -1.290 1.00 . A A . 6 B3E HB 1 1
5 1903 1 1 6 B3E HD2 H 4.238 -8.870 -3.171 1.00 . A A . 6 B3E HD2 1 1
5 1904 1 1 6 B3E HD3 H 2.584 -9.156 -2.634 1.00 . A A . 6 B3E HD3 1 1
5 1905 1 1 6 B3E HG2 H 3.343 -9.129 -0.310 1.00 . A A . 6 B3E HG2 1 1
5 1906 1 1 6 B3E HG3 H 4.984 -8.823 -0.853 1.00 . A A . 6 B3E HG3 1 1
5 1907 1 1 6 B3E N N 4.456 -6.469 -2.056 1.00 . A A . 6 B3E N 1 1
5 1908 1 1 6 B3E O O 1.937 -6.780 1.587 1.00 . A A . 6 B3E O 1 1
5 1909 1 1 6 B3E OF1 O 4.998 -11.227 -2.774 1.00 . A A . 6 B3E OF1 1 1
5 1910 1 1 6 B3E OF2 O 2.978 -11.572 -1.988 1.00 . A A . 6 B3E OF2 1 1
5 1911 1 1 7 LEU C C 0.348 -3.924 0.577 1.00 . A A . 7 LEU C 1 1
5 1912 1 1 7 LEU CA C 1.492 -4.049 1.573 1.00 . A A . 7 LEU CA 1 1
5 1913 1 1 7 LEU CB C 1.907 -2.666 2.084 1.00 . A A . 7 LEU CB 1 1
5 1914 1 1 7 LEU CD1 C 3.373 -1.247 3.539 1.00 . A A . 7 LEU CD1 1 1
5 1915 1 1 7 LEU CD2 C 2.745 -3.539 4.288 1.00 . A A . 7 LEU CD2 1 1
5 1916 1 1 7 LEU CG C 3.065 -2.663 3.088 1.00 . A A . 7 LEU CG 1 1
5 1917 1 1 7 LEU H H 3.299 -4.198 0.490 1.00 . A A . 7 LEU H 1 1
5 1918 1 1 7 LEU HA H 1.159 -4.646 2.406 1.00 . A A . 7 LEU HA 1 1
5 1919 1 1 7 LEU HB2 H 2.192 -2.062 1.235 1.00 . A A . 7 LEU HB2 1 1
5 1920 1 1 7 LEU HB3 H 1.052 -2.211 2.558 1.00 . A A . 7 LEU HB3 1 1
5 1921 1 1 7 LEU HD11 H 3.654 -0.649 2.685 1.00 . A A . 7 LEU HD11 1 1
5 1922 1 1 7 LEU HD12 H 4.185 -1.265 4.251 1.00 . A A . 7 LEU HD12 1 1
5 1923 1 1 7 LEU HD13 H 2.497 -0.820 4.005 1.00 . A A . 7 LEU HD13 1 1
5 1924 1 1 7 LEU HD21 H 3.546 -3.467 5.009 1.00 . A A . 7 LEU HD21 1 1
5 1925 1 1 7 LEU HD22 H 2.642 -4.565 3.969 1.00 . A A . 7 LEU HD22 1 1
5 1926 1 1 7 LEU HD23 H 1.823 -3.207 4.740 1.00 . A A . 7 LEU HD23 1 1
5 1927 1 1 7 LEU HG H 3.948 -3.059 2.610 1.00 . A A . 7 LEU HG 1 1
5 1928 1 1 7 LEU N N 2.620 -4.727 0.963 1.00 . A A . 7 LEU N 1 1
5 1929 1 1 7 LEU O O -0.770 -4.352 0.865 1.00 . A A . 7 LEU O 1 1
5 1930 1 1 8 LYS C C -1.046 -4.522 -1.929 1.00 . A A . 8 LYS C 1 1
5 1931 1 1 8 LYS CA C -0.381 -3.185 -1.637 1.00 . A A . 8 LYS CA 1 1
5 1932 1 1 8 LYS CB C 0.224 -2.590 -2.913 1.00 . A A . 8 LYS CB 1 1
5 1933 1 1 8 LYS CD C -0.174 -1.680 -5.235 1.00 . A A . 8 LYS CD 1 1
5 1934 1 1 8 LYS CE C 0.665 -2.706 -5.982 1.00 . A A . 8 LYS CE 1 1
5 1935 1 1 8 LYS CG C -0.810 -2.265 -3.981 1.00 . A A . 8 LYS CG 1 1
5 1936 1 1 8 LYS H H 1.553 -3.068 -0.782 1.00 . A A . 8 LYS H 1 1
5 1937 1 1 8 LYS HA H -1.125 -2.506 -1.249 1.00 . A A . 8 LYS HA 1 1
5 1938 1 1 8 LYS HB2 H 0.744 -1.679 -2.659 1.00 . A A . 8 LYS HB2 1 1
5 1939 1 1 8 LYS HB3 H 0.931 -3.293 -3.328 1.00 . A A . 8 LYS HB3 1 1
5 1940 1 1 8 LYS HD2 H -0.957 -1.327 -5.889 1.00 . A A . 8 LYS HD2 1 1
5 1941 1 1 8 LYS HD3 H 0.457 -0.850 -4.950 1.00 . A A . 8 LYS HD3 1 1
5 1942 1 1 8 LYS HE2 H 1.150 -2.216 -6.813 1.00 . A A . 8 LYS HE2 1 1
5 1943 1 1 8 LYS HE3 H 1.415 -3.097 -5.312 1.00 . A A . 8 LYS HE3 1 1
5 1944 1 1 8 LYS HG2 H -1.332 -3.170 -4.246 1.00 . A A . 8 LYS HG2 1 1
5 1945 1 1 8 LYS HG3 H -1.510 -1.549 -3.579 1.00 . A A . 8 LYS HG3 1 1
5 1946 1 1 8 LYS HZ1 H -0.855 -3.482 -7.185 1.00 . A A . 8 LYS HZ1 1 1
5 1947 1 1 8 LYS HZ2 H -0.663 -4.300 -5.723 1.00 . A A . 8 LYS HZ2 1 1
5 1948 1 1 8 LYS HZ3 H 0.450 -4.534 -6.972 1.00 . A A . 8 LYS HZ3 1 1
5 1949 1 1 8 LYS N N 0.638 -3.362 -0.604 1.00 . A A . 8 LYS N 1 1
5 1950 1 1 8 LYS NZ N -0.158 -3.833 -6.501 1.00 . A A . 8 LYS NZ 1 1
5 1951 1 1 8 LYS O O -2.269 -4.633 -1.933 1.00 . A A . 8 LYS O 1 1
5 1952 1 1 9 B3K C C -1.319 -8.300 -0.397 1.00 . A A . 9 B3K C 1 1
5 1953 1 1 9 B3K CA C -0.232 -7.813 -1.321 1.00 . A A . 9 B3K CA 1 1
5 1954 1 1 9 B3K CB C -0.748 -6.862 -2.399 1.00 . A A . 9 B3K CB 1 1
5 1955 1 1 9 B3K CD C -0.933 -8.702 -4.163 1.00 . A A . 9 B3K CD 1 1
5 1956 1 1 9 B3K CE C -0.307 -9.287 -5.419 1.00 . A A . 9 B3K CE 1 1
5 1957 1 1 9 B3K CF C -0.445 -8.356 -6.614 1.00 . A A . 9 B3K CF 1 1
5 1958 1 1 9 B3K CG C -0.276 -7.391 -3.759 1.00 . A A . 9 B3K CG 1 1
5 1959 1 1 9 B3K H H 0.739 -5.391 -2.177 1.00 . A A . 9 B3K H 1 1
5 1960 1 1 9 B3K HA1 H 0.219 -8.669 -1.796 1.00 . A A . 9 B3K HA1 1 1
5 1961 1 1 9 B3K HA2 H 0.512 -7.302 -0.727 1.00 . A A . 9 B3K HA2 1 1
5 1962 1 1 9 B3K HB H -1.843 -6.796 -2.339 1.00 . A A . 9 B3K HB 1 1
5 1963 1 1 9 B3K HD2 H -1.982 -8.525 -4.344 1.00 . A A . 9 B3K HD2 1 1
5 1964 1 1 9 B3K HD3 H -0.822 -9.412 -3.357 1.00 . A A . 9 B3K HD3 1 1
5 1965 1 1 9 B3K HE2 H -0.797 -10.223 -5.647 1.00 . A A . 9 B3K HE2 1 1
5 1966 1 1 9 B3K HE3 H 0.741 -9.467 -5.235 1.00 . A A . 9 B3K HE3 1 1
5 1967 1 1 9 B3K HF1 H 0.060 -8.801 -7.457 1.00 . A A . 9 B3K HF1 1 1
5 1968 1 1 9 B3K HF2 H 0.025 -7.415 -6.374 1.00 . A A . 9 B3K HF2 1 1
5 1969 1 1 9 B3K HG2 H 0.793 -7.543 -3.722 1.00 . A A . 9 B3K HG2 1 1
5 1970 1 1 9 B3K HG3 H -0.500 -6.653 -4.515 1.00 . A A . 9 B3K HG3 1 1
5 1971 1 1 9 B3K HNZ1 H -1.917 -7.512 -7.829 1.00 . A A . 9 B3K HNZ1 1 1
5 1972 1 1 9 B3K HNZ2 H -2.357 -7.620 -6.200 1.00 . A A . 9 B3K HNZ2 1 1
5 1973 1 1 9 B3K N N -0.231 -5.540 -2.165 1.00 . A A . 9 B3K N 1 1
5 1974 1 1 9 B3K NZ N -1.865 -8.107 -6.977 1.00 . A A . 9 B3K NZ 1 1
5 1975 1 1 9 B3K O O -2.167 -9.108 -0.777 1.00 . A A . 9 B3K O 1 1
5 1976 1 1 10 ARG C C -3.486 -7.282 1.838 1.00 . A A . 10 ARG C 1 1
5 1977 1 1 10 ARG CA C -2.261 -8.189 1.840 1.00 . A A . 10 ARG CA 1 1
5 1978 1 1 10 ARG CB C -1.609 -8.194 3.222 1.00 . A A . 10 ARG CB 1 1
5 1979 1 1 10 ARG CD C 0.095 -9.232 4.760 1.00 . A A . 10 ARG CD 1 1
5 1980 1 1 10 ARG CG C -0.526 -9.252 3.374 1.00 . A A . 10 ARG CG 1 1
5 1981 1 1 10 ARG CZ C 1.937 -7.851 5.655 1.00 . A A . 10 ARG CZ 1 1
5 1982 1 1 10 ARG H H -0.597 -7.142 1.063 1.00 . A A . 10 ARG H 1 1
5 1983 1 1 10 ARG HA H -2.582 -9.191 1.606 1.00 . A A . 10 ARG HA 1 1
5 1984 1 1 10 ARG HB2 H -1.166 -7.223 3.402 1.00 . A A . 10 ARG HB2 1 1
5 1985 1 1 10 ARG HB3 H -2.371 -8.376 3.964 1.00 . A A . 10 ARG HB3 1 1
5 1986 1 1 10 ARG HD2 H -0.683 -9.396 5.493 1.00 . A A . 10 ARG HD2 1 1
5 1987 1 1 10 ARG HD3 H 0.821 -10.028 4.824 1.00 . A A . 10 ARG HD3 1 1
5 1988 1 1 10 ARG HE H 0.291 -7.133 4.776 1.00 . A A . 10 ARG HE 1 1
5 1989 1 1 10 ARG HG2 H -0.960 -10.226 3.202 1.00 . A A . 10 ARG HG2 1 1
5 1990 1 1 10 ARG HG3 H 0.247 -9.068 2.643 1.00 . A A . 10 ARG HG3 1 1
5 1991 1 1 10 ARG HH11 H 3.488 -8.854 6.486 1.00 . A A . 10 ARG HH11 1 1
5 1992 1 1 10 ARG HH12 H 2.220 -9.848 5.853 1.00 . A A . 10 ARG HH12 1 1
5 1993 1 1 10 ARG HH21 H 3.339 -6.557 6.345 1.00 . A A . 10 ARG HH21 1 1
5 1994 1 1 10 ARG HH22 H 1.946 -5.828 5.612 1.00 . A A . 10 ARG HH22 1 1
5 1995 1 1 10 ARG N N -1.293 -7.795 0.830 1.00 . A A . 10 ARG N 1 1
5 1996 1 1 10 ARG NE N 0.759 -7.958 5.047 1.00 . A A . 10 ARG NE 1 1
5 1997 1 1 10 ARG NH1 N 2.601 -8.937 6.028 1.00 . A A . 10 ARG NH1 1 1
5 1998 1 1 10 ARG NH2 N 2.451 -6.652 5.888 1.00 . A A . 10 ARG NH2 1 1
5 1999 1 1 10 ARG O O -4.558 -7.689 2.278 1.00 . A A . 10 ARG O 1 1
5 2000 1 1 11 TYR C C -5.194 -5.198 -0.042 1.00 . A A . 11 TYR C 1 1
5 2001 1 1 11 TYR CA C -4.447 -5.113 1.287 1.00 . A A . 11 TYR CA 1 1
5 2002 1 1 11 TYR CB C -3.946 -3.682 1.493 1.00 . A A . 11 TYR CB 1 1
5 2003 1 1 11 TYR CD1 C -4.422 -3.383 3.954 1.00 . A A . 11 TYR CD1 1 1
5 2004 1 1 11 TYR CD2 C -2.190 -3.057 3.194 1.00 . A A . 11 TYR CD2 1 1
5 2005 1 1 11 TYR CE1 C -4.026 -3.110 5.248 1.00 . A A . 11 TYR CE1 1 1
5 2006 1 1 11 TYR CE2 C -1.785 -2.781 4.485 1.00 . A A . 11 TYR CE2 1 1
5 2007 1 1 11 TYR CG C -3.513 -3.363 2.906 1.00 . A A . 11 TYR CG 1 1
5 2008 1 1 11 TYR CZ C -2.727 -2.741 5.500 1.00 . A A . 11 TYR CZ 1 1
5 2009 1 1 11 TYR H H -2.461 -5.789 0.985 1.00 . A A . 11 TYR H 1 1
5 2010 1 1 11 TYR HA H -5.127 -5.364 2.087 1.00 . A A . 11 TYR HA 1 1
5 2011 1 1 11 TYR HB2 H -3.100 -3.512 0.847 1.00 . A A . 11 TYR HB2 1 1
5 2012 1 1 11 TYR HB3 H -4.736 -2.996 1.226 1.00 . A A . 11 TYR HB3 1 1
5 2013 1 1 11 TYR HD1 H -5.457 -3.616 3.748 1.00 . A A . 11 TYR HD1 1 1
5 2014 1 1 11 TYR HD2 H -1.471 -3.035 2.389 1.00 . A A . 11 TYR HD2 1 1
5 2015 1 1 11 TYR HE1 H -4.750 -3.133 6.049 1.00 . A A . 11 TYR HE1 1 1
5 2016 1 1 11 TYR HE2 H -0.751 -2.544 4.688 1.00 . A A . 11 TYR HE2 1 1
5 2017 1 1 11 TYR HH H -1.673 -1.811 6.794 1.00 . A A . 11 TYR HH 1 1
5 2018 1 1 11 TYR N N -3.337 -6.062 1.333 1.00 . A A . 11 TYR N 1 1
5 2019 1 1 11 TYR O O -5.881 -4.258 -0.434 1.00 . A A . 11 TYR O 1 1
5 2020 1 1 11 TYR OH O -2.309 -2.539 6.801 1.00 . A A . 11 TYR OH 1 1
5 2021 1 1 12 ABA C C -7.196 -6.303 -1.991 1.00 . A A . 12 AIB C 1 1
5 2022 1 1 12 ABA CA C -5.685 -6.570 -2.032 1.00 . A A . 12 AIB CA 1 1
5 2023 1 1 12 ABA H H -4.553 -7.065 -0.303 1.00 . A A . 12 AIB H 1 1
5 2024 1 1 12 ABA N N -5.074 -6.345 -0.709 1.00 . A A . 12 AIB N 1 1
5 2025 1 1 12 ABA O O -7.769 -5.779 -2.947 1.00 . A A . 12 AIB O 1 1
5 2026 1 1 13 GLY C C -9.664 -5.043 -0.455 1.00 . A A . 13 GLY C 1 1
5 2027 1 1 13 GLY CA C -9.269 -6.478 -0.757 1.00 . A A . 13 GLY CA 1 1
5 2028 1 1 13 GLY H H -7.326 -7.057 -0.143 1.00 . A A . 13 GLY H 1 1
5 2029 1 1 13 GLY HA2 H -9.739 -6.781 -1.679 1.00 . A A . 13 GLY HA2 1 1
5 2030 1 1 13 GLY HA3 H -9.629 -7.111 0.039 1.00 . A A . 13 GLY HA3 1 1
5 2031 1 1 13 GLY N N -7.834 -6.659 -0.883 1.00 . A A . 13 GLY N 1 1
5 2032 1 1 13 GLY O O -10.846 -4.730 -0.298 1.00 . A A . 13 GLY O 1 1
5 2033 1 1 14 CYS C C -8.430 -1.922 -1.269 1.00 . A A . 14 CYS C 1 1
5 2034 1 1 14 CYS CA C -8.902 -2.767 -0.096 1.00 . A A . 14 CYS CA 1 1
5 2035 1 1 14 CYS CB C -8.142 -2.359 1.168 1.00 . A A . 14 CYS CB 1 1
5 2036 1 1 14 CYS H H -7.753 -4.481 -0.516 1.00 . A A . 14 CYS H 1 1
5 2037 1 1 14 CYS HA H -9.959 -2.615 0.053 1.00 . A A . 14 CYS HA 1 1
5 2038 1 1 14 CYS HB2 H -7.086 -2.504 1.003 1.00 . A A . 14 CYS HB2 1 1
5 2039 1 1 14 CYS HB3 H -8.329 -1.314 1.369 1.00 . A A . 14 CYS HB3 1 1
5 2040 1 1 14 CYS N N -8.674 -4.172 -0.374 1.00 . A A . 14 CYS N 1 1
5 2041 1 1 14 CYS O O -7.801 -2.432 -2.198 1.00 . A A . 14 CYS O 1 1
5 2042 1 1 14 CYS SG S -8.600 -3.303 2.657 1.00 . A A . 14 CYS SG 1 1
5 2043 1 1 15 GLU C C -6.880 0.803 -1.766 1.00 . A A . 15 GLU C 1 1
5 2044 1 1 15 GLU CA C -8.234 0.287 -2.236 1.00 . A A . 15 GLU CA 1 1
5 2045 1 1 15 GLU CB C -9.205 1.450 -2.456 1.00 . A A . 15 GLU CB 1 1
5 2046 1 1 15 GLU CD C -11.476 2.177 -3.281 1.00 . A A . 15 GLU CD 1 1
5 2047 1 1 15 GLU CG C -10.597 1.010 -2.886 1.00 . A A . 15 GLU CG 1 1
5 2048 1 1 15 GLU H H -9.322 -0.300 -0.515 1.00 . A A . 15 GLU H 1 1
5 2049 1 1 15 GLU HA H -8.106 -0.255 -3.160 1.00 . A A . 15 GLU HA 1 1
5 2050 1 1 15 GLU HB2 H -9.295 2.007 -1.536 1.00 . A A . 15 GLU HB2 1 1
5 2051 1 1 15 GLU HB3 H -8.804 2.098 -3.221 1.00 . A A . 15 GLU HB3 1 1
5 2052 1 1 15 GLU HG2 H -10.507 0.343 -3.730 1.00 . A A . 15 GLU HG2 1 1
5 2053 1 1 15 GLU HG3 H -11.066 0.488 -2.065 1.00 . A A . 15 GLU HG3 1 1
5 2054 1 1 15 GLU N N -8.746 -0.638 -1.237 1.00 . A A . 15 GLU N 1 1
5 2055 1 1 15 GLU O O -6.807 1.509 -0.761 1.00 . A A . 15 GLU O 1 1
5 2056 1 1 15 GLU OE1 O -11.942 2.909 -2.381 1.00 . A A . 15 GLU OE1 1 1
5 2057 1 1 15 GLU OE2 O -11.704 2.373 -4.494 1.00 . A A . 15 GLU OE2 1 1
5 2058 1 1 16 MVA C C -3.408 1.122 -2.986 1.00 . A A . 16 MVA C 1 1
5 2059 1 1 16 MVA CA C -4.441 0.724 -1.925 1.00 . A A . 16 MVA CA 1 1
5 2060 1 1 16 MVA CB C -3.912 -0.498 -1.115 1.00 . A A . 16 MVA CB 1 1
5 2061 1 1 16 MVA CG1 C -3.951 -1.783 -1.931 1.00 . A A . 16 MVA CG1 1 1
5 2062 1 1 16 MVA CG2 C -2.499 -0.237 -0.600 1.00 . A A . 16 MVA CG2 1 1
5 2063 1 1 16 MVA CN C -5.957 -0.106 -3.829 1.00 . A A . 16 MVA CN 1 1
5 2064 1 1 16 MVA HA H -4.502 1.548 -1.227 1.00 . A A . 16 MVA HA 1 1
5 2065 1 1 16 MVA HB H -4.556 -0.634 -0.259 1.00 . A A . 16 MVA HB 1 1
5 2066 1 1 16 MVA HG11 H -3.362 -1.657 -2.826 1.00 . A A . 16 MVA HG11 1 1
5 2067 1 1 16 MVA HG12 H -4.973 -2.006 -2.200 1.00 . A A . 16 MVA HG12 1 1
5 2068 1 1 16 MVA HG13 H -3.548 -2.594 -1.345 1.00 . A A . 16 MVA HG13 1 1
5 2069 1 1 16 MVA HG21 H -2.490 0.669 -0.010 1.00 . A A . 16 MVA HG21 1 1
5 2070 1 1 16 MVA HG22 H -1.827 -0.125 -1.437 1.00 . A A . 16 MVA HG22 1 1
5 2071 1 1 16 MVA HG23 H -2.179 -1.068 0.010 1.00 . A A . 16 MVA HG23 1 1
5 2072 1 1 16 MVA HN1 H -4.997 -0.146 -4.323 1.00 . A A . 16 MVA HN1 1 1
5 2073 1 1 16 MVA HN2 H -6.631 0.514 -4.402 1.00 . A A . 16 MVA HN2 1 1
5 2074 1 1 16 MVA HN3 H -6.361 -1.104 -3.752 1.00 . A A . 16 MVA HN3 1 1
5 2075 1 1 16 MVA N N -5.791 0.469 -2.473 1.00 . A A . 16 MVA N 1 1
5 2076 1 1 16 MVA O O -3.105 0.379 -3.923 1.00 . A A . 16 MVA O 1 1
5 2077 1 1 17 ARG C C -0.555 3.097 -2.996 1.00 . A A . 17 ARG C 1 1
5 2078 1 1 17 ARG CA C -1.861 2.834 -3.727 1.00 . A A . 17 ARG CA 1 1
5 2079 1 1 17 ARG CB C -2.364 4.129 -4.364 1.00 . A A . 17 ARG CB 1 1
5 2080 1 1 17 ARG CD C -4.143 5.305 -5.691 1.00 . A A . 17 ARG CD 1 1
5 2081 1 1 17 ARG CG C -3.676 3.976 -5.118 1.00 . A A . 17 ARG CG 1 1
5 2082 1 1 17 ARG CZ C -6.415 6.140 -6.184 1.00 . A A . 17 ARG CZ 1 1
5 2083 1 1 17 ARG H H -3.094 2.833 -2.012 1.00 . A A . 17 ARG H 1 1
5 2084 1 1 17 ARG HA H -1.692 2.099 -4.497 1.00 . A A . 17 ARG HA 1 1
5 2085 1 1 17 ARG HB2 H -2.504 4.864 -3.587 1.00 . A A . 17 ARG HB2 1 1
5 2086 1 1 17 ARG HB3 H -1.616 4.488 -5.055 1.00 . A A . 17 ARG HB3 1 1
5 2087 1 1 17 ARG HD2 H -4.186 6.030 -4.893 1.00 . A A . 17 ARG HD2 1 1
5 2088 1 1 17 ARG HD3 H -3.428 5.634 -6.432 1.00 . A A . 17 ARG HD3 1 1
5 2089 1 1 17 ARG HE H -5.648 4.420 -6.876 1.00 . A A . 17 ARG HE 1 1
5 2090 1 1 17 ARG HG2 H -3.535 3.274 -5.925 1.00 . A A . 17 ARG HG2 1 1
5 2091 1 1 17 ARG HG3 H -4.429 3.601 -4.439 1.00 . A A . 17 ARG HG3 1 1
5 2092 1 1 17 ARG HH11 H -5.325 7.329 -4.953 1.00 . A A . 17 ARG HH11 1 1
5 2093 1 1 17 ARG HH12 H -6.913 7.914 -5.336 1.00 . A A . 17 ARG HH12 1 1
5 2094 1 1 17 ARG HH21 H -8.298 6.692 -6.704 1.00 . A A . 17 ARG HH21 1 1
5 2095 1 1 17 ARG HH22 H -7.754 5.184 -7.367 1.00 . A A . 17 ARG HH22 1 1
5 2096 1 1 17 ARG N N -2.850 2.306 -2.807 1.00 . A A . 17 ARG N 1 1
5 2097 1 1 17 ARG NE N -5.466 5.212 -6.317 1.00 . A A . 17 ARG NE 1 1
5 2098 1 1 17 ARG NH1 N -6.200 7.212 -5.429 1.00 . A A . 17 ARG NH1 1 1
5 2099 1 1 17 ARG NH2 N -7.582 5.994 -6.802 1.00 . A A . 17 ARG NH2 1 1
5 2100 1 1 17 ARG O O -0.550 3.646 -1.894 1.00 . A A . 17 ARG O 1 1
5 2101 1 1 18 CYS C C 2.378 4.288 -3.560 1.00 . A A . 18 CYS C 1 1
5 2102 1 1 18 CYS CA C 1.854 2.960 -3.030 1.00 . A A . 18 CYS CA 1 1
5 2103 1 1 18 CYS CB C 2.829 1.823 -3.361 1.00 . A A . 18 CYS CB 1 1
5 2104 1 1 18 CYS H H 0.482 2.227 -4.462 1.00 . A A . 18 CYS H 1 1
5 2105 1 1 18 CYS HA H 1.737 3.028 -1.957 1.00 . A A . 18 CYS HA 1 1
5 2106 1 1 18 CYS HB2 H 3.768 2.008 -2.863 1.00 . A A . 18 CYS HB2 1 1
5 2107 1 1 18 CYS HB3 H 2.413 0.896 -2.998 1.00 . A A . 18 CYS HB3 1 1
5 2108 1 1 18 CYS N N 0.547 2.698 -3.603 1.00 . A A . 18 CYS N 1 1
5 2109 1 1 18 CYS O O 2.312 4.554 -4.760 1.00 . A A . 18 CYS O 1 1
5 2110 1 1 18 CYS SG S 3.178 1.615 -5.141 1.00 . A A . 18 CYS SG 1 1
5 2111 1 1 19 ASP C C 4.703 6.719 -2.417 1.00 . A A . 19 ASP C 1 1
5 2112 1 1 19 ASP CA C 3.350 6.446 -3.063 1.00 . A A . 19 ASP CA 1 1
5 2113 1 1 19 ASP CB C 2.336 7.516 -2.649 1.00 . A A . 19 ASP CB 1 1
5 2114 1 1 19 ASP CG C 2.511 8.817 -3.409 1.00 . A A . 19 ASP CG 1 1
5 2115 1 1 19 ASP H H 2.926 4.866 -1.724 1.00 . A A . 19 ASP H 1 1
5 2116 1 1 19 ASP HA H 3.461 6.456 -4.135 1.00 . A A . 19 ASP HA 1 1
5 2117 1 1 19 ASP HB2 H 1.339 7.147 -2.831 1.00 . A A . 19 ASP HB2 1 1
5 2118 1 1 19 ASP HB3 H 2.452 7.720 -1.595 1.00 . A A . 19 ASP HB3 1 1
5 2119 1 1 19 ASP N N 2.872 5.131 -2.671 1.00 . A A . 19 ASP N 1 1
5 2120 1 1 19 ASP O O 4.787 7.416 -1.405 1.00 . A A . 19 ASP O 1 1
5 2121 1 1 19 ASP OD1 O 3.511 9.523 -3.155 1.00 . A A . 19 ASP OD1 1 1
5 2122 1 1 19 ASP OD2 O 1.655 9.145 -4.259 1.00 . A A . 19 ASP OD2 1 1
5 2123 1 1 20 DPR C C 7.179 5.631 -1.031 1.00 . A A . 20 DPR C 1 1
5 2124 1 1 20 DPR CA C 7.124 6.268 -2.415 1.00 . A A . 20 DPR CA 1 1
5 2125 1 1 20 DPR CB C 8.015 5.506 -3.398 1.00 . A A . 20 DPR CB 1 1
5 2126 1 1 20 DPR CD C 5.789 5.401 -4.249 1.00 . A A . 20 DPR CD 1 1
5 2127 1 1 20 DPR CG C 7.232 5.443 -4.662 1.00 . A A . 20 DPR CG 1 1
5 2128 1 1 20 DPR HA H 7.453 7.291 -2.355 1.00 . A A . 20 DPR HA 1 1
5 2129 1 1 20 DPR HB2 H 8.219 4.519 -3.010 1.00 . A A . 20 DPR HB2 1 1
5 2130 1 1 20 DPR HB3 H 8.942 6.043 -3.535 1.00 . A A . 20 DPR HB3 1 1
5 2131 1 1 20 DPR HD2 H 5.470 4.383 -4.085 1.00 . A A . 20 DPR HD2 1 1
5 2132 1 1 20 DPR HD3 H 5.170 5.878 -4.993 1.00 . A A . 20 DPR HD3 1 1
5 2133 1 1 20 DPR HG2 H 7.491 4.551 -5.211 1.00 . A A . 20 DPR HG2 1 1
5 2134 1 1 20 DPR HG3 H 7.426 6.322 -5.257 1.00 . A A . 20 DPR HG3 1 1
5 2135 1 1 20 DPR N N 5.782 6.163 -2.991 1.00 . A A . 20 DPR N 1 1
5 2136 1 1 20 DPR O O 6.896 4.442 -0.871 1.00 . A A . 20 DPR O 1 1
5 2137 1 1 21 PRO C C 6.181 5.942 2.019 1.00 . A A . 21 PRO C 1 1
5 2138 1 1 21 PRO CA C 7.566 5.952 1.376 1.00 . A A . 21 PRO CA 1 1
5 2139 1 1 21 PRO CB C 8.460 6.984 2.056 1.00 . A A . 21 PRO CB 1 1
5 2140 1 1 21 PRO CD C 7.944 7.831 -0.125 1.00 . A A . 21 PRO CD 1 1
5 2141 1 1 21 PRO CG C 8.208 8.243 1.301 1.00 . A A . 21 PRO CG 1 1
5 2142 1 1 21 PRO HA H 8.012 4.972 1.454 1.00 . A A . 21 PRO HA 1 1
5 2143 1 1 21 PRO HB2 H 8.179 7.081 3.095 1.00 . A A . 21 PRO HB2 1 1
5 2144 1 1 21 PRO HB3 H 9.493 6.679 1.981 1.00 . A A . 21 PRO HB3 1 1
5 2145 1 1 21 PRO HD2 H 7.152 8.429 -0.549 1.00 . A A . 21 PRO HD2 1 1
5 2146 1 1 21 PRO HD3 H 8.843 7.919 -0.716 1.00 . A A . 21 PRO HD3 1 1
5 2147 1 1 21 PRO HG2 H 7.347 8.748 1.708 1.00 . A A . 21 PRO HG2 1 1
5 2148 1 1 21 PRO HG3 H 9.077 8.881 1.350 1.00 . A A . 21 PRO HG3 1 1
5 2149 1 1 21 PRO N N 7.530 6.419 -0.009 1.00 . A A . 21 PRO N 1 1
5 2150 1 1 21 PRO O O 6.034 5.644 3.207 1.00 . A A . 21 PRO O 1 1
5 2151 1 1 22 ARG C C 2.943 5.266 1.120 1.00 . A A . 22 ARG C 1 1
5 2152 1 1 22 ARG CA C 3.807 6.355 1.734 1.00 . A A . 22 ARG CA 1 1
5 2153 1 1 22 ARG CB C 3.205 7.729 1.444 1.00 . A A . 22 ARG CB 1 1
5 2154 1 1 22 ARG CD C 3.936 8.678 3.651 1.00 . A A . 22 ARG CD 1 1
5 2155 1 1 22 ARG CG C 3.929 8.865 2.143 1.00 . A A . 22 ARG CG 1 1
5 2156 1 1 22 ARG CZ C 4.843 9.805 5.644 1.00 . A A . 22 ARG CZ 1 1
5 2157 1 1 22 ARG H H 5.342 6.488 0.288 1.00 . A A . 22 ARG H 1 1
5 2158 1 1 22 ARG HA H 3.842 6.206 2.801 1.00 . A A . 22 ARG HA 1 1
5 2159 1 1 22 ARG HB2 H 3.243 7.906 0.379 1.00 . A A . 22 ARG HB2 1 1
5 2160 1 1 22 ARG HB3 H 2.173 7.735 1.765 1.00 . A A . 22 ARG HB3 1 1
5 2161 1 1 22 ARG HD2 H 2.917 8.622 4.002 1.00 . A A . 22 ARG HD2 1 1
5 2162 1 1 22 ARG HD3 H 4.446 7.754 3.883 1.00 . A A . 22 ARG HD3 1 1
5 2163 1 1 22 ARG HE H 4.905 10.537 3.782 1.00 . A A . 22 ARG HE 1 1
5 2164 1 1 22 ARG HG2 H 4.949 8.896 1.789 1.00 . A A . 22 ARG HG2 1 1
5 2165 1 1 22 ARG HG3 H 3.435 9.795 1.905 1.00 . A A . 22 ARG HG3 1 1
5 2166 1 1 22 ARG HH11 H 4.669 8.804 7.398 1.00 . A A . 22 ARG HH11 1 1
5 2167 1 1 22 ARG HH12 H 4.062 7.969 6.004 1.00 . A A . 22 ARG HH12 1 1
5 2168 1 1 22 ARG HH21 H 5.618 10.879 7.173 1.00 . A A . 22 ARG HH21 1 1
5 2169 1 1 22 ARG HH22 H 5.727 11.622 5.609 1.00 . A A . 22 ARG HH22 1 1
5 2170 1 1 22 ARG N N 5.168 6.284 1.234 1.00 . A A . 22 ARG N 1 1
5 2171 1 1 22 ARG NE N 4.612 9.775 4.335 1.00 . A A . 22 ARG NE 1 1
5 2172 1 1 22 ARG NH1 N 4.494 8.778 6.410 1.00 . A A . 22 ARG NH1 1 1
5 2173 1 1 22 ARG NH2 N 5.442 10.852 6.184 1.00 . A A . 22 ARG NH2 1 1
5 2174 1 1 22 ARG O O 3.198 4.804 0.007 1.00 . A A . 22 ARG O 1 1
5 2175 1 1 23 TYR C C -0.412 4.194 1.739 1.00 . A A . 23 TYR C 1 1
5 2176 1 1 23 TYR CA C 1.024 3.808 1.424 1.00 . A A . 23 TYR CA 1 1
5 2177 1 1 23 TYR CB C 1.370 2.488 2.111 1.00 . A A . 23 TYR CB 1 1
5 2178 1 1 23 TYR CD1 C 3.814 2.347 2.735 1.00 . A A . 23 TYR CD1 1 1
5 2179 1 1 23 TYR CD2 C 3.092 1.276 0.733 1.00 . A A . 23 TYR CD2 1 1
5 2180 1 1 23 TYR CE1 C 5.108 1.929 2.497 1.00 . A A . 23 TYR CE1 1 1
5 2181 1 1 23 TYR CE2 C 4.382 0.855 0.488 1.00 . A A . 23 TYR CE2 1 1
5 2182 1 1 23 TYR CG C 2.785 2.027 1.856 1.00 . A A . 23 TYR CG 1 1
5 2183 1 1 23 TYR CZ C 5.387 1.183 1.372 1.00 . A A . 23 TYR CZ 1 1
5 2184 1 1 23 TYR H H 1.776 5.278 2.734 1.00 . A A . 23 TYR H 1 1
5 2185 1 1 23 TYR HA H 1.134 3.691 0.356 1.00 . A A . 23 TYR HA 1 1
5 2186 1 1 23 TYR HB2 H 1.245 2.601 3.178 1.00 . A A . 23 TYR HB2 1 1
5 2187 1 1 23 TYR HB3 H 0.699 1.719 1.754 1.00 . A A . 23 TYR HB3 1 1
5 2188 1 1 23 TYR HD1 H 3.591 2.933 3.614 1.00 . A A . 23 TYR HD1 1 1
5 2189 1 1 23 TYR HD2 H 2.303 1.022 0.042 1.00 . A A . 23 TYR HD2 1 1
5 2190 1 1 23 TYR HE1 H 5.894 2.188 3.190 1.00 . A A . 23 TYR HE1 1 1
5 2191 1 1 23 TYR HE2 H 4.599 0.272 -0.391 1.00 . A A . 23 TYR HE2 1 1
5 2192 1 1 23 TYR HH H 6.898 0.951 0.206 1.00 . A A . 23 TYR HH 1 1
5 2193 1 1 23 TYR N N 1.928 4.858 1.860 1.00 . A A . 23 TYR N 1 1
5 2194 1 1 23 TYR O O -0.818 4.219 2.901 1.00 . A A . 23 TYR O 1 1
5 2195 1 1 23 TYR OH O 6.672 0.762 1.125 1.00 . A A . 23 TYR OH 1 1
5 2196 1 1 24 GLU C C -3.467 3.678 0.767 1.00 . A A . 24 GLU C 1 1
5 2197 1 1 24 GLU CA C -2.558 4.894 0.870 1.00 . A A . 24 GLU CA 1 1
5 2198 1 1 24 GLU CB C -2.940 5.936 -0.182 1.00 . A A . 24 GLU CB 1 1
5 2199 1 1 24 GLU CD C -2.502 7.892 1.350 1.00 . A A . 24 GLU CD 1 1
5 2200 1 1 24 GLU CG C -2.228 7.266 -0.004 1.00 . A A . 24 GLU CG 1 1
5 2201 1 1 24 GLU H H -0.801 4.419 -0.203 1.00 . A A . 24 GLU H 1 1
5 2202 1 1 24 GLU HA H -2.661 5.329 1.850 1.00 . A A . 24 GLU HA 1 1
5 2203 1 1 24 GLU HB2 H -2.695 5.548 -1.159 1.00 . A A . 24 GLU HB2 1 1
5 2204 1 1 24 GLU HB3 H -4.004 6.108 -0.131 1.00 . A A . 24 GLU HB3 1 1
5 2205 1 1 24 GLU HG2 H -1.165 7.109 -0.102 1.00 . A A . 24 GLU HG2 1 1
5 2206 1 1 24 GLU HG3 H -2.564 7.946 -0.773 1.00 . A A . 24 GLU HG3 1 1
5 2207 1 1 24 GLU N N -1.174 4.493 0.704 1.00 . A A . 24 GLU N 1 1
5 2208 1 1 24 GLU O O -3.375 2.922 -0.195 1.00 . A A . 24 GLU O 1 1
5 2209 1 1 24 GLU OE1 O -3.606 8.442 1.545 1.00 . A A . 24 GLU OE1 1 1
5 2210 1 1 24 GLU OE2 O -1.616 7.837 2.226 1.00 . A A . 24 GLU OE2 1 1
5 2211 1 1 25 MVA C C -6.537 2.427 2.459 1.00 . A A . 25 MVA C 1 1
5 2212 1 1 25 MVA CA C -5.186 2.245 1.756 1.00 . A A . 25 MVA CA 1 1
5 2213 1 1 25 MVA CB C -4.420 1.047 2.390 1.00 . A A . 25 MVA CB 1 1
5 2214 1 1 25 MVA CG1 C -3.838 1.391 3.753 1.00 . A A . 25 MVA CG1 1 1
5 2215 1 1 25 MVA CG2 C -5.324 -0.170 2.489 1.00 . A A . 25 MVA CG2 1 1
5 2216 1 1 25 MVA CN C -4.547 4.503 2.787 1.00 . A A . 25 MVA CN 1 1
5 2217 1 1 25 MVA HA H -5.404 1.965 0.734 1.00 . A A . 25 MVA HA 1 1
5 2218 1 1 25 MVA HB H -3.598 0.795 1.735 1.00 . A A . 25 MVA HB 1 1
5 2219 1 1 25 MVA HG11 H -3.365 0.516 4.174 1.00 . A A . 25 MVA HG11 1 1
5 2220 1 1 25 MVA HG12 H -4.628 1.725 4.407 1.00 . A A . 25 MVA HG12 1 1
5 2221 1 1 25 MVA HG13 H -3.105 2.177 3.643 1.00 . A A . 25 MVA HG13 1 1
5 2222 1 1 25 MVA HG21 H -4.770 -0.997 2.906 1.00 . A A . 25 MVA HG21 1 1
5 2223 1 1 25 MVA HG22 H -5.682 -0.435 1.506 1.00 . A A . 25 MVA HG22 1 1
5 2224 1 1 25 MVA HG23 H -6.165 0.058 3.127 1.00 . A A . 25 MVA HG23 1 1
5 2225 1 1 25 MVA HN1 H -4.691 5.465 2.320 1.00 . A A . 25 MVA HN1 1 1
5 2226 1 1 25 MVA HN2 H -3.673 4.536 3.420 1.00 . A A . 25 MVA HN2 1 1
5 2227 1 1 25 MVA HN3 H -5.415 4.260 3.382 1.00 . A A . 25 MVA HN3 1 1
5 2228 1 1 25 MVA N N -4.363 3.470 1.744 1.00 . A A . 25 MVA N 1 1
