Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
514159 | 2ldd RC | 17659 | cing | 4-filtered-FRED | STAR | entry | full | 297 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2ldd
# This FRED archive file contains, for PDB entry <2ldd>:
#
# - 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_2ldd
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2ldd
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1645.00
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 $Estrogen_receptor_binding_stapled_peptide_SP6 A . 1 1
stop_
save_
save_Estrogen_receptor_binding_stapled_peptide_SP6
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Estrogen receptor binding stapled peptide SP6"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XEKHKILXRLLXDSX
_Entity.Number_of_monomers 15
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 ACE $ACE 1 1
2 GLU . 1 1
3 LYS . 1 1
4 HIS . 1 1
5 LYS . 1 1
6 ILE . 1 1
7 LEU . 1 1
8 . $. 1 1
9 ARG . 1 1
10 LEU . 1 1
11 LEU . 1 1
12 . $. 1 1
13 ASP . 1 1
14 SER . 1 1
15 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
ACE 1 1 1 1
GLU 2 2 1 1
LYS 3 3 1 1
HIS 4 4 1 1
LYS 5 5 1 1
ILE 6 6 1 1
LEU 7 7 1 1
. 8 8 1 1
ARG 9 9 1 1
LEU 10 10 1 1
LEU 11 11 1 1
. 12 12 1 1
ASP 13 13 1 1
SER 14 14 1 1
NH2 15 15 1 1
stop_
save_
save_ACE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ACE
_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_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
119 1 . . . 1 1
120 1 . . . 1 1
121 1 . . . 1 1
122 1 . . . 1 1
123 1 . . . 1 1
124 1 . . . 1 1
125 1 . . . 1 1
126 1 . . . 1 1
127 1 . . . 1 1
128 1 . . . 1 1
129 1 . . . 1 1
130 1 . . . 1 1
131 1 . . . 1 1
132 1 . . . 1 1
133 1 . . . 1 1
134 1 . . . 1 1
135 1 . . . 1 1
136 1 . . . 1 1
137 1 . . . 1 1
138 1 . . . 1 1
139 1 . . . 1 1
140 1 . . . 1 1
141 1 . . . 1 1
142 1 . . . 1 1
143 1 . . . 1 1
144 1 . . . 1 1
145 1 . . . 1 1
146 1 . . . 1 1
147 1 . . . 1 1
148 1 . . . 1 1
149 1 . . . 1 1
150 1 . . . 1 1
151 1 . . . 1 1
152 1 . . . 1 1
153 1 . . . 1 1
154 1 . . . 1 1
155 1 . . . 1 1
156 1 . . . 1 1
157 1 . . . 1 1
158 1 . . . 1 1
159 1 . . . 1 1
160 1 . . . 1 1
161 1 . . . 1 1
162 1 . . . 1 1
163 1 . . . 1 1
164 1 . . . 1 1
165 1 . . . 1 1
166 1 . . . 1 1
167 1 . . . 1 1
168 1 . . . 1 1
169 1 . . . 1 1
170 1 . . . 1 1
171 1 . . . 1 1
172 1 . . . 1 1
173 1 . . . 1 1
174 1 . . . 1 1
175 1 . . . 1 1
176 1 . . . 1 1
177 1 . . . 1 1
178 1 . . . 1 1
179 1 . . . 1 1
180 1 . . . 1 1
181 1 . . . 1 1
182 1 . . . 1 1
183 1 . . . 1 1
184 1 . . . 1 1
185 1 . . . 1 1
186 1 . . . 1 1
187 1 . . . 1 1
188 1 . . . 1 1
189 1 . . . 1 1
190 1 . . . 1 1
191 1 . . . 1 1
192 1 . . . 1 1
193 1 . . . 1 1
194 1 . . . 1 1
195 1 . . . 1 1
196 1 . . . 1 1
197 1 . . . 1 1
198 1 . . . 1 1
199 1 . . . 1 1
200 1 . . . 1 1
201 1 . . . 1 1
202 1 . . . 1 1
203 1 . . . 1 1
204 1 . . . 1 1
205 1 . . . 1 1
206 1 . . . 1 1
207 1 . . . 1 1
208 1 . . . 1 1
209 1 . . . 1 1
210 1 . . . 1 1
211 1 . . . 1 1
212 1 . . . 1 1
213 1 . . . 1 1
214 1 . . . 1 1
215 1 . . . 1 1
216 1 . . . 1 1
217 1 . . . 1 1
218 1 . . . 1 1
219 1 . . . 1 1
220 1 . . . 1 1
221 1 . . . 1 1
222 1 . . . 1 1
223 1 . . . 1 1
224 1 . . . 1 1
225 1 . . . 1 1
226 1 . . . 1 1
227 1 . . . 1 1
228 1 . . . 1 1
229 1 . . . 1 1
230 1 . . . 1 1
231 1 . . . 1 1
232 1 . . . 1 1
233 1 . . . 1 1
234 1 . . . 1 1
235 1 . . . 1 1
236 1 . . . 1 1
237 1 . . . 1 1
238 1 . . . 1 1
239 1 . . . 1 1
240 1 . . . 1 1
241 1 . . . 1 1
242 1 . . . 1 1
243 1 . . . 1 1
244 1 . . . 1 1
245 1 . . . 1 1
246 1 . . . 1 1
247 1 . . . 1 1
248 1 . . . 1 1
249 1 . . . 1 1
250 1 . . . 1 1
251 1 . . . 1 1
252 1 . . . 1 1
253 1 . . . 1 1
254 1 . . . 1 1
255 1 . . . 1 1
256 1 . . . 1 1
257 1 . . . 1 1
258 1 . . . 1 1
259 1 . . . 1 1
260 1 . . . 1 1
261 1 . . . 1 1
262 1 . . . 1 1
263 1 . . . 1 1
264 1 . . . 1 1
265 1 . . . 1 1
266 1 . . . 1 1
267 1 . . . 1 1
268 1 . . . 1 1
269 1 . . . 1 1
270 1 . . . 1 1
271 1 . . . 1 1
272 1 . . . 1 1
273 1 . . . 1 1
274 1 . . . 1 1
275 1 . . . 1 1
276 1 . . . 1 1
277 1 . . . 1 1
278 1 . . . 1 1
279 1 . . . 1 1
280 1 . . . 1 1
281 1 . . . 1 1
282 1 . . . 1 1
283 1 . . . 1 1
284 1 . . . 1 1
285 1 . . . 1 1
286 1 . . . 1 1
287 1 . . . 1 1
288 1 . . . 1 1
289 1 . . . 1 1
290 1 . . . 1 1
291 1 . . . 1 1
292 1 . . . 1 1
293 1 . . . 1 1
294 1 . . . 1 1
295 1 . . . 1 1
296 1 . . . 1 1
297 1 . . . 1 1
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 GLU H . 1 . HN 1 1
1 1 2 1 1 2 GLU HA . 1 . HA 1 1
2 1 1 1 1 2 GLU H . 1 . HN 1 1
2 1 2 1 1 2 GLU QB . 1 . HB1 1 1
3 1 1 1 1 2 GLU H . 1 . HN 1 1
3 1 2 1 1 2 GLU QG . 1 . HG# 1 1
4 1 1 1 1 2 GLU H . 1 . HN 1 1
4 1 2 1 1 3 LYS H . 2 . HN 1 1
5 1 1 1 1 2 GLU H . 1 . HN 1 1
5 1 2 1 1 3 LYS QB . 2 . HB# 1 1
6 1 1 1 1 2 GLU HA . 1 . HA 1 1
6 1 2 1 1 2 GLU QG . 1 . HG# 1 1
7 1 1 1 1 2 GLU HA . 1 . HA 1 1
7 1 2 1 1 3 LYS H . 2 . HN 1 1
8 1 1 1 1 2 GLU HA . 1 . HA 1 1
8 1 2 1 1 3 LYS QB . 2 . HB# 1 1
9 1 1 1 1 2 GLU HA . 1 . HA 1 1
9 1 2 1 1 4 HIS H . 3 . HN 1 1
10 1 1 1 1 2 GLU HA . 1 . HA 1 1
10 1 2 1 1 5 LYS H . 4 . HN 1 1
11 1 1 1 1 2 GLU HA . 1 . HA 1 1
11 1 2 1 1 5 LYS QB . 4 . HB# 1 1
12 1 1 1 1 2 GLU HA . 1 . HA 1 1
12 1 2 1 1 5 LYS QD . 4 . HD# 1 1
13 1 1 1 1 2 GLU HA . 1 . HA 1 1
13 1 2 1 1 5 LYS QG . 4 . HG1 1 1
14 1 1 1 1 2 GLU HA . 1 . HA 1 1
14 1 2 1 1 6 ILE MD . 5 . HD1# 1 1
15 1 1 1 1 2 GLU QB . 1 . HB1 1 1
15 1 2 1 1 2 GLU QG . 1 . HG# 1 1
16 1 1 1 1 2 GLU QB . 1 . HB1 1 1
16 1 2 1 1 3 LYS H . 2 . HN 1 1
17 1 1 1 1 2 GLU QB . 1 . HB1 1 1
17 1 2 1 1 3 LYS HA . 2 . HA 1 1
18 1 1 1 1 2 GLU QB . 1 . HB1 1 1
18 1 2 1 1 4 HIS H . 3 . HN 1 1
19 1 1 1 1 2 GLU QB . 1 . HB1 1 1
19 1 2 1 1 5 LYS QE . 4 . HE# 1 1
20 1 1 1 1 2 GLU QB . 1 . HB1 1 1
20 1 2 1 1 5 LYS QG . 4 . HG1 1 1
21 1 1 1 1 2 GLU QB . 1 . HB1 1 1
21 1 2 1 1 6 ILE MG . 5 . HG2# 1 1
22 1 1 1 1 2 GLU QG . 1 . HG# 1 1
22 1 2 1 1 3 LYS H . 2 . HN 1 1
23 1 1 1 1 2 GLU QG . 1 . HG# 1 1
23 1 2 1 1 5 LYS H . 4 . HN 1 1
24 1 1 1 1 2 GLU QG . 1 . HG# 1 1
24 1 2 1 1 5 LYS QB . 4 . HB# 1 1
25 1 1 1 1 2 GLU QG . 1 . HG# 1 1
25 1 2 1 1 5 LYS QD . 4 . HD# 1 1
26 1 1 1 1 2 GLU QG . 1 . HG# 1 1
26 1 2 1 1 5 LYS QE . 4 . HE# 1 1
27 1 1 1 1 2 GLU QG . 1 . HG# 1 1
27 1 2 1 1 5 LYS QG . 4 . HG1 1 1
28 1 1 1 1 2 GLU QG . 1 . HG# 1 1
28 1 2 1 1 6 ILE H . 5 . HN 1 1
29 1 1 1 1 2 GLU QG . 1 . HG# 1 1
29 1 2 1 1 6 ILE MD . 5 . HD1# 1 1
30 1 1 1 1 2 GLU QG . 1 . HG# 1 1
30 1 2 1 1 6 ILE QG . 5 . HG12 1 1
31 1 1 1 1 2 GLU QG . 1 . HG# 1 1
31 1 2 1 1 6 ILE MG . 5 . HG2# 1 1
32 1 1 1 1 3 LYS H . 2 . HN 1 1
32 1 2 1 1 3 LYS HA . 2 . HA 1 1
33 1 1 1 1 3 LYS H . 2 . HN 1 1
33 1 2 1 1 3 LYS QB . 2 . HB# 1 1
34 1 1 1 1 3 LYS H . 2 . HN 1 1
34 1 2 1 1 3 LYS QD . 2 . HD# 1 1
35 1 1 1 1 3 LYS H . 2 . HN 1 1
35 1 2 1 1 3 LYS QG . 2 . HG1 1 1
36 1 1 1 1 3 LYS H . 2 . HN 1 1
36 1 2 1 1 4 HIS H . 3 . HN 1 1
37 1 1 1 1 3 LYS H . 2 . HN 1 1
37 1 2 1 1 5 LYS H . 4 . HN 1 1
38 1 1 1 1 3 LYS HA . 2 . HA 1 1
38 1 2 1 1 3 LYS QB . 2 . HB# 1 1
39 1 1 1 1 3 LYS HA . 2 . HA 1 1
39 1 2 1 1 3 LYS QD . 2 . HD# 1 1
40 1 1 1 1 3 LYS HA . 2 . HA 1 1
40 1 2 1 1 3 LYS QE . 2 . HE# 1 1
41 1 1 1 1 3 LYS HA . 2 . HA 1 1
41 1 2 1 1 3 LYS QG . 2 . HG1 1 1
42 1 1 1 1 3 LYS HA . 2 . HA 1 1
42 1 2 1 1 4 HIS H . 3 . HN 1 1
43 1 1 1 1 3 LYS HA . 2 . HA 1 1
43 1 2 1 1 4 HIS HA . 3 . HA 1 1
44 1 1 1 1 3 LYS HA . 2 . HA 1 1
44 1 2 1 1 5 LYS H . 4 . HN 1 1
45 1 1 1 1 3 LYS HA . 2 . HA 1 1
45 1 2 1 1 6 ILE H . 5 . HN 1 1
46 1 1 1 1 3 LYS HA . 2 . HA 1 1
46 1 2 1 1 6 ILE MG . 5 . HG2# 1 1
47 1 1 1 1 3 LYS HA . 2 . HA 1 1
47 1 2 1 1 7 LEU H . 6 . HN 1 1
48 1 1 1 1 3 LYS QB . 2 . HB# 1 1
48 1 2 1 1 3 LYS QD . 2 . HD# 1 1
49 1 1 1 1 3 LYS QB . 2 . HB# 1 1
49 1 2 1 1 3 LYS QG . 2 . HG1 1 1
50 1 1 1 1 3 LYS QB . 2 . HB# 1 1
50 1 2 1 1 4 HIS H . 3 . HN 1 1
51 1 1 1 1 3 LYS QB . 2 . HB# 1 1
51 1 2 1 1 4 HIS HA . 3 . HA 1 1
52 1 1 1 1 3 LYS QB . 2 . HB# 1 1
52 1 2 1 1 4 HIS QB . 3 . HB1 1 1
53 1 1 1 1 3 LYS QB . 2 . HB# 1 1
53 1 2 1 1 5 LYS H . 4 . HN 1 1
54 1 1 1 1 3 LYS QB . 2 . HB# 1 1
54 1 2 1 1 6 ILE MD . 5 . HD1# 1 1
55 1 1 1 1 3 LYS QB . 2 . HB# 1 1
55 1 2 1 1 6 ILE MG . 5 . HG2# 1 1
56 1 1 1 1 3 LYS QD . 2 . HD# 1 1
56 1 2 1 1 3 LYS QG . 2 . HG1 1 1
57 1 1 1 1 3 LYS QE . 2 . HE# 1 1
57 1 2 1 1 3 LYS QG . 2 . HG1 1 1
58 1 1 1 1 3 LYS QE . 2 . HE# 1 1
58 1 2 1 1 6 ILE MD . 5 . HD1# 1 1
59 1 1 1 1 3 LYS QE . 2 . HE# 1 1
59 1 2 1 1 7 LEU QD . 6 . HD1# 1 1
60 1 1 1 1 3 LYS QG . 2 . HG2 1 1
60 1 2 1 1 4 HIS H . 3 . HN 1 1
61 1 1 1 1 3 LYS QG . 2 . HG2 1 1
61 1 2 1 1 4 HIS HA . 3 . HA 1 1
62 1 1 1 1 3 LYS QG . 2 . HG2 1 1
62 1 2 1 1 4 HIS QB . 3 . HB2 1 1
63 1 1 1 1 3 LYS QG . 2 . HG1 1 1
63 1 2 1 1 6 ILE MG . 5 . HG2# 1 1
64 1 1 1 1 3 LYS QG . 2 . HG2 1 1
64 1 2 1 1 7 LEU QD . 6 . HD1# 1 1
65 1 1 1 1 4 HIS H . 3 . HN 1 1
65 1 2 1 1 4 HIS HA . 3 . HA 1 1
66 1 1 1 1 4 HIS H . 3 . HN 1 1
66 1 2 1 1 4 HIS QB . 3 . HB1 1 1
67 1 1 1 1 4 HIS H . 3 . HN 1 1
67 1 2 1 1 4 HIS HD2 . 3 . HD2 1 1
68 1 1 1 1 4 HIS H . 3 . HN 1 1
68 1 2 1 1 5 LYS H . 4 . HN 1 1
69 1 1 1 1 4 HIS H . 3 . HN 1 1
69 1 2 1 1 5 LYS QB . 4 . HB# 1 1
70 1 1 1 1 4 HIS H . 3 . HN 1 1
70 1 2 1 1 5 LYS QG . 4 . HG1 1 1
71 1 1 1 1 4 HIS H . 3 . HN 1 1
71 1 2 1 1 6 ILE H . 5 . HN 1 1
72 1 1 1 1 4 HIS HA . 3 . HA 1 1
72 1 2 1 1 4 HIS QB . 3 . HB1 1 1
73 1 1 1 1 4 HIS HA . 3 . HA 1 1
73 1 2 1 1 4 HIS HD2 . 3 . HD2 1 1
74 1 1 1 1 4 HIS HA . 3 . HA 1 1
74 1 2 1 1 5 LYS H . 4 . HN 1 1
75 1 1 1 1 4 HIS HA . 3 . HA 1 1
75 1 2 1 1 5 LYS HA . 4 . HA 1 1
76 1 1 1 1 4 HIS HA . 3 . HA 1 1
76 1 2 1 1 6 ILE H . 5 . HN 1 1
77 1 1 1 1 4 HIS HA . 3 . HA 1 1
77 1 2 1 1 7 LEU H . 6 . HN 1 1
78 1 1 1 1 4 HIS HA . 3 . HA 1 1
78 1 2 1 1 7 LEU HB2 . 6 . HB2 1 1
79 1 1 1 1 4 HIS HA . 3 . HA 1 1
79 1 2 1 1 7 LEU HB3 . 6 . HB1 1 1
80 1 1 1 1 4 HIS HA . 3 . HA 1 1
80 1 2 1 1 7 LEU QD . 6 . HD1# 1 1
81 1 1 1 1 4 HIS HA . 3 . HA 1 1
81 1 2 1 1 8 . HN . 7 . HN 1 1
82 1 1 1 1 4 HIS QB . 3 . HB1 1 1
82 1 2 1 1 5 LYS H . 4 . HN 1 1
83 1 1 1 1 4 HIS QB . 3 . HB1 1 1
83 1 2 1 1 5 LYS QB . 4 . HB# 1 1
84 1 1 1 1 4 HIS QB . 3 . HB1 1 1
84 1 2 1 1 5 LYS QG . 4 . HG1 1 1
85 1 1 1 1 4 HIS HD2 . 3 . HD2 1 1
85 1 2 1 1 5 LYS HA . 4 . HA 1 1
86 1 1 1 1 4 HIS HD2 . 3 . HD2 1 1
86 1 2 1 1 5 LYS QG . 4 . HG1 1 1
87 1 1 1 1 5 LYS H . 4 . HN 1 1
87 1 2 1 1 5 LYS HA . 4 . HA 1 1
88 1 1 1 1 5 LYS H . 4 . HN 1 1
88 1 2 1 1 5 LYS QB . 4 . HB# 1 1
89 1 1 1 1 5 LYS H . 4 . HN 1 1
89 1 2 1 1 5 LYS QD . 4 . HD# 1 1
90 1 1 1 1 5 LYS H . 4 . HN 1 1
90 1 2 1 1 5 LYS QE . 4 . HE# 1 1
91 1 1 1 1 5 LYS H . 4 . HN 1 1
91 1 2 1 1 5 LYS QG . 4 . HG1 1 1
92 1 1 1 1 5 LYS H . 4 . HN 1 1
92 1 2 1 1 6 ILE H . 5 . HN 1 1
93 1 1 1 1 5 LYS H . 4 . HN 1 1
93 1 2 1 1 6 ILE QG . 5 . HG11 1 1
94 1 1 1 1 5 LYS H . 4 . HN 1 1
94 1 2 1 1 6 ILE MG . 5 . HG2# 1 1
95 1 1 1 1 5 LYS H . 4 . HN 1 1
95 1 2 1 1 7 LEU H . 6 . HN 1 1
96 1 1 1 1 5 LYS HA . 4 . HA 1 1
96 1 2 1 1 5 LYS QB . 4 . HB# 1 1
97 1 1 1 1 5 LYS HA . 4 . HA 1 1
97 1 2 1 1 5 LYS QD . 4 . HD# 1 1
98 1 1 1 1 5 LYS HA . 4 . HA 1 1
98 1 2 1 1 5 LYS QE . 4 . HE# 1 1
99 1 1 1 1 5 LYS HA . 4 . HA 1 1
99 1 2 1 1 5 LYS QG . 4 . HG1 1 1
100 1 1 1 1 5 LYS HA . 4 . HA 1 1
100 1 2 1 1 6 ILE H . 5 . HN 1 1
101 1 1 1 1 5 LYS HA . 4 . HA 1 1
101 1 2 1 1 6 ILE HA . 5 . HA 1 1
102 1 1 1 1 5 LYS HA . 4 . HA 1 1
102 1 2 1 1 7 LEU H . 6 . HN 1 1
103 1 1 1 1 5 LYS HA . 4 . HA 1 1
103 1 2 1 1 8 . HN . 7 . HN 1 1
104 1 1 1 1 5 LYS HA . 4 . HA 1 1
104 1 2 1 1 9 ARG H . 8 . HN 1 1
105 1 1 1 1 5 LYS HA . 4 . HA 1 1
105 1 2 1 1 9 ARG HG3 . 8 . HG1 1 1
106 1 1 1 1 5 LYS QB . 4 . HB# 1 1
106 1 2 1 1 5 LYS QD . 4 . HD# 1 1
107 1 1 1 1 5 LYS QB . 4 . HB# 1 1
107 1 2 1 1 5 LYS QE . 4 . HE# 1 1
108 1 1 1 1 5 LYS QB . 4 . HB# 1 1
108 1 2 1 1 5 LYS QG . 4 . HG1 1 1
109 1 1 1 1 5 LYS QB . 4 . HB# 1 1
109 1 2 1 1 6 ILE H . 5 . HN 1 1
110 1 1 1 1 5 LYS QB . 4 . HB# 1 1
110 1 2 1 1 6 ILE HA . 5 . HA 1 1
111 1 1 1 1 5 LYS QB . 4 . HB# 1 1
111 1 2 1 1 6 ILE MD . 5 . HD1# 1 1
112 1 1 1 1 5 LYS QB . 4 . HB# 1 1
112 1 2 1 1 6 ILE MG . 5 . HG2# 1 1
113 1 1 1 1 5 LYS QB . 4 . HB# 1 1
113 1 2 1 1 7 LEU H . 6 . HN 1 1
114 1 1 1 1 5 LYS QB . 4 . HB# 1 1
114 1 2 1 1 9 ARG QD . 8 . HD# 1 1
115 1 1 1 1 5 LYS QB . 4 . HB# 1 1
115 1 2 1 1 9 ARG HE . 8 . HE 1 1
116 1 1 1 1 5 LYS QB . 4 . HB# 1 1
116 1 2 1 1 9 ARG HG3 . 8 . HG1 1 1
117 1 1 1 1 5 LYS QB . 4 . HB# 1 1
117 1 2 1 1 9 ARG QH1 . 8 . HH1# 1 1
118 1 1 1 1 5 LYS QB . 4 . HB# 1 1
118 1 2 1 1 9 ARG QH2 . 8 . HH2# 1 1
119 1 1 1 1 5 LYS QD . 4 . HD# 1 1
119 1 2 1 1 5 LYS QG . 4 . HG2 1 1
120 1 1 1 1 5 LYS QD . 4 . HD# 1 1
120 1 2 1 1 6 ILE H . 5 . HN 1 1
121 1 1 1 1 5 LYS QD . 4 . HD# 1 1
121 1 2 1 1 9 ARG HE . 8 . HE 1 1
122 1 1 1 1 5 LYS QD . 4 . HD# 1 1
122 1 2 1 1 9 ARG QH2 . 8 . HH2# 1 1
123 1 1 1 1 5 LYS QE . 4 . HE# 1 1
123 1 2 1 1 5 LYS QG . 4 . HG1 1 1
124 1 1 1 1 5 LYS QE . 4 . HE# 1 1
124 1 2 1 1 9 ARG QH2 . 8 . HH2# 1 1
125 1 1 1 1 5 LYS QG . 4 . HG1 1 1
125 1 2 1 1 6 ILE H . 5 . HN 1 1
126 1 1 1 1 6 ILE H . 5 . HN 1 1
126 1 2 1 1 6 ILE HA . 5 . HA 1 1
127 1 1 1 1 6 ILE H . 5 . HN 1 1
127 1 2 1 1 6 ILE HB . 5 . HB 1 1
128 1 1 1 1 6 ILE H . 5 . HN 1 1
128 1 2 1 1 6 ILE MD . 5 . HD1# 1 1
129 1 1 1 1 6 ILE H . 5 . HN 1 1
129 1 2 1 1 6 ILE QG . 5 . HG11 1 1
130 1 1 1 1 6 ILE H . 5 . HN 1 1
130 1 2 1 1 6 ILE MG . 5 . HG2# 1 1
131 1 1 1 1 6 ILE H . 5 . HN 1 1
131 1 2 1 1 7 LEU H . 6 . HN 1 1
132 1 1 1 1 6 ILE H . 5 . HN 1 1
132 1 2 1 1 7 LEU HB2 . 6 . HB2 1 1
133 1 1 1 1 6 ILE HA . 5 . HA 1 1
133 1 2 1 1 6 ILE HB . 5 . HB 1 1
134 1 1 1 1 6 ILE HA . 5 . HA 1 1
134 1 2 1 1 6 ILE MD . 5 . HD1# 1 1
135 1 1 1 1 6 ILE HA . 5 . HA 1 1
135 1 2 1 1 6 ILE QG . 5 . HG11 1 1
136 1 1 1 1 6 ILE HA . 5 . HA 1 1
136 1 2 1 1 6 ILE MG . 5 . HG2# 1 1
137 1 1 1 1 6 ILE HA . 5 . HA 1 1
137 1 2 1 1 7 LEU H . 6 . HN 1 1
138 1 1 1 1 6 ILE HA . 5 . HA 1 1
138 1 2 1 1 7 LEU HA . 6 . HA 1 1
139 1 1 1 1 6 ILE HA . 5 . HA 1 1
139 1 2 1 1 8 . HN . 7 . HN 1 1
140 1 1 1 1 6 ILE HA . 5 . HA 1 1
140 1 2 1 1 9 ARG H . 8 . HN 1 1
141 1 1 1 1 6 ILE HA . 5 . HA 1 1
141 1 2 1 1 9 ARG QB . 8 . HB2 1 1
142 1 1 1 1 6 ILE HA . 5 . HA 1 1
142 1 2 1 1 9 ARG QD . 8 . HD# 1 1
143 1 1 1 1 6 ILE HA . 5 . HA 1 1
143 1 2 1 1 9 ARG HG3 . 8 . HG1 1 1
144 1 1 1 1 6 ILE HA . 5 . HA 1 1
144 1 2 1 1 10 LEU H . 9 . HN 1 1
145 1 1 1 1 6 ILE HB . 5 . HB 1 1
145 1 2 1 1 6 ILE MD . 5 . HD1# 1 1
146 1 1 1 1 6 ILE HB . 5 . HB 1 1
146 1 2 1 1 6 ILE QG . 5 . HG11 1 1
147 1 1 1 1 6 ILE HB . 5 . HB 1 1
147 1 2 1 1 6 ILE MG . 5 . HG2# 1 1
148 1 1 1 1 6 ILE HB . 5 . HB 1 1
148 1 2 1 1 7 LEU H . 6 . HN 1 1
149 1 1 1 1 6 ILE HB . 5 . HB 1 1
149 1 2 1 1 7 LEU HA . 6 . HA 1 1
150 1 1 1 1 6 ILE MD . 5 . HD1# 1 1
150 1 2 1 1 6 ILE QG . 5 . HG11 1 1
151 1 1 1 1 6 ILE MD . 5 . HD1# 1 1
151 1 2 1 1 7 LEU H . 6 . HN 1 1
152 1 1 1 1 6 ILE MD . 5 . HD1# 1 1
152 1 2 1 1 9 ARG QB . 8 . HB1 1 1
153 1 1 1 1 6 ILE MD . 5 . HD1# 1 1
153 1 2 1 1 9 ARG QD . 8 . HD# 1 1
154 1 1 1 1 6 ILE MD . 5 . HD1# 1 1
154 1 2 1 1 10 LEU QB . 9 . HB2 1 1
155 1 1 1 1 6 ILE QG . 5 . HG11 1 1
155 1 2 1 1 6 ILE MG . 5 . HG2# 1 1
156 1 1 1 1 6 ILE QG . 5 . HG11 1 1
156 1 2 1 1 7 LEU H . 6 . HN 1 1
157 1 1 1 1 6 ILE QG . 5 . HG11 1 1
157 1 2 1 1 9 ARG QB . 8 . HB2 1 1
158 1 1 1 1 6 ILE QG . 5 . HG11 1 1
158 1 2 1 1 10 LEU QB . 9 . HB2 1 1
159 1 1 1 1 6 ILE MG . 5 . HG2# 1 1
159 1 2 1 1 7 LEU H . 6 . HN 1 1
160 1 1 1 1 6 ILE MG . 5 . HG2# 1 1
160 1 2 1 1 7 LEU HA . 6 . HA 1 1
161 1 1 1 1 6 ILE MG . 5 . HG2# 1 1
161 1 2 1 1 9 ARG QD . 8 . HD# 1 1
162 1 1 1 1 6 ILE MG . 5 . HG2# 1 1
162 1 2 1 1 10 LEU H . 9 . HN 1 1
163 1 1 1 1 7 LEU H . 6 . HN 1 1
163 1 2 1 1 7 LEU HA . 6 . HA 1 1
164 1 1 1 1 7 LEU H . 6 . HN 1 1
164 1 2 1 1 7 LEU HB2 . 6 . HB2 1 1
165 1 1 1 1 7 LEU H . 6 . HN 1 1
165 1 2 1 1 7 LEU HB3 . 6 . HB1 1 1
166 1 1 1 1 7 LEU H . 6 . HN 1 1
166 1 2 1 1 7 LEU QD . 6 . HD1# 1 1
167 1 1 1 1 7 LEU H . 6 . HN 1 1
167 1 2 1 1 7 LEU HG . 6 . HG 1 1
168 1 1 1 1 7 LEU H . 6 . HN 1 1
168 1 2 1 1 8 . HN . 7 . HN 1 1
169 1 1 1 1 7 LEU HA . 6 . HA 1 1
169 1 2 1 1 7 LEU HB2 . 6 . HB2 1 1
170 1 1 1 1 7 LEU HA . 6 . HA 1 1
170 1 2 1 1 7 LEU HB3 . 6 . HB1 1 1
171 1 1 1 1 7 LEU HA . 6 . HA 1 1
171 1 2 1 1 7 LEU QD . 6 . HD1# 1 1
172 1 1 1 1 7 LEU HA . 6 . HA 1 1
172 1 2 1 1 7 LEU HG . 6 . HG 1 1
173 1 1 1 1 7 LEU HA . 6 . HA 1 1
173 1 2 1 1 8 . HN . 7 . HN 1 1
174 1 1 1 1 7 LEU HA . 6 . HA 1 1
174 1 2 1 1 9 ARG H . 8 . HN 1 1
175 1 1 1 1 7 LEU HA . 6 . HA 1 1
175 1 2 1 1 10 LEU H . 9 . HN 1 1
176 1 1 1 1 7 LEU HA . 6 . HA 1 1
176 1 2 1 1 10 LEU QB . 9 . HB1 1 1
177 1 1 1 1 7 LEU HA . 6 . HA 1 1
177 1 2 1 1 10 LEU QD . 9 . HD1# 1 1
178 1 1 1 1 7 LEU HA . 6 . HA 1 1
178 1 2 1 1 11 LEU H . 10 . HN 1 1
179 1 1 1 1 7 LEU HA . 6 . HA 1 1
179 1 2 1 1 11 LEU QB . 10 . HB# 1 1
180 1 1 1 1 7 LEU HB2 . 6 . HB2 1 1
180 1 2 1 1 7 LEU HG . 6 . HG 1 1
181 1 1 1 1 7 LEU HB2 . 6 . HB2 1 1
181 1 2 1 1 8 . HN . 7 . HN 1 1
182 1 1 1 1 7 LEU HB3 . 6 . HB1 1 1
182 1 2 1 1 7 LEU HG . 6 . HG 1 1
183 1 1 1 1 7 LEU HB3 . 6 . HB1 1 1
183 1 2 1 1 8 . HN . 7 . HN 1 1
184 1 1 1 1 7 LEU HB3 . 6 . HB1 1 1
184 1 2 1 1 9 ARG H . 8 . HN 1 1
185 1 1 1 1 7 LEU QD . 6 . HD2# 1 1
185 1 2 1 1 7 LEU HG . 6 . HG 1 1
186 1 1 1 1 7 LEU QD . 6 . HD1# 1 1
186 1 2 1 1 8 . HN . 7 . HN 1 1
187 1 1 1 1 7 LEU QD . 6 . HD2# 1 1
187 1 2 1 1 11 LEU H . 10 . HN 1 1
188 1 1 1 1 7 LEU QD . 6 . HD2# 1 1
188 1 2 1 1 11 LEU QD . 10 . HD2# 1 1
189 1 1 1 1 7 LEU HG . 6 . HG 1 1
189 1 2 1 1 8 . HN . 7 . HN 1 1
190 1 1 1 1 8 . HN . 7 . HN 1 1
190 1 2 1 1 9 ARG H . 8 . HN 1 1
191 1 1 1 1 8 . HN . 7 . HN 1 1
191 1 2 1 1 9 ARG QB . 8 . HB2 1 1
192 1 1 1 1 8 . HN . 7 . HN 1 1
192 1 2 1 1 9 ARG HG3 . 8 . HG1 1 1
193 1 1 1 1 8 . HN . 7 . HN 1 1
193 1 2 1 1 10 LEU H . 9 . HN 1 1
194 1 1 1 1 9 ARG H . 8 . HN 1 1
194 1 2 1 1 9 ARG HA . 8 . HA 1 1
195 1 1 1 1 9 ARG H . 8 . HN 1 1
195 1 2 1 1 9 ARG QB . 8 . HB1 1 1
196 1 1 1 1 9 ARG H . 8 . HN 1 1
196 1 2 1 1 9 ARG QD . 8 . HD# 1 1
197 1 1 1 1 9 ARG H . 8 . HN 1 1
197 1 2 1 1 9 ARG HG2 . 8 . HG2 1 1
198 1 1 1 1 9 ARG H . 8 . HN 1 1
198 1 2 1 1 9 ARG HG3 . 8 . HG1 1 1
199 1 1 1 1 9 ARG H . 8 . HN 1 1
199 1 2 1 1 10 LEU H . 9 . HN 1 1
200 1 1 1 1 9 ARG H . 8 . HN 1 1
200 1 2 1 1 10 LEU QB . 9 . HB2 1 1
201 1 1 1 1 9 ARG H . 8 . HN 1 1
201 1 2 1 1 11 LEU H . 10 . HN 1 1
202 1 1 1 1 9 ARG HA . 8 . HA 1 1
202 1 2 1 1 9 ARG QB . 8 . HB1 1 1
203 1 1 1 1 9 ARG HA . 8 . HA 1 1
203 1 2 1 1 9 ARG QD . 8 . HD# 1 1
204 1 1 1 1 9 ARG HA . 8 . HA 1 1
204 1 2 1 1 9 ARG HG2 . 8 . HG2 1 1
205 1 1 1 1 9 ARG HA . 8 . HA 1 1
205 1 2 1 1 9 ARG HG3 . 8 . HG1 1 1
206 1 1 1 1 9 ARG HA . 8 . HA 1 1
206 1 2 1 1 10 LEU H . 9 . HN 1 1
207 1 1 1 1 9 ARG HA . 8 . HA 1 1
207 1 2 1 1 10 LEU HA . 9 . HA 1 1
208 1 1 1 1 9 ARG HA . 8 . HA 1 1
208 1 2 1 1 11 LEU H . 10 . HN 1 1
209 1 1 1 1 9 ARG HA . 8 . HA 1 1
209 1 2 1 1 12 . HN . 11 . HN 1 1
210 1 1 1 1 9 ARG HA . 8 . HA 1 1
210 1 2 1 1 13 ASP H . 12 . HN 1 1
211 1 1 1 1 9 ARG HA . 8 . HA 1 1
211 1 2 1 1 13 ASP QB . 12 . HB# 1 1
212 1 1 1 1 9 ARG QB . 8 . HB1 1 1
212 1 2 1 1 9 ARG QD . 8 . HD# 1 1
213 1 1 1 1 9 ARG QB . 8 . HB1 1 1
213 1 2 1 1 9 ARG HE . 8 . HE 1 1
214 1 1 1 1 9 ARG QB . 8 . HB1 1 1
214 1 2 1 1 9 ARG QH1 . 8 . HH1# 1 1
215 1 1 1 1 9 ARG QB . 8 . HB1 1 1
215 1 2 1 1 10 LEU H . 9 . HN 1 1
216 1 1 1 1 9 ARG QB . 8 . HB1 1 1
216 1 2 1 1 10 LEU HA . 9 . HA 1 1
217 1 1 1 1 9 ARG QB . 8 . HB1 1 1
217 1 2 1 1 13 ASP QB . 12 . HB# 1 1
218 1 1 1 1 9 ARG QD . 8 . HD# 1 1
218 1 2 1 1 9 ARG HE . 8 . HE 1 1
219 1 1 1 1 9 ARG QD . 8 . HD# 1 1
219 1 2 1 1 9 ARG HG2 . 8 . HG2 1 1
220 1 1 1 1 9 ARG QD . 8 . HD# 1 1
220 1 2 1 1 9 ARG HG3 . 8 . HG1 1 1
221 1 1 1 1 9 ARG QD . 8 . HD# 1 1
221 1 2 1 1 9 ARG QH1 . 8 . HH1# 1 1
222 1 1 1 1 9 ARG QD . 8 . HD# 1 1
222 1 2 1 1 9 ARG QH2 . 8 . HH2# 1 1
223 1 1 1 1 9 ARG HE . 8 . HE 1 1
223 1 2 1 1 9 ARG HG2 . 8 . HG2 1 1
224 1 1 1 1 9 ARG HE . 8 . HE 1 1
224 1 2 1 1 9 ARG HG3 . 8 . HG1 1 1
225 1 1 1 1 9 ARG HE . 8 . HE 1 1
225 1 2 1 1 9 ARG QH1 . 8 . HH1# 1 1
226 1 1 1 1 9 ARG HE . 8 . HE 1 1
226 1 2 1 1 9 ARG QH2 . 8 . HH2# 1 1
227 1 1 1 1 9 ARG HG2 . 8 . HG2 1 1
227 1 2 1 1 9 ARG QH1 . 8 . HH1# 1 1
228 1 1 1 1 9 ARG HG2 . 8 . HG2 1 1
228 1 2 1 1 9 ARG QH2 . 8 . HH2# 1 1
229 1 1 1 1 9 ARG HG3 . 8 . HG1 1 1
229 1 2 1 1 9 ARG QH1 . 8 . HH1# 1 1
230 1 1 1 1 9 ARG HG3 . 8 . HG1 1 1
230 1 2 1 1 9 ARG QH2 . 8 . HH2# 1 1
231 1 1 1 1 9 ARG HG3 . 8 . HG1 1 1
231 1 2 1 1 10 LEU H . 9 . HN 1 1
232 1 1 1 1 10 LEU H . 9 . HN 1 1
232 1 2 1 1 10 LEU HA . 9 . HA 1 1
233 1 1 1 1 10 LEU H . 9 . HN 1 1
233 1 2 1 1 10 LEU QB . 9 . HB1 1 1
234 1 1 1 1 10 LEU H . 9 . HN 1 1
234 1 2 1 1 10 LEU QD . 9 . HD1# 1 1
235 1 1 1 1 10 LEU H . 9 . HN 1 1
235 1 2 1 1 10 LEU HG . 9 . HG 1 1
236 1 1 1 1 10 LEU H . 9 . HN 1 1
236 1 2 1 1 11 LEU H . 10 . HN 1 1
237 1 1 1 1 10 LEU H . 9 . HN 1 1
237 1 2 1 1 11 LEU QB . 10 . HB# 1 1
238 1 1 1 1 10 LEU H . 9 . HN 1 1
238 1 2 1 1 12 . HN . 11 . HN 1 1
239 1 1 1 1 10 LEU H . 9 . HN 1 1
239 1 2 1 1 13 ASP QB . 12 . HB# 1 1
240 1 1 1 1 10 LEU HA . 9 . HA 1 1
240 1 2 1 1 10 LEU QB . 9 . HB1 1 1
241 1 1 1 1 10 LEU HA . 9 . HA 1 1
241 1 2 1 1 10 LEU QD . 9 . HD1# 1 1
242 1 1 1 1 10 LEU HA . 9 . HA 1 1
242 1 2 1 1 10 LEU HG . 9 . HG 1 1
243 1 1 1 1 10 LEU HA . 9 . HA 1 1
243 1 2 1 1 11 LEU H . 10 . HN 1 1
244 1 1 1 1 10 LEU HA . 9 . HA 1 1
244 1 2 1 1 13 ASP H . 12 . HN 1 1
245 1 1 1 1 10 LEU HA . 9 . HA 1 1
245 1 2 1 1 13 ASP QB . 12 . HB# 1 1
246 1 1 1 1 10 LEU QB . 9 . HB1 1 1
246 1 2 1 1 10 LEU QD . 9 . HD1# 1 1
247 1 1 1 1 10 LEU QB . 9 . HB1 1 1
247 1 2 1 1 10 LEU HG . 9 . HG 1 1
248 1 1 1 1 10 LEU QB . 9 . HB1 1 1
248 1 2 1 1 11 LEU H . 10 . HN 1 1
249 1 1 1 1 10 LEU QB . 9 . HB1 1 1
249 1 2 1 1 11 LEU HA . 10 . HA 1 1
250 1 1 1 1 10 LEU QB . 9 . HB1 1 1
250 1 2 1 1 11 LEU QB . 10 . HB# 1 1
251 1 1 1 1 10 LEU QD . 9 . HD2# 1 1
251 1 2 1 1 10 LEU HG . 9 . HG 1 1
252 1 1 1 1 10 LEU QD . 9 . HD1# 1 1
252 1 2 1 1 11 LEU H . 10 . HN 1 1
253 1 1 1 1 10 LEU QD . 9 . HD2# 1 1
253 1 2 1 1 11 LEU HA . 10 . HA 1 1
254 1 1 1 1 10 LEU QD . 9 . HD1# 1 1
254 1 2 1 1 13 ASP QB . 12 . HB# 1 1
255 1 1 1 1 10 LEU HG . 9 . HG 1 1
255 1 2 1 1 11 LEU H . 10 . HN 1 1
256 1 1 1 1 10 LEU HG . 9 . HG 1 1
256 1 2 1 1 11 LEU HA . 10 . HA 1 1
257 1 1 1 1 10 LEU HG . 9 . HG 1 1
257 1 2 1 1 13 ASP QB . 12 . HB# 1 1
258 1 1 1 1 11 LEU H . 10 . HN 1 1
258 1 2 1 1 11 LEU HA . 10 . HA 1 1
259 1 1 1 1 11 LEU H . 10 . HN 1 1
259 1 2 1 1 11 LEU QB . 10 . HB# 1 1
260 1 1 1 1 11 LEU H . 10 . HN 1 1
260 1 2 1 1 11 LEU QD . 10 . HD1# 1 1
261 1 1 1 1 11 LEU H . 10 . HN 1 1
261 1 2 1 1 11 LEU HG . 10 . HG 1 1
262 1 1 1 1 11 LEU H . 10 . HN 1 1
262 1 2 1 1 12 . HN . 11 . HN 1 1
263 1 1 1 1 11 LEU H . 10 . HN 1 1
263 1 2 1 1 13 ASP H . 12 . HN 1 1
264 1 1 1 1 11 LEU H . 10 . HN 1 1
264 1 2 1 1 13 ASP QB . 12 . HB# 1 1
265 1 1 1 1 11 LEU H . 10 . HN 1 1
265 1 2 1 1 14 SER H . 13 . HN 1 1
266 1 1 1 1 11 LEU HA . 10 . HA 1 1
266 1 2 1 1 11 LEU QB . 10 . HB# 1 1
267 1 1 1 1 11 LEU HA . 10 . HA 1 1
267 1 2 1 1 11 LEU QD . 10 . HD1# 1 1
268 1 1 1 1 11 LEU HA . 10 . HA 1 1
268 1 2 1 1 11 LEU HG . 10 . HG 1 1
269 1 1 1 1 11 LEU HA . 10 . HA 1 1
269 1 2 1 1 12 . HN . 11 . HN 1 1
270 1 1 1 1 11 LEU HA . 10 . HA 1 1
270 1 2 1 1 13 ASP H . 12 . HN 1 1
271 1 1 1 1 11 LEU HA . 10 . HA 1 1
271 1 2 1 1 13 ASP QB . 12 . HB# 1 1
272 1 1 1 1 11 LEU HA . 10 . HA 1 1
272 1 2 1 1 14 SER H . 13 . HN 1 1
273 1 1 1 1 11 LEU QB . 10 . HB# 1 1
273 1 2 1 1 11 LEU QD . 10 . HD1# 1 1
274 1 1 1 1 11 LEU QB . 10 . HB# 1 1
274 1 2 1 1 11 LEU HG . 10 . HG 1 1
275 1 1 1 1 11 LEU QB . 10 . HB# 1 1
275 1 2 1 1 12 . HN . 11 . HN 1 1
276 1 1 1 1 11 LEU QB . 10 . HB# 1 1
276 1 2 1 1 13 ASP H . 12 . HN 1 1
277 1 1 1 1 11 LEU QD . 10 . HD1# 1 1
277 1 2 1 1 11 LEU HG . 10 . HG 1 1
278 1 1 1 1 11 LEU QD . 10 . HD1# 1 1
278 1 2 1 1 12 . HN . 11 . HN 1 1
279 1 1 1 1 11 LEU QD . 10 . HD1# 1 1
279 1 2 1 1 13 ASP H . 12 . HN 1 1
280 1 1 1 1 11 LEU QD . 10 . HD1# 1 1
280 1 2 1 1 14 SER QB . 13 . HB# 1 1
281 1 1 1 1 11 LEU HG . 10 . HG 1 1
281 1 2 1 1 12 . HN . 11 . HN 1 1
282 1 1 1 1 12 . HN . 11 . HN 1 1
282 1 2 1 1 13 ASP H . 12 . HN 1 1
283 1 1 1 1 12 . HN . 11 . HN 1 1
283 1 2 1 1 13 ASP QB . 12 . HB# 1 1
284 1 1 1 1 12 . HN . 11 . HN 1 1
284 1 2 1 1 14 SER H . 13 . HN 1 1
285 1 1 1 1 13 ASP H . 12 . HN 1 1
285 1 2 1 1 13 ASP HA . 12 . HA 1 1
286 1 1 1 1 13 ASP H . 12 . HN 1 1
286 1 2 1 1 13 ASP QB . 12 . HB# 1 1
287 1 1 1 1 13 ASP H . 12 . HN 1 1
287 1 2 1 1 14 SER H . 13 . HN 1 1
288 1 1 1 1 13 ASP H . 12 . HN 1 1
288 1 2 1 1 14 SER QB . 13 . HB# 1 1
289 1 1 1 1 13 ASP HA . 12 . HA 1 1
289 1 2 1 1 13 ASP QB . 12 . HB# 1 1
290 1 1 1 1 13 ASP HA . 12 . HA 1 1
290 1 2 1 1 14 SER H . 13 . HN 1 1
291 1 1 1 1 13 ASP HA . 12 . HA 1 1
291 1 2 1 1 14 SER HA . 13 . HA 1 1
292 1 1 1 1 13 ASP QB . 12 . HB# 1 1
292 1 2 1 1 14 SER H . 13 . HN 1 1
293 1 1 1 1 13 ASP QB . 12 . HB# 1 1
293 1 2 1 1 14 SER HA . 13 . HA 1 1
294 1 1 1 1 13 ASP QB . 12 . HB# 1 1
294 1 2 1 1 14 SER QB . 13 . HB# 1 1
295 1 1 1 1 14 SER H . 13 . HN 1 1
295 1 2 1 1 14 SER HA . 13 . HA 1 1
296 1 1 1 1 14 SER H . 13 . HN 1 1
296 1 2 1 1 14 SER QB . 13 . HB# 1 1
297 1 1 1 1 14 SER HA . 13 . HA 1 1
297 1 2 1 1 14 SER QB . 13 . HB# 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 0.0 -1.8 2.97698 1 1
2 1 . . . . . 0.0 -1.8 2.47533 1 1
3 1 . . . . . 0.0 -1.8 4.08511 1 1
4 1 . . . . . 0.0 -1.8 4.14051 1 1
5 1 . . . . . 0.0 -1.8 4.71699 1 1
6 1 . . . . . 0.0 -1.8 2.96827 1 1
7 1 . . . . . 0.0 -1.8 3.44508 1 1
8 1 . . . . . 0.0 -1.8 4.22397 1 1
9 1 . . . . . 0.0 -1.8 4.36906 1 1
10 1 . . . . . 0.0 -1.8 4.19702 1 1
11 1 . . . . . 0.0 -1.8 3.41421 1 1
12 1 . . . . . 0.0 -1.8 4.74022 1 1
13 1 . . . . . 0.0 -1.8 3.75075 1 1
14 1 . . . . . 0.0 -1.8 4.94267 1 1
15 1 . . . . . 0.0 -1.8 2.43962 1 1
16 1 . . . . . 0.0 -1.8 4.06878 1 1
17 1 . . . . . 0.0 -1.8 4.77763 1 1
18 1 . . . . . 0.0 -1.8 4.71226 1 1
19 1 . . . . . 0.0 -1.8 4.20746 1 1
20 1 . . . . . 0.0 -1.8 3.00822 1 1
21 1 . . . . . 0.0 -1.8 4.81111 1 1
22 1 . . . . . 0.0 -1.8 4.56578 1 1
23 1 . . . . . 0.0 -1.8 4.85734 1 1
24 1 . . . . . 0.0 -1.8 3.73443 1 1
