Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
633149 | 6e5k RC | 30499 | cing | 4-filtered-FRED | STAR | entry | full | 411 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6e5k
# This FRED archive file contains, for PDB entry <6e5k>:
#
# - 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_6e5k
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6e5k
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 3030.38
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__Aib_helix__N_methyl_hairpin A . 1 1
stop_
save_
save_Designed_peptide_NC_HEE_D1__Aib_turn__Aib_helix__N_methyl_hairpin
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Designed peptide NC HEE D1 Aib turn Aib helix N methyl hairpin"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code NDXCKXLKXRYXGCEXRCDXPRYEXHCX
_Entity.Number_of_monomers 28
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 ABA $ABA 1 1
4 CYS . 1 1
5 LYS . 1 1
6 ABA $ABA 1 1
7 LEU . 1 1
8 LYS . 1 1
9 ABA $ABA 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_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
ASN 1 1 1 1
ASP 2 2 1 1
ABA 3 3 1 1
CYS 4 4 1 1
LYS 5 5 1 1
ABA 6 6 1 1
LEU 7 7 1 1
LYS 8 8 1 1
ABA 9 9 1 1
ARG 10 10 1 1
TYR 11 11 1 1
ABA 12 12 1 1
GLY 13 13 1 1
CYS 14 14 1 1
GLU 15 15 1 1
MVA 16 16 1 1
ARG 17 17 1 1
CYS 18 18 1 1
ASP 19 19 1 1
DPR 20 20 1 1
PRO 21 21 1 1
ARG 22 22 1 1
TYR 23 23 1 1
GLU 24 24 1 1
MVA 25 25 1 1
HIS 26 26 1 1
CYS 27 27 1 1
NH2 28 28 1 1
stop_
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_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 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
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68 1 . . . 1 1
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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
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80 1 . . . 1 1
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84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
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88 1 . . . 1 1
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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
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100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
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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
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152 1 . . . 1 1
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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
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167 1 . . . 1 1
168 1 . . . 1 1
169 1 . . . 1 1
170 1 . . . 1 1
171 1 . . . 1 1
172 1 . . . 1 1
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174 1 . . . 1 1
175 1 . . . 1 1
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182 1 . . . 1 1
183 1 . . . 1 1
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186 1 . . . 1 1
187 1 . . . 1 1
188 1 . . . 1 1
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190 1 . . . 1 1
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196 1 . . . 1 1
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198 1 . . . 1 1
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200 1 . . . 1 1
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202 1 . . . 1 1
203 1 . . . 1 1
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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
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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
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230 1 . . . 1 1
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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
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246 1 . . . 1 1
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250 1 . . . 1 1
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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
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305 1 . . . 1 1
306 1 . . . 1 1
307 1 . . . 1 1
308 1 . . . 1 1
309 1 . . . 1 1
310 1 . . . 1 1
311 1 . . . 1 1
312 1 . . . 1 1
313 1 . . . 1 1
314 1 . . . 1 1
315 1 . . . 1 1
316 1 . . . 1 1
317 1 . . . 1 1
318 1 . . . 1 1
319 1 . . . 1 1
320 1 . . . 1 1
321 1 . . . 1 1
322 1 . . . 1 1
323 1 . . . 1 1
324 1 . . . 1 1
325 1 . . . 1 1
326 1 . . . 1 1
327 1 . . . 1 1
328 1 . . . 1 1
329 1 . . . 1 1
330 1 . . . 1 1
331 1 . . . 1 1
332 1 . . . 1 1
333 1 . . . 1 1
334 1 . . . 1 1
335 1 . . . 1 1
336 1 . . . 1 1
337 1 . . . 1 1
338 1 . . . 1 1
339 1 . . . 1 1
340 1 . . . 1 1
341 1 . . . 1 1
342 1 . . . 1 1
343 1 . . . 1 1
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 20 DPR HB2 . 20 . HB1 1 1
1 1 2 1 1 20 DPR HB3 . 20 . HB2 1 1
2 1 1 1 1 20 DPR HD2 . 20 . HD1 1 1
2 1 2 1 1 20 DPR HD3 . 20 . HD2 1 1
3 1 1 1 1 22 ARG QB . 22 . HB1 1 1
3 1 2 1 1 22 ARG QG . 22 . HG1 1 1
4 1 1 1 1 18 CYS HA . 18 . HA 1 1
4 1 2 1 1 19 ASP H . 19 . HN 1 1
5 1 1 1 1 7 LEU QB . 7 . HB1 1 1
5 1 2 1 1 7 LEU QD . 7 . HD21 1 1
6 1 1 1 1 16 MVA HA . 16 . HA 1 1
6 1 2 1 1 17 ARG H . 17 . HN 1 1
7 1 1 1 1 15 GLU QB . 15 . HB1 1 1
7 1 2 1 1 15 GLU HG2 . 15 . HG1 1 1
8 1 1 1 1 25 MVA HA . 25 . HA 1 1
8 1 2 1 1 26 HIS H . 26 . HN 1 1
9 1 1 1 1 26 HIS HA . 26 . HA 1 1
9 1 2 1 1 27 CYS H . 27 . HN 1 1
10 1 1 1 1 17 ARG HA . 17 . HA 1 1
10 1 2 1 1 18 CYS H . 18 . HN 1 1
11 1 1 1 1 23 TYR HA . 23 . HA 1 1
11 1 2 1 1 24 GLU H . 24 . HN 1 1
12 1 1 1 1 22 ARG HA . 22 . HA 1 1
12 1 2 1 1 23 TYR H . 23 . HN 1 1
13 1 1 1 1 19 ASP HA . 19 . HA 1 1
13 1 2 1 1 20 DPR HD3 . 20 . HD2 1 1
14 1 1 1 1 20 DPR HA . 20 . HA 1 1
14 1 2 1 1 21 PRO HD2 . 21 . HD2 1 1
15 1 1 1 1 16 MVA HB . 16 . HB 1 1
15 1 2 1 1 16 MVA HG21 . 16 . HG21 1 1
16 1 1 1 1 25 MVA HG11 . 25 . HG11 1 1
16 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
17 1 1 1 1 16 MVA HB . 16 . HB 1 1
17 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
18 1 1 1 1 14 CYS HA . 14 . HA 1 1
18 1 2 1 1 15 GLU H . 15 . HN 1 1
19 1 1 1 1 25 MVA HB . 25 . HB 1 1
19 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
20 1 1 1 1 11 TYR QB . 11 . HB1 1 1
20 1 2 1 1 11 TYR QD . 11 . HD1 1 1
21 1 1 1 1 25 MVA HB . 25 . HB 1 1
21 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
22 1 1 1 1 20 DPR HA . 20 . HA 1 1
22 1 2 1 1 21 PRO HD3 . 21 . HD1 1 1
23 1 1 1 1 21 PRO HB3 . 21 . HB2 1 1
23 1 2 1 1 21 PRO HG2 . 21 . HG1 1 1
24 1 1 1 1 8 LYS HA . 8 . HA 1 1
24 1 2 1 1 8 LYS QB . 8 . HB1 1 1
25 1 1 1 1 5 LYS QD . 5 . HD1 1 1
25 1 2 1 1 5 LYS QE . 5 . HE1 1 1
26 1 1 1 1 15 GLU H . 15 . HN 1 1
26 1 2 1 1 15 GLU QB . 15 . HB1 1 1
27 1 1 1 1 5 LYS H . 5 . HN 1 1
27 1 2 1 1 5 LYS QB . 5 . HB1 1 1
28 1 1 1 1 15 GLU HA . 15 . HA 1 1
28 1 2 1 1 15 GLU QB . 15 . HB1 1 1
29 1 1 1 1 8 LYS H . 8 . HN 1 1
29 1 2 1 1 8 LYS QB . 8 . HB1 1 1
30 1 1 1 1 23 TYR HA . 23 . HA 1 1
30 1 2 1 1 23 TYR QB . 23 . HB1 1 1
31 1 1 1 1 20 DPR HA . 20 . HA 1 1
31 1 2 1 1 20 DPR HB3 . 20 . HB2 1 1
32 1 1 1 1 7 LEU H . 7 . HN 1 1
32 1 2 1 1 7 LEU QB . 7 . HB2 1 1
33 1 1 1 1 22 ARG H . 22 . HN 1 1
33 1 2 1 1 22 ARG QB . 22 . HB1 1 1
34 1 1 1 1 21 PRO HA . 21 . HA 1 1
34 1 2 1 1 21 PRO HB3 . 21 . HB2 1 1
35 1 1 1 1 13 GLY H . 13 . HN 1 1
35 1 2 1 1 13 GLY HA2 . 13 . HA1 1 1
36 1 1 1 1 22 ARG HA . 22 . HA 1 1
36 1 2 1 1 22 ARG QB . 22 . HB1 1 1
37 1 1 1 1 24 GLU HB2 . 24 . HB1 1 1
37 1 2 1 1 24 GLU QG . 24 . HG1 1 1
38 1 1 1 1 14 CYS HA . 14 . HA 1 1
38 1 2 1 1 14 CYS QB . 14 . HB1 1 1
39 1 1 1 1 23 TYR QB . 23 . HB1 1 1
39 1 2 1 1 23 TYR QD . 23 . HD1 1 1
40 1 1 1 1 21 PRO HD3 . 21 . HD1 1 1
40 1 2 1 1 21 PRO HG3 . 21 . HG2 1 1
41 1 1 1 1 14 CYS QB . 14 . HB1 1 1
41 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
42 1 1 1 1 11 TYR HA . 11 . HA 1 1
42 1 2 1 1 11 TYR QD . 11 . HD1 1 1
43 1 1 1 1 14 CYS H . 14 . HN 1 1
43 1 2 1 1 14 CYS QB . 14 . HB2 1 1
44 1 1 1 1 4 CYS HA . 4 . HA 1 1
44 1 2 1 1 4 CYS QB . 4 . HB2 1 1
45 1 1 1 1 16 MVA HA . 16 . HA 1 1
45 1 2 1 1 16 MVA HG21 . 16 . HG21 1 1
46 1 1 1 1 8 LYS QB . 8 . HB1 1 1
46 1 2 1 1 8 LYS HG3 . 8 . HG2 1 1
47 1 1 1 1 2 ASP HA . 2 . HA 1 1
47 1 2 1 1 3 ABA H . 3 . HN 1 1
48 1 1 1 1 18 CYS HA . 18 . HA 1 1
48 1 2 1 1 18 CYS HB3 . 18 . HB2 1 1
49 1 1 1 1 27 CYS HA . 27 . HA 1 1
49 1 2 1 1 27 CYS HB3 . 27 . HB2 1 1
50 1 1 1 1 21 PRO HA . 21 . HA 1 1
50 1 2 1 1 21 PRO HB2 . 21 . HB1 1 1
51 1 1 1 1 14 CYS QB . 14 . HB1 1 1
51 1 2 1 1 15 GLU H . 15 . HN 1 1
52 1 1 1 1 16 MVA HA . 16 . HA 1 1
52 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
53 1 1 1 1 25 MVA HA . 25 . HA 1 1
53 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
54 1 1 1 1 27 CYS H . 27 . HN 1 1
54 1 2 1 1 27 CYS HB2 . 27 . HB1 1 1
55 1 1 1 1 19 ASP HA . 19 . HA 1 1
55 1 2 1 1 20 DPR HD2 . 20 . HD1 1 1
56 1 1 1 1 21 PRO HD2 . 21 . HD2 1 1
56 1 2 1 1 21 PRO HG2 . 21 . HG1 1 1
57 1 1 1 1 5 LYS QB . 5 . HB1 1 1
57 1 2 1 1 5 LYS HG2 . 5 . HG1 1 1
58 1 1 1 1 11 TYR QB . 11 . HB2 1 1
58 1 2 1 1 14 CYS QB . 14 . HB2 1 1
59 1 1 1 1 11 TYR HA . 11 . HA 1 1
59 1 2 1 1 11 TYR QB . 11 . HB2 1 1
60 1 1 1 1 7 LEU H . 7 . HN 1 1
60 1 2 1 1 7 LEU HG . 7 . HG 1 1
61 1 1 1 1 4 CYS H . 4 . HN 1 1
61 1 2 1 1 4 CYS QB . 4 . HB1 1 1
62 1 1 1 1 23 TYR QD . 23 . HD1 1 1
62 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
63 1 1 1 1 20 DPR HD2 . 20 . HD1 1 1
63 1 2 1 1 20 DPR HG3 . 20 . HG2 1 1
64 1 1 1 1 19 ASP HA . 19 . HA 1 1
64 1 2 1 1 19 ASP HB2 . 19 . HB1 1 1
65 1 1 1 1 7 LEU HA . 7 . HA 1 1
65 1 2 1 1 7 LEU QD . 7 . HD21 1 1
66 1 1 1 1 24 GLU HA . 24 . HA 1 1
66 1 2 1 1 24 GLU HB3 . 24 . HB2 1 1
67 1 1 1 1 26 HIS HA . 26 . HA 1 1
67 1 2 1 1 26 HIS HB3 . 26 . HB2 1 1
68 1 1 1 1 25 MVA HA . 25 . HA 1 1
68 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
69 1 1 1 1 13 GLY H . 13 . HN 1 1
69 1 2 1 1 13 GLY HA3 . 13 . HA2 1 1
70 1 1 1 1 11 TYR H . 11 . HN 1 1
70 1 2 1 1 11 TYR QB . 11 . HB1 1 1
71 1 1 1 1 10 ARG H . 10 . HN 1 1
71 1 2 1 1 11 TYR H . 11 . HN 1 1
72 1 1 1 1 7 LEU H . 7 . HN 1 1
72 1 2 1 1 8 LYS H . 8 . HN 1 1
73 1 1 1 1 20 DPR HD3 . 20 . HD2 1 1
73 1 2 1 1 20 DPR HG2 . 20 . HG1 1 1
74 1 1 1 1 24 GLU H . 24 . HN 1 1
74 1 2 1 1 24 GLU HB2 . 24 . HB1 1 1
75 1 1 1 1 26 HIS H . 26 . HN 1 1
75 1 2 1 1 26 HIS HB2 . 26 . HB1 1 1
76 1 1 1 1 18 CYS H . 18 . HN 1 1
76 1 2 1 1 18 CYS HB2 . 18 . HB1 1 1
77 1 1 1 1 10 ARG H . 10 . HN 1 1
77 1 2 1 1 10 ARG HB2 . 10 . HB2 1 1
78 1 1 1 1 11 TYR HA . 11 . HA 1 1
78 1 2 1 1 12 ABA H . 12 . HN 1 1
79 1 1 1 1 26 HIS HA . 26 . HA 1 1
79 1 2 1 1 26 HIS HB2 . 26 . HB1 1 1
80 1 1 1 1 17 ARG HB3 . 17 . HB2 1 1
80 1 2 1 1 17 ARG HG3 . 17 . HG2 1 1
81 1 1 1 1 4 CYS H . 4 . HN 1 1
81 1 2 1 1 4 CYS HA . 4 . HA 1 1
82 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
82 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
83 1 1 1 1 11 TYR QB . 11 . HB1 1 1
83 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
84 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
84 1 2 1 1 23 TYR QB . 23 . HB1 1 1
85 1 1 1 1 22 ARG QB . 22 . HB1 1 1
85 1 2 1 1 22 ARG QD . 22 . HD1 1 1
86 1 1 1 1 17 ARG H . 17 . HN 1 1
86 1 2 1 1 17 ARG HB3 . 17 . HB2 1 1
87 1 1 1 1 17 ARG HA . 17 . HA 1 1
87 1 2 1 1 17 ARG HB3 . 17 . HB2 1 1
88 1 1 1 1 21 PRO HD2 . 21 . HD2 1 1
88 1 2 1 1 21 PRO HG3 . 21 . HG2 1 1
89 1 1 1 1 23 TYR QB . 23 . HB1 1 1
89 1 2 1 1 24 GLU H . 24 . HN 1 1
90 1 1 1 1 18 CYS HA . 18 . HA 1 1
90 1 2 1 1 18 CYS HB2 . 18 . HB1 1 1
91 1 1 1 1 17 ARG HA . 17 . HA 1 1
91 1 2 1 1 17 ARG HB2 . 17 . HB1 1 1
92 1 1 1 1 17 ARG H . 17 . HN 1 1
92 1 2 1 1 17 ARG HB2 . 17 . HB1 1 1
93 1 1 1 1 22 ARG QB . 22 . HB1 1 1
93 1 2 1 1 23 TYR H . 23 . HN 1 1
94 1 1 1 1 7 LEU HA . 7 . HA 1 1
94 1 2 1 1 7 LEU QB . 7 . HB1 1 1
95 1 1 1 1 11 TYR QD . 11 . HD1 1 1
95 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
96 1 1 1 1 13 GLY H . 13 . HN 1 1
96 1 2 1 1 14 CYS H . 14 . HN 1 1
97 1 1 1 1 8 LYS HA . 8 . HA 1 1
97 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
98 1 1 1 1 24 GLU HA . 24 . HA 1 1
98 1 2 1 1 24 GLU QG . 24 . HG1 1 1
99 1 1 1 1 14 CYS QB . 14 . HB1 1 1
99 1 2 1 1 27 CYS HA . 27 . HA 1 1
100 1 1 1 1 2 ASP HA . 2 . HA 1 1
100 1 2 1 1 2 ASP HB2 . 2 . HB1 1 1
101 1 1 1 1 15 GLU QB . 15 . HB1 1 1
101 1 2 1 1 26 HIS HB2 . 26 . HB1 1 1
102 1 1 1 1 2 ASP HA . 2 . HA 1 1
102 1 2 1 1 2 ASP HB3 . 2 . HB2 1 1
103 1 1 1 1 19 ASP HA . 19 . HA 1 1
103 1 2 1 1 19 ASP HB3 . 19 . HB2 1 1
104 1 1 1 1 20 DPR HA . 20 . HA 1 1
104 1 2 1 1 20 DPR HB2 . 20 . HB1 1 1
105 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
105 1 2 1 1 23 TYR QD . 23 . HD1 1 1
106 1 1 1 1 10 ARG H . 10 . HN 1 1
106 1 2 1 1 10 ARG HB3 . 10 . HB1 1 1
107 1 1 1 1 22 ARG HA . 22 . HA 1 1
107 1 2 1 1 22 ARG QG . 22 . HG1 1 1
108 1 1 1 1 14 CYS H . 14 . HN 1 1
108 1 2 1 1 14 CYS HA . 14 . HA 1 1
109 1 1 1 1 7 LEU QD . 7 . HD21 1 1
109 1 2 1 1 16 MVA HG21 . 16 . HG21 1 1
110 1 1 1 1 4 CYS H . 4 . HN 1 1
110 1 2 1 1 5 LYS H . 5 . HN 1 1
111 1 1 1 1 17 ARG HB2 . 17 . HB1 1 1
111 1 2 1 1 17 ARG QD . 17 . HD1 1 1
112 1 1 1 1 8 LYS H . 8 . HN 1 1
112 1 2 1 1 8 LYS HA . 8 . HA 1 1
113 1 1 1 1 8 LYS HA . 8 . HA 1 1
113 1 2 1 1 9 ABA H . 9 . HN 1 1
114 1 1 1 1 19 ASP H . 19 . HN 1 1
114 1 2 1 1 19 ASP HB3 . 19 . HB2 1 1
115 1 1 1 1 11 TYR QD . 11 . HD1 1 1
115 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
116 1 1 1 1 23 TYR H . 23 . HN 1 1
116 1 2 1 1 23 TYR HA . 23 . HA 1 1
117 1 1 1 1 7 LEU QD . 7 . HD21 1 1
117 1 2 1 1 11 TYR QE . 11 . HE1 1 1
118 1 1 1 1 11 TYR H . 11 . HN 1 1
118 1 2 1 1 12 ABA H . 12 . HN 1 1
119 1 1 1 1 23 TYR QE . 23 . HE1 1 1
119 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
120 1 1 1 1 18 CYS H . 18 . HN 1 1
120 1 2 1 1 18 CYS HA . 18 . HA 1 1
121 1 1 1 1 5 LYS QB . 5 . HB1 1 1
121 1 2 1 1 6 ABA H . 6 . HN 1 1
122 1 1 1 1 6 ABA H . 6 . HN 1 1
122 1 2 1 1 7 LEU H . 7 . HN 1 1
123 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
123 1 2 1 1 17 ARG H . 17 . HN 1 1
124 1 1 1 1 5 LYS HA . 5 . HA 1 1
124 1 2 1 1 6 ABA H . 6 . HN 1 1
125 1 1 1 1 22 ARG H . 22 . HN 1 1
125 1 2 1 1 22 ARG QG . 22 . HG1 1 1
126 1 1 1 1 27 CYS HA . 27 . HA 1 1
126 1 2 1 1 27 CYS HB2 . 27 . HB1 1 1
127 1 1 1 1 17 ARG H . 17 . HN 1 1
127 1 2 1 1 17 ARG HA . 17 . HA 1 1
128 1 1 1 1 1 ASN HA . 1 . HA 1 1
128 1 2 1 1 2 ASP H . 2 . HN 1 1
129 1 1 1 1 25 MVA HG21 . 25 . HG21 1 1
129 1 2 1 1 26 HIS H . 26 . HN 1 1
130 1 1 1 1 5 LYS H . 5 . HN 1 1
130 1 2 1 1 5 LYS HA . 5 . HA 1 1
131 1 1 1 1 27 CYS H . 27 . HN 1 1
131 1 2 1 1 27 CYS HA . 27 . HA 1 1
132 1 1 1 1 11 TYR QB . 11 . HB2 1 1
132 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
133 1 1 1 1 8 LYS HA . 8 . HA 1 1
133 1 2 1 1 8 LYS HG2 . 8 . HG1 1 1
134 1 1 1 1 11 TYR H . 11 . HN 1 1
134 1 2 1 1 11 TYR HA . 11 . HA 1 1
135 1 1 1 1 11 TYR QE . 11 . HE1 1 1
135 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
136 1 1 1 1 9 ABA H . 9 . HN 1 1
136 1 2 1 1 10 ARG H . 10 . HN 1 1
137 1 1 1 1 15 GLU HA . 15 . HA 1 1
137 1 2 1 1 15 GLU HG3 . 15 . HG2 1 1
138 1 1 1 1 7 LEU HA . 7 . HA 1 1
138 1 2 1 1 8 LYS H . 8 . HN 1 1
139 1 1 1 1 8 LYS QB . 8 . HB1 1 1
139 1 2 1 1 9 ABA H . 9 . HN 1 1
140 1 1 1 1 7 LEU H . 7 . HN 1 1
140 1 2 1 1 7 LEU HA . 7 . HA 1 1
141 1 1 1 1 19 ASP H . 19 . HN 1 1
141 1 2 1 1 19 ASP HA . 19 . HA 1 1
142 1 1 1 1 21 PRO HD2 . 21 . HD2 1 1
142 1 2 1 1 22 ARG H . 22 . HN 1 1
143 1 1 1 1 20 DPR HD3 . 20 . HD2 1 1
143 1 2 1 1 20 DPR HG3 . 20 . HG2 1 1
144 1 1 1 1 20 DPR HD2 . 20 . HD1 1 1
144 1 2 1 1 20 DPR HG2 . 20 . HG1 1 1
145 1 1 1 1 22 ARG H . 22 . HN 1 1
145 1 2 1 1 22 ARG HA . 22 . HA 1 1
146 1 1 1 1 25 MVA HA . 25 . HA 1 1
146 1 2 1 1 25 MVA HB . 25 . HB 1 1
147 1 1 1 1 17 ARG HB3 . 17 . HB2 1 1
147 1 2 1 1 17 ARG QD . 17 . HD1 1 1
148 1 1 1 1 26 HIS H . 26 . HN 1 1
148 1 2 1 1 26 HIS HA . 26 . HA 1 1
149 1 1 1 1 8 LYS H . 8 . HN 1 1
149 1 2 1 1 9 ABA H . 9 . HN 1 1
150 1 1 1 1 23 TYR H . 23 . HN 1 1
150 1 2 1 1 23 TYR QD . 23 . HD1 1 1
151 1 1 1 1 7 LEU QB . 7 . HB1 1 1
151 1 2 1 1 11 TYR QD . 11 . HD1 1 1
152 1 1 1 1 24 GLU HA . 24 . HA 1 1
152 1 2 1 1 24 GLU HB2 . 24 . HB1 1 1
153 1 1 1 1 18 CYS H . 18 . HN 1 1
153 1 2 1 1 18 CYS HB3 . 18 . HB2 1 1
154 1 1 1 1 16 MVA HA . 16 . HA 1 1
154 1 2 1 1 16 MVA HB . 16 . HB 1 1
155 1 1 1 1 7 LEU QB . 7 . HB2 1 1
155 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
156 1 1 1 1 19 ASP H . 19 . HN 1 1
156 1 2 1 1 23 TYR HA . 23 . HA 1 1
157 1 1 1 1 10 ARG HA . 10 . HA 1 1
157 1 2 1 1 12 ABA H . 12 . HN 1 1
158 1 1 1 1 17 ARG H . 17 . HN 1 1
158 1 2 1 1 24 GLU H . 24 . HN 1 1
159 1 1 1 1 10 ARG HA . 10 . HA 1 1
159 1 2 1 1 10 ARG HG2 . 10 . HG2 1 1
160 1 1 1 1 21 PRO HG2 . 21 . HG1 1 1
160 1 2 1 1 22 ARG H . 22 . HN 1 1
161 1 1 1 1 8 LYS HA . 8 . HA 1 1
161 1 2 1 1 8 LYS HG3 . 8 . HG2 1 1
162 1 1 1 1 20 DPR HB2 . 20 . HB1 1 1
162 1 2 1 1 20 DPR HD2 . 20 . HD1 1 1
163 1 1 1 1 5 LYS H . 5 . HN 1 1
163 1 2 1 1 6 ABA H . 6 . HN 1 1
164 1 1 1 1 7 LEU QB . 7 . HB2 1 1
164 1 2 1 1 8 LYS H . 8 . HN 1 1
165 1 1 1 1 15 GLU H . 15 . HN 1 1
165 1 2 1 1 26 HIS H . 26 . HN 1 1
166 1 1 1 1 18 CYS HA . 18 . HA 1 1
166 1 2 1 1 23 TYR QB . 23 . HB2 1 1
167 1 1 1 1 23 TYR H . 23 . HN 1 1
167 1 2 1 1 23 TYR QB . 23 . HB1 1 1
168 1 1 1 1 24 GLU H . 24 . HN 1 1
168 1 2 1 1 24 GLU HA . 24 . HA 1 1
169 1 1 1 1 4 CYS HA . 4 . HA 1 1
169 1 2 1 1 5 LYS H . 5 . HN 1 1
170 1 1 1 1 10 ARG HA . 10 . HA 1 1
170 1 2 1 1 10 ARG HG3 . 10 . HG1 1 1
171 1 1 1 1 10 ARG HB3 . 10 . HB1 1 1
171 1 2 1 1 11 TYR QE . 11 . HE1 1 1
172 1 1 1 1 17 ARG HA . 17 . HA 1 1
172 1 2 1 1 17 ARG HG2 . 17 . HG1 1 1
173 1 1 1 1 3 ABA H . 3 . HN 1 1
173 1 2 1 1 4 CYS H . 4 . HN 1 1
174 1 1 1 1 17 ARG HA . 17 . HA 1 1
174 1 2 1 1 17 ARG HG3 . 17 . HG2 1 1
175 1 1 1 1 8 LYS H . 8 . HN 1 1
175 1 2 1 1 8 LYS HG3 . 8 . HG2 1 1
176 1 1 1 1 20 DPR HA . 20 . HA 1 1
176 1 2 1 1 20 DPR HG2 . 20 . HG1 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 24 GLU H . 24 . HN 1 1
178 1 2 1 1 24 GLU QG . 24 . HG1 1 1
179 1 1 1 1 21 PRO HB3 . 21 . HB2 1 1
179 1 2 1 1 21 PRO HD3 . 21 . HD1 1 1
180 1 1 1 1 10 ARG HB3 . 10 . HB1 1 1
180 1 2 1 1 11 TYR QD . 11 . HD1 1 1
181 1 1 1 1 24 GLU H . 24 . HN 1 1
181 1 2 1 1 24 GLU HB3 . 24 . HB2 1 1
182 1 1 1 1 13 GLY HA3 . 13 . HA2 1 1
182 1 2 1 1 14 CYS H . 14 . HN 1 1
183 1 1 1 1 23 TYR QB . 23 . HB1 1 1
183 1 2 1 1 23 TYR QE . 23 . HE1 1 1
184 1 1 1 1 7 LEU QD . 7 . HD11 1 1
184 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
185 1 1 1 1 25 MVA HG21 . 25 . HG21 1 1
185 1 2 1 1 26 HIS HA . 26 . HA 1 1
186 1 1 1 1 7 LEU HA . 7 . HA 1 1
186 1 2 1 1 10 ARG QD . 10 . HD1 1 1
187 1 1 1 1 23 TYR HA . 23 . HA 1 1
187 1 2 1 1 23 TYR QD . 23 . HD1 1 1
188 1 1 1 1 13 GLY HA2 . 13 . HA1 1 1
188 1 2 1 1 14 CYS H . 14 . HN 1 1
189 1 1 1 1 11 TYR QD . 11 . HD1 1 1
189 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
190 1 1 1 1 15 GLU QB . 15 . HB1 1 1
190 1 2 1 1 26 HIS H . 26 . HN 1 1
191 1 1 1 1 7 LEU QB . 7 . HB1 1 1
191 1 2 1 1 16 MVA HB . 16 . HB 1 1
192 1 1 1 1 7 LEU QB . 7 . HB1 1 1
192 1 2 1 1 11 TYR QE . 11 . HE1 1 1
193 1 1 1 1 4 CYS HA . 4 . HA 1 1
193 1 2 1 1 7 LEU QD . 7 . HD11 1 1
194 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
194 1 2 1 1 24 GLU H . 24 . HN 1 1
195 1 1 1 1 20 DPR HB3 . 20 . HB2 1 1
195 1 2 1 1 20 DPR HG2 . 20 . HG1 1 1
196 1 1 1 1 16 MVA HA . 16 . HA 1 1
196 1 2 1 1 26 HIS H . 26 . HN 1 1
197 1 1 1 1 15 GLU H . 15 . HN 1 1
197 1 2 1 1 27 CYS HA . 27 . HA 1 1
198 1 1 1 1 21 PRO HA . 21 . HA 1 1
198 1 2 1 1 22 ARG H . 22 . HN 1 1
199 1 1 1 1 20 DPR HB2 . 20 . HB1 1 1
199 1 2 1 1 20 DPR HD3 . 20 . HD2 1 1
200 1 1 1 1 10 ARG QD . 10 . HD1 1 1
200 1 2 1 1 11 TYR QE . 11 . HE1 1 1
201 1 1 1 1 7 LEU QD . 7 . HD11 1 1
201 1 2 1 1 23 TYR QD . 23 . HD1 1 1
202 1 1 1 1 20 DPR HB3 . 20 . HB2 1 1
202 1 2 1 1 21 PRO HD3 . 21 . HD1 1 1
203 1 1 1 1 2 ASP H . 2 . HN 1 1
203 1 2 1 1 2 ASP HB2 . 2 . HB1 1 1
204 1 1 1 1 22 ARG HA . 22 . HA 1 1
204 1 2 1 1 23 TYR QD . 23 . HD1 1 1
205 1 1 1 1 19 ASP H . 19 . HN 1 1
205 1 2 1 1 20 DPR HD2 . 20 . HD1 1 1
206 1 1 1 1 17 ARG H . 17 . HN 1 1
206 1 2 1 1 25 MVA HA . 25 . HA 1 1
207 1 1 1 1 7 LEU QD . 7 . HD21 1 1
207 1 2 1 1 10 ARG QD . 10 . HD1 1 1
208 1 1 1 1 17 ARG HB3 . 17 . HB2 1 1
208 1 2 1 1 18 CYS H . 18 . HN 1 1
209 1 1 1 1 18 CYS HA . 18 . HA 1 1
209 1 2 1 1 24 GLU H . 24 . HN 1 1
210 1 1 1 1 18 CYS HB2 . 18 . HB1 1 1
210 1 2 1 1 19 ASP H . 19 . HN 1 1
211 1 1 1 1 19 ASP H . 19 . HN 1 1
211 1 2 1 1 22 ARG H . 22 . HN 1 1
212 1 1 1 1 11 TYR QD . 11 . HD1 1 1
212 1 2 1 1 16 MVA HG21 . 16 . HG21 1 1
213 1 1 1 1 2 ASP H . 2 . HN 1 1
213 1 2 1 1 2 ASP HB3 . 2 . HB2 1 1
214 1 1 1 1 7 LEU QB . 7 . HB2 1 1
214 1 2 1 1 16 MVA HG21 . 16 . HG21 1 1
215 1 1 1 1 1 ASN QB . 1 . HB1 1 1
215 1 2 1 1 2 ASP H . 2 . HN 1 1
216 1 1 1 1 16 MVA HA . 16 . HA 1 1
216 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
217 1 1 1 1 15 GLU HA . 15 . HA 1 1
217 1 2 1 1 15 GLU HG2 . 15 . HG1 1 1
218 1 1 1 1 5 LYS HA . 5 . HA 1 1
218 1 2 1 1 5 LYS HG2 . 5 . HG1 1 1
219 1 1 1 1 22 ARG QG . 22 . HG1 1 1
219 1 2 1 1 23 TYR H . 23 . HN 1 1
220 1 1 1 1 5 LYS HA . 5 . HA 1 1
220 1 2 1 1 8 LYS H . 8 . HN 1 1
221 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
221 1 2 1 1 23 TYR QE . 23 . HE1 1 1
222 1 1 1 1 17 ARG HB2 . 17 . HB1 1 1
222 1 2 1 1 24 GLU H . 24 . HN 1 1
223 1 1 1 1 16 MVA HG11 . 16 . HG11 1 1
223 1 2 1 1 18 CYS H . 18 . HN 1 1
224 1 1 1 1 4 CYS HA . 4 . HA 1 1
224 1 2 1 1 7 LEU QB . 7 . HB2 1 1
225 1 1 1 1 21 PRO HA . 21 . HA 1 1
225 1 2 1 1 21 PRO HG2 . 21 . HG1 1 1
226 1 1 1 1 10 ARG H . 10 . HN 1 1
226 1 2 1 1 10 ARG HG3 . 10 . HG1 1 1
227 1 1 1 1 20 DPR HB3 . 20 . HB2 1 1
227 1 2 1 1 20 DPR HD2 . 20 . HD1 1 1
228 1 1 1 1 1 ASN HA . 1 . HA 1 1
228 1 2 1 1 1 ASN QB . 1 . HB1 1 1
229 1 1 1 1 4 CYS QB . 4 . HB2 1 1
229 1 2 1 1 5 LYS H . 5 . HN 1 1
230 1 1 1 1 22 ARG HE . 22 . HE 1 1
230 1 2 1 1 22 ARG QG . 22 . HG1 1 1
231 1 1 1 1 17 ARG HE . 17 . HE 1 1
231 1 2 1 1 17 ARG HG2 . 17 . HG1 1 1
232 1 1 1 1 8 LYS HA . 8 . HA 1 1
232 1 2 1 1 11 TYR QB . 11 . HB1 1 1
233 1 1 1 1 10 ARG H . 10 . HN 1 1
233 1 2 1 1 10 ARG HG2 . 10 . HG2 1 1
234 1 1 1 1 24 GLU HA . 24 . HA 1 1
234 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
235 1 1 1 1 20 DPR HB3 . 20 . HB2 1 1
235 1 2 1 1 20 DPR HD3 . 20 . HD2 1 1
236 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
236 1 2 1 1 25 MVA HA . 25 . HA 1 1
237 1 1 1 1 12 ABA H . 12 . HN 1 1
237 1 2 1 1 13 GLY H . 13 . HN 1 1
238 1 1 1 1 23 TYR QD . 23 . HD1 1 1
238 1 2 1 1 24 GLU H . 24 . HN 1 1
239 1 1 1 1 8 LYS HA . 8 . HA 1 1
239 1 2 1 1 11 TYR QD . 11 . HD1 1 1
240 1 1 1 1 7 LEU QD . 7 . HD11 1 1
240 1 2 1 1 23 TYR QB . 23 . HB2 1 1
241 1 1 1 1 8 LYS HA . 8 . HA 1 1
241 1 2 1 1 11 TYR H . 11 . HN 1 1
242 1 1 1 1 7 LEU QD . 7 . HD21 1 1
242 1 2 1 1 23 TYR QE . 23 . HE1 1 1
243 1 1 1 1 17 ARG H . 17 . HN 1 1
243 1 2 1 1 17 ARG HG3 . 17 . HG2 1 1
244 1 1 1 1 14 CYS QB . 14 . HB1 1 1
244 1 2 1 1 26 HIS H . 26 . HN 1 1
245 1 1 1 1 4 CYS HA . 4 . HA 1 1
245 1 2 1 1 18 CYS HB2 . 18 . HB1 1 1
246 1 1 1 1 15 GLU H . 15 . HN 1 1
246 1 2 1 1 15 GLU HG2 . 15 . HG1 1 1
247 1 1 1 1 7 LEU H . 7 . HN 1 1
247 1 2 1 1 7 LEU QD . 7 . HD21 1 1
248 1 1 1 1 20 DPR HB3 . 20 . HB2 1 1
248 1 2 1 1 21 PRO HD2 . 21 . HD2 1 1
249 1 1 1 1 17 ARG H . 17 . HN 1 1
249 1 2 1 1 17 ARG HG2 . 17 . HG1 1 1
250 1 1 1 1 11 TYR QB . 11 . HB2 1 1
250 1 2 1 1 14 CYS H . 14 . HN 1 1
251 1 1 1 1 8 LYS QB . 8 . HB1 1 1
251 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
252 1 1 1 1 2 ASP H . 2 . HN 1 1
252 1 2 1 1 3 ABA H . 3 . HN 1 1
253 1 1 1 1 18 CYS HA . 18 . HA 1 1
253 1 2 1 1 23 TYR QD . 23 . HD1 1 1
254 1 1 1 1 15 GLU H . 15 . HN 1 1
254 1 2 1 1 26 HIS HB2 . 26 . HB1 1 1
255 1 1 1 1 11 TYR QE . 11 . HE1 1 1
255 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
256 1 1 1 1 10 ARG HG2 . 10 . HG2 1 1
256 1 2 1 1 11 TYR QD . 11 . HD1 1 1
257 1 1 1 1 20 DPR HA . 20 . HA 1 1
257 1 2 1 1 20 DPR HD3 . 20 . HD2 1 1
258 1 1 1 1 7 LEU HA . 7 . HA 1 1
258 1 2 1 1 11 TYR QD . 11 . HD1 1 1
259 1 1 1 1 26 HIS HB3 . 26 . HB2 1 1
259 1 2 1 1 27 CYS H . 27 . HN 1 1
260 1 1 1 1 21 PRO HB3 . 21 . HB2 1 1
260 1 2 1 1 21 PRO HD2 . 21 . HD2 1 1
261 1 1 1 1 16 MVA HA . 16 . HA 1 1
261 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
262 1 1 1 1 11 TYR QD . 11 . HD1 1 1
262 1 2 1 1 14 CYS QB . 14 . HB2 1 1
263 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
263 1 2 1 1 18 CYS HB3 . 18 . HB2 1 1
264 1 1 1 1 1 ASN QB . 1 . HB1 1 1
264 1 2 1 1 1 ASN HD22 . 1 . HD22 1 1
265 1 1 1 1 5 LYS HA . 5 . HA 1 1
265 1 2 1 1 7 LEU H . 7 . HN 1 1
266 1 1 1 1 8 LYS HA . 8 . HA 1 1
266 1 2 1 1 16 MVA HB . 16 . HB 1 1
267 1 1 1 1 26 HIS HB2 . 26 . HB1 1 1
267 1 2 1 1 27 CYS H . 27 . HN 1 1
268 1 1 1 1 10 ARG QD . 10 . HD1 1 1
268 1 2 1 1 10 ARG HE . 10 . HE 1 1
269 1 1 1 1 8 LYS HA . 8 . HA 1 1
269 1 2 1 1 10 ARG H . 10 . HN 1 1
270 1 1 1 1 15 GLU HA . 15 . HA 1 1
270 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
271 1 1 1 1 2 ASP HB2 . 2 . HB1 1 1
271 1 2 1 1 3 ABA H . 3 . HN 1 1
272 1 1 1 1 21 PRO HD3 . 21 . HD1 1 1
272 1 2 1 1 22 ARG H . 22 . HN 1 1
273 1 1 1 1 7 LEU QD . 7 . HD11 1 1
273 1 2 1 1 11 TYR QD . 11 . HD1 1 1
274 1 1 1 1 17 ARG HG3 . 17 . HG2 1 1
274 1 2 1 1 18 CYS H . 18 . HN 1 1
275 1 1 1 1 8 LYS QB . 8 . HB1 1 1
275 1 2 1 1 11 TYR QD . 11 . HD1 1 1
276 1 1 1 1 19 ASP HB3 . 19 . HB2 1 1
276 1 2 1 1 22 ARG H . 22 . HN 1 1
277 1 1 1 1 4 CYS HA . 4 . HA 1 1
277 1 2 1 1 7 LEU H . 7 . HN 1 1
278 1 1 1 1 10 ARG HE . 10 . HE 1 1
278 1 2 1 1 10 ARG HG3 . 10 . HG1 1 1
279 1 1 1 1 10 ARG HB2 . 10 . HB2 1 1
279 1 2 1 1 10 ARG HE . 10 . HE 1 1
280 1 1 1 1 16 MVA HG11 . 16 . HG11 1 1
280 1 2 1 1 23 TYR QB . 23 . HB1 1 1
281 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
281 1 2 1 1 23 TYR HA . 23 . HA 1 1
282 1 1 1 1 25 MVA HG11 . 25 . HG11 1 1
282 1 2 1 1 26 HIS H . 26 . HN 1 1
283 1 1 1 1 7 LEU HA . 7 . HA 1 1
283 1 2 1 1 11 TYR QE . 11 . HE1 1 1
284 1 1 1 1 5 LYS HA . 5 . HA 1 1
284 1 2 1 1 5 LYS HG3 . 5 . HG2 1 1
285 1 1 1 1 1 ASN HA . 1 . HA 1 1
285 1 2 1 1 5 LYS QE . 5 . HE1 1 1
286 1 1 1 1 17 ARG HE . 17 . HE 1 1
286 1 2 1 1 17 ARG HG3 . 17 . HG2 1 1
287 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
287 1 2 1 1 18 CYS HA . 18 . HA 1 1
288 1 1 1 1 16 MVA HA . 16 . HA 1 1
288 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
289 1 1 1 1 14 CYS QB . 14 . HB1 1 1
289 1 2 1 1 27 CYS H . 27 . HN 1 1
290 1 1 1 1 24 GLU HB2 . 24 . HB1 1 1
290 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
291 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
291 1 2 1 1 18 CYS H . 18 . HN 1 1
292 1 1 1 1 16 MVA HG11 . 16 . HG11 1 1
292 1 2 1 1 17 ARG H . 17 . HN 1 1
293 1 1 1 1 23 TYR QB . 23 . HB1 1 1
293 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
294 1 1 1 1 17 ARG H . 17 . HN 1 1
294 1 2 1 1 24 GLU HA . 24 . HA 1 1
295 1 1 1 1 14 CYS H . 14 . HN 1 1
295 1 2 1 1 15 GLU H . 15 . HN 1 1
296 1 1 1 1 21 PRO HA . 21 . HA 1 1
296 1 2 1 1 21 PRO HD3 . 21 . HD1 1 1
297 1 1 1 1 22 ARG HA . 22 . HA 1 1
297 1 2 1 1 23 TYR QE . 23 . HE1 1 1
298 1 1 1 1 2 ASP HA . 2 . HA 1 1
298 1 2 1 1 4 CYS H . 4 . HN 1 1
299 1 1 1 1 23 TYR H . 23 . HN 1 1
299 1 2 1 1 23 TYR QE . 23 . HE1 1 1
300 1 1 1 1 23 TYR HA . 23 . HA 1 1
300 1 2 1 1 24 GLU QG . 24 . HG1 1 1
301 1 1 1 1 11 TYR H . 11 . HN 1 1
301 1 2 1 1 14 CYS H . 14 . HN 1 1
302 1 1 1 1 25 MVA HG21 . 25 . HG21 1 1
302 1 2 1 1 27 CYS H . 27 . HN 1 1
303 1 1 1 1 24 GLU H . 24 . HN 1 1
303 1 2 1 1 25 MVA HG11 . 25 . HG11 1 1
304 1 1 1 1 10 ARG HB3 . 10 . HB1 1 1
304 1 2 1 1 10 ARG HE . 10 . HE 1 1
305 1 1 1 1 8 LYS HA . 8 . HA 1 1
305 1 2 1 1 16 MVA HG21 . 16 . HG21 1 1
306 1 1 1 1 4 CYS HA . 4 . HA 1 1
306 1 2 1 1 16 MVA HG21 . 16 . HG21 1 1
307 1 1 1 1 11 TYR QB . 11 . HB1 1 1
307 1 2 1 1 16 MVA HG21 . 16 . HG21 1 1
308 1 1 1 1 16 MVA HG11 . 16 . HG11 1 1
308 1 2 1 1 23 TYR QD . 23 . HD1 1 1
309 1 1 1 1 20 DPR HA . 20 . HA 1 1
309 1 2 1 1 20 DPR HD2 . 20 . HD1 1 1
310 1 1 1 1 24 GLU HB3 . 24 . HB2 1 1
310 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
311 1 1 1 1 18 CYS HB3 . 18 . HB2 1 1
311 1 2 1 1 23 TYR QD . 23 . HD1 1 1
312 1 1 1 1 10 ARG HE . 10 . HE 1 1
312 1 2 1 1 10 ARG HG2 . 10 . HG2 1 1
313 1 1 1 1 16 MVA HG21 . 16 . HG21 1 1
313 1 2 1 1 24 GLU QG . 24 . HG1 1 1
314 1 1 1 1 15 GLU H . 15 . HN 1 1
314 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
315 1 1 1 1 17 ARG H . 17 . HN 1 1
315 1 2 1 1 23 TYR HA . 23 . HA 1 1
316 1 1 1 1 17 ARG HG2 . 17 . HG1 1 1
316 1 2 1 1 18 CYS H . 18 . HN 1 1
317 1 1 1 1 14 CYS H . 14 . HN 1 1
317 1 2 1 1 25 MVA HG21 . 25 . HG21 1 1
318 1 1 1 1 26 HIS HA . 26 . HA 1 1
318 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
319 1 1 1 1 17 ARG QD . 17 . HD1 1 1
319 1 2 1 1 17 ARG HE . 17 . HE 1 1
320 1 1 1 1 16 MVA HA . 16 . HA 1 1
320 1 2 1 1 23 TYR QD . 23 . HD1 1 1
321 1 1 1 1 2 ASP HA . 2 . HA 1 1
321 1 2 1 1 5 LYS H . 5 . HN 1 1
322 1 1 1 1 26 HIS H . 26 . HN 1 1
322 1 2 1 1 27 CYS H . 27 . HN 1 1
323 1 1 1 1 15 GLU H . 15 . HN 1 1
323 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
324 1 1 1 1 15 GLU QB . 15 . HB1 1 1
324 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
325 1 1 1 1 16 MVA HA . 16 . HA 1 1
325 1 2 1 1 24 GLU H . 24 . HN 1 1
326 1 1 1 1 15 GLU HA . 15 . HA 1 1
326 1 2 1 1 16 MVA HB . 16 . HB 1 1
327 1 1 1 1 11 TYR QB . 11 . HB1 1 1
327 1 2 1 1 12 ABA H . 12 . HN 1 1
328 1 1 1 1 11 TYR HA . 11 . HA 1 1
328 1 2 1 1 11 TYR QE . 11 . HE1 1 1
329 1 1 1 1 23 TYR H . 23 . HN 1 1
329 1 2 1 1 24 GLU H . 24 . HN 1 1
330 1 1 1 1 2 ASP HB3 . 2 . HB2 1 1
330 1 2 1 1 5 LYS H . 5 . HN 1 1
331 1 1 1 1 17 ARG H . 17 . HN 1 1
331 1 2 1 1 24 GLU HB3 . 24 . HB2 1 1
332 1 1 1 1 7 LEU QD . 7 . HD21 1 1
332 1 2 1 1 8 LYS H . 8 . HN 1 1
333 1 1 1 1 10 ARG H . 10 . HN 1 1
333 1 2 1 1 11 TYR QD . 11 . HD1 1 1
334 1 1 1 1 8 LYS QB . 8 . HB1 1 1
334 1 2 1 1 10 ARG H . 10 . HN 1 1
335 1 1 1 1 4 CYS HA . 4 . HA 1 1
335 1 2 1 1 6 ABA H . 6 . HN 1 1
336 1 1 1 1 22 ARG H . 22 . HN 1 1
336 1 2 1 1 23 TYR H . 23 . HN 1 1
337 1 1 1 1 2 ASP HB3 . 2 . HB2 1 1
337 1 2 1 1 3 ABA H . 3 . HN 1 1
338 1 1 1 1 11 TYR QD . 11 . HD1 1 1
338 1 2 1 1 12 ABA H . 12 . HN 1 1
339 1 1 1 1 8 LYS H . 8 . HN 1 1
339 1 2 1 1 16 MVA HG11 . 16 . HG11 1 1
340 1 1 1 1 8 LYS H . 8 . HN 1 1
340 1 2 1 1 11 TYR QD . 11 . HD1 1 1
341 1 1 1 1 7 LEU H . 7 . HN 1 1
341 1 2 1 1 16 MVA HG21 . 16 . HG21 1 1
342 1 1 1 1 23 TYR QD . 23 . HD1 1 1
342 1 2 1 1 25 MVA HA . 25 . HA 1 1
343 1 1 1 1 11 TYR QE . 11 . HE1 1 1
343 1 2 1 1 16 MVA HG21 . 16 . HG21 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 1.852 1.423 2.281 1 1
2 1 . . . . . 1.868 1.432 2.304 1 1
3 1 . . . . . 1.972 1.486 2.458 1 1
4 1 . . . . . 2.021 1.51 2.532 1 1
5 1 . . . . . 2.04 1.844 2.56 1 1
6 1 . . . . . 2.04 1.52 2.56 1 1
7 1 . . . . . 2.048 1.524 2.572 1 1
8 1 . . . . . 2.078 1.538 2.618 1 1
9 1 . . . . . 2.079 1.539 2.619 1 1
10 1 . . . . . 2.08 1.539 2.621 1 1
11 1 . . . . . 2.132 1.564 2.7 1 1
12 1 . . . . . 2.142 1.568 2.716 1 1
13 1 . . . . . 2.161 1.577 2.745 1 1
14 1 . . . . . 2.17 1.581 2.759 1 1
15 1 . . . . . 2.195 1.593 2.797 1 1
16 1 . . . . . 2.201 1.596 2.806 1 1
17 1 . . . . . 2.202 1.596 2.808 1 1
18 1 . . . . . 2.232 1.609 2.855 1 1
19 1 . . . . . 2.237 1.611 2.863 1 1
20 1 . . . . . 2.26 1.664 2.899 1 1
21 1 . . . . . 2.268 1.625 2.911 1 1
22 1 . . . . . 2.268 1.625 2.911 1 1
23 1 . . . . . 2.27 1.626 2.914 1 1
24 1 . . . . . 2.272 1.627 2.917 1 1
25 1 . . . . . 2.277 1.629 2.925 1 1
26 1 . . . . . 2.297 1.637 2.957 1 1
27 1 . . . . . 2.301 1.639 2.963 1 1
28 1 . . . . . 2.304 1.64 2.968 1 1
29 1 . . . . . 2.308 1.642 2.974 1 1
30 1 . . . . . 2.328 1.655 3.005 1 1
31 1 . . . . . 2.335 1.653 3.017 1 1
32 1 . . . . . 2.34 1.845 3.024 1 1
33 1 . . . . . 2.341 1.656 3.026 1 1
34 1 . . . . . 2.343 1.657 3.029 1 1
35 1 . . . . . 2.35 1.659 3.041 1 1
36 1 . . . . . 2.353 1.661 3.045 1 1
37 1 . . . . . 2.367 1.666 3.068 1 1
38 1 . . . . . 2.376 1.765 3.082 1 1
39 1 . . . . . 2.385 1.677 3.096 1 1
40 1 . . . . . 2.39 1.676 3.104 1 1
41 1 . . . . . 2.392 1.73 3.107 1 1
42 1 . . . . . 2.392 1.677 3.107 1 1
43 1 . . . . . 2.394 1.677 3.111 1 1
44 1 . . . . . 2.397 1.745 3.115 1 1
45 1 . . . . . 2.405 1.682 3.128 1 1
46 1 . . . . . 2.412 1.685 3.139 1 1
47 1 . . . . . 2.418 1.687 3.149 1 1
48 1 . . . . . 2.418 1.687 3.149 1 1
49 1 . . . . . 2.424 1.69 3.158 1 1
50 1 . . . . . 2.427 1.691 3.163 1 1
51 1 . . . . . 2.427 1.691 3.163 1 1
52 1 . . . . . 2.431 1.692 3.17 1 1
53 1 . . . . . 2.437 1.695 3.179 1 1
54 1 . . . . . 2.44 1.696 3.184 1 1
55 1 . . . . . 2.443 1.697 3.189 1 1
56 1 . . . . . 2.446 1.698 3.194 1 1
57 1 . . . . . 2.446 1.698 3.194 1 1
58 1 . . . . . 2.451 1.7 3.202 1 1
59 1 . . . . . 2.462 1.806 3.22 1 1
60 1 . . . . . 2.462 1.704 3.22 1 1
61 1 . . . . . 2.464 1.788 3.223 1 1
62 1 . . . . . 2.464 1.705 3.223 1 1
63 1 . . . . . 2.467 1.706 3.228 1 1
64 1 . . . . . 2.472 1.708 3.236 1 1
65 1 . . . . . 2.472 1.923 3.236 1 1
66 1 . . . . . 2.475 1.709 3.241 1 1
67 1 . . . . . 2.477 1.71 3.244 1 1
68 1 . . . . . 2.477 1.71 3.244 1 1
69 1 . . . . . 2.484 1.713 3.255 1 1
70 1 . . . . . 2.489 1.871 3.264 1 1
71 1 . . . . . 2.493 1.716 3.27 1 1
72 1 . . . . . 2.496 1.717 3.275 1 1
73 1 . . . . . 2.502 1.72 3.284 1 1
74 1 . . . . . 2.502 1.72 3.284 1 1
75 1 . . . . . 2.502 1.72 3.284 1 1
76 1 . . . . . 2.507 1.721 3.293 1 1
77 1 . . . . . 2.507 1.721 3.293 1 1
78 1 . . . . . 2.509 1.722 3.296 1 1
79 1 . . . . . 2.534 1.731 3.337 1 1
80 1 . . . . . 2.536 1.732 3.34 1 1
81 1 . . . . . 2.538 1.733 3.343 1 1
82 1 . . . . . 2.546 1.736 3.356 1 1
83 1 . . . . . 2.55 1.861 3.363 1 1
84 1 . . . . . 2.563 1.836 3.384 1 1
85 1 . . . . . 2.565 1.742 3.388 1 1
86 1 . . . . . 2.565 1.742 3.388 1 1
87 1 . . . . . 2.576 1.746 3.406 1 1
88 1 . . . . . 2.579 1.748 3.41 1 1
89 1 . . . . . 2.581 1.915 3.414 1 1
90 1 . . . . . 2.585 1.749 3.421 1 1
91 1 . . . . . 2.585 1.749 3.421 1 1
92 1 . . . . . 2.595 1.753 3.437 1 1
93 1 . . . . . 2.599 1.754 3.444 1 1
94 1 . . . . . 2.607 1.758 3.456 1 1
95 1 . . . . . 2.619 1.762 3.476 1 1
96 1 . . . . . 2.619 1.762 3.476 1 1
97 1 . . . . . 2.621 1.762 3.48 1 1
98 1 . . . . . 2.629 1.765 3.493 1 1
99 1 . . . . . 2.632 1.905 3.498 1 1
100 1 . . . . . 2.637 1.768 3.506 1 1
101 1 . . . . . 2.642 1.769 3.515 1 1
102 1 . . . . . 2.642 1.769 3.515 1 1
103 1 . . . . . 2.645 1.771 3.519 1 1
104 1 . . . . . 2.645 1.771 3.519 1 1
105 1 . . . . . 2.65 1.772 3.528 1 1
106 1 . . . . . 2.65 1.772 3.528 1 1
107 1 . . . . . 2.65 1.772 3.528 1 1
108 1 . . . . . 2.653 1.773 3.533 1 1
109 1 . . . . . 2.664 1.824 3.551 1 1
110 1 . . . . . 2.664 1.777 3.551 1 1
111 1 . . . . . 2.667 1.778 3.556 1 1
112 1 . . . . . 2.67 1.779 3.561 1 1
113 1 . . . . . 2.676 1.781 3.571 1 1
114 1 . . . . . 2.676 1.781 3.571 1 1
115 1 . . . . . 2.676 1.781 3.571 1 1
116 1 . . . . . 2.685 1.784 3.586 1 1
117 1 . . . . . 2.688 1.855 3.591 1 1
118 1 . . . . . 2.688 1.785 3.591 1 1
119 1 . . . . . 2.694 1.787 3.601 1 1
120 1 . . . . . 2.7 1.789 3.611 1 1
121 1 . . . . . 2.7 1.789 3.611 1 1
122 1 . . . . . 2.706 1.791 3.621 1 1
123 1 . . . . . 2.719 1.795 3.643 1 1
124 1 . . . . . 2.722 1.796 3.648 1 1
125 1 . . . . . 2.722 1.796 3.648 1 1
126 1 . . . . . 2.725 1.797 3.653 1 1
127 1 . . . . . 2.729 1.798 3.66 1 1
128 1 . . . . . 2.732 1.799 3.665 1 1
129 1 . . . . . 2.735 1.8 3.67 1 1
130 1 . . . . . 2.735 1.8 3.67 1 1
131 1 . . . . . 2.739 1.801 3.677 1 1
132 1 . . . . . 2.742 1.802 3.682 1 1
133 1 . . . . . 2.742 1.802 3.682 1 1
134 1 . . . . . 2.746 1.804 3.688 1 1
135 1 . . . . . 2.749 1.804 3.694 1 1
136 1 . . . . . 2.749 1.804 3.694 1 1
137 1 . . . . . 2.753 1.806 3.7 1 1
138 1 . . . . . 2.76 1.808 3.712 1 1
139 1 . . . . . 2.764 1.809 3.719 1 1
140 1 . . . . . 2.767 1.81 3.724 1 1
141 1 . . . . . 2.767 1.81 3.724 1 1
142 1 . . . . . 2.775 1.813 3.737 1 1
143 1 . . . . . 2.775 1.813 3.737 1 1
144 1 . . . . . 2.782 1.814 3.75 1 1
145 1 . . . . . 2.786 1.816 3.756 1 1
146 1 . . . . . 2.802 1.821 3.783 1 1
147 1 . . . . . 2.802 1.821 3.783 1 1
148 1 . . . . . 2.818 1.825 3.811 1 1
149 1 . . . . . 2.818 1.825 3.811 1 1
150 1 . . . . . 2.827 1.828 3.826 1 1
151 1 . . . . . 2.827 1.828 3.826 1 1
152 1 . . . . . 2.836 1.831 3.841 1 1
153 1 . . . . . 2.836 1.831 3.841 1 1
154 1 . . . . . 2.836 1.831 3.841 1 1
155 1 . . . . . 2.836 1.831 3.841 1 1
156 1 . . . . . 2.844 1.833 3.855 1 1
157 1 . . . . . 2.844 1.833 3.855 1 1
158 1 . . . . . 2.844 1.833 3.855 1 1
159 1 . . . . . 2.844 1.833 3.855 1 1
160 1 . . . . . 2.849 1.834 3.864 1 1
161 1 . . . . . 2.858 1.837 3.879 1 1
162 1 . . . . . 2.863 1.839 3.887 1 1
163 1 . . . . . 2.863 1.839 3.887 1 1
164 1 . . . . . 2.872 1.841 3.903 1 1
165 1 . . . . . 2.874 1.842 3.906 1 1
166 1 . . . . . 2.874 1.867 3.906 1 1
167 1 . . . . . 2.878 1.873 3.914 1 1
168 1 . . . . . 2.882 1.843 3.921 1 1
169 1 . . . . . 2.884 1.844 3.924 1 1
170 1 . . . . . 2.884 1.844 3.924 1 1
171 1 . . . . . 2.884 1.844 3.924 1 1
172 1 . . . . . 2.889 1.846 3.932 1 1
173 1 . . . . . 2.898 1.848 3.948 1 1
174 1 . . . . . 2.908 1.851 3.965 1 1
175 1 . . . . . 2.92 1.854 3.986 1 1
176 1 . . . . . 2.925 1.855 3.995 1 1
177 1 . . . . . 2.93 1.857 4.003 1 1
178 1 . . . . . 2.932 1.858 4.006 1 1
179 1 . . . . . 2.936 1.858 4.014 1 1
180 1 . . . . . 2.941 1.86 4.022 1 1
181 1 . . . . . 2.942 1.86 4.024 1 1
182 1 . . . . . 2.942 1.86 4.024 1 1
183 1 . . . . . 2.948 1.867 4.034 1 1
184 1 . . . . . 2.956 1.864 4.048 1 1
185 1 . . . . . 2.959 1.864 4.054 1 1
186 1 . . . . . 2.959 1.864 4.054 1 1
187 1 . . . . . 2.962 1.865 4.059 1 1
188 1 . . . . . 2.972 1.868 4.076 1 1
189 1 . . . . . 2.973 1.868 4.078 1 1
190 1 . . . . . 2.974 1.868 4.08 1 1
191 1 . . . . . 2.98 1.87 4.09 1 1
192 1 . . . . . 2.995 1.874 4.116 1 1
193 1 . . . . . 2.996 1.966 4.118 1 1
194 1 . . . . . 2.996 1.874 4.118 1 1
195 1 . . . . . 2.998 1.875 4.121 1 1
196 1 . . . . . 3.018 1.879 4.157 1 1
197 1 . . . . . 3.019 1.879 4.159 1 1
198 1 . . . . . 3.03 1.883 4.177 1 1
199 1 . . . . . 3.041 1.885 4.197 1 1
200 1 . . . . . 3.045 1.886 4.204 1 1
201 1 . . . . . 3.05 1.888 4.212 1 1
202 1 . . . . . 3.063 1.89 4.236 1 1
203 1 . . . . . 3.067 1.891 4.243 1 1
204 1 . . . . . 3.067 1.891 4.243 1 1
205 1 . . . . . 3.069 1.892 4.246 1 1
206 1 . . . . . 3.07 1.892 4.248 1 1
207 1 . . . . . 3.074 1.893 4.255 1 1
208 1 . . . . . 3.081 1.894 4.268 1 1
209 1 . . . . . 3.094 1.897 4.291 1 1
210 1 . . . . . 3.105 1.9 4.31 1 1
211 1 . . . . . 3.109 1.901 4.317 1 1
212 1 . . . . . 3.112 1.901 4.323 1 1
213 1 . . . . . 3.116 1.902 4.33 1 1
214 1 . . . . . 3.122 1.903 4.341 1 1
215 1 . . . . . 3.127 1.904 4.35 1 1
216 1 . . . . . 3.134 1.907 4.361 1 1
217 1 . . . . . 3.135 1.906 4.364 1 1
218 1 . . . . . 3.143 1.908 4.378 1 1
219 1 . . . . . 3.144 1.908 4.38 1 1
220 1 . . . . . 3.15 1.91 4.39 1 1
221 1 . . . . . 3.151 1.91 4.392 1 1
222 1 . . . . . 3.166 1.913 4.419 1 1
223 1 . . . . . 3.168 1.913 4.423 1 1
224 1 . . . . . 3.174 1.915 4.433 1 1
225 1 . . . . . 3.178 1.916 4.44 1 1
226 1 . . . . . 3.179 1.916 4.442 1 1
227 1 . . . . . 3.181 1.916 4.446 1 1
228 1 . . . . . 3.184 1.917 4.451 1 1
229 1 . . . . . 3.191 1.937 4.464 1 1
230 1 . . . . . 3.193 1.919 4.467 1 1
231 1 . . . . . 3.202 1.92 4.484 1 1
232 1 . . . . . 3.205 1.921 4.489 1 1
233 1 . . . . . 3.211 1.922 4.5 1 1
234 1 . . . . . 3.214 1.922 4.506 1 1
235 1 . . . . . 3.219 1.924 4.514 1 1
236 1 . . . . . 3.22 1.924 4.516 1 1
237 1 . . . . . 3.221 1.924 4.518 1 1
238 1 . . . . . 3.223 1.925 4.521 1 1
239 1 . . . . . 3.232 1.927 4.537 1 1
240 1 . . . . . 3.238 1.999 4.549 1 1
241 1 . . . . . 3.248 1.929 4.567 1 1
242 1 . . . . . 3.249 1.979 4.569 1 1
243 1 . . . . . 3.257 1.931 4.583 1 1
244 1 . . . . . 3.257 1.931 4.583 1 1
245 1 . . . . . 3.26 1.932 4.588 1 1
246 1 . . . . . 3.26 1.932 4.588 1 1
247 1 . . . . . 3.264 1.949 4.596 1 1
248 1 . . . . . 3.269 1.933 4.605 1 1
249 1 . . . . . 3.269 1.933 4.605 1 1
250 1 . . . . . 3.276 1.934 4.618 1 1
251 1 . . . . . 3.28 1.935 4.625 1 1
252 1 . . . . . 3.286 1.936 4.636 1 1
253 1 . . . . . 3.288 1.936 4.64 1 1
254 1 . . . . . 3.293 1.937 4.649 1 1
255 1 . . . . . 3.296 1.938 4.654 1 1
256 1 . . . . . 3.297 1.938 4.656 1 1
257 1 . . . . . 3.298 1.938 4.658 1 1
258 1 . . . . . 3.301 1.939 4.663 1 1
259 1 . . . . . 3.301 1.939 4.663 1 1
260 1 . . . . . 3.305 1.94 4.67 1 1
261 1 . . . . . 3.319 1.942 4.696 1 1
262 1 . . . . . 3.32 1.942 4.698 1 1
263 1 . . . . . 3.32 1.942 4.698 1 1
264 1 . . . . . 3.326 1.944 4.708 1 1
265 1 . . . . . 3.328 1.943 4.713 1 1
266 1 . . . . . 3.348 1.947 4.749 1 1
267 1 . . . . . 3.348 1.947 4.749 1 1
268 1 . . . . . 3.349 1.947 4.751 1 1
269 1 . . . . . 3.369 1.95 4.788 1 1
270 1 . . . . . 3.37 1.95 4.79 1 1
271 1 . . . . . 3.378 1.952 4.804 1 1
272 1 . . . . . 3.379 1.952 4.806 1 1
273 1 . . . . . 3.382 1.952 4.812 1 1
274 1 . . . . . 3.39 1.954 4.826 1 1
275 1 . . . . . 3.391 1.953 4.829 1 1
276 1 . . . . . 3.398 1.955 4.841 1 1
277 1 . . . . . 3.404 1.956 4.852 1 1
278 1 . . . . . 3.407 1.956 4.858 1 1
279 1 . . . . . 3.407 1.956 4.858 1 1
280 1 . . . . . 3.415 1.957 4.873 1 1
281 1 . . . . . 3.417 1.958 4.876 1 1
282 1 . . . . . 3.423 1.958 4.888 1 1
283 1 . . . . . 3.428 1.959 4.897 1 1
284 1 . . . . . 3.431 1.959 4.903 1 1
285 1 . . . . . 3.431 1.959 4.903 1 1
286 1 . . . . . 3.441 1.961 4.921 1 1
287 1 . . . . . 3.443 1.961 4.925 1 1
288 1 . . . . . 3.446 1.961 4.931 1 1
289 1 . . . . . 3.455 1.963 4.947 1 1
290 1 . . . . . 3.457 1.963 4.951 1 1
291 1 . . . . . 3.46 1.963 4.957 1 1
292 1 . . . . . 3.462 1.964 4.96 1 1
293 1 . . . . . 3.466 1.965 4.967 1 1
294 1 . . . . . 3.469 1.964 4.974 1 1
295 1 . . . . . 3.477 1.966 4.988 1 1
296 1 . . . . . 3.497 1.968 5.026 1 1
297 1 . . . . . 3.509 1.97 5.048 1 1
298 1 . . . . . 3.514 1.97 5.058 1 1