5 2229 1 1 25 MVA O O -6.623 2.677 3.664 1.00 . A A . 25 MVA O 1 1
5 2230 1 1 26 HIS C C -9.651 1.076 2.232 1.00 . A A . 26 HIS C 1 1
5 2231 1 1 26 HIS CA C -8.953 2.428 2.183 1.00 . A A . 26 HIS CA 1 1
5 2232 1 1 26 HIS CB C -9.756 3.386 1.295 1.00 . A A . 26 HIS CB 1 1
5 2233 1 1 26 HIS CD2 C -8.367 5.445 0.536 1.00 . A A . 26 HIS CD2 1 1
5 2234 1 1 26 HIS CE1 C -9.150 6.901 1.971 1.00 . A A . 26 HIS CE1 1 1
5 2235 1 1 26 HIS CG C -9.272 4.804 1.314 1.00 . A A . 26 HIS CG 1 1
5 2236 1 1 26 HIS H H -7.460 2.033 0.736 1.00 . A A . 26 HIS H 1 1
5 2237 1 1 26 HIS HA H -8.897 2.832 3.182 1.00 . A A . 26 HIS HA 1 1
5 2238 1 1 26 HIS HB2 H -9.710 3.037 0.276 1.00 . A A . 26 HIS HB2 1 1
5 2239 1 1 26 HIS HB3 H -10.784 3.382 1.621 1.00 . A A . 26 HIS HB3 1 1
5 2240 1 1 26 HIS HD1 H -10.414 5.588 2.905 1.00 . A A . 26 HIS HD1 1 1
5 2241 1 1 26 HIS HD2 H -7.798 5.013 -0.274 1.00 . A A . 26 HIS HD2 1 1
5 2242 1 1 26 HIS HE1 H -9.323 7.819 2.513 1.00 . A A . 26 HIS HE1 1 1
5 2243 1 1 26 HIS HE2 H -7.858 7.482 0.492 1.00 . A A . 26 HIS HE2 1 1
5 2244 1 1 26 HIS N N -7.597 2.277 1.682 1.00 . A A . 26 HIS N 1 1
5 2245 1 1 26 HIS ND1 N -9.742 5.746 2.203 1.00 . A A . 26 HIS ND1 1 1
5 2246 1 1 26 HIS NE2 N -8.311 6.748 0.965 1.00 . A A . 26 HIS NE2 1 1
5 2247 1 1 26 HIS O O -9.839 0.430 1.200 1.00 . A A . 26 HIS O 1 1
5 2248 1 1 27 CYS C C -12.169 -0.289 4.080 1.00 . A A . 27 CYS C 1 1
5 2249 1 1 27 CYS CA C -10.753 -0.592 3.605 1.00 . A A . 27 CYS CA 1 1
5 2250 1 1 27 CYS CB C -10.050 -1.495 4.619 1.00 . A A . 27 CYS CB 1 1
5 2251 1 1 27 CYS H H -9.784 1.179 4.218 1.00 . A A . 27 CYS H 1 1
5 2252 1 1 27 CYS HA H -10.798 -1.096 2.651 1.00 . A A . 27 CYS HA 1 1
5 2253 1 1 27 CYS HB2 H -10.002 -0.984 5.568 1.00 . A A . 27 CYS HB2 1 1
5 2254 1 1 27 CYS HB3 H -10.622 -2.404 4.735 1.00 . A A . 27 CYS HB3 1 1
5 2255 1 1 27 CYS N N -10.016 0.648 3.427 1.00 . A A . 27 CYS N 1 1
5 2256 1 1 27 CYS O O -12.530 -0.557 5.224 1.00 . A A . 27 CYS O 1 1
5 2257 1 1 27 CYS SG S -8.350 -1.967 4.162 1.00 . A A . 27 CYS SG 1 1
5 2258 1 1 28 NH2 HN1 H -12.616 0.471 2.306 1.00 . A A . 28 NH2 HN1 1 1
5 2259 1 1 28 NH2 HN2 H -13.880 0.503 3.482 1.00 . A A . 28 NH2 HN2 1 1
5 2260 1 1 28 NH2 N N -12.968 0.285 3.202 1.00 . A A . 28 NH2 N 1 1
6 2261 1 1 1 ASN C C 10.811 -5.798 0.754 1.00 . A A . 1 ASN C 1 1
6 2262 1 1 1 ASN CA C 11.169 -6.843 1.795 1.00 . A A . 1 ASN CA 1 1
6 2263 1 1 1 ASN CB C 10.269 -6.669 3.022 1.00 . A A . 1 ASN CB 1 1
6 2264 1 1 1 ASN CG C 10.604 -7.635 4.139 1.00 . A A . 1 ASN CG 1 1
6 2265 1 1 1 ASN H1 H 13.195 -6.819 1.328 1.00 . A A . 1 ASN H1 1 1
6 2266 1 1 1 ASN H2 H 12.857 -7.430 2.866 1.00 . A A . 1 ASN H2 1 1
6 2267 1 1 1 ASN H3 H 12.768 -5.766 2.578 1.00 . A A . 1 ASN H3 1 1
6 2268 1 1 1 ASN HA H 11.017 -7.826 1.376 1.00 . A A . 1 ASN HA 1 1
6 2269 1 1 1 ASN HB2 H 10.377 -5.665 3.398 1.00 . A A . 1 ASN HB2 1 1
6 2270 1 1 1 ASN HB3 H 9.241 -6.828 2.731 1.00 . A A . 1 ASN HB3 1 1
6 2271 1 1 1 ASN HD21 H 9.974 -6.325 5.498 1.00 . A A . 1 ASN HD21 1 1
6 2272 1 1 1 ASN HD22 H 10.565 -7.831 6.116 1.00 . A A . 1 ASN HD22 1 1
6 2273 1 1 1 ASN N N 12.594 -6.706 2.168 1.00 . A A . 1 ASN N 1 1
6 2274 1 1 1 ASN ND2 N 10.357 -7.223 5.374 1.00 . A A . 1 ASN ND2 1 1
6 2275 1 1 1 ASN O O 11.337 -4.689 0.781 1.00 . A A . 1 ASN O 1 1
6 2276 1 1 1 ASN OD1 O 11.087 -8.738 3.896 1.00 . A A . 1 ASN OD1 1 1
6 2277 1 1 2 ASP C C 8.040 -4.823 -0.922 1.00 . A A . 2 ASP C 1 1
6 2278 1 1 2 ASP CA C 9.482 -5.206 -1.179 1.00 . A A . 2 ASP CA 1 1
6 2279 1 1 2 ASP CB C 9.628 -5.784 -2.589 1.00 . A A . 2 ASP CB 1 1
6 2280 1 1 2 ASP CG C 11.073 -5.975 -2.995 1.00 . A A . 2 ASP CG 1 1
6 2281 1 1 2 ASP H H 9.557 -7.058 -0.163 1.00 . A A . 2 ASP H 1 1
6 2282 1 1 2 ASP HA H 10.095 -4.321 -1.097 1.00 . A A . 2 ASP HA 1 1
6 2283 1 1 2 ASP HB2 H 9.132 -6.741 -2.632 1.00 . A A . 2 ASP HB2 1 1
6 2284 1 1 2 ASP HB3 H 9.161 -5.112 -3.294 1.00 . A A . 2 ASP HB3 1 1
6 2285 1 1 2 ASP N N 9.928 -6.149 -0.166 1.00 . A A . 2 ASP N 1 1
6 2286 1 1 2 ASP O O 7.113 -5.458 -1.429 1.00 . A A . 2 ASP O 1 1
6 2287 1 1 2 ASP OD1 O 11.635 -7.055 -2.720 1.00 . A A . 2 ASP OD1 1 1
6 2288 1 1 2 ASP OD2 O 11.655 -5.047 -3.601 1.00 . A A . 2 ASP OD2 1 1
6 2289 1 1 3 B3K C C 5.021 -1.932 -1.213 1.00 . A A . 3 B3K C 1 1
6 2290 1 1 3 B3K CA C 6.249 -1.959 -0.330 1.00 . A A . 3 B3K CA 1 1
6 2291 1 1 3 B3K CB C 6.515 -3.350 0.234 1.00 . A A . 3 B3K CB 1 1
6 2292 1 1 3 B3K CD C 6.597 -4.645 2.438 1.00 . A A . 3 B3K CD 1 1
6 2293 1 1 3 B3K CE C 6.375 -4.556 3.941 1.00 . A A . 3 B3K CE 1 1
6 2294 1 1 3 B3K CF C 6.756 -5.850 4.647 1.00 . A A . 3 B3K CF 1 1
6 2295 1 1 3 B3K CG C 6.336 -3.309 1.755 1.00 . A A . 3 B3K CG 1 1
6 2296 1 1 3 B3K H H 8.626 -3.353 0.296 1.00 . A A . 3 B3K H 1 1
6 2297 1 1 3 B3K HA1 H 6.100 -1.270 0.487 1.00 . A A . 3 B3K HA1 1 1
6 2298 1 1 3 B3K HA2 H 7.100 -1.641 -0.916 1.00 . A A . 3 B3K HA2 1 1
6 2299 1 1 3 B3K HB H 5.816 -4.051 -0.213 1.00 . A A . 3 B3K HB 1 1
6 2300 1 1 3 B3K HD2 H 7.618 -4.941 2.250 1.00 . A A . 3 B3K HD2 1 1
6 2301 1 1 3 B3K HD3 H 5.925 -5.384 2.030 1.00 . A A . 3 B3K HD3 1 1
6 2302 1 1 3 B3K HE2 H 5.332 -4.349 4.127 1.00 . A A . 3 B3K HE2 1 1
6 2303 1 1 3 B3K HE3 H 6.978 -3.753 4.336 1.00 . A A . 3 B3K HE3 1 1
6 2304 1 1 3 B3K HF1 H 6.625 -5.715 5.710 1.00 . A A . 3 B3K HF1 1 1
6 2305 1 1 3 B3K HF2 H 7.794 -6.067 4.440 1.00 . A A . 3 B3K HF2 1 1
6 2306 1 1 3 B3K HG2 H 5.326 -3.007 1.977 1.00 . A A . 3 B3K HG2 1 1
6 2307 1 1 3 B3K HG3 H 7.018 -2.581 2.166 1.00 . A A . 3 B3K HG3 1 1
6 2308 1 1 3 B3K HNZ1 H 6.200 -7.861 4.721 1.00 . A A . 3 B3K HNZ1 1 1
6 2309 1 1 3 B3K HNZ2 H 6.064 -7.173 3.185 1.00 . A A . 3 B3K HNZ2 1 1
6 2310 1 1 3 B3K N N 7.848 -3.806 -0.096 1.00 . A A . 3 B3K N 1 1
6 2311 1 1 3 B3K NZ N 5.927 -7.001 4.201 1.00 . A A . 3 B3K NZ 1 1
6 2312 1 1 3 B3K O O 3.909 -2.249 -0.772 1.00 . A A . 3 B3K O 1 1
6 2313 1 1 4 CYS C C 3.844 -2.933 -3.967 1.00 . A A . 4 CYS C 1 1
6 2314 1 1 4 CYS CA C 4.160 -1.534 -3.454 1.00 . A A . 4 CYS CA 1 1
6 2315 1 1 4 CYS CB C 4.537 -0.623 -4.622 1.00 . A A . 4 CYS CB 1 1
6 2316 1 1 4 CYS H H 6.137 -1.324 -2.751 1.00 . A A . 4 CYS H 1 1
6 2317 1 1 4 CYS HA H 3.282 -1.136 -2.969 1.00 . A A . 4 CYS HA 1 1
6 2318 1 1 4 CYS HB2 H 5.495 -0.931 -5.011 1.00 . A A . 4 CYS HB2 1 1
6 2319 1 1 4 CYS HB3 H 3.793 -0.721 -5.398 1.00 . A A . 4 CYS HB3 1 1
6 2320 1 1 4 CYS N N 5.230 -1.573 -2.472 1.00 . A A . 4 CYS N 1 1
6 2321 1 1 4 CYS O O 2.765 -3.176 -4.503 1.00 . A A . 4 CYS O 1 1
6 2322 1 1 4 CYS SG S 4.662 1.143 -4.188 1.00 . A A . 4 CYS SG 1 1
6 2323 1 1 5 LYS C C 3.809 -5.981 -3.137 1.00 . A A . 5 LYS C 1 1
6 2324 1 1 5 LYS CA C 4.573 -5.229 -4.220 1.00 . A A . 5 LYS CA 1 1
6 2325 1 1 5 LYS CB C 5.900 -5.930 -4.516 1.00 . A A . 5 LYS CB 1 1
6 2326 1 1 5 LYS CD C 7.981 -6.059 -5.925 1.00 . A A . 5 LYS CD 1 1
6 2327 1 1 5 LYS CE C 7.712 -7.479 -6.400 1.00 . A A . 5 LYS CE 1 1
6 2328 1 1 5 LYS CG C 6.686 -5.305 -5.656 1.00 . A A . 5 LYS CG 1 1
6 2329 1 1 5 LYS H H 5.660 -3.588 -3.438 1.00 . A A . 5 LYS H 1 1
6 2330 1 1 5 LYS HA H 3.975 -5.218 -5.120 1.00 . A A . 5 LYS HA 1 1
6 2331 1 1 5 LYS HB2 H 6.514 -5.902 -3.628 1.00 . A A . 5 LYS HB2 1 1
6 2332 1 1 5 LYS HB3 H 5.700 -6.961 -4.768 1.00 . A A . 5 LYS HB3 1 1
6 2333 1 1 5 LYS HD2 H 8.539 -5.535 -6.685 1.00 . A A . 5 LYS HD2 1 1
6 2334 1 1 5 LYS HD3 H 8.558 -6.098 -5.014 1.00 . A A . 5 LYS HD3 1 1
6 2335 1 1 5 LYS HE2 H 7.138 -7.993 -5.645 1.00 . A A . 5 LYS HE2 1 1
6 2336 1 1 5 LYS HE3 H 7.142 -7.436 -7.315 1.00 . A A . 5 LYS HE3 1 1
6 2337 1 1 5 LYS HG2 H 6.080 -5.322 -6.548 1.00 . A A . 5 LYS HG2 1 1
6 2338 1 1 5 LYS HG3 H 6.922 -4.284 -5.400 1.00 . A A . 5 LYS HG3 1 1
6 2339 1 1 5 LYS HZ1 H 9.512 -8.331 -5.767 1.00 . A A . 5 LYS HZ1 1 1
6 2340 1 1 5 LYS HZ2 H 9.553 -7.748 -7.351 1.00 . A A . 5 LYS HZ2 1 1
6 2341 1 1 5 LYS HZ3 H 8.744 -9.187 -7.004 1.00 . A A . 5 LYS HZ3 1 1
6 2342 1 1 5 LYS N N 4.792 -3.848 -3.819 1.00 . A A . 5 LYS N 1 1
6 2343 1 1 5 LYS NZ N 8.967 -8.237 -6.646 1.00 . A A . 5 LYS NZ 1 1
6 2344 1 1 5 LYS O O 2.594 -6.162 -3.232 1.00 . A A . 5 LYS O 1 1
6 2345 1 1 6 B3E C C 2.814 -5.989 0.980 1.00 . A A . 6 B3E C 1 1
6 2346 1 1 6 B3E CA C 4.109 -6.405 0.324 1.00 . A A . 6 B3E CA 1 1
6 2347 1 1 6 B3E CB C 3.897 -7.125 -1.005 1.00 . A A . 6 B3E CB 1 1
6 2348 1 1 6 B3E CD C 4.530 -9.299 -2.195 1.00 . A A . 6 B3E CD 1 1
6 2349 1 1 6 B3E CE C 5.266 -10.617 -2.085 1.00 . A A . 6 B3E CE 1 1
6 2350 1 1 6 B3E CG C 4.525 -8.518 -0.889 1.00 . A A . 6 B3E CG 1 1
6 2351 1 1 6 B3E H H 5.479 -6.193 -2.051 1.00 . A A . 6 B3E H 1 1
6 2352 1 1 6 B3E HA1 H 4.635 -7.064 0.998 1.00 . A A . 6 B3E HA1 1 1
6 2353 1 1 6 B3E HA2 H 4.702 -5.522 0.157 1.00 . A A . 6 B3E HA2 1 1
6 2354 1 1 6 B3E HB H 2.827 -7.187 -1.221 1.00 . A A . 6 B3E HB 1 1
6 2355 1 1 6 B3E HD2 H 5.006 -8.700 -2.956 1.00 . A A . 6 B3E HD2 1 1
6 2356 1 1 6 B3E HD3 H 3.509 -9.499 -2.484 1.00 . A A . 6 B3E HD3 1 1
6 2357 1 1 6 B3E HG2 H 3.974 -9.089 -0.158 1.00 . A A . 6 B3E HG2 1 1
6 2358 1 1 6 B3E HG3 H 5.545 -8.414 -0.555 1.00 . A A . 6 B3E HG3 1 1
6 2359 1 1 6 B3E N N 4.516 -6.396 -2.093 1.00 . A A . 6 B3E N 1 1
6 2360 1 1 6 B3E O O 2.044 -6.821 1.466 1.00 . A A . 6 B3E O 1 1
6 2361 1 1 6 B3E OF1 O 4.601 -11.667 -1.947 1.00 . A A . 6 B3E OF1 1 1
6 2362 1 1 6 B3E OF2 O 6.516 -10.613 -2.146 1.00 . A A . 6 B3E OF2 1 1
6 2363 1 1 7 LEU C C 0.205 -4.277 0.626 1.00 . A A . 7 LEU C 1 1
6 2364 1 1 7 LEU CA C 1.366 -4.142 1.591 1.00 . A A . 7 LEU CA 1 1
6 2365 1 1 7 LEU CB C 1.560 -2.675 1.984 1.00 . A A . 7 LEU CB 1 1
6 2366 1 1 7 LEU CD1 C 2.796 -0.928 3.291 1.00 . A A . 7 LEU CD1 1 1
6 2367 1 1 7 LEU CD2 C 2.316 -3.144 4.334 1.00 . A A . 7 LEU CD2 1 1
6 2368 1 1 7 LEU CG C 2.641 -2.418 3.038 1.00 . A A . 7 LEU CG 1 1
6 2369 1 1 7 LEU H H 3.224 -4.070 0.591 1.00 . A A . 7 LEU H 1 1
6 2370 1 1 7 LEU HA H 1.145 -4.718 2.474 1.00 . A A . 7 LEU HA 1 1
6 2371 1 1 7 LEU HB2 H 1.815 -2.117 1.095 1.00 . A A . 7 LEU HB2 1 1
6 2372 1 1 7 LEU HB3 H 0.624 -2.301 2.366 1.00 . A A . 7 LEU HB3 1 1
6 2373 1 1 7 LEU HD11 H 3.552 -0.767 4.044 1.00 . A A . 7 LEU HD11 1 1
6 2374 1 1 7 LEU HD12 H 1.855 -0.520 3.631 1.00 . A A . 7 LEU HD12 1 1
6 2375 1 1 7 LEU HD13 H 3.091 -0.437 2.374 1.00 . A A . 7 LEU HD13 1 1
6 2376 1 1 7 LEU HD21 H 1.341 -2.842 4.682 1.00 . A A . 7 LEU HD21 1 1
6 2377 1 1 7 LEU HD22 H 3.057 -2.896 5.079 1.00 . A A . 7 LEU HD22 1 1
6 2378 1 1 7 LEU HD23 H 2.324 -4.210 4.163 1.00 . A A . 7 LEU HD23 1 1
6 2379 1 1 7 LEU HG H 3.583 -2.792 2.673 1.00 . A A . 7 LEU HG 1 1
6 2380 1 1 7 LEU N N 2.574 -4.683 0.997 1.00 . A A . 7 LEU N 1 1
6 2381 1 1 7 LEU O O -0.879 -4.706 1.021 1.00 . A A . 7 LEU O 1 1
6 2382 1 1 8 LYS C C -1.244 -5.368 -1.640 1.00 . A A . 8 LYS C 1 1
6 2383 1 1 8 LYS CA C -0.565 -4.013 -1.679 1.00 . A A . 8 LYS CA 1 1
6 2384 1 1 8 LYS CB C 0.048 -3.762 -3.057 1.00 . A A . 8 LYS CB 1 1
6 2385 1 1 8 LYS CD C -0.331 -3.459 -5.520 1.00 . A A . 8 LYS CD 1 1
6 2386 1 1 8 LYS CE C -1.345 -3.503 -6.647 1.00 . A A . 8 LYS CE 1 1
6 2387 1 1 8 LYS CG C -0.958 -3.842 -4.194 1.00 . A A . 8 LYS CG 1 1
6 2388 1 1 8 LYS H H 1.349 -3.618 -0.881 1.00 . A A . 8 LYS H 1 1
6 2389 1 1 8 LYS HA H -1.299 -3.251 -1.476 1.00 . A A . 8 LYS HA 1 1
6 2390 1 1 8 LYS HB2 H 0.496 -2.780 -3.068 1.00 . A A . 8 LYS HB2 1 1
6 2391 1 1 8 LYS HB3 H 0.816 -4.500 -3.235 1.00 . A A . 8 LYS HB3 1 1
6 2392 1 1 8 LYS HD2 H 0.065 -2.458 -5.444 1.00 . A A . 8 LYS HD2 1 1
6 2393 1 1 8 LYS HD3 H 0.470 -4.150 -5.740 1.00 . A A . 8 LYS HD3 1 1
6 2394 1 1 8 LYS HE2 H -1.696 -4.518 -6.759 1.00 . A A . 8 LYS HE2 1 1
6 2395 1 1 8 LYS HE3 H -2.176 -2.862 -6.394 1.00 . A A . 8 LYS HE3 1 1
6 2396 1 1 8 LYS HG2 H -1.328 -4.853 -4.262 1.00 . A A . 8 LYS HG2 1 1
6 2397 1 1 8 LYS HG3 H -1.776 -3.171 -3.984 1.00 . A A . 8 LYS HG3 1 1
6 2398 1 1 8 LYS HZ1 H -1.471 -3.117 -8.692 1.00 . A A . 8 LYS HZ1 1 1
6 2399 1 1 8 LYS HZ2 H 0.051 -3.648 -8.188 1.00 . A A . 8 LYS HZ2 1 1
6 2400 1 1 8 LYS HZ3 H -0.442 -2.067 -7.859 1.00 . A A . 8 LYS HZ3 1 1
6 2401 1 1 8 LYS N N 0.455 -3.932 -0.641 1.00 . A A . 8 LYS N 1 1
6 2402 1 1 8 LYS NZ N -0.762 -3.051 -7.935 1.00 . A A . 8 LYS NZ 1 1
6 2403 1 1 8 LYS O O -2.419 -5.471 -1.295 1.00 . A A . 8 LYS O 1 1
6 2404 1 1 9 B3K C C -1.437 -8.867 0.289 1.00 . A A . 9 B3K C 1 1
6 2405 1 1 9 B3K CA C -0.435 -8.545 -0.791 1.00 . A A . 9 B3K CA 1 1
6 2406 1 1 9 B3K CB C -1.061 -7.739 -1.924 1.00 . A A . 9 B3K CB 1 1
6 2407 1 1 9 B3K CD C 0.647 -8.550 -3.657 1.00 . A A . 9 B3K CD 1 1
6 2408 1 1 9 B3K CE C 0.815 -9.231 -5.007 1.00 . A A . 9 B3K CE 1 1
6 2409 1 1 9 B3K CF C 0.079 -8.481 -6.107 1.00 . A A . 9 B3K CF 1 1
6 2410 1 1 9 B3K CG C -0.817 -8.471 -3.249 1.00 . A A . 9 B3K CG 1 1
6 2411 1 1 9 B3K H H 0.430 -6.281 -2.247 1.00 . A A . 9 B3K H 1 1
6 2412 1 1 9 B3K HA1 H -0.051 -9.472 -1.190 1.00 . A A . 9 B3K HA1 1 1
6 2413 1 1 9 B3K HA2 H 0.375 -7.979 -0.351 1.00 . A A . 9 B3K HA2 1 1
6 2414 1 1 9 B3K HB H -2.135 -7.616 -1.726 1.00 . A A . 9 B3K HB 1 1
6 2415 1 1 9 B3K HD2 H 1.189 -9.112 -2.910 1.00 . A A . 9 B3K HD2 1 1
6 2416 1 1 9 B3K HD3 H 1.049 -7.549 -3.717 1.00 . A A . 9 B3K HD3 1 1
6 2417 1 1 9 B3K HE2 H 0.425 -10.236 -4.942 1.00 . A A . 9 B3K HE2 1 1
6 2418 1 1 9 B3K HE3 H 1.867 -9.267 -5.252 1.00 . A A . 9 B3K HE3 1 1
6 2419 1 1 9 B3K HF1 H 0.477 -7.480 -6.174 1.00 . A A . 9 B3K HF1 1 1
6 2420 1 1 9 B3K HF2 H -0.969 -8.435 -5.855 1.00 . A A . 9 B3K HF2 1 1
6 2421 1 1 9 B3K HG2 H -1.358 -7.958 -4.029 1.00 . A A . 9 B3K HG2 1 1
6 2422 1 1 9 B3K HG3 H -1.197 -9.477 -3.165 1.00 . A A . 9 B3K HG3 1 1
6 2423 1 1 9 B3K HNZ1 H -0.314 -8.630 -8.149 1.00 . A A . 9 B3K HNZ1 1 1
6 2424 1 1 9 B3K HNZ2 H -0.134 -10.122 -7.376 1.00 . A A . 9 B3K HNZ2 1 1
6 2425 1 1 9 B3K N N -0.504 -6.412 -1.970 1.00 . A A . 9 B3K N 1 1
6 2426 1 1 9 B3K NZ N 0.225 -9.148 -7.426 1.00 . A A . 9 B3K NZ 1 1
6 2427 1 1 9 B3K O O -2.183 -9.841 0.196 1.00 . A A . 9 B3K O 1 1
6 2428 1 1 10 ARG C C -3.693 -7.447 2.146 1.00 . A A . 10 ARG C 1 1
6 2429 1 1 10 ARG CA C -2.398 -8.202 2.419 1.00 . A A . 10 ARG CA 1 1
6 2430 1 1 10 ARG CB C -1.792 -7.708 3.736 1.00 . A A . 10 ARG CB 1 1
6 2431 1 1 10 ARG CD C -0.019 -8.025 5.496 1.00 . A A . 10 ARG CD 1 1
6 2432 1 1 10 ARG CG C -0.431 -8.304 4.057 1.00 . A A . 10 ARG CG 1 1
6 2433 1 1 10 ARG CZ C 0.750 -5.910 6.529 1.00 . A A . 10 ARG CZ 1 1
6 2434 1 1 10 ARG H H -0.837 -7.272 1.335 1.00 . A A . 10 ARG H 1 1
6 2435 1 1 10 ARG HA H -2.618 -9.254 2.504 1.00 . A A . 10 ARG HA 1 1
6 2436 1 1 10 ARG HB2 H -1.685 -6.635 3.687 1.00 . A A . 10 ARG HB2 1 1
6 2437 1 1 10 ARG HB3 H -2.467 -7.954 4.539 1.00 . A A . 10 ARG HB3 1 1
6 2438 1 1 10 ARG HD2 H -0.631 -8.625 6.152 1.00 . A A . 10 ARG HD2 1 1
6 2439 1 1 10 ARG HD3 H 1.017 -8.307 5.618 1.00 . A A . 10 ARG HD3 1 1
6 2440 1 1 10 ARG HE H -1.022 -6.175 5.627 1.00 . A A . 10 ARG HE 1 1
6 2441 1 1 10 ARG HG2 H -0.472 -9.373 3.908 1.00 . A A . 10 ARG HG2 1 1
6 2442 1 1 10 ARG HG3 H 0.305 -7.875 3.394 1.00 . A A . 10 ARG HG3 1 1
6 2443 1 1 10 ARG HH11 H 2.604 -5.938 7.345 1.00 . A A . 10 ARG HH11 1 1
6 2444 1 1 10 ARG HH12 H 2.105 -7.417 6.592 1.00 . A A . 10 ARG HH12 1 1
6 2445 1 1 10 ARG HH21 H 1.207 -4.123 7.379 1.00 . A A . 10 ARG HH21 1 1
6 2446 1 1 10 ARG HH22 H -0.371 -4.216 6.656 1.00 . A A . 10 ARG HH22 1 1
6 2447 1 1 10 ARG N N -1.462 -8.028 1.318 1.00 . A A . 10 ARG N 1 1
6 2448 1 1 10 ARG NE N -0.171 -6.612 5.864 1.00 . A A . 10 ARG NE 1 1
6 2449 1 1 10 ARG NH1 N 1.913 -6.466 6.846 1.00 . A A . 10 ARG NH1 1 1
6 2450 1 1 10 ARG NH2 N 0.510 -4.649 6.879 1.00 . A A . 10 ARG NH2 1 1
6 2451 1 1 10 ARG O O -4.781 -7.929 2.452 1.00 . A A . 10 ARG O 1 1
6 2452 1 1 11 TYR C C -5.305 -5.591 -0.059 1.00 . A A . 11 TYR C 1 1
6 2453 1 1 11 TYR CA C -4.713 -5.395 1.333 1.00 . A A . 11 TYR CA 1 1
6 2454 1 1 11 TYR CB C -4.293 -3.935 1.525 1.00 . A A . 11 TYR CB 1 1
6 2455 1 1 11 TYR CD1 C -4.218 -4.065 4.048 1.00 . A A . 11 TYR CD1 1 1
6 2456 1 1 11 TYR CD2 C -2.412 -2.993 2.924 1.00 . A A . 11 TYR CD2 1 1
6 2457 1 1 11 TYR CE1 C -3.614 -3.814 5.265 1.00 . A A . 11 TYR CE1 1 1
6 2458 1 1 11 TYR CE2 C -1.803 -2.738 4.134 1.00 . A A . 11 TYR CE2 1 1
6 2459 1 1 11 TYR CG C -3.629 -3.661 2.858 1.00 . A A . 11 TYR CG 1 1
6 2460 1 1 11 TYR CZ C -2.406 -3.150 5.302 1.00 . A A . 11 TYR CZ 1 1
6 2461 1 1 11 TYR H H -2.688 -5.987 1.222 1.00 . A A . 11 TYR H 1 1
6 2462 1 1 11 TYR HA H -5.463 -5.645 2.068 1.00 . A A . 11 TYR HA 1 1
6 2463 1 1 11 TYR HB2 H -3.597 -3.664 0.745 1.00 . A A . 11 TYR HB2 1 1
6 2464 1 1 11 TYR HB3 H -5.167 -3.308 1.454 1.00 . A A . 11 TYR HB3 1 1
6 2465 1 1 11 TYR HD1 H -5.163 -4.585 4.015 1.00 . A A . 11 TYR HD1 1 1
6 2466 1 1 11 TYR HD2 H -1.939 -2.672 2.007 1.00 . A A . 11 TYR HD2 1 1
6 2467 1 1 11 TYR HE1 H -4.086 -4.136 6.179 1.00 . A A . 11 TYR HE1 1 1
6 2468 1 1 11 TYR HE2 H -0.860 -2.216 4.164 1.00 . A A . 11 TYR HE2 1 1
6 2469 1 1 11 TYR HH H -1.572 -1.963 6.569 1.00 . A A . 11 TYR HH 1 1
6 2470 1 1 11 TYR N N -3.569 -6.272 1.544 1.00 . A A . 11 TYR N 1 1
6 2471 1 1 11 TYR O O -5.867 -4.664 -0.640 1.00 . A A . 11 TYR O 1 1
6 2472 1 1 11 TYR OH O -1.795 -2.903 6.510 1.00 . A A . 11 TYR OH 1 1
6 2473 1 1 12 ABA C C -7.166 -6.793 -2.054 1.00 . A A . 12 AIB C 1 1
6 2474 1 1 12 ABA CA C -5.690 -7.183 -1.900 1.00 . A A . 12 AIB CA 1 1
6 2475 1 1 12 ABA H H -4.759 -7.505 -0.020 1.00 . A A . 12 AIB H 1 1
6 2476 1 1 12 ABA N N -5.195 -6.819 -0.564 1.00 . A A . 12 AIB N 1 1
6 2477 1 1 12 ABA O O -7.600 -6.370 -3.128 1.00 . A A . 12 AIB O 1 1
6 2478 1 1 13 GLY C C -9.665 -5.198 -0.620 1.00 . A A . 13 GLY C 1 1
6 2479 1 1 13 GLY CA C -9.347 -6.622 -1.033 1.00 . A A . 13 GLY CA 1 1
6 2480 1 1 13 GLY H H -7.531 -7.238 -0.141 1.00 . A A . 13 GLY H 1 1
6 2481 1 1 13 GLY HA2 H -9.696 -6.778 -2.042 1.00 . A A . 13 GLY HA2 1 1
6 2482 1 1 13 GLY HA3 H -9.870 -7.299 -0.377 1.00 . A A . 13 GLY HA3 1 1
6 2483 1 1 13 GLY N N -7.930 -6.926 -0.979 1.00 . A A . 13 GLY N 1 1
6 2484 1 1 13 GLY O O -10.794 -4.894 -0.232 1.00 . A A . 13 GLY O 1 1
6 2485 1 1 14 CYS C C -8.203 -2.048 -1.412 1.00 . A A . 14 CYS C 1 1
6 2486 1 1 14 CYS CA C -8.853 -2.923 -0.346 1.00 . A A . 14 CYS CA 1 1
6 2487 1 1 14 CYS CB C -8.219 -2.647 1.020 1.00 . A A . 14 CYS CB 1 1
6 2488 1 1 14 CYS H H -7.787 -4.630 -0.986 1.00 . A A . 14 CYS H 1 1
6 2489 1 1 14 CYS HA H -9.912 -2.713 -0.305 1.00 . A A . 14 CYS HA 1 1
6 2490 1 1 14 CYS HB2 H -7.146 -2.712 0.926 1.00 . A A . 14 CYS HB2 1 1
6 2491 1 1 14 CYS HB3 H -8.486 -1.650 1.339 1.00 . A A . 14 CYS HB3 1 1
6 2492 1 1 14 CYS N N -8.674 -4.324 -0.693 1.00 . A A . 14 CYS N 1 1
6 2493 1 1 14 CYS O O -7.493 -2.554 -2.284 1.00 . A A . 14 CYS O 1 1
6 2494 1 1 14 CYS SG S -8.735 -3.811 2.333 1.00 . A A . 14 CYS SG 1 1
6 2495 1 1 15 GLU C C -6.432 0.544 -1.745 1.00 . A A . 15 GLU C 1 1
6 2496 1 1 15 GLU CA C -7.807 0.178 -2.281 1.00 . A A . 15 GLU CA 1 1
6 2497 1 1 15 GLU CB C -8.634 1.452 -2.473 1.00 . A A . 15 GLU CB 1 1
6 2498 1 1 15 GLU CD C -10.711 2.508 -3.423 1.00 . A A . 15 GLU CD 1 1
6 2499 1 1 15 GLU CG C -10.033 1.218 -3.012 1.00 . A A . 15 GLU CG 1 1
6 2500 1 1 15 GLU H H -9.066 -0.394 -0.678 1.00 . A A . 15 GLU H 1 1
6 2501 1 1 15 GLU HA H -7.695 -0.322 -3.232 1.00 . A A . 15 GLU HA 1 1
6 2502 1 1 15 GLU HB2 H -8.723 1.952 -1.520 1.00 . A A . 15 GLU HB2 1 1
6 2503 1 1 15 GLU HB3 H -8.112 2.103 -3.159 1.00 . A A . 15 GLU HB3 1 1
6 2504 1 1 15 GLU HG2 H -9.972 0.569 -3.872 1.00 . A A . 15 GLU HG2 1 1
6 2505 1 1 15 GLU HG3 H -10.625 0.746 -2.245 1.00 . A A . 15 GLU HG3 1 1
6 2506 1 1 15 GLU N N -8.451 -0.746 -1.360 1.00 . A A . 15 GLU N 1 1
6 2507 1 1 15 GLU O O -6.298 0.868 -0.566 1.00 . A A . 15 GLU O 1 1
6 2508 1 1 15 GLU OE1 O -10.850 3.414 -2.573 1.00 . A A . 15 GLU OE1 1 1
6 2509 1 1 15 GLU OE2 O -11.107 2.627 -4.601 1.00 . A A . 15 GLU OE2 1 1
6 2510 1 1 16 MVA C C -3.183 1.580 -3.092 1.00 . A A . 16 MVA C 1 1
6 2511 1 1 16 MVA CA C -4.032 0.783 -2.095 1.00 . A A . 16 MVA CA 1 1
6 2512 1 1 16 MVA CB C -3.299 -0.524 -1.677 1.00 . A A . 16 MVA CB 1 1
6 2513 1 1 16 MVA CG1 C -3.261 -1.549 -2.801 1.00 . A A . 16 MVA CG1 1 1
6 2514 1 1 16 MVA CG2 C -1.890 -0.214 -1.184 1.00 . A A . 16 MVA CG2 1 1
6 2515 1 1 16 MVA CN C -5.637 0.266 -4.030 1.00 . A A . 16 MVA CN 1 1
6 2516 1 1 16 MVA HA H -4.104 1.390 -1.202 1.00 . A A . 16 MVA HA 1 1
6 2517 1 1 16 MVA HB H -3.846 -0.962 -0.854 1.00 . A A . 16 MVA HB 1 1
6 2518 1 1 16 MVA HG11 H -2.806 -2.459 -2.443 1.00 . A A . 16 MVA HG11 1 1
6 2519 1 1 16 MVA HG12 H -2.684 -1.157 -3.625 1.00 . A A . 16 MVA HG12 1 1
6 2520 1 1 16 MVA HG13 H -4.268 -1.756 -3.133 1.00 . A A . 16 MVA HG13 1 1
6 2521 1 1 16 MVA HG21 H -1.326 0.251 -1.980 1.00 . A A . 16 MVA HG21 1 1
6 2522 1 1 16 MVA HG22 H -1.402 -1.130 -0.885 1.00 . A A . 16 MVA HG22 1 1
6 2523 1 1 16 MVA HG23 H -1.942 0.460 -0.341 1.00 . A A . 16 MVA HG23 1 1
6 2524 1 1 16 MVA HN1 H -4.740 0.485 -4.589 1.00 . A A . 16 MVA HN1 1 1
6 2525 1 1 16 MVA HN2 H -6.440 0.898 -4.376 1.00 . A A . 16 MVA HN2 1 1
6 2526 1 1 16 MVA HN3 H -5.905 -0.770 -4.175 1.00 . A A . 16 MVA HN3 1 1
6 2527 1 1 16 MVA N N -5.394 0.519 -2.588 1.00 . A A . 16 MVA N 1 1
6 2528 1 1 16 MVA O O -2.826 1.114 -4.179 1.00 . A A . 16 MVA O 1 1
6 2529 1 1 17 ARG C C -0.820 4.104 -2.841 1.00 . A A . 17 ARG C 1 1
6 2530 1 1 17 ARG CA C -2.129 3.731 -3.519 1.00 . A A . 17 ARG CA 1 1
6 2531 1 1 17 ARG CB C -2.979 4.979 -3.757 1.00 . A A . 17 ARG CB 1 1
6 2532 1 1 17 ARG CD C -5.293 5.796 -4.344 1.00 . A A . 17 ARG CD 1 1
6 2533 1 1 17 ARG CG C -4.244 4.710 -4.558 1.00 . A A . 17 ARG CG 1 1
6 2534 1 1 17 ARG CZ C -5.495 8.200 -4.873 1.00 . A A . 17 ARG CZ 1 1
6 2535 1 1 17 ARG H H -3.111 3.069 -1.777 1.00 . A A . 17 ARG H 1 1
6 2536 1 1 17 ARG HA H -1.919 3.253 -4.462 1.00 . A A . 17 ARG HA 1 1
6 2537 1 1 17 ARG HB2 H -3.262 5.394 -2.802 1.00 . A A . 17 ARG HB2 1 1
6 2538 1 1 17 ARG HB3 H -2.387 5.703 -4.292 1.00 . A A . 17 ARG HB3 1 1
6 2539 1 1 17 ARG HD2 H -6.103 5.637 -5.040 1.00 . A A . 17 ARG HD2 1 1
6 2540 1 1 17 ARG HD3 H -5.671 5.718 -3.334 1.00 . A A . 17 ARG HD3 1 1
6 2541 1 1 17 ARG HE H -3.788 7.265 -4.409 1.00 . A A . 17 ARG HE 1 1
6 2542 1 1 17 ARG HG2 H -3.992 4.670 -5.607 1.00 . A A . 17 ARG HG2 1 1
6 2543 1 1 17 ARG HG3 H -4.656 3.759 -4.251 1.00 . A A . 17 ARG HG3 1 1
6 2544 1 1 17 ARG HH11 H -7.239 7.169 -5.008 1.00 . A A . 17 ARG HH11 1 1
6 2545 1 1 17 ARG HH12 H -7.355 8.867 -5.332 1.00 . A A . 17 ARG HH12 1 1
6 2546 1 1 17 ARG HH21 H -5.473 10.195 -5.234 1.00 . A A . 17 ARG HH21 1 1
6 2547 1 1 17 ARG HH22 H -3.938 9.499 -4.822 1.00 . A A . 17 ARG HH22 1 1
6 2548 1 1 17 ARG N N -2.863 2.796 -2.687 1.00 . A A . 17 ARG N 1 1
6 2549 1 1 17 ARG NE N -4.755 7.141 -4.545 1.00 . A A . 17 ARG NE 1 1
6 2550 1 1 17 ARG NH1 N -6.801 8.068 -5.089 1.00 . A A . 17 ARG NH1 1 1
6 2551 1 1 17 ARG NH2 N -4.924 9.392 -4.988 1.00 . A A . 17 ARG NH2 1 1
6 2552 1 1 17 ARG O O -0.805 4.849 -1.863 1.00 . A A . 17 ARG O 1 1
6 2553 1 1 18 CYS C C 2.329 4.899 -3.456 1.00 . A A . 18 CYS C 1 1
6 2554 1 1 18 CYS CA C 1.567 3.791 -2.733 1.00 . A A . 18 CYS CA 1 1
6 2555 1 1 18 CYS CB C 2.379 2.497 -2.725 1.00 . A A . 18 CYS CB 1 1
6 2556 1 1 18 CYS H H 0.208 3.014 -4.151 1.00 . A A . 18 CYS H 1 1
6 2557 1 1 18 CYS HA H 1.395 4.098 -1.713 1.00 . A A . 18 CYS HA 1 1