25 1 . . . . . 0.0 -1.8 3.96571 1 1
26 1 . . . . . 0.0 -1.8 4.57414 1 1
27 1 . . . . . 0.0 -1.8 4.19867 1 1
28 1 . . . . . 0.0 -1.8 4.49845 1 1
29 1 . . . . . 0.0 -1.8 4.34971 1 1
30 1 . . . . . 0.0 -1.8 4.51617 1 1
31 1 . . . . . 0.0 -1.8 4.53279 1 1
32 1 . . . . . 0.0 -1.8 2.96413 1 1
33 1 . . . . . 0.0 -1.8 2.79483 1 1
34 1 . . . . . 0.0 -1.8 3.81638 1 1
35 1 . . . . . 0.0 -1.8 4.45791 1 1
36 1 . . . . . 0.0 -1.8 2.70037 1 1
37 1 . . . . . 0.0 -1.8 4.14654 1 1
38 1 . . . . . 0.0 -1.8 2.53963 1 1
39 1 . . . . . 0.0 -1.8 4.11588 1 1
40 1 . . . . . 0.0 -1.8 4.85168 1 1
41 1 . . . . . 0.0 -1.8 3.83267 1 1
42 1 . . . . . 0.0 -1.8 3.65819 1 1
43 1 . . . . . 0.0 -1.8 4.96319 1 1
44 1 . . . . . 0.0 -1.8 4.69681 1 1
45 1 . . . . . 0.0 -1.8 4.10142 1 1
46 1 . . . . . 0.0 -1.8 4.37489 1 1
47 1 . . . . . 0.0 -1.8 4.77276 1 1
48 1 . . . . . 0.0 -1.8 2.23803 1 1
49 1 . . . . . 0.0 -1.8 2.43375 1 1
50 1 . . . . . 0.0 -1.8 3.84502 1 1
51 1 . . . . . 0.0 -1.8 4.71405 1 1
52 1 . . . . . 0.0 -1.8 3.97202 1 1
53 1 . . . . . 0.0 -1.8 4.79156 1 1
54 1 . . . . . 0.0 -1.8 4.96982 1 1
55 1 . . . . . 0.0 -1.8 4.06127 1 1
56 1 . . . . . 0.0 -1.8 2.44238 1 1
57 1 . . . . . 0.0 -1.8 2.76767 1 1
58 1 . . . . . 0.0 -1.8 4.59702 1 1
59 1 . . . . . 0.0 -1.8 4.24883 1 1
60 1 . . . . . 0.0 -1.8 4.18202 1 1
61 1 . . . . . 0.0 -1.8 4.45726 1 1
62 1 . . . . . 0.0 -1.8 4.93706 1 1
63 1 . . . . . 0.0 -1.8 3.52869 1 1
64 1 . . . . . 0.0 -1.8 4.79106 1 1
65 1 . . . . . 0.0 -1.8 2.98592 1 1
66 1 . . . . . 0.0 -1.8 2.93885 1 1
67 1 . . . . . 0.0 -1.8 4.83108 1 1
68 1 . . . . . 0.0 -1.8 2.7656 1 1
69 1 . . . . . 0.0 -1.8 4.63879 1 1
70 1 . . . . . 0.0 -1.8 4.52476 1 1
71 1 . . . . . 0.0 -1.8 4.58111 1 1
72 1 . . . . . 0.0 -1.8 2.69646 1 1
73 1 . . . . . 0.0 -1.8 4.55567 1 1
74 1 . . . . . 0.0 -1.8 3.63833 1 1
75 1 . . . . . 0.0 -1.8 4.98544 1 1
76 1 . . . . . 0.0 -1.8 4.74697 1 1
77 1 . . . . . 0.0 -1.8 4.03546 1 1
78 1 . . . . . 0.0 -1.8 3.81504 1 1
79 1 . . . . . 0.0 -1.8 3.77915 1 1
80 1 . . . . . 0.0 -1.8 4.52214 1 1
81 1 . . . . . 0.0 -1.8 4.30606 1 1
82 1 . . . . . 0.0 -1.8 4.0045 1 1
83 1 . . . . . 0.0 -1.8 4.83964 1 1
84 1 . . . . . 0.0 -1.8 3.75404 1 1
85 1 . . . . . 0.0 -1.8 4.95591 1 1
86 1 . . . . . 0.0 -1.8 4.25563 1 1
87 1 . . . . . 0.0 -1.8 2.95668 1 1
88 1 . . . . . 0.0 -1.8 2.51606 1 1
89 1 . . . . . 0.0 -1.8 4.01668 1 1
90 1 . . . . . 0.0 -1.8 4.61139 1 1
91 1 . . . . . 0.0 -1.8 2.74259 1 1
92 1 . . . . . 0.0 -1.8 2.89679 1 1
93 1 . . . . . 0.0 -1.8 4.97132 1 1
94 1 . . . . . 0.0 -1.8 4.27637 1 1
95 1 . . . . . 0.0 -1.8 4.32004 1 1
96 1 . . . . . 0.0 -1.8 2.51093 1 1
97 1 . . . . . 0.0 -1.8 3.93667 1 1
98 1 . . . . . 0.0 -1.8 4.53792 1 1
99 1 . . . . . 0.0 -1.8 2.57945 1 1
100 1 . . . . . 0.0 -1.8 3.68976 1 1
101 1 . . . . . 0.0 -1.8 4.90914 1 1
102 1 . . . . . 0.0 -1.8 4.68201 1 1
103 1 . . . . . 0.0 -1.8 4.20479 1 1
104 1 . . . . . 0.0 -1.8 4.65629 1 1
105 1 . . . . . 0.0 -1.8 4.2347 1 1
106 1 . . . . . 0.0 -1.8 2.22087 1 1
107 1 . . . . . 0.0 -1.8 3.63399 1 1
108 1 . . . . . 0.0 -1.8 2.39558 1 1
109 1 . . . . . 0.0 -1.8 2.62738 1 1
110 1 . . . . . 0.0 -1.8 4.04119 1 1
111 1 . . . . . 0.0 -1.8 3.00971 1 1
112 1 . . . . . 0.0 -1.8 4.29116 1 1
113 1 . . . . . 0.0 -1.8 4.76217 1 1
114 1 . . . . . 0.0 -1.8 4.07282 1 1
115 1 . . . . . 0.0 -1.8 3.57434 1 1
116 1 . . . . . 0.0 -1.8 4.16271 1 1
117 1 . . . . . 0.0 -1.8 4.95263 1 1
118 1 . . . . . 0.0 -1.8 4.42152 1 1
119 1 . . . . . 0.0 -1.8 2.47062 1 1
120 1 . . . . . 0.0 -1.8 4.81547 1 1
121 1 . . . . . 0.0 -1.8 4.4161 1 1
122 1 . . . . . 0.0 -1.8 4.00968 1 1
123 1 . . . . . 0.0 -1.8 2.48605 1 1
124 1 . . . . . 0.0 -1.8 4.90716 1 1
125 1 . . . . . 0.0 -1.8 4.46747 1 1
126 1 . . . . . 0.0 -1.8 2.93527 1 1
127 1 . . . . . 0.0 -1.8 3.81851 1 1
128 1 . . . . . 0.0 -1.8 3.70788 1 1
129 1 . . . . . 0.0 -1.8 3.7142 1 1
130 1 . . . . . 0.0 -1.8 3.95429 1 1
131 1 . . . . . 0.0 -1.8 2.89596 1 1
132 1 . . . . . 0.0 -1.8 4.93894 1 1
133 1 . . . . . 0.0 -1.8 3.13786 1 1
134 1 . . . . . 0.0 -1.8 3.86868 1 1
135 1 . . . . . 0.0 -1.8 3.70437 1 1
136 1 . . . . . 0.0 -1.8 3.36008 1 1
137 1 . . . . . 0.0 -1.8 3.67063 1 1
138 1 . . . . . 0.0 -1.8 4.9911 1 1
139 1 . . . . . 0.0 -1.8 4.76829 1 1
140 1 . . . . . 0.0 -1.8 3.88155 1 1
141 1 . . . . . 0.0 -1.8 3.36247 1 1
142 1 . . . . . 0.0 -1.8 4.27453 1 1
143 1 . . . . . 0.0 -1.8 3.7937 1 1
144 1 . . . . . 0.0 -1.8 4.61139 1 1
145 1 . . . . . 0.0 -1.8 2.37905 1 1
146 1 . . . . . 0.0 -1.8 2.6975 1 1
147 1 . . . . . 0.0 -1.8 2.20554 1 1
148 1 . . . . . 0.0 -1.8 4.13133 1 1
149 1 . . . . . 0.0 -1.8 4.78598 1 1
150 1 . . . . . 0.0 -1.8 2.22162 1 1
151 1 . . . . . 0.0 -1.8 4.15733 1 1
152 1 . . . . . 0.0 -1.8 3.90157 1 1
153 1 . . . . . 0.0 -1.8 3.94738 1 1
154 1 . . . . . 0.0 -1.8 4.78624 1 1
155 1 . . . . . 0.0 -1.8 2.31986 1 1
156 1 . . . . . 0.0 -1.8 4.30854 1 1
157 1 . . . . . 0.0 -1.8 4.52574 1 1
158 1 . . . . . 0.0 -1.8 4.02737 1 1
159 1 . . . . . 0.0 -1.8 3.83207 1 1
160 1 . . . . . 0.0 -1.8 4.00866 1 1
161 1 . . . . . 0.0 -1.8 4.91701 1 1
162 1 . . . . . 0.0 -1.8 4.54251 1 1
163 1 . . . . . 0.0 -1.8 2.94582 1 1
164 1 . . . . . 0.0 -1.8 2.52895 1 1
165 1 . . . . . 0.0 -1.8 2.76711 1 1
166 1 . . . . . 0.0 -1.8 4.16672 1 1
167 1 . . . . . 0.0 -1.8 4.61689 1 1
168 1 . . . . . 0.0 -1.8 3.09563 1 1
169 1 . . . . . 0.0 -1.8 2.63714 1 1
170 1 . . . . . 0.0 -1.8 3.13163 1 1
171 1 . . . . . 0.0 -1.8 3.25315 1 1
172 1 . . . . . 0.0 -1.8 2.84436 1 1
173 1 . . . . . 0.0 -1.8 3.71907 1 1
174 1 . . . . . 0.0 -1.8 4.46064 1 1
175 1 . . . . . 0.0 -1.8 3.94317 1 1
176 1 . . . . . 0.0 -1.8 3.65152 1 1
177 1 . . . . . 0.0 -1.8 4.02199 1 1
178 1 . . . . . 0.0 -1.8 4.58558 1 1
179 1 . . . . . 0.0 -1.8 4.82283 1 1
180 1 . . . . . 0.0 -1.8 3.0927 1 1
181 1 . . . . . 0.0 -1.8 3.90829 1 1
182 1 . . . . . 0.0 -1.8 2.72594 1 1
183 1 . . . . . 0.0 -1.8 2.79322 1 1
184 1 . . . . . 0.0 -1.8 4.99334 1 1
185 1 . . . . . 0.0 -1.8 2.18154 1 1
186 1 . . . . . 0.0 -1.8 3.91252 1 1
187 1 . . . . . 0.0 -1.8 4.83764 1 1
188 1 . . . . . 0.0 -1.8 4.75245 1 1
189 1 . . . . . 0.0 -1.8 4.78268 1 1
190 1 . . . . . 0.0 -1.8 3.12175 1 1
191 1 . . . . . 0.0 -1.8 4.94959 1 1
192 1 . . . . . 0.0 -1.8 4.69809 1 1
193 1 . . . . . 0.0 -1.8 4.64037 1 1
194 1 . . . . . 0.0 -1.8 2.98527 1 1
195 1 . . . . . 0.0 -1.8 2.67758 1 1
196 1 . . . . . 0.0 -1.8 4.17951 1 1
197 1 . . . . . 0.0 -1.8 4.21358 1 1
198 1 . . . . . 0.0 -1.8 3.34393 1 1
199 1 . . . . . 0.0 -1.8 2.96156 1 1
200 1 . . . . . 0.0 -1.8 4.94043 1 1
201 1 . . . . . 0.0 -1.8 4.37565 1 1
202 1 . . . . . 0.0 -1.8 2.64375 1 1
203 1 . . . . . 0.0 -1.8 3.86731 1 1
204 1 . . . . . 0.0 -1.8 2.99606 1 1
205 1 . . . . . 0.0 -1.8 4.00763 1 1
206 1 . . . . . 0.0 -1.8 3.68289 1 1
207 1 . . . . . 0.0 -1.8 4.9108 1 1
208 1 . . . . . 0.0 -1.8 4.53509 1 1
209 1 . . . . . 0.0 -1.8 4.15981 1 1
210 1 . . . . . 0.0 -1.8 4.52767 1 1
211 1 . . . . . 0.0 -1.8 4.81818 1 1
212 1 . . . . . 0.0 -1.8 2.48434 1 1
213 1 . . . . . 0.0 -1.8 4.50278 1 1
214 1 . . . . . 0.0 -1.8 4.26824 1 1
215 1 . . . . . 0.0 -1.8 3.03267 1 1
216 1 . . . . . 0.0 -1.8 4.56123 1 1
217 1 . . . . . 0.0 -1.8 4.74582 1 1
218 1 . . . . . 0.0 -1.8 2.60017 1 1
219 1 . . . . . 0.0 -1.8 2.45958 1 1
220 1 . . . . . 0.0 -1.8 2.45415 1 1
221 1 . . . . . 0.0 -1.8 2.31306 1 1
222 1 . . . . . 0.0 -1.8 3.77356 1 1
223 1 . . . . . 0.0 -1.8 3.59342 1 1
224 1 . . . . . 0.0 -1.8 3.15186 1 1
225 1 . . . . . 0.0 -1.8 3.45045 1 1
226 1 . . . . . 0.0 -1.8 2.3612 1 1
227 1 . . . . . 0.0 -1.8 4.5548 1 1
228 1 . . . . . 0.0 -1.8 4.60496 1 1
229 1 . . . . . 0.0 -1.8 4.57144 1 1
230 1 . . . . . 0.0 -1.8 4.6443 1 1
231 1 . . . . . 0.0 -1.8 4.6258 1 1
232 1 . . . . . 0.0 -1.8 2.95651 1 1
233 1 . . . . . 0.0 -1.8 2.5324 1 1
234 1 . . . . . 0.0 -1.8 3.99208 1 1
235 1 . . . . . 0.0 -1.8 4.62659 1 1
236 1 . . . . . 0.0 -1.8 2.7394 1 1
237 1 . . . . . 0.0 -1.8 4.29519 1 1
238 1 . . . . . 0.0 -1.8 4.72129 1 1
239 1 . . . . . 0.0 -1.8 4.96435 1 1
240 1 . . . . . 0.0 -1.8 2.69462 1 1
241 1 . . . . . 0.0 -1.8 3.46291 1 1
242 1 . . . . . 0.0 -1.8 2.93864 1 1
243 1 . . . . . 0.0 -1.8 3.65109 1 1
244 1 . . . . . 0.0 -1.8 4.45027 1 1
245 1 . . . . . 0.0 -1.8 3.84156 1 1
246 1 . . . . . 0.0 -1.8 2.77513 1 1
247 1 . . . . . 0.0 -1.8 2.75206 1 1
248 1 . . . . . 0.0 -1.8 3.05715 1 1
249 1 . . . . . 0.0 -1.8 4.27806 1 1
250 1 . . . . . 0.0 -1.8 4.06979 1 1
251 1 . . . . . 0.0 -1.8 2.19507 1 1
252 1 . . . . . 0.0 -1.8 4.42695 1 1
253 1 . . . . . 0.0 -1.8 4.40703 1 1
254 1 . . . . . 0.0 -1.8 4.24868 1 1
255 1 . . . . . 0.0 -1.8 4.52757 1 1
256 1 . . . . . 0.0 -1.8 4.52103 1 1
257 1 . . . . . 0.0 -1.8 4.1728 1 1
258 1 . . . . . 0.0 -1.8 2.97086 1 1
259 1 . . . . . 0.0 -1.8 2.36773 1 1
260 1 . . . . . 0.0 -1.8 4.21814 1 1
261 1 . . . . . 0.0 -1.8 4.57853 1 1
262 1 . . . . . 0.0 -1.8 3.26457 1 1
263 1 . . . . . 0.0 -1.8 4.26451 1 1
264 1 . . . . . 0.0 -1.8 4.75652 1 1
265 1 . . . . . 0.0 -1.8 4.9939 1 1
266 1 . . . . . 0.0 -1.8 2.63201 1 1
267 1 . . . . . 0.0 -1.8 3.53725 1 1
268 1 . . . . . 0.0 -1.8 3.91685 1 1
269 1 . . . . . 0.0 -1.8 3.75314 1 1
270 1 . . . . . 0.0 -1.8 4.35888 1 1
271 1 . . . . . 0.0 -1.8 4.89036 1 1
272 1 . . . . . 0.0 -1.8 4.33071 1 1
273 1 . . . . . 0.0 -1.8 2.49599 1 1
274 1 . . . . . 0.0 -1.8 2.57206 1 1
275 1 . . . . . 0.0 -1.8 2.63133 1 1
276 1 . . . . . 0.0 -1.8 4.63986 1 1
277 1 . . . . . 0.0 -1.8 2.19864 1 1
278 1 . . . . . 0.0 -1.8 4.03884 1 1
279 1 . . . . . 0.0 -1.8 4.39544 1 1
280 1 . . . . . 0.0 -1.8 4.7942 1 1
281 1 . . . . . 0.0 -1.8 4.40286 1 1
282 1 . . . . . 0.0 -1.8 3.07906 1 1
283 1 . . . . . 0.0 -1.8 4.61714 1 1
284 1 . . . . . 0.0 -1.8 4.82062 1 1
285 1 . . . . . 0.0 -1.8 2.94465 1 1
286 1 . . . . . 0.0 -1.8 2.37757 1 1
287 1 . . . . . 0.0 -1.8 2.80627 1 1
288 1 . . . . . 0.0 -1.8 4.72551 1 1
289 1 . . . . . 0.0 -1.8 2.62838 1 1
290 1 . . . . . 0.0 -1.8 3.68535 1 1
291 1 . . . . . 0.0 -1.8 4.94138 1 1
292 1 . . . . . 0.0 -1.8 2.87856 1 1
293 1 . . . . . 0.0 -1.8 4.49893 1 1
294 1 . . . . . 0.0 -1.8 4.54186 1 1
295 1 . . . . . 0.0 -1.8 2.97945 1 1
296 1 . . . . . 0.0 -1.8 2.88789 1 1
297 1 . . . . . 0.0 -1.8 2.4958 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 ACE C C 8.117 2.917 -5.176 1.00 . A A . 0 ACE C 1 1
1 2 1 1 1 ACE CH3 C 9.608 2.851 -5.461 1.00 . A A . 0 ACE CH3 1 1
1 3 1 1 1 ACE H1 H 10.152 2.770 -4.531 1.00 . A A . 0 ACE H1 1 1
1 4 1 1 1 ACE H2 H 9.920 3.749 -5.978 1.00 . A A . 0 ACE H2 1 1
1 5 1 1 1 ACE H3 H 9.820 1.989 -6.076 1.00 . A A . 0 ACE H3 1 1
1 6 1 1 1 ACE O O 7.724 3.059 -4.002 1.00 . A A . 0 ACE O 1 1
1 7 1 1 2 GLU C C 5.183 1.639 -5.641 1.00 . A A . 1 GLU C 1 1
1 8 1 1 2 GLU CA C 5.824 2.912 -6.243 1.00 . A A . 1 GLU CA 1 1
1 9 1 1 2 GLU CB C 5.302 3.150 -7.673 1.00 . A A . 1 GLU CB 1 1
1 10 1 1 2 GLU CD C 3.717 5.098 -7.285 1.00 . A A . 1 GLU CD 1 1
1 11 1 1 2 GLU CG C 3.865 3.660 -7.754 1.00 . A A . 1 GLU CG 1 1
1 12 1 1 2 GLU H H 7.735 2.756 -7.163 1.00 . A A . 1 GLU H 1 1
1 13 1 1 2 GLU HA H 5.557 3.760 -5.630 1.00 . A A . 1 GLU HA 1 1
1 14 1 1 2 GLU HB2 H 5.944 3.877 -8.153 1.00 . A A . 1 GLU HB2 1 1
1 15 1 1 2 GLU HB3 H 5.361 2.221 -8.226 1.00 . A A . 1 GLU HB3 1 1
1 16 1 1 2 GLU HG2 H 3.540 3.611 -8.781 1.00 . A A . 1 GLU HG2 1 1
1 17 1 1 2 GLU HG3 H 3.233 3.035 -7.140 1.00 . A A . 1 GLU HG3 1 1
1 18 1 1 2 GLU N N 7.303 2.839 -6.281 1.00 . A A . 1 GLU N 1 1
1 19 1 1 2 GLU O O 3.939 1.574 -5.546 1.00 . A A . 1 GLU O 1 1
1 20 1 1 2 GLU OE1 O 4.020 5.375 -6.107 1.00 . A A . 1 GLU OE1 1 1
1 21 1 1 2 GLU OE2 O 3.302 5.949 -8.103 1.00 . A A . 1 GLU OE2 1 1
1 22 1 1 3 LYS C C 5.172 -0.542 -3.217 1.00 . A A . 2 LYS C 1 1
1 23 1 1 3 LYS CA C 5.632 -0.663 -4.682 1.00 . A A . 2 LYS CA 1 1
1 24 1 1 3 LYS CB C 6.769 -1.686 -4.796 1.00 . A A . 2 LYS CB 1 1
1 25 1 1 3 LYS CD C 7.476 -4.104 -4.860 1.00 . A A . 2 LYS CD 1 1
1 26 1 1 3 LYS CE C 7.012 -5.547 -4.811 1.00 . A A . 2 LYS CE 1 1
1 27 1 1 3 LYS CG C 6.310 -3.143 -4.707 1.00 . A A . 2 LYS CG 1 1
1 28 1 1 3 LYS H H 7.016 0.787 -5.385 1.00 . A A . 2 LYS H 1 1
1 29 1 1 3 LYS HA H 4.801 -1.013 -5.274 1.00 . A A . 2 LYS HA 1 1
1 30 1 1 3 LYS HB2 H 7.265 -1.544 -5.745 1.00 . A A . 2 LYS HB2 1 1
1 31 1 1 3 LYS HB3 H 7.482 -1.508 -3.998 1.00 . A A . 2 LYS HB3 1 1
1 32 1 1 3 LYS HD2 H 7.956 -3.927 -5.809 1.00 . A A . 2 LYS HD2 1 1
1 33 1 1 3 LYS HD3 H 8.179 -3.932 -4.060 1.00 . A A . 2 LYS HD3 1 1
1 34 1 1 3 LYS HE2 H 6.477 -5.708 -3.884 1.00 . A A . 2 LYS HE2 1 1
1 35 1 1 3 LYS HE3 H 6.343 -5.718 -5.639 1.00 . A A . 2 LYS HE3 1 1
1 36 1 1 3 LYS HG2 H 5.843 -3.311 -3.744 1.00 . A A . 2 LYS HG2 1 1
1 37 1 1 3 LYS HG3 H 5.597 -3.331 -5.495 1.00 . A A . 2 LYS HG3 1 1
1 38 1 1 3 LYS HZ1 H 8.689 -6.504 -4.003 1.00 . A A . 2 LYS HZ1 1 1
1 39 1 1 3 LYS HZ2 H 8.782 -6.248 -5.674 1.00 . A A . 2 LYS HZ2 1 1
1 40 1 1 3 LYS HZ3 H 7.785 -7.471 -5.064 1.00 . A A . 2 LYS HZ3 1 1
1 41 1 1 3 LYS N N 6.057 0.637 -5.258 1.00 . A A . 2 LYS N 1 1
1 42 1 1 3 LYS NZ N 8.146 -6.509 -4.892 1.00 . A A . 2 LYS NZ 1 1
1 43 1 1 3 LYS O O 4.230 -1.254 -2.809 1.00 . A A . 2 LYS O 1 1
1 44 1 1 4 HIS C C 4.258 1.316 -0.772 1.00 . A A . 3 HIS C 1 1
1 45 1 1 4 HIS CA C 5.595 0.600 -0.993 1.00 . A A . 3 HIS CA 1 1
1 46 1 1 4 HIS CB C 6.750 1.407 -0.375 1.00 . A A . 3 HIS CB 1 1
1 47 1 1 4 HIS CD2 C 7.865 0.914 1.924 1.00 . A A . 3 HIS CD2 1 1
1 48 1 1 4 HIS CE1 C 6.196 1.505 3.218 1.00 . A A . 3 HIS CE1 1 1
1 49 1 1 4 HIS CG C 6.848 1.322 1.120 1.00 . A A . 3 HIS CG 1 1
1 50 1 1 4 HIS H H 6.576 0.892 -2.839 1.00 . A A . 3 HIS H 1 1
1 51 1 1 4 HIS HA H 5.549 -0.367 -0.524 1.00 . A A . 3 HIS HA 1 1
1 52 1 1 4 HIS HB2 H 7.685 1.050 -0.778 1.00 . A A . 3 HIS HB2 1 1
1 53 1 1 4 HIS HB3 H 6.634 2.452 -0.646 1.00 . A A . 3 HIS HB3 1 1
1 54 1 1 4 HIS HD1 H 4.952 2.036 1.688 1.00 . A A . 3 HIS HD1 1 1
1 55 1 1 4 HIS HD2 H 8.841 0.566 1.610 1.00 . A A . 3 HIS HD2 1 1
1 56 1 1 4 HIS HE1 H 5.583 1.682 4.092 1.00 . A A . 3 HIS HE1 1 1
1 57 1 1 4 HIS HE2 H 7.985 0.886 4.024 1.00 . A A . 3 HIS HE2 1 1
1 58 1 1 4 HIS N N 5.857 0.383 -2.429 1.00 . A A . 3 HIS N 1 1
1 59 1 1 4 HIS ND1 N 5.821 1.687 1.963 1.00 . A A . 3 HIS ND1 1 1
1 60 1 1 4 HIS NE2 N 7.432 1.038 3.222 1.00 . A A . 3 HIS NE2 1 1
1 61 1 1 4 HIS O O 3.564 1.000 0.216 1.00 . A A . 3 HIS O 1 1
1 62 1 1 5 LYS C C 1.373 2.068 -1.894 1.00 . A A . 4 LYS C 1 1
1 63 1 1 5 LYS CA C 2.600 2.980 -1.719 1.00 . A A . 4 LYS CA 1 1
1 64 1 1 5 LYS CB C 2.606 4.068 -2.794 1.00 . A A . 4 LYS CB 1 1
1 65 1 1 5 LYS CD C 3.393 6.402 -3.372 1.00 . A A . 4 LYS CD 1 1
1 66 1 1 5 LYS CE C 4.410 7.496 -3.087 1.00 . A A . 4 LYS CE 1 1
1 67 1 1 5 LYS CG C 3.637 5.155 -2.525 1.00 . A A . 4 LYS CG 1 1
1 68 1 1 5 LYS H H 4.470 2.365 -2.513 1.00 . A A . 4 LYS H 1 1
1 69 1 1 5 LYS HA H 2.539 3.459 -0.750 1.00 . A A . 4 LYS HA 1 1
1 70 1 1 5 LYS HB2 H 2.833 3.618 -3.746 1.00 . A A . 4 LYS HB2 1 1
1 71 1 1 5 LYS HB3 H 1.620 4.525 -2.838 1.00 . A A . 4 LYS HB3 1 1
1 72 1 1 5 LYS HD2 H 3.464 6.142 -4.422 1.00 . A A . 4 LYS HD2 1 1
1 73 1 1 5 LYS HD3 H 2.404 6.780 -3.159 1.00 . A A . 4 LYS HD3 1 1
1 74 1 1 5 LYS HE2 H 5.403 7.109 -3.261 1.00 . A A . 4 LYS HE2 1 1
1 75 1 1 5 LYS HE3 H 4.226 8.313 -3.762 1.00 . A A . 4 LYS HE3 1 1
1 76 1 1 5 LYS HG2 H 3.591 5.425 -1.482 1.00 . A A . 4 LYS HG2 1 1
1 77 1 1 5 LYS HG3 H 4.617 4.764 -2.752 1.00 . A A . 4 LYS HG3 1 1
1 78 1 1 5 LYS HZ1 H 4.717 7.285 -1.034 1.00 . A A . 4 LYS HZ1 1 1
1 79 1 1 5 LYS HZ2 H 3.341 8.197 -1.426 1.00 . A A . 4 LYS HZ2 1 1
1 80 1 1 5 LYS HZ3 H 4.881 8.879 -1.585 1.00 . A A . 4 LYS HZ3 1 1
1 81 1 1 5 LYS N N 3.879 2.229 -1.745 1.00 . A A . 4 LYS N 1 1
1 82 1 1 5 LYS NZ N 4.331 7.997 -1.686 1.00 . A A . 4 LYS NZ 1 1
1 83 1 1 5 LYS O O 0.385 2.206 -1.135 1.00 . A A . 4 LYS O 1 1
1 84 1 1 6 ILE C C 0.072 -0.835 -2.085 1.00 . A A . 5 ILE C 1 1
1 85 1 1 6 ILE CA C 0.361 0.166 -3.239 1.00 . A A . 5 ILE CA 1 1
1 86 1 1 6 ILE CB C 0.635 -0.541 -4.643 1.00 . A A . 5 ILE CB 1 1
1 87 1 1 6 ILE CD1 C -1.619 -0.433 -5.882 1.00 . A A . 5 ILE CD1 1 1
1 88 1 1 6 ILE CG1 C -0.591 -1.308 -5.181 1.00 . A A . 5 ILE CG1 1 1
1 89 1 1 6 ILE CG2 C 1.867 -1.471 -4.648 1.00 . A A . 5 ILE CG2 1 1
1 90 1 1 6 ILE H H 2.288 1.074 -3.422 1.00 . A A . 5 ILE H 1 1
1 91 1 1 6 ILE HA H -0.528 0.773 -3.354 1.00 . A A . 5 ILE HA 1 1
1 92 1 1 6 ILE HB H 0.853 0.252 -5.346 1.00 . A A . 5 ILE HB 1 1
1 93 1 1 6 ILE HD11 H -1.111 0.313 -6.492 1.00 . A A . 5 ILE HD11 1 1
1 94 1 1 6 ILE HD12 H -2.229 0.067 -5.139 1.00 . A A . 5 ILE HD12 1 1
1 95 1 1 6 ILE HD13 H -2.243 -1.048 -6.500 1.00 . A A . 5 ILE HD13 1 1
1 96 1 1 6 ILE HG12 H -0.255 -2.052 -5.888 1.00 . A A . 5 ILE HG12 1 1
1 97 1 1 6 ILE HG13 H -1.081 -1.796 -4.352 1.00 . A A . 5 ILE HG13 1 1
1 98 1 1 6 ILE HG21 H 2.686 -0.989 -5.163 1.00 . A A . 5 ILE HG21 1 1
1 99 1 1 6 ILE HG22 H 1.622 -2.394 -5.158 1.00 . A A . 5 ILE HG22 1 1
1 100 1 1 6 ILE HG23 H 2.157 -1.693 -3.631 1.00 . A A . 5 ILE HG23 1 1
1 101 1 1 6 ILE N N 1.459 1.110 -2.897 1.00 . A A . 5 ILE N 1 1
1 102 1 1 6 ILE O O -1.119 -1.079 -1.792 1.00 . A A . 5 ILE O 1 1
1 103 1 1 7 LEU C C 0.355 -1.620 0.936 1.00 . A A . 6 LEU C 1 1
1 104 1 1 7 LEU CA C 1.065 -2.279 -0.252 1.00 . A A . 6 LEU CA 1 1
1 105 1 1 7 LEU CB C 2.483 -2.745 0.146 1.00 . A A . 6 LEU CB 1 1
1 106 1 1 7 LEU CD1 C 2.423 -5.276 0.375 1.00 . A A . 6 LEU CD1 1 1
1 107 1 1 7 LEU CD2 C 3.852 -3.921 1.909 1.00 . A A . 6 LEU CD2 1 1
1 108 1 1 7 LEU CG C 2.558 -3.948 1.112 1.00 . A A . 6 LEU CG 1 1
1 109 1 1 7 LEU H H 2.069 -1.053 -1.660 1.00 . A A . 6 LEU H 1 1
1 110 1 1 7 LEU HA H 0.492 -3.138 -0.570 1.00 . A A . 6 LEU HA 1 1
1 111 1 1 7 LEU HB2 H 3.014 -3.004 -0.756 1.00 . A A . 6 LEU HB2 1 1
1 112 1 1 7 LEU HB3 H 2.986 -1.910 0.605 1.00 . A A . 6 LEU HB3 1 1
1 113 1 1 7 LEU HD11 H 2.241 -6.064 1.092 1.00 . A A . 6 LEU HD11 1 1
1 114 1 1 7 LEU HD12 H 3.335 -5.484 -0.163 1.00 . A A . 6 LEU HD12 1 1
1 115 1 1 7 LEU HD13 H 1.600 -5.217 -0.319 1.00 . A A . 6 LEU HD13 1 1
1 116 1 1 7 LEU HD21 H 4.147 -2.902 2.092 1.00 . A A . 6 LEU HD21 1 1
1 117 1 1 7 LEU HD22 H 4.624 -4.426 1.350 1.00 . A A . 6 LEU HD22 1 1
1 118 1 1 7 LEU HD23 H 3.701 -4.424 2.851 1.00 . A A . 6 LEU HD23 1 1
1 119 1 1 7 LEU HG H 1.741 -3.881 1.813 1.00 . A A . 6 LEU HG 1 1
1 120 1 1 7 LEU N N 1.173 -1.339 -1.394 1.00 . A A . 6 LEU N 1 1
1 121 1 1 7 LEU O O -0.561 -2.222 1.517 1.00 . A A . 6 LEU O 1 1
1 122 1 1 8 . C C -1.331 0.589 2.295 1.00 . A A . 7 MK8 C 1 1
1 123 1 1 8 . CA C 0.256 0.454 2.441 1.00 . A A . 7 MK8 CA 1 1
1 124 1 1 8 . CB C 0.948 1.880 2.393 1.00 . A A . 7 MK8 CB 1 1
1 125 1 1 8 . CB1 C 0.715 -0.237 3.781 1.00 . A A . 7 MK8 CB1 1 1
1 126 1 1 8 . CD C -0.808 3.741 2.698 1.00 . A A . 7 MK8 CD 1 1
1 127 1 1 8 . CE C -1.746 4.597 3.598 1.00 . A A . 7 MK8 CE 1 1
1 128 1 1 8 . CG C 0.409 3.052 3.312 1.00 . A A . 7 MK8 CG 1 1
1 129 1 1 8 . HB H 0.905 2.219 1.364 1.00 . A A . 7 MK8 HB 1 1
1 130 1 1 8 . HB1 H -0.029 -0.956 4.088 1.00 . A A . 7 MK8 HB1 1 1
1 131 1 1 8 . HB1A H 0.812 0.510 4.546 1.00 . A A . 7 MK8 HB1A 1 1
1 132 1 1 8 . HB1B H 1.663 -0.739 3.635 1.00 . A A . 7 MK8 HB1B 1 1
1 133 1 1 8 . HBA H 1.988 1.747 2.651 1.00 . A A . 7 MK8 HBA 1 1
1 134 1 1 8 . HD H -1.394 2.976 2.236 1.00 . A A . 7 MK8 HD 1 1
1 135 1 1 8 . HDA H -0.449 4.404 1.932 1.00 . A A . 7 MK8 HDA 1 1
1 136 1 1 8 . HE H -1.792 5.649 3.357 1.00 . A A . 7 MK8 HE 1 1
1 137 1 1 8 . HG H 1.193 3.778 3.457 1.00 . A A . 7 MK8 HG 1 1
1 138 1 1 8 . HGA H 0.126 2.641 4.271 1.00 . A A . 7 MK8 HGA 1 1
1 139 1 1 8 . HN H 1.522 0.035 0.772 1.00 . A A . 7 MK8 HN 1 1
1 140 1 1 8 . N N 0.801 -0.355 1.300 1.00 . A A . 7 MK8 N 1 1
1 141 1 1 8 . O O -2.059 0.565 3.312 1.00 . A A . 7 MK8 O 1 1
1 142 1 1 9 ARG C C -4.143 -0.151 0.721 1.00 . A A . 8 ARG C 1 1
1 143 1 1 9 ARG CA C -3.260 1.097 0.696 1.00 . A A . 8 ARG CA 1 1
1 144 1 1 9 ARG CB C -3.399 1.747 -0.683 1.00 . A A . 8 ARG CB 1 1
1 145 1 1 9 ARG CD C -3.170 3.800 -2.119 1.00 . A A . 8 ARG CD 1 1
1 146 1 1 9 ARG CG C -2.821 3.152 -0.784 1.00 . A A . 8 ARG CG 1 1
1 147 1 1 9 ARG CZ C -2.660 5.950 -3.411 1.00 . A A . 8 ARG CZ 1 1
1 148 1 1 9 ARG H H -1.172 0.923 0.271 1.00 . A A . 8 ARG H 1 1
1 149 1 1 9 ARG HA H -3.631 1.787 1.441 1.00 . A A . 8 ARG HA 1 1
1 150 1 1 9 ARG HB2 H -2.888 1.129 -1.411 1.00 . A A . 8 ARG HB2 1 1
1 151 1 1 9 ARG HB3 H -4.450 1.790 -0.936 1.00 . A A . 8 ARG HB3 1 1
1 152 1 1 9 ARG HD2 H -2.865 3.137 -2.922 1.00 . A A . 8 ARG HD2 1 1
1 153 1 1 9 ARG HD3 H -4.241 3.937 -2.163 1.00 . A A . 8 ARG HD3 1 1
1 154 1 1 9 ARG HE H -1.923 5.424 -1.594 1.00 . A A . 8 ARG HE 1 1
1 155 1 1 9 ARG HG2 H -3.234 3.759 0.009 1.00 . A A . 8 ARG HG2 1 1
1 156 1 1 9 ARG HG3 H -1.747 3.099 -0.688 1.00 . A A . 8 ARG HG3 1 1
1 157 1 1 9 ARG HH11 H -3.935 4.769 -4.466 1.00 . A A . 8 ARG HH11 1 1
1 158 1 1 9 ARG HH12 H -3.514 6.269 -5.222 1.00 . A A . 8 ARG HH12 1 1
1 159 1 1 9 ARG HH21 H -1.409 7.341 -2.669 1.00 . A A . 8 ARG HH21 1 1
1 160 1 1 9 ARG HH22 H -2.067 7.697 -4.237 1.00 . A A . 8 ARG HH22 1 1
1 161 1 1 9 ARG N N -1.816 0.830 1.005 1.00 . A A . 8 ARG N 1 1
1 162 1 1 9 ARG NE N -2.515 5.120 -2.312 1.00 . A A . 8 ARG NE 1 1
1 163 1 1 9 ARG NH1 N -3.433 5.639 -4.457 1.00 . A A . 8 ARG NH1 1 1
1 164 1 1 9 ARG NH2 N -1.997 7.094 -3.439 1.00 . A A . 8 ARG NH2 1 1
1 165 1 1 9 ARG O O -5.328 -0.029 1.102 1.00 . A A . 8 ARG O 1 1
1 166 1 1 10 LEU C C -4.578 -3.130 1.670 1.00 . A A . 9 LEU C 1 1
1 167 1 1 10 LEU CA C -4.284 -2.627 0.250 1.00 . A A . 9 LEU CA 1 1
1 168 1 1 10 LEU CB C -3.459 -3.678 -0.522 1.00 . A A . 9 LEU CB 1 1
1 169 1 1 10 LEU CD1 C -4.912 -4.683 -2.332 1.00 . A A . 9 LEU CD1 1 1
1 170 1 1 10 LEU CD2 C -3.302 -6.132 -1.050 1.00 . A A . 9 LEU CD2 1 1
1 171 1 1 10 LEU CG C -4.233 -4.920 -0.979 1.00 . A A . 9 LEU CG 1 1
1 172 1 1 10 LEU H H -2.650 -1.313 -0.002 1.00 . A A . 9 LEU H 1 1
1 173 1 1 10 LEU HA H -5.211 -2.460 -0.268 1.00 . A A . 9 LEU HA 1 1
1 174 1 1 10 LEU HB2 H -3.042 -3.200 -1.396 1.00 . A A . 9 LEU HB2 1 1
1 175 1 1 10 LEU HB3 H -2.646 -3.998 0.104 1.00 . A A . 9 LEU HB3 1 1
1 176 1 1 10 LEU HD11 H -5.308 -5.618 -2.708 1.00 . A A . 9 LEU HD11 1 1
1 177 1 1 10 LEU HD12 H -4.186 -4.289 -3.035 1.00 . A A . 9 LEU HD12 1 1
1 178 1 1 10 LEU HD13 H -5.715 -3.972 -2.215 1.00 . A A . 9 LEU HD13 1 1
1 179 1 1 10 LEU HD21 H -2.731 -6.211 -0.135 1.00 . A A . 9 LEU HD21 1 1
1 180 1 1 10 LEU HD22 H -2.626 -6.019 -1.878 1.00 . A A . 9 LEU HD22 1 1
1 181 1 1 10 LEU HD23 H -3.888 -7.030 -1.178 1.00 . A A . 9 LEU HD23 1 1
1 182 1 1 10 LEU HG H -5.013 -5.138 -0.261 1.00 . A A . 9 LEU HG 1 1
1 183 1 1 10 LEU N N -3.564 -1.340 0.307 1.00 . A A . 9 LEU N 1 1
1 184 1 1 10 LEU O O -5.622 -3.778 1.877 1.00 . A A . 9 LEU O 1 1
1 185 1 1 11 LEU C C -4.702 -2.388 4.879 1.00 . A A . 10 LEU C 1 1
1 186 1 1 11 LEU CA C -3.702 -3.240 4.036 1.00 . A A . 10 LEU CA 1 1
1 187 1 1 11 LEU CB C -2.274 -3.225 4.641 1.00 . A A . 10 LEU CB 1 1
1 188 1 1 11 LEU CD1 C -1.945 -5.338 5.989 1.00 . A A . 10 LEU CD1 1 1
1 189 1 1 11 LEU CD2 C -0.890 -3.202 6.728 1.00 . A A . 10 LEU CD2 1 1
1 190 1 1 11 LEU CG C -2.095 -3.825 6.047 1.00 . A A . 10 LEU CG 1 1
1 191 1 1 11 LEU H H -2.823 -2.333 2.330 1.00 . A A . 10 LEU H 1 1
1 192 1 1 11 LEU HA H -4.061 -4.264 4.044 1.00 . A A . 10 LEU HA 1 1
1 193 1 1 11 LEU HB2 H -1.611 -3.771 3.968 1.00 . A A . 10 LEU HB2 1 1
1 194 1 1 11 LEU HB3 H -1.942 -2.196 4.666 1.00 . A A . 10 LEU HB3 1 1
1 195 1 1 11 LEU HD11 H -2.544 -5.727 5.179 1.00 . A A . 10 LEU HD11 1 1
1 196 1 1 11 LEU HD12 H -2.268 -5.768 6.925 1.00 . A A . 10 LEU HD12 1 1
1 197 1 1 11 LEU HD13 H -0.910 -5.592 5.818 1.00 . A A . 10 LEU HD13 1 1
1 198 1 1 11 LEU HD21 H -0.054 -3.193 6.043 1.00 . A A . 10 LEU HD21 1 1
1 199 1 1 11 LEU HD22 H -0.632 -3.771 7.608 1.00 . A A . 10 LEU HD22 1 1
1 200 1 1 11 LEU HD23 H -1.132 -2.195 7.010 1.00 . A A . 10 LEU HD23 1 1
1 201 1 1 11 LEU HG H -2.966 -3.595 6.644 1.00 . A A . 10 LEU HG 1 1
1 202 1 1 11 LEU N N -3.624 -2.828 2.618 1.00 . A A . 10 LEU N 1 1
1 203 1 1 11 LEU O O -5.764 -2.910 5.256 1.00 . A A . 10 LEU O 1 1
1 204 1 1 12 . C C -6.561 0.115 5.511 1.00 . A A . 11 MK8 C 1 1
1 205 1 1 12 . CA C -5.142 -0.138 6.094 1.00 . A A . 11 MK8 CA 1 1
1 206 1 1 12 . CB C -4.404 1.214 6.294 1.00 . A A . 11 MK8 CB 1 1
1 207 1 1 12 . CB1 C -5.287 -0.702 7.517 1.00 . A A . 11 MK8 CB1 1 1
1 208 1 1 12 . CD C -2.682 2.737 5.243 1.00 . A A . 11 MK8 CD 1 1
1 209 1 1 12 . CE C -2.536 4.180 4.661 1.00 . A A . 11 MK8 CE 1 1
1 210 1 1 12 . CG C -3.986 1.965 5.030 1.00 . A A . 11 MK8 CG 1 1
1 211 1 1 12 . HB H -3.513 1.034 6.883 1.00 . A A . 11 MK8 HB 1 1
1 212 1 1 12 . HB1 H -4.446 -0.386 8.121 1.00 . A A . 11 MK8 HB1 1 1
1 213 1 1 12 . HB1A H -5.314 -1.773 7.464 1.00 . A A . 11 MK8 HB1A 1 1
1 214 1 1 12 . HB1B H -6.207 -0.340 7.950 1.00 . A A . 11 MK8 HB1B 1 1
1 215 1 1 12 . HBA H -5.060 1.861 6.855 1.00 . A A . 11 MK8 HBA 1 1
1 216 1 1 12 . HD H -1.876 2.138 4.828 1.00 . A A . 11 MK8 HD 1 1
1 217 1 1 12 . HDA H -2.532 2.809 6.306 1.00 . A A . 11 MK8 HDA 1 1
1 218 1 1 12 . HE H -3.111 4.952 5.146 1.00 . A A . 11 MK8 HE 1 1
1 219 1 1 12 . HG H -4.758 2.659 4.754 1.00 . A A . 11 MK8 HG 1 1
1 220 1 1 12 . HGA H -3.838 1.252 4.234 1.00 . A A . 11 MK8 HGA 1 1
1 221 1 1 12 . HN H -3.459 -0.771 4.926 1.00 . A A . 11 MK8 HN 1 1
1 222 1 1 12 . N N -4.321 -1.084 5.229 1.00 . A A . 11 MK8 N 1 1
1 223 1 1 12 . O O -7.351 0.879 6.126 1.00 . A A . 11 MK8 O 1 1
1 224 1 1 13 ASP C C -9.284 -1.097 4.502 1.00 . A A . 12 ASP C 1 1
1 225 1 1 13 ASP CA C -8.187 -0.443 3.646 1.00 . A A . 12 ASP CA 1 1
1 226 1 1 13 ASP CB C -8.116 -1.099 2.264 1.00 . A A . 12 ASP CB 1 1
1 227 1 1 13 ASP CG C -9.382 -0.893 1.450 1.00 . A A . 12 ASP CG 1 1
1 228 1 1 13 ASP H H -6.189 -1.125 3.931 1.00 . A A . 12 ASP H 1 1
1 229 1 1 13 ASP HA H -8.416 0.606 3.526 1.00 . A A . 12 ASP HA 1 1
1 230 1 1 13 ASP HB2 H -7.297 -0.668 1.717 1.00 . A A . 12 ASP HB2 1 1
1 231 1 1 13 ASP HB3 H -7.945 -2.161 2.379 1.00 . A A . 12 ASP HB3 1 1
1 232 1 1 13 ASP N N -6.874 -0.547 4.330 1.00 . A A . 12 ASP N 1 1
1 233 1 1 13 ASP O O -10.424 -0.592 4.536 1.00 . A A . 12 ASP O 1 1
1 234 1 1 13 ASP OD1 O -9.697 0.272 1.144 1.00 . A A . 12 ASP OD1 1 1
