NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
649292 |
6pv3   |
30644 | cing | 4-filtered-FRED | STAR | entry | full | 325 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6pv3
# This FRED archive file contains, for PDB entry <6pv3>:
#
# - 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_6pv3
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6pv3
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all other bound"
_Assembly.Molecular_mass 3682.56
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 $Transcription_factor_Sp1 A . 1 1
2 . 2 $ZINC_ION B . 1 1
stop_
loop_
_PDBX_nonpoly_scheme.Entity_assembly_ID
_PDBX_nonpoly_scheme.Entity_ID
_PDBX_nonpoly_scheme.Mon_ID
_PDBX_nonpoly_scheme.Comp_index_ID
_PDBX_nonpoly_scheme.Comp_ID
_PDBX_nonpoly_scheme.Entry_ID
_PDBX_nonpoly_scheme.Assembly_ID
2 2 ZN 1 ZN 1 1
stop_
save_
save_Transcription_factor_Sp1
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Transcription factor Sp1"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code PFXCTWXGCGKXFTRSXELQXHKXTHXGEKX
_Entity.Number_of_monomers 31
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 PRO . 1 1
2 PHE . 1 1
3 . $. 1 1
4 CYS . 1 1
5 THR . 1 1
6 TRP . 1 1
7 ABA $ABA 1 1
8 GLY . 1 1
9 CYS . 1 1
10 GLY . 1 1
11 LYS . 1 1
12 . $. 1 1
13 PHE . 1 1
14 THR . 1 1
15 ARG . 1 1
16 SER . 1 1
17 . $. 1 1
18 GLU . 1 1
19 LEU . 1 1
20 GLN . 1 1
21 . $. 1 1
22 HIS . 1 1
23 LYS . 1 1
24 . $. 1 1
25 THR . 1 1
26 HIS . 1 1
27 . $. 1 1
28 GLY . 1 1
29 GLU . 1 1
30 LYS . 1 1
31 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
PRO 1 1 1 1
PHE 2 2 1 1
. 3 3 1 1
CYS 4 4 1 1
THR 5 5 1 1
TRP 6 6 1 1
ABA 7 7 1 1
GLY 8 8 1 1
CYS 9 9 1 1
GLY 10 10 1 1
LYS 11 11 1 1
. 12 12 1 1
PHE 13 13 1 1
THR 14 14 1 1
ARG 15 15 1 1
SER 16 16 1 1
. 17 17 1 1
GLU 18 18 1 1
LEU 19 19 1 1
GLN 20 20 1 1
. 21 21 1 1
HIS 22 22 1 1
LYS 23 23 1 1
. 24 24 1 1
THR 25 25 1 1
HIS 26 26 1 1
. 27 27 1 1
GLY 28 28 1 1
GLU 29 29 1 1
LYS 30 30 1 1
NH2 31 31 1 1
stop_
save_
save_ZINC_ION
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "ZINC ION"
_Entity.Type non-polymer
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 ZN $ZN 1 2
stop_
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_ZN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ZN
_Chem_comp.Type non-polymer
save_
save_ABA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ABA
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 2 . OR 1 1
5 2 . 3 . 1 1
5 3 . . . 1 1
6 1 2 . OR 1 1
6 2 . 3 . 1 1
6 3 . . . 1 1
7 1 2 . OR 1 1
7 2 . 3 . 1 1
7 3 . 4 . 1 1
7 4 . . . 1 1
8 1 2 . OR 1 1
8 2 . 3 . 1 1
8 3 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 2 . OR 1 1
12 2 . 3 . 1 1
12 3 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
119 1 . . . 1 1
120 1 . . . 1 1
121 1 . . . 1 1
122 1 . . . 1 1
123 1 . . . 1 1
124 1 . . . 1 1
125 1 . . . 1 1
126 1 . . . 1 1
127 1 . . . 1 1
128 1 . . . 1 1
129 1 . . . 1 1
130 1 . . . 1 1
131 1 . . . 1 1
132 1 . . . 1 1
133 1 . . . 1 1
134 1 . . . 1 1
135 1 . . . 1 1
136 1 . . . 1 1
137 1 . . . 1 1
138 1 . . . 1 1
139 1 . . . 1 1
140 1 . . . 1 1
141 1 . . . 1 1
142 1 . . . 1 1
143 1 . . . 1 1
144 1 . . . 1 1
145 1 . . . 1 1
146 1 . . . 1 1
147 1 . . . 1 1
148 1 . . . 1 1
149 1 . . . 1 1
150 1 . . . 1 1
151 1 . . . 1 1
152 1 . . . 1 1
153 1 . . . 1 1
154 1 . . . 1 1
155 1 . . . 1 1
156 1 . . . 1 1
157 1 . . . 1 1
158 1 . . . 1 1
159 1 . . . 1 1
160 1 . . . 1 1
161 1 . . . 1 1
162 1 . . . 1 1
163 1 . . . 1 1
164 1 . . . 1 1
165 1 . . . 1 1
166 1 . . . 1 1
167 1 . . . 1 1
168 1 . . . 1 1
169 1 . . . 1 1
170 1 . . . 1 1
171 1 . . . 1 1
172 1 . . . 1 1
173 1 . . . 1 1
174 1 . . . 1 1
175 1 . . . 1 1
176 1 . . . 1 1
177 1 . . . 1 1
178 1 . . . 1 1
179 1 . . . 1 1
180 1 . . . 1 1
181 1 . . . 1 1
182 1 . . . 1 1
183 1 . . . 1 1
184 1 . . . 1 1
185 1 . . . 1 1
186 1 . . . 1 1
187 1 . . . 1 1
188 1 . . . 1 1
189 1 . . . 1 1
190 1 . . . 1 1
191 1 . . . 1 1
192 1 . . . 1 1
193 1 . . . 1 1
194 1 . . . 1 1
195 1 . . . 1 1
196 1 . . . 1 1
197 1 . . . 1 1
198 1 . . . 1 1
199 1 . . . 1 1
200 1 . . . 1 1
201 1 . . . 1 1
202 1 . . . 1 1
203 1 . . . 1 1
204 1 . . . 1 1
205 1 . . . 1 1
206 1 . . . 1 1
207 1 . . . 1 1
208 1 . . . 1 1
209 1 . . . 1 1
210 1 . . . 1 1
211 1 . . . 1 1
212 1 . . . 1 1
213 1 . . . 1 1
214 1 . . . 1 1
215 1 . . . 1 1
216 1 . . . 1 1
217 1 . . . 1 1
218 1 . . . 1 1
219 1 . . . 1 1
220 1 . . . 1 1
221 1 . . . 1 1
222 1 . . . 1 1
223 1 . . . 1 1
224 1 . . . 1 1
225 1 . . . 1 1
226 1 . . . 1 1
227 1 . . . 1 1
228 1 . . . 1 1
229 1 . . . 1 1
230 1 . . . 1 1
231 1 . . . 1 1
232 1 . . . 1 1
233 1 . . . 1 1
234 1 . . . 1 1
235 1 . . . 1 1
236 1 . . . 1 1
237 1 . . . 1 1
238 1 . . . 1 1
239 1 . . . 1 1
240 1 . . . 1 1
241 1 . . . 1 1
242 1 . . . 1 1
243 1 . . . 1 1
244 1 . . . 1 1
245 1 . . . 1 1
246 1 . . . 1 1
247 1 . . . 1 1
248 1 . . . 1 1
249 1 . . . 1 1
250 1 . . . 1 1
251 1 . . . 1 1
252 1 . . . 1 1
253 1 . . . 1 1
254 1 . . . 1 1
255 1 . . . 1 1
256 1 . . . 1 1
257 1 . . . 1 1
258 1 . . . 1 1
259 1 . . . 1 1
260 1 . . . 1 1
261 1 . . . 1 1
262 1 . . . 1 1
263 1 . . . 1 1
264 1 . . . 1 1
265 1 . . . 1 1
266 1 . . . 1 1
267 1 . . . 1 1
268 1 . . . 1 1
269 1 . . . 1 1
270 1 . . . 1 1
271 1 . . . 1 1
272 1 . . . 1 1
273 1 . . . 1 1
274 1 . . . 1 1
275 1 . . . 1 1
276 1 . . . 1 1
277 1 . . . 1 1
278 1 . . . 1 1
279 1 . . . 1 1
280 1 . . . 1 1
281 1 . . . 1 1
282 1 . . . 1 1
283 1 . . . 1 1
284 1 . . . 1 1
285 1 . . . 1 1
286 1 . . . 1 1
287 1 . . . 1 1
288 1 . . . 1 1
289 1 . . . 1 1
290 1 . . . 1 1
291 1 . . . 1 1
292 1 . . . 1 1
293 1 . . . 1 1
294 1 . . . 1 1
295 1 . . . 1 1
296 1 . . . 1 1
297 1 . . . 1 1
298 1 . . . 1 1
299 1 . . . 1 1
300 1 . . . 1 1
301 1 . . . 1 1
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 8 GLY H . 8 . HN 1 1
1 1 1 1 1 9 CYS H . 9 . HN 1 1
1 1 2 1 1 8 GLY HA2 . 8 . HA1 1 1
2 1 1 1 1 2 PHE QB . 2 . HB2 1 1
2 1 1 1 1 19 LEU HA . 19 . HA 1 1
2 1 1 1 1 23 LYS QE . 23 . HE1 1 1
2 1 2 1 1 19 LEU QD . 19 . HD11 1 1
3 1 1 1 1 18 GLU H . 18 . HN 1 1
3 1 1 1 1 19 LEU H . 19 . HN 1 1
3 1 2 1 1 18 GLU HA . 18 . HA 1 1
4 1 1 1 1 8 GLY H . 8 . HN 1 1
4 1 1 1 1 9 CYS H . 9 . HN 1 1
4 1 2 1 1 8 GLY HA3 . 8 . HA2 1 1
5 2 1 1 1 15 ARG HB2 . 15 . HB1 1 1
5 2 2 1 1 15 ARG QG . 15 . HG1 1 1
5 3 1 1 1 23 LYS QB . 23 . HB1 1 1
5 3 2 1 1 23 LYS QD . 23 . HD1 1 1
6 2 1 1 1 10 GLY H . 10 . HN 1 1
6 2 2 1 1 11 LYS QG . 11 . HG1 1 1
6 3 1 1 1 15 ARG QG . 15 . HG1 1 1
6 3 2 1 1 16 SER H . 16 . HN 1 1
7 2 1 1 1 6 TRP HB3 . 6 . HB1 1 1
7 2 2 1 1 6 TRP HE3 . 6 . HE3 1 1
7 3 1 1 1 13 PHE HB2 . 13 . HB1 1 1
7 3 2 1 1 19 LEU H . 19 . HN 1 1
7 4 1 1 1 18 GLU H . 18 . HN 1 1
7 4 2 1 1 18 GLU HG3 . 18 . HG2 1 1
8 2 1 1 1 26 HIS HA . 26 . HA 1 1
8 2 2 1 1 26 HIS HB2 . 26 . HB2 1 1
8 3 1 1 1 29 GLU HA . 29 . HA 1 1
8 3 2 1 1 29 GLU HG2 . 29 . HG1 1 1