6 2558 1 1 18 CYS HB2 H 3.317 2.674 -2.223 1.00 . A A . 18 CYS HB2 1 1
6 2559 1 1 18 CYS HB3 H 1.824 1.746 -2.182 1.00 . A A . 18 CYS HB3 1 1
6 2560 1 1 18 CYS N N 0.272 3.568 -3.344 1.00 . A A . 18 CYS N 1 1
6 2561 1 1 18 CYS O O 2.421 4.910 -4.685 1.00 . A A . 18 CYS O 1 1
6 2562 1 1 18 CYS SG S 2.756 1.819 -4.374 1.00 . A A . 18 CYS SG 1 1
6 2563 1 1 19 ASP C C 4.990 6.986 -2.534 1.00 . A A . 19 ASP C 1 1
6 2564 1 1 19 ASP CA C 3.633 6.940 -3.221 1.00 . A A . 19 ASP CA 1 1
6 2565 1 1 19 ASP CB C 2.899 8.273 -3.027 1.00 . A A . 19 ASP CB 1 1
6 2566 1 1 19 ASP CG C 1.744 8.461 -3.993 1.00 . A A . 19 ASP CG 1 1
6 2567 1 1 19 ASP H H 2.735 5.773 -1.710 1.00 . A A . 19 ASP H 1 1
6 2568 1 1 19 ASP HA H 3.777 6.765 -4.276 1.00 . A A . 19 ASP HA 1 1
6 2569 1 1 19 ASP HB2 H 2.508 8.314 -2.021 1.00 . A A . 19 ASP HB2 1 1
6 2570 1 1 19 ASP HB3 H 3.598 9.083 -3.168 1.00 . A A . 19 ASP HB3 1 1
6 2571 1 1 19 ASP N N 2.855 5.835 -2.685 1.00 . A A . 19 ASP N 1 1
6 2572 1 1 19 ASP O O 5.173 7.707 -1.548 1.00 . A A . 19 ASP O 1 1
6 2573 1 1 19 ASP OD1 O 0.596 8.101 -3.647 1.00 . A A . 19 ASP OD1 1 1
6 2574 1 1 19 ASP OD2 O 1.977 8.977 -5.107 1.00 . A A . 19 ASP OD2 1 1
6 2575 1 1 20 DPR C C 7.181 5.484 -1.011 1.00 . A A . 20 DPR C 1 1
6 2576 1 1 20 DPR CA C 7.278 6.085 -2.413 1.00 . A A . 20 DPR CA 1 1
6 2577 1 1 20 DPR CB C 8.052 5.151 -3.348 1.00 . A A . 20 DPR CB 1 1
6 2578 1 1 20 DPR CD C 5.856 5.389 -4.255 1.00 . A A . 20 DPR CD 1 1
6 2579 1 1 20 DPR CG C 7.291 5.157 -4.628 1.00 . A A . 20 DPR CG 1 1
6 2580 1 1 20 DPR HA H 7.782 7.035 -2.364 1.00 . A A . 20 DPR HA 1 1
6 2581 1 1 20 DPR HB2 H 8.089 4.162 -2.919 1.00 . A A . 20 DPR HB2 1 1
6 2582 1 1 20 DPR HB3 H 9.054 5.527 -3.484 1.00 . A A . 20 DPR HB3 1 1
6 2583 1 1 20 DPR HD2 H 5.361 4.452 -4.050 1.00 . A A . 20 DPR HD2 1 1
6 2584 1 1 20 DPR HD3 H 5.346 5.925 -5.039 1.00 . A A . 20 DPR HD3 1 1
6 2585 1 1 20 DPR HG2 H 7.399 4.205 -5.125 1.00 . A A . 20 DPR HG2 1 1
6 2586 1 1 20 DPR HG3 H 7.648 5.956 -5.263 1.00 . A A . 20 DPR HG3 1 1
6 2587 1 1 20 DPR N N 5.959 6.207 -3.036 1.00 . A A . 20 DPR N 1 1
6 2588 1 1 20 DPR O O 6.686 4.369 -0.835 1.00 . A A . 20 DPR O 1 1
6 2589 1 1 21 PRO C C 6.183 5.886 1.996 1.00 . A A . 21 PRO C 1 1
6 2590 1 1 21 PRO CA C 7.585 5.781 1.400 1.00 . A A . 21 PRO CA 1 1
6 2591 1 1 21 PRO CB C 8.533 6.744 2.109 1.00 . A A . 21 PRO CB 1 1
6 2592 1 1 21 PRO CD C 8.266 7.554 -0.126 1.00 . A A . 21 PRO CD 1 1
6 2593 1 1 21 PRO CG C 8.474 7.991 1.299 1.00 . A A . 21 PRO CG 1 1
6 2594 1 1 21 PRO HA H 7.947 4.770 1.505 1.00 . A A . 21 PRO HA 1 1
6 2595 1 1 21 PRO HB2 H 8.190 6.911 3.120 1.00 . A A . 21 PRO HB2 1 1
6 2596 1 1 21 PRO HB3 H 9.530 6.331 2.125 1.00 . A A . 21 PRO HB3 1 1
6 2597 1 1 21 PRO HD2 H 7.609 8.240 -0.639 1.00 . A A . 21 PRO HD2 1 1
6 2598 1 1 21 PRO HD3 H 9.213 7.481 -0.640 1.00 . A A . 21 PRO HD3 1 1
6 2599 1 1 21 PRO HG2 H 7.646 8.602 1.626 1.00 . A A . 21 PRO HG2 1 1
6 2600 1 1 21 PRO HG3 H 9.402 8.534 1.392 1.00 . A A . 21 PRO HG3 1 1
6 2601 1 1 21 PRO N N 7.639 6.227 0.007 1.00 . A A . 21 PRO N 1 1
6 2602 1 1 21 PRO O O 5.946 5.465 3.127 1.00 . A A . 21 PRO O 1 1
6 2603 1 1 22 ARG C C 2.973 5.619 1.097 1.00 . A A . 22 ARG C 1 1
6 2604 1 1 22 ARG CA C 3.900 6.651 1.708 1.00 . A A . 22 ARG CA 1 1
6 2605 1 1 22 ARG CB C 3.422 8.060 1.368 1.00 . A A . 22 ARG CB 1 1
6 2606 1 1 22 ARG CD C 4.413 9.055 3.454 1.00 . A A . 22 ARG CD 1 1
6 2607 1 1 22 ARG CG C 4.310 9.149 1.941 1.00 . A A . 22 ARG CG 1 1
6 2608 1 1 22 ARG CZ C 5.738 10.060 5.276 1.00 . A A . 22 ARG CZ 1 1
6 2609 1 1 22 ARG H H 5.494 6.728 0.321 1.00 . A A . 22 ARG H 1 1
6 2610 1 1 22 ARG HA H 3.902 6.526 2.780 1.00 . A A . 22 ARG HA 1 1
6 2611 1 1 22 ARG HB2 H 3.400 8.171 0.294 1.00 . A A . 22 ARG HB2 1 1
6 2612 1 1 22 ARG HB3 H 2.424 8.196 1.756 1.00 . A A . 22 ARG HB3 1 1
6 2613 1 1 22 ARG HD2 H 3.444 9.261 3.883 1.00 . A A . 22 ARG HD2 1 1
6 2614 1 1 22 ARG HD3 H 4.719 8.054 3.722 1.00 . A A . 22 ARG HD3 1 1
6 2615 1 1 22 ARG HE H 5.802 10.631 3.354 1.00 . A A . 22 ARG HE 1 1
6 2616 1 1 22 ARG HG2 H 5.298 9.049 1.519 1.00 . A A . 22 ARG HG2 1 1
6 2617 1 1 22 ARG HG3 H 3.898 10.110 1.676 1.00 . A A . 22 ARG HG3 1 1
6 2618 1 1 22 ARG HH11 H 5.439 9.289 7.126 1.00 . A A . 22 ARG HH11 1 1
6 2619 1 1 22 ARG HH12 H 4.464 8.602 5.871 1.00 . A A . 22 ARG HH12 1 1
6 2620 1 1 22 ARG HH21 H 6.925 10.980 6.637 1.00 . A A . 22 ARG HH21 1 1
6 2621 1 1 22 ARG HH22 H 7.075 11.560 5.009 1.00 . A A . 22 ARG HH22 1 1
6 2622 1 1 22 ARG N N 5.259 6.452 1.233 1.00 . A A . 22 ARG N 1 1
6 2623 1 1 22 ARG NE N 5.382 10.006 3.993 1.00 . A A . 22 ARG NE 1 1
6 2624 1 1 22 ARG NH1 N 5.171 9.251 6.161 1.00 . A A . 22 ARG NH1 1 1
6 2625 1 1 22 ARG NH2 N 6.653 10.935 5.673 1.00 . A A . 22 ARG NH2 1 1
6 2626 1 1 22 ARG O O 3.064 5.320 -0.090 1.00 . A A . 22 ARG O 1 1
6 2627 1 1 23 TYR C C -0.240 4.326 1.856 1.00 . A A . 23 TYR C 1 1
6 2628 1 1 23 TYR CA C 1.190 4.028 1.446 1.00 . A A . 23 TYR CA 1 1
6 2629 1 1 23 TYR CB C 1.616 2.671 2.007 1.00 . A A . 23 TYR CB 1 1
6 2630 1 1 23 TYR CD1 C 4.074 2.586 2.563 1.00 . A A . 23 TYR CD1 1 1
6 2631 1 1 23 TYR CD2 C 3.360 1.686 0.477 1.00 . A A . 23 TYR CD2 1 1
6 2632 1 1 23 TYR CE1 C 5.380 2.259 2.262 1.00 . A A . 23 TYR CE1 1 1
6 2633 1 1 23 TYR CE2 C 4.662 1.354 0.168 1.00 . A A . 23 TYR CE2 1 1
6 2634 1 1 23 TYR CG C 3.043 2.305 1.677 1.00 . A A . 23 TYR CG 1 1
6 2635 1 1 23 TYR CZ C 5.668 1.644 1.063 1.00 . A A . 23 TYR CZ 1 1
6 2636 1 1 23 TYR H H 2.039 5.372 2.840 1.00 . A A . 23 TYR H 1 1
6 2637 1 1 23 TYR HA H 1.245 3.992 0.368 1.00 . A A . 23 TYR HA 1 1
6 2638 1 1 23 TYR HB2 H 1.517 2.687 3.082 1.00 . A A . 23 TYR HB2 1 1
6 2639 1 1 23 TYR HB3 H 0.973 1.905 1.600 1.00 . A A . 23 TYR HB3 1 1
6 2640 1 1 23 TYR HD1 H 3.845 3.068 3.501 1.00 . A A . 23 TYR HD1 1 1
6 2641 1 1 23 TYR HD2 H 2.568 1.463 -0.221 1.00 . A A . 23 TYR HD2 1 1
6 2642 1 1 23 TYR HE1 H 6.166 2.485 2.964 1.00 . A A . 23 TYR HE1 1 1
6 2643 1 1 23 TYR HE2 H 4.887 0.873 -0.771 1.00 . A A . 23 TYR HE2 1 1
6 2644 1 1 23 TYR HH H 7.398 0.966 1.549 1.00 . A A . 23 TYR HH 1 1
6 2645 1 1 23 TYR N N 2.089 5.071 1.907 1.00 . A A . 23 TYR N 1 1
6 2646 1 1 23 TYR O O -0.563 4.340 3.044 1.00 . A A . 23 TYR O 1 1
6 2647 1 1 23 TYR OH O 6.969 1.316 0.759 1.00 . A A . 23 TYR OH 1 1
6 2648 1 1 24 GLU C C -3.236 3.461 1.054 1.00 . A A . 24 GLU C 1 1
6 2649 1 1 24 GLU CA C -2.497 4.786 1.138 1.00 . A A . 24 GLU CA 1 1
6 2650 1 1 24 GLU CB C -3.116 5.763 0.140 1.00 . A A . 24 GLU CB 1 1
6 2651 1 1 24 GLU CD C -3.524 8.142 -0.534 1.00 . A A . 24 GLU CD 1 1
6 2652 1 1 24 GLU CG C -2.736 7.213 0.361 1.00 . A A . 24 GLU CG 1 1
6 2653 1 1 24 GLU H H -0.758 4.627 -0.046 1.00 . A A . 24 GLU H 1 1
6 2654 1 1 24 GLU HA H -2.598 5.185 2.134 1.00 . A A . 24 GLU HA 1 1
6 2655 1 1 24 GLU HB2 H -2.803 5.483 -0.853 1.00 . A A . 24 GLU HB2 1 1
6 2656 1 1 24 GLU HB3 H -4.191 5.682 0.201 1.00 . A A . 24 GLU HB3 1 1
6 2657 1 1 24 GLU HG2 H -2.930 7.473 1.391 1.00 . A A . 24 GLU HG2 1 1
6 2658 1 1 24 GLU HG3 H -1.684 7.337 0.150 1.00 . A A . 24 GLU HG3 1 1
6 2659 1 1 24 GLU N N -1.087 4.583 0.878 1.00 . A A . 24 GLU N 1 1
6 2660 1 1 24 GLU O O -3.064 2.715 0.093 1.00 . A A . 24 GLU O 1 1
6 2661 1 1 24 GLU OE1 O -4.743 8.301 -0.309 1.00 . A A . 24 GLU OE1 1 1
6 2662 1 1 24 GLU OE2 O -2.924 8.728 -1.466 1.00 . A A . 24 GLU OE2 1 1
6 2663 1 1 25 MVA C C -6.296 2.166 2.509 1.00 . A A . 25 MVA C 1 1
6 2664 1 1 25 MVA CA C -4.878 1.923 1.994 1.00 . A A . 25 MVA CA 1 1
6 2665 1 1 25 MVA CB C -4.209 0.732 2.741 1.00 . A A . 25 MVA CB 1 1
6 2666 1 1 25 MVA CG1 C -3.851 1.062 4.181 1.00 . A A . 25 MVA CG1 1 1
6 2667 1 1 25 MVA CG2 C -5.109 -0.495 2.681 1.00 . A A . 25 MVA CG2 1 1
6 2668 1 1 25 MVA CN C -4.238 4.093 3.179 1.00 . A A . 25 MVA CN 1 1
6 2669 1 1 25 MVA HA H -4.978 1.622 0.958 1.00 . A A . 25 MVA HA 1 1
6 2670 1 1 25 MVA HB H -3.292 0.489 2.223 1.00 . A A . 25 MVA HB 1 1
6 2671 1 1 25 MVA HG11 H -3.137 1.872 4.197 1.00 . A A . 25 MVA HG11 1 1
6 2672 1 1 25 MVA HG12 H -3.419 0.193 4.653 1.00 . A A . 25 MVA HG12 1 1
6 2673 1 1 25 MVA HG13 H -4.742 1.357 4.715 1.00 . A A . 25 MVA HG13 1 1
6 2674 1 1 25 MVA HG21 H -6.051 -0.273 3.160 1.00 . A A . 25 MVA HG21 1 1
6 2675 1 1 25 MVA HG22 H -4.630 -1.319 3.190 1.00 . A A . 25 MVA HG22 1 1
6 2676 1 1 25 MVA HG23 H -5.285 -0.761 1.649 1.00 . A A . 25 MVA HG23 1 1
6 2677 1 1 25 MVA HN1 H -3.308 4.163 3.721 1.00 . A A . 25 MVA HN1 1 1
6 2678 1 1 25 MVA HN2 H -5.014 3.730 3.839 1.00 . A A . 25 MVA HN2 1 1
6 2679 1 1 25 MVA HN3 H -4.512 5.068 2.806 1.00 . A A . 25 MVA HN3 1 1
6 2680 1 1 25 MVA N N -4.081 3.155 2.043 1.00 . A A . 25 MVA N 1 1
6 2681 1 1 25 MVA O O -6.566 2.213 3.713 1.00 . A A . 25 MVA O 1 1
6 2682 1 1 26 HIS C C -9.453 1.459 1.655 1.00 . A A . 26 HIS C 1 1
6 2683 1 1 26 HIS CA C -8.572 2.682 1.850 1.00 . A A . 26 HIS CA 1 1
6 2684 1 1 26 HIS CB C -9.033 3.827 0.942 1.00 . A A . 26 HIS CB 1 1
6 2685 1 1 26 HIS CD2 C -7.258 5.569 0.168 1.00 . A A . 26 HIS CD2 1 1
6 2686 1 1 26 HIS CE1 C -7.324 6.897 1.910 1.00 . A A . 26 HIS CE1 1 1
6 2687 1 1 26 HIS CG C -8.174 5.060 1.031 1.00 . A A . 26 HIS CG 1 1
6 2688 1 1 26 HIS H H -6.934 2.171 0.625 1.00 . A A . 26 HIS H 1 1
6 2689 1 1 26 HIS HA H -8.628 2.997 2.880 1.00 . A A . 26 HIS HA 1 1
6 2690 1 1 26 HIS HB2 H -9.023 3.488 -0.083 1.00 . A A . 26 HIS HB2 1 1
6 2691 1 1 26 HIS HB3 H -10.039 4.103 1.212 1.00 . A A . 26 HIS HB3 1 1
6 2692 1 1 26 HIS HD1 H -8.752 5.820 2.914 1.00 . A A . 26 HIS HD1 1 1
6 2693 1 1 26 HIS HD2 H -6.986 5.157 -0.792 1.00 . A A . 26 HIS HD2 1 1
6 2694 1 1 26 HIS HE1 H -7.122 7.711 2.589 1.00 . A A . 26 HIS HE1 1 1
6 2695 1 1 26 HIS HE2 H -6.041 7.286 0.349 1.00 . A A . 26 HIS HE2 1 1
6 2696 1 1 26 HIS N N -7.197 2.330 1.560 1.00 . A A . 26 HIS N 1 1
6 2697 1 1 26 HIS ND1 N -8.189 5.917 2.112 1.00 . A A . 26 HIS ND1 1 1
6 2698 1 1 26 HIS NE2 N -6.746 6.708 0.739 1.00 . A A . 26 HIS NE2 1 1
6 2699 1 1 26 HIS O O -9.597 0.955 0.543 1.00 . A A . 26 HIS O 1 1
6 2700 1 1 27 CYS C C -12.183 -0.057 3.219 1.00 . A A . 27 CYS C 1 1
6 2701 1 1 27 CYS CA C -10.770 -0.271 2.690 1.00 . A A . 27 CYS CA 1 1
6 2702 1 1 27 CYS CB C -10.050 -1.345 3.505 1.00 . A A . 27 CYS CB 1 1
6 2703 1 1 27 CYS H H -9.923 1.442 3.590 1.00 . A A . 27 CYS H 1 1
6 2704 1 1 27 CYS HA H -10.823 -0.590 1.661 1.00 . A A . 27 CYS HA 1 1
6 2705 1 1 27 CYS HB2 H -8.985 -1.230 3.375 1.00 . A A . 27 CYS HB2 1 1
6 2706 1 1 27 CYS HB3 H -10.295 -1.217 4.548 1.00 . A A . 27 CYS HB3 1 1
6 2707 1 1 27 CYS N N -10.015 0.965 2.738 1.00 . A A . 27 CYS N 1 1
6 2708 1 1 27 CYS O O -12.442 -0.179 4.414 1.00 . A A . 27 CYS O 1 1
6 2709 1 1 27 CYS SG S -10.483 -3.051 3.034 1.00 . A A . 27 CYS SG 1 1
6 2710 1 1 28 NH2 HN1 H -12.817 0.362 1.384 1.00 . A A . 28 NH2 HN1 1 1
6 2711 1 1 28 NH2 HN2 H -14.009 0.438 2.631 1.00 . A A . 28 NH2 HN2 1 1
6 2712 1 1 28 NH2 N N -13.094 0.281 2.323 1.00 . A A . 28 NH2 N 1 1
7 2713 1 1 1 ASN C C 11.092 -4.611 -1.117 1.00 . A A . 1 ASN C 1 1
7 2714 1 1 1 ASN CA C 12.322 -3.888 -0.580 1.00 . A A . 1 ASN CA 1 1
7 2715 1 1 1 ASN CB C 13.455 -3.970 -1.610 1.00 . A A . 1 ASN CB 1 1
7 2716 1 1 1 ASN CG C 13.795 -5.398 -1.995 1.00 . A A . 1 ASN CG 1 1
7 2717 1 1 1 ASN H1 H 11.966 -4.444 1.397 1.00 . A A . 1 ASN H1 1 1
7 2718 1 1 1 ASN H2 H 13.546 -3.922 1.104 1.00 . A A . 1 ASN H2 1 1
7 2719 1 1 1 ASN H3 H 13.055 -5.453 0.587 1.00 . A A . 1 ASN H3 1 1
7 2720 1 1 1 ASN HA H 12.069 -2.851 -0.416 1.00 . A A . 1 ASN HA 1 1
7 2721 1 1 1 ASN HB2 H 13.159 -3.439 -2.501 1.00 . A A . 1 ASN HB2 1 1
7 2722 1 1 1 ASN HB3 H 14.339 -3.507 -1.198 1.00 . A A . 1 ASN HB3 1 1
7 2723 1 1 1 ASN HD21 H 15.185 -5.490 -0.573 1.00 . A A . 1 ASN HD21 1 1
7 2724 1 1 1 ASN HD22 H 14.984 -6.920 -1.528 1.00 . A A . 1 ASN HD22 1 1
7 2725 1 1 1 ASN N N 12.752 -4.469 0.714 1.00 . A A . 1 ASN N 1 1
7 2726 1 1 1 ASN ND2 N 14.749 -5.995 -1.295 1.00 . A A . 1 ASN ND2 1 1
7 2727 1 1 1 ASN O O 10.458 -4.150 -2.070 1.00 . A A . 1 ASN O 1 1
7 2728 1 1 1 ASN OD1 O 13.211 -5.960 -2.921 1.00 . A A . 1 ASN OD1 1 1
7 2729 1 1 2 ASP C C 8.309 -5.873 -0.444 1.00 . A A . 2 ASP C 1 1
7 2730 1 1 2 ASP CA C 9.599 -6.527 -0.922 1.00 . A A . 2 ASP CA 1 1
7 2731 1 1 2 ASP CB C 9.688 -7.961 -0.383 1.00 . A A . 2 ASP CB 1 1
7 2732 1 1 2 ASP CG C 10.810 -8.768 -1.014 1.00 . A A . 2 ASP CG 1 1
7 2733 1 1 2 ASP H H 11.301 -6.061 0.247 1.00 . A A . 2 ASP H 1 1
7 2734 1 1 2 ASP HA H 9.592 -6.557 -2.002 1.00 . A A . 2 ASP HA 1 1
7 2735 1 1 2 ASP HB2 H 9.854 -7.927 0.683 1.00 . A A . 2 ASP HB2 1 1
7 2736 1 1 2 ASP HB3 H 8.754 -8.466 -0.578 1.00 . A A . 2 ASP HB3 1 1
7 2737 1 1 2 ASP N N 10.757 -5.742 -0.505 1.00 . A A . 2 ASP N 1 1
7 2738 1 1 2 ASP O O 7.235 -6.091 -1.012 1.00 . A A . 2 ASP O 1 1
7 2739 1 1 2 ASP OD1 O 10.539 -9.531 -1.964 1.00 . A A . 2 ASP OD1 1 1
7 2740 1 1 2 ASP OD2 O 11.967 -8.663 -0.551 1.00 . A A . 2 ASP OD2 1 1
7 2741 1 1 3 B3K C C 5.992 -2.491 0.061 1.00 . A A . 3 B3K C 1 1
7 2742 1 1 3 B3K CA C 7.273 -2.895 0.750 1.00 . A A . 3 B3K CA 1 1
7 2743 1 1 3 B3K CB C 7.266 -4.368 1.146 1.00 . A A . 3 B3K CB 1 1
7 2744 1 1 3 B3K CD C 7.205 -5.884 3.194 1.00 . A A . 3 B3K CD 1 1
7 2745 1 1 3 B3K CE C 7.164 -5.914 4.709 1.00 . A A . 3 B3K CE 1 1
7 2746 1 1 3 B3K CF C 7.162 -7.338 5.235 1.00 . A A . 3 B3K CF 1 1
7 2747 1 1 3 B3K CG C 7.254 -4.461 2.672 1.00 . A A . 3 B3K CG 1 1
7 2748 1 1 3 B3K H H 9.301 -4.919 1.010 1.00 . A A . 3 B3K H 1 1
7 2749 1 1 3 B3K HA1 H 7.390 -2.293 1.637 1.00 . A A . 3 B3K HA1 1 1
7 2750 1 1 3 B3K HA2 H 8.099 -2.709 0.077 1.00 . A A . 3 B3K HA2 1 1
7 2751 1 1 3 B3K HB H 6.380 -4.842 0.731 1.00 . A A . 3 B3K HB 1 1
7 2752 1 1 3 B3K HD2 H 8.083 -6.414 2.855 1.00 . A A . 3 B3K HD2 1 1
7 2753 1 1 3 B3K HD3 H 6.319 -6.368 2.811 1.00 . A A . 3 B3K HD3 1 1
7 2754 1 1 3 B3K HE2 H 6.267 -5.415 5.045 1.00 . A A . 3 B3K HE2 1 1
7 2755 1 1 3 B3K HE3 H 8.032 -5.400 5.095 1.00 . A A . 3 B3K HE3 1 1
7 2756 1 1 3 B3K HF1 H 7.140 -7.308 6.313 1.00 . A A . 3 B3K HF1 1 1
7 2757 1 1 3 B3K HF2 H 8.065 -7.832 4.908 1.00 . A A . 3 B3K HF2 1 1
7 2758 1 1 3 B3K HG2 H 6.389 -3.933 3.046 1.00 . A A . 3 B3K HG2 1 1
7 2759 1 1 3 B3K HG3 H 8.146 -3.989 3.058 1.00 . A A . 3 B3K HG3 1 1
7 2760 1 1 3 B3K HNZ1 H 6.029 -9.085 5.105 1.00 . A A . 3 B3K HNZ1 1 1
7 2761 1 1 3 B3K HNZ2 H 5.976 -8.134 3.711 1.00 . A A . 3 B3K HNZ2 1 1
7 2762 1 1 3 B3K N N 8.419 -5.059 0.601 1.00 . A A . 3 B3K N 1 1
7 2763 1 1 3 B3K NZ N 5.987 -8.110 4.750 1.00 . A A . 3 B3K NZ 1 1
7 2764 1 1 3 B3K O O 4.893 -2.770 0.547 1.00 . A A . 3 B3K O 1 1
7 2765 1 1 4 CYS C C 4.373 -2.697 -2.520 1.00 . A A . 4 CYS C 1 1
7 2766 1 1 4 CYS CA C 4.985 -1.461 -1.880 1.00 . A A . 4 CYS CA 1 1
7 2767 1 1 4 CYS CB C 5.388 -0.439 -2.952 1.00 . A A . 4 CYS CB 1 1
7 2768 1 1 4 CYS H H 7.033 -1.638 -1.409 1.00 . A A . 4 CYS H 1 1
7 2769 1 1 4 CYS HA H 4.259 -1.018 -1.220 1.00 . A A . 4 CYS HA 1 1
7 2770 1 1 4 CYS HB2 H 5.922 0.371 -2.483 1.00 . A A . 4 CYS HB2 1 1
7 2771 1 1 4 CYS HB3 H 6.035 -0.919 -3.672 1.00 . A A . 4 CYS HB3 1 1
7 2772 1 1 4 CYS N N 6.133 -1.849 -1.086 1.00 . A A . 4 CYS N 1 1
7 2773 1 1 4 CYS O O 3.158 -2.877 -2.475 1.00 . A A . 4 CYS O 1 1
7 2774 1 1 4 CYS SG S 3.985 0.282 -3.865 1.00 . A A . 4 CYS SG 1 1
7 2775 1 1 5 LYS C C 3.841 -5.573 -2.832 1.00 . A A . 5 LYS C 1 1
7 2776 1 1 5 LYS CA C 4.792 -4.794 -3.733 1.00 . A A . 5 LYS CA 1 1
7 2777 1 1 5 LYS CB C 5.996 -5.670 -4.100 1.00 . A A . 5 LYS CB 1 1
7 2778 1 1 5 LYS CD C 6.458 -4.629 -6.348 1.00 . A A . 5 LYS CD 1 1
7 2779 1 1 5 LYS CE C 7.507 -3.983 -7.241 1.00 . A A . 5 LYS CE 1 1
7 2780 1 1 5 LYS CG C 7.026 -4.982 -4.984 1.00 . A A . 5 LYS CG 1 1
7 2781 1 1 5 LYS H H 6.196 -3.386 -2.998 1.00 . A A . 5 LYS H 1 1
7 2782 1 1 5 LYS HA H 4.269 -4.513 -4.634 1.00 . A A . 5 LYS HA 1 1
7 2783 1 1 5 LYS HB2 H 6.488 -5.980 -3.190 1.00 . A A . 5 LYS HB2 1 1
7 2784 1 1 5 LYS HB3 H 5.639 -6.546 -4.619 1.00 . A A . 5 LYS HB3 1 1
7 2785 1 1 5 LYS HD2 H 6.101 -5.530 -6.824 1.00 . A A . 5 LYS HD2 1 1
7 2786 1 1 5 LYS HD3 H 5.637 -3.941 -6.217 1.00 . A A . 5 LYS HD3 1 1
7 2787 1 1 5 LYS HE2 H 8.323 -4.676 -7.377 1.00 . A A . 5 LYS HE2 1 1
7 2788 1 1 5 LYS HE3 H 7.060 -3.764 -8.200 1.00 . A A . 5 LYS HE3 1 1
7 2789 1 1 5 LYS HG2 H 7.352 -4.076 -4.500 1.00 . A A . 5 LYS HG2 1 1
7 2790 1 1 5 LYS HG3 H 7.869 -5.643 -5.116 1.00 . A A . 5 LYS HG3 1 1
7 2791 1 1 5 LYS HZ1 H 8.739 -2.301 -7.294 1.00 . A A . 5 LYS HZ1 1 1
7 2792 1 1 5 LYS HZ2 H 8.495 -2.915 -5.741 1.00 . A A . 5 LYS HZ2 1 1
7 2793 1 1 5 LYS HZ3 H 7.267 -2.040 -6.509 1.00 . A A . 5 LYS HZ3 1 1
7 2794 1 1 5 LYS N N 5.234 -3.568 -3.063 1.00 . A A . 5 LYS N 1 1
7 2795 1 1 5 LYS NZ N 8.039 -2.724 -6.656 1.00 . A A . 5 LYS NZ 1 1
7 2796 1 1 5 LYS O O 2.626 -5.600 -3.062 1.00 . A A . 5 LYS O 1 1
7 2797 1 1 6 B3E C C 2.516 -5.685 1.054 1.00 . A A . 6 B3E C 1 1
7 2798 1 1 6 B3E CA C 3.755 -6.374 0.541 1.00 . A A . 6 B3E CA 1 1
7 2799 1 1 6 B3E CB C 3.579 -6.932 -0.867 1.00 . A A . 6 B3E CB 1 1
7 2800 1 1 6 B3E CD C 3.113 -9.291 0.020 1.00 . A A . 6 B3E CD 1 1
7 2801 1 1 6 B3E CE C 3.573 -10.735 0.049 1.00 . A A . 6 B3E CE 1 1
7 2802 1 1 6 B3E CG C 3.993 -8.411 -0.857 1.00 . A A . 6 B3E CG 1 1
7 2803 1 1 6 B3E H H 5.365 -6.151 -1.663 1.00 . A A . 6 B3E H 1 1
7 2804 1 1 6 B3E HA1 H 4.000 -7.181 1.212 1.00 . A A . 6 B3E HA1 1 1
7 2805 1 1 6 B3E HA2 H 4.563 -5.658 0.538 1.00 . A A . 6 B3E HA2 1 1
7 2806 1 1 6 B3E HB H 2.537 -6.799 -1.187 1.00 . A A . 6 B3E HB 1 1
7 2807 1 1 6 B3E HD2 H 2.104 -9.258 -0.360 1.00 . A A . 6 B3E HD2 1 1
7 2808 1 1 6 B3E HD3 H 3.130 -8.906 1.027 1.00 . A A . 6 B3E HD3 1 1
7 2809 1 1 6 B3E HG2 H 5.008 -8.483 -0.499 1.00 . A A . 6 B3E HG2 1 1
7 2810 1 1 6 B3E HG3 H 3.949 -8.789 -1.867 1.00 . A A . 6 B3E HG3 1 1
7 2811 1 1 6 B3E N N 4.390 -6.196 -1.798 1.00 . A A . 6 B3E N 1 1
7 2812 1 1 6 B3E O O 1.528 -6.327 1.424 1.00 . A A . 6 B3E O 1 1
7 2813 1 1 6 B3E OF1 O 3.004 -11.563 -0.695 1.00 . A A . 6 B3E OF1 1 1
7 2814 1 1 6 B3E OF2 O 4.511 -11.050 0.813 1.00 . A A . 6 B3E OF2 1 1
7 2815 1 1 7 LEU C C 0.388 -3.322 0.550 1.00 . A A . 7 LEU C 1 1
7 2816 1 1 7 LEU CA C 1.478 -3.559 1.588 1.00 . A A . 7 LEU CA 1 1
7 2817 1 1 7 LEU CB C 2.015 -2.235 2.128 1.00 . A A . 7 LEU CB 1 1
7 2818 1 1 7 LEU CD1 C 3.578 -1.021 3.671 1.00 . A A . 7 LEU CD1 1 1
7 2819 1 1 7 LEU CD2 C 2.516 -3.150 4.415 1.00 . A A . 7 LEU CD2 1 1
7 2820 1 1 7 LEU CG C 3.073 -2.380 3.227 1.00 . A A . 7 LEU CG 1 1
7 2821 1 1 7 LEU H H 3.354 -3.904 0.685 1.00 . A A . 7 LEU H 1 1
7 2822 1 1 7 LEU HA H 1.045 -4.112 2.407 1.00 . A A . 7 LEU HA 1 1
7 2823 1 1 7 LEU HB2 H 2.447 -1.682 1.306 1.00 . A A . 7 LEU HB2 1 1
7 2824 1 1 7 LEU HB3 H 1.188 -1.669 2.527 1.00 . A A . 7 LEU HB3 1 1
7 2825 1 1 7 LEU HD11 H 4.325 -1.150 4.440 1.00 . A A . 7 LEU HD11 1 1
7 2826 1 1 7 LEU HD12 H 2.756 -0.439 4.059 1.00 . A A . 7 LEU HD12 1 1
7 2827 1 1 7 LEU HD13 H 4.016 -0.507 2.827 1.00 . A A . 7 LEU HD13 1 1
7 2828 1 1 7 LEU HD21 H 2.264 -4.153 4.109 1.00 . A A . 7 LEU HD21 1 1
7 2829 1 1 7 LEU HD22 H 1.632 -2.652 4.784 1.00 . A A . 7 LEU HD22 1 1
7 2830 1 1 7 LEU HD23 H 3.259 -3.189 5.198 1.00 . A A . 7 LEU HD23 1 1
7 2831 1 1 7 LEU HG H 3.913 -2.934 2.835 1.00 . A A . 7 LEU HG 1 1
7 2832 1 1 7 LEU N N 2.561 -4.359 1.054 1.00 . A A . 7 LEU N 1 1
7 2833 1 1 7 LEU O O -0.792 -3.354 0.885 1.00 . A A . 7 LEU O 1 1
7 2834 1 1 8 LYS C C -0.963 -4.270 -1.941 1.00 . A A . 8 LYS C 1 1
7 2835 1 1 8 LYS CA C -0.249 -2.943 -1.750 1.00 . A A . 8 LYS CA 1 1
7 2836 1 1 8 LYS CB C 0.362 -2.490 -3.076 1.00 . A A . 8 LYS CB 1 1
7 2837 1 1 8 LYS CD C -0.036 -2.046 -5.521 1.00 . A A . 8 LYS CD 1 1
7 2838 1 1 8 LYS CE C 0.941 -0.883 -5.519 1.00 . A A . 8 LYS CE 1 1
7 2839 1 1 8 LYS CG C -0.676 -2.245 -4.159 1.00 . A A . 8 LYS CG 1 1
7 2840 1 1 8 LYS H H 1.715 -3.022 -0.940 1.00 . A A . 8 LYS H 1 1
7 2841 1 1 8 LYS HA H -0.962 -2.208 -1.415 1.00 . A A . 8 LYS HA 1 1
7 2842 1 1 8 LYS HB2 H 0.909 -1.573 -2.913 1.00 . A A . 8 LYS HB2 1 1
7 2843 1 1 8 LYS HB3 H 1.043 -3.251 -3.425 1.00 . A A . 8 LYS HB3 1 1
7 2844 1 1 8 LYS HD2 H 0.496 -2.946 -5.793 1.00 . A A . 8 LYS HD2 1 1
7 2845 1 1 8 LYS HD3 H -0.812 -1.851 -6.247 1.00 . A A . 8 LYS HD3 1 1
7 2846 1 1 8 LYS HE2 H 0.434 -0.003 -5.156 1.00 . A A . 8 LYS HE2 1 1
7 2847 1 1 8 LYS HE3 H 1.762 -1.122 -4.861 1.00 . A A . 8 LYS HE3 1 1
7 2848 1 1 8 LYS HG2 H -1.337 -3.096 -4.206 1.00 . A A . 8 LYS HG2 1 1
7 2849 1 1 8 LYS HG3 H -1.243 -1.362 -3.905 1.00 . A A . 8 LYS HG3 1 1
7 2850 1 1 8 LYS HZ1 H 0.702 -0.336 -7.515 1.00 . A A . 8 LYS HZ1 1 1
7 2851 1 1 8 LYS HZ2 H 1.936 -1.462 -7.258 1.00 . A A . 8 LYS HZ2 1 1
7 2852 1 1 8 LYS HZ3 H 2.170 0.160 -6.840 1.00 . A A . 8 LYS HZ3 1 1
7 2853 1 1 8 LYS N N 0.760 -3.089 -0.709 1.00 . A A . 8 LYS N 1 1
7 2854 1 1 8 LYS NZ N 1.473 -0.610 -6.876 1.00 . A A . 8 LYS NZ 1 1
7 2855 1 1 8 LYS O O -2.168 -4.383 -1.718 1.00 . A A . 8 LYS O 1 1
7 2856 1 1 9 B3K C C -1.088 -8.112 -0.533 1.00 . A A . 9 B3K C 1 1
7 2857 1 1 9 B3K CA C -0.123 -7.589 -1.569 1.00 . A A . 9 B3K CA 1 1
7 2858 1 1 9 B3K CB C -0.759 -6.597 -2.539 1.00 . A A . 9 B3K CB 1 1
7 2859 1 1 9 B3K CD C -0.935 -6.117 -5.048 1.00 . A A . 9 B3K CD 1 1
7 2860 1 1 9 B3K CE C -0.493 -6.577 -6.429 1.00 . A A . 9 B3K CE 1 1
7 2861 1 1 9 B3K CF C -0.940 -5.613 -7.518 1.00 . A A . 9 B3K CF 1 1
7 2862 1 1 9 B3K CG C -0.462 -7.076 -3.967 1.00 . A A . 9 B3K CG 1 1
7 2863 1 1 9 B3K H H 0.757 -5.129 -2.508 1.00 . A A . 9 B3K H 1 1
7 2864 1 1 9 B3K HA1 H 0.263 -8.427 -2.129 1.00 . A A . 9 B3K HA1 1 1
7 2865 1 1 9 B3K HA2 H 0.688 -7.103 -1.053 1.00 . A A . 9 B3K HA2 1 1
7 2866 1 1 9 B3K HB H -1.838 -6.527 -2.343 1.00 . A A . 9 B3K HB 1 1
7 2867 1 1 9 B3K HD2 H -0.521 -5.138 -4.855 1.00 . A A . 9 B3K HD2 1 1
7 2868 1 1 9 B3K HD3 H -2.013 -6.065 -5.025 1.00 . A A . 9 B3K HD3 1 1
7 2869 1 1 9 B3K HE2 H -0.918 -7.550 -6.626 1.00 . A A . 9 B3K HE2 1 1
7 2870 1 1 9 B3K HE3 H 0.585 -6.644 -6.445 1.00 . A A . 9 B3K HE3 1 1
7 2871 1 1 9 B3K HF1 H -0.543 -5.949 -8.464 1.00 . A A . 9 B3K HF1 1 1
7 2872 1 1 9 B3K HF2 H -0.551 -4.632 -7.293 1.00 . A A . 9 B3K HF2 1 1
7 2873 1 1 9 B3K HG2 H -0.947 -8.028 -4.124 1.00 . A A . 9 B3K HG2 1 1
7 2874 1 1 9 B3K HG3 H 0.605 -7.205 -4.075 1.00 . A A . 9 B3K HG3 1 1
7 2875 1 1 9 B3K HNZ1 H -2.821 -6.483 -7.753 1.00 . A A . 9 B3K HNZ1 1 1
7 2876 1 1 9 B3K HNZ2 H -2.697 -4.935 -8.419 1.00 . A A . 9 B3K HNZ2 1 1
7 2877 1 1 9 B3K N N -0.205 -5.280 -2.342 1.00 . A A . 9 B3K N 1 1
7 2878 1 1 9 B3K NZ N -2.421 -5.533 -7.616 1.00 . A A . 9 B3K NZ 1 1
7 2879 1 1 9 B3K O O -1.969 -8.922 -0.826 1.00 . A A . 9 B3K O 1 1
7 2880 1 1 10 ARG C C -3.103 -7.421 1.771 1.00 . A A . 10 ARG C 1 1
7 2881 1 1 10 ARG CA C -1.725 -8.071 1.816 1.00 . A A . 10 ARG CA 1 1
7 2882 1 1 10 ARG CB C -1.028 -7.719 3.132 1.00 . A A . 10 ARG CB 1 1
7 2883 1 1 10 ARG CD C -1.492 -9.889 4.310 1.00 . A A . 10 ARG CD 1 1
7 2884 1 1 10 ARG CG C -1.653 -8.376 4.352 1.00 . A A . 10 ARG CG 1 1
7 2885 1 1 10 ARG CZ C 0.366 -11.372 3.631 1.00 . A A . 10 ARG CZ 1 1
7 2886 1 1 10 ARG H H -0.195 -6.980 0.854 1.00 . A A . 10 ARG H 1 1
7 2887 1 1 10 ARG HA H -1.840 -9.140 1.752 1.00 . A A . 10 ARG HA 1 1