299 1 . . . . . 3.526 1.972 5.08 1 1
300 1 . . . . . 3.555 1.975 5.135 1 1
301 1 . . . . . 3.564 1.976 5.152 1 1
302 1 . . . . . 3.566 1.976 5.156 1 1
303 1 . . . . . 3.568 1.976 5.16 1 1
304 1 . . . . . 3.577 1.978 5.176 1 1
305 1 . . . . . 3.588 1.978 5.198 1 1
306 1 . . . . . 3.6 1.98 5.22 1 1
307 1 . . . . . 3.607 1.981 5.233 1 1
308 1 . . . . . 3.612 1.982 5.242 1 1
309 1 . . . . . 3.621 1.982 5.26 1 1
310 1 . . . . . 3.621 1.982 5.26 1 1
311 1 . . . . . 3.638 1.983 5.293 1 1
312 1 . . . . . 3.641 1.984 5.298 1 1
313 1 . . . . . 3.643 1.984 5.302 1 1
314 1 . . . . . 3.646 1.984 5.308 1 1
315 1 . . . . . 3.651 1.985 5.317 1 1
316 1 . . . . . 3.664 1.986 5.342 1 1
317 1 . . . . . 3.669 1.986 5.352 1 1
318 1 . . . . . 3.672 1.986 5.358 1 1
319 1 . . . . . 3.697 1.989 5.405 1 1
320 1 . . . . . 3.702 1.989 5.415 1 1
321 1 . . . . . 3.72 1.991 5.449 1 1
322 1 . . . . . 3.72 1.991 5.449 1 1
323 1 . . . . . 3.731 1.991 5.471 1 1
324 1 . . . . . 3.731 1.991 5.471 1 1
325 1 . . . . . 3.734 1.991 5.477 1 1
326 1 . . . . . 3.753 1.993 5.513 1 1
327 1 . . . . . 3.759 1.997 5.525 1 1
328 1 . . . . . 3.762 1.993 5.531 1 1
329 1 . . . . . 3.772 1.994 5.55 1 1
330 1 . . . . . 3.785 1.994 5.576 1 1
331 1 . . . . . 3.802 1.995 5.609 1 1
332 1 . . . . . 3.815 1.995 5.635 1 1
333 1 . . . . . 3.822 1.996 5.648 1 1
334 1 . . . . . 3.83 1.997 5.663 1 1
335 1 . . . . . 3.83 1.997 5.663 1 1
336 1 . . . . . 3.863 1.998 5.728 1 1
337 1 . . . . . 3.878 1.998 5.758 1 1
338 1 . . . . . 3.906 1.999 5.813 1 1
339 1 . . . . . 3.932 2.0 5.864 1 1
340 1 . . . . . 3.972 2.0 5.944 1 1
341 1 . . . . . 3.995 2.0 5.99 1 1
342 1 . . . . . 4.03 2.0 6.06 1 1
343 1 . . . . . 4.107 1.999 6.215 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 2 . OR 1 2
1 2 . 3 . 1 2
1 3 . . . 1 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 2 . OR 1 2
5 2 . 3 . 1 2
5 3 . . . 1 2
6 1 2 . OR 1 2
6 2 . 3 . 1 2
6 3 . . . 1 2
7 1 . . . 1 2
8 1 2 . OR 1 2
8 2 . 3 . 1 2
8 3 . . . 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 2 . OR 1 2
15 2 . 3 . 1 2
15 3 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
19 1 . . . 1 2
20 1 . . . 1 2
21 1 . . . 1 2
22 1 . . . 1 2
23 1 . . . 1 2
24 1 . . . 1 2
25 1 . . . 1 2
26 1 . . . 1 2
27 1 . . . 1 2
28 1 . . . 1 2
29 1 . . . 1 2
30 1 . . . 1 2
31 1 . . . 1 2
32 1 . . . 1 2
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 7 LEU HA . 7 . HA 1 2
1 2 2 1 1 7 LEU QB . 7 . HB2 1 2
1 3 1 1 1 10 ARG HA . 10 . HA 1 2
1 3 2 1 1 10 ARG HB2 . 10 . HB2 1 2
2 1 1 1 1 5 LYS HA . 5 . HA 1 2
2 1 2 1 1 5 LYS QB . 5 . HB1 1 2
2 1 2 1 1 8 LYS QB . 8 . HB1 1 2
3 1 1 1 1 7 LEU HA . 7 . HA 1 2
3 1 1 1 1 10 ARG HA . 10 . HA 1 2
3 1 2 1 1 10 ARG HB3 . 10 . HB1 1 2
4 1 1 1 1 7 LEU HA . 7 . HA 1 2
4 1 1 1 1 10 ARG HA . 10 . HA 1 2
4 1 2 1 1 10 ARG H . 10 . HN 1 2
5 2 1 1 1 14 CYS QB . 14 . HB2 1 2
5 2 2 1 1 15 GLU H . 15 . HN 1 2
5 3 1 1 1 18 CYS HB3 . 18 . HB2 1 2
5 3 2 1 1 19 ASP H . 19 . HN 1 2
6 2 1 1 1 15 GLU H . 15 . HN 1 2
6 2 2 1 1 15 GLU HG3 . 15 . HG2 1 2
6 3 1 1 1 19 ASP H . 19 . HN 1 2
6 3 2 1 1 19 ASP HB2 . 19 . HB1 1 2
7 1 1 1 1 5 LYS H . 5 . HN 1 2
7 1 1 1 1 11 TYR H . 11 . HN 1 2
7 1 2 1 1 8 LYS H . 8 . HN 1 2
8 2 1 1 1 5 LYS H . 5 . HN 1 2
8 2 2 1 1 5 LYS HG3 . 5 . HG2 1 2
8 3 1 1 1 10 ARG HB3 . 10 . HB1 1 2
8 3 2 1 1 11 TYR H . 11 . HN 1 2
9 1 1 1 1 11 TYR QB . 11 . HB1 1 2
9 1 1 1 1 14 CYS QB . 14 . HB1 1 2
9 1 2 1 1 14 CYS H . 14 . HN 1 2
10 1 1 1 1 7 LEU HA . 7 . HA 1 2
10 1 1 1 1 10 ARG HA . 10 . HA 1 2
10 1 2 1 1 11 TYR H . 11 . HN 1 2
11 1 1 1 1 7 LEU QB . 7 . HB2 1 2
11 1 1 1 1 8 LYS QD . 8 . HD1 1 2
11 1 2 1 1 8 LYS HA . 8 . HA 1 2
12 1 1 1 1 7 LEU QB . 7 . HB1 1 2
12 1 1 1 1 8 LYS HG2 . 8 . HG1 1 2
12 1 2 1 1 8 LYS H . 8 . HN 1 2
13 1 1 1 1 7 LEU QB . 7 . HB2 1 2
13 1 1 1 1 10 ARG HB2 . 10 . HB2 1 2
13 1 2 1 1 11 TYR QD . 11 . HD1 1 2
14 1 1 1 1 5 LYS HA . 5 . HA 1 2
14 1 2 1 1 5 LYS QD . 5 . HD1 1 2
14 1 2 1 1 8 LYS QD . 8 . HD1 1 2
15 2 1 1 1 17 ARG HB3 . 17 . HB2 1 2
15 2 2 1 1 17 ARG HE . 17 . HE 1 2
15 3 1 1 1 22 ARG QB . 22 . HB1 1 2
15 3 2 1 1 22 ARG HE . 22 . HE 1 2
16 1 1 1 1 7 LEU QD . 7 . HD21 1 2
16 1 1 1 1 25 MVA HG21 . 25 . HG21 1 2
16 1 2 1 1 16 MVA HG21 . 16 . HG21 1 2
17 1 1 1 1 7 LEU QB . 7 . HB2 1 2
17 1 1 1 1 10 ARG HB2 . 10 . HB2 1 2
17 1 2 1 1 11 TYR QE . 11 . HE1 1 2
18 1 1 1 1 17 ARG HB3 . 17 . HB2 1 2
18 1 1 1 1 22 ARG QB . 22 . HB1 1 2
18 1 2 1 1 19 ASP HB2 . 19 . HB1 1 2
19 1 1 1 1 17 ARG HB3 . 17 . HB2 1 2
19 1 1 1 1 22 ARG QB . 22 . HB1 1 2
19 1 2 1 1 19 ASP H . 19 . HN 1 2
20 1 1 1 1 21 PRO HB2 . 21 . HB1 1 2
20 1 1 1 1 21 PRO HG3 . 21 . HG2 1 2
20 1 2 1 1 22 ARG H . 22 . HN 1 2
21 1 1 1 1 7 LEU QD . 7 . HD21 1 2
21 1 1 1 1 25 MVA HG21 . 25 . HG21 1 2
21 1 2 1 1 23 TYR QD . 23 . HD1 1 2
22 1 1 1 1 7 LEU QB . 7 . HB2 1 2
22 1 1 1 1 17 ARG HB2 . 17 . HB1 1 2
22 1 2 1 1 18 CYS H . 18 . HN 1 2
23 1 1 1 1 5 LYS QB . 5 . HB1 1 2
23 1 1 1 1 8 LYS QB . 8 . HB1 1 2
23 1 2 1 1 7 LEU H . 7 . HN 1 2
24 1 1 1 1 8 LYS QB . 8 . HB1 1 2
24 1 1 1 1 24 GLU HB2 . 24 . HB1 1 2
24 1 2 1 1 16 MVA HG21 . 16 . HG21 1 2
25 1 1 1 1 11 TYR QB . 11 . HB1 1 2
25 1 1 1 1 14 CYS QB . 14 . HB1 1 2
25 1 2 1 1 25 MVA HG11 . 25 . HG11 1 2
26 1 1 1 1 4 CYS QB . 4 . HB1 1 2
26 1 1 1 1 17 ARG QD . 17 . HD1 1 2
26 1 2 1 1 16 MVA HG21 . 16 . HG21 1 2
27 1 1 1 1 15 GLU HA . 15 . HA 1 2
27 1 1 1 1 18 CYS HA . 18 . HA 1 2
27 1 2 1 1 17 ARG H . 17 . HN 1 2
28 1 1 1 1 17 ARG H . 17 . HN 1 2
28 1 2 1 1 18 CYS H . 18 . HN 1 2
28 1 2 1 1 26 HIS H . 26 . HN 1 2
29 1 1 1 1 7 LEU HA . 7 . HA 1 2
29 1 1 1 1 10 ARG HA . 10 . HA 1 2
29 1 2 1 1 9 ABA H . 9 . HN 1 2
30 1 1 1 1 17 ARG HB2 . 17 . HB1 1 2
30 1 2 1 1 17 ARG HE . 17 . HE 1 2
30 1 2 1 1 26 HIS HD2 . 26 . HD2 1 2
31 1 1 1 1 7 LEU HA . 7 . HA 1 2
31 1 1 1 1 10 ARG HA . 10 . HA 1 2
31 1 2 1 1 10 ARG HE . 10 . HE 1 2
32 1 1 1 1 7 LEU QB . 7 . HB1 1 2
32 1 1 1 1 8 LYS HG2 . 8 . HG1 1 2
32 1 2 1 1 10 ARG H . 10 . HN 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 2 . . . . . 2.212 1.6 2.824 1 2
1 3 . . . . . 2.212 1.6 2.824 1 2
2 1 . . . . . 2.323 1.648 2.998 1 2
3 1 . . . . . 2.349 1.659 3.039 1 2
4 1 . . . . . 2.513 1.724 3.302 1 2
5 2 . . . . . 2.619 1.762 3.476 1 2
5 3 . . . . . 2.619 1.762 3.476 1 2
6 2 . . . . . 2.676 1.781 3.571 1 2
6 3 . . . . . 2.676 1.781 3.571 1 2
7 1 . . . . . 2.712 1.792 3.632 1 2
8 2 . . . . . 2.735 1.8 3.67 1 2
8 3 . . . . . 2.735 1.8 3.67 1 2
9 1 . . . . . 2.836 1.831 3.841 1 2
10 1 . . . . . 2.867 1.839 3.895 1 2
11 1 . . . . . 2.894 1.847 3.941 1 2
12 1 . . . . . 2.909 1.851 3.967 1 2
13 1 . . . . . 2.921 1.855 3.987 1 2
14 1 . . . . . 2.976 1.869 4.083 1 2
15 2 . . . . . 3.002 1.875 4.129 1 2
15 3 . . . . . 3.002 1.875 4.129 1 2
16 1 . . . . . 3.085 1.895 4.275 1 2
17 1 . . . . . 3.152 1.91 4.394 1 2
18 1 . . . . . 3.167 1.913 4.421 1 2
19 1 . . . . . 3.237 1.927 4.547 1 2
20 1 . . . . . 3.253 1.93 4.576 1 2
21 1 . . . . . 3.257 1.931 4.583 1 2
22 1 . . . . . 3.259 1.932 4.586 1 2
23 1 . . . . . 3.297 1.938 4.656 1 2
24 1 . . . . . 3.32 1.942 4.698 1 2
25 1 . . . . . 3.385 1.952 4.818 1 2
26 1 . . . . . 3.526 1.972 5.08 1 2
27 1 . . . . . 3.566 1.976 5.156 1 2
28 1 . . . . . 3.636 1.983 5.289 1 2
29 1 . . . . . 3.636 1.983 5.289 1 2
30 1 . . . . . 3.675 1.987 5.363 1 2
31 1 . . . . . 4.01 2.0 6.02 1 2
32 1 . . . . . 4.543 1.964 7.122 1 2
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 3
2 1 . . . 1 3
3 1 . . . 1 3
4 1 . . . 1 3
5 1 . . . 1 3
6 1 . . . 1 3
7 1 . . . 1 3
8 1 . . . 1 3
9 1 . . . 1 3
10 1 . . . 1 3
11 1 . . . 1 3
12 1 . . . 1 3
13 1 . . . 1 3
14 1 . . . 1 3
15 1 . . . 1 3
16 1 . . . 1 3
17 1 . . . 1 3
18 1 . . . 1 3
19 1 . . . 1 3
20 1 . . . 1 3
21 1 . . . 1 3
22 1 . . . 1 3
23 1 . . . 1 3
24 1 . . . 1 3
25 1 . . . 1 3
26 1 . . . 1 3
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 3
1 1 2 1 1 6 ABA H . 6 . HN 1 3
2 1 1 1 1 2 ASP O . 2 . O 1 3
2 1 2 1 1 6 ABA N . 6 . N 1 3
3 1 1 1 1 3 ABA O . 3 . O 1 3
3 1 2 1 1 7 LEU H . 7 . HN 1 3
4 1 1 1 1 3 ABA O . 3 . O 1 3
4 1 2 1 1 7 LEU N . 7 . N 1 3
5 1 1 1 1 4 CYS O . 4 . O 1 3
5 1 2 1 1 8 LYS H . 8 . HN 1 3
6 1 1 1 1 4 CYS O . 4 . O 1 3
6 1 2 1 1 8 LYS N . 8 . N 1 3
7 1 1 1 1 5 LYS O . 5 . O 1 3
7 1 2 1 1 9 ABA H . 9 . HN 1 3
8 1 1 1 1 5 LYS O . 5 . O 1 3
8 1 2 1 1 9 ABA N . 9 . N 1 3
9 1 1 1 1 6 ABA O . 6 . O 1 3
9 1 2 1 1 10 ARG H . 10 . HN 1 3
10 1 1 1 1 6 ABA O . 6 . O 1 3
10 1 2 1 1 10 ARG N . 10 . N 1 3
11 1 1 1 1 7 LEU O . 7 . O 1 3
11 1 2 1 1 11 TYR H . 11 . HN 1 3
12 1 1 1 1 7 LEU O . 7 . O 1 3
12 1 2 1 1 11 TYR N . 11 . N 1 3
13 1 1 1 1 11 TYR O . 11 . O 1 3
13 1 2 1 1 14 CYS H . 14 . HN 1 3
14 1 1 1 1 11 TYR O . 11 . O 1 3
14 1 2 1 1 14 CYS N . 14 . N 1 3
15 1 1 1 1 19 ASP O . 19 . O 1 3
15 1 2 1 1 22 ARG H . 22 . HN 1 3
16 1 1 1 1 19 ASP O . 19 . O 1 3
16 1 2 1 1 22 ARG N . 22 . N 1 3
17 1 1 1 1 19 ASP H . 19 . HN 1 3
17 1 2 1 1 22 ARG O . 22 . O 1 3
18 1 1 1 1 19 ASP N . 19 . N 1 3
18 1 2 1 1 22 ARG O . 22 . O 1 3
19 1 1 1 1 17 ARG O . 17 . O 1 3
19 1 2 1 1 24 GLU H . 24 . HN 1 3
20 1 1 1 1 17 ARG O . 17 . O 1 3
20 1 2 1 1 24 GLU N . 24 . N 1 3
21 1 1 1 1 17 ARG H . 17 . HN 1 3
21 1 2 1 1 24 GLU O . 24 . O 1 3
22 1 1 1 1 17 ARG N . 17 . N 1 3
22 1 2 1 1 24 GLU O . 24 . O 1 3
23 1 1 1 1 15 GLU O . 15 . O 1 3
23 1 2 1 1 26 HIS H . 26 . HN 1 3
24 1 1 1 1 15 GLU O . 15 . O 1 3
24 1 2 1 1 26 HIS N . 26 . N 1 3
25 1 1 1 1 15 GLU H . 15 . HN 1 3
25 1 2 1 1 26 HIS O . 26 . O 1 3
26 1 1 1 1 15 GLU N . 15 . N 1 3
26 1 2 1 1 26 HIS O . 26 . O 1 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 1.9 1.8 2.0 1 3
2 1 . . . . . 2.9 2.7 3.1 1 3
3 1 . . . . . 1.9 1.8 2.0 1 3
4 1 . . . . . 2.9 2.7 3.1 1 3
5 1 . . . . . 1.9 1.8 2.0 1 3
6 1 . . . . . 2.9 2.7 3.1 1 3
7 1 . . . . . 1.9 1.8 2.0 1 3
8 1 . . . . . 2.9 2.7 3.1 1 3
9 1 . . . . . 1.9 1.8 2.0 1 3
10 1 . . . . . 2.9 2.7 3.1 1 3
11 1 . . . . . 1.9 1.8 2.0 1 3
12 1 . . . . . 2.9 2.7 3.1 1 3
13 1 . . . . . 1.9 1.8 2.0 1 3
14 1 . . . . . 2.9 2.7 3.1 1 3
15 1 . . . . . 1.9 1.8 2.0 1 3
16 1 . . . . . 2.9 2.7 3.1 1 3
17 1 . . . . . 1.9 1.8 2.0 1 3
18 1 . . . . . 2.9 2.7 3.1 1 3
19 1 . . . . . 1.9 1.8 2.0 1 3
20 1 . . . . . 2.9 2.7 3.1 1 3
21 1 . . . . . 1.9 1.8 2.0 1 3
22 1 . . . . . 2.9 2.7 3.1 1 3
23 1 . . . . . 1.9 1.8 2.0 1 3
24 1 . . . . . 2.9 2.7 3.1 1 3
25 1 . . . . . 1.9 1.8 2.0 1 3
26 1 . . . . . 2.9 2.7 3.1 1 3
stop_
save_
save_CNS/XPLOR_dihedral_5
_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 3 ABA 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
2 . 1 1 4 CYS C 1 1 5 LYS N 1 1 5 LYS CA 1 1 5 LYS C -89.99999 -40.0 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1
3 . 1 1 6 ABA 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
4 . 1 1 7 LEU C 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS C -89.99999 -40.0 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1
5 . 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
6 . 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
7 . 1 1 21 PRO C 1 1 22 ARG N 1 1 22 ARG CA 1 1 22 ARG C -160.0 -80.0 . 21 . C . 22 . N . 22 . CA . 22 . C 1 1
8 . 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
9 . 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
10 . 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
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 8.993 -9.200 -2.084 1.00 . A A . 1 ASN C 1 1
1 2 1 1 1 ASN CA C 8.770 -10.660 -1.720 1.00 . A A . 1 ASN CA 1 1
1 3 1 1 1 ASN CB C 8.906 -10.851 -0.202 1.00 . A A . 1 ASN CB 1 1
1 4 1 1 1 ASN CG C 10.271 -10.452 0.327 1.00 . A A . 1 ASN CG 1 1
1 5 1 1 1 ASN H1 H 9.622 -11.387 -3.471 1.00 . A A . 1 ASN H1 1 1
1 6 1 1 1 ASN H2 H 9.574 -12.514 -2.213 1.00 . A A . 1 ASN H2 1 1
1 7 1 1 1 ASN H3 H 10.707 -11.259 -2.183 1.00 . A A . 1 ASN H3 1 1
1 8 1 1 1 ASN HA H 7.774 -10.943 -2.024 1.00 . A A . 1 ASN HA 1 1
1 9 1 1 1 ASN HB2 H 8.160 -10.255 0.297 1.00 . A A . 1 ASN HB2 1 1
1 10 1 1 1 ASN HB3 H 8.740 -11.893 0.036 1.00 . A A . 1 ASN HB3 1 1
1 11 1 1 1 ASN HD21 H 9.455 -9.825 2.028 1.00 . A A . 1 ASN HD21 1 1
1 12 1 1 1 ASN HD22 H 11.174 -9.664 1.911 1.00 . A A . 1 ASN HD22 1 1
1 13 1 1 1 ASN N N 9.734 -11.516 -2.445 1.00 . A A . 1 ASN N 1 1
1 14 1 1 1 ASN ND2 N 10.305 -9.928 1.543 1.00 . A A . 1 ASN ND2 1 1
1 15 1 1 1 ASN O O 9.986 -8.861 -2.729 1.00 . A A . 1 ASN O 1 1
1 16 1 1 1 ASN OD1 O 11.286 -10.607 -0.352 1.00 . A A . 1 ASN OD1 1 1
1 17 1 1 2 ASP C C 7.221 -6.162 -1.020 1.00 . A A . 2 ASP C 1 1
1 18 1 1 2 ASP CA C 8.138 -6.920 -1.969 1.00 . A A . 2 ASP CA 1 1
1 19 1 1 2 ASP CB C 7.729 -6.650 -3.420 1.00 . A A . 2 ASP CB 1 1
1 20 1 1 2 ASP CG C 7.876 -5.194 -3.813 1.00 . A A . 2 ASP CG 1 1
1 21 1 1 2 ASP H H 7.307 -8.675 -1.151 1.00 . A A . 2 ASP H 1 1
1 22 1 1 2 ASP HA H 9.155 -6.592 -1.816 1.00 . A A . 2 ASP HA 1 1
1 23 1 1 2 ASP HB2 H 8.347 -7.244 -4.077 1.00 . A A . 2 ASP HB2 1 1
1 24 1 1 2 ASP HB3 H 6.697 -6.936 -3.553 1.00 . A A . 2 ASP HB3 1 1
1 25 1 1 2 ASP N N 8.065 -8.343 -1.676 1.00 . A A . 2 ASP N 1 1
1 26 1 1 2 ASP O O 6.093 -6.595 -0.776 1.00 . A A . 2 ASP O 1 1
1 27 1 1 2 ASP OD1 O 6.978 -4.391 -3.490 1.00 . A A . 2 ASP OD1 1 1
1 28 1 1 2 ASP OD2 O 8.888 -4.846 -4.455 1.00 . A A . 2 ASP OD2 1 1
1 29 1 1 3 ABA C C 5.583 -3.873 -0.061 1.00 . A A . 3 AIB C 1 1
1 30 1 1 3 ABA CA C 6.968 -4.235 0.491 1.00 . A A . 3 AIB CA 1 1
1 31 1 1 3 ABA H H 8.615 -4.759 -0.743 1.00 . A A . 3 AIB H 1 1
1 32 1 1 3 ABA N N 7.715 -5.046 -0.484 1.00 . A A . 3 AIB N 1 1
1 33 1 1 3 ABA O O 4.557 -4.109 0.587 1.00 . A A . 3 AIB O 1 1
1 34 1 1 4 CYS C C 3.400 -4.052 -2.173 1.00 . A A . 4 CYS C 1 1
1 35 1 1 4 CYS CA C 4.308 -2.869 -1.866 1.00 . A A . 4 CYS CA 1 1
1 36 1 1 4 CYS CB C 4.572 -2.055 -3.135 1.00 . A A . 4 CYS CB 1 1
1 37 1 1 4 CYS H H 6.390 -3.240 -1.780 1.00 . A A . 4 CYS H 1 1
1 38 1 1 4 CYS HA H 3.815 -2.237 -1.145 1.00 . A A . 4 CYS HA 1 1
1 39 1 1 4 CYS HB2 H 5.168 -1.192 -2.881 1.00 . A A . 4 CYS HB2 1 1
1 40 1 1 4 CYS HB3 H 5.116 -2.664 -3.837 1.00 . A A . 4 CYS HB3 1 1
1 41 1 1 4 CYS N N 5.555 -3.324 -1.269 1.00 . A A . 4 CYS N 1 1
1 42 1 1 4 CYS O O 2.180 -3.937 -2.108 1.00 . A A . 4 CYS O 1 1
1 43 1 1 4 CYS SG S 3.060 -1.460 -3.965 1.00 . A A . 4 CYS SG 1 1
1 44 1 1 5 LYS C C 2.536 -6.858 -1.463 1.00 . A A . 5 LYS C 1 1
1 45 1 1 5 LYS CA C 3.241 -6.410 -2.738 1.00 . A A . 5 LYS CA 1 1
1 46 1 1 5 LYS CB C 4.167 -7.518 -3.251 1.00 . A A . 5 LYS CB 1 1
1 47 1 1 5 LYS CD C 2.430 -8.865 -4.505 1.00 . A A . 5 LYS CD 1 1
1 48 1 1 5 LYS CE C 1.821 -10.248 -4.701 1.00 . A A . 5 LYS CE 1 1
1 49 1 1 5 LYS CG C 3.492 -8.876 -3.415 1.00 . A A . 5 LYS CG 1 1
1 50 1 1 5 LYS H H 4.982 -5.213 -2.555 1.00 . A A . 5 LYS H 1 1
1 51 1 1 5 LYS HA H 2.500 -6.189 -3.487 1.00 . A A . 5 LYS HA 1 1
1 52 1 1 5 LYS HB2 H 4.561 -7.221 -4.211 1.00 . A A . 5 LYS HB2 1 1
1 53 1 1 5 LYS HB3 H 4.987 -7.632 -2.557 1.00 . A A . 5 LYS HB3 1 1
1 54 1 1 5 LYS HD2 H 1.647 -8.177 -4.226 1.00 . A A . 5 LYS HD2 1 1
1 55 1 1 5 LYS HD3 H 2.882 -8.544 -5.432 1.00 . A A . 5 LYS HD3 1 1
1 56 1 1 5 LYS HE2 H 1.120 -10.205 -5.522 1.00 . A A . 5 LYS HE2 1 1
1 57 1 1 5 LYS HE3 H 2.612 -10.944 -4.942 1.00 . A A . 5 LYS HE3 1 1
1 58 1 1 5 LYS HG2 H 4.240 -9.610 -3.670 1.00 . A A . 5 LYS HG2 1 1
1 59 1 1 5 LYS HG3 H 3.027 -9.146 -2.478 1.00 . A A . 5 LYS HG3 1 1
1 60 1 1 5 LYS HZ1 H 0.373 -10.047 -3.211 1.00 . A A . 5 LYS HZ1 1 1
1 61 1 1 5 LYS HZ2 H 1.779 -10.835 -2.696 1.00 . A A . 5 LYS HZ2 1 1
1 62 1 1 5 LYS HZ3 H 0.664 -11.647 -3.670 1.00 . A A . 5 LYS HZ3 1 1
1 63 1 1 5 LYS N N 4.001 -5.191 -2.489 1.00 . A A . 5 LYS N 1 1
1 64 1 1 5 LYS NZ N 1.111 -10.726 -3.484 1.00 . A A . 5 LYS NZ 1 1
1 65 1 1 5 LYS O O 1.344 -7.178 -1.483 1.00 . A A . 5 LYS O 1 1
1 66 1 1 6 ABA C C 1.579 -6.342 1.312 1.00 . A A . 6 AIB C 1 1
1 67 1 1 6 ABA CA C 2.758 -7.251 0.950 1.00 . A A . 6 AIB CA 1 1
1 68 1 1 6 ABA H H 4.224 -6.577 -0.427 1.00 . A A . 6 AIB H 1 1
1 69 1 1 6 ABA N N 3.283 -6.858 -0.360 1.00 . A A . 6 AIB N 1 1
1 70 1 1 6 ABA O O 0.507 -6.815 1.711 1.00 . A A . 6 AIB O 1 1
1 71 1 1 7 LEU C C -0.448 -4.230 0.559 1.00 . A A . 7 LEU C 1 1
1 72 1 1 7 LEU CA C 0.758 -4.055 1.467 1.00 . A A . 7 LEU CA 1 1
1 73 1 1 7 LEU CB C 1.303 -2.632 1.325 1.00 . A A . 7 LEU CB 1 1
1 74 1 1 7 LEU CD1 C 2.981 -0.879 1.932 1.00 . A A . 7 LEU CD1 1 1
1 75 1 1 7 LEU CD2 C 2.145 -2.441 3.684 1.00 . A A . 7 LEU CD2 1 1
1 76 1 1 7 LEU CG C 2.503 -2.293 2.213 1.00 . A A . 7 LEU CG 1 1
1 77 1 1 7 LEU H H 2.655 -4.729 0.807 1.00 . A A . 7 LEU H 1 1
1 78 1 1 7 LEU HA H 0.448 -4.216 2.489 1.00 . A A . 7 LEU HA 1 1
1 79 1 1 7 LEU HB2 H 1.591 -2.485 0.295 1.00 . A A . 7 LEU HB2 1 1
1 80 1 1 7 LEU HB3 H 0.508 -1.943 1.556 1.00 . A A . 7 LEU HB3 1 1
1 81 1 1 7 LEU HD11 H 3.829 -0.655 2.561 1.00 . A A . 7 LEU HD11 1 1
1 82 1 1 7 LEU HD12 H 2.182 -0.184 2.141 1.00 . A A . 7 LEU HD12 1 1
1 83 1 1 7 LEU HD13 H 3.268 -0.795 0.894 1.00 . A A . 7 LEU HD13 1 1
1 84 1 1 7 LEU HD21 H 1.847 -3.458 3.884 1.00 . A A . 7 LEU HD21 1 1
1 85 1 1 7 LEU HD22 H 1.331 -1.773 3.923 1.00 . A A . 7 LEU HD22 1 1
1 86 1 1 7 LEU HD23 H 3.004 -2.190 4.289 1.00 . A A . 7 LEU HD23 1 1
1 87 1 1 7 LEU HG H 3.314 -2.973 1.991 1.00 . A A . 7 LEU HG 1 1
1 88 1 1 7 LEU N N 1.785 -5.038 1.150 1.00 . A A . 7 LEU N 1 1
1 89 1 1 7 LEU O O -1.585 -4.177 1.013 1.00 . A A . 7 LEU O 1 1
1 90 1 1 8 LYS C C -2.140 -5.797 -1.307 1.00 . A A . 8 LYS C 1 1
1 91 1 1 8 LYS CA C -1.244 -4.634 -1.702 1.00 . A A . 8 LYS CA 1 1
1 92 1 1 8 LYS CB C -0.632 -4.875 -3.084 1.00 . A A . 8 LYS CB 1 1
1 93 1 1 8 LYS CD C -0.979 -5.421 -5.515 1.00 . A A . 8 LYS CD 1 1
1 94 1 1 8 LYS CE C -0.174 -4.253 -6.075 1.00 . A A . 8 LYS CE 1 1
1 95 1 1 8 LYS CG C -1.654 -5.069 -4.195 1.00 . A A . 8 LYS CG 1 1
1 96 1 1 8 LYS H H 0.749 -4.493 -1.013 1.00 . A A . 8 LYS H 1 1
1 97 1 1 8 LYS HA H -1.833 -3.733 -1.728 1.00 . A A . 8 LYS HA 1 1
1 98 1 1 8 LYS HB2 H -0.013 -4.028 -3.338 1.00 . A A . 8 LYS HB2 1 1
1 99 1 1 8 LYS HB3 H -0.010 -5.758 -3.039 1.00 . A A . 8 LYS HB3 1 1
1 100 1 1 8 LYS HD2 H -0.314 -6.255 -5.353 1.00 . A A . 8 LYS HD2 1 1
1 101 1 1 8 LYS HD3 H -1.739 -5.699 -6.231 1.00 . A A . 8 LYS HD3 1 1
1 102 1 1 8 LYS HE2 H 0.476 -3.874 -5.302 1.00 . A A . 8 LYS HE2 1 1
1 103 1 1 8 LYS HE3 H 0.423 -4.608 -6.903 1.00 . A A . 8 LYS HE3 1 1
1 104 1 1 8 LYS HG2 H -2.324 -5.869 -3.919 1.00 . A A . 8 LYS HG2 1 1
1 105 1 1 8 LYS HG3 H -2.215 -4.153 -4.319 1.00 . A A . 8 LYS HG3 1 1
1 106 1 1 8 LYS HZ1 H -1.641 -3.479 -7.342 1.00 . A A . 8 LYS HZ1 1 1
1 107 1 1 8 LYS HZ2 H -0.475 -2.347 -6.875 1.00 . A A . 8 LYS HZ2 1 1
1 108 1 1 8 LYS HZ3 H -1.671 -2.827 -5.784 1.00 . A A . 8 LYS HZ3 1 1
1 109 1 1 8 LYS N N -0.187 -4.451 -0.719 1.00 . A A . 8 LYS N 1 1
1 110 1 1 8 LYS NZ N -1.050 -3.150 -6.551 1.00 . A A . 8 LYS NZ 1 1
1 111 1 1 8 LYS O O -3.357 -5.645 -1.227 1.00 . A A . 8 LYS O 1 1
1 112 1 1 9 ABA C C -2.995 -7.903 0.676 1.00 . A A . 9 AIB C 1 1
1 113 1 1 9 ABA CA C -2.233 -8.154 -0.629 1.00 . A A . 9 AIB CA 1 1
1 114 1 1 9 ABA H H -0.536 -6.966 -1.089 1.00 . A A . 9 AIB H 1 1
1 115 1 1 9 ABA N N -1.516 -6.938 -1.027 1.00 . A A . 9 AIB N 1 1
1 116 1 1 9 ABA O O -4.111 -8.394 0.859 1.00 . A A . 9 AIB O 1 1
1 117 1 1 10 ARG C C -4.244 -5.982 2.692 1.00 . A A . 10 ARG C 1 1
1 118 1 1 10 ARG CA C -3.002 -6.848 2.867 1.00 . A A . 10 ARG CA 1 1
1 119 1 1 10 ARG CB C -2.010 -6.133 3.787 1.00 . A A . 10 ARG CB 1 1
1 120 1 1 10 ARG CD C -1.587 -5.072 6.031 1.00 . A A . 10 ARG CD 1 1
1 121 1 1 10 ARG CG C -2.539 -5.915 5.194 1.00 . A A . 10 ARG CG 1 1
1 122 1 1 10 ARG CZ C 0.833 -4.968 6.496 1.00 . A A . 10 ARG CZ 1 1
1 123 1 1 10 ARG H H -1.499 -6.766 1.376 1.00 . A A . 10 ARG H 1 1
1 124 1 1 10 ARG HA H -3.290 -7.784 3.317 1.00 . A A . 10 ARG HA 1 1
1 125 1 1 10 ARG HB2 H -1.107 -6.723 3.852 1.00 . A A . 10 ARG HB2 1 1
1 126 1 1 10 ARG HB3 H -1.770 -5.169 3.362 1.00 . A A . 10 ARG HB3 1 1
1 127 1 1 10 ARG HD2 H -1.521 -4.087 5.592 1.00 . A A . 10 ARG HD2 1 1
1 128 1 1 10 ARG HD3 H -1.987 -4.990 7.031 1.00 . A A . 10 ARG HD3 1 1
1 129 1 1 10 ARG HE H -0.137 -6.591 5.828 1.00 . A A . 10 ARG HE 1 1
1 130 1 1 10 ARG HG2 H -3.490 -5.407 5.131 1.00 . A A . 10 ARG HG2 1 1
1 131 1 1 10 ARG HG3 H -2.674 -6.874 5.671 1.00 . A A . 10 ARG HG3 1 1
1 132 1 1 10 ARG HH11 H 1.518 -3.204 7.229 1.00 . A A . 10 ARG HH11 1 1
1 133 1 1 10 ARG HH12 H -0.196 -3.287 6.976 1.00 . A A . 10 ARG HH12 1 1
1 134 1 1 10 ARG HH21 H 2.122 -6.498 6.174 1.00 . A A . 10 ARG HH21 1 1
1 135 1 1 10 ARG HH22 H 2.842 -5.039 6.778 1.00 . A A . 10 ARG HH22 1 1
1 136 1 1 10 ARG N N -2.387 -7.140 1.579 1.00 . A A . 10 ARG N 1 1
1 137 1 1 10 ARG NE N -0.243 -5.648 6.100 1.00 . A A . 10 ARG NE 1 1
1 138 1 1 10 ARG NH1 N 0.710 -3.718 6.932 1.00 . A A . 10 ARG NH1 1 1
1 139 1 1 10 ARG NH2 N 2.027 -5.548 6.482 1.00 . A A . 10 ARG NH2 1 1
1 140 1 1 10 ARG O O -5.286 -6.240 3.291 1.00 . A A . 10 ARG O 1 1
1 141 1 1 11 TYR C C -6.016 -4.305 0.433 1.00 . A A . 11 TYR C 1 1
1 142 1 1 11 TYR CA C -5.190 -3.993 1.671 1.00 . A A . 11 TYR CA 1 1
1 143 1 1 11 TYR CB C -4.593 -2.590 1.558 1.00 . A A . 11 TYR CB 1 1
1 144 1 1 11 TYR CD1 C -4.513 -1.918 3.988 1.00 . A A . 11 TYR CD1 1 1
1 145 1 1 11 TYR CD2 C -2.475 -1.940 2.760 1.00 . A A . 11 TYR CD2 1 1
1 146 1 1 11 TYR CE1 C -3.833 -1.500 5.115 1.00 . A A . 11 TYR CE1 1 1
1 147 1 1 11 TYR CE2 C -1.788 -1.525 3.880 1.00 . A A . 11 TYR CE2 1 1
1 148 1 1 11 TYR CG C -3.845 -2.145 2.793 1.00 . A A . 11 TYR CG 1 1
1 149 1 1 11 TYR CZ C -2.471 -1.305 5.055 1.00 . A A . 11 TYR CZ 1 1
1 150 1 1 11 TYR H H -3.299 -4.872 1.332 1.00 . A A . 11 TYR H 1 1
1 151 1 1 11 TYR HA H -5.829 -4.032 2.539 1.00 . A A . 11 TYR HA 1 1
1 152 1 1 11 TYR HB2 H -3.903 -2.568 0.728 1.00 . A A . 11 TYR HB2 1 1
1 153 1 1 11 TYR HB3 H -5.387 -1.885 1.377 1.00 . A A . 11 TYR HB3 1 1
1 154 1 1 11 TYR HD1 H -5.580 -2.074 4.032 1.00 . A A . 11 TYR HD1 1 1
1 155 1 1 11 TYR HD2 H -1.940 -2.116 1.836 1.00 . A A . 11 TYR HD2 1 1
1 156 1 1 11 TYR HE1 H -4.369 -1.330 6.034 1.00 . A A . 11 TYR HE1 1 1
1 157 1 1 11 TYR HE2 H -0.723 -1.374 3.832 1.00 . A A . 11 TYR HE2 1 1
1 158 1 1 11 TYR HH H -2.033 -1.441 6.924 1.00 . A A . 11 TYR HH 1 1
1 159 1 1 11 TYR N N -4.128 -4.968 1.854 1.00 . A A . 11 TYR N 1 1
1 160 1 1 11 TYR O O -6.482 -3.396 -0.247 1.00 . A A . 11 TYR O 1 1
1 161 1 1 11 TYR OH O -1.790 -0.885 6.173 1.00 . A A . 11 TYR OH 1 1
1 162 1 1 12 ABA C C -8.411 -5.480 -0.947 1.00 . A A . 12 AIB C 1 1
1 163 1 1 12 ABA CA C -6.991 -6.064 -0.991 1.00 . A A . 12 AIB CA 1 1
1 164 1 1 12 ABA H H -5.786 -6.259 0.753 1.00 . A A . 12 AIB H 1 1
1 165 1 1 12 ABA N N -6.203 -5.594 0.164 1.00 . A A . 12 AIB N 1 1
1 166 1 1 12 ABA O O -9.008 -5.186 -1.986 1.00 . A A . 12 AIB O 1 1
1 167 1 1 13 GLY C C -10.322 -3.266 0.281 1.00 . A A . 13 GLY C 1 1
1 168 1 1 13 GLY CA C -10.286 -4.776 0.410 1.00 . A A . 13 GLY CA 1 1
1 169 1 1 13 GLY H H -8.418 -5.540 1.051 1.00 . A A . 13 GLY H 1 1
1 170 1 1 13 GLY HA2 H -10.920 -5.206 -0.349 1.00 . A A . 13 GLY HA2 1 1
1 171 1 1 13 GLY HA3 H -10.665 -5.052 1.382 1.00 . A A . 13 GLY HA3 1 1
1 172 1 1 13 GLY N N -8.943 -5.308 0.257 1.00 . A A . 13 GLY N 1 1
1 173 1 1 13 GLY O O -11.383 -2.647 0.349 1.00 . A A . 13 GLY O 1 1
1 174 1 1 14 CYS C C -8.126 -0.947 -1.260 1.00 . A A . 14 CYS C 1 1
1 175 1 1 14 CYS CA C -9.011 -1.243 -0.055 1.00 . A A . 14 CYS CA 1 1
1 176 1 1 14 CYS CB C -8.382 -0.664 1.214 1.00 . A A . 14 CYS CB 1 1
1 177 1 1 14 CYS H H -8.348 -3.239 0.018 1.00 . A A . 14 CYS H 1 1
1 178 1 1 14 CYS HA H -9.987 -0.811 -0.207 1.00 . A A . 14 CYS HA 1 1
1 179 1 1 14 CYS HB2 H -7.381 -1.049 1.315 1.00 . A A . 14 CYS HB2 1 1
1 180 1 1 14 CYS HB3 H -8.339 0.412 1.126 1.00 . A A . 14 CYS HB3 1 1
1 181 1 1 14 CYS N N -9.154 -2.680 0.085 1.00 . A A . 14 CYS N 1 1
1 182 1 1 14 CYS O O -7.886 -1.825 -2.088 1.00 . A A . 14 CYS O 1 1
1 183 1 1 14 CYS SG S -9.283 -1.055 2.748 1.00 . A A . 14 CYS SG 1 1
1 184 1 1 15 GLU C C -5.435 1.186 -1.743 1.00 . A A . 15 GLU C 1 1
1 185 1 1 15 GLU CA C -6.697 0.640 -2.400 1.00 . A A . 15 GLU CA 1 1
1 186 1 1 15 GLU CB C -7.273 1.686 -3.352 1.00 . A A . 15 GLU CB 1 1
1 187 1 1 15 GLU CD C -9.065 2.303 -4.997 1.00 . A A . 15 GLU CD 1 1
1 188 1 1 15 GLU CG C -8.531 1.236 -4.074 1.00 . A A . 15 GLU CG 1 1
1 189 1 1 15 GLU H H -8.000 0.983 -0.769 1.00 . A A . 15 GLU H 1 1
1 190 1 1 15 GLU HA H -6.452 -0.253 -2.953 1.00 . A A . 15 GLU HA 1 1
1 191 1 1 15 GLU HB2 H -7.512 2.574 -2.786 1.00 . A A . 15 GLU HB2 1 1
1 192 1 1 15 GLU HB3 H -6.526 1.932 -4.093 1.00 . A A . 15 GLU HB3 1 1
1 193 1 1 15 GLU HG2 H -8.303 0.356 -4.657 1.00 . A A . 15 GLU HG2 1 1
1 194 1 1 15 GLU HG3 H -9.288 1.000 -3.342 1.00 . A A . 15 GLU HG3 1 1
1 195 1 1 15 GLU N N -7.668 0.286 -1.378 1.00 . A A . 15 GLU N 1 1
1 196 1 1 15 GLU O O -5.520 2.096 -0.919 1.00 . A A . 15 GLU O 1 1
1 197 1 1 15 GLU OE1 O -9.561 3.331 -4.493 1.00 . A A . 15 GLU OE1 1 1
1 198 1 1 15 GLU OE2 O -8.989 2.125 -6.231 1.00 . A A . 15 GLU OE2 1 1
1 199 1 1 16 MVA C C -1.978 1.611 -2.519 1.00 . A A . 16 MVA C 1 1
1 200 1 1 16 MVA CA C -3.003 1.151 -1.476 1.00 . A A . 16 MVA CA 1 1
1 201 1 1 16 MVA CB C -2.343 0.127 -0.493 1.00 . A A . 16 MVA CB 1 1
1 202 1 1 16 MVA CG1 C -1.808 -1.114 -1.188 1.00 . A A . 16 MVA CG1 1 1
1 203 1 1 16 MVA CG2 C -1.229 0.801 0.299 1.00 . A A . 16 MVA CG2 1 1
1 204 1 1 16 MVA CN C -4.207 -0.395 -3.135 1.00 . A A . 16 MVA CN 1 1
1 205 1 1 16 MVA HA H -3.244 2.027 -0.884 1.00 . A A . 16 MVA HA 1 1
1 206 1 1 16 MVA HB H -3.096 -0.192 0.212 1.00 . A A . 16 MVA HB 1 1
1 207 1 1 16 MVA HG11 H -1.121 -0.819 -1.969 1.00 . A A . 16 MVA HG11 1 1
1 208 1 1 16 MVA HG12 H -2.628 -1.669 -1.616 1.00 . A A . 16 MVA HG12 1 1
1 209 1 1 16 MVA HG13 H -1.289 -1.731 -0.468 1.00 . A A . 16 MVA HG13 1 1
1 210 1 1 16 MVA HG21 H -0.504 1.219 -0.385 1.00 . A A . 16 MVA HG21 1 1
1 211 1 1 16 MVA HG22 H -0.744 0.071 0.931 1.00 . A A . 16 MVA HG22 1 1
1 212 1 1 16 MVA HG23 H -1.644 1.589 0.910 1.00 . A A . 16 MVA HG23 1 1
1 213 1 1 16 MVA HN1 H -3.180 -0.589 -3.407 1.00 . A A . 16 MVA HN1 1 1
1 214 1 1 16 MVA HN2 H -4.751 -0.061 -4.006 1.00 . A A . 16 MVA HN2 1 1
1 215 1 1 16 MVA HN3 H -4.654 -1.300 -2.754 1.00 . A A . 16 MVA HN3 1 1
1 216 1 1 16 MVA N N -4.250 0.656 -2.094 1.00 . A A . 16 MVA N 1 1
1 217 1 1 16 MVA O O -1.457 0.833 -3.325 1.00 . A A . 16 MVA O 1 1
1 218 1 1 17 ARG C C 0.607 3.572 -2.660 1.00 . A A . 17 ARG C 1 1
1 219 1 1 17 ARG CA C -0.741 3.515 -3.366 1.00 . A A . 17 ARG CA 1 1
1 220 1 1 17 ARG CB C -1.208 4.922 -3.735 1.00 . A A . 17 ARG CB 1 1
1 221 1 1 17 ARG CD C -0.693 7.114 -4.833 1.00 . A A . 17 ARG CD 1 1
1 222 1 1 17 ARG CG C -0.256 5.670 -4.646 1.00 . A A . 17 ARG CG 1 1
1 223 1 1 17 ARG CZ C 0.803 9.017 -5.325 1.00 . A A . 17 ARG CZ 1 1
1 224 1 1 17 ARG H H -2.189 3.466 -1.849 1.00 . A A . 17 ARG H 1 1
1 225 1 1 17 ARG HA H -0.652 2.917 -4.259 1.00 . A A . 17 ARG HA 1 1
1 226 1 1 17 ARG HB2 H -2.163 4.852 -4.231 1.00 . A A . 17 ARG HB2 1 1
1 227 1 1 17 ARG HB3 H -1.326 5.495 -2.829 1.00 . A A . 17 ARG HB3 1 1
1 228 1 1 17 ARG HD2 H -1.671 7.128 -5.293 1.00 . A A . 17 ARG HD2 1 1
1 229 1 1 17 ARG HD3 H -0.747 7.588 -3.864 1.00 . A A . 17 ARG HD3 1 1
1 230 1 1 17 ARG HE H 0.445 7.486 -6.562 1.00 . A A . 17 ARG HE 1 1
1 231 1 1 17 ARG HG2 H 0.731 5.650 -4.209 1.00 . A A . 17 ARG HG2 1 1
1 232 1 1 17 ARG HG3 H -0.235 5.178 -5.608 1.00 . A A . 17 ARG HG3 1 1
1 233 1 1 17 ARG HH11 H 0.978 10.427 -3.877 1.00 . A A . 17 ARG HH11 1 1
1 234 1 1 17 ARG HH12 H -0.078 9.103 -3.487 1.00 . A A . 17 ARG HH12 1 1
1 235 1 1 17 ARG HH21 H 1.821 9.226 -7.065 1.00 . A A . 17 ARG HH21 1 1
1 236 1 1 17 ARG HH22 H 2.066 10.493 -5.905 1.00 . A A . 17 ARG HH22 1 1
1 237 1 1 17 ARG N N -1.713 2.900 -2.496 1.00 . A A . 17 ARG N 1 1
1 238 1 1 17 ARG NE N 0.236 7.863 -5.677 1.00 . A A . 17 ARG NE 1 1
1 239 1 1 17 ARG NH1 N 0.550 9.560 -4.137 1.00 . A A . 17 ARG NH1 1 1
1 240 1 1 17 ARG NH2 N 1.628 9.629 -6.166 1.00 . A A . 17 ARG NH2 1 1
1 241 1 1 17 ARG O O 0.824 4.406 -1.780 1.00 . A A . 17 ARG O 1 1
1 242 1 1 18 CYS C C 3.737 3.621 -3.109 1.00 . A A . 18 CYS C 1 1
1 243 1 1 18 CYS CA C 2.817 2.619 -2.423 1.00 . A A . 18 CYS CA 1 1
1 244 1 1 18 CYS CB C 3.390 1.203 -2.529 1.00 . A A . 18 CYS CB 1 1
1 245 1 1 18 CYS H H 1.255 2.008 -3.705 1.00 . A A . 18 CYS H 1 1
1 246 1 1 18 CYS HA H 2.723 2.886 -1.380 1.00 . A A . 18 CYS HA 1 1
1 247 1 1 18 CYS HB2 H 4.413 1.209 -2.182 1.00 . A A . 18 CYS HB2 1 1
1 248 1 1 18 CYS HB3 H 2.808 0.539 -1.907 1.00 . A A . 18 CYS HB3 1 1
1 249 1 1 18 CYS N N 1.493 2.664 -3.018 1.00 . A A . 18 CYS N 1 1
1 250 1 1 18 CYS O O 3.823 3.657 -4.339 1.00 . A A . 18 CYS O 1 1
1 251 1 1 18 CYS SG S 3.383 0.527 -4.222 1.00 . A A . 18 CYS SG 1 1
1 252 1 1 19 ASP C C 6.601 5.480 -2.057 1.00 . A A . 19 ASP C 1 1
1 253 1 1 19 ASP CA C 5.311 5.449 -2.863 1.00 . A A . 19 ASP CA 1 1
1 254 1 1 19 ASP CB C 4.660 6.832 -2.856 1.00 . A A . 19 ASP CB 1 1
1 255 1 1 19 ASP CG C 5.543 7.881 -3.503 1.00 . A A . 19 ASP CG 1 1
1 256 1 1 19 ASP H H 4.301 4.375 -1.345 1.00 . A A . 19 ASP H 1 1
1 257 1 1 19 ASP HA H 5.540 5.172 -3.879 1.00 . A A . 19 ASP HA 1 1
1 258 1 1 19 ASP HB2 H 3.726 6.788 -3.396 1.00 . A A . 19 ASP HB2 1 1
1 259 1 1 19 ASP HB3 H 4.470 7.126 -1.835 1.00 . A A . 19 ASP HB3 1 1
1 260 1 1 19 ASP N N 4.406 4.446 -2.321 1.00 . A A . 19 ASP N 1 1
1 261 1 1 19 ASP O O 6.684 6.165 -1.036 1.00 . A A . 19 ASP O 1 1
1 262 1 1 19 ASP OD1 O 6.026 8.789 -2.789 1.00 . A A . 19 ASP OD1 1 1
1 263 1 1 19 ASP OD2 O 5.768 7.801 -4.728 1.00 . A A . 19 ASP OD2 1 1
1 264 1 1 20 DPR C C 8.696 4.132 -0.354 1.00 . A A . 20 DPR C 1 1
1 265 1 1 20 DPR CA C 8.892 4.614 -1.790 1.00 . A A . 20 DPR CA 1 1
1 266 1 1 20 DPR CB C 9.675 3.583 -2.601 1.00 . A A . 20 DPR CB 1 1
1 267 1 1 20 DPR CD C 7.613 3.942 -3.746 1.00 . A A . 20 DPR CD 1 1
1 268 1 1 20 DPR CG C 9.063 3.616 -3.956 1.00 . A A . 20 DPR CG 1 1
1 269 1 1 20 DPR HA H 9.432 5.547 -1.788 1.00 . A A . 20 DPR HA 1 1
1 270 1 1 20 DPR HB2 H 10.717 3.860 -2.630 1.00 . A A . 20 DPR HB2 1 1
1 271 1 1 20 DPR HB3 H 9.567 2.611 -2.147 1.00 . A A . 20 DPR HB3 1 1
1 272 1 1 20 DPR HD2 H 7.239 4.527 -4.572 1.00 . A A . 20 DPR HD2 1 1
1 273 1 1 20 DPR HD3 H 7.037 3.040 -3.626 1.00 . A A . 20 DPR HD3 1 1
1 274 1 1 20 DPR HG2 H 9.538 4.379 -4.558 1.00 . A A . 20 DPR HG2 1 1
1 275 1 1 20 DPR HG3 H 9.165 2.650 -4.428 1.00 . A A . 20 DPR HG3 1 1
1 276 1 1 20 DPR N N 7.619 4.730 -2.503 1.00 . A A . 20 DPR N 1 1
1 277 1 1 20 DPR O O 8.210 3.024 -0.120 1.00 . A A . 20 DPR O 1 1
1 278 1 1 21 PRO C C 7.504 4.881 2.566 1.00 . A A . 21 PRO C 1 1
1 279 1 1 21 PRO CA C 8.922 4.645 2.042 1.00 . A A . 21 PRO CA 1 1
1 280 1 1 21 PRO CB C 9.899 5.615 2.699 1.00 . A A . 21 PRO CB 1 1
1 281 1 1 21 PRO CD C 9.657 6.305 0.421 1.00 . A A . 21 PRO CD 1 1
1 282 1 1 21 PRO CG C 9.864 6.817 1.822 1.00 . A A . 21 PRO CG 1 1
1 283 1 1 21 PRO HA H 9.221 3.629 2.250 1.00 . A A . 21 PRO HA 1 1
1 284 1 1 21 PRO HB2 H 9.567 5.842 3.701 1.00 . A A . 21 PRO HB2 1 1
1 285 1 1 21 PRO HB3 H 10.884 5.176 2.728 1.00 . A A . 21 PRO HB3 1 1
1 286 1 1 21 PRO HD2 H 8.981 6.948 -0.121 1.00 . A A . 21 PRO HD2 1 1
1 287 1 1 21 PRO HD3 H 10.601 6.227 -0.097 1.00 . A A . 21 PRO HD3 1 1
1 288 1 1 21 PRO HG2 H 9.046 7.456 2.113 1.00 . A A . 21 PRO HG2 1 1
1 289 1 1 21 PRO HG3 H 10.800 7.351 1.891 1.00 . A A . 21 PRO HG3 1 1
1 290 1 1 21 PRO N N 9.060 4.970 0.623 1.00 . A A . 21 PRO N 1 1
1 291 1 1 21 PRO O O 7.187 4.547 3.709 1.00 . A A . 21 PRO O 1 1
1 292 1 1 22 ARG C C 4.292 4.870 1.468 1.00 . A A . 22 ARG C 1 1
1 293 1 1 22 ARG CA C 5.299 5.794 2.131 1.00 . A A . 22 ARG CA 1 1
1 294 1 1 22 ARG CB C 4.966 7.234 1.742 1.00 . A A . 22 ARG CB 1 1
1 295 1 1 22 ARG CD C 5.567 9.664 1.773 1.00 . A A . 22 ARG CD 1 1
1 296 1 1 22 ARG CG C 5.962 8.268 2.234 1.00 . A A . 22 ARG CG 1 1
1 297 1 1 22 ARG CZ C 4.241 10.216 -0.244 1.00 . A A . 22 ARG CZ 1 1
1 298 1 1 22 ARG H H 6.941 5.644 0.805 1.00 . A A . 22 ARG H 1 1
1 299 1 1 22 ARG HA H 5.226 5.686 3.202 1.00 . A A . 22 ARG HA 1 1
1 300 1 1 22 ARG HB2 H 4.923 7.297 0.665 1.00 . A A . 22 ARG HB2 1 1
1 301 1 1 22 ARG HB3 H 3.994 7.484 2.144 1.00 . A A . 22 ARG HB3 1 1
1 302 1 1 22 ARG HD2 H 4.660 9.953 2.282 1.00 . A A . 22 ARG HD2 1 1
1 303 1 1 22 ARG HD3 H 6.358 10.354 2.030 1.00 . A A . 22 ARG HD3 1 1
1 304 1 1 22 ARG HE H 6.044 9.339 -0.255 1.00 . A A . 22 ARG HE 1 1
1 305 1 1 22 ARG HG2 H 5.987 8.247 3.314 1.00 . A A . 22 ARG HG2 1 1
1 306 1 1 22 ARG HG3 H 6.940 8.030 1.843 1.00 . A A . 22 ARG HG3 1 1
1 307 1 1 22 ARG HH11 H 3.374 10.793 1.495 1.00 . A A . 22 ARG HH11 1 1
1 308 1 1 22 ARG HH12 H 2.462 11.132 0.060 1.00 . A A . 22 ARG HH12 1 1
1 309 1 1 22 ARG HH21 H 3.275 10.553 -1.991 1.00 . A A . 22 ARG HH21 1 1
1 310 1 1 22 ARG HH22 H 4.819 9.754 -2.134 1.00 . A A . 22 ARG HH22 1 1
1 311 1 1 22 ARG N N 6.655 5.455 1.727 1.00 . A A . 22 ARG N 1 1
1 312 1 1 22 ARG NE N 5.340 9.714 0.325 1.00 . A A . 22 ARG NE 1 1
1 313 1 1 22 ARG NH1 N 3.283 10.756 0.496 1.00 . A A . 22 ARG NH1 1 1
1 314 1 1 22 ARG NH2 N 4.100 10.175 -1.560 1.00 . A A . 22 ARG NH2 1 1
1 315 1 1 22 ARG O O 4.605 4.183 0.496 1.00 . A A . 22 ARG O 1 1
1 316 1 1 23 TYR C C 0.679 4.868 1.753 1.00 . A A . 23 TYR C 1 1
1 317 1 1 23 TYR CA C 1.975 4.172 1.381 1.00 . A A . 23 TYR CA 1 1
1 318 1 1 23 TYR CB C 1.928 2.697 1.793 1.00 . A A . 23 TYR CB 1 1
1 319 1 1 23 TYR CD1 C 0.323 2.168 3.666 1.00 . A A . 23 TYR CD1 1 1
1 320 1 1 23 TYR CD2 C 2.611 2.544 4.218 1.00 . A A . 23 TYR CD2 1 1
1 321 1 1 23 TYR CE1 C 0.031 1.958 4.998 1.00 . A A . 23 TYR CE1 1 1
1 322 1 1 23 TYR CE2 C 2.327 2.334 5.553 1.00 . A A . 23 TYR CE2 1 1
1 323 1 1 23 TYR CG C 1.616 2.466 3.254 1.00 . A A . 23 TYR CG 1 1
1 324 1 1 23 TYR CZ C 1.035 2.042 5.939 1.00 . A A . 23 TYR CZ 1 1
1 325 1 1 23 TYR H H 2.936 5.331 2.850 1.00 . A A . 23 TYR H 1 1
1 326 1 1 23 TYR HA H 2.105 4.233 0.311 1.00 . A A . 23 TYR HA 1 1
1 327 1 1 23 TYR HB2 H 1.169 2.197 1.214 1.00 . A A . 23 TYR HB2 1 1
1 328 1 1 23 TYR HB3 H 2.886 2.248 1.582 1.00 . A A . 23 TYR HB3 1 1
1 329 1 1 23 TYR HD1 H -0.461 2.106 2.926 1.00 . A A . 23 TYR HD1 1 1
1 330 1 1 23 TYR HD2 H 3.622 2.775 3.911 1.00 . A A . 23 TYR HD2 1 1
1 331 1 1 23 TYR HE1 H -0.981 1.726 5.296 1.00 . A A . 23 TYR HE1 1 1
1 332 1 1 23 TYR HE2 H 3.115 2.402 6.287 1.00 . A A . 23 TYR HE2 1 1
1 333 1 1 23 TYR HH H 1.149 2.540 7.797 1.00 . A A . 23 TYR HH 1 1
1 334 1 1 23 TYR N N 3.086 4.860 2.003 1.00 . A A . 23 TYR N 1 1
1 335 1 1 23 TYR O O 0.518 5.346 2.877 1.00 . A A . 23 TYR O 1 1
1 336 1 1 23 TYR OH O 0.746 1.836 7.269 1.00 . A A . 23 TYR OH 1 1
1 337 1 1 24 GLU C C -2.602 4.544 0.849 1.00 . A A . 24 GLU C 1 1
1 338 1 1 24 GLU CA C -1.507 5.580 1.032 1.00 . A A . 24 GLU CA 1 1
1 339 1 1 24 GLU CB C -1.705 6.741 0.060 1.00 . A A . 24 GLU CB 1 1
1 340 1 1 24 GLU CD C -0.791 8.909 -0.847 1.00 . A A . 24 GLU CD 1 1
1 341 1 1 24 GLU CG C -0.540 7.716 0.044 1.00 . A A . 24 GLU CG 1 1
1 342 1 1 24 GLU H H -0.024 4.581 -0.084 1.00 . A A . 24 GLU H 1 1
1 343 1 1 24 GLU HA H -1.528 5.950 2.045 1.00 . A A . 24 GLU HA 1 1
1 344 1 1 24 GLU HB2 H -1.831 6.342 -0.935 1.00 . A A . 24 GLU HB2 1 1
1 345 1 1 24 GLU HB3 H -2.597 7.281 0.337 1.00 . A A . 24 GLU HB3 1 1
1 346 1 1 24 GLU HG2 H -0.369 8.068 1.051 1.00 . A A . 24 GLU HG2 1 1
1 347 1 1 24 GLU HG3 H 0.341 7.200 -0.310 1.00 . A A . 24 GLU HG3 1 1
1 348 1 1 24 GLU N N -0.223 4.955 0.803 1.00 . A A . 24 GLU N 1 1
1 349 1 1 24 GLU O O -2.567 3.785 -0.106 1.00 . A A . 24 GLU O 1 1
1 350 1 1 24 GLU OE1 O -0.845 10.043 -0.324 1.00 . A A . 24 GLU OE1 1 1
1 351 1 1 24 GLU OE2 O -0.949 8.724 -2.070 1.00 . A A . 24 GLU OE2 1 1
1 352 1 1 25 MVA C C -6.023 3.924 1.891 1.00 . A A . 25 MVA C 1 1
1 353 1 1 25 MVA CA C -4.605 3.424 1.628 1.00 . A A . 25 MVA CA 1 1
1 354 1 1 25 MVA CB C -4.290 2.188 2.525 1.00 . A A . 25 MVA CB 1 1
1 355 1 1 25 MVA CG1 C -4.012 2.566 3.970 1.00 . A A . 25 MVA CG1 1 1
1 356 1 1 25 MVA CG2 C -5.427 1.180 2.450 1.00 . A A . 25 MVA CG2 1 1
1 357 1 1 25 MVA CN C -3.682 5.518 2.796 1.00 . A A . 25 MVA CN 1 1
1 358 1 1 25 MVA HA H -4.599 3.062 0.608 1.00 . A A . 25 MVA HA 1 1
1 359 1 1 25 MVA HB H -3.404 1.712 2.134 1.00 . A A . 25 MVA HB 1 1
1 360 1 1 25 MVA HG11 H -3.094 3.134 4.020 1.00 . A A . 25 MVA HG11 1 1
1 361 1 1 25 MVA HG12 H -3.915 1.670 4.563 1.00 . A A . 25 MVA HG12 1 1
1 362 1 1 25 MVA HG13 H -4.826 3.164 4.349 1.00 . A A . 25 MVA HG13 1 1
1 363 1 1 25 MVA HG21 H -6.348 1.652 2.763 1.00 . A A . 25 MVA HG21 1 1
1 364 1 1 25 MVA HG22 H -5.211 0.346 3.101 1.00 . A A . 25 MVA HG22 1 1
1 365 1 1 25 MVA HG23 H -5.531 0.828 1.435 1.00 . A A . 25 MVA HG23 1 1
1 366 1 1 25 MVA HN1 H -4.662 5.482 3.250 1.00 . A A . 25 MVA HN1 1 1
1 367 1 1 25 MVA HN2 H -3.524 6.493 2.359 1.00 . A A . 25 MVA HN2 1 1
1 368 1 1 25 MVA HN3 H -2.931 5.332 3.547 1.00 . A A . 25 MVA HN3 1 1
1 369 1 1 25 MVA N N -3.590 4.485 1.740 1.00 . A A . 25 MVA N 1 1
1 370 1 1 25 MVA O O -6.381 4.348 2.994 1.00 . A A . 25 MVA O 1 1
1 371 1 1 26 HIS C C -9.140 3.129 1.008 1.00 . A A . 26 HIS C 1 1
1 372 1 1 26 HIS CA C -8.202 4.317 0.903 1.00 . A A . 26 HIS CA 1 1
1 373 1 1 26 HIS CB C -8.551 5.140 -0.339 1.00 . A A . 26 HIS CB 1 1
1 374 1 1 26 HIS CD2 C -6.514 6.660 -0.871 1.00 . A A . 26 HIS CD2 1 1
1 375 1 1 26 HIS CE1 C -7.427 8.591 -0.393 1.00 . A A . 26 HIS CE1 1 1
1 376 1 1 26 HIS CG C -7.784 6.422 -0.464 1.00 . A A . 26 HIS CG 1 1
1 377 1 1 26 HIS H H -6.490 3.466 0.008 1.00 . A A . 26 HIS H 1 1
1 378 1 1 26 HIS HA H -8.312 4.933 1.780 1.00 . A A . 26 HIS HA 1 1
1 379 1 1 26 HIS HB2 H -8.350 4.548 -1.216 1.00 . A A . 26 HIS HB2 1 1
1 380 1 1 26 HIS HB3 H -9.602 5.382 -0.313 1.00 . A A . 26 HIS HB3 1 1
1 381 1 1 26 HIS HD1 H -9.241 7.815 0.157 1.00 . A A . 26 HIS HD1 1 1
1 382 1 1 26 HIS HD2 H -5.788 5.918 -1.176 1.00 . A A . 26 HIS HD2 1 1
1 383 1 1 26 HIS HE1 H -7.574 9.651 -0.251 1.00 . A A . 26 HIS HE1 1 1
1 384 1 1 26 HIS HE2 H -5.445 8.466 -0.893 1.00 . A A . 26 HIS HE2 1 1
1 385 1 1 26 HIS N N -6.829 3.860 0.845 1.00 . A A . 26 HIS N 1 1
1 386 1 1 26 HIS ND1 N -8.327 7.653 -0.172 1.00 . A A . 26 HIS ND1 1 1
1 387 1 1 26 HIS NE2 N -6.317 8.017 -0.817 1.00 . A A . 26 HIS NE2 1 1
1 388 1 1 26 HIS O O -9.080 2.210 0.195 1.00 . A A . 26 HIS O 1 1
1 389 1 1 27 CYS C C -12.367 2.655 2.077 1.00 . A A . 27 CYS C 1 1
1 390 1 1 27 CYS CA C -10.960 2.093 2.213 1.00 . A A . 27 CYS CA 1 1
1 391 1 1 27 CYS CB C -10.780 1.452 3.587 1.00 . A A . 27 CYS CB 1 1
1 392 1 1 27 CYS H H -9.962 3.896 2.648 1.00 . A A . 27 CYS H 1 1
1 393 1 1 27 CYS HA H -10.802 1.345 1.450 1.00 . A A . 27 CYS HA 1 1
1 394 1 1 27 CYS HB2 H -10.892 2.213 4.345 1.00 . A A . 27 CYS HB2 1 1
1 395 1 1 27 CYS HB3 H -11.542 0.701 3.724 1.00 . A A . 27 CYS HB3 1 1
1 396 1 1 27 CYS N N -9.988 3.147 2.016 1.00 . A A . 27 CYS N 1 1
1 397 1 1 27 CYS O O -13.023 2.978 3.068 1.00 . A A . 27 CYS O 1 1
1 398 1 1 27 CYS SG S -9.157 0.657 3.835 1.00 . A A . 27 CYS SG 1 1
1 399 1 1 28 NH2 HN1 H -12.250 2.511 0.101 1.00 . A A . 28 NH2 HN1 1 1
1 400 1 1 28 NH2 HN2 H -13.723 3.159 0.727 1.00 . A A . 28 NH2 HN2 1 1
1 401 1 1 28 NH2 N N -12.827 2.789 0.846 1.00 . A A . 28 NH2 N 1 1
2 402 1 1 1 ASN C C 8.475 -9.046 -1.425 1.00 . A A . 1 ASN C 1 1
2 403 1 1 1 ASN CA C 8.199 -10.542 -1.425 1.00 . A A . 1 ASN CA 1 1
2 404 1 1 1 ASN CB C 7.433 -10.934 -0.155 1.00 . A A . 1 ASN CB 1 1
2 405 1 1 1 ASN CG C 6.096 -10.225 -0.033 1.00 . A A . 1 ASN CG 1 1
2 406 1 1 1 ASN H1 H 9.972 -11.049 -2.385 1.00 . A A . 1 ASN H1 1 1
2 407 1 1 1 ASN H2 H 9.292 -12.311 -1.486 1.00 . A A . 1 ASN H2 1 1
2 408 1 1 1 ASN H3 H 10.081 -11.042 -0.697 1.00 . A A . 1 ASN H3 1 1
2 409 1 1 1 ASN HA H 7.603 -10.789 -2.292 1.00 . A A . 1 ASN HA 1 1
2 410 1 1 1 ASN HB2 H 7.253 -11.997 -0.164 1.00 . A A . 1 ASN HB2 1 1
2 411 1 1 1 ASN HB3 H 8.032 -10.682 0.708 1.00 . A A . 1 ASN HB3 1 1
2 412 1 1 1 ASN HD21 H 5.195 -11.690 -1.030 1.00 . A A . 1 ASN HD21 1 1
2 413 1 1 1 ASN HD22 H 4.175 -10.393 -0.509 1.00 . A A . 1 ASN HD22 1 1
2 414 1 1 1 ASN N N 9.473 -11.289 -1.505 1.00 . A A . 1 ASN N 1 1
2 415 1 1 1 ASN ND2 N 5.051 -10.827 -0.580 1.00 . A A . 1 ASN ND2 1 1
2 416 1 1 1 ASN O O 9.309 -8.563 -0.661 1.00 . A A . 1 ASN O 1 1
2 417 1 1 1 ASN OD1 O 6.002 -9.148 0.554 1.00 . A A . 1 ASN OD1 1 1
2 418 1 1 2 ASP C C 7.102 -6.148 -1.387 1.00 . A A . 2 ASP C 1 1
2 419 1 1 2 ASP CA C 7.983 -6.877 -2.393 1.00 . A A . 2 ASP CA 1 1
2 420 1 1 2 ASP CB C 7.670 -6.389 -3.808 1.00 . A A . 2 ASP CB 1 1
2 421 1 1 2 ASP CG C 7.971 -4.917 -3.989 1.00 . A A . 2 ASP CG 1 1
2 422 1 1 2 ASP H H 7.141 -8.755 -2.879 1.00 . A A . 2 ASP H 1 1
2 423 1 1 2 ASP HA H 9.016 -6.664 -2.168 1.00 . A A . 2 ASP HA 1 1
2 424 1 1 2 ASP HB2 H 8.263 -6.948 -4.516 1.00 . A A . 2 ASP HB2 1 1
2 425 1 1 2 ASP HB3 H 6.623 -6.550 -4.013 1.00 . A A . 2 ASP HB3 1 1
2 426 1 1 2 ASP N N 7.791 -8.317 -2.292 1.00 . A A . 2 ASP N 1 1
2 427 1 1 2 ASP O O 5.994 -6.598 -1.094 1.00 . A A . 2 ASP O 1 1
2 428 1 1 2 ASP OD1 O 7.023 -4.109 -3.972 1.00 . A A . 2 ASP OD1 1 1
2 429 1 1 2 ASP OD2 O 9.155 -4.560 -4.152 1.00 . A A . 2 ASP OD2 1 1
2 430 1 1 3 ABA C C 5.483 -3.880 -0.400 1.00 . A A . 3 AIB C 1 1
2 431 1 1 3 ABA CA C 6.886 -4.213 0.123 1.00 . A A . 3 AIB CA 1 1
2 432 1 1 3 ABA H H 8.493 -4.729 -1.162 1.00 . A A . 3 AIB H 1 1
2 433 1 1 3 ABA N N 7.606 -5.026 -0.869 1.00 . A A . 3 AIB N 1 1
2 434 1 1 3 ABA O O 4.484 -4.023 0.313 1.00 . A A . 3 AIB O 1 1
2 435 1 1 4 CYS C C 3.222 -4.248 -2.420 1.00 . A A . 4 CYS C 1 1
2 436 1 1 4 CYS CA C 4.156 -3.058 -2.262 1.00 . A A . 4 CYS CA 1 1
2 437 1 1 4 CYS CB C 4.402 -2.404 -3.617 1.00 . A A . 4 CYS CB 1 1
2 438 1 1 4 CYS H H 6.235 -3.426 -2.199 1.00 . A A . 4 CYS H 1 1
2 439 1 1 4 CYS HA H 3.691 -2.339 -1.607 1.00 . A A . 4 CYS HA 1 1
2 440 1 1 4 CYS HB2 H 4.929 -3.095 -4.252 1.00 . A A . 4 CYS HB2 1 1
2 441 1 1 4 CYS HB3 H 3.453 -2.160 -4.068 1.00 . A A . 4 CYS HB3 1 1
2 442 1 1 4 CYS N N 5.415 -3.459 -1.658 1.00 . A A . 4 CYS N 1 1
2 443 1 1 4 CYS O O 2.002 -4.107 -2.331 1.00 . A A . 4 CYS O 1 1