9 1 1 1 1 18 GLU H . 18 . HN 1 1
9 1 1 1 1 19 LEU H . 19 . HN 1 1
9 1 2 1 1 18 GLU HB2 . 18 . HB1 1 1
10 1 1 1 1 29 GLU H . 29 . HN 1 1
10 1 1 1 1 30 LYS H . 30 . HN 1 1
10 1 2 1 1 29 GLU HA . 29 . HA 1 1
11 1 1 1 1 4 CYS HB3 . 4 . HB2 1 1
11 1 1 1 1 13 PHE HB3 . 13 . HB2 1 1
11 1 2 1 1 19 LEU QD . 19 . HD21 1 1
12 2 1 1 1 6 TRP HE3 . 6 . HE3 1 1
12 2 2 1 1 23 LYS QD . 23 . HD1 1 1
12 3 1 1 1 15 ARG QG . 15 . HG1 1 1
12 3 2 1 1 18 GLU H . 18 . HN 1 1
13 1 1 1 1 9 CYS QB . 9 . HB1 1 1
13 1 2 1 1 11 LYS H . 11 . HN 1 1
13 1 2 1 1 26 HIS HE1 . 26 . HE1 1 1
14 1 1 1 1 19 LEU HA . 19 . HA 1 1
14 1 1 1 1 23 LYS QE . 23 . HE1 1 1
14 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1
15 1 1 1 1 13 PHE HB2 . 13 . HB1 1 1
15 1 1 1 1 18 GLU HG3 . 18 . HG2 1 1
15 1 2 1 1 13 PHE QE . 13 . HE1 1 1
16 1 1 1 1 7 ABA H . 7 . HN 1 1
16 1 2 1 1 8 GLY H . 8 . HN 1 1
16 1 2 1 1 9 CYS H . 9 . HN 1 1
17 1 1 1 1 29 GLU H . 29 . HN 1 1
17 1 1 1 1 30 LYS H . 30 . HN 1 1
17 1 2 1 1 29 GLU HB3 . 29 . HB2 1 1
18 1 1 1 1 8 GLY HA3 . 8 . HA2 1 1
18 1 1 1 1 10 GLY QA . 10 . HA2 1 1
18 1 2 1 1 9 CYS QB . 9 . HB2 1 1
19 1 1 1 1 13 PHE HB3 . 13 . HB2 1 1
19 1 2 1 1 18 GLU H . 18 . HN 1 1
19 1 2 1 1 19 LEU H . 19 . HN 1 1
20 1 1 1 1 19 LEU HA . 19 . HA 1 1
20 1 1 1 1 23 LYS QE . 23 . HE1 1 1
20 1 2 1 1 23 LYS H . 23 . HN 1 1
21 1 1 1 1 1 PRO QB . 1 . HB1 1 1
21 1 1 1 1 15 ARG QG . 15 . HG1 1 1
21 1 2 1 1 14 THR HA . 14 . HA 1 1
22 1 1 1 1 6 TRP HD1 . 6 . HD1 1 1
22 1 2 1 1 8 GLY H . 8 . HN 1 1
22 1 2 1 1 9 CYS H . 9 . HN 1 1
23 1 1 1 1 1 PRO QB . 1 . HB1 1 1
23 1 2 1 1 1 PRO HG2 . 1 . HG1 1 1
24 1 1 1 1 6 TRP HH2 . 6 . HH2 1 1
24 1 2 1 1 6 TRP HZ3 . 6 . HZ3 1 1
25 1 1 1 1 29 GLU HB3 . 29 . HB2 1 1
25 1 2 1 1 29 GLU HG2 . 29 . HG1 1 1
26 1 1 1 1 23 LYS QD . 23 . HD1 1 1
26 1 2 1 1 23 LYS QG . 23 . HG1 1 1
27 1 1 1 1 5 THR HB . 5 . HB 1 1
27 1 2 1 1 5 THR MG . 5 . HG21 1 1
28 1 1 1 1 13 PHE HB2 . 13 . HB1 1 1
28 1 2 1 1 13 PHE QD . 13 . HD1 1 1
29 1 1 1 1 16 SER HA . 16 . HA 1 1
29 1 2 1 1 19 LEU HB3 . 19 . HB2 1 1
30 1 1 1 1 11 LYS QD . 11 . HD1 1 1
30 1 2 1 1 11 LYS QG . 11 . HG1 1 1
31 1 1 1 1 23 LYS HA . 23 . HA 1 1
31 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
32 1 1 1 1 6 TRP HA . 6 . HA 1 1
32 1 2 1 1 7 ABA H . 7 . HN 1 1
33 1 1 1 1 13 PHE HB3 . 13 . HB2 1 1
33 1 2 1 1 13 PHE QD . 13 . HD1 1 1
34 1 1 1 1 11 LYS QB . 11 . HB1 1 1
34 1 2 1 1 11 LYS QG . 11 . HG1 1 1
35 1 1 1 1 2 PHE QB . 2 . HB2 1 1
35 1 2 1 1 2 PHE QD . 2 . HD1 1 1
36 1 1 1 1 9 CYS QB . 9 . HB1 1 1
36 1 2 1 1 10 GLY H . 10 . HN 1 1
37 1 1 1 1 18 GLU HB3 . 18 . HB2 1 1
37 1 2 1 1 18 GLU HG3 . 18 . HG2 1 1
38 1 1 1 1 30 LYS HD3 . 30 . HD2 1 1
38 1 2 1 1 30 LYS QE . 30 . HE1 1 1
39 1 1 1 1 25 THR HA . 25 . HA 1 1
39 1 2 1 1 25 THR HB . 25 . HB 1 1
40 1 1 1 1 1 PRO QD . 1 . HD1 1 1
40 1 2 1 1 1 PRO HG2 . 1 . HG1 1 1
41 1 1 1 1 23 LYS HA . 23 . HA 1 1
41 1 2 1 1 23 LYS QB . 23 . HB1 1 1
42 1 1 1 1 1 PRO QD . 1 . HD1 1 1
42 1 2 1 1 1 PRO HG3 . 1 . HG2 1 1
43 1 1 1 1 15 ARG HA . 15 . HA 1 1
43 1 2 1 1 16 SER H . 16 . HN 1 1
44 1 1 1 1 11 LYS H . 11 . HN 1 1
44 1 2 1 1 11 LYS QB . 11 . HB1 1 1
45 1 1 1 1 22 HIS HA . 22 . HA 1 1
45 1 2 1 1 22 HIS HB2 . 22 . HB1 1 1
46 1 1 1 1 10 GLY H . 10 . HN 1 1
46 1 2 1 1 10 GLY QA . 10 . HA1 1 1
47 1 1 1 1 5 THR HA . 5 . HA 1 1
47 1 2 1 1 5 THR MG . 5 . HG21 1 1
48 1 1 1 1 19 LEU HA . 19 . HA 1 1
48 1 2 1 1 19 LEU HB2 . 19 . HB1 1 1
49 1 1 1 1 20 GLN HB3 . 20 . HB2 1 1
49 1 2 1 1 20 GLN QG . 20 . HG1 1 1
50 1 1 1 1 20 GLN HA . 20 . HA 1 1
50 1 2 1 1 20 GLN QG . 20 . HG1 1 1
51 1 1 1 1 19 LEU HA . 19 . HA 1 1
51 1 2 1 1 19 LEU QD . 19 . HD21 1 1
52 1 1 1 1 22 HIS H . 22 . HN 1 1
52 1 2 1 1 22 HIS HB3 . 22 . HB2 1 1
53 1 1 1 1 25 THR HB . 25 . HB 1 1
53 1 2 1 1 25 THR MG . 25 . HG21 1 1
54 1 1 1 1 6 TRP H . 6 . HN 1 1
54 1 2 1 1 6 TRP HB2 . 6 . HB2 1 1
55 1 1 1 1 19 LEU HB2 . 19 . HB1 1 1
55 1 2 1 1 19 LEU HG . 19 . HG 1 1
56 1 1 1 1 19 LEU H . 19 . HN 1 1
56 1 2 1 1 19 LEU HB3 . 19 . HB2 1 1
57 1 1 1 1 18 GLU HA . 18 . HA 1 1
57 1 2 1 1 18 GLU HG2 . 18 . HG1 1 1
58 1 1 1 1 19 LEU HB3 . 19 . HB2 1 1
58 1 2 1 1 19 LEU HG . 19 . HG 1 1
59 1 1 1 1 4 CYS HA . 4 . HA 1 1
59 1 2 1 1 4 CYS HB2 . 4 . HB1 1 1
60 1 1 1 1 9 CYS H . 9 . HN 1 1
60 1 2 1 1 9 CYS QB . 9 . HB1 1 1
61 1 1 1 1 2 PHE HA . 2 . HA 1 1
61 1 2 1 1 2 PHE QB . 2 . HB2 1 1
62 1 1 1 1 20 GLN HB2 . 20 . HB1 1 1
62 1 2 1 1 20 GLN QG . 20 . HG1 1 1
63 1 1 1 1 4 CYS HB2 . 4 . HB1 1 1
63 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1
64 1 1 1 1 14 THR MG . 14 . HG21 1 1
64 1 2 1 1 15 ARG QG . 15 . HG1 1 1
65 1 1 1 1 15 ARG HD2 . 15 . HD1 1 1
65 1 2 1 1 15 ARG QG . 15 . HG1 1 1
66 1 1 1 1 22 HIS H . 22 . HN 1 1
66 1 2 1 1 22 HIS HB2 . 22 . HB1 1 1
67 1 1 1 1 4 CYS HB2 . 4 . HB1 1 1
67 1 2 1 1 13 PHE QE . 13 . HE1 1 1
68 1 1 1 1 25 THR HA . 25 . HA 1 1
68 1 2 1 1 25 THR MG . 25 . HG21 1 1
69 1 1 1 1 16 SER HA . 16 . HA 1 1
69 1 2 1 1 16 SER HB3 . 16 . HB2 1 1
70 1 1 1 1 15 ARG HA . 15 . HA 1 1
70 1 2 1 1 15 ARG HB3 . 15 . HB2 1 1
71 1 1 1 1 18 GLU HA . 18 . HA 1 1
71 1 2 1 1 18 GLU HB2 . 18 . HB1 1 1
72 1 1 1 1 15 ARG HB3 . 15 . HB2 1 1
72 1 2 1 1 15 ARG QG . 15 . HG1 1 1
73 1 1 1 1 11 LYS QB . 11 . HB1 1 1
73 1 2 1 1 13 PHE QE . 13 . HE1 1 1
74 1 1 1 1 2 PHE HA . 2 . HA 1 1
74 1 2 1 1 2 PHE QD . 2 . HD1 1 1
75 1 1 1 1 13 PHE QD . 13 . HD1 1 1
75 1 2 1 1 19 LEU QD . 19 . HD21 1 1
76 1 1 1 1 4 CYS H . 4 . HN 1 1
76 1 2 1 1 4 CYS HB3 . 4 . HB2 1 1
77 1 1 1 1 4 CYS HB2 . 4 . HB1 1 1
77 1 2 1 1 19 LEU QD . 19 . HD21 1 1
78 1 1 1 1 19 LEU HB3 . 19 . HB2 1 1
78 1 2 1 1 19 LEU QD . 19 . HD11 1 1
79 1 1 1 1 6 TRP H . 6 . HN 1 1
79 1 2 1 1 6 TRP HB3 . 6 . HB1 1 1
80 1 1 1 1 26 HIS HB2 . 26 . HB2 1 1
80 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
81 1 1 1 1 9 CYS QB . 9 . HB2 1 1
81 1 2 1 1 26 HIS HE1 . 26 . HE1 1 1
82 1 1 1 1 15 ARG HA . 15 . HA 1 1
82 1 2 1 1 15 ARG QG . 15 . HG1 1 1
83 1 1 1 1 2 PHE QE . 2 . HE1 1 1
83 1 2 1 1 15 ARG HA . 15 . HA 1 1
84 1 1 1 1 26 HIS HA . 26 . HA 1 1
84 1 2 1 1 26 HIS HB3 . 26 . HB1 1 1
85 1 1 1 1 19 LEU H . 19 . HN 1 1
85 1 2 1 1 19 LEU HB2 . 19 . HB1 1 1
86 1 1 1 1 4 CYS HA . 4 . HA 1 1
86 1 2 1 1 19 LEU QD . 19 . HD21 1 1
87 1 1 1 1 20 GLN HA . 20 . HA 1 1
87 1 2 1 1 23 LYS QB . 23 . HB1 1 1
88 1 1 1 1 6 TRP HA . 6 . HA 1 1
88 1 2 1 1 6 TRP HB2 . 6 . HB2 1 1
89 1 1 1 1 28 GLY H . 28 . HN 1 1
89 1 2 1 1 28 GLY HA3 . 28 . HA2 1 1
90 1 1 1 1 29 GLU HB2 . 29 . HB1 1 1
90 1 2 1 1 29 GLU HG2 . 29 . HG1 1 1
91 1 1 1 1 16 SER HA . 16 . HA 1 1
91 1 2 1 1 19 LEU HB2 . 19 . HB1 1 1
92 1 1 1 1 13 PHE H . 13 . HN 1 1
92 1 2 1 1 13 PHE QD . 13 . HD1 1 1
93 1 1 1 1 19 LEU QD . 19 . HD21 1 1
93 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1
94 1 1 1 1 15 ARG H . 15 . HN 1 1
94 1 2 1 1 15 ARG HB2 . 15 . HB1 1 1
95 1 1 1 1 4 CYS H . 4 . HN 1 1