1 235 1 1 13 ASP OD2 O -10.044 -1.901 1.127 1.00 . A A . 12 ASP OD2 1 1
1 236 1 1 14 SER C C -10.053 -2.243 7.382 1.00 . A A . 13 SER C 1 1
1 237 1 1 14 SER CA C -9.789 -3.003 6.087 1.00 . A A . 13 SER CA 1 1
1 238 1 1 14 SER CB C -9.193 -4.383 6.405 1.00 . A A . 13 SER CB 1 1
1 239 1 1 14 SER H H -7.964 -2.534 5.093 1.00 . A A . 13 SER H 1 1
1 240 1 1 14 SER HA H -10.724 -3.139 5.565 1.00 . A A . 13 SER HA 1 1
1 241 1 1 14 SER HB2 H -9.050 -4.941 5.490 1.00 . A A . 13 SER HB2 1 1
1 242 1 1 14 SER HB3 H -8.247 -4.249 6.896 1.00 . A A . 13 SER HB3 1 1
1 243 1 1 14 SER HG H -10.925 -5.165 6.883 1.00 . A A . 13 SER HG 1 1
1 244 1 1 14 SER N N -8.890 -2.230 5.200 1.00 . A A . 13 SER N 1 1
1 245 1 1 14 SER O O -11.196 -2.142 7.833 1.00 . A A . 13 SER O 1 1
1 246 1 1 14 SER OG O -10.047 -5.122 7.267 1.00 . A A . 13 SER OG 1 1
1 247 1 1 15 NH2 HN1 H -8.140 -1.682 7.479 1.00 . A A . 14 NH2 HN1 1 1
1 248 1 1 15 NH2 HN2 H -9.157 -1.117 8.769 1.00 . A A . 14 NH2 HN2 1 1
1 249 1 1 15 NH2 N N -9.012 -1.619 7.928 1.00 . A A . 14 NH2 N 1 1
2 250 1 1 1 ACE C C 8.301 2.580 -5.179 1.00 . A A . 0 ACE C 1 1
2 251 1 1 1 ACE CH3 C 9.783 2.396 -5.485 1.00 . A A . 0 ACE CH3 1 1
2 252 1 1 1 ACE H1 H 9.902 2.060 -6.508 1.00 . A A . 0 ACE H1 1 1
2 253 1 1 1 ACE H2 H 10.202 1.658 -4.818 1.00 . A A . 0 ACE H2 1 1
2 254 1 1 1 ACE H3 H 10.299 3.332 -5.356 1.00 . A A . 0 ACE H3 1 1
2 255 1 1 1 ACE O O 7.924 2.748 -4.003 1.00 . A A . 0 ACE O 1 1
2 256 1 1 2 GLU C C 5.269 1.535 -5.615 1.00 . A A . 1 GLU C 1 1
2 257 1 1 2 GLU CA C 6.001 2.743 -6.229 1.00 . A A . 1 GLU CA 1 1
2 258 1 1 2 GLU CB C 5.468 3.014 -7.647 1.00 . A A . 1 GLU CB 1 1
2 259 1 1 2 GLU CD C 4.092 5.116 -7.247 1.00 . A A . 1 GLU CD 1 1
2 260 1 1 2 GLU CG C 4.089 3.669 -7.704 1.00 . A A . 1 GLU CG 1 1
2 261 1 1 2 GLU H H 7.884 2.438 -7.161 1.00 . A A . 1 GLU H 1 1
2 262 1 1 2 GLU HA H 5.804 3.612 -5.625 1.00 . A A . 1 GLU HA 1 1
2 263 1 1 2 GLU HB2 H 6.162 3.658 -8.152 1.00 . A A . 1 GLU HB2 1 1
2 264 1 1 2 GLU HB3 H 5.410 2.082 -8.182 1.00 . A A . 1 GLU HB3 1 1
2 265 1 1 2 GLU HG2 H 3.735 3.635 -8.725 1.00 . A A . 1 GLU HG2 1 1
2 266 1 1 2 GLU HG3 H 3.413 3.114 -7.079 1.00 . A A . 1 GLU HG3 1 1
2 267 1 1 2 GLU N N 7.471 2.559 -6.281 1.00 . A A . 1 GLU N 1 1
2 268 1 1 2 GLU O O 4.030 1.588 -5.484 1.00 . A A . 1 GLU O 1 1
2 269 1 1 2 GLU OE1 O 4.485 5.376 -6.091 1.00 . A A . 1 GLU OE1 1 1
2 270 1 1 2 GLU OE2 O 3.701 5.988 -8.048 1.00 . A A . 1 GLU OE2 1 1
2 271 1 1 3 LYS C C 5.102 -0.676 -3.208 1.00 . A A . 2 LYS C 1 1
2 272 1 1 3 LYS CA C 5.525 -0.816 -4.693 1.00 . A A . 2 LYS CA 1 1
2 273 1 1 3 LYS CB C 6.576 -1.939 -4.849 1.00 . A A . 2 LYS CB 1 1
2 274 1 1 3 LYS CD C 7.094 -4.418 -4.863 1.00 . A A . 2 LYS CD 1 1
2 275 1 1 3 LYS CE C 6.522 -5.821 -4.722 1.00 . A A . 2 LYS CE 1 1
2 276 1 1 3 LYS CG C 6.007 -3.358 -4.715 1.00 . A A . 2 LYS CG 1 1
2 277 1 1 3 LYS H H 7.011 0.501 -5.423 1.00 . A A . 2 LYS H 1 1
2 278 1 1 3 LYS HA H 4.655 -1.084 -5.266 1.00 . A A . 2 LYS HA 1 1
2 279 1 1 3 LYS HB2 H 7.034 -1.849 -5.820 1.00 . A A . 2 LYS HB2 1 1
2 280 1 1 3 LYS HB3 H 7.340 -1.810 -4.088 1.00 . A A . 2 LYS HB3 1 1
2 281 1 1 3 LYS HD2 H 7.554 -4.325 -5.831 1.00 . A A . 2 LYS HD2 1 1
2 282 1 1 3 LYS HD3 H 7.838 -4.269 -4.091 1.00 . A A . 2 LYS HD3 1 1
2 283 1 1 3 LYS HE2 H 5.740 -5.958 -5.449 1.00 . A A . 2 LYS HE2 1 1
2 284 1 1 3 LYS HE3 H 7.315 -6.534 -4.908 1.00 . A A . 2 LYS HE3 1 1
2 285 1 1 3 LYS HG2 H 5.553 -3.452 -3.743 1.00 . A A . 2 LYS HG2 1 1
2 286 1 1 3 LYS HG3 H 5.255 -3.520 -5.482 1.00 . A A . 2 LYS HG3 1 1
2 287 1 1 3 LYS HZ1 H 5.307 -6.857 -3.376 1.00 . A A . 2 LYS HZ1 1 1
2 288 1 1 3 LYS HZ2 H 5.478 -5.213 -3.021 1.00 . A A . 2 LYS HZ2 1 1
2 289 1 1 3 LYS HZ3 H 6.746 -6.286 -2.692 1.00 . A A . 2 LYS HZ3 1 1
2 290 1 1 3 LYS N N 6.051 0.449 -5.267 1.00 . A A . 2 LYS N 1 1
2 291 1 1 3 LYS NZ N 5.973 -6.063 -3.356 1.00 . A A . 2 LYS NZ 1 1
2 292 1 1 3 LYS O O 4.125 -1.336 -2.785 1.00 . A A . 2 LYS O 1 1
2 293 1 1 4 HIS C C 4.324 1.221 -0.753 1.00 . A A . 3 HIS C 1 1
2 294 1 1 4 HIS CA C 5.609 0.439 -0.983 1.00 . A A . 3 HIS CA 1 1
2 295 1 1 4 HIS CB C 6.826 1.176 -0.379 1.00 . A A . 3 HIS CB 1 1
2 296 1 1 4 HIS CD2 C 7.896 0.593 1.918 1.00 . A A . 3 HIS CD2 1 1
2 297 1 1 4 HIS CE1 C 6.339 1.422 3.221 1.00 . A A . 3 HIS CE1 1 1
2 298 1 1 4 HIS CG C 6.933 1.119 1.120 1.00 . A A . 3 HIS CG 1 1
2 299 1 1 4 HIS H H 6.576 0.692 -2.865 1.00 . A A . 3 HIS H 1 1
2 300 1 1 4 HIS HA H 5.504 -0.525 -0.508 1.00 . A A . 3 HIS HA 1 1
2 301 1 1 4 HIS HB2 H 7.727 0.743 -0.784 1.00 . A A . 3 HIS HB2 1 1
2 302 1 1 4 HIS HB3 H 6.788 2.215 -0.668 1.00 . A A . 3 HIS HB3 1 1
2 303 1 1 4 HIS HD1 H 5.138 2.090 1.698 1.00 . A A . 3 HIS HD1 1 1
2 304 1 1 4 HIS HD2 H 8.799 0.075 1.594 1.00 . A A . 3 HIS HD2 1 1
2 305 1 1 4 HIS HE1 H 5.781 1.704 4.103 1.00 . A A . 3 HIS HE1 1 1
2 306 1 1 4 HIS HE2 H 8.000 0.526 4.006 1.00 . A A . 3 HIS HE2 1 1
2 307 1 1 4 HIS N N 5.842 0.210 -2.437 1.00 . A A . 3 HIS N 1 1
2 308 1 1 4 HIS ND1 N 5.969 1.633 1.970 1.00 . A A . 3 HIS ND1 1 1
2 309 1 1 4 HIS NE2 N 7.501 0.797 3.212 1.00 . A A . 3 HIS NE2 1 1
2 310 1 1 4 HIS O O 3.633 0.942 0.245 1.00 . A A . 3 HIS O 1 1
2 311 1 1 5 LYS C C 1.463 2.097 -1.874 1.00 . A A . 4 LYS C 1 1
2 312 1 1 5 LYS CA C 2.740 2.946 -1.699 1.00 . A A . 4 LYS CA 1 1
2 313 1 1 5 LYS CB C 2.804 4.065 -2.746 1.00 . A A . 4 LYS CB 1 1
2 314 1 1 5 LYS CD C 3.798 6.310 -3.352 1.00 . A A . 4 LYS CD 1 1
2 315 1 1 5 LYS CE C 4.935 7.280 -3.093 1.00 . A A . 4 LYS CE 1 1
2 316 1 1 5 LYS CG C 3.931 5.063 -2.493 1.00 . A A . 4 LYS CG 1 1
2 317 1 1 5 LYS H H 4.568 2.222 -2.505 1.00 . A A . 4 LYS H 1 1
2 318 1 1 5 LYS HA H 2.692 3.402 -0.729 1.00 . A A . 4 LYS HA 1 1
2 319 1 1 5 LYS HB2 H 2.951 3.621 -3.716 1.00 . A A . 4 LYS HB2 1 1
2 320 1 1 5 LYS HB3 H 1.868 4.606 -2.744 1.00 . A A . 4 LYS HB3 1 1
2 321 1 1 5 LYS HD2 H 3.815 6.019 -4.395 1.00 . A A . 4 LYS HD2 1 1
2 322 1 1 5 LYS HD3 H 2.861 6.800 -3.122 1.00 . A A . 4 LYS HD3 1 1
2 323 1 1 5 LYS HE2 H 4.917 7.582 -2.055 1.00 . A A . 4 LYS HE2 1 1
2 324 1 1 5 LYS HE3 H 5.867 6.788 -3.308 1.00 . A A . 4 LYS HE3 1 1
2 325 1 1 5 LYS HG2 H 3.917 5.354 -1.454 1.00 . A A . 4 LYS HG2 1 1
2 326 1 1 5 LYS HG3 H 4.874 4.584 -2.719 1.00 . A A . 4 LYS HG3 1 1
2 327 1 1 5 LYS HZ1 H 5.746 8.720 -4.362 1.00 . A A . 4 LYS HZ1 1 1
2 328 1 1 5 LYS HZ2 H 4.497 9.304 -3.382 1.00 . A A . 4 LYS HZ2 1 1
2 329 1 1 5 LYS HZ3 H 4.140 8.321 -4.717 1.00 . A A . 4 LYS HZ3 1 1
2 330 1 1 5 LYS N N 3.980 2.132 -1.729 1.00 . A A . 4 LYS N 1 1
2 331 1 1 5 LYS NZ N 4.819 8.491 -3.948 1.00 . A A . 4 LYS NZ 1 1
2 332 1 1 5 LYS O O 0.492 2.279 -1.099 1.00 . A A . 4 LYS O 1 1
2 333 1 1 6 ILE C C 0.002 -0.722 -2.086 1.00 . A A . 5 ILE C 1 1
2 334 1 1 6 ILE CA C 0.328 0.277 -3.229 1.00 . A A . 5 ILE CA 1 1
2 335 1 1 6 ILE CB C 0.529 -0.425 -4.648 1.00 . A A . 5 ILE CB 1 1
2 336 1 1 6 ILE CD1 C -1.760 -0.179 -5.815 1.00 . A A . 5 ILE CD1 1 1
2 337 1 1 6 ILE CG1 C -0.755 -1.123 -5.173 1.00 . A A . 5 ILE CG1 1 1
2 338 1 1 6 ILE CG2 C 1.714 -1.408 -4.695 1.00 . A A . 5 ILE CG2 1 1
2 339 1 1 6 ILE H H 2.289 1.062 -3.437 1.00 . A A . 5 ILE H 1 1
2 340 1 1 6 ILE HA H -0.516 0.953 -3.316 1.00 . A A . 5 ILE HA 1 1
2 341 1 1 6 ILE HB H 0.777 0.366 -5.344 1.00 . A A . 5 ILE HB 1 1
2 342 1 1 6 ILE HD11 H -1.492 -0.027 -6.846 1.00 . A A . 5 ILE HD11 1 1
2 343 1 1 6 ILE HD12 H -1.749 0.769 -5.291 1.00 . A A . 5 ILE HD12 1 1
2 344 1 1 6 ILE HD13 H -2.743 -0.618 -5.762 1.00 . A A . 5 ILE HD13 1 1
2 345 1 1 6 ILE HG12 H -0.475 -1.855 -5.919 1.00 . A A . 5 ILE HG12 1 1
2 346 1 1 6 ILE HG13 H -1.253 -1.626 -4.358 1.00 . A A . 5 ILE HG13 1 1
2 347 1 1 6 ILE HG21 H 2.244 -1.389 -3.754 1.00 . A A . 5 ILE HG21 1 1
2 348 1 1 6 ILE HG22 H 2.386 -1.127 -5.490 1.00 . A A . 5 ILE HG22 1 1
2 349 1 1 6 ILE HG23 H 1.340 -2.409 -4.880 1.00 . A A . 5 ILE HG23 1 1
2 350 1 1 6 ILE N N 1.483 1.149 -2.893 1.00 . A A . 5 ILE N 1 1
2 351 1 1 6 ILE O O -1.200 -0.939 -1.808 1.00 . A A . 5 ILE O 1 1
2 352 1 1 7 LEU C C 0.255 -1.554 0.914 1.00 . A A . 6 LEU C 1 1
2 353 1 1 7 LEU CA C 0.936 -2.233 -0.282 1.00 . A A . 6 LEU CA 1 1
2 354 1 1 7 LEU CB C 2.322 -2.769 0.131 1.00 . A A . 6 LEU CB 1 1
2 355 1 1 7 LEU CD1 C 2.238 -5.293 0.214 1.00 . A A . 6 LEU CD1 1 1
2 356 1 1 7 LEU CD2 C 3.611 -4.020 1.887 1.00 . A A . 6 LEU CD2 1 1
2 357 1 1 7 LEU CG C 2.342 -4.011 1.036 1.00 . A A . 6 LEU CG 1 1
2 358 1 1 7 LEU H H 1.983 -1.022 -1.682 1.00 . A A . 6 LEU H 1 1
2 359 1 1 7 LEU HA H 0.310 -3.048 -0.623 1.00 . A A . 6 LEU HA 1 1
2 360 1 1 7 LEU HB2 H 2.862 -3.009 -0.766 1.00 . A A . 6 LEU HB2 1 1
2 361 1 1 7 LEU HB3 H 2.846 -1.977 0.648 1.00 . A A . 6 LEU HB3 1 1
2 362 1 1 7 LEU HD11 H 2.976 -5.278 -0.573 1.00 . A A . 6 LEU HD11 1 1
2 363 1 1 7 LEU HD12 H 1.249 -5.372 -0.225 1.00 . A A . 6 LEU HD12 1 1
2 364 1 1 7 LEU HD13 H 2.418 -6.142 0.853 1.00 . A A . 6 LEU HD13 1 1
2 365 1 1 7 LEU HD21 H 4.358 -4.637 1.405 1.00 . A A . 6 LEU HD21 1 1
2 366 1 1 7 LEU HD22 H 3.391 -4.422 2.865 1.00 . A A . 6 LEU HD22 1 1
2 367 1 1 7 LEU HD23 H 3.988 -3.012 1.986 1.00 . A A . 6 LEU HD23 1 1
2 368 1 1 7 LEU HG H 1.495 -3.977 1.694 1.00 . A A . 6 LEU HG 1 1
2 369 1 1 7 LEU N N 1.079 -1.277 -1.408 1.00 . A A . 6 LEU N 1 1
2 370 1 1 7 LEU O O -0.765 -2.052 1.412 1.00 . A A . 6 LEU O 1 1
2 371 1 1 8 . C C -1.253 0.712 2.337 1.00 . A A . 7 MK8 C 1 1
2 372 1 1 8 . CA C 0.322 0.440 2.521 1.00 . A A . 7 MK8 CA 1 1
2 373 1 1 8 . CB C 1.162 1.794 2.598 1.00 . A A . 7 MK8 CB 1 1
2 374 1 1 8 . CB1 C 0.663 -0.332 3.832 1.00 . A A . 7 MK8 CB1 1 1
2 375 1 1 8 . CD C 0.275 2.825 4.875 1.00 . A A . 7 MK8 CD 1 1
2 376 1 1 8 . CE C -0.560 3.909 5.641 1.00 . A A . 7 MK8 CE 1 1
2 377 1 1 8 . CG C 0.616 3.059 3.379 1.00 . A A . 7 MK8 CG 1 1
2 378 1 1 8 . HB H 1.367 2.104 1.571 1.00 . A A . 7 MK8 HB 1 1
2 379 1 1 8 . HB1 H 0.388 0.281 4.679 1.00 . A A . 7 MK8 HB1 1 1
2 380 1 1 8 . HB1A H 1.718 -0.542 3.867 1.00 . A A . 7 MK8 HB1A 1 1
2 381 1 1 8 . HB1B H 0.114 -1.264 3.864 1.00 . A A . 7 MK8 HB1B 1 1
2 382 1 1 8 . HBA H 2.106 1.557 3.062 1.00 . A A . 7 MK8 HBA 1 1
2 383 1 1 8 . HD H 1.202 2.694 5.396 1.00 . A A . 7 MK8 HD 1 1
2 384 1 1 8 . HDA H -0.261 1.899 4.946 1.00 . A A . 7 MK8 HDA 1 1
2 385 1 1 8 . HE H -0.082 4.873 5.802 1.00 . A A . 7 MK8 HE 1 1
2 386 1 1 8 . HG H -0.269 3.413 2.872 1.00 . A A . 7 MK8 HG 1 1
2 387 1 1 8 . HGA H 1.365 3.825 3.327 1.00 . A A . 7 MK8 HGA 1 1
2 388 1 1 8 . HN H 1.625 -0.072 0.890 1.00 . A A . 7 MK8 HN 1 1
2 389 1 1 8 . N N 0.837 -0.379 1.366 1.00 . A A . 7 MK8 N 1 1
2 390 1 1 8 . O O -2.003 0.761 3.346 1.00 . A A . 7 MK8 O 1 1
2 391 1 1 9 ARG C C -4.114 0.232 0.743 1.00 . A A . 8 ARG C 1 1
2 392 1 1 9 ARG CA C -3.115 1.384 0.711 1.00 . A A . 8 ARG CA 1 1
2 393 1 1 9 ARG CB C -3.171 2.068 -0.652 1.00 . A A . 8 ARG CB 1 1
2 394 1 1 9 ARG CD C -2.742 4.131 -1.993 1.00 . A A . 8 ARG CD 1 1
2 395 1 1 9 ARG CG C -2.439 3.391 -0.699 1.00 . A A . 8 ARG CG 1 1
2 396 1 1 9 ARG CZ C -2.086 6.307 -3.167 1.00 . A A . 8 ARG CZ 1 1
2 397 1 1 9 ARG H H -1.046 1.036 0.329 1.00 . A A . 8 ARG H 1 1
2 398 1 1 9 ARG HA H -3.422 2.110 1.451 1.00 . A A . 8 ARG HA 1 1
2 399 1 1 9 ARG HB2 H -2.731 1.408 -1.385 1.00 . A A . 8 ARG HB2 1 1
2 400 1 1 9 ARG HB3 H -4.209 2.247 -0.910 1.00 . A A . 8 ARG HB3 1 1
2 401 1 1 9 ARG HD2 H -2.458 3.507 -2.831 1.00 . A A . 8 ARG HD2 1 1
2 402 1 1 9 ARG HD3 H -3.805 4.308 -2.031 1.00 . A A . 8 ARG HD3 1 1
2 403 1 1 9 ARG HE H -1.455 5.658 -1.357 1.00 . A A . 8 ARG HE 1 1
2 404 1 1 9 ARG HG2 H -2.764 3.992 0.134 1.00 . A A . 8 ARG HG2 1 1
2 405 1 1 9 ARG HG3 H -1.378 3.210 -0.637 1.00 . A A . 8 ARG HG3 1 1
2 406 1 1 9 ARG HH11 H -3.365 5.252 -4.325 1.00 . A A . 8 ARG HH11 1 1
2 407 1 1 9 ARG HH12 H -2.840 6.762 -4.995 1.00 . A A . 8 ARG HH12 1 1
2 408 1 1 9 ARG HH21 H -0.771 7.573 -2.321 1.00 . A A . 8 ARG HH21 1 1
2 409 1 1 9 ARG HH22 H -1.369 8.063 -3.869 1.00 . A A . 8 ARG HH22 1 1
2 410 1 1 9 ARG N N -1.703 0.989 1.043 1.00 . A A . 8 ARG N 1 1
2 411 1 1 9 ARG NE N -2.032 5.421 -2.104 1.00 . A A . 8 ARG NE 1 1
2 412 1 1 9 ARG NH1 N -2.826 6.088 -4.254 1.00 . A A . 8 ARG NH1 1 1
2 413 1 1 9 ARG NH2 N -1.349 7.402 -3.114 1.00 . A A . 8 ARG NH2 1 1
2 414 1 1 9 ARG O O -5.276 0.478 1.138 1.00 . A A . 8 ARG O 1 1
2 415 1 1 10 LEU C C -4.776 -2.682 1.746 1.00 . A A . 9 LEU C 1 1
2 416 1 1 10 LEU CA C -4.496 -2.224 0.305 1.00 . A A . 9 LEU CA 1 1
2 417 1 1 10 LEU CB C -3.791 -3.348 -0.495 1.00 . A A . 9 LEU CB 1 1
2 418 1 1 10 LEU CD1 C -5.521 -4.346 -2.073 1.00 . A A . 9 LEU CD1 1 1
2 419 1 1 10 LEU CD2 C -3.766 -5.814 -1.033 1.00 . A A . 9 LEU CD2 1 1
2 420 1 1 10 LEU CG C -4.653 -4.587 -0.838 1.00 . A A . 9 LEU CG 1 1
2 421 1 1 10 LEU H H -2.740 -1.082 0.010 1.00 . A A . 9 LEU H 1 1
2 422 1 1 10 LEU HA H -5.431 -1.978 -0.184 1.00 . A A . 9 LEU HA 1 1
2 423 1 1 10 LEU HB2 H -3.421 -2.922 -1.418 1.00 . A A . 9 LEU HB2 1 1
2 424 1 1 10 LEU HB3 H -2.941 -3.684 0.082 1.00 . A A . 9 LEU HB3 1 1
2 425 1 1 10 LEU HD11 H -5.963 -3.359 -2.015 1.00 . A A . 9 LEU HD11 1 1
2 426 1 1 10 LEU HD12 H -6.304 -5.090 -2.113 1.00 . A A . 9 LEU HD12 1 1
2 427 1 1 10 LEU HD13 H -4.912 -4.418 -2.959 1.00 . A A . 9 LEU HD13 1 1
2 428 1 1 10 LEU HD21 H -2.992 -5.834 -0.275 1.00 . A A . 9 LEU HD21 1 1
2 429 1 1 10 LEU HD22 H -3.305 -5.768 -2.009 1.00 . A A . 9 LEU HD22 1 1
2 430 1 1 10 LEU HD23 H -4.371 -6.709 -0.957 1.00 . A A . 9 LEU HD23 1 1
2 431 1 1 10 LEU HG H -5.311 -4.791 -0.006 1.00 . A A . 9 LEU HG 1 1
2 432 1 1 10 LEU N N -3.658 -1.009 0.328 1.00 . A A . 9 LEU N 1 1
2 433 1 1 10 LEU O O -5.805 -3.332 2.000 1.00 . A A . 9 LEU O 1 1
2 434 1 1 11 LEU C C -4.853 -1.798 4.892 1.00 . A A . 10 LEU C 1 1
2 435 1 1 11 LEU CA C -3.850 -2.675 4.098 1.00 . A A . 10 LEU CA 1 1
2 436 1 1 11 LEU CB C -2.433 -2.533 4.701 1.00 . A A . 10 LEU CB 1 1
2 437 1 1 11 LEU CD1 C -1.903 -4.627 6.021 1.00 . A A . 10 LEU CD1 1 1
2 438 1 1 11 LEU CD2 C -1.093 -2.406 6.848 1.00 . A A . 10 LEU CD2 1 1
2 439 1 1 11 LEU CG C -2.203 -3.140 6.105 1.00 . A A . 10 LEU CG 1 1
2 440 1 1 11 LEU H H -3.019 -1.863 2.321 1.00 . A A . 10 LEU H 1 1
2 441 1 1 11 LEU HA H -4.161 -3.713 4.173 1.00 . A A . 10 LEU HA 1 1
2 442 1 1 11 LEU HB2 H -1.732 -2.995 4.018 1.00 . A A . 10 LEU HB2 1 1
2 443 1 1 11 LEU HB3 H -2.203 -1.475 4.758 1.00 . A A . 10 LEU HB3 1 1
2 444 1 1 11 LEU HD11 H -0.968 -4.830 6.519 1.00 . A A . 10 LEU HD11 1 1
2 445 1 1 11 LEU HD12 H -1.831 -4.926 4.985 1.00 . A A . 10 LEU HD12 1 1
2 446 1 1 11 LEU HD13 H -2.691 -5.179 6.508 1.00 . A A . 10 LEU HD13 1 1
2 447 1 1 11 LEU HD21 H -0.210 -3.024 6.895 1.00 . A A . 10 LEU HD21 1 1
2 448 1 1 11 LEU HD22 H -1.424 -2.172 7.851 1.00 . A A . 10 LEU HD22 1 1
2 449 1 1 11 LEU HD23 H -0.862 -1.495 6.320 1.00 . A A . 10 LEU HD23 1 1
2 450 1 1 11 LEU HG H -3.106 -3.032 6.680 1.00 . A A . 10 LEU HG 1 1
2 451 1 1 11 LEU N N -3.810 -2.332 2.658 1.00 . A A . 10 LEU N 1 1
2 452 1 1 11 LEU O O -5.791 -2.358 5.488 1.00 . A A . 10 LEU O 1 1
2 453 1 1 12 . C C -7.007 0.317 5.416 1.00 . A A . 11 MK8 C 1 1
2 454 1 1 12 . CA C -5.490 0.559 5.718 1.00 . A A . 11 MK8 CA 1 1
2 455 1 1 12 . CB C -5.228 2.053 5.353 1.00 . A A . 11 MK8 CB 1 1
2 456 1 1 12 . CB1 C -5.180 0.392 7.216 1.00 . A A . 11 MK8 CB1 1 1
2 457 1 1 12 . CD C -2.800 2.547 6.083 1.00 . A A . 11 MK8 CD 1 1
2 458 1 1 12 . CE C -1.840 3.784 6.145 1.00 . A A . 11 MK8 CE 1 1
2 459 1 1 12 . CG C -3.804 2.465 4.933 1.00 . A A . 11 MK8 CG 1 1
2 460 1 1 12 . HB H -5.492 2.655 6.211 1.00 . A A . 11 MK8 HB 1 1
2 461 1 1 12 . HB1 H -4.861 -0.623 7.407 1.00 . A A . 11 MK8 HB1 1 1
2 462 1 1 12 . HB1A H -6.069 0.609 7.795 1.00 . A A . 11 MK8 HB1A 1 1
2 463 1 1 12 . HB1B H -4.395 1.075 7.499 1.00 . A A . 11 MK8 HB1B 1 1
2 464 1 1 12 . HBA H -5.895 2.320 4.554 1.00 . A A . 11 MK8 HBA 1 1
2 465 1 1 12 . HD H -2.192 1.641 6.042 1.00 . A A . 11 MK8 HD 1 1
2 466 1 1 12 . HDA H -3.355 2.535 7.001 1.00 . A A . 11 MK8 HDA 1 1
2 467 1 1 12 . HE H -2.230 4.655 6.637 1.00 . A A . 11 MK8 HE 1 1
2 468 1 1 12 . HG H -3.856 3.429 4.447 1.00 . A A . 11 MK8 HG 1 1
2 469 1 1 12 . HGA H -3.434 1.729 4.229 1.00 . A A . 11 MK8 HGA 1 1
2 470 1 1 12 . HN H -3.832 -0.072 4.461 1.00 . A A . 11 MK8 HN 1 1
2 471 1 1 12 . N N -4.623 -0.421 4.936 1.00 . A A . 11 MK8 N 1 1
2 472 1 1 12 . O O -7.897 0.809 6.159 1.00 . A A . 11 MK8 O 1 1
2 473 1 1 13 ASP C C -9.368 -1.655 4.669 1.00 . A A . 12 ASP C 1 1
2 474 1 1 13 ASP CA C -8.619 -0.694 3.745 1.00 . A A . 12 ASP CA 1 1
2 475 1 1 13 ASP CB C -8.516 -1.286 2.328 1.00 . A A . 12 ASP CB 1 1
2 476 1 1 13 ASP CG C -9.875 -1.411 1.647 1.00 . A A . 12 ASP CG 1 1
2 477 1 1 13 ASP H H -6.496 -0.672 3.717 1.00 . A A . 12 ASP H 1 1
2 478 1 1 13 ASP HA H -9.171 0.240 3.696 1.00 . A A . 12 ASP HA 1 1
2 479 1 1 13 ASP HB2 H -7.888 -0.646 1.724 1.00 . A A . 12 ASP HB2 1 1
2 480 1 1 13 ASP HB3 H -8.068 -2.269 2.379 1.00 . A A . 12 ASP HB3 1 1
2 481 1 1 13 ASP N N -7.267 -0.392 4.259 1.00 . A A . 12 ASP N 1 1
2 482 1 1 13 ASP O O -10.554 -1.405 4.985 1.00 . A A . 12 ASP O 1 1
2 483 1 1 13 ASP OD1 O -10.755 -2.102 2.204 1.00 . A A . 12 ASP OD1 1 1
2 484 1 1 13 ASP OD2 O -10.056 -0.810 0.562 1.00 . A A . 12 ASP OD2 1 1
2 485 1 1 14 SER C C -9.308 -3.292 7.417 1.00 . A A . 13 SER C 1 1
2 486 1 1 14 SER CA C -9.181 -3.800 5.978 1.00 . A A . 13 SER CA 1 1
2 487 1 1 14 SER CB C -8.299 -5.046 5.944 1.00 . A A . 13 SER CB 1 1
2 488 1 1 14 SER H H -7.723 -2.845 4.768 1.00 . A A . 13 SER H 1 1
2 489 1 1 14 SER HA H -10.169 -4.060 5.620 1.00 . A A . 13 SER HA 1 1
2 490 1 1 14 SER HB2 H -7.310 -4.799 6.302 1.00 . A A . 13 SER HB2 1 1
2 491 1 1 14 SER HB3 H -8.731 -5.806 6.581 1.00 . A A . 13 SER HB3 1 1
2 492 1 1 14 SER HG H -9.015 -5.406 4.153 1.00 . A A . 13 SER HG 1 1
2 493 1 1 14 SER N N -8.644 -2.752 5.088 1.00 . A A . 13 SER N 1 1
2 494 1 1 14 SER O O -10.362 -3.431 8.051 1.00 . A A . 13 SER O 1 1
2 495 1 1 14 SER OG O -8.193 -5.564 4.624 1.00 . A A . 13 SER OG 1 1
2 496 1 1 15 NH2 HN1 H -7.552 -2.371 7.261 1.00 . A A . 14 NH2 HN1 1 1
2 497 1 1 15 NH2 HN2 H -8.352 -2.189 8.782 1.00 . A A . 14 NH2 HN2 1 1
2 498 1 1 15 NH2 N N -8.298 -2.543 7.865 1.00 . A A . 14 NH2 N 1 1
3 499 1 1 1 ACE C C 7.539 2.053 -7.276 1.00 . A A . 0 ACE C 1 1
3 500 1 1 1 ACE CH3 C 8.138 1.880 -8.666 1.00 . A A . 0 ACE CH3 1 1
3 501 1 1 1 ACE H1 H 9.213 1.762 -8.583 1.00 . A A . 0 ACE H1 1 1
3 502 1 1 1 ACE H2 H 7.922 2.754 -9.264 1.00 . A A . 0 ACE H2 1 1
3 503 1 1 1 ACE H3 H 7.714 1.008 -9.139 1.00 . A A . 0 ACE H3 1 1
3 504 1 1 1 ACE O O 8.227 1.773 -6.274 1.00 . A A . 0 ACE O 1 1
3 505 1 1 2 GLU C C 5.062 1.396 -5.337 1.00 . A A . 1 GLU C 1 1
3 506 1 1 2 GLU CA C 5.467 2.760 -5.998 1.00 . A A . 1 GLU CA 1 1
3 507 1 1 2 GLU CB C 4.262 3.703 -6.322 1.00 . A A . 1 GLU CB 1 1
3 508 1 1 2 GLU CD C 5.322 5.199 -8.086 1.00 . A A . 1 GLU CD 1 1
3 509 1 1 2 GLU CG C 4.644 5.127 -6.729 1.00 . A A . 1 GLU CG 1 1
3 510 1 1 2 GLU H H 5.793 2.704 -8.092 1.00 . A A . 1 GLU H 1 1
3 511 1 1 2 GLU HA H 6.124 3.279 -5.316 1.00 . A A . 1 GLU HA 1 1
3 512 1 1 2 GLU HB2 H 3.695 3.269 -7.134 1.00 . A A . 1 GLU HB2 1 1
3 513 1 1 2 GLU HB3 H 3.627 3.766 -5.456 1.00 . A A . 1 GLU HB3 1 1
3 514 1 1 2 GLU HG2 H 3.743 5.729 -6.764 1.00 . A A . 1 GLU HG2 1 1
3 515 1 1 2 GLU HG3 H 5.314 5.535 -5.986 1.00 . A A . 1 GLU HG3 1 1
3 516 1 1 2 GLU N N 6.237 2.523 -7.237 1.00 . A A . 1 GLU N 1 1
3 517 1 1 2 GLU O O 3.871 0.974 -5.328 1.00 . A A . 1 GLU O 1 1
3 518 1 1 2 GLU OE1 O 4.696 4.807 -9.094 1.00 . A A . 1 GLU OE1 1 1
3 519 1 1 2 GLU OE2 O 6.482 5.645 -8.136 1.00 . A A . 1 GLU OE2 1 1
3 520 1 1 3 LYS C C 5.442 -0.553 -2.763 1.00 . A A . 2 LYS C 1 1
3 521 1 1 3 LYS CA C 6.039 -0.638 -4.179 1.00 . A A . 2 LYS CA 1 1
3 522 1 1 3 LYS CB C 7.436 -1.286 -4.152 1.00 . A A . 2 LYS CB 1 1
3 523 1 1 3 LYS CD C 8.828 -3.370 -3.872 1.00 . A A . 2 LYS CD 1 1
3 524 1 1 3 LYS CE C 8.810 -4.861 -3.581 1.00 . A A . 2 LYS CE 1 1
3 525 1 1 3 LYS CG C 7.425 -2.795 -3.916 1.00 . A A . 2 LYS CG 1 1
3 526 1 1 3 LYS H H 7.017 1.084 -4.905 1.00 . A A . 2 LYS H 1 1
3 527 1 1 3 LYS HA H 5.388 -1.245 -4.792 1.00 . A A . 2 LYS HA 1 1
3 528 1 1 3 LYS HB2 H 7.918 -1.102 -5.106 1.00 . A A . 2 LYS HB2 1 1
3 529 1 1 3 LYS HB3 H 8.019 -0.822 -3.372 1.00 . A A . 2 LYS HB3 1 1
3 530 1 1 3 LYS HD2 H 9.302 -3.207 -4.827 1.00 . A A . 2 LYS HD2 1 1
3 531 1 1 3 LYS HD3 H 9.389 -2.871 -3.098 1.00 . A A . 2 LYS HD3 1 1
3 532 1 1 3 LYS HE2 H 8.309 -5.032 -2.644 1.00 . A A . 2 LYS HE2 1 1
3 533 1 1 3 LYS HE3 H 8.268 -5.357 -4.373 1.00 . A A . 2 LYS HE3 1 1
3 534 1 1 3 LYS HG2 H 6.934 -3.003 -2.976 1.00 . A A . 2 LYS HG2 1 1
3 535 1 1 3 LYS HG3 H 6.879 -3.271 -4.720 1.00 . A A . 2 LYS HG3 1 1
3 536 1 1 3 LYS HZ1 H 10.763 -5.038 -4.288 1.00 . A A . 2 LYS HZ1 1 1
3 537 1 1 3 LYS HZ2 H 10.143 -6.457 -3.594 1.00 . A A . 2 LYS HZ2 1 1
3 538 1 1 3 LYS HZ3 H 10.628 -5.171 -2.601 1.00 . A A . 2 LYS HZ3 1 1
3 539 1 1 3 LYS N N 6.130 0.688 -4.820 1.00 . A A . 2 LYS N 1 1
3 540 1 1 3 LYS NZ N 10.181 -5.423 -3.514 1.00 . A A . 2 LYS NZ 1 1
3 541 1 1 3 LYS O O 4.402 -1.197 -2.497 1.00 . A A . 2 LYS O 1 1
3 542 1 1 4 HIS C C 4.445 1.239 -0.276 1.00 . A A . 3 HIS C 1 1
3 543 1 1 4 HIS CA C 5.718 0.412 -0.435 1.00 . A A . 3 HIS CA 1 1
3 544 1 1 4 HIS CB C 6.863 0.977 0.424 1.00 . A A . 3 HIS CB 1 1
3 545 1 1 4 HIS CD2 C 7.534 3.485 0.495 1.00 . A A . 3 HIS CD2 1 1
3 546 1 1 4 HIS CE1 C 8.617 3.599 -1.408 1.00 . A A . 3 HIS CE1 1 1
3 547 1 1 4 HIS CG C 7.483 2.258 -0.069 1.00 . A A . 3 HIS CG 1 1
3 548 1 1 4 HIS H H 6.932 0.720 -2.161 1.00 . A A . 3 HIS H 1 1
3 549 1 1 4 HIS HA H 5.501 -0.584 -0.077 1.00 . A A . 3 HIS HA 1 1
3 550 1 1 4 HIS HB2 H 6.489 1.155 1.415 1.00 . A A . 3 HIS HB2 1 1
3 551 1 1 4 HIS HB3 H 7.647 0.239 0.481 1.00 . A A . 3 HIS HB3 1 1
3 552 1 1 4 HIS HD1 H 8.315 1.636 -1.908 1.00 . A A . 3 HIS HD1 1 1
3 553 1 1 4 HIS HD2 H 7.118 3.772 1.450 1.00 . A A . 3 HIS HD2 1 1
3 554 1 1 4 HIS HE1 H 9.220 3.969 -2.230 1.00 . A A . 3 HIS HE1 1 1
3 555 1 1 4 HIS HE2 H 8.500 5.224 -0.166 1.00 . A A . 3 HIS HE2 1 1
3 556 1 1 4 HIS N N 6.125 0.256 -1.856 1.00 . A A . 3 HIS N 1 1
3 557 1 1 4 HIS ND1 N 8.168 2.364 -1.264 1.00 . A A . 3 HIS ND1 1 1
3 558 1 1 4 HIS NE2 N 8.240 4.298 -0.352 1.00 . A A . 3 HIS NE2 1 1
3 559 1 1 4 HIS O O 3.677 0.962 0.667 1.00 . A A . 3 HIS O 1 1
3 560 1 1 5 LYS C C 1.701 2.184 -1.579 1.00 . A A . 4 LYS C 1 1
3 561 1 1 5 LYS CA C 2.968 3.024 -1.294 1.00 . A A . 4 LYS CA 1 1
3 562 1 1 5 LYS CB C 3.085 4.138 -2.338 1.00 . A A . 4 LYS CB 1 1
3 563 1 1 5 LYS CD C 4.021 6.397 -2.874 1.00 . A A . 4 LYS CD 1 1
3 564 1 1 5 LYS CE C 5.003 7.491 -2.450 1.00 . A A . 4 LYS CE 1 1
3 565 1 1 5 LYS CG C 4.110 5.193 -1.963 1.00 . A A . 4 LYS CG 1 1
3 566 1 1 5 LYS H H 4.825 2.270 -1.982 1.00 . A A . 4 LYS H 1 1
3 567 1 1 5 LYS HA H 2.858 3.483 -0.324 1.00 . A A . 4 LYS HA 1 1
3 568 1 1 5 LYS HB2 H 3.358 3.702 -3.287 1.00 . A A . 4 LYS HB2 1 1
3 569 1 1 5 LYS HB3 H 2.131 4.625 -2.443 1.00 . A A . 4 LYS HB3 1 1
3 570 1 1 5 LYS HD2 H 4.243 6.094 -3.885 1.00 . A A . 4 LYS HD2 1 1
3 571 1 1 5 LYS HD3 H 3.018 6.790 -2.829 1.00 . A A . 4 LYS HD3 1 1
3 572 1 1 5 LYS HE2 H 6.000 7.082 -2.434 1.00 . A A . 4 LYS HE2 1 1
3 573 1 1 5 LYS HE3 H 4.958 8.300 -3.172 1.00 . A A . 4 LYS HE3 1 1
3 574 1 1 5 LYS HG2 H 3.928 5.515 -0.948 1.00 . A A . 4 LYS HG2 1 1
3 575 1 1 5 LYS HG3 H 5.097 4.775 -2.039 1.00 . A A . 4 LYS HG3 1 1
3 576 1 1 5 LYS HZ1 H 4.055 7.383 -0.589 1.00 . A A . 4 LYS HZ1 1 1
3 577 1 1 5 LYS HZ2 H 4.203 8.958 -1.193 1.00 . A A . 4 LYS HZ2 1 1
3 578 1 1 5 LYS HZ3 H 5.548 8.173 -0.548 1.00 . A A . 4 LYS HZ3 1 1
3 579 1 1 5 LYS N N 4.187 2.185 -1.255 1.00 . A A . 4 LYS N 1 1
3 580 1 1 5 LYS NZ N 4.679 8.039 -1.102 1.00 . A A . 4 LYS NZ 1 1
3 581 1 1 5 LYS O O 0.683 2.358 -0.866 1.00 . A A . 4 LYS O 1 1
3 582 1 1 6 ILE C C 0.223 -0.600 -1.970 1.00 . A A . 5 ILE C 1 1
3 583 1 1 6 ILE CA C 0.629 0.424 -3.058 1.00 . A A . 5 ILE CA 1 1
3 584 1 1 6 ILE CB C 0.896 -0.224 -4.488 1.00 . A A . 5 ILE CB 1 1
3 585 1 1 6 ILE CD1 C -1.304 0.091 -5.777 1.00 . A A . 5 ILE CD1 1 1
3 586 1 1 6 ILE CG1 C -0.356 -0.880 -5.102 1.00 . A A . 5 ILE CG1 1 1
3 587 1 1 6 ILE CG2 C 2.057 -1.220 -4.505 1.00 . A A . 5 ILE CG2 1 1
3 588 1 1 6 ILE H H 2.624 1.177 -3.123 1.00 . A A . 5 ILE H 1 1
3 589 1 1 6 ILE HA H -0.199 1.107 -3.173 1.00 . A A . 5 ILE HA 1 1
3 590 1 1 6 ILE HB H 1.181 0.588 -5.136 1.00 . A A . 5 ILE HB 1 1
3 591 1 1 6 ILE HD11 H -2.067 -0.455 -6.310 1.00 . A A . 5 ILE HD11 1 1
3 592 1 1 6 ILE HD12 H -0.745 0.705 -6.476 1.00 . A A . 5 ILE HD12 1 1
3 593 1 1 6 ILE HD13 H -1.761 0.722 -5.028 1.00 . A A . 5 ILE HD13 1 1
3 594 1 1 6 ILE HG12 H -0.040 -1.600 -5.844 1.00 . A A . 5 ILE HG12 1 1
3 595 1 1 6 ILE HG13 H -0.901 -1.387 -4.321 1.00 . A A . 5 ILE HG13 1 1
3 596 1 1 6 ILE HG21 H 1.963 -1.893 -3.672 1.00 . A A . 5 ILE HG21 1 1
3 597 1 1 6 ILE HG22 H 2.985 -0.685 -4.430 1.00 . A A . 5 ILE HG22 1 1
3 598 1 1 6 ILE HG23 H 2.035 -1.788 -5.429 1.00 . A A . 5 ILE HG23 1 1
3 599 1 1 6 ILE N N 1.778 1.262 -2.628 1.00 . A A . 5 ILE N 1 1
3 600 1 1 6 ILE O O -0.988 -0.807 -1.771 1.00 . A A . 5 ILE O 1 1
3 601 1 1 7 LEU C C 0.294 -1.521 1.033 1.00 . A A . 6 LEU C 1 1
3 602 1 1 7 LEU CA C 1.034 -2.170 -0.158 1.00 . A A . 6 LEU CA 1 1
3 603 1 1 7 LEU CB C 2.383 -2.757 0.281 1.00 . A A . 6 LEU CB 1 1
3 604 1 1 7 LEU CD1 C 2.182 -5.281 0.275 1.00 . A A . 6 LEU CD1 1 1
3 605 1 1 7 LEU CD2 C 3.536 -4.124 2.029 1.00 . A A . 6 LEU CD2 1 1
3 606 1 1 7 LEU CG C 2.311 -4.025 1.142 1.00 . A A . 6 LEU CG 1 1
3 607 1 1 7 LEU H H 2.181 -0.936 -1.469 1.00 . A A . 6 LEU H 1 1
3 608 1 1 7 LEU HA H 0.418 -2.974 -0.539 1.00 . A A . 6 LEU HA 1 1
3 609 1 1 7 LEU HB2 H 2.961 -2.981 -0.607 1.00 . A A . 6 LEU HB2 1 1
3 610 1 1 7 LEU HB3 H 2.908 -2.001 0.842 1.00 . A A . 6 LEU HB3 1 1
3 611 1 1 7 LEU HD11 H 1.270 -5.216 -0.308 1.00 . A A . 6 LEU HD11 1 1
3 612 1 1 7 LEU HD12 H 2.147 -6.156 0.906 1.00 . A A . 6 LEU HD12 1 1
3 613 1 1 7 LEU HD13 H 3.027 -5.342 -0.384 1.00 . A A . 6 LEU HD13 1 1
3 614 1 1 7 LEU HD21 H 3.501 -5.044 2.583 1.00 . A A . 6 LEU HD21 1 1
3 615 1 1 7 LEU HD22 H 3.557 -3.287 2.715 1.00 . A A . 6 LEU HD22 1 1