2 444 1 1 4 CYS SG S 5.384 -0.873 -3.529 1.00 . A A . 4 CYS SG 1 1
2 445 1 1 5 LYS C C 2.413 -7.012 -1.430 1.00 . A A . 5 LYS C 1 1
2 446 1 1 5 LYS CA C 3.000 -6.630 -2.780 1.00 . A A . 5 LYS CA 1 1
2 447 1 1 5 LYS CB C 3.839 -7.784 -3.339 1.00 . A A . 5 LYS CB 1 1
2 448 1 1 5 LYS CD C 3.874 -10.142 -4.228 1.00 . A A . 5 LYS CD 1 1
2 449 1 1 5 LYS CE C 3.024 -11.342 -4.625 1.00 . A A . 5 LYS CE 1 1
2 450 1 1 5 LYS CG C 3.019 -9.025 -3.656 1.00 . A A . 5 LYS CG 1 1
2 451 1 1 5 LYS H H 4.772 -5.476 -2.718 1.00 . A A . 5 LYS H 1 1
2 452 1 1 5 LYS HA H 2.191 -6.416 -3.461 1.00 . A A . 5 LYS HA 1 1
2 453 1 1 5 LYS HB2 H 4.323 -7.454 -4.246 1.00 . A A . 5 LYS HB2 1 1
2 454 1 1 5 LYS HB3 H 4.593 -8.050 -2.613 1.00 . A A . 5 LYS HB3 1 1
2 455 1 1 5 LYS HD2 H 4.393 -9.774 -5.101 1.00 . A A . 5 LYS HD2 1 1
2 456 1 1 5 LYS HD3 H 4.593 -10.451 -3.482 1.00 . A A . 5 LYS HD3 1 1
2 457 1 1 5 LYS HE2 H 3.672 -12.110 -5.023 1.00 . A A . 5 LYS HE2 1 1
2 458 1 1 5 LYS HE3 H 2.521 -11.717 -3.746 1.00 . A A . 5 LYS HE3 1 1
2 459 1 1 5 LYS HG2 H 2.549 -9.377 -2.748 1.00 . A A . 5 LYS HG2 1 1
2 460 1 1 5 LYS HG3 H 2.257 -8.765 -4.377 1.00 . A A . 5 LYS HG3 1 1
2 461 1 1 5 LYS HZ1 H 1.384 -10.232 -5.297 1.00 . A A . 5 LYS HZ1 1 1
2 462 1 1 5 LYS HZ2 H 1.425 -11.815 -5.883 1.00 . A A . 5 LYS HZ2 1 1
2 463 1 1 5 LYS HZ3 H 2.472 -10.653 -6.520 1.00 . A A . 5 LYS HZ3 1 1
2 464 1 1 5 LYS N N 3.795 -5.422 -2.646 1.00 . A A . 5 LYS N 1 1
2 465 1 1 5 LYS NZ N 2.006 -10.986 -5.652 1.00 . A A . 5 LYS NZ 1 1
2 466 1 1 5 LYS O O 1.239 -7.369 -1.334 1.00 . A A . 5 LYS O 1 1
2 467 1 1 6 ABA C C 1.630 -6.287 1.329 1.00 . A A . 6 AIB C 1 1
2 468 1 1 6 ABA CA C 2.816 -7.189 0.983 1.00 . A A . 6 AIB CA 1 1
2 469 1 1 6 ABA H H 4.174 -6.646 -0.554 1.00 . A A . 6 AIB H 1 1
2 470 1 1 6 ABA N N 3.242 -6.914 -0.391 1.00 . A A . 6 AIB N 1 1
2 471 1 1 6 ABA O O 0.595 -6.757 1.818 1.00 . A A . 6 AIB O 1 1
2 472 1 1 7 LEU C C -0.514 -4.320 0.540 1.00 . A A . 7 LEU C 1 1
2 473 1 1 7 LEU CA C 0.744 -4.015 1.336 1.00 . A A . 7 LEU CA 1 1
2 474 1 1 7 LEU CB C 1.212 -2.597 1.003 1.00 . A A . 7 LEU CB 1 1
2 475 1 1 7 LEU CD1 C 2.811 -0.703 1.316 1.00 . A A . 7 LEU CD1 1 1
2 476 1 1 7 LEU CD2 C 2.063 -2.023 3.293 1.00 . A A . 7 LEU CD2 1 1
2 477 1 1 7 LEU CG C 2.404 -2.080 1.811 1.00 . A A . 7 LEU CG 1 1
2 478 1 1 7 LEU H H 2.630 -4.688 0.643 1.00 . A A . 7 LEU H 1 1
2 479 1 1 7 LEU HA H 0.512 -4.074 2.387 1.00 . A A . 7 LEU HA 1 1
2 480 1 1 7 LEU HB2 H 1.475 -2.567 -0.042 1.00 . A A . 7 LEU HB2 1 1
2 481 1 1 7 LEU HB3 H 0.382 -1.924 1.163 1.00 . A A . 7 LEU HB3 1 1
2 482 1 1 7 LEU HD11 H 3.646 -0.345 1.898 1.00 . A A . 7 LEU HD11 1 1
2 483 1 1 7 LEU HD12 H 1.978 -0.023 1.423 1.00 . A A . 7 LEU HD12 1 1
2 484 1 1 7 LEU HD13 H 3.096 -0.763 0.277 1.00 . A A . 7 LEU HD13 1 1
2 485 1 1 7 LEU HD21 H 1.221 -1.366 3.441 1.00 . A A . 7 LEU HD21 1 1
2 486 1 1 7 LEU HD22 H 2.913 -1.648 3.843 1.00 . A A . 7 LEU HD22 1 1
2 487 1 1 7 LEU HD23 H 1.816 -3.014 3.646 1.00 . A A . 7 LEU HD23 1 1
2 488 1 1 7 LEU HG H 3.242 -2.750 1.680 1.00 . A A . 7 LEU HG 1 1
2 489 1 1 7 LEU N N 1.787 -4.993 1.052 1.00 . A A . 7 LEU N 1 1
2 490 1 1 7 LEU O O -1.610 -4.326 1.088 1.00 . A A . 7 LEU O 1 1
2 491 1 1 8 LYS C C -2.268 -6.042 -1.166 1.00 . A A . 8 LYS C 1 1
2 492 1 1 8 LYS CA C -1.480 -4.820 -1.625 1.00 . A A . 8 LYS CA 1 1
2 493 1 1 8 LYS CB C -1.005 -4.997 -3.068 1.00 . A A . 8 LYS CB 1 1
2 494 1 1 8 LYS CD C -1.597 -5.129 -5.502 1.00 . A A . 8 LYS CD 1 1
2 495 1 1 8 LYS CE C -2.717 -5.064 -6.528 1.00 . A A . 8 LYS CE 1 1
2 496 1 1 8 LYS CG C -2.133 -5.021 -4.085 1.00 . A A . 8 LYS CG 1 1
2 497 1 1 8 LYS H H 0.564 -4.611 -1.116 1.00 . A A . 8 LYS H 1 1
2 498 1 1 8 LYS HA H -2.123 -3.955 -1.571 1.00 . A A . 8 LYS HA 1 1
2 499 1 1 8 LYS HB2 H -0.341 -4.184 -3.319 1.00 . A A . 8 LYS HB2 1 1
2 500 1 1 8 LYS HB3 H -0.463 -5.929 -3.142 1.00 . A A . 8 LYS HB3 1 1
2 501 1 1 8 LYS HD2 H -0.911 -4.315 -5.679 1.00 . A A . 8 LYS HD2 1 1
2 502 1 1 8 LYS HD3 H -1.076 -6.070 -5.608 1.00 . A A . 8 LYS HD3 1 1
2 503 1 1 8 LYS HE2 H -2.291 -5.167 -7.515 1.00 . A A . 8 LYS HE2 1 1
2 504 1 1 8 LYS HE3 H -3.400 -5.880 -6.347 1.00 . A A . 8 LYS HE3 1 1
2 505 1 1 8 LYS HG2 H -2.767 -5.871 -3.883 1.00 . A A . 8 LYS HG2 1 1
2 506 1 1 8 LYS HG3 H -2.707 -4.111 -3.994 1.00 . A A . 8 LYS HG3 1 1
2 507 1 1 8 LYS HZ1 H -3.919 -3.679 -5.529 1.00 . A A . 8 LYS HZ1 1 1
2 508 1 1 8 LYS HZ2 H -4.201 -3.754 -7.192 1.00 . A A . 8 LYS HZ2 1 1
2 509 1 1 8 LYS HZ3 H -2.820 -2.980 -6.607 1.00 . A A . 8 LYS HZ3 1 1
2 510 1 1 8 LYS N N -0.347 -4.581 -0.746 1.00 . A A . 8 LYS N 1 1
2 511 1 1 8 LYS NZ N -3.466 -3.780 -6.458 1.00 . A A . 8 LYS NZ 1 1
2 512 1 1 8 LYS O O -3.490 -5.995 -1.076 1.00 . A A . 8 LYS O 1 1
2 513 1 1 9 ABA C C -2.889 -8.073 0.954 1.00 . A A . 9 AIB C 1 1
2 514 1 1 9 ABA CA C -2.155 -8.360 -0.360 1.00 . A A . 9 AIB CA 1 1
2 515 1 1 9 ABA H H -0.572 -7.084 -0.967 1.00 . A A . 9 AIB H 1 1
2 516 1 1 9 ABA N N -1.548 -7.120 -0.857 1.00 . A A . 9 AIB N 1 1
2 517 1 1 9 ABA O O -3.985 -8.581 1.199 1.00 . A A . 9 AIB O 1 1
2 518 1 1 10 ARG C C -4.092 -6.094 2.971 1.00 . A A . 10 ARG C 1 1
2 519 1 1 10 ARG CA C -2.813 -6.916 3.100 1.00 . A A . 10 ARG CA 1 1
2 520 1 1 10 ARG CB C -1.763 -6.155 3.914 1.00 . A A . 10 ARG CB 1 1
2 521 1 1 10 ARG CD C -1.069 -5.173 6.114 1.00 . A A . 10 ARG CD 1 1
2 522 1 1 10 ARG CG C -2.216 -5.762 5.308 1.00 . A A . 10 ARG CG 1 1
2 523 1 1 10 ARG CZ C 1.217 -5.834 6.799 1.00 . A A . 10 ARG CZ 1 1
2 524 1 1 10 ARG H H -1.407 -6.854 1.521 1.00 . A A . 10 ARG H 1 1
2 525 1 1 10 ARG HA H -3.045 -7.839 3.604 1.00 . A A . 10 ARG HA 1 1
2 526 1 1 10 ARG HB2 H -0.883 -6.772 4.009 1.00 . A A . 10 ARG HB2 1 1
2 527 1 1 10 ARG HB3 H -1.498 -5.252 3.380 1.00 . A A . 10 ARG HB3 1 1
2 528 1 1 10 ARG HD2 H -0.683 -4.310 5.591 1.00 . A A . 10 ARG HD2 1 1
2 529 1 1 10 ARG HD3 H -1.444 -4.868 7.080 1.00 . A A . 10 ARG HD3 1 1
2 530 1 1 10 ARG HE H -0.164 -7.073 6.057 1.00 . A A . 10 ARG HE 1 1
2 531 1 1 10 ARG HG2 H -3.001 -5.025 5.223 1.00 . A A . 10 ARG HG2 1 1
2 532 1 1 10 ARG HG3 H -2.593 -6.637 5.815 1.00 . A A . 10 ARG HG3 1 1
2 533 1 1 10 ARG HH11 H 2.417 -4.370 7.517 1.00 . A A . 10 ARG HH11 1 1
2 534 1 1 10 ARG HH12 H 0.825 -3.861 7.045 1.00 . A A . 10 ARG HH12 1 1
2 535 1 1 10 ARG HH21 H 1.916 -7.731 6.682 1.00 . A A . 10 ARG HH21 1 1
2 536 1 1 10 ARG HH22 H 3.034 -6.563 7.317 1.00 . A A . 10 ARG HH22 1 1
2 537 1 1 10 ARG N N -2.266 -7.252 1.792 1.00 . A A . 10 ARG N 1 1
2 538 1 1 10 ARG NE N 0.017 -6.138 6.305 1.00 . A A . 10 ARG NE 1 1
2 539 1 1 10 ARG NH1 N 1.510 -4.589 7.145 1.00 . A A . 10 ARG NH1 1 1
2 540 1 1 10 ARG NH2 N 2.129 -6.786 6.943 1.00 . A A . 10 ARG NH2 1 1
2 541 1 1 10 ARG O O -5.065 -6.317 3.689 1.00 . A A . 10 ARG O 1 1
2 542 1 1 11 TYR C C -6.068 -4.696 0.659 1.00 . A A . 11 TYR C 1 1
2 543 1 1 11 TYR CA C -5.209 -4.257 1.842 1.00 . A A . 11 TYR CA 1 1
2 544 1 1 11 TYR CB C -4.688 -2.835 1.625 1.00 . A A . 11 TYR CB 1 1
2 545 1 1 11 TYR CD1 C -4.721 -1.798 3.923 1.00 . A A . 11 TYR CD1 1 1
2 546 1 1 11 TYR CD2 C -2.609 -2.168 2.890 1.00 . A A . 11 TYR CD2 1 1
2 547 1 1 11 TYR CE1 C -4.091 -1.265 5.031 1.00 . A A . 11 TYR CE1 1 1
2 548 1 1 11 TYR CE2 C -1.969 -1.639 3.994 1.00 . A A . 11 TYR CE2 1 1
2 549 1 1 11 TYR CG C -3.992 -2.257 2.835 1.00 . A A . 11 TYR CG 1 1
2 550 1 1 11 TYR CZ C -2.714 -1.186 5.062 1.00 . A A . 11 TYR CZ 1 1
2 551 1 1 11 TYR H H -3.307 -5.082 1.444 1.00 . A A . 11 TYR H 1 1
2 552 1 1 11 TYR HA H -5.810 -4.276 2.738 1.00 . A A . 11 TYR HA 1 1
2 553 1 1 11 TYR HB2 H -3.980 -2.839 0.809 1.00 . A A . 11 TYR HB2 1 1
2 554 1 1 11 TYR HB3 H -5.512 -2.191 1.374 1.00 . A A . 11 TYR HB3 1 1
2 555 1 1 11 TYR HD1 H -5.799 -1.861 3.896 1.00 . A A . 11 TYR HD1 1 1
2 556 1 1 11 TYR HD2 H -2.026 -2.524 2.051 1.00 . A A . 11 TYR HD2 1 1
2 557 1 1 11 TYR HE1 H -4.677 -0.913 5.865 1.00 . A A . 11 TYR HE1 1 1
2 558 1 1 11 TYR HE2 H -0.892 -1.582 4.015 1.00 . A A . 11 TYR HE2 1 1
2 559 1 1 11 TYR HH H -2.564 -0.913 6.965 1.00 . A A . 11 TYR HH 1 1
2 560 1 1 11 TYR N N -4.089 -5.162 2.034 1.00 . A A . 11 TYR N 1 1
2 561 1 1 11 TYR O O -6.425 -3.889 -0.194 1.00 . A A . 11 TYR O 1 1
2 562 1 1 11 TYR OH O -2.080 -0.658 6.167 1.00 . A A . 11 TYR OH 1 1
2 563 1 1 12 ABA C C -8.507 -5.811 -0.687 1.00 . A A . 12 AIB C 1 1
2 564 1 1 12 ABA CA C -7.210 -6.592 -0.438 1.00 . A A . 12 AIB CA 1 1
2 565 1 1 12 ABA H H -6.108 -6.552 1.380 1.00 . A A . 12 AIB H 1 1
2 566 1 1 12 ABA N N -6.412 -5.982 0.644 1.00 . A A . 12 AIB N 1 1
2 567 1 1 12 ABA O O -8.965 -5.701 -1.827 1.00 . A A . 12 AIB O 1 1
2 568 1 1 13 GLY C C -10.199 -3.075 0.157 1.00 . A A . 13 GLY C 1 1
2 569 1 1 13 GLY CA C -10.362 -4.580 0.227 1.00 . A A . 13 GLY CA 1 1
2 570 1 1 13 GLY H H -8.678 -5.359 1.251 1.00 . A A . 13 GLY H 1 1
2 571 1 1 13 GLY HA2 H -10.843 -4.920 -0.676 1.00 . A A . 13 GLY HA2 1 1
2 572 1 1 13 GLY HA3 H -10.991 -4.825 1.069 1.00 . A A . 13 GLY HA3 1 1
2 573 1 1 13 GLY N N -9.100 -5.279 0.370 1.00 . A A . 13 GLY N 1 1
2 574 1 1 13 GLY O O -11.178 -2.331 0.257 1.00 . A A . 13 GLY O 1 1
2 575 1 1 14 CYS C C -7.723 -0.879 -1.199 1.00 . A A . 14 CYS C 1 1
2 576 1 1 14 CYS CA C -8.690 -1.193 -0.064 1.00 . A A . 14 CYS CA 1 1
2 577 1 1 14 CYS CB C -8.093 -0.738 1.270 1.00 . A A . 14 CYS CB 1 1
2 578 1 1 14 CYS H H -8.229 -3.255 -0.141 1.00 . A A . 14 CYS H 1 1
2 579 1 1 14 CYS HA H -9.618 -0.671 -0.233 1.00 . A A . 14 CYS HA 1 1
2 580 1 1 14 CYS HB2 H -7.087 -1.108 1.346 1.00 . A A . 14 CYS HB2 1 1
2 581 1 1 14 CYS HB3 H -8.074 0.343 1.296 1.00 . A A . 14 CYS HB3 1 1
2 582 1 1 14 CYS N N -8.971 -2.617 -0.022 1.00 . A A . 14 CYS N 1 1
2 583 1 1 14 CYS O O -7.127 -1.779 -1.788 1.00 . A A . 14 CYS O 1 1
2 584 1 1 14 CYS SG S -9.005 -1.311 2.744 1.00 . A A . 14 CYS SG 1 1
2 585 1 1 15 GLU C C -5.373 1.343 -1.835 1.00 . A A . 15 GLU C 1 1
2 586 1 1 15 GLU CA C -6.636 0.831 -2.520 1.00 . A A . 15 GLU CA 1 1
2 587 1 1 15 GLU CB C -7.252 1.927 -3.391 1.00 . A A . 15 GLU CB 1 1
2 588 1 1 15 GLU CD C -8.104 0.387 -5.206 1.00 . A A . 15 GLU CD 1 1
2 589 1 1 15 GLU CG C -8.456 1.459 -4.193 1.00 . A A . 15 GLU CG 1 1
2 590 1 1 15 GLU H H -8.150 1.062 -1.065 1.00 . A A . 15 GLU H 1 1
2 591 1 1 15 GLU HA H -6.386 -0.016 -3.138 1.00 . A A . 15 GLU HA 1 1
2 592 1 1 15 GLU HB2 H -7.564 2.743 -2.756 1.00 . A A . 15 GLU HB2 1 1
2 593 1 1 15 GLU HB3 H -6.504 2.285 -4.081 1.00 . A A . 15 GLU HB3 1 1
2 594 1 1 15 GLU HG2 H -9.191 1.059 -3.511 1.00 . A A . 15 GLU HG2 1 1
2 595 1 1 15 GLU HG3 H -8.874 2.304 -4.716 1.00 . A A . 15 GLU HG3 1 1
2 596 1 1 15 GLU N N -7.590 0.393 -1.517 1.00 . A A . 15 GLU N 1 1
2 597 1 1 15 GLU O O -5.463 2.178 -0.932 1.00 . A A . 15 GLU O 1 1
2 598 1 1 15 GLU OE1 O -8.419 -0.793 -4.957 1.00 . A A . 15 GLU OE1 1 1
2 599 1 1 15 GLU OE2 O -7.497 0.716 -6.248 1.00 . A A . 15 GLU OE2 1 1
2 600 1 1 16 MVA C C -1.812 1.657 -2.534 1.00 . A A . 16 MVA C 1 1
2 601 1 1 16 MVA CA C -2.937 1.266 -1.560 1.00 . A A . 16 MVA CA 1 1
2 602 1 1 16 MVA CB C -2.415 0.191 -0.554 1.00 . A A . 16 MVA CB 1 1
2 603 1 1 16 MVA CG1 C -1.973 -1.095 -1.237 1.00 . A A . 16 MVA CG1 1 1
2 604 1 1 16 MVA CG2 C -1.276 0.760 0.279 1.00 . A A . 16 MVA CG2 1 1
2 605 1 1 16 MVA CN C -4.134 -0.065 -3.395 1.00 . A A . 16 MVA CN 1 1
2 606 1 1 16 MVA HA H -3.147 2.150 -0.973 1.00 . A A . 16 MVA HA 1 1
2 607 1 1 16 MVA HB H -3.222 -0.057 0.118 1.00 . A A . 16 MVA HB 1 1
2 608 1 1 16 MVA HG11 H -1.196 -0.871 -1.955 1.00 . A A . 16 MVA HG11 1 1
2 609 1 1 16 MVA HG12 H -2.815 -1.543 -1.742 1.00 . A A . 16 MVA HG12 1 1
2 610 1 1 16 MVA HG13 H -1.589 -1.781 -0.496 1.00 . A A . 16 MVA HG13 1 1
2 611 1 1 16 MVA HG21 H -1.631 1.612 0.839 1.00 . A A . 16 MVA HG21 1 1
2 612 1 1 16 MVA HG22 H -0.472 1.068 -0.374 1.00 . A A . 16 MVA HG22 1 1
2 613 1 1 16 MVA HG23 H -0.916 0.005 0.961 1.00 . A A . 16 MVA HG23 1 1
2 614 1 1 16 MVA HN1 H -4.541 -1.024 -3.111 1.00 . A A . 16 MVA HN1 1 1
2 615 1 1 16 MVA HN2 H -3.108 -0.189 -3.711 1.00 . A A . 16 MVA HN2 1 1
2 616 1 1 16 MVA HN3 H -4.712 0.345 -4.208 1.00 . A A . 16 MVA HN3 1 1
2 617 1 1 16 MVA N N -4.183 0.856 -2.238 1.00 . A A . 16 MVA N 1 1
2 618 1 1 16 MVA O O -1.345 0.867 -3.362 1.00 . A A . 16 MVA O 1 1
2 619 1 1 17 ARG C C 0.970 3.502 -2.363 1.00 . A A . 17 ARG C 1 1
2 620 1 1 17 ARG CA C -0.304 3.452 -3.198 1.00 . A A . 17 ARG CA 1 1
2 621 1 1 17 ARG CB C -0.702 4.851 -3.670 1.00 . A A . 17 ARG CB 1 1
2 622 1 1 17 ARG CD C -0.005 7.144 -4.387 1.00 . A A . 17 ARG CD 1 1
2 623 1 1 17 ARG CG C 0.460 5.729 -4.084 1.00 . A A . 17 ARG CG 1 1
2 624 1 1 17 ARG CZ C 0.952 9.399 -4.649 1.00 . A A . 17 ARG CZ 1 1
2 625 1 1 17 ARG H H -1.811 3.472 -1.736 1.00 . A A . 17 ARG H 1 1
2 626 1 1 17 ARG HA H -0.147 2.814 -4.053 1.00 . A A . 17 ARG HA 1 1
2 627 1 1 17 ARG HB2 H -1.365 4.752 -4.513 1.00 . A A . 17 ARG HB2 1 1
2 628 1 1 17 ARG HB3 H -1.229 5.344 -2.871 1.00 . A A . 17 ARG HB3 1 1
2 629 1 1 17 ARG HD2 H -0.471 7.156 -5.363 1.00 . A A . 17 ARG HD2 1 1
2 630 1 1 17 ARG HD3 H -0.730 7.439 -3.642 1.00 . A A . 17 ARG HD3 1 1
2 631 1 1 17 ARG HE H 1.998 7.761 -4.139 1.00 . A A . 17 ARG HE 1 1
2 632 1 1 17 ARG HG2 H 1.181 5.756 -3.281 1.00 . A A . 17 ARG HG2 1 1
2 633 1 1 17 ARG HG3 H 0.916 5.310 -4.969 1.00 . A A . 17 ARG HG3 1 1
2 634 1 1 17 ARG HH11 H -0.354 10.857 -5.181 1.00 . A A . 17 ARG HH11 1 1
2 635 1 1 17 ARG HH12 H -1.039 9.269 -5.025 1.00 . A A . 17 ARG HH12 1 1
2 636 1 1 17 ARG HH21 H 2.902 9.854 -4.340 1.00 . A A . 17 ARG HH21 1 1
2 637 1 1 17 ARG HH22 H 1.894 11.190 -4.792 1.00 . A A . 17 ARG HH22 1 1
2 638 1 1 17 ARG N N -1.384 2.899 -2.407 1.00 . A A . 17 ARG N 1 1
2 639 1 1 17 ARG NE N 1.097 8.104 -4.379 1.00 . A A . 17 ARG NE 1 1
2 640 1 1 17 ARG NH1 N -0.243 9.882 -4.978 1.00 . A A . 17 ARG NH1 1 1
2 641 1 1 17 ARG NH2 N 1.999 10.213 -4.589 1.00 . A A . 17 ARG NH2 1 1
2 642 1 1 17 ARG O O 1.035 4.205 -1.360 1.00 . A A . 17 ARG O 1 1
2 643 1 1 18 CYS C C 4.269 3.600 -2.475 1.00 . A A . 18 CYS C 1 1
2 644 1 1 18 CYS CA C 3.196 2.629 -1.986 1.00 . A A . 18 CYS CA 1 1
2 645 1 1 18 CYS CB C 3.721 1.195 -2.053 1.00 . A A . 18 CYS CB 1 1
2 646 1 1 18 CYS H H 1.890 2.243 -3.605 1.00 . A A . 18 CYS H 1 1
2 647 1 1 18 CYS HA H 2.958 2.866 -0.960 1.00 . A A . 18 CYS HA 1 1
2 648 1 1 18 CYS HB2 H 4.662 1.137 -1.526 1.00 . A A . 18 CYS HB2 1 1
2 649 1 1 18 CYS HB3 H 3.007 0.536 -1.580 1.00 . A A . 18 CYS HB3 1 1
2 650 1 1 18 CYS N N 1.972 2.741 -2.764 1.00 . A A . 18 CYS N 1 1
2 651 1 1 18 CYS O O 4.652 3.582 -3.647 1.00 . A A . 18 CYS O 1 1
2 652 1 1 18 CYS SG S 3.997 0.589 -3.752 1.00 . A A . 18 CYS SG 1 1
2 653 1 1 19 ASP C C 6.914 5.277 -0.805 1.00 . A A . 19 ASP C 1 1
2 654 1 1 19 ASP CA C 5.840 5.362 -1.882 1.00 . A A . 19 ASP CA 1 1
2 655 1 1 19 ASP CB C 5.336 6.805 -2.004 1.00 . A A . 19 ASP CB 1 1
2 656 1 1 19 ASP CG C 4.557 7.059 -3.281 1.00 . A A . 19 ASP CG 1 1
2 657 1 1 19 ASP H H 4.368 4.449 -0.669 1.00 . A A . 19 ASP H 1 1
2 658 1 1 19 ASP HA H 6.270 5.058 -2.824 1.00 . A A . 19 ASP HA 1 1
2 659 1 1 19 ASP HB2 H 4.694 7.023 -1.166 1.00 . A A . 19 ASP HB2 1 1
2 660 1 1 19 ASP HB3 H 6.184 7.475 -1.983 1.00 . A A . 19 ASP HB3 1 1
2 661 1 1 19 ASP N N 4.750 4.444 -1.574 1.00 . A A . 19 ASP N 1 1
2 662 1 1 19 ASP O O 6.925 6.068 0.144 1.00 . A A . 19 ASP O 1 1
2 663 1 1 19 ASP OD1 O 3.310 7.012 -3.249 1.00 . A A . 19 ASP OD1 1 1
2 664 1 1 19 ASP OD2 O 5.188 7.318 -4.329 1.00 . A A . 19 ASP OD2 1 1
2 665 1 1 20 DPR C C 8.464 3.880 1.444 1.00 . A A . 20 DPR C 1 1
2 666 1 1 20 DPR CA C 8.935 4.123 0.011 1.00 . A A . 20 DPR CA 1 1
2 667 1 1 20 DPR CB C 9.686 2.904 -0.527 1.00 . A A . 20 DPR CB 1 1
2 668 1 1 20 DPR CD C 7.807 3.241 -1.951 1.00 . A A . 20 DPR CD 1 1
2 669 1 1 20 DPR CG C 8.690 2.179 -1.361 1.00 . A A . 20 DPR CG 1 1
2 670 1 1 20 DPR HA H 9.591 4.977 -0.010 1.00 . A A . 20 DPR HA 1 1
2 671 1 1 20 DPR HB2 H 10.531 3.231 -1.115 1.00 . A A . 20 DPR HB2 1 1
2 672 1 1 20 DPR HB3 H 10.026 2.300 0.299 1.00 . A A . 20 DPR HB3 1 1
2 673 1 1 20 DPR HD2 H 8.225 3.610 -2.876 1.00 . A A . 20 DPR HD2 1 1
2 674 1 1 20 DPR HD3 H 6.811 2.859 -2.108 1.00 . A A . 20 DPR HD3 1 1
2 675 1 1 20 DPR HG2 H 9.195 1.631 -2.141 1.00 . A A . 20 DPR HG2 1 1
2 676 1 1 20 DPR HG3 H 8.110 1.509 -0.744 1.00 . A A . 20 DPR HG3 1 1
2 677 1 1 20 DPR N N 7.813 4.287 -0.918 1.00 . A A . 20 DPR N 1 1
2 678 1 1 20 DPR O O 7.821 2.870 1.737 1.00 . A A . 20 DPR O 1 1
2 679 1 1 21 PRO C C 6.927 5.011 4.023 1.00 . A A . 21 PRO C 1 1
2 680 1 1 21 PRO CA C 8.403 4.709 3.762 1.00 . A A . 21 PRO CA 1 1
2 681 1 1 21 PRO CB C 9.283 5.762 4.431 1.00 . A A . 21 PRO CB 1 1
2 682 1 1 21 PRO CD C 9.544 6.042 2.074 1.00 . A A . 21 PRO CD 1 1
2 683 1 1 21 PRO CG C 9.492 6.791 3.378 1.00 . A A . 21 PRO CG 1 1
2 684 1 1 21 PRO HA H 8.642 3.736 4.161 1.00 . A A . 21 PRO HA 1 1
2 685 1 1 21 PRO HB2 H 8.772 6.171 5.290 1.00 . A A . 21 PRO HB2 1 1
2 686 1 1 21 PRO HB3 H 10.216 5.316 4.735 1.00 . A A . 21 PRO HB3 1 1
2 687 1 1 21 PRO HD2 H 9.079 6.620 1.290 1.00 . A A . 21 PRO HD2 1 1
2 688 1 1 21 PRO HD3 H 10.566 5.805 1.814 1.00 . A A . 21 PRO HD3 1 1
2 689 1 1 21 PRO HG2 H 8.666 7.484 3.378 1.00 . A A . 21 PRO HG2 1 1
2 690 1 1 21 PRO HG3 H 10.421 7.311 3.549 1.00 . A A . 21 PRO HG3 1 1
2 691 1 1 21 PRO N N 8.776 4.814 2.352 1.00 . A A . 21 PRO N 1 1
2 692 1 1 21 PRO O O 6.427 4.774 5.124 1.00 . A A . 21 PRO O 1 1
2 693 1 1 22 ARG C C 3.937 5.173 2.201 1.00 . A A . 22 ARG C 1 1
2 694 1 1 22 ARG CA C 4.826 5.893 3.204 1.00 . A A . 22 ARG CA 1 1
2 695 1 1 22 ARG CB C 4.635 7.409 3.076 1.00 . A A . 22 ARG CB 1 1
2 696 1 1 22 ARG CD C 4.700 9.449 1.603 1.00 . A A . 22 ARG CD 1 1
2 697 1 1 22 ARG CG C 5.031 7.968 1.719 1.00 . A A . 22 ARG CG 1 1
2 698 1 1 22 ARG CZ C 2.711 10.860 2.002 1.00 . A A . 22 ARG CZ 1 1
2 699 1 1 22 ARG H H 6.652 5.665 2.144 1.00 . A A . 22 ARG H 1 1
2 700 1 1 22 ARG HA H 4.536 5.590 4.197 1.00 . A A . 22 ARG HA 1 1
2 701 1 1 22 ARG HB2 H 3.596 7.645 3.247 1.00 . A A . 22 ARG HB2 1 1
2 702 1 1 22 ARG HB3 H 5.235 7.898 3.829 1.00 . A A . 22 ARG HB3 1 1
2 703 1 1 22 ARG HD2 H 5.161 9.973 2.427 1.00 . A A . 22 ARG HD2 1 1
2 704 1 1 22 ARG HD3 H 5.105 9.823 0.673 1.00 . A A . 22 ARG HD3 1 1
2 705 1 1 22 ARG HE H 2.664 8.966 1.347 1.00 . A A . 22 ARG HE 1 1
2 706 1 1 22 ARG HG2 H 6.094 7.835 1.584 1.00 . A A . 22 ARG HG2 1 1
2 707 1 1 22 ARG HG3 H 4.499 7.426 0.952 1.00 . A A . 22 ARG HG3 1 1
2 708 1 1 22 ARG HH11 H 4.480 11.783 2.367 1.00 . A A . 22 ARG HH11 1 1
2 709 1 1 22 ARG HH12 H 3.068 12.753 2.638 1.00 . A A . 22 ARG HH12 1 1
2 710 1 1 22 ARG HH21 H 0.977 11.869 2.284 1.00 . A A . 22 ARG HH21 1 1
2 711 1 1 22 ARG HH22 H 0.798 10.227 1.723 1.00 . A A . 22 ARG HH22 1 1
2 712 1 1 22 ARG N N 6.226 5.532 3.023 1.00 . A A . 22 ARG N 1 1
2 713 1 1 22 ARG NE N 3.259 9.702 1.630 1.00 . A A . 22 ARG NE 1 1
2 714 1 1 22 ARG NH1 N 3.482 11.878 2.368 1.00 . A A . 22 ARG NH1 1 1
2 715 1 1 22 ARG NH2 N 1.393 11.000 2.004 1.00 . A A . 22 ARG NH2 1 1
2 716 1 1 22 ARG O O 4.420 4.622 1.213 1.00 . A A . 22 ARG O 1 1
2 717 1 1 23 TYR C C 0.303 5.216 1.781 1.00 . A A . 23 TYR C 1 1
2 718 1 1 23 TYR CA C 1.671 4.585 1.568 1.00 . A A . 23 TYR CA 1 1
2 719 1 1 23 TYR CB C 1.589 3.062 1.734 1.00 . A A . 23 TYR CB 1 1
2 720 1 1 23 TYR CD1 C -0.165 2.413 3.428 1.00 . A A . 23 TYR CD1 1 1
2 721 1 1 23 TYR CD2 C 2.120 2.360 4.098 1.00 . A A . 23 TYR CD2 1 1
2 722 1 1 23 TYR CE1 C -0.548 2.002 4.687 1.00 . A A . 23 TYR CE1 1 1
2 723 1 1 23 TYR CE2 C 1.746 1.946 5.358 1.00 . A A . 23 TYR CE2 1 1
2 724 1 1 23 TYR CG C 1.173 2.599 3.112 1.00 . A A . 23 TYR CG 1 1
2 725 1 1 23 TYR CZ C 0.405 1.728 5.634 1.00 . A A . 23 TYR CZ 1 1
2 726 1 1 23 TYR H H 2.330 5.550 3.321 1.00 . A A . 23 TYR H 1 1
2 727 1 1 23 TYR HA H 1.994 4.804 0.561 1.00 . A A . 23 TYR HA 1 1
2 728 1 1 23 TYR HB2 H 0.871 2.673 1.030 1.00 . A A . 23 TYR HB2 1 1
2 729 1 1 23 TYR HB3 H 2.557 2.637 1.521 1.00 . A A . 23 TYR HB3 1 1
2 730 1 1 23 TYR HD1 H -0.913 2.595 2.669 1.00 . A A . 23 TYR HD1 1 1
2 731 1 1 23 TYR HD2 H 3.165 2.497 3.866 1.00 . A A . 23 TYR HD2 1 1
2 732 1 1 23 TYR HE1 H -1.593 1.863 4.915 1.00 . A A . 23 TYR HE1 1 1
2 733 1 1 23 TYR HE2 H 2.497 1.766 6.111 1.00 . A A . 23 TYR HE2 1 1
2 734 1 1 23 TYR HH H 0.576 1.826 7.569 1.00 . A A . 23 TYR HH 1 1
2 735 1 1 23 TYR N N 2.644 5.162 2.476 1.00 . A A . 23 TYR N 1 1
2 736 1 1 23 TYR O O -0.064 5.571 2.902 1.00 . A A . 23 TYR O 1 1
2 737 1 1 23 TYR OH O 0.039 1.360 6.911 1.00 . A A . 23 TYR OH 1 1
2 738 1 1 24 GLU C C -2.778 4.779 0.671 1.00 . A A . 24 GLU C 1 1
2 739 1 1 24 GLU CA C -1.770 5.916 0.732 1.00 . A A . 24 GLU CA 1 1
2 740 1 1 24 GLU CB C -1.990 6.851 -0.457 1.00 . A A . 24 GLU CB 1 1
2 741 1 1 24 GLU CD C -1.112 9.008 0.513 1.00 . A A . 24 GLU CD 1 1
2 742 1 1 24 GLU CG C -0.962 7.964 -0.568 1.00 . A A . 24 GLU CG 1 1
2 743 1 1 24 GLU H H -0.057 5.077 -0.166 1.00 . A A . 24 GLU H 1 1
2 744 1 1 24 GLU HA H -1.891 6.463 1.653 1.00 . A A . 24 GLU HA 1 1
2 745 1 1 24 GLU HB2 H -1.961 6.270 -1.364 1.00 . A A . 24 GLU HB2 1 1
2 746 1 1 24 GLU HB3 H -2.966 7.302 -0.364 1.00 . A A . 24 GLU HB3 1 1
2 747 1 1 24 GLU HG2 H 0.022 7.531 -0.492 1.00 . A A . 24 GLU HG2 1 1
2 748 1 1 24 GLU HG3 H -1.070 8.442 -1.530 1.00 . A A . 24 GLU HG3 1 1
2 749 1 1 24 GLU N N -0.429 5.363 0.696 1.00 . A A . 24 GLU N 1 1
2 750 1 1 24 GLU O O -2.700 3.940 -0.219 1.00 . A A . 24 GLU O 1 1
2 751 1 1 24 GLU OE1 O -0.285 9.018 1.448 1.00 . A A . 24 GLU OE1 1 1
2 752 1 1 24 GLU OE2 O -2.062 9.812 0.452 1.00 . A A . 24 GLU OE2 1 1
2 753 1 1 25 MVA C C -6.144 4.045 1.842 1.00 . A A . 25 MVA C 1 1
2 754 1 1 25 MVA CA C -4.703 3.606 1.572 1.00 . A A . 25 MVA CA 1 1
2 755 1 1 25 MVA CB C -4.299 2.458 2.544 1.00 . A A . 25 MVA CB 1 1
2 756 1 1 25 MVA CG1 C -4.183 2.923 3.987 1.00 . A A . 25 MVA CG1 1 1
2 757 1 1 25 MVA CG2 C -5.287 1.307 2.435 1.00 . A A . 25 MVA CG2 1 1
2 758 1 1 25 MVA CN C -3.866 5.816 2.579 1.00 . A A . 25 MVA CN 1 1
2 759 1 1 25 MVA HA H -4.698 3.176 0.579 1.00 . A A . 25 MVA HA 1 1
2 760 1 1 25 MVA HB H -3.332 2.089 2.238 1.00 . A A . 25 MVA HB 1 1
2 761 1 1 25 MVA HG11 H -5.105 3.395 4.287 1.00 . A A . 25 MVA HG11 1 1
2 762 1 1 25 MVA HG12 H -3.370 3.629 4.071 1.00 . A A . 25 MVA HG12 1 1
2 763 1 1 25 MVA HG13 H -3.989 2.072 4.623 1.00 . A A . 25 MVA HG13 1 1
2 764 1 1 25 MVA HG21 H -5.270 0.911 1.431 1.00 . A A . 25 MVA HG21 1 1
2 765 1 1 25 MVA HG22 H -6.281 1.663 2.662 1.00 . A A . 25 MVA HG22 1 1
2 766 1 1 25 MVA HG23 H -5.016 0.530 3.134 1.00 . A A . 25 MVA HG23 1 1
2 767 1 1 25 MVA HN1 H -3.912 6.764 2.066 1.00 . A A . 25 MVA HN1 1 1
2 768 1 1 25 MVA HN2 H -3.009 5.802 3.236 1.00 . A A . 25 MVA HN2 1 1
2 769 1 1 25 MVA HN3 H -4.768 5.679 3.158 1.00 . A A . 25 MVA HN3 1 1
2 770 1 1 25 MVA N N -3.746 4.725 1.588 1.00 . A A . 25 MVA N 1 1
2 771 1 1 25 MVA O O -6.496 4.521 2.925 1.00 . A A . 25 MVA O 1 1
2 772 1 1 26 HIS C C -9.246 2.973 0.891 1.00 . A A . 26 HIS C 1 1
2 773 1 1 26 HIS CA C -8.387 4.225 0.919 1.00 . A A . 26 HIS CA 1 1
2 774 1 1 26 HIS CB C -8.797 5.152 -0.227 1.00 . A A . 26 HIS CB 1 1
2 775 1 1 26 HIS CD2 C -7.031 7.045 -0.115 1.00 . A A . 26 HIS CD2 1 1
2 776 1 1 26 HIS CE1 C -8.393 8.739 0.129 1.00 . A A . 26 HIS CE1 1 1
2 777 1 1 26 HIS CG C -8.289 6.554 -0.093 1.00 . A A . 26 HIS CG 1 1
2 778 1 1 26 HIS H H -6.636 3.477 -0.008 1.00 . A A . 26 HIS H 1 1
2 779 1 1 26 HIS HA H -8.542 4.735 1.858 1.00 . A A . 26 HIS HA 1 1
2 780 1 1 26 HIS HB2 H -8.421 4.751 -1.154 1.00 . A A . 26 HIS HB2 1 1
2 781 1 1 26 HIS HB3 H -9.873 5.194 -0.272 1.00 . A A . 26 HIS HB3 1 1
2 782 1 1 26 HIS HD1 H -10.100 7.613 0.109 1.00 . A A . 26 HIS HD1 1 1
2 783 1 1 26 HIS HD2 H -6.120 6.471 -0.222 1.00 . A A . 26 HIS HD2 1 1
2 784 1 1 26 HIS HE1 H -8.776 9.741 0.251 1.00 . A A . 26 HIS HE1 1 1
2 785 1 1 26 HIS HE2 H -6.368 9.003 0.229 1.00 . A A . 26 HIS HE2 1 1
2 786 1 1 26 HIS N N -6.978 3.873 0.828 1.00 . A A . 26 HIS N 1 1
2 787 1 1 26 HIS ND1 N -9.119 7.642 0.061 1.00 . A A . 26 HIS ND1 1 1
2 788 1 1 26 HIS NE2 N -7.122 8.406 0.026 1.00 . A A . 26 HIS NE2 1 1
2 789 1 1 26 HIS O O -9.216 2.209 -0.075 1.00 . A A . 26 HIS O 1 1
2 790 1 1 27 CYS C C -12.307 2.049 1.695 1.00 . A A . 27 CYS C 1 1
2 791 1 1 27 CYS CA C -10.888 1.620 2.036 1.00 . A A . 27 CYS CA 1 1
2 792 1 1 27 CYS CB C -10.841 1.004 3.431 1.00 . A A . 27 CYS CB 1 1
2 793 1 1 27 CYS H H -9.928 3.370 2.717 1.00 . A A . 27 CYS H 1 1
2 794 1 1 27 CYS HA H -10.562 0.884 1.316 1.00 . A A . 27 CYS HA 1 1
2 795 1 1 27 CYS HB2 H -11.113 1.754 4.157 1.00 . A A . 27 CYS HB2 1 1
2 796 1 1 27 CYS HB3 H -11.545 0.188 3.480 1.00 . A A . 27 CYS HB3 1 1
2 797 1 1 27 CYS N N -9.988 2.754 1.956 1.00 . A A . 27 CYS N 1 1
2 798 1 1 27 CYS O O -13.068 2.472 2.563 1.00 . A A . 27 CYS O 1 1
2 799 1 1 27 CYS SG S -9.200 0.355 3.888 1.00 . A A . 27 CYS SG 1 1
2 800 1 1 28 NH2 HN1 H -11.995 1.620 -0.217 1.00 . A A . 28 NH2 HN1 1 1
2 801 1 1 28 NH2 HN2 H -13.551 2.261 0.172 1.00 . A A . 28 NH2 HN2 1 1
2 802 1 1 28 NH2 N N -12.653 1.967 0.424 1.00 . A A . 28 NH2 N 1 1
3 803 1 1 1 ASN C C 8.658 -9.195 -1.506 1.00 . A A . 1 ASN C 1 1
3 804 1 1 1 ASN CA C 8.159 -10.603 -1.250 1.00 . A A . 1 ASN CA 1 1
3 805 1 1 1 ASN CB C 7.829 -10.767 0.238 1.00 . A A . 1 ASN CB 1 1
3 806 1 1 1 ASN CG C 6.983 -11.992 0.513 1.00 . A A . 1 ASN CG 1 1
3 807 1 1 1 ASN H1 H 10.051 -11.461 -1.150 1.00 . A A . 1 ASN H1 1 1
3 808 1 1 1 ASN H2 H 9.362 -11.493 -2.693 1.00 . A A . 1 ASN H2 1 1
3 809 1 1 1 ASN H3 H 8.817 -12.560 -1.501 1.00 . A A . 1 ASN H3 1 1
3 810 1 1 1 ASN HA H 7.261 -10.764 -1.830 1.00 . A A . 1 ASN HA 1 1
3 811 1 1 1 ASN HB2 H 8.748 -10.856 0.796 1.00 . A A . 1 ASN HB2 1 1
3 812 1 1 1 ASN HB3 H 7.290 -9.896 0.579 1.00 . A A . 1 ASN HB3 1 1
3 813 1 1 1 ASN HD21 H 6.187 -11.112 2.111 1.00 . A A . 1 ASN HD21 1 1
3 814 1 1 1 ASN HD22 H 5.625 -12.715 1.772 1.00 . A A . 1 ASN HD22 1 1
3 815 1 1 1 ASN N N 9.167 -11.599 -1.678 1.00 . A A . 1 ASN N 1 1
3 816 1 1 1 ASN ND2 N 6.185 -11.934 1.569 1.00 . A A . 1 ASN ND2 1 1
3 817 1 1 1 ASN O O 9.860 -8.968 -1.637 1.00 . A A . 1 ASN O 1 1
3 818 1 1 1 ASN OD1 O 7.046 -12.980 -0.214 1.00 . A A . 1 ASN OD1 1 1
3 819 1 1 2 ASP C C 7.121 -5.986 -0.972 1.00 . A A . 2 ASP C 1 1
3 820 1 1 2 ASP CA C 8.062 -6.856 -1.784 1.00 . A A . 2 ASP CA 1 1
3 821 1 1 2 ASP CB C 7.974 -6.482 -3.263 1.00 . A A . 2 ASP CB 1 1
3 822 1 1 2 ASP CG C 8.297 -5.023 -3.504 1.00 . A A . 2 ASP CG 1 1
3 823 1 1 2 ASP H H 6.786 -8.505 -1.490 1.00 . A A . 2 ASP H 1 1
3 824 1 1 2 ASP HA H 9.072 -6.701 -1.437 1.00 . A A . 2 ASP HA 1 1
3 825 1 1 2 ASP HB2 H 8.671 -7.084 -3.824 1.00 . A A . 2 ASP HB2 1 1
3 826 1 1 2 ASP HB3 H 6.973 -6.674 -3.617 1.00 . A A . 2 ASP HB3 1 1
3 827 1 1 2 ASP N N 7.728 -8.255 -1.583 1.00 . A A . 2 ASP N 1 1
3 828 1 1 2 ASP O O 6.007 -6.408 -0.669 1.00 . A A . 2 ASP O 1 1
3 829 1 1 2 ASP OD1 O 7.359 -4.236 -3.742 1.00 . A A . 2 ASP OD1 1 1
3 830 1 1 2 ASP OD2 O 9.492 -4.662 -3.474 1.00 . A A . 2 ASP OD2 1 1
3 831 1 1 3 ABA C C 5.411 -3.628 -0.482 1.00 . A A . 3 AIB C 1 1
3 832 1 1 3 ABA CA C 6.789 -3.833 0.162 1.00 . A A . 3 AIB CA 1 1
3 833 1 1 3 ABA H H 8.477 -4.524 -0.915 1.00 . A A . 3 AIB H 1 1
3 834 1 1 3 ABA N N 7.577 -4.784 -0.628 1.00 . A A . 3 AIB N 1 1
3 835 1 1 3 ABA O O 4.378 -3.786 0.172 1.00 . A A . 3 AIB O 1 1
3 836 1 1 4 CYS C C 3.267 -4.243 -2.518 1.00 . A A . 4 CYS C 1 1
3 837 1 1 4 CYS CA C 4.159 -3.009 -2.466 1.00 . A A . 4 CYS CA 1 1
3 838 1 1 4 CYS CB C 4.436 -2.489 -3.877 1.00 . A A . 4 CYS CB 1 1
3 839 1 1 4 CYS H H 6.249 -3.278 -2.270 1.00 . A A . 4 CYS H 1 1
3 840 1 1 4 CYS HA H 3.648 -2.242 -1.907 1.00 . A A . 4 CYS HA 1 1
3 841 1 1 4 CYS HB2 H 4.989 -3.233 -4.423 1.00 . A A . 4 CYS HB2 1 1
3 842 1 1 4 CYS HB3 H 3.497 -2.309 -4.375 1.00 . A A . 4 CYS HB3 1 1
3 843 1 1 4 CYS N N 5.402 -3.303 -1.770 1.00 . A A . 4 CYS N 1 1
3 844 1 1 4 CYS O O 2.053 -4.146 -2.352 1.00 . A A . 4 CYS O 1 1
3 845 1 1 4 CYS SG S 5.397 -0.941 -3.922 1.00 . A A . 4 CYS SG 1 1
3 846 1 1 5 LYS C C 2.463 -6.934 -1.434 1.00 . A A . 5 LYS C 1 1
3 847 1 1 5 LYS CA C 3.153 -6.664 -2.766 1.00 . A A . 5 LYS CA 1 1
3 848 1 1 5 LYS CB C 4.106 -7.818 -3.103 1.00 . A A . 5 LYS CB 1 1
3 849 1 1 5 LYS CD C 4.445 -10.295 -3.359 1.00 . A A . 5 LYS CD 1 1
3 850 1 1 5 LYS CE C 3.775 -11.652 -3.523 1.00 . A A . 5 LYS CE 1 1
3 851 1 1 5 LYS CG C 3.425 -9.175 -3.216 1.00 . A A . 5 LYS CG 1 1
3 852 1 1 5 LYS H H 4.859 -5.412 -2.822 1.00 . A A . 5 LYS H 1 1
3 853 1 1 5 LYS HA H 2.404 -6.583 -3.537 1.00 . A A . 5 LYS HA 1 1
3 854 1 1 5 LYS HB2 H 4.589 -7.605 -4.045 1.00 . A A . 5 LYS HB2 1 1
3 855 1 1 5 LYS HB3 H 4.860 -7.882 -2.332 1.00 . A A . 5 LYS HB3 1 1
3 856 1 1 5 LYS HD2 H 5.056 -10.101 -4.227 1.00 . A A . 5 LYS HD2 1 1
3 857 1 1 5 LYS HD3 H 5.068 -10.315 -2.476 1.00 . A A . 5 LYS HD3 1 1
3 858 1 1 5 LYS HE2 H 4.538 -12.419 -3.523 1.00 . A A . 5 LYS HE2 1 1
3 859 1 1 5 LYS HE3 H 3.107 -11.813 -2.690 1.00 . A A . 5 LYS HE3 1 1
3 860 1 1 5 LYS HG2 H 2.836 -9.349 -2.327 1.00 . A A . 5 LYS HG2 1 1
3 861 1 1 5 LYS HG3 H 2.780 -9.174 -4.084 1.00 . A A . 5 LYS HG3 1 1
3 862 1 1 5 LYS HZ1 H 2.272 -11.002 -4.822 1.00 . A A . 5 LYS HZ1 1 1
3 863 1 1 5 LYS HZ2 H 2.541 -12.670 -4.862 1.00 . A A . 5 LYS HZ2 1 1
3 864 1 1 5 LYS HZ3 H 3.637 -11.623 -5.605 1.00 . A A . 5 LYS HZ3 1 1
3 865 1 1 5 LYS N N 3.884 -5.403 -2.714 1.00 . A A . 5 LYS N 1 1
3 866 1 1 5 LYS NZ N 3.002 -11.742 -4.790 1.00 . A A . 5 LYS NZ 1 1
3 867 1 1 5 LYS O O 1.264 -7.220 -1.392 1.00 . A A . 5 LYS O 1 1
3 868 1 1 6 ABA C C 1.570 -6.125 1.291 1.00 . A A . 6 AIB C 1 1
3 869 1 1 6 ABA CA C 2.747 -7.055 1.002 1.00 . A A . 6 AIB CA 1 1
3 870 1 1 6 ABA H H 4.169 -6.533 -0.476 1.00 . A A . 6 AIB H 1 1
3 871 1 1 6 ABA N N 3.235 -6.810 -0.356 1.00 . A A . 6 AIB N 1 1
3 872 1 1 6 ABA O O 0.526 -6.559 1.775 1.00 . A A . 6 AIB O 1 1
3 873 1 1 7 LEU C C -0.529 -4.114 0.417 1.00 . A A . 7 LEU C 1 1
3 874 1 1 7 LEU CA C 0.722 -3.849 1.242 1.00 . A A . 7 LEU CA 1 1
3 875 1 1 7 LEU CB C 1.252 -2.444 0.951 1.00 . A A . 7 LEU CB 1 1
3 876 1 1 7 LEU CD1 C 2.959 -0.648 1.304 1.00 . A A . 7 LEU CD1 1 1
3 877 1 1 7 LEU CD2 C 2.218 -2.041 3.233 1.00 . A A . 7 LEU CD2 1 1
3 878 1 1 7 LEU CG C 2.496 -2.028 1.739 1.00 . A A . 7 LEU CG 1 1
3 879 1 1 7 LEU H H 2.586 -4.571 0.541 1.00 . A A . 7 LEU H 1 1
3 880 1 1 7 LEU HA H 0.468 -3.918 2.287 1.00 . A A . 7 LEU HA 1 1
3 881 1 1 7 LEU HB2 H 1.481 -2.383 -0.101 1.00 . A A . 7 LEU HB2 1 1
3 882 1 1 7 LEU HB3 H 0.465 -1.740 1.170 1.00 . A A . 7 LEU HB3 1 1
3 883 1 1 7 LEU HD11 H 3.844 -0.373 1.859 1.00 . A A . 7 LEU HD11 1 1
3 884 1 1 7 LEU HD12 H 2.175 0.068 1.499 1.00 . A A . 7 LEU HD12 1 1
3 885 1 1 7 LEU HD13 H 3.183 -0.659 0.248 1.00 . A A . 7 LEU HD13 1 1
3 886 1 1 7 LEU HD21 H 1.940 -3.038 3.540 1.00 . A A . 7 LEU HD21 1 1
3 887 1 1 7 LEU HD22 H 1.411 -1.357 3.452 1.00 . A A . 7 LEU HD22 1 1
3 888 1 1 7 LEU HD23 H 3.104 -1.733 3.767 1.00 . A A . 7 LEU HD23 1 1
3 889 1 1 7 LEU HG H 3.295 -2.728 1.537 1.00 . A A . 7 LEU HG 1 1
3 890 1 1 7 LEU N N 1.744 -4.847 0.970 1.00 . A A . 7 LEU N 1 1
3 891 1 1 7 LEU O O -1.648 -3.997 0.915 1.00 . A A . 7 LEU O 1 1
3 892 1 1 8 LYS C C -2.285 -5.930 -1.200 1.00 . A A . 8 LYS C 1 1
3 893 1 1 8 LYS CA C -1.464 -4.762 -1.721 1.00 . A A . 8 LYS CA 1 1
3 894 1 1 8 LYS CB C -0.989 -5.040 -3.149 1.00 . A A . 8 LYS CB 1 1
3 895 1 1 8 LYS CD C -0.172 -4.099 -5.343 1.00 . A A . 8 LYS CD 1 1
3 896 1 1 8 LYS CE C -1.305 -4.743 -6.133 1.00 . A A . 8 LYS CE 1 1
3 897 1 1 8 LYS CG C -0.585 -3.785 -3.911 1.00 . A A . 8 LYS CG 1 1
3 898 1 1 8 LYS H H 0.577 -4.576 -1.183 1.00 . A A . 8 LYS H 1 1
3 899 1 1 8 LYS HA H -2.090 -3.886 -1.728 1.00 . A A . 8 LYS HA 1 1
3 900 1 1 8 LYS HB2 H -0.137 -5.701 -3.109 1.00 . A A . 8 LYS HB2 1 1
3 901 1 1 8 LYS HB3 H -1.785 -5.524 -3.692 1.00 . A A . 8 LYS HB3 1 1
3 902 1 1 8 LYS HD2 H 0.116 -3.181 -5.832 1.00 . A A . 8 LYS HD2 1 1
3 903 1 1 8 LYS HD3 H 0.671 -4.776 -5.320 1.00 . A A . 8 LYS HD3 1 1
3 904 1 1 8 LYS HE2 H -0.978 -4.893 -7.151 1.00 . A A . 8 LYS HE2 1 1
3 905 1 1 8 LYS HE3 H -1.540 -5.700 -5.689 1.00 . A A . 8 LYS HE3 1 1
3 906 1 1 8 LYS HG2 H -1.421 -3.104 -3.933 1.00 . A A . 8 LYS HG2 1 1
3 907 1 1 8 LYS HG3 H 0.246 -3.318 -3.402 1.00 . A A . 8 LYS HG3 1 1
3 908 1 1 8 LYS HZ1 H -3.283 -4.366 -6.680 1.00 . A A . 8 LYS HZ1 1 1
3 909 1 1 8 LYS HZ2 H -2.326 -2.978 -6.578 1.00 . A A . 8 LYS HZ2 1 1
3 910 1 1 8 LYS HZ3 H -2.861 -3.740 -5.169 1.00 . A A . 8 LYS HZ3 1 1
3 911 1 1 8 LYS N N -0.341 -4.484 -0.841 1.00 . A A . 8 LYS N 1 1
3 912 1 1 8 LYS NZ N -2.527 -3.899 -6.141 1.00 . A A . 8 LYS NZ 1 1
3 913 1 1 8 LYS O O -3.499 -5.815 -1.057 1.00 . A A . 8 LYS O 1 1
3 914 1 1 9 ABA C C -2.946 -7.888 0.971 1.00 . A A . 9 AIB C 1 1
3 915 1 1 9 ABA CA C -2.262 -8.234 -0.356 1.00 . A A . 9 AIB CA 1 1
3 916 1 1 9 ABA H H -0.633 -7.044 -1.028 1.00 . A A . 9 AIB H 1 1
3 917 1 1 9 ABA N N -1.609 -7.034 -0.894 1.00 . A A . 9 AIB N 1 1
3 918 1 1 9 ABA O O -4.061 -8.335 1.253 1.00 . A A . 9 AIB O 1 1
3 919 1 1 10 ARG C C -4.012 -5.879 3.018 1.00 . A A . 10 ARG C 1 1
3 920 1 1 10 ARG CA C -2.732 -6.704 3.097 1.00 . A A . 10 ARG CA 1 1
3 921 1 1 10 ARG CB C -1.631 -5.914 3.805 1.00 . A A . 10 ARG CB 1 1
3 922 1 1 10 ARG CD C -0.749 -4.842 5.868 1.00 . A A . 10 ARG CD 1 1
3 923 1 1 10 ARG CG C -1.966 -5.475 5.215 1.00 . A A . 10 ARG CG 1 1
3 924 1 1 10 ARG CZ C -0.106 -4.074 8.111 1.00 . A A . 10 ARG CZ 1 1
3 925 1 1 10 ARG H H -1.396 -6.732 1.462 1.00 . A A . 10 ARG H 1 1
3 926 1 1 10 ARG HA H -2.928 -7.606 3.653 1.00 . A A . 10 ARG HA 1 1
3 927 1 1 10 ARG HB2 H -0.742 -6.523 3.849 1.00 . A A . 10 ARG HB2 1 1
3 928 1 1 10 ARG HB3 H -1.415 -5.029 3.223 1.00 . A A . 10 ARG HB3 1 1
3 929 1 1 10 ARG HD2 H 0.019 -5.595 5.965 1.00 . A A . 10 ARG HD2 1 1
3 930 1 1 10 ARG HD3 H -0.392 -4.046 5.232 1.00 . A A . 10 ARG HD3 1 1
3 931 1 1 10 ARG HE H -1.974 -4.075 7.393 1.00 . A A . 10 ARG HE 1 1
3 932 1 1 10 ARG HG2 H -2.767 -4.753 5.178 1.00 . A A . 10 ARG HG2 1 1
3 933 1 1 10 ARG HG3 H -2.270 -6.335 5.790 1.00 . A A . 10 ARG HG3 1 1
3 934 1 1 10 ARG HH11 H 1.868 -4.212 8.561 1.00 . A A . 10 ARG HH11 1 1
3 935 1 1 10 ARG HH12 H 1.427 -4.787 6.985 1.00 . A A . 10 ARG HH12 1 1
3 936 1 1 10 ARG HH21 H -1.395 -3.309 9.474 1.00 . A A . 10 ARG HH21 1 1
3 937 1 1 10 ARG HH22 H 0.266 -3.371 9.973 1.00 . A A . 10 ARG HH22 1 1
3 938 1 1 10 ARG N N -2.261 -7.084 1.772 1.00 . A A . 10 ARG N 1 1
3 939 1 1 10 ARG NE N -1.039 -4.298 7.190 1.00 . A A . 10 ARG NE 1 1
3 940 1 1 10 ARG NH1 N 1.164 -4.381 7.865 1.00 . A A . 10 ARG NH1 1 1
3 941 1 1 10 ARG NH2 N -0.440 -3.544 9.279 1.00 . A A . 10 ARG NH2 1 1
3 942 1 1 10 ARG O O -4.936 -6.066 3.811 1.00 . A A . 10 ARG O 1 1
3 943 1 1 11 TYR C C -6.045 -4.404 0.708 1.00 . A A . 11 TYR C 1 1
3 944 1 1 11 TYR CA C -5.191 -4.067 1.929 1.00 . A A . 11 TYR CA 1 1
3 945 1 1 11 TYR CB C -4.675 -2.632 1.846 1.00 . A A . 11 TYR CB 1 1
3 946 1 1 11 TYR CD1 C -4.537 -1.956 4.271 1.00 . A A . 11 TYR CD1 1 1
3 947 1 1 11 TYR CD2 C -2.513 -2.055 3.019 1.00 . A A . 11 TYR CD2 1 1
3 948 1 1 11 TYR CE1 C -3.830 -1.568 5.392 1.00 . A A . 11 TYR CE1 1 1
3 949 1 1 11 TYR CE2 C -1.797 -1.667 4.136 1.00 . A A . 11 TYR CE2 1 1
3 950 1 1 11 TYR CG C -3.893 -2.206 3.068 1.00 . A A . 11 TYR CG 1 1
3 951 1 1 11 TYR CZ C -2.460 -1.424 5.320 1.00 . A A . 11 TYR CZ 1 1
3 952 1 1 11 TYR H H -3.328 -4.921 1.404 1.00 . A A . 11 TYR H 1 1
3 953 1 1 11 TYR HA H -5.798 -4.168 2.816 1.00 . A A . 11 TYR HA 1 1
3 954 1 1 11 TYR HB2 H -4.028 -2.538 0.986 1.00 . A A . 11 TYR HB2 1 1
3 955 1 1 11 TYR HB3 H -5.513 -1.963 1.736 1.00 . A A . 11 TYR HB3 1 1
3 956 1 1 11 TYR HD1 H -5.609 -2.071 4.325 1.00 . A A . 11 TYR HD1 1 1
3 957 1 1 11 TYR HD2 H -1.996 -2.248 2.088 1.00 . A A . 11 TYR HD2 1 1
3 958 1 1 11 TYR HE1 H -4.351 -1.379 6.317 1.00 . A A . 11 TYR HE1 1 1
3 959 1 1 11 TYR HE2 H -0.727 -1.556 4.076 1.00 . A A . 11 TYR HE2 1 1
3 960 1 1 11 TYR HH H -1.080 -0.387 6.195 1.00 . A A . 11 TYR HH 1 1
3 961 1 1 11 TYR N N -4.067 -4.979 2.054 1.00 . A A . 11 TYR N 1 1
3 962 1 1 11 TYR O O -6.441 -3.516 -0.044 1.00 . A A . 11 TYR O 1 1
3 963 1 1 11 TYR OH O -1.751 -1.041 6.440 1.00 . A A . 11 TYR OH 1 1
3 964 1 1 12 ABA C C -8.505 -5.476 -0.651 1.00 . A A . 12 AIB C 1 1
3 965 1 1 12 ABA CA C -7.153 -6.201 -0.580 1.00 . A A . 12 AIB CA 1 1
3 966 1 1 12 ABA H H -5.984 -6.335 1.194 1.00 . A A . 12 AIB H 1 1
3 967 1 1 12 ABA N N -6.338 -5.693 0.543 1.00 . A A . 12 AIB N 1 1
3 968 1 1 12 ABA O O -9.022 -5.212 -1.737 1.00 . A A . 12 AIB O 1 1
3 969 1 1 13 GLY C C -10.276 -3.000 0.362 1.00 . A A . 13 GLY C 1 1
3 970 1 1 13 GLY CA C -10.368 -4.504 0.531 1.00 . A A . 13 GLY CA 1 1
3 971 1 1 13 GLY H H -8.610 -5.365 1.342 1.00 . A A . 13 GLY H 1 1
3 972 1 1 13 GLY HA2 H -10.976 -4.906 -0.264 1.00 . A A . 13 GLY HA2 1 1
3 973 1 1 13 GLY HA3 H -10.845 -4.718 1.476 1.00 . A A . 13 GLY HA3 1 1
3 974 1 1 13 GLY N N -9.073 -5.156 0.503 1.00 . A A . 13 GLY N 1 1
3 975 1 1 13 GLY O O -11.268 -2.287 0.517 1.00 . A A . 13 GLY O 1 1
3 976 1 1 14 CYS C C -7.949 -0.836 -1.314 1.00 . A A . 14 CYS C 1 1
3 977 1 1 14 CYS CA C -8.857 -1.090 -0.113 1.00 . A A . 14 CYS CA 1 1
3 978 1 1 14 CYS CB C -8.208 -0.535 1.156 1.00 . A A . 14 CYS CB 1 1
3 979 1 1 14 CYS H H -8.337 -3.135 -0.100 1.00 . A A . 14 CYS H 1 1
3 980 1 1 14 CYS HA H -9.806 -0.605 -0.274 1.00 . A A . 14 CYS HA 1 1
3 981 1 1 14 CYS HB2 H -7.199 -0.903 1.219 1.00 . A A . 14 CYS HB2 1 1
3 982 1 1 14 CYS HB3 H -8.187 0.544 1.098 1.00 . A A . 14 CYS HB3 1 1
3 983 1 1 14 CYS N N -9.088 -2.515 0.041 1.00 . A A . 14 CYS N 1 1
3 984 1 1 14 CYS O O -7.573 -1.769 -2.029 1.00 . A A . 14 CYS O 1 1
3 985 1 1 14 CYS SG S -9.059 -0.992 2.705 1.00 . A A . 14 CYS SG 1 1
3 986 1 1 15 GLU C C -5.387 1.335 -1.972 1.00 . A A . 15 GLU C 1 1
3 987 1 1 15 GLU CA C -6.672 0.789 -2.590 1.00 . A A . 15 GLU CA 1 1
3 988 1 1 15 GLU CB C -7.285 1.825 -3.534 1.00 . A A . 15 GLU CB 1 1
3 989 1 1 15 GLU CD C -9.052 2.338 -5.260 1.00 . A A . 15 GLU CD 1 1
3 990 1 1 15 GLU CG C -8.488 1.309 -4.305 1.00 . A A . 15 GLU CG 1 1
3 991 1 1 15 GLU H H -8.027 1.135 -1.005 1.00 . A A . 15 GLU H 1 1
3 992 1 1 15 GLU HA H -6.439 -0.102 -3.152 1.00 . A A . 15 GLU HA 1 1
3 993 1 1 15 GLU HB2 H -7.598 2.681 -2.954 1.00 . A A . 15 GLU HB2 1 1
3 994 1 1 15 GLU HB3 H -6.534 2.136 -4.244 1.00 . A A . 15 GLU HB3 1 1
3 995 1 1 15 GLU HG2 H -8.191 0.440 -4.873 1.00 . A A . 15 GLU HG2 1 1
3 996 1 1 15 GLU HG3 H -9.259 1.032 -3.601 1.00 . A A . 15 GLU HG3 1 1
3 997 1 1 15 GLU N N -7.617 0.425 -1.545 1.00 . A A . 15 GLU N 1 1
3 998 1 1 15 GLU O O -5.369 2.462 -1.463 1.00 . A A . 15 GLU O 1 1
3 999 1 1 15 GLU OE1 O -10.001 3.051 -4.881 1.00 . A A . 15 GLU OE1 1 1
3 1000 1 1 15 GLU OE2 O -8.557 2.428 -6.402 1.00 . A A . 15 GLU OE2 1 1
3 1001 1 1 16 MVA C C -2.159 1.630 -2.554 1.00 . A A . 16 MVA C 1 1
3 1002 1 1 16 MVA CA C -3.011 1.004 -1.444 1.00 . A A . 16 MVA CA 1 1
3 1003 1 1 16 MVA CB C -2.187 -0.130 -0.751 1.00 . A A . 16 MVA CB 1 1
3 1004 1 1 16 MVA CG1 C -1.252 -0.851 -1.722 1.00 . A A . 16 MVA CG1 1 1
3 1005 1 1 16 MVA CG2 C -1.384 0.430 0.411 1.00 . A A . 16 MVA CG2 1 1
3 1006 1 1 16 MVA CN C -4.446 -0.860 -2.445 1.00 . A A . 16 MVA CN 1 1
3 1007 1 1 16 MVA HA H -3.181 1.773 -0.700 1.00 . A A . 16 MVA HA 1 1
3 1008 1 1 16 MVA HB H -2.881 -0.856 -0.355 1.00 . A A . 16 MVA HB 1 1
3 1009 1 1 16 MVA HG11 H -0.814 -1.704 -1.229 1.00 . A A . 16 MVA HG11 1 1
3 1010 1 1 16 MVA HG12 H -0.470 -0.175 -2.032 1.00 . A A . 16 MVA HG12 1 1
3 1011 1 1 16 MVA HG13 H -1.807 -1.178 -2.588 1.00 . A A . 16 MVA HG13 1 1
3 1012 1 1 16 MVA HG21 H -0.823 -0.363 0.877 1.00 . A A . 16 MVA HG21 1 1
3 1013 1 1 16 MVA HG22 H -2.053 0.872 1.133 1.00 . A A . 16 MVA HG22 1 1
3 1014 1 1 16 MVA HG23 H -0.699 1.183 0.045 1.00 . A A . 16 MVA HG23 1 1
3 1015 1 1 16 MVA HN1 H -5.370 -1.279 -2.076 1.00 . A A . 16 MVA HN1 1 1
3 1016 1 1 16 MVA HN2 H -3.619 -1.451 -2.088 1.00 . A A . 16 MVA HN2 1 1
3 1017 1 1 16 MVA HN3 H -4.457 -0.867 -3.524 1.00 . A A . 16 MVA HN3 1 1
3 1018 1 1 16 MVA N N -4.308 0.529 -1.959 1.00 . A A . 16 MVA N 1 1
3 1019 1 1 16 MVA O O -2.217 1.221 -3.719 1.00 . A A . 16 MVA O 1 1
3 1020 1 1 17 ARG C C 0.917 3.313 -2.362 1.00 . A A . 17 ARG C 1 1
3 1021 1 1 17 ARG CA C -0.427 3.267 -3.064 1.00 . A A . 17 ARG CA 1 1
3 1022 1 1 17 ARG CB C -0.841 4.695 -3.412 1.00 . A A . 17 ARG CB 1 1
3 1023 1 1 17 ARG CD C -2.589 6.288 -4.216 1.00 . A A . 17 ARG CD 1 1
3 1024 1 1 17 ARG CG C -2.242 4.827 -3.976 1.00 . A A . 17 ARG CG 1 1
3 1025 1 1 17 ARG CZ C -4.661 7.608 -4.343 1.00 . A A . 17 ARG CZ 1 1
3 1026 1 1 17 ARG H H -1.487 2.986 -1.262 1.00 . A A . 17 ARG H 1 1
3 1027 1 1 17 ARG HA H -0.349 2.678 -3.963 1.00 . A A . 17 ARG HA 1 1
3 1028 1 1 17 ARG HB2 H -0.781 5.297 -2.521 1.00 . A A . 17 ARG HB2 1 1
3 1029 1 1 17 ARG HB3 H -0.146 5.086 -4.140 1.00 . A A . 17 ARG HB3 1 1
3 1030 1 1 17 ARG HD2 H -2.381 6.844 -3.314 1.00 . A A . 17 ARG HD2 1 1
3 1031 1 1 17 ARG HD3 H -1.969 6.664 -5.017 1.00 . A A . 17 ARG HD3 1 1
3 1032 1 1 17 ARG HE H -4.456 5.732 -5.014 1.00 . A A . 17 ARG HE 1 1
3 1033 1 1 17 ARG HG2 H -2.295 4.290 -4.913 1.00 . A A . 17 ARG HG2 1 1
3 1034 1 1 17 ARG HG3 H -2.945 4.405 -3.273 1.00 . A A . 17 ARG HG3 1 1
3 1035 1 1 17 ARG HH11 H -4.562 9.488 -3.590 1.00 . A A . 17 ARG HH11 1 1
3 1036 1 1 17 ARG HH12 H -3.085 8.576 -3.495 1.00 . A A . 17 ARG HH12 1 1
3 1037 1 1 17 ARG HH21 H -6.398 6.936 -5.135 1.00 . A A . 17 ARG HH21 1 1
3 1038 1 1 17 ARG HH22 H -6.439 8.559 -4.517 1.00 . A A . 17 ARG HH22 1 1
3 1039 1 1 17 ARG N N -1.395 2.643 -2.178 1.00 . A A . 17 ARG N 1 1
3 1040 1 1 17 ARG NE N -3.991 6.482 -4.573 1.00 . A A . 17 ARG NE 1 1
3 1041 1 1 17 ARG NH1 N -4.055 8.638 -3.764 1.00 . A A . 17 ARG NH1 1 1
3 1042 1 1 17 ARG NH2 N -5.934 7.708 -4.694 1.00 . A A . 17 ARG NH2 1 1
3 1043 1 1 17 ARG O O 1.083 4.057 -1.395 1.00 . A A . 17 ARG O 1 1
3 1044 1 1 18 CYS C C 4.078 3.572 -2.728 1.00 . A A . 18 CYS C 1 1