95 1 2 1 1 4 CYS HB2 . 4 . HB1 1 1
96 1 1 1 1 6 TRP HA . 6 . HA 1 1
96 1 2 1 1 6 TRP HB3 . 6 . HB1 1 1
97 1 1 1 1 14 THR HA . 14 . HA 1 1
97 1 2 1 1 14 THR MG . 14 . HG21 1 1
98 1 1 1 1 14 THR HA . 14 . HA 1 1
98 1 2 1 1 14 THR HB . 14 . HB 1 1
99 1 1 1 1 13 PHE HA . 13 . HA 1 1
99 1 2 1 1 13 PHE QD . 13 . HD1 1 1
100 1 1 1 1 20 GLN HA . 20 . HA 1 1
100 1 2 1 1 20 GLN HB3 . 20 . HB2 1 1
101 1 1 1 1 22 HIS HB3 . 22 . HB2 1 1
101 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1
102 1 1 1 1 19 LEU HB3 . 19 . HB2 1 1
102 1 2 1 1 20 GLN H . 20 . HN 1 1
103 1 1 1 1 13 PHE QD . 13 . HD1 1 1
103 1 2 1 1 18 GLU HB2 . 18 . HB1 1 1
104 1 1 1 1 25 THR H . 25 . HN 1 1
104 1 2 1 1 25 THR HA . 25 . HA 1 1
105 1 1 1 1 15 ARG HD3 . 15 . HD2 1 1
105 1 2 1 1 15 ARG QG . 15 . HG1 1 1
106 1 1 1 1 13 PHE HA . 13 . HA 1 1
106 1 2 1 1 13 PHE HB3 . 13 . HB2 1 1
107 1 1 1 1 6 TRP HB3 . 6 . HB1 1 1
107 1 2 1 1 9 CYS QB . 9 . HB1 1 1
108 1 1 1 1 19 LEU H . 19 . HN 1 1
108 1 2 1 1 20 GLN H . 20 . HN 1 1
109 1 1 1 1 11 LYS H . 11 . HN 1 1
109 1 2 1 1 11 LYS HA . 11 . HA 1 1
110 1 1 1 1 20 GLN H . 20 . HN 1 1
110 1 2 1 1 20 GLN HB2 . 20 . HB1 1 1
111 1 1 1 1 20 GLN HA . 20 . HA 1 1
111 1 2 1 1 20 GLN HB2 . 20 . HB1 1 1
112 1 1 1 1 16 SER HA . 16 . HA 1 1
112 1 2 1 1 16 SER HB2 . 16 . HB1 1 1
113 1 1 1 1 23 LYS H . 23 . HN 1 1
113 1 2 1 1 23 LYS QB . 23 . HB1 1 1
114 1 1 1 1 25 THR H . 25 . HN 1 1
114 1 2 1 1 25 THR MG . 25 . HG21 1 1
115 1 1 1 1 19 LEU H . 19 . HN 1 1
115 1 2 1 1 19 LEU HA . 19 . HA 1 1
116 1 1 1 1 22 HIS HB3 . 22 . HB2 1 1
116 1 2 1 1 23 LYS H . 23 . HN 1 1
117 1 1 1 1 25 THR H . 25 . HN 1 1
117 1 2 1 1 26 HIS H . 26 . HN 1 1
118 1 1 1 1 2 PHE QB . 2 . HB2 1 1
118 1 2 1 1 19 LEU HG . 19 . HG 1 1
119 1 1 1 1 6 TRP HB2 . 6 . HB2 1 1
119 1 2 1 1 6 TRP HE3 . 6 . HE3 1 1
120 1 1 1 1 13 PHE HB2 . 13 . HB1 1 1
120 1 2 1 1 19 LEU HB2 . 19 . HB1 1 1
121 1 1 1 1 23 LYS HA . 23 . HA 1 1
121 1 2 1 1 23 LYS QD . 23 . HD1 1 1
122 1 1 1 1 13 PHE H . 13 . HN 1 1
122 1 2 1 1 13 PHE HB2 . 13 . HB1 1 1
123 1 1 1 1 15 ARG HA . 15 . HA 1 1
123 1 2 1 1 15 ARG HB2 . 15 . HB1 1 1
124 1 1 1 1 4 CYS HB3 . 4 . HB2 1 1
124 1 2 1 1 11 LYS H . 11 . HN 1 1
125 1 1 1 1 6 TRP HB3 . 6 . HB1 1 1
125 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1
126 1 1 1 1 22 HIS H . 22 . HN 1 1
126 1 2 1 1 22 HIS HA . 22 . HA 1 1
127 1 1 1 1 9 CYS H . 9 . HN 1 1
127 1 2 1 1 9 CYS HA . 9 . HA 1 1
128 1 1 1 1 19 LEU HA . 19 . HA 1 1
128 1 2 1 1 19 LEU HB3 . 19 . HB2 1 1
129 1 1 1 1 22 HIS HA . 22 . HA 1 1
129 1 2 1 1 22 HIS HB3 . 22 . HB2 1 1
130 1 1 1 1 20 GLN H . 20 . HN 1 1
130 1 2 1 1 20 GLN HB3 . 20 . HB2 1 1
131 1 1 1 1 25 THR H . 25 . HN 1 1
131 1 2 1 1 25 THR HB . 25 . HB 1 1
132 1 1 1 1 23 LYS H . 23 . HN 1 1
132 1 2 1 1 23 LYS HA . 23 . HA 1 1
133 1 1 1 1 20 GLN H . 20 . HN 1 1
133 1 2 1 1 20 GLN HA . 20 . HA 1 1
134 1 1 1 1 4 CYS HA . 4 . HA 1 1
134 1 2 1 1 4 CYS HB3 . 4 . HB2 1 1
135 1 1 1 1 11 LYS H . 11 . HN 1 1
135 1 2 1 1 11 LYS QG . 11 . HG1 1 1
136 1 1 1 1 19 LEU HB2 . 19 . HB1 1 1
136 1 2 1 1 19 LEU QD . 19 . HD11 1 1
137 1 1 1 1 18 GLU HA . 18 . HA 1 1
137 1 2 1 1 18 GLU HG3 . 18 . HG2 1 1
138 1 1 1 1 10 GLY H . 10 . HN 1 1
138 1 2 1 1 11 LYS H . 11 . HN 1 1
139 1 1 1 1 28 GLY H . 28 . HN 1 1
139 1 2 1 1 28 GLY HA2 . 28 . HA1 1 1
140 1 1 1 1 23 LYS QG . 23 . HG1 1 1
140 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
141 1 1 1 1 6 TRP H . 6 . HN 1 1
141 1 2 1 1 6 TRP HA . 6 . HA 1 1
142 1 1 1 1 29 GLU HA . 29 . HA 1 1
142 1 2 1 1 29 GLU HB2 . 29 . HB1 1 1
143 1 1 1 1 18 GLU HB2 . 18 . HB1 1 1
143 1 2 1 1 18 GLU HG2 . 18 . HG1 1 1
144 1 1 1 1 15 ARG HB2 . 15 . HB1 1 1
144 1 2 1 1 18 GLU H . 18 . HN 1 1
145 1 1 1 1 11 LYS QB . 11 . HB1 1 1
145 1 2 1 1 13 PHE HZ . 13 . HZ 1 1
146 1 1 1 1 13 PHE QD . 13 . HD1 1 1
146 1 2 1 1 18 GLU HB3 . 18 . HB2 1 1
147 1 1 1 1 13 PHE HZ . 13 . HZ 1 1
147 1 2 1 1 22 HIS HB2 . 22 . HB1 1 1
148 1 1 1 1 13 PHE HB3 . 13 . HB2 1 1
148 1 2 1 1 15 ARG H . 15 . HN 1 1
149 1 1 1 1 16 SER HA . 16 . HA 1 1
149 1 2 1 1 19 LEU QD . 19 . HD11 1 1
150 1 1 1 1 16 SER H . 16 . HN 1 1
150 1 2 1 1 16 SER HB2 . 16 . HB1 1 1
151 1 1 1 1 5 THR HA . 5 . HA 1 1
151 1 2 1 1 10 GLY QA . 10 . HA1 1 1
152 1 1 1 1 15 ARG H . 15 . HN 1 1
152 1 2 1 1 15 ARG HA . 15 . HA 1 1
153 1 1 1 1 15 ARG H . 15 . HN 1 1
153 1 2 1 1 15 ARG HB3 . 15 . HB2 1 1
154 1 1 1 1 22 HIS HD2 . 22 . HD2 1 1
154 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
155 1 1 1 1 16 SER H . 16 . HN 1 1
155 1 2 1 1 16 SER HA . 16 . HA 1 1
156 1 1 1 1 16 SER HA . 16 . HA 1 1
156 1 2 1 1 19 LEU H . 19 . HN 1 1
157 1 1 1 1 9 CYS HA . 9 . HA 1 1
157 1 2 1 1 9 CYS QB . 9 . HB2 1 1
158 1 1 1 1 13 PHE QE . 13 . HE1 1 1
158 1 2 1 1 19 LEU QD . 19 . HD21 1 1
159 1 1 1 1 1 PRO QB . 1 . HB2 1 1
159 1 2 1 1 14 THR HA . 14 . HA 1 1
160 1 1 1 1 19 LEU HB2 . 19 . HB1 1 1
160 1 2 1 1 20 GLN H . 20 . HN 1 1
161 1 1 1 1 4 CYS HB3 . 4 . HB2 1 1
161 1 2 1 1 11 LYS QB . 11 . HB1 1 1
162 1 1 1 1 13 PHE QD . 13 . HD1 1 1
162 1 2 1 1 19 LEU HB2 . 19 . HB1 1 1
163 1 1 1 1 15 ARG HB3 . 15 . HB2 1 1
163 1 2 1 1 15 ARG HD2 . 15 . HD1 1 1
164 1 1 1 1 2 PHE QD . 2 . HD1 1 1
164 1 2 1 1 15 ARG HA . 15 . HA 1 1
165 1 1 1 1 23 LYS H . 23 . HN 1 1
165 1 2 1 1 23 LYS QD . 23 . HD1 1 1
166 1 1 1 1 13 PHE HB3 . 13 . HB2 1 1
166 1 2 1 1 18 GLU HB3 . 18 . HB2 1 1
167 1 1 1 1 4 CYS HB3 . 4 . HB2 1 1
167 1 2 1 1 13 PHE QE . 13 . HE1 1 1
168 1 1 1 1 30 LYS HA . 30 . HA 1 1
168 1 2 1 1 30 LYS HB2 . 30 . HB1 1 1
169 1 1 1 1 13 PHE QE . 13 . HE1 1 1
169 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1
170 1 1 1 1 23 LYS HA . 23 . HA 1 1
170 1 2 1 1 23 LYS QG . 23 . HG1 1 1
171 1 1 1 1 23 LYS HA . 23 . HA 1 1
171 1 2 1 1 26 HIS HB2 . 26 . HB2 1 1
172 1 1 1 1 23 LYS QD . 23 . HD2 1 1
172 1 2 1 1 23 LYS QE . 23 . HE1 1 1
173 1 1 1 1 15 ARG H . 15 . HN 1 1
173 1 2 1 1 15 ARG QG . 15 . HG1 1 1
174 1 1 1 1 13 PHE QD . 13 . HD1 1 1
174 1 2 1 1 19 LEU HA . 19 . HA 1 1
175 1 1 1 1 22 HIS H . 22 . HN 1 1
175 1 2 1 1 23 LYS H . 23 . HN 1 1
176 1 1 1 1 15 ARG HB3 . 15 . HB2 1 1
176 1 2 1 1 16 SER H . 16 . HN 1 1
177 1 1 1 1 11 LYS HA . 11 . HA 1 1
177 1 2 1 1 11 LYS QG . 11 . HG1 1 1
178 1 1 1 1 13 PHE QE . 13 . HE1 1 1
178 1 2 1 1 22 HIS HB2 . 22 . HB1 1 1
179 1 1 1 1 13 PHE HA . 13 . HA 1 1
179 1 2 1 1 13 PHE HB2 . 13 . HB1 1 1
180 1 1 1 1 28 GLY HA3 . 28 . HA2 1 1
180 1 2 1 1 29 GLU H . 29 . HN 1 1
181 1 1 1 1 22 HIS HD2 . 22 . HD2 1 1
181 1 2 1 1 23 LYS HA . 23 . HA 1 1
182 1 1 1 1 25 THR HB . 25 . HB 1 1
182 1 2 1 1 26 HIS H . 26 . HN 1 1
183 1 1 1 1 6 TRP H . 6 . HN 1 1
183 1 2 1 1 9 CYS QB . 9 . HB1 1 1
184 1 1 1 1 11 LYS HA . 11 . HA 1 1
184 1 2 1 1 11 LYS QD . 11 . HD1 1 1
185 1 1 1 1 2 PHE QD . 2 . HD1 1 1
185 1 2 1 1 19 LEU QD . 19 . HD11 1 1
186 1 1 1 1 13 PHE HB3 . 13 . HB2 1 1
186 1 2 1 1 19 LEU HB2 . 19 . HB1 1 1