3 616 1 1 7 LEU HD23 H 4.420 -4.110 1.411 1.00 . A A . 6 LEU HD23 1 1
3 617 1 1 7 LEU HG H 1.444 -3.972 1.780 1.00 . A A . 6 LEU HG 1 1
3 618 1 1 7 LEU N N 1.252 -1.187 -1.248 1.00 . A A . 6 LEU N 1 1
3 619 1 1 7 LEU O O -0.715 -2.057 1.492 1.00 . A A . 6 LEU O 1 1
3 620 1 1 8 . C C -1.284 0.727 2.454 1.00 . A A . 7 MK8 C 1 1
3 621 1 1 8 . CA C 0.265 0.443 2.699 1.00 . A A . 7 MK8 CA 1 1
3 622 1 1 8 . CB C 1.077 1.801 2.781 1.00 . A A . 7 MK8 CB 1 1
3 623 1 1 8 . CB1 C 0.548 -0.401 4.001 1.00 . A A . 7 MK8 CB1 1 1
3 624 1 1 8 . CD C -0.503 3.774 3.227 1.00 . A A . 7 MK8 CD 1 1
3 625 1 1 8 . CE C -1.509 4.485 4.213 1.00 . A A . 7 MK8 CE 1 1
3 626 1 1 8 . CG C 0.617 2.924 3.785 1.00 . A A . 7 MK8 CG 1 1
3 627 1 1 8 . HB H 1.067 2.239 1.790 1.00 . A A . 7 MK8 HB 1 1
3 628 1 1 8 . HB1 H -0.071 -0.037 4.810 1.00 . A A . 7 MK8 HB1 1 1
3 629 1 1 8 . HB1A H 1.588 -0.313 4.278 1.00 . A A . 7 MK8 HB1A 1 1
3 630 1 1 8 . HB1B H 0.310 -1.441 3.808 1.00 . A A . 7 MK8 HB1B 1 1
3 631 1 1 8 . HBA H 2.104 1.564 3.020 1.00 . A A . 7 MK8 HBA 1 1
3 632 1 1 8 . HD H -1.081 3.134 2.583 1.00 . A A . 7 MK8 HD 1 1
3 633 1 1 8 . HDA H -0.063 4.546 2.619 1.00 . A A . 7 MK8 HDA 1 1
3 634 1 1 8 . HE H -1.097 5.261 4.845 1.00 . A A . 7 MK8 HE 1 1
3 635 1 1 8 . HG H 1.467 3.545 4.007 1.00 . A A . 7 MK8 HG 1 1
3 636 1 1 8 . HGA H 0.268 2.457 4.694 1.00 . A A . 7 MK8 HGA 1 1
3 637 1 1 8 . HN H 1.623 0.009 1.102 1.00 . A A . 7 MK8 HN 1 1
3 638 1 1 8 . N N 0.829 -0.339 1.538 1.00 . A A . 7 MK8 N 1 1
3 639 1 1 8 . O O -2.093 0.727 3.419 1.00 . A A . 7 MK8 O 1 1
3 640 1 1 9 ARG C C -4.044 0.248 0.660 1.00 . A A . 8 ARG C 1 1
3 641 1 1 9 ARG CA C -3.056 1.415 0.734 1.00 . A A . 8 ARG CA 1 1
3 642 1 1 9 ARG CB C -3.053 2.121 -0.618 1.00 . A A . 8 ARG CB 1 1
3 643 1 1 9 ARG CD C -2.535 4.178 -1.941 1.00 . A A . 8 ARG CD 1 1
3 644 1 1 9 ARG CG C -2.368 3.479 -0.605 1.00 . A A . 8 ARG CG 1 1
3 645 1 1 9 ARG CZ C -1.862 6.399 -3.022 1.00 . A A . 8 ARG CZ 1 1
3 646 1 1 9 ARG H H -0.960 1.093 0.459 1.00 . A A . 8 ARG H 1 1
3 647 1 1 9 ARG HA H -3.431 2.109 1.463 1.00 . A A . 8 ARG HA 1 1
3 648 1 1 9 ARG HB2 H -2.545 1.489 -1.336 1.00 . A A . 8 ARG HB2 1 1
3 649 1 1 9 ARG HB3 H -4.075 2.261 -0.936 1.00 . A A . 8 ARG HB3 1 1
3 650 1 1 9 ARG HD2 H -2.123 3.531 -2.702 1.00 . A A . 8 ARG HD2 1 1
3 651 1 1 9 ARG HD3 H -3.588 4.325 -2.135 1.00 . A A . 8 ARG HD3 1 1
3 652 1 1 9 ARG HE H -1.308 5.725 -1.191 1.00 . A A . 8 ARG HE 1 1
3 653 1 1 9 ARG HG2 H -2.806 4.088 0.174 1.00 . A A . 8 ARG HG2 1 1
3 654 1 1 9 ARG HG3 H -1.313 3.337 -0.410 1.00 . A A . 8 ARG HG3 1 1
3 655 1 1 9 ARG HH11 H -3.028 5.320 -4.312 1.00 . A A . 8 ARG HH11 1 1
3 656 1 1 9 ARG HH12 H -2.521 6.868 -4.886 1.00 . A A . 8 ARG HH12 1 1
3 657 1 1 9 ARG HH21 H -0.668 7.711 -2.054 1.00 . A A . 8 ARG HH21 1 1
3 658 1 1 9 ARG HH22 H -1.190 8.210 -3.629 1.00 . A A . 8 ARG HH22 1 1
3 659 1 1 9 ARG N N -1.664 1.037 1.140 1.00 . A A . 8 ARG N 1 1
3 660 1 1 9 ARG NE N -1.838 5.487 -1.983 1.00 . A A . 8 ARG NE 1 1
3 661 1 1 9 ARG NH1 N -2.525 6.173 -4.173 1.00 . A A . 8 ARG NH1 1 1
3 662 1 1 9 ARG NH2 N -1.185 7.531 -2.891 1.00 . A A . 8 ARG NH2 1 1
3 663 1 1 9 ARG O O -5.220 0.473 1.020 1.00 . A A . 8 ARG O 1 1
3 664 1 1 10 LEU C C -4.775 -2.727 1.457 1.00 . A A . 9 LEU C 1 1
3 665 1 1 10 LEU CA C -4.416 -2.182 0.073 1.00 . A A . 9 LEU CA 1 1
3 666 1 1 10 LEU CB C -3.678 -3.263 -0.730 1.00 . A A . 9 LEU CB 1 1
3 667 1 1 10 LEU CD1 C -5.179 -4.084 -2.582 1.00 . A A . 9 LEU CD1 1 1
3 668 1 1 10 LEU CD2 C -3.677 -5.690 -1.378 1.00 . A A . 9 LEU CD2 1 1
3 669 1 1 10 LEU CG C -4.530 -4.435 -1.250 1.00 . A A . 9 LEU CG 1 1
3 670 1 1 10 LEU H H -2.647 -1.038 -0.075 1.00 . A A . 9 LEU H 1 1
3 671 1 1 10 LEU HA H -5.335 -1.905 -0.451 1.00 . A A . 9 LEU HA 1 1
3 672 1 1 10 LEU HB2 H -3.195 -2.789 -1.575 1.00 . A A . 9 LEU HB2 1 1
3 673 1 1 10 LEU HB3 H -2.915 -3.673 -0.087 1.00 . A A . 9 LEU HB3 1 1
3 674 1 1 10 LEU HD11 H -6.239 -4.262 -2.523 1.00 . A A . 9 LEU HD11 1 1
3 675 1 1 10 LEU HD12 H -4.753 -4.692 -3.369 1.00 . A A . 9 LEU HD12 1 1
3 676 1 1 10 LEU HD13 H -5.006 -3.038 -2.795 1.00 . A A . 9 LEU HD13 1 1
3 677 1 1 10 LEU HD21 H -3.524 -5.918 -2.421 1.00 . A A . 9 LEU HD21 1 1
3 678 1 1 10 LEU HD22 H -4.181 -6.519 -0.907 1.00 . A A . 9 LEU HD22 1 1
3 679 1 1 10 LEU HD23 H -2.720 -5.532 -0.896 1.00 . A A . 9 LEU HD23 1 1
3 680 1 1 10 LEU HG H -5.318 -4.637 -0.541 1.00 . A A . 9 LEU HG 1 1
3 681 1 1 10 LEU N N -3.572 -0.972 0.201 1.00 . A A . 9 LEU N 1 1
3 682 1 1 10 LEU O O -5.852 -3.334 1.618 1.00 . A A . 9 LEU O 1 1
3 683 1 1 11 LEU C C -4.924 -2.064 4.663 1.00 . A A . 10 LEU C 1 1
3 684 1 1 11 LEU CA C -3.969 -2.947 3.839 1.00 . A A . 10 LEU CA 1 1
3 685 1 1 11 LEU CB C -2.568 -2.974 4.501 1.00 . A A . 10 LEU CB 1 1
3 686 1 1 11 LEU CD1 C -2.307 -5.243 5.621 1.00 . A A . 10 LEU CD1 1 1
3 687 1 1 11 LEU CD2 C -1.260 -3.212 6.645 1.00 . A A . 10 LEU CD2 1 1
3 688 1 1 11 LEU CG C -2.441 -3.738 5.841 1.00 . A A . 10 LEU CG 1 1
3 689 1 1 11 LEU H H -3.013 -2.036 2.188 1.00 . A A . 10 LEU H 1 1
3 690 1 1 11 LEU HA H -4.358 -3.961 3.830 1.00 . A A . 10 LEU HA 1 1
3 691 1 1 11 LEU HB2 H -1.874 -3.416 3.795 1.00 . A A . 10 LEU HB2 1 1
3 692 1 1 11 LEU HB3 H -2.268 -1.950 4.666 1.00 . A A . 10 LEU HB3 1 1
3 693 1 1 11 LEU HD11 H -2.407 -5.757 6.565 1.00 . A A . 10 LEU HD11 1 1
3 694 1 1 11 LEU HD12 H -1.341 -5.463 5.186 1.00 . A A . 10 LEU HD12 1 1
3 695 1 1 11 LEU HD13 H -3.085 -5.571 4.955 1.00 . A A . 10 LEU HD13 1 1
3 696 1 1 11 LEU HD21 H -1.314 -3.584 7.656 1.00 . A A . 10 LEU HD21 1 1
3 697 1 1 11 LEU HD22 H -1.291 -2.128 6.663 1.00 . A A . 10 LEU HD22 1 1
3 698 1 1 11 LEU HD23 H -0.342 -3.538 6.188 1.00 . A A . 10 LEU HD23 1 1
3 699 1 1 11 LEU HG H -3.338 -3.571 6.430 1.00 . A A . 10 LEU HG 1 1
3 700 1 1 11 LEU N N -3.837 -2.504 2.439 1.00 . A A . 10 LEU N 1 1
3 701 1 1 11 LEU O O -5.930 -2.577 5.165 1.00 . A A . 10 LEU O 1 1
3 702 1 1 12 . C C -6.885 0.225 5.336 1.00 . A A . 11 MK8 C 1 1
3 703 1 1 12 . CA C -5.347 0.262 5.677 1.00 . A A . 11 MK8 CA 1 1
3 704 1 1 12 . CB C -4.719 1.700 5.514 1.00 . A A . 11 MK8 CB 1 1
3 705 1 1 12 . CB1 C -5.129 -0.095 7.169 1.00 . A A . 11 MK8 CB1 1 1
3 706 1 1 12 . CD C -3.737 3.169 3.580 1.00 . A A . 11 MK8 CD 1 1
3 707 1 1 12 . CE C -2.875 4.235 4.360 1.00 . A A . 11 MK8 CE 1 1
3 708 1 1 12 . CG C -4.963 2.489 4.191 1.00 . A A . 11 MK8 CG 1 1
3 709 1 1 12 . HB H -3.648 1.616 5.664 1.00 . A A . 11 MK8 HB 1 1
3 710 1 1 12 . HB1 H -4.248 -0.708 7.266 1.00 . A A . 11 MK8 HB1 1 1
3 711 1 1 12 . HB1A H -5.989 -0.635 7.548 1.00 . A A . 11 MK8 HB1A 1 1
3 712 1 1 12 . HB1B H -5.000 0.818 7.734 1.00 . A A . 11 MK8 HB1B 1 1
3 713 1 1 12 . HBA H -5.116 2.310 6.296 1.00 . A A . 11 MK8 HBA 1 1
3 714 1 1 12 . HD H -4.076 3.628 2.661 1.00 . A A . 11 MK8 HD 1 1
3 715 1 1 12 . HDA H -3.066 2.383 3.315 1.00 . A A . 11 MK8 HDA 1 1
3 716 1 1 12 . HE H -3.393 4.834 5.093 1.00 . A A . 11 MK8 HE 1 1
3 717 1 1 12 . HG H -5.710 3.241 4.376 1.00 . A A . 11 MK8 HG 1 1
3 718 1 1 12 . HGA H -5.341 1.803 3.459 1.00 . A A . 11 MK8 HGA 1 1
3 719 1 1 12 . HN H -3.737 -0.426 4.429 1.00 . A A . 11 MK8 HN 1 1
3 720 1 1 12 . N N -4.571 -0.730 4.844 1.00 . A A . 11 MK8 N 1 1
3 721 1 1 12 . O O -7.723 0.790 6.090 1.00 . A A . 11 MK8 O 1 1
3 722 1 1 13 ASP C C -9.431 -1.460 4.562 1.00 . A A . 12 ASP C 1 1
3 723 1 1 13 ASP CA C -8.581 -0.575 3.639 1.00 . A A . 12 ASP CA 1 1
3 724 1 1 13 ASP CB C -8.527 -1.171 2.220 1.00 . A A . 12 ASP CB 1 1
3 725 1 1 13 ASP CG C -9.889 -1.238 1.543 1.00 . A A . 12 ASP CG 1 1
3 726 1 1 13 ASP H H -6.485 -0.826 3.638 1.00 . A A . 12 ASP H 1 1
3 727 1 1 13 ASP HA H -9.031 0.406 3.599 1.00 . A A . 12 ASP HA 1 1
3 728 1 1 13 ASP HB2 H -7.873 -0.561 1.609 1.00 . A A . 12 ASP HB2 1 1
3 729 1 1 13 ASP HB3 H -8.123 -2.174 2.277 1.00 . A A . 12 ASP HB3 1 1
3 730 1 1 13 ASP N N -7.212 -0.434 4.163 1.00 . A A . 12 ASP N 1 1
3 731 1 1 13 ASP O O -10.586 -1.106 4.867 1.00 . A A . 12 ASP O 1 1
3 732 1 1 13 ASP OD1 O -10.525 -0.178 1.386 1.00 . A A . 12 ASP OD1 1 1
3 733 1 1 13 ASP OD2 O -10.310 -2.354 1.164 1.00 . A A . 12 ASP OD2 1 1
3 734 1 1 14 SER C C -9.508 -3.092 7.298 1.00 . A A . 13 SER C 1 1
3 735 1 1 14 SER CA C -9.435 -3.614 5.876 1.00 . A A . 13 SER CA 1 1
3 736 1 1 14 SER CB C -8.647 -4.921 5.855 1.00 . A A . 13 SER CB 1 1
3 737 1 1 14 SER H H -7.896 -2.768 4.684 1.00 . A A . 13 SER H 1 1
3 738 1 1 14 SER HA H -10.444 -3.796 5.517 1.00 . A A . 13 SER HA 1 1
3 739 1 1 14 SER HB2 H -7.651 -4.744 6.237 1.00 . A A . 13 SER HB2 1 1
3 740 1 1 14 SER HB3 H -9.150 -5.661 6.467 1.00 . A A . 13 SER HB3 1 1
3 741 1 1 14 SER HG H -8.931 -4.785 3.930 1.00 . A A . 13 SER HG 1 1
3 742 1 1 14 SER N N -8.812 -2.609 4.987 1.00 . A A . 13 SER N 1 1
3 743 1 1 14 SER O O -10.531 -3.226 7.958 1.00 . A A . 13 SER O 1 1
3 744 1 1 14 SER OG O -8.541 -5.423 4.541 1.00 . A A . 13 SER OG 1 1
3 745 1 1 15 NH2 HN1 H -7.622 -2.447 7.187 1.00 . A A . 14 NH2 HN1 1 1
3 746 1 1 15 NH2 HN2 H -8.425 -2.145 8.689 1.00 . A A . 14 NH2 HN2 1 1
3 747 1 1 15 NH2 N N -8.408 -2.503 7.775 1.00 . A A . 14 NH2 N 1 1
4 748 1 1 1 ACE C C 8.077 2.678 -5.216 1.00 . A A . 0 ACE C 1 1
4 749 1 1 1 ACE CH3 C 9.561 2.594 -5.554 1.00 . A A . 0 ACE CH3 1 1
4 750 1 1 1 ACE H1 H 9.931 3.583 -5.809 1.00 . A A . 0 ACE H1 1 1
4 751 1 1 1 ACE H2 H 9.707 1.926 -6.391 1.00 . A A . 0 ACE H2 1 1
4 752 1 1 1 ACE H3 H 10.103 2.214 -4.697 1.00 . A A . 0 ACE H3 1 1
4 753 1 1 1 ACE O O 7.720 2.792 -4.027 1.00 . A A . 0 ACE O 1 1
4 754 1 1 2 GLU C C 5.111 1.456 -5.631 1.00 . A A . 1 GLU C 1 1
4 755 1 1 2 GLU CA C 5.753 2.733 -6.213 1.00 . A A . 1 GLU CA 1 1
4 756 1 1 2 GLU CB C 5.190 3.026 -7.618 1.00 . A A . 1 GLU CB 1 1
4 757 1 1 2 GLU CD C 3.611 4.956 -7.086 1.00 . A A . 1 GLU CD 1 1
4 758 1 1 2 GLU CG C 3.751 3.551 -7.636 1.00 . A A . 1 GLU CG 1 1
4 759 1 1 2 GLU H H 7.634 2.581 -7.189 1.00 . A A . 1 GLU H 1 1
4 760 1 1 2 GLU HA H 5.509 3.560 -5.565 1.00 . A A . 1 GLU HA 1 1
4 761 1 1 2 GLU HB2 H 5.824 3.759 -8.101 1.00 . A A . 1 GLU HB2 1 1
4 762 1 1 2 GLU HB3 H 5.220 2.117 -8.197 1.00 . A A . 1 GLU HB3 1 1
4 763 1 1 2 GLU HG2 H 3.399 3.555 -8.653 1.00 . A A . 1 GLU HG2 1 1
4 764 1 1 2 GLU HG3 H 3.135 2.890 -7.046 1.00 . A A . 1 GLU HG3 1 1
4 765 1 1 2 GLU N N 7.227 2.646 -6.294 1.00 . A A . 1 GLU N 1 1
4 766 1 1 2 GLU O O 3.869 1.414 -5.508 1.00 . A A . 1 GLU O 1 1
4 767 1 1 2 GLU OE1 O 4.287 5.865 -7.612 1.00 . A A . 1 GLU OE1 1 1
4 768 1 1 2 GLU OE2 O 2.823 5.144 -6.145 1.00 . A A . 1 GLU OE2 1 1
4 769 1 1 3 LYS C C 5.103 -0.784 -3.256 1.00 . A A . 2 LYS C 1 1
4 770 1 1 3 LYS CA C 5.529 -0.884 -4.738 1.00 . A A . 2 LYS CA 1 1
4 771 1 1 3 LYS CB C 6.664 -1.918 -4.903 1.00 . A A . 2 LYS CB 1 1
4 772 1 1 3 LYS CD C 7.397 -4.325 -4.831 1.00 . A A . 2 LYS CD 1 1
4 773 1 1 3 LYS CE C 6.951 -5.776 -4.718 1.00 . A A . 2 LYS CE 1 1
4 774 1 1 3 LYS CG C 6.212 -3.370 -4.787 1.00 . A A . 2 LYS CG 1 1
4 775 1 1 3 LYS H H 6.928 0.547 -5.434 1.00 . A A . 2 LYS H 1 1
4 776 1 1 3 LYS HA H 4.677 -1.212 -5.319 1.00 . A A . 2 LYS HA 1 1
4 777 1 1 3 LYS HB2 H 7.118 -1.783 -5.878 1.00 . A A . 2 LYS HB2 1 1
4 778 1 1 3 LYS HB3 H 7.417 -1.740 -4.153 1.00 . A A . 2 LYS HB3 1 1
4 779 1 1 3 LYS HD2 H 7.923 -4.190 -5.763 1.00 . A A . 2 LYS HD2 1 1
4 780 1 1 3 LYS HD3 H 8.062 -4.099 -4.010 1.00 . A A . 2 LYS HD3 1 1
4 781 1 1 3 LYS HE2 H 7.831 -6.408 -4.674 1.00 . A A . 2 LYS HE2 1 1
4 782 1 1 3 LYS HE3 H 6.372 -5.888 -3.807 1.00 . A A . 2 LYS HE3 1 1
4 783 1 1 3 LYS HG2 H 5.687 -3.500 -3.849 1.00 . A A . 2 LYS HG2 1 1
4 784 1 1 3 LYS HG3 H 5.543 -3.598 -5.607 1.00 . A A . 2 LYS HG3 1 1
4 785 1 1 3 LYS HZ1 H 5.849 -7.194 -5.778 1.00 . A A . 2 LYS HZ1 1 1
4 786 1 1 3 LYS HZ2 H 6.643 -6.069 -6.765 1.00 . A A . 2 LYS HZ2 1 1
4 787 1 1 3 LYS HZ3 H 5.249 -5.615 -5.913 1.00 . A A . 2 LYS HZ3 1 1
4 788 1 1 3 LYS N N 5.969 0.419 -5.293 1.00 . A A . 2 LYS N 1 1
4 789 1 1 3 LYS NZ N 6.112 -6.193 -5.876 1.00 . A A . 2 LYS NZ 1 1
4 790 1 1 3 LYS O O 4.088 -1.404 -2.861 1.00 . A A . 2 LYS O 1 1
4 791 1 1 4 HIS C C 4.410 1.063 -0.753 1.00 . A A . 3 HIS C 1 1
4 792 1 1 4 HIS CA C 5.655 0.220 -0.991 1.00 . A A . 3 HIS CA 1 1
4 793 1 1 4 HIS CB C 6.902 0.848 -0.328 1.00 . A A . 3 HIS CB 1 1
4 794 1 1 4 HIS CD2 C 7.824 0.086 1.983 1.00 . A A . 3 HIS CD2 1 1
4 795 1 1 4 HIS CE1 C 6.333 1.043 3.269 1.00 . A A . 3 HIS CE1 1 1
4 796 1 1 4 HIS CG C 6.949 0.730 1.176 1.00 . A A . 3 HIS CG 1 1
4 797 1 1 4 HIS H H 6.645 0.503 -2.859 1.00 . A A . 3 HIS H 1 1
4 798 1 1 4 HIS HA H 5.486 -0.759 -0.567 1.00 . A A . 3 HIS HA 1 1
4 799 1 1 4 HIS HB2 H 7.784 0.359 -0.717 1.00 . A A . 3 HIS HB2 1 1
4 800 1 1 4 HIS HB3 H 6.946 1.892 -0.576 1.00 . A A . 3 HIS HB3 1 1
4 801 1 1 4 HIS HD1 H 5.262 1.858 1.740 1.00 . A A . 3 HIS HD1 1 1
4 802 1 1 4 HIS HD2 H 8.680 -0.498 1.666 1.00 . A A . 3 HIS HD2 1 1
4 803 1 1 4 HIS HE1 H 5.804 1.402 4.138 1.00 . A A . 3 HIS HE1 1 1
4 804 1 1 4 HIS HE2 H 7.857 -0.068 4.078 1.00 . A A . 3 HIS HE2 1 1
4 805 1 1 4 HIS N N 5.886 0.036 -2.446 1.00 . A A . 3 HIS N 1 1
4 806 1 1 4 HIS ND1 N 6.027 1.317 2.016 1.00 . A A . 3 HIS ND1 1 1
4 807 1 1 4 HIS NE2 N 7.420 0.295 3.275 1.00 . A A . 3 HIS NE2 1 1
4 808 1 1 4 HIS O O 3.716 0.824 0.247 1.00 . A A . 3 HIS O 1 1
4 809 1 1 5 LYS C C 1.605 2.065 -1.855 1.00 . A A . 4 LYS C 1 1
4 810 1 1 5 LYS CA C 2.911 2.860 -1.696 1.00 . A A . 4 LYS CA 1 1
4 811 1 1 5 LYS CB C 2.999 3.949 -2.771 1.00 . A A . 4 LYS CB 1 1
4 812 1 1 5 LYS CD C 4.172 6.003 -3.620 1.00 . A A . 4 LYS CD 1 1
4 813 1 1 5 LYS CE C 5.192 7.083 -3.300 1.00 . A A . 4 LYS CE 1 1
4 814 1 1 5 LYS CG C 4.132 4.939 -2.544 1.00 . A A . 4 LYS CG 1 1
4 815 1 1 5 LYS H H 4.696 2.053 -2.516 1.00 . A A . 4 LYS H 1 1
4 816 1 1 5 LYS HA H 2.894 3.333 -0.738 1.00 . A A . 4 LYS HA 1 1
4 817 1 1 5 LYS HB2 H 3.147 3.480 -3.729 1.00 . A A . 4 LYS HB2 1 1
4 818 1 1 5 LYS HB3 H 2.070 4.498 -2.785 1.00 . A A . 4 LYS HB3 1 1
4 819 1 1 5 LYS HD2 H 4.433 5.539 -4.559 1.00 . A A . 4 LYS HD2 1 1
4 820 1 1 5 LYS HD3 H 3.196 6.457 -3.692 1.00 . A A . 4 LYS HD3 1 1
4 821 1 1 5 LYS HE2 H 4.926 7.550 -2.365 1.00 . A A . 4 LYS HE2 1 1
4 822 1 1 5 LYS HE3 H 6.165 6.627 -3.211 1.00 . A A . 4 LYS HE3 1 1
4 823 1 1 5 LYS HG2 H 3.993 5.424 -1.592 1.00 . A A . 4 LYS HG2 1 1
4 824 1 1 5 LYS HG3 H 5.067 4.406 -2.550 1.00 . A A . 4 LYS HG3 1 1
4 825 1 1 5 LYS HZ1 H 6.114 8.690 -4.244 1.00 . A A . 4 LYS HZ1 1 1
4 826 1 1 5 LYS HZ2 H 4.425 8.763 -4.265 1.00 . A A . 4 LYS HZ2 1 1
4 827 1 1 5 LYS HZ3 H 5.237 7.700 -5.297 1.00 . A A . 4 LYS HZ3 1 1
4 828 1 1 5 LYS N N 4.106 1.992 -1.730 1.00 . A A . 4 LYS N 1 1
4 829 1 1 5 LYS NZ N 5.246 8.132 -4.352 1.00 . A A . 4 LYS NZ 1 1
4 830 1 1 5 LYS O O 0.645 2.294 -1.081 1.00 . A A . 4 LYS O 1 1
4 831 1 1 6 ILE C C 0.005 -0.651 -2.026 1.00 . A A . 5 ILE C 1 1
4 832 1 1 6 ILE CA C 0.376 0.287 -3.195 1.00 . A A . 5 ILE CA 1 1
4 833 1 1 6 ILE CB C 0.539 -0.467 -4.598 1.00 . A A . 5 ILE CB 1 1
4 834 1 1 6 ILE CD1 C -1.746 -0.159 -5.752 1.00 . A A . 5 ILE CD1 1 1
4 835 1 1 6 ILE CG1 C -0.775 -1.122 -5.094 1.00 . A A . 5 ILE CG1 1 1
4 836 1 1 6 ILE CG2 C 1.658 -1.520 -4.612 1.00 . A A . 5 ILE CG2 1 1
4 837 1 1 6 ILE H H 2.377 0.983 -3.417 1.00 . A A . 5 ILE H 1 1
4 838 1 1 6 ILE HA H -0.441 0.989 -3.309 1.00 . A A . 5 ILE HA 1 1
4 839 1 1 6 ILE HB H 0.822 0.279 -5.327 1.00 . A A . 5 ILE HB 1 1
4 840 1 1 6 ILE HD11 H -2.205 0.463 -4.995 1.00 . A A . 5 ILE HD11 1 1
4 841 1 1 6 ILE HD12 H -2.510 -0.713 -6.275 1.00 . A A . 5 ILE HD12 1 1
4 842 1 1 6 ILE HD13 H -1.209 0.466 -6.446 1.00 . A A . 5 ILE HD13 1 1
4 843 1 1 6 ILE HG12 H -0.533 -1.888 -5.813 1.00 . A A . 5 ILE HG12 1 1
4 844 1 1 6 ILE HG13 H -1.276 -1.578 -4.257 1.00 . A A . 5 ILE HG13 1 1
4 845 1 1 6 ILE HG21 H 1.967 -1.689 -5.631 1.00 . A A . 5 ILE HG21 1 1
4 846 1 1 6 ILE HG22 H 1.281 -2.437 -4.201 1.00 . A A . 5 ILE HG22 1 1
4 847 1 1 6 ILE HG23 H 2.501 -1.175 -4.029 1.00 . A A . 5 ILE HG23 1 1
4 848 1 1 6 ILE N N 1.576 1.102 -2.868 1.00 . A A . 5 ILE N 1 1
4 849 1 1 6 ILE O O -1.196 -0.787 -1.737 1.00 . A A . 5 ILE O 1 1
4 850 1 1 7 LEU C C 0.235 -1.418 1.016 1.00 . A A . 6 LEU C 1 1
4 851 1 1 7 LEU CA C 0.866 -2.155 -0.183 1.00 . A A . 6 LEU CA 1 1
4 852 1 1 7 LEU CB C 2.210 -2.792 0.220 1.00 . A A . 6 LEU CB 1 1
4 853 1 1 7 LEU CD1 C 1.865 -5.305 0.424 1.00 . A A . 6 LEU CD1 1 1
4 854 1 1 7 LEU CD2 C 3.434 -4.121 1.961 1.00 . A A . 6 LEU CD2 1 1
4 855 1 1 7 LEU CG C 2.143 -4.006 1.175 1.00 . A A . 6 LEU CG 1 1
4 856 1 1 7 LEU H H 1.967 -1.042 -1.624 1.00 . A A . 6 LEU H 1 1
4 857 1 1 7 LEU HA H 0.186 -2.940 -0.501 1.00 . A A . 6 LEU HA 1 1
4 858 1 1 7 LEU HB2 H 2.717 -3.091 -0.677 1.00 . A A . 6 LEU HB2 1 1
4 859 1 1 7 LEU HB3 H 2.799 -2.023 0.693 1.00 . A A . 6 LEU HB3 1 1
4 860 1 1 7 LEU HD11 H 1.479 -5.074 -0.552 1.00 . A A . 6 LEU HD11 1 1
4 861 1 1 7 LEU HD12 H 1.140 -5.885 0.978 1.00 . A A . 6 LEU HD12 1 1
4 862 1 1 7 LEU HD13 H 2.776 -5.874 0.323 1.00 . A A . 6 LEU HD13 1 1
4 863 1 1 7 LEU HD21 H 3.832 -5.123 1.859 1.00 . A A . 6 LEU HD21 1 1
4 864 1 1 7 LEU HD22 H 3.243 -3.914 3.001 1.00 . A A . 6 LEU HD22 1 1
4 865 1 1 7 LEU HD23 H 4.150 -3.408 1.578 1.00 . A A . 6 LEU HD23 1 1
4 866 1 1 7 LEU HG H 1.336 -3.859 1.883 1.00 . A A . 6 LEU HG 1 1
4 867 1 1 7 LEU N N 1.050 -1.244 -1.336 1.00 . A A . 6 LEU N 1 1
4 868 1 1 7 LEU O O -0.741 -1.917 1.595 1.00 . A A . 6 LEU O 1 1
4 869 1 1 8 . C C -1.217 0.928 2.397 1.00 . A A . 7 MK8 C 1 1
4 870 1 1 8 . CA C 0.338 0.642 2.556 1.00 . A A . 7 MK8 CA 1 1
4 871 1 1 8 . CB C 1.158 1.992 2.494 1.00 . A A . 7 MK8 CB 1 1
4 872 1 1 8 . CB1 C 0.704 -0.119 3.885 1.00 . A A . 7 MK8 CB1 1 1
4 873 1 1 8 . CD C -0.420 3.986 2.991 1.00 . A A . 7 MK8 CD 1 1
4 874 1 1 8 . CE C -1.157 4.886 4.035 1.00 . A A . 7 MK8 CE 1 1
4 875 1 1 8 . CG C 0.786 3.179 3.462 1.00 . A A . 7 MK8 CG 1 1
4 876 1 1 8 . HB H 1.074 2.370 1.484 1.00 . A A . 7 MK8 HB 1 1
4 877 1 1 8 . HB1 H 0.946 -1.150 3.659 1.00 . A A . 7 MK8 HB1 1 1
4 878 1 1 8 . HB1A H -0.136 -0.086 4.563 1.00 . A A . 7 MK8 HB1A 1 1
4 879 1 1 8 . HB1B H 1.550 0.362 4.343 1.00 . A A . 7 MK8 HB1B 1 1
4 880 1 1 8 . HBA H 2.194 1.746 2.675 1.00 . A A . 7 MK8 HBA 1 1
4 881 1 1 8 . HD H -1.129 3.302 2.569 1.00 . A A . 7 MK8 HD 1 1
4 882 1 1 8 . HDA H -0.079 4.642 2.197 1.00 . A A . 7 MK8 HDA 1 1
4 883 1 1 8 . HE H -0.618 5.755 4.390 1.00 . A A . 7 MK8 HE 1 1
4 884 1 1 8 . HG H 1.618 3.846 3.549 1.00 . A A . 7 MK8 HG 1 1
4 885 1 1 8 . HGA H 0.580 2.768 4.431 1.00 . A A . 7 MK8 HGA 1 1
4 886 1 1 8 . HN H 1.572 0.109 0.881 1.00 . A A . 7 MK8 HN 1 1
4 887 1 1 8 . N N 0.810 -0.211 1.399 1.00 . A A . 7 MK8 N 1 1
4 888 1 1 8 . O O -1.954 1.027 3.409 1.00 . A A . 7 MK8 O 1 1
4 889 1 1 9 ARG C C -4.073 0.332 0.814 1.00 . A A . 8 ARG C 1 1
4 890 1 1 9 ARG CA C -3.089 1.501 0.745 1.00 . A A . 8 ARG CA 1 1
4 891 1 1 9 ARG CB C -3.166 2.130 -0.659 1.00 . A A . 8 ARG CB 1 1
4 892 1 1 9 ARG CD C -2.750 4.184 -2.065 1.00 . A A . 8 ARG CD 1 1
4 893 1 1 9 ARG CG C -2.421 3.451 -0.769 1.00 . A A . 8 ARG CG 1 1
4 894 1 1 9 ARG CZ C -1.957 6.258 -3.332 1.00 . A A . 8 ARG CZ 1 1
4 895 1 1 9 ARG H H -1.015 1.121 0.359 1.00 . A A . 8 ARG H 1 1
4 896 1 1 9 ARG HA H -3.414 2.248 1.453 1.00 . A A . 8 ARG HA 1 1
4 897 1 1 9 ARG HB2 H -2.753 1.445 -1.383 1.00 . A A . 8 ARG HB2 1 1
4 898 1 1 9 ARG HB3 H -4.206 2.315 -0.906 1.00 . A A . 8 ARG HB3 1 1
4 899 1 1 9 ARG HD2 H -2.566 3.525 -2.900 1.00 . A A . 8 ARG HD2 1 1
4 900 1 1 9 ARG HD3 H -3.793 4.465 -2.048 1.00 . A A . 8 ARG HD3 1 1
4 901 1 1 9 ARG HE H -1.331 5.630 -1.500 1.00 . A A . 8 ARG HE 1 1
4 902 1 1 9 ARG HG2 H -2.691 4.074 0.074 1.00 . A A . 8 ARG HG2 1 1
4 903 1 1 9 ARG HG3 H -1.355 3.255 -0.737 1.00 . A A . 8 ARG HG3 1 1
4 904 1 1 9 ARG HH11 H -3.389 5.280 -4.413 1.00 . A A . 8 ARG HH11 1 1
4 905 1 1 9 ARG HH12 H -2.741 6.702 -5.163 1.00 . A A . 8 ARG HH12 1 1
4 906 1 1 9 ARG HH21 H -0.547 7.482 -2.546 1.00 . A A . 8 ARG HH21 1 1
4 907 1 1 9 ARG HH22 H -1.146 7.946 -4.109 1.00 . A A . 8 ARG HH22 1 1
4 908 1 1 9 ARG N N -1.676 1.132 1.088 1.00 . A A . 8 ARG N 1 1
4 909 1 1 9 ARG NE N -1.937 5.409 -2.237 1.00 . A A . 8 ARG NE 1 1
4 910 1 1 9 ARG NH1 N -2.763 6.063 -4.394 1.00 . A A . 8 ARG NH1 1 1
4 911 1 1 9 ARG NH2 N -1.152 7.313 -3.329 1.00 . A A . 8 ARG NH2 1 1
4 912 1 1 9 ARG O O -5.224 0.570 1.247 1.00 . A A . 8 ARG O 1 1
4 913 1 1 10 LEU C C -4.753 -2.606 1.809 1.00 . A A . 9 LEU C 1 1
4 914 1 1 10 LEU CA C -4.459 -2.124 0.383 1.00 . A A . 9 LEU CA 1 1
4 915 1 1 10 LEU CB C -3.759 -3.243 -0.410 1.00 . A A . 9 LEU CB 1 1
4 916 1 1 10 LEU CD1 C -5.326 -4.102 -2.194 1.00 . A A . 9 LEU CD1 1 1
4 917 1 1 10 LEU CD2 C -3.886 -5.710 -0.926 1.00 . A A . 9 LEU CD2 1 1
4 918 1 1 10 LEU CG C -4.667 -4.403 -0.858 1.00 . A A . 9 LEU CG 1 1
4 919 1 1 10 LEU H H -2.715 -0.975 0.057 1.00 . A A . 9 LEU H 1 1
4 920 1 1 10 LEU HA H -5.388 -1.883 -0.104 1.00 . A A . 9 LEU HA 1 1
4 921 1 1 10 LEU HB2 H -3.302 -2.804 -1.283 1.00 . A A . 9 LEU HB2 1 1
4 922 1 1 10 LEU HB3 H -2.977 -3.656 0.205 1.00 . A A . 9 LEU HB3 1 1
4 923 1 1 10 LEU HD11 H -4.650 -4.368 -2.998 1.00 . A A . 9 LEU HD11 1 1
4 924 1 1 10 LEU HD12 H -5.557 -3.048 -2.245 1.00 . A A . 9 LEU HD12 1 1
4 925 1 1 10 LEU HD13 H -6.230 -4.681 -2.279 1.00 . A A . 9 LEU HD13 1 1
4 926 1 1 10 LEU HD21 H -3.107 -5.626 -1.662 1.00 . A A . 9 LEU HD21 1 1
4 927 1 1 10 LEU HD22 H -4.548 -6.515 -1.207 1.00 . A A . 9 LEU HD22 1 1
4 928 1 1 10 LEU HD23 H -3.447 -5.928 0.038 1.00 . A A . 9 LEU HD23 1 1
4 929 1 1 10 LEU HG H -5.450 -4.522 -0.133 1.00 . A A . 9 LEU HG 1 1
4 930 1 1 10 LEU N N -3.623 -0.904 0.394 1.00 . A A . 9 LEU N 1 1
4 931 1 1 10 LEU O O -5.809 -3.231 2.035 1.00 . A A . 9 LEU O 1 1
4 932 1 1 11 LEU C C -4.851 -1.861 4.972 1.00 . A A . 10 LEU C 1 1
4 933 1 1 11 LEU CA C -3.854 -2.720 4.170 1.00 . A A . 10 LEU CA 1 1
4 934 1 1 11 LEU CB C -2.437 -2.629 4.805 1.00 . A A . 10 LEU CB 1 1
4 935 1 1 11 LEU CD1 C -2.028 -4.784 6.084 1.00 . A A . 10 LEU CD1 1 1
4 936 1 1 11 LEU CD2 C -1.129 -2.619 6.952 1.00 . A A . 10 LEU CD2 1 1
4 937 1 1 11 LEU CG C -2.263 -3.286 6.193 1.00 . A A . 10 LEU CG 1 1
4 938 1 1 11 LEU H H -2.979 -1.848 2.431 1.00 . A A . 10 LEU H 1 1
4 939 1 1 11 LEU HA H -4.184 -3.750 4.206 1.00 . A A . 10 LEU HA 1 1
4 940 1 1 11 LEU HB2 H -1.738 -3.092 4.126 1.00 . A A . 10 LEU HB2 1 1
4 941 1 1 11 LEU HB3 H -2.176 -1.586 4.901 1.00 . A A . 10 LEU HB3 1 1
4 942 1 1 11 LEU HD11 H -0.994 -4.963 5.835 1.00 . A A . 10 LEU HD11 1 1
4 943 1 1 11 LEU HD12 H -2.662 -5.192 5.310 1.00 . A A . 10 LEU HD12 1 1
4 944 1 1 11 LEU HD13 H -2.257 -5.259 7.023 1.00 . A A . 10 LEU HD13 1 1
4 945 1 1 11 LEU HD21 H -1.339 -2.643 8.010 1.00 . A A . 10 LEU HD21 1 1
4 946 1 1 11 LEU HD22 H -1.039 -1.594 6.622 1.00 . A A . 10 LEU HD22 1 1
4 947 1 1 11 LEU HD23 H -0.209 -3.146 6.752 1.00 . A A . 10 LEU HD23 1 1
4 948 1 1 11 LEU HG H -3.169 -3.144 6.757 1.00 . A A . 10 LEU HG 1 1
4 949 1 1 11 LEU N N -3.787 -2.316 2.745 1.00 . A A . 10 LEU N 1 1
4 950 1 1 11 LEU O O -5.776 -2.413 5.581 1.00 . A A . 10 LEU O 1 1
4 951 1 1 12 . C C -7.004 0.307 5.299 1.00 . A A . 11 MK8 C 1 1
4 952 1 1 12 . CA C -5.503 0.519 5.704 1.00 . A A . 11 MK8 CA 1 1
4 953 1 1 12 . CB C -5.155 2.001 5.291 1.00 . A A . 11 MK8 CB 1 1
4 954 1 1 12 . CB1 C -5.339 0.340 7.252 1.00 . A A . 11 MK8 CB1 1 1
4 955 1 1 12 . CD C -3.447 3.578 4.274 1.00 . A A . 11 MK8 CD 1 1
4 956 1 1 12 . CE C -2.425 4.715 4.572 1.00 . A A . 11 MK8 CE 1 1
4 957 1 1 12 . CG C -3.680 2.487 5.320 1.00 . A A . 11 MK8 CG 1 1
4 958 1 1 12 . HB H -5.709 2.649 5.952 1.00 . A A . 11 MK8 HB 1 1
4 959 1 1 12 . HB1 H -4.331 0.612 7.538 1.00 . A A . 11 MK8 HB1 1 1
4 960 1 1 12 . HB1A H -5.526 -0.693 7.521 1.00 . A A . 11 MK8 HB1A 1 1
4 961 1 1 12 . HB1B H -6.049 0.977 7.771 1.00 . A A . 11 MK8 HB1B 1 1
4 962 1 1 12 . HBA H -5.523 2.160 4.290 1.00 . A A . 11 MK8 HBA 1 1
4 963 1 1 12 . HD H -4.406 4.046 4.072 1.00 . A A . 11 MK8 HD 1 1
4 964 1 1 12 . HDA H -3.120 3.095 3.372 1.00 . A A . 11 MK8 HDA 1 1
4 965 1 1 12 . HE H -2.744 5.458 5.281 1.00 . A A . 11 MK8 HE 1 1
4 966 1 1 12 . HG H -3.017 1.666 5.129 1.00 . A A . 11 MK8 HG 1 1
4 967 1 1 12 . HGA H -3.469 2.891 6.300 1.00 . A A . 11 MK8 HGA 1 1
4 968 1 1 12 . HN H -3.880 -0.152 4.453 1.00 . A A . 11 MK8 HN 1 1
4 969 1 1 12 . N N -4.637 -0.487 4.964 1.00 . A A . 11 MK8 N 1 1
4 970 1 1 12 . O O -7.932 0.844 5.960 1.00 . A A . 11 MK8 O 1 1
4 971 1 1 13 ASP C C -9.340 -1.691 4.525 1.00 . A A . 12 ASP C 1 1
4 972 1 1 13 ASP CA C -8.535 -0.779 3.596 1.00 . A A . 12 ASP CA 1 1
4 973 1 1 13 ASP CB C -8.390 -1.423 2.204 1.00 . A A . 12 ASP CB 1 1
4 974 1 1 13 ASP CG C -8.545 -0.413 1.083 1.00 . A A . 12 ASP CG 1 1
4 975 1 1 13 ASP H H -6.402 -0.816 3.707 1.00 . A A . 12 ASP H 1 1
4 976 1 1 13 ASP HA H -9.063 0.156 3.503 1.00 . A A . 12 ASP HA 1 1
4 977 1 1 13 ASP HB2 H -7.405 -1.859 2.124 1.00 . A A . 12 ASP HB2 1 1
4 978 1 1 13 ASP HB3 H -9.134 -2.196 2.081 1.00 . A A . 12 ASP HB3 1 1
4 979 1 1 13 ASP N N -7.199 -0.464 4.168 1.00 . A A . 12 ASP N 1 1
4 980 1 1 13 ASP O O -10.500 -1.378 4.842 1.00 . A A . 12 ASP O 1 1
4 981 1 1 13 ASP OD1 O -7.789 0.571 1.065 1.00 . A A . 12 ASP OD1 1 1
4 982 1 1 13 ASP OD2 O -9.430 -0.615 0.222 1.00 . A A . 12 ASP OD2 1 1
4 983 1 1 14 SER C C -9.331 -3.341 7.279 1.00 . A A . 13 SER C 1 1
4 984 1 1 14 SER CA C -9.258 -3.848 5.844 1.00 . A A . 13 SER CA 1 1
4 985 1 1 14 SER CB C -8.432 -5.128 5.789 1.00 . A A . 13 SER CB 1 1
4 986 1 1 14 SER H H -7.760 -2.964 4.630 1.00 . A A . 13 SER H 1 1
4 987 1 1 14 SER HA H -10.259 -4.065 5.498 1.00 . A A . 13 SER HA 1 1
4 988 1 1 14 SER HB2 H -7.421 -4.909 6.082 1.00 . A A . 13 SER HB2 1 1
4 989 1 1 14 SER HB3 H -8.851 -5.869 6.467 1.00 . A A . 13 SER HB3 1 1
4 990 1 1 14 SER HG H -8.534 -4.952 3.846 1.00 . A A . 13 SER HG 1 1
4 991 1 1 14 SER N N -8.679 -2.826 4.946 1.00 . A A . 13 SER N 1 1
4 992 1 1 14 SER O O -10.359 -3.440 7.936 1.00 . A A . 13 SER O 1 1
4 993 1 1 14 SER OG O -8.414 -5.661 4.480 1.00 . A A . 13 SER OG 1 1
4 994 1 1 15 NH2 HN1 H -7.449 -2.710 7.179 1.00 . A A . 14 NH2 HN1 1 1