3 1045 1 1 18 CYS CA C 3.168 2.478 -2.177 1.00 . A A . 18 CYS CA 1 1
3 1046 1 1 18 CYS CB C 3.812 1.095 -2.325 1.00 . A A . 18 CYS CB 1 1
3 1047 1 1 18 CYS H H 1.695 1.960 -3.610 1.00 . A A . 18 CYS H 1 1
3 1048 1 1 18 CYS HA H 3.007 2.673 -1.125 1.00 . A A . 18 CYS HA 1 1
3 1049 1 1 18 CYS HB2 H 4.801 1.122 -1.894 1.00 . A A . 18 CYS HB2 1 1
3 1050 1 1 18 CYS HB3 H 3.213 0.372 -1.790 1.00 . A A . 18 CYS HB3 1 1
3 1051 1 1 18 CYS N N 1.866 2.519 -2.819 1.00 . A A . 18 CYS N 1 1
3 1052 1 1 18 CYS O O 4.326 3.650 -3.932 1.00 . A A . 18 CYS O 1 1
3 1053 1 1 18 CYS SG S 3.981 0.510 -4.042 1.00 . A A . 18 CYS SG 1 1
3 1054 1 1 19 ASP C C 6.648 5.542 -1.299 1.00 . A A . 19 ASP C 1 1
3 1055 1 1 19 ASP CA C 5.415 5.535 -2.200 1.00 . A A . 19 ASP CA 1 1
3 1056 1 1 19 ASP CB C 4.655 6.859 -2.063 1.00 . A A . 19 ASP CB 1 1
3 1057 1 1 19 ASP CG C 5.376 8.019 -2.719 1.00 . A A . 19 ASP CG 1 1
3 1058 1 1 19 ASP H H 4.325 4.299 -0.887 1.00 . A A . 19 ASP H 1 1
3 1059 1 1 19 ASP HA H 5.722 5.402 -3.225 1.00 . A A . 19 ASP HA 1 1
3 1060 1 1 19 ASP HB2 H 3.684 6.756 -2.523 1.00 . A A . 19 ASP HB2 1 1
3 1061 1 1 19 ASP HB3 H 4.528 7.084 -1.014 1.00 . A A . 19 ASP HB3 1 1
3 1062 1 1 19 ASP N N 4.554 4.423 -1.834 1.00 . A A . 19 ASP N 1 1
3 1063 1 1 19 ASP O O 6.661 6.188 -0.247 1.00 . A A . 19 ASP O 1 1
3 1064 1 1 19 ASP OD1 O 6.201 8.671 -2.037 1.00 . A A . 19 ASP OD1 1 1
3 1065 1 1 19 ASP OD2 O 5.139 8.282 -3.918 1.00 . A A . 19 ASP OD2 1 1
3 1066 1 1 20 DPR C C 8.569 4.048 0.499 1.00 . A A . 20 DPR C 1 1
3 1067 1 1 20 DPR CA C 8.898 4.646 -0.868 1.00 . A A . 20 DPR CA 1 1
3 1068 1 1 20 DPR CB C 9.778 3.692 -1.677 1.00 . A A . 20 DPR CB 1 1
3 1069 1 1 20 DPR CD C 7.804 4.070 -2.962 1.00 . A A . 20 DPR CD 1 1
3 1070 1 1 20 DPR CG C 9.278 3.801 -3.075 1.00 . A A . 20 DPR CG 1 1
3 1071 1 1 20 DPR HA H 9.416 5.582 -0.739 1.00 . A A . 20 DPR HA 1 1
3 1072 1 1 20 DPR HB2 H 10.810 3.998 -1.599 1.00 . A A . 20 DPR HB2 1 1
3 1073 1 1 20 DPR HB3 H 9.665 2.688 -1.297 1.00 . A A . 20 DPR HB3 1 1
3 1074 1 1 20 DPR HD2 H 7.470 4.679 -3.787 1.00 . A A . 20 DPR HD2 1 1
3 1075 1 1 20 DPR HD3 H 7.250 3.145 -2.922 1.00 . A A . 20 DPR HD3 1 1
3 1076 1 1 20 DPR HG2 H 9.770 4.618 -3.581 1.00 . A A . 20 DPR HG2 1 1
3 1077 1 1 20 DPR HG3 H 9.450 2.873 -3.601 1.00 . A A . 20 DPR HG3 1 1
3 1078 1 1 20 DPR N N 7.697 4.803 -1.690 1.00 . A A . 20 DPR N 1 1
3 1079 1 1 20 DPR O O 7.992 2.962 0.591 1.00 . A A . 20 DPR O 1 1
3 1080 1 1 21 PRO C C 7.226 4.603 3.399 1.00 . A A . 21 PRO C 1 1
3 1081 1 1 21 PRO CA C 8.656 4.312 2.947 1.00 . A A . 21 PRO CA 1 1
3 1082 1 1 21 PRO CB C 9.647 5.139 3.760 1.00 . A A . 21 PRO CB 1 1
3 1083 1 1 21 PRO CD C 9.632 6.053 1.551 1.00 . A A . 21 PRO CD 1 1
3 1084 1 1 21 PRO CG C 9.756 6.418 3.007 1.00 . A A . 21 PRO CG 1 1
3 1085 1 1 21 PRO HA H 8.870 3.262 3.072 1.00 . A A . 21 PRO HA 1 1
3 1086 1 1 21 PRO HB2 H 9.261 5.293 4.756 1.00 . A A . 21 PRO HB2 1 1
3 1087 1 1 21 PRO HB3 H 10.596 4.630 3.807 1.00 . A A . 21 PRO HB3 1 1
3 1088 1 1 21 PRO HD2 H 9.056 6.798 1.022 1.00 . A A . 21 PRO HD2 1 1
3 1089 1 1 21 PRO HD3 H 10.609 5.944 1.105 1.00 . A A . 21 PRO HD3 1 1
3 1090 1 1 21 PRO HG2 H 8.955 7.081 3.297 1.00 . A A . 21 PRO HG2 1 1
3 1091 1 1 21 PRO HG3 H 10.714 6.879 3.199 1.00 . A A . 21 PRO HG3 1 1
3 1092 1 1 21 PRO N N 8.922 4.759 1.577 1.00 . A A . 21 PRO N 1 1
3 1093 1 1 21 PRO O O 6.799 4.163 4.469 1.00 . A A . 21 PRO O 1 1
3 1094 1 1 22 ARG C C 4.142 5.113 1.978 1.00 . A A . 22 ARG C 1 1
3 1095 1 1 22 ARG CA C 5.142 5.760 2.925 1.00 . A A . 22 ARG CA 1 1
3 1096 1 1 22 ARG CB C 5.064 7.291 2.845 1.00 . A A . 22 ARG CB 1 1
3 1097 1 1 22 ARG CD C 3.734 9.403 3.155 1.00 . A A . 22 ARG CD 1 1
3 1098 1 1 22 ARG CG C 3.705 7.881 3.186 1.00 . A A . 22 ARG CG 1 1
3 1099 1 1 22 ARG CZ C 5.003 11.221 4.263 1.00 . A A . 22 ARG CZ 1 1
3 1100 1 1 22 ARG H H 6.852 5.583 1.696 1.00 . A A . 22 ARG H 1 1
3 1101 1 1 22 ARG HA H 4.933 5.439 3.936 1.00 . A A . 22 ARG HA 1 1
3 1102 1 1 22 ARG HB2 H 5.791 7.707 3.526 1.00 . A A . 22 ARG HB2 1 1
3 1103 1 1 22 ARG HB3 H 5.318 7.593 1.841 1.00 . A A . 22 ARG HB3 1 1
3 1104 1 1 22 ARG HD2 H 4.145 9.719 2.210 1.00 . A A . 22 ARG HD2 1 1
3 1105 1 1 22 ARG HD3 H 2.721 9.771 3.247 1.00 . A A . 22 ARG HD3 1 1
3 1106 1 1 22 ARG HE H 4.743 9.383 5.003 1.00 . A A . 22 ARG HE 1 1
3 1107 1 1 22 ARG HG2 H 2.981 7.531 2.464 1.00 . A A . 22 ARG HG2 1 1
3 1108 1 1 22 ARG HG3 H 3.417 7.554 4.175 1.00 . A A . 22 ARG HG3 1 1
3 1109 1 1 22 ARG HH11 H 4.272 11.726 2.440 1.00 . A A . 22 ARG HH11 1 1
3 1110 1 1 22 ARG HH12 H 5.131 12.983 3.271 1.00 . A A . 22 ARG HH12 1 1
3 1111 1 1 22 ARG HH21 H 6.031 12.593 5.342 1.00 . A A . 22 ARG HH21 1 1
3 1112 1 1 22 ARG HH22 H 5.854 11.036 6.093 1.00 . A A . 22 ARG HH22 1 1
3 1113 1 1 22 ARG N N 6.488 5.335 2.578 1.00 . A A . 22 ARG N 1 1
3 1114 1 1 22 ARG NE N 4.545 9.968 4.237 1.00 . A A . 22 ARG NE 1 1
3 1115 1 1 22 ARG NH1 N 4.784 12.041 3.242 1.00 . A A . 22 ARG NH1 1 1
3 1116 1 1 22 ARG NH2 N 5.685 11.651 5.316 1.00 . A A . 22 ARG NH2 1 1
3 1117 1 1 22 ARG O O 4.506 4.699 0.885 1.00 . A A . 22 ARG O 1 1
3 1118 1 1 23 TYR C C 0.510 5.046 1.865 1.00 . A A . 23 TYR C 1 1
3 1119 1 1 23 TYR CA C 1.868 4.456 1.529 1.00 . A A . 23 TYR CA 1 1
3 1120 1 1 23 TYR CB C 1.813 2.928 1.606 1.00 . A A . 23 TYR CB 1 1
3 1121 1 1 23 TYR CD1 C 0.087 2.124 3.264 1.00 . A A . 23 TYR CD1 1 1
3 1122 1 1 23 TYR CD2 C 2.379 2.086 3.917 1.00 . A A . 23 TYR CD2 1 1
3 1123 1 1 23 TYR CE1 C -0.276 1.604 4.488 1.00 . A A . 23 TYR CE1 1 1
3 1124 1 1 23 TYR CE2 C 2.023 1.567 5.147 1.00 . A A . 23 TYR CE2 1 1
3 1125 1 1 23 TYR CG C 1.419 2.374 2.957 1.00 . A A . 23 TYR CG 1 1
3 1126 1 1 23 TYR CZ C 0.693 1.328 5.426 1.00 . A A . 23 TYR CZ 1 1
3 1127 1 1 23 TYR H H 2.673 5.224 3.326 1.00 . A A . 23 TYR H 1 1
3 1128 1 1 23 TYR HA H 2.122 4.741 0.521 1.00 . A A . 23 TYR HA 1 1
3 1129 1 1 23 TYR HB2 H 1.097 2.568 0.885 1.00 . A A . 23 TYR HB2 1 1
3 1130 1 1 23 TYR HB3 H 2.786 2.533 1.359 1.00 . A A . 23 TYR HB3 1 1
3 1131 1 1 23 TYR HD1 H -0.672 2.348 2.527 1.00 . A A . 23 TYR HD1 1 1
3 1132 1 1 23 TYR HD2 H 3.417 2.278 3.694 1.00 . A A . 23 TYR HD2 1 1
3 1133 1 1 23 TYR HE1 H -1.317 1.417 4.706 1.00 . A A . 23 TYR HE1 1 1
3 1134 1 1 23 TYR HE2 H 2.784 1.352 5.882 1.00 . A A . 23 TYR HE2 1 1
3 1135 1 1 23 TYR HH H 0.850 1.230 7.338 1.00 . A A . 23 TYR HH 1 1
3 1136 1 1 23 TYR N N 2.899 4.980 2.404 1.00 . A A . 23 TYR N 1 1
3 1137 1 1 23 TYR O O 0.253 5.449 3.001 1.00 . A A . 23 TYR O 1 1
3 1138 1 1 23 TYR OH O 0.331 0.806 6.645 1.00 . A A . 23 TYR OH 1 1
3 1139 1 1 24 GLU C C -2.610 4.277 1.042 1.00 . A A . 24 GLU C 1 1
3 1140 1 1 24 GLU CA C -1.722 5.507 1.039 1.00 . A A . 24 GLU CA 1 1
3 1141 1 1 24 GLU CB C -2.182 6.434 -0.085 1.00 . A A . 24 GLU CB 1 1
3 1142 1 1 24 GLU CD C -2.241 8.743 -1.046 1.00 . A A . 24 GLU CD 1 1
3 1143 1 1 24 GLU CG C -1.561 7.815 -0.064 1.00 . A A . 24 GLU CG 1 1
3 1144 1 1 24 GLU H H -0.026 4.859 -0.039 1.00 . A A . 24 GLU H 1 1
3 1145 1 1 24 GLU HA H -1.810 6.014 1.986 1.00 . A A . 24 GLU HA 1 1
3 1146 1 1 24 GLU HB2 H -1.943 5.973 -1.029 1.00 . A A . 24 GLU HB2 1 1
3 1147 1 1 24 GLU HB3 H -3.253 6.549 -0.018 1.00 . A A . 24 GLU HB3 1 1
3 1148 1 1 24 GLU HG2 H -1.654 8.228 0.929 1.00 . A A . 24 GLU HG2 1 1
3 1149 1 1 24 GLU HG3 H -0.516 7.734 -0.328 1.00 . A A . 24 GLU HG3 1 1
3 1150 1 1 24 GLU N N -0.339 5.105 0.858 1.00 . A A . 24 GLU N 1 1
3 1151 1 1 24 GLU O O -2.311 3.308 0.359 1.00 . A A . 24 GLU O 1 1
3 1152 1 1 24 GLU OE1 O -3.381 9.175 -0.764 1.00 . A A . 24 GLU OE1 1 1
3 1153 1 1 24 GLU OE2 O -1.656 9.036 -2.105 1.00 . A A . 24 GLU OE2 1 1
3 1154 1 1 25 MVA C C -6.109 3.664 1.872 1.00 . A A . 25 MVA C 1 1
3 1155 1 1 25 MVA CA C -4.667 3.176 1.735 1.00 . A A . 25 MVA CA 1 1
3 1156 1 1 25 MVA CB C -4.361 2.065 2.783 1.00 . A A . 25 MVA CB 1 1
3 1157 1 1 25 MVA CG1 C -4.200 2.613 4.192 1.00 . A A . 25 MVA CG1 1 1
3 1158 1 1 25 MVA CG2 C -5.446 1.003 2.746 1.00 . A A . 25 MVA CG2 1 1
3 1159 1 1 25 MVA CN C -3.984 5.450 2.675 1.00 . A A . 25 MVA CN 1 1
3 1160 1 1 25 MVA HA H -4.592 2.710 0.760 1.00 . A A . 25 MVA HA 1 1
3 1161 1 1 25 MVA HB H -3.430 1.593 2.506 1.00 . A A . 25 MVA HB 1 1
3 1162 1 1 25 MVA HG11 H -4.043 1.794 4.879 1.00 . A A . 25 MVA HG11 1 1
3 1163 1 1 25 MVA HG12 H -5.090 3.153 4.472 1.00 . A A . 25 MVA HG12 1 1
3 1164 1 1 25 MVA HG13 H -3.348 3.277 4.222 1.00 . A A . 25 MVA HG13 1 1
3 1165 1 1 25 MVA HG21 H -6.403 1.462 2.948 1.00 . A A . 25 MVA HG21 1 1
3 1166 1 1 25 MVA HG22 H -5.240 0.253 3.494 1.00 . A A . 25 MVA HG22 1 1
3 1167 1 1 25 MVA HG23 H -5.466 0.544 1.768 1.00 . A A . 25 MVA HG23 1 1
3 1168 1 1 25 MVA HN1 H -3.935 6.361 2.098 1.00 . A A . 25 MVA HN1 1 1
3 1169 1 1 25 MVA HN2 H -3.244 5.483 3.462 1.00 . A A . 25 MVA HN2 1 1
3 1170 1 1 25 MVA HN3 H -4.967 5.353 3.107 1.00 . A A . 25 MVA HN3 1 1
3 1171 1 1 25 MVA N N -3.714 4.291 1.793 1.00 . A A . 25 MVA N 1 1
3 1172 1 1 25 MVA O O -6.604 3.946 2.965 1.00 . A A . 25 MVA O 1 1
3 1173 1 1 26 HIS C C -9.139 3.178 0.622 1.00 . A A . 26 HIS C 1 1
3 1174 1 1 26 HIS CA C -8.124 4.305 0.688 1.00 . A A . 26 HIS CA 1 1
3 1175 1 1 26 HIS CB C -8.300 5.238 -0.513 1.00 . A A . 26 HIS CB 1 1
3 1176 1 1 26 HIS CD2 C -6.121 6.575 -0.974 1.00 . A A . 26 HIS CD2 1 1
3 1177 1 1 26 HIS CE1 C -6.723 8.488 -0.094 1.00 . A A . 26 HIS CE1 1 1
3 1178 1 1 26 HIS CG C -7.383 6.426 -0.502 1.00 . A A . 26 HIS CG 1 1
3 1179 1 1 26 HIS H H -6.351 3.459 -0.100 1.00 . A A . 26 HIS H 1 1
3 1180 1 1 26 HIS HA H -8.286 4.866 1.594 1.00 . A A . 26 HIS HA 1 1
3 1181 1 1 26 HIS HB2 H -8.111 4.681 -1.417 1.00 . A A . 26 HIS HB2 1 1
3 1182 1 1 26 HIS HB3 H -9.316 5.602 -0.528 1.00 . A A . 26 HIS HB3 1 1
3 1183 1 1 26 HIS HD1 H -8.590 7.862 0.472 1.00 . A A . 26 HIS HD1 1 1
3 1184 1 1 26 HIS HD2 H -5.528 5.817 -1.469 1.00 . A A . 26 HIS HD2 1 1
3 1185 1 1 26 HIS HE1 H -6.712 9.515 0.238 1.00 . A A . 26 HIS HE1 1 1
3 1186 1 1 26 HIS HE2 H -4.856 8.266 -0.921 1.00 . A A . 26 HIS HE2 1 1
3 1187 1 1 26 HIS N N -6.774 3.770 0.733 1.00 . A A . 26 HIS N 1 1
3 1188 1 1 26 HIS ND1 N -7.730 7.644 0.044 1.00 . A A . 26 HIS ND1 1 1
3 1189 1 1 26 HIS NE2 N -5.736 7.864 -0.705 1.00 . A A . 26 HIS NE2 1 1
3 1190 1 1 26 HIS O O -9.215 2.453 -0.371 1.00 . A A . 26 HIS O 1 1
3 1191 1 1 27 CYS C C -12.283 2.567 1.460 1.00 . A A . 27 CYS C 1 1
3 1192 1 1 27 CYS CA C -10.908 1.991 1.773 1.00 . A A . 27 CYS CA 1 1
3 1193 1 1 27 CYS CB C -10.898 1.379 3.172 1.00 . A A . 27 CYS CB 1 1
3 1194 1 1 27 CYS H H -9.778 3.634 2.445 1.00 . A A . 27 CYS H 1 1
3 1195 1 1 27 CYS HA H -10.668 1.226 1.049 1.00 . A A . 27 CYS HA 1 1
3 1196 1 1 27 CYS HB2 H -11.214 2.127 3.884 1.00 . A A . 27 CYS HB2 1 1
3 1197 1 1 27 CYS HB3 H -11.588 0.550 3.198 1.00 . A A . 27 CYS HB3 1 1
3 1198 1 1 27 CYS N N -9.900 3.027 1.686 1.00 . A A . 27 CYS N 1 1
3 1199 1 1 27 CYS O O -13.027 2.958 2.358 1.00 . A A . 27 CYS O 1 1
3 1200 1 1 27 CYS SG S -9.263 0.766 3.699 1.00 . A A . 27 CYS SG 1 1
3 1201 1 1 28 NH2 HN1 H -11.974 2.305 -0.483 1.00 . A A . 28 NH2 HN1 1 1
3 1202 1 1 28 NH2 HN2 H -13.487 3.012 -0.046 1.00 . A A . 28 NH2 HN2 1 1
3 1203 1 1 28 NH2 N N -12.615 2.635 0.183 1.00 . A A . 28 NH2 N 1 1
4 1204 1 1 1 ASN C C 8.223 -8.857 -1.841 1.00 . A A . 1 ASN C 1 1
4 1205 1 1 1 ASN CA C 7.752 -10.306 -1.943 1.00 . A A . 1 ASN CA 1 1
4 1206 1 1 1 ASN CB C 7.274 -10.805 -0.573 1.00 . A A . 1 ASN CB 1 1
4 1207 1 1 1 ASN CG C 5.932 -10.230 -0.154 1.00 . A A . 1 ASN CG 1 1
4 1208 1 1 1 ASN H1 H 9.187 -10.830 -3.358 1.00 . A A . 1 ASN H1 1 1
4 1209 1 1 1 ASN H2 H 8.554 -12.144 -2.508 1.00 . A A . 1 ASN H2 1 1
4 1210 1 1 1 ASN H3 H 9.663 -11.110 -1.762 1.00 . A A . 1 ASN H3 1 1
4 1211 1 1 1 ASN HA H 6.939 -10.366 -2.654 1.00 . A A . 1 ASN HA 1 1
4 1212 1 1 1 ASN HB2 H 7.186 -11.880 -0.602 1.00 . A A . 1 ASN HB2 1 1
4 1213 1 1 1 ASN HB3 H 8.007 -10.531 0.172 1.00 . A A . 1 ASN HB3 1 1
4 1214 1 1 1 ASN HD21 H 5.557 -11.854 0.926 1.00 . A A . 1 ASN HD21 1 1
4 1215 1 1 1 ASN HD22 H 4.325 -10.641 0.935 1.00 . A A . 1 ASN HD22 1 1
4 1216 1 1 1 ASN N N 8.865 -11.158 -2.427 1.00 . A A . 1 ASN N 1 1
4 1217 1 1 1 ASN ND2 N 5.198 -10.982 0.649 1.00 . A A . 1 ASN ND2 1 1
4 1218 1 1 1 ASN O O 9.293 -8.584 -1.301 1.00 . A A . 1 ASN O 1 1
4 1219 1 1 1 ASN OD1 O 5.559 -9.125 -0.538 1.00 . A A . 1 ASN OD1 1 1
4 1220 1 1 2 ASP C C 6.891 -5.760 -1.396 1.00 . A A . 2 ASP C 1 1
4 1221 1 1 2 ASP CA C 7.790 -6.518 -2.354 1.00 . A A . 2 ASP CA 1 1
4 1222 1 1 2 ASP CB C 7.664 -5.906 -3.752 1.00 . A A . 2 ASP CB 1 1
4 1223 1 1 2 ASP CG C 8.453 -6.653 -4.804 1.00 . A A . 2 ASP CG 1 1
4 1224 1 1 2 ASP H H 6.567 -8.200 -2.743 1.00 . A A . 2 ASP H 1 1
4 1225 1 1 2 ASP HA H 8.812 -6.435 -2.020 1.00 . A A . 2 ASP HA 1 1
4 1226 1 1 2 ASP HB2 H 6.628 -5.903 -4.043 1.00 . A A . 2 ASP HB2 1 1
4 1227 1 1 2 ASP HB3 H 8.022 -4.888 -3.721 1.00 . A A . 2 ASP HB3 1 1
4 1228 1 1 2 ASP N N 7.428 -7.932 -2.364 1.00 . A A . 2 ASP N 1 1
4 1229 1 1 2 ASP O O 5.825 -6.252 -1.033 1.00 . A A . 2 ASP O 1 1
4 1230 1 1 2 ASP OD1 O 7.862 -7.509 -5.497 1.00 . A A . 2 ASP OD1 1 1
4 1231 1 1 2 ASP OD2 O 9.664 -6.388 -4.949 1.00 . A A . 2 ASP OD2 1 1
4 1232 1 1 3 ABA C C 5.121 -3.533 -0.659 1.00 . A A . 3 AIB C 1 1
4 1233 1 1 3 ABA CA C 6.536 -3.703 -0.102 1.00 . A A . 3 AIB CA 1 1
4 1234 1 1 3 ABA H H 8.178 -4.231 -1.343 1.00 . A A . 3 AIB H 1 1
4 1235 1 1 3 ABA N N 7.315 -4.556 -1.010 1.00 . A A . 3 AIB N 1 1
4 1236 1 1 3 ABA O O 4.134 -3.745 0.043 1.00 . A A . 3 AIB O 1 1
4 1237 1 1 4 CYS C C 2.903 -4.219 -2.573 1.00 . A A . 4 CYS C 1 1
4 1238 1 1 4 CYS CA C 3.754 -2.955 -2.591 1.00 . A A . 4 CYS CA 1 1
4 1239 1 1 4 CYS CB C 3.968 -2.484 -4.028 1.00 . A A . 4 CYS CB 1 1
4 1240 1 1 4 CYS H H 5.862 -3.049 -2.453 1.00 . A A . 4 CYS H 1 1
4 1241 1 1 4 CYS HA H 3.235 -2.183 -2.045 1.00 . A A . 4 CYS HA 1 1
4 1242 1 1 4 CYS HB2 H 4.527 -3.232 -4.567 1.00 . A A . 4 CYS HB2 1 1
4 1243 1 1 4 CYS HB3 H 3.008 -2.351 -4.501 1.00 . A A . 4 CYS HB3 1 1
4 1244 1 1 4 CYS N N 5.038 -3.174 -1.937 1.00 . A A . 4 CYS N 1 1
4 1245 1 1 4 CYS O O 1.699 -4.160 -2.332 1.00 . A A . 4 CYS O 1 1
4 1246 1 1 4 CYS SG S 4.876 -0.911 -4.163 1.00 . A A . 4 CYS SG 1 1
4 1247 1 1 5 LYS C C 2.248 -6.932 -1.457 1.00 . A A . 5 LYS C 1 1
4 1248 1 1 5 LYS CA C 2.851 -6.641 -2.823 1.00 . A A . 5 LYS CA 1 1
4 1249 1 1 5 LYS CB C 3.824 -7.762 -3.208 1.00 . A A . 5 LYS CB 1 1
4 1250 1 1 5 LYS CD C 3.720 -7.842 -5.731 1.00 . A A . 5 LYS CD 1 1
4 1251 1 1 5 LYS CE C 4.439 -7.473 -7.020 1.00 . A A . 5 LYS CE 1 1
4 1252 1 1 5 LYS CG C 4.569 -7.518 -4.513 1.00 . A A . 5 LYS CG 1 1
4 1253 1 1 5 LYS H H 4.512 -5.340 -2.937 1.00 . A A . 5 LYS H 1 1
4 1254 1 1 5 LYS HA H 2.059 -6.583 -3.552 1.00 . A A . 5 LYS HA 1 1
4 1255 1 1 5 LYS HB2 H 4.553 -7.871 -2.419 1.00 . A A . 5 LYS HB2 1 1
4 1256 1 1 5 LYS HB3 H 3.270 -8.686 -3.302 1.00 . A A . 5 LYS HB3 1 1
4 1257 1 1 5 LYS HD2 H 3.507 -8.901 -5.738 1.00 . A A . 5 LYS HD2 1 1
4 1258 1 1 5 LYS HD3 H 2.796 -7.288 -5.672 1.00 . A A . 5 LYS HD3 1 1
4 1259 1 1 5 LYS HE2 H 3.833 -7.786 -7.856 1.00 . A A . 5 LYS HE2 1 1
4 1260 1 1 5 LYS HE3 H 4.569 -6.401 -7.052 1.00 . A A . 5 LYS HE3 1 1
4 1261 1 1 5 LYS HG2 H 4.855 -6.478 -4.561 1.00 . A A . 5 LYS HG2 1 1
4 1262 1 1 5 LYS HG3 H 5.455 -8.136 -4.531 1.00 . A A . 5 LYS HG3 1 1
4 1263 1 1 5 LYS HZ1 H 5.678 -9.156 -7.031 1.00 . A A . 5 LYS HZ1 1 1
4 1264 1 1 5 LYS HZ2 H 6.411 -7.776 -6.376 1.00 . A A . 5 LYS HZ2 1 1
4 1265 1 1 5 LYS HZ3 H 6.201 -7.913 -8.050 1.00 . A A . 5 LYS HZ3 1 1
4 1266 1 1 5 LYS N N 3.544 -5.359 -2.798 1.00 . A A . 5 LYS N 1 1
4 1267 1 1 5 LYS NZ N 5.773 -8.125 -7.124 1.00 . A A . 5 LYS NZ 1 1
4 1268 1 1 5 LYS O O 1.058 -7.240 -1.341 1.00 . A A . 5 LYS O 1 1
4 1269 1 1 6 ABA C C 1.536 -6.139 1.342 1.00 . A A . 6 AIB C 1 1
4 1270 1 1 6 ABA CA C 2.689 -7.065 0.953 1.00 . A A . 6 AIB CA 1 1
4 1271 1 1 6 ABA H H 4.009 -6.521 -0.610 1.00 . A A . 6 AIB H 1 1
4 1272 1 1 6 ABA N N 3.085 -6.804 -0.430 1.00 . A A . 6 AIB N 1 1
4 1273 1 1 6 ABA O O 0.563 -6.568 1.963 1.00 . A A . 6 AIB O 1 1
4 1274 1 1 7 LEU C C -0.671 -4.163 0.639 1.00 . A A . 7 LEU C 1 1
4 1275 1 1 7 LEU CA C 0.656 -3.870 1.316 1.00 . A A . 7 LEU CA 1 1
4 1276 1 1 7 LEU CB C 1.127 -2.466 0.934 1.00 . A A . 7 LEU CB 1 1
4 1277 1 1 7 LEU CD1 C 2.820 -0.630 1.116 1.00 . A A . 7 LEU CD1 1 1
4 1278 1 1 7 LEU CD2 C 2.016 -1.779 3.175 1.00 . A A . 7 LEU CD2 1 1
4 1279 1 1 7 LEU CG C 2.347 -1.949 1.701 1.00 . A A . 7 LEU CG 1 1
4 1280 1 1 7 LEU H H 2.441 -4.595 0.441 1.00 . A A . 7 LEU H 1 1
4 1281 1 1 7 LEU HA H 0.512 -3.911 2.383 1.00 . A A . 7 LEU HA 1 1
4 1282 1 1 7 LEU HB2 H 1.363 -2.465 -0.118 1.00 . A A . 7 LEU HB2 1 1
4 1283 1 1 7 LEU HB3 H 0.311 -1.780 1.101 1.00 . A A . 7 LEU HB3 1 1
4 1284 1 1 7 LEU HD11 H 3.134 -0.779 0.095 1.00 . A A . 7 LEU HD11 1 1
4 1285 1 1 7 LEU HD12 H 3.650 -0.256 1.696 1.00 . A A . 7 LEU HD12 1 1
4 1286 1 1 7 LEU HD13 H 2.012 0.085 1.143 1.00 . A A . 7 LEU HD13 1 1
4 1287 1 1 7 LEU HD21 H 2.881 -1.401 3.697 1.00 . A A . 7 LEU HD21 1 1
4 1288 1 1 7 LEU HD22 H 1.731 -2.733 3.593 1.00 . A A . 7 LEU HD22 1 1
4 1289 1 1 7 LEU HD23 H 1.198 -1.082 3.280 1.00 . A A . 7 LEU HD23 1 1
4 1290 1 1 7 LEU HG H 3.151 -2.665 1.615 1.00 . A A . 7 LEU HG 1 1
4 1291 1 1 7 LEU N N 1.657 -4.868 0.968 1.00 . A A . 7 LEU N 1 1
4 1292 1 1 7 LEU O O -1.715 -4.143 1.282 1.00 . A A . 7 LEU O 1 1
4 1293 1 1 8 LYS C C -2.554 -5.948 -0.919 1.00 . A A . 8 LYS C 1 1
4 1294 1 1 8 LYS CA C -1.855 -4.689 -1.406 1.00 . A A . 8 LYS CA 1 1
4 1295 1 1 8 LYS CB C -1.575 -4.775 -2.907 1.00 . A A . 8 LYS CB 1 1
4 1296 1 1 8 LYS CD C -1.050 -3.534 -5.030 1.00 . A A . 8 LYS CD 1 1
4 1297 1 1 8 LYS CE C -0.616 -2.205 -5.627 1.00 . A A . 8 LYS CE 1 1
4 1298 1 1 8 LYS CG C -1.150 -3.450 -3.519 1.00 . A A . 8 LYS CG 1 1
4 1299 1 1 8 LYS H H 0.237 -4.500 -1.114 1.00 . A A . 8 LYS H 1 1
4 1300 1 1 8 LYS HA H -2.509 -3.850 -1.226 1.00 . A A . 8 LYS HA 1 1
4 1301 1 1 8 LYS HB2 H -0.787 -5.495 -3.073 1.00 . A A . 8 LYS HB2 1 1
4 1302 1 1 8 LYS HB3 H -2.470 -5.111 -3.411 1.00 . A A . 8 LYS HB3 1 1
4 1303 1 1 8 LYS HD2 H -0.325 -4.290 -5.290 1.00 . A A . 8 LYS HD2 1 1
4 1304 1 1 8 LYS HD3 H -2.015 -3.803 -5.432 1.00 . A A . 8 LYS HD3 1 1
4 1305 1 1 8 LYS HE2 H -1.298 -1.436 -5.297 1.00 . A A . 8 LYS HE2 1 1
4 1306 1 1 8 LYS HE3 H 0.380 -1.976 -5.277 1.00 . A A . 8 LYS HE3 1 1
4 1307 1 1 8 LYS HG2 H -1.877 -2.695 -3.260 1.00 . A A . 8 LYS HG2 1 1
4 1308 1 1 8 LYS HG3 H -0.186 -3.173 -3.118 1.00 . A A . 8 LYS HG3 1 1
4 1309 1 1 8 LYS HZ1 H -0.312 -1.319 -7.490 1.00 . A A . 8 LYS HZ1 1 1
4 1310 1 1 8 LYS HZ2 H -1.563 -2.454 -7.468 1.00 . A A . 8 LYS HZ2 1 1
4 1311 1 1 8 LYS HZ3 H 0.046 -2.972 -7.452 1.00 . A A . 8 LYS HZ3 1 1
4 1312 1 1 8 LYS N N -0.632 -4.447 -0.656 1.00 . A A . 8 LYS N 1 1
4 1313 1 1 8 LYS NZ N -0.611 -2.239 -7.111 1.00 . A A . 8 LYS NZ 1 1
4 1314 1 1 8 LYS O O -3.774 -5.951 -0.751 1.00 . A A . 8 LYS O 1 1
4 1315 1 1 9 ABA C C -2.918 -8.028 1.228 1.00 . A A . 9 AIB C 1 1
4 1316 1 1 9 ABA CA C -2.299 -8.269 -0.155 1.00 . A A . 9 AIB CA 1 1
4 1317 1 1 9 ABA H H -0.807 -6.928 -0.861 1.00 . A A . 9 AIB H 1 1
4 1318 1 1 9 ABA N N -1.773 -7.002 -0.679 1.00 . A A . 9 AIB N 1 1
4 1319 1 1 9 ABA O O -4.008 -8.514 1.532 1.00 . A A . 9 AIB O 1 1
4 1320 1 1 10 ARG C C -3.931 -6.159 3.409 1.00 . A A . 10 ARG C 1 1
4 1321 1 1 10 ARG CA C -2.640 -6.967 3.413 1.00 . A A . 10 ARG CA 1 1
4 1322 1 1 10 ARG CB C -1.544 -6.189 4.145 1.00 . A A . 10 ARG CB 1 1
4 1323 1 1 10 ARG CD C -0.843 -4.861 6.142 1.00 . A A . 10 ARG CD 1 1
4 1324 1 1 10 ARG CG C -1.940 -5.710 5.524 1.00 . A A . 10 ARG CG 1 1
4 1325 1 1 10 ARG CZ C -0.568 -3.271 8.007 1.00 . A A . 10 ARG CZ 1 1
4 1326 1 1 10 ARG H H -1.351 -6.893 1.738 1.00 . A A . 10 ARG H 1 1
4 1327 1 1 10 ARG HA H -2.812 -7.900 3.923 1.00 . A A . 10 ARG HA 1 1
4 1328 1 1 10 ARG HB2 H -0.677 -6.824 4.245 1.00 . A A . 10 ARG HB2 1 1
4 1329 1 1 10 ARG HB3 H -1.277 -5.325 3.553 1.00 . A A . 10 ARG HB3 1 1
4 1330 1 1 10 ARG HD2 H 0.002 -5.496 6.364 1.00 . A A . 10 ARG HD2 1 1
4 1331 1 1 10 ARG HD3 H -0.546 -4.107 5.428 1.00 . A A . 10 ARG HD3 1 1
4 1332 1 1 10 ARG HE H -2.150 -4.478 7.745 1.00 . A A . 10 ARG HE 1 1
4 1333 1 1 10 ARG HG2 H -2.840 -5.119 5.444 1.00 . A A . 10 ARG HG2 1 1
4 1334 1 1 10 ARG HG3 H -2.122 -6.568 6.154 1.00 . A A . 10 ARG HG3 1 1
4 1335 1 1 10 ARG HH11 H 1.153 -2.196 8.013 1.00 . A A . 10 ARG HH11 1 1
4 1336 1 1 10 ARG HH12 H 0.990 -3.329 6.709 1.00 . A A . 10 ARG HH12 1 1
4 1337 1 1 10 ARG HH21 H -1.936 -2.991 9.479 1.00 . A A . 10 ARG HH21 1 1
4 1338 1 1 10 ARG HH22 H -0.508 -2.011 9.595 1.00 . A A . 10 ARG HH22 1 1
4 1339 1 1 10 ARG N N -2.204 -7.267 2.054 1.00 . A A . 10 ARG N 1 1
4 1340 1 1 10 ARG NE N -1.278 -4.206 7.374 1.00 . A A . 10 ARG NE 1 1
4 1341 1 1 10 ARG NH1 N 0.617 -2.901 7.537 1.00 . A A . 10 ARG NH1 1 1
4 1342 1 1 10 ARG NH2 N -1.043 -2.714 9.114 1.00 . A A . 10 ARG NH2 1 1
4 1343 1 1 10 ARG O O -4.863 -6.442 4.162 1.00 . A A . 10 ARG O 1 1
4 1344 1 1 11 TYR C C -6.105 -4.775 1.412 1.00 . A A . 11 TYR C 1 1
4 1345 1 1 11 TYR CA C -5.128 -4.278 2.465 1.00 . A A . 11 TYR CA 1 1
4 1346 1 1 11 TYR CB C -4.671 -2.854 2.164 1.00 . A A . 11 TYR CB 1 1
4 1347 1 1 11 TYR CD1 C -4.651 -1.705 4.412 1.00 . A A . 11 TYR CD1 1 1
4 1348 1 1 11 TYR CD2 C -2.570 -2.095 3.322 1.00 . A A . 11 TYR CD2 1 1
4 1349 1 1 11 TYR CE1 C -3.991 -1.103 5.464 1.00 . A A . 11 TYR CE1 1 1
4 1350 1 1 11 TYR CE2 C -1.902 -1.499 4.371 1.00 . A A . 11 TYR CE2 1 1
4 1351 1 1 11 TYR CG C -3.953 -2.210 3.325 1.00 . A A . 11 TYR CG 1 1
4 1352 1 1 11 TYR CZ C -2.650 -1.046 5.484 1.00 . A A . 11 TYR CZ 1 1
4 1353 1 1 11 TYR H H -3.222 -5.014 1.942 1.00 . A A . 11 TYR H 1 1
4 1354 1 1 11 TYR HA H -5.620 -4.290 3.426 1.00 . A A . 11 TYR HA 1 1
4 1355 1 1 11 TYR HB2 H -3.996 -2.867 1.321 1.00 . A A . 11 TYR HB2 1 1
4 1356 1 1 11 TYR HB3 H -5.529 -2.251 1.926 1.00 . A A . 11 TYR HB3 1 1
4 1357 1 1 11 TYR HD1 H -5.730 -1.787 4.429 1.00 . A A . 11 TYR HD1 1 1
4 1358 1 1 11 TYR HD2 H -2.015 -2.483 2.482 1.00 . A A . 11 TYR HD2 1 1
4 1359 1 1 11 TYR HE1 H -4.552 -0.716 6.300 1.00 . A A . 11 TYR HE1 1 1
4 1360 1 1 11 TYR HE2 H -0.826 -1.421 4.350 1.00 . A A . 11 TYR HE2 1 1
4 1361 1 1 11 TYR HH H -1.202 0.098 6.140 1.00 . A A . 11 TYR HH 1 1
4 1362 1 1 11 TYR N N -3.981 -5.160 2.550 1.00 . A A . 11 TYR N 1 1
4 1363 1 1 11 TYR O O -6.477 -4.043 0.491 1.00 . A A . 11 TYR O 1 1
4 1364 1 1 11 TYR OH O -1.950 -0.407 6.484 1.00 . A A . 11 TYR OH 1 1
4 1365 1 1 12 ABA C C -8.714 -5.802 0.535 1.00 . A A . 12 AIB C 1 1
4 1366 1 1 12 ABA CA C -7.467 -6.685 0.680 1.00 . A A . 12 AIB CA 1 1
4 1367 1 1 12 ABA H H -6.122 -6.554 2.308 1.00 . A A . 12 AIB H 1 1
4 1368 1 1 12 ABA N N -6.502 -6.035 1.567 1.00 . A A . 12 AIB N 1 1
4 1369 1 1 12 ABA O O -9.327 -5.412 1.531 1.00 . A A . 12 AIB O 1 1
4 1370 1 1 13 GLY C C -10.004 -3.199 -0.968 1.00 . A A . 13 GLY C 1 1
4 1371 1 1 13 GLY CA C -10.258 -4.692 -0.950 1.00 . A A . 13 GLY CA 1 1
4 1372 1 1 13 GLY H H -8.496 -5.747 -1.451 1.00 . A A . 13 GLY H 1 1
4 1373 1 1 13 GLY HA2 H -10.667 -4.987 -1.904 1.00 . A A . 13 GLY HA2 1 1
4 1374 1 1 13 GLY HA3 H -10.980 -4.914 -0.178 1.00 . A A . 13 GLY HA3 1 1
4 1375 1 1 13 GLY N N -9.060 -5.466 -0.700 1.00 . A A . 13 GLY N 1 1
4 1376 1 1 13 GLY O O -10.866 -2.423 -1.381 1.00 . A A . 13 GLY O 1 1
4 1377 1 1 14 CYS C C -7.341 -1.067 -1.409 1.00 . A A . 14 CYS C 1 1
4 1378 1 1 14 CYS CA C -8.487 -1.383 -0.461 1.00 . A A . 14 CYS CA 1 1
4 1379 1 1 14 CYS CB C -8.093 -1.006 0.965 1.00 . A A . 14 CYS CB 1 1
4 1380 1 1 14 CYS H H -8.159 -3.457 -0.242 1.00 . A A . 14 CYS H 1 1
4 1381 1 1 14 CYS HA H -9.356 -0.813 -0.752 1.00 . A A . 14 CYS HA 1 1
4 1382 1 1 14 CYS HB2 H -7.129 -1.430 1.184 1.00 . A A . 14 CYS HB2 1 1
4 1383 1 1 14 CYS HB3 H -8.034 0.070 1.040 1.00 . A A . 14 CYS HB3 1 1
4 1384 1 1 14 CYS N N -8.826 -2.792 -0.528 1.00 . A A . 14 CYS N 1 1
4 1385 1 1 14 CYS O O -6.504 -1.923 -1.694 1.00 . A A . 14 CYS O 1 1
4 1386 1 1 14 CYS SG S -9.260 -1.586 2.238 1.00 . A A . 14 CYS SG 1 1
4 1387 1 1 15 GLU C C -5.119 1.178 -1.958 1.00 . A A . 15 GLU C 1 1
4 1388 1 1 15 GLU CA C -6.264 0.612 -2.784 1.00 . A A . 15 GLU CA 1 1
4 1389 1 1 15 GLU CB C -6.803 1.686 -3.728 1.00 . A A . 15 GLU CB 1 1
4 1390 1 1 15 GLU CD C -8.604 2.387 -5.335 1.00 . A A . 15 GLU CD 1 1
4 1391 1 1 15 GLU CG C -8.020 1.255 -4.521 1.00 . A A . 15 GLU CG 1 1
4 1392 1 1 15 GLU H H -8.017 0.792 -1.626 1.00 . A A . 15 GLU H 1 1
4 1393 1 1 15 GLU HA H -5.913 -0.232 -3.356 1.00 . A A . 15 GLU HA 1 1
4 1394 1 1 15 GLU HB2 H -7.071 2.555 -3.144 1.00 . A A . 15 GLU HB2 1 1
4 1395 1 1 15 GLU HB3 H -6.024 1.959 -4.425 1.00 . A A . 15 GLU HB3 1 1
4 1396 1 1 15 GLU HG2 H -7.734 0.459 -5.192 1.00 . A A . 15 GLU HG2 1 1
4 1397 1 1 15 GLU HG3 H -8.773 0.894 -3.837 1.00 . A A . 15 GLU HG3 1 1
4 1398 1 1 15 GLU N N -7.316 0.160 -1.893 1.00 . A A . 15 GLU N 1 1
4 1399 1 1 15 GLU O O -5.362 1.836 -0.947 1.00 . A A . 15 GLU O 1 1
4 1400 1 1 15 GLU OE1 O -9.113 3.355 -4.735 1.00 . A A . 15 GLU OE1 1 1
4 1401 1 1 15 GLU OE2 O -8.552 2.313 -6.581 1.00 . A A . 15 GLU OE2 1 1
4 1402 1 1 16 MVA C C -1.556 1.921 -2.414 1.00 . A A . 16 MVA C 1 1
4 1403 1 1 16 MVA CA C -2.734 1.444 -1.557 1.00 . A A . 16 MVA CA 1 1
4 1404 1 1 16 MVA CB C -2.256 0.402 -0.503 1.00 . A A . 16 MVA CB 1 1
4 1405 1 1 16 MVA CG1 C -1.870 -0.927 -1.126 1.00 . A A . 16 MVA CG1 1 1
4 1406 1 1 16 MVA CG2 C -1.097 0.958 0.304 1.00 . A A . 16 MVA CG2 1 1
4 1407 1 1 16 MVA CN C -3.617 0.222 -3.625 1.00 . A A . 16 MVA CN 1 1
4 1408 1 1 16 MVA HA H -3.070 2.309 -0.997 1.00 . A A . 16 MVA HA 1 1
4 1409 1 1 16 MVA HB H -3.072 0.217 0.179 1.00 . A A . 16 MVA HB 1 1
4 1410 1 1 16 MVA HG11 H -2.731 -1.357 -1.615 1.00 . A A . 16 MVA HG11 1 1
4 1411 1 1 16 MVA HG12 H -1.521 -1.597 -0.354 1.00 . A A . 16 MVA HG12 1 1
4 1412 1 1 16 MVA HG13 H -1.084 -0.769 -1.851 1.00 . A A . 16 MVA HG13 1 1
4 1413 1 1 16 MVA HG21 H -0.255 1.131 -0.351 1.00 . A A . 16 MVA HG21 1 1
4 1414 1 1 16 MVA HG22 H -0.818 0.250 1.071 1.00 . A A . 16 MVA HG22 1 1
4 1415 1 1 16 MVA HG23 H -1.393 1.889 0.762 1.00 . A A . 16 MVA HG23 1 1
4 1416 1 1 16 MVA HN1 H -4.267 0.610 -4.393 1.00 . A A . 16 MVA HN1 1 1
4 1417 1 1 16 MVA HN2 H -3.814 -0.830 -3.482 1.00 . A A . 16 MVA HN2 1 1
4 1418 1 1 16 MVA HN3 H -2.587 0.358 -3.924 1.00 . A A . 16 MVA HN3 1 1
4 1419 1 1 16 MVA N N -3.862 0.948 -2.357 1.00 . A A . 16 MVA N 1 1
4 1420 1 1 16 MVA O O -0.841 1.136 -3.048 1.00 . A A . 16 MVA O 1 1
4 1421 1 1 17 ARG C C 1.004 3.682 -2.334 1.00 . A A . 17 ARG C 1 1
4 1422 1 1 17 ARG CA C -0.274 3.861 -3.129 1.00 . A A . 17 ARG CA 1 1
4 1423 1 1 17 ARG CB C -0.558 5.349 -3.325 1.00 . A A . 17 ARG CB 1 1
4 1424 1 1 17 ARG CD C -2.211 7.125 -3.982 1.00 . A A . 17 ARG CD 1 1
4 1425 1 1 17 ARG CG C -1.920 5.633 -3.930 1.00 . A A . 17 ARG CG 1 1
4 1426 1 1 17 ARG CZ C -4.379 8.309 -3.999 1.00 . A A . 17 ARG CZ 1 1
4 1427 1 1 17 ARG H H -1.982 3.794 -1.896 1.00 . A A . 17 ARG H 1 1
4 1428 1 1 17 ARG HA H -0.172 3.380 -4.089 1.00 . A A . 17 ARG HA 1 1
4 1429 1 1 17 ARG HB2 H -0.501 5.843 -2.369 1.00 . A A . 17 ARG HB2 1 1
4 1430 1 1 17 ARG HB3 H 0.194 5.760 -3.978 1.00 . A A . 17 ARG HB3 1 1
4 1431 1 1 17 ARG HD2 H -2.138 7.528 -2.981 1.00 . A A . 17 ARG HD2 1 1
4 1432 1 1 17 ARG HD3 H -1.476 7.602 -4.615 1.00 . A A . 17 ARG HD3 1 1
4 1433 1 1 17 ARG HE H -3.837 6.884 -5.299 1.00 . A A . 17 ARG HE 1 1
4 1434 1 1 17 ARG HG2 H -1.945 5.235 -4.933 1.00 . A A . 17 ARG HG2 1 1
4 1435 1 1 17 ARG HG3 H -2.675 5.147 -3.330 1.00 . A A . 17 ARG HG3 1 1
4 1436 1 1 17 ARG HH11 H -4.649 9.705 -2.557 1.00 . A A . 17 ARG HH11 1 1
4 1437 1 1 17 ARG HH12 H -3.114 8.889 -2.512 1.00 . A A . 17 ARG HH12 1 1
4 1438 1 1 17 ARG HH21 H -5.856 7.955 -5.344 1.00 . A A . 17 ARG HH21 1 1
4 1439 1 1 17 ARG HH22 H -6.206 9.180 -4.163 1.00 . A A . 17 ARG HH22 1 1
4 1440 1 1 17 ARG N N -1.368 3.231 -2.414 1.00 . A A . 17 ARG N 1 1
4 1441 1 1 17 ARG NE N -3.548 7.404 -4.510 1.00 . A A . 17 ARG NE 1 1
4 1442 1 1 17 ARG NH1 N -4.020 9.024 -2.939 1.00 . A A . 17 ARG NH1 1 1
4 1443 1 1 17 ARG NH2 N -5.575 8.496 -4.545 1.00 . A A . 17 ARG NH2 1 1
4 1444 1 1 17 ARG O O 1.204 4.335 -1.311 1.00 . A A . 17 ARG O 1 1
4 1445 1 1 18 CYS C C 4.231 3.328 -2.458 1.00 . A A . 18 CYS C 1 1
4 1446 1 1 18 CYS CA C 3.057 2.441 -2.060 1.00 . A A . 18 CYS CA 1 1
4 1447 1 1 18 CYS CB C 3.399 0.972 -2.297 1.00 . A A . 18 CYS CB 1 1
4 1448 1 1 18 CYS H H 1.655 2.325 -3.632 1.00 . A A . 18 CYS H 1 1
4 1449 1 1 18 CYS HA H 2.856 2.585 -1.009 1.00 . A A . 18 CYS HA 1 1
4 1450 1 1 18 CYS HB2 H 4.378 0.767 -1.890 1.00 . A A . 18 CYS HB2 1 1
4 1451 1 1 18 CYS HB3 H 2.669 0.354 -1.797 1.00 . A A . 18 CYS HB3 1 1
4 1452 1 1 18 CYS N N 1.849 2.781 -2.788 1.00 . A A . 18 CYS N 1 1
4 1453 1 1 18 CYS O O 4.495 3.544 -3.643 1.00 . A A . 18 CYS O 1 1
4 1454 1 1 18 CYS SG S 3.419 0.495 -4.056 1.00 . A A . 18 CYS SG 1 1
4 1455 1 1 19 ASP C C 7.188 4.127 -0.645 1.00 . A A . 19 ASP C 1 1
4 1456 1 1 19 ASP CA C 6.144 4.610 -1.644 1.00 . A A . 19 ASP CA 1 1
4 1457 1 1 19 ASP CB C 5.913 6.116 -1.460 1.00 . A A . 19 ASP CB 1 1
4 1458 1 1 19 ASP CG C 5.136 6.744 -2.597 1.00 . A A . 19 ASP CG 1 1
4 1459 1 1 19 ASP H H 4.584 3.719 -0.538 1.00 . A A . 19 ASP H 1 1
4 1460 1 1 19 ASP HA H 6.500 4.423 -2.646 1.00 . A A . 19 ASP HA 1 1
4 1461 1 1 19 ASP HB2 H 5.365 6.278 -0.545 1.00 . A A . 19 ASP HB2 1 1
4 1462 1 1 19 ASP HB3 H 6.872 6.610 -1.389 1.00 . A A . 19 ASP HB3 1 1
4 1463 1 1 19 ASP N N 4.914 3.852 -1.454 1.00 . A A . 19 ASP N 1 1
4 1464 1 1 19 ASP O O 7.456 4.793 0.361 1.00 . A A . 19 ASP O 1 1
4 1465 1 1 19 ASP OD1 O 3.918 6.981 -2.433 1.00 . A A . 19 ASP OD1 1 1
4 1466 1 1 19 ASP OD2 O 5.731 6.986 -3.669 1.00 . A A . 19 ASP OD2 1 1
4 1467 1 1 20 DPR C C 8.110 2.070 1.391 1.00 . A A . 20 DPR C 1 1
4 1468 1 1 20 DPR CA C 8.736 2.322 0.017 1.00 . A A . 20 DPR CA 1 1
4 1469 1 1 20 DPR CB C 9.092 1.001 -0.664 1.00 . A A . 20 DPR CB 1 1
4 1470 1 1 20 DPR CD C 7.602 2.153 -2.128 1.00 . A A . 20 DPR CD 1 1
4 1471 1 1 20 DPR CG C 8.774 1.214 -2.104 1.00 . A A . 20 DPR CG 1 1
4 1472 1 1 20 DPR HA H 9.630 2.912 0.131 1.00 . A A . 20 DPR HA 1 1
4 1473 1 1 20 DPR HB2 H 10.141 0.790 -0.516 1.00 . A A . 20 DPR HB2 1 1
4 1474 1 1 20 DPR HB3 H 8.496 0.205 -0.243 1.00 . A A . 20 DPR HB3 1 1
4 1475 1 1 20 DPR HD2 H 7.639 2.778 -3.007 1.00 . A A . 20 DPR HD2 1 1
4 1476 1 1 20 DPR HD3 H 6.674 1.604 -2.091 1.00 . A A . 20 DPR HD3 1 1
4 1477 1 1 20 DPR HG2 H 9.622 1.656 -2.607 1.00 . A A . 20 DPR HG2 1 1
4 1478 1 1 20 DPR HG3 H 8.511 0.273 -2.566 1.00 . A A . 20 DPR HG3 1 1
4 1479 1 1 20 DPR N N 7.787 2.954 -0.906 1.00 . A A . 20 DPR N 1 1
4 1480 1 1 20 DPR O O 7.156 1.299 1.519 1.00 . A A . 20 DPR O 1 1
4 1481 1 1 21 PRO C C 6.807 3.342 3.998 1.00 . A A . 21 PRO C 1 1
4 1482 1 1 21 PRO CA C 8.127 2.600 3.799 1.00 . A A . 21 PRO CA 1 1
4 1483 1 1 21 PRO CB C 9.227 3.241 4.644 1.00 . A A . 21 PRO CB 1 1
4 1484 1 1 21 PRO CD C 9.814 3.621 2.365 1.00 . A A . 21 PRO CD 1 1
4 1485 1 1 21 PRO CG C 9.859 4.234 3.736 1.00 . A A . 21 PRO CG 1 1
4 1486 1 1 21 PRO HA H 8.006 1.567 4.086 1.00 . A A . 21 PRO HA 1 1
4 1487 1 1 21 PRO HB2 H 8.790 3.716 5.510 1.00 . A A . 21 PRO HB2 1 1
4 1488 1 1 21 PRO HB3 H 9.934 2.489 4.956 1.00 . A A . 21 PRO HB3 1 1
4 1489 1 1 21 PRO HD2 H 9.671 4.382 1.614 1.00 . A A . 21 PRO HD2 1 1
4 1490 1 1 21 PRO HD3 H 10.716 3.061 2.170 1.00 . A A . 21 PRO HD3 1 1
4 1491 1 1 21 PRO HG2 H 9.297 5.155 3.755 1.00 . A A . 21 PRO HG2 1 1
4 1492 1 1 21 PRO HG3 H 10.880 4.410 4.034 1.00 . A A . 21 PRO HG3 1 1
4 1493 1 1 21 PRO N N 8.645 2.723 2.432 1.00 . A A . 21 PRO N 1 1
4 1494 1 1 21 PRO O O 6.103 3.125 4.985 1.00 . A A . 21 PRO O 1 1
4 1495 1 1 22 ARG C C 4.204 4.428 2.218 1.00 . A A . 22 ARG C 1 1
4 1496 1 1 22 ARG CA C 5.256 4.999 3.147 1.00 . A A . 22 ARG CA 1 1
4 1497 1 1 22 ARG CB C 5.527 6.457 2.784 1.00 . A A . 22 ARG CB 1 1
4 1498 1 1 22 ARG CD C 6.766 8.582 3.278 1.00 . A A . 22 ARG CD 1 1
4 1499 1 1 22 ARG CG C 6.460 7.168 3.749 1.00 . A A . 22 ARG CG 1 1
4 1500 1 1 22 ARG CZ C 7.068 9.293 0.928 1.00 . A A . 22 ARG CZ 1 1
4 1501 1 1 22 ARG H H 7.058 4.321 2.270 1.00 . A A . 22 ARG H 1 1
4 1502 1 1 22 ARG HA H 4.894 4.946 4.163 1.00 . A A . 22 ARG HA 1 1
4 1503 1 1 22 ARG HB2 H 5.972 6.492 1.799 1.00 . A A . 22 ARG HB2 1 1
4 1504 1 1 22 ARG HB3 H 4.589 6.990 2.764 1.00 . A A . 22 ARG HB3 1 1
4 1505 1 1 22 ARG HD2 H 5.837 9.122 3.178 1.00 . A A . 22 ARG HD2 1 1
4 1506 1 1 22 ARG HD3 H 7.386 9.069 4.018 1.00 . A A . 22 ARG HD3 1 1
4 1507 1 1 22 ARG HE H 8.291 8.056 1.920 1.00 . A A . 22 ARG HE 1 1
4 1508 1 1 22 ARG HG2 H 5.990 7.215 4.719 1.00 . A A . 22 ARG HG2 1 1
4 1509 1 1 22 ARG HG3 H 7.383 6.610 3.818 1.00 . A A . 22 ARG HG3 1 1
4 1510 1 1 22 ARG HH11 H 5.406 10.044 1.814 1.00 . A A . 22 ARG HH11 1 1
4 1511 1 1 22 ARG HH12 H 5.660 10.538 0.173 1.00 . A A . 22 ARG HH12 1 1
4 1512 1 1 22 ARG HH21 H 7.492 9.782 -0.994 1.00 . A A . 22 ARG HH21 1 1
4 1513 1 1 22 ARG HH22 H 8.620 8.703 -0.234 1.00 . A A . 22 ARG HH22 1 1
4 1514 1 1 22 ARG N N 6.476 4.216 3.059 1.00 . A A . 22 ARG N 1 1
4 1515 1 1 22 ARG NE N 7.465 8.594 1.990 1.00 . A A . 22 ARG NE 1 1
4 1516 1 1 22 ARG NH1 N 5.957 10.018 0.976 1.00 . A A . 22 ARG NH1 1 1
4 1517 1 1 22 ARG NH2 N 7.782 9.258 -0.188 1.00 . A A . 22 ARG NH2 1 1
4 1518 1 1 22 ARG O O 4.531 3.745 1.251 1.00 . A A . 22 ARG O 1 1
4 1519 1 1 23 TYR C C 0.579 5.009 1.982 1.00 . A A . 23 TYR C 1 1
4 1520 1 1 23 TYR CA C 1.854 4.241 1.675 1.00 . A A . 23 TYR CA 1 1
4 1521 1 1 23 TYR CB C 1.617 2.740 1.831 1.00 . A A . 23 TYR CB 1 1
4 1522 1 1 23 TYR CD1 C -0.102 2.166 3.586 1.00 . A A . 23 TYR CD1 1 1
4 1523 1 1 23 TYR CD2 C 2.202 2.071 4.191 1.00 . A A . 23 TYR CD2 1 1
4 1524 1 1 23 TYR CE1 C -0.456 1.786 4.863 1.00 . A A . 23 TYR CE1 1 1
4 1525 1 1 23 TYR CE2 C 1.855 1.689 5.468 1.00 . A A . 23 TYR CE2 1 1
4 1526 1 1 23 TYR CG C 1.232 2.316 3.228 1.00 . A A . 23 TYR CG 1 1
4 1527 1 1 23 TYR CZ C 0.522 1.524 5.792 1.00 . A A . 23 TYR CZ 1 1
4 1528 1 1 23 TYR H H 2.740 5.167 3.351 1.00 . A A . 23 TYR H 1 1
4 1529 1 1 23 TYR HA H 2.136 4.443 0.652 1.00 . A A . 23 TYR HA 1 1
4 1530 1 1 23 TYR HB2 H 0.822 2.440 1.166 1.00 . A A . 23 TYR HB2 1 1
4 1531 1 1 23 TYR HB3 H 2.518 2.214 1.561 1.00 . A A . 23 TYR HB3 1 1
4 1532 1 1 23 TYR HD1 H -0.867 2.352 2.847 1.00 . A A . 23 TYR HD1 1 1
4 1533 1 1 23 TYR HD2 H 3.244 2.181 3.927 1.00 . A A . 23 TYR HD2 1 1
4 1534 1 1 23 TYR HE1 H -1.498 1.673 5.121 1.00 . A A . 23 TYR HE1 1 1
4 1535 1 1 23 TYR HE2 H 2.625 1.502 6.203 1.00 . A A . 23 TYR HE2 1 1
4 1536 1 1 23 TYR HH H 0.741 1.652 7.714 1.00 . A A . 23 TYR HH 1 1
4 1537 1 1 23 TYR N N 2.944 4.678 2.528 1.00 . A A . 23 TYR N 1 1
4 1538 1 1 23 TYR O O 0.395 5.516 3.091 1.00 . A A . 23 TYR O 1 1
4 1539 1 1 23 TYR OH O 0.180 1.173 7.078 1.00 . A A . 23 TYR OH 1 1
4 1540 1 1 24 GLU C C -2.680 4.682 0.883 1.00 . A A . 24 GLU C 1 1
4 1541 1 1 24 GLU CA C -1.592 5.711 1.161 1.00 . A A . 24 GLU CA 1 1
4 1542 1 1 24 GLU CB C -1.753 6.896 0.213 1.00 . A A . 24 GLU CB 1 1
4 1543 1 1 24 GLU CD C -0.885 9.129 -0.564 1.00 . A A . 24 GLU CD 1 1
4 1544 1 1 24 GLU CG C -0.726 7.993 0.422 1.00 . A A . 24 GLU CG 1 1
4 1545 1 1 24 GLU H H -0.042 4.730 0.114 1.00 . A A . 24 GLU H 1 1
4 1546 1 1 24 GLU HA H -1.674 6.051 2.180 1.00 . A A . 24 GLU HA 1 1
4 1547 1 1 24 GLU HB2 H -1.669 6.542 -0.802 1.00 . A A . 24 GLU HB2 1 1
4 1548 1 1 24 GLU HB3 H -2.734 7.320 0.354 1.00 . A A . 24 GLU HB3 1 1
4 1549 1 1 24 GLU HG2 H -0.835 8.386 1.422 1.00 . A A . 24 GLU HG2 1 1
4 1550 1 1 24 GLU HG3 H 0.263 7.571 0.309 1.00 . A A . 24 GLU HG3 1 1
4 1551 1 1 24 GLU N N -0.288 5.095 0.992 1.00 . A A . 24 GLU N 1 1
4 1552 1 1 24 GLU O O -2.733 4.127 -0.209 1.00 . A A . 24 GLU O 1 1
4 1553 1 1 24 GLU OE1 O 0.019 9.983 -0.648 1.00 . A A . 24 GLU OE1 1 1
4 1554 1 1 24 GLU OE2 O -1.921 9.174 -1.264 1.00 . A A . 24 GLU OE2 1 1
4 1555 1 1 25 MVA C C -6.014 3.843 1.754 1.00 . A A . 25 MVA C 1 1
4 1556 1 1 25 MVA CA C -4.570 3.344 1.641 1.00 . A A . 25 MVA CA 1 1
4 1557 1 1 25 MVA CB C -4.351 2.119 2.586 1.00 . A A . 25 MVA CB 1 1
4 1558 1 1 25 MVA CG1 C -4.593 2.442 4.053 1.00 . A A . 25 MVA CG1 1 1
4 1559 1 1 25 MVA CG2 C -5.238 0.962 2.154 1.00 . A A . 25 MVA CG2 1 1
4 1560 1 1 25 MVA CN C -3.577 5.245 3.069 1.00 . A A . 25 MVA CN 1 1
4 1561 1 1 25 MVA HA H -4.461 2.969 0.631 1.00 . A A . 25 MVA HA 1 1
4 1562 1 1 25 MVA HB H -3.325 1.800 2.483 1.00 . A A . 25 MVA HB 1 1
4 1563 1 1 25 MVA HG11 H -3.855 3.156 4.390 1.00 . A A . 25 MVA HG11 1 1
4 1564 1 1 25 MVA HG12 H -4.513 1.538 4.640 1.00 . A A . 25 MVA HG12 1 1
4 1565 1 1 25 MVA HG13 H -5.581 2.862 4.170 1.00 . A A . 25 MVA HG13 1 1
4 1566 1 1 25 MVA HG21 H -6.275 1.258 2.228 1.00 . A A . 25 MVA HG21 1 1
4 1567 1 1 25 MVA HG22 H -5.060 0.111 2.795 1.00 . A A . 25 MVA HG22 1 1
4 1568 1 1 25 MVA HG23 H -5.013 0.696 1.133 1.00 . A A . 25 MVA HG23 1 1
4 1569 1 1 25 MVA HN1 H -2.737 4.976 3.688 1.00 . A A . 25 MVA HN1 1 1
4 1570 1 1 25 MVA HN2 H -4.496 5.076 3.611 1.00 . A A . 25 MVA HN2 1 1
4 1571 1 1 25 MVA HN3 H -3.506 6.287 2.799 1.00 . A A . 25 MVA HN3 1 1
4 1572 1 1 25 MVA N N -3.573 4.418 1.842 1.00 . A A . 25 MVA N 1 1
4 1573 1 1 25 MVA O O -6.415 4.475 2.734 1.00 . A A . 25 MVA O 1 1
4 1574 1 1 26 HIS C C -9.076 2.754 0.455 1.00 . A A . 26 HIS C 1 1
4 1575 1 1 26 HIS CA C -8.183 3.967 0.662 1.00 . A A . 26 HIS CA 1 1
4 1576 1 1 26 HIS CB C -8.414 4.968 -0.472 1.00 . A A . 26 HIS CB 1 1
4 1577 1 1 26 HIS CD2 C -6.487 6.706 -0.527 1.00 . A A . 26 HIS CD2 1 1
4 1578 1 1 26 HIS CE1 C -7.575 8.413 0.311 1.00 . A A . 26 HIS CE1 1 1
4 1579 1 1 26 HIS CG C -7.751 6.295 -0.268 1.00 . A A . 26 HIS CG 1 1
4 1580 1 1 26 HIS H H -6.412 3.053 -0.036 1.00 . A A . 26 HIS H 1 1
4 1581 1 1 26 HIS HA H -8.434 4.432 1.601 1.00 . A A . 26 HIS HA 1 1
4 1582 1 1 26 HIS HB2 H -8.034 4.547 -1.388 1.00 . A A . 26 HIS HB2 1 1
4 1583 1 1 26 HIS HB3 H -9.473 5.136 -0.576 1.00 . A A . 26 HIS HB3 1 1
4 1584 1 1 26 HIS HD1 H -9.348 7.416 0.541 1.00 . A A . 26 HIS HD1 1 1
4 1585 1 1 26 HIS HD2 H -5.690 6.106 -0.945 1.00 . A A . 26 HIS HD2 1 1
4 1586 1 1 26 HIS HE1 H -7.813 9.400 0.680 1.00 . A A . 26 HIS HE1 1 1
4 1587 1 1 26 HIS HE2 H -5.651 8.626 -0.350 1.00 . A A . 26 HIS HE2 1 1
4 1588 1 1 26 HIS N N -6.790 3.563 0.718 1.00 . A A . 26 HIS N 1 1
4 1589 1 1 26 HIS ND1 N -8.406 7.389 0.258 1.00 . A A . 26 HIS ND1 1 1
4 1590 1 1 26 HIS NE2 N -6.405 8.026 -0.158 1.00 . A A . 26 HIS NE2 1 1
4 1591 1 1 26 HIS O O -8.953 2.042 -0.543 1.00 . A A . 26 HIS O 1 1
4 1592 1 1 27 CYS C C -12.221 1.867 0.747 1.00 . A A . 27 CYS C 1 1
4 1593 1 1 27 CYS CA C -10.889 1.404 1.317 1.00 . A A . 27 CYS CA 1 1
4 1594 1 1 27 CYS CB C -11.093 0.776 2.693 1.00 . A A . 27 CYS CB 1 1
4 1595 1 1 27 CYS H H -9.993 3.105 2.187 1.00 . A A . 27 CYS H 1 1
4 1596 1 1 27 CYS HA H -10.461 0.666 0.655 1.00 . A A . 27 CYS HA 1 1
4 1597 1 1 27 CYS HB2 H -11.445 1.532 3.377 1.00 . A A . 27 CYS HB2 1 1
4 1598 1 1 27 CYS HB3 H -11.834 -0.004 2.615 1.00 . A A . 27 CYS HB3 1 1
4 1599 1 1 27 CYS N N -9.961 2.516 1.404 1.00 . A A . 27 CYS N 1 1
4 1600 1 1 27 CYS O O -13.186 2.091 1.476 1.00 . A A . 27 CYS O 1 1
4 1601 1 1 27 CYS SG S -9.582 0.044 3.400 1.00 . A A . 27 CYS SG 1 1
4 1602 1 1 28 NH2 HN1 H -11.466 1.808 -1.085 1.00 . A A . 28 NH2 HN1 1 1
4 1603 1 1 28 NH2 HN2 H -13.119 2.288 -0.964 1.00 . A A . 28 NH2 HN2 1 1
4 1604 1 1 28 NH2 N N -12.274 2.003 -0.564 1.00 . A A . 28 NH2 N 1 1
5 1605 1 1 1 ASN C C 9.309 -7.904 -2.623 1.00 . A A . 1 ASN C 1 1
5 1606 1 1 1 ASN CA C 9.603 -9.345 -2.219 1.00 . A A . 1 ASN CA 1 1
5 1607 1 1 1 ASN CB C 9.499 -9.502 -0.695 1.00 . A A . 1 ASN CB 1 1
5 1608 1 1 1 ASN CG C 8.095 -9.262 -0.171 1.00 . A A . 1 ASN CG 1 1
5 1609 1 1 1 ASN H1 H 11.001 -9.680 -3.717 1.00 . A A . 1 ASN H1 1 1
5 1610 1 1 1 ASN H2 H 11.168 -10.704 -2.385 1.00 . A A . 1 ASN H2 1 1
5 1611 1 1 1 ASN H3 H 11.663 -9.092 -2.280 1.00 . A A . 1 ASN H3 1 1
5 1612 1 1 1 ASN HA H 8.881 -9.994 -2.695 1.00 . A A . 1 ASN HA 1 1
5 1613 1 1 1 ASN HB2 H 9.796 -10.503 -0.420 1.00 . A A . 1 ASN HB2 1 1
5 1614 1 1 1 ASN HB3 H 10.165 -8.794 -0.223 1.00 . A A . 1 ASN HB3 1 1
5 1615 1 1 1 ASN HD21 H 8.827 -8.681 1.580 1.00 . A A . 1 ASN HD21 1 1
5 1616 1 1 1 ASN HD22 H 7.100 -8.678 1.446 1.00 . A A . 1 ASN HD22 1 1
5 1617 1 1 1 ASN N N 10.953 -9.733 -2.681 1.00 . A A . 1 ASN N 1 1
5 1618 1 1 1 ASN ND2 N 7.997 -8.826 1.073 1.00 . A A . 1 ASN ND2 1 1
5 1619 1 1 1 ASN O O 10.224 -7.134 -2.914 1.00 . A A . 1 ASN O 1 1
5 1620 1 1 1 ASN OD1 O 7.108 -9.472 -0.877 1.00 . A A . 1 ASN OD1 1 1
5 1621 1 1 2 ASP C C 6.797 -5.616 -1.859 1.00 . A A . 2 ASP C 1 1
5 1622 1 1 2 ASP CA C 7.615 -6.203 -2.997 1.00 . A A . 2 ASP CA 1 1
5 1623 1 1 2 ASP CB C 6.782 -6.198 -4.284 1.00 . A A . 2 ASP CB 1 1
5 1624 1 1 2 ASP CG C 7.586 -6.545 -5.520 1.00 . A A . 2 ASP CG 1 1
5 1625 1 1 2 ASP H H 7.348 -8.213 -2.411 1.00 . A A . 2 ASP H 1 1
5 1626 1 1 2 ASP HA H 8.499 -5.603 -3.142 1.00 . A A . 2 ASP HA 1 1
5 1627 1 1 2 ASP HB2 H 5.987 -6.919 -4.190 1.00 . A A . 2 ASP HB2 1 1
5 1628 1 1 2 ASP HB3 H 6.352 -5.217 -4.421 1.00 . A A . 2 ASP HB3 1 1
5 1629 1 1 2 ASP N N 8.033 -7.551 -2.651 1.00 . A A . 2 ASP N 1 1
5 1630 1 1 2 ASP O O 5.766 -6.178 -1.482 1.00 . A A . 2 ASP O 1 1
5 1631 1 1 2 ASP OD1 O 7.555 -7.721 -5.941 1.00 . A A . 2 ASP OD1 1 1
5 1632 1 1 2 ASP OD2 O 8.262 -5.651 -6.069 1.00 . A A . 2 ASP OD2 1 1
5 1633 1 1 3 ABA C C 5.124 -3.519 -0.633 1.00 . A A . 3 AIB C 1 1
5 1634 1 1 3 ABA CA C 6.572 -3.805 -0.216 1.00 . A A . 3 AIB CA 1 1
5 1635 1 1 3 ABA H H 8.108 -4.123 -1.647 1.00 . A A . 3 AIB H 1 1
5 1636 1 1 3 ABA N N 7.266 -4.498 -1.309 1.00 . A A . 3 AIB N 1 1
5 1637 1 1 3 ABA O O 4.182 -3.764 0.127 1.00 . A A . 3 AIB O 1 1
5 1638 1 1 4 CYS C C 2.761 -3.927 -2.451 1.00 . A A . 4 CYS C 1 1
5 1639 1 1 4 CYS CA C 3.645 -2.684 -2.388 1.00 . A A . 4 CYS CA 1 1