187 1 1 1 1 6 TRP HA . 6 . HA 1 1
187 1 2 1 1 6 TRP HE3 . 6 . HE3 1 1
188 1 1 1 1 4 CYS H . 4 . HN 1 1
188 1 2 1 1 4 CYS HA . 4 . HA 1 1
189 1 1 1 1 20 GLN HA . 20 . HA 1 1
189 1 2 1 1 23 LYS H . 23 . HN 1 1
190 1 1 1 1 22 HIS HA . 22 . HA 1 1
190 1 2 1 1 25 THR MG . 25 . HG21 1 1
191 1 1 1 1 15 ARG HB2 . 15 . HB1 1 1
191 1 2 1 1 16 SER H . 16 . HN 1 1
192 1 1 1 1 13 PHE HB3 . 13 . HB2 1 1
192 1 2 1 1 18 GLU HB2 . 18 . HB1 1 1
193 1 1 1 1 1 PRO HA . 1 . HA 1 1
193 1 2 1 1 2 PHE QD . 2 . HD1 1 1
194 1 1 1 1 22 HIS HD2 . 22 . HD2 1 1
194 1 2 1 1 23 LYS QD . 23 . HD1 1 1
195 1 1 1 1 29 GLU H . 29 . HN 1 1
195 1 2 1 1 29 GLU HB2 . 29 . HB1 1 1
196 1 1 1 1 2 PHE QE . 2 . HE1 1 1
196 1 2 1 1 16 SER H . 16 . HN 1 1
197 1 1 1 1 14 THR HB . 14 . HB 1 1
197 1 2 1 1 15 ARG H . 15 . HN 1 1
198 1 1 1 1 22 HIS HB2 . 22 . HB1 1 1
198 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1
199 1 1 1 1 11 LYS QE . 11 . HE1 1 1
199 1 2 1 1 11 LYS QG . 11 . HG1 1 1
200 1 1 1 1 2 PHE QB . 2 . HB1 1 1
200 1 2 1 1 13 PHE HB3 . 13 . HB2 1 1
201 1 1 1 1 18 GLU H . 18 . HN 1 1
201 1 2 1 1 18 GLU HG2 . 18 . HG1 1 1
202 1 1 1 1 9 CYS H . 9 . HN 1 1
202 1 2 1 1 10 GLY H . 10 . HN 1 1
203 1 1 1 1 13 PHE QE . 13 . HE1 1 1
203 1 2 1 1 22 HIS HB3 . 22 . HB2 1 1
204 1 1 1 1 26 HIS HB3 . 26 . HB1 1 1
204 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
205 1 1 1 1 5 THR HA . 5 . HA 1 1
205 1 2 1 1 6 TRP H . 6 . HN 1 1
206 1 1 1 1 13 PHE HB2 . 13 . HB1 1 1
206 1 2 1 1 19 LEU QD . 19 . HD21 1 1
207 1 1 1 1 6 TRP HB2 . 6 . HB2 1 1
207 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1
208 1 1 1 1 2 PHE QB . 2 . HB1 1 1
208 1 2 1 1 19 LEU QD . 19 . HD21 1 1
209 1 1 1 1 10 GLY QA . 10 . HA2 1 1
209 1 2 1 1 11 LYS H . 11 . HN 1 1
210 1 1 1 1 22 HIS HE1 . 22 . HE1 1 1
210 1 2 1 1 25 THR MG . 25 . HG21 1 1
211 1 1 1 1 29 GLU HA . 29 . HA 1 1
211 1 2 1 1 29 GLU HB3 . 29 . HB2 1 1
212 1 1 1 1 23 LYS QD . 23 . HD1 1 1
212 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
213 1 1 1 1 15 ARG HB3 . 15 . HB2 1 1
213 1 2 1 1 18 GLU H . 18 . HN 1 1
214 1 1 1 1 11 LYS QD . 11 . HD1 1 1
214 1 2 1 1 13 PHE QE . 13 . HE1 1 1
215 1 1 1 1 11 LYS QD . 11 . HD1 1 1
215 1 2 1 1 22 HIS HE1 . 22 . HE1 1 1
216 1 1 1 1 13 PHE H . 13 . HN 1 1
216 1 2 1 1 13 PHE HA . 13 . HA 1 1
217 1 1 1 1 4 CYS HB3 . 4 . HB2 1 1
217 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1
218 1 1 1 1 25 THR HA . 25 . HA 1 1
218 1 2 1 1 26 HIS H . 26 . HN 1 1
219 1 1 1 1 2 PHE QD . 2 . HD1 1 1
219 1 2 1 1 14 THR HA . 14 . HA 1 1
220 1 1 1 1 19 LEU HA . 19 . HA 1 1
220 1 2 1 1 22 HIS H . 22 . HN 1 1
221 1 1 1 1 2 PHE QE . 2 . HE1 1 1
221 1 2 1 1 16 SER HB2 . 16 . HB1 1 1
222 1 1 1 1 25 THR MG . 25 . HG21 1 1
222 1 2 1 1 26 HIS HA . 26 . HA 1 1
223 1 1 1 1 13 PHE H . 13 . HN 1 1
223 1 2 1 1 13 PHE HB3 . 13 . HB2 1 1
224 1 1 1 1 20 GLN HE22 . 20 . HE21 1 1
224 1 2 1 1 20 GLN QG . 20 . HG1 1 1
225 1 1 1 1 6 TRP HB3 . 6 . HB1 1 1
225 1 2 1 1 7 ABA H . 7 . HN 1 1
226 1 1 1 1 6 TRP HB3 . 6 . HB1 1 1
226 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
227 1 1 1 1 19 LEU QD . 19 . HD21 1 1
227 1 2 1 1 22 HIS HB3 . 22 . HB2 1 1
228 1 1 1 1 14 THR MG . 14 . HG21 1 1
228 1 2 1 1 15 ARG H . 15 . HN 1 1
229 1 1 1 1 1 PRO HA . 1 . HA 1 1
229 1 2 1 1 2 PHE H . 2 . HN 1 1
230 1 1 1 1 11 LYS H . 11 . HN 1 1
230 1 2 1 1 11 LYS QD . 11 . HD1 1 1
231 1 1 1 1 28 GLY HA2 . 28 . HA1 1 1
231 1 2 1 1 29 GLU H . 29 . HN 1 1
232 1 1 1 1 26 HIS H . 26 . HN 1 1
232 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
233 1 1 1 1 4 CYS HB3 . 4 . HB2 1 1
233 1 2 1 1 10 GLY H . 10 . HN 1 1
234 1 1 1 1 13 PHE QD . 13 . HD1 1 1
234 1 2 1 1 19 LEU HG . 19 . HG 1 1
235 1 1 1 1 2 PHE QB . 2 . HB1 1 1
235 1 2 1 1 13 PHE H . 13 . HN 1 1
236 1 1 1 1 2 PHE H . 2 . HN 1 1
236 1 2 1 1 2 PHE QD . 2 . HD1 1 1
237 1 1 1 1 11 LYS QB . 11 . HB1 1 1
237 1 2 1 1 13 PHE QD . 13 . HD1 1 1
238 1 1 1 1 2 PHE QD . 2 . HD1 1 1
238 1 2 1 1 16 SER HA . 16 . HA 1 1
239 1 1 1 1 19 LEU HA . 19 . HA 1 1
239 1 2 1 1 20 GLN H . 20 . HN 1 1
240 1 1 1 1 15 ARG HB3 . 15 . HB2 1 1
240 1 2 1 1 15 ARG HD3 . 15 . HD2 1 1
241 1 1 1 1 18 GLU HA . 18 . HA 1 1
241 1 2 1 1 22 HIS H . 22 . HN 1 1
242 1 1 1 1 2 PHE HZ . 2 . HZ 1 1
242 1 2 1 1 15 ARG HA . 15 . HA 1 1
243 1 1 1 1 13 PHE HZ . 13 . HZ 1 1
243 1 2 1 1 22 HIS HE1 . 22 . HE1 1 1
244 1 1 1 1 4 CYS H . 4 . HN 1 1
244 1 2 1 1 19 LEU QD . 19 . HD21 1 1
245 1 1 1 1 6 TRP HD1 . 6 . HD1 1 1
245 1 2 1 1 9 CYS QB . 9 . HB2 1 1
246 1 1 1 1 6 TRP HD1 . 6 . HD1 1 1
246 1 2 1 1 26 HIS HE1 . 26 . HE1 1 1
247 1 1 1 1 22 HIS HB2 . 22 . HB1 1 1
247 1 2 1 1 23 LYS H . 23 . HN 1 1
248 1 1 1 1 9 CYS HA . 9 . HA 1 1
248 1 2 1 1 10 GLY H . 10 . HN 1 1
249 1 1 1 1 5 THR HA . 5 . HA 1 1
249 1 2 1 1 10 GLY H . 10 . HN 1 1
250 1 1 1 1 6 TRP H . 6 . HN 1 1
250 1 2 1 1 7 ABA H . 7 . HN 1 1
251 1 1 1 1 14 THR HA . 14 . HA 1 1
251 1 2 1 1 15 ARG H . 15 . HN 1 1
252 1 1 1 1 25 THR MG . 25 . HG21 1 1
252 1 2 1 1 26 HIS H . 26 . HN 1 1
253 1 1 1 1 6 TRP HB3 . 6 . HB1 1 1
253 1 2 1 1 26 HIS HE1 . 26 . HE1 1 1
254 1 1 1 1 23 LYS QB . 23 . HB1 1 1
254 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
255 1 1 1 1 6 TRP HA . 6 . HA 1 1
255 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1
256 1 1 1 1 22 HIS HA . 22 . HA 1 1
256 1 2 1 1 23 LYS H . 23 . HN 1 1
257 1 1 1 1 2 PHE QD . 2 . HD1 1 1
257 1 2 1 1 16 SER HB2 . 16 . HB1 1 1
258 1 1 1 1 11 LYS QD . 11 . HD1 1 1
258 1 2 1 1 11 LYS QE . 11 . HE1 1 1
259 1 1 1 1 14 THR HA . 14 . HA 1 1
259 1 2 1 1 15 ARG HA . 15 . HA 1 1
260 1 1 1 1 22 HIS HD2 . 22 . HD2 1 1
260 1 2 1 1 23 LYS QG . 23 . HG1 1 1
261 1 1 1 1 22 HIS HD2 . 22 . HD2 1 1
261 1 2 1 1 23 LYS H . 23 . HN 1 1
262 1 1 1 1 13 PHE HB2 . 13 . HB1 1 1
262 1 2 1 1 15 ARG H . 15 . HN 1 1
263 1 1 1 1 20 GLN HE21 . 20 . HE22 1 1
263 1 2 1 1 20 GLN QG . 20 . HG1 1 1
264 1 1 1 1 6 TRP HB2 . 6 . HB2 1 1
264 1 2 1 1 9 CYS QB . 9 . HB2 1 1
265 1 1 1 1 2 PHE QE . 2 . HE1 1 1
265 1 2 1 1 14 THR HA . 14 . HA 1 1
266 1 1 1 1 2 PHE QD . 2 . HD1 1 1
266 1 2 1 1 16 SER H . 16 . HN 1 1
267 1 1 1 1 4 CYS H . 4 . HN 1 1
267 1 2 1 1 11 LYS H . 11 . HN 1 1
268 1 1 1 1 11 LYS QE . 11 . HE1 1 1
268 1 2 1 1 22 HIS HE1 . 22 . HE1 1 1
269 1 1 1 1 2 PHE QE . 2 . HE1 1 1
269 1 2 1 1 16 SER HB3 . 16 . HB2 1 1
270 1 1 1 1 4 CYS H . 4 . HN 1 1
270 1 2 1 1 13 PHE QD . 13 . HD1 1 1
271 1 1 1 1 14 THR H . 14 . HN 1 1
271 1 2 1 1 15 ARG H . 15 . HN 1 1
272 1 1 1 1 30 LYS H . 30 . HN 1 1
272 1 2 1 1 30 LYS HB2 . 30 . HB1 1 1
273 1 1 1 1 16 SER HA . 16 . HA 1 1
273 1 2 1 1 20 GLN H . 20 . HN 1 1
274 1 1 1 1 6 TRP HE1 . 6 . HE1 1 1
274 1 2 1 1 26 HIS HB3 . 26 . HB1 1 1
275 1 1 1 1 15 ARG HA . 15 . HA 1 1
275 1 2 1 1 15 ARG HD2 . 15 . HD1 1 1
276 1 1 1 1 4 CYS H . 4 . HN 1 1
276 1 2 1 1 13 PHE QE . 13 . HE1 1 1
277 1 1 1 1 19 LEU H . 19 . HN 1 1
277 1 2 1 1 19 LEU QD . 19 . HD11 1 1