7 2888 1 1 10 ARG HB2 H 0.004 -8.028 3.073 1.00 . A A . 10 ARG HB2 1 1
7 2889 1 1 10 ARG HB3 H -1.065 -6.647 3.268 1.00 . A A . 10 ARG HB3 1 1
7 2890 1 1 10 ARG HD2 H -1.951 -10.310 5.192 1.00 . A A . 10 ARG HD2 1 1
7 2891 1 1 10 ARG HD3 H -1.992 -10.267 3.431 1.00 . A A . 10 ARG HD3 1 1
7 2892 1 1 10 ARG HE H 0.560 -9.719 4.752 1.00 . A A . 10 ARG HE 1 1
7 2893 1 1 10 ARG HG2 H -1.171 -7.995 5.239 1.00 . A A . 10 ARG HG2 1 1
7 2894 1 1 10 ARG HG3 H -2.705 -8.133 4.378 1.00 . A A . 10 ARG HG3 1 1
7 2895 1 1 10 ARG HH11 H -0.131 -12.973 2.490 1.00 . A A . 10 ARG HH11 1 1
7 2896 1 1 10 ARG HH12 H -1.452 -11.947 2.942 1.00 . A A . 10 ARG HH12 1 1
7 2897 1 1 10 ARG HH21 H 2.001 -12.480 3.175 1.00 . A A . 10 ARG HH21 1 1
7 2898 1 1 10 ARG HH22 H 2.306 -11.074 4.145 1.00 . A A . 10 ARG HH22 1 1
7 2899 1 1 10 ARG N N -0.910 -7.638 0.695 1.00 . A A . 10 ARG N 1 1
7 2900 1 1 10 ARG NE N -0.085 -10.290 4.270 1.00 . A A . 10 ARG NE 1 1
7 2901 1 1 10 ARG NH1 N -0.473 -12.159 2.969 1.00 . A A . 10 ARG NH1 1 1
7 2902 1 1 10 ARG NH2 N 1.660 -11.665 3.654 1.00 . A A . 10 ARG NH2 1 1
7 2903 1 1 10 ARG O O -4.113 -8.059 2.068 1.00 . A A . 10 ARG O 1 1
7 2904 1 1 11 TYR C C -5.092 -5.525 0.019 1.00 . A A . 11 TYR C 1 1
7 2905 1 1 11 TYR CA C -4.384 -5.396 1.361 1.00 . A A . 11 TYR CA 1 1
7 2906 1 1 11 TYR CB C -4.120 -3.921 1.660 1.00 . A A . 11 TYR CB 1 1
7 2907 1 1 11 TYR CD1 C -4.579 -3.631 4.128 1.00 . A A . 11 TYR CD1 1 1
7 2908 1 1 11 TYR CD2 C -2.333 -3.410 3.369 1.00 . A A . 11 TYR CD2 1 1
7 2909 1 1 11 TYR CE1 C -4.170 -3.395 5.426 1.00 . A A . 11 TYR CE1 1 1
7 2910 1 1 11 TYR CE2 C -1.915 -3.171 4.664 1.00 . A A . 11 TYR CE2 1 1
7 2911 1 1 11 TYR CG C -3.672 -3.643 3.079 1.00 . A A . 11 TYR CG 1 1
7 2912 1 1 11 TYR CZ C -2.858 -3.102 5.683 1.00 . A A . 11 TYR CZ 1 1
7 2913 1 1 11 TYR H H -2.314 -5.718 1.083 1.00 . A A . 11 TYR H 1 1
7 2914 1 1 11 TYR HA H -5.026 -5.797 2.130 1.00 . A A . 11 TYR HA 1 1
7 2915 1 1 11 TYR HB2 H -3.349 -3.560 0.996 1.00 . A A . 11 TYR HB2 1 1
7 2916 1 1 11 TYR HB3 H -5.026 -3.361 1.484 1.00 . A A . 11 TYR HB3 1 1
7 2917 1 1 11 TYR HD1 H -5.626 -3.810 3.920 1.00 . A A . 11 TYR HD1 1 1
7 2918 1 1 11 TYR HD2 H -1.614 -3.413 2.564 1.00 . A A . 11 TYR HD2 1 1
7 2919 1 1 11 TYR HE1 H -4.895 -3.390 6.226 1.00 . A A . 11 TYR HE1 1 1
7 2920 1 1 11 TYR HE2 H -0.870 -2.991 4.868 1.00 . A A . 11 TYR HE2 1 1
7 2921 1 1 11 TYR HH H -2.819 -3.590 7.569 1.00 . A A . 11 TYR HH 1 1
7 2922 1 1 11 TYR N N -3.141 -6.154 1.378 1.00 . A A . 11 TYR N 1 1
7 2923 1 1 11 TYR O O -5.995 -4.744 -0.283 1.00 . A A . 11 TYR O 1 1
7 2924 1 1 11 TYR OH O -2.425 -2.932 6.982 1.00 . A A . 11 TYR OH 1 1
7 2925 1 1 12 ABA C C -6.801 -6.962 -1.907 1.00 . A A . 12 AIB C 1 1
7 2926 1 1 12 ABA CA C -5.284 -6.791 -2.078 1.00 . A A . 12 AIB CA 1 1
7 2927 1 1 12 ABA H H -3.945 -7.083 -0.462 1.00 . A A . 12 AIB H 1 1
7 2928 1 1 12 ABA N N -4.679 -6.517 -0.769 1.00 . A A . 12 AIB N 1 1
7 2929 1 1 12 ABA O O -7.263 -7.955 -1.338 1.00 . A A . 12 AIB O 1 1
7 2930 1 1 13 GLY C C -9.495 -4.684 -1.669 1.00 . A A . 13 GLY C 1 1
7 2931 1 1 13 GLY CA C -9.001 -6.007 -2.214 1.00 . A A . 13 GLY CA 1 1
7 2932 1 1 13 GLY H H -7.143 -5.256 -2.880 1.00 . A A . 13 GLY H 1 1
7 2933 1 1 13 GLY HA2 H -9.474 -6.197 -3.165 1.00 . A A . 13 GLY HA2 1 1
7 2934 1 1 13 GLY HA3 H -9.264 -6.792 -1.523 1.00 . A A . 13 GLY HA3 1 1
7 2935 1 1 13 GLY N N -7.564 -5.995 -2.391 1.00 . A A . 13 GLY N 1 1
7 2936 1 1 13 GLY O O -10.600 -4.237 -1.979 1.00 . A A . 13 GLY O 1 1
7 2937 1 1 14 CYS C C -8.522 -1.678 -1.313 1.00 . A A . 14 CYS C 1 1
7 2938 1 1 14 CYS CA C -8.943 -2.743 -0.312 1.00 . A A . 14 CYS CA 1 1
7 2939 1 1 14 CYS CB C -8.173 -2.555 0.998 1.00 . A A . 14 CYS CB 1 1
7 2940 1 1 14 CYS H H -7.811 -4.492 -0.622 1.00 . A A . 14 CYS H 1 1
7 2941 1 1 14 CYS HA H -10.004 -2.667 -0.126 1.00 . A A . 14 CYS HA 1 1
7 2942 1 1 14 CYS HB2 H -7.115 -2.594 0.790 1.00 . A A . 14 CYS HB2 1 1
7 2943 1 1 14 CYS HB3 H -8.415 -1.587 1.414 1.00 . A A . 14 CYS HB3 1 1
7 2944 1 1 14 CYS N N -8.660 -4.057 -0.859 1.00 . A A . 14 CYS N 1 1
7 2945 1 1 14 CYS O O -7.878 -1.986 -2.319 1.00 . A A . 14 CYS O 1 1
7 2946 1 1 14 CYS SG S -8.533 -3.817 2.267 1.00 . A A . 14 CYS SG 1 1
7 2947 1 1 15 GLU C C -7.008 1.035 -1.432 1.00 . A A . 15 GLU C 1 1
7 2948 1 1 15 GLU CA C -8.417 0.673 -1.871 1.00 . A A . 15 GLU CA 1 1
7 2949 1 1 15 GLU CB C -9.341 1.885 -1.739 1.00 . A A . 15 GLU CB 1 1
7 2950 1 1 15 GLU CD C -10.561 1.656 -3.934 1.00 . A A . 15 GLU CD 1 1
7 2951 1 1 15 GLU CG C -10.682 1.705 -2.425 1.00 . A A . 15 GLU CG 1 1
7 2952 1 1 15 GLU H H -9.487 -0.249 -0.292 1.00 . A A . 15 GLU H 1 1
7 2953 1 1 15 GLU HA H -8.397 0.346 -2.900 1.00 . A A . 15 GLU HA 1 1
7 2954 1 1 15 GLU HB2 H -9.518 2.076 -0.689 1.00 . A A . 15 GLU HB2 1 1
7 2955 1 1 15 GLU HB3 H -8.850 2.744 -2.173 1.00 . A A . 15 GLU HB3 1 1
7 2956 1 1 15 GLU HG2 H -11.124 0.779 -2.085 1.00 . A A . 15 GLU HG2 1 1
7 2957 1 1 15 GLU HG3 H -11.323 2.529 -2.154 1.00 . A A . 15 GLU HG3 1 1
7 2958 1 1 15 GLU N N -8.894 -0.433 -1.057 1.00 . A A . 15 GLU N 1 1
7 2959 1 1 15 GLU O O -6.810 1.461 -0.298 1.00 . A A . 15 GLU O 1 1
7 2960 1 1 15 GLU OE1 O -10.523 2.731 -4.570 1.00 . A A . 15 GLU OE1 1 1
7 2961 1 1 15 GLU OE2 O -10.508 0.540 -4.493 1.00 . A A . 15 GLU OE2 1 1
7 2962 1 1 16 MVA C C -3.775 1.818 -2.919 1.00 . A A . 16 MVA C 1 1
7 2963 1 1 16 MVA CA C -4.615 1.092 -1.867 1.00 . A A . 16 MVA CA 1 1
7 2964 1 1 16 MVA CB C -3.920 -0.230 -1.421 1.00 . A A . 16 MVA CB 1 1
7 2965 1 1 16 MVA CG1 C -3.886 -1.276 -2.527 1.00 . A A . 16 MVA CG1 1 1
7 2966 1 1 16 MVA CG2 C -2.512 0.058 -0.911 1.00 . A A . 16 MVA CG2 1 1
7 2967 1 1 16 MVA CN C -6.302 0.536 -3.714 1.00 . A A . 16 MVA CN 1 1
7 2968 1 1 16 MVA HA H -4.632 1.733 -0.995 1.00 . A A . 16 MVA HA 1 1
7 2969 1 1 16 MVA HB H -4.487 -0.642 -0.600 1.00 . A A . 16 MVA HB 1 1
7 2970 1 1 16 MVA HG11 H -4.896 -1.519 -2.823 1.00 . A A . 16 MVA HG11 1 1
7 2971 1 1 16 MVA HG12 H -3.392 -2.166 -2.164 1.00 . A A . 16 MVA HG12 1 1
7 2972 1 1 16 MVA HG13 H -3.347 -0.884 -3.375 1.00 . A A . 16 MVA HG13 1 1
7 2973 1 1 16 MVA HG21 H -2.081 -0.847 -0.510 1.00 . A A . 16 MVA HG21 1 1
7 2974 1 1 16 MVA HG22 H -2.555 0.810 -0.136 1.00 . A A . 16 MVA HG22 1 1
7 2975 1 1 16 MVA HG23 H -1.901 0.418 -1.726 1.00 . A A . 16 MVA HG23 1 1
7 2976 1 1 16 MVA HN1 H -5.390 0.567 -4.292 1.00 . A A . 16 MVA HN1 1 1
7 2977 1 1 16 MVA HN2 H -7.008 1.250 -4.114 1.00 . A A . 16 MVA HN2 1 1
7 2978 1 1 16 MVA HN3 H -6.724 -0.456 -3.766 1.00 . A A . 16 MVA HN3 1 1
7 2979 1 1 16 MVA N N -6.004 0.874 -2.303 1.00 . A A . 16 MVA N 1 1
7 2980 1 1 16 MVA O O -3.401 1.271 -3.960 1.00 . A A . 16 MVA O 1 1
7 2981 1 1 17 ARG C C -1.303 4.060 -2.944 1.00 . A A . 17 ARG C 1 1
7 2982 1 1 17 ARG CA C -2.719 3.930 -3.488 1.00 . A A . 17 ARG CA 1 1
7 2983 1 1 17 ARG CB C -3.381 5.303 -3.589 1.00 . A A . 17 ARG CB 1 1
7 2984 1 1 17 ARG CD C -5.497 6.609 -4.002 1.00 . A A . 17 ARG CD 1 1
7 2985 1 1 17 ARG CG C -4.816 5.251 -4.099 1.00 . A A . 17 ARG CG 1 1
7 2986 1 1 17 ARG CZ C -4.902 8.945 -4.520 1.00 . A A . 17 ARG CZ 1 1
7 2987 1 1 17 ARG H H -3.795 3.426 -1.753 1.00 . A A . 17 ARG H 1 1
7 2988 1 1 17 ARG HA H -2.682 3.475 -4.465 1.00 . A A . 17 ARG HA 1 1
7 2989 1 1 17 ARG HB2 H -3.384 5.760 -2.611 1.00 . A A . 17 ARG HB2 1 1
7 2990 1 1 17 ARG HB3 H -2.805 5.919 -4.262 1.00 . A A . 17 ARG HB3 1 1
7 2991 1 1 17 ARG HD2 H -6.503 6.522 -4.386 1.00 . A A . 17 ARG HD2 1 1
7 2992 1 1 17 ARG HD3 H -5.536 6.904 -2.963 1.00 . A A . 17 ARG HD3 1 1
7 2993 1 1 17 ARG HE H -4.198 7.340 -5.487 1.00 . A A . 17 ARG HE 1 1
7 2994 1 1 17 ARG HG2 H -4.809 4.935 -5.132 1.00 . A A . 17 ARG HG2 1 1
7 2995 1 1 17 ARG HG3 H -5.372 4.537 -3.509 1.00 . A A . 17 ARG HG3 1 1
7 2996 1 1 17 ARG HH11 H -6.218 8.729 -2.992 1.00 . A A . 17 ARG HH11 1 1
7 2997 1 1 17 ARG HH12 H -5.778 10.366 -3.367 1.00 . A A . 17 ARG HH12 1 1
7 2998 1 1 17 ARG HH21 H -4.305 10.801 -5.077 1.00 . A A . 17 ARG HH21 1 1
7 2999 1 1 17 ARG HH22 H -3.627 9.494 -5.995 1.00 . A A . 17 ARG HH22 1 1
7 3000 1 1 17 ARG N N -3.491 3.072 -2.618 1.00 . A A . 17 ARG N 1 1
7 3001 1 1 17 ARG NE N -4.790 7.640 -4.758 1.00 . A A . 17 ARG NE 1 1
7 3002 1 1 17 ARG NH1 N -5.697 9.380 -3.550 1.00 . A A . 17 ARG NH1 1 1
7 3003 1 1 17 ARG NH2 N -4.224 9.815 -5.255 1.00 . A A . 17 ARG NH2 1 1
7 3004 1 1 17 ARG O O -1.057 4.775 -1.967 1.00 . A A . 17 ARG O 1 1
7 3005 1 1 18 CYS C C 1.873 4.211 -3.974 1.00 . A A . 18 CYS C 1 1
7 3006 1 1 18 CYS CA C 0.991 3.316 -3.111 1.00 . A A . 18 CYS CA 1 1
7 3007 1 1 18 CYS CB C 1.508 1.877 -3.142 1.00 . A A . 18 CYS CB 1 1
7 3008 1 1 18 CYS H H -0.640 2.839 -4.362 1.00 . A A . 18 CYS H 1 1
7 3009 1 1 18 CYS HA H 1.015 3.675 -2.093 1.00 . A A . 18 CYS HA 1 1
7 3010 1 1 18 CYS HB2 H 0.887 1.271 -2.500 1.00 . A A . 18 CYS HB2 1 1
7 3011 1 1 18 CYS HB3 H 1.442 1.507 -4.152 1.00 . A A . 18 CYS HB3 1 1
7 3012 1 1 18 CYS N N -0.386 3.352 -3.565 1.00 . A A . 18 CYS N 1 1
7 3013 1 1 18 CYS O O 1.761 4.217 -5.203 1.00 . A A . 18 CYS O 1 1
7 3014 1 1 18 CYS SG S 3.234 1.676 -2.591 1.00 . A A . 18 CYS SG 1 1
7 3015 1 1 19 ASP C C 4.988 5.845 -3.180 1.00 . A A . 19 ASP C 1 1
7 3016 1 1 19 ASP CA C 3.715 5.795 -4.005 1.00 . A A . 19 ASP CA 1 1
7 3017 1 1 19 ASP CB C 3.206 7.216 -4.246 1.00 . A A . 19 ASP CB 1 1
7 3018 1 1 19 ASP CG C 4.223 8.060 -4.993 1.00 . A A . 19 ASP CG 1 1
7 3019 1 1 19 ASP H H 2.705 4.983 -2.339 1.00 . A A . 19 ASP H 1 1
7 3020 1 1 19 ASP HA H 3.931 5.329 -4.955 1.00 . A A . 19 ASP HA 1 1
7 3021 1 1 19 ASP HB2 H 2.298 7.175 -4.825 1.00 . A A . 19 ASP HB2 1 1
7 3022 1 1 19 ASP HB3 H 3.004 7.685 -3.295 1.00 . A A . 19 ASP HB3 1 1
7 3023 1 1 19 ASP N N 2.729 4.977 -3.321 1.00 . A A . 19 ASP N 1 1
7 3024 1 1 19 ASP O O 5.096 6.641 -2.243 1.00 . A A . 19 ASP O 1 1
7 3025 1 1 19 ASP OD1 O 4.816 8.975 -4.384 1.00 . A A . 19 ASP OD1 1 1
7 3026 1 1 19 ASP OD2 O 4.455 7.796 -6.193 1.00 . A A . 19 ASP OD2 1 1
7 3027 1 1 20 DPR C C 7.018 4.664 -1.283 1.00 . A A . 20 DPR C 1 1
7 3028 1 1 20 DPR CA C 7.228 4.912 -2.776 1.00 . A A . 20 DPR CA 1 1
7 3029 1 1 20 DPR CB C 7.961 3.734 -3.418 1.00 . A A . 20 DPR CB 1 1
7 3030 1 1 20 DPR CD C 5.895 3.993 -4.591 1.00 . A A . 20 DPR CD 1 1
7 3031 1 1 20 DPR CG C 7.325 3.560 -4.752 1.00 . A A . 20 DPR CG 1 1
7 3032 1 1 20 DPR HA H 7.809 5.809 -2.913 1.00 . A A . 20 DPR HA 1 1
7 3033 1 1 20 DPR HB2 H 7.838 2.855 -2.805 1.00 . A A . 20 DPR HB2 1 1
7 3034 1 1 20 DPR HB3 H 9.011 3.970 -3.509 1.00 . A A . 20 DPR HB3 1 1
7 3035 1 1 20 DPR HD2 H 5.274 3.154 -4.315 1.00 . A A . 20 DPR HD2 1 1
7 3036 1 1 20 DPR HD3 H 5.538 4.447 -5.502 1.00 . A A . 20 DPR HD3 1 1
7 3037 1 1 20 DPR HG2 H 7.371 2.523 -5.046 1.00 . A A . 20 DPR HG2 1 1
7 3038 1 1 20 DPR HG3 H 7.825 4.180 -5.481 1.00 . A A . 20 DPR HG3 1 1
7 3039 1 1 20 DPR N N 5.960 4.981 -3.501 1.00 . A A . 20 DPR N 1 1
7 3040 1 1 20 DPR O O 6.553 3.599 -0.882 1.00 . A A . 20 DPR O 1 1
7 3041 1 1 21 PRO C C 5.773 5.729 1.493 1.00 . A A . 21 PRO C 1 1
7 3042 1 1 21 PRO CA C 7.213 5.551 1.007 1.00 . A A . 21 PRO CA 1 1
7 3043 1 1 21 PRO CB C 8.088 6.696 1.516 1.00 . A A . 21 PRO CB 1 1
7 3044 1 1 21 PRO CD C 7.921 6.955 -0.854 1.00 . A A . 21 PRO CD 1 1
7 3045 1 1 21 PRO CG C 8.021 7.720 0.437 1.00 . A A . 21 PRO CG 1 1
7 3046 1 1 21 PRO HA H 7.600 4.613 1.371 1.00 . A A . 21 PRO HA 1 1
7 3047 1 1 21 PRO HB2 H 7.689 7.072 2.448 1.00 . A A . 21 PRO HB2 1 1
7 3048 1 1 21 PRO HB3 H 9.098 6.345 1.663 1.00 . A A . 21 PRO HB3 1 1
7 3049 1 1 21 PRO HD2 H 7.266 7.462 -1.544 1.00 . A A . 21 PRO HD2 1 1
7 3050 1 1 21 PRO HD3 H 8.898 6.824 -1.289 1.00 . A A . 21 PRO HD3 1 1
7 3051 1 1 21 PRO HG2 H 7.146 8.339 0.574 1.00 . A A . 21 PRO HG2 1 1
7 3052 1 1 21 PRO HG3 H 8.914 8.325 0.447 1.00 . A A . 21 PRO HG3 1 1
7 3053 1 1 21 PRO N N 7.352 5.656 -0.447 1.00 . A A . 21 PRO N 1 1
7 3054 1 1 21 PRO O O 5.502 5.610 2.687 1.00 . A A . 21 PRO O 1 1
7 3055 1 1 22 ARG C C 2.606 5.037 0.572 1.00 . A A . 22 ARG C 1 1
7 3056 1 1 22 ARG CA C 3.462 6.227 0.959 1.00 . A A . 22 ARG CA 1 1
7 3057 1 1 22 ARG CB C 2.901 7.502 0.328 1.00 . A A . 22 ARG CB 1 1
7 3058 1 1 22 ARG CD C 3.312 8.892 2.388 1.00 . A A . 22 ARG CD 1 1
7 3059 1 1 22 ARG CG C 3.513 8.776 0.882 1.00 . A A . 22 ARG CG 1 1
7 3060 1 1 22 ARG CZ C 1.396 9.445 3.851 1.00 . A A . 22 ARG CZ 1 1
7 3061 1 1 22 ARG H H 5.114 6.086 -0.366 1.00 . A A . 22 ARG H 1 1
7 3062 1 1 22 ARG HA H 3.431 6.331 2.033 1.00 . A A . 22 ARG HA 1 1
7 3063 1 1 22 ARG HB2 H 3.085 7.472 -0.736 1.00 . A A . 22 ARG HB2 1 1
7 3064 1 1 22 ARG HB3 H 1.836 7.534 0.499 1.00 . A A . 22 ARG HB3 1 1
7 3065 1 1 22 ARG HD2 H 3.824 8.074 2.871 1.00 . A A . 22 ARG HD2 1 1
7 3066 1 1 22 ARG HD3 H 3.738 9.825 2.721 1.00 . A A . 22 ARG HD3 1 1
7 3067 1 1 22 ARG HE H 1.282 8.345 2.185 1.00 . A A . 22 ARG HE 1 1
7 3068 1 1 22 ARG HG2 H 4.573 8.774 0.672 1.00 . A A . 22 ARG HG2 1 1
7 3069 1 1 22 ARG HG3 H 3.050 9.624 0.398 1.00 . A A . 22 ARG HG3 1 1
7 3070 1 1 22 ARG HH11 H 1.794 10.593 5.472 1.00 . A A . 22 ARG HH11 1 1
7 3071 1 1 22 ARG HH12 H 3.153 10.259 4.450 1.00 . A A . 22 ARG HH12 1 1
7 3072 1 1 22 ARG HH21 H -0.283 9.764 4.939 1.00 . A A . 22 ARG HH21 1 1
7 3073 1 1 22 ARG HH22 H -0.489 8.782 3.516 1.00 . A A . 22 ARG HH22 1 1
7 3074 1 1 22 ARG N N 4.855 6.021 0.581 1.00 . A A . 22 ARG N 1 1
7 3075 1 1 22 ARG NE N 1.897 8.856 2.767 1.00 . A A . 22 ARG NE 1 1
7 3076 1 1 22 ARG NH1 N 2.179 10.155 4.656 1.00 . A A . 22 ARG NH1 1 1
7 3077 1 1 22 ARG NH2 N 0.107 9.323 4.126 1.00 . A A . 22 ARG NH2 1 1
7 3078 1 1 22 ARG O O 2.693 4.528 -0.545 1.00 . A A . 22 ARG O 1 1
7 3079 1 1 23 TYR C C -0.495 3.805 1.777 1.00 . A A . 23 TYR C 1 1
7 3080 1 1 23 TYR CA C 0.909 3.459 1.308 1.00 . A A . 23 TYR CA 1 1
7 3081 1 1 23 TYR CB C 1.420 2.256 2.099 1.00 . A A . 23 TYR CB 1 1
7 3082 1 1 23 TYR CD1 C 3.724 2.539 3.083 1.00 . A A . 23 TYR CD1 1 1
7 3083 1 1 23 TYR CD2 C 3.528 1.462 0.968 1.00 . A A . 23 TYR CD2 1 1
7 3084 1 1 23 TYR CE1 C 5.093 2.388 3.037 1.00 . A A . 23 TYR CE1 1 1
7 3085 1 1 23 TYR CE2 C 4.897 1.303 0.915 1.00 . A A . 23 TYR CE2 1 1
7 3086 1 1 23 TYR CG C 2.919 2.082 2.052 1.00 . A A . 23 TYR CG 1 1
7 3087 1 1 23 TYR CZ C 5.676 1.756 1.982 1.00 . A A . 23 TYR CZ 1 1
7 3088 1 1 23 TYR H H 1.750 5.074 2.369 1.00 . A A . 23 TYR H 1 1
7 3089 1 1 23 TYR HA H 0.890 3.220 0.255 1.00 . A A . 23 TYR HA 1 1
7 3090 1 1 23 TYR HB2 H 1.134 2.369 3.134 1.00 . A A . 23 TYR HB2 1 1
7 3091 1 1 23 TYR HB3 H 0.967 1.358 1.703 1.00 . A A . 23 TYR HB3 1 1
7 3092 1 1 23 TYR HD1 H 3.263 3.021 3.932 1.00 . A A . 23 TYR HD1 1 1
7 3093 1 1 23 TYR HD2 H 2.914 1.097 0.157 1.00 . A A . 23 TYR HD2 1 1
7 3094 1 1 23 TYR HE1 H 5.702 2.750 3.848 1.00 . A A . 23 TYR HE1 1 1
7 3095 1 1 23 TYR HE2 H 5.349 0.819 0.065 1.00 . A A . 23 TYR HE2 1 1
7 3096 1 1 23 TYR HH H 7.351 1.821 1.004 1.00 . A A . 23 TYR HH 1 1
7 3097 1 1 23 TYR N N 1.779 4.603 1.509 1.00 . A A . 23 TYR N 1 1
7 3098 1 1 23 TYR O O -0.882 3.474 2.900 1.00 . A A . 23 TYR O 1 1
7 3099 1 1 23 TYR OH O 7.044 1.617 1.897 1.00 . A A . 23 TYR OH 1 1
7 3100 1 1 24 GLU C C -3.555 3.747 1.167 1.00 . A A . 24 GLU C 1 1
7 3101 1 1 24 GLU CA C -2.587 4.914 1.306 1.00 . A A . 24 GLU CA 1 1
7 3102 1 1 24 GLU CB C -3.041 6.089 0.438 1.00 . A A . 24 GLU CB 1 1
7 3103 1 1 24 GLU CD C -1.657 7.677 1.843 1.00 . A A . 24 GLU CD 1 1
7 3104 1 1 24 GLU CG C -2.074 7.265 0.444 1.00 . A A . 24 GLU CG 1 1
7 3105 1 1 24 GLU H H -0.919 4.672 0.027 1.00 . A A . 24 GLU H 1 1
7 3106 1 1 24 GLU HA H -2.557 5.226 2.339 1.00 . A A . 24 GLU HA 1 1
7 3107 1 1 24 GLU HB2 H -3.148 5.746 -0.579 1.00 . A A . 24 GLU HB2 1 1
7 3108 1 1 24 GLU HB3 H -3.998 6.436 0.792 1.00 . A A . 24 GLU HB3 1 1
7 3109 1 1 24 GLU HG2 H -1.189 6.991 -0.111 1.00 . A A . 24 GLU HG2 1 1
7 3110 1 1 24 GLU HG3 H -2.551 8.106 -0.036 1.00 . A A . 24 GLU HG3 1 1
7 3111 1 1 24 GLU N N -1.253 4.481 0.931 1.00 . A A . 24 GLU N 1 1
7 3112 1 1 24 GLU O O -3.717 3.211 0.080 1.00 . A A . 24 GLU O 1 1
7 3113 1 1 24 GLU OE1 O -2.495 8.231 2.584 1.00 . A A . 24 GLU OE1 1 1
7 3114 1 1 24 GLU OE2 O -0.486 7.456 2.209 1.00 . A A . 24 GLU OE2 1 1
7 3115 1 1 25 MVA C C -6.332 2.184 3.013 1.00 . A A . 25 MVA C 1 1
7 3116 1 1 25 MVA CA C -5.041 2.106 2.188 1.00 . A A . 25 MVA CA 1 1
7 3117 1 1 25 MVA CB C -4.229 0.843 2.592 1.00 . A A . 25 MVA CB 1 1
7 3118 1 1 25 MVA CG1 C -3.665 0.938 4.003 1.00 . A A . 25 MVA CG1 1 1
7 3119 1 1 25 MVA CG2 C -5.086 -0.404 2.444 1.00 . A A . 25 MVA CG2 1 1
7 3120 1 1 25 MVA CN C -4.162 4.140 3.490 1.00 . A A . 25 MVA CN 1 1
7 3121 1 1 25 MVA HA H -5.345 1.955 1.161 1.00 . A A . 25 MVA HA 1 1
7 3122 1 1 25 MVA HB H -3.396 0.751 1.911 1.00 . A A . 25 MVA HB 1 1
7 3123 1 1 25 MVA HG11 H -3.134 0.028 4.240 1.00 . A A . 25 MVA HG11 1 1
7 3124 1 1 25 MVA HG12 H -4.474 1.076 4.705 1.00 . A A . 25 MVA HG12 1 1
7 3125 1 1 25 MVA HG13 H -2.988 1.776 4.063 1.00 . A A . 25 MVA HG13 1 1
7 3126 1 1 25 MVA HG21 H -5.405 -0.503 1.417 1.00 . A A . 25 MVA HG21 1 1
7 3127 1 1 25 MVA HG22 H -5.953 -0.324 3.084 1.00 . A A . 25 MVA HG22 1 1
7 3128 1 1 25 MVA HG23 H -4.510 -1.273 2.728 1.00 . A A . 25 MVA HG23 1 1
7 3129 1 1 25 MVA HN1 H -3.171 4.084 3.913 1.00 . A A . 25 MVA HN1 1 1
7 3130 1 1 25 MVA HN2 H -4.879 3.756 4.203 1.00 . A A . 25 MVA HN2 1 1
7 3131 1 1 25 MVA HN3 H -4.397 5.168 3.262 1.00 . A A . 25 MVA HN3 1 1
7 3132 1 1 25 MVA N N -4.222 3.333 2.253 1.00 . A A . 25 MVA N 1 1
7 3133 1 1 25 MVA O O -6.328 2.364 4.234 1.00 . A A . 25 MVA O 1 1
7 3134 1 1 26 HIS C C -9.550 0.839 2.593 1.00 . A A . 26 HIS C 1 1
7 3135 1 1 26 HIS CA C -8.758 2.098 2.923 1.00 . A A . 26 HIS CA 1 1
7 3136 1 1 26 HIS CB C -9.512 3.335 2.427 1.00 . A A . 26 HIS CB 1 1
7 3137 1 1 26 HIS CD2 C -7.947 5.357 1.979 1.00 . A A . 26 HIS CD2 1 1
7 3138 1 1 26 HIS CE1 C -8.249 6.425 3.863 1.00 . A A . 26 HIS CE1 1 1
7 3139 1 1 26 HIS CG C -8.820 4.633 2.719 1.00 . A A . 26 HIS CG 1 1
7 3140 1 1 26 HIS H H -7.378 1.849 1.351 1.00 . A A . 26 HIS H 1 1
7 3141 1 1 26 HIS HA H -8.630 2.164 3.992 1.00 . A A . 26 HIS HA 1 1
7 3142 1 1 26 HIS HB2 H -9.639 3.261 1.356 1.00 . A A . 26 HIS HB2 1 1
7 3143 1 1 26 HIS HB3 H -10.484 3.363 2.893 1.00 . A A . 26 HIS HB3 1 1
7 3144 1 1 26 HIS HD1 H -9.568 5.069 4.643 1.00 . A A . 26 HIS HD1 1 1
7 3145 1 1 26 HIS HD2 H -7.584 5.110 0.992 1.00 . A A . 26 HIS HD2 1 1
7 3146 1 1 26 HIS HE1 H -8.180 7.163 4.648 1.00 . A A . 26 HIS HE1 1 1
7 3147 1 1 26 HIS HE2 H -7.006 7.181 2.421 1.00 . A A . 26 HIS HE2 1 1
7 3148 1 1 26 HIS N N -7.445 2.030 2.316 1.00 . A A . 26 HIS N 1 1
7 3149 1 1 26 HIS ND1 N -8.988 5.332 3.895 1.00 . A A . 26 HIS ND1 1 1
7 3150 1 1 26 HIS NE2 N -7.610 6.461 2.715 1.00 . A A . 26 HIS NE2 1 1
7 3151 1 1 26 HIS O O -9.881 0.586 1.433 1.00 . A A . 26 HIS O 1 1
7 3152 1 1 27 CYS C C -12.080 -0.903 3.693 1.00 . A A . 27 CYS C 1 1
7 3153 1 1 27 CYS CA C -10.607 -1.174 3.432 1.00 . A A . 27 CYS CA 1 1
7 3154 1 1 27 CYS CB C -10.098 -2.273 4.363 1.00 . A A . 27 CYS CB 1 1
7 3155 1 1 27 CYS H H -9.502 0.275 4.504 1.00 . A A . 27 CYS H 1 1
7 3156 1 1 27 CYS HA H -10.488 -1.497 2.409 1.00 . A A . 27 CYS HA 1 1
7 3157 1 1 27 CYS HB2 H -10.135 -1.917 5.381 1.00 . A A . 27 CYS HB2 1 1
7 3158 1 1 27 CYS HB3 H -10.738 -3.138 4.266 1.00 . A A . 27 CYS HB3 1 1
7 3159 1 1 27 CYS N N -9.829 0.041 3.608 1.00 . A A . 27 CYS N 1 1
7 3160 1 1 27 CYS O O -12.586 -1.119 4.793 1.00 . A A . 27 CYS O 1 1
7 3161 1 1 27 CYS SG S -8.387 -2.804 4.021 1.00 . A A . 27 CYS SG 1 1
7 3162 1 1 28 NH2 HN1 H -12.304 -0.266 1.827 1.00 . A A . 28 NH2 HN1 1 1
7 3163 1 1 28 NH2 HN2 H -13.720 -0.228 2.814 1.00 . A A . 28 NH2 HN2 1 1
7 3164 1 1 28 NH2 N N -12.770 -0.417 2.678 1.00 . A A . 28 NH2 N 1 1
8 3165 1 1 1 ASN C C 11.558 -5.227 -0.645 1.00 . A A . 1 ASN C 1 1
8 3166 1 1 1 ASN CA C 12.474 -5.746 0.451 1.00 . A A . 1 ASN CA 1 1
8 3167 1 1 1 ASN CB C 12.886 -4.591 1.367 1.00 . A A . 1 ASN CB 1 1
8 3168 1 1 1 ASN CG C 13.603 -5.061 2.615 1.00 . A A . 1 ASN CG 1 1
8 3169 1 1 1 ASN H1 H 13.390 -7.191 -0.736 1.00 . A A . 1 ASN H1 1 1
8 3170 1 1 1 ASN H2 H 14.298 -6.739 0.618 1.00 . A A . 1 ASN H2 1 1
8 3171 1 1 1 ASN H3 H 14.195 -5.708 -0.719 1.00 . A A . 1 ASN H3 1 1
8 3172 1 1 1 ASN HA H 11.942 -6.483 1.033 1.00 . A A . 1 ASN HA 1 1
8 3173 1 1 1 ASN HB2 H 13.546 -3.929 0.825 1.00 . A A . 1 ASN HB2 1 1
8 3174 1 1 1 ASN HB3 H 12.005 -4.045 1.664 1.00 . A A . 1 ASN HB3 1 1
8 3175 1 1 1 ASN HD21 H 12.861 -3.534 3.643 1.00 . A A . 1 ASN HD21 1 1
8 3176 1 1 1 ASN HD22 H 13.884 -4.611 4.529 1.00 . A A . 1 ASN HD22 1 1
8 3177 1 1 1 ASN N N 13.672 -6.391 -0.135 1.00 . A A . 1 ASN N 1 1
8 3178 1 1 1 ASN ND2 N 13.432 -4.329 3.704 1.00 . A A . 1 ASN ND2 1 1
8 3179 1 1 1 ASN O O 11.911 -4.292 -1.361 1.00 . A A . 1 ASN O 1 1
8 3180 1 1 1 ASN OD1 O 14.301 -6.075 2.601 1.00 . A A . 1 ASN OD1 1 1
8 3181 1 1 2 ASP C C 8.092 -5.033 -1.248 1.00 . A A . 2 ASP C 1 1
8 3182 1 1 2 ASP CA C 9.438 -5.445 -1.827 1.00 . A A . 2 ASP CA 1 1
8 3183 1 1 2 ASP CB C 9.239 -6.583 -2.832 1.00 . A A . 2 ASP CB 1 1
8 3184 1 1 2 ASP CG C 10.343 -6.645 -3.866 1.00 . A A . 2 ASP CG 1 1
8 3185 1 1 2 ASP H H 10.145 -6.567 -0.172 1.00 . A A . 2 ASP H 1 1
8 3186 1 1 2 ASP HA H 9.860 -4.599 -2.344 1.00 . A A . 2 ASP HA 1 1
8 3187 1 1 2 ASP HB2 H 9.214 -7.522 -2.303 1.00 . A A . 2 ASP HB2 1 1
8 3188 1 1 2 ASP HB3 H 8.300 -6.439 -3.345 1.00 . A A . 2 ASP HB3 1 1
8 3189 1 1 2 ASP N N 10.383 -5.836 -0.782 1.00 . A A . 2 ASP N 1 1
8 3190 1 1 2 ASP O O 7.047 -5.261 -1.859 1.00 . A A . 2 ASP O 1 1
8 3191 1 1 2 ASP OD1 O 10.336 -5.827 -4.812 1.00 . A A . 2 ASP OD1 1 1
8 3192 1 1 2 ASP OD2 O 11.226 -7.519 -3.742 1.00 . A A . 2 ASP OD2 1 1
8 3193 1 1 3 B3K C C 5.340 -2.186 -0.327 1.00 . A A . 3 B3K C 1 1
8 3194 1 1 3 B3K CA C 6.664 -2.467 0.339 1.00 . A A . 3 B3K CA 1 1
8 3195 1 1 3 B3K CB C 6.878 -3.964 0.541 1.00 . A A . 3 B3K CB 1 1
8 3196 1 1 3 B3K CD C 6.882 -5.753 2.365 1.00 . A A . 3 B3K CD 1 1
8 3197 1 1 3 B3K CE C 6.701 -6.000 3.852 1.00 . A A . 3 B3K CE 1 1
8 3198 1 1 3 B3K CF C 6.674 -7.486 4.177 1.00 . A A . 3 B3K CF 1 1
8 3199 1 1 3 B3K CG C 6.873 -4.268 2.042 1.00 . A A . 3 B3K CG 1 1
8 3200 1 1 3 B3K H H 8.969 -4.218 0.356 1.00 . A A . 3 B3K H 1 1
8 3201 1 1 3 B3K HA1 H 6.679 -1.977 1.301 1.00 . A A . 3 B3K HA1 1 1
8 3202 1 1 3 B3K HA2 H 7.454 -2.069 -0.282 1.00 . A A . 3 B3K HA2 1 1
8 3203 1 1 3 B3K HB H 6.071 -4.501 0.046 1.00 . A A . 3 B3K HB 1 1
8 3204 1 1 3 B3K HD2 H 7.827 -6.174 2.052 1.00 . A A . 3 B3K HD2 1 1
8 3205 1 1 3 B3K HD3 H 6.077 -6.232 1.829 1.00 . A A . 3 B3K HD3 1 1
8 3206 1 1 3 B3K HE2 H 5.770 -5.554 4.169 1.00 . A A . 3 B3K HE2 1 1
8 3207 1 1 3 B3K HE3 H 7.520 -5.542 4.384 1.00 . A A . 3 B3K HE3 1 1
8 3208 1 1 3 B3K HF1 H 5.880 -7.950 3.610 1.00 . A A . 3 B3K HF1 1 1
8 3209 1 1 3 B3K HF2 H 6.480 -7.607 5.232 1.00 . A A . 3 B3K HF2 1 1
8 3210 1 1 3 B3K HG2 H 5.989 -3.832 2.482 1.00 . A A . 3 B3K HG2 1 1
8 3211 1 1 3 B3K HG3 H 7.746 -3.818 2.491 1.00 . A A . 3 B3K HG3 1 1
8 3212 1 1 3 B3K HNZ1 H 8.738 -7.717 4.377 1.00 . A A . 3 B3K HNZ1 1 1
8 3213 1 1 3 B3K HNZ2 H 8.158 -8.065 2.828 1.00 . A A . 3 B3K HNZ2 1 1
8 3214 1 1 3 B3K N N 8.112 -4.404 -0.080 1.00 . A A . 3 B3K N 1 1