5 1640 1 1 4 CYS CB C 3.783 -2.073 -3.784 1.00 . A A . 4 CYS CB 1 1
5 1641 1 1 4 CYS H H 5.755 -2.855 -2.413 1.00 . A A . 4 CYS H 1 1
5 1642 1 1 4 CYS HA H 3.191 -1.964 -1.728 1.00 . A A . 4 CYS HA 1 1
5 1643 1 1 4 CYS HB2 H 3.973 -2.860 -4.495 1.00 . A A . 4 CYS HB2 1 1
5 1644 1 1 4 CYS HB3 H 2.860 -1.577 -4.043 1.00 . A A . 4 CYS HB3 1 1
5 1645 1 1 4 CYS N N 4.962 -3.017 -1.855 1.00 . A A . 4 CYS N 1 1
5 1646 1 1 4 CYS O O 1.572 -3.873 -2.142 1.00 . A A . 4 CYS O 1 1
5 1647 1 1 4 CYS SG S 5.130 -0.854 -3.929 1.00 . A A . 4 CYS SG 1 1
5 1648 1 1 5 LYS C C 2.164 -6.779 -1.585 1.00 . A A . 5 LYS C 1 1
5 1649 1 1 5 LYS CA C 2.654 -6.312 -2.947 1.00 . A A . 5 LYS CA 1 1
5 1650 1 1 5 LYS CB C 3.568 -7.374 -3.565 1.00 . A A . 5 LYS CB 1 1
5 1651 1 1 5 LYS CD C 3.948 -9.792 -4.145 1.00 . A A . 5 LYS CD 1 1
5 1652 1 1 5 LYS CE C 4.497 -9.524 -5.540 1.00 . A A . 5 LYS CE 1 1
5 1653 1 1 5 LYS CG C 2.926 -8.746 -3.720 1.00 . A A . 5 LYS CG 1 1
5 1654 1 1 5 LYS H H 4.325 -5.020 -3.024 1.00 . A A . 5 LYS H 1 1
5 1655 1 1 5 LYS HA H 1.803 -6.156 -3.592 1.00 . A A . 5 LYS HA 1 1
5 1656 1 1 5 LYS HB2 H 3.878 -7.036 -4.542 1.00 . A A . 5 LYS HB2 1 1
5 1657 1 1 5 LYS HB3 H 4.443 -7.482 -2.941 1.00 . A A . 5 LYS HB3 1 1
5 1658 1 1 5 LYS HD2 H 4.768 -9.783 -3.443 1.00 . A A . 5 LYS HD2 1 1
5 1659 1 1 5 LYS HD3 H 3.476 -10.764 -4.135 1.00 . A A . 5 LYS HD3 1 1
5 1660 1 1 5 LYS HE2 H 4.835 -8.500 -5.592 1.00 . A A . 5 LYS HE2 1 1
5 1661 1 1 5 LYS HE3 H 5.333 -10.185 -5.716 1.00 . A A . 5 LYS HE3 1 1
5 1662 1 1 5 LYS HG2 H 2.494 -9.042 -2.775 1.00 . A A . 5 LYS HG2 1 1
5 1663 1 1 5 LYS HG3 H 2.150 -8.689 -4.470 1.00 . A A . 5 LYS HG3 1 1
5 1664 1 1 5 LYS HZ1 H 2.627 -9.178 -6.399 1.00 . A A . 5 LYS HZ1 1 1
5 1665 1 1 5 LYS HZ2 H 3.203 -10.752 -6.621 1.00 . A A . 5 LYS HZ2 1 1
5 1666 1 1 5 LYS HZ3 H 3.854 -9.480 -7.524 1.00 . A A . 5 LYS HZ3 1 1
5 1667 1 1 5 LYS N N 3.366 -5.046 -2.828 1.00 . A A . 5 LYS N 1 1
5 1668 1 1 5 LYS NZ N 3.474 -9.749 -6.593 1.00 . A A . 5 LYS NZ 1 1
5 1669 1 1 5 LYS O O 1.005 -7.160 -1.434 1.00 . A A . 5 LYS O 1 1
5 1670 1 1 6 ABA C C 1.565 -6.319 1.295 1.00 . A A . 6 AIB C 1 1
5 1671 1 1 6 ABA CA C 2.744 -7.151 0.770 1.00 . A A . 6 AIB CA 1 1
5 1672 1 1 6 ABA H H 3.967 -6.405 -0.799 1.00 . A A . 6 AIB H 1 1
5 1673 1 1 6 ABA N N 3.061 -6.732 -0.599 1.00 . A A . 6 AIB N 1 1
5 1674 1 1 6 ABA O O 0.596 -6.857 1.849 1.00 . A A . 6 AIB O 1 1
5 1675 1 1 7 LEU C C -0.695 -4.381 0.838 1.00 . A A . 7 LEU C 1 1
5 1676 1 1 7 LEU CA C 0.616 -4.090 1.550 1.00 . A A . 7 LEU CA 1 1
5 1677 1 1 7 LEU CB C 1.031 -2.638 1.307 1.00 . A A . 7 LEU CB 1 1
5 1678 1 1 7 LEU CD1 C 2.648 -0.756 1.647 1.00 . A A . 7 LEU CD1 1 1
5 1679 1 1 7 LEU CD2 C 2.080 -2.256 3.557 1.00 . A A . 7 LEU CD2 1 1
5 1680 1 1 7 LEU CG C 2.287 -2.176 2.051 1.00 . A A . 7 LEU CG 1 1
5 1681 1 1 7 LEU H H 2.445 -4.640 0.633 1.00 . A A . 7 LEU H 1 1
5 1682 1 1 7 LEU HA H 0.475 -4.246 2.608 1.00 . A A . 7 LEU HA 1 1
5 1683 1 1 7 LEU HB2 H 1.198 -2.510 0.249 1.00 . A A . 7 LEU HB2 1 1
5 1684 1 1 7 LEU HB3 H 0.212 -2.000 1.601 1.00 . A A . 7 LEU HB3 1 1
5 1685 1 1 7 LEU HD11 H 1.833 -0.095 1.902 1.00 . A A . 7 LEU HD11 1 1
5 1686 1 1 7 LEU HD12 H 2.824 -0.718 0.584 1.00 . A A . 7 LEU HD12 1 1
5 1687 1 1 7 LEU HD13 H 3.539 -0.448 2.174 1.00 . A A . 7 LEU HD13 1 1
5 1688 1 1 7 LEU HD21 H 1.235 -1.644 3.834 1.00 . A A . 7 LEU HD21 1 1
5 1689 1 1 7 LEU HD22 H 2.965 -1.898 4.061 1.00 . A A . 7 LEU HD22 1 1
5 1690 1 1 7 LEU HD23 H 1.893 -3.281 3.842 1.00 . A A . 7 LEU HD23 1 1
5 1691 1 1 7 LEU HG H 3.114 -2.820 1.788 1.00 . A A . 7 LEU HG 1 1
5 1692 1 1 7 LEU N N 1.657 -5.004 1.099 1.00 . A A . 7 LEU N 1 1
5 1693 1 1 7 LEU O O -1.751 -4.436 1.465 1.00 . A A . 7 LEU O 1 1
5 1694 1 1 8 LYS C C -2.475 -6.147 -0.749 1.00 . A A . 8 LYS C 1 1
5 1695 1 1 8 LYS CA C -1.793 -4.888 -1.266 1.00 . A A . 8 LYS CA 1 1
5 1696 1 1 8 LYS CB C -1.403 -5.062 -2.735 1.00 . A A . 8 LYS CB 1 1
5 1697 1 1 8 LYS CD C -2.138 -5.405 -5.107 1.00 . A A . 8 LYS CD 1 1
5 1698 1 1 8 LYS CE C -3.323 -5.483 -6.055 1.00 . A A . 8 LYS CE 1 1
5 1699 1 1 8 LYS CG C -2.587 -5.247 -3.665 1.00 . A A . 8 LYS CG 1 1
5 1700 1 1 8 LYS H H 0.260 -4.530 -0.909 1.00 . A A . 8 LYS H 1 1
5 1701 1 1 8 LYS HA H -2.476 -4.058 -1.177 1.00 . A A . 8 LYS HA 1 1
5 1702 1 1 8 LYS HB2 H -0.855 -4.187 -3.054 1.00 . A A . 8 LYS HB2 1 1
5 1703 1 1 8 LYS HB3 H -0.763 -5.927 -2.824 1.00 . A A . 8 LYS HB3 1 1
5 1704 1 1 8 LYS HD2 H -1.528 -4.555 -5.379 1.00 . A A . 8 LYS HD2 1 1
5 1705 1 1 8 LYS HD3 H -1.556 -6.310 -5.196 1.00 . A A . 8 LYS HD3 1 1
5 1706 1 1 8 LYS HE2 H -2.955 -5.569 -7.066 1.00 . A A . 8 LYS HE2 1 1
5 1707 1 1 8 LYS HE3 H -3.907 -6.360 -5.811 1.00 . A A . 8 LYS HE3 1 1
5 1708 1 1 8 LYS HG2 H -3.129 -6.133 -3.369 1.00 . A A . 8 LYS HG2 1 1
5 1709 1 1 8 LYS HG3 H -3.232 -4.385 -3.589 1.00 . A A . 8 LYS HG3 1 1
5 1710 1 1 8 LYS HZ1 H -4.647 -4.241 -5.024 1.00 . A A . 8 LYS HZ1 1 1
5 1711 1 1 8 LYS HZ2 H -4.930 -4.307 -6.688 1.00 . A A . 8 LYS HZ2 1 1
5 1712 1 1 8 LYS HZ3 H -3.624 -3.418 -6.087 1.00 . A A . 8 LYS HZ3 1 1
5 1713 1 1 8 LYS N N -0.617 -4.586 -0.467 1.00 . A A . 8 LYS N 1 1
5 1714 1 1 8 LYS NZ N -4.192 -4.279 -5.958 1.00 . A A . 8 LYS NZ 1 1
5 1715 1 1 8 LYS O O -3.682 -6.153 -0.512 1.00 . A A . 8 LYS O 1 1
5 1716 1 1 9 ABA C C -2.833 -8.277 1.333 1.00 . A A . 9 AIB C 1 1
5 1717 1 1 9 ABA CA C -2.172 -8.478 -0.036 1.00 . A A . 9 AIB CA 1 1
5 1718 1 1 9 ABA H H -0.717 -7.098 -0.728 1.00 . A A . 9 AIB H 1 1
5 1719 1 1 9 ABA N N -1.677 -7.192 -0.538 1.00 . A A . 9 AIB N 1 1
5 1720 1 1 9 ABA O O -3.795 -8.961 1.684 1.00 . A A . 9 AIB O 1 1
5 1721 1 1 10 ARG C C -4.185 -6.337 3.331 1.00 . A A . 10 ARG C 1 1
5 1722 1 1 10 ARG CA C -2.839 -7.052 3.431 1.00 . A A . 10 ARG CA 1 1
5 1723 1 1 10 ARG CB C -1.873 -6.184 4.241 1.00 . A A . 10 ARG CB 1 1
5 1724 1 1 10 ARG CD C -1.747 -4.643 6.238 1.00 . A A . 10 ARG CD 1 1
5 1725 1 1 10 ARG CG C -2.389 -5.881 5.638 1.00 . A A . 10 ARG CG 1 1
5 1726 1 1 10 ARG CZ C 0.307 -4.209 7.523 1.00 . A A . 10 ARG CZ 1 1
5 1727 1 1 10 ARG H H -1.506 -6.844 1.793 1.00 . A A . 10 ARG H 1 1
5 1728 1 1 10 ARG HA H -2.981 -7.990 3.944 1.00 . A A . 10 ARG HA 1 1
5 1729 1 1 10 ARG HB2 H -0.926 -6.697 4.328 1.00 . A A . 10 ARG HB2 1 1
5 1730 1 1 10 ARG HB3 H -1.723 -5.247 3.722 1.00 . A A . 10 ARG HB3 1 1
5 1731 1 1 10 ARG HD2 H -1.872 -3.821 5.548 1.00 . A A . 10 ARG HD2 1 1
5 1732 1 1 10 ARG HD3 H -2.253 -4.409 7.162 1.00 . A A . 10 ARG HD3 1 1
5 1733 1 1 10 ARG HE H 0.201 -5.384 5.903 1.00 . A A . 10 ARG HE 1 1
5 1734 1 1 10 ARG HG2 H -3.455 -5.725 5.583 1.00 . A A . 10 ARG HG2 1 1
5 1735 1 1 10 ARG HG3 H -2.184 -6.729 6.277 1.00 . A A . 10 ARG HG3 1 1
5 1736 1 1 10 ARG HH11 H 0.095 -2.989 9.128 1.00 . A A . 10 ARG HH11 1 1
5 1737 1 1 10 ARG HH12 H -1.363 -3.312 8.244 1.00 . A A . 10 ARG HH12 1 1
5 1738 1 1 10 ARG HH21 H 2.136 -4.951 7.060 1.00 . A A . 10 ARG HH21 1 1
5 1739 1 1 10 ARG HH22 H 2.079 -3.926 8.458 1.00 . A A . 10 ARG HH22 1 1
5 1740 1 1 10 ARG N N -2.295 -7.344 2.112 1.00 . A A . 10 ARG N 1 1
5 1741 1 1 10 ARG NE N -0.320 -4.808 6.512 1.00 . A A . 10 ARG NE 1 1
5 1742 1 1 10 ARG NH1 N -0.375 -3.443 8.365 1.00 . A A . 10 ARG NH1 1 1
5 1743 1 1 10 ARG NH2 N 1.611 -4.373 7.693 1.00 . A A . 10 ARG NH2 1 1
5 1744 1 1 10 ARG O O -5.158 -6.730 3.972 1.00 . A A . 10 ARG O 1 1
5 1745 1 1 11 TYR C C -6.488 -4.917 1.549 1.00 . A A . 11 TYR C 1 1
5 1746 1 1 11 TYR CA C -5.395 -4.404 2.486 1.00 . A A . 11 TYR CA 1 1
5 1747 1 1 11 TYR CB C -4.959 -2.988 2.107 1.00 . A A . 11 TYR CB 1 1
5 1748 1 1 11 TYR CD1 C -4.736 -1.795 4.322 1.00 . A A . 11 TYR CD1 1 1
5 1749 1 1 11 TYR CD2 C -2.761 -2.197 3.055 1.00 . A A . 11 TYR CD2 1 1
5 1750 1 1 11 TYR CE1 C -3.988 -1.170 5.299 1.00 . A A . 11 TYR CE1 1 1
5 1751 1 1 11 TYR CE2 C -2.005 -1.577 4.029 1.00 . A A . 11 TYR CE2 1 1
5 1752 1 1 11 TYR CG C -4.138 -2.318 3.184 1.00 . A A . 11 TYR CG 1 1
5 1753 1 1 11 TYR CZ C -2.632 -1.108 5.185 1.00 . A A . 11 TYR CZ 1 1
5 1754 1 1 11 TYR H H -3.468 -5.099 1.934 1.00 . A A . 11 TYR H 1 1
5 1755 1 1 11 TYR HA H -5.801 -4.374 3.485 1.00 . A A . 11 TYR HA 1 1
5 1756 1 1 11 TYR HB2 H -4.362 -3.026 1.207 1.00 . A A . 11 TYR HB2 1 1
5 1757 1 1 11 TYR HB3 H -5.832 -2.387 1.931 1.00 . A A . 11 TYR HB3 1 1
5 1758 1 1 11 TYR HD1 H -5.808 -1.880 4.438 1.00 . A A . 11 TYR HD1 1 1
5 1759 1 1 11 TYR HD2 H -2.281 -2.600 2.176 1.00 . A A . 11 TYR HD2 1 1
5 1760 1 1 11 TYR HE1 H -4.474 -0.771 6.173 1.00 . A A . 11 TYR HE1 1 1
5 1761 1 1 11 TYR HE2 H -0.936 -1.495 3.909 1.00 . A A . 11 TYR HE2 1 1
5 1762 1 1 11 TYR HH H -1.179 0.086 5.698 1.00 . A A . 11 TYR HH 1 1
5 1763 1 1 11 TYR N N -4.234 -5.287 2.523 1.00 . A A . 11 TYR N 1 1
5 1764 1 1 11 TYR O O -7.595 -4.369 1.522 1.00 . A A . 11 TYR O 1 1
5 1765 1 1 11 TYR OH O -1.874 -0.436 6.119 1.00 . A A . 11 TYR OH 1 1
5 1766 1 1 12 ABA C C -7.856 -5.739 -1.009 1.00 . A A . 12 AIB C 1 1
5 1767 1 1 12 ABA CA C -7.145 -6.685 -0.029 1.00 . A A . 12 AIB CA 1 1
5 1768 1 1 12 ABA H H -5.229 -6.249 0.765 1.00 . A A . 12 AIB H 1 1
5 1769 1 1 12 ABA N N -6.165 -5.959 0.790 1.00 . A A . 12 AIB N 1 1
5 1770 1 1 12 ABA O O -7.279 -5.326 -2.016 1.00 . A A . 12 AIB O 1 1
5 1771 1 1 13 GLY C C -9.631 -3.133 -1.541 1.00 . A A . 13 GLY C 1 1
5 1772 1 1 13 GLY CA C -9.910 -4.619 -1.617 1.00 . A A . 13 GLY CA 1 1
5 1773 1 1 13 GLY H H -9.475 -5.674 0.159 1.00 . A A . 13 GLY H 1 1
5 1774 1 1 13 GLY HA2 H -9.716 -4.957 -2.624 1.00 . A A . 13 GLY HA2 1 1
5 1775 1 1 13 GLY HA3 H -10.951 -4.789 -1.389 1.00 . A A . 13 GLY HA3 1 1
5 1776 1 1 13 GLY N N -9.102 -5.400 -0.703 1.00 . A A . 13 GLY N 1 1
5 1777 1 1 13 GLY O O -10.134 -2.362 -2.361 1.00 . A A . 13 GLY O 1 1
5 1778 1 1 14 CYS C C -7.279 -0.986 -1.256 1.00 . A A . 14 CYS C 1 1
5 1779 1 1 14 CYS CA C -8.505 -1.312 -0.418 1.00 . A A . 14 CYS CA 1 1
5 1780 1 1 14 CYS CB C -8.244 -0.964 1.045 1.00 . A A . 14 CYS CB 1 1
5 1781 1 1 14 CYS H H -8.464 -3.373 0.067 1.00 . A A . 14 CYS H 1 1
5 1782 1 1 14 CYS HA H -9.340 -0.730 -0.778 1.00 . A A . 14 CYS HA 1 1
5 1783 1 1 14 CYS HB2 H -7.364 -1.482 1.376 1.00 . A A . 14 CYS HB2 1 1
5 1784 1 1 14 CYS HB3 H -8.080 0.102 1.127 1.00 . A A . 14 CYS HB3 1 1
5 1785 1 1 14 CYS N N -8.842 -2.719 -0.562 1.00 . A A . 14 CYS N 1 1
5 1786 1 1 14 CYS O O -6.337 -1.778 -1.331 1.00 . A A . 14 CYS O 1 1
5 1787 1 1 14 CYS SG S -9.603 -1.404 2.178 1.00 . A A . 14 CYS SG 1 1
5 1788 1 1 15 GLU C C -5.053 1.123 -1.925 1.00 . A A . 15 GLU C 1 1
5 1789 1 1 15 GLU CA C -6.212 0.596 -2.755 1.00 . A A . 15 GLU CA 1 1
5 1790 1 1 15 GLU CB C -6.689 1.683 -3.718 1.00 . A A . 15 GLU CB 1 1
5 1791 1 1 15 GLU CD C -8.238 2.343 -5.582 1.00 . A A . 15 GLU CD 1 1
5 1792 1 1 15 GLU CG C -7.796 1.237 -4.653 1.00 . A A . 15 GLU CG 1 1
5 1793 1 1 15 GLU H H -8.052 0.790 -1.734 1.00 . A A . 15 GLU H 1 1
5 1794 1 1 15 GLU HA H -5.884 -0.263 -3.318 1.00 . A A . 15 GLU HA 1 1
5 1795 1 1 15 GLU HB2 H -7.055 2.519 -3.141 1.00 . A A . 15 GLU HB2 1 1
5 1796 1 1 15 GLU HB3 H -5.852 2.009 -4.317 1.00 . A A . 15 GLU HB3 1 1
5 1797 1 1 15 GLU HG2 H -7.438 0.410 -5.248 1.00 . A A . 15 GLU HG2 1 1
5 1798 1 1 15 GLU HG3 H -8.643 0.918 -4.064 1.00 . A A . 15 GLU HG3 1 1
5 1799 1 1 15 GLU N N -7.297 0.179 -1.884 1.00 . A A . 15 GLU N 1 1
5 1800 1 1 15 GLU O O -5.272 1.850 -0.958 1.00 . A A . 15 GLU O 1 1
5 1801 1 1 15 GLU OE1 O -9.162 3.097 -5.218 1.00 . A A . 15 GLU OE1 1 1
5 1802 1 1 15 GLU OE2 O -7.659 2.471 -6.680 1.00 . A A . 15 GLU OE2 1 1
5 1803 1 1 16 MVA C C -1.472 1.674 -2.384 1.00 . A A . 16 MVA C 1 1
5 1804 1 1 16 MVA CA C -2.653 1.251 -1.503 1.00 . A A . 16 MVA CA 1 1
5 1805 1 1 16 MVA CB C -2.187 0.199 -0.448 1.00 . A A . 16 MVA CB 1 1
5 1806 1 1 16 MVA CG1 C -1.782 -1.127 -1.074 1.00 . A A . 16 MVA CG1 1 1
5 1807 1 1 16 MVA CG2 C -1.045 0.761 0.383 1.00 . A A . 16 MVA CG2 1 1
5 1808 1 1 16 MVA CN C -3.599 -0.019 -3.513 1.00 . A A . 16 MVA CN 1 1
5 1809 1 1 16 MVA HA H -2.949 2.131 -0.947 1.00 . A A . 16 MVA HA 1 1
5 1810 1 1 16 MVA HB H -3.015 0.006 0.218 1.00 . A A . 16 MVA HB 1 1
5 1811 1 1 16 MVA HG11 H -2.628 -1.553 -1.592 1.00 . A A . 16 MVA HG11 1 1
5 1812 1 1 16 MVA HG12 H -1.454 -1.802 -0.299 1.00 . A A . 16 MVA HG12 1 1
5 1813 1 1 16 MVA HG13 H -0.975 -0.960 -1.774 1.00 . A A . 16 MVA HG13 1 1
5 1814 1 1 16 MVA HG21 H -1.367 1.669 0.869 1.00 . A A . 16 MVA HG21 1 1
5 1815 1 1 16 MVA HG22 H -0.203 0.975 -0.260 1.00 . A A . 16 MVA HG22 1 1
5 1816 1 1 16 MVA HG23 H -0.752 0.037 1.129 1.00 . A A . 16 MVA HG23 1 1
5 1817 1 1 16 MVA HN1 H -3.932 -1.030 -3.339 1.00 . A A . 16 MVA HN1 1 1
5 1818 1 1 16 MVA HN2 H -2.548 -0.024 -3.765 1.00 . A A . 16 MVA HN2 1 1
5 1819 1 1 16 MVA HN3 H -4.162 0.411 -4.328 1.00 . A A . 16 MVA HN3 1 1
5 1820 1 1 16 MVA N N -3.807 0.787 -2.288 1.00 . A A . 16 MVA N 1 1
5 1821 1 1 16 MVA O O -0.779 0.857 -2.998 1.00 . A A . 16 MVA O 1 1
5 1822 1 1 17 ARG C C 1.092 3.551 -2.313 1.00 . A A . 17 ARG C 1 1
5 1823 1 1 17 ARG CA C -0.157 3.550 -3.175 1.00 . A A . 17 ARG CA 1 1
5 1824 1 1 17 ARG CB C -0.489 4.980 -3.603 1.00 . A A . 17 ARG CB 1 1
5 1825 1 1 17 ARG CD C 0.372 7.209 -4.395 1.00 . A A . 17 ARG CD 1 1
5 1826 1 1 17 ARG CG C 0.705 5.743 -4.154 1.00 . A A . 17 ARG CG 1 1
5 1827 1 1 17 ARG CZ C -1.547 8.332 -5.470 1.00 . A A . 17 ARG CZ 1 1
5 1828 1 1 17 ARG H H -1.862 3.575 -1.940 1.00 . A A . 17 ARG H 1 1
5 1829 1 1 17 ARG HA H 0.016 2.945 -4.051 1.00 . A A . 17 ARG HA 1 1
5 1830 1 1 17 ARG HB2 H -1.250 4.946 -4.367 1.00 . A A . 17 ARG HB2 1 1
5 1831 1 1 17 ARG HB3 H -0.870 5.518 -2.750 1.00 . A A . 17 ARG HB3 1 1
5 1832 1 1 17 ARG HD2 H -0.030 7.627 -3.486 1.00 . A A . 17 ARG HD2 1 1
5 1833 1 1 17 ARG HD3 H 1.280 7.733 -4.657 1.00 . A A . 17 ARG HD3 1 1
5 1834 1 1 17 ARG HE H -0.537 6.786 -6.246 1.00 . A A . 17 ARG HE 1 1
5 1835 1 1 17 ARG HG2 H 1.514 5.679 -3.443 1.00 . A A . 17 ARG HG2 1 1
5 1836 1 1 17 ARG HG3 H 1.007 5.290 -5.086 1.00 . A A . 17 ARG HG3 1 1
5 1837 1 1 17 ARG HH11 H -2.412 9.833 -4.422 1.00 . A A . 17 ARG HH11 1 1
5 1838 1 1 17 ARG HH12 H -1.118 9.016 -3.601 1.00 . A A . 17 ARG HH12 1 1
5 1839 1 1 17 ARG HH21 H -2.253 7.865 -7.314 1.00 . A A . 17 ARG HH21 1 1
5 1840 1 1 17 ARG HH22 H -3.060 9.180 -6.519 1.00 . A A . 17 ARG HH22 1 1
5 1841 1 1 17 ARG N N -1.261 2.977 -2.436 1.00 . A A . 17 ARG N 1 1
5 1842 1 1 17 ARG NE N -0.604 7.390 -5.469 1.00 . A A . 17 ARG NE 1 1
5 1843 1 1 17 ARG NH1 N -1.703 9.125 -4.418 1.00 . A A . 17 ARG NH1 1 1
5 1844 1 1 17 ARG NH2 N -2.351 8.469 -6.517 1.00 . A A . 17 ARG NH2 1 1
5 1845 1 1 17 ARG O O 1.161 4.260 -1.312 1.00 . A A . 17 ARG O 1 1
5 1846 1 1 18 CYS C C 4.187 3.903 -2.421 1.00 . A A . 18 CYS C 1 1
5 1847 1 1 18 CYS CA C 3.327 2.726 -1.978 1.00 . A A . 18 CYS CA 1 1
5 1848 1 1 18 CYS CB C 4.046 1.400 -2.216 1.00 . A A . 18 CYS CB 1 1
5 1849 1 1 18 CYS H H 1.931 2.157 -3.460 1.00 . A A . 18 CYS H 1 1
5 1850 1 1 18 CYS HA H 3.113 2.831 -0.923 1.00 . A A . 18 CYS HA 1 1
5 1851 1 1 18 CYS HB2 H 5.046 1.462 -1.816 1.00 . A A . 18 CYS HB2 1 1
5 1852 1 1 18 CYS HB3 H 3.508 0.612 -1.708 1.00 . A A . 18 CYS HB3 1 1
5 1853 1 1 18 CYS N N 2.063 2.749 -2.687 1.00 . A A . 18 CYS N 1 1
5 1854 1 1 18 CYS O O 4.473 4.066 -3.608 1.00 . A A . 18 CYS O 1 1
5 1855 1 1 18 CYS SG S 4.180 0.935 -3.973 1.00 . A A . 18 CYS SG 1 1
5 1856 1 1 19 ASP C C 6.627 5.926 -0.918 1.00 . A A . 19 ASP C 1 1
5 1857 1 1 19 ASP CA C 5.352 5.926 -1.753 1.00 . A A . 19 ASP CA 1 1
5 1858 1 1 19 ASP CB C 4.519 7.179 -1.463 1.00 . A A . 19 ASP CB 1 1
5 1859 1 1 19 ASP CG C 5.221 8.458 -1.872 1.00 . A A . 19 ASP CG 1 1
5 1860 1 1 19 ASP H H 4.355 4.522 -0.532 1.00 . A A . 19 ASP H 1 1
5 1861 1 1 19 ASP HA H 5.615 5.911 -2.800 1.00 . A A . 19 ASP HA 1 1
5 1862 1 1 19 ASP HB2 H 3.586 7.116 -2.001 1.00 . A A . 19 ASP HB2 1 1
5 1863 1 1 19 ASP HB3 H 4.316 7.226 -0.403 1.00 . A A . 19 ASP HB3 1 1
5 1864 1 1 19 ASP N N 4.578 4.730 -1.466 1.00 . A A . 19 ASP N 1 1
5 1865 1 1 19 ASP O O 6.678 6.524 0.160 1.00 . A A . 19 ASP O 1 1
5 1866 1 1 19 ASP OD1 O 5.472 9.312 -0.999 1.00 . A A . 19 ASP OD1 1 1
5 1867 1 1 19 ASP OD2 O 5.556 8.607 -3.066 1.00 . A A . 19 ASP OD2 1 1
5 1868 1 1 20 DPR C C 8.698 4.417 0.698 1.00 . A A . 20 DPR C 1 1
5 1869 1 1 20 DPR CA C 8.925 5.070 -0.664 1.00 . A A . 20 DPR CA 1 1
5 1870 1 1 20 DPR CB C 9.766 4.161 -1.559 1.00 . A A . 20 DPR CB 1 1
5 1871 1 1 20 DPR CD C 7.719 4.567 -2.715 1.00 . A A . 20 DPR CD 1 1
5 1872 1 1 20 DPR CG C 9.186 4.318 -2.921 1.00 . A A . 20 DPR CG 1 1
5 1873 1 1 20 DPR HA H 9.436 6.008 -0.535 1.00 . A A . 20 DPR HA 1 1
5 1874 1 1 20 DPR HB2 H 10.797 4.477 -1.527 1.00 . A A . 20 DPR HB2 1 1
5 1875 1 1 20 DPR HB3 H 9.686 3.141 -1.215 1.00 . A A . 20 DPR HB3 1 1
5 1876 1 1 20 DPR HD2 H 7.335 5.211 -3.490 1.00 . A A . 20 DPR HD2 1 1
5 1877 1 1 20 DPR HD3 H 7.176 3.634 -2.691 1.00 . A A . 20 DPR HD3 1 1
5 1878 1 1 20 DPR HG2 H 9.642 5.160 -3.422 1.00 . A A . 20 DPR HG2 1 1
5 1879 1 1 20 DPR HG3 H 9.336 3.413 -3.492 1.00 . A A . 20 DPR HG3 1 1
5 1880 1 1 20 DPR N N 7.671 5.234 -1.403 1.00 . A A . 20 DPR N 1 1
5 1881 1 1 20 DPR O O 8.217 3.284 0.781 1.00 . A A . 20 DPR O 1 1
5 1882 1 1 21 PRO C C 7.418 4.780 3.639 1.00 . A A . 21 PRO C 1 1
5 1883 1 1 21 PRO CA C 8.856 4.627 3.143 1.00 . A A . 21 PRO CA 1 1
5 1884 1 1 21 PRO CB C 9.793 5.518 3.950 1.00 . A A . 21 PRO CB 1 1
5 1885 1 1 21 PRO CD C 9.658 6.465 1.762 1.00 . A A . 21 PRO CD 1 1
5 1886 1 1 21 PRO CG C 9.786 6.815 3.221 1.00 . A A . 21 PRO CG 1 1
5 1887 1 1 21 PRO HA H 9.163 3.597 3.237 1.00 . A A . 21 PRO HA 1 1
5 1888 1 1 21 PRO HB2 H 9.416 5.625 4.957 1.00 . A A . 21 PRO HB2 1 1
5 1889 1 1 21 PRO HB3 H 10.779 5.084 3.971 1.00 . A A . 21 PRO HB3 1 1
5 1890 1 1 21 PRO HD2 H 9.023 7.175 1.258 1.00 . A A . 21 PRO HD2 1 1
5 1891 1 1 21 PRO HD3 H 10.632 6.432 1.297 1.00 . A A . 21 PRO HD3 1 1
5 1892 1 1 21 PRO HG2 H 8.945 7.409 3.541 1.00 . A A . 21 PRO HG2 1 1
5 1893 1 1 21 PRO HG3 H 10.710 7.344 3.400 1.00 . A A . 21 PRO HG3 1 1
5 1894 1 1 21 PRO N N 9.040 5.125 1.781 1.00 . A A . 21 PRO N 1 1
5 1895 1 1 21 PRO O O 7.073 4.314 4.724 1.00 . A A . 21 PRO O 1 1
5 1896 1 1 22 ARG C C 4.255 4.986 2.273 1.00 . A A . 22 ARG C 1 1
5 1897 1 1 22 ARG CA C 5.205 5.692 3.228 1.00 . A A . 22 ARG CA 1 1
5 1898 1 1 22 ARG CB C 4.923 7.197 3.218 1.00 . A A . 22 ARG CB 1 1
5 1899 1 1 22 ARG CD C 5.822 7.621 5.539 1.00 . A A . 22 ARG CD 1 1
5 1900 1 1 22 ARG CG C 5.885 8.013 4.068 1.00 . A A . 22 ARG CG 1 1
5 1901 1 1 22 ARG CZ C 4.312 8.066 7.442 1.00 . A A . 22 ARG CZ 1 1
5 1902 1 1 22 ARG H H 6.900 5.743 1.961 1.00 . A A . 22 ARG H 1 1
5 1903 1 1 22 ARG HA H 5.053 5.305 4.225 1.00 . A A . 22 ARG HA 1 1
5 1904 1 1 22 ARG HB2 H 4.988 7.553 2.200 1.00 . A A . 22 ARG HB2 1 1
5 1905 1 1 22 ARG HB3 H 3.922 7.366 3.584 1.00 . A A . 22 ARG HB3 1 1
5 1906 1 1 22 ARG HD2 H 6.022 6.564 5.626 1.00 . A A . 22 ARG HD2 1 1
5 1907 1 1 22 ARG HD3 H 6.578 8.174 6.076 1.00 . A A . 22 ARG HD3 1 1
5 1908 1 1 22 ARG HE H 3.747 7.981 5.524 1.00 . A A . 22 ARG HE 1 1
5 1909 1 1 22 ARG HG2 H 6.889 7.851 3.708 1.00 . A A . 22 ARG HG2 1 1
5 1910 1 1 22 ARG HG3 H 5.634 9.060 3.972 1.00 . A A . 22 ARG HG3 1 1
5 1911 1 1 22 ARG HH11 H 6.252 7.762 7.956 1.00 . A A . 22 ARG HH11 1 1
5 1912 1 1 22 ARG HH12 H 5.173 8.075 9.279 1.00 . A A . 22 ARG HH12 1 1
5 1913 1 1 22 ARG HH21 H 2.934 8.455 8.878 1.00 . A A . 22 ARG HH21 1 1
5 1914 1 1 22 ARG HH22 H 2.324 8.411 7.256 1.00 . A A . 22 ARG HH22 1 1
5 1915 1 1 22 ARG N N 6.584 5.435 2.843 1.00 . A A . 22 ARG N 1 1
5 1916 1 1 22 ARG NE N 4.515 7.905 6.135 1.00 . A A . 22 ARG NE 1 1
5 1917 1 1 22 ARG NH1 N 5.327 7.962 8.293 1.00 . A A . 22 ARG NH1 1 1
5 1918 1 1 22 ARG NH2 N 3.093 8.332 7.894 1.00 . A A . 22 ARG NH2 1 1
5 1919 1 1 22 ARG O O 4.688 4.388 1.289 1.00 . A A . 22 ARG O 1 1
5 1920 1 1 23 TYR C C 0.607 5.133 1.967 1.00 . A A . 23 TYR C 1 1
5 1921 1 1 23 TYR CA C 1.958 4.500 1.685 1.00 . A A . 23 TYR CA 1 1
5 1922 1 1 23 TYR CB C 1.869 2.977 1.818 1.00 . A A . 23 TYR CB 1 1
5 1923 1 1 23 TYR CD1 C 0.122 2.280 3.500 1.00 . A A . 23 TYR CD1 1 1
5 1924 1 1 23 TYR CD2 C 2.407 2.246 4.171 1.00 . A A . 23 TYR CD2 1 1
5 1925 1 1 23 TYR CE1 C -0.257 1.848 4.755 1.00 . A A . 23 TYR CE1 1 1
5 1926 1 1 23 TYR CE2 C 2.037 1.811 5.425 1.00 . A A . 23 TYR CE2 1 1
5 1927 1 1 23 TYR CG C 1.458 2.487 3.187 1.00 . A A . 23 TYR CG 1 1
5 1928 1 1 23 TYR CZ C 0.697 1.557 5.692 1.00 . A A . 23 TYR CZ 1 1
5 1929 1 1 23 TYR H H 2.689 5.460 3.414 1.00 . A A . 23 TYR H 1 1
5 1930 1 1 23 TYR HA H 2.244 4.743 0.674 1.00 . A A . 23 TYR HA 1 1
5 1931 1 1 23 TYR HB2 H 1.147 2.608 1.109 1.00 . A A . 23 TYR HB2 1 1
5 1932 1 1 23 TYR HB3 H 2.834 2.552 1.591 1.00 . A A . 23 TYR HB3 1 1
5 1933 1 1 23 TYR HD1 H -0.628 2.463 2.745 1.00 . A A . 23 TYR HD1 1 1
5 1934 1 1 23 TYR HD2 H 3.451 2.399 3.942 1.00 . A A . 23 TYR HD2 1 1
5 1935 1 1 23 TYR HE1 H -1.302 1.693 4.979 1.00 . A A . 23 TYR HE1 1 1
5 1936 1 1 23 TYR HE2 H 2.791 1.629 6.176 1.00 . A A . 23 TYR HE2 1 1
5 1937 1 1 23 TYR HH H 0.878 1.643 7.630 1.00 . A A . 23 TYR HH 1 1
5 1938 1 1 23 TYR N N 2.970 5.045 2.571 1.00 . A A . 23 TYR N 1 1
5 1939 1 1 23 TYR O O 0.339 5.588 3.080 1.00 . A A . 23 TYR O 1 1
5 1940 1 1 23 TYR OH O 0.335 1.187 6.968 1.00 . A A . 23 TYR OH 1 1
5 1941 1 1 24 GLU C C -2.601 4.639 0.808 1.00 . A A . 24 GLU C 1 1
5 1942 1 1 24 GLU CA C -1.564 5.721 1.078 1.00 . A A . 24 GLU CA 1 1
5 1943 1 1 24 GLU CB C -1.747 6.884 0.103 1.00 . A A . 24 GLU CB 1 1
5 1944 1 1 24 GLU CD C -0.968 9.176 -0.623 1.00 . A A . 24 GLU CD 1 1
5 1945 1 1 24 GLU CG C -0.685 7.964 0.238 1.00 . A A . 24 GLU CG 1 1
5 1946 1 1 24 GLU H H 0.051 4.793 0.088 1.00 . A A . 24 GLU H 1 1
5 1947 1 1 24 GLU HA H -1.682 6.080 2.087 1.00 . A A . 24 GLU HA 1 1
5 1948 1 1 24 GLU HB2 H -1.716 6.500 -0.905 1.00 . A A . 24 GLU HB2 1 1
5 1949 1 1 24 GLU HB3 H -2.712 7.334 0.277 1.00 . A A . 24 GLU HB3 1 1
5 1950 1 1 24 GLU HG2 H -0.641 8.278 1.270 1.00 . A A . 24 GLU HG2 1 1
5 1951 1 1 24 GLU HG3 H 0.269 7.549 -0.052 1.00 . A A . 24 GLU HG3 1 1
5 1952 1 1 24 GLU N N -0.233 5.164 0.953 1.00 . A A . 24 GLU N 1 1
5 1953 1 1 24 GLU O O -2.559 3.990 -0.232 1.00 . A A . 24 GLU O 1 1
5 1954 1 1 24 GLU OE1 O -1.290 10.248 -0.069 1.00 . A A . 24 GLU OE1 1 1
5 1955 1 1 24 GLU OE2 O -0.875 9.059 -1.865 1.00 . A A . 24 GLU OE2 1 1
5 1956 1 1 25 MVA C C -5.975 3.793 1.722 1.00 . A A . 25 MVA C 1 1
5 1957 1 1 25 MVA CA C -4.527 3.331 1.544 1.00 . A A . 25 MVA CA 1 1
5 1958 1 1 25 MVA CB C -4.239 2.101 2.461 1.00 . A A . 25 MVA CB 1 1
5 1959 1 1 25 MVA CG1 C -4.281 2.443 3.944 1.00 . A A . 25 MVA CG1 1 1
5 1960 1 1 25 MVA CG2 C -5.220 0.978 2.157 1.00 . A A . 25 MVA CG2 1 1
5 1961 1 1 25 MVA CN C -3.649 5.348 2.885 1.00 . A A . 25 MVA CN 1 1
5 1962 1 1 25 MVA HA H -4.446 2.974 0.526 1.00 . A A . 25 MVA HA 1 1
5 1963 1 1 25 MVA HB H -3.247 1.740 2.235 1.00 . A A . 25 MVA HB 1 1
5 1964 1 1 25 MVA HG11 H -5.235 2.887 4.183 1.00 . A A . 25 MVA HG11 1 1
5 1965 1 1 25 MVA HG12 H -3.488 3.140 4.172 1.00 . A A . 25 MVA HG12 1 1
5 1966 1 1 25 MVA HG13 H -4.146 1.542 4.523 1.00 . A A . 25 MVA HG13 1 1
5 1967 1 1 25 MVA HG21 H -5.105 0.666 1.130 1.00 . A A . 25 MVA HG21 1 1
5 1968 1 1 25 MVA HG22 H -6.229 1.329 2.315 1.00 . A A . 25 MVA HG22 1 1
5 1969 1 1 25 MVA HG23 H -5.024 0.140 2.811 1.00 . A A . 25 MVA HG23 1 1
5 1970 1 1 25 MVA HN1 H -4.571 5.163 3.414 1.00 . A A . 25 MVA HN1 1 1
5 1971 1 1 25 MVA HN2 H -3.633 6.371 2.536 1.00 . A A . 25 MVA HN2 1 1
5 1972 1 1 25 MVA HN3 H -2.815 5.179 3.550 1.00 . A A . 25 MVA HN3 1 1
5 1973 1 1 25 MVA N N -3.554 4.430 1.726 1.00 . A A . 25 MVA N 1 1
5 1974 1 1 25 MVA O O -6.373 4.312 2.765 1.00 . A A . 25 MVA O 1 1
5 1975 1 1 26 HIS C C -9.073 2.897 0.326 1.00 . A A . 26 HIS C 1 1
5 1976 1 1 26 HIS CA C -8.140 4.053 0.654 1.00 . A A . 26 HIS CA 1 1
5 1977 1 1 26 HIS CB C -8.319 5.173 -0.372 1.00 . A A . 26 HIS CB 1 1
5 1978 1 1 26 HIS CD2 C -6.174 6.632 -0.395 1.00 . A A . 26 HIS CD2 1 1
5 1979 1 1 26 HIS CE1 C -6.965 8.388 0.644 1.00 . A A . 26 HIS CE1 1 1
5 1980 1 1 26 HIS CG C -7.471 6.381 -0.103 1.00 . A A . 26 HIS CG 1 1
5 1981 1 1 26 HIS H H -6.406 3.112 -0.106 1.00 . A A . 26 HIS H 1 1
5 1982 1 1 26 HIS HA H -8.381 4.430 1.634 1.00 . A A . 26 HIS HA 1 1
5 1983 1 1 26 HIS HB2 H -8.062 4.798 -1.350 1.00 . A A . 26 HIS HB2 1 1
5 1984 1 1 26 HIS HB3 H -9.351 5.486 -0.373 1.00 . A A . 26 HIS HB3 1 1
5 1985 1 1 26 HIS HD1 H -8.853 7.631 0.885 1.00 . A A . 26 HIS HD1 1 1
5 1986 1 1 26 HIS HD2 H -5.491 5.966 -0.904 1.00 . A A . 26 HIS HD2 1 1
5 1987 1 1 26 HIS HE1 H -7.041 9.359 1.110 1.00 . A A . 26 HIS HE1 1 1
5 1988 1 1 26 HIS HE2 H -5.057 8.386 -0.101 1.00 . A A . 26 HIS HE2 1 1
5 1989 1 1 26 HIS N N -6.761 3.598 0.675 1.00 . A A . 26 HIS N 1 1
5 1990 1 1 26 HIS ND1 N -7.937 7.501 0.547 1.00 . A A . 26 HIS ND1 1 1
5 1991 1 1 26 HIS NE2 N -5.885 7.885 0.080 1.00 . A A . 26 HIS NE2 1 1
5 1992 1 1 26 HIS O O -8.854 2.166 -0.641 1.00 . A A . 26 HIS O 1 1
5 1993 1 1 27 CYS C C -12.320 2.176 0.254 1.00 . A A . 27 CYS C 1 1
5 1994 1 1 27 CYS CA C -11.062 1.657 0.938 1.00 . A A . 27 CYS CA 1 1
5 1995 1 1 27 CYS CB C -11.419 1.024 2.282 1.00 . A A . 27 CYS CB 1 1
5 1996 1 1 27 CYS H H -10.219 3.341 1.893 1.00 . A A . 27 CYS H 1 1
5 1997 1 1 27 CYS HA H -10.603 0.909 0.310 1.00 . A A . 27 CYS HA 1 1
5 1998 1 1 27 CYS HB2 H -11.866 1.774 2.916 1.00 . A A . 27 CYS HB2 1 1
5 1999 1 1 27 CYS HB3 H -12.129 0.229 2.117 1.00 . A A . 27 CYS HB3 1 1
5 2000 1 1 27 CYS N N -10.102 2.729 1.135 1.00 . A A . 27 CYS N 1 1
5 2001 1 1 27 CYS O O -13.392 2.237 0.854 1.00 . A A . 27 CYS O 1 1
5 2002 1 1 27 CYS SG S -9.991 0.324 3.168 1.00 . A A . 27 CYS SG 1 1
5 2003 1 1 28 NH2 HN1 H -11.306 2.462 -1.426 1.00 . A A . 28 NH2 HN1 1 1
5 2004 1 1 28 NH2 HN2 H -12.985 2.862 -1.478 1.00 . A A . 28 NH2 HN2 1 1
5 2005 1 1 28 NH2 N N -12.192 2.535 -1.009 1.00 . A A . 28 NH2 N 1 1
6 2006 1 1 1 ASN C C 8.208 -8.843 -3.157 1.00 . A A . 1 ASN C 1 1
6 2007 1 1 1 ASN CA C 7.817 -10.310 -3.115 1.00 . A A . 1 ASN CA 1 1
6 2008 1 1 1 ASN CB C 8.534 -11.003 -1.950 1.00 . A A . 1 ASN CB 1 1
6 2009 1 1 1 ASN CG C 8.080 -12.435 -1.759 1.00 . A A . 1 ASN CG 1 1
6 2010 1 1 1 ASN H1 H 9.183 -10.883 -4.576 1.00 . A A . 1 ASN H1 1 1
6 2011 1 1 1 ASN H2 H 7.650 -10.506 -5.180 1.00 . A A . 1 ASN H2 1 1
6 2012 1 1 1 ASN H3 H 7.902 -11.969 -4.371 1.00 . A A . 1 ASN H3 1 1
6 2013 1 1 1 ASN HA H 6.748 -10.386 -2.975 1.00 . A A . 1 ASN HA 1 1
6 2014 1 1 1 ASN HB2 H 9.597 -11.006 -2.140 1.00 . A A . 1 ASN HB2 1 1
6 2015 1 1 1 ASN HB3 H 8.339 -10.458 -1.037 1.00 . A A . 1 ASN HB3 1 1
6 2016 1 1 1 ASN HD21 H 6.774 -11.870 -0.374 1.00 . A A . 1 ASN HD21 1 1
6 2017 1 1 1 ASN HD22 H 6.821 -13.565 -0.720 1.00 . A A . 1 ASN HD22 1 1
6 2018 1 1 1 ASN N N 8.161 -10.963 -4.399 1.00 . A A . 1 ASN N 1 1
6 2019 1 1 1 ASN ND2 N 7.129 -12.644 -0.863 1.00 . A A . 1 ASN ND2 1 1
6 2020 1 1 1 ASN O O 9.258 -8.492 -3.697 1.00 . A A . 1 ASN O 1 1
6 2021 1 1 1 ASN OD1 O 8.590 -13.348 -2.405 1.00 . A A . 1 ASN OD1 1 1
6 2022 1 1 2 ASP C C 6.796 -5.869 -1.518 1.00 . A A . 2 ASP C 1 1
6 2023 1 1 2 ASP CA C 7.620 -6.551 -2.599 1.00 . A A . 2 ASP CA 1 1
6 2024 1 1 2 ASP CB C 7.277 -5.955 -3.968 1.00 . A A . 2 ASP CB 1 1
6 2025 1 1 2 ASP CG C 7.583 -4.474 -4.052 1.00 . A A . 2 ASP CG 1 1
6 2026 1 1 2 ASP H H 6.556 -8.323 -2.150 1.00 . A A . 2 ASP H 1 1
6 2027 1 1 2 ASP HA H 8.666 -6.393 -2.395 1.00 . A A . 2 ASP HA 1 1
6 2028 1 1 2 ASP HB2 H 7.847 -6.464 -4.729 1.00 . A A . 2 ASP HB2 1 1
6 2029 1 1 2 ASP HB3 H 6.224 -6.096 -4.160 1.00 . A A . 2 ASP HB3 1 1
6 2030 1 1 2 ASP N N 7.367 -7.986 -2.593 1.00 . A A . 2 ASP N 1 1
6 2031 1 1 2 ASP O O 5.705 -6.334 -1.191 1.00 . A A . 2 ASP O 1 1
6 2032 1 1 2 ASP OD1 O 6.655 -3.658 -3.868 1.00 . A A . 2 ASP OD1 1 1
6 2033 1 1 2 ASP OD2 O 8.750 -4.117 -4.293 1.00 . A A . 2 ASP OD2 1 1
6 2034 1 1 3 ABA C C 5.235 -3.633 -0.391 1.00 . A A . 3 AIB C 1 1
6 2035 1 1 3 ABA CA C 6.649 -4.005 0.076 1.00 . A A . 3 AIB CA 1 1
6 2036 1 1 3 ABA H H 8.205 -4.473 -1.285 1.00 . A A . 3 AIB H 1 1
6 2037 1 1 3 ABA N N 7.327 -4.776 -0.972 1.00 . A A . 3 AIB N 1 1
6 2038 1 1 3 ABA O O 4.248 -3.850 0.321 1.00 . A A . 3 AIB O 1 1
6 2039 1 1 4 CYS C C 2.909 -3.790 -2.316 1.00 . A A . 4 CYS C 1 1
6 2040 1 1 4 CYS CA C 3.885 -2.633 -2.150 1.00 . A A . 4 CYS CA 1 1
6 2041 1 1 4 CYS CB C 4.112 -1.946 -3.497 1.00 . A A . 4 CYS CB 1 1
6 2042 1 1 4 CYS H H 5.958 -3.044 -2.165 1.00 . A A . 4 CYS H 1 1
6 2043 1 1 4 CYS HA H 3.468 -1.920 -1.457 1.00 . A A . 4 CYS HA 1 1
6 2044 1 1 4 CYS HB2 H 4.378 -2.689 -4.232 1.00 . A A . 4 CYS HB2 1 1
6 2045 1 1 4 CYS HB3 H 3.198 -1.462 -3.801 1.00 . A A . 4 CYS HB3 1 1
6 2046 1 1 4 CYS N N 5.148 -3.104 -1.606 1.00 . A A . 4 CYS N 1 1
6 2047 1 1 4 CYS O O 1.723 -3.668 -2.005 1.00 . A A . 4 CYS O 1 1
6 2048 1 1 4 CYS SG S 5.429 -0.685 -3.485 1.00 . A A . 4 CYS SG 1 1
6 2049 1 1 5 LYS C C 2.071 -6.650 -1.701 1.00 . A A . 5 LYS C 1 1
6 2050 1 1 5 LYS CA C 2.594 -6.093 -3.020 1.00 . A A . 5 LYS CA 1 1
6 2051 1 1 5 LYS CB C 3.384 -7.165 -3.780 1.00 . A A . 5 LYS CB 1 1
6 2052 1 1 5 LYS CD C 1.436 -7.948 -5.171 1.00 . A A . 5 LYS CD 1 1
6 2053 1 1 5 LYS CE C 0.625 -9.148 -5.631 1.00 . A A . 5 LYS CE 1 1
6 2054 1 1 5 LYS CG C 2.543 -8.359 -4.211 1.00 . A A . 5 LYS CG 1 1
6 2055 1 1 5 LYS H H 4.388 -4.969 -2.960 1.00 . A A . 5 LYS H 1 1
6 2056 1 1 5 LYS HA H 1.755 -5.782 -3.621 1.00 . A A . 5 LYS HA 1 1
6 2057 1 1 5 LYS HB2 H 3.815 -6.717 -4.663 1.00 . A A . 5 LYS HB2 1 1
6 2058 1 1 5 LYS HB3 H 4.181 -7.522 -3.145 1.00 . A A . 5 LYS HB3 1 1
6 2059 1 1 5 LYS HD2 H 0.777 -7.255 -4.669 1.00 . A A . 5 LYS HD2 1 1
6 2060 1 1 5 LYS HD3 H 1.878 -7.470 -6.031 1.00 . A A . 5 LYS HD3 1 1
6 2061 1 1 5 LYS HE2 H 1.281 -9.833 -6.149 1.00 . A A . 5 LYS HE2 1 1
6 2062 1 1 5 LYS HE3 H 0.207 -9.637 -4.764 1.00 . A A . 5 LYS HE3 1 1
6 2063 1 1 5 LYS HG2 H 3.181 -9.078 -4.703 1.00 . A A . 5 LYS HG2 1 1
6 2064 1 1 5 LYS HG3 H 2.099 -8.809 -3.336 1.00 . A A . 5 LYS HG3 1 1
6 2065 1 1 5 LYS HZ1 H -1.167 -8.157 -6.040 1.00 . A A . 5 LYS HZ1 1 1
6 2066 1 1 5 LYS HZ2 H -0.970 -9.598 -6.898 1.00 . A A . 5 LYS HZ2 1 1
6 2067 1 1 5 LYS HZ3 H -0.106 -8.221 -7.355 1.00 . A A . 5 LYS HZ3 1 1
6 2068 1 1 5 LYS N N 3.423 -4.921 -2.781 1.00 . A A . 5 LYS N 1 1
6 2069 1 1 5 LYS NZ N -0.480 -8.754 -6.545 1.00 . A A . 5 LYS NZ 1 1
6 2070 1 1 5 LYS O O 0.900 -7.031 -1.600 1.00 . A A . 5 LYS O 1 1
6 2071 1 1 6 ABA C C 1.448 -6.268 1.182 1.00 . A A . 6 AIB C 1 1
6 2072 1 1 6 ABA CA C 2.588 -7.134 0.649 1.00 . A A . 6 AIB CA 1 1
6 2073 1 1 6 ABA H H 3.862 -6.365 -0.860 1.00 . A A . 6 AIB H 1 1
6 2074 1 1 6 ABA N N 2.944 -6.672 -0.694 1.00 . A A . 6 AIB N 1 1
6 2075 1 1 6 ABA O O 0.476 -6.777 1.738 1.00 . A A . 6 AIB O 1 1
6 2076 1 1 7 LEU C C -0.772 -4.286 0.711 1.00 . A A . 7 LEU C 1 1
6 2077 1 1 7 LEU CA C 0.543 -4.023 1.433 1.00 . A A . 7 LEU CA 1 1
6 2078 1 1 7 LEU CB C 0.985 -2.578 1.196 1.00 . A A . 7 LEU CB 1 1
6 2079 1 1 7 LEU CD1 C 2.635 -0.728 1.546 1.00 . A A . 7 LEU CD1 1 1
6 2080 1 1 7 LEU CD2 C 2.070 -2.249 3.436 1.00 . A A . 7 LEU CD2 1 1
6 2081 1 1 7 LEU CG C 2.257 -2.147 1.931 1.00 . A A . 7 LEU CG 1 1
6 2082 1 1 7 LEU H H 2.371 -4.608 0.532 1.00 . A A . 7 LEU H 1 1
6 2083 1 1 7 LEU HA H 0.394 -4.177 2.489 1.00 . A A . 7 LEU HA 1 1
6 2084 1 1 7 LEU HB2 H 1.145 -2.446 0.137 1.00 . A A . 7 LEU HB2 1 1
6 2085 1 1 7 LEU HB3 H 0.181 -1.926 1.503 1.00 . A A . 7 LEU HB3 1 1
6 2086 1 1 7 LEU HD11 H 1.835 -0.058 1.823 1.00 . A A . 7 LEU HD11 1 1
6 2087 1 1 7 LEU HD12 H 2.796 -0.674 0.479 1.00 . A A . 7 LEU HD12 1 1
6 2088 1 1 7 LEU HD13 H 3.539 -0.444 2.062 1.00 . A A . 7 LEU HD13 1 1
6 2089 1 1 7 LEU HD21 H 1.867 -3.274 3.708 1.00 . A A . 7 LEU HD21 1 1
6 2090 1 1 7 LEU HD22 H 1.241 -1.626 3.736 1.00 . A A . 7 LEU HD22 1 1
6 2091 1 1 7 LEU HD23 H 2.968 -1.915 3.934 1.00 . A A . 7 LEU HD23 1 1
6 2092 1 1 7 LEU HG H 3.070 -2.801 1.645 1.00 . A A . 7 LEU HG 1 1
6 2093 1 1 7 LEU N N 1.568 -4.956 0.988 1.00 . A A . 7 LEU N 1 1
6 2094 1 1 7 LEU O O -1.836 -4.310 1.329 1.00 . A A . 7 LEU O 1 1
6 2095 1 1 8 LYS C C -2.608 -5.997 -0.854 1.00 . A A . 8 LYS C 1 1
6 2096 1 1 8 LYS CA C -1.874 -4.781 -1.401 1.00 . A A . 8 LYS CA 1 1
6 2097 1 1 8 LYS CB C -1.500 -5.016 -2.868 1.00 . A A . 8 LYS CB 1 1
6 2098 1 1 8 LYS CD C -0.466 -4.132 -4.979 1.00 . A A . 8 LYS CD 1 1
6 2099 1 1 8 LYS CE C 0.285 -2.975 -5.620 1.00 . A A . 8 LYS CE 1 1
6 2100 1 1 8 LYS CG C -0.903 -3.802 -3.562 1.00 . A A . 8 LYS CG 1 1
6 2101 1 1 8 LYS H H 0.194 -4.476 -1.031 1.00 . A A . 8 LYS H 1 1
6 2102 1 1 8 LYS HA H -2.527 -3.925 -1.334 1.00 . A A . 8 LYS HA 1 1
6 2103 1 1 8 LYS HB2 H -0.780 -5.820 -2.917 1.00 . A A . 8 LYS HB2 1 1
6 2104 1 1 8 LYS HB3 H -2.389 -5.311 -3.407 1.00 . A A . 8 LYS HB3 1 1
6 2105 1 1 8 LYS HD2 H 0.179 -4.997 -4.956 1.00 . A A . 8 LYS HD2 1 1
6 2106 1 1 8 LYS HD3 H -1.343 -4.350 -5.570 1.00 . A A . 8 LYS HD3 1 1
6 2107 1 1 8 LYS HE2 H 1.126 -2.717 -4.994 1.00 . A A . 8 LYS HE2 1 1
6 2108 1 1 8 LYS HE3 H 0.644 -3.290 -6.590 1.00 . A A . 8 LYS HE3 1 1
6 2109 1 1 8 LYS HG2 H -1.646 -3.018 -3.599 1.00 . A A . 8 LYS HG2 1 1
6 2110 1 1 8 LYS HG3 H -0.046 -3.460 -3.001 1.00 . A A . 8 LYS HG3 1 1
6 2111 1 1 8 LYS HZ1 H -1.347 -1.977 -6.455 1.00 . A A . 8 LYS HZ1 1 1
6 2112 1 1 8 LYS HZ2 H -0.013 -0.980 -6.164 1.00 . A A . 8 LYS HZ2 1 1
6 2113 1 1 8 LYS HZ3 H -0.982 -1.489 -4.879 1.00 . A A . 8 LYS HZ3 1 1
6 2114 1 1 8 LYS N N -0.689 -4.502 -0.598 1.00 . A A . 8 LYS N 1 1
6 2115 1 1 8 LYS NZ N -0.574 -1.773 -5.790 1.00 . A A . 8 LYS NZ 1 1
6 2116 1 1 8 LYS O O -3.810 -5.938 -0.584 1.00 . A A . 8 LYS O 1 1
6 2117 1 1 9 ABA C C -2.968 -8.103 1.269 1.00 . A A . 9 AIB C 1 1
6 2118 1 1 9 ABA CA C -2.405 -8.337 -0.140 1.00 . A A . 9 AIB CA 1 1
6 2119 1 1 9 ABA H H -0.901 -7.039 -0.887 1.00 . A A . 9 AIB H 1 1
6 2120 1 1 9 ABA N N -1.859 -7.082 -0.666 1.00 . A A . 9 AIB N 1 1
6 2121 1 1 9 ABA O O -4.007 -8.650 1.638 1.00 . A A . 9 AIB O 1 1
6 2122 1 1 10 ARG C C -3.952 -6.279 3.545 1.00 . A A . 10 ARG C 1 1
6 2123 1 1 10 ARG CA C -2.620 -7.014 3.425 1.00 . A A . 10 ARG CA 1 1
6 2124 1 1 10 ARG CB C -1.514 -6.190 4.086 1.00 . A A . 10 ARG CB 1 1
6 2125 1 1 10 ARG CD C -0.619 -5.077 6.148 1.00 . A A . 10 ARG CD 1 1
6 2126 1 1 10 ARG CG C -1.743 -5.917 5.560 1.00 . A A . 10 ARG CG 1 1
6 2127 1 1 10 ARG CZ C 1.848 -5.130 6.291 1.00 . A A . 10 ARG CZ 1 1
6 2128 1 1 10 ARG H H -1.481 -6.827 1.656 1.00 . A A . 10 ARG H 1 1
6 2129 1 1 10 ARG HA H -2.700 -7.962 3.931 1.00 . A A . 10 ARG HA 1 1
6 2130 1 1 10 ARG HB2 H -0.579 -6.720 3.982 1.00 . A A . 10 ARG HB2 1 1
6 2131 1 1 10 ARG HB3 H -1.436 -5.240 3.575 1.00 . A A . 10 ARG HB3 1 1
6 2132 1 1 10 ARG HD2 H -0.596 -4.123 5.639 1.00 . A A . 10 ARG HD2 1 1
6 2133 1 1 10 ARG HD3 H -0.819 -4.916 7.197 1.00 . A A . 10 ARG HD3 1 1
6 2134 1 1 10 ARG HE H 0.705 -6.646 5.667 1.00 . A A . 10 ARG HE 1 1
6 2135 1 1 10 ARG HG2 H -2.676 -5.384 5.673 1.00 . A A . 10 ARG HG2 1 1
6 2136 1 1 10 ARG HG3 H -1.795 -6.857 6.089 1.00 . A A . 10 ARG HG3 1 1
6 2137 1 1 10 ARG HH11 H 2.745 -3.457 7.006 1.00 . A A . 10 ARG HH11 1 1
6 2138 1 1 10 ARG HH12 H 1.011 -3.415 6.979 1.00 . A A . 10 ARG HH12 1 1
6 2139 1 1 10 ARG HH21 H 2.973 -6.716 5.732 1.00 . A A . 10 ARG HH21 1 1
6 2140 1 1 10 ARG HH22 H 3.862 -5.341 6.309 1.00 . A A . 10 ARG HH22 1 1
6 2141 1 1 10 ARG N N -2.270 -7.276 2.036 1.00 . A A . 10 ARG N 1 1
6 2142 1 1 10 ARG NE N 0.689 -5.721 6.005 1.00 . A A . 10 ARG NE 1 1
6 2143 1 1 10 ARG NH1 N 1.868 -3.900 6.794 1.00 . A A . 10 ARG NH1 1 1
6 2144 1 1 10 ARG NH2 N 2.985 -5.780 6.094 1.00 . A A . 10 ARG NH2 1 1
6 2145 1 1 10 ARG O O -4.765 -6.585 4.419 1.00 . A A . 10 ARG O 1 1
6 2146 1 1 11 TYR C C -6.531 -5.057 1.940 1.00 . A A . 11 TYR C 1 1
6 2147 1 1 11 TYR CA C -5.369 -4.484 2.750 1.00 . A A . 11 TYR CA 1 1
6 2148 1 1 11 TYR CB C -5.043 -3.053 2.331 1.00 . A A . 11 TYR CB 1 1
6 2149 1 1 11 TYR CD1 C -4.718 -1.785 4.492 1.00 . A A . 11 TYR CD1 1 1
6 2150 1 1 11 TYR CD2 C -2.811 -2.217 3.135 1.00 . A A . 11 TYR CD2 1 1
6 2151 1 1 11 TYR CE1 C -3.925 -1.118 5.402 1.00 . A A . 11 TYR CE1 1 1
6 2152 1 1 11 TYR CE2 C -2.010 -1.557 4.042 1.00 . A A . 11 TYR CE2 1 1
6 2153 1 1 11 TYR CG C -4.177 -2.345 3.345 1.00 . A A . 11 TYR CG 1 1
6 2154 1 1 11 TYR CZ C -2.597 -1.081 5.247 1.00 . A A . 11 TYR CZ 1 1
6 2155 1 1 11 TYR H H -3.518 -5.147 1.953 1.00 . A A . 11 TYR H 1 1
6 2156 1 1 11 TYR HA H -5.668 -4.468 3.787 1.00 . A A . 11 TYR HA 1 1
6 2157 1 1 11 TYR HB2 H -4.518 -3.062 1.387 1.00 . A A . 11 TYR HB2 1 1
6 2158 1 1 11 TYR HB3 H -5.959 -2.497 2.231 1.00 . A A . 11 TYR HB3 1 1
6 2159 1 1 11 TYR HD1 H -5.782 -1.875 4.670 1.00 . A A . 11 TYR HD1 1 1
6 2160 1 1 11 TYR HD2 H -2.375 -2.647 2.248 1.00 . A A . 11 TYR HD2 1 1
6 2161 1 1 11 TYR HE1 H -4.366 -0.689 6.289 1.00 . A A . 11 TYR HE1 1 1
6 2162 1 1 11 TYR HE2 H -0.950 -1.469 3.861 1.00 . A A . 11 TYR HE2 1 1
6 2163 1 1 11 TYR HH H -1.255 0.333 5.594 1.00 . A A . 11 TYR HH 1 1
6 2164 1 1 11 TYR N N -4.177 -5.314 2.667 1.00 . A A . 11 TYR N 1 1
6 2165 1 1 11 TYR O O -7.578 -4.418 1.824 1.00 . A A . 11 TYR O 1 1
6 2166 1 1 11 TYR OH O -1.775 -0.331 6.071 1.00 . A A . 11 TYR OH 1 1
6 2167 1 1 12 ABA C C -8.567 -6.332 0.278 1.00 . A A . 12 AIB C 1 1
6 2168 1 1 12 ABA CA C -7.346 -7.119 0.777 1.00 . A A . 12 AIB CA 1 1
6 2169 1 1 12 ABA H H -5.384 -6.595 1.402 1.00 . A A . 12 AIB H 1 1
6 2170 1 1 12 ABA N N -6.305 -6.259 1.392 1.00 . A A . 12 AIB N 1 1
6 2171 1 1 12 ABA O O -9.646 -6.418 0.864 1.00 . A A . 12 AIB O 1 1
6 2172 1 1 13 GLY C C -9.364 -3.378 -1.405 1.00 . A A . 13 GLY C 1 1
6 2173 1 1 13 GLY CA C -9.538 -4.879 -1.369 1.00 . A A . 13 GLY CA 1 1
6 2174 1 1 13 GLY H H -7.511 -5.467 -1.190 1.00 . A A . 13 GLY H 1 1
6 2175 1 1 13 GLY HA2 H -9.683 -5.235 -2.376 1.00 . A A . 13 GLY HA2 1 1
6 2176 1 1 13 GLY HA3 H -10.415 -5.114 -0.788 1.00 . A A . 13 GLY HA3 1 1
6 2177 1 1 13 GLY N N -8.402 -5.568 -0.792 1.00 . A A . 13 GLY N 1 1
6 2178 1 1 13 GLY O O -9.896 -2.707 -2.293 1.00 . A A . 13 GLY O 1 1
6 2179 1 1 14 CYS C C -7.289 -1.049 -1.404 1.00 . A A . 14 CYS C 1 1
6 2180 1 1 14 CYS CA C -8.384 -1.409 -0.410 1.00 . A A . 14 CYS CA 1 1
6 2181 1 1 14 CYS CB C -7.969 -0.970 0.992 1.00 . A A . 14 CYS CB 1 1
6 2182 1 1 14 CYS H H -8.241 -3.417 0.249 1.00 . A A . 14 CYS H 1 1
6 2183 1 1 14 CYS HA H -9.295 -0.902 -0.689 1.00 . A A . 14 CYS HA 1 1
6 2184 1 1 14 CYS HB2 H -6.970 -1.313 1.182 1.00 . A A . 14 CYS HB2 1 1
6 2185 1 1 14 CYS HB3 H -7.985 0.110 1.040 1.00 . A A . 14 CYS HB3 1 1
6 2186 1 1 14 CYS N N -8.629 -2.841 -0.449 1.00 . A A . 14 CYS N 1 1
6 2187 1 1 14 CYS O O -6.450 -1.887 -1.746 1.00 . A A . 14 CYS O 1 1
6 2188 1 1 14 CYS SG S -9.038 -1.600 2.328 1.00 . A A . 14 CYS SG 1 1
6 2189 1 1 15 GLU C C -5.118 1.225 -2.039 1.00 . A A . 15 GLU C 1 1
6 2190 1 1 15 GLU CA C -6.299 0.650 -2.808 1.00 . A A . 15 GLU CA 1 1
6 2191 1 1 15 GLU CB C -6.873 1.707 -3.755 1.00 . A A . 15 GLU CB 1 1
6 2192 1 1 15 GLU CD C -8.343 2.189 -5.745 1.00 . A A . 15 GLU CD 1 1
6 2193 1 1 15 GLU CG C -7.936 1.173 -4.699 1.00 . A A . 15 GLU CG 1 1
6 2194 1 1 15 GLU H H -8.013 0.803 -1.580 1.00 . A A . 15 GLU H 1 1
6 2195 1 1 15 GLU HA H -5.963 -0.198 -3.384 1.00 . A A . 15 GLU HA 1 1
6 2196 1 1 15 GLU HB2 H -7.312 2.499 -3.166 1.00 . A A . 15 GLU HB2 1 1
6 2197 1 1 15 GLU HB3 H -6.070 2.115 -4.347 1.00 . A A . 15 GLU HB3 1 1
6 2198 1 1 15 GLU HG2 H -7.551 0.298 -5.201 1.00 . A A . 15 GLU HG2 1 1
6 2199 1 1 15 GLU HG3 H -8.809 0.901 -4.124 1.00 . A A . 15 GLU HG3 1 1
6 2200 1 1 15 GLU N N -7.310 0.183 -1.878 1.00 . A A . 15 GLU N 1 1
6 2201 1 1 15 GLU O O -5.304 2.074 -1.169 1.00 . A A . 15 GLU O 1 1
6 2202 1 1 15 GLU OE1 O -9.403 2.831 -5.574 1.00 . A A . 15 GLU OE1 1 1
6 2203 1 1 15 GLU OE2 O -7.607 2.354 -6.738 1.00 . A A . 15 GLU OE2 1 1
6 2204 1 1 16 MVA C C -1.555 1.659 -2.494 1.00 . A A . 16 MVA C 1 1
6 2205 1 1 16 MVA CA C -2.721 1.258 -1.585 1.00 . A A . 16 MVA CA 1 1
6 2206 1 1 16 MVA CB C -2.237 0.236 -0.508 1.00 . A A . 16 MVA CB 1 1
6 2207 1 1 16 MVA CG1 C -1.825 -1.101 -1.099 1.00 . A A . 16 MVA CG1 1 1
6 2208 1 1 16 MVA CG2 C -1.091 0.823 0.298 1.00 . A A . 16 MVA CG2 1 1
6 2209 1 1 16 MVA CN C -3.715 -0.147 -3.482 1.00 . A A . 16 MVA CN 1 1
6 2210 1 1 16 MVA HA H -3.006 2.153 -1.048 1.00 . A A . 16 MVA HA 1 1
6 2211 1 1 16 MVA HB H -3.056 0.053 0.172 1.00 . A A . 16 MVA HB 1 1
6 2212 1 1 16 MVA HG11 H -1.023 -0.948 -1.806 1.00 . A A . 16 MVA HG11 1 1
6 2213 1 1 16 MVA HG12 H -2.670 -1.547 -1.601 1.00 . A A . 16 MVA HG12 1 1
6 2214 1 1 16 MVA HG13 H -1.489 -1.754 -0.307 1.00 . A A . 16 MVA HG13 1 1
6 2215 1 1 16 MVA HG21 H -1.403 1.760 0.737 1.00 . A A . 16 MVA HG21 1 1
6 2216 1 1 16 MVA HG22 H -0.243 0.993 -0.351 1.00 . A A . 16 MVA HG22 1 1
6 2217 1 1 16 MVA HG23 H -0.812 0.134 1.081 1.00 . A A . 16 MVA HG23 1 1
6 2218 1 1 16 MVA HN1 H -2.662 -0.263 -3.694 1.00 . A A . 16 MVA HN1 1 1
6 2219 1 1 16 MVA HN2 H -4.216 0.253 -4.351 1.00 . A A . 16 MVA HN2 1 1
6 2220 1 1 16 MVA HN3 H -4.138 -1.109 -3.231 1.00 . A A . 16 MVA HN3 1 1
6 2221 1 1 16 MVA N N -3.889 0.782 -2.343 1.00 . A A . 16 MVA N 1 1
6 2222 1 1 16 MVA O O -0.912 0.832 -3.147 1.00 . A A . 16 MVA O 1 1
6 2223 1 1 17 ARG C C 1.029 3.616 -2.433 1.00 . A A . 17 ARG C 1 1
6 2224 1 1 17 ARG CA C -0.214 3.519 -3.298 1.00 . A A . 17 ARG CA 1 1
6 2225 1 1 17 ARG CB C -0.596 4.910 -3.797 1.00 . A A . 17 ARG CB 1 1
6 2226 1 1 17 ARG CD C 0.217 7.100 -4.727 1.00 . A A . 17 ARG CD 1 1
6 2227 1 1 17 ARG CG C 0.534 5.627 -4.510 1.00 . A A . 17 ARG CG 1 1
6 2228 1 1 17 ARG CZ C 1.814 8.979 -4.925 1.00 . A A . 17 ARG CZ 1 1
6 2229 1 1 17 ARG H H -1.856 3.556 -1.978 1.00 . A A . 17 ARG H 1 1
6 2230 1 1 17 ARG HA H -0.020 2.872 -4.138 1.00 . A A . 17 ARG HA 1 1
6 2231 1 1 17 ARG HB2 H -1.424 4.817 -4.480 1.00 . A A . 17 ARG HB2 1 1
6 2232 1 1 17 ARG HB3 H -0.900 5.510 -2.954 1.00 . A A . 17 ARG HB3 1 1
6 2233 1 1 17 ARG HD2 H -0.654 7.182 -5.361 1.00 . A A . 17 ARG HD2 1 1