278 1 1 1 1 4 CYS HA . 4 . HA 1 1
278 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1
279 1 1 1 1 19 LEU QD . 19 . HD11 1 1
279 1 2 1 1 20 GLN QG . 20 . HG1 1 1
280 1 1 1 1 6 TRP HE3 . 6 . HE3 1 1
280 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
281 1 1 1 1 22 HIS HA . 22 . HA 1 1
281 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1
282 1 1 1 1 26 HIS HA . 26 . HA 1 1
282 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
283 1 1 1 1 23 LYS H . 23 . HN 1 1
283 1 2 1 1 23 LYS QG . 23 . HG1 1 1
284 1 1 1 1 23 LYS HA . 23 . HA 1 1
284 1 2 1 1 25 THR H . 25 . HN 1 1
285 1 1 1 1 13 PHE QD . 13 . HD1 1 1
285 1 2 1 1 14 THR MG . 14 . HG21 1 1
286 1 1 1 1 19 LEU QD . 19 . HD21 1 1
286 1 2 1 1 23 LYS H . 23 . HN 1 1
287 1 1 1 1 15 ARG HA . 15 . HA 1 1
287 1 2 1 1 16 SER HA . 16 . HA 1 1
288 1 1 1 1 6 TRP HB3 . 6 . HB1 1 1
288 1 2 1 1 9 CYS H . 9 . HN 1 1
289 1 1 1 1 6 TRP HB2 . 6 . HB2 1 1
289 1 2 1 1 7 ABA H . 7 . HN 1 1
290 1 1 1 1 14 THR H . 14 . HN 1 1
290 1 2 1 1 14 THR HB . 14 . HB 1 1
291 1 1 1 1 6 TRP H . 6 . HN 1 1
291 1 2 1 1 6 TRP HE3 . 6 . HE3 1 1
292 1 1 1 1 20 GLN H . 20 . HN 1 1
292 1 2 1 1 23 LYS H . 23 . HN 1 1
293 1 1 1 1 13 PHE HZ . 13 . HZ 1 1
293 1 2 1 1 22 HIS HB3 . 22 . HB2 1 1
294 1 1 1 1 6 TRP HD1 . 6 . HD1 1 1
294 1 2 1 1 7 ABA H . 7 . HN 1 1
295 1 1 1 1 6 TRP HB2 . 6 . HB2 1 1
295 1 2 1 1 26 HIS HE1 . 26 . HE1 1 1
296 1 1 1 1 25 THR MG . 25 . HG21 1 1
296 1 2 1 1 26 HIS HD2 . 26 . HD2 1 1
297 1 1 1 1 19 LEU QD . 19 . HD11 1 1
297 1 2 1 1 20 GLN HE21 . 20 . HE22 1 1
298 1 1 1 1 6 TRP H . 6 . HN 1 1
298 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1
299 1 1 1 1 22 HIS H . 22 . HN 1 1
299 1 2 1 1 22 HIS HD2 . 22 . HD2 1 1
300 1 1 1 1 22 HIS HA . 22 . HA 1 1
300 1 2 1 1 25 THR H . 25 . HN 1 1
301 1 1 1 1 5 THR MG . 5 . HG21 1 1
301 1 2 1 1 6 TRP H . 6 . HN 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.274 1.627 2.921 1 1
2 1 . . . . . 2.429 1.692 3.166 1 1
3 1 . . . . . 2.462 1.704 3.22 1 1
4 1 . . . . . 2.5 1.719 3.281 1 1
5 2 . . . . . 2.514 1.724 3.304 1 1
5 3 . . . . . 2.514 1.724 3.304 1 1
6 2 . . . . . 2.559 1.741 3.377 1 1
6 3 . . . . . 2.559 1.741 3.377 1 1
7 2 . . . . . 2.594 1.753 3.435 1 1
7 3 . . . . . 2.594 1.753 3.435 1 1
7 4 . . . . . 2.594 1.753 3.435 1 1
8 2 . . . . . 2.664 1.777 3.551 1 1
8 3 . . . . . 2.664 1.777 3.551 1 1
9 1 . . . . . 2.685 1.784 3.586 1 1
10 1 . . . . . 2.702 1.789 3.615 1 1
11 1 . . . . . 2.711 1.792 3.63 1 1
12 2 . . . . . 3.11 1.901 4.319 1 1
12 3 . . . . . 3.11 1.901 4.319 1 1
13 1 . . . . . 3.151 1.91 4.392 1 1
14 1 . . . . . 3.156 1.911 4.401 1 1
15 1 . . . . . 3.162 1.912 4.412 1 1
16 1 . . . . . 3.165 1.913 4.417 1 1
17 1 . . . . . 3.199 1.92 4.478 1 1
18 1 . . . . . 3.21 1.922 4.498 1 1
19 1 . . . . . 3.326 1.943 4.709 1 1
20 1 . . . . . 3.353 1.948 4.758 1 1
21 1 . . . . . 3.466 1.964 4.968 1 1
22 1 . . . . . 3.53 1.973 5.087 1 1
23 1 . . . . . . 1.773 2.12 1 1
24 1 . . . . . 1.988 1.494 2.482 1 1
25 1 . . . . . 2.043 1.521 2.565 1 1
26 1 . . . . . 2.136 1.847 2.706 1 1
27 1 . . . . . 2.137 1.566 2.708 1 1
28 1 . . . . . 2.144 1.57 2.718 1 1
29 1 . . . . . 2.155 1.574 2.736 1 1
30 1 . . . . . 2.158 1.576 2.74 1 1
31 1 . . . . . 2.175 1.584 2.766 1 1
32 1 . . . . . 2.183 1.587 2.779 1 1
33 1 . . . . . 2.187 1.589 2.785 1 1
34 1 . . . . . 2.193 1.592 2.794 1 1
35 1 . . . . . 2.202 1.604 2.808 1 1
36 1 . . . . . 2.206 1.787 2.814 1 1
37 1 . . . . . 2.208 1.599 2.817 1 1
38 1 . . . . . 2.22 1.604 2.836 1 1
39 1 . . . . . 2.225 1.606 2.844 1 1
40 1 . . . . . 2.237 1.611 2.863 1 1
41 1 . . . . . 2.246 1.615 2.877 1 1
42 1 . . . . . 2.251 1.618 2.884 1 1
43 1 . . . . . 2.275 1.628 2.922 1 1
44 1 . . . . . 2.289 1.634 2.944 1 1
45 1 . . . . . 2.298 1.638 2.958 1 1
46 1 . . . . . 2.303 1.741 2.966 1 1
47 1 . . . . . 2.31 1.643 2.977 1 1
48 1 . . . . . 2.32 1.647 2.993 1 1
49 1 . . . . . 2.322 1.648 2.996 1 1
50 1 . . . . . 2.323 1.648 2.998 1 1
51 1 . . . . . 2.325 1.649 3.001 1 1
52 1 . . . . . 2.332 1.652 3.012 1 1
53 1 . . . . . 2.332 1.652 3.012 1 1
54 1 . . . . . 2.339 1.655 3.023 1 1
55 1 . . . . . 2.357 1.663 3.051 1 1
56 1 . . . . . 2.361 1.664 3.058 1 1
57 1 . . . . . 2.385 1.674 3.096 1 1
58 1 . . . . . 2.387 1.675 3.099 1 1
59 1 . . . . . 2.402 1.681 3.123 1 1
60 1 . . . . . 2.407 1.69 3.131 1 1
61 1 . . . . . 2.41 1.801 3.136 1 1
62 1 . . . . . 2.411 1.684 3.138 1 1
63 1 . . . . . 2.417 1.687 3.147 1 1
64 1 . . . . . 2.421 1.689 3.153 1 1
65 1 . . . . . 2.437 1.695 3.179 1 1
66 1 . . . . . 2.439 1.696 3.182 1 1
67 1 . . . . . 2.444 1.697 3.191 1 1
68 1 . . . . . 2.447 1.698 3.196 1 1
69 1 . . . . . 2.45 1.7 3.2 1 1
70 1 . . . . . 2.45 1.7 3.2 1 1
71 1 . . . . . 2.454 1.701 3.207 1 1
72 1 . . . . . 2.454 1.701 3.207 1 1
73 1 . . . . . 2.463 1.704 3.222 1 1
74 1 . . . . . 2.465 1.705 3.225 1 1
75 1 . . . . . 2.467 1.9 3.227 1 1
76 1 . . . . . 2.471 1.708 3.234 1 1
77 1 . . . . . 2.473 1.709 3.237 1 1
78 1 . . . . . 2.473 1.895 3.237 1 1
79 1 . . . . . 2.476 1.71 3.242 1 1
80 1 . . . . . 2.481 1.712 3.25 1 1
81 1 . . . . . 2.484 1.713 3.255 1 1
82 1 . . . . . 2.489 1.715 3.263 1 1
83 1 . . . . . 2.492 1.716 3.268 1 1
84 1 . . . . . 2.495 1.717 3.273 1 1
85 1 . . . . . 2.497 1.718 3.276 1 1
86 1 . . . . . 2.499 1.953 3.279 1 1
87 1 . . . . . 2.499 1.719 3.279 1 1
88 1 . . . . . 2.502 1.72 3.284 1 1
89 1 . . . . . 2.502 1.72 3.284 1 1
90 1 . . . . . 2.516 1.725 3.307 1 1
91 1 . . . . . 2.525 1.728 3.322 1 1
92 1 . . . . . 2.528 1.729 3.327 1 1
93 1 . . . . . 2.528 1.729 3.327 1 1
94 1 . . . . . 2.532 1.731 3.333 1 1
95 1 . . . . . 2.539 1.733 3.345 1 1
96 1 . . . . . 2.541 1.734 3.348 1 1
97 1 . . . . . 2.547 1.736 3.358 1 1
98 1 . . . . . 2.549 1.737 3.361 1 1
99 1 . . . . . 2.549 1.737 3.361 1 1
100 1 . . . . . 2.553 1.738 3.368 1 1
101 1 . . . . . 2.555 1.739 3.371 1 1
102 1 . . . . . 2.559 1.741 3.377 1 1
103 1 . . . . . 2.561 1.741 3.381 1 1
104 1 . . . . . 2.575 1.746 3.404 1 1
105 1 . . . . . 2.577 1.747 3.407 1 1
106 1 . . . . . 2.581 1.748 3.414 1 1
107 1 . . . . . 2.583 1.817 3.417 1 1
108 1 . . . . . 2.586 1.75 3.422 1 1
109 1 . . . . . 2.594 1.753 3.435 1 1
110 1 . . . . . 2.596 1.753 3.439 1 1
111 1 . . . . . 2.599 1.755 3.443 1 1
112 1 . . . . . 2.601 1.755 3.447 1 1
113 1 . . . . . 2.605 1.757 3.453 1 1
114 1 . . . . . 2.608 1.758 3.458 1 1
115 1 . . . . . 2.608 1.758 3.458 1 1
116 1 . . . . . 2.61 1.759 3.461 1 1
117 1 . . . . . 2.61 1.759 3.461 1 1
118 1 . . . . . 2.614 1.76 3.468 1 1
119 1 . . . . . 2.617 1.761 3.473 1 1
120 1 . . . . . 2.624 1.764 3.484 1 1
121 1 . . . . . 2.628 1.764 3.492 1 1
122 1 . . . . . 2.631 1.766 3.496 1 1
123 1 . . . . . 2.633 1.766 3.5 1 1
124 1 . . . . . 2.638 1.768 3.508 1 1
125 1 . . . . . 2.641 1.769 3.513 1 1
126 1 . . . . . 2.643 1.77 3.516 1 1