8 3215 1 1 3 B3K NZ N 7.959 -8.153 3.844 1.00 . A A . 3 B3K NZ 1 1
8 3216 1 1 3 B3K O O 4.277 -2.530 0.200 1.00 . A A . 3 B3K O 1 1
8 3217 1 1 4 CYS C C 3.678 -2.653 -2.837 1.00 . A A . 4 CYS C 1 1
8 3218 1 1 4 CYS CA C 4.200 -1.341 -2.285 1.00 . A A . 4 CYS CA 1 1
8 3219 1 1 4 CYS CB C 4.461 -0.354 -3.429 1.00 . A A . 4 CYS CB 1 1
8 3220 1 1 4 CYS H H 6.270 -1.310 -1.867 1.00 . A A . 4 CYS H 1 1
8 3221 1 1 4 CYS HA H 3.455 -0.927 -1.623 1.00 . A A . 4 CYS HA 1 1
8 3222 1 1 4 CYS HB2 H 4.758 0.597 -3.016 1.00 . A A . 4 CYS HB2 1 1
8 3223 1 1 4 CYS HB3 H 5.258 -0.734 -4.050 1.00 . A A . 4 CYS HB3 1 1
8 3224 1 1 4 CYS N N 5.398 -1.583 -1.507 1.00 . A A . 4 CYS N 1 1
8 3225 1 1 4 CYS O O 2.544 -3.025 -2.558 1.00 . A A . 4 CYS O 1 1
8 3226 1 1 4 CYS SG S 3.012 -0.067 -4.500 1.00 . A A . 4 CYS SG 1 1
8 3227 1 1 5 LYS C C 3.484 -5.573 -3.234 1.00 . A A . 5 LYS C 1 1
8 3228 1 1 5 LYS CA C 4.131 -4.619 -4.228 1.00 . A A . 5 LYS CA 1 1
8 3229 1 1 5 LYS CB C 5.336 -5.292 -4.888 1.00 . A A . 5 LYS CB 1 1
8 3230 1 1 5 LYS CD C 7.017 -5.239 -6.748 1.00 . A A . 5 LYS CD 1 1
8 3231 1 1 5 LYS CE C 7.616 -4.409 -7.871 1.00 . A A . 5 LYS CE 1 1
8 3232 1 1 5 LYS CG C 5.983 -4.447 -5.967 1.00 . A A . 5 LYS CG 1 1
8 3233 1 1 5 LYS H H 5.450 -3.050 -3.685 1.00 . A A . 5 LYS H 1 1
8 3234 1 1 5 LYS HA H 3.407 -4.375 -4.991 1.00 . A A . 5 LYS HA 1 1
8 3235 1 1 5 LYS HB2 H 6.077 -5.500 -4.131 1.00 . A A . 5 LYS HB2 1 1
8 3236 1 1 5 LYS HB3 H 5.014 -6.222 -5.330 1.00 . A A . 5 LYS HB3 1 1
8 3237 1 1 5 LYS HD2 H 7.806 -5.543 -6.077 1.00 . A A . 5 LYS HD2 1 1
8 3238 1 1 5 LYS HD3 H 6.543 -6.113 -7.170 1.00 . A A . 5 LYS HD3 1 1
8 3239 1 1 5 LYS HE2 H 8.134 -3.566 -7.442 1.00 . A A . 5 LYS HE2 1 1
8 3240 1 1 5 LYS HE3 H 8.317 -5.021 -8.419 1.00 . A A . 5 LYS HE3 1 1
8 3241 1 1 5 LYS HG2 H 5.219 -4.102 -6.648 1.00 . A A . 5 LYS HG2 1 1
8 3242 1 1 5 LYS HG3 H 6.464 -3.598 -5.506 1.00 . A A . 5 LYS HG3 1 1
8 3243 1 1 5 LYS HZ1 H 5.867 -3.346 -8.296 1.00 . A A . 5 LYS HZ1 1 1
8 3244 1 1 5 LYS HZ2 H 6.092 -4.709 -9.269 1.00 . A A . 5 LYS HZ2 1 1
8 3245 1 1 5 LYS HZ3 H 7.006 -3.314 -9.542 1.00 . A A . 5 LYS HZ3 1 1
8 3246 1 1 5 LYS N N 4.529 -3.369 -3.577 1.00 . A A . 5 LYS N 1 1
8 3247 1 1 5 LYS NZ N 6.573 -3.911 -8.809 1.00 . A A . 5 LYS NZ 1 1
8 3248 1 1 5 LYS O O 2.312 -5.937 -3.377 1.00 . A A . 5 LYS O 1 1
8 3249 1 1 6 B3E C C 2.381 -5.801 0.631 1.00 . A A . 6 B3E C 1 1
8 3250 1 1 6 B3E CA C 3.749 -6.196 0.149 1.00 . A A . 6 B3E CA 1 1
8 3251 1 1 6 B3E CB C 3.721 -6.863 -1.222 1.00 . A A . 6 B3E CB 1 1
8 3252 1 1 6 B3E CD C 4.600 -8.928 -2.436 1.00 . A A . 6 B3E CD 1 1
8 3253 1 1 6 B3E CE C 5.443 -10.179 -2.332 1.00 . A A . 6 B3E CE 1 1
8 3254 1 1 6 B3E CG C 4.574 -8.132 -1.141 1.00 . A A . 6 B3E CG 1 1
8 3255 1 1 6 B3E H H 5.182 -5.681 -2.175 1.00 . A A . 6 B3E H 1 1
8 3256 1 1 6 B3E HA1 H 4.179 -6.881 0.863 1.00 . A A . 6 B3E HA1 1 1
8 3257 1 1 6 B3E HA2 H 4.358 -5.308 0.097 1.00 . A A . 6 B3E HA2 1 1
8 3258 1 1 6 B3E HB H 2.678 -7.081 -1.507 1.00 . A A . 6 B3E HB 1 1
8 3259 1 1 6 B3E HD2 H 5.004 -8.303 -3.220 1.00 . A A . 6 B3E HD2 1 1
8 3260 1 1 6 B3E HD3 H 3.590 -9.213 -2.688 1.00 . A A . 6 B3E HD3 1 1
8 3261 1 1 6 B3E HG2 H 4.182 -8.768 -0.362 1.00 . A A . 6 B3E HG2 1 1
8 3262 1 1 6 B3E HG3 H 5.588 -7.855 -0.893 1.00 . A A . 6 B3E HG3 1 1
8 3263 1 1 6 B3E N N 4.245 -5.983 -2.231 1.00 . A A . 6 B3E N 1 1
8 3264 1 1 6 B3E O O 1.548 -6.647 0.969 1.00 . A A . 6 B3E O 1 1
8 3265 1 1 6 B3E OF1 O 6.571 -10.189 -2.859 1.00 . A A . 6 B3E OF1 1 1
8 3266 1 1 6 B3E OF2 O 4.983 -11.162 -1.716 1.00 . A A . 6 B3E OF2 1 1
8 3267 1 1 7 LEU C C -0.194 -4.138 -0.001 1.00 . A A . 7 LEU C 1 1
8 3268 1 1 7 LEU CA C 0.862 -3.970 1.087 1.00 . A A . 7 LEU CA 1 1
8 3269 1 1 7 LEU CB C 1.006 -2.500 1.483 1.00 . A A . 7 LEU CB 1 1
8 3270 1 1 7 LEU CD1 C 2.081 -0.744 2.907 1.00 . A A . 7 LEU CD1 1 1
8 3271 1 1 7 LEU CD2 C 1.735 -3.035 3.830 1.00 . A A . 7 LEU CD2 1 1
8 3272 1 1 7 LEU CG C 2.039 -2.223 2.578 1.00 . A A . 7 LEU CG 1 1
8 3273 1 1 7 LEU H H 2.844 -3.873 0.358 1.00 . A A . 7 LEU H 1 1
8 3274 1 1 7 LEU HA H 0.556 -4.536 1.952 1.00 . A A . 7 LEU HA 1 1
8 3275 1 1 7 LEU HB2 H 1.285 -1.939 0.603 1.00 . A A . 7 LEU HB2 1 1
8 3276 1 1 7 LEU HB3 H 0.047 -2.147 1.825 1.00 . A A . 7 LEU HB3 1 1
8 3277 1 1 7 LEU HD11 H 2.338 -0.186 2.019 1.00 . A A . 7 LEU HD11 1 1
8 3278 1 1 7 LEU HD12 H 2.824 -0.568 3.671 1.00 . A A . 7 LEU HD12 1 1
8 3279 1 1 7 LEU HD13 H 1.112 -0.427 3.265 1.00 . A A . 7 LEU HD13 1 1
8 3280 1 1 7 LEU HD21 H 2.431 -2.765 4.611 1.00 . A A . 7 LEU HD21 1 1
8 3281 1 1 7 LEU HD22 H 1.834 -4.088 3.612 1.00 . A A . 7 LEU HD22 1 1
8 3282 1 1 7 LEU HD23 H 0.728 -2.828 4.158 1.00 . A A . 7 LEU HD23 1 1
8 3283 1 1 7 LEU HG H 3.017 -2.512 2.223 1.00 . A A . 7 LEU HG 1 1
8 3284 1 1 7 LEU N N 2.138 -4.498 0.647 1.00 . A A . 7 LEU N 1 1
8 3285 1 1 7 LEU O O -1.292 -4.618 0.275 1.00 . A A . 7 LEU O 1 1
8 3286 1 1 8 LYS C C -1.306 -5.298 -2.453 1.00 . A A . 8 LYS C 1 1
8 3287 1 1 8 LYS CA C -0.760 -3.883 -2.371 1.00 . A A . 8 LYS CA 1 1
8 3288 1 1 8 LYS CB C -0.047 -3.505 -3.670 1.00 . A A . 8 LYS CB 1 1
8 3289 1 1 8 LYS CD C -0.166 -2.997 -6.109 1.00 . A A . 8 LYS CD 1 1
8 3290 1 1 8 LYS CE C -1.066 -2.757 -7.306 1.00 . A A . 8 LYS CE 1 1
8 3291 1 1 8 LYS CG C -0.958 -3.387 -4.875 1.00 . A A . 8 LYS CG 1 1
8 3292 1 1 8 LYS H H 1.061 -3.420 -1.394 1.00 . A A . 8 LYS H 1 1
8 3293 1 1 8 LYS HA H -1.576 -3.202 -2.205 1.00 . A A . 8 LYS HA 1 1
8 3294 1 1 8 LYS HB2 H 0.446 -2.555 -3.529 1.00 . A A . 8 LYS HB2 1 1
8 3295 1 1 8 LYS HB3 H 0.700 -4.254 -3.887 1.00 . A A . 8 LYS HB3 1 1
8 3296 1 1 8 LYS HD2 H 0.384 -2.092 -5.901 1.00 . A A . 8 LYS HD2 1 1
8 3297 1 1 8 LYS HD3 H 0.527 -3.792 -6.346 1.00 . A A . 8 LYS HD3 1 1
8 3298 1 1 8 LYS HE2 H -1.619 -3.662 -7.512 1.00 . A A . 8 LYS HE2 1 1
8 3299 1 1 8 LYS HE3 H -1.755 -1.962 -7.070 1.00 . A A . 8 LYS HE3 1 1
8 3300 1 1 8 LYS HG2 H -1.438 -4.339 -5.046 1.00 . A A . 8 LYS HG2 1 1
8 3301 1 1 8 LYS HG3 H -1.705 -2.631 -4.679 1.00 . A A . 8 LYS HG3 1 1
8 3302 1 1 8 LYS HZ1 H -0.927 -2.170 -9.307 1.00 . A A . 8 LYS HZ1 1 1
8 3303 1 1 8 LYS HZ2 H 0.343 -3.161 -8.792 1.00 . A A . 8 LYS HZ2 1 1
8 3304 1 1 8 LYS HZ3 H 0.292 -1.538 -8.318 1.00 . A A . 8 LYS HZ3 1 1
8 3305 1 1 8 LYS N N 0.157 -3.772 -1.237 1.00 . A A . 8 LYS N 1 1
8 3306 1 1 8 LYS NZ N -0.286 -2.381 -8.515 1.00 . A A . 8 LYS NZ 1 1
8 3307 1 1 8 LYS O O -2.519 -5.509 -2.516 1.00 . A A . 8 LYS O 1 1
8 3308 1 1 9 B3K C C -1.098 -8.698 -0.177 1.00 . A A . 9 B3K C 1 1
8 3309 1 1 9 B3K CA C -0.140 -8.401 -1.304 1.00 . A A . 9 B3K CA 1 1
8 3310 1 1 9 B3K CB C -0.785 -7.653 -2.473 1.00 . A A . 9 B3K CB 1 1
8 3311 1 1 9 B3K CD C -0.845 -7.697 -5.044 1.00 . A A . 9 B3K CD 1 1
8 3312 1 1 9 B3K CE C -2.360 -7.783 -5.099 1.00 . A A . 9 B3K CE 1 1
8 3313 1 1 9 B3K CF C -2.904 -7.248 -6.413 1.00 . A A . 9 B3K CF 1 1
8 3314 1 1 9 B3K CG C -0.294 -8.320 -3.768 1.00 . A A . 9 B3K CG 1 1
8 3315 1 1 9 B3K H H 0.557 -6.030 -2.453 1.00 . A A . 9 B3K H 1 1
8 3316 1 1 9 B3K HA1 H 0.256 -9.337 -1.667 1.00 . A A . 9 B3K HA1 1 1
8 3317 1 1 9 B3K HA2 H 0.669 -7.805 -0.907 1.00 . A A . 9 B3K HA2 1 1
8 3318 1 1 9 B3K HB H -1.885 -7.678 -2.375 1.00 . A A . 9 B3K HB 1 1
8 3319 1 1 9 B3K HD2 H -0.433 -8.221 -5.895 1.00 . A A . 9 B3K HD2 1 1
8 3320 1 1 9 B3K HD3 H -0.553 -6.658 -5.083 1.00 . A A . 9 B3K HD3 1 1
8 3321 1 1 9 B3K HE2 H -2.774 -7.204 -4.287 1.00 . A A . 9 B3K HE2 1 1
8 3322 1 1 9 B3K HE3 H -2.656 -8.816 -4.993 1.00 . A A . 9 B3K HE3 1 1
8 3323 1 1 9 B3K HF1 H -2.553 -7.878 -7.217 1.00 . A A . 9 B3K HF1 1 1
8 3324 1 1 9 B3K HF2 H -2.538 -6.243 -6.558 1.00 . A A . 9 B3K HF2 1 1
8 3325 1 1 9 B3K HG2 H -0.580 -9.361 -3.752 1.00 . A A . 9 B3K HG2 1 1
8 3326 1 1 9 B3K HG3 H 0.783 -8.255 -3.803 1.00 . A A . 9 B3K HG3 1 1
8 3327 1 1 9 B3K HNZ1 H -4.747 -6.554 -5.721 1.00 . A A . 9 B3K HNZ1 1 1
8 3328 1 1 9 B3K HNZ2 H -4.768 -8.171 -6.215 1.00 . A A . 9 B3K HNZ2 1 1
8 3329 1 1 9 B3K N N -0.401 -6.267 -2.454 1.00 . A A . 9 B3K N 1 1
8 3330 1 1 9 B3K NZ N -4.391 -7.225 -6.431 1.00 . A A . 9 B3K NZ 1 1
8 3331 1 1 9 B3K O O -1.850 -9.674 -0.216 1.00 . A A . 9 B3K O 1 1
8 3332 1 1 10 ARG C C -3.290 -7.467 1.831 1.00 . A A . 10 ARG C 1 1
8 3333 1 1 10 ARG CA C -1.887 -8.024 2.034 1.00 . A A . 10 ARG CA 1 1
8 3334 1 1 10 ARG CB C -1.239 -7.343 3.242 1.00 . A A . 10 ARG CB 1 1
8 3335 1 1 10 ARG CD C 0.168 -9.361 3.750 1.00 . A A . 10 ARG CD 1 1
8 3336 1 1 10 ARG CG C 0.156 -7.854 3.562 1.00 . A A . 10 ARG CG 1 1
8 3337 1 1 10 ARG CZ C 1.830 -11.160 4.023 1.00 . A A . 10 ARG CZ 1 1
8 3338 1 1 10 ARG H H -0.439 -7.083 0.806 1.00 . A A . 10 ARG H 1 1
8 3339 1 1 10 ARG HA H -1.963 -9.079 2.229 1.00 . A A . 10 ARG HA 1 1
8 3340 1 1 10 ARG HB2 H -1.174 -6.281 3.051 1.00 . A A . 10 ARG HB2 1 1
8 3341 1 1 10 ARG HB3 H -1.864 -7.504 4.106 1.00 . A A . 10 ARG HB3 1 1
8 3342 1 1 10 ARG HD2 H -0.472 -9.614 4.582 1.00 . A A . 10 ARG HD2 1 1
8 3343 1 1 10 ARG HD3 H -0.212 -9.825 2.852 1.00 . A A . 10 ARG HD3 1 1
8 3344 1 1 10 ARG HE H 2.215 -9.203 4.197 1.00 . A A . 10 ARG HE 1 1
8 3345 1 1 10 ARG HG2 H 0.821 -7.599 2.751 1.00 . A A . 10 ARG HG2 1 1
8 3346 1 1 10 ARG HG3 H 0.499 -7.386 4.472 1.00 . A A . 10 ARG HG3 1 1
8 3347 1 1 10 ARG HH11 H 1.142 -13.058 3.794 1.00 . A A . 10 ARG HH11 1 1
8 3348 1 1 10 ARG HH12 H -0.047 -11.808 3.605 1.00 . A A . 10 ARG HH12 1 1
8 3349 1 1 10 ARG HH21 H 3.325 -12.501 4.285 1.00 . A A . 10 ARG HH21 1 1
8 3350 1 1 10 ARG HH22 H 3.781 -10.835 4.461 1.00 . A A . 10 ARG HH22 1 1
8 3351 1 1 10 ARG N N -1.059 -7.848 0.846 1.00 . A A . 10 ARG N 1 1
8 3352 1 1 10 ARG NE N 1.511 -9.867 4.011 1.00 . A A . 10 ARG NE 1 1
8 3353 1 1 10 ARG NH1 N 0.900 -12.082 3.786 1.00 . A A . 10 ARG NH1 1 1
8 3354 1 1 10 ARG NH2 N 3.078 -11.526 4.275 1.00 . A A . 10 ARG NH2 1 1
8 3355 1 1 10 ARG O O -4.280 -8.108 2.190 1.00 . A A . 10 ARG O 1 1
8 3356 1 1 11 TYR C C -5.356 -6.035 -0.195 1.00 . A A . 11 TYR C 1 1
8 3357 1 1 11 TYR CA C -4.642 -5.586 1.079 1.00 . A A . 11 TYR CA 1 1
8 3358 1 1 11 TYR CB C -4.402 -4.077 1.057 1.00 . A A . 11 TYR CB 1 1
8 3359 1 1 11 TYR CD1 C -4.508 -3.729 3.561 1.00 . A A . 11 TYR CD1 1 1
8 3360 1 1 11 TYR CD2 C -2.662 -2.802 2.371 1.00 . A A . 11 TYR CD2 1 1
8 3361 1 1 11 TYR CE1 C -4.002 -3.225 4.744 1.00 . A A . 11 TYR CE1 1 1
8 3362 1 1 11 TYR CE2 C -2.152 -2.296 3.550 1.00 . A A . 11 TYR CE2 1 1
8 3363 1 1 11 TYR CG C -3.846 -3.528 2.354 1.00 . A A . 11 TYR CG 1 1
8 3364 1 1 11 TYR CZ C -2.823 -2.509 4.733 1.00 . A A . 11 TYR CZ 1 1
8 3365 1 1 11 TYR H H -2.555 -5.861 0.897 1.00 . A A . 11 TYR H 1 1
8 3366 1 1 11 TYR HA H -5.261 -5.830 1.929 1.00 . A A . 11 TYR HA 1 1
8 3367 1 1 11 TYR HB2 H -3.697 -3.849 0.275 1.00 . A A . 11 TYR HB2 1 1
8 3368 1 1 11 TYR HB3 H -5.331 -3.574 0.852 1.00 . A A . 11 TYR HB3 1 1
8 3369 1 1 11 TYR HD1 H -5.429 -4.292 3.567 1.00 . A A . 11 TYR HD1 1 1
8 3370 1 1 11 TYR HD2 H -2.135 -2.636 1.443 1.00 . A A . 11 TYR HD2 1 1
8 3371 1 1 11 TYR HE1 H -4.529 -3.391 5.670 1.00 . A A . 11 TYR HE1 1 1
8 3372 1 1 11 TYR HE2 H -1.230 -1.734 3.541 1.00 . A A . 11 TYR HE2 1 1
8 3373 1 1 11 TYR HH H -2.301 -2.708 6.573 1.00 . A A . 11 TYR HH 1 1
8 3374 1 1 11 TYR N N -3.372 -6.283 1.242 1.00 . A A . 11 TYR N 1 1
8 3375 1 1 11 TYR O O -5.890 -5.217 -0.949 1.00 . A A . 11 TYR O 1 1
8 3376 1 1 11 TYR OH O -2.314 -2.008 5.909 1.00 . A A . 11 TYR OH 1 1
8 3377 1 1 12 ABA C C -7.426 -7.484 -1.799 1.00 . A A . 12 AIB C 1 1
8 3378 1 1 12 ABA CA C -5.989 -7.977 -1.578 1.00 . A A . 12 AIB CA 1 1
8 3379 1 1 12 ABA H H -4.995 -7.932 0.294 1.00 . A A . 12 AIB H 1 1
8 3380 1 1 12 ABA N N -5.391 -7.353 -0.390 1.00 . A A . 12 AIB N 1 1
8 3381 1 1 12 ABA O O -7.891 -7.392 -2.937 1.00 . A A . 12 AIB O 1 1
8 3382 1 1 13 GLY C C -9.705 -5.313 -0.337 1.00 . A A . 13 GLY C 1 1
8 3383 1 1 13 GLY CA C -9.499 -6.731 -0.831 1.00 . A A . 13 GLY CA 1 1
8 3384 1 1 13 GLY H H -7.709 -7.257 0.169 1.00 . A A . 13 GLY H 1 1
8 3385 1 1 13 GLY HA2 H -9.794 -6.785 -1.868 1.00 . A A . 13 GLY HA2 1 1
8 3386 1 1 13 GLY HA3 H -10.125 -7.394 -0.256 1.00 . A A . 13 GLY HA3 1 1
8 3387 1 1 13 GLY N N -8.126 -7.177 -0.715 1.00 . A A . 13 GLY N 1 1
8 3388 1 1 13 GLY O O -10.778 -4.976 0.167 1.00 . A A . 13 GLY O 1 1
8 3389 1 1 14 CYS C C -8.006 -2.186 -0.980 1.00 . A A . 14 CYS C 1 1
8 3390 1 1 14 CYS CA C -8.752 -3.102 -0.012 1.00 . A A . 14 CYS CA 1 1
8 3391 1 1 14 CYS CB C -8.146 -3.025 1.391 1.00 . A A . 14 CYS CB 1 1
8 3392 1 1 14 CYS H H -7.853 -4.801 -0.902 1.00 . A A . 14 CYS H 1 1
8 3393 1 1 14 CYS HA H -9.789 -2.808 0.027 1.00 . A A . 14 CYS HA 1 1
8 3394 1 1 14 CYS HB2 H -8.724 -3.647 2.058 1.00 . A A . 14 CYS HB2 1 1
8 3395 1 1 14 CYS HB3 H -7.137 -3.396 1.353 1.00 . A A . 14 CYS HB3 1 1
8 3396 1 1 14 CYS N N -8.684 -4.481 -0.479 1.00 . A A . 14 CYS N 1 1
8 3397 1 1 14 CYS O O -7.055 -2.617 -1.632 1.00 . A A . 14 CYS O 1 1
8 3398 1 1 14 CYS SG S -8.094 -1.359 2.114 1.00 . A A . 14 CYS SG 1 1
8 3399 1 1 15 GLU C C -6.461 0.444 -1.435 1.00 . A A . 15 GLU C 1 1
8 3400 1 1 15 GLU CA C -7.808 0.016 -1.997 1.00 . A A . 15 GLU CA 1 1
8 3401 1 1 15 GLU CB C -8.694 1.246 -2.211 1.00 . A A . 15 GLU CB 1 1
8 3402 1 1 15 GLU CD C -9.752 0.480 -4.370 1.00 . A A . 15 GLU CD 1 1
8 3403 1 1 15 GLU CG C -9.986 0.952 -2.949 1.00 . A A . 15 GLU CG 1 1
8 3404 1 1 15 GLU H H -9.188 -0.624 -0.518 1.00 . A A . 15 GLU H 1 1
8 3405 1 1 15 GLU HA H -7.657 -0.481 -2.943 1.00 . A A . 15 GLU HA 1 1
8 3406 1 1 15 GLU HB2 H -8.944 1.667 -1.248 1.00 . A A . 15 GLU HB2 1 1
8 3407 1 1 15 GLU HB3 H -8.140 1.979 -2.780 1.00 . A A . 15 GLU HB3 1 1
8 3408 1 1 15 GLU HG2 H -10.522 0.183 -2.415 1.00 . A A . 15 GLU HG2 1 1
8 3409 1 1 15 GLU HG3 H -10.582 1.852 -2.976 1.00 . A A . 15 GLU HG3 1 1
8 3410 1 1 15 GLU N N -8.444 -0.931 -1.087 1.00 . A A . 15 GLU N 1 1
8 3411 1 1 15 GLU O O -6.377 0.827 -0.272 1.00 . A A . 15 GLU O 1 1
8 3412 1 1 15 GLU OE1 O -9.386 1.311 -5.229 1.00 . A A . 15 GLU OE1 1 1
8 3413 1 1 15 GLU OE2 O -9.941 -0.723 -4.640 1.00 . A A . 15 GLU OE2 1 1
8 3414 1 1 16 MVA C C -3.077 1.212 -2.794 1.00 . A A . 16 MVA C 1 1
8 3415 1 1 16 MVA CA C -4.053 0.733 -1.714 1.00 . A A . 16 MVA CA 1 1
8 3416 1 1 16 MVA CB C -3.437 -0.461 -0.935 1.00 . A A . 16 MVA CB 1 1
8 3417 1 1 16 MVA CG1 C -3.438 -1.737 -1.762 1.00 . A A . 16 MVA CG1 1 1
8 3418 1 1 16 MVA CG2 C -2.026 -0.127 -0.466 1.00 . A A . 16 MVA CG2 1 1
8 3419 1 1 16 MVA CN C -5.560 0.040 -3.664 1.00 . A A . 16 MVA CN 1 1
8 3420 1 1 16 MVA HA H -4.153 1.543 -1.004 1.00 . A A . 16 MVA HA 1 1
8 3421 1 1 16 MVA HB H -4.043 -0.637 -0.058 1.00 . A A . 16 MVA HB 1 1
8 3422 1 1 16 MVA HG11 H -3.009 -2.538 -1.183 1.00 . A A . 16 MVA HG11 1 1
8 3423 1 1 16 MVA HG12 H -2.854 -1.585 -2.657 1.00 . A A . 16 MVA HG12 1 1
8 3424 1 1 16 MVA HG13 H -4.454 -1.989 -2.032 1.00 . A A . 16 MVA HG13 1 1
8 3425 1 1 16 MVA HG21 H -2.055 0.739 0.180 1.00 . A A . 16 MVA HG21 1 1
8 3426 1 1 16 MVA HG22 H -1.402 0.084 -1.323 1.00 . A A . 16 MVA HG22 1 1
8 3427 1 1 16 MVA HG23 H -1.619 -0.967 0.077 1.00 . A A . 16 MVA HG23 1 1
8 3428 1 1 16 MVA HN1 H -6.356 0.631 -4.091 1.00 . A A . 16 MVA HN1 1 1
8 3429 1 1 16 MVA HN2 H -5.805 -1.009 -3.745 1.00 . A A . 16 MVA HN2 1 1
8 3430 1 1 16 MVA HN3 H -4.643 0.237 -4.198 1.00 . A A . 16 MVA HN3 1 1
8 3431 1 1 16 MVA N N -5.388 0.399 -2.239 1.00 . A A . 16 MVA N 1 1
8 3432 1 1 16 MVA O O -2.622 0.453 -3.655 1.00 . A A . 16 MVA O 1 1
8 3433 1 1 17 ARG C C -0.527 3.433 -2.891 1.00 . A A . 17 ARG C 1 1
8 3434 1 1 17 ARG CA C -1.809 3.103 -3.637 1.00 . A A . 17 ARG CA 1 1
8 3435 1 1 17 ARG CB C -2.402 4.366 -4.261 1.00 . A A . 17 ARG CB 1 1
8 3436 1 1 17 ARG CD C -4.135 5.379 -5.773 1.00 . A A . 17 ARG CD 1 1
8 3437 1 1 17 ARG CG C -3.627 4.103 -5.121 1.00 . A A . 17 ARG CG 1 1
8 3438 1 1 17 ARG CZ C -5.594 5.867 -7.702 1.00 . A A . 17 ARG CZ 1 1
8 3439 1 1 17 ARG H H -3.144 3.036 -2.003 1.00 . A A . 17 ARG H 1 1
8 3440 1 1 17 ARG HA H -1.586 2.389 -4.415 1.00 . A A . 17 ARG HA 1 1
8 3441 1 1 17 ARG HB2 H -2.683 5.045 -3.470 1.00 . A A . 17 ARG HB2 1 1
8 3442 1 1 17 ARG HB3 H -1.651 4.837 -4.876 1.00 . A A . 17 ARG HB3 1 1
8 3443 1 1 17 ARG HD2 H -4.409 6.079 -4.998 1.00 . A A . 17 ARG HD2 1 1
8 3444 1 1 17 ARG HD3 H -3.341 5.802 -6.373 1.00 . A A . 17 ARG HD3 1 1
8 3445 1 1 17 ARG HE H -5.899 4.397 -6.380 1.00 . A A . 17 ARG HE 1 1
8 3446 1 1 17 ARG HG2 H -3.366 3.394 -5.893 1.00 . A A . 17 ARG HG2 1 1
8 3447 1 1 17 ARG HG3 H -4.407 3.690 -4.498 1.00 . A A . 17 ARG HG3 1 1
8 3448 1 1 17 ARG HH11 H -3.991 7.096 -7.527 1.00 . A A . 17 ARG HH11 1 1
8 3449 1 1 17 ARG HH12 H -5.033 7.430 -8.870 1.00 . A A . 17 ARG HH12 1 1
8 3450 1 1 17 ARG HH21 H -6.902 6.129 -9.230 1.00 . A A . 17 ARG HH21 1 1
8 3451 1 1 17 ARG HH22 H -7.279 4.828 -8.144 1.00 . A A . 17 ARG HH22 1 1
8 3452 1 1 17 ARG N N -2.753 2.491 -2.722 1.00 . A A . 17 ARG N 1 1
8 3453 1 1 17 ARG NE N -5.299 5.140 -6.628 1.00 . A A . 17 ARG NE 1 1
8 3454 1 1 17 ARG NH1 N -4.808 6.878 -8.062 1.00 . A A . 17 ARG NH1 1 1
8 3455 1 1 17 ARG NH2 N -6.675 5.585 -8.416 1.00 . A A . 17 ARG NH2 1 1
8 3456 1 1 17 ARG O O -0.518 3.499 -1.663 1.00 . A A . 17 ARG O 1 1
8 3457 1 1 18 CYS C C 2.603 4.998 -3.658 1.00 . A A . 18 CYS C 1 1
8 3458 1 1 18 CYS CA C 1.838 3.859 -2.991 1.00 . A A . 18 CYS CA 1 1
8 3459 1 1 18 CYS CB C 2.659 2.572 -3.042 1.00 . A A . 18 CYS CB 1 1
8 3460 1 1 18 CYS H H 0.479 3.643 -4.598 1.00 . A A . 18 CYS H 1 1
8 3461 1 1 18 CYS HA H 1.658 4.115 -1.957 1.00 . A A . 18 CYS HA 1 1
8 3462 1 1 18 CYS HB2 H 3.621 2.746 -2.583 1.00 . A A . 18 CYS HB2 1 1
8 3463 1 1 18 CYS HB3 H 2.134 1.805 -2.493 1.00 . A A . 18 CYS HB3 1 1
8 3464 1 1 18 CYS N N 0.550 3.640 -3.620 1.00 . A A . 18 CYS N 1 1
8 3465 1 1 18 CYS O O 2.656 5.096 -4.888 1.00 . A A . 18 CYS O 1 1
8 3466 1 1 18 CYS SG S 2.952 1.947 -4.728 1.00 . A A . 18 CYS SG 1 1
8 3467 1 1 19 ASP C C 5.352 6.886 -2.545 1.00 . A A . 19 ASP C 1 1
8 3468 1 1 19 ASP CA C 4.031 6.938 -3.302 1.00 . A A . 19 ASP CA 1 1
8 3469 1 1 19 ASP CB C 3.347 8.292 -3.083 1.00 . A A . 19 ASP CB 1 1
8 3470 1 1 19 ASP CG C 4.148 9.451 -3.648 1.00 . A A . 19 ASP CG 1 1
8 3471 1 1 19 ASP H H 3.052 5.746 -1.868 1.00 . A A . 19 ASP H 1 1
8 3472 1 1 19 ASP HA H 4.217 6.793 -4.356 1.00 . A A . 19 ASP HA 1 1
8 3473 1 1 19 ASP HB2 H 2.379 8.279 -3.562 1.00 . A A . 19 ASP HB2 1 1
8 3474 1 1 19 ASP HB3 H 3.215 8.452 -2.023 1.00 . A A . 19 ASP HB3 1 1
8 3475 1 1 19 ASP N N 3.185 5.853 -2.835 1.00 . A A . 19 ASP N 1 1
8 3476 1 1 19 ASP O O 5.507 7.526 -1.504 1.00 . A A . 19 ASP O 1 1
8 3477 1 1 19 ASP OD1 O 4.931 10.060 -2.890 1.00 . A A . 19 ASP OD1 1 1
8 3478 1 1 19 ASP OD2 O 4.010 9.754 -4.852 1.00 . A A . 19 ASP OD2 1 1
8 3479 1 1 20 DPR C C 7.358 5.254 -0.971 1.00 . A A . 20 DPR C 1 1
8 3480 1 1 20 DPR CA C 7.581 5.863 -2.354 1.00 . A A . 20 DPR CA 1 1
8 3481 1 1 20 DPR CB C 8.324 4.876 -3.255 1.00 . A A . 20 DPR CB 1 1
8 3482 1 1 20 DPR CD C 6.247 5.377 -4.326 1.00 . A A . 20 DPR CD 1 1
8 3483 1 1 20 DPR CG C 7.678 5.009 -4.589 1.00 . A A . 20 DPR CG 1 1
8 3484 1 1 20 DPR HA H 8.159 6.766 -2.262 1.00 . A A . 20 DPR HA 1 1
8 3485 1 1 20 DPR HB2 H 8.213 3.876 -2.864 1.00 . A A . 20 DPR HB2 1 1
8 3486 1 1 20 DPR HB3 H 9.369 5.139 -3.294 1.00 . A A . 20 DPR HB3 1 1
8 3487 1 1 20 DPR HD2 H 5.637 4.491 -4.238 1.00 . A A . 20 DPR HD2 1 1
8 3488 1 1 20 DPR HD3 H 5.875 6.018 -5.109 1.00 . A A . 20 DPR HD3 1 1
8 3489 1 1 20 DPR HG2 H 7.731 4.070 -5.117 1.00 . A A . 20 DPR HG2 1 1
8 3490 1 1 20 DPR HG3 H 8.167 5.786 -5.157 1.00 . A A . 20 DPR HG3 1 1
8 3491 1 1 20 DPR N N 6.313 6.097 -3.046 1.00 . A A . 20 DPR N 1 1
8 3492 1 1 20 DPR O O 6.830 4.146 -0.849 1.00 . A A . 20 DPR O 1 1
8 3493 1 1 21 PRO C C 6.163 5.819 1.991 1.00 . A A . 21 PRO C 1 1
8 3494 1 1 21 PRO CA C 7.567 5.526 1.464 1.00 . A A . 21 PRO CA 1 1
8 3495 1 1 21 PRO CB C 8.603 6.347 2.224 1.00 . A A . 21 PRO CB 1 1
8 3496 1 1 21 PRO CD C 8.440 7.277 0.020 1.00 . A A . 21 PRO CD 1 1
8 3497 1 1 21 PRO CG C 8.683 7.627 1.465 1.00 . A A . 21 PRO CG 1 1
8 3498 1 1 21 PRO HA H 7.784 4.475 1.573 1.00 . A A . 21 PRO HA 1 1
8 3499 1 1 21 PRO HB2 H 8.269 6.506 3.239 1.00 . A A . 21 PRO HB2 1 1
8 3500 1 1 21 PRO HB3 H 9.551 5.830 2.225 1.00 . A A . 21 PRO HB3 1 1
8 3501 1 1 21 PRO HD2 H 7.810 8.017 -0.448 1.00 . A A . 21 PRO HD2 1 1
8 3502 1 1 21 PRO HD3 H 9.376 7.189 -0.509 1.00 . A A . 21 PRO HD3 1 1
8 3503 1 1 21 PRO HG2 H 7.924 8.310 1.817 1.00 . A A . 21 PRO HG2 1 1
8 3504 1 1 21 PRO HG3 H 9.663 8.063 1.584 1.00 . A A . 21 PRO HG3 1 1
8 3505 1 1 21 PRO N N 7.753 5.974 0.086 1.00 . A A . 21 PRO N 1 1
8 3506 1 1 21 PRO O O 5.841 5.500 3.136 1.00 . A A . 21 PRO O 1 1
8 3507 1 1 22 ARG C C 2.997 5.756 0.996 1.00 . A A . 22 ARG C 1 1
8 3508 1 1 22 ARG CA C 3.973 6.771 1.558 1.00 . A A . 22 ARG CA 1 1
8 3509 1 1 22 ARG CB C 3.592 8.174 1.083 1.00 . A A . 22 ARG CB 1 1
8 3510 1 1 22 ARG CD C 4.726 9.267 3.041 1.00 . A A . 22 ARG CD 1 1
8 3511 1 1 22 ARG CG C 4.558 9.253 1.532 1.00 . A A . 22 ARG CG 1 1
8 3512 1 1 22 ARG CZ C 6.328 10.224 4.654 1.00 . A A . 22 ARG CZ 1 1
8 3513 1 1 22 ARG H H 5.636 6.661 0.248 1.00 . A A . 22 ARG H 1 1
8 3514 1 1 22 ARG HA H 3.926 6.737 2.636 1.00 . A A . 22 ARG HA 1 1
8 3515 1 1 22 ARG HB2 H 3.561 8.177 0.004 1.00 . A A . 22 ARG HB2 1 1
8 3516 1 1 22 ARG HB3 H 2.611 8.418 1.463 1.00 . A A . 22 ARG HB3 1 1
8 3517 1 1 22 ARG HD2 H 3.779 9.514 3.497 1.00 . A A . 22 ARG HD2 1 1
8 3518 1 1 22 ARG HD3 H 5.035 8.283 3.365 1.00 . A A . 22 ARG HD3 1 1
8 3519 1 1 22 ARG HE H 5.968 10.946 2.821 1.00 . A A . 22 ARG HE 1 1
8 3520 1 1 22 ARG HG2 H 5.520 9.073 1.075 1.00 . A A . 22 ARG HG2 1 1
8 3521 1 1 22 ARG HG3 H 4.180 10.212 1.212 1.00 . A A . 22 ARG HG3 1 1
8 3522 1 1 22 ARG HH11 H 6.479 9.268 6.440 1.00 . A A . 22 ARG HH11 1 1
8 3523 1 1 22 ARG HH12 H 5.341 8.580 5.326 1.00 . A A . 22 ARG HH12 1 1
8 3524 1 1 22 ARG HH21 H 7.694 11.137 5.841 1.00 . A A . 22 ARG HH21 1 1
8 3525 1 1 22 ARG HH22 H 7.471 11.857 4.277 1.00 . A A . 22 ARG HH22 1 1
8 3526 1 1 22 ARG N N 5.332 6.436 1.159 1.00 . A A . 22 ARG N 1 1
8 3527 1 1 22 ARG NE N 5.727 10.241 3.465 1.00 . A A . 22 ARG NE 1 1
8 3528 1 1 22 ARG NH1 N 6.026 9.282 5.545 1.00 . A A . 22 ARG NH1 1 1
8 3529 1 1 22 ARG NH2 N 7.237 11.146 4.948 1.00 . A A . 22 ARG NH2 1 1
8 3530 1 1 22 ARG O O 3.167 5.272 -0.123 1.00 . A A . 22 ARG O 1 1
8 3531 1 1 23 TYR C C -0.409 4.904 1.674 1.00 . A A . 23 TYR C 1 1
8 3532 1 1 23 TYR CA C 1.004 4.437 1.363 1.00 . A A . 23 TYR CA 1 1
8 3533 1 1 23 TYR CB C 1.271 3.108 2.067 1.00 . A A . 23 TYR CB 1 1
8 3534 1 1 23 TYR CD1 C 3.640 2.725 2.834 1.00 . A A . 23 TYR CD1 1 1
8 3535 1 1 23 TYR CD2 C 3.016 1.946 0.672 1.00 . A A . 23 TYR CD2 1 1
8 3536 1 1 23 TYR CE1 C 4.919 2.243 2.643 1.00 . A A . 23 TYR CE1 1 1
8 3537 1 1 23 TYR CE2 C 4.293 1.463 0.473 1.00 . A A . 23 TYR CE2 1 1
8 3538 1 1 23 TYR CG C 2.669 2.582 1.854 1.00 . A A . 23 TYR CG 1 1
8 3539 1 1 23 TYR CZ C 5.241 1.613 1.462 1.00 . A A . 23 TYR CZ 1 1
8 3540 1 1 23 TYR H H 1.877 5.871 2.641 1.00 . A A . 23 TYR H 1 1
8 3541 1 1 23 TYR HA H 1.100 4.293 0.298 1.00 . A A . 23 TYR HA 1 1
8 3542 1 1 23 TYR HB2 H 1.121 3.234 3.128 1.00 . A A . 23 TYR HB2 1 1