4 995 1 1 15 NH2 HN2 H -8.243 -2.470 8.695 1.00 . A A . 14 NH2 HN2 1 1
4 996 1 1 15 NH2 N N -8.231 -2.778 7.763 1.00 . A A . 14 NH2 N 1 1
5 997 1 1 1 ACE C C 6.767 2.249 -7.884 1.00 . A A . 0 ACE C 1 1
5 998 1 1 1 ACE CH3 C 6.688 2.306 -9.393 1.00 . A A . 0 ACE CH3 1 1
5 999 1 1 1 ACE H1 H 6.159 3.200 -9.678 1.00 . A A . 0 ACE H1 1 1
5 1000 1 1 1 ACE H2 H 6.159 1.440 -9.764 1.00 . A A . 0 ACE H2 1 1
5 1001 1 1 1 ACE H3 H 7.688 2.333 -9.809 1.00 . A A . 0 ACE H3 1 1
5 1002 1 1 1 ACE O O 7.673 1.589 -7.343 1.00 . A A . 0 ACE O 1 1
5 1003 1 1 2 GLU C C 5.180 1.669 -5.171 1.00 . A A . 1 GLU C 1 1
5 1004 1 1 2 GLU CA C 5.675 3.020 -5.733 1.00 . A A . 1 GLU CA 1 1
5 1005 1 1 2 GLU CB C 4.774 4.201 -5.295 1.00 . A A . 1 GLU CB 1 1
5 1006 1 1 2 GLU CD C 6.582 5.827 -4.462 1.00 . A A . 1 GLU CD 1 1
5 1007 1 1 2 GLU CG C 5.405 5.593 -5.420 1.00 . A A . 1 GLU CG 1 1
5 1008 1 1 2 GLU H H 5.123 3.420 -7.757 1.00 . A A . 1 GLU H 1 1
5 1009 1 1 2 GLU HA H 6.677 3.187 -5.347 1.00 . A A . 1 GLU HA 1 1
5 1010 1 1 2 GLU HB2 H 3.877 4.183 -5.895 1.00 . A A . 1 GLU HB2 1 1
5 1011 1 1 2 GLU HB3 H 4.502 4.052 -4.261 1.00 . A A . 1 GLU HB3 1 1
5 1012 1 1 2 GLU HG2 H 5.754 5.725 -6.428 1.00 . A A . 1 GLU HG2 1 1
5 1013 1 1 2 GLU HG3 H 4.638 6.337 -5.212 1.00 . A A . 1 GLU HG3 1 1
5 1014 1 1 2 GLU N N 5.789 2.951 -7.216 1.00 . A A . 1 GLU N 1 1
5 1015 1 1 2 GLU O O 3.957 1.377 -5.150 1.00 . A A . 1 GLU O 1 1
5 1016 1 1 2 GLU OE1 O 6.371 5.745 -3.231 1.00 . A A . 1 GLU OE1 1 1
5 1017 1 1 2 GLU OE2 O 7.708 6.075 -4.940 1.00 . A A . 1 GLU OE2 1 1
5 1018 1 1 3 LYS C C 5.428 -0.506 -2.765 1.00 . A A . 2 LYS C 1 1
5 1019 1 1 3 LYS CA C 5.980 -0.528 -4.198 1.00 . A A . 2 LYS CA 1 1
5 1020 1 1 3 LYS CB C 7.305 -1.324 -4.244 1.00 . A A . 2 LYS CB 1 1
5 1021 1 1 3 LYS CD C 8.487 -3.558 -4.128 1.00 . A A . 2 LYS CD 1 1
5 1022 1 1 3 LYS CE C 8.325 -5.071 -4.030 1.00 . A A . 2 LYS CE 1 1
5 1023 1 1 3 LYS CG C 7.142 -2.838 -4.138 1.00 . A A . 2 LYS CG 1 1
5 1024 1 1 3 LYS H H 7.116 1.158 -4.835 1.00 . A A . 2 LYS H 1 1
5 1025 1 1 3 LYS HA H 5.260 -1.022 -4.832 1.00 . A A . 2 LYS HA 1 1
5 1026 1 1 3 LYS HB2 H 7.810 -1.108 -5.174 1.00 . A A . 2 LYS HB2 1 1
5 1027 1 1 3 LYS HB3 H 7.939 -0.998 -3.428 1.00 . A A . 2 LYS HB3 1 1
5 1028 1 1 3 LYS HD2 H 9.016 -3.322 -5.034 1.00 . A A . 2 LYS HD2 1 1
5 1029 1 1 3 LYS HD3 H 9.064 -3.216 -3.275 1.00 . A A . 2 LYS HD3 1 1
5 1030 1 1 3 LYS HE2 H 9.303 -5.525 -3.965 1.00 . A A . 2 LYS HE2 1 1
5 1031 1 1 3 LYS HE3 H 7.766 -5.292 -3.139 1.00 . A A . 2 LYS HE3 1 1
5 1032 1 1 3 LYS HG2 H 6.612 -3.068 -3.229 1.00 . A A . 2 LYS HG2 1 1
5 1033 1 1 3 LYS HG3 H 6.568 -3.189 -4.984 1.00 . A A . 2 LYS HG3 1 1
5 1034 1 1 3 LYS HZ1 H 7.620 -4.969 -5.994 1.00 . A A . 2 LYS HZ1 1 1
5 1035 1 1 3 LYS HZ2 H 6.620 -5.842 -4.949 1.00 . A A . 2 LYS HZ2 1 1
5 1036 1 1 3 LYS HZ3 H 8.067 -6.525 -5.502 1.00 . A A . 2 LYS HZ3 1 1
5 1037 1 1 3 LYS N N 6.193 0.835 -4.746 1.00 . A A . 2 LYS N 1 1
5 1038 1 1 3 LYS NZ N 7.606 -5.643 -5.201 1.00 . A A . 2 LYS NZ 1 1
5 1039 1 1 3 LYS O O 4.429 -1.198 -2.473 1.00 . A A . 2 LYS O 1 1
5 1040 1 1 4 HIS C C 4.442 1.158 -0.222 1.00 . A A . 3 HIS C 1 1
5 1041 1 1 4 HIS CA C 5.769 0.426 -0.434 1.00 . A A . 3 HIS CA 1 1
5 1042 1 1 4 HIS CB C 6.936 1.134 0.296 1.00 . A A . 3 HIS CB 1 1
5 1043 1 1 4 HIS CD2 C 6.842 2.033 2.723 1.00 . A A . 3 HIS CD2 1 1
5 1044 1 1 4 HIS CE1 C 6.943 0.113 3.781 1.00 . A A . 3 HIS CE1 1 1
5 1045 1 1 4 HIS CG C 6.909 1.053 1.798 1.00 . A A . 3 HIS CG 1 1
5 1046 1 1 4 HIS H H 6.867 0.819 -2.216 1.00 . A A . 3 HIS H 1 1
5 1047 1 1 4 HIS HA H 5.673 -0.575 -0.036 1.00 . A A . 3 HIS HA 1 1
5 1048 1 1 4 HIS HB2 H 7.866 0.688 -0.020 1.00 . A A . 3 HIS HB2 1 1
5 1049 1 1 4 HIS HB3 H 6.939 2.173 0.026 1.00 . A A . 3 HIS HB3 1 1
5 1050 1 1 4 HIS HD1 H 7.030 -1.030 2.099 1.00 . A A . 3 HIS HD1 1 1
5 1051 1 1 4 HIS HD2 H 6.788 3.098 2.526 1.00 . A A . 3 HIS HD2 1 1
5 1052 1 1 4 HIS HE1 H 6.989 -0.630 4.561 1.00 . A A . 3 HIS HE1 1 1
5 1053 1 1 4 HIS HE2 H 6.741 1.862 4.821 1.00 . A A . 3 HIS HE2 1 1
5 1054 1 1 4 HIS N N 6.099 0.313 -1.878 1.00 . A A . 3 HIS N 1 1
5 1055 1 1 4 HIS ND1 N 6.971 -0.134 2.491 1.00 . A A . 3 HIS ND1 1 1
5 1056 1 1 4 HIS NE2 N 6.870 1.419 3.954 1.00 . A A . 3 HIS NE2 1 1
5 1057 1 1 4 HIS O O 3.703 0.746 0.686 1.00 . A A . 3 HIS O 1 1
5 1058 1 1 5 LYS C C 1.649 2.154 -1.362 1.00 . A A . 4 LYS C 1 1
5 1059 1 1 5 LYS CA C 2.886 2.989 -1.010 1.00 . A A . 4 LYS CA 1 1
5 1060 1 1 5 LYS CB C 2.963 4.229 -1.899 1.00 . A A . 4 LYS CB 1 1
5 1061 1 1 5 LYS CD C 3.752 6.588 -2.110 1.00 . A A . 4 LYS CD 1 1
5 1062 1 1 5 LYS CE C 4.715 7.641 -1.602 1.00 . A A . 4 LYS CE 1 1
5 1063 1 1 5 LYS CG C 3.932 5.276 -1.381 1.00 . A A . 4 LYS CG 1 1
5 1064 1 1 5 LYS H H 4.787 2.428 -1.779 1.00 . A A . 4 LYS H 1 1
5 1065 1 1 5 LYS HA H 2.777 3.309 0.010 1.00 . A A . 4 LYS HA 1 1
5 1066 1 1 5 LYS HB2 H 3.281 3.930 -2.886 1.00 . A A . 4 LYS HB2 1 1
5 1067 1 1 5 LYS HB3 H 1.982 4.674 -1.962 1.00 . A A . 4 LYS HB3 1 1
5 1068 1 1 5 LYS HD2 H 3.913 6.428 -3.163 1.00 . A A . 4 LYS HD2 1 1
5 1069 1 1 5 LYS HD3 H 2.739 6.926 -1.945 1.00 . A A . 4 LYS HD3 1 1
5 1070 1 1 5 LYS HE2 H 4.518 7.800 -0.550 1.00 . A A . 4 LYS HE2 1 1
5 1071 1 1 5 LYS HE3 H 5.726 7.284 -1.730 1.00 . A A . 4 LYS HE3 1 1
5 1072 1 1 5 LYS HG2 H 3.745 5.434 -0.332 1.00 . A A . 4 LYS HG2 1 1
5 1073 1 1 5 LYS HG3 H 4.944 4.926 -1.523 1.00 . A A . 4 LYS HG3 1 1
5 1074 1 1 5 LYS HZ1 H 3.701 8.913 -2.911 1.00 . A A . 4 LYS HZ1 1 1
5 1075 1 1 5 LYS HZ2 H 5.380 9.085 -2.955 1.00 . A A . 4 LYS HZ2 1 1
5 1076 1 1 5 LYS HZ3 H 4.503 9.719 -1.662 1.00 . A A . 4 LYS HZ3 1 1
5 1077 1 1 5 LYS N N 4.142 2.201 -1.082 1.00 . A A . 4 LYS N 1 1
5 1078 1 1 5 LYS NZ N 4.565 8.931 -2.330 1.00 . A A . 4 LYS NZ 1 1
5 1079 1 1 5 LYS O O 0.630 2.245 -0.641 1.00 . A A . 4 LYS O 1 1
5 1080 1 1 6 ILE C C 0.270 -0.643 -1.933 1.00 . A A . 5 ILE C 1 1
5 1081 1 1 6 ILE CA C 0.647 0.462 -2.967 1.00 . A A . 5 ILE CA 1 1
5 1082 1 1 6 ILE CB C 0.979 -0.107 -4.420 1.00 . A A . 5 ILE CB 1 1
5 1083 1 1 6 ILE CD1 C -1.193 0.178 -5.756 1.00 . A A . 5 ILE CD1 1 1
5 1084 1 1 6 ILE CG1 C -0.239 -0.786 -5.081 1.00 . A A . 5 ILE CG1 1 1
5 1085 1 1 6 ILE CG2 C 2.187 -1.052 -4.458 1.00 . A A . 5 ILE CG2 1 1
5 1086 1 1 6 ILE H H 2.606 1.302 -2.943 1.00 . A A . 5 ILE H 1 1
5 1087 1 1 6 ILE HA H -0.203 1.120 -3.073 1.00 . A A . 5 ILE HA 1 1
5 1088 1 1 6 ILE HB H 1.244 0.743 -5.029 1.00 . A A . 5 ILE HB 1 1
5 1089 1 1 6 ILE HD11 H -0.929 0.274 -6.795 1.00 . A A . 5 ILE HD11 1 1
5 1090 1 1 6 ILE HD12 H -1.118 1.138 -5.279 1.00 . A A . 5 ILE HD12 1 1
5 1091 1 1 6 ILE HD13 H -2.203 -0.197 -5.668 1.00 . A A . 5 ILE HD13 1 1
5 1092 1 1 6 ILE HG12 H 0.108 -1.486 -5.827 1.00 . A A . 5 ILE HG12 1 1
5 1093 1 1 6 ILE HG13 H -0.799 -1.316 -4.322 1.00 . A A . 5 ILE HG13 1 1
5 1094 1 1 6 ILE HG21 H 2.556 -1.120 -5.471 1.00 . A A . 5 ILE HG21 1 1
5 1095 1 1 6 ILE HG22 H 1.892 -2.035 -4.116 1.00 . A A . 5 ILE HG22 1 1
5 1096 1 1 6 ILE HG23 H 2.963 -0.660 -3.825 1.00 . A A . 5 ILE HG23 1 1
5 1097 1 1 6 ILE N N 1.761 1.315 -2.463 1.00 . A A . 5 ILE N 1 1
5 1098 1 1 6 ILE O O -0.938 -0.910 -1.749 1.00 . A A . 5 ILE O 1 1
5 1099 1 1 7 LEU C C 0.363 -1.741 0.985 1.00 . A A . 6 LEU C 1 1
5 1100 1 1 7 LEU CA C 1.145 -2.279 -0.224 1.00 . A A . 6 LEU CA 1 1
5 1101 1 1 7 LEU CB C 2.521 -2.817 0.214 1.00 . A A . 6 LEU CB 1 1
5 1102 1 1 7 LEU CD1 C 2.493 -5.346 0.075 1.00 . A A . 6 LEU CD1 1 1
5 1103 1 1 7 LEU CD2 C 3.753 -4.202 1.908 1.00 . A A . 6 LEU CD2 1 1
5 1104 1 1 7 LEU CG C 2.529 -4.135 1.003 1.00 . A A . 6 LEU CG 1 1
5 1105 1 1 7 LEU H H 2.223 -0.939 -1.450 1.00 . A A . 6 LEU H 1 1
5 1106 1 1 7 LEU HA H 0.573 -3.080 -0.668 1.00 . A A . 6 LEU HA 1 1
5 1107 1 1 7 LEU HB2 H 3.119 -2.959 -0.674 1.00 . A A . 6 LEU HB2 1 1
5 1108 1 1 7 LEU HB3 H 2.994 -2.062 0.822 1.00 . A A . 6 LEU HB3 1 1
5 1109 1 1 7 LEU HD11 H 1.502 -5.783 0.093 1.00 . A A . 6 LEU HD11 1 1
5 1110 1 1 7 LEU HD12 H 3.217 -6.076 0.402 1.00 . A A . 6 LEU HD12 1 1
5 1111 1 1 7 LEU HD13 H 2.731 -5.037 -0.936 1.00 . A A . 6 LEU HD13 1 1
5 1112 1 1 7 LEU HD21 H 4.251 -5.145 1.757 1.00 . A A . 6 LEU HD21 1 1
5 1113 1 1 7 LEU HD22 H 3.444 -4.120 2.940 1.00 . A A . 6 LEU HD22 1 1
5 1114 1 1 7 LEU HD23 H 4.426 -3.395 1.667 1.00 . A A . 6 LEU HD23 1 1
5 1115 1 1 7 LEU HG H 1.654 -4.171 1.629 1.00 . A A . 6 LEU HG 1 1
5 1116 1 1 7 LEU N N 1.318 -1.229 -1.245 1.00 . A A . 6 LEU N 1 1
5 1117 1 1 7 LEU O O -0.624 -2.376 1.399 1.00 . A A . 6 LEU O 1 1
5 1118 1 1 8 . C C -1.394 0.345 2.499 1.00 . A A . 7 MK8 C 1 1
5 1119 1 1 8 . CA C 0.142 0.101 2.789 1.00 . A A . 7 MK8 CA 1 1
5 1120 1 1 8 . CB C 0.840 1.516 3.040 1.00 . A A . 7 MK8 CB 1 1
5 1121 1 1 8 . CB1 C 0.408 -0.860 4.035 1.00 . A A . 7 MK8 CB1 1 1
5 1122 1 1 8 . CD C -0.064 3.863 3.788 1.00 . A A . 7 MK8 CD 1 1
5 1123 1 1 8 . CE C -1.570 4.314 3.711 1.00 . A A . 7 MK8 CE 1 1
5 1124 1 1 8 . CG C 0.306 2.448 4.206 1.00 . A A . 7 MK8 CG 1 1
5 1125 1 1 8 . HB H 0.796 2.079 2.117 1.00 . A A . 7 MK8 HB 1 1
5 1126 1 1 8 . HB1 H 0.425 -0.273 4.942 1.00 . A A . 7 MK8 HB1 1 1
5 1127 1 1 8 . HB1A H 1.365 -1.344 3.911 1.00 . A A . 7 MK8 HB1A 1 1
5 1128 1 1 8 . HB1B H -0.379 -1.607 4.092 1.00 . A A . 7 MK8 HB1B 1 1
5 1129 1 1 8 . HBA H 1.877 1.322 3.261 1.00 . A A . 7 MK8 HBA 1 1
5 1130 1 1 8 . HD H 0.385 4.023 2.817 1.00 . A A . 7 MK8 HD 1 1
5 1131 1 1 8 . HDA H 0.425 4.532 4.485 1.00 . A A . 7 MK8 HDA 1 1
5 1132 1 1 8 . HE H -1.826 4.930 2.865 1.00 . A A . 7 MK8 HE 1 1
5 1133 1 1 8 . HG H 1.070 2.510 4.950 1.00 . A A . 7 MK8 HG 1 1
5 1134 1 1 8 . HGA H -0.556 1.986 4.640 1.00 . A A . 7 MK8 HGA 1 1
5 1135 1 1 8 . HN H 1.557 -0.092 1.177 1.00 . A A . 7 MK8 HN 1 1
5 1136 1 1 8 . N N 0.792 -0.543 1.575 1.00 . A A . 7 MK8 N 1 1
5 1137 1 1 8 . O O -2.230 0.278 3.428 1.00 . A A . 7 MK8 O 1 1
5 1138 1 1 9 ARG C C -4.055 -0.103 0.640 1.00 . A A . 8 ARG C 1 1
5 1139 1 1 9 ARG CA C -3.122 1.096 0.761 1.00 . A A . 8 ARG CA 1 1
5 1140 1 1 9 ARG CB C -3.093 1.863 -0.576 1.00 . A A . 8 ARG CB 1 1
5 1141 1 1 9 ARG CD C -2.624 4.023 -1.803 1.00 . A A . 8 ARG CD 1 1
5 1142 1 1 9 ARG CG C -2.557 3.280 -0.474 1.00 . A A . 8 ARG CG 1 1
5 1143 1 1 9 ARG CZ C -2.754 6.492 -1.146 1.00 . A A . 8 ARG CZ 1 1
5 1144 1 1 9 ARG H H -1.001 0.844 0.537 1.00 . A A . 8 ARG H 1 1
5 1145 1 1 9 ARG HA H -3.526 1.745 1.520 1.00 . A A . 8 ARG HA 1 1
5 1146 1 1 9 ARG HB2 H -2.457 1.324 -1.266 1.00 . A A . 8 ARG HB2 1 1
5 1147 1 1 9 ARG HB3 H -4.091 1.902 -0.971 1.00 . A A . 8 ARG HB3 1 1
5 1148 1 1 9 ARG HD2 H -2.043 3.484 -2.534 1.00 . A A . 8 ARG HD2 1 1
5 1149 1 1 9 ARG HD3 H -3.657 4.074 -2.124 1.00 . A A . 8 ARG HD3 1 1
5 1150 1 1 9 ARG HE H -1.177 5.533 -1.987 1.00 . A A . 8 ARG HE 1 1
5 1151 1 1 9 ARG HG2 H -3.134 3.821 0.256 1.00 . A A . 8 ARG HG2 1 1
5 1152 1 1 9 ARG HG3 H -1.524 3.235 -0.156 1.00 . A A . 8 ARG HG3 1 1
5 1153 1 1 9 ARG HH11 H -4.537 5.580 -0.781 1.00 . A A . 8 ARG HH11 1 1
5 1154 1 1 9 ARG HH12 H -4.474 7.264 -0.377 1.00 . A A . 8 ARG HH12 1 1
5 1155 1 1 9 ARG HH21 H -1.159 7.725 -1.353 1.00 . A A . 8 ARG HH21 1 1
5 1156 1 1 9 ARG HH22 H -2.576 8.452 -0.670 1.00 . A A . 8 ARG HH22 1 1
5 1157 1 1 9 ARG N N -1.732 0.720 1.188 1.00 . A A . 8 ARG N 1 1
5 1158 1 1 9 ARG NE N -2.096 5.399 -1.681 1.00 . A A . 8 ARG NE 1 1
5 1159 1 1 9 ARG NH1 N -4.026 6.437 -0.724 1.00 . A A . 8 ARG NH1 1 1
5 1160 1 1 9 ARG NH2 N -2.111 7.652 -1.048 1.00 . A A . 8 ARG NH2 1 1
5 1161 1 1 9 ARG O O -5.271 0.071 0.936 1.00 . A A . 8 ARG O 1 1
5 1162 1 1 10 LEU C C -4.634 -3.042 1.531 1.00 . A A . 9 LEU C 1 1
5 1163 1 1 10 LEU CA C -4.253 -2.552 0.117 1.00 . A A . 9 LEU CA 1 1
5 1164 1 1 10 LEU CB C -3.396 -3.622 -0.643 1.00 . A A . 9 LEU CB 1 1
5 1165 1 1 10 LEU CD1 C -4.484 -5.886 0.049 1.00 . A A . 9 LEU CD1 1 1
5 1166 1 1 10 LEU CD2 C -5.157 -4.837 -2.150 1.00 . A A . 9 LEU CD2 1 1
5 1167 1 1 10 LEU CG C -4.024 -4.996 -1.110 1.00 . A A . 9 LEU CG 1 1
5 1168 1 1 10 LEU H H -2.553 -1.312 0.015 1.00 . A A . 9 LEU H 1 1
5 1169 1 1 10 LEU HA H -5.148 -2.329 -0.447 1.00 . A A . 9 LEU HA 1 1
5 1170 1 1 10 LEU HB2 H -3.012 -3.142 -1.526 1.00 . A A . 9 LEU HB2 1 1
5 1171 1 1 10 LEU HB3 H -2.548 -3.860 -0.003 1.00 . A A . 9 LEU HB3 1 1
5 1172 1 1 10 LEU HD11 H -3.682 -6.548 0.340 1.00 . A A . 9 LEU HD11 1 1
5 1173 1 1 10 LEU HD12 H -5.337 -6.464 -0.266 1.00 . A A . 9 LEU HD12 1 1
5 1174 1 1 10 LEU HD13 H -4.759 -5.262 0.887 1.00 . A A . 9 LEU HD13 1 1
5 1175 1 1 10 LEU HD21 H -5.279 -3.793 -2.404 1.00 . A A . 9 LEU HD21 1 1
5 1176 1 1 10 LEU HD22 H -6.080 -5.211 -1.736 1.00 . A A . 9 LEU HD22 1 1
5 1177 1 1 10 LEU HD23 H -4.913 -5.394 -3.040 1.00 . A A . 9 LEU HD23 1 1
5 1178 1 1 10 LEU HG H -3.231 -5.537 -1.606 1.00 . A A . 9 LEU HG 1 1
5 1179 1 1 10 LEU N N -3.495 -1.300 0.243 1.00 . A A . 9 LEU N 1 1
5 1180 1 1 10 LEU O O -5.714 -3.627 1.720 1.00 . A A . 9 LEU O 1 1
5 1181 1 1 11 LEU C C -4.778 -2.237 4.739 1.00 . A A . 10 LEU C 1 1
5 1182 1 1 11 LEU CA C -3.831 -3.169 3.933 1.00 . A A . 10 LEU CA 1 1
5 1183 1 1 11 LEU CB C -2.438 -3.220 4.591 1.00 . A A . 10 LEU CB 1 1
5 1184 1 1 11 LEU CD1 C -2.245 -5.430 5.837 1.00 . A A . 10 LEU CD1 1 1
5 1185 1 1 11 LEU CD2 C -1.118 -3.380 6.727 1.00 . A A . 10 LEU CD2 1 1
5 1186 1 1 11 LEU CG C -2.331 -3.910 5.968 1.00 . A A . 10 LEU CG 1 1
5 1187 1 1 11 LEU H H -2.864 -2.343 2.244 1.00 . A A . 10 LEU H 1 1
5 1188 1 1 11 LEU HA H -4.247 -4.164 3.950 1.00 . A A . 10 LEU HA 1 1
5 1189 1 1 11 LEU HB2 H -1.777 -3.727 3.906 1.00 . A A . 10 LEU HB2 1 1
5 1190 1 1 11 LEU HB3 H -2.089 -2.208 4.700 1.00 . A A . 10 LEU HB3 1 1
5 1191 1 1 11 LEU HD11 H -2.976 -5.889 6.483 1.00 . A A . 10 LEU HD11 1 1
5 1192 1 1 11 LEU HD12 H -1.259 -5.751 6.130 1.00 . A A . 10 LEU HD12 1 1
5 1193 1 1 11 LEU HD13 H -2.429 -5.725 4.810 1.00 . A A . 10 LEU HD13 1 1
5 1194 1 1 11 LEU HD21 H -1.374 -3.253 7.764 1.00 . A A . 10 LEU HD21 1 1
5 1195 1 1 11 LEU HD22 H -0.821 -2.426 6.314 1.00 . A A . 10 LEU HD22 1 1
5 1196 1 1 11 LEU HD23 H -0.312 -4.083 6.638 1.00 . A A . 10 LEU HD23 1 1
5 1197 1 1 11 LEU HG H -3.213 -3.678 6.555 1.00 . A A . 10 LEU HG 1 1
5 1198 1 1 11 LEU N N -3.692 -2.786 2.509 1.00 . A A . 10 LEU N 1 1
5 1199 1 1 11 LEU O O -5.849 -2.697 5.165 1.00 . A A . 10 LEU O 1 1
5 1200 1 1 12 . C C -6.614 0.237 5.243 1.00 . A A . 11 MK8 C 1 1
5 1201 1 1 12 . CA C -5.158 0.099 5.801 1.00 . A A . 11 MK8 CA 1 1
5 1202 1 1 12 . CB C -4.535 1.544 5.744 1.00 . A A . 11 MK8 CB 1 1
5 1203 1 1 12 . CB1 C -5.226 -0.353 7.285 1.00 . A A . 11 MK8 CB1 1 1
5 1204 1 1 12 . CD C -2.523 3.168 5.909 1.00 . A A . 11 MK8 CD 1 1
5 1205 1 1 12 . CE C -2.610 4.031 4.600 1.00 . A A . 11 MK8 CE 1 1
5 1206 1 1 12 . CG C -2.988 1.699 5.900 1.00 . A A . 11 MK8 CG 1 1
5 1207 1 1 12 . HB H -5.007 2.150 6.516 1.00 . A A . 11 MK8 HB 1 1
5 1208 1 1 12 . HB1 H -6.114 -0.935 7.441 1.00 . A A . 11 MK8 HB1 1 1
5 1209 1 1 12 . HB1A H -5.252 0.519 7.916 1.00 . A A . 11 MK8 HB1A 1 1
5 1210 1 1 12 . HB1B H -4.354 -0.948 7.521 1.00 . A A . 11 MK8 HB1B 1 1
5 1211 1 1 12 . HBA H -4.788 1.981 4.788 1.00 . A A . 11 MK8 HBA 1 1
5 1212 1 1 12 . HD H -1.497 3.171 6.245 1.00 . A A . 11 MK8 HD 1 1
5 1213 1 1 12 . HDA H -3.118 3.673 6.648 1.00 . A A . 11 MK8 HDA 1 1
5 1214 1 1 12 . HE H -3.574 4.448 4.357 1.00 . A A . 11 MK8 HE 1 1
5 1215 1 1 12 . HG H -2.506 1.198 5.078 1.00 . A A . 11 MK8 HG 1 1
5 1216 1 1 12 . HGA H -2.679 1.232 6.822 1.00 . A A . 11 MK8 HGA 1 1
5 1217 1 1 12 . HN H -3.483 -0.657 4.633 1.00 . A A . 11 MK8 HN 1 1
5 1218 1 1 12 . N N -4.359 -0.925 4.984 1.00 . A A . 11 MK8 N 1 1
5 1219 1 1 12 . O O -7.447 0.960 5.854 1.00 . A A . 11 MK8 O 1 1
5 1220 1 1 13 ASP C C -9.241 -1.153 4.245 1.00 . A A . 12 ASP C 1 1
5 1221 1 1 13 ASP CA C -8.199 -0.431 3.383 1.00 . A A . 12 ASP CA 1 1
5 1222 1 1 13 ASP CB C -8.105 -1.089 1.994 1.00 . A A . 12 ASP CB 1 1
5 1223 1 1 13 ASP CG C -9.401 -1.000 1.196 1.00 . A A . 12 ASP CG 1 1
5 1224 1 1 13 ASP H H -6.169 -0.961 3.666 1.00 . A A . 12 ASP H 1 1
5 1225 1 1 13 ASP HA H -8.499 0.611 3.271 1.00 . A A . 12 ASP HA 1 1
5 1226 1 1 13 ASP HB2 H -7.331 -0.602 1.430 1.00 . A A . 12 ASP HB2 1 1
5 1227 1 1 13 ASP HB3 H -7.855 -2.132 2.110 1.00 . A A . 12 ASP HB3 1 1
5 1228 1 1 13 ASP N N -6.888 -0.444 4.069 1.00 . A A . 12 ASP N 1 1
5 1229 1 1 13 ASP O O -10.420 -0.740 4.264 1.00 . A A . 12 ASP O 1 1
5 1230 1 1 13 ASP OD1 O -9.866 0.131 0.943 1.00 . A A . 12 ASP OD1 1 1
5 1231 1 1 13 ASP OD2 O -9.946 -2.061 0.832 1.00 . A A . 12 ASP OD2 1 1
5 1232 1 1 14 SER C C -9.892 -2.358 7.134 1.00 . A A . 13 SER C 1 1
5 1233 1 1 14 SER CA C -9.581 -3.083 5.830 1.00 . A A . 13 SER CA 1 1
5 1234 1 1 14 SER CB C -8.858 -4.402 6.145 1.00 . A A . 13 SER CB 1 1
5 1235 1 1 14 SER H H -7.820 -2.466 4.835 1.00 . A A . 13 SER H 1 1
5 1236 1 1 14 SER HA H -10.512 -3.298 5.323 1.00 . A A . 13 SER HA 1 1
5 1237 1 1 14 SER HB2 H -9.456 -4.962 6.846 1.00 . A A . 13 SER HB2 1 1
5 1238 1 1 14 SER HB3 H -8.737 -4.979 5.239 1.00 . A A . 13 SER HB3 1 1
5 1239 1 1 14 SER HG H -7.586 -3.345 7.217 1.00 . A A . 13 SER HG 1 1
5 1240 1 1 14 SER N N -8.762 -2.241 4.939 1.00 . A A . 13 SER N 1 1
5 1241 1 1 14 SER O O -11.053 -2.119 7.439 1.00 . A A . 13 SER O 1 1
5 1242 1 1 14 SER OG O -7.577 -4.167 6.716 1.00 . A A . 13 SER OG 1 1
5 1243 1 1 15 NH2 HN1 H -8.008 -1.748 7.258 1.00 . A A . 14 NH2 HN1 1 1
5 1244 1 1 15 NH2 HN2 H -9.041 -1.262 8.551 1.00 . A A . 14 NH2 HN2 1 1
5 1245 1 1 15 NH2 N N -8.880 -1.721 7.707 1.00 . A A . 14 NH2 N 1 1
6 1246 1 1 1 ACE C C 6.789 1.753 -7.998 1.00 . A A . 0 ACE C 1 1
6 1247 1 1 1 ACE CH3 C 6.758 1.650 -9.510 1.00 . A A . 0 ACE CH3 1 1
6 1248 1 1 1 ACE H1 H 6.928 0.625 -9.798 1.00 . A A . 0 ACE H1 1 1
6 1249 1 1 1 ACE H2 H 7.527 2.278 -9.935 1.00 . A A . 0 ACE H2 1 1
6 1250 1 1 1 ACE H3 H 5.797 1.975 -9.871 1.00 . A A . 0 ACE H3 1 1
6 1251 1 1 1 ACE O O 7.680 1.157 -7.368 1.00 . A A . 0 ACE O 1 1
6 1252 1 1 2 GLU C C 5.118 1.413 -5.294 1.00 . A A . 1 GLU C 1 1
6 1253 1 1 2 GLU CA C 5.616 2.711 -5.972 1.00 . A A . 1 GLU CA 1 1
6 1254 1 1 2 GLU CB C 4.704 3.933 -5.664 1.00 . A A . 1 GLU CB 1 1
6 1255 1 1 2 GLU CD C 6.528 5.593 -4.926 1.00 . A A . 1 GLU CD 1 1
6 1256 1 1 2 GLU CG C 5.360 5.312 -5.864 1.00 . A A . 1 GLU CG 1 1
6 1257 1 1 2 GLU H H 5.118 2.899 -8.033 1.00 . A A . 1 GLU H 1 1
6 1258 1 1 2 GLU HA H 6.606 2.927 -5.585 1.00 . A A . 1 GLU HA 1 1
6 1259 1 1 2 GLU HB2 H 3.836 3.882 -6.313 1.00 . A A . 1 GLU HB2 1 1
6 1260 1 1 2 GLU HB3 H 4.376 3.862 -4.640 1.00 . A A . 1 GLU HB3 1 1
6 1261 1 1 2 GLU HG2 H 5.720 5.376 -6.868 1.00 . A A . 1 GLU HG2 1 1
6 1262 1 1 2 GLU HG3 H 4.614 6.080 -5.705 1.00 . A A . 1 GLU HG3 1 1
6 1263 1 1 2 GLU N N 5.775 2.503 -7.430 1.00 . A A . 1 GLU N 1 1
6 1264 1 1 2 GLU O O 3.898 1.132 -5.251 1.00 . A A . 1 GLU O 1 1
6 1265 1 1 2 GLU OE1 O 7.527 4.846 -4.986 1.00 . A A . 1 GLU OE1 1 1
6 1266 1 1 2 GLU OE2 O 6.447 6.569 -4.158 1.00 . A A . 1 GLU OE2 1 1
6 1267 1 1 3 LYS C C 5.396 -0.585 -2.711 1.00 . A A . 2 LYS C 1 1
6 1268 1 1 3 LYS CA C 5.919 -0.705 -4.154 1.00 . A A . 2 LYS CA 1 1
6 1269 1 1 3 LYS CB C 7.219 -1.539 -4.191 1.00 . A A . 2 LYS CB 1 1
6 1270 1 1 3 LYS CD C 8.347 -3.792 -4.066 1.00 . A A . 2 LYS CD 1 1
6 1271 1 1 3 LYS CE C 8.165 -5.281 -3.807 1.00 . A A . 2 LYS CE 1 1
6 1272 1 1 3 LYS CG C 7.024 -3.042 -3.987 1.00 . A A . 2 LYS CG 1 1
6 1273 1 1 3 LYS H H 7.053 0.918 -4.929 1.00 . A A . 2 LYS H 1 1
6 1274 1 1 3 LYS HA H 5.166 -1.217 -4.734 1.00 . A A . 2 LYS HA 1 1
6 1275 1 1 3 LYS HB2 H 7.702 -1.395 -5.152 1.00 . A A . 2 LYS HB2 1 1
6 1276 1 1 3 LYS HB3 H 7.880 -1.187 -3.419 1.00 . A A . 2 LYS HB3 1 1
6 1277 1 1 3 LYS HD2 H 8.771 -3.657 -5.051 1.00 . A A . 2 LYS HD2 1 1
6 1278 1 1 3 LYS HD3 H 9.020 -3.391 -3.326 1.00 . A A . 2 LYS HD3 1 1
6 1279 1 1 3 LYS HE2 H 7.684 -5.408 -2.852 1.00 . A A . 2 LYS HE2 1 1
6 1280 1 1 3 LYS HE3 H 7.540 -5.698 -4.587 1.00 . A A . 2 LYS HE3 1 1
6 1281 1 1 3 LYS HG2 H 6.591 -3.208 -3.016 1.00 . A A . 2 LYS HG2 1 1
6 1282 1 1 3 LYS HG3 H 6.360 -3.418 -4.750 1.00 . A A . 2 LYS HG3 1 1
6 1283 1 1 3 LYS HZ1 H 9.962 -5.821 -2.896 1.00 . A A . 2 LYS HZ1 1 1
6 1284 1 1 3 LYS HZ2 H 10.054 -5.700 -4.582 1.00 . A A . 2 LYS HZ2 1 1
6 1285 1 1 3 LYS HZ3 H 9.288 -7.028 -3.873 1.00 . A A . 2 LYS HZ3 1 1
6 1286 1 1 3 LYS N N 6.134 0.609 -4.811 1.00 . A A . 2 LYS N 1 1
6 1287 1 1 3 LYS NZ N 9.458 -6.009 -3.789 1.00 . A A . 2 LYS NZ 1 1
6 1288 1 1 3 LYS O O 4.378 -1.227 -2.372 1.00 . A A . 2 LYS O 1 1
6 1289 1 1 4 HIS C C 4.507 1.267 -0.243 1.00 . A A . 3 HIS C 1 1
6 1290 1 1 4 HIS CA C 5.790 0.453 -0.428 1.00 . A A . 3 HIS CA 1 1
6 1291 1 1 4 HIS CB C 6.981 1.143 0.271 1.00 . A A . 3 HIS CB 1 1
6 1292 1 1 4 HIS CD2 C 6.927 1.965 2.754 1.00 . A A . 3 HIS CD2 1 1
6 1293 1 1 4 HIS CE1 C 6.942 0.017 3.741 1.00 . A A . 3 HIS CE1 1 1
6 1294 1 1 4 HIS CG C 6.976 1.021 1.780 1.00 . A A . 3 HIS CG 1 1
6 1295 1 1 4 HIS H H 6.891 0.708 -2.220 1.00 . A A . 3 HIS H 1 1
6 1296 1 1 4 HIS HA H 5.636 -0.513 0.019 1.00 . A A . 3 HIS HA 1 1
6 1297 1 1 4 HIS HB2 H 7.912 0.717 -0.090 1.00 . A A . 3 HIS HB2 1 1
6 1298 1 1 4 HIS HB3 H 6.950 2.190 0.018 1.00 . A A . 3 HIS HB3 1 1
6 1299 1 1 4 HIS HD1 H 7.011 -1.066 2.004 1.00 . A A . 3 HIS HD1 1 1
6 1300 1 1 4 HIS HD2 H 6.896 3.035 2.610 1.00 . A A . 3 HIS HD2 1 1
6 1301 1 1 4 HIS HE1 H 6.913 -0.744 4.504 1.00 . A A . 3 HIS HE1 1 1
6 1302 1 1 4 HIS HE2 H 6.836 1.727 4.837 1.00 . A A . 3 HIS HE2 1 1
6 1303 1 1 4 HIS N N 6.109 0.254 -1.865 1.00 . A A . 3 HIS N 1 1
6 1304 1 1 4 HIS ND1 N 6.987 -0.187 2.434 1.00 . A A . 3 HIS ND1 1 1
6 1305 1 1 4 HIS NE2 N 6.907 1.309 3.958 1.00 . A A . 3 HIS NE2 1 1
6 1306 1 1 4 HIS O O 3.751 0.937 0.689 1.00 . A A . 3 HIS O 1 1
6 1307 1 1 5 LYS C C 1.746 2.277 -1.435 1.00 . A A . 4 LYS C 1 1
6 1308 1 1 5 LYS CA C 3.014 3.095 -1.147 1.00 . A A . 4 LYS CA 1 1
6 1309 1 1 5 LYS CB C 3.122 4.261 -2.127 1.00 . A A . 4 LYS CB 1 1
6 1310 1 1 5 LYS CD C 3.954 6.614 -2.470 1.00 . A A . 4 LYS CD 1 1
6 1311 1 1 5 LYS CE C 4.852 7.711 -1.919 1.00 . A A . 4 LYS CE 1 1
6 1312 1 1 5 LYS CG C 4.126 5.321 -1.689 1.00 . A A . 4 LYS CG 1 1
6 1313 1 1 5 LYS H H 4.882 2.396 -1.906 1.00 . A A . 4 LYS H 1 1
6 1314 1 1 5 LYS HA H 2.922 3.497 -0.143 1.00 . A A . 4 LYS HA 1 1
6 1315 1 1 5 LYS HB2 H 3.417 3.877 -3.094 1.00 . A A . 4 LYS HB2 1 1
6 1316 1 1 5 LYS HB3 H 2.152 4.738 -2.216 1.00 . A A . 4 LYS HB3 1 1
6 1317 1 1 5 LYS HD2 H 4.199 6.441 -3.500 1.00 . A A . 4 LYS HD2 1 1
6 1318 1 1 5 LYS HD3 H 2.928 6.933 -2.390 1.00 . A A . 4 LYS HD3 1 1
6 1319 1 1 5 LYS HE2 H 4.586 7.884 -0.893 1.00 . A A . 4 LYS HE2 1 1
6 1320 1 1 5 LYS HE3 H 5.883 7.384 -1.978 1.00 . A A . 4 LYS HE3 1 1
6 1321 1 1 5 LYS HG2 H 3.975 5.524 -0.638 1.00 . A A . 4 LYS HG2 1 1
6 1322 1 1 5 LYS HG3 H 5.132 4.947 -1.846 1.00 . A A . 4 LYS HG3 1 1
6 1323 1 1 5 LYS HZ1 H 5.384 9.695 -2.305 1.00 . A A . 4 LYS HZ1 1 1
6 1324 1 1 5 LYS HZ2 H 3.742 9.372 -2.567 1.00 . A A . 4 LYS HZ2 1 1
6 1325 1 1 5 LYS HZ3 H 4.896 8.839 -3.678 1.00 . A A . 4 LYS HZ3 1 1
6 1326 1 1 5 LYS N N 4.243 2.259 -1.173 1.00 . A A . 4 LYS N 1 1
6 1327 1 1 5 LYS NZ N 4.711 8.993 -2.670 1.00 . A A . 4 LYS NZ 1 1
6 1328 1 1 5 LYS O O 0.739 2.434 -0.705 1.00 . A A . 4 LYS O 1 1
6 1329 1 1 6 ILE C C 0.264 -0.505 -1.851 1.00 . A A . 5 ILE C 1 1
6 1330 1 1 6 ILE CA C 0.661 0.535 -2.932 1.00 . A A . 5 ILE CA 1 1
6 1331 1 1 6 ILE CB C 0.932 -0.096 -4.368 1.00 . A A . 5 ILE CB 1 1
6 1332 1 1 6 ILE CD1 C -1.246 0.271 -5.670 1.00 . A A . 5 ILE CD1 1 1
6 1333 1 1 6 ILE CG1 C -0.336 -0.732 -4.981 1.00 . A A . 5 ILE CG1 1 1
6 1334 1 1 6 ILE CG2 C 2.098 -1.090 -4.398 1.00 . A A . 5 ILE CG2 1 1
6 1335 1 1 6 ILE H H 2.639 1.316 -3.003 1.00 . A A . 5 ILE H 1 1
6 1336 1 1 6 ILE HA H -0.177 1.217 -3.034 1.00 . A A . 5 ILE HA 1 1
6 1337 1 1 6 ILE HB H 1.222 0.725 -5.011 1.00 . A A . 5 ILE HB 1 1
6 1338 1 1 6 ILE HD11 H -2.061 -0.250 -6.149 1.00 . A A . 5 ILE HD11 1 1
6 1339 1 1 6 ILE HD12 H -0.675 0.810 -6.413 1.00 . A A . 5 ILE HD12 1 1
6 1340 1 1 6 ILE HD13 H -1.634 0.973 -4.945 1.00 . A A . 5 ILE HD13 1 1
6 1341 1 1 6 ILE HG12 H -0.045 -1.473 -5.708 1.00 . A A . 5 ILE HG12 1 1
6 1342 1 1 6 ILE HG13 H -0.906 -1.213 -4.192 1.00 . A A . 5 ILE HG13 1 1
6 1343 1 1 6 ILE HG21 H 1.756 -2.029 -4.810 1.00 . A A . 5 ILE HG21 1 1
6 1344 1 1 6 ILE HG22 H 2.475 -1.256 -3.398 1.00 . A A . 5 ILE HG22 1 1
6 1345 1 1 6 ILE HG23 H 2.882 -0.694 -5.015 1.00 . A A . 5 ILE HG23 1 1
6 1346 1 1 6 ILE N N 1.808 1.377 -2.495 1.00 . A A . 5 ILE N 1 1
6 1347 1 1 6 ILE O O -0.945 -0.707 -1.635 1.00 . A A . 5 ILE O 1 1
6 1348 1 1 7 LEU C C 0.383 -1.499 1.130 1.00 . A A . 6 LEU C 1 1
6 1349 1 1 7 LEU CA C 1.101 -2.114 -0.089 1.00 . A A . 6 LEU CA 1 1
6 1350 1 1 7 LEU CB C 2.485 -2.712 0.345 1.00 . A A . 6 LEU CB 1 1
6 1351 1 1 7 LEU CD1 C 1.919 -3.966 2.567 1.00 . A A . 6 LEU CD1 1 1
6 1352 1 1 7 LEU CD2 C 2.042 -5.274 0.415 1.00 . A A . 6 LEU CD2 1 1
6 1353 1 1 7 LEU CG C 2.573 -4.049 1.176 1.00 . A A . 6 LEU CG 1 1
6 1354 1 1 7 LEU H H 2.214 -0.872 -1.404 1.00 . A A . 6 LEU H 1 1
6 1355 1 1 7 LEU HA H 0.482 -2.904 -0.485 1.00 . A A . 6 LEU HA 1 1
6 1356 1 1 7 LEU HB2 H 3.046 -2.872 -0.554 1.00 . A A . 6 LEU HB2 1 1
6 1357 1 1 7 LEU HB3 H 2.993 -1.948 0.923 1.00 . A A . 6 LEU HB3 1 1
6 1358 1 1 7 LEU HD11 H 0.848 -4.073 2.474 1.00 . A A . 6 LEU HD11 1 1
6 1359 1 1 7 LEU HD12 H 2.146 -3.012 3.018 1.00 . A A . 6 LEU HD12 1 1
6 1360 1 1 7 LEU HD13 H 2.302 -4.758 3.198 1.00 . A A . 6 LEU HD13 1 1
6 1361 1 1 7 LEU HD21 H 1.306 -4.956 -0.312 1.00 . A A . 6 LEU HD21 1 1
6 1362 1 1 7 LEU HD22 H 1.588 -5.953 1.114 1.00 . A A . 6 LEU HD22 1 1
6 1363 1 1 7 LEU HD23 H 2.857 -5.765 -0.085 1.00 . A A . 6 LEU HD23 1 1
6 1364 1 1 7 LEU HG H 3.622 -4.236 1.349 1.00 . A A . 6 LEU HG 1 1
6 1365 1 1 7 LEU N N 1.296 -1.110 -1.164 1.00 . A A . 6 LEU N 1 1
6 1366 1 1 7 LEU O O -0.604 -2.063 1.606 1.00 . A A . 6 LEU O 1 1
6 1367 1 1 8 . C C -1.217 0.730 2.603 1.00 . A A . 7 MK8 C 1 1
6 1368 1 1 8 . CA C 0.346 0.463 2.793 1.00 . A A . 7 MK8 CA 1 1
6 1369 1 1 8 . CB C 1.178 1.820 2.878 1.00 . A A . 7 MK8 CB 1 1
6 1370 1 1 8 . CB1 C 0.686 -0.348 4.082 1.00 . A A . 7 MK8 CB1 1 1