127 1 . . . . . 2.653 1.773 3.533 1 1
128 1 . . . . . 2.656 1.774 3.538 1 1
129 1 . . . . . 2.658 1.775 3.541 1 1
130 1 . . . . . 2.664 1.777 3.551 1 1
131 1 . . . . . 2.666 1.777 3.555 1 1
132 1 . . . . . 2.669 1.779 3.559 1 1
133 1 . . . . . 2.674 1.78 3.568 1 1
134 1 . . . . . 2.674 1.78 3.568 1 1
135 1 . . . . . 2.68 1.782 3.578 1 1
136 1 . . . . . 2.688 1.838 3.591 1 1
137 1 . . . . . 2.688 1.785 3.591 1 1
138 1 . . . . . 2.691 1.786 3.596 1 1
139 1 . . . . . 2.696 1.787 3.605 1 1
140 1 . . . . . 2.705 1.79 3.62 1 1
141 1 . . . . . 2.708 1.791 3.625 1 1
142 1 . . . . . 2.708 1.791 3.625 1 1
143 1 . . . . . 2.711 1.792 3.63 1 1
144 1 . . . . . 2.723 1.796 3.65 1 1
145 1 . . . . . 2.723 1.796 3.65 1 1
146 1 . . . . . 2.739 1.801 3.677 1 1
147 1 . . . . . 2.742 1.802 3.682 1 1
148 1 . . . . . 2.742 1.802 3.682 1 1
149 1 . . . . . 2.762 1.809 3.715 1 1
150 1 . . . . . 2.762 1.809 3.715 1 1
151 1 . . . . . 2.765 1.809 3.721 1 1
152 1 . . . . . 2.769 1.811 3.727 1 1
153 1 . . . . . 2.772 1.811 3.733 1 1
154 1 . . . . . 2.776 1.813 3.739 1 1
155 1 . . . . . 2.776 1.813 3.739 1 1
156 1 . . . . . 2.783 1.815 3.751 1 1
157 1 . . . . . 2.793 1.907 3.768 1 1
158 1 . . . . . 2.797 1.819 3.775 1 1
159 1 . . . . . 2.805 1.822 3.788 1 1
160 1 . . . . . 2.808 1.822 3.794 1 1
161 1 . . . . . 2.808 1.822 3.794 1 1
162 1 . . . . . 2.808 1.822 3.794 1 1
163 1 . . . . . 2.812 1.823 3.801 1 1
164 1 . . . . . 2.816 1.825 3.807 1 1
165 1 . . . . . 2.816 1.825 3.807 1 1
166 1 . . . . . 2.82 1.826 3.814 1 1
167 1 . . . . . 2.824 1.827 3.821 1 1
168 1 . . . . . 2.824 1.827 3.821 1 1
169 1 . . . . . 2.824 1.827 3.821 1 1
170 1 . . . . . 2.828 1.828 3.828 1 1
171 1 . . . . . 2.832 1.83 3.834 1 1
172 1 . . . . . 2.84 1.9 3.848 1 1
173 1 . . . . . 2.84 1.832 3.848 1 1
174 1 . . . . . 2.844 1.833 3.855 1 1
175 1 . . . . . 2.861 1.838 3.884 1 1
176 1 . . . . . 2.861 1.838 3.884 1 1
177 1 . . . . . 2.87 1.84 3.9 1 1
178 1 . . . . . 2.874 1.841 3.907 1 1
179 1 . . . . . 2.874 1.841 3.907 1 1
180 1 . . . . . 2.879 1.843 3.915 1 1
181 1 . . . . . 2.888 1.845 3.931 1 1
182 1 . . . . . 2.893 1.847 3.939 1 1
183 1 . . . . . 2.893 1.918 3.939 1 1
184 1 . . . . . 2.893 1.847 3.939 1 1
185 1 . . . . . 2.897 1.848 3.946 1 1
186 1 . . . . . 2.897 1.848 3.946 1 1
187 1 . . . . . 2.902 1.849 3.955 1 1
188 1 . . . . . 2.902 1.849 3.955 1 1
189 1 . . . . . 2.909 1.851 3.967 1 1
190 1 . . . . . 2.909 1.851 3.967 1 1
191 1 . . . . . 2.911 1.852 3.97 1 1
192 1 . . . . . 2.912 1.852 3.972 1 1
193 1 . . . . . 2.914 1.853 3.975 1 1
194 1 . . . . . 2.916 1.853 3.979 1 1
195 1 . . . . . 2.92 1.854 3.986 1 1
196 1 . . . . . 2.924 1.855 3.993 1 1
197 1 . . . . . 2.932 1.857 4.007 1 1
198 1 . . . . . 2.937 1.859 4.015 1 1
199 1 . . . . . 2.94 1.859 4.021 1 1
200 1 . . . . . 2.941 1.86 4.022 1 1
201 1 . . . . . 2.946 1.861 4.031 1 1
202 1 . . . . . 2.946 1.861 4.031 1 1
203 1 . . . . . 2.948 1.862 4.034 1 1
204 1 . . . . . 2.949 1.862 4.036 1 1
205 1 . . . . . 2.949 1.862 4.036 1 1
206 1 . . . . . 2.951 1.973 4.039 1 1
207 1 . . . . . 2.951 1.862 4.04 1 1
208 1 . . . . . 2.954 1.864 4.044 1 1
209 1 . . . . . 2.954 1.916 4.044 1 1
210 1 . . . . . 2.961 1.865 4.057 1 1
211 1 . . . . . 2.962 1.865 4.059 1 1
212 1 . . . . . 2.966 1.866 4.066 1 1
213 1 . . . . . 2.976 1.869 4.083 1 1
214 1 . . . . . 2.986 1.872 4.1 1 1
215 1 . . . . . 2.993 1.873 4.113 1 1
216 1 . . . . . 2.998 1.874 4.122 1 1
217 1 . . . . . 3.012 1.878 4.146 1 1
218 1 . . . . . 3.013 1.878 4.148 1 1
219 1 . . . . . 3.017 1.88 4.154 1 1
220 1 . . . . . 3.018 1.879 4.157 1 1
221 1 . . . . . 3.029 1.882 4.176 1 1
222 1 . . . . . 3.04 1.885 4.195 1 1
223 1 . . . . . 3.042 1.885 4.199 1 1
224 1 . . . . . 3.061 1.89 4.232 1 1
225 1 . . . . . 3.065 1.891 4.239 1 1
226 1 . . . . . 3.066 1.891 4.241 1 1
227 1 . . . . . 3.069 1.892 4.246 1 1
228 1 . . . . . 3.086 1.896 4.276 1 1
229 1 . . . . . 3.088 1.896 4.28 1 1
230 1 . . . . . 3.092 1.897 4.287 1 1
231 1 . . . . . 3.094 1.897 4.291 1 1
232 1 . . . . . 3.096 1.898 4.294 1 1
233 1 . . . . . 3.101 1.899 4.303 1 1
234 1 . . . . . 3.108 1.9 4.316 1 1
235 1 . . . . . 3.131 1.906 4.356 1 1
236 1 . . . . . 3.133 1.906 4.36 1 1
237 1 . . . . . 3.142 1.908 4.376 1 1
238 1 . . . . . 3.146 1.909 4.383 1 1
239 1 . . . . . 3.149 1.91 4.388 1 1
240 1 . . . . . 3.157 1.911 4.403 1 1
241 1 . . . . . 3.161 1.912 4.41 1 1
242 1 . . . . . 3.164 1.913 4.415 1 1
243 1 . . . . . 3.174 1.915 4.433 1 1
244 1 . . . . . 3.178 1.916 4.44 1 1
245 1 . . . . . 3.178 1.968 4.44 1 1
246 1 . . . . . 3.179 1.916 4.442 1 1
247 1 . . . . . 3.181 1.916 4.446 1 1
248 1 . . . . . 3.189 1.918 4.46 1 1
249 1 . . . . . 3.193 1.918 4.468 1 1
250 1 . . . . . 3.199 1.92 4.478 1 1
251 1 . . . . . 3.2 1.92 4.48 1 1
252 1 . . . . . 3.206 1.921 4.491 1 1
253 1 . . . . . 3.21 1.922 4.498 1 1
254 1 . . . . . 3.212 1.923 4.501 1 1
255 1 . . . . . 3.214 1.922 4.506 1 1
256 1 . . . . . 3.219 1.923 4.515 1 1
257 1 . . . . . 3.222 1.924 4.52 1 1
258 1 . . . . . 3.224 1.924 4.524 1 1
259 1 . . . . . 3.225 1.925 4.525 1 1
260 1 . . . . . 3.24 1.928 4.552 1 1
261 1 . . . . . 3.256 1.93 4.582 1 1
262 1 . . . . . 3.264 1.932 4.596 1 1
263 1 . . . . . 3.266 1.932 4.6 1 1
264 1 . . . . . 3.286 1.936 4.636 1 1
265 1 . . . . . 3.291 1.937 4.645 1 1
266 1 . . . . . 3.299 1.938 4.66 1 1
267 1 . . . . . 3.304 1.94 4.668 1 1
268 1 . . . . . 3.305 1.94 4.67 1 1
269 1 . . . . . 3.321 1.943 4.699 1 1
270 1 . . . . . 3.328 1.943 4.713 1 1
271 1 . . . . . 3.332 1.944 4.72 1 1
272 1 . . . . . 3.345 1.947 4.743 1 1
273 1 . . . . . 3.351 1.947 4.755 1 1
274 1 . . . . . 3.351 1.947 4.755 1 1
275 1 . . . . . 3.391 1.954 4.828 1 1
276 1 . . . . . 3.397 1.955 4.839 1 1
277 1 . . . . . 3.399 1.977 4.844 1 1
278 1 . . . . . 3.42 1.958 4.882 1 1
279 1 . . . . . 3.425 1.959 4.891 1 1
280 1 . . . . . 3.425 1.959 4.891 1 1
281 1 . . . . . 3.436 1.961 4.911 1 1
282 1 . . . . . 3.439 1.961 4.917 1 1
283 1 . . . . . 3.451 1.962 4.94 1 1
284 1 . . . . . 3.456 1.963 4.949 1 1
285 1 . . . . . 3.481 1.966 4.996 1 1
286 1 . . . . . 3.497 1.968 5.026 1 1
287 1 . . . . . 3.504 1.969 5.039 1 1
288 1 . . . . . 3.511 1.97 5.052 1 1
289 1 . . . . . 3.534 1.973 5.095 1 1
290 1 . . . . . 3.563 1.976 5.15 1 1
291 1 . . . . . 3.563 1.976 5.15 1 1
292 1 . . . . . 3.571 1.977 5.165 1 1
293 1 . . . . . 3.586 1.979 5.193 1 1
294 1 . . . . . 3.607 1.981 5.233 1 1
295 1 . . . . . 3.616 1.982 5.25 1 1
296 1 . . . . . 3.627 1.982 5.272 1 1
297 1 . . . . . 3.641 1.984 5.298 1 1
298 1 . . . . . 3.675 1.987 5.363 1 1
299 1 . . . . . 3.706 1.989 5.423 1 1
300 1 . . . . . 3.774 1.994 5.554 1 1
301 1 . . . . . 3.891 1.999 5.783 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
19 1 . . . 1 2
20 1 . . . 1 2
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 PHE H . 2 . HN 1 2