6 2234 1 1 17 ARG HD3 H 0.006 7.556 -3.770 1.00 . A A . 17 ARG HD3 1 1
6 2235 1 1 17 ARG HE H 1.740 7.392 -6.150 1.00 . A A . 17 ARG HE 1 1
6 2236 1 1 17 ARG HG2 H 1.430 5.544 -3.914 1.00 . A A . 17 ARG HG2 1 1
6 2237 1 1 17 ARG HG3 H 0.692 5.155 -5.468 1.00 . A A . 17 ARG HG3 1 1
6 2238 1 1 17 ARG HH11 H 1.667 10.452 -3.535 1.00 . A A . 17 ARG HH11 1 1
6 2239 1 1 17 ARG HH12 H 0.538 9.142 -3.343 1.00 . A A . 17 ARG HH12 1 1
6 2240 1 1 17 ARG HH21 H 3.224 9.113 -6.374 1.00 . A A . 17 ARG HH21 1 1
6 2241 1 1 17 ARG HH22 H 3.195 10.427 -5.244 1.00 . A A . 17 ARG HH22 1 1
6 2242 1 1 17 ARG N N -1.300 2.955 -2.523 1.00 . A A . 17 ARG N 1 1
6 2243 1 1 17 ARG NE N 1.331 7.812 -5.357 1.00 . A A . 17 ARG NE 1 1
6 2244 1 1 17 ARG NH1 N 1.297 9.571 -3.853 1.00 . A A . 17 ARG NH1 1 1
6 2245 1 1 17 ARG NH2 N 2.822 9.552 -5.566 1.00 . A A . 17 ARG NH2 1 1
6 2246 1 1 17 ARG O O 1.030 4.315 -1.426 1.00 . A A . 17 ARG O 1 1
6 2247 1 1 18 CYS C C 4.211 4.068 -2.514 1.00 . A A . 18 CYS C 1 1
6 2248 1 1 18 CYS CA C 3.298 2.949 -2.034 1.00 . A A . 18 CYS CA 1 1
6 2249 1 1 18 CYS CB C 4.013 1.599 -2.099 1.00 . A A . 18 CYS CB 1 1
6 2250 1 1 18 CYS H H 2.037 2.391 -3.636 1.00 . A A . 18 CYS H 1 1
6 2251 1 1 18 CYS HA H 3.023 3.147 -1.008 1.00 . A A . 18 CYS HA 1 1
6 2252 1 1 18 CYS HB2 H 4.933 1.662 -1.539 1.00 . A A . 18 CYS HB2 1 1
6 2253 1 1 18 CYS HB3 H 3.377 0.845 -1.658 1.00 . A A . 18 CYS HB3 1 1
6 2254 1 1 18 CYS N N 2.077 2.922 -2.812 1.00 . A A . 18 CYS N 1 1
6 2255 1 1 18 CYS O O 4.438 4.235 -3.712 1.00 . A A . 18 CYS O 1 1
6 2256 1 1 18 CYS SG S 4.431 1.054 -3.785 1.00 . A A . 18 CYS SG 1 1
6 2257 1 1 19 ASP C C 6.893 5.760 -1.065 1.00 . A A . 19 ASP C 1 1
6 2258 1 1 19 ASP CA C 5.614 5.940 -1.869 1.00 . A A . 19 ASP CA 1 1
6 2259 1 1 19 ASP CB C 4.953 7.276 -1.533 1.00 . A A . 19 ASP CB 1 1
6 2260 1 1 19 ASP CG C 5.767 8.467 -1.996 1.00 . A A . 19 ASP CG 1 1
6 2261 1 1 19 ASP H H 4.481 4.662 -0.634 1.00 . A A . 19 ASP H 1 1
6 2262 1 1 19 ASP HA H 5.845 5.909 -2.922 1.00 . A A . 19 ASP HA 1 1
6 2263 1 1 19 ASP HB2 H 3.984 7.321 -2.006 1.00 . A A . 19 ASP HB2 1 1
6 2264 1 1 19 ASP HB3 H 4.828 7.345 -0.462 1.00 . A A . 19 ASP HB3 1 1
6 2265 1 1 19 ASP N N 4.713 4.843 -1.571 1.00 . A A . 19 ASP N 1 1
6 2266 1 1 19 ASP O O 7.021 6.283 0.044 1.00 . A A . 19 ASP O 1 1
6 2267 1 1 19 ASP OD1 O 6.531 9.031 -1.181 1.00 . A A . 19 ASP OD1 1 1
6 2268 1 1 19 ASP OD2 O 5.635 8.859 -3.173 1.00 . A A . 19 ASP OD2 1 1
6 2269 1 1 20 DPR C C 8.727 3.873 0.416 1.00 . A A . 20 DPR C 1 1
6 2270 1 1 20 DPR CA C 9.062 4.618 -0.877 1.00 . A A . 20 DPR CA 1 1
6 2271 1 1 20 DPR CB C 9.806 3.699 -1.846 1.00 . A A . 20 DPR CB 1 1
6 2272 1 1 20 DPR CD C 7.833 4.431 -2.965 1.00 . A A . 20 DPR CD 1 1
6 2273 1 1 20 DPR CG C 9.263 4.035 -3.189 1.00 . A A . 20 DPR CG 1 1
6 2274 1 1 20 DPR HA H 9.675 5.476 -0.657 1.00 . A A . 20 DPR HA 1 1
6 2275 1 1 20 DPR HB2 H 10.866 3.894 -1.784 1.00 . A A . 20 DPR HB2 1 1
6 2276 1 1 20 DPR HB3 H 9.609 2.669 -1.589 1.00 . A A . 20 DPR HB3 1 1
6 2277 1 1 20 DPR HD2 H 7.533 5.176 -3.686 1.00 . A A . 20 DPR HD2 1 1
6 2278 1 1 20 DPR HD3 H 7.187 3.568 -3.020 1.00 . A A . 20 DPR HD3 1 1
6 2279 1 1 20 DPR HG2 H 9.818 4.859 -3.615 1.00 . A A . 20 DPR HG2 1 1
6 2280 1 1 20 DPR HG3 H 9.317 3.171 -3.834 1.00 . A A . 20 DPR HG3 1 1
6 2281 1 1 20 DPR N N 7.849 4.990 -1.604 1.00 . A A . 20 DPR N 1 1
6 2282 1 1 20 DPR O O 8.098 2.814 0.387 1.00 . A A . 20 DPR O 1 1
6 2283 1 1 21 PRO C C 7.473 4.232 3.406 1.00 . A A . 21 PRO C 1 1
6 2284 1 1 21 PRO CA C 8.851 3.836 2.872 1.00 . A A . 21 PRO CA 1 1
6 2285 1 1 21 PRO CB C 9.952 4.432 3.741 1.00 . A A . 21 PRO CB 1 1
6 2286 1 1 21 PRO CD C 9.941 5.654 1.685 1.00 . A A . 21 PRO CD 1 1
6 2287 1 1 21 PRO CG C 10.166 5.788 3.169 1.00 . A A . 21 PRO CG 1 1
6 2288 1 1 21 PRO HA H 8.941 2.762 2.856 1.00 . A A . 21 PRO HA 1 1
6 2289 1 1 21 PRO HB2 H 9.621 4.477 4.768 1.00 . A A . 21 PRO HB2 1 1
6 2290 1 1 21 PRO HB3 H 10.843 3.829 3.667 1.00 . A A . 21 PRO HB3 1 1
6 2291 1 1 21 PRO HD2 H 9.396 6.506 1.307 1.00 . A A . 21 PRO HD2 1 1
6 2292 1 1 21 PRO HD3 H 10.882 5.549 1.168 1.00 . A A . 21 PRO HD3 1 1
6 2293 1 1 21 PRO HG2 H 9.456 6.480 3.596 1.00 . A A . 21 PRO HG2 1 1
6 2294 1 1 21 PRO HG3 H 11.175 6.117 3.368 1.00 . A A . 21 PRO HG3 1 1
6 2295 1 1 21 PRO N N 9.137 4.424 1.565 1.00 . A A . 21 PRO N 1 1
6 2296 1 1 21 PRO O O 7.121 3.913 4.543 1.00 . A A . 21 PRO O 1 1
6 2297 1 1 22 ARG C C 4.327 4.716 2.068 1.00 . A A . 22 ARG C 1 1
6 2298 1 1 22 ARG CA C 5.358 5.353 2.984 1.00 . A A . 22 ARG CA 1 1
6 2299 1 1 22 ARG CB C 5.216 6.877 2.930 1.00 . A A . 22 ARG CB 1 1
6 2300 1 1 22 ARG CD C 5.912 9.107 3.855 1.00 . A A . 22 ARG CD 1 1
6 2301 1 1 22 ARG CG C 6.229 7.620 3.783 1.00 . A A . 22 ARG CG 1 1
6 2302 1 1 22 ARG CZ C 3.809 10.331 4.304 1.00 . A A . 22 ARG CZ 1 1
6 2303 1 1 22 ARG H H 7.040 5.199 1.707 1.00 . A A . 22 ARG H 1 1
6 2304 1 1 22 ARG HA H 5.186 5.016 3.995 1.00 . A A . 22 ARG HA 1 1
6 2305 1 1 22 ARG HB2 H 5.337 7.198 1.906 1.00 . A A . 22 ARG HB2 1 1
6 2306 1 1 22 ARG HB3 H 4.226 7.147 3.267 1.00 . A A . 22 ARG HB3 1 1
6 2307 1 1 22 ARG HD2 H 6.735 9.616 4.335 1.00 . A A . 22 ARG HD2 1 1
6 2308 1 1 22 ARG HD3 H 5.795 9.485 2.851 1.00 . A A . 22 ARG HD3 1 1
6 2309 1 1 22 ARG HE H 4.508 8.810 5.399 1.00 . A A . 22 ARG HE 1 1
6 2310 1 1 22 ARG HG2 H 6.217 7.208 4.781 1.00 . A A . 22 ARG HG2 1 1
6 2311 1 1 22 ARG HG3 H 7.211 7.491 3.350 1.00 . A A . 22 ARG HG3 1 1
6 2312 1 1 22 ARG HH11 H 4.797 10.954 2.650 1.00 . A A . 22 ARG HH11 1 1
6 2313 1 1 22 ARG HH12 H 3.334 11.812 3.003 1.00 . A A . 22 ARG HH12 1 1
6 2314 1 1 22 ARG HH21 H 2.076 11.238 4.837 1.00 . A A . 22 ARG HH21 1 1
6 2315 1 1 22 ARG HH22 H 2.580 9.934 5.863 1.00 . A A . 22 ARG HH22 1 1
6 2316 1 1 22 ARG N N 6.701 4.945 2.595 1.00 . A A . 22 ARG N 1 1
6 2317 1 1 22 ARG NE N 4.683 9.372 4.610 1.00 . A A . 22 ARG NE 1 1
6 2318 1 1 22 ARG NH1 N 3.997 11.094 3.235 1.00 . A A . 22 ARG NH1 1 1
6 2319 1 1 22 ARG NH2 N 2.737 10.515 5.064 1.00 . A A . 22 ARG NH2 1 1
6 2320 1 1 22 ARG O O 4.681 4.067 1.086 1.00 . A A . 22 ARG O 1 1
6 2321 1 1 23 TYR C C 0.667 5.093 1.874 1.00 . A A . 23 TYR C 1 1
6 2322 1 1 23 TYR CA C 1.980 4.393 1.556 1.00 . A A . 23 TYR CA 1 1
6 2323 1 1 23 TYR CB C 1.816 2.881 1.712 1.00 . A A . 23 TYR CB 1 1
6 2324 1 1 23 TYR CD1 C 0.089 2.265 3.449 1.00 . A A . 23 TYR CD1 1 1
6 2325 1 1 23 TYR CD2 C 2.388 2.201 4.074 1.00 . A A . 23 TYR CD2 1 1
6 2326 1 1 23 TYR CE1 C -0.271 1.869 4.721 1.00 . A A . 23 TYR CE1 1 1
6 2327 1 1 23 TYR CE2 C 2.035 1.802 5.345 1.00 . A A . 23 TYR CE2 1 1
6 2328 1 1 23 TYR CG C 1.424 2.438 3.104 1.00 . A A . 23 TYR CG 1 1
6 2329 1 1 23 TYR CZ C 0.700 1.614 5.655 1.00 . A A . 23 TYR CZ 1 1
6 2330 1 1 23 TYR H H 2.835 5.339 3.240 1.00 . A A . 23 TYR H 1 1
6 2331 1 1 23 TYR HA H 2.241 4.607 0.532 1.00 . A A . 23 TYR HA 1 1
6 2332 1 1 23 TYR HB2 H 1.053 2.538 1.033 1.00 . A A . 23 TYR HB2 1 1
6 2333 1 1 23 TYR HB3 H 2.750 2.403 1.464 1.00 . A A . 23 TYR HB3 1 1
6 2334 1 1 23 TYR HD1 H -0.672 2.446 2.705 1.00 . A A . 23 TYR HD1 1 1
6 2335 1 1 23 TYR HD2 H 3.432 2.328 3.821 1.00 . A A . 23 TYR HD2 1 1
6 2336 1 1 23 TYR HE1 H -1.313 1.738 4.969 1.00 . A A . 23 TYR HE1 1 1
6 2337 1 1 23 TYR HE2 H 2.801 1.623 6.085 1.00 . A A . 23 TYR HE2 1 1
6 2338 1 1 23 TYR HH H 0.897 1.731 7.578 1.00 . A A . 23 TYR HH 1 1
6 2339 1 1 23 TYR N N 3.056 4.884 2.400 1.00 . A A . 23 TYR N 1 1
6 2340 1 1 23 TYR O O 0.474 5.615 2.975 1.00 . A A . 23 TYR O 1 1
6 2341 1 1 23 TYR OH O 0.356 1.245 6.936 1.00 . A A . 23 TYR OH 1 1
6 2342 1 1 24 GLU C C -2.572 4.532 0.822 1.00 . A A . 24 GLU C 1 1
6 2343 1 1 24 GLU CA C -1.559 5.641 1.054 1.00 . A A . 24 GLU CA 1 1
6 2344 1 1 24 GLU CB C -1.797 6.763 0.047 1.00 . A A . 24 GLU CB 1 1
6 2345 1 1 24 GLU CD C -1.105 9.015 -0.829 1.00 . A A . 24 GLU CD 1 1
6 2346 1 1 24 GLU CG C -0.840 7.931 0.189 1.00 . A A . 24 GLU CG 1 1
6 2347 1 1 24 GLU H H 0.031 4.718 0.030 1.00 . A A . 24 GLU H 1 1
6 2348 1 1 24 GLU HA H -1.660 6.022 2.057 1.00 . A A . 24 GLU HA 1 1
6 2349 1 1 24 GLU HB2 H -1.695 6.362 -0.947 1.00 . A A . 24 GLU HB2 1 1
6 2350 1 1 24 GLU HB3 H -2.802 7.134 0.172 1.00 . A A . 24 GLU HB3 1 1
6 2351 1 1 24 GLU HG2 H -0.947 8.351 1.178 1.00 . A A . 24 GLU HG2 1 1
6 2352 1 1 24 GLU HG3 H 0.170 7.570 0.057 1.00 . A A . 24 GLU HG3 1 1
6 2353 1 1 24 GLU N N -0.222 5.099 0.899 1.00 . A A . 24 GLU N 1 1
6 2354 1 1 24 GLU O O -2.467 3.810 -0.163 1.00 . A A . 24 GLU O 1 1
6 2355 1 1 24 GLU OE1 O -2.020 9.833 -0.605 1.00 . A A . 24 GLU OE1 1 1
6 2356 1 1 24 GLU OE2 O -0.400 9.057 -1.859 1.00 . A A . 24 GLU OE2 1 1
6 2357 1 1 25 MVA C C -5.977 3.673 1.765 1.00 . A A . 25 MVA C 1 1
6 2358 1 1 25 MVA CA C -4.521 3.259 1.536 1.00 . A A . 25 MVA CA 1 1
6 2359 1 1 25 MVA CB C -4.166 2.034 2.428 1.00 . A A . 25 MVA CB 1 1
6 2360 1 1 25 MVA CG1 C -4.139 2.374 3.910 1.00 . A A . 25 MVA CG1 1 1
6 2361 1 1 25 MVA CG2 C -5.136 0.895 2.164 1.00 . A A . 25 MVA CG2 1 1
6 2362 1 1 25 MVA CN C -3.739 5.361 2.792 1.00 . A A . 25 MVA CN 1 1
6 2363 1 1 25 MVA HA H -4.464 2.914 0.511 1.00 . A A . 25 MVA HA 1 1
6 2364 1 1 25 MVA HB H -3.178 1.695 2.151 1.00 . A A . 25 MVA HB 1 1
6 2365 1 1 25 MVA HG11 H -3.955 1.475 4.481 1.00 . A A . 25 MVA HG11 1 1
6 2366 1 1 25 MVA HG12 H -5.088 2.798 4.198 1.00 . A A . 25 MVA HG12 1 1
6 2367 1 1 25 MVA HG13 H -3.350 3.088 4.099 1.00 . A A . 25 MVA HG13 1 1
6 2368 1 1 25 MVA HG21 H -5.059 0.587 1.130 1.00 . A A . 25 MVA HG21 1 1
6 2369 1 1 25 MVA HG22 H -6.145 1.228 2.366 1.00 . A A . 25 MVA HG22 1 1
6 2370 1 1 25 MVA HG23 H -4.896 0.060 2.807 1.00 . A A . 25 MVA HG23 1 1
6 2371 1 1 25 MVA HN1 H -2.937 5.248 3.505 1.00 . A A . 25 MVA HN1 1 1
6 2372 1 1 25 MVA HN2 H -4.686 5.194 3.283 1.00 . A A . 25 MVA HN2 1 1
6 2373 1 1 25 MVA HN3 H -3.717 6.360 2.383 1.00 . A A . 25 MVA HN3 1 1
6 2374 1 1 25 MVA N N -3.571 4.377 1.698 1.00 . A A . 25 MVA N 1 1
6 2375 1 1 25 MVA O O -6.383 4.066 2.860 1.00 . A A . 25 MVA O 1 1
6 2376 1 1 26 HIS C C -9.045 2.753 0.503 1.00 . A A . 26 HIS C 1 1
6 2377 1 1 26 HIS CA C -8.154 3.967 0.726 1.00 . A A . 26 HIS CA 1 1
6 2378 1 1 26 HIS CB C -8.425 5.010 -0.364 1.00 . A A . 26 HIS CB 1 1
6 2379 1 1 26 HIS CD2 C -6.283 6.487 -0.377 1.00 . A A . 26 HIS CD2 1 1
6 2380 1 1 26 HIS CE1 C -7.225 8.419 0.046 1.00 . A A . 26 HIS CE1 1 1
6 2381 1 1 26 HIS CG C -7.614 6.269 -0.240 1.00 . A A . 26 HIS CG 1 1
6 2382 1 1 26 HIS H H -6.388 3.182 -0.122 1.00 . A A . 26 HIS H 1 1
6 2383 1 1 26 HIS HA H -8.368 4.394 1.692 1.00 . A A . 26 HIS HA 1 1
6 2384 1 1 26 HIS HB2 H -8.208 4.573 -1.325 1.00 . A A . 26 HIS HB2 1 1
6 2385 1 1 26 HIS HB3 H -9.468 5.283 -0.331 1.00 . A A . 26 HIS HB3 1 1
6 2386 1 1 26 HIS HD1 H -9.128 7.678 0.175 1.00 . A A . 26 HIS HD1 1 1
6 2387 1 1 26 HIS HD2 H -5.530 5.741 -0.591 1.00 . A A . 26 HIS HD2 1 1
6 2388 1 1 26 HIS HE1 H -7.370 9.474 0.229 1.00 . A A . 26 HIS HE1 1 1
6 2389 1 1 26 HIS HE2 H -5.198 8.288 -0.235 1.00 . A A . 26 HIS HE2 1 1
6 2390 1 1 26 HIS N N -6.759 3.565 0.705 1.00 . A A . 26 HIS N 1 1
6 2391 1 1 26 HIS ND1 N -8.172 7.501 0.025 1.00 . A A . 26 HIS ND1 1 1
6 2392 1 1 26 HIS NE2 N -6.070 7.831 -0.194 1.00 . A A . 26 HIS NE2 1 1
6 2393 1 1 26 HIS O O -8.929 2.069 -0.514 1.00 . A A . 26 HIS O 1 1
6 2394 1 1 27 CYS C C -12.180 1.828 0.822 1.00 . A A . 27 CYS C 1 1
6 2395 1 1 27 CYS CA C -10.834 1.356 1.355 1.00 . A A . 27 CYS CA 1 1
6 2396 1 1 27 CYS CB C -11.010 0.666 2.709 1.00 . A A . 27 CYS CB 1 1
6 2397 1 1 27 CYS H H -9.932 3.034 2.267 1.00 . A A . 27 CYS H 1 1
6 2398 1 1 27 CYS HA H -10.414 0.650 0.655 1.00 . A A . 27 CYS HA 1 1
6 2399 1 1 27 CYS HB2 H -11.444 1.363 3.408 1.00 . A A . 27 CYS HB2 1 1
6 2400 1 1 27 CYS HB3 H -11.673 -0.176 2.591 1.00 . A A . 27 CYS HB3 1 1
6 2401 1 1 27 CYS N N -9.911 2.474 1.463 1.00 . A A . 27 CYS N 1 1
6 2402 1 1 27 CYS O O -12.573 1.486 -0.292 1.00 . A A . 27 CYS O 1 1
6 2403 1 1 27 CYS SG S -9.456 0.049 3.433 1.00 . A A . 27 CYS SG 1 1
6 2404 1 1 28 NH2 HN1 H -12.510 2.853 2.492 1.00 . A A . 28 NH2 HN1 1 1
6 2405 1 1 28 NH2 HN2 H -13.753 2.942 1.293 1.00 . A A . 28 NH2 HN2 1 1
6 2406 1 1 28 NH2 N N -12.884 2.619 1.615 1.00 . A A . 28 NH2 N 1 1
7 2407 1 1 1 ASN C C 8.626 -8.294 -3.205 1.00 . A A . 1 ASN C 1 1
7 2408 1 1 1 ASN CA C 8.125 -9.610 -3.790 1.00 . A A . 1 ASN CA 1 1
7 2409 1 1 1 ASN CB C 7.824 -10.610 -2.666 1.00 . A A . 1 ASN CB 1 1
7 2410 1 1 1 ASN CG C 6.675 -10.167 -1.779 1.00 . A A . 1 ASN CG 1 1
7 2411 1 1 1 ASN H1 H 10.018 -10.359 -4.197 1.00 . A A . 1 ASN H1 1 1
7 2412 1 1 1 ASN H2 H 9.337 -9.491 -5.473 1.00 . A A . 1 ASN H2 1 1
7 2413 1 1 1 ASN H3 H 8.792 -11.054 -5.132 1.00 . A A . 1 ASN H3 1 1
7 2414 1 1 1 ASN HA H 7.220 -9.421 -4.352 1.00 . A A . 1 ASN HA 1 1
7 2415 1 1 1 ASN HB2 H 7.570 -11.566 -3.099 1.00 . A A . 1 ASN HB2 1 1
7 2416 1 1 1 ASN HB3 H 8.706 -10.722 -2.051 1.00 . A A . 1 ASN HB3 1 1
7 2417 1 1 1 ASN HD21 H 7.471 -11.115 -0.225 1.00 . A A . 1 ASN HD21 1 1
7 2418 1 1 1 ASN HD22 H 5.979 -10.290 0.077 1.00 . A A . 1 ASN HD22 1 1
7 2419 1 1 1 ASN N N 9.139 -10.167 -4.713 1.00 . A A . 1 ASN N 1 1
7 2420 1 1 1 ASN ND2 N 6.713 -10.563 -0.519 1.00 . A A . 1 ASN ND2 1 1
7 2421 1 1 1 ASN O O 9.830 -8.098 -3.045 1.00 . A A . 1 ASN O 1 1
7 2422 1 1 1 ASN OD1 O 5.756 -9.482 -2.227 1.00 . A A . 1 ASN OD1 1 1
7 2423 1 1 2 ASP C C 7.141 -5.720 -1.216 1.00 . A A . 2 ASP C 1 1
7 2424 1 1 2 ASP CA C 8.059 -6.086 -2.372 1.00 . A A . 2 ASP CA 1 1
7 2425 1 1 2 ASP CB C 7.960 -5.025 -3.475 1.00 . A A . 2 ASP CB 1 1
7 2426 1 1 2 ASP CG C 8.491 -3.673 -3.040 1.00 . A A . 2 ASP CG 1 1
7 2427 1 1 2 ASP H H 6.755 -7.622 -3.007 1.00 . A A . 2 ASP H 1 1
7 2428 1 1 2 ASP HA H 9.075 -6.130 -2.013 1.00 . A A . 2 ASP HA 1 1
7 2429 1 1 2 ASP HB2 H 8.526 -5.354 -4.333 1.00 . A A . 2 ASP HB2 1 1
7 2430 1 1 2 ASP HB3 H 6.924 -4.910 -3.758 1.00 . A A . 2 ASP HB3 1 1
7 2431 1 1 2 ASP N N 7.703 -7.396 -2.895 1.00 . A A . 2 ASP N 1 1
7 2432 1 1 2 ASP O O 6.033 -6.257 -1.112 1.00 . A A . 2 ASP O 1 1
7 2433 1 1 2 ASP OD1 O 7.696 -2.837 -2.561 1.00 . A A . 2 ASP OD1 1 1
7 2434 1 1 2 ASP OD2 O 9.708 -3.440 -3.178 1.00 . A A . 2 ASP OD2 1 1
7 2435 1 1 3 ABA C C 5.464 -3.824 0.231 1.00 . A A . 3 AIB C 1 1
7 2436 1 1 3 ABA CA C 6.819 -4.302 0.763 1.00 . A A . 3 AIB CA 1 1
7 2437 1 1 3 ABA H H 8.532 -4.496 -0.470 1.00 . A A . 3 AIB H 1 1
7 2438 1 1 3 ABA N N 7.614 -4.820 -0.353 1.00 . A A . 3 AIB N 1 1
7 2439 1 1 3 ABA O O 4.417 -4.082 0.830 1.00 . A A . 3 AIB O 1 1
7 2440 1 1 4 CYS C C 3.336 -3.747 -1.900 1.00 . A A . 4 CYS C 1 1
7 2441 1 1 4 CYS CA C 4.300 -2.625 -1.541 1.00 . A A . 4 CYS CA 1 1
7 2442 1 1 4 CYS CB C 4.660 -1.837 -2.797 1.00 . A A . 4 CYS CB 1 1
7 2443 1 1 4 CYS H H 6.373 -3.002 -1.354 1.00 . A A . 4 CYS H 1 1
7 2444 1 1 4 CYS HA H 3.819 -1.964 -0.839 1.00 . A A . 4 CYS HA 1 1
7 2445 1 1 4 CYS HB2 H 5.230 -0.966 -2.514 1.00 . A A . 4 CYS HB2 1 1
7 2446 1 1 4 CYS HB3 H 5.262 -2.459 -3.440 1.00 . A A . 4 CYS HB3 1 1
7 2447 1 1 4 CYS N N 5.502 -3.148 -0.912 1.00 . A A . 4 CYS N 1 1
7 2448 1 1 4 CYS O O 2.134 -3.641 -1.664 1.00 . A A . 4 CYS O 1 1
7 2449 1 1 4 CYS SG S 3.223 -1.269 -3.760 1.00 . A A . 4 CYS SG 1 1
7 2450 1 1 5 LYS C C 2.387 -6.600 -1.664 1.00 . A A . 5 LYS C 1 1
7 2451 1 1 5 LYS CA C 3.039 -5.949 -2.875 1.00 . A A . 5 LYS CA 1 1
7 2452 1 1 5 LYS CB C 3.867 -6.980 -3.654 1.00 . A A . 5 LYS CB 1 1
7 2453 1 1 5 LYS CD C 3.892 -9.112 -4.993 1.00 . A A . 5 LYS CD 1 1
7 2454 1 1 5 LYS CE C 3.048 -10.156 -5.707 1.00 . A A . 5 LYS CE 1 1
7 2455 1 1 5 LYS CG C 3.029 -8.089 -4.276 1.00 . A A . 5 LYS CG 1 1
7 2456 1 1 5 LYS H H 4.841 -4.880 -2.570 1.00 . A A . 5 LYS H 1 1
7 2457 1 1 5 LYS HA H 2.265 -5.559 -3.516 1.00 . A A . 5 LYS HA 1 1
7 2458 1 1 5 LYS HB2 H 4.400 -6.474 -4.445 1.00 . A A . 5 LYS HB2 1 1
7 2459 1 1 5 LYS HB3 H 4.583 -7.433 -2.981 1.00 . A A . 5 LYS HB3 1 1
7 2460 1 1 5 LYS HD2 H 4.504 -8.603 -5.722 1.00 . A A . 5 LYS HD2 1 1
7 2461 1 1 5 LYS HD3 H 4.526 -9.605 -4.270 1.00 . A A . 5 LYS HD3 1 1
7 2462 1 1 5 LYS HE2 H 2.436 -9.661 -6.445 1.00 . A A . 5 LYS HE2 1 1
7 2463 1 1 5 LYS HE3 H 3.707 -10.856 -6.200 1.00 . A A . 5 LYS HE3 1 1
7 2464 1 1 5 LYS HG2 H 2.471 -8.588 -3.498 1.00 . A A . 5 LYS HG2 1 1
7 2465 1 1 5 LYS HG3 H 2.344 -7.652 -4.987 1.00 . A A . 5 LYS HG3 1 1
7 2466 1 1 5 LYS HZ1 H 2.732 -11.370 -4.037 1.00 . A A . 5 LYS HZ1 1 1
7 2467 1 1 5 LYS HZ2 H 1.624 -11.624 -5.289 1.00 . A A . 5 LYS HZ2 1 1
7 2468 1 1 5 LYS HZ3 H 1.495 -10.250 -4.314 1.00 . A A . 5 LYS HZ3 1 1
7 2469 1 1 5 LYS N N 3.869 -4.830 -2.454 1.00 . A A . 5 LYS N 1 1
7 2470 1 1 5 LYS NZ N 2.164 -10.901 -4.772 1.00 . A A . 5 LYS NZ 1 1
7 2471 1 1 5 LYS O O 1.200 -6.926 -1.690 1.00 . A A . 5 LYS O 1 1
7 2472 1 1 6 ABA C C 1.526 -6.447 1.180 1.00 . A A . 6 AIB C 1 1
7 2473 1 1 6 ABA CA C 2.679 -7.317 0.662 1.00 . A A . 6 AIB CA 1 1
7 2474 1 1 6 ABA H H 4.118 -6.489 -0.664 1.00 . A A . 6 AIB H 1 1
7 2475 1 1 6 ABA N N 3.173 -6.758 -0.599 1.00 . A A . 6 AIB N 1 1
7 2476 1 1 6 ABA O O 0.491 -6.956 1.620 1.00 . A A . 6 AIB O 1 1
7 2477 1 1 7 LEU C C -0.553 -4.285 0.716 1.00 . A A . 7 LEU C 1 1
7 2478 1 1 7 LEU CA C 0.698 -4.193 1.573 1.00 . A A . 7 LEU CA 1 1
7 2479 1 1 7 LEU CB C 1.227 -2.758 1.557 1.00 . A A . 7 LEU CB 1 1
7 2480 1 1 7 LEU CD1 C 2.914 -1.061 2.284 1.00 . A A . 7 LEU CD1 1 1
7 2481 1 1 7 LEU CD2 C 2.167 -2.818 3.884 1.00 . A A . 7 LEU CD2 1 1
7 2482 1 1 7 LEU CG C 2.459 -2.502 2.426 1.00 . A A . 7 LEU CG 1 1
7 2483 1 1 7 LEU H H 2.553 -4.781 0.733 1.00 . A A . 7 LEU H 1 1
7 2484 1 1 7 LEU HA H 0.441 -4.461 2.585 1.00 . A A . 7 LEU HA 1 1
7 2485 1 1 7 LEU HB2 H 1.468 -2.500 0.538 1.00 . A A . 7 LEU HB2 1 1
7 2486 1 1 7 LEU HB3 H 0.436 -2.106 1.895 1.00 . A A . 7 LEU HB3 1 1
7 2487 1 1 7 LEU HD11 H 3.181 -0.866 1.256 1.00 . A A . 7 LEU HD11 1 1
7 2488 1 1 7 LEU HD12 H 3.771 -0.889 2.917 1.00 . A A . 7 LEU HD12 1 1
7 2489 1 1 7 LEU HD13 H 2.110 -0.403 2.579 1.00 . A A . 7 LEU HD13 1 1
7 2490 1 1 7 LEU HD21 H 1.927 -3.865 3.986 1.00 . A A . 7 LEU HD21 1 1
7 2491 1 1 7 LEU HD22 H 1.333 -2.221 4.219 1.00 . A A . 7 LEU HD22 1 1
7 2492 1 1 7 LEU HD23 H 3.037 -2.589 4.482 1.00 . A A . 7 LEU HD23 1 1
7 2493 1 1 7 LEU HG H 3.265 -3.141 2.095 1.00 . A A . 7 LEU HG 1 1
7 2494 1 1 7 LEU N N 1.711 -5.130 1.108 1.00 . A A . 7 LEU N 1 1
7 2495 1 1 7 LEU O O -1.664 -4.265 1.232 1.00 . A A . 7 LEU O 1 1
7 2496 1 1 8 LYS C C -2.307 -5.761 -1.192 1.00 . A A . 8 LYS C 1 1
7 2497 1 1 8 LYS CA C -1.498 -4.511 -1.503 1.00 . A A . 8 LYS CA 1 1
7 2498 1 1 8 LYS CB C -1.034 -4.521 -2.963 1.00 . A A . 8 LYS CB 1 1
7 2499 1 1 8 LYS CD C -0.180 -3.224 -4.944 1.00 . A A . 8 LYS CD 1 1
7 2500 1 1 8 LYS CE C 0.254 -1.862 -5.477 1.00 . A A . 8 LYS CE 1 1
7 2501 1 1 8 LYS CG C -0.560 -3.165 -3.473 1.00 . A A . 8 LYS CG 1 1
7 2502 1 1 8 LYS H H 0.545 -4.397 -0.949 1.00 . A A . 8 LYS H 1 1
7 2503 1 1 8 LYS HA H -2.129 -3.652 -1.344 1.00 . A A . 8 LYS HA 1 1
7 2504 1 1 8 LYS HB2 H -0.219 -5.222 -3.062 1.00 . A A . 8 LYS HB2 1 1
7 2505 1 1 8 LYS HB3 H -1.855 -4.848 -3.586 1.00 . A A . 8 LYS HB3 1 1
7 2506 1 1 8 LYS HD2 H 0.635 -3.922 -5.066 1.00 . A A . 8 LYS HD2 1 1
7 2507 1 1 8 LYS HD3 H -1.034 -3.566 -5.511 1.00 . A A . 8 LYS HD3 1 1
7 2508 1 1 8 LYS HE2 H 1.082 -1.507 -4.881 1.00 . A A . 8 LYS HE2 1 1
7 2509 1 1 8 LYS HE3 H 0.576 -1.979 -6.501 1.00 . A A . 8 LYS HE3 1 1
7 2510 1 1 8 LYS HG2 H -1.354 -2.445 -3.346 1.00 . A A . 8 LYS HG2 1 1
7 2511 1 1 8 LYS HG3 H 0.301 -2.856 -2.899 1.00 . A A . 8 LYS HG3 1 1
7 2512 1 1 8 LYS HZ1 H -0.543 0.025 -5.889 1.00 . A A . 8 LYS HZ1 1 1
7 2513 1 1 8 LYS HZ2 H -1.093 -0.641 -4.438 1.00 . A A . 8 LYS HZ2 1 1
7 2514 1 1 8 LYS HZ3 H -1.688 -1.220 -5.912 1.00 . A A . 8 LYS HZ3 1 1
7 2515 1 1 8 LYS N N -0.369 -4.394 -0.592 1.00 . A A . 8 LYS N 1 1
7 2516 1 1 8 LYS NZ N -0.843 -0.857 -5.425 1.00 . A A . 8 LYS NZ 1 1
7 2517 1 1 8 LYS O O -3.527 -5.699 -1.087 1.00 . A A . 8 LYS O 1 1
7 2518 1 1 9 ABA C C -2.980 -8.008 0.676 1.00 . A A . 9 AIB C 1 1
7 2519 1 1 9 ABA CA C -2.246 -8.157 -0.663 1.00 . A A . 9 AIB CA 1 1
7 2520 1 1 9 ABA H H -0.633 -6.852 -1.123 1.00 . A A . 9 AIB H 1 1
7 2521 1 1 9 ABA N N -1.609 -6.881 -1.014 1.00 . A A . 9 AIB N 1 1
7 2522 1 1 9 ABA O O -4.069 -8.555 0.868 1.00 . A A . 9 AIB O 1 1
7 2523 1 1 10 ARG C C -4.210 -6.199 2.827 1.00 . A A . 10 ARG C 1 1
7 2524 1 1 10 ARG CA C -2.948 -7.051 2.920 1.00 . A A . 10 ARG CA 1 1
7 2525 1 1 10 ARG CB C -1.926 -6.374 3.841 1.00 . A A . 10 ARG CB 1 1
7 2526 1 1 10 ARG CD C -1.421 -5.402 6.114 1.00 . A A . 10 ARG CD 1 1
7 2527 1 1 10 ARG CG C -2.439 -6.137 5.252 1.00 . A A . 10 ARG CG 1 1
7 2528 1 1 10 ARG CZ C 0.451 -6.240 7.501 1.00 . A A . 10 ARG CZ 1 1
7 2529 1 1 10 ARG H H -1.497 -6.861 1.386 1.00 . A A . 10 ARG H 1 1
7 2530 1 1 10 ARG HA H -3.208 -8.014 3.330 1.00 . A A . 10 ARG HA 1 1
7 2531 1 1 10 ARG HB2 H -1.045 -6.995 3.902 1.00 . A A . 10 ARG HB2 1 1
7 2532 1 1 10 ARG HB3 H -1.654 -5.418 3.416 1.00 . A A . 10 ARG HB3 1 1
7 2533 1 1 10 ARG HD2 H -1.158 -4.476 5.622 1.00 . A A . 10 ARG HD2 1 1
7 2534 1 1 10 ARG HD3 H -1.874 -5.181 7.068 1.00 . A A . 10 ARG HD3 1 1
7 2535 1 1 10 ARG HE H 0.168 -6.680 5.567 1.00 . A A . 10 ARG HE 1 1
7 2536 1 1 10 ARG HG2 H -3.340 -5.547 5.198 1.00 . A A . 10 ARG HG2 1 1
7 2537 1 1 10 ARG HG3 H -2.661 -7.091 5.707 1.00 . A A . 10 ARG HG3 1 1
7 2538 1 1 10 ARG HH11 H 0.463 -5.668 9.447 1.00 . A A . 10 ARG HH11 1 1
7 2539 1 1 10 ARG HH12 H -0.896 -5.117 8.523 1.00 . A A . 10 ARG HH12 1 1
7 2540 1 1 10 ARG HH21 H 2.072 -6.986 8.468 1.00 . A A . 10 ARG HH21 1 1
7 2541 1 1 10 ARG HH22 H 1.933 -7.424 6.795 1.00 . A A . 10 ARG HH22 1 1
7 2542 1 1 10 ARG N N -2.369 -7.270 1.600 1.00 . A A . 10 ARG N 1 1
7 2543 1 1 10 ARG NE N -0.200 -6.183 6.336 1.00 . A A . 10 ARG NE 1 1
7 2544 1 1 10 ARG NH1 N -0.031 -5.621 8.575 1.00 . A A . 10 ARG NH1 1 1
7 2545 1 1 10 ARG NH2 N 1.575 -6.937 7.595 1.00 . A A . 10 ARG NH2 1 1
7 2546 1 1 10 ARG O O -5.210 -6.473 3.489 1.00 . A A . 10 ARG O 1 1
7 2547 1 1 11 TYR C C -6.082 -4.522 0.607 1.00 . A A . 11 TYR C 1 1
7 2548 1 1 11 TYR CA C -5.256 -4.234 1.853 1.00 . A A . 11 TYR CA 1 1
7 2549 1 1 11 TYR CB C -4.712 -2.807 1.793 1.00 . A A . 11 TYR CB 1 1
7 2550 1 1 11 TYR CD1 C -4.807 -1.952 4.164 1.00 . A A . 11 TYR CD1 1 1
7 2551 1 1 11 TYR CD2 C -2.669 -2.314 3.182 1.00 . A A . 11 TYR CD2 1 1
7 2552 1 1 11 TYR CE1 C -4.208 -1.536 5.334 1.00 . A A . 11 TYR CE1 1 1
7 2553 1 1 11 TYR CE2 C -2.059 -1.899 4.349 1.00 . A A . 11 TYR CE2 1 1
7 2554 1 1 11 TYR CG C -4.050 -2.346 3.070 1.00 . A A . 11 TYR CG 1 1
7 2555 1 1 11 TYR CZ C -2.833 -1.484 5.413 1.00 . A A . 11 TYR CZ 1 1
7 2556 1 1 11 TYR H H -3.361 -5.062 1.426 1.00 . A A . 11 TYR H 1 1
7 2557 1 1 11 TYR HA H -5.888 -4.332 2.723 1.00 . A A . 11 TYR HA 1 1
7 2558 1 1 11 TYR HB2 H -3.979 -2.745 1.003 1.00 . A A . 11 TYR HB2 1 1
7 2559 1 1 11 TYR HB3 H -5.523 -2.132 1.576 1.00 . A A . 11 TYR HB3 1 1
7 2560 1 1 11 TYR HD1 H -5.886 -1.971 4.090 1.00 . A A . 11 TYR HD1 1 1
7 2561 1 1 11 TYR HD2 H -2.066 -2.616 2.338 1.00 . A A . 11 TYR HD2 1 1
7 2562 1 1 11 TYR HE1 H -4.817 -1.235 6.171 1.00 . A A . 11 TYR HE1 1 1
7 2563 1 1 11 TYR HE2 H -0.982 -1.882 4.417 1.00 . A A . 11 TYR HE2 1 1
7 2564 1 1 11 TYR HH H -1.420 -0.613 6.375 1.00 . A A . 11 TYR HH 1 1
7 2565 1 1 11 TYR N N -4.161 -5.181 1.985 1.00 . A A . 11 TYR N 1 1
7 2566 1 1 11 TYR O O -6.519 -3.600 -0.073 1.00 . A A . 11 TYR O 1 1
7 2567 1 1 11 TYR OH O -2.227 -1.097 6.589 1.00 . A A . 11 TYR OH 1 1
7 2568 1 1 12 ABA C C -8.501 -5.632 -0.796 1.00 . A A . 12 AIB C 1 1
7 2569 1 1 12 ABA CA C -7.094 -6.247 -0.829 1.00 . A A . 12 AIB CA 1 1
7 2570 1 1 12 ABA H H -5.902 -6.481 0.918 1.00 . A A . 12 AIB H 1 1
7 2571 1 1 12 ABA N N -6.301 -5.803 0.331 1.00 . A A . 12 AIB N 1 1
7 2572 1 1 12 ABA O O -9.115 -5.410 -1.840 1.00 . A A . 12 AIB O 1 1
7 2573 1 1 13 GLY C C -10.333 -3.278 0.367 1.00 . A A . 13 GLY C 1 1
7 2574 1 1 13 GLY CA C -10.338 -4.786 0.532 1.00 . A A . 13 GLY CA 1 1
7 2575 1 1 13 GLY H H -8.483 -5.567 1.202 1.00 . A A . 13 GLY H 1 1
7 2576 1 1 13 GLY HA2 H -10.980 -5.216 -0.221 1.00 . A A . 13 GLY HA2 1 1
7 2577 1 1 13 GLY HA3 H -10.730 -5.028 1.506 1.00 . A A . 13 GLY HA3 1 1
7 2578 1 1 13 GLY N N -9.011 -5.365 0.400 1.00 . A A . 13 GLY N 1 1
7 2579 1 1 13 GLY O O -11.380 -2.632 0.435 1.00 . A A . 13 GLY O 1 1
7 2580 1 1 14 CYS C C -8.070 -1.026 -1.205 1.00 . A A . 14 CYS C 1 1
7 2581 1 1 14 CYS CA C -8.985 -1.293 -0.012 1.00 . A A . 14 CYS CA 1 1
7 2582 1 1 14 CYS CB C -8.373 -0.704 1.263 1.00 . A A . 14 CYS CB 1 1
7 2583 1 1 14 CYS H H -8.363 -3.300 0.085 1.00 . A A . 14 CYS H 1 1
7 2584 1 1 14 CYS HA H -9.950 -0.847 -0.190 1.00 . A A . 14 CYS HA 1 1
7 2585 1 1 14 CYS HB2 H -7.364 -1.066 1.364 1.00 . A A . 14 CYS HB2 1 1
7 2586 1 1 14 CYS HB3 H -8.353 0.373 1.180 1.00 . A A . 14 CYS HB3 1 1
7 2587 1 1 14 CYS N N -9.155 -2.725 0.149 1.00 . A A . 14 CYS N 1 1
7 2588 1 1 14 CYS O O -7.701 -1.949 -1.930 1.00 . A A . 14 CYS O 1 1
7 2589 1 1 14 CYS SG S -9.268 -1.128 2.797 1.00 . A A . 14 CYS SG 1 1
7 2590 1 1 15 GLU C C -5.529 1.188 -1.825 1.00 . A A . 15 GLU C 1 1
7 2591 1 1 15 GLU CA C -6.772 0.582 -2.461 1.00 . A A . 15 GLU CA 1 1
7 2592 1 1 15 GLU CB C -7.391 1.569 -3.449 1.00 . A A . 15 GLU CB 1 1
7 2593 1 1 15 GLU CD C -9.105 1.987 -5.241 1.00 . A A . 15 GLU CD 1 1
7 2594 1 1 15 GLU CG C -8.547 0.994 -4.248 1.00 . A A . 15 GLU CG 1 1
7 2595 1 1 15 GLU H H -8.120 0.939 -0.875 1.00 . A A . 15 GLU H 1 1
7 2596 1 1 15 GLU HA H -6.495 -0.322 -2.982 1.00 . A A . 15 GLU HA 1 1
7 2597 1 1 15 GLU HB2 H -7.752 2.427 -2.902 1.00 . A A . 15 GLU HB2 1 1
7 2598 1 1 15 GLU HB3 H -6.628 1.890 -4.142 1.00 . A A . 15 GLU HB3 1 1
7 2599 1 1 15 GLU HG2 H -8.202 0.125 -4.786 1.00 . A A . 15 GLU HG2 1 1
7 2600 1 1 15 GLU HG3 H -9.332 0.707 -3.566 1.00 . A A . 15 GLU HG3 1 1
7 2601 1 1 15 GLU N N -7.725 0.227 -1.424 1.00 . A A . 15 GLU N 1 1
7 2602 1 1 15 GLU O O -5.642 2.100 -1.012 1.00 . A A . 15 GLU O 1 1
7 2603 1 1 15 GLU OE1 O -10.079 2.691 -4.902 1.00 . A A . 15 GLU OE1 1 1
7 2604 1 1 15 GLU OE2 O -8.579 2.063 -6.372 1.00 . A A . 15 GLU OE2 1 1
7 2605 1 1 16 MVA C C -1.976 1.505 -2.513 1.00 . A A . 16 MVA C 1 1
7 2606 1 1 16 MVA CA C -3.108 1.216 -1.526 1.00 . A A . 16 MVA CA 1 1
7 2607 1 1 16 MVA CB C -2.596 0.272 -0.392 1.00 . A A . 16 MVA CB 1 1
7 2608 1 1 16 MVA CG1 C -2.273 -1.125 -0.888 1.00 . A A . 16 MVA CG1 1 1
7 2609 1 1 16 MVA CG2 C -1.378 0.874 0.291 1.00 . A A . 16 MVA CG2 1 1
7 2610 1 1 16 MVA CN C -4.240 -0.285 -3.274 1.00 . A A . 16 MVA CN 1 1
7 2611 1 1 16 MVA HA H -3.343 2.160 -1.050 1.00 . A A . 16 MVA HA 1 1
7 2612 1 1 16 MVA HB H -3.378 0.185 0.347 1.00 . A A . 16 MVA HB 1 1
7 2613 1 1 16 MVA HG11 H -3.169 -1.585 -1.275 1.00 . A A . 16 MVA HG11 1 1
7 2614 1 1 16 MVA HG12 H -1.886 -1.714 -0.071 1.00 . A A . 16 MVA HG12 1 1
7 2615 1 1 16 MVA HG13 H -1.531 -1.063 -1.671 1.00 . A A . 16 MVA HG13 1 1
7 2616 1 1 16 MVA HG21 H -1.051 0.220 1.087 1.00 . A A . 16 MVA HG21 1 1
7 2617 1 1 16 MVA HG22 H -1.634 1.840 0.700 1.00 . A A . 16 MVA HG22 1 1
7 2618 1 1 16 MVA HG23 H -0.582 0.988 -0.431 1.00 . A A . 16 MVA HG23 1 1
7 2619 1 1 16 MVA HN1 H -4.664 -1.222 -2.945 1.00 . A A . 16 MVA HN1 1 1
7 2620 1 1 16 MVA HN2 H -3.203 -0.433 -3.541 1.00 . A A . 16 MVA HN2 1 1
7 2621 1 1 16 MVA HN3 H -4.784 0.072 -4.135 1.00 . A A . 16 MVA HN3 1 1
7 2622 1 1 16 MVA N N -4.329 0.711 -2.183 1.00 . A A . 16 MVA N 1 1
7 2623 1 1 16 MVA O O -1.415 0.611 -3.156 1.00 . A A . 16 MVA O 1 1
7 2624 1 1 17 ARG C C 0.726 3.228 -2.656 1.00 . A A . 17 ARG C 1 1
7 2625 1 1 17 ARG CA C -0.555 3.231 -3.460 1.00 . A A . 17 ARG CA 1 1
7 2626 1 1 17 ARG CB C -0.834 4.633 -3.989 1.00 . A A . 17 ARG CB 1 1
7 2627 1 1 17 ARG CD C -2.309 6.132 -5.359 1.00 . A A . 17 ARG CD 1 1
7 2628 1 1 17 ARG CG C -1.989 4.697 -4.971 1.00 . A A . 17 ARG CG 1 1
7 2629 1 1 17 ARG CZ C -1.188 8.096 -6.339 1.00 . A A . 17 ARG CZ 1 1
7 2630 1 1 17 ARG H H -2.128 3.440 -2.067 1.00 . A A . 17 ARG H 1 1
7 2631 1 1 17 ARG HA H -0.459 2.544 -4.286 1.00 . A A . 17 ARG HA 1 1
7 2632 1 1 17 ARG HB2 H -1.063 5.278 -3.154 1.00 . A A . 17 ARG HB2 1 1
7 2633 1 1 17 ARG HB3 H 0.051 5.001 -4.483 1.00 . A A . 17 ARG HB3 1 1
7 2634 1 1 17 ARG HD2 H -3.109 6.127 -6.084 1.00 . A A . 17 ARG HD2 1 1
7 2635 1 1 17 ARG HD3 H -2.632 6.664 -4.476 1.00 . A A . 17 ARG HD3 1 1
7 2636 1 1 17 ARG HE H -0.315 6.326 -6.016 1.00 . A A . 17 ARG HE 1 1
7 2637 1 1 17 ARG HG2 H -1.726 4.140 -5.859 1.00 . A A . 17 ARG HG2 1 1
7 2638 1 1 17 ARG HG3 H -2.861 4.253 -4.512 1.00 . A A . 17 ARG HG3 1 1
7 2639 1 1 17 ARG HH11 H -2.329 9.761 -6.539 1.00 . A A . 17 ARG HH11 1 1
7 2640 1 1 17 ARG HH12 H -3.132 8.391 -5.837 1.00 . A A . 17 ARG HH12 1 1
7 2641 1 1 17 ARG HH21 H 0.753 8.129 -6.925 1.00 . A A . 17 ARG HH21 1 1
7 2642 1 1 17 ARG HH22 H -0.119 9.615 -7.147 1.00 . A A . 17 ARG HH22 1 1
7 2643 1 1 17 ARG N N -1.643 2.780 -2.613 1.00 . A A . 17 ARG N 1 1
7 2644 1 1 17 ARG NE N -1.157 6.829 -5.934 1.00 . A A . 17 ARG NE 1 1
7 2645 1 1 17 ARG NH1 N -2.307 8.805 -6.231 1.00 . A A . 17 ARG NH1 1 1
7 2646 1 1 17 ARG NH2 N -0.098 8.658 -6.846 1.00 . A A . 17 ARG NH2 1 1
7 2647 1 1 17 ARG O O 0.696 3.432 -1.448 1.00 . A A . 17 ARG O 1 1
7 2648 1 1 18 CYS C C 4.170 3.789 -3.243 1.00 . A A . 18 CYS C 1 1
7 2649 1 1 18 CYS CA C 3.103 2.920 -2.598 1.00 . A A . 18 CYS CA 1 1
7 2650 1 1 18 CYS CB C 3.575 1.471 -2.539 1.00 . A A . 18 CYS CB 1 1
7 2651 1 1 18 CYS H H 1.822 2.866 -4.278 1.00 . A A . 18 CYS H 1 1
7 2652 1 1 18 CYS HA H 2.933 3.268 -1.591 1.00 . A A . 18 CYS HA 1 1
7 2653 1 1 18 CYS HB2 H 4.560 1.436 -2.097 1.00 . A A . 18 CYS HB2 1 1
7 2654 1 1 18 CYS HB3 H 2.890 0.902 -1.928 1.00 . A A . 18 CYS HB3 1 1
7 2655 1 1 18 CYS N N 1.842 2.997 -3.306 1.00 . A A . 18 CYS N 1 1
7 2656 1 1 18 CYS O O 4.300 3.836 -4.470 1.00 . A A . 18 CYS O 1 1
7 2657 1 1 18 CYS SG S 3.668 0.664 -4.168 1.00 . A A . 18 CYS SG 1 1
7 2658 1 1 19 ASP C C 7.280 4.771 -2.032 1.00 . A A . 19 ASP C 1 1
7 2659 1 1 19 ASP CA C 6.076 5.236 -2.838 1.00 . A A . 19 ASP CA 1 1
7 2660 1 1 19 ASP CB C 5.861 6.739 -2.652 1.00 . A A . 19 ASP CB 1 1
7 2661 1 1 19 ASP CG C 6.911 7.560 -3.376 1.00 . A A . 19 ASP CG 1 1
7 2662 1 1 19 ASP H H 4.695 4.466 -1.448 1.00 . A A . 19 ASP H 1 1
7 2663 1 1 19 ASP HA H 6.242 5.022 -3.882 1.00 . A A . 19 ASP HA 1 1
7 2664 1 1 19 ASP HB2 H 4.889 7.009 -3.034 1.00 . A A . 19 ASP HB2 1 1
7 2665 1 1 19 ASP HB3 H 5.909 6.974 -1.599 1.00 . A A . 19 ASP HB3 1 1
7 2666 1 1 19 ASP N N 4.919 4.480 -2.404 1.00 . A A . 19 ASP N 1 1
7 2667 1 1 19 ASP O O 7.520 5.255 -0.920 1.00 . A A . 19 ASP O 1 1
7 2668 1 1 19 ASP OD1 O 7.863 8.024 -2.714 1.00 . A A . 19 ASP OD1 1 1
7 2669 1 1 19 ASP OD2 O 6.794 7.752 -4.607 1.00 . A A . 19 ASP OD2 1 1
7 2670 1 1 20 DPR C C 8.605 2.467 -0.562 1.00 . A A . 20 DPR C 1 1
7 2671 1 1 20 DPR CA C 9.124 3.160 -1.823 1.00 . A A . 20 DPR CA 1 1
7 2672 1 1 20 DPR CB C 9.685 2.132 -2.805 1.00 . A A . 20 DPR CB 1 1
7 2673 1 1 20 DPR CD C 7.897 3.250 -3.919 1.00 . A A . 20 DPR CD 1 1
7 2674 1 1 20 DPR CG C 9.218 2.581 -4.146 1.00 . A A . 20 DPR CG 1 1
7 2675 1 1 20 DPR HA H 9.897 3.864 -1.561 1.00 . A A . 20 DPR HA 1 1
7 2676 1 1 20 DPR HB2 H 10.763 2.124 -2.741 1.00 . A A . 20 DPR HB2 1 1
7 2677 1 1 20 DPR HB3 H 9.300 1.155 -2.562 1.00 . A A . 20 DPR HB3 1 1
7 2678 1 1 20 DPR HD2 H 7.746 4.037 -4.641 1.00 . A A . 20 DPR HD2 1 1
7 2679 1 1 20 DPR HD3 H 7.093 2.532 -3.964 1.00 . A A . 20 DPR HD3 1 1
7 2680 1 1 20 DPR HG2 H 9.925 3.281 -4.568 1.00 . A A . 20 DPR HG2 1 1
7 2681 1 1 20 DPR HG3 H 9.100 1.729 -4.798 1.00 . A A . 20 DPR HG3 1 1
7 2682 1 1 20 DPR N N 8.035 3.800 -2.562 1.00 . A A . 20 DPR N 1 1
7 2683 1 1 20 DPR O O 7.794 1.542 -0.643 1.00 . A A . 20 DPR O 1 1
7 2684 1 1 21 PRO C C 7.282 2.959 2.364 1.00 . A A . 21 PRO C 1 1
7 2685 1 1 21 PRO CA C 8.609 2.357 1.895 1.00 . A A . 21 PRO CA 1 1
7 2686 1 1 21 PRO CB C 9.733 2.750 2.849 1.00 . A A . 21 PRO CB 1 1
7 2687 1 1 21 PRO CD C 10.103 3.936 0.799 1.00 . A A . 21 PRO CD 1 1
7 2688 1 1 21 PRO CG C 10.254 4.030 2.296 1.00 . A A . 21 PRO CG 1 1
7 2689 1 1 21 PRO HA H 8.523 1.282 1.860 1.00 . A A . 21 PRO HA 1 1
7 2690 1 1 21 PRO HB2 H 9.335 2.878 3.844 1.00 . A A . 21 PRO HB2 1 1
7 2691 1 1 21 PRO HB3 H 10.492 1.984 2.853 1.00 . A A . 21 PRO HB3 1 1
7 2692 1 1 21 PRO HD2 H 9.781 4.881 0.394 1.00 . A A . 21 PRO HD2 1 1
7 2693 1 1 21 PRO HD3 H 11.034 3.628 0.345 1.00 . A A . 21 PRO HD3 1 1
7 2694 1 1 21 PRO HG2 H 9.672 4.854 2.678 1.00 . A A . 21 PRO HG2 1 1
7 2695 1 1 21 PRO HG3 H 11.293 4.149 2.561 1.00 . A A . 21 PRO HG3 1 1
7 2696 1 1 21 PRO N N 9.066 2.904 0.616 1.00 . A A . 21 PRO N 1 1
7 2697 1 1 21 PRO O O 6.676 2.473 3.320 1.00 . A A . 21 PRO O 1 1
7 2698 1 1 22 ARG C C 4.421 4.232 1.297 1.00 . A A . 22 ARG C 1 1
7 2699 1 1 22 ARG CA C 5.625 4.720 2.085 1.00 . A A . 22 ARG CA 1 1
7 2700 1 1 22 ARG CB C 5.808 6.222 1.875 1.00 . A A . 22 ARG CB 1 1
7 2701 1 1 22 ARG CD C 7.123 8.293 2.415 1.00 . A A . 22 ARG CD 1 1
7 2702 1 1 22 ARG CG C 6.890 6.829 2.751 1.00 . A A . 22 ARG CG 1 1
7 2703 1 1 22 ARG CZ C 5.874 10.418 2.398 1.00 . A A . 22 ARG CZ 1 1
7 2704 1 1 22 ARG H H 7.308 4.292 0.870 1.00 . A A . 22 ARG H 1 1
7 2705 1 1 22 ARG HA H 5.458 4.526 3.134 1.00 . A A . 22 ARG HA 1 1
7 2706 1 1 22 ARG HB2 H 6.068 6.401 0.843 1.00 . A A . 22 ARG HB2 1 1
7 2707 1 1 22 ARG HB3 H 4.876 6.721 2.094 1.00 . A A . 22 ARG HB3 1 1
7 2708 1 1 22 ARG HD2 H 7.887 8.683 3.072 1.00 . A A . 22 ARG HD2 1 1
7 2709 1 1 22 ARG HD3 H 7.463 8.364 1.392 1.00 . A A . 22 ARG HD3 1 1
7 2710 1 1 22 ARG HE H 5.083 8.628 2.815 1.00 . A A . 22 ARG HE 1 1
7 2711 1 1 22 ARG HG2 H 6.590 6.749 3.785 1.00 . A A . 22 ARG HG2 1 1
7 2712 1 1 22 ARG HG3 H 7.809 6.282 2.597 1.00 . A A . 22 ARG HG3 1 1
7 2713 1 1 22 ARG HH11 H 7.844 10.598 1.953 1.00 . A A . 22 ARG HH11 1 1
7 2714 1 1 22 ARG HH12 H 6.945 12.080 1.948 1.00 . A A . 22 ARG HH12 1 1
7 2715 1 1 22 ARG HH21 H 4.697 12.065 2.429 1.00 . A A . 22 ARG HH21 1 1
7 2716 1 1 22 ARG HH22 H 3.898 10.572 2.809 1.00 . A A . 22 ARG HH22 1 1
7 2717 1 1 22 ARG N N 6.830 4.005 1.681 1.00 . A A . 22 ARG N 1 1
7 2718 1 1 22 ARG NE N 5.914 9.099 2.569 1.00 . A A . 22 ARG NE 1 1
7 2719 1 1 22 ARG NH1 N 6.975 11.086 2.073 1.00 . A A . 22 ARG NH1 1 1
7 2720 1 1 22 ARG NH2 N 4.735 11.070 2.557 1.00 . A A . 22 ARG NH2 1 1
7 2721 1 1 22 ARG O O 4.571 3.658 0.219 1.00 . A A . 22 ARG O 1 1
7 2722 1 1 23 TYR C C 0.816 4.878 1.603 1.00 . A A . 23 TYR C 1 1
7 2723 1 1 23 TYR CA C 2.012 4.041 1.167 1.00 . A A . 23 TYR CA 1 1
7 2724 1 1 23 TYR CB C 1.737 2.561 1.443 1.00 . A A . 23 TYR CB 1 1
7 2725 1 1 23 TYR CD1 C 0.178 2.074 3.364 1.00 . A A . 23 TYR CD1 1 1
7 2726 1 1 23 TYR CD2 C 2.517 2.112 3.805 1.00 . A A . 23 TYR CD2 1 1
7 2727 1 1 23 TYR CE1 C -0.072 1.787 4.690 1.00 . A A . 23 TYR CE1 1 1
7 2728 1 1 23 TYR CE2 C 2.277 1.824 5.134 1.00 . A A . 23 TYR CE2 1 1
7 2729 1 1 23 TYR CG C 1.473 2.241 2.899 1.00 . A A . 23 TYR CG 1 1
7 2730 1 1 23 TYR CZ C 0.995 1.643 5.569 1.00 . A A . 23 TYR CZ 1 1
7 2731 1 1 23 TYR H H 3.171 4.917 2.700 1.00 . A A . 23 TYR H 1 1
7 2732 1 1 23 TYR HA H 2.154 4.173 0.106 1.00 . A A . 23 TYR HA 1 1
7 2733 1 1 23 TYR HB2 H 0.874 2.253 0.876 1.00 . A A . 23 TYR HB2 1 1
7 2734 1 1 23 TYR HB3 H 2.590 1.984 1.125 1.00 . A A . 23 TYR HB3 1 1
7 2735 1 1 23 TYR HD1 H -0.645 2.170 2.671 1.00 . A A . 23 TYR HD1 1 1
7 2736 1 1 23 TYR HD2 H 3.533 2.238 3.458 1.00 . A A . 23 TYR HD2 1 1
7 2737 1 1 23 TYR HE1 H -1.088 1.659 5.031 1.00 . A A . 23 TYR HE1 1 1
7 2738 1 1 23 TYR HE2 H 3.102 1.727 5.823 1.00 . A A . 23 TYR HE2 1 1
7 2739 1 1 23 TYR HH H 1.263 1.967 7.451 1.00 . A A . 23 TYR HH 1 1
7 2740 1 1 23 TYR N N 3.231 4.462 1.833 1.00 . A A . 23 TYR N 1 1
7 2741 1 1 23 TYR O O 0.813 5.472 2.682 1.00 . A A . 23 TYR O 1 1
7 2742 1 1 23 TYR OH O 0.735 1.381 6.896 1.00 . A A . 23 TYR OH 1 1
7 2743 1 1 24 GLU C C -2.580 4.557 0.813 1.00 . A A . 24 GLU C 1 1
7 2744 1 1 24 GLU CA C -1.457 5.558 1.045 1.00 . A A . 24 GLU CA 1 1
7 2745 1 1 24 GLU CB C -1.672 6.789 0.162 1.00 . A A . 24 GLU CB 1 1
7 2746 1 1 24 GLU CD C -0.926 9.117 -0.461 1.00 . A A . 24 GLU CD 1 1
7 2747 1 1 24 GLU CG C -0.675 7.906 0.414 1.00 . A A . 24 GLU CG 1 1
7 2748 1 1 24 GLU H H -0.077 4.483 -0.130 1.00 . A A . 24 GLU H 1 1
7 2749 1 1 24 GLU HA H -1.449 5.851 2.081 1.00 . A A . 24 GLU HA 1 1
7 2750 1 1 24 GLU HB2 H -1.594 6.492 -0.873 1.00 . A A . 24 GLU HB2 1 1
7 2751 1 1 24 GLU HB3 H -2.664 7.174 0.340 1.00 . A A . 24 GLU HB3 1 1
7 2752 1 1 24 GLU HG2 H -0.744 8.207 1.448 1.00 . A A . 24 GLU HG2 1 1
7 2753 1 1 24 GLU HG3 H 0.319 7.534 0.212 1.00 . A A . 24 GLU HG3 1 1
7 2754 1 1 24 GLU N N -0.189 4.916 0.744 1.00 . A A . 24 GLU N 1 1
7 2755 1 1 24 GLU O O -2.654 3.950 -0.256 1.00 . A A . 24 GLU O 1 1
7 2756 1 1 24 GLU OE1 O -1.732 9.988 -0.065 1.00 . A A . 24 GLU OE1 1 1
7 2757 1 1 24 GLU OE2 O -0.317 9.207 -1.547 1.00 . A A . 24 GLU OE2 1 1
7 2758 1 1 25 MVA C C -5.930 3.872 1.886 1.00 . A A . 25 MVA C 1 1
7 2759 1 1 25 MVA CA C -4.519 3.335 1.640 1.00 . A A . 25 MVA CA 1 1
7 2760 1 1 25 MVA CB C -4.263 2.071 2.520 1.00 . A A . 25 MVA CB 1 1
7 2761 1 1 25 MVA CG1 C -4.204 2.377 4.011 1.00 . A A . 25 MVA CG1 1 1
7 2762 1 1 25 MVA CG2 C -5.324 1.017 2.245 1.00 . A A . 25 MVA CG2 1 1
7 2763 1 1 25 MVA CN C -3.451 5.254 2.975 1.00 . A A . 25 MVA CN 1 1
7 2764 1 1 25 MVA HA H -4.506 2.993 0.613 1.00 . A A . 25 MVA HA 1 1
7 2765 1 1 25 MVA HB H -3.308 1.655 2.234 1.00 . A A . 25 MVA HB 1 1
7 2766 1 1 25 MVA HG11 H -3.353 3.008 4.214 1.00 . A A . 25 MVA HG11 1 1
7 2767 1 1 25 MVA HG12 H -4.110 1.454 4.565 1.00 . A A . 25 MVA HG12 1 1
7 2768 1 1 25 MVA HG13 H -5.109 2.885 4.308 1.00 . A A . 25 MVA HG13 1 1
7 2769 1 1 25 MVA HG21 H -5.140 0.151 2.862 1.00 . A A . 25 MVA HG21 1 1
7 2770 1 1 25 MVA HG22 H -5.289 0.732 1.205 1.00 . A A . 25 MVA HG22 1 1
7 2771 1 1 25 MVA HG23 H -6.300 1.422 2.474 1.00 . A A . 25 MVA HG23 1 1
7 2772 1 1 25 MVA HN1 H -2.604 5.000 3.594 1.00 . A A . 25 MVA HN1 1 1
7 2773 1 1 25 MVA HN2 H -4.362 5.125 3.540 1.00 . A A . 25 MVA HN2 1 1
7 2774 1 1 25 MVA HN3 H -3.368 6.281 2.657 1.00 . A A . 25 MVA HN3 1 1
7 2775 1 1 25 MVA N N -3.480 4.370 1.788 1.00 . A A . 25 MVA N 1 1
7 2776 1 1 25 MVA O O -6.282 4.321 2.978 1.00 . A A . 25 MVA O 1 1
7 2777 1 1 26 HIS C C -9.052 3.092 0.948 1.00 . A A . 26 HIS C 1 1
7 2778 1 1 26 HIS CA C -8.105 4.278 0.882 1.00 . A A . 26 HIS CA 1 1
7 2779 1 1 26 HIS CB C -8.423 5.114 -0.357 1.00 . A A . 26 HIS CB 1 1
7 2780 1 1 26 HIS CD2 C -6.339 6.565 -0.875 1.00 . A A . 26 HIS CD2 1 1
7 2781 1 1 26 HIS CE1 C -7.188 8.525 -0.398 1.00 . A A . 26 HIS CE1 1 1
7 2782 1 1 26 HIS CG C -7.616 6.369 -0.476 1.00 . A A . 26 HIS CG 1 1
7 2783 1 1 26 HIS H H -6.398 3.407 0.009 1.00 . A A . 26 HIS H 1 1
7 2784 1 1 26 HIS HA H -8.229 4.882 1.765 1.00 . A A . 26 HIS HA 1 1
7 2785 1 1 26 HIS HB2 H -8.238 4.519 -1.237 1.00 . A A . 26 HIS HB2 1 1
7 2786 1 1 26 HIS HB3 H -9.464 5.390 -0.331 1.00 . A A . 26 HIS HB3 1 1
7 2787 1 1 26 HIS HD1 H -9.027 7.807 0.144 1.00 . A A . 26 HIS HD1 1 1
7 2788 1 1 26 HIS HD2 H -5.636 5.800 -1.177 1.00 . A A . 26 HIS HD2 1 1
7 2789 1 1 26 HIS HE1 H -7.298 9.590 -0.253 1.00 . A A . 26 HIS HE1 1 1
7 2790 1 1 26 HIS HE2 H -5.221 8.343 -0.945 1.00 . A A . 26 HIS HE2 1 1
7 2791 1 1 26 HIS N N -6.735 3.809 0.839 1.00 . A A . 26 HIS N 1 1
7 2792 1 1 26 HIS ND1 N -8.120 7.617 -0.183 1.00 . A A . 26 HIS ND1 1 1
7 2793 1 1 26 HIS NE2 N -6.099 7.913 -0.818 1.00 . A A . 26 HIS NE2 1 1
7 2794 1 1 26 HIS O O -9.022 2.220 0.083 1.00 . A A . 26 HIS O 1 1
7 2795 1 1 27 CYS C C -12.241 2.466 1.842 1.00 . A A . 27 CYS C 1 1
7 2796 1 1 27 CYS CA C -10.831 1.979 2.140 1.00 . A A . 27 CYS CA 1 1
7 2797 1 1 27 CYS CB C -10.747 1.411 3.554 1.00 . A A . 27 CYS CB 1 1
7 2798 1 1 27 CYS H H -9.851 3.778 2.635 1.00 . A A . 27 CYS H 1 1
7 2799 1 1 27 CYS HA H -10.576 1.203 1.436 1.00 . A A . 27 CYS HA 1 1
7 2800 1 1 27 CYS HB2 H -10.858 2.217 4.262 1.00 . A A . 27 CYS HB2 1 1
7 2801 1 1 27 CYS HB3 H -11.546 0.701 3.696 1.00 . A A . 27 CYS HB3 1 1
7 2802 1 1 27 CYS N N -9.876 3.057 1.973 1.00 . A A . 27 CYS N 1 1
7 2803 1 1 27 CYS O O -12.943 2.962 2.722 1.00 . A A . 27 CYS O 1 1
7 2804 1 1 27 CYS SG S -9.173 0.565 3.914 1.00 . A A . 27 CYS SG 1 1
7 2805 1 1 28 NH2 HN1 H -12.034 1.930 -0.056 1.00 . A A . 28 NH2 HN1 1 1
7 2806 1 1 28 NH2 HN2 H -13.547 2.647 0.365 1.00 . A A . 28 NH2 HN2 1 1
7 2807 1 1 28 NH2 N N -12.649 2.335 0.594 1.00 . A A . 28 NH2 N 1 1
8 2808 1 1 1 ASN C C 8.497 -9.318 -2.545 1.00 . A A . 1 ASN C 1 1
8 2809 1 1 1 ASN CA C 8.134 -10.777 -2.314 1.00 . A A . 1 ASN CA 1 1
8 2810 1 1 1 ASN CB C 8.526 -11.195 -0.893 1.00 . A A . 1 ASN CB 1 1
8 2811 1 1 1 ASN CG C 7.969 -12.552 -0.512 1.00 . A A . 1 ASN CG 1 1
8 2812 1 1 1 ASN H1 H 9.846 -11.531 -3.221 1.00 . A A . 1 ASN H1 1 1
8 2813 1 1 1 ASN H2 H 8.535 -11.356 -4.269 1.00 . A A . 1 ASN H2 1 1
8 2814 1 1 1 ASN H3 H 8.562 -12.631 -3.160 1.00 . A A . 1 ASN H3 1 1
8 2815 1 1 1 ASN HA H 7.068 -10.897 -2.441 1.00 . A A . 1 ASN HA 1 1
8 2816 1 1 1 ASN HB2 H 9.602 -11.240 -0.823 1.00 . A A . 1 ASN HB2 1 1
8 2817 1 1 1 ASN HB3 H 8.156 -10.462 -0.191 1.00 . A A . 1 ASN HB3 1 1
8 2818 1 1 1 ASN HD21 H 7.805 -11.976 1.382 1.00 . A A . 1 ASN HD21 1 1
8 2819 1 1 1 ASN HD22 H 7.283 -13.589 1.035 1.00 . A A . 1 ASN HD22 1 1
8 2820 1 1 1 ASN N N 8.817 -11.632 -3.309 1.00 . A A . 1 ASN N 1 1
8 2821 1 1 1 ASN ND2 N 7.658 -12.725 0.762 1.00 . A A . 1 ASN ND2 1 1
8 2822 1 1 1 ASN O O 9.556 -9.020 -3.095 1.00 . A A . 1 ASN O 1 1
8 2823 1 1 1 ASN OD1 O 7.811 -13.434 -1.358 1.00 . A A . 1 ASN OD1 1 1
8 2824 1 1 2 ASP C C 7.046 -6.215 -1.271 1.00 . A A . 2 ASP C 1 1
8 2825 1 1 2 ASP CA C 7.848 -6.988 -2.305 1.00 . A A . 2 ASP CA 1 1
8 2826 1 1 2 ASP CB C 7.451 -6.543 -3.716 1.00 . A A . 2 ASP CB 1 1
8 2827 1 1 2 ASP CG C 7.770 -5.086 -3.979 1.00 . A A . 2 ASP CG 1 1
8 2828 1 1 2 ASP H H 6.788 -8.713 -1.700 1.00 . A A . 2 ASP H 1 1