6 1371 1 1 8 . CD C 0.536 2.789 5.219 1.00 . A A . 7 MK8 CD 1 1
6 1372 1 1 8 . CE C -0.282 3.791 6.085 1.00 . A A . 7 MK8 CE 1 1
6 1373 1 1 8 . CG C 0.652 3.045 3.718 1.00 . A A . 7 MK8 CG 1 1
6 1374 1 1 8 . HB H 1.329 2.156 1.855 1.00 . A A . 7 MK8 HB 1 1
6 1375 1 1 8 . HB1 H -0.213 -0.479 4.672 1.00 . A A . 7 MK8 HB1 1 1
6 1376 1 1 8 . HB1A H 1.417 0.193 4.655 1.00 . A A . 7 MK8 HB1A 1 1
6 1377 1 1 8 . HB1B H 1.082 -1.313 3.806 1.00 . A A . 7 MK8 HB1B 1 1
6 1378 1 1 8 . HBA H 2.145 1.579 3.287 1.00 . A A . 7 MK8 HBA 1 1
6 1379 1 1 8 . HD H 1.543 2.744 5.612 1.00 . A A . 7 MK8 HD 1 1
6 1380 1 1 8 . HDA H 0.086 1.826 5.354 1.00 . A A . 7 MK8 HDA 1 1
6 1381 1 1 8 . HE H 0.289 4.468 6.685 1.00 . A A . 7 MK8 HE 1 1
6 1382 1 1 8 . HG H -0.316 3.325 3.344 1.00 . A A . 7 MK8 HG 1 1
6 1383 1 1 8 . HGA H 1.334 3.865 3.581 1.00 . A A . 7 MK8 HGA 1 1
6 1384 1 1 8 . HN H 1.649 0.070 1.156 1.00 . A A . 7 MK8 HN 1 1
6 1385 1 1 8 . N N 0.890 -0.306 1.621 1.00 . A A . 7 MK8 N 1 1
6 1386 1 1 8 . O O -1.999 0.718 3.582 1.00 . A A . 7 MK8 O 1 1
6 1387 1 1 9 ARG C C -3.994 0.298 0.844 1.00 . A A . 8 ARG C 1 1
6 1388 1 1 9 ARG CA C -3.019 1.472 0.944 1.00 . A A . 8 ARG CA 1 1
6 1389 1 1 9 ARG CB C -3.014 2.253 -0.378 1.00 . A A . 8 ARG CB 1 1
6 1390 1 1 9 ARG CD C -2.461 4.383 -1.563 1.00 . A A . 8 ARG CD 1 1
6 1391 1 1 9 ARG CG C -2.263 3.575 -0.291 1.00 . A A . 8 ARG CG 1 1
6 1392 1 1 9 ARG CZ C -1.771 6.657 -2.499 1.00 . A A . 8 ARG CZ 1 1
6 1393 1 1 9 ARG H H -0.933 1.150 0.629 1.00 . A A . 8 ARG H 1 1
6 1394 1 1 9 ARG HA H -3.376 2.132 1.723 1.00 . A A . 8 ARG HA 1 1
6 1395 1 1 9 ARG HB2 H -2.544 1.652 -1.148 1.00 . A A . 8 ARG HB2 1 1
6 1396 1 1 9 ARG HB3 H -4.037 2.461 -0.671 1.00 . A A . 8 ARG HB3 1 1
6 1397 1 1 9 ARG HD2 H -2.098 3.814 -2.411 1.00 . A A . 8 ARG HD2 1 1
6 1398 1 1 9 ARG HD3 H -3.518 4.576 -1.688 1.00 . A A . 8 ARG HD3 1 1
6 1399 1 1 9 ARG HE H -1.217 5.866 -0.716 1.00 . A A . 8 ARG HE 1 1
6 1400 1 1 9 ARG HG2 H -2.634 4.147 0.557 1.00 . A A . 8 ARG HG2 1 1
6 1401 1 1 9 ARG HG3 H -1.210 3.372 -0.163 1.00 . A A . 8 ARG HG3 1 1
6 1402 1 1 9 ARG HH11 H -3.015 5.699 -3.796 1.00 . A A . 8 ARG HH11 1 1
6 1403 1 1 9 ARG HH12 H -2.469 7.256 -4.319 1.00 . A A . 8 ARG HH12 1 1
6 1404 1 1 9 ARG HH21 H -0.561 7.898 -1.459 1.00 . A A . 8 ARG HH21 1 1
6 1405 1 1 9 ARG HH22 H -1.106 8.496 -2.996 1.00 . A A . 8 ARG HH22 1 1
6 1406 1 1 9 ARG N N -1.620 1.075 1.314 1.00 . A A . 8 ARG N 1 1
6 1407 1 1 9 ARG NE N -1.748 5.682 -1.520 1.00 . A A . 8 ARG NE 1 1
6 1408 1 1 9 ARG NH1 N -2.477 6.527 -3.636 1.00 . A A . 8 ARG NH1 1 1
6 1409 1 1 9 ARG NH2 N -1.088 7.774 -2.304 1.00 . A A . 8 ARG NH2 1 1
6 1410 1 1 9 ARG O O -5.172 0.488 1.220 1.00 . A A . 8 ARG O 1 1
6 1411 1 1 10 LEU C C -4.654 -2.735 1.571 1.00 . A A . 9 LEU C 1 1
6 1412 1 1 10 LEU CA C -4.312 -2.122 0.197 1.00 . A A . 9 LEU CA 1 1
6 1413 1 1 10 LEU CB C -3.565 -3.137 -0.692 1.00 . A A . 9 LEU CB 1 1
6 1414 1 1 10 LEU CD1 C -5.195 -3.995 -2.444 1.00 . A A . 9 LEU CD1 1 1
6 1415 1 1 10 LEU CD2 C -3.463 -5.530 -1.466 1.00 . A A . 9 LEU CD2 1 1
6 1416 1 1 10 LEU CG C -4.387 -4.351 -1.193 1.00 . A A . 9 LEU CG 1 1
6 1417 1 1 10 LEU H H -2.564 -0.924 0.071 1.00 . A A . 9 LEU H 1 1
6 1418 1 1 10 LEU HA H -5.235 -1.834 -0.285 1.00 . A A . 9 LEU HA 1 1
6 1419 1 1 10 LEU HB2 H -3.187 -2.610 -1.561 1.00 . A A . 9 LEU HB2 1 1
6 1420 1 1 10 LEU HB3 H -2.721 -3.508 -0.129 1.00 . A A . 9 LEU HB3 1 1
6 1421 1 1 10 LEU HD11 H -6.246 -3.967 -2.204 1.00 . A A . 9 LEU HD11 1 1
6 1422 1 1 10 LEU HD12 H -5.028 -4.734 -3.208 1.00 . A A . 9 LEU HD12 1 1
6 1423 1 1 10 LEU HD13 H -4.883 -3.024 -2.803 1.00 . A A . 9 LEU HD13 1 1
6 1424 1 1 10 LEU HD21 H -2.508 -5.351 -0.989 1.00 . A A . 9 LEU HD21 1 1
6 1425 1 1 10 LEU HD22 H -3.311 -5.627 -2.531 1.00 . A A . 9 LEU HD22 1 1
6 1426 1 1 10 LEU HD23 H -3.901 -6.442 -1.073 1.00 . A A . 9 LEU HD23 1 1
6 1427 1 1 10 LEU HG H -5.086 -4.648 -0.426 1.00 . A A . 9 LEU HG 1 1
6 1428 1 1 10 LEU N N -3.496 -0.891 0.354 1.00 . A A . 9 LEU N 1 1
6 1429 1 1 10 LEU O O -5.732 -3.349 1.704 1.00 . A A . 9 LEU O 1 1
6 1430 1 1 11 LEU C C -4.843 -2.243 4.823 1.00 . A A . 10 LEU C 1 1
6 1431 1 1 11 LEU CA C -3.871 -3.091 3.964 1.00 . A A . 10 LEU CA 1 1
6 1432 1 1 11 LEU CB C -2.492 -3.207 4.651 1.00 . A A . 10 LEU CB 1 1
6 1433 1 1 11 LEU CD1 C -1.068 -4.674 6.109 1.00 . A A . 10 LEU CD1 1 1
6 1434 1 1 11 LEU CD2 C -2.829 -3.283 7.159 1.00 . A A . 10 LEU CD2 1 1
6 1435 1 1 11 LEU CG C -2.449 -4.079 5.920 1.00 . A A . 10 LEU CG 1 1
6 1436 1 1 11 LEU H H -2.885 -2.087 2.365 1.00 . A A . 10 LEU H 1 1
6 1437 1 1 11 LEU HA H -4.289 -4.080 3.880 1.00 . A A . 10 LEU HA 1 1
6 1438 1 1 11 LEU HB2 H -1.801 -3.625 3.935 1.00 . A A . 10 LEU HB2 1 1
6 1439 1 1 11 LEU HB3 H -2.156 -2.212 4.901 1.00 . A A . 10 LEU HB3 1 1
6 1440 1 1 11 LEU HD11 H -0.834 -5.309 5.271 1.00 . A A . 10 LEU HD11 1 1
6 1441 1 1 11 LEU HD12 H -1.053 -5.251 7.024 1.00 . A A . 10 LEU HD12 1 1
6 1442 1 1 11 LEU HD13 H -0.342 -3.878 6.179 1.00 . A A . 10 LEU HD13 1 1
6 1443 1 1 11 LEU HD21 H -2.023 -2.611 7.411 1.00 . A A . 10 LEU HD21 1 1
6 1444 1 1 11 LEU HD22 H -3.009 -3.961 7.979 1.00 . A A . 10 LEU HD22 1 1
6 1445 1 1 11 LEU HD23 H -3.724 -2.718 6.956 1.00 . A A . 10 LEU HD23 1 1
6 1446 1 1 11 LEU HG H -3.156 -4.887 5.806 1.00 . A A . 10 LEU HG 1 1
6 1447 1 1 11 LEU N N -3.716 -2.564 2.579 1.00 . A A . 10 LEU N 1 1
6 1448 1 1 11 LEU O O -5.871 -2.769 5.263 1.00 . A A . 10 LEU O 1 1
6 1449 1 1 12 . C C -6.770 0.125 5.331 1.00 . A A . 11 MK8 C 1 1
6 1450 1 1 12 . CA C -5.310 0.052 5.897 1.00 . A A . 11 MK8 CA 1 1
6 1451 1 1 12 . CB C -4.727 1.521 5.815 1.00 . A A . 11 MK8 CB 1 1
6 1452 1 1 12 . CB1 C -5.355 -0.403 7.395 1.00 . A A . 11 MK8 CB1 1 1
6 1453 1 1 12 . CD C -2.759 3.086 5.448 1.00 . A A . 11 MK8 CD 1 1
6 1454 1 1 12 . CE C -1.666 3.912 6.181 1.00 . A A . 11 MK8 CE 1 1
6 1455 1 1 12 . CG C -3.213 1.764 6.053 1.00 . A A . 11 MK8 CG 1 1
6 1456 1 1 12 . HB H -5.260 2.124 6.541 1.00 . A A . 11 MK8 HB 1 1
6 1457 1 1 12 . HB1 H -5.437 -1.477 7.445 1.00 . A A . 11 MK8 HB1 1 1
6 1458 1 1 12 . HB1A H -6.213 0.043 7.879 1.00 . A A . 11 MK8 HB1A 1 1
6 1459 1 1 12 . HB1B H -4.452 -0.082 7.898 1.00 . A A . 11 MK8 HB1B 1 1
6 1460 1 1 12 . HBA H -4.951 1.912 4.843 1.00 . A A . 11 MK8 HBA 1 1
6 1461 1 1 12 . HD H -3.628 3.711 5.354 1.00 . A A . 11 MK8 HD 1 1
6 1462 1 1 12 . HDA H -2.403 2.885 4.452 1.00 . A A . 11 MK8 HDA 1 1
6 1463 1 1 12 . HE H -2.036 4.681 6.852 1.00 . A A . 11 MK8 HE 1 1
6 1464 1 1 12 . HG H -2.645 0.973 5.604 1.00 . A A . 11 MK8 HG 1 1
6 1465 1 1 12 . HGA H -3.021 1.783 7.118 1.00 . A A . 11 MK8 HGA 1 1
6 1466 1 1 12 . HN H -3.653 -0.609 4.665 1.00 . A A . 11 MK8 HN 1 1
6 1467 1 1 12 . N N -4.489 -0.921 5.060 1.00 . A A . 11 MK8 N 1 1
6 1468 1 1 12 . O O -7.665 0.741 5.983 1.00 . A A . 11 MK8 O 1 1
6 1469 1 1 13 ASP C C -9.308 -1.346 4.174 1.00 . A A . 12 ASP C 1 1
6 1470 1 1 13 ASP CA C -8.294 -0.493 3.404 1.00 . A A . 12 ASP CA 1 1
6 1471 1 1 13 ASP CB C -8.138 -0.982 1.959 1.00 . A A . 12 ASP CB 1 1
6 1472 1 1 13 ASP CG C -9.424 -0.895 1.152 1.00 . A A . 12 ASP CG 1 1
6 1473 1 1 13 ASP H H -6.230 -0.912 3.658 1.00 . A A . 12 ASP H 1 1
6 1474 1 1 13 ASP HA H -8.656 0.521 3.381 1.00 . A A . 12 ASP HA 1 1
6 1475 1 1 13 ASP HB2 H -7.389 -0.381 1.462 1.00 . A A . 12 ASP HB2 1 1
6 1476 1 1 13 ASP HB3 H -7.815 -2.010 1.978 1.00 . A A . 12 ASP HB3 1 1
6 1477 1 1 13 ASP N N -6.986 -0.478 4.099 1.00 . A A . 12 ASP N 1 1
6 1478 1 1 13 ASP O O -10.478 -0.938 4.295 1.00 . A A . 12 ASP O 1 1
6 1479 1 1 13 ASP OD1 O -9.966 0.223 1.017 1.00 . A A . 12 ASP OD1 1 1
6 1480 1 1 13 ASP OD2 O -9.877 -1.944 0.658 1.00 . A A . 12 ASP OD2 1 1
6 1481 1 1 14 SER C C -9.889 -3.009 6.863 1.00 . A A . 13 SER C 1 1
6 1482 1 1 14 SER CA C -9.640 -3.510 5.446 1.00 . A A . 13 SER CA 1 1
6 1483 1 1 14 SER CB C -8.947 -4.881 5.499 1.00 . A A . 13 SER CB 1 1
6 1484 1 1 14 SER H H -7.878 -2.756 4.513 1.00 . A A . 13 SER H 1 1
6 1485 1 1 14 SER HA H -10.592 -3.613 4.947 1.00 . A A . 13 SER HA 1 1
6 1486 1 1 14 SER HB2 H -8.812 -5.250 4.491 1.00 . A A . 13 SER HB2 1 1
6 1487 1 1 14 SER HB3 H -7.980 -4.775 5.982 1.00 . A A . 13 SER HB3 1 1
6 1488 1 1 14 SER HG H -10.255 -6.343 5.631 1.00 . A A . 13 SER HG 1 1
6 1489 1 1 14 SER N N -8.823 -2.538 4.676 1.00 . A A . 13 SER N 1 1
6 1490 1 1 14 SER O O -11.002 -3.076 7.371 1.00 . A A . 13 SER O 1 1
6 1491 1 1 14 SER OG O -9.721 -5.816 6.234 1.00 . A A . 13 SER OG 1 1
6 1492 1 1 15 NH2 HN1 H -7.949 -2.662 7.091 1.00 . A A . 14 NH2 HN1 1 1
6 1493 1 1 15 NH2 HN2 H -8.953 -2.288 8.453 1.00 . A A . 14 NH2 HN2 1 1
6 1494 1 1 15 NH2 N N -8.823 -2.612 7.537 1.00 . A A . 14 NH2 N 1 1
7 1495 1 1 1 ACE C C 8.622 2.549 -4.816 1.00 . A A . 0 ACE C 1 1
7 1496 1 1 1 ACE CH3 C 10.102 2.221 -4.904 1.00 . A A . 0 ACE CH3 1 1
7 1497 1 1 1 ACE H1 H 10.438 1.837 -3.954 1.00 . A A . 0 ACE H1 1 1
7 1498 1 1 1 ACE H2 H 10.659 3.120 -5.150 1.00 . A A . 0 ACE H2 1 1
7 1499 1 1 1 ACE H3 H 10.262 1.476 -5.672 1.00 . A A . 0 ACE H3 1 1
7 1500 1 1 1 ACE O O 8.131 2.855 -3.723 1.00 . A A . 0 ACE O 1 1
7 1501 1 1 2 GLU C C 5.551 1.759 -5.563 1.00 . A A . 1 GLU C 1 1
7 1502 1 1 2 GLU CA C 6.487 2.830 -6.158 1.00 . A A . 1 GLU CA 1 1
7 1503 1 1 2 GLU CB C 6.181 3.039 -7.652 1.00 . A A . 1 GLU CB 1 1
7 1504 1 1 2 GLU CD C 3.664 2.903 -7.917 1.00 . A A . 1 GLU CD 1 1
7 1505 1 1 2 GLU CG C 4.886 3.793 -7.950 1.00 . A A . 1 GLU CG 1 1
7 1506 1 1 2 GLU H H 8.449 2.289 -6.822 1.00 . A A . 1 GLU H 1 1
7 1507 1 1 2 GLU HA H 6.304 3.757 -5.640 1.00 . A A . 1 GLU HA 1 1
7 1508 1 1 2 GLU HB2 H 6.999 3.590 -8.087 1.00 . A A . 1 GLU HB2 1 1
7 1509 1 1 2 GLU HB3 H 6.123 2.070 -8.121 1.00 . A A . 1 GLU HB3 1 1
7 1510 1 1 2 GLU HG2 H 4.754 4.565 -7.205 1.00 . A A . 1 GLU HG2 1 1
7 1511 1 1 2 GLU HG3 H 4.959 4.242 -8.929 1.00 . A A . 1 GLU HG3 1 1
7 1512 1 1 2 GLU N N 7.935 2.513 -6.007 1.00 . A A . 1 GLU N 1 1
7 1513 1 1 2 GLU O O 4.370 2.080 -5.315 1.00 . A A . 1 GLU O 1 1
7 1514 1 1 2 GLU OE1 O 3.622 1.924 -8.692 1.00 . A A . 1 GLU OE1 1 1
7 1515 1 1 2 GLU OE2 O 2.749 3.187 -7.124 1.00 . A A . 1 GLU OE2 1 1
7 1516 1 1 3 LYS C C 4.987 -0.536 -3.320 1.00 . A A . 2 LYS C 1 1
7 1517 1 1 3 LYS CA C 5.310 -0.657 -4.826 1.00 . A A . 2 LYS CA 1 1
7 1518 1 1 3 LYS CB C 6.020 -1.995 -5.141 1.00 . A A . 2 LYS CB 1 1
7 1519 1 1 3 LYS CD C 8.142 -3.398 -5.088 1.00 . A A . 2 LYS CD 1 1
7 1520 1 1 3 LYS CE C 7.895 -4.606 -4.185 1.00 . A A . 2 LYS CE 1 1
7 1521 1 1 3 LYS CG C 7.443 -2.135 -4.593 1.00 . A A . 2 LYS CG 1 1
7 1522 1 1 3 LYS H H 7.015 0.345 -5.601 1.00 . A A . 2 LYS H 1 1
7 1523 1 1 3 LYS HA H 4.371 -0.651 -5.359 1.00 . A A . 2 LYS HA 1 1
7 1524 1 1 3 LYS HB2 H 5.429 -2.800 -4.734 1.00 . A A . 2 LYS HB2 1 1
7 1525 1 1 3 LYS HB3 H 6.062 -2.121 -6.212 1.00 . A A . 2 LYS HB3 1 1
7 1526 1 1 3 LYS HD2 H 7.786 -3.630 -6.080 1.00 . A A . 2 LYS HD2 1 1
7 1527 1 1 3 LYS HD3 H 9.201 -3.198 -5.124 1.00 . A A . 2 LYS HD3 1 1
7 1528 1 1 3 LYS HE2 H 6.833 -4.788 -4.138 1.00 . A A . 2 LYS HE2 1 1
7 1529 1 1 3 LYS HE3 H 8.392 -5.465 -4.610 1.00 . A A . 2 LYS HE3 1 1
7 1530 1 1 3 LYS HG2 H 8.017 -1.281 -4.899 1.00 . A A . 2 LYS HG2 1 1
7 1531 1 1 3 LYS HG3 H 7.400 -2.172 -3.515 1.00 . A A . 2 LYS HG3 1 1
7 1532 1 1 3 LYS HZ1 H 7.728 -3.810 -2.262 1.00 . A A . 2 LYS HZ1 1 1
7 1533 1 1 3 LYS HZ2 H 9.318 -3.889 -2.830 1.00 . A A . 2 LYS HZ2 1 1
7 1534 1 1 3 LYS HZ3 H 8.533 -5.295 -2.315 1.00 . A A . 2 LYS HZ3 1 1
7 1535 1 1 3 LYS N N 6.086 0.493 -5.357 1.00 . A A . 2 LYS N 1 1
7 1536 1 1 3 LYS NZ N 8.405 -4.385 -2.800 1.00 . A A . 2 LYS NZ 1 1
7 1537 1 1 3 LYS O O 4.119 -1.278 -2.824 1.00 . A A . 2 LYS O 1 1
7 1538 1 1 4 HIS C C 4.117 1.392 -0.891 1.00 . A A . 3 HIS C 1 1
7 1539 1 1 4 HIS CA C 5.470 0.711 -1.158 1.00 . A A . 3 HIS CA 1 1
7 1540 1 1 4 HIS CB C 6.640 1.567 -0.639 1.00 . A A . 3 HIS CB 1 1
7 1541 1 1 4 HIS CD2 C 7.844 1.263 1.657 1.00 . A A . 3 HIS CD2 1 1
7 1542 1 1 4 HIS CE1 C 6.243 1.982 2.964 1.00 . A A . 3 HIS CE1 1 1
7 1543 1 1 4 HIS CG C 6.796 1.607 0.862 1.00 . A A . 3 HIS CG 1 1
7 1544 1 1 4 HIS H H 6.287 1.023 -3.109 1.00 . A A . 3 HIS H 1 1
7 1545 1 1 4 HIS HA H 5.477 -0.248 -0.648 1.00 . A A . 3 HIS HA 1 1
7 1546 1 1 4 HIS HB2 H 7.558 1.174 -1.046 1.00 . A A . 3 HIS HB2 1 1
7 1547 1 1 4 HIS HB3 H 6.513 2.583 -0.986 1.00 . A A . 3 HIS HB3 1 1
7 1548 1 1 4 HIS HD1 H 4.931 2.391 1.454 1.00 . A A . 3 HIS HD1 1 1
7 1549 1 1 4 HIS HD2 H 8.800 0.872 1.328 1.00 . A A . 3 HIS HD2 1 1
7 1550 1 1 4 HIS HE1 H 5.680 2.259 3.847 1.00 . A A . 3 HIS HE1 1 1
7 1551 1 1 4 HIS HE2 H 7.975 1.255 3.756 1.00 . A A . 3 HIS HE2 1 1
7 1552 1 1 4 HIS N N 5.658 0.453 -2.617 1.00 . A A . 3 HIS N 1 1
7 1553 1 1 4 HIS ND1 N 5.810 2.052 1.717 1.00 . A A . 3 HIS ND1 1 1
7 1554 1 1 4 HIS NE2 N 7.466 1.507 2.955 1.00 . A A . 3 HIS NE2 1 1
7 1555 1 1 4 HIS O O 3.454 1.048 0.100 1.00 . A A . 3 HIS O 1 1
7 1556 1 1 5 LYS C C 1.227 2.109 -1.961 1.00 . A A . 4 LYS C 1 1
7 1557 1 1 5 LYS CA C 2.425 3.050 -1.780 1.00 . A A . 4 LYS CA 1 1
7 1558 1 1 5 LYS CB C 2.402 4.146 -2.845 1.00 . A A . 4 LYS CB 1 1
7 1559 1 1 5 LYS CD C 3.284 6.366 -3.622 1.00 . A A . 4 LYS CD 1 1
7 1560 1 1 5 LYS CE C 4.237 7.519 -3.326 1.00 . A A . 4 LYS CE 1 1
7 1561 1 1 5 LYS CG C 3.433 5.240 -2.614 1.00 . A A . 4 LYS CG 1 1
7 1562 1 1 5 LYS H H 4.291 2.472 -2.587 1.00 . A A . 4 LYS H 1 1
7 1563 1 1 5 LYS HA H 2.356 3.505 -0.805 1.00 . A A . 4 LYS HA 1 1
7 1564 1 1 5 LYS HB2 H 2.603 3.694 -3.811 1.00 . A A . 4 LYS HB2 1 1
7 1565 1 1 5 LYS HB3 H 1.427 4.595 -2.864 1.00 . A A . 4 LYS HB3 1 1
7 1566 1 1 5 LYS HD2 H 3.490 5.981 -4.611 1.00 . A A . 4 LYS HD2 1 1
7 1567 1 1 5 LYS HD3 H 2.265 6.734 -3.590 1.00 . A A . 4 LYS HD3 1 1
7 1568 1 1 5 LYS HE2 H 4.025 7.910 -2.342 1.00 . A A . 4 LYS HE2 1 1
7 1569 1 1 5 LYS HE3 H 5.250 7.143 -3.346 1.00 . A A . 4 LYS HE3 1 1
7 1570 1 1 5 LYS HG2 H 3.293 5.630 -1.622 1.00 . A A . 4 LYS HG2 1 1
7 1571 1 1 5 LYS HG3 H 4.422 4.815 -2.697 1.00 . A A . 4 LYS HG3 1 1
7 1572 1 1 5 LYS HZ1 H 4.927 8.592 -4.986 1.00 . A A . 4 LYS HZ1 1 1
7 1573 1 1 5 LYS HZ2 H 4.086 9.545 -3.866 1.00 . A A . 4 LYS HZ2 1 1
7 1574 1 1 5 LYS HZ3 H 3.242 8.493 -4.885 1.00 . A A . 4 LYS HZ3 1 1
7 1575 1 1 5 LYS N N 3.708 2.314 -1.832 1.00 . A A . 4 LYS N 1 1
7 1576 1 1 5 LYS NZ N 4.115 8.615 -4.334 1.00 . A A . 4 LYS NZ 1 1
7 1577 1 1 5 LYS O O 0.211 2.257 -1.246 1.00 . A A . 4 LYS O 1 1
7 1578 1 1 6 ILE C C 0.031 -0.821 -2.039 1.00 . A A . 5 ILE C 1 1
7 1579 1 1 6 ILE CA C 0.309 0.109 -3.241 1.00 . A A . 5 ILE CA 1 1
7 1580 1 1 6 ILE CB C 0.659 -0.758 -4.546 1.00 . A A . 5 ILE CB 1 1
7 1581 1 1 6 ILE CD1 C 0.606 1.276 -6.351 1.00 . A A . 5 ILE CD1 1 1
7 1582 1 1 6 ILE CG1 C 1.352 0.065 -5.723 1.00 . A A . 5 ILE CG1 1 1
7 1583 1 1 6 ILE CG2 C -0.561 -1.572 -5.079 1.00 . A A . 5 ILE CG2 1 1
7 1584 1 1 6 ILE H H 2.228 1.053 -3.395 1.00 . A A . 5 ILE H 1 1
7 1585 1 1 6 ILE HA H -0.583 0.674 -3.450 1.00 . A A . 5 ILE HA 1 1
7 1586 1 1 6 ILE HB H 1.373 -1.498 -4.216 1.00 . A A . 5 ILE HB 1 1
7 1587 1 1 6 ILE HD11 H 1.107 1.573 -7.258 1.00 . A A . 5 ILE HD11 1 1
7 1588 1 1 6 ILE HD12 H 0.607 2.101 -5.655 1.00 . A A . 5 ILE HD12 1 1
7 1589 1 1 6 ILE HD13 H -0.412 0.992 -6.580 1.00 . A A . 5 ILE HD13 1 1
7 1590 1 1 6 ILE HG12 H 2.284 0.448 -5.353 1.00 . A A . 5 ILE HG12 1 1
7 1591 1 1 6 ILE HG13 H 1.572 -0.630 -6.525 1.00 . A A . 5 ILE HG13 1 1
7 1592 1 1 6 ILE HG21 H -0.860 -2.304 -4.338 1.00 . A A . 5 ILE HG21 1 1
7 1593 1 1 6 ILE HG22 H -0.277 -2.074 -5.987 1.00 . A A . 5 ILE HG22 1 1
7 1594 1 1 6 ILE HG23 H -1.383 -0.900 -5.279 1.00 . A A . 5 ILE HG23 1 1
7 1595 1 1 6 ILE N N 1.377 1.104 -2.909 1.00 . A A . 5 ILE N 1 1
7 1596 1 1 6 ILE O O -1.161 -1.091 -1.764 1.00 . A A . 5 ILE O 1 1
7 1597 1 1 7 LEU C C 0.296 -1.519 1.014 1.00 . A A . 6 LEU C 1 1
7 1598 1 1 7 LEU CA C 1.024 -2.202 -0.168 1.00 . A A . 6 LEU CA 1 1
7 1599 1 1 7 LEU CB C 2.430 -2.678 0.237 1.00 . A A . 6 LEU CB 1 1
7 1600 1 1 7 LEU CD1 C 3.751 -4.662 1.026 1.00 . A A . 6 LEU CD1 1 1
7 1601 1 1 7 LEU CD2 C 2.448 -3.351 2.666 1.00 . A A . 6 LEU CD2 1 1
7 1602 1 1 7 LEU CG C 2.490 -3.851 1.232 1.00 . A A . 6 LEU CG 1 1
7 1603 1 1 7 LEU H H 2.021 -1.020 -1.642 1.00 . A A . 6 LEU H 1 1
7 1604 1 1 7 LEU HA H 0.449 -3.068 -0.476 1.00 . A A . 6 LEU HA 1 1
7 1605 1 1 7 LEU HB2 H 2.950 -2.976 -0.666 1.00 . A A . 6 LEU HB2 1 1
7 1606 1 1 7 LEU HB3 H 2.953 -1.837 0.670 1.00 . A A . 6 LEU HB3 1 1
7 1607 1 1 7 LEU HD11 H 3.864 -5.368 1.831 1.00 . A A . 6 LEU HD11 1 1
7 1608 1 1 7 LEU HD12 H 4.605 -4.001 1.001 1.00 . A A . 6 LEU HD12 1 1
7 1609 1 1 7 LEU HD13 H 3.679 -5.192 0.091 1.00 . A A . 6 LEU HD13 1 1
7 1610 1 1 7 LEU HD21 H 1.423 -3.204 2.962 1.00 . A A . 6 LEU HD21 1 1
7 1611 1 1 7 LEU HD22 H 2.984 -2.419 2.736 1.00 . A A . 6 LEU HD22 1 1
7 1612 1 1 7 LEU HD23 H 2.914 -4.083 3.310 1.00 . A A . 6 LEU HD23 1 1
7 1613 1 1 7 LEU HG H 1.641 -4.507 1.072 1.00 . A A . 6 LEU HG 1 1
7 1614 1 1 7 LEU N N 1.126 -1.289 -1.341 1.00 . A A . 6 LEU N 1 1
7 1615 1 1 7 LEU O O -0.617 -2.116 1.583 1.00 . A A . 6 LEU O 1 1
7 1616 1 1 8 . C C -1.504 0.684 2.267 1.00 . A A . 7 MK8 C 1 1
7 1617 1 1 8 . CA C 0.097 0.611 2.432 1.00 . A A . 7 MK8 CA 1 1
7 1618 1 1 8 . CB C 0.773 2.048 2.315 1.00 . A A . 7 MK8 CB 1 1
7 1619 1 1 8 . CB1 C 0.559 0.018 3.805 1.00 . A A . 7 MK8 CB1 1 1
7 1620 1 1 8 . CD C -0.002 3.247 4.523 1.00 . A A . 7 MK8 CD 1 1
7 1621 1 1 8 . CE C -1.067 4.166 5.228 1.00 . A A . 7 MK8 CE 1 1
7 1622 1 1 8 . CG C 0.126 3.316 2.989 1.00 . A A . 7 MK8 CG 1 1
7 1623 1 1 8 . HB H 0.874 2.270 1.257 1.00 . A A . 7 MK8 HB 1 1
7 1624 1 1 8 . HB1 H -0.249 -0.558 4.225 1.00 . A A . 7 MK8 HB1 1 1
7 1625 1 1 8 . HB1A H 0.813 0.826 4.482 1.00 . A A . 7 MK8 HB1A 1 1
7 1626 1 1 8 . HB1B H 1.424 -0.618 3.667 1.00 . A A . 7 MK8 HB1B 1 1
7 1627 1 1 8 . HBA H 1.762 1.970 2.730 1.00 . A A . 7 MK8 HBA 1 1
7 1628 1 1 8 . HD H 0.970 3.502 4.917 1.00 . A A . 7 MK8 HD 1 1
7 1629 1 1 8 . HDA H -0.233 2.224 4.810 1.00 . A A . 7 MK8 HDA 1 1
7 1630 1 1 8 . HE H -0.679 4.860 5.953 1.00 . A A . 7 MK8 HE 1 1
7 1631 1 1 8 . HG H -0.850 3.472 2.558 1.00 . A A . 7 MK8 HG 1 1
7 1632 1 1 8 . HGA H 0.745 4.171 2.754 1.00 . A A . 7 MK8 HGA 1 1
7 1633 1 1 8 . HN H 1.388 0.167 0.792 1.00 . A A . 7 MK8 HN 1 1
7 1634 1 1 8 . N N 0.692 -0.235 1.337 1.00 . A A . 7 MK8 N 1 1
7 1635 1 1 8 . O O -2.263 0.610 3.275 1.00 . A A . 7 MK8 O 1 1
7 1636 1 1 9 ARG C C -4.304 -0.084 0.635 1.00 . A A . 8 ARG C 1 1
7 1637 1 1 9 ARG CA C -3.428 1.166 0.644 1.00 . A A . 8 ARG CA 1 1
7 1638 1 1 9 ARG CB C -3.563 1.874 -0.703 1.00 . A A . 8 ARG CB 1 1
7 1639 1 1 9 ARG CD C -3.193 3.949 -2.068 1.00 . A A . 8 ARG CD 1 1
7 1640 1 1 9 ARG CG C -2.921 3.256 -0.747 1.00 . A A . 8 ARG CG 1 1
7 1641 1 1 9 ARG CZ C -2.605 6.143 -3.237 1.00 . A A . 8 ARG CZ 1 1
7 1642 1 1 9 ARG H H -1.319 1.051 0.240 1.00 . A A . 8 ARG H 1 1
7 1643 1 1 9 ARG HA H -3.817 1.831 1.399 1.00 . A A . 8 ARG HA 1 1
7 1644 1 1 9 ARG HB2 H -3.105 1.261 -1.466 1.00 . A A . 8 ARG HB2 1 1
7 1645 1 1 9 ARG HB3 H -4.615 1.980 -0.916 1.00 . A A . 8 ARG HB3 1 1
7 1646 1 1 9 ARG HD2 H -2.816 3.328 -2.865 1.00 . A A . 8 ARG HD2 1 1
7 1647 1 1 9 ARG HD3 H -4.254 4.062 -2.183 1.00 . A A . 8 ARG HD3 1 1
7 1648 1 1 9 ARG HE H -2.076 5.589 -1.364 1.00 . A A . 8 ARG HE 1 1
7 1649 1 1 9 ARG HG2 H -3.311 3.860 0.059 1.00 . A A . 8 ARG HG2 1 1
7 1650 1 1 9 ARG HG3 H -1.854 3.144 -0.623 1.00 . A A . 8 ARG HG3 1 1
7 1651 1 1 9 ARG HH11 H -3.710 4.961 -4.470 1.00 . A A . 8 ARG HH11 1 1
7 1652 1 1 9 ARG HH12 H -3.212 6.477 -5.153 1.00 . A A . 8 ARG HH12 1 1
7 1653 1 1 9 ARG HH21 H -1.521 7.570 -2.309 1.00 . A A . 8 ARG HH21 1 1
7 1654 1 1 9 ARG HH22 H -1.997 7.941 -3.936 1.00 . A A . 8 ARG HH22 1 1
7 1655 1 1 9 ARG N N -1.979 0.930 0.968 1.00 . A A . 8 ARG N 1 1
7 1656 1 1 9 ARG NE N -2.563 5.292 -2.153 1.00 . A A . 8 ARG NE 1 1
7 1657 1 1 9 ARG NH1 N -3.235 5.837 -4.382 1.00 . A A . 8 ARG NH1 1 1
7 1658 1 1 9 ARG NH2 N -1.995 7.317 -3.153 1.00 . A A . 8 ARG NH2 1 1
7 1659 1 1 9 ARG O O -5.495 0.051 0.984 1.00 . A A . 8 ARG O 1 1
7 1660 1 1 10 LEU C C -4.695 -3.056 1.626 1.00 . A A . 9 LEU C 1 1
7 1661 1 1 10 LEU CA C -4.434 -2.561 0.193 1.00 . A A . 9 LEU CA 1 1
7 1662 1 1 10 LEU CB C -3.621 -3.603 -0.597 1.00 . A A . 9 LEU CB 1 1
7 1663 1 1 10 LEU CD1 C -5.173 -4.688 -2.294 1.00 . A A . 9 LEU CD1 1 1
7 1664 1 1 10 LEU CD2 C -3.402 -6.038 -1.163 1.00 . A A . 9 LEU CD2 1 1
7 1665 1 1 10 LEU CG C -4.377 -4.887 -1.005 1.00 . A A . 9 LEU CG 1 1
7 1666 1 1 10 LEU H H -2.790 -1.244 -0.035 1.00 . A A . 9 LEU H 1 1
7 1667 1 1 10 LEU HA H -5.386 -2.399 -0.294 1.00 . A A . 9 LEU HA 1 1
7 1668 1 1 10 LEU HB2 H -3.245 -3.132 -1.496 1.00 . A A . 9 LEU HB2 1 1
7 1669 1 1 10 LEU HB3 H -2.772 -3.891 0.011 1.00 . A A . 9 LEU HB3 1 1
7 1670 1 1 10 LEU HD11 H -4.814 -5.368 -3.048 1.00 . A A . 9 LEU HD11 1 1
7 1671 1 1 10 LEU HD12 H -5.054 -3.672 -2.640 1.00 . A A . 9 LEU HD12 1 1
7 1672 1 1 10 LEU HD13 H -6.217 -4.879 -2.108 1.00 . A A . 9 LEU HD13 1 1
7 1673 1 1 10 LEU HD21 H -3.252 -6.250 -2.212 1.00 . A A . 9 LEU HD21 1 1
7 1674 1 1 10 LEU HD22 H -3.797 -6.919 -0.674 1.00 . A A . 9 LEU HD22 1 1
7 1675 1 1 10 LEU HD23 H -2.458 -5.772 -0.715 1.00 . A A . 9 LEU HD23 1 1
7 1676 1 1 10 LEU HG H -5.079 -5.145 -0.222 1.00 . A A . 9 LEU HG 1 1
7 1677 1 1 10 LEU N N -3.718 -1.267 0.240 1.00 . A A . 9 LEU N 1 1
7 1678 1 1 10 LEU O O -5.734 -3.688 1.882 1.00 . A A . 9 LEU O 1 1
7 1679 1 1 11 LEU C C -4.685 -2.222 4.806 1.00 . A A . 10 LEU C 1 1
7 1680 1 1 11 LEU CA C -3.740 -3.115 3.969 1.00 . A A . 10 LEU CA 1 1
7 1681 1 1 11 LEU CB C -2.278 -3.046 4.549 1.00 . A A . 10 LEU CB 1 1
7 1682 1 1 11 LEU CD1 C -2.598 -3.911 7.005 1.00 . A A . 10 LEU CD1 1 1
7 1683 1 1 11 LEU CD2 C -1.762 -5.488 5.232 1.00 . A A . 10 LEU CD2 1 1
7 1684 1 1 11 LEU CG C -1.802 -4.026 5.694 1.00 . A A . 10 LEU CG 1 1
7 1685 1 1 11 LEU H H -2.936 -2.255 2.222 1.00 . A A . 10 LEU H 1 1
7 1686 1 1 11 LEU HA H -4.076 -4.142 4.033 1.00 . A A . 10 LEU HA 1 1
7 1687 1 1 11 LEU HB2 H -1.604 -3.190 3.723 1.00 . A A . 10 LEU HB2 1 1
7 1688 1 1 11 LEU HB3 H -2.133 -2.039 4.913 1.00 . A A . 10 LEU HB3 1 1
7 1689 1 1 11 LEU HD11 H -1.972 -3.467 7.770 1.00 . A A . 10 LEU HD11 1 1
7 1690 1 1 11 LEU HD12 H -2.906 -4.896 7.320 1.00 . A A . 10 LEU HD12 1 1
7 1691 1 1 11 LEU HD13 H -3.470 -3.296 6.849 1.00 . A A . 10 LEU HD13 1 1
7 1692 1 1 11 LEU HD21 H -1.717 -6.135 6.092 1.00 . A A . 10 LEU HD21 1 1
7 1693 1 1 11 LEU HD22 H -0.891 -5.645 4.606 1.00 . A A . 10 LEU HD22 1 1
7 1694 1 1 11 LEU HD23 H -2.655 -5.698 4.668 1.00 . A A . 10 LEU HD23 1 1
7 1695 1 1 11 LEU HG H -0.783 -3.754 5.942 1.00 . A A . 10 LEU HG 1 1
7 1696 1 1 11 LEU N N -3.711 -2.741 2.540 1.00 . A A . 10 LEU N 1 1
7 1697 1 1 11 LEU O O -5.688 -2.718 5.331 1.00 . A A . 10 LEU O 1 1
7 1698 1 1 12 . C C -6.591 0.203 5.399 1.00 . A A . 11 MK8 C 1 1
7 1699 1 1 12 . CA C -5.076 0.141 5.802 1.00 . A A . 11 MK8 CA 1 1
7 1700 1 1 12 . CB C -4.367 1.550 5.734 1.00 . A A . 11 MK8 CB 1 1
7 1701 1 1 12 . CB1 C -4.975 -0.240 7.290 1.00 . A A . 11 MK8 CB1 1 1
7 1702 1 1 12 . CD C -3.275 3.275 4.027 1.00 . A A . 11 MK8 CD 1 1
7 1703 1 1 12 . CE C -2.451 4.186 5.027 1.00 . A A . 11 MK8 CE 1 1
7 1704 1 1 12 . CG C -4.518 2.430 4.446 1.00 . A A . 11 MK8 CG 1 1
7 1705 1 1 12 . HB H -3.305 1.399 5.899 1.00 . A A . 11 MK8 HB 1 1
7 1706 1 1 12 . HB1 H -5.833 0.150 7.808 1.00 . A A . 11 MK8 HB1 1 1
7 1707 1 1 12 . HB1A H -4.067 0.177 7.721 1.00 . A A . 11 MK8 HB1A 1 1
7 1708 1 1 12 . HB1B H -4.963 -1.312 7.371 1.00 . A A . 11 MK8 HB1B 1 1
7 1709 1 1 12 . HBA H -4.745 2.137 6.548 1.00 . A A . 11 MK8 HBA 1 1
7 1710 1 1 12 . HD H -3.610 3.918 3.223 1.00 . A A . 11 MK8 HD 1 1
7 1711 1 1 12 . HDA H -2.561 2.598 3.613 1.00 . A A . 11 MK8 HDA 1 1
7 1712 1 1 12 . HE H -3.014 4.898 5.609 1.00 . A A . 11 MK8 HE 1 1
7 1713 1 1 12 . HG H -5.338 3.109 4.605 1.00 . A A . 11 MK8 HG 1 1
7 1714 1 1 12 . HGA H -4.767 1.770 3.636 1.00 . A A . 11 MK8 HGA 1 1
7 1715 1 1 12 . HN H -3.501 -0.572 4.539 1.00 . A A . 11 MK8 HN 1 1
7 1716 1 1 12 . N N -4.321 -0.872 4.972 1.00 . A A . 11 MK8 N 1 1
7 1717 1 1 12 . O O -7.389 0.919 6.055 1.00 . A A . 11 MK8 O 1 1
7 1718 1 1 13 ASP C C -9.281 -1.319 4.724 1.00 . A A . 12 ASP C 1 1
7 1719 1 1 13 ASP CA C -8.325 -0.624 3.743 1.00 . A A . 12 ASP CA 1 1
7 1720 1 1 13 ASP CB C -8.326 -1.356 2.382 1.00 . A A . 12 ASP CB 1 1
7 1721 1 1 13 ASP CG C -9.681 -1.342 1.697 1.00 . A A . 12 ASP CG 1 1
7 1722 1 1 13 ASP H H -6.252 -1.063 3.841 1.00 . A A . 12 ASP H 1 1
7 1723 1 1 13 ASP HA H -8.670 0.393 3.599 1.00 . A A . 12 ASP HA 1 1
7 1724 1 1 13 ASP HB2 H -7.615 -0.891 1.728 1.00 . A A . 12 ASP HB2 1 1
7 1725 1 1 13 ASP HB3 H -8.043 -2.386 2.536 1.00 . A A . 12 ASP HB3 1 1
7 1726 1 1 13 ASP N N -6.951 -0.550 4.293 1.00 . A A . 12 ASP N 1 1
7 1727 1 1 13 ASP O O -10.404 -0.822 4.928 1.00 . A A . 12 ASP O 1 1
7 1728 1 1 13 ASP OD1 O -10.637 -1.904 2.268 1.00 . A A . 12 ASP OD1 1 1
7 1729 1 1 13 ASP OD2 O -9.791 -0.759 0.595 1.00 . A A . 12 ASP OD2 1 1
7 1730 1 1 14 SER C C -9.635 -2.598 7.638 1.00 . A A . 13 SER C 1 1
7 1731 1 1 14 SER CA C -9.561 -3.287 6.286 1.00 . A A . 13 SER CA 1 1
7 1732 1 1 14 SER CB C -8.914 -4.665 6.450 1.00 . A A . 13 SER CB 1 1
7 1733 1 1 14 SER H H -7.899 -2.756 5.070 1.00 . A A . 13 SER H 1 1
7 1734 1 1 14 SER HA H -10.562 -3.413 5.910 1.00 . A A . 13 SER HA 1 1
7 1735 1 1 14 SER HB2 H -8.908 -5.172 5.502 1.00 . A A . 13 SER HB2 1 1
7 1736 1 1 14 SER HB3 H -7.905 -4.544 6.808 1.00 . A A . 13 SER HB3 1 1
7 1737 1 1 14 SER HG H -9.850 -6.302 6.987 1.00 . A A . 13 SER HG 1 1
7 1738 1 1 14 SER N N -8.804 -2.465 5.312 1.00 . A A . 13 SER N 1 1
7 1739 1 1 14 SER O O -10.712 -2.406 8.193 1.00 . A A . 13 SER O 1 1
7 1740 1 1 14 SER OG O -9.634 -5.458 7.384 1.00 . A A . 13 SER OG 1 1
7 1741 1 1 15 NH2 HN1 H -7.663 -2.314 7.629 1.00 . A A . 14 NH2 HN1 1 1
7 1742 1 1 15 NH2 HN2 H -8.512 -1.720 9.009 1.00 . A A . 14 NH2 HN2 1 1
7 1743 1 1 15 NH2 N N -8.487 -2.167 8.144 1.00 . A A . 14 NH2 N 1 1
8 1744 1 1 1 ACE C C 7.833 2.883 -5.238 1.00 . A A . 0 ACE C 1 1
8 1745 1 1 1 ACE CH3 C 9.329 2.943 -5.513 1.00 . A A . 0 ACE CH3 1 1