1 1 2 1 1 13 PHE O . 13 . O 1 2
2 1 1 1 1 2 PHE N . 2 . N 1 2
2 1 2 1 1 13 PHE O . 13 . O 1 2
3 1 1 1 1 2 PHE O . 2 . O 1 2
3 1 2 1 1 13 PHE H . 13 . HN 1 2
4 1 1 1 1 2 PHE O . 2 . O 1 2
4 1 2 1 1 13 PHE N . 13 . N 1 2
5 1 1 1 1 4 CYS H . 4 . HN 1 2
5 1 2 1 1 11 LYS O . 11 . O 1 2
6 1 1 1 1 4 CYS N . 4 . N 1 2
6 1 2 1 1 11 LYS O . 11 . O 1 2
7 1 1 1 1 6 TRP O . 6 . O 1 2
7 1 2 1 1 9 CYS H . 9 . HN 1 2
8 1 1 1 1 6 TRP O . 6 . O 1 2
8 1 2 1 1 9 CYS N . 9 . N 1 2
9 1 1 1 1 15 ARG O . 15 . O 1 2
9 1 2 1 1 19 LEU H . 19 . HN 1 2
10 1 1 1 1 15 ARG O . 15 . O 1 2
10 1 2 1 1 19 LEU N . 19 . N 1 2
11 1 1 1 1 16 SER O . 16 . O 1 2
11 1 2 1 1 20 GLN H . 20 . HN 1 2
12 1 1 1 1 16 SER O . 16 . O 1 2
12 1 2 1 1 20 GLN N . 20 . N 1 2
13 1 1 1 1 18 GLU O . 18 . O 1 2
13 1 2 1 1 22 HIS H . 22 . HN 1 2
14 1 1 1 1 18 GLU O . 18 . O 1 2
14 1 2 1 1 22 HIS N . 22 . N 1 2
15 1 1 1 1 19 LEU O . 19 . O 1 2
15 1 2 1 1 23 LYS H . 23 . HN 1 2
16 1 1 1 1 19 LEU O . 19 . O 1 2
16 1 2 1 1 23 LYS N . 23 . N 1 2
17 1 1 1 1 22 HIS O . 22 . O 1 2
17 1 2 1 1 25 THR H . 25 . HN 1 2
18 1 1 1 1 22 HIS O . 22 . O 1 2
18 1 2 1 1 25 THR N . 25 . N 1 2
19 1 1 1 1 23 LYS O . 23 . O 1 2
19 1 2 1 1 26 HIS H . 26 . HN 1 2
20 1 1 1 1 23 LYS O . 23 . O 1 2
20 1 2 1 1 26 HIS N . 26 . N 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 1.9 1.8 2.0 1 2
2 1 . . . . . 2.9 2.7 3.1 1 2
3 1 . . . . . 1.9 1.8 2.0 1 2
4 1 . . . . . 2.9 2.7 3.1 1 2
5 1 . . . . . 1.9 1.8 2.0 1 2
6 1 . . . . . 2.9 2.7 3.1 1 2
7 1 . . . . . 1.9 1.8 2.0 1 2
8 1 . . . . . 2.9 2.7 3.1 1 2
9 1 . . . . . 1.9 1.8 2.0 1 2
10 1 . . . . . 2.9 2.7 3.1 1 2
11 1 . . . . . 1.9 1.8 2.0 1 2
12 1 . . . . . 2.9 2.7 3.1 1 2
13 1 . . . . . 1.9 1.8 2.0 1 2
14 1 . . . . . 2.9 2.7 3.1 1 2
15 1 . . . . . 1.9 1.8 2.0 1 2
16 1 . . . . . 2.9 2.7 3.1 1 2
17 1 . . . . . 1.9 1.8 2.0 1 2
18 1 . . . . . 2.9 2.7 3.1 1 2
19 1 . . . . . 1.9 1.8 2.0 1 2
20 1 . . . . . 2.9 2.7 3.1 1 2
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 5 THR C 1 1 6 TRP N 1 1 6 TRP CA 1 1 6 TRP C -89.99999 -40.0 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1
2 . 1 1 14 THR C 1 1 15 ARG N 1 1 15 ARG CA 1 1 15 ARG C -160.0 -80.0 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1
3 . 1 1 19 LEU C 1 1 20 GLN N 1 1 20 GLN CA 1 1 20 GLN C -89.99999 -40.0 . 19 . C . 20 . N . 20 . CA . 20 . C 1 1
4 . 1 1 22 HIS C 1 1 23 LYS N 1 1 23 LYS CA 1 1 23 LYS C -89.99999 -40.0 . 22 . C . 23 . N . 23 . CA . 23 . C 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 PRO C C -8.953 0.347 3.821 1.00 . A A . 1 PRO C 1 1
1 2 1 1 1 PRO CA C -10.332 0.118 3.223 1.00 . A A . 1 PRO CA 1 1
1 3 1 1 1 PRO CB C -10.490 0.917 1.941 1.00 . A A . 1 PRO CB 1 1
1 4 1 1 1 PRO CD C -12.143 1.617 3.528 1.00 . A A . 1 PRO CD 1 1
1 5 1 1 1 PRO CG C -11.866 1.467 2.051 1.00 . A A . 1 PRO CG 1 1
1 6 1 1 1 PRO H2 H -10.882 0.759 5.054 1.00 . A A . 1 PRO H2 1 1
1 7 1 1 1 PRO H3 H -11.881 -0.364 4.418 1.00 . A A . 1 PRO H3 1 1
1 8 1 1 1 PRO HA H -10.451 -0.933 3.009 1.00 . A A . 1 PRO HA 1 1
1 9 1 1 1 PRO HB2 H -9.744 1.699 1.901 1.00 . A A . 1 PRO HB2 1 1
1 10 1 1 1 PRO HB3 H -10.392 0.266 1.085 1.00 . A A . 1 PRO HB3 1 1
1 11 1 1 1 PRO HD2 H -11.795 2.579 3.877 1.00 . A A . 1 PRO HD2 1 1
1 12 1 1 1 PRO HD3 H -13.199 1.510 3.721 1.00 . A A . 1 PRO HD3 1 1
1 13 1 1 1 PRO HG2 H -11.920 2.428 1.560 1.00 . A A . 1 PRO HG2 1 1
1 14 1 1 1 PRO HG3 H -12.569 0.780 1.608 1.00 . A A . 1 PRO HG3 1 1
1 15 1 1 1 PRO N N -11.385 0.526 4.178 1.00 . A A . 1 PRO N 1 1
1 16 1 1 1 PRO O O -8.824 0.847 4.938 1.00 . A A . 1 PRO O 1 1
1 17 1 1 2 PHE C C -5.880 1.209 2.695 1.00 . A A . 2 PHE C 1 1
1 18 1 1 2 PHE CA C -6.557 0.128 3.526 1.00 . A A . 2 PHE CA 1 1
1 19 1 1 2 PHE CB C -5.792 -1.189 3.391 1.00 . A A . 2 PHE CB 1 1
1 20 1 1 2 PHE CD1 C -7.291 -3.200 3.319 1.00 . A A . 2 PHE CD1 1 1
1 21 1 1 2 PHE CD2 C -6.306 -2.591 5.404 1.00 . A A . 2 PHE CD2 1 1
1 22 1 1 2 PHE CE1 C -7.922 -4.268 3.924 1.00 . A A . 2 PHE CE1 1 1
1 23 1 1 2 PHE CE2 C -6.935 -3.658 6.014 1.00 . A A . 2 PHE CE2 1 1
1 24 1 1 2 PHE CG C -6.476 -2.351 4.052 1.00 . A A . 2 PHE CG 1 1
1 25 1 1 2 PHE CZ C -7.745 -4.497 5.274 1.00 . A A . 2 PHE CZ 1 1
1 26 1 1 2 PHE H H -8.093 -0.422 2.192 1.00 . A A . 2 PHE H 1 1
1 27 1 1 2 PHE HA H -6.574 0.428 4.561 1.00 . A A . 2 PHE HA 1 1
1 28 1 1 2 PHE HB2 H -5.673 -1.423 2.344 1.00 . A A . 2 PHE HB2 1 1
1 29 1 1 2 PHE HB3 H -4.818 -1.076 3.844 1.00 . A A . 2 PHE HB3 1 1
1 30 1 1 2 PHE HD1 H -7.430 -3.021 2.262 1.00 . A A . 2 PHE HD1 1 1
1 31 1 1 2 PHE HD2 H -5.674 -1.934 5.982 1.00 . A A . 2 PHE HD2 1 1
1 32 1 1 2 PHE HE1 H -8.552 -4.923 3.342 1.00 . A A . 2 PHE HE1 1 1
1 33 1 1 2 PHE HE2 H -6.795 -3.837 7.070 1.00 . A A . 2 PHE HE2 1 1
1 34 1 1 2 PHE HZ H -8.237 -5.331 5.748 1.00 . A A . 2 PHE HZ 1 1
1 35 1 1 2 PHE N N -7.926 -0.033 3.079 1.00 . A A . 2 PHE N 1 1
1 36 1 1 2 PHE O O -5.760 1.069 1.479 1.00 . A A . 2 PHE O 1 1
1 37 1 1 3 . C C -3.383 3.611 2.770 1.00 . A A . 3 9KK C 1 1
1 38 1 1 3 . CA C -4.879 3.424 2.556 1.00 . A A . 3 9KK CA 1 1
1 39 1 1 3 . CB C -5.660 4.644 3.055 1.00 . A A . 3 9KK CB 1 1
1 40 1 1 3 . CD C -6.180 7.085 2.785 1.00 . A A . 3 9KK CD 1 1
1 41 1 1 3 . CE C -5.763 8.363 2.094 1.00 . A A . 3 9KK CE 1 1
1 42 1 1 3 . CG C -5.283 5.938 2.354 1.00 . A A . 3 9KK CG 1 1
1 43 1 1 3 . CM C -5.486 2.372 4.799 1.00 . A A . 3 9KK CM 1 1
1 44 1 1 3 . HA H -5.064 3.296 1.499 1.00 . A A . 3 9KK HA 1 1
1 45 1 1 3 . HB2 H -5.476 4.768 4.111 1.00 . A A . 3 9KK HB2 1 1
1 46 1 1 3 . HB3 H -6.714 4.468 2.901 1.00 . A A . 3 9KK HB3 1 1
1 47 1 1 3 . HD2 H -6.100 7.224 3.853 1.00 . A A . 3 9KK HD2 1 1
1 48 1 1 3 . HD3 H -7.203 6.863 2.516 1.00 . A A . 3 9KK HD3 1 1
1 49 1 1 3 . HE1 H -4.745 8.601 2.363 1.00 . A A . 3 9KK HE1 1 1
1 50 1 1 3 . HE2 H -6.415 9.168 2.399 1.00 . A A . 3 9KK HE2 1 1
1 51 1 1 3 . HE3 H -5.831 8.231 1.025 1.00 . A A . 3 9KK HE3 1 1
1 52 1 1 3 . HG2 H -5.375 5.798 1.286 1.00 . A A . 3 9KK HG2 1 1
1 53 1 1 3 . HG3 H -4.260 6.182 2.599 1.00 . A A . 3 9KK HG3 1 1
1 54 1 1 3 . HM1 H -4.876 3.194 5.140 1.00 . A A . 3 9KK HM1 1 1
1 55 1 1 3 . HM2 H -5.108 1.447 5.214 1.00 . A A . 3 9KK HM2 1 1
1 56 1 1 3 . HM3 H -6.505 2.525 5.119 1.00 . A A . 3 9KK HM3 1 1
1 57 1 1 3 . N N -5.436 2.303 3.322 1.00 . A A . 3 9KK N 1 1
1 58 1 1 3 . O O -2.879 3.557 3.896 1.00 . A A . 3 9KK O 1 1
1 59 1 1 4 CYS C C -1.000 5.498 2.215 1.00 . A A . 4 CYS C 1 1
1 60 1 1 4 CYS CA C -1.256 4.080 1.722 1.00 . A A . 4 CYS CA 1 1
1 61 1 1 4 CYS CB C -0.623 3.882 0.347 1.00 . A A . 4 CYS CB 1 1
1 62 1 1 4 CYS H H -3.134 3.806 0.805 1.00 . A A . 4 CYS H 1 1
1 63 1 1 4 CYS HA H -0.816 3.381 2.417 1.00 . A A . 4 CYS HA 1 1
1 64 1 1 4 CYS HB2 H -0.732 2.848 0.048 1.00 . A A . 4 CYS HB2 1 1
1 65 1 1 4 CYS HB3 H -1.121 4.515 -0.371 1.00 . A A . 4 CYS HB3 1 1
1 66 1 1 4 CYS N N -2.677 3.822 1.674 1.00 . A A . 4 CYS N 1 1