8 3543 1 1 23 TYR HB3 H 0.578 2.368 1.695 1.00 . A A . 23 TYR HB3 1 1
8 3544 1 1 23 TYR HD1 H 3.384 3.220 3.759 1.00 . A A . 23 TYR HD1 1 1
8 3545 1 1 23 TYR HD2 H 2.271 1.833 -0.102 1.00 . A A . 23 TYR HD2 1 1
8 3546 1 1 23 TYR HE1 H 5.661 2.365 3.417 1.00 . A A . 23 TYR HE1 1 1
8 3547 1 1 23 TYR HE2 H 4.543 0.972 -0.451 1.00 . A A . 23 TYR HE2 1 1
8 3548 1 1 23 TYR HH H 6.784 0.631 2.056 1.00 . A A . 23 TYR HH 1 1
8 3549 1 1 23 TYR N N 1.979 5.430 1.771 1.00 . A A . 23 TYR N 1 1
8 3550 1 1 23 TYR O O -0.712 5.303 2.800 1.00 . A A . 23 TYR O 1 1
8 3551 1 1 23 TYR OH O 6.513 1.124 1.270 1.00 . A A . 23 TYR OH 1 1
8 3552 1 1 24 GLU C C -3.476 3.888 0.844 1.00 . A A . 24 GLU C 1 1
8 3553 1 1 24 GLU CA C -2.663 5.173 0.836 1.00 . A A . 24 GLU CA 1 1
8 3554 1 1 24 GLU CB C -3.149 6.093 -0.285 1.00 . A A . 24 GLU CB 1 1
8 3555 1 1 24 GLU CD C -3.462 8.080 1.222 1.00 . A A . 24 GLU CD 1 1
8 3556 1 1 24 GLU CG C -2.827 7.557 -0.048 1.00 . A A . 24 GLU CG 1 1
8 3557 1 1 24 GLU H H -0.939 4.570 -0.214 1.00 . A A . 24 GLU H 1 1
8 3558 1 1 24 GLU HA H -2.780 5.673 1.783 1.00 . A A . 24 GLU HA 1 1
8 3559 1 1 24 GLU HB2 H -2.684 5.791 -1.211 1.00 . A A . 24 GLU HB2 1 1
8 3560 1 1 24 GLU HB3 H -4.218 5.993 -0.380 1.00 . A A . 24 GLU HB3 1 1
8 3561 1 1 24 GLU HG2 H -1.755 7.670 0.029 1.00 . A A . 24 GLU HG2 1 1
8 3562 1 1 24 GLU HG3 H -3.192 8.134 -0.884 1.00 . A A . 24 GLU HG3 1 1
8 3563 1 1 24 GLU N N -1.260 4.854 0.670 1.00 . A A . 24 GLU N 1 1
8 3564 1 1 24 GLU O O -3.391 3.102 -0.092 1.00 . A A . 24 GLU O 1 1
8 3565 1 1 24 GLU OE1 O -4.712 8.082 1.316 1.00 . A A . 24 GLU OE1 1 1
8 3566 1 1 24 GLU OE2 O -2.719 8.500 2.135 1.00 . A A . 24 GLU OE2 1 1
8 3567 1 1 25 MVA C C -6.428 2.592 2.563 1.00 . A A . 25 MVA C 1 1
8 3568 1 1 25 MVA CA C -5.027 2.389 1.978 1.00 . A A . 25 MVA CA 1 1
8 3569 1 1 25 MVA CB C -4.251 1.293 2.770 1.00 . A A . 25 MVA CB 1 1
8 3570 1 1 25 MVA CG1 C -3.873 1.739 4.176 1.00 . A A . 25 MVA CG1 1 1
8 3571 1 1 25 MVA CG2 C -5.054 0.006 2.820 1.00 . A A . 25 MVA CG2 1 1
8 3572 1 1 25 MVA CN C -4.428 4.687 2.934 1.00 . A A . 25 MVA CN 1 1
8 3573 1 1 25 MVA HA H -5.166 2.002 0.976 1.00 . A A . 25 MVA HA 1 1
8 3574 1 1 25 MVA HB H -3.334 1.087 2.235 1.00 . A A . 25 MVA HB 1 1
8 3575 1 1 25 MVA HG11 H -3.366 0.932 4.685 1.00 . A A . 25 MVA HG11 1 1
8 3576 1 1 25 MVA HG12 H -4.766 2.005 4.721 1.00 . A A . 25 MVA HG12 1 1
8 3577 1 1 25 MVA HG13 H -3.218 2.596 4.117 1.00 . A A . 25 MVA HG13 1 1
8 3578 1 1 25 MVA HG21 H -5.245 -0.339 1.814 1.00 . A A . 25 MVA HG21 1 1
8 3579 1 1 25 MVA HG22 H -5.993 0.187 3.322 1.00 . A A . 25 MVA HG22 1 1
8 3580 1 1 25 MVA HG23 H -4.497 -0.746 3.358 1.00 . A A . 25 MVA HG23 1 1
8 3581 1 1 25 MVA HN1 H -3.496 4.807 3.465 1.00 . A A . 25 MVA HN1 1 1
8 3582 1 1 25 MVA HN2 H -5.201 4.386 3.626 1.00 . A A . 25 MVA HN2 1 1
8 3583 1 1 25 MVA HN3 H -4.701 5.624 2.472 1.00 . A A . 25 MVA HN3 1 1
8 3584 1 1 25 MVA N N -4.273 3.650 1.890 1.00 . A A . 25 MVA N 1 1
8 3585 1 1 25 MVA O O -6.611 2.873 3.749 1.00 . A A . 25 MVA O 1 1
8 3586 1 1 26 HIS C C -9.638 1.454 1.847 1.00 . A A . 26 HIS C 1 1
8 3587 1 1 26 HIS CA C -8.799 2.707 2.055 1.00 . A A . 26 HIS CA 1 1
8 3588 1 1 26 HIS CB C -9.352 3.861 1.210 1.00 . A A . 26 HIS CB 1 1
8 3589 1 1 26 HIS CD2 C -7.483 5.579 0.637 1.00 . A A . 26 HIS CD2 1 1
8 3590 1 1 26 HIS CE1 C -7.991 7.111 2.114 1.00 . A A . 26 HIS CE1 1 1
8 3591 1 1 26 HIS CG C -8.564 5.136 1.326 1.00 . A A . 26 HIS CG 1 1
8 3592 1 1 26 HIS H H -7.212 2.102 0.799 1.00 . A A . 26 HIS H 1 1
8 3593 1 1 26 HIS HA H -8.831 2.983 3.098 1.00 . A A . 26 HIS HA 1 1
8 3594 1 1 26 HIS HB2 H -9.354 3.564 0.173 1.00 . A A . 26 HIS HB2 1 1
8 3595 1 1 26 HIS HB3 H -10.365 4.067 1.518 1.00 . A A . 26 HIS HB3 1 1
8 3596 1 1 26 HIS HD1 H -9.594 6.104 2.889 1.00 . A A . 26 HIS HD1 1 1
8 3597 1 1 26 HIS HD2 H -6.984 5.063 -0.170 1.00 . A A . 26 HIS HD2 1 1
8 3598 1 1 26 HIS HE1 H -7.979 8.018 2.700 1.00 . A A . 26 HIS HE1 1 1
8 3599 1 1 26 HIS HE2 H -6.303 7.294 0.961 1.00 . A A . 26 HIS HE2 1 1
8 3600 1 1 26 HIS N N -7.418 2.439 1.702 1.00 . A A . 26 HIS N 1 1
8 3601 1 1 26 HIS ND1 N -8.856 6.122 2.242 1.00 . A A . 26 HIS ND1 1 1
8 3602 1 1 26 HIS NE2 N -7.145 6.807 1.150 1.00 . A A . 26 HIS NE2 1 1
8 3603 1 1 26 HIS O O -9.817 0.987 0.718 1.00 . A A . 26 HIS O 1 1
8 3604 1 1 27 CYS C C -12.386 -0.010 2.995 1.00 . A A . 27 CYS C 1 1
8 3605 1 1 27 CYS CA C -10.903 -0.326 2.883 1.00 . A A . 27 CYS CA 1 1
8 3606 1 1 27 CYS CB C -10.478 -1.273 4.004 1.00 . A A . 27 CYS CB 1 1
8 3607 1 1 27 CYS H H -9.955 1.313 3.810 1.00 . A A . 27 CYS H 1 1
8 3608 1 1 27 CYS HA H -10.713 -0.800 1.930 1.00 . A A . 27 CYS HA 1 1
8 3609 1 1 27 CYS HB2 H -10.739 -0.830 4.954 1.00 . A A . 27 CYS HB2 1 1
8 3610 1 1 27 CYS HB3 H -11.004 -2.207 3.893 1.00 . A A . 27 CYS HB3 1 1
8 3611 1 1 27 CYS N N -10.125 0.896 2.939 1.00 . A A . 27 CYS N 1 1
8 3612 1 1 27 CYS O O -13.028 -0.312 4.003 1.00 . A A . 27 CYS O 1 1
8 3613 1 1 27 CYS SG S -8.689 -1.638 4.034 1.00 . A A . 27 CYS SG 1 1
8 3614 1 1 28 NH2 HN1 H -12.355 0.807 1.186 1.00 . A A . 28 NH2 HN1 1 1
8 3615 1 1 28 NH2 HN2 H -13.883 0.814 1.991 1.00 . A A . 28 NH2 HN2 1 1
8 3616 1 1 28 NH2 N N -12.929 0.597 1.954 1.00 . A A . 28 NH2 N 1 1
9 3617 1 1 1 ASN C C 11.649 -4.052 0.495 1.00 . A A . 1 ASN C 1 1
9 3618 1 1 1 ASN CA C 12.365 -4.309 1.813 1.00 . A A . 1 ASN CA 1 1
9 3619 1 1 1 ASN CB C 11.361 -4.286 2.969 1.00 . A A . 1 ASN CB 1 1
9 3620 1 1 1 ASN CG C 11.993 -4.687 4.284 1.00 . A A . 1 ASN CG 1 1
9 3621 1 1 1 ASN H1 H 13.890 -3.447 2.942 1.00 . A A . 1 ASN H1 1 1
9 3622 1 1 1 ASN H2 H 13.006 -2.342 2.017 1.00 . A A . 1 ASN H2 1 1
9 3623 1 1 1 ASN H3 H 14.133 -3.353 1.271 1.00 . A A . 1 ASN H3 1 1
9 3624 1 1 1 ASN HA H 12.836 -5.279 1.771 1.00 . A A . 1 ASN HA 1 1
9 3625 1 1 1 ASN HB2 H 10.962 -3.291 3.074 1.00 . A A . 1 ASN HB2 1 1
9 3626 1 1 1 ASN HB3 H 10.556 -4.973 2.753 1.00 . A A . 1 ASN HB3 1 1
9 3627 1 1 1 ASN HD21 H 10.734 -3.517 5.279 1.00 . A A . 1 ASN HD21 1 1
9 3628 1 1 1 ASN HD22 H 11.875 -4.392 6.241 1.00 . A A . 1 ASN HD22 1 1
9 3629 1 1 1 ASN N N 13.421 -3.294 2.028 1.00 . A A . 1 ASN N 1 1
9 3630 1 1 1 ASN ND2 N 11.485 -4.143 5.375 1.00 . A A . 1 ASN ND2 1 1
9 3631 1 1 1 ASN O O 11.681 -2.938 -0.027 1.00 . A A . 1 ASN O 1 1
9 3632 1 1 1 ASN OD1 O 12.937 -5.473 4.315 1.00 . A A . 1 ASN OD1 1 1
9 3633 1 1 2 ASP C C 8.810 -4.862 -1.117 1.00 . A A . 2 ASP C 1 1
9 3634 1 1 2 ASP CA C 10.317 -4.979 -1.323 1.00 . A A . 2 ASP CA 1 1
9 3635 1 1 2 ASP CB C 10.640 -6.188 -2.212 1.00 . A A . 2 ASP CB 1 1
9 3636 1 1 2 ASP CG C 10.319 -7.517 -1.555 1.00 . A A . 2 ASP CG 1 1
9 3637 1 1 2 ASP H H 11.016 -5.947 0.427 1.00 . A A . 2 ASP H 1 1
9 3638 1 1 2 ASP HA H 10.667 -4.082 -1.813 1.00 . A A . 2 ASP HA 1 1
9 3639 1 1 2 ASP HB2 H 10.069 -6.115 -3.123 1.00 . A A . 2 ASP HB2 1 1
9 3640 1 1 2 ASP HB3 H 11.693 -6.172 -2.453 1.00 . A A . 2 ASP HB3 1 1
9 3641 1 1 2 ASP N N 11.014 -5.085 -0.044 1.00 . A A . 2 ASP N 1 1
9 3642 1 1 2 ASP O O 8.016 -5.349 -1.923 1.00 . A A . 2 ASP O 1 1
9 3643 1 1 2 ASP OD1 O 9.261 -8.100 -1.873 1.00 . A A . 2 ASP OD1 1 1
9 3644 1 1 2 ASP OD2 O 11.107 -7.985 -0.714 1.00 . A A . 2 ASP OD2 1 1
9 3645 1 1 3 B3K C C 5.389 -2.472 -0.968 1.00 . A A . 3 B3K C 1 1
9 3646 1 1 3 B3K CA C 6.592 -2.556 -0.056 1.00 . A A . 3 B3K CA 1 1
9 3647 1 1 3 B3K CB C 7.009 -3.995 0.249 1.00 . A A . 3 B3K CB 1 1
9 3648 1 1 3 B3K CD C 7.184 -5.656 2.190 1.00 . A A . 3 B3K CD 1 1
9 3649 1 1 3 B3K CE C 6.867 -5.877 3.661 1.00 . A A . 3 B3K CE 1 1
9 3650 1 1 3 B3K CF C 7.410 -7.207 4.162 1.00 . A A . 3 B3K CF 1 1
9 3651 1 1 3 B3K CG C 6.725 -4.283 1.727 1.00 . A A . 3 B3K CG 1 1
9 3652 1 1 3 B3K H H 9.093 -3.789 0.545 1.00 . A A . 3 B3K H 1 1
9 3653 1 1 3 B3K HA1 H 6.352 -2.058 0.871 1.00 . A A . 3 B3K HA1 1 1
9 3654 1 1 3 B3K HA2 H 7.416 -2.042 -0.533 1.00 . A A . 3 B3K HA2 1 1
9 3655 1 1 3 B3K HB H 6.444 -4.675 -0.384 1.00 . A A . 3 B3K HB 1 1
9 3656 1 1 3 B3K HD2 H 8.252 -5.737 2.045 1.00 . A A . 3 B3K HD2 1 1
9 3657 1 1 3 B3K HD3 H 6.680 -6.409 1.607 1.00 . A A . 3 B3K HD3 1 1
9 3658 1 1 3 B3K HE2 H 5.795 -5.864 3.794 1.00 . A A . 3 B3K HE2 1 1
9 3659 1 1 3 B3K HE3 H 7.311 -5.081 4.239 1.00 . A A . 3 B3K HE3 1 1
9 3660 1 1 3 B3K HF1 H 7.155 -7.314 5.206 1.00 . A A . 3 B3K HF1 1 1
9 3661 1 1 3 B3K HF2 H 8.484 -7.207 4.054 1.00 . A A . 3 B3K HF2 1 1
9 3662 1 1 3 B3K HG2 H 5.661 -4.207 1.895 1.00 . A A . 3 B3K HG2 1 1
9 3663 1 1 3 B3K HG3 H 7.226 -3.538 2.327 1.00 . A A . 3 B3K HG3 1 1
9 3664 1 1 3 B3K HNZ1 H 7.205 -9.254 3.801 1.00 . A A . 3 B3K HNZ1 1 1
9 3665 1 1 3 B3K HNZ2 H 7.129 -8.302 2.408 1.00 . A A . 3 B3K HNZ2 1 1
9 3666 1 1 3 B3K N N 8.418 -4.185 -0.047 1.00 . A A . 3 B3K N 1 1
9 3667 1 1 3 B3K NZ N 6.850 -8.358 3.408 1.00 . A A . 3 B3K NZ 1 1
9 3668 1 1 3 B3K O O 4.259 -2.773 -0.564 1.00 . A A . 3 B3K O 1 1
9 3669 1 1 4 CYS C C 4.136 -3.255 -3.735 1.00 . A A . 4 CYS C 1 1
9 3670 1 1 4 CYS CA C 4.571 -1.907 -3.183 1.00 . A A . 4 CYS CA 1 1
9 3671 1 1 4 CYS CB C 5.013 -0.981 -4.319 1.00 . A A . 4 CYS CB 1 1
9 3672 1 1 4 CYS H H 6.560 -1.879 -2.479 1.00 . A A . 4 CYS H 1 1
9 3673 1 1 4 CYS HA H 3.733 -1.456 -2.674 1.00 . A A . 4 CYS HA 1 1
9 3674 1 1 4 CYS HB2 H 5.878 -1.403 -4.809 1.00 . A A . 4 CYS HB2 1 1
9 3675 1 1 4 CYS HB3 H 4.209 -0.895 -5.033 1.00 . A A . 4 CYS HB3 1 1
9 3676 1 1 4 CYS N N 5.635 -2.068 -2.210 1.00 . A A . 4 CYS N 1 1
9 3677 1 1 4 CYS O O 2.958 -3.455 -4.028 1.00 . A A . 4 CYS O 1 1
9 3678 1 1 4 CYS SG S 5.448 0.702 -3.771 1.00 . A A . 4 CYS SG 1 1
9 3679 1 1 5 LYS C C 3.782 -6.165 -3.328 1.00 . A A . 5 LYS C 1 1
9 3680 1 1 5 LYS CA C 4.766 -5.532 -4.304 1.00 . A A . 5 LYS CA 1 1
9 3681 1 1 5 LYS CB C 6.036 -6.375 -4.416 1.00 . A A . 5 LYS CB 1 1
9 3682 1 1 5 LYS CD C 8.314 -6.650 -5.444 1.00 . A A . 5 LYS CD 1 1
9 3683 1 1 5 LYS CE C 8.083 -8.088 -5.881 1.00 . A A . 5 LYS CE 1 1
9 3684 1 1 5 LYS CG C 7.027 -5.841 -5.434 1.00 . A A . 5 LYS CG 1 1
9 3685 1 1 5 LYS H H 6.017 -3.948 -3.655 1.00 . A A . 5 LYS H 1 1
9 3686 1 1 5 LYS HA H 4.300 -5.464 -5.275 1.00 . A A . 5 LYS HA 1 1
9 3687 1 1 5 LYS HB2 H 6.523 -6.403 -3.451 1.00 . A A . 5 LYS HB2 1 1
9 3688 1 1 5 LYS HB3 H 5.763 -7.378 -4.701 1.00 . A A . 5 LYS HB3 1 1
9 3689 1 1 5 LYS HD2 H 9.012 -6.187 -6.124 1.00 . A A . 5 LYS HD2 1 1
9 3690 1 1 5 LYS HD3 H 8.729 -6.651 -4.449 1.00 . A A . 5 LYS HD3 1 1
9 3691 1 1 5 LYS HE2 H 9.029 -8.609 -5.870 1.00 . A A . 5 LYS HE2 1 1
9 3692 1 1 5 LYS HE3 H 7.409 -8.559 -5.183 1.00 . A A . 5 LYS HE3 1 1
9 3693 1 1 5 LYS HG2 H 6.578 -5.885 -6.415 1.00 . A A . 5 LYS HG2 1 1
9 3694 1 1 5 LYS HG3 H 7.260 -4.814 -5.191 1.00 . A A . 5 LYS HG3 1 1
9 3695 1 1 5 LYS HZ1 H 7.463 -9.169 -7.557 1.00 . A A . 5 LYS HZ1 1 1
9 3696 1 1 5 LYS HZ2 H 8.082 -7.638 -7.921 1.00 . A A . 5 LYS HZ2 1 1
9 3697 1 1 5 LYS HZ3 H 6.536 -7.788 -7.255 1.00 . A A . 5 LYS HZ3 1 1
9 3698 1 1 5 LYS N N 5.084 -4.181 -3.864 1.00 . A A . 5 LYS N 1 1
9 3699 1 1 5 LYS NZ N 7.502 -8.176 -7.248 1.00 . A A . 5 LYS NZ 1 1
9 3700 1 1 5 LYS O O 2.596 -6.316 -3.637 1.00 . A A . 5 LYS O 1 1
9 3701 1 1 6 B3E C C 2.668 -5.931 0.988 1.00 . A A . 6 B3E C 1 1
9 3702 1 1 6 B3E CA C 3.833 -6.555 0.254 1.00 . A A . 6 B3E CA 1 1
9 3703 1 1 6 B3E CB C 3.433 -7.099 -1.112 1.00 . A A . 6 B3E CB 1 1
9 3704 1 1 6 B3E CD C 3.056 -9.315 -2.335 1.00 . A A . 6 B3E CD 1 1
9 3705 1 1 6 B3E CE C 3.178 -10.817 -2.247 1.00 . A A . 6 B3E CE 1 1
9 3706 1 1 6 B3E CG C 3.540 -8.625 -1.074 1.00 . A A . 6 B3E CG 1 1
9 3707 1 1 6 B3E H H 5.240 -6.424 -1.982 1.00 . A A . 6 B3E H 1 1
9 3708 1 1 6 B3E HA1 H 4.223 -7.364 0.854 1.00 . A A . 6 B3E HA1 1 1
9 3709 1 1 6 B3E HA2 H 4.600 -5.802 0.129 1.00 . A A . 6 B3E HA2 1 1
9 3710 1 1 6 B3E HB H 2.411 -6.796 -1.328 1.00 . A A . 6 B3E HB 1 1
9 3711 1 1 6 B3E HD2 H 3.646 -8.967 -3.171 1.00 . A A . 6 B3E HD2 1 1
9 3712 1 1 6 B3E HD3 H 2.019 -9.060 -2.496 1.00 . A A . 6 B3E HD3 1 1
9 3713 1 1 6 B3E HG2 H 2.954 -8.992 -0.246 1.00 . A A . 6 B3E HG2 1 1
9 3714 1 1 6 B3E HG3 H 4.570 -8.898 -0.917 1.00 . A A . 6 B3E HG3 1 1
9 3715 1 1 6 B3E N N 4.277 -6.530 -2.151 1.00 . A A . 6 B3E N 1 1
9 3716 1 1 6 B3E O O 1.709 -6.611 1.367 1.00 . A A . 6 B3E O 1 1
9 3717 1 1 6 B3E OF1 O 2.341 -11.443 -1.566 1.00 . A A . 6 B3E OF1 1 1
9 3718 1 1 6 B3E OF2 O 4.110 -11.381 -2.859 1.00 . A A . 6 B3E OF2 1 1
9 3719 1 1 7 LEU C C 0.527 -3.643 0.938 1.00 . A A . 7 LEU C 1 1
9 3720 1 1 7 LEU CA C 1.696 -3.896 1.871 1.00 . A A . 7 LEU CA 1 1
9 3721 1 1 7 LEU CB C 2.224 -2.577 2.438 1.00 . A A . 7 LEU CB 1 1
9 3722 1 1 7 LEU CD1 C 3.771 -1.348 3.981 1.00 . A A . 7 LEU CD1 1 1
9 3723 1 1 7 LEU CD2 C 2.961 -3.626 4.601 1.00 . A A . 7 LEU CD2 1 1
9 3724 1 1 7 LEU CG C 3.364 -2.711 3.453 1.00 . A A . 7 LEU CG 1 1
9 3725 1 1 7 LEU H H 3.516 -4.124 0.828 1.00 . A A . 7 LEU H 1 1
9 3726 1 1 7 LEU HA H 1.354 -4.516 2.686 1.00 . A A . 7 LEU HA 1 1
9 3727 1 1 7 LEU HB2 H 2.572 -1.970 1.615 1.00 . A A . 7 LEU HB2 1 1
9 3728 1 1 7 LEU HB3 H 1.406 -2.063 2.919 1.00 . A A . 7 LEU HB3 1 1
9 3729 1 1 7 LEU HD11 H 4.113 -0.733 3.161 1.00 . A A . 7 LEU HD11 1 1
9 3730 1 1 7 LEU HD12 H 4.569 -1.464 4.700 1.00 . A A . 7 LEU HD12 1 1
9 3731 1 1 7 LEU HD13 H 2.924 -0.875 4.456 1.00 . A A . 7 LEU HD13 1 1
9 3732 1 1 7 LEU HD21 H 3.739 -3.628 5.349 1.00 . A A . 7 LEU HD21 1 1
9 3733 1 1 7 LEU HD22 H 2.819 -4.629 4.229 1.00 . A A . 7 LEU HD22 1 1
9 3734 1 1 7 LEU HD23 H 2.040 -3.270 5.041 1.00 . A A . 7 LEU HD23 1 1
9 3735 1 1 7 LEU HG H 4.221 -3.146 2.962 1.00 . A A . 7 LEU HG 1 1
9 3736 1 1 7 LEU N N 2.742 -4.619 1.177 1.00 . A A . 7 LEU N 1 1
9 3737 1 1 7 LEU O O -0.618 -3.908 1.298 1.00 . A A . 7 LEU O 1 1
9 3738 1 1 8 LYS C C -0.982 -4.203 -1.523 1.00 . A A . 8 LYS C 1 1
9 3739 1 1 8 LYS CA C -0.227 -2.910 -1.250 1.00 . A A . 8 LYS CA 1 1
9 3740 1 1 8 LYS CB C 0.349 -2.346 -2.549 1.00 . A A . 8 LYS CB 1 1
9 3741 1 1 8 LYS CD C -0.140 -1.364 -4.825 1.00 . A A . 8 LYS CD 1 1
9 3742 1 1 8 LYS CE C 0.496 -2.486 -5.626 1.00 . A A . 8 LYS CE 1 1
9 3743 1 1 8 LYS CG C -0.724 -1.872 -3.518 1.00 . A A . 8 LYS CG 1 1
9 3744 1 1 8 LYS H H 1.750 -2.974 -0.502 1.00 . A A . 8 LYS H 1 1
9 3745 1 1 8 LYS HA H -0.910 -2.192 -0.825 1.00 . A A . 8 LYS HA 1 1
9 3746 1 1 8 LYS HB2 H 0.990 -1.510 -2.313 1.00 . A A . 8 LYS HB2 1 1
9 3747 1 1 8 LYS HB3 H 0.932 -3.114 -3.036 1.00 . A A . 8 LYS HB3 1 1
9 3748 1 1 8 LYS HD2 H -0.928 -0.920 -5.412 1.00 . A A . 8 LYS HD2 1 1
9 3749 1 1 8 LYS HD3 H 0.612 -0.619 -4.606 1.00 . A A . 8 LYS HD3 1 1
9 3750 1 1 8 LYS HE2 H 1.318 -2.896 -5.059 1.00 . A A . 8 LYS HE2 1 1
9 3751 1 1 8 LYS HE3 H -0.245 -3.255 -5.792 1.00 . A A . 8 LYS HE3 1 1
9 3752 1 1 8 LYS HG2 H -1.388 -2.695 -3.730 1.00 . A A . 8 LYS HG2 1 1
9 3753 1 1 8 LYS HG3 H -1.282 -1.073 -3.051 1.00 . A A . 8 LYS HG3 1 1
9 3754 1 1 8 LYS HZ1 H 1.664 -1.224 -6.806 1.00 . A A . 8 LYS HZ1 1 1
9 3755 1 1 8 LYS HZ2 H 0.217 -1.699 -7.535 1.00 . A A . 8 LYS HZ2 1 1
9 3756 1 1 8 LYS HZ3 H 1.503 -2.789 -7.424 1.00 . A A . 8 LYS HZ3 1 1
9 3757 1 1 8 LYS N N 0.819 -3.160 -0.270 1.00 . A A . 8 LYS N 1 1
9 3758 1 1 8 LYS NZ N 1.005 -2.017 -6.937 1.00 . A A . 8 LYS NZ 1 1
9 3759 1 1 8 LYS O O -2.174 -4.307 -1.250 1.00 . A A . 8 LYS O 1 1
9 3760 1 1 9 B3K C C -1.355 -8.042 -0.377 1.00 . A A . 9 B3K C 1 1
9 3761 1 1 9 B3K CA C -0.341 -7.552 -1.379 1.00 . A A . 9 B3K CA 1 1
9 3762 1 1 9 B3K CB C -0.907 -6.476 -2.300 1.00 . A A . 9 B3K CB 1 1
9 3763 1 1 9 B3K CD C -1.162 -5.911 -4.782 1.00 . A A . 9 B3K CD 1 1
9 3764 1 1 9 B3K CE C -1.006 -6.432 -6.204 1.00 . A A . 9 B3K CE 1 1
9 3765 1 1 9 B3K CF C -1.934 -7.604 -6.479 1.00 . A A . 9 B3K CF 1 1
9 3766 1 1 9 B3K CG C -0.664 -6.914 -3.752 1.00 . A A . 9 B3K CG 1 1
9 3767 1 1 9 B3K H H 0.669 -5.073 -2.249 1.00 . A A . 9 B3K H 1 1
9 3768 1 1 9 B3K HA1 H -0.017 -8.391 -1.975 1.00 . A A . 9 B3K HA1 1 1
9 3769 1 1 9 B3K HA2 H 0.502 -7.150 -0.838 1.00 . A A . 9 B3K HA2 1 1
9 3770 1 1 9 B3K HB H -1.979 -6.347 -2.090 1.00 . A A . 9 B3K HB 1 1
9 3771 1 1 9 B3K HD2 H -0.597 -4.996 -4.680 1.00 . A A . 9 B3K HD2 1 1
9 3772 1 1 9 B3K HD3 H -2.206 -5.711 -4.600 1.00 . A A . 9 B3K HD3 1 1
9 3773 1 1 9 B3K HE2 H 0.016 -6.751 -6.348 1.00 . A A . 9 B3K HE2 1 1
9 3774 1 1 9 B3K HE3 H -1.235 -5.635 -6.895 1.00 . A A . 9 B3K HE3 1 1
9 3775 1 1 9 B3K HF1 H -2.946 -7.304 -6.252 1.00 . A A . 9 B3K HF1 1 1
9 3776 1 1 9 B3K HF2 H -1.652 -8.427 -5.841 1.00 . A A . 9 B3K HF2 1 1
9 3777 1 1 9 B3K HG2 H -1.168 -7.853 -3.920 1.00 . A A . 9 B3K HG2 1 1
9 3778 1 1 9 B3K HG3 H 0.397 -7.053 -3.900 1.00 . A A . 9 B3K HG3 1 1
9 3779 1 1 9 B3K HNZ1 H -0.913 -8.390 -8.122 1.00 . A A . 9 B3K HNZ1 1 1
9 3780 1 1 9 B3K HNZ2 H -2.097 -7.258 -8.531 1.00 . A A . 9 B3K HNZ2 1 1
9 3781 1 1 9 B3K N N -0.281 -5.202 -2.043 1.00 . A A . 9 B3K N 1 1
9 3782 1 1 9 B3K NZ N -1.867 -8.049 -7.897 1.00 . A A . 9 B3K NZ 1 1
9 3783 1 1 9 B3K O O -2.255 -8.817 -0.704 1.00 . A A . 9 B3K O 1 1
9 3784 1 1 10 ARG C C -3.443 -7.185 1.764 1.00 . A A . 10 ARG C 1 1
9 3785 1 1 10 ARG CA C -2.127 -7.931 1.927 1.00 . A A . 10 ARG CA 1 1
9 3786 1 1 10 ARG CB C -1.522 -7.601 3.292 1.00 . A A . 10 ARG CB 1 1
9 3787 1 1 10 ARG CD C 0.321 -7.977 4.959 1.00 . A A . 10 ARG CD 1 1
9 3788 1 1 10 ARG CG C -0.167 -8.243 3.544 1.00 . A A . 10 ARG CG 1 1
9 3789 1 1 10 ARG CZ C 0.388 -6.046 6.499 1.00 . A A . 10 ARG CZ 1 1
9 3790 1 1 10 ARG H H -0.450 -6.983 1.057 1.00 . A A . 10 ARG H 1 1
9 3791 1 1 10 ARG HA H -2.317 -8.992 1.868 1.00 . A A . 10 ARG HA 1 1
9 3792 1 1 10 ARG HB2 H -1.407 -6.530 3.371 1.00 . A A . 10 ARG HB2 1 1
9 3793 1 1 10 ARG HB3 H -2.203 -7.936 4.060 1.00 . A A . 10 ARG HB3 1 1
9 3794 1 1 10 ARG HD2 H -0.366 -8.435 5.654 1.00 . A A . 10 ARG HD2 1 1
9 3795 1 1 10 ARG HD3 H 1.298 -8.423 5.077 1.00 . A A . 10 ARG HD3 1 1
9 3796 1 1 10 ARG HE H 0.496 -5.928 4.500 1.00 . A A . 10 ARG HE 1 1
9 3797 1 1 10 ARG HG2 H -0.251 -9.311 3.398 1.00 . A A . 10 ARG HG2 1 1
9 3798 1 1 10 ARG HG3 H 0.548 -7.837 2.843 1.00 . A A . 10 ARG HG3 1 1
9 3799 1 1 10 ARG HH11 H 0.275 -6.486 8.476 1.00 . A A . 10 ARG HH11 1 1
9 3800 1 1 10 ARG HH12 H 0.240 -7.851 7.407 1.00 . A A . 10 ARG HH12 1 1
9 3801 1 1 10 ARG HH21 H 0.441 -4.366 7.635 1.00 . A A . 10 ARG HH21 1 1
9 3802 1 1 10 ARG HH22 H 0.542 -4.107 5.924 1.00 . A A . 10 ARG HH22 1 1
9 3803 1 1 10 ARG N N -1.207 -7.578 0.859 1.00 . A A . 10 ARG N 1 1
9 3804 1 1 10 ARG NE N 0.413 -6.544 5.260 1.00 . A A . 10 ARG NE 1 1
9 3805 1 1 10 ARG NH1 N 0.293 -6.860 7.542 1.00 . A A . 10 ARG NH1 1 1
9 3806 1 1 10 ARG NH2 N 0.463 -4.734 6.698 1.00 . A A . 10 ARG NH2 1 1
9 3807 1 1 10 ARG O O -4.518 -7.747 1.964 1.00 . A A . 10 ARG O 1 1
9 3808 1 1 11 TYR C C -5.100 -5.120 -0.156 1.00 . A A . 11 TYR C 1 1
9 3809 1 1 11 TYR CA C -4.524 -5.068 1.256 1.00 . A A . 11 TYR CA 1 1
9 3810 1 1 11 TYR CB C -4.167 -3.630 1.627 1.00 . A A . 11 TYR CB 1 1
9 3811 1 1 11 TYR CD1 C -4.730 -3.587 4.083 1.00 . A A . 11 TYR CD1 1 1
9 3812 1 1 11 TYR CD2 C -2.476 -3.152 3.443 1.00 . A A . 11 TYR CD2 1 1
9 3813 1 1 11 TYR CE1 C -4.388 -3.424 5.409 1.00 . A A . 11 TYR CE1 1 1
9 3814 1 1 11 TYR CE2 C -2.126 -2.988 4.768 1.00 . A A . 11 TYR CE2 1 1
9 3815 1 1 11 TYR CG C -3.783 -3.453 3.077 1.00 . A A . 11 TYR CG 1 1
9 3816 1 1 11 TYR CZ C -3.086 -3.127 5.747 1.00 . A A . 11 TYR CZ 1 1
9 3817 1 1 11 TYR H H -2.472 -5.552 1.153 1.00 . A A . 11 TYR H 1 1
9 3818 1 1 11 TYR HA H -5.267 -5.433 1.949 1.00 . A A . 11 TYR HA 1 1
9 3819 1 1 11 TYR HB2 H -3.335 -3.305 1.022 1.00 . A A . 11 TYR HB2 1 1
9 3820 1 1 11 TYR HB3 H -5.016 -2.995 1.430 1.00 . A A . 11 TYR HB3 1 1
9 3821 1 1 11 TYR HD1 H -5.750 -3.823 3.815 1.00 . A A . 11 TYR HD1 1 1
9 3822 1 1 11 TYR HD2 H -1.726 -3.045 2.671 1.00 . A A . 11 TYR HD2 1 1
9 3823 1 1 11 TYR HE1 H -5.138 -3.534 6.176 1.00 . A A . 11 TYR HE1 1 1
9 3824 1 1 11 TYR HE2 H -1.105 -2.752 5.031 1.00 . A A . 11 TYR HE2 1 1
9 3825 1 1 11 TYR HH H -3.044 -3.733 7.576 1.00 . A A . 11 TYR HH 1 1
9 3826 1 1 11 TYR N N -3.351 -5.922 1.376 1.00 . A A . 11 TYR N 1 1
9 3827 1 1 11 TYR O O -5.757 -4.181 -0.599 1.00 . A A . 11 TYR O 1 1
9 3828 1 1 11 TYR OH O -2.743 -2.963 7.072 1.00 . A A . 11 TYR OH 1 1
9 3829 1 1 12 ABA C C -6.862 -6.261 -2.302 1.00 . A A . 12 AIB C 1 1
9 3830 1 1 12 ABA CA C -5.340 -6.446 -2.217 1.00 . A A . 12 AIB CA 1 1
9 3831 1 1 12 ABA H H -4.377 -6.963 -0.396 1.00 . A A . 12 AIB H 1 1
9 3832 1 1 12 ABA N N -4.875 -6.243 -0.836 1.00 . A A . 12 AIB N 1 1
9 3833 1 1 12 ABA O O -7.383 -5.781 -3.311 1.00 . A A . 12 AIB O 1 1
9 3834 1 1 13 GLY C C -9.475 -5.129 -0.824 1.00 . A A . 13 GLY C 1 1
9 3835 1 1 13 GLY CA C -9.008 -6.518 -1.219 1.00 . A A . 13 GLY CA 1 1
9 3836 1 1 13 GLY H H -7.094 -7.018 -0.467 1.00 . A A . 13 GLY H 1 1
9 3837 1 1 13 GLY HA2 H -9.390 -6.747 -2.201 1.00 . A A . 13 GLY HA2 1 1
9 3838 1 1 13 GLY HA3 H -9.407 -7.233 -0.515 1.00 . A A . 13 GLY HA3 1 1
9 3839 1 1 13 GLY N N -7.563 -6.641 -1.241 1.00 . A A . 13 GLY N 1 1
9 3840 1 1 13 GLY O O -10.675 -4.873 -0.715 1.00 . A A . 13 GLY O 1 1
9 3841 1 1 14 CYS C C -8.365 -1.912 -1.322 1.00 . A A . 14 CYS C 1 1
9 3842 1 1 14 CYS CA C -8.832 -2.866 -0.227 1.00 . A A . 14 CYS CA 1 1
9 3843 1 1 14 CYS CB C -8.121 -2.538 1.089 1.00 . A A . 14 CYS CB 1 1
9 3844 1 1 14 CYS H H -7.590 -4.493 -0.727 1.00 . A A . 14 CYS H 1 1
9 3845 1 1 14 CYS HA H -9.900 -2.772 -0.097 1.00 . A A . 14 CYS HA 1 1
9 3846 1 1 14 CYS HB2 H -7.064 -2.429 0.897 1.00 . A A . 14 CYS HB2 1 1
9 3847 1 1 14 CYS HB3 H -8.507 -1.608 1.480 1.00 . A A . 14 CYS HB3 1 1
9 3848 1 1 14 CYS N N -8.530 -4.233 -0.612 1.00 . A A . 14 CYS N 1 1
9 3849 1 1 14 CYS O O -7.742 -2.339 -2.295 1.00 . A A . 14 CYS O 1 1
9 3850 1 1 14 CYS SG S -8.319 -3.813 2.384 1.00 . A A . 14 CYS SG 1 1
9 3851 1 1 15 GLU C C -6.840 0.887 -1.602 1.00 . A A . 15 GLU C 1 1
9 3852 1 1 15 GLU CA C -8.184 0.374 -2.102 1.00 . A A . 15 GLU CA 1 1
9 3853 1 1 15 GLU CB C -9.178 1.530 -2.239 1.00 . A A . 15 GLU CB 1 1
9 3854 1 1 15 GLU CD C -11.445 2.279 -3.041 1.00 . A A . 15 GLU CD 1 1
9 3855 1 1 15 GLU CG C -10.528 1.105 -2.794 1.00 . A A . 15 GLU CG 1 1
9 3856 1 1 15 GLU H H -9.240 -0.356 -0.420 1.00 . A A . 15 GLU H 1 1
9 3857 1 1 15 GLU HA H -8.048 -0.095 -3.064 1.00 . A A . 15 GLU HA 1 1
9 3858 1 1 15 GLU HB2 H -9.336 1.973 -1.267 1.00 . A A . 15 GLU HB2 1 1
9 3859 1 1 15 GLU HB3 H -8.760 2.273 -2.900 1.00 . A A . 15 GLU HB3 1 1
9 3860 1 1 15 GLU HG2 H -10.372 0.587 -3.728 1.00 . A A . 15 GLU HG2 1 1
9 3861 1 1 15 GLU HG3 H -11.001 0.440 -2.087 1.00 . A A . 15 GLU HG3 1 1
9 3862 1 1 15 GLU N N -8.678 -0.634 -1.177 1.00 . A A . 15 GLU N 1 1
9 3863 1 1 15 GLU O O -6.775 1.552 -0.571 1.00 . A A . 15 GLU O 1 1
9 3864 1 1 15 GLU OE1 O -11.434 2.820 -4.168 1.00 . A A . 15 GLU OE1 1 1
9 3865 1 1 15 GLU OE2 O -12.177 2.673 -2.111 1.00 . A A . 15 GLU OE2 1 1
9 3866 1 1 16 MVA C C -3.382 1.303 -2.829 1.00 . A A . 16 MVA C 1 1
9 3867 1 1 16 MVA CA C -4.403 0.858 -1.773 1.00 . A A . 16 MVA CA 1 1
9 3868 1 1 16 MVA CB C -3.856 -0.373 -0.994 1.00 . A A . 16 MVA CB 1 1
9 3869 1 1 16 MVA CG1 C -3.853 -1.630 -1.850 1.00 . A A . 16 MVA CG1 1 1
9 3870 1 1 16 MVA CG2 C -2.460 -0.093 -0.452 1.00 . A A . 16 MVA CG2 1 1
9 3871 1 1 16 MVA CN C -5.907 0.059 -3.692 1.00 . A A . 16 MVA CN 1 1