8 1746 1 1 1 ACE H1 H 9.597 3.949 -5.802 1.00 . A A . 0 ACE H1 1 1
8 1747 1 1 1 ACE H2 H 9.584 2.265 -6.313 1.00 . A A . 0 ACE H2 1 1
8 1748 1 1 1 ACE H3 H 9.876 2.669 -4.622 1.00 . A A . 0 ACE H3 1 1
8 1749 1 1 1 ACE O O 7.410 3.059 -4.082 1.00 . A A . 0 ACE O 1 1
8 1750 1 1 2 GLU C C 5.042 1.307 -5.643 1.00 . A A . 1 GLU C 1 1
8 1751 1 1 2 GLU CA C 5.557 2.596 -6.317 1.00 . A A . 1 GLU CA 1 1
8 1752 1 1 2 GLU CB C 5.032 2.715 -7.768 1.00 . A A . 1 GLU CB 1 1
8 1753 1 1 2 GLU CD C 2.700 1.779 -8.040 1.00 . A A . 1 GLU CD 1 1
8 1754 1 1 2 GLU CG C 3.542 3.027 -7.907 1.00 . A A . 1 GLU CG 1 1
8 1755 1 1 2 GLU H H 7.487 2.567 -7.210 1.00 . A A . 1 GLU H 1 1
8 1756 1 1 2 GLU HA H 5.207 3.440 -5.755 1.00 . A A . 1 GLU HA 1 1
8 1757 1 1 2 GLU HB2 H 5.577 3.496 -8.276 1.00 . A A . 1 GLU HB2 1 1
8 1758 1 1 2 GLU HB3 H 5.225 1.779 -8.269 1.00 . A A . 1 GLU HB3 1 1
8 1759 1 1 2 GLU HG2 H 3.221 3.574 -7.041 1.00 . A A . 1 GLU HG2 1 1
8 1760 1 1 2 GLU HG3 H 3.393 3.638 -8.788 1.00 . A A . 1 GLU HG3 1 1
8 1761 1 1 2 GLU N N 7.040 2.663 -6.338 1.00 . A A . 1 GLU N 1 1
8 1762 1 1 2 GLU O O 3.815 1.133 -5.541 1.00 . A A . 1 GLU O 1 1
8 1763 1 1 2 GLU OE1 O 2.910 1.026 -9.012 1.00 . A A . 1 GLU OE1 1 1
8 1764 1 1 2 GLU OE2 O 1.824 1.564 -7.182 1.00 . A A . 1 GLU OE2 1 1
8 1765 1 1 3 LYS C C 5.219 -0.720 -3.111 1.00 . A A . 2 LYS C 1 1
8 1766 1 1 3 LYS CA C 5.711 -0.878 -4.553 1.00 . A A . 2 LYS CA 1 1
8 1767 1 1 3 LYS CB C 6.953 -1.785 -4.610 1.00 . A A . 2 LYS CB 1 1
8 1768 1 1 3 LYS CD C 7.919 -4.112 -4.464 1.00 . A A . 2 LYS CD 1 1
8 1769 1 1 3 LYS CE C 7.622 -5.583 -4.181 1.00 . A A . 2 LYS CE 1 1
8 1770 1 1 3 LYS CG C 6.660 -3.270 -4.393 1.00 . A A . 2 LYS CG 1 1
8 1771 1 1 3 LYS H H 6.948 0.654 -5.331 1.00 . A A . 2 LYS H 1 1
8 1772 1 1 3 LYS HA H 4.921 -1.344 -5.121 1.00 . A A . 2 LYS HA 1 1
8 1773 1 1 3 LYS HB2 H 7.413 -1.677 -5.577 1.00 . A A . 2 LYS HB2 1 1
8 1774 1 1 3 LYS HB3 H 7.656 -1.459 -3.853 1.00 . A A . 2 LYS HB3 1 1
8 1775 1 1 3 LYS HD2 H 8.345 -4.030 -5.458 1.00 . A A . 2 LYS HD2 1 1
8 1776 1 1 3 LYS HD3 H 8.624 -3.745 -3.734 1.00 . A A . 2 LYS HD3 1 1
8 1777 1 1 3 LYS HE2 H 6.878 -5.935 -4.882 1.00 . A A . 2 LYS HE2 1 1
8 1778 1 1 3 LYS HE3 H 8.532 -6.149 -4.304 1.00 . A A . 2 LYS HE3 1 1
8 1779 1 1 3 LYS HG2 H 6.205 -3.402 -3.425 1.00 . A A . 2 LYS HG2 1 1
8 1780 1 1 3 LYS HG3 H 5.979 -3.604 -5.160 1.00 . A A . 2 LYS HG3 1 1
8 1781 1 1 3 LYS HZ1 H 6.098 -5.546 -2.742 1.00 . A A . 2 LYS HZ1 1 1
8 1782 1 1 3 LYS HZ2 H 7.629 -5.159 -2.135 1.00 . A A . 2 LYS HZ2 1 1
8 1783 1 1 3 LYS HZ3 H 7.246 -6.770 -2.492 1.00 . A A . 2 LYS HZ3 1 1
8 1784 1 1 3 LYS N N 6.008 0.419 -5.199 1.00 . A A . 2 LYS N 1 1
8 1785 1 1 3 LYS NZ N 7.115 -5.782 -2.790 1.00 . A A . 2 LYS NZ 1 1
8 1786 1 1 3 LYS O O 4.241 -1.393 -2.714 1.00 . A A . 2 LYS O 1 1
8 1787 1 1 4 HIS C C 4.305 1.213 -0.743 1.00 . A A . 3 HIS C 1 1
8 1788 1 1 4 HIS CA C 5.619 0.446 -0.901 1.00 . A A . 3 HIS CA 1 1
8 1789 1 1 4 HIS CB C 6.807 1.209 -0.255 1.00 . A A . 3 HIS CB 1 1
8 1790 1 1 4 HIS CD2 C 6.664 2.272 2.124 1.00 . A A . 3 HIS CD2 1 1
8 1791 1 1 4 HIS CE1 C 6.905 0.454 3.319 1.00 . A A . 3 HIS CE1 1 1
8 1792 1 1 4 HIS CG C 6.804 1.239 1.257 1.00 . A A . 3 HIS CG 1 1
8 1793 1 1 4 HIS H H 6.651 0.666 -2.749 1.00 . A A . 3 HIS H 1 1
8 1794 1 1 4 HIS HA H 5.517 -0.512 -0.411 1.00 . A A . 3 HIS HA 1 1
8 1795 1 1 4 HIS HB2 H 7.720 0.735 -0.568 1.00 . A A . 3 HIS HB2 1 1
8 1796 1 1 4 HIS HB3 H 6.805 2.230 -0.606 1.00 . A A . 3 HIS HB3 1 1
8 1797 1 1 4 HIS HD1 H 7.055 -0.794 1.711 1.00 . A A . 3 HIS HD1 1 1
8 1798 1 1 4 HIS HD2 H 6.521 3.307 1.862 1.00 . A A . 3 HIS HD2 1 1
8 1799 1 1 4 HIS HE1 H 6.993 -0.222 4.156 1.00 . A A . 3 HIS HE1 1 1
8 1800 1 1 4 HIS HE2 H 6.739 2.273 4.229 1.00 . A A . 3 HIS HE2 1 1
8 1801 1 1 4 HIS N N 5.910 0.189 -2.336 1.00 . A A . 3 HIS N 1 1
8 1802 1 1 4 HIS ND1 N 6.954 0.115 2.039 1.00 . A A . 3 HIS ND1 1 1
8 1803 1 1 4 HIS NE2 N 6.731 1.754 3.395 1.00 . A A . 3 HIS NE2 1 1
8 1804 1 1 4 HIS O O 3.592 0.978 0.257 1.00 . A A . 3 HIS O 1 1
8 1805 1 1 5 LYS C C 1.484 2.000 -1.948 1.00 . A A . 4 LYS C 1 1
8 1806 1 1 5 LYS CA C 2.735 2.876 -1.803 1.00 . A A . 4 LYS CA 1 1
8 1807 1 1 5 LYS CB C 2.788 3.909 -2.939 1.00 . A A . 4 LYS CB 1 1
8 1808 1 1 5 LYS CD C 3.801 6.028 -3.833 1.00 . A A . 4 LYS CD 1 1
8 1809 1 1 5 LYS CE C 4.822 7.131 -3.599 1.00 . A A . 4 LYS CE 1 1
8 1810 1 1 5 LYS CG C 3.862 4.967 -2.746 1.00 . A A . 4 LYS CG 1 1
8 1811 1 1 5 LYS H H 4.597 2.149 -2.527 1.00 . A A . 4 LYS H 1 1
8 1812 1 1 5 LYS HA H 2.668 3.405 -0.855 1.00 . A A . 4 LYS HA 1 1
8 1813 1 1 5 LYS HB2 H 2.981 3.395 -3.876 1.00 . A A . 4 LYS HB2 1 1
8 1814 1 1 5 LYS HB3 H 1.825 4.410 -3.002 1.00 . A A . 4 LYS HB3 1 1
8 1815 1 1 5 LYS HD2 H 3.997 5.561 -4.786 1.00 . A A . 4 LYS HD2 1 1
8 1816 1 1 5 LYS HD3 H 2.809 6.457 -3.833 1.00 . A A . 4 LYS HD3 1 1
8 1817 1 1 5 LYS HE2 H 4.626 7.593 -2.646 1.00 . A A . 4 LYS HE2 1 1
8 1818 1 1 5 LYS HE3 H 5.805 6.688 -3.583 1.00 . A A . 4 LYS HE3 1 1
8 1819 1 1 5 LYS HG2 H 3.712 5.441 -1.786 1.00 . A A . 4 LYS HG2 1 1
8 1820 1 1 5 LYS HG3 H 4.835 4.493 -2.767 1.00 . A A . 4 LYS HG3 1 1
8 1821 1 1 5 LYS HZ1 H 4.465 9.082 -4.262 1.00 . A A . 4 LYS HZ1 1 1
8 1822 1 1 5 LYS HZ2 H 4.114 7.892 -5.413 1.00 . A A . 4 LYS HZ2 1 1
8 1823 1 1 5 LYS HZ3 H 5.727 8.295 -5.084 1.00 . A A . 4 LYS HZ3 1 1
8 1824 1 1 5 LYS N N 3.978 2.076 -1.768 1.00 . A A . 4 LYS N 1 1
8 1825 1 1 5 LYS NZ N 4.779 8.175 -4.665 1.00 . A A . 4 LYS NZ 1 1
8 1826 1 1 5 LYS O O 0.512 2.180 -1.176 1.00 . A A . 4 LYS O 1 1
8 1827 1 1 6 ILE C C 0.077 -0.849 -2.071 1.00 . A A . 5 ILE C 1 1
8 1828 1 1 6 ILE CA C 0.397 0.117 -3.250 1.00 . A A . 5 ILE CA 1 1
8 1829 1 1 6 ILE CB C 0.637 -0.632 -4.633 1.00 . A A . 5 ILE CB 1 1
8 1830 1 1 6 ILE CD1 C -1.661 -0.575 -5.811 1.00 . A A . 5 ILE CD1 1 1
8 1831 1 1 6 ILE CG1 C -0.604 -1.426 -5.135 1.00 . A A . 5 ILE CG1 1 1
8 1832 1 1 6 ILE CG2 C 1.868 -1.551 -4.620 1.00 . A A . 5 ILE CG2 1 1
8 1833 1 1 6 ILE H H 2.340 0.945 -3.474 1.00 . A A . 5 ILE H 1 1
8 1834 1 1 6 ILE HA H -0.458 0.758 -3.382 1.00 . A A . 5 ILE HA 1 1
8 1835 1 1 6 ILE HB H 0.848 0.141 -5.352 1.00 . A A . 5 ILE HB 1 1
8 1836 1 1 6 ILE HD11 H -1.333 -0.302 -6.802 1.00 . A A . 5 ILE HD11 1 1
8 1837 1 1 6 ILE HD12 H -1.829 0.320 -5.233 1.00 . A A . 5 ILE HD12 1 1
8 1838 1 1 6 ILE HD13 H -2.577 -1.141 -5.876 1.00 . A A . 5 ILE HD13 1 1
8 1839 1 1 6 ILE HG12 H -0.275 -2.161 -5.848 1.00 . A A . 5 ILE HG12 1 1
8 1840 1 1 6 ILE HG13 H -1.071 -1.929 -4.291 1.00 . A A . 5 ILE HG13 1 1
8 1841 1 1 6 ILE HG21 H 1.616 -2.480 -4.134 1.00 . A A . 5 ILE HG21 1 1
8 1842 1 1 6 ILE HG22 H 2.674 -1.068 -4.091 1.00 . A A . 5 ILE HG22 1 1
8 1843 1 1 6 ILE HG23 H 2.175 -1.747 -5.638 1.00 . A A . 5 ILE HG23 1 1
8 1844 1 1 6 ILE N N 1.528 1.023 -2.937 1.00 . A A . 5 ILE N 1 1
8 1845 1 1 6 ILE O O -1.124 -1.069 -1.799 1.00 . A A . 5 ILE O 1 1
8 1846 1 1 7 LEU C C 0.274 -1.565 0.945 1.00 . A A . 6 LEU C 1 1
8 1847 1 1 7 LEU CA C 1.014 -2.283 -0.215 1.00 . A A . 6 LEU CA 1 1
8 1848 1 1 7 LEU CB C 2.399 -2.797 0.261 1.00 . A A . 6 LEU CB 1 1
8 1849 1 1 7 LEU CD1 C 2.306 -5.320 0.411 1.00 . A A . 6 LEU CD1 1 1
8 1850 1 1 7 LEU CD2 C 3.607 -4.009 2.119 1.00 . A A . 6 LEU CD2 1 1
8 1851 1 1 7 LEU CG C 2.379 -4.019 1.204 1.00 . A A . 6 LEU CG 1 1
8 1852 1 1 7 LEU H H 2.057 -1.103 -1.647 1.00 . A A . 6 LEU H 1 1
8 1853 1 1 7 LEU HA H 0.427 -3.128 -0.547 1.00 . A A . 6 LEU HA 1 1
8 1854 1 1 7 LEU HB2 H 2.978 -3.054 -0.615 1.00 . A A . 6 LEU HB2 1 1
8 1855 1 1 7 LEU HB3 H 2.896 -1.990 0.776 1.00 . A A . 6 LEU HB3 1 1
8 1856 1 1 7 LEU HD11 H 2.673 -6.130 1.017 1.00 . A A . 6 LEU HD11 1 1
8 1857 1 1 7 LEU HD12 H 2.912 -5.233 -0.479 1.00 . A A . 6 LEU HD12 1 1
8 1858 1 1 7 LEU HD13 H 1.277 -5.512 0.131 1.00 . A A . 6 LEU HD13 1 1
8 1859 1 1 7 LEU HD21 H 4.017 -5.009 2.189 1.00 . A A . 6 LEU HD21 1 1
8 1860 1 1 7 LEU HD22 H 3.332 -3.661 3.106 1.00 . A A . 6 LEU HD22 1 1
8 1861 1 1 7 LEU HD23 H 4.345 -3.347 1.701 1.00 . A A . 6 LEU HD23 1 1
8 1862 1 1 7 LEU HG H 1.499 -3.963 1.822 1.00 . A A . 6 LEU HG 1 1
8 1863 1 1 7 LEU N N 1.155 -1.360 -1.365 1.00 . A A . 6 LEU N 1 1
8 1864 1 1 7 LEU O O -0.854 -1.962 1.292 1.00 . A A . 6 LEU O 1 1
8 1865 1 1 8 . C C -1.133 0.673 2.482 1.00 . A A . 7 MK8 C 1 1
8 1866 1 1 8 . CA C 0.418 0.289 2.702 1.00 . A A . 7 MK8 CA 1 1
8 1867 1 1 8 . CB C 1.347 1.574 2.895 1.00 . A A . 7 MK8 CB 1 1
8 1868 1 1 8 . CB1 C 0.669 -0.571 3.964 1.00 . A A . 7 MK8 CB1 1 1
8 1869 1 1 8 . CD C 0.357 2.555 5.162 1.00 . A A . 7 MK8 CD 1 1
8 1870 1 1 8 . CE C -0.408 3.687 5.917 1.00 . A A . 7 MK8 CE 1 1
8 1871 1 1 8 . CG C 0.841 2.834 3.715 1.00 . A A . 7 MK8 CG 1 1
8 1872 1 1 8 . HB H 1.625 1.924 1.898 1.00 . A A . 7 MK8 HB 1 1
8 1873 1 1 8 . HB1 H 1.347 -0.049 4.621 1.00 . A A . 7 MK8 HB1 1 1
8 1874 1 1 8 . HB1A H 1.105 -1.519 3.672 1.00 . A A . 7 MK8 HB1A 1 1
8 1875 1 1 8 . HB1B H -0.266 -0.748 4.470 1.00 . A A . 7 MK8 HB1B 1 1
8 1876 1 1 8 . HBA H 2.244 1.246 3.390 1.00 . A A . 7 MK8 HBA 1 1
8 1877 1 1 8 . HD H 1.224 2.294 5.754 1.00 . A A . 7 MK8 HD 1 1
8 1878 1 1 8 . HDA H -0.292 1.707 5.137 1.00 . A A . 7 MK8 HDA 1 1
8 1879 1 1 8 . HE H 0.139 4.603 6.079 1.00 . A A . 7 MK8 HE 1 1
8 1880 1 1 8 . HG H 0.036 3.293 3.167 1.00 . A A . 7 MK8 HG 1 1
8 1881 1 1 8 . HGA H 1.651 3.540 3.779 1.00 . A A . 7 MK8 HGA 1 1
8 1882 1 1 8 . HN H 1.840 -0.293 1.229 1.00 . A A . 7 MK8 HN 1 1
8 1883 1 1 8 . N N 0.942 -0.508 1.552 1.00 . A A . 7 MK8 N 1 1
8 1884 1 1 8 . O O -1.896 0.755 3.474 1.00 . A A . 7 MK8 O 1 1
8 1885 1 1 9 ARG C C -3.980 0.398 0.835 1.00 . A A . 8 ARG C 1 1
8 1886 1 1 9 ARG CA C -2.906 1.488 0.823 1.00 . A A . 8 ARG CA 1 1
8 1887 1 1 9 ARG CB C -2.885 2.176 -0.558 1.00 . A A . 8 ARG CB 1 1
8 1888 1 1 9 ARG CD C -2.411 4.265 -1.879 1.00 . A A . 8 ARG CD 1 1
8 1889 1 1 9 ARG CG C -2.164 3.520 -0.573 1.00 . A A . 8 ARG CG 1 1
8 1890 1 1 9 ARG CZ C -1.761 6.484 -2.968 1.00 . A A . 8 ARG CZ 1 1
8 1891 1 1 9 ARG H H -0.873 0.994 0.463 1.00 . A A . 8 ARG H 1 1
8 1892 1 1 9 ARG HA H -3.177 2.230 1.561 1.00 . A A . 8 ARG HA 1 1
8 1893 1 1 9 ARG HB2 H -2.400 1.521 -1.268 1.00 . A A . 8 ARG HB2 1 1
8 1894 1 1 9 ARG HB3 H -3.904 2.340 -0.874 1.00 . A A . 8 ARG HB3 1 1
8 1895 1 1 9 ARG HD2 H -2.031 3.672 -2.708 1.00 . A A . 8 ARG HD2 1 1
8 1896 1 1 9 ARG HD3 H -3.477 4.409 -2.000 1.00 . A A . 8 ARG HD3 1 1
8 1897 1 1 9 ARG HE H -1.238 5.839 -1.114 1.00 . A A . 8 ARG HE 1 1
8 1898 1 1 9 ARG HG2 H -2.536 4.119 0.253 1.00 . A A . 8 ARG HG2 1 1
8 1899 1 1 9 ARG HG3 H -1.101 3.360 -0.457 1.00 . A A . 8 ARG HG3 1 1
8 1900 1 1 9 ARG HH11 H -2.959 5.410 -4.211 1.00 . A A . 8 ARG HH11 1 1
8 1901 1 1 9 ARG HH12 H -2.390 6.915 -4.850 1.00 . A A . 8 ARG HH12 1 1
8 1902 1 1 9 ARG HH21 H -0.603 7.841 -2.013 1.00 . A A . 8 ARG HH21 1 1
8 1903 1 1 9 ARG HH22 H -1.097 8.290 -3.610 1.00 . A A . 8 ARG HH22 1 1
8 1904 1 1 9 ARG N N -1.541 0.994 1.177 1.00 . A A . 8 ARG N 1 1
8 1905 1 1 9 ARG NE N -1.745 5.587 -1.913 1.00 . A A . 8 ARG NE 1 1
8 1906 1 1 9 ARG NH1 N -2.433 6.254 -4.104 1.00 . A A . 8 ARG NH1 1 1
8 1907 1 1 9 ARG NH2 N -1.100 7.633 -2.852 1.00 . A A . 8 ARG NH2 1 1
8 1908 1 1 9 ARG O O -5.114 0.698 1.280 1.00 . A A . 8 ARG O 1 1
8 1909 1 1 10 LEU C C -4.837 -2.508 1.737 1.00 . A A . 9 LEU C 1 1
8 1910 1 1 10 LEU CA C -4.536 -2.008 0.319 1.00 . A A . 9 LEU CA 1 1
8 1911 1 1 10 LEU CB C -3.916 -3.137 -0.542 1.00 . A A . 9 LEU CB 1 1
8 1912 1 1 10 LEU CD1 C -5.669 -3.953 -2.168 1.00 . A A . 9 LEU CD1 1 1
8 1913 1 1 10 LEU CD2 C -4.060 -5.568 -1.157 1.00 . A A . 9 LEU CD2 1 1
8 1914 1 1 10 LEU CG C -4.856 -4.298 -0.931 1.00 . A A . 9 LEU CG 1 1
8 1915 1 1 10 LEU H H -2.699 -0.969 0.030 1.00 . A A . 9 LEU H 1 1
8 1916 1 1 10 LEU HA H -5.462 -1.674 -0.137 1.00 . A A . 9 LEU HA 1 1
8 1917 1 1 10 LEU HB2 H -3.553 -2.688 -1.452 1.00 . A A . 9 LEU HB2 1 1
8 1918 1 1 10 LEU HB3 H -3.065 -3.553 -0.014 1.00 . A A . 9 LEU HB3 1 1
8 1919 1 1 10 LEU HD11 H -5.696 -2.881 -2.295 1.00 . A A . 9 LEU HD11 1 1
8 1920 1 1 10 LEU HD12 H -6.677 -4.324 -2.045 1.00 . A A . 9 LEU HD12 1 1
8 1921 1 1 10 LEU HD13 H -5.215 -4.411 -3.037 1.00 . A A . 9 LEU HD13 1 1
8 1922 1 1 10 LEU HD21 H -4.603 -6.405 -0.743 1.00 . A A . 9 LEU HD21 1 1
8 1923 1 1 10 LEU HD22 H -3.099 -5.489 -0.670 1.00 . A A . 9 LEU HD22 1 1
8 1924 1 1 10 LEU HD23 H -3.914 -5.724 -2.215 1.00 . A A . 9 LEU HD23 1 1
8 1925 1 1 10 LEU HG H -5.549 -4.475 -0.117 1.00 . A A . 9 LEU HG 1 1
8 1926 1 1 10 LEU N N -3.612 -0.849 0.368 1.00 . A A . 9 LEU N 1 1
8 1927 1 1 10 LEU O O -5.911 -3.114 1.953 1.00 . A A . 9 LEU O 1 1
8 1928 1 1 11 LEU C C -4.913 -1.786 4.933 1.00 . A A . 10 LEU C 1 1
8 1929 1 1 11 LEU CA C -3.953 -2.681 4.101 1.00 . A A . 10 LEU CA 1 1
8 1930 1 1 11 LEU CB C -2.541 -2.719 4.744 1.00 . A A . 10 LEU CB 1 1
8 1931 1 1 11 LEU CD1 C -1.027 -4.008 6.289 1.00 . A A . 10 LEU CD1 1 1
8 1932 1 1 11 LEU CD2 C -2.769 -2.494 7.251 1.00 . A A . 10 LEU CD2 1 1
8 1933 1 1 11 LEU CG C -2.427 -3.438 6.102 1.00 . A A . 10 LEU CG 1 1
8 1934 1 1 11 LEU H H -3.040 -1.815 2.378 1.00 . A A . 10 LEU H 1 1
8 1935 1 1 11 LEU HA H -4.356 -3.688 4.102 1.00 . A A . 10 LEU HA 1 1
8 1936 1 1 11 LEU HB2 H -1.877 -3.205 4.057 1.00 . A A . 10 LEU HB2 1 1
8 1937 1 1 11 LEU HB3 H -2.208 -1.699 4.881 1.00 . A A . 10 LEU HB3 1 1
8 1938 1 1 11 LEU HD11 H -0.688 -4.461 5.366 1.00 . A A . 10 LEU HD11 1 1
8 1939 1 1 11 LEU HD12 H -1.054 -4.754 7.062 1.00 . A A . 10 LEU HD12 1 1
8 1940 1 1 11 LEU HD13 H -0.349 -3.216 6.572 1.00 . A A . 10 LEU HD13 1 1
8 1941 1 1 11 LEU HD21 H -3.805 -2.221 7.193 1.00 . A A . 10 LEU HD21 1 1
8 1942 1 1 11 LEU HD22 H -2.163 -1.605 7.191 1.00 . A A . 10 LEU HD22 1 1
8 1943 1 1 11 LEU HD23 H -2.580 -2.995 8.190 1.00 . A A . 10 LEU HD23 1 1
8 1944 1 1 11 LEU HG H -3.128 -4.261 6.129 1.00 . A A . 10 LEU HG 1 1
8 1945 1 1 11 LEU N N -3.860 -2.259 2.681 1.00 . A A . 10 LEU N 1 1
8 1946 1 1 11 LEU O O -5.852 -2.327 5.536 1.00 . A A . 10 LEU O 1 1
8 1947 1 1 12 . C C -6.988 0.399 5.462 1.00 . A A . 11 MK8 C 1 1
8 1948 1 1 12 . CA C -5.471 0.578 5.799 1.00 . A A . 11 MK8 CA 1 1
8 1949 1 1 12 . CB C -5.130 2.067 5.460 1.00 . A A . 11 MK8 CB 1 1
8 1950 1 1 12 . CB1 C -5.190 0.356 7.300 1.00 . A A . 11 MK8 CB1 1 1
8 1951 1 1 12 . CD C -2.747 2.490 6.342 1.00 . A A . 11 MK8 CD 1 1
8 1952 1 1 12 . CE C -1.701 3.661 6.414 1.00 . A A . 11 MK8 CE 1 1
8 1953 1 1 12 . CG C -3.678 2.429 5.120 1.00 . A A . 11 MK8 CG 1 1
8 1954 1 1 12 . HB H -5.418 2.682 6.305 1.00 . A A . 11 MK8 HB 1 1
8 1955 1 1 12 . HB1 H -5.971 0.817 7.890 1.00 . A A . 11 MK8 HB1 1 1
8 1956 1 1 12 . HB1A H -4.240 0.801 7.554 1.00 . A A . 11 MK8 HB1A 1 1
8 1957 1 1 12 . HB1B H -5.156 -0.703 7.512 1.00 . A A . 11 MK8 HB1B 1 1
8 1958 1 1 12 . HBA H -5.737 2.364 4.622 1.00 . A A . 11 MK8 HBA 1 1
8 1959 1 1 12 . HD H -2.203 1.550 6.387 1.00 . A A . 11 MK8 HD 1 1
8 1960 1 1 12 . HDA H -3.364 2.564 7.224 1.00 . A A . 11 MK8 HDA 1 1
8 1961 1 1 12 . HE H -2.029 4.569 6.909 1.00 . A A . 11 MK8 HE 1 1
8 1962 1 1 12 . HG H -3.674 3.389 4.630 1.00 . A A . 11 MK8 HG 1 1
8 1963 1 1 12 . HGA H -3.293 1.693 4.430 1.00 . A A . 11 MK8 HGA 1 1
8 1964 1 1 12 . HN H -3.867 -0.073 4.500 1.00 . A A . 11 MK8 HN 1 1
8 1965 1 1 12 . N N -4.649 -0.410 4.990 1.00 . A A . 11 MK8 N 1 1
8 1966 1 1 12 . O O -7.884 0.839 6.223 1.00 . A A . 11 MK8 O 1 1
8 1967 1 1 13 ASP C C -9.323 -1.523 4.543 1.00 . A A . 12 ASP C 1 1
8 1968 1 1 13 ASP CA C -8.573 -0.490 3.699 1.00 . A A . 12 ASP CA 1 1
8 1969 1 1 13 ASP CB C -8.459 -0.948 2.236 1.00 . A A . 12 ASP CB 1 1
8 1970 1 1 13 ASP CG C -9.816 -1.066 1.550 1.00 . A A . 12 ASP CG 1 1
8 1971 1 1 13 ASP H H -6.453 -0.508 3.734 1.00 . A A . 12 ASP H 1 1
8 1972 1 1 13 ASP HA H -9.135 0.439 3.733 1.00 . A A . 12 ASP HA 1 1
8 1973 1 1 13 ASP HB2 H -7.869 -0.222 1.687 1.00 . A A . 12 ASP HB2 1 1
8 1974 1 1 13 ASP HB3 H -7.967 -1.907 2.201 1.00 . A A . 12 ASP HB3 1 1
8 1975 1 1 13 ASP N N -7.228 -0.228 4.262 1.00 . A A . 12 ASP N 1 1
8 1976 1 1 13 ASP O O -10.481 -1.262 4.938 1.00 . A A . 12 ASP O 1 1
8 1977 1 1 13 ASP OD1 O -10.650 -1.860 2.024 1.00 . A A . 12 ASP OD1 1 1
8 1978 1 1 13 ASP OD2 O -10.043 -0.353 0.549 1.00 . A A . 12 ASP OD2 1 1
8 1979 1 1 14 SER C C -9.207 -3.467 7.086 1.00 . A A . 13 SER C 1 1
8 1980 1 1 14 SER CA C -9.173 -3.809 5.593 1.00 . A A . 13 SER CA 1 1
8 1981 1 1 14 SER CB C -8.323 -5.064 5.364 1.00 . A A . 13 SER CB 1 1
8 1982 1 1 14 SER H H -7.730 -2.785 4.433 1.00 . A A . 13 SER H 1 1
8 1983 1 1 14 SER HA H -10.185 -3.994 5.253 1.00 . A A . 13 SER HA 1 1
8 1984 1 1 14 SER HB2 H -7.320 -4.879 5.714 1.00 . A A . 13 SER HB2 1 1
8 1985 1 1 14 SER HB3 H -8.749 -5.892 5.911 1.00 . A A . 13 SER HB3 1 1
8 1986 1 1 14 SER HG H -8.422 -4.614 3.450 1.00 . A A . 13 SER HG 1 1
8 1987 1 1 14 SER N N -8.633 -2.692 4.803 1.00 . A A . 13 SER N 1 1
8 1988 1 1 14 SER O O -10.221 -3.644 7.754 1.00 . A A . 13 SER O 1 1
8 1989 1 1 14 SER OG O -8.271 -5.403 3.983 1.00 . A A . 13 SER OG 1 1
8 1990 1 1 15 NH2 HN1 H -7.350 -2.790 6.988 1.00 . A A . 14 NH2 HN1 1 1
8 1991 1 1 15 NH2 HN2 H -8.096 -2.702 8.547 1.00 . A A . 14 NH2 HN2 1 1
8 1992 1 1 15 NH2 N N -8.108 -2.932 7.592 1.00 . A A . 14 NH2 N 1 1
9 1993 1 1 1 ACE C C 8.139 2.774 -5.234 1.00 . A A . 0 ACE C 1 1
9 1994 1 1 1 ACE CH3 C 9.648 2.699 -5.460 1.00 . A A . 0 ACE CH3 1 1
9 1995 1 1 1 ACE H1 H 9.879 1.875 -6.116 1.00 . A A . 0 ACE H1 1 1
9 1996 1 1 1 ACE H2 H 10.159 2.560 -4.518 1.00 . A A . 0 ACE H2 1 1
9 1997 1 1 1 ACE H3 H 9.983 3.620 -5.916 1.00 . A A . 0 ACE H3 1 1
9 1998 1 1 1 ACE O O 7.696 3.004 -4.099 1.00 . A A . 0 ACE O 1 1
9 1999 1 1 2 GLU C C 5.211 1.463 -5.730 1.00 . A A . 1 GLU C 1 1
9 2000 1 1 2 GLU CA C 5.886 2.680 -6.398 1.00 . A A . 1 GLU CA 1 1
9 2001 1 1 2 GLU CB C 5.424 2.784 -7.870 1.00 . A A . 1 GLU CB 1 1
9 2002 1 1 2 GLU CD C 3.937 4.844 -7.767 1.00 . A A . 1 GLU CD 1 1
9 2003 1 1 2 GLU CG C 4.019 3.351 -8.056 1.00 . A A . 1 GLU CG 1 1
9 2004 1 1 2 GLU H H 7.838 2.467 -7.218 1.00 . A A . 1 GLU H 1 1
9 2005 1 1 2 GLU HA H 5.589 3.577 -5.874 1.00 . A A . 1 GLU HA 1 1
9 2006 1 1 2 GLU HB2 H 6.111 3.414 -8.410 1.00 . A A . 1 GLU HB2 1 1
9 2007 1 1 2 GLU HB3 H 5.444 1.796 -8.308 1.00 . A A . 1 GLU HB3 1 1
9 2008 1 1 2 GLU HG2 H 3.713 3.186 -9.080 1.00 . A A . 1 GLU HG2 1 1
9 2009 1 1 2 GLU HG3 H 3.346 2.833 -7.389 1.00 . A A . 1 GLU HG3 1 1
9 2010 1 1 2 GLU N N 7.368 2.610 -6.364 1.00 . A A . 1 GLU N 1 1
9 2011 1 1 2 GLU O O 3.966 1.439 -5.656 1.00 . A A . 1 GLU O 1 1
9 2012 1 1 2 GLU OE1 O 4.287 5.242 -6.634 1.00 . A A . 1 GLU OE1 1 1
9 2013 1 1 2 GLU OE2 O 3.527 5.605 -8.675 1.00 . A A . 1 GLU OE2 1 1
9 2014 1 1 3 LYS C C 5.100 -0.602 -3.201 1.00 . A A . 2 LYS C 1 1
9 2015 1 1 3 LYS CA C 5.583 -0.804 -4.658 1.00 . A A . 2 LYS CA 1 1
9 2016 1 1 3 LYS CB C 6.714 -1.850 -4.699 1.00 . A A . 2 LYS CB 1 1
9 2017 1 1 3 LYS CD C 7.428 -4.249 -4.555 1.00 . A A . 2 LYS CD 1 1
9 2018 1 1 3 LYS CE C 6.975 -5.683 -4.370 1.00 . A A . 2 LYS CE 1 1
9 2019 1 1 3 LYS CG C 6.251 -3.290 -4.525 1.00 . A A . 2 LYS CG 1 1
9 2020 1 1 3 LYS H H 7.005 0.565 -5.423 1.00 . A A . 2 LYS H 1 1
9 2021 1 1 3 LYS HA H 4.762 -1.174 -5.246 1.00 . A A . 2 LYS HA 1 1
9 2022 1 1 3 LYS HB2 H 7.222 -1.783 -5.653 1.00 . A A . 2 LYS HB2 1 1
9 2023 1 1 3 LYS HB3 H 7.417 -1.631 -3.912 1.00 . A A . 2 LYS HB3 1 1
9 2024 1 1 3 LYS HD2 H 7.933 -4.160 -5.502 1.00 . A A . 2 LYS HD2 1 1
9 2025 1 1 3 LYS HD3 H 8.114 -3.998 -3.756 1.00 . A A . 2 LYS HD3 1 1
9 2026 1 1 3 LYS HE2 H 6.478 -5.768 -3.417 1.00 . A A . 2 LYS HE2 1 1
9 2027 1 1 3 LYS HE3 H 6.284 -5.940 -5.158 1.00 . A A . 2 LYS HE3 1 1
9 2028 1 1 3 LYS HG2 H 5.739 -3.388 -3.573 1.00 . A A . 2 LYS HG2 1 1
9 2029 1 1 3 LYS HG3 H 5.570 -3.540 -5.326 1.00 . A A . 2 LYS HG3 1 1
9 2030 1 1 3 LYS HZ1 H 7.794 -7.567 -4.704 1.00 . A A . 2 LYS HZ1 1 1
9 2031 1 1 3 LYS HZ2 H 8.536 -6.713 -3.451 1.00 . A A . 2 LYS HZ2 1 1
9 2032 1 1 3 LYS HZ3 H 8.841 -6.288 -5.055 1.00 . A A . 2 LYS HZ3 1 1
9 2033 1 1 3 LYS N N 6.049 0.453 -5.288 1.00 . A A . 2 LYS N 1 1
9 2034 1 1 3 LYS NZ N 8.119 -6.629 -4.397 1.00 . A A . 2 LYS NZ 1 1
9 2035 1 1 3 LYS O O 4.127 -1.255 -2.778 1.00 . A A . 2 LYS O 1 1
9 2036 1 1 4 HIS C C 4.198 1.386 -0.828 1.00 . A A . 3 HIS C 1 1
9 2037 1 1 4 HIS CA C 5.512 0.620 -1.004 1.00 . A A . 3 HIS CA 1 1
9 2038 1 1 4 HIS CB C 6.697 1.401 -0.390 1.00 . A A . 3 HIS CB 1 1
9 2039 1 1 4 HIS CD2 C 7.684 0.853 1.963 1.00 . A A . 3 HIS CD2 1 1
9 2040 1 1 4 HIS CE1 C 6.147 1.815 3.187 1.00 . A A . 3 HIS CE1 1 1
9 2041 1 1 4 HIS CG C 6.762 1.379 1.117 1.00 . A A . 3 HIS CG 1 1
9 2042 1 1 4 HIS H H 6.534 0.803 -2.865 1.00 . A A . 3 HIS H 1 1
9 2043 1 1 4 HIS HA H 5.418 -0.333 -0.502 1.00 . A A . 3 HIS HA 1 1
9 2044 1 1 4 HIS HB2 H 7.632 0.986 -0.763 1.00 . A A . 3 HIS HB2 1 1
9 2045 1 1 4 HIS HB3 H 6.630 2.439 -0.701 1.00 . A A . 3 HIS HB3 1 1
9 2046 1 1 4 HIS HD1 H 5.007 2.438 1.615 1.00 . A A . 3 HIS HD1 1 1
9 2047 1 1 4 HIS HD2 H 8.569 0.292 1.688 1.00 . A A . 3 HIS HD2 1 1
9 2048 1 1 4 HIS HE1 H 5.595 2.177 4.032 1.00 . A A . 3 HIS HE1 1 1
9 2049 1 1 4 HIS HE2 H 7.706 0.842 4.068 1.00 . A A . 3 HIS HE2 1 1
9 2050 1 1 4 HIS N N 5.796 0.331 -2.441 1.00 . A A . 3 HIS N 1 1
9 2051 1 1 4 HIS ND1 N 5.809 1.973 1.922 1.00 . A A . 3 HIS ND1 1 1
9 2052 1 1 4 HIS NE2 N 7.274 1.144 3.242 1.00 . A A . 3 HIS NE2 1 1
9 2053 1 1 4 HIS O O 3.523 1.186 0.208 1.00 . A A . 3 HIS O 1 1
9 2054 1 1 5 LYS C C 1.324 2.069 -1.943 1.00 . A A . 4 LYS C 1 1
9 2055 1 1 5 LYS CA C 2.561 2.976 -1.904 1.00 . A A . 4 LYS CA 1 1
9 2056 1 1 5 LYS CB C 2.547 3.950 -3.082 1.00 . A A . 4 LYS CB 1 1
9 2057 1 1 5 LYS CD C 3.298 6.175 -3.954 1.00 . A A . 4 LYS CD 1 1
9 2058 1 1 5 LYS CE C 4.209 7.376 -3.737 1.00 . A A . 4 LYS CE 1 1
9 2059 1 1 5 LYS CG C 3.527 5.097 -2.915 1.00 . A A . 4 LYS CG 1 1
9 2060 1 1 5 LYS H H 4.387 2.243 -2.666 1.00 . A A . 4 LYS H 1 1
9 2061 1 1 5 LYS HA H 2.530 3.551 -0.990 1.00 . A A . 4 LYS HA 1 1
9 2062 1 1 5 LYS HB2 H 2.798 3.422 -3.992 1.00 . A A . 4 LYS HB2 1 1
9 2063 1 1 5 LYS HB3 H 1.557 4.366 -3.185 1.00 . A A . 4 LYS HB3 1 1
9 2064 1 1 5 LYS HD2 H 3.495 5.766 -4.929 1.00 . A A . 4 LYS HD2 1 1
9 2065 1 1 5 LYS HD3 H 2.273 6.500 -3.903 1.00 . A A . 4 LYS HD3 1 1
9 2066 1 1 5 LYS HE2 H 3.997 7.807 -2.770 1.00 . A A . 4 LYS HE2 1 1
9 2067 1 1 5 LYS HE3 H 5.238 7.042 -3.765 1.00 . A A . 4 LYS HE3 1 1
9 2068 1 1 5 LYS HG2 H 3.406 5.523 -1.936 1.00 . A A . 4 LYS HG2 1 1
9 2069 1 1 5 LYS HG3 H 4.528 4.713 -3.024 1.00 . A A . 4 LYS HG3 1 1
9 2070 1 1 5 LYS HZ1 H 4.353 8.082 -5.702 1.00 . A A . 4 LYS HZ1 1 1
9 2071 1 1 5 LYS HZ2 H 4.526 9.286 -4.530 1.00 . A A . 4 LYS HZ2 1 1
9 2072 1 1 5 LYS HZ3 H 2.998 8.650 -4.865 1.00 . A A . 4 LYS HZ3 1 1
9 2073 1 1 5 LYS N N 3.814 2.201 -1.880 1.00 . A A . 4 LYS N 1 1
9 2074 1 1 5 LYS NZ N 4.007 8.422 -4.782 1.00 . A A . 4 LYS NZ 1 1
9 2075 1 1 5 LYS O O 0.434 2.221 -1.078 1.00 . A A . 4 LYS O 1 1
9 2076 1 1 6 ILE C C -0.039 -0.810 -2.016 1.00 . A A . 5 ILE C 1 1
9 2077 1 1 6 ILE CA C 0.137 0.183 -3.157 1.00 . A A . 5 ILE CA 1 1
9 2078 1 1 6 ILE CB C 0.105 -0.528 -4.546 1.00 . A A . 5 ILE CB 1 1
9 2079 1 1 6 ILE CD1 C 1.137 -2.584 -5.720 1.00 . A A . 5 ILE CD1 1 1
9 2080 1 1 6 ILE CG1 C 1.374 -1.358 -4.842 1.00 . A A . 5 ILE CG1 1 1
9 2081 1 1 6 ILE CG2 C -0.094 0.530 -5.629 1.00 . A A . 5 ILE CG2 1 1
9 2082 1 1 6 ILE H H 2.029 1.064 -3.576 1.00 . A A . 5 ILE H 1 1
9 2083 1 1 6 ILE HA H -0.729 0.820 -3.126 1.00 . A A . 5 ILE HA 1 1
9 2084 1 1 6 ILE HB H -0.762 -1.182 -4.567 1.00 . A A . 5 ILE HB 1 1
9 2085 1 1 6 ILE HD11 H 1.426 -2.363 -6.740 1.00 . A A . 5 ILE HD11 1 1
9 2086 1 1 6 ILE HD12 H 0.093 -2.848 -5.692 1.00 . A A . 5 ILE HD12 1 1
9 2087 1 1 6 ILE HD13 H 1.719 -3.407 -5.347 1.00 . A A . 5 ILE HD13 1 1
9 2088 1 1 6 ILE HG12 H 2.079 -0.731 -5.364 1.00 . A A . 5 ILE HG12 1 1
9 2089 1 1 6 ILE HG13 H 1.802 -1.691 -3.919 1.00 . A A . 5 ILE HG13 1 1
9 2090 1 1 6 ILE HG21 H -0.907 0.225 -6.276 1.00 . A A . 5 ILE HG21 1 1
9 2091 1 1 6 ILE HG22 H 0.812 0.624 -6.206 1.00 . A A . 5 ILE HG22 1 1
9 2092 1 1 6 ILE HG23 H -0.335 1.472 -5.167 1.00 . A A . 5 ILE HG23 1 1
9 2093 1 1 6 ILE N N 1.285 1.107 -2.958 1.00 . A A . 5 ILE N 1 1
9 2094 1 1 6 ILE O O -1.208 -1.122 -1.713 1.00 . A A . 5 ILE O 1 1
9 2095 1 1 7 LEU C C 0.312 -1.512 1.002 1.00 . A A . 6 LEU C 1 1
9 2096 1 1 7 LEU CA C 1.044 -2.180 -0.177 1.00 . A A . 6 LEU CA 1 1
9 2097 1 1 7 LEU CB C 2.465 -2.634 0.244 1.00 . A A . 6 LEU CB 1 1
9 2098 1 1 7 LEU CD1 C 2.472 -5.152 0.426 1.00 . A A . 6 LEU CD1 1 1
9 2099 1 1 7 LEU CD2 C 3.782 -3.783 2.078 1.00 . A A . 6 LEU CD2 1 1
9 2100 1 1 7 LEU CG C 2.531 -3.836 1.203 1.00 . A A . 6 LEU CG 1 1
9 2101 1 1 7 LEU H H 1.984 -0.919 -1.605 1.00 . A A . 6 LEU H 1 1
9 2102 1 1 7 LEU HA H 0.475 -3.037 -0.493 1.00 . A A . 6 LEU HA 1 1
9 2103 1 1 7 LEU HB2 H 3.004 -2.904 -0.646 1.00 . A A . 6 LEU HB2 1 1
9 2104 1 1 7 LEU HB3 H 2.970 -1.804 0.710 1.00 . A A . 6 LEU HB3 1 1
9 2105 1 1 7 LEU HD11 H 2.991 -5.038 -0.514 1.00 . A A . 6 LEU HD11 1 1
9 2106 1 1 7 LEU HD12 H 1.440 -5.412 0.235 1.00 . A A . 6 LEU HD12 1 1
9 2107 1 1 7 LEU HD13 H 2.944 -5.937 1.003 1.00 . A A . 6 LEU HD13 1 1
9 2108 1 1 7 LEU HD21 H 4.509 -3.119 1.638 1.00 . A A . 6 LEU HD21 1 1
9 2109 1 1 7 LEU HD22 H 4.204 -4.770 2.158 1.00 . A A . 6 LEU HD22 1 1
9 2110 1 1 7 LEU HD23 H 3.516 -3.423 3.065 1.00 . A A . 6 LEU HD23 1 1
9 2111 1 1 7 LEU HG H 1.670 -3.805 1.855 1.00 . A A . 6 LEU HG 1 1
9 2112 1 1 7 LEU N N 1.104 -1.250 -1.331 1.00 . A A . 6 LEU N 1 1
9 2113 1 1 7 LEU O O -0.734 -2.011 1.433 1.00 . A A . 6 LEU O 1 1
9 2114 1 1 8 . C C -1.160 0.691 2.555 1.00 . A A . 7 MK8 C 1 1
9 2115 1 1 8 . CA C 0.405 0.389 2.716 1.00 . A A . 7 MK8 CA 1 1
9 2116 1 1 8 . CB C 1.274 1.716 2.827 1.00 . A A . 7 MK8 CB 1 1
9 2117 1 1 8 . CB1 C 0.742 -0.447 3.979 1.00 . A A . 7 MK8 CB1 1 1
9 2118 1 1 8 . CD C 0.616 2.670 5.171 1.00 . A A . 7 MK8 CD 1 1
9 2119 1 1 8 . CE C -0.123 3.699 6.071 1.00 . A A . 7 MK8 CE 1 1
9 2120 1 1 8 . CG C 0.782 2.944 3.671 1.00 . A A . 7 MK8 CG 1 1
9 2121 1 1 8 . HB H 1.440 2.068 1.813 1.00 . A A . 7 MK8 HB 1 1