8 2829 1 1 2 ASP HA H 8.899 -6.796 -2.152 1.00 . A A . 2 ASP HA 1 1
8 2830 1 1 2 ASP HB2 H 7.980 -7.143 -4.439 1.00 . A A . 2 ASP HB2 1 1
8 2831 1 1 2 ASP HB3 H 6.390 -6.688 -3.844 1.00 . A A . 2 ASP HB3 1 1
8 2832 1 1 2 ASP N N 7.617 -8.416 -2.138 1.00 . A A . 2 ASP N 1 1
8 2833 1 1 2 ASP O O 5.937 -6.620 -0.929 1.00 . A A . 2 ASP O 1 1
8 2834 1 1 2 ASP OD1 O 6.865 -4.240 -3.826 1.00 . A A . 2 ASP OD1 1 1
8 2835 1 1 2 ASP OD2 O 8.927 -4.780 -4.337 1.00 . A A . 2 ASP OD2 1 1
8 2836 1 1 3 ABA C C 5.558 -3.875 -0.231 1.00 . A A . 3 AIB C 1 1
8 2837 1 1 3 ABA CA C 6.961 -4.279 0.244 1.00 . A A . 3 AIB CA 1 1
8 2838 1 1 3 ABA H H 8.501 -4.857 -1.099 1.00 . A A . 3 AIB H 1 1
8 2839 1 1 3 ABA N N 7.614 -5.116 -0.774 1.00 . A A . 3 AIB N 1 1
8 2840 1 1 3 ABA O O 4.567 -4.007 0.498 1.00 . A A . 3 AIB O 1 1
8 2841 1 1 4 CYS C C 3.266 -4.095 -2.241 1.00 . A A . 4 CYS C 1 1
8 2842 1 1 4 CYS CA C 4.225 -2.935 -2.025 1.00 . A A . 4 CYS CA 1 1
8 2843 1 1 4 CYS CB C 4.463 -2.200 -3.341 1.00 . A A . 4 CYS CB 1 1
8 2844 1 1 4 CYS H H 6.290 -3.389 -2.027 1.00 . A A . 4 CYS H 1 1
8 2845 1 1 4 CYS HA H 3.787 -2.252 -1.317 1.00 . A A . 4 CYS HA 1 1
8 2846 1 1 4 CYS HB2 H 5.139 -1.379 -3.166 1.00 . A A . 4 CYS HB2 1 1
8 2847 1 1 4 CYS HB3 H 4.907 -2.881 -4.049 1.00 . A A . 4 CYS HB3 1 1
8 2848 1 1 4 CYS N N 5.481 -3.406 -1.468 1.00 . A A . 4 CYS N 1 1
8 2849 1 1 4 CYS O O 2.056 -3.942 -2.099 1.00 . A A . 4 CYS O 1 1
8 2850 1 1 4 CYS SG S 2.953 -1.516 -4.099 1.00 . A A . 4 CYS SG 1 1
8 2851 1 1 5 LYS C C 2.386 -6.893 -1.455 1.00 . A A . 5 LYS C 1 1
8 2852 1 1 5 LYS CA C 2.995 -6.443 -2.776 1.00 . A A . 5 LYS CA 1 1
8 2853 1 1 5 LYS CB C 3.819 -7.575 -3.392 1.00 . A A . 5 LYS CB 1 1
8 2854 1 1 5 LYS CD C 3.858 -9.914 -4.314 1.00 . A A . 5 LYS CD 1 1
8 2855 1 1 5 LYS CE C 3.020 -11.074 -4.829 1.00 . A A . 5 LYS CE 1 1
8 2856 1 1 5 LYS CG C 2.987 -8.788 -3.788 1.00 . A A . 5 LYS CG 1 1
8 2857 1 1 5 LYS H H 4.787 -5.320 -2.666 1.00 . A A . 5 LYS H 1 1
8 2858 1 1 5 LYS HA H 2.197 -6.175 -3.451 1.00 . A A . 5 LYS HA 1 1
8 2859 1 1 5 LYS HB2 H 4.319 -7.203 -4.274 1.00 . A A . 5 LYS HB2 1 1
8 2860 1 1 5 LYS HB3 H 4.562 -7.894 -2.676 1.00 . A A . 5 LYS HB3 1 1
8 2861 1 1 5 LYS HD2 H 4.468 -9.536 -5.121 1.00 . A A . 5 LYS HD2 1 1
8 2862 1 1 5 LYS HD3 H 4.494 -10.266 -3.515 1.00 . A A . 5 LYS HD3 1 1
8 2863 1 1 5 LYS HE2 H 2.400 -10.720 -5.640 1.00 . A A . 5 LYS HE2 1 1
8 2864 1 1 5 LYS HE3 H 3.683 -11.843 -5.192 1.00 . A A . 5 LYS HE3 1 1
8 2865 1 1 5 LYS HG2 H 2.445 -9.142 -2.923 1.00 . A A . 5 LYS HG2 1 1
8 2866 1 1 5 LYS HG3 H 2.286 -8.497 -4.559 1.00 . A A . 5 LYS HG3 1 1
8 2867 1 1 5 LYS HZ1 H 2.719 -11.967 -2.965 1.00 . A A . 5 LYS HZ1 1 1
8 2868 1 1 5 LYS HZ2 H 1.617 -12.460 -4.146 1.00 . A A . 5 LYS HZ2 1 1
8 2869 1 1 5 LYS HZ3 H 1.468 -10.932 -3.439 1.00 . A A . 5 LYS HZ3 1 1
8 2870 1 1 5 LYS N N 3.813 -5.259 -2.568 1.00 . A A . 5 LYS N 1 1
8 2871 1 1 5 LYS NZ N 2.145 -11.647 -3.772 1.00 . A A . 5 LYS NZ 1 1
8 2872 1 1 5 LYS O O 1.219 -7.272 -1.404 1.00 . A A . 5 LYS O 1 1
8 2873 1 1 6 ABA C C 1.563 -6.248 1.323 1.00 . A A . 6 AIB C 1 1
8 2874 1 1 6 ABA CA C 2.737 -7.159 0.961 1.00 . A A . 6 AIB CA 1 1
8 2875 1 1 6 ABA H H 4.124 -6.557 -0.523 1.00 . A A . 6 AIB H 1 1
8 2876 1 1 6 ABA N N 3.190 -6.831 -0.393 1.00 . A A . 6 AIB N 1 1
8 2877 1 1 6 ABA O O 0.525 -6.709 1.798 1.00 . A A . 6 AIB O 1 1
8 2878 1 1 7 LEU C C -0.545 -4.233 0.525 1.00 . A A . 7 LEU C 1 1
8 2879 1 1 7 LEU CA C 0.689 -3.979 1.379 1.00 . A A . 7 LEU CA 1 1
8 2880 1 1 7 LEU CB C 1.190 -2.553 1.143 1.00 . A A . 7 LEU CB 1 1
8 2881 1 1 7 LEU CD1 C 2.826 -0.719 1.614 1.00 . A A . 7 LEU CD1 1 1
8 2882 1 1 7 LEU CD2 C 2.054 -2.192 3.470 1.00 . A A . 7 LEU CD2 1 1
8 2883 1 1 7 LEU CG C 2.391 -2.125 1.989 1.00 . A A . 7 LEU CG 1 1
8 2884 1 1 7 LEU H H 2.586 -4.640 0.692 1.00 . A A . 7 LEU H 1 1
8 2885 1 1 7 LEU HA H 0.420 -4.091 2.417 1.00 . A A . 7 LEU HA 1 1
8 2886 1 1 7 LEU HB2 H 1.457 -2.460 0.103 1.00 . A A . 7 LEU HB2 1 1
8 2887 1 1 7 LEU HB3 H 0.377 -1.874 1.347 1.00 . A A . 7 LEU HB3 1 1
8 2888 1 1 7 LEU HD11 H 3.689 -0.440 2.201 1.00 . A A . 7 LEU HD11 1 1
8 2889 1 1 7 LEU HD12 H 2.019 -0.031 1.812 1.00 . A A . 7 LEU HD12 1 1
8 2890 1 1 7 LEU HD13 H 3.079 -0.686 0.565 1.00 . A A . 7 LEU HD13 1 1
8 2891 1 1 7 LEU HD21 H 1.207 -1.555 3.671 1.00 . A A . 7 LEU HD21 1 1
8 2892 1 1 7 LEU HD22 H 2.903 -1.856 4.047 1.00 . A A . 7 LEU HD22 1 1
8 2893 1 1 7 LEU HD23 H 1.813 -3.209 3.742 1.00 . A A . 7 LEU HD23 1 1
8 2894 1 1 7 LEU HG H 3.218 -2.795 1.798 1.00 . A A . 7 LEU HG 1 1
8 2895 1 1 7 LEU N N 1.734 -4.950 1.080 1.00 . A A . 7 LEU N 1 1
8 2896 1 1 7 LEU O O -1.672 -4.165 1.007 1.00 . A A . 7 LEU O 1 1
8 2897 1 1 8 LYS C C -2.231 -5.978 -1.242 1.00 . A A . 8 LYS C 1 1
8 2898 1 1 8 LYS CA C -1.401 -4.777 -1.682 1.00 . A A . 8 LYS CA 1 1
8 2899 1 1 8 LYS CB C -0.830 -4.997 -3.084 1.00 . A A . 8 LYS CB 1 1
8 2900 1 1 8 LYS CD C -1.215 -5.156 -5.552 1.00 . A A . 8 LYS CD 1 1
8 2901 1 1 8 LYS CE C -2.227 -5.048 -6.682 1.00 . A A . 8 LYS CE 1 1
8 2902 1 1 8 LYS CG C -1.874 -5.029 -4.188 1.00 . A A . 8 LYS CG 1 1
8 2903 1 1 8 LYS H H 0.609 -4.602 -1.056 1.00 . A A . 8 LYS H 1 1
8 2904 1 1 8 LYS HA H -2.032 -3.904 -1.689 1.00 . A A . 8 LYS HA 1 1
8 2905 1 1 8 LYS HB2 H -0.136 -4.200 -3.303 1.00 . A A . 8 LYS HB2 1 1
8 2906 1 1 8 LYS HB3 H -0.297 -5.936 -3.097 1.00 . A A . 8 LYS HB3 1 1
8 2907 1 1 8 LYS HD2 H -0.485 -4.368 -5.662 1.00 . A A . 8 LYS HD2 1 1
8 2908 1 1 8 LYS HD3 H -0.721 -6.115 -5.613 1.00 . A A . 8 LYS HD3 1 1
8 2909 1 1 8 LYS HE2 H -2.765 -4.119 -6.576 1.00 . A A . 8 LYS HE2 1 1
8 2910 1 1 8 LYS HE3 H -1.697 -5.049 -7.623 1.00 . A A . 8 LYS HE3 1 1
8 2911 1 1 8 LYS HG2 H -2.527 -5.875 -4.031 1.00 . A A . 8 LYS HG2 1 1
8 2912 1 1 8 LYS HG3 H -2.447 -4.115 -4.157 1.00 . A A . 8 LYS HG3 1 1
8 2913 1 1 8 LYS HZ1 H -3.869 -6.069 -7.468 1.00 . A A . 8 LYS HZ1 1 1
8 2914 1 1 8 LYS HZ2 H -3.740 -6.174 -5.787 1.00 . A A . 8 LYS HZ2 1 1
8 2915 1 1 8 LYS HZ3 H -2.706 -7.078 -6.771 1.00 . A A . 8 LYS HZ3 1 1
8 2916 1 1 8 LYS N N -0.318 -4.539 -0.742 1.00 . A A . 8 LYS N 1 1
8 2917 1 1 8 LYS NZ N -3.202 -6.170 -6.676 1.00 . A A . 8 LYS NZ 1 1
8 2918 1 1 8 LYS O O -3.455 -5.896 -1.171 1.00 . A A . 8 LYS O 1 1
8 2919 1 1 9 ABA C C -2.922 -8.013 0.866 1.00 . A A . 9 AIB C 1 1
8 2920 1 1 9 ABA CA C -2.179 -8.308 -0.443 1.00 . A A . 9 AIB CA 1 1
8 2921 1 1 9 ABA H H -0.562 -7.054 -1.005 1.00 . A A . 9 AIB H 1 1
8 2922 1 1 9 ABA N N -1.541 -7.075 -0.922 1.00 . A A . 9 AIB N 1 1
8 2923 1 1 9 ABA O O -4.024 -8.515 1.103 1.00 . A A . 9 AIB O 1 1
8 2924 1 1 10 ARG C C -4.162 -6.089 2.848 1.00 . A A . 10 ARG C 1 1
8 2925 1 1 10 ARG CA C -2.844 -6.838 3.006 1.00 . A A . 10 ARG CA 1 1
8 2926 1 1 10 ARG CB C -1.835 -5.972 3.767 1.00 . A A . 10 ARG CB 1 1
8 2927 1 1 10 ARG CD C -1.217 -4.735 5.863 1.00 . A A . 10 ARG CD 1 1
8 2928 1 1 10 ARG CG C -2.287 -5.556 5.156 1.00 . A A . 10 ARG CG 1 1
8 2929 1 1 10 ARG CZ C 1.183 -4.945 6.442 1.00 . A A . 10 ARG CZ 1 1
8 2930 1 1 10 ARG H H -1.419 -6.830 1.446 1.00 . A A . 10 ARG H 1 1
8 2931 1 1 10 ARG HA H -3.019 -7.745 3.559 1.00 . A A . 10 ARG HA 1 1
8 2932 1 1 10 ARG HB2 H -0.912 -6.522 3.865 1.00 . A A . 10 ARG HB2 1 1
8 2933 1 1 10 ARG HB3 H -1.647 -5.074 3.193 1.00 . A A . 10 ARG HB3 1 1
8 2934 1 1 10 ARG HD2 H -1.062 -3.818 5.312 1.00 . A A . 10 ARG HD2 1 1
8 2935 1 1 10 ARG HD3 H -1.560 -4.500 6.861 1.00 . A A . 10 ARG HD3 1 1
8 2936 1 1 10 ARG HE H 0.067 -6.384 5.617 1.00 . A A . 10 ARG HE 1 1
8 2937 1 1 10 ARG HG2 H -3.183 -4.961 5.067 1.00 . A A . 10 ARG HG2 1 1
8 2938 1 1 10 ARG HG3 H -2.496 -6.442 5.738 1.00 . A A . 10 ARG HG3 1 1
8 2939 1 1 10 ARG HH11 H 2.066 -3.336 7.301 1.00 . A A . 10 ARG HH11 1 1
8 2940 1 1 10 ARG HH12 H 0.377 -3.152 6.952 1.00 . A A . 10 ARG HH12 1 1
8 2941 1 1 10 ARG HH21 H 2.267 -6.621 6.089 1.00 . A A . 10 ARG HH21 1 1
8 2942 1 1 10 ARG HH22 H 3.145 -5.306 6.807 1.00 . A A . 10 ARG HH22 1 1
8 2943 1 1 10 ARG N N -2.293 -7.200 1.708 1.00 . A A . 10 ARG N 1 1
8 2944 1 1 10 ARG NE N 0.054 -5.457 5.954 1.00 . A A . 10 ARG NE 1 1
8 2945 1 1 10 ARG NH1 N 1.210 -3.712 6.936 1.00 . A A . 10 ARG NH1 1 1
8 2946 1 1 10 ARG NH2 N 2.286 -5.683 6.448 1.00 . A A . 10 ARG NH2 1 1
8 2947 1 1 10 ARG O O -5.152 -6.393 3.512 1.00 . A A . 10 ARG O 1 1
8 2948 1 1 11 TYR C C -6.149 -4.772 0.549 1.00 . A A . 11 TYR C 1 1
8 2949 1 1 11 TYR CA C -5.328 -4.276 1.735 1.00 . A A . 11 TYR CA 1 1
8 2950 1 1 11 TYR CB C -4.871 -2.833 1.516 1.00 . A A . 11 TYR CB 1 1
8 2951 1 1 11 TYR CD1 C -4.885 -1.891 3.856 1.00 . A A . 11 TYR CD1 1 1
8 2952 1 1 11 TYR CD2 C -2.798 -2.035 2.717 1.00 . A A . 11 TYR CD2 1 1
8 2953 1 1 11 TYR CE1 C -4.250 -1.353 4.958 1.00 . A A . 11 TYR CE1 1 1
8 2954 1 1 11 TYR CE2 C -2.157 -1.497 3.814 1.00 . A A . 11 TYR CE2 1 1
8 2955 1 1 11 TYR CG C -4.171 -2.241 2.718 1.00 . A A . 11 TYR CG 1 1
8 2956 1 1 11 TYR CZ C -2.886 -1.156 4.933 1.00 . A A . 11 TYR CZ 1 1
8 2957 1 1 11 TYR H H -3.364 -4.979 1.396 1.00 . A A . 11 TYR H 1 1
8 2958 1 1 11 TYR HA H -5.938 -4.319 2.624 1.00 . A A . 11 TYR HA 1 1
8 2959 1 1 11 TYR HB2 H -4.183 -2.803 0.684 1.00 . A A . 11 TYR HB2 1 1
8 2960 1 1 11 TYR HB3 H -5.726 -2.222 1.293 1.00 . A A . 11 TYR HB3 1 1
8 2961 1 1 11 TYR HD1 H -5.953 -2.045 3.873 1.00 . A A . 11 TYR HD1 1 1
8 2962 1 1 11 TYR HD2 H -2.227 -2.305 1.839 1.00 . A A . 11 TYR HD2 1 1
8 2963 1 1 11 TYR HE1 H -4.824 -1.087 5.833 1.00 . A A . 11 TYR HE1 1 1
8 2964 1 1 11 TYR HE2 H -1.088 -1.346 3.792 1.00 . A A . 11 TYR HE2 1 1
8 2965 1 1 11 TYR HH H -1.646 0.072 5.748 1.00 . A A . 11 TYR HH 1 1
8 2966 1 1 11 TYR N N -4.168 -5.123 1.947 1.00 . A A . 11 TYR N 1 1
8 2967 1 1 11 TYR O O -6.495 -4.003 -0.344 1.00 . A A . 11 TYR O 1 1
8 2968 1 1 11 TYR OH O -2.251 -0.622 6.031 1.00 . A A . 11 TYR OH 1 1
8 2969 1 1 12 ABA C C -8.528 -6.029 -0.808 1.00 . A A . 12 AIB C 1 1
8 2970 1 1 12 ABA CA C -7.201 -6.738 -0.506 1.00 . A A . 12 AIB CA 1 1
8 2971 1 1 12 ABA H H -6.190 -6.590 1.357 1.00 . A A . 12 AIB H 1 1
8 2972 1 1 12 ABA N N -6.468 -6.062 0.578 1.00 . A A . 12 AIB N 1 1
8 2973 1 1 12 ABA O O -8.957 -5.962 -1.963 1.00 . A A . 12 AIB O 1 1
8 2974 1 1 13 GLY C C -10.341 -3.350 0.009 1.00 . A A . 13 GLY C 1 1
8 2975 1 1 13 GLY CA C -10.452 -4.860 0.036 1.00 . A A . 13 GLY CA 1 1
8 2976 1 1 13 GLY H H -8.777 -5.569 1.117 1.00 . A A . 13 GLY H 1 1
8 2977 1 1 13 GLY HA2 H -10.879 -5.195 -0.896 1.00 . A A . 13 GLY HA2 1 1
8 2978 1 1 13 GLY HA3 H -11.109 -5.147 0.843 1.00 . A A . 13 GLY HA3 1 1
8 2979 1 1 13 GLY N N -9.171 -5.510 0.223 1.00 . A A . 13 GLY N 1 1
8 2980 1 1 13 GLY O O -11.346 -2.648 0.104 1.00 . A A . 13 GLY O 1 1
8 2981 1 1 14 CYS C C -7.885 -1.086 -1.250 1.00 . A A . 14 CYS C 1 1
8 2982 1 1 14 CYS CA C -8.885 -1.415 -0.141 1.00 . A A . 14 CYS CA 1 1
8 2983 1 1 14 CYS CB C -8.343 -0.947 1.216 1.00 . A A . 14 CYS CB 1 1
8 2984 1 1 14 CYS H H -8.356 -3.459 -0.201 1.00 . A A . 14 CYS H 1 1
8 2985 1 1 14 CYS HA H -9.821 -0.918 -0.346 1.00 . A A . 14 CYS HA 1 1
8 2986 1 1 14 CYS HB2 H -7.285 -1.129 1.248 1.00 . A A . 14 CYS HB2 1 1
8 2987 1 1 14 CYS HB3 H -8.518 0.115 1.316 1.00 . A A . 14 CYS HB3 1 1
8 2988 1 1 14 CYS N N -9.122 -2.849 -0.114 1.00 . A A . 14 CYS N 1 1
8 2989 1 1 14 CYS O O -7.467 -1.969 -1.998 1.00 . A A . 14 CYS O 1 1
8 2990 1 1 14 CYS SG S -9.091 -1.770 2.667 1.00 . A A . 14 CYS SG 1 1
8 2991 1 1 15 GLU C C -5.292 1.150 -1.639 1.00 . A A . 15 GLU C 1 1
8 2992 1 1 15 GLU CA C -6.530 0.612 -2.344 1.00 . A A . 15 GLU CA 1 1
8 2993 1 1 15 GLU CB C -7.110 1.700 -3.245 1.00 . A A . 15 GLU CB 1 1
8 2994 1 1 15 GLU CD C -8.778 2.305 -5.015 1.00 . A A . 15 GLU CD 1 1
8 2995 1 1 15 GLU CG C -8.340 1.267 -4.012 1.00 . A A . 15 GLU CG 1 1
8 2996 1 1 15 GLU H H -7.920 0.849 -0.771 1.00 . A A . 15 GLU H 1 1
8 2997 1 1 15 GLU HA H -6.253 -0.240 -2.943 1.00 . A A . 15 GLU HA 1 1
8 2998 1 1 15 GLU HB2 H -7.375 2.550 -2.636 1.00 . A A . 15 GLU HB2 1 1
8 2999 1 1 15 GLU HB3 H -6.355 2.001 -3.956 1.00 . A A . 15 GLU HB3 1 1
8 3000 1 1 15 GLU HG2 H -8.120 0.351 -4.537 1.00 . A A . 15 GLU HG2 1 1
8 3001 1 1 15 GLU HG3 H -9.145 1.099 -3.313 1.00 . A A . 15 GLU HG3 1 1
8 3002 1 1 15 GLU N N -7.517 0.180 -1.363 1.00 . A A . 15 GLU N 1 1
8 3003 1 1 15 GLU O O -5.417 1.859 -0.639 1.00 . A A . 15 GLU O 1 1
8 3004 1 1 15 GLU OE1 O -9.555 3.209 -4.642 1.00 . A A . 15 GLU OE1 1 1
8 3005 1 1 15 GLU OE2 O -8.347 2.222 -6.182 1.00 . A A . 15 GLU OE2 1 1
8 3006 1 1 16 MVA C C -1.763 1.760 -2.465 1.00 . A A . 16 MVA C 1 1
8 3007 1 1 16 MVA CA C -2.850 1.298 -1.483 1.00 . A A . 16 MVA CA 1 1
8 3008 1 1 16 MVA CB C -2.271 0.210 -0.526 1.00 . A A . 16 MVA CB 1 1
8 3009 1 1 16 MVA CG1 C -1.967 -1.098 -1.238 1.00 . A A . 16 MVA CG1 1 1
8 3010 1 1 16 MVA CG2 C -1.023 0.731 0.167 1.00 . A A . 16 MVA CG2 1 1
8 3011 1 1 16 MVA CN C -4.006 0.107 -3.433 1.00 . A A . 16 MVA CN 1 1
8 3012 1 1 16 MVA HA H -3.087 2.154 -0.863 1.00 . A A . 16 MVA HA 1 1
8 3013 1 1 16 MVA HB H -3.009 0.005 0.235 1.00 . A A . 16 MVA HB 1 1
8 3014 1 1 16 MVA HG11 H -1.505 -1.784 -0.544 1.00 . A A . 16 MVA HG11 1 1
8 3015 1 1 16 MVA HG12 H -1.295 -0.911 -2.063 1.00 . A A . 16 MVA HG12 1 1
8 3016 1 1 16 MVA HG13 H -2.887 -1.526 -1.609 1.00 . A A . 16 MVA HG13 1 1
8 3017 1 1 16 MVA HG21 H -0.265 0.946 -0.572 1.00 . A A . 16 MVA HG21 1 1
8 3018 1 1 16 MVA HG22 H -0.653 -0.017 0.853 1.00 . A A . 16 MVA HG22 1 1
8 3019 1 1 16 MVA HG23 H -1.264 1.632 0.708 1.00 . A A . 16 MVA HG23 1 1
8 3020 1 1 16 MVA HN1 H -4.294 -0.920 -3.271 1.00 . A A . 16 MVA HN1 1 1
8 3021 1 1 16 MVA HN2 H -2.991 0.142 -3.806 1.00 . A A . 16 MVA HN2 1 1
8 3022 1 1 16 MVA HN3 H -4.670 0.557 -4.154 1.00 . A A . 16 MVA HN3 1 1
8 3023 1 1 16 MVA N N -4.085 0.853 -2.155 1.00 . A A . 16 MVA N 1 1
8 3024 1 1 16 MVA O O -1.197 0.980 -3.237 1.00 . A A . 16 MVA O 1 1
8 3025 1 1 17 ARG C C 0.893 3.565 -2.502 1.00 . A A . 17 ARG C 1 1
8 3026 1 1 17 ARG CA C -0.435 3.649 -3.233 1.00 . A A . 17 ARG CA 1 1
8 3027 1 1 17 ARG CB C -0.753 5.113 -3.528 1.00 . A A . 17 ARG CB 1 1
8 3028 1 1 17 ARG CD C -2.421 6.832 -4.258 1.00 . A A . 17 ARG CD 1 1
8 3029 1 1 17 ARG CG C -2.121 5.344 -4.142 1.00 . A A . 17 ARG CG 1 1
8 3030 1 1 17 ARG CZ C -4.492 8.168 -4.333 1.00 . A A . 17 ARG CZ 1 1
8 3031 1 1 17 ARG H H -1.961 3.619 -1.774 1.00 . A A . 17 ARG H 1 1
8 3032 1 1 17 ARG HA H -0.373 3.097 -4.158 1.00 . A A . 17 ARG HA 1 1
8 3033 1 1 17 ARG HB2 H -0.699 5.668 -2.607 1.00 . A A . 17 ARG HB2 1 1
8 3034 1 1 17 ARG HB3 H -0.008 5.495 -4.210 1.00 . A A . 17 ARG HB3 1 1
8 3035 1 1 17 ARG HD2 H -2.264 7.294 -3.294 1.00 . A A . 17 ARG HD2 1 1
8 3036 1 1 17 ARG HD3 H -1.741 7.268 -4.976 1.00 . A A . 17 ARG HD3 1 1
8 3037 1 1 17 ARG HE H -4.214 6.424 -5.282 1.00 . A A . 17 ARG HE 1 1
8 3038 1 1 17 ARG HG2 H -2.142 4.900 -5.127 1.00 . A A . 17 ARG HG2 1 1
8 3039 1 1 17 ARG HG3 H -2.870 4.880 -3.518 1.00 . A A . 17 ARG HG3 1 1
8 3040 1 1 17 ARG HH11 H -4.478 9.900 -3.273 1.00 . A A . 17 ARG HH11 1 1
8 3041 1 1 17 ARG HH12 H -3.005 8.982 -3.201 1.00 . A A . 17 ARG HH12 1 1
8 3042 1 1 17 ARG HH21 H -6.141 7.633 -5.382 1.00 . A A . 17 ARG HH21 1 1
8 3043 1 1 17 ARG HH22 H -6.266 9.129 -4.517 1.00 . A A . 17 ARG HH22 1 1
8 3044 1 1 17 ARG N N -1.472 3.052 -2.410 1.00 . A A . 17 ARG N 1 1
8 3045 1 1 17 ARG NE N -3.792 7.091 -4.687 1.00 . A A . 17 ARG NE 1 1
8 3046 1 1 17 ARG NH1 N -3.952 9.090 -3.538 1.00 . A A . 17 ARG NH1 1 1
8 3047 1 1 17 ARG NH2 N -5.731 8.323 -4.778 1.00 . A A . 17 ARG NH2 1 1
8 3048 1 1 17 ARG O O 1.120 4.292 -1.534 1.00 . A A . 17 ARG O 1 1
8 3049 1 1 18 CYS C C 4.093 3.425 -2.797 1.00 . A A . 18 CYS C 1 1
8 3050 1 1 18 CYS CA C 3.030 2.453 -2.294 1.00 . A A . 18 CYS CA 1 1
8 3051 1 1 18 CYS CB C 3.478 1.012 -2.518 1.00 . A A . 18 CYS CB 1 1
8 3052 1 1 18 CYS H H 1.527 2.149 -3.747 1.00 . A A . 18 CYS H 1 1
8 3053 1 1 18 CYS HA H 2.887 2.615 -1.235 1.00 . A A . 18 CYS HA 1 1
8 3054 1 1 18 CYS HB2 H 4.507 0.911 -2.211 1.00 . A A . 18 CYS HB2 1 1
8 3055 1 1 18 CYS HB3 H 2.864 0.354 -1.921 1.00 . A A . 18 CYS HB3 1 1
8 3056 1 1 18 CYS N N 1.752 2.675 -2.949 1.00 . A A . 18 CYS N 1 1
8 3057 1 1 18 CYS O O 4.250 3.624 -4.000 1.00 . A A . 18 CYS O 1 1
8 3058 1 1 18 CYS SG S 3.358 0.464 -4.252 1.00 . A A . 18 CYS SG 1 1
8 3059 1 1 19 ASP C C 7.028 4.762 -1.188 1.00 . A A . 19 ASP C 1 1
8 3060 1 1 19 ASP CA C 5.896 4.943 -2.195 1.00 . A A . 19 ASP CA 1 1
8 3061 1 1 19 ASP CB C 5.394 6.389 -2.180 1.00 . A A . 19 ASP CB 1 1
8 3062 1 1 19 ASP CG C 6.384 7.365 -2.785 1.00 . A A . 19 ASP CG 1 1
8 3063 1 1 19 ASP H H 4.610 3.860 -0.918 1.00 . A A . 19 ASP H 1 1
8 3064 1 1 19 ASP HA H 6.255 4.697 -3.182 1.00 . A A . 19 ASP HA 1 1
8 3065 1 1 19 ASP HB2 H 4.474 6.447 -2.739 1.00 . A A . 19 ASP HB2 1 1
8 3066 1 1 19 ASP HB3 H 5.206 6.683 -1.157 1.00 . A A . 19 ASP HB3 1 1
8 3067 1 1 19 ASP N N 4.813 4.029 -1.866 1.00 . A A . 19 ASP N 1 1
8 3068 1 1 19 ASP O O 7.094 5.466 -0.176 1.00 . A A . 19 ASP O 1 1
8 3069 1 1 19 ASP OD1 O 7.023 8.126 -2.027 1.00 . A A . 19 ASP OD1 1 1
8 3070 1 1 19 ASP OD2 O 6.508 7.394 -4.028 1.00 . A A . 19 ASP OD2 1 1
8 3071 1 1 20 DPR C C 8.402 3.023 0.857 1.00 . A A . 20 DPR C 1 1
8 3072 1 1 20 DPR CA C 8.986 3.437 -0.495 1.00 . A A . 20 DPR CA 1 1
8 3073 1 1 20 DPR CB C 9.688 2.257 -1.164 1.00 . A A . 20 DPR CB 1 1
8 3074 1 1 20 DPR CD C 8.012 3.012 -2.684 1.00 . A A . 20 DPR CD 1 1
8 3075 1 1 20 DPR CG C 9.384 2.405 -2.615 1.00 . A A . 20 DPR CG 1 1
8 3076 1 1 20 DPR HA H 9.692 4.239 -0.355 1.00 . A A . 20 DPR HA 1 1
8 3077 1 1 20 DPR HB2 H 10.750 2.312 -0.972 1.00 . A A . 20 DPR HB2 1 1
8 3078 1 1 20 DPR HB3 H 9.294 1.332 -0.773 1.00 . A A . 20 DPR HB3 1 1
8 3079 1 1 20 DPR HD2 H 7.926 3.646 -3.552 1.00 . A A . 20 DPR HD2 1 1
8 3080 1 1 20 DPR HD3 H 7.256 2.241 -2.697 1.00 . A A . 20 DPR HD3 1 1
8 3081 1 1 20 DPR HG2 H 10.106 3.061 -3.079 1.00 . A A . 20 DPR HG2 1 1
8 3082 1 1 20 DPR HG3 H 9.391 1.437 -3.093 1.00 . A A . 20 DPR HG3 1 1
8 3083 1 1 20 DPR N N 7.931 3.804 -1.445 1.00 . A A . 20 DPR N 1 1
8 3084 1 1 20 DPR O O 7.575 2.111 0.931 1.00 . A A . 20 DPR O 1 1
8 3085 1 1 21 PRO C C 6.907 4.013 3.502 1.00 . A A . 21 PRO C 1 1
8 3086 1 1 21 PRO CA C 8.299 3.425 3.282 1.00 . A A . 21 PRO CA 1 1
8 3087 1 1 21 PRO CB C 9.317 4.111 4.191 1.00 . A A . 21 PRO CB 1 1
8 3088 1 1 21 PRO CD C 9.838 4.761 1.947 1.00 . A A . 21 PRO CD 1 1
8 3089 1 1 21 PRO CG C 9.840 5.240 3.375 1.00 . A A . 21 PRO CG 1 1
8 3090 1 1 21 PRO HA H 8.280 2.369 3.493 1.00 . A A . 21 PRO HA 1 1
8 3091 1 1 21 PRO HB2 H 8.826 4.461 5.086 1.00 . A A . 21 PRO HB2 1 1
8 3092 1 1 21 PRO HB3 H 10.101 3.417 4.449 1.00 . A A . 21 PRO HB3 1 1
8 3093 1 1 21 PRO HD2 H 9.562 5.563 1.281 1.00 . A A . 21 PRO HD2 1 1
8 3094 1 1 21 PRO HD3 H 10.804 4.364 1.682 1.00 . A A . 21 PRO HD3 1 1
8 3095 1 1 21 PRO HG2 H 9.194 6.098 3.484 1.00 . A A . 21 PRO HG2 1 1
8 3096 1 1 21 PRO HG3 H 10.845 5.485 3.687 1.00 . A A . 21 PRO HG3 1 1
8 3097 1 1 21 PRO N N 8.816 3.697 1.940 1.00 . A A . 21 PRO N 1 1
8 3098 1 1 21 PRO O O 6.226 3.674 4.469 1.00 . A A . 21 PRO O 1 1
8 3099 1 1 22 ARG C C 4.160 4.889 1.852 1.00 . A A . 22 ARG C 1 1
8 3100 1 1 22 ARG CA C 5.204 5.557 2.729 1.00 . A A . 22 ARG CA 1 1
8 3101 1 1 22 ARG CB C 5.337 7.029 2.330 1.00 . A A . 22 ARG CB 1 1
8 3102 1 1 22 ARG CD C 6.472 9.247 2.687 1.00 . A A . 22 ARG CD 1 1
8 3103 1 1 22 ARG CG C 6.356 7.801 3.154 1.00 . A A . 22 ARG CG 1 1
8 3104 1 1 22 ARG CZ C 4.829 10.991 2.063 1.00 . A A . 22 ARG CZ 1 1
8 3105 1 1 22 ARG H H 7.025 5.038 1.789 1.00 . A A . 22 ARG H 1 1
8 3106 1 1 22 ARG HA H 4.893 5.490 3.760 1.00 . A A . 22 ARG HA 1 1
8 3107 1 1 22 ARG HB2 H 5.633 7.080 1.293 1.00 . A A . 22 ARG HB2 1 1
8 3108 1 1 22 ARG HB3 H 4.376 7.507 2.443 1.00 . A A . 22 ARG HB3 1 1
8 3109 1 1 22 ARG HD2 H 7.250 9.735 3.257 1.00 . A A . 22 ARG HD2 1 1
8 3110 1 1 22 ARG HD3 H 6.740 9.252 1.640 1.00 . A A . 22 ARG HD3 1 1
8 3111 1 1 22 ARG HE H 4.647 9.740 3.615 1.00 . A A . 22 ARG HE 1 1
8 3112 1 1 22 ARG HG2 H 6.050 7.790 4.190 1.00 . A A . 22 ARG HG2 1 1
8 3113 1 1 22 ARG HG3 H 7.318 7.322 3.056 1.00 . A A . 22 ARG HG3 1 1
8 3114 1 1 22 ARG HH11 H 6.444 10.891 0.838 1.00 . A A . 22 ARG HH11 1 1
8 3115 1 1 22 ARG HH12 H 5.277 12.112 0.435 1.00 . A A . 22 ARG HH12 1 1
8 3116 1 1 22 ARG HH21 H 3.387 12.368 1.705 1.00 . A A . 22 ARG HH21 1 1
8 3117 1 1 22 ARG HH22 H 3.109 11.340 3.075 1.00 . A A . 22 ARG HH22 1 1
8 3118 1 1 22 ARG N N 6.481 4.876 2.592 1.00 . A A . 22 ARG N 1 1
8 3119 1 1 22 ARG NE N 5.221 9.993 2.859 1.00 . A A . 22 ARG NE 1 1
8 3120 1 1 22 ARG NH1 N 5.577 11.361 1.030 1.00 . A A . 22 ARG NH1 1 1
8 3121 1 1 22 ARG NH2 N 3.684 11.616 2.301 1.00 . A A . 22 ARG NH2 1 1
8 3122 1 1 22 ARG O O 4.499 4.226 0.874 1.00 . A A . 22 ARG O 1 1
8 3123 1 1 23 TYR C C 0.508 5.245 1.720 1.00 . A A . 23 TYR C 1 1
8 3124 1 1 23 TYR CA C 1.816 4.552 1.382 1.00 . A A . 23 TYR CA 1 1
8 3125 1 1 23 TYR CB C 1.664 3.033 1.520 1.00 . A A . 23 TYR CB 1 1
8 3126 1 1 23 TYR CD1 C -0.039 2.354 3.254 1.00 . A A . 23 TYR CD1 1 1
8 3127 1 1 23 TYR CD2 C 2.263 2.321 3.866 1.00 . A A . 23 TYR CD2 1 1
8 3128 1 1 23 TYR CE1 C -0.386 1.942 4.525 1.00 . A A . 23 TYR CE1 1 1
8 3129 1 1 23 TYR CE2 C 1.924 1.902 5.136 1.00 . A A . 23 TYR CE2 1 1
8 3130 1 1 23 TYR CG C 1.289 2.551 2.904 1.00 . A A . 23 TYR CG 1 1
8 3131 1 1 23 TYR CZ C 0.599 1.616 5.427 1.00 . A A . 23 TYR CZ 1 1
8 3132 1 1 23 TYR H H 2.688 5.496 3.056 1.00 . A A . 23 TYR H 1 1
8 3133 1 1 23 TYR HA H 2.064 4.779 0.356 1.00 . A A . 23 TYR HA 1 1
8 3134 1 1 23 TYR HB2 H 0.899 2.698 0.839 1.00 . A A . 23 TYR HB2 1 1
8 3135 1 1 23 TYR HB3 H 2.599 2.567 1.250 1.00 . A A . 23 TYR HB3 1 1
8 3136 1 1 23 TYR HD1 H -0.808 2.529 2.515 1.00 . A A . 23 TYR HD1 1 1
8 3137 1 1 23 TYR HD2 H 3.301 2.464 3.608 1.00 . A A . 23 TYR HD2 1 1
8 3138 1 1 23 TYR HE1 H -1.424 1.791 4.777 1.00 . A A . 23 TYR HE1 1 1
8 3139 1 1 23 TYR HE2 H 2.697 1.727 5.869 1.00 . A A . 23 TYR HE2 1 1
8 3140 1 1 23 TYR HH H -0.375 0.591 6.681 1.00 . A A . 23 TYR HH 1 1
8 3141 1 1 23 TYR N N 2.898 5.047 2.210 1.00 . A A . 23 TYR N 1 1
8 3142 1 1 23 TYR O O 0.306 5.719 2.838 1.00 . A A . 23 TYR O 1 1
8 3143 1 1 23 TYR OH O 0.262 1.314 6.735 1.00 . A A . 23 TYR OH 1 1
8 3144 1 1 24 GLU C C -2.709 4.726 0.844 1.00 . A A . 24 GLU C 1 1
8 3145 1 1 24 GLU CA C -1.699 5.854 0.934 1.00 . A A . 24 GLU CA 1 1
8 3146 1 1 24 GLU CB C -2.032 6.913 -0.118 1.00 . A A . 24 GLU CB 1 1
8 3147 1 1 24 GLU CD C -1.651 9.258 -0.931 1.00 . A A . 24 GLU CD 1 1
8 3148 1 1 24 GLU CG C -1.103 8.111 -0.112 1.00 . A A . 24 GLU CG 1 1
8 3149 1 1 24 GLU H H -0.109 4.986 -0.153 1.00 . A A . 24 GLU H 1 1
8 3150 1 1 24 GLU HA H -1.743 6.296 1.917 1.00 . A A . 24 GLU HA 1 1
8 3151 1 1 24 GLU HB2 H -1.987 6.457 -1.094 1.00 . A A . 24 GLU HB2 1 1
8 3152 1 1 24 GLU HB3 H -3.037 7.265 0.054 1.00 . A A . 24 GLU HB3 1 1
8 3153 1 1 24 GLU HG2 H -0.971 8.445 0.907 1.00 . A A . 24 GLU HG2 1 1
8 3154 1 1 24 GLU HG3 H -0.149 7.816 -0.522 1.00 . A A . 24 GLU HG3 1 1
8 3155 1 1 24 GLU N N -0.366 5.317 0.735 1.00 . A A . 24 GLU N 1 1
8 3156 1 1 24 GLU O O -2.635 3.911 -0.069 1.00 . A A . 24 GLU O 1 1
8 3157 1 1 24 GLU OE1 O -2.276 10.163 -0.341 1.00 . A A . 24 GLU OE1 1 1
8 3158 1 1 24 GLU OE2 O -1.472 9.256 -2.168 1.00 . A A . 24 GLU OE2 1 1
8 3159 1 1 25 MVA C C -6.090 4.045 1.891 1.00 . A A . 25 MVA C 1 1
8 3160 1 1 25 MVA CA C -4.652 3.560 1.706 1.00 . A A . 25 MVA CA 1 1
8 3161 1 1 25 MVA CB C -4.342 2.400 2.703 1.00 . A A . 25 MVA CB 1 1
8 3162 1 1 25 MVA CG1 C -4.290 2.861 4.152 1.00 . A A . 25 MVA CG1 1 1
8 3163 1 1 25 MVA CG2 C -5.363 1.283 2.541 1.00 . A A . 25 MVA CG2 1 1
8 3164 1 1 25 MVA CN C -3.759 5.701 2.809 1.00 . A A . 25 MVA CN 1 1
8 3165 1 1 25 MVA HA H -4.608 3.124 0.716 1.00 . A A . 25 MVA HA 1 1
8 3166 1 1 25 MVA HB H -3.372 1.996 2.452 1.00 . A A . 25 MVA HB 1 1
8 3167 1 1 25 MVA HG11 H -5.220 3.344 4.408 1.00 . A A . 25 MVA HG11 1 1
8 3168 1 1 25 MVA HG12 H -3.474 3.555 4.279 1.00 . A A . 25 MVA HG12 1 1
8 3169 1 1 25 MVA HG13 H -4.140 2.005 4.795 1.00 . A A . 25 MVA HG13 1 1
8 3170 1 1 25 MVA HG21 H -6.356 1.677 2.705 1.00 . A A . 25 MVA HG21 1 1
8 3171 1 1 25 MVA HG22 H -5.162 0.503 3.261 1.00 . A A . 25 MVA HG22 1 1
8 3172 1 1 25 MVA HG23 H -5.297 0.875 1.543 1.00 . A A . 25 MVA HG23 1 1
8 3173 1 1 25 MVA HN1 H -3.741 6.676 2.344 1.00 . A A . 25 MVA HN1 1 1
8 3174 1 1 25 MVA HN2 H -2.921 5.610 3.485 1.00 . A A . 25 MVA HN2 1 1
8 3175 1 1 25 MVA HN3 H -4.681 5.584 3.358 1.00 . A A . 25 MVA HN3 1 1
8 3176 1 1 25 MVA N N -3.670 4.654 1.765 1.00 . A A . 25 MVA N 1 1
8 3177 1 1 25 MVA O O -6.477 4.577 2.934 1.00 . A A . 25 MVA O 1 1
8 3178 1 1 26 HIS C C -9.130 2.974 0.941 1.00 . A A . 26 HIS C 1 1
8 3179 1 1 26 HIS CA C -8.283 4.225 0.861 1.00 . A A . 26 HIS CA 1 1
8 3180 1 1 26 HIS CB C -8.653 5.007 -0.399 1.00 . A A . 26 HIS CB 1 1
8 3181 1 1 26 HIS CD2 C -6.859 6.873 -0.612 1.00 . A A . 26 HIS CD2 1 1
8 3182 1 1 26 HIS CE1 C -8.186 8.604 -0.425 1.00 . A A . 26 HIS CE1 1 1
8 3183 1 1 26 HIS CG C -8.119 6.406 -0.444 1.00 . A A . 26 HIS CG 1 1
8 3184 1 1 26 HIS H H -6.509 3.407 0.051 1.00 . A A . 26 HIS H 1 1
8 3185 1 1 26 HIS HA H -8.465 4.835 1.731 1.00 . A A . 26 HIS HA 1 1
8 3186 1 1 26 HIS HB2 H -8.271 4.481 -1.257 1.00 . A A . 26 HIS HB2 1 1
8 3187 1 1 26 HIS HB3 H -9.728 5.061 -0.472 1.00 . A A . 26 HIS HB3 1 1
8 3188 1 1 26 HIS HD1 H -9.896 7.507 -0.196 1.00 . A A . 26 HIS HD1 1 1
8 3189 1 1 26 HIS HD2 H -5.966 6.277 -0.737 1.00 . A A . 26 HIS HD2 1 1
8 3190 1 1 26 HIS HE1 H -8.551 9.619 -0.372 1.00 . A A . 26 HIS HE1 1 1
8 3191 1 1 26 HIS HE2 H -6.158 8.846 -0.483 1.00 . A A . 26 HIS HE2 1 1
8 3192 1 1 26 HIS N N -6.880 3.851 0.849 1.00 . A A . 26 HIS N 1 1
8 3193 1 1 26 HIS ND1 N -8.922 7.516 -0.329 1.00 . A A . 26 HIS ND1 1 1
8 3194 1 1 26 HIS NE2 N -6.929 8.245 -0.596 1.00 . A A . 26 HIS NE2 1 1
8 3195 1 1 26 HIS O O -8.878 2.009 0.225 1.00 . A A . 26 HIS O 1 1
8 3196 1 1 27 CYS C C -12.394 2.242 2.270 1.00 . A A . 27 CYS C 1 1
8 3197 1 1 27 CYS CA C -10.963 1.813 1.969 1.00 . A A . 27 CYS CA 1 1
8 3198 1 1 27 CYS CB C -10.419 0.927 3.086 1.00 . A A . 27 CYS CB 1 1
8 3199 1 1 27 CYS H H -10.281 3.770 2.361 1.00 . A A . 27 CYS H 1 1
8 3200 1 1 27 CYS HA H -10.949 1.259 1.043 1.00 . A A . 27 CYS HA 1 1
8 3201 1 1 27 CYS HB2 H -9.343 0.990 3.090 1.00 . A A . 27 CYS HB2 1 1
8 3202 1 1 27 CYS HB3 H -10.799 1.284 4.030 1.00 . A A . 27 CYS HB3 1 1
8 3203 1 1 27 CYS N N -10.117 2.973 1.810 1.00 . A A . 27 CYS N 1 1
8 3204 1 1 27 CYS O O -12.837 2.228 3.422 1.00 . A A . 27 CYS O 1 1
8 3205 1 1 27 CYS SG S -10.873 -0.830 2.934 1.00 . A A . 27 CYS SG 1 1
8 3206 1 1 28 NH2 HN1 H -12.692 2.626 0.346 1.00 . A A . 28 NH2 HN1 1 1
8 3207 1 1 28 NH2 HN2 H -14.030 2.931 1.395 1.00 . A A . 28 NH2 HN2 1 1
8 3208 1 1 28 NH2 N N -13.111 2.639 1.236 1.00 . A A . 28 NH2 N 1 1
9 3209 1 1 1 ASN C C 9.390 -8.677 -0.684 1.00 . A A . 1 ASN C 1 1
9 3210 1 1 1 ASN CA C 9.446 -10.119 -0.193 1.00 . A A . 1 ASN CA 1 1
9 3211 1 1 1 ASN CB C 8.960 -10.209 1.260 1.00 . A A . 1 ASN CB 1 1
9 3212 1 1 1 ASN CG C 9.669 -9.230 2.176 1.00 . A A . 1 ASN CG 1 1
9 3213 1 1 1 ASN H1 H 11.156 -10.585 -1.282 1.00 . A A . 1 ASN H1 1 1
9 3214 1 1 1 ASN H2 H 10.881 -11.612 0.033 1.00 . A A . 1 ASN H2 1 1
9 3215 1 1 1 ASN H3 H 11.469 -10.046 0.289 1.00 . A A . 1 ASN H3 1 1
9 3216 1 1 1 ASN HA H 8.814 -10.729 -0.820 1.00 . A A . 1 ASN HA 1 1
9 3217 1 1 1 ASN HB2 H 7.903 -10.002 1.294 1.00 . A A . 1 ASN HB2 1 1
9 3218 1 1 1 ASN HB3 H 9.137 -11.209 1.629 1.00 . A A . 1 ASN HB3 1 1
9 3219 1 1 1 ASN HD21 H 8.119 -7.990 2.102 1.00 . A A . 1 ASN HD21 1 1
9 3220 1 1 1 ASN HD22 H 9.461 -7.460 3.057 1.00 . A A . 1 ASN HD22 1 1
9 3221 1 1 1 ASN N N 10.834 -10.626 -0.296 1.00 . A A . 1 ASN N 1 1
9 3222 1 1 1 ASN ND2 N 9.016 -8.117 2.477 1.00 . A A . 1 ASN ND2 1 1
9 3223 1 1 1 ASN O O 10.373 -7.945 -0.578 1.00 . A A . 1 ASN O 1 1
9 3224 1 1 1 ASN OD1 O 10.780 -9.488 2.634 1.00 . A A . 1 ASN OD1 1 1
9 3225 1 1 2 ASP C C 7.156 -6.086 -0.946 1.00 . A A . 2 ASP C 1 1
9 3226 1 1 2 ASP CA C 8.103 -6.932 -1.785 1.00 . A A . 2 ASP CA 1 1
9 3227 1 1 2 ASP CB C 7.595 -7.001 -3.225 1.00 . A A . 2 ASP CB 1 1
9 3228 1 1 2 ASP CG C 7.445 -5.630 -3.847 1.00 . A A . 2 ASP CG 1 1
9 3229 1 1 2 ASP H H 7.484 -8.889 -1.255 1.00 . A A . 2 ASP H 1 1
9 3230 1 1 2 ASP HA H 9.075 -6.467 -1.781 1.00 . A A . 2 ASP HA 1 1
9 3231 1 1 2 ASP HB2 H 8.293 -7.571 -3.820 1.00 . A A . 2 ASP HB2 1 1
9 3232 1 1 2 ASP HB3 H 6.634 -7.491 -3.238 1.00 . A A . 2 ASP HB3 1 1
9 3233 1 1 2 ASP N N 8.249 -8.273 -1.228 1.00 . A A . 2 ASP N 1 1
9 3234 1 1 2 ASP O O 6.074 -6.545 -0.565 1.00 . A A . 2 ASP O 1 1
9 3235 1 1 2 ASP OD1 O 6.307 -5.126 -3.918 1.00 . A A . 2 ASP OD1 1 1
9 3236 1 1 2 ASP OD2 O 8.467 -5.048 -4.264 1.00 . A A . 2 ASP OD2 1 1
9 3237 1 1 3 ABA C C 5.414 -3.685 -0.454 1.00 . A A . 3 AIB C 1 1
9 3238 1 1 3 ABA CA C 6.809 -3.903 0.149 1.00 . A A . 3 AIB CA 1 1
9 3239 1 1 3 ABA H H 8.441 -4.559 -1.036 1.00 . A A . 3 AIB H 1 1
9 3240 1 1 3 ABA N N 7.576 -4.850 -0.671 1.00 . A A . 3 AIB N 1 1
9 3241 1 1 3 ABA O O 4.398 -3.895 0.213 1.00 . A A . 3 AIB O 1 1
9 3242 1 1 4 CYS C C 3.183 -4.143 -2.462 1.00 . A A . 4 CYS C 1 1
9 3243 1 1 4 CYS CA C 4.110 -2.937 -2.368 1.00 . A A . 4 CYS CA 1 1
9 3244 1 1 4 CYS CB C 4.357 -2.353 -3.758 1.00 . A A . 4 CYS CB 1 1
9 3245 1 1 4 CYS H H 6.203 -3.239 -2.242 1.00 . A A . 4 CYS H 1 1
9 3246 1 1 4 CYS HA H 3.632 -2.187 -1.758 1.00 . A A . 4 CYS HA 1 1
9 3247 1 1 4 CYS HB2 H 4.912 -3.065 -4.344 1.00 . A A . 4 CYS HB2 1 1
9 3248 1 1 4 CYS HB3 H 3.407 -2.168 -4.234 1.00 . A A . 4 CYS HB3 1 1
9 3249 1 1 4 CYS N N 5.370 -3.286 -1.722 1.00 . A A . 4 CYS N 1 1
9 3250 1 1 4 CYS O O 1.978 -4.025 -2.232 1.00 . A A . 4 CYS O 1 1
9 3251 1 1 4 CYS SG S 5.294 -0.788 -3.758 1.00 . A A . 4 CYS SG 1 1
9 3252 1 1 5 LYS C C 2.383 -6.890 -1.512 1.00 . A A . 5 LYS C 1 1
9 3253 1 1 5 LYS CA C 2.960 -6.521 -2.875 1.00 . A A . 5 LYS CA 1 1
9 3254 1 1 5 LYS CB C 3.810 -7.669 -3.423 1.00 . A A . 5 LYS CB 1 1
9 3255 1 1 5 LYS CD C 3.897 -10.037 -4.265 1.00 . A A . 5 LYS CD 1 1
9 3256 1 1 5 LYS CE C 3.120 -11.328 -4.468 1.00 . A A . 5 LYS CE 1 1
9 3257 1 1 5 LYS CG C 3.029 -8.959 -3.637 1.00 . A A . 5 LYS CG 1 1
9 3258 1 1 5 LYS H H 4.714 -5.331 -2.974 1.00 . A A . 5 LYS H 1 1
9 3259 1 1 5 LYS HA H 2.143 -6.332 -3.554 1.00 . A A . 5 LYS HA 1 1
9 3260 1 1 5 LYS HB2 H 4.235 -7.367 -4.370 1.00 . A A . 5 LYS HB2 1 1
9 3261 1 1 5 LYS HB3 H 4.611 -7.872 -2.728 1.00 . A A . 5 LYS HB3 1 1
9 3262 1 1 5 LYS HD2 H 4.253 -9.687 -5.223 1.00 . A A . 5 LYS HD2 1 1
9 3263 1 1 5 LYS HD3 H 4.737 -10.229 -3.615 1.00 . A A . 5 LYS HD3 1 1
9 3264 1 1 5 LYS HE2 H 2.259 -11.123 -5.084 1.00 . A A . 5 LYS HE2 1 1
9 3265 1 1 5 LYS HE3 H 3.757 -12.043 -4.969 1.00 . A A . 5 LYS HE3 1 1
9 3266 1 1 5 LYS HG2 H 2.666 -9.312 -2.684 1.00 . A A . 5 LYS HG2 1 1
9 3267 1 1 5 LYS HG3 H 2.192 -8.758 -4.291 1.00 . A A . 5 LYS HG3 1 1
9 3268 1 1 5 LYS HZ1 H 2.156 -12.802 -3.351 1.00 . A A . 5 LYS HZ1 1 1
9 3269 1 1 5 LYS HZ2 H 2.024 -11.252 -2.694 1.00 . A A . 5 LYS HZ2 1 1
9 3270 1 1 5 LYS HZ3 H 3.479 -12.102 -2.562 1.00 . A A . 5 LYS HZ3 1 1
9 3271 1 1 5 LYS N N 3.746 -5.301 -2.783 1.00 . A A . 5 LYS N 1 1
9 3272 1 1 5 LYS NZ N 2.664 -11.911 -3.180 1.00 . A A . 5 LYS NZ 1 1
9 3273 1 1 5 LYS O O 1.215 -7.266 -1.409 1.00 . A A . 5 LYS O 1 1
9 3274 1 1 6 ABA C C 1.620 -6.136 1.273 1.00 . A A . 6 AIB C 1 1
9 3275 1 1 6 ABA CA C 2.794 -7.039 0.907 1.00 . A A . 6 AIB CA 1 1
9 3276 1 1 6 ABA H H 4.130 -6.449 -0.635 1.00 . A A . 6 AIB H 1 1
9 3277 1 1 6 ABA N N 3.210 -6.757 -0.472 1.00 . A A . 6 AIB N 1 1
9 3278 1 1 6 ABA O O 0.619 -6.587 1.832 1.00 . A A . 6 AIB O 1 1
9 3279 1 1 7 LEU C C -0.551 -4.177 0.500 1.00 . A A . 7 LEU C 1 1
9 3280 1 1 7 LEU CA C 0.728 -3.877 1.260 1.00 . A A . 7 LEU CA 1 1
9 3281 1 1 7 LEU CB C 1.213 -2.468 0.927 1.00 . A A . 7 LEU CB 1 1
9 3282 1 1 7 LEU CD1 C 2.923 -0.661 1.174 1.00 . A A . 7 LEU CD1 1 1
9 3283 1 1 7 LEU CD2 C 2.242 -1.998 3.165 1.00 . A A . 7 LEU CD2 1 1
9 3284 1 1 7 LEU CG C 2.478 -2.026 1.664 1.00 . A A . 7 LEU CG 1 1
9 3285 1 1 7 LEU H H 2.564 -4.566 0.466 1.00 . A A . 7 LEU H 1 1
9 3286 1 1 7 LEU HA H 0.526 -3.939 2.317 1.00 . A A . 7 LEU HA 1 1
9 3287 1 1 7 LEU HB2 H 1.399 -2.416 -0.134 1.00 . A A . 7 LEU HB2 1 1
9 3288 1 1 7 LEU HB3 H 0.422 -1.774 1.169 1.00 . A A . 7 LEU HB3 1 1
9 3289 1 1 7 LEU HD11 H 3.797 -0.348 1.725 1.00 . A A . 7 LEU HD11 1 1
9 3290 1 1 7 LEU HD12 H 2.126 0.048 1.329 1.00 . A A . 7 LEU HD12 1 1
9 3291 1 1 7 LEU HD13 H 3.159 -0.714 0.122 1.00 . A A . 7 LEU HD13 1 1
9 3292 1 1 7 LEU HD21 H 3.128 -1.630 3.662 1.00 . A A . 7 LEU HD21 1 1
9 3293 1 1 7 LEU HD22 H 2.021 -2.994 3.515 1.00 . A A . 7 LEU HD22 1 1
9 3294 1 1 7 LEU HD23 H 1.410 -1.346 3.385 1.00 . A A . 7 LEU HD23 1 1
9 3295 1 1 7 LEU HG H 3.272 -2.730 1.460 1.00 . A A . 7 LEU HG 1 1
9 3296 1 1 7 LEU N N 1.753 -4.857 0.942 1.00 . A A . 7 LEU N 1 1
9 3297 1 1 7 LEU O O -1.645 -4.084 1.048 1.00 . A A . 7 LEU O 1 1
9 3298 1 1 8 LYS C C -2.293 -6.083 -0.975 1.00 . A A . 8 LYS C 1 1
9 3299 1 1 8 LYS CA C -1.555 -4.896 -1.577 1.00 . A A . 8 LYS CA 1 1
9 3300 1 1 8 LYS CB C -1.125 -5.205 -3.010 1.00 . A A . 8 LYS CB 1 1
9 3301 1 1 8 LYS CD C -1.824 -5.770 -5.360 1.00 . A A . 8 LYS CD 1 1
9 3302 1 1 8 LYS CE C -0.999 -7.044 -5.422 1.00 . A A . 8 LYS CE 1 1
9 3303 1 1 8 LYS CG C -2.294 -5.473 -3.946 1.00 . A A . 8 LYS CG 1 1
9 3304 1 1 8 LYS H H 0.496 -4.603 -1.147 1.00 . A A . 8 LYS H 1 1
9 3305 1 1 8 LYS HA H -2.216 -4.046 -1.582 1.00 . A A . 8 LYS HA 1 1
9 3306 1 1 8 LYS HB2 H -0.568 -4.364 -3.394 1.00 . A A . 8 LYS HB2 1 1
9 3307 1 1 8 LYS HB3 H -0.489 -6.077 -3.003 1.00 . A A . 8 LYS HB3 1 1
9 3308 1 1 8 LYS HD2 H -2.688 -5.882 -5.997 1.00 . A A . 8 LYS HD2 1 1
9 3309 1 1 8 LYS HD3 H -1.223 -4.942 -5.709 1.00 . A A . 8 LYS HD3 1 1
9 3310 1 1 8 LYS HE2 H -0.154 -6.946 -4.758 1.00 . A A . 8 LYS HE2 1 1
9 3311 1 1 8 LYS HE3 H -1.614 -7.872 -5.103 1.00 . A A . 8 LYS HE3 1 1
9 3312 1 1 8 LYS HG2 H -2.850 -6.323 -3.578 1.00 . A A . 8 LYS HG2 1 1
9 3313 1 1 8 LYS HG3 H -2.934 -4.604 -3.964 1.00 . A A . 8 LYS HG3 1 1
9 3314 1 1 8 LYS HZ1 H 0.138 -6.550 -7.103 1.00 . A A . 8 LYS HZ1 1 1
9 3315 1 1 8 LYS HZ2 H -1.299 -7.371 -7.461 1.00 . A A . 8 LYS HZ2 1 1
9 3316 1 1 8 LYS HZ3 H 0.018 -8.212 -6.818 1.00 . A A . 8 LYS HZ3 1 1
9 3317 1 1 8 LYS N N -0.406 -4.556 -0.758 1.00 . A A . 8 LYS N 1 1
9 3318 1 1 8 LYS NZ N -0.501 -7.314 -6.796 1.00 . A A . 8 LYS NZ 1 1
9 3319 1 1 8 LYS O O -3.494 -6.015 -0.754 1.00 . A A . 8 LYS O 1 1
9 3320 1 1 9 ABA C C -2.789 -7.988 1.265 1.00 . A A . 9 AIB C 1 1
9 3321 1 1 9 ABA CA C -2.130 -8.358 -0.069 1.00 . A A . 9 AIB CA 1 1
9 3322 1 1 9 ABA H H -0.589 -7.127 -0.865 1.00 . A A . 9 AIB H 1 1
9 3323 1 1 9 ABA N N -1.554 -7.151 -0.676 1.00 . A A . 9 AIB N 1 1
9 3324 1 1 9 ABA O O -3.818 -8.548 1.648 1.00 . A A . 9 AIB O 1 1
9 3325 1 1 10 ARG C C -3.967 -5.784 3.095 1.00 . A A . 10 ARG C 1 1
9 3326 1 1 10 ARG CA C -2.677 -6.589 3.254 1.00 . A A . 10 ARG CA 1 1
9 3327 1 1 10 ARG CB C -1.608 -5.734 3.943 1.00 . A A . 10 ARG CB 1 1
9 3328 1 1 10 ARG CD C -0.784 -4.593 6.024 1.00 . A A . 10 ARG CD 1 1
9 3329 1 1 10 ARG CG C -1.888 -5.445 5.407 1.00 . A A . 10 ARG CG 1 1
9 3330 1 1 10 ARG CZ C 1.691 -4.524 6.018 1.00 . A A . 10 ARG CZ 1 1
9 3331 1 1 10 ARG H H -1.360 -6.633 1.601 1.00 . A A . 10 ARG H 1 1
9 3332 1 1 10 ARG HA H -2.877 -7.459 3.857 1.00 . A A . 10 ARG HA 1 1
9 3333 1 1 10 ARG HB2 H -0.661 -6.244 3.876 1.00 . A A . 10 ARG HB2 1 1
9 3334 1 1 10 ARG HB3 H -1.534 -4.791 3.422 1.00 . A A . 10 ARG HB3 1 1
9 3335 1 1 10 ARG HD2 H -0.798 -3.619 5.557 1.00 . A A . 10 ARG HD2 1 1
9 3336 1 1 10 ARG HD3 H -0.980 -4.486 7.080 1.00 . A A . 10 ARG HD3 1 1
9 3337 1 1 10 ARG HE H 0.583 -6.130 5.562 1.00 . A A . 10 ARG HE 1 1
9 3338 1 1 10 ARG HG2 H -2.826 -4.915 5.484 1.00 . A A . 10 ARG HG2 1 1
9 3339 1 1 10 ARG HG3 H -1.955 -6.379 5.944 1.00 . A A . 10 ARG HG3 1 1
9 3340 1 1 10 ARG HH11 H 2.552 -2.769 6.556 1.00 . A A . 10 ARG HH11 1 1
9 3341 1 1 10 ARG HH12 H 0.818 -2.795 6.621 1.00 . A A . 10 ARG HH12 1 1
9 3342 1 1 10 ARG HH21 H 2.868 -6.091 5.501 1.00 . A A . 10 ARG HH21 1 1
9 3343 1 1 10 ARG HH22 H 3.713 -4.638 5.939 1.00 . A A . 10 ARG HH22 1 1
9 3344 1 1 10 ARG N N -2.181 -7.038 1.963 1.00 . A A . 10 ARG N 1 1
9 3345 1 1 10 ARG NE N 0.544 -5.185 5.841 1.00 . A A . 10 ARG NE 1 1
9 3346 1 1 10 ARG NH1 N 1.685 -3.261 6.427 1.00 . A A . 10 ARG NH1 1 1
9 3347 1 1 10 ARG NH2 N 2.849 -5.132 5.800 1.00 . A A . 10 ARG NH2 1 1
9 3348 1 1 10 ARG O O -4.847 -5.823 3.956 1.00 . A A . 10 ARG O 1 1
9 3349 1 1 11 TYR C C -5.949 -4.503 0.470 1.00 . A A . 11 TYR C 1 1
9 3350 1 1 11 TYR CA C -5.206 -4.168 1.763 1.00 . A A . 11 TYR CA 1 1
9 3351 1 1 11 TYR CB C -4.713 -2.723 1.707 1.00 . A A . 11 TYR CB 1 1
9 3352 1 1 11 TYR CD1 C -4.729 -2.088 4.146 1.00 . A A . 11 TYR CD1 1 1
9 3353 1 1 11 TYR CD2 C -2.651 -2.023 2.980 1.00 . A A . 11 TYR CD2 1 1
9 3354 1 1 11 TYR CE1 C -4.100 -1.672 5.301 1.00 . A A . 11 TYR CE1 1 1
9 3355 1 1 11 TYR CE2 C -2.014 -1.606 4.132 1.00 . A A . 11 TYR CE2 1 1
9 3356 1 1 11 TYR CG C -4.017 -2.271 2.968 1.00 . A A . 11 TYR CG 1 1
9 3357 1 1 11 TYR CZ C -2.731 -1.445 5.289 1.00 . A A . 11 TYR CZ 1 1
9 3358 1 1 11 TYR H H -3.370 -5.122 1.303 1.00 . A A . 11 TYR H 1 1
9 3359 1 1 11 TYR HA H -5.885 -4.273 2.594 1.00 . A A . 11 TYR HA 1 1
9 3360 1 1 11 TYR HB2 H -4.013 -2.621 0.890 1.00 . A A . 11 TYR HB2 1 1
9 3361 1 1 11 TYR HB3 H -5.553 -2.071 1.538 1.00 . A A . 11 TYR HB3 1 1
9 3362 1 1 11 TYR HD1 H -5.794 -2.275 4.151 1.00 . A A . 11 TYR HD1 1 1
9 3363 1 1 11 TYR HD2 H -2.086 -2.159 2.071 1.00 . A A . 11 TYR HD2 1 1
9 3364 1 1 11 TYR HE1 H -4.674 -1.537 6.206 1.00 . A A . 11 TYR HE1 1 1
9 3365 1 1 11 TYR HE2 H -0.950 -1.419 4.122 1.00 . A A . 11 TYR HE2 1 1
9 3366 1 1 11 TYR HH H -1.586 -0.225 6.250 1.00 . A A . 11 TYR HH 1 1
9 3367 1 1 11 TYR N N -4.077 -5.062 1.987 1.00 . A A . 11 TYR N 1 1
9 3368 1 1 11 TYR O O -6.356 -3.607 -0.260 1.00 . A A . 11 TYR O 1 1
9 3369 1 1 11 TYR OH O -2.112 -1.015 6.442 1.00 . A A . 11 TYR OH 1 1
9 3370 1 1 12 ABA C C -8.256 -5.669 -1.069 1.00 . A A . 12 AIB C 1 1
9 3371 1 1 12 ABA CA C -6.849 -6.275 -0.988 1.00 . A A . 12 AIB CA 1 1
9 3372 1 1 12 ABA H H -5.788 -6.455 0.848 1.00 . A A . 12 AIB H 1 1
9 3373 1 1 12 ABA N N -6.142 -5.796 0.216 1.00 . A A . 12 AIB N 1 1
9 3374 1 1 12 ABA O O -8.795 -5.467 -2.161 1.00 . A A . 12 AIB O 1 1
9 3375 1 1 13 GLY C C -10.169 -3.301 0.098 1.00 . A A . 13 GLY C 1 1
9 3376 1 1 13 GLY CA C -10.178 -4.818 0.120 1.00 . A A . 13 GLY CA 1 1
9 3377 1 1 13 GLY H H -8.369 -5.569 0.923 1.00 . A A . 13 GLY H 1 1
9 3378 1 1 13 GLY HA2 H -10.728 -5.175 -0.736 1.00 . A A . 13 GLY HA2 1 1
9 3379 1 1 13 GLY HA3 H -10.676 -5.151 1.018 1.00 . A A . 13 GLY HA3 1 1
9 3380 1 1 13 GLY N N -8.844 -5.387 0.085 1.00 . A A . 13 GLY N 1 1
9 3381 1 1 13 GLY O O -11.183 -2.663 0.376 1.00 . A A . 13 GLY O 1 1
9 3382 1 1 14 CYS C C -7.895 -0.911 -1.402 1.00 . A A . 14 CYS C 1 1
9 3383 1 1 14 CYS CA C -8.868 -1.279 -0.282 1.00 . A A . 14 CYS CA 1 1
9 3384 1 1 14 CYS CB C -8.346 -0.754 1.062 1.00 . A A . 14 CYS CB 1 1
9 3385 1 1 14 CYS H H -8.240 -3.289 -0.425 1.00 . A A . 14 CYS H 1 1
9 3386 1 1 14 CYS HA H -9.832 -0.842 -0.488 1.00 . A A . 14 CYS HA 1 1
9 3387 1 1 14 CYS HB2 H -7.348 -1.127 1.217 1.00 . A A . 14 CYS HB2 1 1
9 3388 1 1 14 CYS HB3 H -8.317 0.326 1.031 1.00 . A A . 14 CYS HB3 1 1
9 3389 1 1 14 CYS N N -9.020 -2.724 -0.223 1.00 . A A . 14 CYS N 1 1
9 3390 1 1 14 CYS O O -7.356 -1.788 -2.077 1.00 . A A . 14 CYS O 1 1
9 3391 1 1 14 CYS SG S -9.350 -1.242 2.509 1.00 . A A . 14 CYS SG 1 1
9 3392 1 1 15 GLU C C -5.444 1.286 -1.849 1.00 . A A . 15 GLU C 1 1
9 3393 1 1 15 GLU CA C -6.710 0.853 -2.579 1.00 . A A . 15 GLU CA 1 1
9 3394 1 1 15 GLU CB C -7.267 2.026 -3.388 1.00 . A A . 15 GLU CB 1 1
9 3395 1 1 15 GLU CD C -7.821 0.742 -5.479 1.00 . A A . 15 GLU CD 1 1
9 3396 1 1 15 GLU CG C -8.348 1.630 -4.374 1.00 . A A . 15 GLU CG 1 1
9 3397 1 1 15 GLU H H -8.232 1.039 -1.125 1.00 . A A . 15 GLU H 1 1
9 3398 1 1 15 GLU HA H -6.476 0.040 -3.245 1.00 . A A . 15 GLU HA 1 1
9 3399 1 1 15 GLU HB2 H -7.681 2.754 -2.706 1.00 . A A . 15 GLU HB2 1 1
9 3400 1 1 15 GLU HB3 H -6.457 2.481 -3.938 1.00 . A A . 15 GLU HB3 1 1
9 3401 1 1 15 GLU HG2 H -9.124 1.098 -3.845 1.00 . A A . 15 GLU HG2 1 1
9 3402 1 1 15 GLU HG3 H -8.761 2.524 -4.815 1.00 . A A . 15 GLU HG3 1 1
9 3403 1 1 15 GLU N N -7.697 0.381 -1.619 1.00 . A A . 15 GLU N 1 1
9 3404 1 1 15 GLU O O -5.527 1.979 -0.837 1.00 . A A . 15 GLU O 1 1
9 3405 1 1 15 GLU OE1 O -8.030 -0.486 -5.417 1.00 . A A . 15 GLU OE1 1 1
9 3406 1 1 15 GLU OE2 O -7.187 1.260 -6.419 1.00 . A A . 15 GLU OE2 1 1
9 3407 1 1 16 MVA C C -1.904 1.735 -2.613 1.00 . A A . 16 MVA C 1 1
9 3408 1 1 16 MVA CA C -3.006 1.266 -1.652 1.00 . A A . 16 MVA CA 1 1
9 3409 1 1 16 MVA CB C -2.470 0.115 -0.741 1.00 . A A . 16 MVA CB 1 1
9 3410 1 1 16 MVA CG1 C -2.104 -1.138 -1.522 1.00 . A A . 16 MVA CG1 1 1
9 3411 1 1 16 MVA CG2 C -1.277 0.595 0.069 1.00 . A A . 16 MVA CG2 1 1
9 3412 1 1 16 MVA CN C -4.214 0.137 -3.614 1.00 . A A . 16 MVA CN 1 1
9 3413 1 1 16 MVA HA H -3.213 2.102 -0.995 1.00 . A A . 16 MVA HA 1 1
9 3414 1 1 16 MVA HB H -3.253 -0.151 -0.046 1.00 . A A . 16 MVA HB 1 1
9 3415 1 1 16 MVA HG11 H -2.986 -1.532 -2.004 1.00 . A A . 16 MVA HG11 1 1
9 3416 1 1 16 MVA HG12 H -1.702 -1.876 -0.843 1.00 . A A . 16 MVA HG12 1 1
9 3417 1 1 16 MVA HG13 H -1.362 -0.891 -2.267 1.00 . A A . 16 MVA HG13 1 1
9 3418 1 1 16 MVA HG21 H -0.494 0.920 -0.602 1.00 . A A . 16 MVA HG21 1 1
9 3419 1 1 16 MVA HG22 H -0.910 -0.212 0.685 1.00 . A A . 16 MVA HG22 1 1
9 3420 1 1 16 MVA HG23 H -1.577 1.421 0.696 1.00 . A A . 16 MVA HG23 1 1
9 3421 1 1 16 MVA HN1 H -3.193 0.071 -3.960 1.00 . A A . 16 MVA HN1 1 1
9 3422 1 1 16 MVA HN2 H -4.814 0.640 -4.358 1.00 . A A . 16 MVA HN2 1 1