9 3872 1 1 16 MVA HA H -4.477 1.664 -1.054 1.00 . A A . 16 MVA HA 1 1
9 3873 1 1 16 MVA HB H -4.507 -0.551 -0.151 1.00 . A A . 16 MVA HB 1 1
9 3874 1 1 16 MVA HG11 H -3.262 -1.461 -2.737 1.00 . A A . 16 MVA HG11 1 1
9 3875 1 1 16 MVA HG12 H -4.865 -1.874 -2.134 1.00 . A A . 16 MVA HG12 1 1
9 3876 1 1 16 MVA HG13 H -3.432 -2.448 -1.287 1.00 . A A . 16 MVA HG13 1 1
9 3877 1 1 16 MVA HG21 H -2.138 -0.922 0.159 1.00 . A A . 16 MVA HG21 1 1
9 3878 1 1 16 MVA HG22 H -2.477 0.809 0.143 1.00 . A A . 16 MVA HG22 1 1
9 3879 1 1 16 MVA HG23 H -1.773 0.034 -1.275 1.00 . A A . 16 MVA HG23 1 1
9 3880 1 1 16 MVA HN1 H -6.323 -0.938 -3.643 1.00 . A A . 16 MVA HN1 1 1
9 3881 1 1 16 MVA HN2 H -4.943 0.022 -4.177 1.00 . A A . 16 MVA HN2 1 1
9 3882 1 1 16 MVA HN3 H -6.570 0.698 -4.255 1.00 . A A . 16 MVA HN3 1 1
9 3883 1 1 16 MVA N N -5.748 0.596 -2.322 1.00 . A A . 16 MVA N 1 1
9 3884 1 1 16 MVA O O -3.078 0.598 -3.797 1.00 . A A . 16 MVA O 1 1
9 3885 1 1 17 ARG C C -0.512 3.159 -2.829 1.00 . A A . 17 ARG C 1 1
9 3886 1 1 17 ARG CA C -1.869 3.074 -3.510 1.00 . A A . 17 ARG CA 1 1
9 3887 1 1 17 ARG CB C -2.321 4.469 -3.941 1.00 . A A . 17 ARG CB 1 1
9 3888 1 1 17 ARG CD C -3.578 3.711 -5.980 1.00 . A A . 17 ARG CD 1 1
9 3889 1 1 17 ARG CG C -3.653 4.486 -4.673 1.00 . A A . 17 ARG CG 1 1
9 3890 1 1 17 ARG CZ C -2.052 3.587 -7.916 1.00 . A A . 17 ARG CZ 1 1
9 3891 1 1 17 ARG H H -3.087 2.979 -1.792 1.00 . A A . 17 ARG H 1 1
9 3892 1 1 17 ARG HA H -1.789 2.441 -4.378 1.00 . A A . 17 ARG HA 1 1
9 3893 1 1 17 ARG HB2 H -2.409 5.092 -3.066 1.00 . A A . 17 ARG HB2 1 1
9 3894 1 1 17 ARG HB3 H -1.571 4.888 -4.593 1.00 . A A . 17 ARG HB3 1 1
9 3895 1 1 17 ARG HD2 H -3.325 2.685 -5.760 1.00 . A A . 17 ARG HD2 1 1
9 3896 1 1 17 ARG HD3 H -4.543 3.747 -6.463 1.00 . A A . 17 ARG HD3 1 1
9 3897 1 1 17 ARG HE H -2.270 5.184 -6.727 1.00 . A A . 17 ARG HE 1 1
9 3898 1 1 17 ARG HG2 H -4.406 4.036 -4.042 1.00 . A A . 17 ARG HG2 1 1
9 3899 1 1 17 ARG HG3 H -3.924 5.509 -4.883 1.00 . A A . 17 ARG HG3 1 1
9 3900 1 1 17 ARG HH11 H -3.102 1.887 -7.557 1.00 . A A . 17 ARG HH11 1 1
9 3901 1 1 17 ARG HH12 H -2.033 1.830 -8.925 1.00 . A A . 17 ARG HH12 1 1
9 3902 1 1 17 ARG HH21 H -0.767 3.652 -9.478 1.00 . A A . 17 ARG HH21 1 1
9 3903 1 1 17 ARG HH22 H -0.865 5.105 -8.536 1.00 . A A . 17 ARG HH22 1 1
9 3904 1 1 17 ARG N N -2.839 2.489 -2.610 1.00 . A A . 17 ARG N 1 1
9 3905 1 1 17 ARG NE N -2.571 4.261 -6.890 1.00 . A A . 17 ARG NE 1 1
9 3906 1 1 17 ARG NH1 N -2.427 2.336 -8.151 1.00 . A A . 17 ARG NH1 1 1
9 3907 1 1 17 ARG NH2 N -1.156 4.161 -8.705 1.00 . A A . 17 ARG NH2 1 1
9 3908 1 1 17 ARG O O -0.374 3.779 -1.775 1.00 . A A . 17 ARG O 1 1
9 3909 1 1 18 CYS C C 2.613 3.662 -3.586 1.00 . A A . 18 CYS C 1 1
9 3910 1 1 18 CYS CA C 1.828 2.559 -2.893 1.00 . A A . 18 CYS CA 1 1
9 3911 1 1 18 CYS CB C 2.521 1.214 -3.103 1.00 . A A . 18 CYS CB 1 1
9 3912 1 1 18 CYS H H 0.301 2.025 -4.252 1.00 . A A . 18 CYS H 1 1
9 3913 1 1 18 CYS HA H 1.769 2.770 -1.835 1.00 . A A . 18 CYS HA 1 1
9 3914 1 1 18 CYS HB2 H 1.887 0.425 -2.729 1.00 . A A . 18 CYS HB2 1 1
9 3915 1 1 18 CYS HB3 H 2.685 1.068 -4.161 1.00 . A A . 18 CYS HB3 1 1
9 3916 1 1 18 CYS N N 0.478 2.523 -3.425 1.00 . A A . 18 CYS N 1 1
9 3917 1 1 18 CYS O O 3.196 3.444 -4.648 1.00 . A A . 18 CYS O 1 1
9 3918 1 1 18 CYS SG S 4.137 1.076 -2.267 1.00 . A A . 18 CYS SG 1 1
9 3919 1 1 19 ASP C C 4.476 6.393 -2.769 1.00 . A A . 19 ASP C 1 1
9 3920 1 1 19 ASP CA C 3.270 5.987 -3.605 1.00 . A A . 19 ASP CA 1 1
9 3921 1 1 19 ASP CB C 2.295 7.155 -3.745 1.00 . A A . 19 ASP CB 1 1
9 3922 1 1 19 ASP CG C 2.825 8.238 -4.663 1.00 . A A . 19 ASP CG 1 1
9 3923 1 1 19 ASP H H 2.168 4.956 -2.126 1.00 . A A . 19 ASP H 1 1
9 3924 1 1 19 ASP HA H 3.607 5.689 -4.585 1.00 . A A . 19 ASP HA 1 1
9 3925 1 1 19 ASP HB2 H 1.363 6.791 -4.147 1.00 . A A . 19 ASP HB2 1 1
9 3926 1 1 19 ASP HB3 H 2.119 7.588 -2.771 1.00 . A A . 19 ASP HB3 1 1
9 3927 1 1 19 ASP N N 2.609 4.847 -2.998 1.00 . A A . 19 ASP N 1 1
9 3928 1 1 19 ASP O O 4.341 7.101 -1.765 1.00 . A A . 19 ASP O 1 1
9 3929 1 1 19 ASP OD1 O 3.400 9.225 -4.149 1.00 . A A . 19 ASP OD1 1 1
9 3930 1 1 19 ASP OD2 O 2.678 8.106 -5.895 1.00 . A A . 19 ASP OD2 1 1
9 3931 1 1 20 DPR C C 6.807 5.561 -1.007 1.00 . A A . 20 DPR C 1 1
9 3932 1 1 20 DPR CA C 6.899 6.165 -2.404 1.00 . A A . 20 DPR CA 1 1
9 3933 1 1 20 DPR CB C 7.987 5.464 -3.218 1.00 . A A . 20 DPR CB 1 1
9 3934 1 1 20 DPR CD C 5.929 5.174 -4.399 1.00 . A A . 20 DPR CD 1 1
9 3935 1 1 20 DPR CG C 7.414 5.305 -4.582 1.00 . A A . 20 DPR CG 1 1
9 3936 1 1 20 DPR HA H 7.131 7.214 -2.329 1.00 . A A . 20 DPR HA 1 1
9 3937 1 1 20 DPR HB2 H 8.208 4.507 -2.772 1.00 . A A . 20 DPR HB2 1 1
9 3938 1 1 20 DPR HB3 H 8.876 6.075 -3.233 1.00 . A A . 20 DPR HB3 1 1
9 3939 1 1 20 DPR HD2 H 5.653 4.137 -4.276 1.00 . A A . 20 DPR HD2 1 1
9 3940 1 1 20 DPR HD3 H 5.410 5.609 -5.238 1.00 . A A . 20 DPR HD3 1 1
9 3941 1 1 20 DPR HG2 H 7.815 4.418 -5.048 1.00 . A A . 20 DPR HG2 1 1
9 3942 1 1 20 DPR HG3 H 7.642 6.177 -5.178 1.00 . A A . 20 DPR HG3 1 1
9 3943 1 1 20 DPR N N 5.673 5.937 -3.168 1.00 . A A . 20 DPR N 1 1
9 3944 1 1 20 DPR O O 6.447 4.393 -0.844 1.00 . A A . 20 DPR O 1 1
9 3945 1 1 21 PRO C C 5.674 5.947 2.001 1.00 . A A . 21 PRO C 1 1
9 3946 1 1 21 PRO CA C 7.081 5.903 1.411 1.00 . A A . 21 PRO CA 1 1
9 3947 1 1 21 PRO CB C 7.984 6.911 2.111 1.00 . A A . 21 PRO CB 1 1
9 3948 1 1 21 PRO CD C 7.555 7.760 -0.088 1.00 . A A . 21 PRO CD 1 1
9 3949 1 1 21 PRO CG C 7.797 8.173 1.340 1.00 . A A . 21 PRO CG 1 1
9 3950 1 1 21 PRO HA H 7.489 4.911 1.518 1.00 . A A . 21 PRO HA 1 1
9 3951 1 1 21 PRO HB2 H 7.674 7.024 3.141 1.00 . A A . 21 PRO HB2 1 1
9 3952 1 1 21 PRO HB3 H 9.009 6.573 2.072 1.00 . A A . 21 PRO HB3 1 1
9 3953 1 1 21 PRO HD2 H 6.780 8.368 -0.532 1.00 . A A . 21 PRO HD2 1 1
9 3954 1 1 21 PRO HD3 H 8.466 7.835 -0.660 1.00 . A A . 21 PRO HD3 1 1
9 3955 1 1 21 PRO HG2 H 6.944 8.712 1.721 1.00 . A A . 21 PRO HG2 1 1
9 3956 1 1 21 PRO HG3 H 8.686 8.781 1.409 1.00 . A A . 21 PRO HG3 1 1
9 3957 1 1 21 PRO N N 7.121 6.354 0.022 1.00 . A A . 21 PRO N 1 1
9 3958 1 1 21 PRO O O 5.467 5.624 3.173 1.00 . A A . 21 PRO O 1 1
9 3959 1 1 22 ARG C C 2.440 5.435 1.076 1.00 . A A . 22 ARG C 1 1
9 3960 1 1 22 ARG CA C 3.345 6.502 1.659 1.00 . A A . 22 ARG CA 1 1
9 3961 1 1 22 ARG CB C 2.822 7.896 1.326 1.00 . A A . 22 ARG CB 1 1
9 3962 1 1 22 ARG CD C 3.422 8.913 3.544 1.00 . A A . 22 ARG CD 1 1
9 3963 1 1 22 ARG CG C 3.587 9.001 2.034 1.00 . A A . 22 ARG CG 1 1
9 3964 1 1 22 ARG CZ C 4.450 9.877 5.571 1.00 . A A . 22 ARG CZ 1 1
9 3965 1 1 22 ARG H H 4.913 6.532 0.244 1.00 . A A . 22 ARG H 1 1
9 3966 1 1 22 ARG HA H 3.359 6.383 2.730 1.00 . A A . 22 ARG HA 1 1
9 3967 1 1 22 ARG HB2 H 2.901 8.054 0.261 1.00 . A A . 22 ARG HB2 1 1
9 3968 1 1 22 ARG HB3 H 1.784 7.959 1.618 1.00 . A A . 22 ARG HB3 1 1
9 3969 1 1 22 ARG HD2 H 2.407 9.176 3.799 1.00 . A A . 22 ARG HD2 1 1
9 3970 1 1 22 ARG HD3 H 3.620 7.899 3.860 1.00 . A A . 22 ARG HD3 1 1
9 3971 1 1 22 ARG HE H 4.907 10.395 3.691 1.00 . A A . 22 ARG HE 1 1
9 3972 1 1 22 ARG HG2 H 4.635 8.911 1.791 1.00 . A A . 22 ARG HG2 1 1
9 3973 1 1 22 ARG HG3 H 3.218 9.956 1.696 1.00 . A A . 22 ARG HG3 1 1
9 3974 1 1 22 ARG HH11 H 3.744 9.187 7.346 1.00 . A A . 22 ARG HH11 1 1
9 3975 1 1 22 ARG HH12 H 2.956 8.550 5.938 1.00 . A A . 22 ARG HH12 1 1
9 3976 1 1 22 ARG HH21 H 5.442 10.741 7.116 1.00 . A A . 22 ARG HH21 1 1
9 3977 1 1 22 ARG HH22 H 5.937 11.255 5.533 1.00 . A A . 22 ARG HH22 1 1
9 3978 1 1 22 ARG N N 4.707 6.348 1.188 1.00 . A A . 22 ARG N 1 1
9 3979 1 1 22 ARG NE N 4.334 9.815 4.245 1.00 . A A . 22 ARG NE 1 1
9 3980 1 1 22 ARG NH1 N 3.656 9.144 6.348 1.00 . A A . 22 ARG NH1 1 1
9 3981 1 1 22 ARG NH2 N 5.347 10.689 6.118 1.00 . A A . 22 ARG NH2 1 1
9 3982 1 1 22 ARG O O 2.225 5.361 -0.135 1.00 . A A . 22 ARG O 1 1
9 3983 1 1 23 TYR C C -0.390 3.918 1.890 1.00 . A A . 23 TYR C 1 1
9 3984 1 1 23 TYR CA C 1.043 3.525 1.585 1.00 . A A . 23 TYR CA 1 1
9 3985 1 1 23 TYR CB C 1.424 2.251 2.337 1.00 . A A . 23 TYR CB 1 1
9 3986 1 1 23 TYR CD1 C 3.830 2.362 3.091 1.00 . A A . 23 TYR CD1 1 1
9 3987 1 1 23 TYR CD2 C 3.318 1.112 1.130 1.00 . A A . 23 TYR CD2 1 1
9 3988 1 1 23 TYR CE1 C 5.168 2.058 2.943 1.00 . A A . 23 TYR CE1 1 1
9 3989 1 1 23 TYR CE2 C 4.653 0.798 0.978 1.00 . A A . 23 TYR CE2 1 1
9 3990 1 1 23 TYR CG C 2.884 1.897 2.186 1.00 . A A . 23 TYR CG 1 1
9 3991 1 1 23 TYR CZ C 5.574 1.273 1.885 1.00 . A A . 23 TYR CZ 1 1
9 3992 1 1 23 TYR H H 2.149 4.729 2.905 1.00 . A A . 23 TYR H 1 1
9 3993 1 1 23 TYR HA H 1.148 3.356 0.524 1.00 . A A . 23 TYR HA 1 1
9 3994 1 1 23 TYR HB2 H 1.219 2.384 3.387 1.00 . A A . 23 TYR HB2 1 1
9 3995 1 1 23 TYR HB3 H 0.839 1.426 1.958 1.00 . A A . 23 TYR HB3 1 1
9 3996 1 1 23 TYR HD1 H 3.507 2.976 3.919 1.00 . A A . 23 TYR HD1 1 1
9 3997 1 1 23 TYR HD2 H 2.594 0.742 0.420 1.00 . A A . 23 TYR HD2 1 1
9 3998 1 1 23 TYR HE1 H 5.886 2.431 3.657 1.00 . A A . 23 TYR HE1 1 1
9 3999 1 1 23 TYR HE2 H 4.969 0.185 0.148 1.00 . A A . 23 TYR HE2 1 1
9 4000 1 1 23 TYR HH H 7.149 1.065 0.795 1.00 . A A . 23 TYR HH 1 1
9 4001 1 1 23 TYR N N 1.927 4.605 1.959 1.00 . A A . 23 TYR N 1 1
9 4002 1 1 23 TYR O O -0.866 3.780 3.021 1.00 . A A . 23 TYR O 1 1
9 4003 1 1 23 TYR OH O 6.908 0.969 1.729 1.00 . A A . 23 TYR OH 1 1
9 4004 1 1 24 GLU C C -3.375 3.722 0.944 1.00 . A A . 24 GLU C 1 1
9 4005 1 1 24 GLU CA C -2.422 4.906 1.019 1.00 . A A . 24 GLU CA 1 1
9 4006 1 1 24 GLU CB C -2.740 5.906 -0.092 1.00 . A A . 24 GLU CB 1 1
9 4007 1 1 24 GLU CD C -2.148 8.058 1.093 1.00 . A A . 24 GLU CD 1 1
9 4008 1 1 24 GLU CG C -1.855 7.142 -0.075 1.00 . A A . 24 GLU CG 1 1
9 4009 1 1 24 GLU H H -0.628 4.479 -0.002 1.00 . A A . 24 GLU H 1 1
9 4010 1 1 24 GLU HA H -2.518 5.391 1.978 1.00 . A A . 24 GLU HA 1 1
9 4011 1 1 24 GLU HB2 H -2.616 5.415 -1.043 1.00 . A A . 24 GLU HB2 1 1
9 4012 1 1 24 GLU HB3 H -3.767 6.222 0.007 1.00 . A A . 24 GLU HB3 1 1
9 4013 1 1 24 GLU HG2 H -0.825 6.830 -0.012 1.00 . A A . 24 GLU HG2 1 1
9 4014 1 1 24 GLU HG3 H -2.008 7.692 -0.991 1.00 . A A . 24 GLU HG3 1 1
9 4015 1 1 24 GLU N N -1.059 4.436 0.880 1.00 . A A . 24 GLU N 1 1
9 4016 1 1 24 GLU O O -3.348 2.980 -0.028 1.00 . A A . 24 GLU O 1 1
9 4017 1 1 24 GLU OE1 O -3.009 8.954 0.945 1.00 . A A . 24 GLU OE1 1 1
9 4018 1 1 24 GLU OE2 O -1.517 7.900 2.159 1.00 . A A . 24 GLU OE2 1 1
9 4019 1 1 25 MVA C C -6.438 2.542 2.640 1.00 . A A . 25 MVA C 1 1
9 4020 1 1 25 MVA CA C -5.086 2.321 1.960 1.00 . A A . 25 MVA CA 1 1
9 4021 1 1 25 MVA CB C -4.365 1.098 2.599 1.00 . A A . 25 MVA CB 1 1
9 4022 1 1 25 MVA CG1 C -3.808 1.412 3.980 1.00 . A A . 25 MVA CG1 1 1
9 4023 1 1 25 MVA CG2 C -5.304 -0.099 2.663 1.00 . A A . 25 MVA CG2 1 1
9 4024 1 1 25 MVA CN C -4.355 4.539 3.023 1.00 . A A . 25 MVA CN 1 1
9 4025 1 1 25 MVA HA H -5.301 2.046 0.936 1.00 . A A . 25 MVA HA 1 1
9 4026 1 1 25 MVA HB H -3.535 0.832 1.963 1.00 . A A . 25 MVA HB 1 1
9 4027 1 1 25 MVA HG11 H -4.609 1.742 4.624 1.00 . A A . 25 MVA HG11 1 1
9 4028 1 1 25 MVA HG12 H -3.064 2.190 3.899 1.00 . A A . 25 MVA HG12 1 1
9 4029 1 1 25 MVA HG13 H -3.357 0.522 4.396 1.00 . A A . 25 MVA HG13 1 1
9 4030 1 1 25 MVA HG21 H -6.155 0.144 3.283 1.00 . A A . 25 MVA HG21 1 1
9 4031 1 1 25 MVA HG22 H -4.782 -0.945 3.085 1.00 . A A . 25 MVA HG22 1 1
9 4032 1 1 25 MVA HG23 H -5.643 -0.343 1.667 1.00 . A A . 25 MVA HG23 1 1
9 4033 1 1 25 MVA HN1 H -5.187 4.291 3.662 1.00 . A A . 25 MVA HN1 1 1
9 4034 1 1 25 MVA HN2 H -4.517 5.511 2.582 1.00 . A A . 25 MVA HN2 1 1
9 4035 1 1 25 MVA HN3 H -3.448 4.554 3.608 1.00 . A A . 25 MVA HN3 1 1
9 4036 1 1 25 MVA N N -4.235 3.523 1.951 1.00 . A A . 25 MVA N 1 1
9 4037 1 1 25 MVA O O -6.541 2.740 3.852 1.00 . A A . 25 MVA O 1 1
9 4038 1 1 26 HIS C C -9.540 1.277 2.132 1.00 . A A . 26 HIS C 1 1
9 4039 1 1 26 HIS CA C -8.843 2.613 2.300 1.00 . A A . 26 HIS CA 1 1
9 4040 1 1 26 HIS CB C -9.595 3.693 1.516 1.00 . A A . 26 HIS CB 1 1
9 4041 1 1 26 HIS CD2 C -8.029 5.731 1.127 1.00 . A A . 26 HIS CD2 1 1
9 4042 1 1 26 HIS CE1 C -8.945 7.118 2.556 1.00 . A A . 26 HIS CE1 1 1
9 4043 1 1 26 HIS CG C -9.065 5.083 1.716 1.00 . A A . 26 HIS CG 1 1
9 4044 1 1 26 HIS H H -7.321 2.309 0.872 1.00 . A A . 26 HIS H 1 1
9 4045 1 1 26 HIS HA H -8.820 2.875 3.347 1.00 . A A . 26 HIS HA 1 1
9 4046 1 1 26 HIS HB2 H -9.537 3.465 0.462 1.00 . A A . 26 HIS HB2 1 1
9 4047 1 1 26 HIS HB3 H -10.630 3.687 1.820 1.00 . A A . 26 HIS HB3 1 1
9 4048 1 1 26 HIS HD1 H -10.393 5.815 3.188 1.00 . A A . 26 HIS HD1 1 1
9 4049 1 1 26 HIS HD2 H -7.373 5.331 0.368 1.00 . A A . 26 HIS HD2 1 1
9 4050 1 1 26 HIS HE1 H -9.153 8.002 3.140 1.00 . A A . 26 HIS HE1 1 1
9 4051 1 1 26 HIS HE2 H -7.278 7.659 1.489 1.00 . A A . 26 HIS HE2 1 1
9 4052 1 1 26 HIS N N -7.478 2.484 1.829 1.00 . A A . 26 HIS N 1 1
9 4053 1 1 26 HIS ND1 N -9.617 5.983 2.606 1.00 . A A . 26 HIS ND1 1 1
9 4054 1 1 26 HIS NE2 N -7.977 6.991 1.667 1.00 . A A . 26 HIS NE2 1 1
9 4055 1 1 26 HIS O O -9.568 0.721 1.036 1.00 . A A . 26 HIS O 1 1
9 4056 1 1 27 CYS C C -12.046 -0.554 3.827 1.00 . A A . 27 CYS C 1 1
9 4057 1 1 27 CYS CA C -10.677 -0.569 3.162 1.00 . A A . 27 CYS CA 1 1
9 4058 1 1 27 CYS CB C -9.755 -1.578 3.846 1.00 . A A . 27 CYS CB 1 1
9 4059 1 1 27 CYS H H -10.083 1.253 4.048 1.00 . A A . 27 CYS H 1 1
9 4060 1 1 27 CYS HA H -10.793 -0.846 2.126 1.00 . A A . 27 CYS HA 1 1
9 4061 1 1 27 CYS HB2 H -8.730 -1.330 3.614 1.00 . A A . 27 CYS HB2 1 1
9 4062 1 1 27 CYS HB3 H -9.901 -1.518 4.912 1.00 . A A . 27 CYS HB3 1 1
9 4063 1 1 27 CYS N N -10.081 0.748 3.207 1.00 . A A . 27 CYS N 1 1
9 4064 1 1 27 CYS O O -12.177 -0.813 5.025 1.00 . A A . 27 CYS O 1 1
9 4065 1 1 27 CYS SG S -10.035 -3.304 3.342 1.00 . A A . 27 CYS SG 1 1
9 4066 1 1 28 NH2 HN1 H -12.888 -0.044 2.105 1.00 . A A . 28 NH2 HN1 1 1
9 4067 1 1 28 NH2 HN2 H -13.961 -0.220 3.448 1.00 . A A . 28 NH2 HN2 1 1
9 4068 1 1 28 NH2 N N -13.066 -0.241 3.050 1.00 . A A . 28 NH2 N 1 1
10 4069 1 1 1 ASN C C 10.957 -3.293 -1.694 1.00 . A A . 1 ASN C 1 1
10 4070 1 1 1 ASN CA C 12.038 -2.600 -0.875 1.00 . A A . 1 ASN CA 1 1
10 4071 1 1 1 ASN CB C 11.985 -1.090 -1.130 1.00 . A A . 1 ASN CB 1 1
10 4072 1 1 1 ASN CG C 12.975 -0.323 -0.279 1.00 . A A . 1 ASN CG 1 1
10 4073 1 1 1 ASN H1 H 13.407 -4.164 -0.988 1.00 . A A . 1 ASN H1 1 1
10 4074 1 1 1 ASN H2 H 14.111 -2.661 -0.662 1.00 . A A . 1 ASN H2 1 1
10 4075 1 1 1 ASN H3 H 13.566 -3.021 -2.223 1.00 . A A . 1 ASN H3 1 1
10 4076 1 1 1 ASN HA H 11.851 -2.787 0.172 1.00 . A A . 1 ASN HA 1 1
10 4077 1 1 1 ASN HB2 H 12.208 -0.899 -2.168 1.00 . A A . 1 ASN HB2 1 1
10 4078 1 1 1 ASN HB3 H 10.992 -0.730 -0.907 1.00 . A A . 1 ASN HB3 1 1
10 4079 1 1 1 ASN HD21 H 13.093 1.109 -1.654 1.00 . A A . 1 ASN HD21 1 1
10 4080 1 1 1 ASN HD22 H 14.076 1.328 -0.245 1.00 . A A . 1 ASN HD22 1 1
10 4081 1 1 1 ASN N N 13.374 -3.148 -1.210 1.00 . A A . 1 ASN N 1 1
10 4082 1 1 1 ASN ND2 N 13.423 0.820 -0.773 1.00 . A A . 1 ASN ND2 1 1
10 4083 1 1 1 ASN O O 10.430 -2.731 -2.656 1.00 . A A . 1 ASN O 1 1
10 4084 1 1 1 ASN OD1 O 13.327 -0.752 0.819 1.00 . A A . 1 ASN OD1 1 1
10 4085 1 1 2 ASP C C 8.233 -4.978 -1.401 1.00 . A A . 2 ASP C 1 1
10 4086 1 1 2 ASP CA C 9.600 -5.286 -1.995 1.00 . A A . 2 ASP CA 1 1
10 4087 1 1 2 ASP CB C 9.888 -6.787 -1.903 1.00 . A A . 2 ASP CB 1 1
10 4088 1 1 2 ASP CG C 9.771 -7.325 -0.491 1.00 . A A . 2 ASP CG 1 1
10 4089 1 1 2 ASP H H 11.113 -4.928 -0.559 1.00 . A A . 2 ASP H 1 1
10 4090 1 1 2 ASP HA H 9.599 -4.991 -3.033 1.00 . A A . 2 ASP HA 1 1
10 4091 1 1 2 ASP HB2 H 9.185 -7.317 -2.527 1.00 . A A . 2 ASP HB2 1 1
10 4092 1 1 2 ASP HB3 H 10.890 -6.975 -2.258 1.00 . A A . 2 ASP HB3 1 1
10 4093 1 1 2 ASP N N 10.635 -4.518 -1.314 1.00 . A A . 2 ASP N 1 1
10 4094 1 1 2 ASP O O 7.198 -5.378 -1.939 1.00 . A A . 2 ASP O 1 1
10 4095 1 1 2 ASP OD1 O 8.994 -8.280 -0.273 1.00 . A A . 2 ASP OD1 1 1
10 4096 1 1 2 ASP OD2 O 10.434 -6.781 0.414 1.00 . A A . 2 ASP OD2 1 1
10 4097 1 1 3 B3K C C 5.428 -2.143 -0.502 1.00 . A A . 3 B3K C 1 1
10 4098 1 1 3 B3K CA C 6.733 -2.399 0.204 1.00 . A A . 3 B3K CA 1 1
10 4099 1 1 3 B3K CB C 6.994 -3.892 0.366 1.00 . A A . 3 B3K CB 1 1
10 4100 1 1 3 B3K CD C 7.172 -5.694 2.170 1.00 . A A . 3 B3K CD 1 1
10 4101 1 1 3 B3K CE C 7.214 -5.936 3.667 1.00 . A A . 3 B3K CE 1 1
10 4102 1 1 3 B3K CF C 7.369 -7.409 3.996 1.00 . A A . 3 B3K CF 1 1
10 4103 1 1 3 B3K CG C 7.037 -4.213 1.861 1.00 . A A . 3 B3K CG 1 1
10 4104 1 1 3 B3K H H 9.084 -4.010 0.124 1.00 . A A . 3 B3K H 1 1
10 4105 1 1 3 B3K HA1 H 6.694 -1.940 1.179 1.00 . A A . 3 B3K HA1 1 1
10 4106 1 1 3 B3K HA2 H 7.531 -1.954 -0.373 1.00 . A A . 3 B3K HA2 1 1
10 4107 1 1 3 B3K HB H 6.197 -4.448 -0.127 1.00 . A A . 3 B3K HB 1 1
10 4108 1 1 3 B3K HD2 H 8.084 -6.065 1.726 1.00 . A A . 3 B3K HD2 1 1
10 4109 1 1 3 B3K HD3 H 6.325 -6.218 1.753 1.00 . A A . 3 B3K HD3 1 1
10 4110 1 1 3 B3K HE2 H 6.297 -5.571 4.107 1.00 . A A . 3 B3K HE2 1 1
10 4111 1 1 3 B3K HE3 H 8.052 -5.398 4.082 1.00 . A A . 3 B3K HE3 1 1
10 4112 1 1 3 B3K HF1 H 8.269 -7.776 3.527 1.00 . A A . 3 B3K HF1 1 1
10 4113 1 1 3 B3K HF2 H 6.517 -7.943 3.605 1.00 . A A . 3 B3K HF2 1 1
10 4114 1 1 3 B3K HG2 H 6.127 -3.854 2.320 1.00 . A A . 3 B3K HG2 1 1
10 4115 1 1 3 B3K HG3 H 7.878 -3.699 2.303 1.00 . A A . 3 B3K HG3 1 1
10 4116 1 1 3 B3K HNZ1 H 7.571 -8.658 5.658 1.00 . A A . 3 B3K HNZ1 1 1
10 4117 1 1 3 B3K HNZ2 H 6.591 -7.308 5.930 1.00 . A A . 3 B3K HNZ2 1 1
10 4118 1 1 3 B3K N N 8.232 -4.272 -0.278 1.00 . A A . 3 B3K N 1 1
10 4119 1 1 3 B3K NZ N 7.457 -7.642 5.462 1.00 . A A . 3 B3K NZ 1 1
10 4120 1 1 3 B3K O O 4.350 -2.415 0.033 1.00 . A A . 3 B3K O 1 1
10 4121 1 1 4 CYS C C 3.840 -2.781 -3.040 1.00 . A A . 4 CYS C 1 1
10 4122 1 1 4 CYS CA C 4.353 -1.440 -2.545 1.00 . A A . 4 CYS CA 1 1
10 4123 1 1 4 CYS CB C 4.664 -0.522 -3.729 1.00 . A A . 4 CYS CB 1 1
10 4124 1 1 4 CYS H H 6.408 -1.393 -2.073 1.00 . A A . 4 CYS H 1 1
10 4125 1 1 4 CYS HA H 3.592 -0.982 -1.933 1.00 . A A . 4 CYS HA 1 1
10 4126 1 1 4 CYS HB2 H 5.466 -0.950 -4.310 1.00 . A A . 4 CYS HB2 1 1
10 4127 1 1 4 CYS HB3 H 3.783 -0.437 -4.346 1.00 . A A . 4 CYS HB3 1 1
10 4128 1 1 4 CYS N N 5.524 -1.636 -1.720 1.00 . A A . 4 CYS N 1 1
10 4129 1 1 4 CYS O O 2.672 -3.099 -2.844 1.00 . A A . 4 CYS O 1 1
10 4130 1 1 4 CYS SG S 5.164 1.159 -3.249 1.00 . A A . 4 CYS SG 1 1
10 4131 1 1 5 LYS C C 3.646 -5.727 -3.179 1.00 . A A . 5 LYS C 1 1
10 4132 1 1 5 LYS CA C 4.367 -4.868 -4.212 1.00 . A A . 5 LYS CA 1 1
10 4133 1 1 5 LYS CB C 5.606 -5.601 -4.734 1.00 . A A . 5 LYS CB 1 1
10 4134 1 1 5 LYS CD C 7.660 -5.563 -6.175 1.00 . A A . 5 LYS CD 1 1
10 4135 1 1 5 LYS CE C 8.557 -4.713 -7.061 1.00 . A A . 5 LYS CE 1 1
10 4136 1 1 5 LYS CG C 6.396 -4.820 -5.771 1.00 . A A . 5 LYS CG 1 1
10 4137 1 1 5 LYS H H 5.677 -3.298 -3.661 1.00 . A A . 5 LYS H 1 1
10 4138 1 1 5 LYS HA H 3.695 -4.679 -5.036 1.00 . A A . 5 LYS HA 1 1
10 4139 1 1 5 LYS HB2 H 6.260 -5.812 -3.901 1.00 . A A . 5 LYS HB2 1 1
10 4140 1 1 5 LYS HB3 H 5.293 -6.534 -5.179 1.00 . A A . 5 LYS HB3 1 1
10 4141 1 1 5 LYS HD2 H 8.205 -5.833 -5.284 1.00 . A A . 5 LYS HD2 1 1
10 4142 1 1 5 LYS HD3 H 7.380 -6.457 -6.713 1.00 . A A . 5 LYS HD3 1 1
10 4143 1 1 5 LYS HE2 H 8.780 -3.793 -6.545 1.00 . A A . 5 LYS HE2 1 1
10 4144 1 1 5 LYS HE3 H 9.476 -5.253 -7.241 1.00 . A A . 5 LYS HE3 1 1
10 4145 1 1 5 LYS HG2 H 5.780 -4.674 -6.645 1.00 . A A . 5 LYS HG2 1 1
10 4146 1 1 5 LYS HG3 H 6.669 -3.862 -5.356 1.00 . A A . 5 LYS HG3 1 1
10 4147 1 1 5 LYS HZ1 H 7.036 -3.871 -8.219 1.00 . A A . 5 LYS HZ1 1 1
10 4148 1 1 5 LYS HZ2 H 7.719 -5.264 -8.892 1.00 . A A . 5 LYS HZ2 1 1
10 4149 1 1 5 LYS HZ3 H 8.565 -3.802 -8.938 1.00 . A A . 5 LYS HZ3 1 1
10 4150 1 1 5 LYS N N 4.736 -3.578 -3.632 1.00 . A A . 5 LYS N 1 1
10 4151 1 1 5 LYS NZ N 7.924 -4.389 -8.367 1.00 . A A . 5 LYS NZ 1 1
10 4152 1 1 5 LYS O O 2.441 -5.965 -3.289 1.00 . A A . 5 LYS O 1 1
10 4153 1 1 6 B3E C C 2.586 -5.782 0.749 1.00 . A A . 6 B3E C 1 1
10 4154 1 1 6 B3E CA C 3.906 -6.281 0.219 1.00 . A A . 6 B3E CA 1 1
10 4155 1 1 6 B3E CB C 3.775 -6.978 -1.130 1.00 . A A . 6 B3E CB 1 1
10 4156 1 1 6 B3E CD C 4.442 -9.152 -2.299 1.00 . A A . 6 B3E CD 1 1
10 4157 1 1 6 B3E CE C 4.924 -10.569 -2.089 1.00 . A A . 6 B3E CE 1 1
10 4158 1 1 6 B3E CG C 4.470 -8.338 -1.016 1.00 . A A . 6 B3E CG 1 1
10 4159 1 1 6 B3E H H 5.341 -5.976 -2.135 1.00 . A A . 6 B3E H 1 1
10 4160 1 1 6 B3E HA1 H 4.316 -6.978 0.933 1.00 . A A . 6 B3E HA1 1 1
10 4161 1 1 6 B3E HA2 H 4.571 -5.439 0.121 1.00 . A A . 6 B3E HA2 1 1
10 4162 1 1 6 B3E HB H 2.712 -7.081 -1.390 1.00 . A A . 6 B3E HB 1 1
10 4163 1 1 6 B3E HD2 H 5.079 -8.674 -3.028 1.00 . A A . 6 B3E HD2 1 1
10 4164 1 1 6 B3E HD3 H 3.430 -9.182 -2.670 1.00 . A A . 6 B3E HD3 1 1
10 4165 1 1 6 B3E HG2 H 3.984 -8.912 -0.242 1.00 . A A . 6 B3E HG2 1 1
10 4166 1 1 6 B3E HG3 H 5.502 -8.181 -0.739 1.00 . A A . 6 B3E HG3 1 1
10 4167 1 1 6 B3E N N 4.378 -6.184 -2.173 1.00 . A A . 6 B3E N 1 1
10 4168 1 1 6 B3E O O 1.701 -6.560 1.125 1.00 . A A . 6 B3E O 1 1
10 4169 1 1 6 B3E OF1 O 4.075 -11.465 -1.909 1.00 . A A . 6 B3E OF1 1 1
10 4170 1 1 6 B3E OF2 O 6.149 -10.798 -2.089 1.00 . A A . 6 B3E OF2 1 1
10 4171 1 1 7 LEU C C 0.118 -3.896 0.261 1.00 . A A . 7 LEU C 1 1
10 4172 1 1 7 LEU CA C 1.243 -3.851 1.286 1.00 . A A . 7 LEU CA 1 1
10 4173 1 1 7 LEU CB C 1.521 -2.419 1.743 1.00 . A A . 7 LEU CB 1 1
10 4174 1 1 7 LEU CD1 C 2.734 -0.851 3.280 1.00 . A A . 7 LEU CD1 1 1
10 4175 1 1 7 LEU CD2 C 2.181 -3.152 4.062 1.00 . A A . 7 LEU CD2 1 1
10 4176 1 1 7 LEU CG C 2.563 -2.297 2.860 1.00 . A A . 7 LEU CG 1 1
10 4177 1 1 7 LEU H H 3.161 -3.892 0.413 1.00 . A A . 7 LEU H 1 1
10 4178 1 1 7 LEU HA H 0.936 -4.431 2.142 1.00 . A A . 7 LEU HA 1 1
10 4179 1 1 7 LEU HB2 H 1.863 -1.851 0.890 1.00 . A A . 7 LEU HB2 1 1
10 4180 1 1 7 LEU HB3 H 0.597 -1.989 2.096 1.00 . A A . 7 LEU HB3 1 1
10 4181 1 1 7 LEU HD11 H 3.469 -0.790 4.068 1.00 . A A . 7 LEU HD11 1 1
10 4182 1 1 7 LEU HD12 H 1.789 -0.468 3.637 1.00 . A A . 7 LEU HD12 1 1
10 4183 1 1 7 LEU HD13 H 3.064 -0.269 2.432 1.00 . A A . 7 LEU HD13 1 1
10 4184 1 1 7 LEU HD21 H 2.214 -4.196 3.790 1.00 . A A . 7 LEU HD21 1 1
10 4185 1 1 7 LEU HD22 H 1.183 -2.895 4.382 1.00 . A A . 7 LEU HD22 1 1
10 4186 1 1 7 LEU HD23 H 2.875 -2.967 4.868 1.00 . A A . 7 LEU HD23 1 1
10 4187 1 1 7 LEU HG H 3.516 -2.649 2.492 1.00 . A A . 7 LEU HG 1 1
10 4188 1 1 7 LEU N N 2.441 -4.465 0.764 1.00 . A A . 7 LEU N 1 1
10 4189 1 1 7 LEU O O -1.012 -4.210 0.619 1.00 . A A . 7 LEU O 1 1
10 4190 1 1 8 LYS C C -1.153 -5.128 -2.075 1.00 . A A . 8 LYS C 1 1
10 4191 1 1 8 LYS CA C -0.619 -3.706 -2.036 1.00 . A A . 8 LYS CA 1 1
10 4192 1 1 8 LYS CB C -0.107 -3.277 -3.416 1.00 . A A . 8 LYS CB 1 1
10 4193 1 1 8 LYS CD C -0.690 -2.723 -5.806 1.00 . A A . 8 LYS CD 1 1
10 4194 1 1 8 LYS CE C 0.451 -3.525 -6.413 1.00 . A A . 8 LYS CE 1 1
10 4195 1 1 8 LYS CG C -1.176 -3.323 -4.496 1.00 . A A . 8 LYS CG 1 1
10 4196 1 1 8 LYS H H 1.329 -3.356 -1.263 1.00 . A A . 8 LYS H 1 1
10 4197 1 1 8 LYS HA H -1.421 -3.048 -1.740 1.00 . A A . 8 LYS HA 1 1
10 4198 1 1 8 LYS HB2 H 0.266 -2.265 -3.351 1.00 . A A . 8 LYS HB2 1 1
10 4199 1 1 8 LYS HB3 H 0.701 -3.930 -3.710 1.00 . A A . 8 LYS HB3 1 1