9 2122 1 1 8 . HB1 H 1.812 -0.522 4.078 1.00 . A A . 7 MK8 HB1 1 1
9 2123 1 1 8 . HB1A H 0.317 -1.438 3.886 1.00 . A A . 7 MK8 HB1A 1 1
9 2124 1 1 8 . HB1B H 0.334 0.040 4.843 1.00 . A A . 7 MK8 HB1B 1 1
9 2125 1 1 8 . HBA H 2.235 1.445 3.240 1.00 . A A . 7 MK8 HBA 1 1
9 2126 1 1 8 . HD H 1.620 2.524 5.580 1.00 . A A . 7 MK8 HD 1 1
9 2127 1 1 8 . HDA H 0.080 1.745 5.260 1.00 . A A . 7 MK8 HDA 1 1
9 2128 1 1 8 . HE H 0.497 4.345 6.659 1.00 . A A . 7 MK8 HE 1 1
9 2129 1 1 8 . HG H -0.158 3.264 3.281 1.00 . A A . 7 MK8 HG 1 1
9 2130 1 1 8 . HGA H 1.493 3.732 3.538 1.00 . A A . 7 MK8 HGA 1 1
9 2131 1 1 8 . HN H 1.768 -0.106 1.148 1.00 . A A . 7 MK8 HN 1 1
9 2132 1 1 8 . N N 0.918 -0.387 1.541 1.00 . A A . 7 MK8 N 1 1
9 2133 1 1 8 . O O -1.895 0.777 3.578 1.00 . A A . 7 MK8 O 1 1
9 2134 1 1 9 ARG C C -4.029 0.204 0.946 1.00 . A A . 8 ARG C 1 1
9 2135 1 1 9 ARG CA C -3.031 1.373 0.946 1.00 . A A . 8 ARG CA 1 1
9 2136 1 1 9 ARG CB C -3.062 2.074 -0.404 1.00 . A A . 8 ARG CB 1 1
9 2137 1 1 9 ARG CD C -2.590 4.185 -1.671 1.00 . A A . 8 ARG CD 1 1
9 2138 1 1 9 ARG CG C -2.341 3.412 -0.393 1.00 . A A . 8 ARG CG 1 1
9 2139 1 1 9 ARG CZ C -1.964 6.446 -2.709 1.00 . A A . 8 ARG CZ 1 1
9 2140 1 1 9 ARG H H -0.972 0.983 0.524 1.00 . A A . 8 ARG H 1 1
9 2141 1 1 9 ARG HA H -3.341 2.085 1.701 1.00 . A A . 8 ARG HA 1 1
9 2142 1 1 9 ARG HB2 H -2.584 1.436 -1.131 1.00 . A A . 8 ARG HB2 1 1
9 2143 1 1 9 ARG HB3 H -4.087 2.232 -0.695 1.00 . A A . 8 ARG HB3 1 1
9 2144 1 1 9 ARG HD2 H -2.234 3.602 -2.501 1.00 . A A . 8 ARG HD2 1 1
9 2145 1 1 9 ARG HD3 H -3.658 4.344 -1.777 1.00 . A A . 8 ARG HD3 1 1
9 2146 1 1 9 ARG HE H -1.370 5.723 -0.895 1.00 . A A . 8 ARG HE 1 1
9 2147 1 1 9 ARG HG2 H -2.702 3.996 0.435 1.00 . A A . 8 ARG HG2 1 1
9 2148 1 1 9 ARG HG3 H -1.281 3.241 -0.282 1.00 . A A . 8 ARG HG3 1 1
9 2149 1 1 9 ARG HH11 H -3.179 5.390 -3.946 1.00 . A A . 8 ARG HH11 1 1
9 2150 1 1 9 ARG HH12 H -2.708 6.944 -4.546 1.00 . A A . 8 ARG HH12 1 1
9 2151 1 1 9 ARG HH21 H -0.754 7.753 -1.757 1.00 . A A . 8 ARG HH21 1 1
9 2152 1 1 9 ARG HH22 H -1.323 8.273 -3.303 1.00 . A A . 8 ARG HH22 1 1
9 2153 1 1 9 ARG N N -1.622 0.966 1.261 1.00 . A A . 8 ARG N 1 1
9 2154 1 1 9 ARG NE N -1.909 5.503 -1.684 1.00 . A A . 8 ARG NE 1 1
9 2155 1 1 9 ARG NH1 N -2.674 6.242 -3.831 1.00 . A A . 8 ARG NH1 1 1
9 2156 1 1 9 ARG NH2 N -1.291 7.583 -2.577 1.00 . A A . 8 ARG NH2 1 1
9 2157 1 1 9 ARG O O -5.184 0.416 1.372 1.00 . A A . 8 ARG O 1 1
9 2158 1 1 10 LEU C C -4.670 -2.810 1.774 1.00 . A A . 9 LEU C 1 1
9 2159 1 1 10 LEU CA C -4.401 -2.226 0.373 1.00 . A A . 9 LEU CA 1 1
9 2160 1 1 10 LEU CB C -3.702 -3.271 -0.516 1.00 . A A . 9 LEU CB 1 1
9 2161 1 1 10 LEU CD1 C -5.396 -4.121 -2.218 1.00 . A A . 9 LEU CD1 1 1
9 2162 1 1 10 LEU CD2 C -3.684 -5.681 -1.258 1.00 . A A . 9 LEU CD2 1 1
9 2163 1 1 10 LEU CG C -4.562 -4.464 -0.980 1.00 . A A . 9 LEU CG 1 1
9 2164 1 1 10 LEU H H -2.663 -1.051 0.122 1.00 . A A . 9 LEU H 1 1
9 2165 1 1 10 LEU HA H -5.340 -1.953 -0.079 1.00 . A A . 9 LEU HA 1 1
9 2166 1 1 10 LEU HB2 H -3.318 -2.768 -1.388 1.00 . A A . 9 LEU HB2 1 1
9 2167 1 1 10 LEU HB3 H -2.867 -3.658 0.044 1.00 . A A . 9 LEU HB3 1 1
9 2168 1 1 10 LEU HD11 H -5.254 -4.884 -2.963 1.00 . A A . 9 LEU HD11 1 1
9 2169 1 1 10 LEU HD12 H -5.080 -3.167 -2.619 1.00 . A A . 9 LEU HD12 1 1
9 2170 1 1 10 LEU HD13 H -6.440 -4.068 -1.947 1.00 . A A . 9 LEU HD13 1 1
9 2171 1 1 10 LEU HD21 H -2.664 -5.360 -1.412 1.00 . A A . 9 LEU HD21 1 1
9 2172 1 1 10 LEU HD22 H -4.040 -6.191 -2.140 1.00 . A A . 9 LEU HD22 1 1
9 2173 1 1 10 LEU HD23 H -3.722 -6.356 -0.420 1.00 . A A . 9 LEU HD23 1 1
9 2174 1 1 10 LEU HG H -5.246 -4.724 -0.180 1.00 . A A . 9 LEU HG 1 1
9 2175 1 1 10 LEU N N -3.575 -1.007 0.461 1.00 . A A . 9 LEU N 1 1
9 2176 1 1 10 LEU O O -5.712 -3.469 1.974 1.00 . A A . 9 LEU O 1 1
9 2177 1 1 11 LEU C C -4.693 -2.235 4.983 1.00 . A A . 10 LEU C 1 1
9 2178 1 1 11 LEU CA C -3.735 -3.058 4.114 1.00 . A A . 10 LEU CA 1 1
9 2179 1 1 11 LEU CB C -2.296 -3.038 4.737 1.00 . A A . 10 LEU CB 1 1
9 2180 1 1 11 LEU CD1 C -2.649 -4.234 7.049 1.00 . A A . 10 LEU CD1 1 1
9 2181 1 1 11 LEU CD2 C -1.734 -5.543 5.104 1.00 . A A . 10 LEU CD2 1 1
9 2182 1 1 11 LEU CG C -1.822 -4.155 5.750 1.00 . A A . 10 LEU CG 1 1
9 2183 1 1 11 LEU H H -2.894 -2.072 2.433 1.00 . A A . 10 LEU H 1 1
9 2184 1 1 11 LEU HA H -4.080 -4.081 4.079 1.00 . A A . 10 LEU HA 1 1
9 2185 1 1 11 LEU HB2 H -1.600 -3.053 3.922 1.00 . A A . 10 LEU HB2 1 1
9 2186 1 1 11 LEU HB3 H -2.181 -2.084 5.240 1.00 . A A . 10 LEU HB3 1 1
9 2187 1 1 11 LEU HD11 H -3.151 -3.294 7.215 1.00 . A A . 10 LEU HD11 1 1
9 2188 1 1 11 LEU HD12 H -1.999 -4.451 7.885 1.00 . A A . 10 LEU HD12 1 1
9 2189 1 1 11 LEU HD13 H -3.376 -5.024 6.956 1.00 . A A . 10 LEU HD13 1 1
9 2190 1 1 11 LEU HD21 H -1.960 -6.299 5.843 1.00 . A A . 10 LEU HD21 1 1
9 2191 1 1 11 LEU HD22 H -0.731 -5.704 4.722 1.00 . A A . 10 LEU HD22 1 1
9 2192 1 1 11 LEU HD23 H -2.444 -5.610 4.293 1.00 . A A . 10 LEU HD23 1 1
9 2193 1 1 11 LEU HG H -0.813 -3.896 6.054 1.00 . A A . 10 LEU HG 1 1
9 2194 1 1 11 LEU N N -3.691 -2.568 2.715 1.00 . A A . 10 LEU N 1 1
9 2195 1 1 11 LEU O O -5.682 -2.780 5.485 1.00 . A A . 10 LEU O 1 1
9 2196 1 1 12 . C C -6.651 0.164 5.404 1.00 . A A . 11 MK8 C 1 1
9 2197 1 1 12 . CA C -5.198 0.092 5.979 1.00 . A A . 11 MK8 CA 1 1
9 2198 1 1 12 . CB C -4.617 1.548 5.861 1.00 . A A . 11 MK8 CB 1 1
9 2199 1 1 12 . CB1 C -5.269 -0.325 7.481 1.00 . A A . 11 MK8 CB1 1 1
9 2200 1 1 12 . CD C -2.657 3.122 5.524 1.00 . A A . 11 MK8 CD 1 1
9 2201 1 1 12 . CE C -1.487 3.884 6.219 1.00 . A A . 11 MK8 CE 1 1
9 2202 1 1 12 . CG C -3.098 1.782 6.086 1.00 . A A . 11 MK8 CG 1 1
9 2203 1 1 12 . HB H -5.145 2.164 6.583 1.00 . A A . 11 MK8 HB 1 1
9 2204 1 1 12 . HB1 H -5.992 -1.118 7.590 1.00 . A A . 11 MK8 HB1 1 1
9 2205 1 1 12 . HB1A H -5.570 0.522 8.080 1.00 . A A . 11 MK8 HB1A 1 1
9 2206 1 1 12 . HB1B H -4.298 -0.672 7.811 1.00 . A A . 11 MK8 HB1B 1 1
9 2207 1 1 12 . HBA H -4.854 1.917 4.878 1.00 . A A . 11 MK8 HBA 1 1
9 2208 1 1 12 . HD H -3.530 3.778 5.530 1.00 . A A . 11 MK8 HD 1 1
9 2209 1 1 12 . HDA H -2.373 2.963 4.500 1.00 . A A . 11 MK8 HDA 1 1
9 2210 1 1 12 . HE H -1.779 4.664 6.904 1.00 . A A . 11 MK8 HE 1 1
9 2211 1 1 12 . HG H -2.524 1.010 5.614 1.00 . A A . 11 MK8 HG 1 1
9 2212 1 1 12 . HGA H -2.916 1.769 7.145 1.00 . A A . 11 MK8 HGA 1 1
9 2213 1 1 12 . HN H -3.586 -0.553 4.713 1.00 . A A . 11 MK8 HN 1 1
9 2214 1 1 12 . N N -4.382 -0.887 5.159 1.00 . A A . 11 MK8 N 1 1
9 2215 1 1 12 . O O -7.511 0.867 5.985 1.00 . A A . 11 MK8 O 1 1
9 2216 1 1 13 ASP C C -9.247 -1.301 4.366 1.00 . A A . 12 ASP C 1 1
9 2217 1 1 13 ASP CA C -8.191 -0.593 3.531 1.00 . A A . 12 ASP CA 1 1
9 2218 1 1 13 ASP CB C -8.041 -1.294 2.173 1.00 . A A . 12 ASP CB 1 1
9 2219 1 1 13 ASP CG C -9.283 -1.196 1.306 1.00 . A A . 12 ASP CG 1 1
9 2220 1 1 13 ASP H H -6.134 -1.049 3.856 1.00 . A A . 12 ASP H 1 1
9 2221 1 1 13 ASP HA H -8.506 0.425 3.367 1.00 . A A . 12 ASP HA 1 1
9 2222 1 1 13 ASP HB2 H -7.229 -0.845 1.631 1.00 . A A . 12 ASP HB2 1 1
9 2223 1 1 13 ASP HB3 H -7.825 -2.337 2.335 1.00 . A A . 12 ASP HB3 1 1
9 2224 1 1 13 ASP N N -6.884 -0.551 4.244 1.00 . A A . 12 ASP N 1 1
9 2225 1 1 13 ASP O O -10.351 -0.753 4.554 1.00 . A A . 12 ASP O 1 1
9 2226 1 1 13 ASP OD1 O -10.357 -1.645 1.755 1.00 . A A . 12 ASP OD1 1 1
9 2227 1 1 13 ASP OD2 O -9.178 -0.673 0.186 1.00 . A A . 12 ASP OD2 1 1
9 2228 1 1 14 SER C C -9.871 -2.826 7.123 1.00 . A A . 13 SER C 1 1
9 2229 1 1 14 SER CA C -9.742 -3.385 5.705 1.00 . A A . 13 SER CA 1 1
9 2230 1 1 14 SER CB C -9.188 -4.813 5.756 1.00 . A A . 13 SER CB 1 1
9 2231 1 1 14 SER H H -7.986 -2.855 4.652 1.00 . A A . 13 SER H 1 1
9 2232 1 1 14 SER HA H -10.721 -3.400 5.263 1.00 . A A . 13 SER HA 1 1
9 2233 1 1 14 SER HB2 H -8.165 -4.792 6.095 1.00 . A A . 13 SER HB2 1 1
9 2234 1 1 14 SER HB3 H -9.784 -5.407 6.446 1.00 . A A . 13 SER HB3 1 1
9 2235 1 1 14 SER HG H -8.335 -5.429 4.115 1.00 . A A . 13 SER HG 1 1
9 2236 1 1 14 SER N N -8.880 -2.528 4.867 1.00 . A A . 13 SER N 1 1
9 2237 1 1 14 SER O O -10.975 -2.684 7.641 1.00 . A A . 13 SER O 1 1
9 2238 1 1 14 SER OG O -9.221 -5.421 4.485 1.00 . A A . 13 SER OG 1 1
9 2239 1 1 15 NH2 HN1 H -7.912 -2.539 7.221 1.00 . A A . 14 NH2 HN1 1 1
9 2240 1 1 15 NH2 HN2 H -8.800 -2.081 8.626 1.00 . A A . 14 NH2 HN2 1 1
9 2241 1 1 15 NH2 N N -8.746 -2.445 7.718 1.00 . A A . 14 NH2 N 1 1
10 2242 1 1 1 ACE C C 7.887 2.889 -5.256 1.00 . A A . 0 ACE C 1 1
10 2243 1 1 1 ACE CH3 C 9.383 2.925 -5.539 1.00 . A A . 0 ACE CH3 1 1
10 2244 1 1 1 ACE H1 H 9.629 2.216 -6.316 1.00 . A A . 0 ACE H1 1 1
10 2245 1 1 1 ACE H2 H 9.920 2.668 -4.639 1.00 . A A . 0 ACE H2 1 1
10 2246 1 1 1 ACE H3 H 9.666 3.921 -5.861 1.00 . A A . 0 ACE H3 1 1
10 2247 1 1 1 ACE O O 7.491 3.058 -4.088 1.00 . A A . 0 ACE O 1 1
10 2248 1 1 2 GLU C C 5.053 1.371 -5.630 1.00 . A A . 1 GLU C 1 1
10 2249 1 1 2 GLU CA C 5.598 2.651 -6.301 1.00 . A A . 1 GLU CA 1 1
10 2250 1 1 2 GLU CB C 5.051 2.769 -7.727 1.00 . A A . 1 GLU CB 1 1
10 2251 1 1 2 GLU CD C 3.145 3.390 -9.251 1.00 . A A . 1 GLU CD 1 1
10 2252 1 1 2 GLU CG C 3.611 3.248 -7.819 1.00 . A A . 1 GLU CG 1 1
10 2253 1 1 2 GLU H H 7.504 2.596 -7.228 1.00 . A A . 1 GLU H 1 1
10 2254 1 1 2 GLU HA H 5.269 3.498 -5.734 1.00 . A A . 1 GLU HA 1 1
10 2255 1 1 2 GLU HB2 H 5.663 3.476 -8.263 1.00 . A A . 1 GLU HB2 1 1
10 2256 1 1 2 GLU HB3 H 5.120 1.800 -8.209 1.00 . A A . 1 GLU HB3 1 1
10 2257 1 1 2 GLU HG2 H 2.976 2.535 -7.314 1.00 . A A . 1 GLU HG2 1 1
10 2258 1 1 2 GLU HG3 H 3.526 4.208 -7.334 1.00 . A A . 1 GLU HG3 1 1
10 2259 1 1 2 GLU N N 7.075 2.692 -6.352 1.00 . A A . 1 GLU N 1 1
10 2260 1 1 2 GLU O O 3.816 1.207 -5.527 1.00 . A A . 1 GLU O 1 1
10 2261 1 1 2 GLU OE1 O 3.079 2.364 -9.959 1.00 . A A . 1 GLU OE1 1 1
10 2262 1 1 2 GLU OE2 O 2.868 4.535 -9.672 1.00 . A A . 1 GLU OE2 1 1
10 2263 1 1 3 LYS C C 5.218 -0.651 -3.089 1.00 . A A . 2 LYS C 1 1
10 2264 1 1 3 LYS CA C 5.695 -0.825 -4.546 1.00 . A A . 2 LYS CA 1 1
10 2265 1 1 3 LYS CB C 6.924 -1.745 -4.607 1.00 . A A . 2 LYS CB 1 1
10 2266 1 1 3 LYS CD C 7.887 -4.055 -4.456 1.00 . A A . 2 LYS CD 1 1
10 2267 1 1 3 LYS CE C 7.583 -5.524 -4.233 1.00 . A A . 2 LYS CE 1 1
10 2268 1 1 3 LYS CG C 6.624 -3.225 -4.381 1.00 . A A . 2 LYS CG 1 1
10 2269 1 1 3 LYS H H 6.945 0.687 -5.328 1.00 . A A . 2 LYS H 1 1
10 2270 1 1 3 LYS HA H 4.898 -1.284 -5.115 1.00 . A A . 2 LYS HA 1 1
10 2271 1 1 3 LYS HB2 H 7.373 -1.648 -5.581 1.00 . A A . 2 LYS HB2 1 1
10 2272 1 1 3 LYS HB3 H 7.640 -1.427 -3.857 1.00 . A A . 2 LYS HB3 1 1
10 2273 1 1 3 LYS HD2 H 8.339 -3.932 -5.429 1.00 . A A . 2 LYS HD2 1 1
10 2274 1 1 3 LYS HD3 H 8.569 -3.714 -3.696 1.00 . A A . 2 LYS HD3 1 1
10 2275 1 1 3 LYS HE2 H 7.161 -5.653 -3.248 1.00 . A A . 2 LYS HE2 1 1
10 2276 1 1 3 LYS HE3 H 6.870 -5.841 -4.970 1.00 . A A . 2 LYS HE3 1 1
10 2277 1 1 3 LYS HG2 H 6.178 -3.350 -3.406 1.00 . A A . 2 LYS HG2 1 1
10 2278 1 1 3 LYS HG3 H 5.935 -3.560 -5.142 1.00 . A A . 2 LYS HG3 1 1
10 2279 1 1 3 LYS HZ1 H 9.004 -6.552 -5.352 1.00 . A A . 2 LYS HZ1 1 1
10 2280 1 1 3 LYS HZ2 H 8.651 -7.282 -3.875 1.00 . A A . 2 LYS HZ2 1 1
10 2281 1 1 3 LYS HZ3 H 9.616 -5.889 -3.920 1.00 . A A . 2 LYS HZ3 1 1
10 2282 1 1 3 LYS N N 6.005 0.468 -5.192 1.00 . A A . 2 LYS N 1 1
10 2283 1 1 3 LYS NZ N 8.800 -6.369 -4.353 1.00 . A A . 2 LYS NZ 1 1
10 2284 1 1 3 LYS O O 4.248 -1.325 -2.676 1.00 . A A . 2 LYS O 1 1
10 2285 1 1 4 HIS C C 4.316 1.305 -0.740 1.00 . A A . 3 HIS C 1 1
10 2286 1 1 4 HIS CA C 5.630 0.548 -0.888 1.00 . A A . 3 HIS CA 1 1
10 2287 1 1 4 HIS CB C 6.797 1.350 -0.259 1.00 . A A . 3 HIS CB 1 1
10 2288 1 1 4 HIS CD2 C 7.772 0.915 2.127 1.00 . A A . 3 HIS CD2 1 1
10 2289 1 1 4 HIS CE1 C 6.095 1.709 3.307 1.00 . A A . 3 HIS CE1 1 1
10 2290 1 1 4 HIS CG C 6.826 1.342 1.250 1.00 . A A . 3 HIS CG 1 1
10 2291 1 1 4 HIS H H 6.653 0.754 -2.745 1.00 . A A . 3 HIS H 1 1
10 2292 1 1 4 HIS HA H 5.537 -0.405 -0.379 1.00 . A A . 3 HIS HA 1 1
10 2293 1 1 4 HIS HB2 H 7.739 0.951 -0.612 1.00 . A A . 3 HIS HB2 1 1
10 2294 1 1 4 HIS HB3 H 6.719 2.385 -0.579 1.00 . A A . 3 HIS HB3 1 1
10 2295 1 1 4 HIS HD1 H 4.956 2.213 1.684 1.00 . A A . 3 HIS HD1 1 1
10 2296 1 1 4 HIS HD2 H 8.730 0.477 1.888 1.00 . A A . 3 HIS HD2 1 1
10 2297 1 1 4 HIS HE1 H 5.479 2.017 4.142 1.00 . A A . 3 HIS HE1 1 1
10 2298 1 1 4 HIS HE2 H 7.757 0.935 4.223 1.00 . A A . 3 HIS HE2 1 1
10 2299 1 1 4 HIS N N 5.914 0.276 -2.325 1.00 . A A . 3 HIS N 1 1
10 2300 1 1 4 HIS ND1 N 5.788 1.831 2.025 1.00 . A A . 3 HIS ND1 1 1
10 2301 1 1 4 HIS NE2 N 7.290 1.151 3.390 1.00 . A A . 3 HIS NE2 1 1
10 2302 1 1 4 HIS O O 3.609 1.079 0.261 1.00 . A A . 3 HIS O 1 1
10 2303 1 1 5 LYS C C 1.462 2.030 -1.957 1.00 . A A . 4 LYS C 1 1
10 2304 1 1 5 LYS CA C 2.708 2.930 -1.820 1.00 . A A . 4 LYS CA 1 1
10 2305 1 1 5 LYS CB C 2.748 3.951 -2.963 1.00 . A A . 4 LYS CB 1 1
10 2306 1 1 5 LYS CD C 3.651 6.161 -3.773 1.00 . A A . 4 LYS CD 1 1
10 2307 1 1 5 LYS CE C 4.713 7.227 -3.570 1.00 . A A . 4 LYS CE 1 1
10 2308 1 1 5 LYS CG C 3.809 5.029 -2.773 1.00 . A A . 4 LYS CG 1 1
10 2309 1 1 5 LYS H H 4.587 2.213 -2.543 1.00 . A A . 4 LYS H 1 1
10 2310 1 1 5 LYS HA H 2.637 3.466 -0.883 1.00 . A A . 4 LYS HA 1 1
10 2311 1 1 5 LYS HB2 H 2.948 3.435 -3.893 1.00 . A A . 4 LYS HB2 1 1
10 2312 1 1 5 LYS HB3 H 1.785 4.434 -3.027 1.00 . A A . 4 LYS HB3 1 1
10 2313 1 1 5 LYS HD2 H 3.747 5.758 -4.768 1.00 . A A . 4 LYS HD2 1 1
10 2314 1 1 5 LYS HD3 H 2.674 6.604 -3.648 1.00 . A A . 4 LYS HD3 1 1
10 2315 1 1 5 LYS HE2 H 4.580 7.663 -2.589 1.00 . A A . 4 LYS HE2 1 1
10 2316 1 1 5 LYS HE3 H 5.689 6.770 -3.632 1.00 . A A . 4 LYS HE3 1 1
10 2317 1 1 5 LYS HG2 H 3.719 5.433 -1.777 1.00 . A A . 4 LYS HG2 1 1
10 2318 1 1 5 LYS HG3 H 4.789 4.591 -2.897 1.00 . A A . 4 LYS HG3 1 1
10 2319 1 1 5 LYS HZ1 H 4.354 7.881 -5.514 1.00 . A A . 4 LYS HZ1 1 1
10 2320 1 1 5 LYS HZ2 H 5.506 8.799 -4.682 1.00 . A A . 4 LYS HZ2 1 1
10 2321 1 1 5 LYS HZ3 H 3.861 8.974 -4.319 1.00 . A A . 4 LYS HZ3 1 1
10 2322 1 1 5 LYS N N 3.976 2.147 -1.777 1.00 . A A . 4 LYS N 1 1
10 2323 1 1 5 LYS NZ N 4.603 8.293 -4.594 1.00 . A A . 4 LYS NZ 1 1
10 2324 1 1 5 LYS O O 0.464 2.234 -1.221 1.00 . A A . 4 LYS O 1 1
10 2325 1 1 6 ILE C C 0.074 -0.827 -1.985 1.00 . A A . 5 ILE C 1 1
10 2326 1 1 6 ILE CA C 0.394 0.079 -3.204 1.00 . A A . 5 ILE CA 1 1
10 2327 1 1 6 ILE CB C 0.654 -0.735 -4.554 1.00 . A A . 5 ILE CB 1 1
10 2328 1 1 6 ILE CD1 C -1.586 -0.653 -5.810 1.00 . A A . 5 ILE CD1 1 1
10 2329 1 1 6 ILE CG1 C -0.587 -1.511 -5.041 1.00 . A A . 5 ILE CG1 1 1
10 2330 1 1 6 ILE CG2 C 1.852 -1.691 -4.485 1.00 . A A . 5 ILE CG2 1 1
10 2331 1 1 6 ILE H H 2.349 0.912 -3.424 1.00 . A A . 5 ILE H 1 1
10 2332 1 1 6 ILE HA H -0.478 0.714 -3.374 1.00 . A A . 5 ILE HA 1 1
10 2333 1 1 6 ILE HB H 0.894 -0.008 -5.319 1.00 . A A . 5 ILE HB 1 1
10 2334 1 1 6 ILE HD11 H -1.308 -0.625 -6.852 1.00 . A A . 5 ILE HD11 1 1
10 2335 1 1 6 ILE HD12 H -1.576 0.352 -5.417 1.00 . A A . 5 ILE HD12 1 1
10 2336 1 1 6 ILE HD13 H -2.576 -1.071 -5.705 1.00 . A A . 5 ILE HD13 1 1
10 2337 1 1 6 ILE HG12 H -0.255 -2.308 -5.690 1.00 . A A . 5 ILE HG12 1 1
10 2338 1 1 6 ILE HG13 H -1.107 -1.945 -4.202 1.00 . A A . 5 ILE HG13 1 1
10 2339 1 1 6 ILE HG21 H 2.768 -1.122 -4.439 1.00 . A A . 5 ILE HG21 1 1
10 2340 1 1 6 ILE HG22 H 1.860 -2.318 -5.360 1.00 . A A . 5 ILE HG22 1 1
10 2341 1 1 6 ILE HG23 H 1.765 -2.312 -3.604 1.00 . A A . 5 ILE HG23 1 1
10 2342 1 1 6 ILE N N 1.528 1.007 -2.906 1.00 . A A . 5 ILE N 1 1
10 2343 1 1 6 ILE O O -1.116 -1.069 -1.723 1.00 . A A . 5 ILE O 1 1
10 2344 1 1 7 LEU C C 0.312 -1.419 1.108 1.00 . A A . 6 LEU C 1 1
10 2345 1 1 7 LEU CA C 1.030 -2.146 -0.046 1.00 . A A . 6 LEU CA 1 1
10 2346 1 1 7 LEU CB C 2.420 -2.615 0.417 1.00 . A A . 6 LEU CB 1 1
10 2347 1 1 7 LEU CD1 C 2.359 -5.143 0.667 1.00 . A A . 6 LEU CD1 1 1
10 2348 1 1 7 LEU CD2 C 3.711 -3.741 2.231 1.00 . A A . 6 LEU CD2 1 1
10 2349 1 1 7 LEU CG C 2.449 -3.806 1.393 1.00 . A A . 6 LEU CG 1 1
10 2350 1 1 7 LEU H H 2.059 -1.022 -1.539 1.00 . A A . 6 LEU H 1 1
10 2351 1 1 7 LEU HA H 0.448 -3.017 -0.317 1.00 . A A . 6 LEU HA 1 1
10 2352 1 1 7 LEU HB2 H 2.987 -2.886 -0.454 1.00 . A A . 6 LEU HB2 1 1
10 2353 1 1 7 LEU HB3 H 2.909 -1.786 0.901 1.00 . A A . 6 LEU HB3 1 1
10 2354 1 1 7 LEU HD11 H 2.053 -5.912 1.358 1.00 . A A . 6 LEU HD11 1 1
10 2355 1 1 7 LEU HD12 H 3.329 -5.389 0.256 1.00 . A A . 6 LEU HD12 1 1
10 2356 1 1 7 LEU HD13 H 1.637 -5.069 -0.128 1.00 . A A . 6 LEU HD13 1 1
10 2357 1 1 7 LEU HD21 H 4.373 -2.986 1.828 1.00 . A A . 6 LEU HD21 1 1
10 2358 1 1 7 LEU HD22 H 4.205 -4.701 2.212 1.00 . A A . 6 LEU HD22 1 1
10 2359 1 1 7 LEU HD23 H 3.454 -3.483 3.252 1.00 . A A . 6 LEU HD23 1 1
10 2360 1 1 7 LEU HG H 1.601 -3.735 2.057 1.00 . A A . 6 LEU HG 1 1
10 2361 1 1 7 LEU N N 1.157 -1.279 -1.249 1.00 . A A . 6 LEU N 1 1
10 2362 1 1 7 LEU O O -0.617 -1.973 1.695 1.00 . A A . 6 LEU O 1 1
10 2363 1 1 8 . C C -1.343 0.968 2.325 1.00 . A A . 7 MK8 C 1 1
10 2364 1 1 8 . CA C 0.233 0.736 2.516 1.00 . A A . 7 MK8 CA 1 1
10 2365 1 1 8 . CB C 1.092 2.079 2.453 1.00 . A A . 7 MK8 CB 1 1
10 2366 1 1 8 . CB1 C 0.594 0.105 3.894 1.00 . A A . 7 MK8 CB1 1 1
10 2367 1 1 8 . CD C -0.449 3.672 3.953 1.00 . A A . 7 MK8 CD 1 1
10 2368 1 1 8 . CE C 0.024 3.339 5.400 1.00 . A A . 7 MK8 CE 1 1
10 2369 1 1 8 . CG C 0.507 3.523 2.752 1.00 . A A . 7 MK8 CG 1 1
10 2370 1 1 8 . HB H 1.518 2.114 1.452 1.00 . A A . 7 MK8 HB 1 1
10 2371 1 1 8 . HB1 H 0.400 0.820 4.674 1.00 . A A . 7 MK8 HB1 1 1
10 2372 1 1 8 . HB1A H 1.640 -0.174 3.900 1.00 . A A . 7 MK8 HB1A 1 1
10 2373 1 1 8 . HB1B H -0.012 -0.774 4.035 1.00 . A A . 7 MK8 HB1B 1 1
10 2374 1 1 8 . HBA H 1.908 1.957 3.137 1.00 . A A . 7 MK8 HBA 1 1
10 2375 1 1 8 . HD H -1.305 3.053 3.739 1.00 . A A . 7 MK8 HD 1 1
10 2376 1 1 8 . HDA H -0.782 4.699 3.980 1.00 . A A . 7 MK8 HDA 1 1
10 2377 1 1 8 . HE H 1.076 3.456 5.599 1.00 . A A . 7 MK8 HE 1 1
10 2378 1 1 8 . HG H -0.012 3.845 1.877 1.00 . A A . 7 MK8 HG 1 1
10 2379 1 1 8 . HGA H 1.343 4.187 2.920 1.00 . A A . 7 MK8 HGA 1 1
10 2380 1 1 8 . HN H 1.503 0.198 0.897 1.00 . A A . 7 MK8 HN 1 1
10 2381 1 1 8 . N N 0.770 -0.150 1.427 1.00 . A A . 7 MK8 N 1 1
10 2382 1 1 8 . O O -2.102 1.100 3.328 1.00 . A A . 7 MK8 O 1 1
10 2383 1 1 9 ARG C C -4.164 0.189 0.703 1.00 . A A . 8 ARG C 1 1
10 2384 1 1 9 ARG CA C -3.220 1.400 0.640 1.00 . A A . 8 ARG CA 1 1
10 2385 1 1 9 ARG CB C -3.284 2.015 -0.764 1.00 . A A . 8 ARG CB 1 1
10 2386 1 1 9 ARG CD C -3.028 4.037 -2.235 1.00 . A A . 8 ARG CD 1 1
10 2387 1 1 9 ARG CG C -2.666 3.406 -0.893 1.00 . A A . 8 ARG CG 1 1
10 2388 1 1 9 ARG CZ C -2.464 6.144 -3.572 1.00 . A A . 8 ARG CZ 1 1
10 2389 1 1 9 ARG H H -1.122 1.078 0.284 1.00 . A A . 8 ARG H 1 1
10 2390 1 1 9 ARG HA H -3.590 2.125 1.351 1.00 . A A . 8 ARG HA 1 1
10 2391 1 1 9 ARG HB2 H -2.772 1.356 -1.448 1.00 . A A . 8 ARG HB2 1 1
10 2392 1 1 9 ARG HB3 H -4.321 2.084 -1.053 1.00 . A A . 8 ARG HB3 1 1
10 2393 1 1 9 ARG HD2 H -2.723 3.369 -3.020 1.00 . A A . 8 ARG HD2 1 1
10 2394 1 1 9 ARG HD3 H -4.100 4.161 -2.270 1.00 . A A . 8 ARG HD3 1 1
10 2395 1 1 9 ARG HE H -1.847 5.701 -1.691 1.00 . A A . 8 ARG HE 1 1
10 2396 1 1 9 ARG HG2 H -3.040 4.033 -0.102 1.00 . A A . 8 ARG HG2 1 1
10 2397 1 1 9 ARG HG3 H -1.585 3.331 -0.826 1.00 . A A . 8 ARG HG3 1 1
10 2398 1 1 9 ARG HH11 H -3.706 4.934 -4.628 1.00 . A A . 8 ARG HH11 1 1
10 2399 1 1 9 ARG HH12 H -3.213 6.381 -5.447 1.00 . A A . 8 ARG HH12 1 1
10 2400 1 1 9 ARG HH21 H -1.283 7.591 -2.802 1.00 . A A . 8 ARG HH21 1 1
10 2401 1 1 9 ARG HH22 H -1.866 7.893 -4.405 1.00 . A A . 8 ARG HH22 1 1
10 2402 1 1 9 ARG N N -1.791 1.101 1.009 1.00 . A A . 8 ARG N 1 1
10 2403 1 1 9 ARG NE N -2.381 5.359 -2.437 1.00 . A A . 8 ARG NE 1 1
10 2404 1 1 9 ARG NH1 N -3.192 5.794 -4.643 1.00 . A A . 8 ARG NH1 1 1
10 2405 1 1 9 ARG NH2 N -1.819 7.303 -3.594 1.00 . A A . 8 ARG NH2 1 1
10 2406 1 1 9 ARG O O -5.327 0.370 1.136 1.00 . A A . 8 ARG O 1 1
10 2407 1 1 10 LEU C C -4.712 -2.855 1.602 1.00 . A A . 9 LEU C 1 1
10 2408 1 1 10 LEU CA C -4.449 -2.270 0.203 1.00 . A A . 9 LEU CA 1 1
10 2409 1 1 10 LEU CB C -3.721 -3.310 -0.662 1.00 . A A . 9 LEU CB 1 1
10 2410 1 1 10 LEU CD1 C -5.289 -4.155 -2.457 1.00 . A A . 9 LEU CD1 1 1
10 2411 1 1 10 LEU CD2 C -3.722 -5.737 -1.309 1.00 . A A . 9 LEU CD2 1 1
10 2412 1 1 10 LEU CG C -4.574 -4.493 -1.153 1.00 . A A . 9 LEU CG 1 1
10 2413 1 1 10 LEU H H -2.753 -1.042 -0.086 1.00 . A A . 9 LEU H 1 1
10 2414 1 1 10 LEU HA H -5.390 -2.036 -0.261 1.00 . A A . 9 LEU HA 1 1
10 2415 1 1 10 LEU HB2 H -3.314 -2.798 -1.526 1.00 . A A . 9 LEU HB2 1 1
10 2416 1 1 10 LEU HB3 H -2.902 -3.700 -0.078 1.00 . A A . 9 LEU HB3 1 1
10 2417 1 1 10 LEU HD11 H -4.561 -3.931 -3.218 1.00 . A A . 9 LEU HD11 1 1
10 2418 1 1 10 LEU HD12 H -5.927 -3.306 -2.298 1.00 . A A . 9 LEU HD12 1 1
10 2419 1 1 10 LEU HD13 H -5.886 -5.002 -2.772 1.00 . A A . 9 LEU HD13 1 1
10 2420 1 1 10 LEU HD21 H -2.752 -5.569 -0.858 1.00 . A A . 9 LEU HD21 1 1
10 2421 1 1 10 LEU HD22 H -3.594 -5.964 -2.357 1.00 . A A . 9 LEU HD22 1 1
10 2422 1 1 10 LEU HD23 H -4.208 -6.563 -0.816 1.00 . A A . 9 LEU HD23 1 1
10 2423 1 1 10 LEU HG H -5.332 -4.709 -0.410 1.00 . A A . 9 LEU HG 1 1
10 2424 1 1 10 LEU N N -3.668 -1.021 0.249 1.00 . A A . 9 LEU N 1 1
10 2425 1 1 10 LEU O O -5.780 -3.463 1.798 1.00 . A A . 9 LEU O 1 1
10 2426 1 1 11 LEU C C -4.690 -2.429 4.852 1.00 . A A . 10 LEU C 1 1
10 2427 1 1 11 LEU CA C -3.767 -3.247 3.924 1.00 . A A . 10 LEU CA 1 1
10 2428 1 1 11 LEU CB C -2.333 -3.337 4.515 1.00 . A A . 10 LEU CB 1 1
10 2429 1 1 11 LEU CD1 C -2.134 -5.637 5.622 1.00 . A A . 10 LEU CD1 1 1
10 2430 1 1 11 LEU CD2 C -0.898 -3.666 6.559 1.00 . A A . 10 LEU CD2 1 1
10 2431 1 1 11 LEU CG C -2.156 -4.123 5.836 1.00 . A A . 10 LEU CG 1 1
10 2432 1 1 11 LEU H H -2.895 -2.229 2.267 1.00 . A A . 10 LEU H 1 1
10 2433 1 1 11 LEU HA H -4.164 -4.250 3.852 1.00 . A A . 10 LEU HA 1 1
10 2434 1 1 11 LEU HB2 H -1.698 -3.787 3.779 1.00 . A A . 10 LEU HB2 1 1
10 2435 1 1 11 LEU HB3 H -1.982 -2.330 4.683 1.00 . A A . 10 LEU HB3 1 1
10 2436 1 1 11 LEU HD11 H -1.184 -6.031 5.948 1.00 . A A . 10 LEU HD11 1 1
10 2437 1 1 11 LEU HD12 H -2.278 -5.865 4.575 1.00 . A A . 10 LEU HD12 1 1
10 2438 1 1 11 LEU HD13 H -2.924 -6.089 6.199 1.00 . A A . 10 LEU HD13 1 1
10 2439 1 1 11 LEU HD21 H -0.732 -4.288 7.421 1.00 . A A . 10 LEU HD21 1 1
10 2440 1 1 11 LEU HD22 H -1.019 -2.641 6.871 1.00 . A A . 10 LEU HD22 1 1
10 2441 1 1 11 LEU HD23 H -0.052 -3.738 5.889 1.00 . A A . 10 LEU HD23 1 1
10 2442 1 1 11 LEU HG H -2.994 -3.904 6.474 1.00 . A A . 10 LEU HG 1 1
10 2443 1 1 11 LEU N N -3.710 -2.700 2.541 1.00 . A A . 10 LEU N 1 1
10 2444 1 1 11 LEU O O -5.716 -2.957 5.306 1.00 . A A . 10 LEU O 1 1
10 2445 1 1 12 . C C -6.487 0.023 5.577 1.00 . A A . 11 MK8 C 1 1
10 2446 1 1 12 . CA C -5.038 -0.194 6.093 1.00 . A A . 11 MK8 CA 1 1
10 2447 1 1 12 . CB C -4.348 1.220 6.135 1.00 . A A . 11 MK8 CB 1 1
10 2448 1 1 12 . CB1 C -5.079 -0.759 7.548 1.00 . A A . 11 MK8 CB1 1 1
10 2449 1 1 12 . CD C -2.293 2.662 6.506 1.00 . A A . 11 MK8 CD 1 1
10 2450 1 1 12 . CE C -0.755 2.916 6.474 1.00 . A A . 11 MK8 CE 1 1
10 2451 1 1 12 . CG C -2.799 1.262 6.192 1.00 . A A . 11 MK8 CG 1 1
10 2452 1 1 12 . HB H -4.717 1.747 7.004 1.00 . A A . 11 MK8 HB 1 1
10 2453 1 1 12 . HB1 H -5.045 0.061 8.242 1.00 . A A . 11 MK8 HB1 1 1
10 2454 1 1 12 . HB1A H -4.223 -1.401 7.712 1.00 . A A . 11 MK8 HB1A 1 1
10 2455 1 1 12 . HB1B H -5.990 -1.331 7.700 1.00 . A A . 11 MK8 HB1B 1 1
10 2456 1 1 12 . HBA H -4.645 1.779 5.250 1.00 . A A . 11 MK8 HBA 1 1
10 2457 1 1 12 . HD H -2.658 2.929 7.484 1.00 . A A . 11 MK8 HD 1 1
10 2458 1 1 12 . HDA H -2.730 3.336 5.783 1.00 . A A . 11 MK8 HDA 1 1
10 2459 1 1 12 . HE H -0.234 2.745 7.392 1.00 . A A . 11 MK8 HE 1 1
10 2460 1 1 12 . HG H -2.394 0.969 5.228 1.00 . A A . 11 MK8 HG 1 1
10 2461 1 1 12 . HGA H -2.453 0.573 6.949 1.00 . A A . 11 MK8 HGA 1 1
10 2462 1 1 12 . HN H -3.452 -0.823 4.781 1.00 . A A . 11 MK8 HN 1 1
10 2463 1 1 12 . N N -4.287 -1.135 5.166 1.00 . A A . 11 MK8 N 1 1
10 2464 1 1 12 . O O -7.296 0.706 6.265 1.00 . A A . 11 MK8 O 1 1
10 2465 1 1 13 ASP C C -9.188 -1.187 4.490 1.00 . A A . 12 ASP C 1 1
10 2466 1 1 13 ASP CA C -8.106 -0.448 3.693 1.00 . A A . 12 ASP CA 1 1
10 2467 1 1 13 ASP CB C -8.047 -0.998 2.262 1.00 . A A . 12 ASP CB 1 1
10 2468 1 1 13 ASP CG C -9.303 -0.681 1.472 1.00 . A A . 12 ASP CG 1 1
10 2469 1 1 13 ASP H H -6.085 -1.056 3.901 1.00 . A A . 12 ASP H 1 1
10 2470 1 1 13 ASP HA H -8.361 0.604 3.648 1.00 . A A . 12 ASP HA 1 1
10 2471 1 1 13 ASP HB2 H -7.202 -0.575 1.741 1.00 . A A . 12 ASP HB2 1 1
10 2472 1 1 13 ASP HB3 H -7.936 -2.070 2.310 1.00 . A A . 12 ASP HB3 1 1
10 2473 1 1 13 ASP N N -6.788 -0.554 4.356 1.00 . A A . 12 ASP N 1 1
10 2474 1 1 13 ASP O O -10.323 -0.674 4.600 1.00 . A A . 12 ASP O 1 1
10 2475 1 1 13 ASP OD1 O -10.393 -1.097 1.896 1.00 . A A . 12 ASP OD1 1 1
10 2476 1 1 13 ASP OD2 O -9.190 -0.007 0.432 1.00 . A A . 12 ASP OD2 1 1
10 2477 1 1 14 SER C C -9.910 -2.684 7.195 1.00 . A A . 13 SER C 1 1
10 2478 1 1 14 SER CA C -9.690 -3.277 5.812 1.00 . A A . 13 SER CA 1 1
10 2479 1 1 14 SER CB C -9.097 -4.672 5.936 1.00 . A A . 13 SER CB 1 1
10 2480 1 1 14 SER H H -7.883 -2.713 4.855 1.00 . A A . 13 SER H 1 1
10 2481 1 1 14 SER HA H -10.630 -3.341 5.300 1.00 . A A . 13 SER HA 1 1
10 2482 1 1 14 SER HB2 H -8.116 -4.602 6.374 1.00 . A A . 13 SER HB2 1 1
10 2483 1 1 14 SER HB3 H -9.734 -5.278 6.560 1.00 . A A . 13 SER HB3 1 1
10 2484 1 1 14 SER HG H -8.471 -6.093 4.766 1.00 . A A . 13 SER HG 1 1
10 2485 1 1 14 SER N N -8.801 -2.408 5.019 1.00 . A A . 13 SER N 1 1
10 2486 1 1 14 SER O O -11.032 -2.628 7.684 1.00 . A A . 13 SER O 1 1
10 2487 1 1 14 SER OG O -8.987 -5.289 4.674 1.00 . A A . 13 SER OG 1 1
10 2488 1 1 15 NH2 HN1 H -7.977 -2.251 7.354 1.00 . A A . 14 NH2 HN1 1 1
10 2489 1 1 15 NH2 HN2 H -8.963 -1.806 8.704 1.00 . A A . 14 NH2 HN2 1 1
10 2490 1 1 15 NH2 N N -8.843 -2.201 7.813 1.00 . A A . 14 NH2 N 1 1
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