9 3423 1 1 16 MVA HN3 H -4.601 -0.858 -3.449 1.00 . A A . 16 MVA HN3 1 1
9 3424 1 1 16 MVA N N -4.257 0.900 -2.346 1.00 . A A . 16 MVA N 1 1
9 3425 1 1 16 MVA O O -1.405 0.988 -3.457 1.00 . A A . 16 MVA O 1 1
9 3426 1 1 17 ARG C C 0.816 3.597 -2.484 1.00 . A A . 17 ARG C 1 1
9 3427 1 1 17 ARG CA C -0.482 3.594 -3.271 1.00 . A A . 17 ARG CA 1 1
9 3428 1 1 17 ARG CB C -0.844 5.031 -3.653 1.00 . A A . 17 ARG CB 1 1
9 3429 1 1 17 ARG CD C -2.512 6.636 -4.628 1.00 . A A . 17 ARG CD 1 1
9 3430 1 1 17 ARG CG C -2.183 5.171 -4.360 1.00 . A A . 17 ARG CG 1 1
9 3431 1 1 17 ARG CZ C -4.377 8.001 -5.498 1.00 . A A . 17 ARG CZ 1 1
9 3432 1 1 17 ARG H H -1.963 3.537 -1.768 1.00 . A A . 17 ARG H 1 1
9 3433 1 1 17 ARG HA H -0.358 3.002 -4.164 1.00 . A A . 17 ARG HA 1 1
9 3434 1 1 17 ARG HB2 H -0.873 5.628 -2.755 1.00 . A A . 17 ARG HB2 1 1
9 3435 1 1 17 ARG HB3 H -0.076 5.418 -4.305 1.00 . A A . 17 ARG HB3 1 1
9 3436 1 1 17 ARG HD2 H -2.472 7.176 -3.694 1.00 . A A . 17 ARG HD2 1 1
9 3437 1 1 17 ARG HD3 H -1.773 7.039 -5.305 1.00 . A A . 17 ARG HD3 1 1
9 3438 1 1 17 ARG HE H -4.364 6.001 -5.407 1.00 . A A . 17 ARG HE 1 1
9 3439 1 1 17 ARG HG2 H -2.139 4.641 -5.299 1.00 . A A . 17 ARG HG2 1 1
9 3440 1 1 17 ARG HG3 H -2.955 4.744 -3.738 1.00 . A A . 17 ARG HG3 1 1
9 3441 1 1 17 ARG HH11 H -4.104 10.010 -5.445 1.00 . A A . 17 ARG HH11 1 1
9 3442 1 1 17 ARG HH12 H -2.791 9.068 -4.816 1.00 . A A . 17 ARG HH12 1 1
9 3443 1 1 17 ARG HH21 H -6.111 7.232 -6.221 1.00 . A A . 17 ARG HH21 1 1
9 3444 1 1 17 ARG HH22 H -5.999 8.963 -6.248 1.00 . A A . 17 ARG HH22 1 1
9 3445 1 1 17 ARG N N -1.531 2.995 -2.464 1.00 . A A . 17 ARG N 1 1
9 3446 1 1 17 ARG NE N -3.841 6.813 -5.217 1.00 . A A . 17 ARG NE 1 1
9 3447 1 1 17 ARG NH1 N -3.703 9.116 -5.233 1.00 . A A . 17 ARG NH1 1 1
9 3448 1 1 17 ARG NH2 N -5.593 8.071 -6.031 1.00 . A A . 17 ARG NH2 1 1
9 3449 1 1 17 ARG O O 0.991 4.402 -1.569 1.00 . A A . 17 ARG O 1 1
9 3450 1 1 18 CYS C C 3.962 3.643 -2.572 1.00 . A A . 18 CYS C 1 1
9 3451 1 1 18 CYS CA C 2.971 2.586 -2.096 1.00 . A A . 18 CYS CA 1 1
9 3452 1 1 18 CYS CB C 3.566 1.181 -2.233 1.00 . A A . 18 CYS CB 1 1
9 3453 1 1 18 CYS H H 1.531 2.080 -3.561 1.00 . A A . 18 CYS H 1 1
9 3454 1 1 18 CYS HA H 2.757 2.769 -1.054 1.00 . A A . 18 CYS HA 1 1
9 3455 1 1 18 CYS HB2 H 4.513 1.149 -1.714 1.00 . A A . 18 CYS HB2 1 1
9 3456 1 1 18 CYS HB3 H 2.892 0.469 -1.777 1.00 . A A . 18 CYS HB3 1 1
9 3457 1 1 18 CYS N N 1.714 2.689 -2.818 1.00 . A A . 18 CYS N 1 1
9 3458 1 1 18 CYS O O 4.216 3.788 -3.770 1.00 . A A . 18 CYS O 1 1
9 3459 1 1 18 CYS SG S 3.863 0.640 -3.948 1.00 . A A . 18 CYS SG 1 1
9 3460 1 1 19 ASP C C 6.721 5.164 -1.055 1.00 . A A . 19 ASP C 1 1
9 3461 1 1 19 ASP CA C 5.472 5.429 -1.887 1.00 . A A . 19 ASP CA 1 1
9 3462 1 1 19 ASP CB C 4.888 6.806 -1.554 1.00 . A A . 19 ASP CB 1 1
9 3463 1 1 19 ASP CG C 5.818 7.946 -1.923 1.00 . A A . 19 ASP CG 1 1
9 3464 1 1 19 ASP H H 4.248 4.210 -0.685 1.00 . A A . 19 ASP H 1 1
9 3465 1 1 19 ASP HA H 5.726 5.390 -2.934 1.00 . A A . 19 ASP HA 1 1
9 3466 1 1 19 ASP HB2 H 3.961 6.936 -2.093 1.00 . A A . 19 ASP HB2 1 1
9 3467 1 1 19 ASP HB3 H 4.692 6.855 -0.495 1.00 . A A . 19 ASP HB3 1 1
9 3468 1 1 19 ASP N N 4.499 4.385 -1.617 1.00 . A A . 19 ASP N 1 1
9 3469 1 1 19 ASP O O 6.783 5.518 0.129 1.00 . A A . 19 ASP O 1 1
9 3470 1 1 19 ASP OD1 O 6.442 8.538 -1.014 1.00 . A A . 19 ASP OD1 1 1
9 3471 1 1 19 ASP OD2 O 5.928 8.264 -3.125 1.00 . A A . 19 ASP OD2 1 1
9 3472 1 1 20 DPR C C 8.481 3.034 0.149 1.00 . A A . 20 DPR C 1 1
9 3473 1 1 20 DPR CA C 8.897 4.049 -0.912 1.00 . A A . 20 DPR CA 1 1
9 3474 1 1 20 DPR CB C 9.780 3.395 -1.975 1.00 . A A . 20 DPR CB 1 1
9 3475 1 1 20 DPR CD C 7.812 4.185 -3.080 1.00 . A A . 20 DPR CD 1 1
9 3476 1 1 20 DPR CG C 9.275 3.911 -3.279 1.00 . A A . 20 DPR CG 1 1
9 3477 1 1 20 DPR HA H 9.429 4.864 -0.452 1.00 . A A . 20 DPR HA 1 1
9 3478 1 1 20 DPR HB2 H 10.809 3.677 -1.809 1.00 . A A . 20 DPR HB2 1 1
9 3479 1 1 20 DPR HB3 H 9.683 2.324 -1.912 1.00 . A A . 20 DPR HB3 1 1
9 3480 1 1 20 DPR HD2 H 7.500 5.019 -3.688 1.00 . A A . 20 DPR HD2 1 1
9 3481 1 1 20 DPR HD3 H 7.227 3.307 -3.308 1.00 . A A . 20 DPR HD3 1 1
9 3482 1 1 20 DPR HG2 H 9.793 4.823 -3.541 1.00 . A A . 20 DPR HG2 1 1
9 3483 1 1 20 DPR HG3 H 9.416 3.166 -4.049 1.00 . A A . 20 DPR HG3 1 1
9 3484 1 1 20 DPR N N 7.727 4.514 -1.650 1.00 . A A . 20 DPR N 1 1
9 3485 1 1 20 DPR O O 7.768 2.073 -0.150 1.00 . A A . 20 DPR O 1 1
9 3486 1 1 21 PRO C C 7.131 2.789 3.074 1.00 . A A . 21 PRO C 1 1
9 3487 1 1 21 PRO CA C 8.496 2.388 2.517 1.00 . A A . 21 PRO CA 1 1
9 3488 1 1 21 PRO CB C 9.588 2.640 3.549 1.00 . A A . 21 PRO CB 1 1
9 3489 1 1 21 PRO CD C 9.854 4.286 1.826 1.00 . A A . 21 PRO CD 1 1
9 3490 1 1 21 PRO CG C 10.002 4.050 3.309 1.00 . A A . 21 PRO CG 1 1
9 3491 1 1 21 PRO HA H 8.485 1.344 2.244 1.00 . A A . 21 PRO HA 1 1
9 3492 1 1 21 PRO HB2 H 9.187 2.505 4.542 1.00 . A A . 21 PRO HB2 1 1
9 3493 1 1 21 PRO HB3 H 10.407 1.956 3.387 1.00 . A A . 21 PRO HB3 1 1
9 3494 1 1 21 PRO HD2 H 9.450 5.267 1.637 1.00 . A A . 21 PRO HD2 1 1
9 3495 1 1 21 PRO HD3 H 10.806 4.168 1.329 1.00 . A A . 21 PRO HD3 1 1
9 3496 1 1 21 PRO HG2 H 9.357 4.718 3.860 1.00 . A A . 21 PRO HG2 1 1
9 3497 1 1 21 PRO HG3 H 11.029 4.187 3.609 1.00 . A A . 21 PRO HG3 1 1
9 3498 1 1 21 PRO N N 8.908 3.235 1.401 1.00 . A A . 21 PRO N 1 1
9 3499 1 1 21 PRO O O 6.585 2.126 3.956 1.00 . A A . 21 PRO O 1 1
9 3500 1 1 22 ARG C C 4.202 4.038 2.047 1.00 . A A . 22 ARG C 1 1
9 3501 1 1 22 ARG CA C 5.306 4.392 3.025 1.00 . A A . 22 ARG CA 1 1
9 3502 1 1 22 ARG CB C 5.387 5.906 3.219 1.00 . A A . 22 ARG CB 1 1
9 3503 1 1 22 ARG CD C 6.407 7.822 4.491 1.00 . A A . 22 ARG CD 1 1
9 3504 1 1 22 ARG CG C 6.378 6.315 4.295 1.00 . A A . 22 ARG CG 1 1
9 3505 1 1 22 ARG CZ C 7.315 9.406 6.154 1.00 . A A . 22 ARG CZ 1 1
9 3506 1 1 22 ARG H H 7.029 4.332 1.800 1.00 . A A . 22 ARG H 1 1
9 3507 1 1 22 ARG HA H 5.093 3.925 3.974 1.00 . A A . 22 ARG HA 1 1
9 3508 1 1 22 ARG HB2 H 5.687 6.361 2.287 1.00 . A A . 22 ARG HB2 1 1
9 3509 1 1 22 ARG HB3 H 4.412 6.277 3.496 1.00 . A A . 22 ARG HB3 1 1
9 3510 1 1 22 ARG HD2 H 6.717 8.287 3.566 1.00 . A A . 22 ARG HD2 1 1
9 3511 1 1 22 ARG HD3 H 5.414 8.160 4.748 1.00 . A A . 22 ARG HD3 1 1
9 3512 1 1 22 ARG HE H 8.003 7.551 5.841 1.00 . A A . 22 ARG HE 1 1
9 3513 1 1 22 ARG HG2 H 6.094 5.848 5.226 1.00 . A A . 22 ARG HG2 1 1
9 3514 1 1 22 ARG HG3 H 7.363 5.978 4.007 1.00 . A A . 22 ARG HG3 1 1
9 3515 1 1 22 ARG HH11 H 5.783 10.141 5.049 1.00 . A A . 22 ARG HH11 1 1
9 3516 1 1 22 ARG HH12 H 6.424 11.225 6.238 1.00 . A A . 22 ARG HH12 1 1
9 3517 1 1 22 ARG HH21 H 8.171 10.568 7.576 1.00 . A A . 22 ARG HH21 1 1
9 3518 1 1 22 ARG HH22 H 8.853 8.983 7.406 1.00 . A A . 22 ARG HH22 1 1
9 3519 1 1 22 ARG N N 6.579 3.878 2.550 1.00 . A A . 22 ARG N 1 1
9 3520 1 1 22 ARG NE N 7.332 8.217 5.554 1.00 . A A . 22 ARG NE 1 1
9 3521 1 1 22 ARG NH1 N 6.438 10.330 5.783 1.00 . A A . 22 ARG NH1 1 1
9 3522 1 1 22 ARG NH2 N 8.182 9.672 7.122 1.00 . A A . 22 ARG NH2 1 1
9 3523 1 1 22 ARG O O 4.471 3.486 0.983 1.00 . A A . 22 ARG O 1 1
9 3524 1 1 23 TYR C C 0.607 4.826 1.897 1.00 . A A . 23 TYR C 1 1
9 3525 1 1 23 TYR CA C 1.840 4.018 1.540 1.00 . A A . 23 TYR CA 1 1
9 3526 1 1 23 TYR CB C 1.511 2.529 1.613 1.00 . A A . 23 TYR CB 1 1
9 3527 1 1 23 TYR CD1 C -0.212 1.948 3.363 1.00 . A A . 23 TYR CD1 1 1
9 3528 1 1 23 TYR CD2 C 2.089 1.696 3.924 1.00 . A A . 23 TYR CD2 1 1
9 3529 1 1 23 TYR CE1 C -0.571 1.515 4.622 1.00 . A A . 23 TYR CE1 1 1
9 3530 1 1 23 TYR CE2 C 1.738 1.260 5.184 1.00 . A A . 23 TYR CE2 1 1
9 3531 1 1 23 TYR CG C 1.123 2.047 2.993 1.00 . A A . 23 TYR CG 1 1
9 3532 1 1 23 TYR CZ C 0.409 1.155 5.525 1.00 . A A . 23 TYR CZ 1 1
9 3533 1 1 23 TYR H H 2.796 4.749 3.277 1.00 . A A . 23 TYR H 1 1
9 3534 1 1 23 TYR HA H 2.126 4.258 0.529 1.00 . A A . 23 TYR HA 1 1
9 3535 1 1 23 TYR HB2 H 0.689 2.316 0.947 1.00 . A A . 23 TYR HB2 1 1
9 3536 1 1 23 TYR HB3 H 2.376 1.967 1.297 1.00 . A A . 23 TYR HB3 1 1
9 3537 1 1 23 TYR HD1 H -0.976 2.216 2.647 1.00 . A A . 23 TYR HD1 1 1
9 3538 1 1 23 TYR HD2 H 3.131 1.766 3.649 1.00 . A A . 23 TYR HD2 1 1
9 3539 1 1 23 TYR HE1 H -1.615 1.444 4.891 1.00 . A A . 23 TYR HE1 1 1
9 3540 1 1 23 TYR HE2 H 2.505 0.993 5.894 1.00 . A A . 23 TYR HE2 1 1
9 3541 1 1 23 TYR HH H 0.597 1.206 7.451 1.00 . A A . 23 TYR HH 1 1
9 3542 1 1 23 TYR N N 2.962 4.329 2.408 1.00 . A A . 23 TYR N 1 1
9 3543 1 1 23 TYR O O 0.455 5.296 3.025 1.00 . A A . 23 TYR O 1 1
9 3544 1 1 23 TYR OH O 0.059 0.741 6.791 1.00 . A A . 23 TYR OH 1 1
9 3545 1 1 24 GLU C C -2.600 4.444 0.955 1.00 . A A . 24 GLU C 1 1
9 3546 1 1 24 GLU CA C -1.571 5.551 1.101 1.00 . A A . 24 GLU CA 1 1
9 3547 1 1 24 GLU CB C -1.841 6.642 0.067 1.00 . A A . 24 GLU CB 1 1
9 3548 1 1 24 GLU CD C -2.031 8.670 1.538 1.00 . A A . 24 GLU CD 1 1
9 3549 1 1 24 GLU CG C -1.257 7.992 0.430 1.00 . A A . 24 GLU CG 1 1
9 3550 1 1 24 GLU H H 0.018 4.714 0.006 1.00 . A A . 24 GLU H 1 1
9 3551 1 1 24 GLU HA H -1.625 5.969 2.094 1.00 . A A . 24 GLU HA 1 1
9 3552 1 1 24 GLU HB2 H -1.421 6.336 -0.879 1.00 . A A . 24 GLU HB2 1 1
9 3553 1 1 24 GLU HB3 H -2.907 6.755 -0.045 1.00 . A A . 24 GLU HB3 1 1
9 3554 1 1 24 GLU HG2 H -0.238 7.853 0.758 1.00 . A A . 24 GLU HG2 1 1
9 3555 1 1 24 GLU HG3 H -1.272 8.628 -0.442 1.00 . A A . 24 GLU HG3 1 1
9 3556 1 1 24 GLU N N -0.249 4.990 0.910 1.00 . A A . 24 GLU N 1 1
9 3557 1 1 24 GLU O O -2.519 3.658 0.020 1.00 . A A . 24 GLU O 1 1
9 3558 1 1 24 GLU OE1 O -1.482 8.808 2.655 1.00 . A A . 24 GLU OE1 1 1
9 3559 1 1 24 GLU OE2 O -3.193 9.053 1.308 1.00 . A A . 24 GLU OE2 1 1
9 3560 1 1 25 MVA C C -6.006 3.783 1.977 1.00 . A A . 25 MVA C 1 1
9 3561 1 1 25 MVA CA C -4.584 3.278 1.742 1.00 . A A . 25 MVA CA 1 1
9 3562 1 1 25 MVA CB C -4.287 2.055 2.661 1.00 . A A . 25 MVA CB 1 1
9 3563 1 1 25 MVA CG1 C -4.169 2.433 4.128 1.00 . A A . 25 MVA CG1 1 1
9 3564 1 1 25 MVA CG2 C -5.358 0.990 2.475 1.00 . A A . 25 MVA CG2 1 1
9 3565 1 1 25 MVA CN C -3.666 5.359 2.940 1.00 . A A . 25 MVA CN 1 1
9 3566 1 1 25 MVA HA H -4.561 2.906 0.726 1.00 . A A . 25 MVA HA 1 1
9 3567 1 1 25 MVA HB H -3.343 1.629 2.354 1.00 . A A . 25 MVA HB 1 1
9 3568 1 1 25 MVA HG11 H -5.071 2.933 4.445 1.00 . A A . 25 MVA HG11 1 1
9 3569 1 1 25 MVA HG12 H -3.324 3.092 4.262 1.00 . A A . 25 MVA HG12 1 1
9 3570 1 1 25 MVA HG13 H -4.026 1.539 4.718 1.00 . A A . 25 MVA HG13 1 1
9 3571 1 1 25 MVA HG21 H -5.365 0.664 1.445 1.00 . A A . 25 MVA HG21 1 1
9 3572 1 1 25 MVA HG22 H -6.324 1.404 2.728 1.00 . A A . 25 MVA HG22 1 1
9 3573 1 1 25 MVA HG23 H -5.145 0.150 3.118 1.00 . A A . 25 MVA HG23 1 1
9 3574 1 1 25 MVA HN1 H -2.848 5.219 3.629 1.00 . A A . 25 MVA HN1 1 1
9 3575 1 1 25 MVA HN2 H -4.603 5.241 3.465 1.00 . A A . 25 MVA HN2 1 1
9 3576 1 1 25 MVA HN3 H -3.613 6.351 2.515 1.00 . A A . 25 MVA HN3 1 1
9 3577 1 1 25 MVA N N -3.580 4.351 1.858 1.00 . A A . 25 MVA N 1 1
9 3578 1 1 25 MVA O O -6.400 4.149 3.089 1.00 . A A . 25 MVA O 1 1
9 3579 1 1 26 HIS C C -9.099 3.204 0.509 1.00 . A A . 26 HIS C 1 1
9 3580 1 1 26 HIS CA C -8.132 4.301 0.926 1.00 . A A . 26 HIS CA 1 1
9 3581 1 1 26 HIS CB C -8.271 5.510 -0.004 1.00 . A A . 26 HIS CB 1 1
9 3582 1 1 26 HIS CD2 C -6.112 6.876 0.468 1.00 . A A . 26 HIS CD2 1 1
9 3583 1 1 26 HIS CE1 C -7.045 8.740 1.135 1.00 . A A . 26 HIS CE1 1 1
9 3584 1 1 26 HIS CG C -7.454 6.698 0.416 1.00 . A A . 26 HIS CG 1 1
9 3585 1 1 26 HIS H H -6.420 3.419 0.062 1.00 . A A . 26 HIS H 1 1
9 3586 1 1 26 HIS HA H -8.357 4.603 1.936 1.00 . A A . 26 HIS HA 1 1
9 3587 1 1 26 HIS HB2 H -7.955 5.225 -0.995 1.00 . A A . 26 HIS HB2 1 1
9 3588 1 1 26 HIS HB3 H -9.305 5.810 -0.037 1.00 . A A . 26 HIS HB3 1 1
9 3589 1 1 26 HIS HD1 H -8.971 8.077 0.913 1.00 . A A . 26 HIS HD1 1 1
9 3590 1 1 26 HIS HD2 H -5.361 6.143 0.211 1.00 . A A . 26 HIS HD2 1 1
9 3591 1 1 26 HIS HE1 H -7.182 9.747 1.494 1.00 . A A . 26 HIS HE1 1 1
9 3592 1 1 26 HIS HE2 H -5.000 8.535 1.126 1.00 . A A . 26 HIS HE2 1 1
9 3593 1 1 26 HIS N N -6.774 3.792 0.903 1.00 . A A . 26 HIS N 1 1
9 3594 1 1 26 HIS ND1 N -8.010 7.886 0.841 1.00 . A A . 26 HIS ND1 1 1
9 3595 1 1 26 HIS NE2 N -5.885 8.150 0.917 1.00 . A A . 26 HIS NE2 1 1
9 3596 1 1 26 HIS O O -9.005 2.670 -0.594 1.00 . A A . 26 HIS O 1 1
9 3597 1 1 27 CYS C C -12.204 2.337 0.465 1.00 . A A . 27 CYS C 1 1
9 3598 1 1 27 CYS CA C -10.954 1.789 1.140 1.00 . A A . 27 CYS CA 1 1
9 3599 1 1 27 CYS CB C -11.313 1.086 2.447 1.00 . A A . 27 CYS CB 1 1
9 3600 1 1 27 CYS H H -10.037 3.323 2.260 1.00 . A A . 27 CYS H 1 1
9 3601 1 1 27 CYS HA H -10.484 1.078 0.480 1.00 . A A . 27 CYS HA 1 1
9 3602 1 1 27 CYS HB2 H -11.867 1.768 3.071 1.00 . A A . 27 CYS HB2 1 1
9 3603 1 1 27 CYS HB3 H -11.925 0.226 2.227 1.00 . A A . 27 CYS HB3 1 1
9 3604 1 1 27 CYS N N -10.004 2.854 1.400 1.00 . A A . 27 CYS N 1 1
9 3605 1 1 27 CYS O O -13.188 2.680 1.120 1.00 . A A . 27 CYS O 1 1
9 3606 1 1 27 CYS SG S -9.861 0.514 3.393 1.00 . A A . 27 CYS SG 1 1
9 3607 1 1 28 NH2 HN1 H -11.341 2.144 -1.313 1.00 . A A . 28 NH2 HN1 1 1
9 3608 1 1 28 NH2 HN2 H -12.943 2.793 -1.316 1.00 . A A . 28 NH2 HN2 1 1
9 3609 1 1 28 NH2 N N -12.159 2.435 -0.851 1.00 . A A . 28 NH2 N 1 1
10 3610 1 1 1 ASN C C 9.960 -7.580 -1.245 1.00 . A A . 1 ASN C 1 1
10 3611 1 1 1 ASN CA C 10.506 -8.797 -0.511 1.00 . A A . 1 ASN CA 1 1
10 3612 1 1 1 ASN CB C 11.091 -8.376 0.845 1.00 . A A . 1 ASN CB 1 1
10 3613 1 1 1 ASN CG C 10.038 -7.905 1.841 1.00 . A A . 1 ASN CG 1 1
10 3614 1 1 1 ASN H1 H 11.928 -10.285 -0.841 1.00 . A A . 1 ASN H1 1 1
10 3615 1 1 1 ASN H2 H 12.325 -8.788 -1.518 1.00 . A A . 1 ASN H2 1 1
10 3616 1 1 1 ASN H3 H 11.149 -9.753 -2.246 1.00 . A A . 1 ASN H3 1 1
10 3617 1 1 1 ASN HA H 9.703 -9.501 -0.352 1.00 . A A . 1 ASN HA 1 1
10 3618 1 1 1 ASN HB2 H 11.612 -9.215 1.280 1.00 . A A . 1 ASN HB2 1 1
10 3619 1 1 1 ASN HB3 H 11.791 -7.568 0.688 1.00 . A A . 1 ASN HB3 1 1
10 3620 1 1 1 ASN HD21 H 11.145 -8.564 3.353 1.00 . A A . 1 ASN HD21 1 1
10 3621 1 1 1 ASN HD22 H 9.641 -7.832 3.786 1.00 . A A . 1 ASN HD22 1 1
10 3622 1 1 1 ASN N N 11.548 -9.452 -1.334 1.00 . A A . 1 ASN N 1 1
10 3623 1 1 1 ASN ND2 N 10.300 -8.123 3.121 1.00 . A A . 1 ASN ND2 1 1
10 3624 1 1 1 ASN O O 10.687 -6.621 -1.502 1.00 . A A . 1 ASN O 1 1
10 3625 1 1 1 ASN OD1 O 9.002 -7.354 1.472 1.00 . A A . 1 ASN OD1 1 1
10 3626 1 1 2 ASP C C 7.079 -5.816 -1.347 1.00 . A A . 2 ASP C 1 1
10 3627 1 1 2 ASP CA C 8.037 -6.526 -2.286 1.00 . A A . 2 ASP CA 1 1
10 3628 1 1 2 ASP CB C 7.283 -7.022 -3.524 1.00 . A A . 2 ASP CB 1 1
10 3629 1 1 2 ASP CG C 8.193 -7.635 -4.568 1.00 . A A . 2 ASP CG 1 1
10 3630 1 1 2 ASP H H 8.148 -8.414 -1.346 1.00 . A A . 2 ASP H 1 1
10 3631 1 1 2 ASP HA H 8.804 -5.832 -2.595 1.00 . A A . 2 ASP HA 1 1
10 3632 1 1 2 ASP HB2 H 6.566 -7.769 -3.222 1.00 . A A . 2 ASP HB2 1 1
10 3633 1 1 2 ASP HB3 H 6.759 -6.192 -3.972 1.00 . A A . 2 ASP HB3 1 1
10 3634 1 1 2 ASP N N 8.680 -7.627 -1.588 1.00 . A A . 2 ASP N 1 1
10 3635 1 1 2 ASP O O 5.974 -6.304 -1.095 1.00 . A A . 2 ASP O 1 1
10 3636 1 1 2 ASP OD1 O 8.366 -8.871 -4.554 1.00 . A A . 2 ASP OD1 1 1
10 3637 1 1 2 ASP OD2 O 8.731 -6.888 -5.410 1.00 . A A . 2 ASP OD2 1 1
10 3638 1 1 3 ABA C C 5.338 -3.623 -0.415 1.00 . A A . 3 AIB C 1 1
10 3639 1 1 3 ABA CA C 6.741 -3.887 0.139 1.00 . A A . 3 AIB CA 1 1
10 3640 1 1 3 ABA H H 8.402 -4.344 -1.097 1.00 . A A . 3 AIB H 1 1
10 3641 1 1 3 ABA N N 7.519 -4.674 -0.825 1.00 . A A . 3 AIB N 1 1
10 3642 1 1 3 ABA O O 4.332 -3.841 0.264 1.00 . A A . 3 AIB O 1 1
10 3643 1 1 4 CYS C C 3.122 -4.044 -2.447 1.00 . A A . 4 CYS C 1 1
10 3644 1 1 4 CYS CA C 4.027 -2.827 -2.303 1.00 . A A . 4 CYS CA 1 1
10 3645 1 1 4 CYS CB C 4.284 -2.201 -3.673 1.00 . A A . 4 CYS CB 1 1
10 3646 1 1 4 CYS H H 6.122 -3.088 -2.173 1.00 . A A . 4 CYS H 1 1
10 3647 1 1 4 CYS HA H 3.533 -2.103 -1.677 1.00 . A A . 4 CYS HA 1 1
10 3648 1 1 4 CYS HB2 H 5.025 -1.424 -3.574 1.00 . A A . 4 CYS HB2 1 1
10 3649 1 1 4 CYS HB3 H 4.653 -2.960 -4.345 1.00 . A A . 4 CYS HB3 1 1
10 3650 1 1 4 CYS N N 5.286 -3.181 -1.665 1.00 . A A . 4 CYS N 1 1
10 3651 1 1 4 CYS O O 1.902 -3.940 -2.309 1.00 . A A . 4 CYS O 1 1
10 3652 1 1 4 CYS SG S 2.809 -1.461 -4.437 1.00 . A A . 4 CYS SG 1 1
10 3653 1 1 5 LYS C C 2.353 -6.835 -1.526 1.00 . A A . 5 LYS C 1 1
10 3654 1 1 5 LYS CA C 2.953 -6.427 -2.864 1.00 . A A . 5 LYS CA 1 1
10 3655 1 1 5 LYS CB C 3.832 -7.557 -3.404 1.00 . A A . 5 LYS CB 1 1
10 3656 1 1 5 LYS CD C 3.999 -10.001 -4.008 1.00 . A A . 5 LYS CD 1 1
10 3657 1 1 5 LYS CE C 4.799 -10.403 -2.778 1.00 . A A . 5 LYS CE 1 1
10 3658 1 1 5 LYS CG C 3.065 -8.838 -3.710 1.00 . A A . 5 LYS CG 1 1
10 3659 1 1 5 LYS H H 4.695 -5.226 -2.786 1.00 . A A . 5 LYS H 1 1
10 3660 1 1 5 LYS HA H 2.153 -6.232 -3.560 1.00 . A A . 5 LYS HA 1 1
10 3661 1 1 5 LYS HB2 H 4.311 -7.223 -4.312 1.00 . A A . 5 LYS HB2 1 1
10 3662 1 1 5 LYS HB3 H 4.591 -7.786 -2.671 1.00 . A A . 5 LYS HB3 1 1
10 3663 1 1 5 LYS HD2 H 3.412 -10.847 -4.335 1.00 . A A . 5 LYS HD2 1 1
10 3664 1 1 5 LYS HD3 H 4.681 -9.709 -4.792 1.00 . A A . 5 LYS HD3 1 1
10 3665 1 1 5 LYS HE2 H 5.457 -9.590 -2.509 1.00 . A A . 5 LYS HE2 1 1
10 3666 1 1 5 LYS HE3 H 4.113 -10.592 -1.965 1.00 . A A . 5 LYS HE3 1 1
10 3667 1 1 5 LYS HG2 H 2.454 -9.092 -2.856 1.00 . A A . 5 LYS HG2 1 1
10 3668 1 1 5 LYS HG3 H 2.430 -8.670 -4.569 1.00 . A A . 5 LYS HG3 1 1
10 3669 1 1 5 LYS HZ1 H 6.334 -11.436 -3.743 1.00 . A A . 5 LYS HZ1 1 1
10 3670 1 1 5 LYS HZ2 H 5.011 -12.403 -3.335 1.00 . A A . 5 LYS HZ2 1 1
10 3671 1 1 5 LYS HZ3 H 6.094 -11.909 -2.139 1.00 . A A . 5 LYS HZ3 1 1
10 3672 1 1 5 LYS N N 3.720 -5.199 -2.708 1.00 . A A . 5 LYS N 1 1
10 3673 1 1 5 LYS NZ N 5.616 -11.622 -3.016 1.00 . A A . 5 LYS NZ 1 1
10 3674 1 1 5 LYS O O 1.170 -7.158 -1.445 1.00 . A A . 5 LYS O 1 1
10 3675 1 1 6 ABA C C 1.590 -6.255 1.284 1.00 . A A . 6 AIB C 1 1
10 3676 1 1 6 ABA CA C 2.763 -7.148 0.875 1.00 . A A . 6 AIB CA 1 1
10 3677 1 1 6 ABA H H 4.115 -6.510 -0.633 1.00 . A A . 6 AIB H 1 1
10 3678 1 1 6 ABA N N 3.185 -6.794 -0.485 1.00 . A A . 6 AIB N 1 1
10 3679 1 1 6 ABA O O 0.577 -6.732 1.797 1.00 . A A . 6 AIB O 1 1
10 3680 1 1 7 LEU C C -0.567 -4.223 0.597 1.00 . A A . 7 LEU C 1 1
10 3681 1 1 7 LEU CA C 0.704 -3.991 1.398 1.00 . A A . 7 LEU CA 1 1
10 3682 1 1 7 LEU CB C 1.200 -2.564 1.167 1.00 . A A . 7 LEU CB 1 1
10 3683 1 1 7 LEU CD1 C 2.927 -0.794 1.545 1.00 . A A . 7 LEU CD1 1 1
10 3684 1 1 7 LEU CD2 C 2.080 -2.130 3.471 1.00 . A A . 7 LEU CD2 1 1
10 3685 1 1 7 LEU CG C 2.422 -2.155 1.991 1.00 . A A . 7 LEU CG 1 1
10 3686 1 1 7 LEU H H 2.556 -4.638 0.599 1.00 . A A . 7 LEU H 1 1
10 3687 1 1 7 LEU HA H 0.483 -4.121 2.445 1.00 . A A . 7 LEU HA 1 1
10 3688 1 1 7 LEU HB2 H 1.442 -2.458 0.121 1.00 . A A . 7 LEU HB2 1 1
10 3689 1 1 7 LEU HB3 H 0.394 -1.885 1.402 1.00 . A A . 7 LEU HB3 1 1
10 3690 1 1 7 LEU HD11 H 3.775 -0.509 2.150 1.00 . A A . 7 LEU HD11 1 1
10 3691 1 1 7 LEU HD12 H 2.138 -0.065 1.663 1.00 . A A . 7 LEU HD12 1 1
10 3692 1 1 7 LEU HD13 H 3.224 -0.839 0.508 1.00 . A A . 7 LEU HD13 1 1
10 3693 1 1 7 LEU HD21 H 1.807 -3.123 3.795 1.00 . A A . 7 LEU HD21 1 1
10 3694 1 1 7 LEU HD22 H 1.251 -1.459 3.634 1.00 . A A . 7 LEU HD22 1 1
10 3695 1 1 7 LEU HD23 H 2.935 -1.789 4.033 1.00 . A A . 7 LEU HD23 1 1
10 3696 1 1 7 LEU HG H 3.213 -2.876 1.837 1.00 . A A . 7 LEU HG 1 1
10 3697 1 1 7 LEU N N 1.732 -4.955 1.037 1.00 . A A . 7 LEU N 1 1
10 3698 1 1 7 LEU O O -1.667 -4.186 1.142 1.00 . A A . 7 LEU O 1 1
10 3699 1 1 8 LYS C C -2.336 -5.922 -1.104 1.00 . A A . 8 LYS C 1 1
10 3700 1 1 8 LYS CA C -1.544 -4.709 -1.572 1.00 . A A . 8 LYS CA 1 1
10 3701 1 1 8 LYS CB C -1.068 -4.912 -3.012 1.00 . A A . 8 LYS CB 1 1
10 3702 1 1 8 LYS CD C -1.653 -5.409 -5.402 1.00 . A A . 8 LYS CD 1 1
10 3703 1 1 8 LYS CE C -2.767 -5.740 -6.384 1.00 . A A . 8 LYS CE 1 1
10 3704 1 1 8 LYS CG C -2.187 -5.223 -3.992 1.00 . A A . 8 LYS CG 1 1
10 3705 1 1 8 LYS H H 0.503 -4.489 -1.070 1.00 . A A . 8 LYS H 1 1
10 3706 1 1 8 LYS HA H -2.181 -3.840 -1.530 1.00 . A A . 8 LYS HA 1 1
10 3707 1 1 8 LYS HB2 H -0.570 -4.014 -3.344 1.00 . A A . 8 LYS HB2 1 1
10 3708 1 1 8 LYS HB3 H -0.363 -5.731 -3.034 1.00 . A A . 8 LYS HB3 1 1
10 3709 1 1 8 LYS HD2 H -1.169 -4.497 -5.716 1.00 . A A . 8 LYS HD2 1 1
10 3710 1 1 8 LYS HD3 H -0.935 -6.217 -5.400 1.00 . A A . 8 LYS HD3 1 1
10 3711 1 1 8 LYS HE2 H -3.519 -4.968 -6.330 1.00 . A A . 8 LYS HE2 1 1
10 3712 1 1 8 LYS HE3 H -2.353 -5.769 -7.380 1.00 . A A . 8 LYS HE3 1 1
10 3713 1 1 8 LYS HG2 H -2.680 -6.132 -3.683 1.00 . A A . 8 LYS HG2 1 1
10 3714 1 1 8 LYS HG3 H -2.895 -4.407 -3.989 1.00 . A A . 8 LYS HG3 1 1
10 3715 1 1 8 LYS HZ1 H -4.146 -7.253 -6.782 1.00 . A A . 8 LYS HZ1 1 1
10 3716 1 1 8 LYS HZ2 H -3.825 -7.041 -5.137 1.00 . A A . 8 LYS HZ2 1 1
10 3717 1 1 8 LYS HZ3 H -2.692 -7.810 -6.128 1.00 . A A . 8 LYS HZ3 1 1
10 3718 1 1 8 LYS N N -0.407 -4.470 -0.695 1.00 . A A . 8 LYS N 1 1
10 3719 1 1 8 LYS NZ N -3.402 -7.051 -6.087 1.00 . A A . 8 LYS NZ 1 1
10 3720 1 1 8 LYS O O -3.560 -5.858 -0.972 1.00 . A A . 8 LYS O 1 1
10 3721 1 1 9 ABA C C -2.868 -8.045 0.995 1.00 . A A . 9 AIB C 1 1
10 3722 1 1 9 ABA CA C -2.211 -8.265 -0.373 1.00 . A A . 9 AIB CA 1 1
10 3723 1 1 9 ABA H H -0.641 -6.965 -0.957 1.00 . A A . 9 AIB H 1 1
10 3724 1 1 9 ABA N N -1.617 -7.008 -0.838 1.00 . A A . 9 AIB N 1 1
10 3725 1 1 9 ABA O O -3.926 -8.603 1.293 1.00 . A A . 9 AIB O 1 1
10 3726 1 1 10 ARG C C -4.011 -6.188 3.135 1.00 . A A . 10 ARG C 1 1
10 3727 1 1 10 ARG CA C -2.693 -6.953 3.171 1.00 . A A . 10 ARG CA 1 1
10 3728 1 1 10 ARG CB C -1.633 -6.151 3.928 1.00 . A A . 10 ARG CB 1 1
10 3729 1 1 10 ARG CD C -0.811 -5.190 6.088 1.00 . A A . 10 ARG CD 1 1
10 3730 1 1 10 ARG CG C -1.958 -5.904 5.390 1.00 . A A . 10 ARG CG 1 1
10 3731 1 1 10 ARG CZ C 1.654 -5.402 6.154 1.00 . A A . 10 ARG CZ 1 1
10 3732 1 1 10 ARG H H -1.383 -6.810 1.518 1.00 . A A . 10 ARG H 1 1
10 3733 1 1 10 ARG HA H -2.849 -7.893 3.671 1.00 . A A . 10 ARG HA 1 1
10 3734 1 1 10 ARG HB2 H -0.696 -6.684 3.878 1.00 . A A . 10 ARG HB2 1 1
10 3735 1 1 10 ARG HB3 H -1.512 -5.192 3.444 1.00 . A A . 10 ARG HB3 1 1
10 3736 1 1 10 ARG HD2 H -0.678 -4.220 5.632 1.00 . A A . 10 ARG HD2 1 1
10 3737 1 1 10 ARG HD3 H -1.061 -5.065 7.131 1.00 . A A . 10 ARG HD3 1 1
10 3738 1 1 10 ARG HE H 0.383 -6.899 5.772 1.00 . A A . 10 ARG HE 1 1
10 3739 1 1 10 ARG HG2 H -2.845 -5.292 5.451 1.00 . A A . 10 ARG HG2 1 1
10 3740 1 1 10 ARG HG3 H -2.135 -6.851 5.877 1.00 . A A . 10 ARG HG3 1 1
10 3741 1 1 10 ARG HH11 H 2.698 -3.714 6.576 1.00 . A A . 10 ARG HH11 1 1
10 3742 1 1 10 ARG HH12 H 0.971 -3.538 6.555 1.00 . A A . 10 ARG HH12 1 1
10 3743 1 1 10 ARG HH21 H 2.645 -7.137 5.808 1.00 . A A . 10 ARG HH21 1 1
10 3744 1 1 10 ARG HH22 H 3.648 -5.764 6.157 1.00 . A A . 10 ARG HH22 1 1
10 3745 1 1 10 ARG N N -2.218 -7.233 1.823 1.00 . A A . 10 ARG N 1 1
10 3746 1 1 10 ARG NE N 0.446 -5.938 5.983 1.00 . A A . 10 ARG NE 1 1
10 3747 1 1 10 ARG NH1 N 1.782 -4.115 6.449 1.00 . A A . 10 ARG NH1 1 1
10 3748 1 1 10 ARG NH2 N 2.734 -6.161 6.028 1.00 . A A . 10 ARG NH2 1 1
10 3749 1 1 10 ARG O O -4.971 -6.548 3.816 1.00 . A A . 10 ARG O 1 1
10 3750 1 1 11 TYR C C -6.165 -4.874 1.123 1.00 . A A . 11 TYR C 1 1
10 3751 1 1 11 TYR CA C -5.241 -4.317 2.198 1.00 . A A . 11 TYR CA 1 1
10 3752 1 1 11 TYR CB C -4.835 -2.875 1.896 1.00 . A A . 11 TYR CB 1 1
10 3753 1 1 11 TYR CD1 C -4.867 -1.609 4.074 1.00 . A A . 11 TYR CD1 1 1
10 3754 1 1 11 TYR CD2 C -2.751 -2.218 3.166 1.00 . A A . 11 TYR CD2 1 1
10 3755 1 1 11 TYR CE1 C -4.241 -1.026 5.156 1.00 . A A . 11 TYR CE1 1 1
10 3756 1 1 11 TYR CE2 C -2.116 -1.633 4.244 1.00 . A A . 11 TYR CE2 1 1
10 3757 1 1 11 TYR CG C -4.137 -2.214 3.062 1.00 . A A . 11 TYR CG 1 1
10 3758 1 1 11 TYR CZ C -2.866 -1.040 5.238 1.00 . A A . 11 TYR CZ 1 1
10 3759 1 1 11 TYR H H -3.268 -4.937 1.771 1.00 . A A . 11 TYR H 1 1
10 3760 1 1 11 TYR HA H -5.758 -4.342 3.145 1.00 . A A . 11 TYR HA 1 1
10 3761 1 1 11 TYR HB2 H -4.161 -2.863 1.052 1.00 . A A . 11 TYR HB2 1 1
10 3762 1 1 11 TYR HB3 H -5.713 -2.299 1.661 1.00 . A A . 11 TYR HB3 1 1
10 3763 1 1 11 TYR HD1 H -5.944 -1.598 4.008 1.00 . A A . 11 TYR HD1 1 1
10 3764 1 1 11 TYR HD2 H -2.167 -2.682 2.384 1.00 . A A . 11 TYR HD2 1 1
10 3765 1 1 11 TYR HE1 H -4.828 -0.561 5.930 1.00 . A A . 11 TYR HE1 1 1
10 3766 1 1 11 TYR HE2 H -1.038 -1.646 4.304 1.00 . A A . 11 TYR HE2 1 1
10 3767 1 1 11 TYR HH H -2.730 -0.694 7.128 1.00 . A A . 11 TYR HH 1 1
10 3768 1 1 11 TYR N N -4.056 -5.148 2.320 1.00 . A A . 11 TYR N 1 1
10 3769 1 1 11 TYR O O -6.471 -4.209 0.135 1.00 . A A . 11 TYR O 1 1
10 3770 1 1 11 TYR OH O -2.244 -0.465 6.325 1.00 . A A . 11 TYR OH 1 1
10 3771 1 1 12 ABA C C -8.657 -6.084 -0.046 1.00 . A A . 12 AIB C 1 1
10 3772 1 1 12 ABA CA C -7.418 -6.872 0.396 1.00 . A A . 12 AIB CA 1 1
10 3773 1 1 12 ABA H H -6.367 -6.527 2.208 1.00 . A A . 12 AIB H 1 1
10 3774 1 1 12 ABA N N -6.606 -6.106 1.354 1.00 . A A . 12 AIB N 1 1
10 3775 1 1 12 ABA O O -9.123 -6.232 -1.177 1.00 . A A . 12 AIB O 1 1
10 3776 1 1 13 GLY C C -10.199 -3.052 0.389 1.00 . A A . 13 GLY C 1 1
10 3777 1 1 13 GLY CA C -10.408 -4.544 0.535 1.00 . A A . 13 GLY CA 1 1
10 3778 1 1 13 GLY H H -8.760 -5.148 1.716 1.00 . A A . 13 GLY H 1 1
10 3779 1 1 13 GLY HA2 H -10.815 -4.928 -0.388 1.00 . A A . 13 GLY HA2 1 1
10 3780 1 1 13 GLY HA3 H -11.121 -4.718 1.326 1.00 . A A . 13 GLY HA3 1 1
10 3781 1 1 13 GLY N N -9.192 -5.264 0.842 1.00 . A A . 13 GLY N 1 1
10 3782 1 1 13 GLY O O -11.157 -2.281 0.444 1.00 . A A . 13 GLY O 1 1
10 3783 1 1 14 CYS C C -7.551 -0.994 -0.952 1.00 . A A . 14 CYS C 1 1
10 3784 1 1 14 CYS CA C -8.651 -1.217 0.078 1.00 . A A . 14 CYS CA 1 1
10 3785 1 1 14 CYS CB C -8.214 -0.645 1.431 1.00 . A A . 14 CYS CB 1 1
10 3786 1 1 14 CYS H H -8.224 -3.291 0.147 1.00 . A A . 14 CYS H 1 1
10 3787 1 1 14 CYS HA H -9.546 -0.711 -0.247 1.00 . A A . 14 CYS HA 1 1
10 3788 1 1 14 CYS HB2 H -7.259 -1.062 1.693 1.00 . A A . 14 CYS HB2 1 1
10 3789 1 1 14 CYS HB3 H -8.116 0.428 1.339 1.00 . A A . 14 CYS HB3 1 1
10 3790 1 1 14 CYS N N -8.956 -2.634 0.206 1.00 . A A . 14 CYS N 1 1
10 3791 1 1 14 CYS O O -6.724 -1.871 -1.197 1.00 . A A . 14 CYS O 1 1
10 3792 1 1 14 CYS SG S -9.361 -0.982 2.811 1.00 . A A . 14 CYS SG 1 1
10 3793 1 1 15 GLU C C -5.303 1.075 -1.712 1.00 . A A . 15 GLU C 1 1
10 3794 1 1 15 GLU CA C -6.501 0.555 -2.491 1.00 . A A . 15 GLU CA 1 1
10 3795 1 1 15 GLU CB C -6.998 1.632 -3.458 1.00 . A A . 15 GLU CB 1 1
10 3796 1 1 15 GLU CD C -8.607 2.277 -5.276 1.00 . A A . 15 GLU CD 1 1
10 3797 1 1 15 GLU CG C -8.124 1.174 -4.364 1.00 . A A . 15 GLU CG 1 1
10 3798 1 1 15 GLU H H -8.275 0.820 -1.372 1.00 . A A . 15 GLU H 1 1
10 3799 1 1 15 GLU HA H -6.210 -0.322 -3.046 1.00 . A A . 15 GLU HA 1 1
10 3800 1 1 15 GLU HB2 H -7.350 2.477 -2.885 1.00 . A A . 15 GLU HB2 1 1
10 3801 1 1 15 GLU HB3 H -6.173 1.950 -4.079 1.00 . A A . 15 GLU HB3 1 1
10 3802 1 1 15 GLU HG2 H -7.771 0.354 -4.970 1.00 . A A . 15 GLU HG2 1 1
10 3803 1 1 15 GLU HG3 H -8.949 0.841 -3.754 1.00 . A A . 15 GLU HG3 1 1
10 3804 1 1 15 GLU N N -7.552 0.182 -1.561 1.00 . A A . 15 GLU N 1 1
10 3805 1 1 15 GLU O O -5.478 1.690 -0.662 1.00 . A A . 15 GLU O 1 1
10 3806 1 1 15 GLU OE1 O -9.497 3.051 -4.865 1.00 . A A . 15 GLU OE1 1 1
10 3807 1 1 15 GLU OE2 O -8.112 2.366 -6.421 1.00 . A A . 15 GLU OE2 1 1
10 3808 1 1 16 MVA C C -1.752 1.770 -2.372 1.00 . A A . 16 MVA C 1 1
10 3809 1 1 16 MVA CA C -2.889 1.314 -1.453 1.00 . A A . 16 MVA CA 1 1
10 3810 1 1 16 MVA CB C -2.368 0.241 -0.447 1.00 . A A . 16 MVA CB 1 1
10 3811 1 1 16 MVA CG1 C -2.120 -1.105 -1.105 1.00 . A A . 16 MVA CG1 1 1
10 3812 1 1 16 MVA CG2 C -1.103 0.729 0.238 1.00 . A A . 16 MVA CG2 1 1
10 3813 1 1 16 MVA CN C -3.916 0.165 -3.499 1.00 . A A . 16 MVA CN 1 1
10 3814 1 1 16 MVA HA H -3.170 2.178 -0.861 1.00 . A A . 16 MVA HA 1 1
10 3815 1 1 16 MVA HB H -3.122 0.101 0.313 1.00 . A A . 16 MVA HB 1 1
10 3816 1 1 16 MVA HG11 H -1.716 -1.790 -0.375 1.00 . A A . 16 MVA HG11 1 1
10 3817 1 1 16 MVA HG12 H -1.417 -0.984 -1.915 1.00 . A A . 16 MVA HG12 1 1
10 3818 1 1 16 MVA HG13 H -3.051 -1.493 -1.488 1.00 . A A . 16 MVA HG13 1 1
10 3819 1 1 16 MVA HG21 H -1.295 1.680 0.712 1.00 . A A . 16 MVA HG21 1 1
10 3820 1 1 16 MVA HG22 H -0.319 0.846 -0.498 1.00 . A A . 16 MVA HG22 1 1
10 3821 1 1 16 MVA HG23 H -0.795 0.010 0.983 1.00 . A A . 16 MVA HG23 1 1
10 3822 1 1 16 MVA HN1 H -4.575 0.614 -4.226 1.00 . A A . 16 MVA HN1 1 1
10 3823 1 1 16 MVA HN2 H -4.161 -0.881 -3.387 1.00 . A A . 16 MVA HN2 1 1
10 3824 1 1 16 MVA HN3 H -2.894 0.261 -3.835 1.00 . A A . 16 MVA HN3 1 1
10 3825 1 1 16 MVA N N -4.074 0.853 -2.196 1.00 . A A . 16 MVA N 1 1
10 3826 1 1 16 MVA O O -1.103 0.973 -3.055 1.00 . A A . 16 MVA O 1 1
10 3827 1 1 17 ARG C C 0.851 3.495 -2.416 1.00 . A A . 17 ARG C 1 1
10 3828 1 1 17 ARG CA C -0.456 3.662 -3.162 1.00 . A A . 17 ARG CA 1 1
10 3829 1 1 17 ARG CB C -0.725 5.144 -3.417 1.00 . A A . 17 ARG CB 1 1
10 3830 1 1 17 ARG CD C -2.574 4.622 -5.046 1.00 . A A . 17 ARG CD 1 1
10 3831 1 1 17 ARG CG C -2.153 5.440 -3.834 1.00 . A A . 17 ARG CG 1 1
10 3832 1 1 17 ARG CZ C -4.735 3.887 -5.983 1.00 . A A . 17 ARG CZ 1 1
10 3833 1 1 17 ARG H H -2.069 3.655 -1.802 1.00 . A A . 17 ARG H 1 1
10 3834 1 1 17 ARG HA H -0.402 3.136 -4.102 1.00 . A A . 17 ARG HA 1 1
10 3835 1 1 17 ARG HB2 H -0.516 5.695 -2.514 1.00 . A A . 17 ARG HB2 1 1
10 3836 1 1 17 ARG HB3 H -0.064 5.488 -4.198 1.00 . A A . 17 ARG HB3 1 1
10 3837 1 1 17 ARG HD2 H -1.998 4.939 -5.903 1.00 . A A . 17 ARG HD2 1 1
10 3838 1 1 17 ARG HD3 H -2.374 3.579 -4.847 1.00 . A A . 17 ARG HD3 1 1
10 3839 1 1 17 ARG HE H -4.427 5.614 -5.026 1.00 . A A . 17 ARG HE 1 1
10 3840 1 1 17 ARG HG2 H -2.809 5.206 -3.010 1.00 . A A . 17 ARG HG2 1 1
10 3841 1 1 17 ARG HG3 H -2.233 6.491 -4.072 1.00 . A A . 17 ARG HG3 1 1
10 3842 1 1 17 ARG HH11 H -4.753 2.090 -6.926 1.00 . A A . 17 ARG HH11 1 1
10 3843 1 1 17 ARG HH12 H -3.207 2.595 -6.315 1.00 . A A . 17 ARG HH12 1 1
10 3844 1 1 17 ARG HH21 H -6.441 4.966 -5.829 1.00 . A A . 17 ARG HH21 1 1
10 3845 1 1 17 ARG HH22 H -6.603 3.438 -6.641 1.00 . A A . 17 ARG HH22 1 1
10 3846 1 1 17 ARG N N -1.519 3.074 -2.372 1.00 . A A . 17 ARG N 1 1
10 3847 1 1 17 ARG NE N -3.996 4.784 -5.340 1.00 . A A . 17 ARG NE 1 1
10 3848 1 1 17 ARG NH1 N -4.188 2.766 -6.441 1.00 . A A . 17 ARG NH1 1 1
10 3849 1 1 17 ARG NH2 N -6.026 4.117 -6.171 1.00 . A A . 17 ARG NH2 1 1
10 3850 1 1 17 ARG O O 1.028 4.046 -1.327 1.00 . A A . 17 ARG O 1 1
10 3851 1 1 18 CYS C C 4.127 3.296 -2.725 1.00 . A A . 18 CYS C 1 1
10 3852 1 1 18 CYS CA C 2.984 2.377 -2.317 1.00 . A A . 18 CYS CA 1 1
10 3853 1 1 18 CYS CB C 3.334 0.928 -2.632 1.00 . A A . 18 CYS CB 1 1
10 3854 1 1 18 CYS H H 1.584 2.388 -3.892 1.00 . A A . 18 CYS H 1 1
10 3855 1 1 18 CYS HA H 2.821 2.475 -1.254 1.00 . A A . 18 CYS HA 1 1
10 3856 1 1 18 CYS HB2 H 4.347 0.732 -2.316 1.00 . A A . 18 CYS HB2 1 1
10 3857 1 1 18 CYS HB3 H 2.659 0.275 -2.098 1.00 . A A . 18 CYS HB3 1 1
10 3858 1 1 18 CYS N N 1.749 2.727 -2.987 1.00 . A A . 18 CYS N 1 1
10 3859 1 1 18 CYS O O 4.314 3.599 -3.904 1.00 . A A . 18 CYS O 1 1
10 3860 1 1 18 CYS SG S 3.216 0.524 -4.404 1.00 . A A . 18 CYS SG 1 1
10 3861 1 1 19 ASP C C 7.167 4.014 -1.025 1.00 . A A . 19 ASP C 1 1
10 3862 1 1 19 ASP CA C 6.076 4.526 -1.956 1.00 . A A . 19 ASP CA 1 1
10 3863 1 1 19 ASP CB C 5.809 6.012 -1.713 1.00 . A A . 19 ASP CB 1 1
10 3864 1 1 19 ASP CG C 6.968 6.890 -2.142 1.00 . A A . 19 ASP CG 1 1
10 3865 1 1 19 ASP H H 4.613 3.535 -0.809 1.00 . A A . 19 ASP H 1 1
10 3866 1 1 19 ASP HA H 6.386 4.380 -2.980 1.00 . A A . 19 ASP HA 1 1
10 3867 1 1 19 ASP HB2 H 4.933 6.310 -2.267 1.00 . A A . 19 ASP HB2 1 1
10 3868 1 1 19 ASP HB3 H 5.634 6.171 -0.659 1.00 . A A . 19 ASP HB3 1 1
10 3869 1 1 19 ASP N N 4.874 3.744 -1.734 1.00 . A A . 19 ASP N 1 1
10 3870 1 1 19 ASP O O 7.409 4.581 0.047 1.00 . A A . 19 ASP O 1 1
10 3871 1 1 19 ASP OD1 O 7.531 7.602 -1.284 1.00 . A A . 19 ASP OD1 1 1
10 3872 1 1 19 ASP OD2 O 7.342 6.856 -3.333 1.00 . A A . 19 ASP OD2 1 1
10 3873 1 1 20 DPR C C 8.166 1.754 0.750 1.00 . A A . 20 DPR C 1 1
10 3874 1 1 20 DPR CA C 8.793 2.221 -0.561 1.00 . A A . 20 DPR CA 1 1
10 3875 1 1 20 DPR CB C 9.240 1.019 -1.396 1.00 . A A . 20 DPR CB 1 1
10 3876 1 1 20 DPR CD C 7.643 2.218 -2.701 1.00 . A A . 20 DPR CD 1 1
10 3877 1 1 20 DPR CG C 8.865 1.354 -2.797 1.00 . A A . 20 DPR CG 1 1
10 3878 1 1 20 DPR HA H 9.645 2.848 -0.354 1.00 . A A . 20 DPR HA 1 1
10 3879 1 1 20 DPR HB2 H 10.307 0.885 -1.293 1.00 . A A . 20 DPR HB2 1 1
10 3880 1 1 20 DPR HB3 H 8.727 0.133 -1.054 1.00 . A A . 20 DPR HB3 1 1
10 3881 1 1 20 DPR HD2 H 7.621 2.928 -3.512 1.00 . A A . 20 DPR HD2 1 1
10 3882 1 1 20 DPR HD3 H 6.749 1.613 -2.701 1.00 . A A . 20 DPR HD3 1 1
10 3883 1 1 20 DPR HG2 H 9.668 1.895 -3.276 1.00 . A A . 20 DPR HG2 1 1
10 3884 1 1 20 DPR HG3 H 8.643 0.450 -3.344 1.00 . A A . 20 DPR HG3 1 1
10 3885 1 1 20 DPR N N 7.812 2.900 -1.408 1.00 . A A . 20 DPR N 1 1
10 3886 1 1 20 DPR O O 7.215 0.970 0.747 1.00 . A A . 20 DPR O 1 1
10 3887 1 1 21 PRO C C 6.895 2.665 3.556 1.00 . A A . 21 PRO C 1 1
10 3888 1 1 21 PRO CA C 8.163 1.890 3.205 1.00 . A A . 21 PRO CA 1 1
10 3889 1 1 21 PRO CB C 9.302 2.290 4.137 1.00 . A A . 21 PRO CB 1 1
10 3890 1 1 21 PRO CD C 9.846 3.143 1.969 1.00 . A A . 21 PRO CD 1 1
10 3891 1 1 21 PRO CG C 9.970 3.423 3.442 1.00 . A A . 21 PRO CG 1 1
10 3892 1 1 21 PRO HA H 7.975 0.832 3.293 1.00 . A A . 21 PRO HA 1 1
10 3893 1 1 21 PRO HB2 H 8.898 2.592 5.092 1.00 . A A . 21 PRO HB2 1 1
10 3894 1 1 21 PRO HB3 H 9.974 1.458 4.269 1.00 . A A . 21 PRO HB3 1 1
10 3895 1 1 21 PRO HD2 H 9.659 4.056 1.424 1.00 . A A . 21 PRO HD2 1 1
10 3896 1 1 21 PRO HD3 H 10.737 2.659 1.600 1.00 . A A . 21 PRO HD3 1 1
10 3897 1 1 21 PRO HG2 H 9.472 4.348 3.690 1.00 . A A . 21 PRO HG2 1 1
10 3898 1 1 21 PRO HG3 H 11.009 3.468 3.727 1.00 . A A . 21 PRO HG3 1 1
10 3899 1 1 21 PRO N N 8.686 2.236 1.884 1.00 . A A . 21 PRO N 1 1
10 3900 1 1 21 PRO O O 6.249 2.391 4.569 1.00 . A A . 21 PRO O 1 1
10 3901 1 1 22 ARG C C 4.242 4.055 2.041 1.00 . A A . 22 ARG C 1 1
10 3902 1 1 22 ARG CA C 5.375 4.466 2.967 1.00 . A A . 22 ARG CA 1 1
10 3903 1 1 22 ARG CB C 5.719 5.941 2.760 1.00 . A A . 22 ARG CB 1 1
10 3904 1 1 22 ARG CD C 6.678 6.225 5.074 1.00 . A A . 22 ARG CD 1 1
10 3905 1 1 22 ARG CG C 6.909 6.410 3.580 1.00 . A A . 22 ARG CG 1 1
10 3906 1 1 22 ARG CZ C 7.911 6.549 7.191 1.00 . A A . 22 ARG CZ 1 1
10 3907 1 1 22 ARG H H 7.072 3.782 1.900 1.00 . A A . 22 ARG H 1 1
10 3908 1 1 22 ARG HA H 5.065 4.312 3.991 1.00 . A A . 22 ARG HA 1 1
10 3909 1 1 22 ARG HB2 H 5.944 6.101 1.715 1.00 . A A . 22 ARG HB2 1 1
10 3910 1 1 22 ARG HB3 H 4.863 6.541 3.029 1.00 . A A . 22 ARG HB3 1 1
10 3911 1 1 22 ARG HD2 H 5.858 6.857 5.382 1.00 . A A . 22 ARG HD2 1 1
10 3912 1 1 22 ARG HD3 H 6.426 5.192 5.262 1.00 . A A . 22 ARG HD3 1 1
10 3913 1 1 22 ARG HE H 8.671 6.845 5.363 1.00 . A A . 22 ARG HE 1 1
10 3914 1 1 22 ARG HG2 H 7.778 5.841 3.288 1.00 . A A . 22 ARG HG2 1 1
10 3915 1 1 22 ARG HG3 H 7.080 7.458 3.378 1.00 . A A . 22 ARG HG3 1 1
10 3916 1 1 22 ARG HH11 H 5.990 5.945 7.432 1.00 . A A . 22 ARG HH11 1 1
10 3917 1 1 22 ARG HH12 H 6.884 6.183 8.899 1.00 . A A . 22 ARG HH12 1 1
10 3918 1 1 22 ARG HH21 H 9.070 6.860 8.822 1.00 . A A . 22 ARG HH21 1 1
10 3919 1 1 22 ARG HH22 H 9.843 7.152 7.294 1.00 . A A . 22 ARG HH22 1 1
10 3920 1 1 22 ARG N N 6.543 3.635 2.720 1.00 . A A . 22 ARG N 1 1
10 3921 1 1 22 ARG NE N 7.864 6.575 5.859 1.00 . A A . 22 ARG NE 1 1
10 3922 1 1 22 ARG NH1 N 6.844 6.195 7.897 1.00 . A A . 22 ARG NH1 1 1
10 3923 1 1 22 ARG NH2 N 9.031 6.880 7.818 1.00 . A A . 22 ARG NH2 1 1
10 3924 1 1 22 ARG O O 4.484 3.474 0.985 1.00 . A A . 22 ARG O 1 1
10 3925 1 1 23 TYR C C 0.626 4.746 2.023 1.00 . A A . 23 TYR C 1 1
10 3926 1 1 23 TYR CA C 1.863 3.943 1.643 1.00 . A A . 23 TYR CA 1 1
10 3927 1 1 23 TYR CB C 1.595 2.451 1.822 1.00 . A A . 23 TYR CB 1 1
10 3928 1 1 23 TYR CD1 C -0.109 1.977 3.611 1.00 . A A . 23 TYR CD1 1 1
10 3929 1 1 23 TYR CD2 C 2.192 1.788 4.185 1.00 . A A . 23 TYR CD2 1 1
10 3930 1 1 23 TYR CE1 C -0.464 1.627 4.893 1.00 . A A . 23 TYR CE1 1 1
10 3931 1 1 23 TYR CE2 C 1.846 1.436 5.476 1.00 . A A . 23 TYR CE2 1 1
10 3932 1 1 23 TYR CG C 1.220 2.063 3.234 1.00 . A A . 23 TYR CG 1 1
10 3933 1 1 23 TYR CZ C 0.514 1.358 5.824 1.00 . A A . 23 TYR CZ 1 1
10 3934 1 1 23 TYR H H 2.874 4.829 3.273 1.00 . A A . 23 TYR H 1 1
10 3935 1 1 23 TYR HA H 2.094 4.132 0.606 1.00 . A A . 23 TYR HA 1 1
10 3936 1 1 23 TYR HB2 H 0.787 2.158 1.172 1.00 . A A . 23 TYR HB2 1 1
10 3937 1 1 23 TYR HB3 H 2.484 1.903 1.552 1.00 . A A . 23 TYR HB3 1 1
10 3938 1 1 23 TYR HD1 H -0.875 2.189 2.879 1.00 . A A . 23 TYR HD1 1 1
10 3939 1 1 23 TYR HD2 H 3.234 1.854 3.906 1.00 . A A . 23 TYR HD2 1 1
10 3940 1 1 23 TYR HE1 H -1.508 1.566 5.166 1.00 . A A . 23 TYR HE1 1 1
10 3941 1 1 23 TYR HE2 H 2.615 1.226 6.202 1.00 . A A . 23 TYR HE2 1 1
10 3942 1 1 23 TYR HH H -0.581 0.370 7.056 1.00 . A A . 23 TYR HH 1 1
10 3943 1 1 23 TYR N N 3.013 4.339 2.435 1.00 . A A . 23 TYR N 1 1
10 3944 1 1 23 TYR O O 0.472 5.176 3.165 1.00 . A A . 23 TYR O 1 1
10 3945 1 1 23 TYR OH O 0.151 1.004 7.102 1.00 . A A . 23 TYR OH 1 1
10 3946 1 1 24 GLU C C -2.687 4.731 0.935 1.00 . A A . 24 GLU C 1 1
10 3947 1 1 24 GLU CA C -1.509 5.638 1.285 1.00 . A A . 24 GLU CA 1 1
10 3948 1 1 24 GLU CB C -1.560 6.906 0.431 1.00 . A A . 24 GLU CB 1 1
10 3949 1 1 24 GLU CD C -0.490 8.432 2.145 1.00 . A A . 24 GLU CD 1 1
10 3950 1 1 24 GLU CG C -0.444 7.895 0.728 1.00 . A A . 24 GLU CG 1 1
10 3951 1 1 24 GLU H H -0.065 4.575 0.164 1.00 . A A . 24 GLU H 1 1
10 3952 1 1 24 GLU HA H -1.559 5.904 2.328 1.00 . A A . 24 GLU HA 1 1
10 3953 1 1 24 GLU HB2 H -1.493 6.623 -0.609 1.00 . A A . 24 GLU HB2 1 1
10 3954 1 1 24 GLU HB3 H -2.504 7.399 0.597 1.00 . A A . 24 GLU HB3 1 1
10 3955 1 1 24 GLU HG2 H 0.503 7.398 0.583 1.00 . A A . 24 GLU HG2 1 1
10 3956 1 1 24 GLU HG3 H -0.523 8.724 0.041 1.00 . A A . 24 GLU HG3 1 1
10 3957 1 1 24 GLU N N -0.257 4.930 1.059 1.00 . A A . 24 GLU N 1 1
10 3958 1 1 24 GLU O O -2.743 4.199 -0.173 1.00 . A A . 24 GLU O 1 1
10 3959 1 1 24 GLU OE1 O -1.479 9.107 2.501 1.00 . A A . 24 GLU OE1 1 1
10 3960 1 1 24 GLU OE2 O 0.463 8.178 2.915 1.00 . A A . 24 GLU OE2 1 1
10 3961 1 1 25 MVA C C -6.104 4.309 1.412 1.00 . A A . 25 MVA C 1 1
10 3962 1 1 25 MVA CA C -4.759 3.600 1.561 1.00 . A A . 25 MVA CA 1 1
10 3963 1 1 25 MVA CB C -4.916 2.454 2.610 1.00 . A A . 25 MVA CB 1 1
10 3964 1 1 25 MVA CG1 C -3.573 1.828 2.933 1.00 . A A . 25 MVA CG1 1 1
10 3965 1 1 25 MVA CG2 C -5.627 2.906 3.881 1.00 . A A . 25 MVA CG2 1 1
10 3966 1 1 25 MVA CN C -3.601 5.297 3.123 1.00 . A A . 25 MVA CN 1 1
10 3967 1 1 25 MVA HA H -4.559 3.120 0.612 1.00 . A A . 25 MVA HA 1 1
10 3968 1 1 25 MVA HB H -5.524 1.683 2.154 1.00 . A A . 25 MVA HB 1 1
10 3969 1 1 25 MVA HG11 H -3.708 1.045 3.666 1.00 . A A . 25 MVA HG11 1 1
10 3970 1 1 25 MVA HG12 H -2.912 2.582 3.329 1.00 . A A . 25 MVA HG12 1 1
10 3971 1 1 25 MVA HG13 H -3.146 1.409 2.034 1.00 . A A . 25 MVA HG13 1 1
10 3972 1 1 25 MVA HG21 H -5.840 2.046 4.499 1.00 . A A . 25 MVA HG21 1 1
10 3973 1 1 25 MVA HG22 H -6.551 3.400 3.619 1.00 . A A . 25 MVA HG22 1 1
10 3974 1 1 25 MVA HG23 H -4.994 3.590 4.425 1.00 . A A . 25 MVA HG23 1 1
10 3975 1 1 25 MVA HN1 H -4.575 5.286 3.585 1.00 . A A . 25 MVA HN1 1 1
10 3976 1 1 25 MVA HN2 H -3.313 6.318 2.921 1.00 . A A . 25 MVA HN2 1 1
10 3977 1 1 25 MVA HN3 H -2.882 4.845 3.788 1.00 . A A . 25 MVA HN3 1 1
10 3978 1 1 25 MVA N N -3.649 4.537 1.852 1.00 . A A . 25 MVA N 1 1
10 3979 1 1 25 MVA O O -6.378 5.330 2.047 1.00 . A A . 25 MVA O 1 1
10 3980 1 1 26 HIS C C -9.249 3.097 0.215 1.00 . A A . 26 HIS C 1 1
10 3981 1 1 26 HIS CA C -8.276 4.262 0.314 1.00 . A A . 26 HIS CA 1 1
10 3982 1 1 26 HIS CB C -8.348 5.107 -0.958 1.00 . A A . 26 HIS CB 1 1
10 3983 1 1 26 HIS CD2 C -6.376 6.791 -1.059 1.00 . A A . 26 HIS CD2 1 1
10 3984 1 1 26 HIS CE1 C -7.470 8.597 -0.481 1.00 . A A . 26 HIS CE1 1 1
10 3985 1 1 26 HIS CG C -7.665 6.437 -0.848 1.00 . A A . 26 HIS CG 1 1
10 3986 1 1 26 HIS H H -6.624 2.978 0.025 1.00 . A A . 26 HIS H 1 1
10 3987 1 1 26 HIS HA H -8.545 4.873 1.159 1.00 . A A . 26 HIS HA 1 1
10 3988 1 1 26 HIS HB2 H -7.883 4.564 -1.763 1.00 . A A . 26 HIS HB2 1 1
10 3989 1 1 26 HIS HB3 H -9.384 5.284 -1.202 1.00 . A A . 26 HIS HB3 1 1
10 3990 1 1 26 HIS HD1 H -9.277 7.662 -0.257 1.00 . A A . 26 HIS HD1 1 1
10 3991 1 1 26 HIS HD2 H -5.570 6.132 -1.353 1.00 . A A . 26 HIS HD2 1 1
10 3992 1 1 26 HIS HE1 H -7.706 9.621 -0.236 1.00 . A A . 26 HIS HE1 1 1
10 3993 1 1 26 HIS HE2 H -5.518 8.705 -1.075 1.00 . A A . 26 HIS HE2 1 1
10 3994 1 1 26 HIS N N -6.930 3.760 0.537 1.00 . A A . 26 HIS N 1 1
10 3995 1 1 26 HIS ND1 N -8.321 7.591 -0.486 1.00 . A A . 26 HIS ND1 1 1
10 3996 1 1 26 HIS NE2 N -6.282 8.140 -0.826 1.00 . A A . 26 HIS NE2 1 1
10 3997 1 1 26 HIS O O -9.256 2.359 -0.774 1.00 . A A . 26 HIS O 1 1
10 3998 1 1 27 CYS C C -12.320 2.262 0.656 1.00 . A A . 27 CYS C 1 1
10 3999 1 1 27 CYS CA C -11.010 1.836 1.304 1.00 . A A . 27 CYS CA 1 1
10 4000 1 1 27 CYS CB C -11.240 1.405 2.752 1.00 . A A . 27 CYS CB 1 1
10 4001 1 1 27 CYS H H -9.989 3.544 2.006 1.00 . A A . 27 CYS H 1 1
10 4002 1 1 27 CYS HA H -10.601 1.006 0.750 1.00 . A A . 27 CYS HA 1 1
10 4003 1 1 27 CYS HB2 H -11.644 2.238 3.307 1.00 . A A . 27 CYS HB2 1 1
10 4004 1 1 27 CYS HB3 H -11.947 0.590 2.769 1.00 . A A . 27 CYS HB3 1 1
10 4005 1 1 27 CYS N N -10.045 2.921 1.251 1.00 . A A . 27 CYS N 1 1
10 4006 1 1 27 CYS O O -12.807 1.616 -0.273 1.00 . A A . 27 CYS O 1 1
10 4007 1 1 27 CYS SG S -9.728 0.849 3.608 1.00 . A A . 27 CYS SG 1 1
10 4008 1 1 28 NH2 HN1 H -12.445 3.817 1.884 1.00 . A A . 28 NH2 HN1 1 1
10 4009 1 1 28 NH2 HN2 H -13.731 3.653 0.742 1.00 . A A . 28 NH2 HN2 1 1
10 4010 1 1 28 NH2 N N -12.888 3.352 1.142 1.00 . A A . 28 NH2 N 1 1
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