10 4200 1 1 8 LYS HD2 H -1.510 -2.705 -6.506 1.00 . A A . 8 LYS HD2 1 1
10 4201 1 1 8 LYS HD3 H -0.349 -1.715 -5.623 1.00 . A A . 8 LYS HD3 1 1
10 4202 1 1 8 LYS HE2 H 1.289 -3.507 -5.731 1.00 . A A . 8 LYS HE2 1 1
10 4203 1 1 8 LYS HE3 H 0.124 -4.544 -6.555 1.00 . A A . 8 LYS HE3 1 1
10 4204 1 1 8 LYS HG2 H -1.454 -4.352 -4.665 1.00 . A A . 8 LYS HG2 1 1
10 4205 1 1 8 LYS HG3 H -2.037 -2.768 -4.155 1.00 . A A . 8 LYS HG3 1 1
10 4206 1 1 8 LYS HZ1 H 0.086 -2.968 -8.392 1.00 . A A . 8 LYS HZ1 1 1
10 4207 1 1 8 LYS HZ2 H 1.652 -3.539 -8.118 1.00 . A A . 8 LYS HZ2 1 1
10 4208 1 1 8 LYS HZ3 H 1.218 -1.990 -7.603 1.00 . A A . 8 LYS HZ3 1 1
10 4209 1 1 8 LYS N N 0.415 -3.615 -1.013 1.00 . A A . 8 LYS N 1 1
10 4210 1 1 8 LYS NZ N 0.882 -2.966 -7.722 1.00 . A A . 8 LYS NZ 1 1
10 4211 1 1 8 LYS O O -2.343 -5.354 -1.880 1.00 . A A . 8 LYS O 1 1
10 4212 1 1 9 B3K C C -1.178 -8.414 -0.011 1.00 . A A . 9 B3K C 1 1
10 4213 1 1 9 B3K CA C -0.132 -8.189 -1.070 1.00 . A A . 9 B3K CA 1 1
10 4214 1 1 9 B3K CB C -0.666 -7.472 -2.309 1.00 . A A . 9 B3K CB 1 1
10 4215 1 1 9 B3K CD C -0.547 -7.648 -4.868 1.00 . A A . 9 B3K CD 1 1
10 4216 1 1 9 B3K CE C 0.152 -8.346 -6.027 1.00 . A A . 9 B3K CE 1 1
10 4217 1 1 9 B3K CF C -0.124 -9.844 -6.031 1.00 . A A . 9 B3K CF 1 1
10 4218 1 1 9 B3K CG C -0.067 -8.187 -3.528 1.00 . A A . 9 B3K CG 1 1
10 4219 1 1 9 B3K H H 0.678 -5.856 -2.457 1.00 . A A . 9 B3K H 1 1
10 4220 1 1 9 B3K HA1 H 0.261 -9.148 -1.366 1.00 . A A . 9 B3K HA1 1 1
10 4221 1 1 9 B3K HA2 H 0.662 -7.598 -0.638 1.00 . A A . 9 B3K HA2 1 1
10 4222 1 1 9 B3K HB H -1.770 -7.486 -2.308 1.00 . A A . 9 B3K HB 1 1
10 4223 1 1 9 B3K HD2 H -0.338 -6.589 -4.917 1.00 . A A . 9 B3K HD2 1 1
10 4224 1 1 9 B3K HD3 H -1.612 -7.811 -4.951 1.00 . A A . 9 B3K HD3 1 1
10 4225 1 1 9 B3K HE2 H 1.215 -8.185 -5.942 1.00 . A A . 9 B3K HE2 1 1
10 4226 1 1 9 B3K HE3 H -0.204 -7.924 -6.955 1.00 . A A . 9 B3K HE3 1 1
10 4227 1 1 9 B3K HF1 H -1.176 -10.004 -6.219 1.00 . A A . 9 B3K HF1 1 1
10 4228 1 1 9 B3K HF2 H 0.132 -10.247 -5.063 1.00 . A A . 9 B3K HF2 1 1
10 4229 1 1 9 B3K HG2 H -0.324 -9.234 -3.473 1.00 . A A . 9 B3K HG2 1 1
10 4230 1 1 9 B3K HG3 H 1.008 -8.090 -3.492 1.00 . A A . 9 B3K HG3 1 1
10 4231 1 1 9 B3K HNZ1 H 0.463 -11.574 -7.036 1.00 . A A . 9 B3K HNZ1 1 1
10 4232 1 1 9 B3K HNZ2 H 1.684 -10.410 -6.906 1.00 . A A . 9 B3K HNZ2 1 1
10 4233 1 1 9 B3K N N -0.267 -6.090 -2.298 1.00 . A A . 9 B3K N 1 1
10 4234 1 1 9 B3K NZ N 0.666 -10.553 -7.070 1.00 . A A . 9 B3K NZ 1 1
10 4235 1 1 9 B3K O O -2.061 -9.262 -0.149 1.00 . A A . 9 B3K O 1 1
10 4236 1 1 10 ARG C C -3.290 -7.030 1.994 1.00 . A A . 10 ARG C 1 1
10 4237 1 1 10 ARG CA C -1.968 -7.768 2.204 1.00 . A A . 10 ARG CA 1 1
10 4238 1 1 10 ARG CB C -1.286 -7.241 3.468 1.00 . A A . 10 ARG CB 1 1
10 4239 1 1 10 ARG CD C 0.637 -7.406 5.083 1.00 . A A . 10 ARG CD 1 1
10 4240 1 1 10 ARG CG C 0.004 -7.965 3.817 1.00 . A A . 10 ARG CG 1 1
10 4241 1 1 10 ARG CZ C 2.691 -7.739 6.420 1.00 . A A . 10 ARG CZ 1 1
10 4242 1 1 10 ARG H H -0.361 -6.955 1.085 1.00 . A A . 10 ARG H 1 1
10 4243 1 1 10 ARG HA H -2.177 -8.817 2.333 1.00 . A A . 10 ARG HA 1 1
10 4244 1 1 10 ARG HB2 H -1.059 -6.193 3.330 1.00 . A A . 10 ARG HB2 1 1
10 4245 1 1 10 ARG HB3 H -1.967 -7.344 4.297 1.00 . A A . 10 ARG HB3 1 1
10 4246 1 1 10 ARG HD2 H 0.774 -6.341 4.962 1.00 . A A . 10 ARG HD2 1 1
10 4247 1 1 10 ARG HD3 H -0.027 -7.591 5.914 1.00 . A A . 10 ARG HD3 1 1
10 4248 1 1 10 ARG HE H 2.262 -8.691 4.712 1.00 . A A . 10 ARG HE 1 1
10 4249 1 1 10 ARG HG2 H -0.212 -9.012 3.968 1.00 . A A . 10 ARG HG2 1 1
10 4250 1 1 10 ARG HG3 H 0.700 -7.853 2.999 1.00 . A A . 10 ARG HG3 1 1
10 4251 1 1 10 ARG HH11 H 2.860 -6.643 8.116 1.00 . A A . 10 ARG HH11 1 1
10 4252 1 1 10 ARG HH12 H 1.398 -6.394 7.217 1.00 . A A . 10 ARG HH12 1 1
10 4253 1 1 10 ARG HH21 H 4.435 -8.141 7.373 1.00 . A A . 10 ARG HH21 1 1
10 4254 1 1 10 ARG HH22 H 4.164 -9.036 5.911 1.00 . A A . 10 ARG HH22 1 1
10 4255 1 1 10 ARG N N -1.076 -7.634 1.059 1.00 . A A . 10 ARG N 1 1
10 4256 1 1 10 ARG NE N 1.933 -8.024 5.361 1.00 . A A . 10 ARG NE 1 1
10 4257 1 1 10 ARG NH1 N 2.283 -6.853 7.321 1.00 . A A . 10 ARG NH1 1 1
10 4258 1 1 10 ARG NH2 N 3.857 -8.350 6.580 1.00 . A A . 10 ARG NH2 1 1
10 4259 1 1 10 ARG O O -4.314 -7.412 2.559 1.00 . A A . 10 ARG O 1 1
10 4260 1 1 11 TYR C C -5.112 -5.383 -0.353 1.00 . A A . 11 TYR C 1 1
10 4261 1 1 11 TYR CA C -4.454 -5.141 1.005 1.00 . A A . 11 TYR CA 1 1
10 4262 1 1 11 TYR CB C -4.079 -3.665 1.157 1.00 . A A . 11 TYR CB 1 1
10 4263 1 1 11 TYR CD1 C -4.388 -3.541 3.661 1.00 . A A . 11 TYR CD1 1 1
10 4264 1 1 11 TYR CD2 C -2.354 -2.713 2.739 1.00 . A A . 11 TYR CD2 1 1
10 4265 1 1 11 TYR CE1 C -3.953 -3.208 4.927 1.00 . A A . 11 TYR CE1 1 1
10 4266 1 1 11 TYR CE2 C -1.912 -2.378 4.003 1.00 . A A . 11 TYR CE2 1 1
10 4267 1 1 11 TYR CG C -3.597 -3.301 2.544 1.00 . A A . 11 TYR CG 1 1
10 4268 1 1 11 TYR CZ C -2.714 -2.627 5.093 1.00 . A A . 11 TYR CZ 1 1
10 4269 1 1 11 TYR H H -2.448 -5.757 0.702 1.00 . A A . 11 TYR H 1 1
10 4270 1 1 11 TYR HA H -5.157 -5.401 1.779 1.00 . A A . 11 TYR HA 1 1
10 4271 1 1 11 TYR HB2 H -3.290 -3.429 0.460 1.00 . A A . 11 TYR HB2 1 1
10 4272 1 1 11 TYR HB3 H -4.941 -3.057 0.934 1.00 . A A . 11 TYR HB3 1 1
10 4273 1 1 11 TYR HD1 H -5.357 -3.998 3.528 1.00 . A A . 11 TYR HD1 1 1
10 4274 1 1 11 TYR HD2 H -1.724 -2.521 1.882 1.00 . A A . 11 TYR HD2 1 1
10 4275 1 1 11 TYR HE1 H -4.581 -3.402 5.782 1.00 . A A . 11 TYR HE1 1 1
10 4276 1 1 11 TYR HE2 H -0.944 -1.922 4.132 1.00 . A A . 11 TYR HE2 1 1
10 4277 1 1 11 TYR HH H -1.980 -1.379 6.360 1.00 . A A . 11 TYR HH 1 1
10 4278 1 1 11 TYR N N -3.272 -5.979 1.188 1.00 . A A . 11 TYR N 1 1
10 4279 1 1 11 TYR O O -5.719 -4.477 -0.927 1.00 . A A . 11 TYR O 1 1
10 4280 1 1 11 TYR OH O -2.276 -2.299 6.356 1.00 . A A . 11 TYR OH 1 1
10 4281 1 1 12 ABA C C -7.080 -6.642 -2.199 1.00 . A A . 12 AIB C 1 1
10 4282 1 1 12 ABA CA C -5.595 -7.031 -2.125 1.00 . A A . 12 AIB CA 1 1
10 4283 1 1 12 ABA H H -4.525 -7.287 -0.307 1.00 . A A . 12 AIB H 1 1
10 4284 1 1 12 ABA N N -5.013 -6.621 -0.834 1.00 . A A . 12 AIB N 1 1
10 4285 1 1 12 ABA O O -7.571 -6.219 -3.249 1.00 . A A . 12 AIB O 1 1
10 4286 1 1 13 GLY C C -9.525 -5.099 -0.574 1.00 . A A . 13 GLY C 1 1
10 4287 1 1 13 GLY CA C -9.205 -6.497 -1.065 1.00 . A A . 13 GLY CA 1 1
10 4288 1 1 13 GLY H H -7.332 -7.070 -0.263 1.00 . A A . 13 GLY H 1 1
10 4289 1 1 13 GLY HA2 H -9.593 -6.610 -2.066 1.00 . A A . 13 GLY HA2 1 1
10 4290 1 1 13 GLY HA3 H -9.691 -7.211 -0.421 1.00 . A A . 13 GLY HA3 1 1
10 4291 1 1 13 GLY N N -7.783 -6.778 -1.084 1.00 . A A . 13 GLY N 1 1
10 4292 1 1 13 GLY O O -10.640 -4.832 -0.124 1.00 . A A . 13 GLY O 1 1
10 4293 1 1 14 CYS C C -8.243 -1.888 -1.319 1.00 . A A . 14 CYS C 1 1
10 4294 1 1 14 CYS CA C -8.744 -2.830 -0.234 1.00 . A A . 14 CYS CA 1 1
10 4295 1 1 14 CYS CB C -7.982 -2.560 1.064 1.00 . A A . 14 CYS CB 1 1
10 4296 1 1 14 CYS H H -7.671 -4.484 -0.990 1.00 . A A . 14 CYS H 1 1
10 4297 1 1 14 CYS HA H -9.798 -2.666 -0.074 1.00 . A A . 14 CYS HA 1 1
10 4298 1 1 14 CYS HB2 H -6.928 -2.698 0.882 1.00 . A A . 14 CYS HB2 1 1
10 4299 1 1 14 CYS HB3 H -8.155 -1.538 1.368 1.00 . A A . 14 CYS HB3 1 1
10 4300 1 1 14 CYS N N -8.552 -4.209 -0.648 1.00 . A A . 14 CYS N 1 1
10 4301 1 1 14 CYS O O -7.514 -2.305 -2.219 1.00 . A A . 14 CYS O 1 1
10 4302 1 1 14 CYS SG S -8.452 -3.642 2.455 1.00 . A A . 14 CYS SG 1 1
10 4303 1 1 15 GLU C C -6.714 0.769 -1.600 1.00 . A A . 15 GLU C 1 1
10 4304 1 1 15 GLU CA C -8.089 0.386 -2.125 1.00 . A A . 15 GLU CA 1 1
10 4305 1 1 15 GLU CB C -8.989 1.623 -2.192 1.00 . A A . 15 GLU CB 1 1
10 4306 1 1 15 GLU CD C -10.175 0.809 -4.266 1.00 . A A . 15 GLU CD 1 1
10 4307 1 1 15 GLU CG C -10.324 1.370 -2.866 1.00 . A A . 15 GLU CG 1 1
10 4308 1 1 15 GLU H H -9.346 -0.379 -0.599 1.00 . A A . 15 GLU H 1 1
10 4309 1 1 15 GLU HA H -7.988 -0.038 -3.111 1.00 . A A . 15 GLU HA 1 1
10 4310 1 1 15 GLU HB2 H -9.178 1.971 -1.187 1.00 . A A . 15 GLU HB2 1 1
10 4311 1 1 15 GLU HB3 H -8.473 2.397 -2.740 1.00 . A A . 15 GLU HB3 1 1
10 4312 1 1 15 GLU HG2 H -10.883 0.664 -2.272 1.00 . A A . 15 GLU HG2 1 1
10 4313 1 1 15 GLU HG3 H -10.866 2.301 -2.921 1.00 . A A . 15 GLU HG3 1 1
10 4314 1 1 15 GLU N N -8.654 -0.631 -1.253 1.00 . A A . 15 GLU N 1 1
10 4315 1 1 15 GLU O O -6.583 1.171 -0.447 1.00 . A A . 15 GLU O 1 1
10 4316 1 1 15 GLU OE1 O -9.521 1.466 -5.104 1.00 . A A . 15 GLU OE1 1 1
10 4317 1 1 15 GLU OE2 O -10.713 -0.285 -4.542 1.00 . A A . 15 GLU OE2 1 1
10 4318 1 1 16 MVA C C -3.382 1.572 -2.916 1.00 . A A . 16 MVA C 1 1
10 4319 1 1 16 MVA CA C -4.300 0.873 -1.908 1.00 . A A . 16 MVA CA 1 1
10 4320 1 1 16 MVA CB C -3.655 -0.460 -1.423 1.00 . A A . 16 MVA CB 1 1
10 4321 1 1 16 MVA CG1 C -3.635 -1.518 -2.516 1.00 . A A . 16 MVA CG1 1 1
10 4322 1 1 16 MVA CG2 C -2.249 -0.213 -0.892 1.00 . A A . 16 MVA CG2 1 1
10 4323 1 1 16 MVA CN C -5.896 0.357 -3.854 1.00 . A A . 16 MVA CN 1 1
10 4324 1 1 16 MVA HA H -4.357 1.519 -1.040 1.00 . A A . 16 MVA HA 1 1
10 4325 1 1 16 MVA HB H -4.254 -0.841 -0.609 1.00 . A A . 16 MVA HB 1 1
10 4326 1 1 16 MVA HG11 H -3.031 -1.170 -3.341 1.00 . A A . 16 MVA HG11 1 1
10 4327 1 1 16 MVA HG12 H -4.642 -1.700 -2.859 1.00 . A A . 16 MVA HG12 1 1
10 4328 1 1 16 MVA HG13 H -3.218 -2.432 -2.124 1.00 . A A . 16 MVA HG13 1 1
10 4329 1 1 16 MVA HG21 H -2.291 0.492 -0.073 1.00 . A A . 16 MVA HG21 1 1
10 4330 1 1 16 MVA HG22 H -1.631 0.192 -1.682 1.00 . A A . 16 MVA HG22 1 1
10 4331 1 1 16 MVA HG23 H -1.824 -1.144 -0.546 1.00 . A A . 16 MVA HG23 1 1
10 4332 1 1 16 MVA HN1 H -4.978 0.497 -4.403 1.00 . A A . 16 MVA HN1 1 1
10 4333 1 1 16 MVA HN2 H -6.654 1.021 -4.245 1.00 . A A . 16 MVA HN2 1 1
10 4334 1 1 16 MVA HN3 H -6.224 -0.667 -3.960 1.00 . A A . 16 MVA HN3 1 1
10 4335 1 1 16 MVA N N -5.666 0.658 -2.421 1.00 . A A . 16 MVA N 1 1
10 4336 1 1 16 MVA O O -3.091 1.066 -4.005 1.00 . A A . 16 MVA O 1 1
10 4337 1 1 17 ARG C C -0.702 3.703 -2.748 1.00 . A A . 17 ARG C 1 1
10 4338 1 1 17 ARG CA C -2.071 3.555 -3.389 1.00 . A A . 17 ARG CA 1 1
10 4339 1 1 17 ARG CB C -2.676 4.943 -3.621 1.00 . A A . 17 ARG CB 1 1
10 4340 1 1 17 ARG CD C -4.388 4.151 -5.293 1.00 . A A . 17 ARG CD 1 1
10 4341 1 1 17 ARG CG C -4.146 4.928 -4.009 1.00 . A A . 17 ARG CG 1 1
10 4342 1 1 17 ARG CZ C -4.037 4.558 -7.696 1.00 . A A . 17 ARG CZ 1 1
10 4343 1 1 17 ARG H H -3.143 3.080 -1.631 1.00 . A A . 17 ARG H 1 1
10 4344 1 1 17 ARG HA H -1.968 3.047 -4.335 1.00 . A A . 17 ARG HA 1 1
10 4345 1 1 17 ARG HB2 H -2.573 5.521 -2.719 1.00 . A A . 17 ARG HB2 1 1
10 4346 1 1 17 ARG HB3 H -2.125 5.429 -4.411 1.00 . A A . 17 ARG HB3 1 1
10 4347 1 1 17 ARG HD2 H -4.069 3.131 -5.145 1.00 . A A . 17 ARG HD2 1 1
10 4348 1 1 17 ARG HD3 H -5.445 4.167 -5.511 1.00 . A A . 17 ARG HD3 1 1
10 4349 1 1 17 ARG HE H -2.843 5.228 -6.238 1.00 . A A . 17 ARG HE 1 1
10 4350 1 1 17 ARG HG2 H -4.710 4.468 -3.212 1.00 . A A . 17 ARG HG2 1 1
10 4351 1 1 17 ARG HG3 H -4.481 5.946 -4.144 1.00 . A A . 17 ARG HG3 1 1
10 4352 1 1 17 ARG HH11 H -5.709 3.491 -7.263 1.00 . A A . 17 ARG HH11 1 1
10 4353 1 1 17 ARG HH12 H -5.428 3.777 -8.950 1.00 . A A . 17 ARG HH12 1 1
10 4354 1 1 17 ARG HH21 H -3.579 4.973 -9.624 1.00 . A A . 17 ARG HH21 1 1
10 4355 1 1 17 ARG HH22 H -2.467 5.592 -8.444 1.00 . A A . 17 ARG HH22 1 1
10 4356 1 1 17 ARG N N -2.925 2.752 -2.534 1.00 . A A . 17 ARG N 1 1
10 4357 1 1 17 ARG NE N -3.662 4.712 -6.430 1.00 . A A . 17 ARG NE 1 1
10 4358 1 1 17 ARG NH1 N -5.146 3.886 -7.993 1.00 . A A . 17 ARG NH1 1 1
10 4359 1 1 17 ARG NH2 N -3.304 5.081 -8.665 1.00 . A A . 17 ARG NH2 1 1
10 4360 1 1 17 ARG O O -0.529 4.479 -1.804 1.00 . A A . 17 ARG O 1 1
10 4361 1 1 18 CYS C C 2.476 3.882 -3.628 1.00 . A A . 18 CYS C 1 1
10 4362 1 1 18 CYS CA C 1.611 3.025 -2.723 1.00 . A A . 18 CYS CA 1 1
10 4363 1 1 18 CYS CB C 2.228 1.636 -2.592 1.00 . A A . 18 CYS CB 1 1
10 4364 1 1 18 CYS H H 0.057 2.320 -3.967 1.00 . A A . 18 CYS H 1 1
10 4365 1 1 18 CYS HA H 1.567 3.482 -1.745 1.00 . A A . 18 CYS HA 1 1
10 4366 1 1 18 CYS HB2 H 1.565 1.008 -2.017 1.00 . A A . 18 CYS HB2 1 1
10 4367 1 1 18 CYS HB3 H 2.356 1.215 -3.578 1.00 . A A . 18 CYS HB3 1 1
10 4368 1 1 18 CYS N N 0.259 2.946 -3.238 1.00 . A A . 18 CYS N 1 1
10 4369 1 1 18 CYS O O 2.617 3.602 -4.824 1.00 . A A . 18 CYS O 1 1
10 4370 1 1 18 CYS SG S 3.856 1.633 -1.772 1.00 . A A . 18 CYS SG 1 1
10 4371 1 1 19 ASP C C 5.172 6.067 -2.911 1.00 . A A . 19 ASP C 1 1
10 4372 1 1 19 ASP CA C 3.953 5.796 -3.779 1.00 . A A . 19 ASP CA 1 1
10 4373 1 1 19 ASP CB C 3.277 7.110 -4.168 1.00 . A A . 19 ASP CB 1 1
10 4374 1 1 19 ASP CG C 4.082 7.890 -5.189 1.00 . A A . 19 ASP CG 1 1
10 4375 1 1 19 ASP H H 2.844 5.124 -2.114 1.00 . A A . 19 ASP H 1 1
10 4376 1 1 19 ASP HA H 4.265 5.278 -4.673 1.00 . A A . 19 ASP HA 1 1
10 4377 1 1 19 ASP HB2 H 2.305 6.897 -4.588 1.00 . A A . 19 ASP HB2 1 1
10 4378 1 1 19 ASP HB3 H 3.159 7.721 -3.286 1.00 . A A . 19 ASP HB3 1 1
10 4379 1 1 19 ASP N N 3.039 4.931 -3.059 1.00 . A A . 19 ASP N 1 1
10 4380 1 1 19 ASP O O 5.149 6.951 -2.049 1.00 . A A . 19 ASP O 1 1
10 4381 1 1 19 ASP OD1 O 4.890 8.756 -4.793 1.00 . A A . 19 ASP OD1 1 1
10 4382 1 1 19 ASP OD2 O 3.904 7.644 -6.405 1.00 . A A . 19 ASP OD2 1 1
10 4383 1 1 20 DPR C C 7.161 5.148 -0.813 1.00 . A A . 20 DPR C 1 1
10 4384 1 1 20 DPR CA C 7.455 5.374 -2.296 1.00 . A A . 20 DPR CA 1 1
10 4385 1 1 20 DPR CB C 8.346 4.260 -2.844 1.00 . A A . 20 DPR CB 1 1
10 4386 1 1 20 DPR CD C 6.364 4.274 -4.171 1.00 . A A . 20 DPR CD 1 1
10 4387 1 1 20 DPR CG C 7.838 3.998 -4.217 1.00 . A A . 20 DPR CG 1 1
10 4388 1 1 20 DPR HA H 7.952 6.319 -2.423 1.00 . A A . 20 DPR HA 1 1
10 4389 1 1 20 DPR HB2 H 8.256 3.386 -2.219 1.00 . A A . 20 DPR HB2 1 1
10 4390 1 1 20 DPR HB3 H 9.372 4.594 -2.860 1.00 . A A . 20 DPR HB3 1 1
10 4391 1 1 20 DPR HD2 H 5.819 3.379 -3.910 1.00 . A A . 20 DPR HD2 1 1
10 4392 1 1 20 DPR HD3 H 6.028 4.662 -5.120 1.00 . A A . 20 DPR HD3 1 1
10 4393 1 1 20 DPR HG2 H 8.020 2.969 -4.487 1.00 . A A . 20 DPR HG2 1 1
10 4394 1 1 20 DPR HG3 H 8.322 4.661 -4.919 1.00 . A A . 20 DPR HG3 1 1
10 4395 1 1 20 DPR N N 6.243 5.291 -3.114 1.00 . A A . 20 DPR N 1 1
10 4396 1 1 20 DPR O O 6.696 4.077 -0.415 1.00 . A A . 20 DPR O 1 1
10 4397 1 1 21 PRO C C 5.710 6.271 1.826 1.00 . A A . 21 PRO C 1 1
10 4398 1 1 21 PRO CA C 7.185 6.094 1.463 1.00 . A A . 21 PRO CA 1 1
10 4399 1 1 21 PRO CB C 8.004 7.262 2.010 1.00 . A A . 21 PRO CB 1 1
10 4400 1 1 21 PRO CD C 8.064 7.432 -0.373 1.00 . A A . 21 PRO CD 1 1
10 4401 1 1 21 PRO CG C 8.048 8.244 0.893 1.00 . A A . 21 PRO CG 1 1
10 4402 1 1 21 PRO HA H 7.549 5.172 1.884 1.00 . A A . 21 PRO HA 1 1
10 4403 1 1 21 PRO HB2 H 7.513 7.672 2.879 1.00 . A A . 21 PRO HB2 1 1
10 4404 1 1 21 PRO HB3 H 8.993 6.921 2.274 1.00 . A A . 21 PRO HB3 1 1
10 4405 1 1 21 PRO HD2 H 7.490 7.918 -1.143 1.00 . A A . 21 PRO HD2 1 1
10 4406 1 1 21 PRO HD3 H 9.079 7.272 -0.703 1.00 . A A . 21 PRO HD3 1 1
10 4407 1 1 21 PRO HG2 H 7.171 8.873 0.921 1.00 . A A . 21 PRO HG2 1 1
10 4408 1 1 21 PRO HG3 H 8.943 8.842 0.965 1.00 . A A . 21 PRO HG3 1 1
10 4409 1 1 21 PRO N N 7.439 6.159 0.022 1.00 . A A . 21 PRO N 1 1
10 4410 1 1 21 PRO O O 5.320 6.058 2.975 1.00 . A A . 21 PRO O 1 1
10 4411 1 1 22 ARG C C 2.661 5.645 0.845 1.00 . A A . 22 ARG C 1 1
10 4412 1 1 22 ARG CA C 3.477 6.896 1.118 1.00 . A A . 22 ARG CA 1 1
10 4413 1 1 22 ARG CB C 2.949 8.061 0.281 1.00 . A A . 22 ARG CB 1 1
10 4414 1 1 22 ARG CD C 3.036 9.758 2.145 1.00 . A A . 22 ARG CD 1 1
10 4415 1 1 22 ARG CG C 3.471 9.420 0.724 1.00 . A A . 22 ARG CG 1 1
10 4416 1 1 22 ARG CZ C 0.944 9.724 3.461 1.00 . A A . 22 ARG CZ 1 1
10 4417 1 1 22 ARG H H 5.239 6.777 -0.059 1.00 . A A . 22 ARG H 1 1
10 4418 1 1 22 ARG HA H 3.378 7.144 2.163 1.00 . A A . 22 ARG HA 1 1
10 4419 1 1 22 ARG HB2 H 3.237 7.908 -0.748 1.00 . A A . 22 ARG HB2 1 1
10 4420 1 1 22 ARG HB3 H 1.872 8.073 0.345 1.00 . A A . 22 ARG HB3 1 1
10 4421 1 1 22 ARG HD2 H 3.438 9.016 2.818 1.00 . A A . 22 ARG HD2 1 1
10 4422 1 1 22 ARG HD3 H 3.432 10.728 2.407 1.00 . A A . 22 ARG HD3 1 1
10 4423 1 1 22 ARG HE H 1.043 9.852 1.464 1.00 . A A . 22 ARG HE 1 1
10 4424 1 1 22 ARG HG2 H 4.549 9.409 0.683 1.00 . A A . 22 ARG HG2 1 1
10 4425 1 1 22 ARG HG3 H 3.091 10.175 0.052 1.00 . A A . 22 ARG HG3 1 1
10 4426 1 1 22 ARG HH11 H 1.158 9.618 5.474 1.00 . A A . 22 ARG HH11 1 1
10 4427 1 1 22 ARG HH12 H 2.639 9.676 4.575 1.00 . A A . 22 ARG HH12 1 1
10 4428 1 1 22 ARG HH21 H -0.865 9.684 4.381 1.00 . A A . 22 ARG HH21 1 1
10 4429 1 1 22 ARG HH22 H -0.913 9.789 2.651 1.00 . A A . 22 ARG HH22 1 1
10 4430 1 1 22 ARG N N 4.890 6.662 0.856 1.00 . A A . 22 ARG N 1 1
10 4431 1 1 22 ARG NE N 1.578 9.787 2.288 1.00 . A A . 22 ARG NE 1 1
10 4432 1 1 22 ARG NH1 N 1.635 9.666 4.593 1.00 . A A . 22 ARG NH1 1 1
10 4433 1 1 22 ARG NH2 N -0.383 9.732 3.500 1.00 . A A . 22 ARG NH2 1 1
10 4434 1 1 22 ARG O O 2.661 5.115 -0.265 1.00 . A A . 22 ARG O 1 1
10 4435 1 1 23 TYR C C -0.286 4.270 2.078 1.00 . A A . 23 TYR C 1 1
10 4436 1 1 23 TYR CA C 1.172 3.970 1.770 1.00 . A A . 23 TYR CA 1 1
10 4437 1 1 23 TYR CB C 1.697 2.918 2.744 1.00 . A A . 23 TYR CB 1 1
10 4438 1 1 23 TYR CD1 C 4.081 3.021 3.557 1.00 . A A . 23 TYR CD1 1 1
10 4439 1 1 23 TYR CD2 C 3.652 1.947 1.476 1.00 . A A . 23 TYR CD2 1 1
10 4440 1 1 23 TYR CE1 C 5.429 2.763 3.418 1.00 . A A . 23 TYR CE1 1 1
10 4441 1 1 23 TYR CE2 C 4.999 1.681 1.330 1.00 . A A . 23 TYR CE2 1 1
10 4442 1 1 23 TYR CG C 3.171 2.620 2.591 1.00 . A A . 23 TYR CG 1 1
10 4443 1 1 23 TYR CZ C 5.878 2.055 2.315 1.00 . A A . 23 TYR CZ 1 1
10 4444 1 1 23 TYR H H 1.972 5.678 2.714 1.00 . A A . 23 TYR H 1 1
10 4445 1 1 23 TYR HA H 1.252 3.594 0.760 1.00 . A A . 23 TYR HA 1 1
10 4446 1 1 23 TYR HB2 H 1.534 3.261 3.753 1.00 . A A . 23 TYR HB2 1 1
10 4447 1 1 23 TYR HB3 H 1.153 1.997 2.590 1.00 . A A . 23 TYR HB3 1 1
10 4448 1 1 23 TYR HD1 H 3.722 3.543 4.430 1.00 . A A . 23 TYR HD1 1 1
10 4449 1 1 23 TYR HD2 H 2.955 1.626 0.717 1.00 . A A . 23 TYR HD2 1 1
10 4450 1 1 23 TYR HE1 H 6.120 3.085 4.183 1.00 . A A . 23 TYR HE1 1 1
10 4451 1 1 23 TYR HE2 H 5.352 1.155 0.456 1.00 . A A . 23 TYR HE2 1 1
10 4452 1 1 23 TYR HH H 7.584 1.527 3.006 1.00 . A A . 23 TYR HH 1 1
10 4453 1 1 23 TYR N N 1.963 5.182 1.867 1.00 . A A . 23 TYR N 1 1
10 4454 1 1 23 TYR O O -0.698 4.280 3.238 1.00 . A A . 23 TYR O 1 1
10 4455 1 1 23 TYR OH O 7.230 1.832 2.162 1.00 . A A . 23 TYR OH 1 1
10 4456 1 1 24 GLU C C -3.333 3.609 1.140 1.00 . A A . 24 GLU C 1 1
10 4457 1 1 24 GLU CA C -2.466 4.861 1.209 1.00 . A A . 24 GLU CA 1 1
10 4458 1 1 24 GLU CB C -2.897 5.850 0.133 1.00 . A A . 24 GLU CB 1 1
10 4459 1 1 24 GLU CD C -2.642 8.145 -0.864 1.00 . A A . 24 GLU CD 1 1
10 4460 1 1 24 GLU CG C -2.181 7.186 0.209 1.00 . A A . 24 GLU CG 1 1
10 4461 1 1 24 GLU H H -0.689 4.456 0.134 1.00 . A A . 24 GLU H 1 1
10 4462 1 1 24 GLU HA H -2.582 5.319 2.178 1.00 . A A . 24 GLU HA 1 1
10 4463 1 1 24 GLU HB2 H -2.699 5.415 -0.832 1.00 . A A . 24 GLU HB2 1 1
10 4464 1 1 24 GLU HB3 H -3.957 6.026 0.226 1.00 . A A . 24 GLU HB3 1 1
10 4465 1 1 24 GLU HG2 H -2.373 7.631 1.175 1.00 . A A . 24 GLU HG2 1 1
10 4466 1 1 24 GLU HG3 H -1.121 7.020 0.091 1.00 . A A . 24 GLU HG3 1 1
10 4467 1 1 24 GLU N N -1.063 4.518 1.041 1.00 . A A . 24 GLU N 1 1
10 4468 1 1 24 GLU O O -3.147 2.782 0.252 1.00 . A A . 24 GLU O 1 1
10 4469 1 1 24 GLU OE1 O -3.775 8.657 -0.759 1.00 . A A . 24 GLU OE1 1 1
10 4470 1 1 24 GLU OE2 O -1.874 8.396 -1.815 1.00 . A A . 24 GLU OE2 1 1
10 4471 1 1 25 MVA C C -6.530 2.449 2.699 1.00 . A A . 25 MVA C 1 1
10 4472 1 1 25 MVA CA C -5.145 2.241 2.062 1.00 . A A . 25 MVA CA 1 1
10 4473 1 1 25 MVA CB C -4.428 1.047 2.749 1.00 . A A . 25 MVA CB 1 1
10 4474 1 1 25 MVA CG1 C -4.012 1.372 4.177 1.00 . A A . 25 MVA CG1 1 1
10 4475 1 1 25 MVA CG2 C -5.310 -0.191 2.720 1.00 . A A . 25 MVA CG2 1 1
10 4476 1 1 25 MVA CN C -4.513 4.515 3.072 1.00 . A A . 25 MVA CN 1 1
10 4477 1 1 25 MVA HA H -5.319 1.944 1.036 1.00 . A A . 25 MVA HA 1 1
10 4478 1 1 25 MVA HB H -3.532 0.828 2.186 1.00 . A A . 25 MVA HB 1 1
10 4479 1 1 25 MVA HG11 H -4.885 1.640 4.753 1.00 . A A . 25 MVA HG11 1 1
10 4480 1 1 25 MVA HG12 H -3.316 2.199 4.168 1.00 . A A . 25 MVA HG12 1 1
10 4481 1 1 25 MVA HG13 H -3.539 0.507 4.618 1.00 . A A . 25 MVA HG13 1 1
10 4482 1 1 25 MVA HG21 H -5.537 -0.448 1.697 1.00 . A A . 25 MVA HG21 1 1
10 4483 1 1 25 MVA HG22 H -6.227 0.009 3.253 1.00 . A A . 25 MVA HG22 1 1
10 4484 1 1 25 MVA HG23 H -4.792 -1.013 3.193 1.00 . A A . 25 MVA HG23 1 1
10 4485 1 1 25 MVA HN1 H -5.402 4.293 3.643 1.00 . A A . 25 MVA HN1 1 1
10 4486 1 1 25 MVA HN2 H -4.633 5.466 2.574 1.00 . A A . 25 MVA HN2 1 1
10 4487 1 1 25 MVA HN3 H -3.664 4.560 3.736 1.00 . A A . 25 MVA HN3 1 1
10 4488 1 1 25 MVA N N -4.299 3.452 2.062 1.00 . A A . 25 MVA N 1 1
10 4489 1 1 25 MVA O O -6.669 2.815 3.869 1.00 . A A . 25 MVA O 1 1
10 4490 1 1 26 HIS C C -9.675 1.004 2.096 1.00 . A A . 26 HIS C 1 1
10 4491 1 1 26 HIS CA C -8.942 2.318 2.333 1.00 . A A . 26 HIS CA 1 1
10 4492 1 1 26 HIS CB C -9.650 3.439 1.565 1.00 . A A . 26 HIS CB 1 1
10 4493 1 1 26 HIS CD2 C -8.053 5.442 1.134 1.00 . A A . 26 HIS CD2 1 1
10 4494 1 1 26 HIS CE1 C -8.814 6.795 2.675 1.00 . A A . 26 HIS CE1 1 1
10 4495 1 1 26 HIS CG C -9.061 4.802 1.775 1.00 . A A . 26 HIS CG 1 1
10 4496 1 1 26 HIS H H -7.376 1.880 0.988 1.00 . A A . 26 HIS H 1 1
10 4497 1 1 26 HIS HA H -8.949 2.546 3.387 1.00 . A A . 26 HIS HA 1 1
10 4498 1 1 26 HIS HB2 H -9.608 3.220 0.509 1.00 . A A . 26 HIS HB2 1 1
10 4499 1 1 26 HIS HB3 H -10.684 3.474 1.875 1.00 . A A . 26 HIS HB3 1 1
10 4500 1 1 26 HIS HD1 H -10.250 5.512 3.364 1.00 . A A . 26 HIS HD1 1 1
10 4501 1 1 26 HIS HD2 H -7.465 5.054 0.315 1.00 . A A . 26 HIS HD2 1 1
10 4502 1 1 26 HIS HE1 H -8.949 7.658 3.305 1.00 . A A . 26 HIS HE1 1 1
10 4503 1 1 26 HIS HE2 H -7.176 7.301 1.558 1.00 . A A . 26 HIS HE2 1 1
10 4504 1 1 26 HIS N N -7.558 2.192 1.901 1.00 . A A . 26 HIS N 1 1
10 4505 1 1 26 HIS ND1 N -9.514 5.680 2.735 1.00 . A A . 26 HIS ND1 1 1
10 4506 1 1 26 HIS NE2 N -7.921 6.677 1.713 1.00 . A A . 26 HIS NE2 1 1
10 4507 1 1 26 HIS O O -9.907 0.616 0.953 1.00 . A A . 26 HIS O 1 1
10 4508 1 1 27 CYS C C -12.237 -0.722 3.156 1.00 . A A . 27 CYS C 1 1
10 4509 1 1 27 CYS CA C -10.734 -0.949 3.063 1.00 . A A . 27 CYS CA 1 1
10 4510 1 1 27 CYS CB C -10.277 -1.914 4.157 1.00 . A A . 27 CYS CB 1 1
10 4511 1 1 27 CYS H H -9.786 0.660 4.055 1.00 . A A . 27 CYS H 1 1
10 4512 1 1 27 CYS HA H -10.504 -1.379 2.099 1.00 . A A . 27 CYS HA 1 1
10 4513 1 1 27 CYS HB2 H -10.434 -1.454 5.120 1.00 . A A . 27 CYS HB2 1 1
10 4514 1 1 27 CYS HB3 H -10.866 -2.816 4.095 1.00 . A A . 27 CYS HB3 1 1
10 4515 1 1 27 CYS N N -10.019 0.315 3.168 1.00 . A A . 27 CYS N 1 1
10 4516 1 1 27 CYS O O -12.856 -0.935 4.203 1.00 . A A . 27 CYS O 1 1
10 4517 1 1 27 CYS SG S -8.519 -2.386 4.048 1.00 . A A . 27 CYS SG 1 1
10 4518 1 1 28 NH2 HN1 H -12.269 -0.145 1.258 1.00 . A A . 28 NH2 HN1 1 1
10 4519 1 1 28 NH2 HN2 H -13.791 -0.138 2.080 1.00 . A A . 28 NH2 HN2 1 1
10 4520 1 1 28 NH2 N N -12.827 -0.293 2.056 1.00 . A A . 28 NH2 N 1 1
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