1 67 1 1 4 CYS O O -1.176 6.466 1.473 1.00 . A A . 4 CYS O 1 1
1 68 1 1 4 CYS SG S 1.132 4.285 0.318 1.00 . A A . 4 CYS SG 1 1
1 69 1 1 5 THR C C 1.126 7.315 3.941 1.00 . A A . 5 THR C 1 1
1 70 1 1 5 THR CA C -0.341 6.909 4.074 1.00 . A A . 5 THR CA 1 1
1 71 1 1 5 THR CB C -0.748 6.888 5.559 1.00 . A A . 5 THR CB 1 1
1 72 1 1 5 THR CG2 C -2.261 6.938 5.706 1.00 . A A . 5 THR CG2 1 1
1 73 1 1 5 THR H H -0.435 4.804 3.997 1.00 . A A . 5 THR H 1 1
1 74 1 1 5 THR HA H -0.956 7.638 3.563 1.00 . A A . 5 THR HA 1 1
1 75 1 1 5 THR HB H -0.323 7.753 6.050 1.00 . A A . 5 THR HB 1 1
1 76 1 1 5 THR HG1 H -0.977 5.089 6.353 1.00 . A A . 5 THR HG1 1 1
1 77 1 1 5 THR HG21 H -2.636 7.846 5.256 1.00 . A A . 5 THR HG21 1 1
1 78 1 1 5 THR HG22 H -2.522 6.919 6.753 1.00 . A A . 5 THR HG22 1 1
1 79 1 1 5 THR HG23 H -2.698 6.084 5.209 1.00 . A A . 5 THR HG23 1 1
1 80 1 1 5 THR N N -0.583 5.615 3.464 1.00 . A A . 5 THR N 1 1
1 81 1 1 5 THR O O 1.761 7.728 4.911 1.00 . A A . 5 THR O 1 1
1 82 1 1 5 THR OG1 O -0.245 5.698 6.185 1.00 . A A . 5 THR OG1 1 1
1 83 1 1 6 TRP C C 3.141 9.011 2.099 1.00 . A A . 6 TRP C 1 1
1 84 1 1 6 TRP CA C 3.046 7.535 2.471 1.00 . A A . 6 TRP CA 1 1
1 85 1 1 6 TRP CB C 3.606 6.658 1.348 1.00 . A A . 6 TRP CB 1 1
1 86 1 1 6 TRP CD1 C 5.682 7.715 0.284 1.00 . A A . 6 TRP CD1 1 1
1 87 1 1 6 TRP CD2 C 6.127 6.053 1.710 1.00 . A A . 6 TRP CD2 1 1
1 88 1 1 6 TRP CE2 C 7.343 6.540 1.198 1.00 . A A . 6 TRP CE2 1 1
1 89 1 1 6 TRP CE3 C 6.155 5.004 2.628 1.00 . A A . 6 TRP CE3 1 1
1 90 1 1 6 TRP CG C 5.078 6.820 1.115 1.00 . A A . 6 TRP CG 1 1
1 91 1 1 6 TRP CH2 C 8.569 4.980 2.476 1.00 . A A . 6 TRP CH2 1 1
1 92 1 1 6 TRP CZ2 C 8.575 6.009 1.576 1.00 . A A . 6 TRP CZ2 1 1
1 93 1 1 6 TRP CZ3 C 7.375 4.477 3.001 1.00 . A A . 6 TRP CZ3 1 1
1 94 1 1 6 TRP H H 1.109 6.841 2.004 1.00 . A A . 6 TRP H 1 1
1 95 1 1 6 TRP HA H 3.614 7.363 3.372 1.00 . A A . 6 TRP HA 1 1
1 96 1 1 6 TRP HB2 H 3.424 5.623 1.588 1.00 . A A . 6 TRP HB2 1 1
1 97 1 1 6 TRP HB3 H 3.098 6.899 0.429 1.00 . A A . 6 TRP HB3 1 1
1 98 1 1 6 TRP HD1 H 5.154 8.441 -0.312 1.00 . A A . 6 TRP HD1 1 1
1 99 1 1 6 TRP HE1 H 7.697 8.084 -0.178 1.00 . A A . 6 TRP HE1 1 1
1 100 1 1 6 TRP HE3 H 5.244 4.601 3.044 1.00 . A A . 6 TRP HE3 1 1
1 101 1 1 6 TRP HH2 H 9.499 4.535 2.796 1.00 . A A . 6 TRP HH2 1 1
1 102 1 1 6 TRP HZ2 H 9.506 6.386 1.180 1.00 . A A . 6 TRP HZ2 1 1
1 103 1 1 6 TRP HZ3 H 7.413 3.663 3.708 1.00 . A A . 6 TRP HZ3 1 1
1 104 1 1 6 TRP N N 1.662 7.180 2.736 1.00 . A A . 6 TRP N 1 1
1 105 1 1 6 TRP NE1 N 7.045 7.557 0.330 1.00 . A A . 6 TRP NE1 1 1
1 106 1 1 6 TRP O O 2.211 9.566 1.517 1.00 . A A . 6 TRP O 1 1
1 107 1 1 7 ABA C C 4.429 11.278 0.637 1.00 . A A . 7 AIB C 1 1
1 108 1 1 7 ABA CA C 4.522 11.044 2.155 1.00 . A A . 7 AIB CA 1 1
1 109 1 1 7 ABA H H 4.939 9.121 2.950 1.00 . A A . 7 AIB H 1 1
1 110 1 1 7 ABA N N 4.259 9.631 2.459 1.00 . A A . 7 AIB N 1 1
1 111 1 1 7 ABA O O 5.258 10.781 -0.125 1.00 . A A . 7 AIB O 1 1
1 112 1 1 8 GLY C C 2.378 11.312 -1.902 1.00 . A A . 8 GLY C 1 1
1 113 1 1 8 GLY CA C 3.274 12.315 -1.209 1.00 . A A . 8 GLY CA 1 1
1 114 1 1 8 GLY H H 2.775 12.388 0.844 1.00 . A A . 8 GLY H 1 1
1 115 1 1 8 GLY HA2 H 2.849 13.302 -1.322 1.00 . A A . 8 GLY HA2 1 1
1 116 1 1 8 GLY HA3 H 4.248 12.294 -1.675 1.00 . A A . 8 GLY HA3 1 1
1 117 1 1 8 GLY N N 3.424 12.029 0.203 1.00 . A A . 8 GLY N 1 1
1 118 1 1 8 GLY O O 2.177 11.374 -3.116 1.00 . A A . 8 GLY O 1 1
1 119 1 1 9 CYS C C -0.369 9.385 -0.944 1.00 . A A . 9 CYS C 1 1
1 120 1 1 9 CYS CA C 0.976 9.356 -1.663 1.00 . A A . 9 CYS CA 1 1
1 121 1 1 9 CYS CB C 1.645 7.994 -1.488 1.00 . A A . 9 CYS CB 1 1
1 122 1 1 9 CYS H H 2.013 10.409 -0.162 1.00 . A A . 9 CYS H 1 1
1 123 1 1 9 CYS HA H 0.825 9.552 -2.713 1.00 . A A . 9 CYS HA 1 1
1 124 1 1 9 CYS HB2 H 2.701 8.092 -1.682 1.00 . A A . 9 CYS HB2 1 1
1 125 1 1 9 CYS HB3 H 1.503 7.670 -0.469 1.00 . A A . 9 CYS HB3 1 1
1 126 1 1 9 CYS N N 1.835 10.390 -1.129 1.00 . A A . 9 CYS N 1 1
1 127 1 1 9 CYS O O -0.592 10.219 -0.064 1.00 . A A . 9 CYS O 1 1
1 128 1 1 9 CYS SG S 1.013 6.687 -2.566 1.00 . A A . 9 CYS SG 1 1
1 129 1 1 10 GLY C C -3.540 7.604 -1.537 1.00 . A A . 10 GLY C 1 1
1 130 1 1 10 GLY CA C -2.574 8.433 -0.717 1.00 . A A . 10 GLY CA 1 1
1 131 1 1 10 GLY H H -1.011 7.830 -2.009 1.00 . A A . 10 GLY H 1 1
1 132 1 1 10 GLY HA2 H -2.494 8.007 0.273 1.00 . A A . 10 GLY HA2 1 1
1 133 1 1 10 GLY HA3 H -2.956 9.439 -0.638 1.00 . A A . 10 GLY HA3 1 1
1 134 1 1 10 GLY N N -1.256 8.478 -1.316 1.00 . A A . 10 GLY N 1 1
1 135 1 1 10 GLY O O -4.583 8.092 -1.971 1.00 . A A . 10 GLY O 1 1
1 136 1 1 11 LYS C C -4.757 4.473 -1.670 1.00 . A A . 11 LYS C 1 1
1 137 1 1 11 LYS CA C -3.984 5.441 -2.567 1.00 . A A . 11 LYS CA 1 1
1 138 1 1 11 LYS CB C -3.075 4.667 -3.531 1.00 . A A . 11 LYS CB 1 1
1 139 1 1 11 LYS CD C -3.172 6.399 -5.364 1.00 . A A . 11 LYS CD 1 1
1 140 1 1 11 LYS CE C -2.367 7.273 -6.316 1.00 . A A . 11 LYS CE 1 1
1 141 1 1 11 LYS CG C -2.270 5.557 -4.472 1.00 . A A . 11 LYS CG 1 1
1 142 1 1 11 LYS H H -2.364 6.010 -1.342 1.00 . A A . 11 LYS H 1 1
1 143 1 1 11 LYS HA H -4.687 6.032 -3.132 1.00 . A A . 11 LYS HA 1 1
1 144 1 1 11 LYS HB2 H -2.381 4.078 -2.951 1.00 . A A . 11 LYS HB2 1 1
1 145 1 1 11 LYS HB3 H -3.683 4.003 -4.130 1.00 . A A . 11 LYS HB3 1 1
1 146 1 1 11 LYS HD2 H -3.804 5.744 -5.943 1.00 . A A . 11 LYS HD2 1 1
1 147 1 1 11 LYS HD3 H -3.784 7.035 -4.742 1.00 . A A . 11 LYS HD3 1 1
1 148 1 1 11 LYS HE2 H -3.052 7.872 -6.898 1.00 . A A . 11 LYS HE2 1 1
1 149 1 1 11 LYS HE3 H -1.731 7.922 -5.735 1.00 . A A . 11 LYS HE3 1 1
1 150 1 1 11 LYS HG2 H -1.651 6.216 -3.883 1.00 . A A . 11 LYS HG2 1 1
1 151 1 1 11 LYS HG3 H -1.646 4.932 -5.093 1.00 . A A . 11 LYS HG3 1 1
1 152 1 1 11 LYS HZ1 H -0.813 5.930 -6.710 1.00 . A A . 11 LYS HZ1 1 1
1 153 1 1 11 LYS HZ2 H -1.028 7.102 -7.908 1.00 . A A . 11 LYS HZ2 1 1
1 154 1 1 11 LYS HZ3 H -2.112 5.808 -7.788 1.00 . A A . 11 LYS HZ3 1 1
1 155 1 1 11 LYS N N -3.182 6.347 -1.753 1.00 . A A . 11 LYS N 1 1
1 156 1 1 11 LYS NZ N -1.523 6.473 -7.244 1.00 . A A . 11 LYS NZ 1 1
1 157 1 1 11 LYS O O -4.258 4.080 -0.617 1.00 . A A . 11 LYS O 1 1
1 158 1 1 12 . C C -7.089 1.835 -1.849 1.00 . A A . 12 MMO C 1 1
1 159 1 1 12 . CA C -6.803 3.193 -1.209 1.00 . A A . 12 MMO CA 1 1
1 160 1 1 12 . CB C -8.109 3.964 -0.993 1.00 . A A . 12 MMO CB 1 1
1 161 1 1 12 . CD C -9.275 5.979 -0.058 1.00 . A A . 12 MMO CD 1 1
1 162 1 1 12 . CG C -7.935 5.301 -0.289 1.00 . A A . 12 MMO CG 1 1
1 163 1 1 12 . CN C -6.501 4.505 -3.380 1.00 . A A . 12 MMO CN 1 1
1 164 1 1 12 . CZ C -9.902 7.818 1.461 1.00 . A A . 12 MMO CZ 1 1
1 165 1 1 12 . HA H -6.324 3.029 -0.254 1.00 . A A . 12 MMO HA 1 1
1 166 1 1 12 . HC1 H -6.901 5.502 -3.300 1.00 . A A . 12 MMO HC1 1 1
1 167 1 1 12 . HC2 H -7.279 3.827 -3.698 1.00 . A A . 12 MMO HC2 1 1
1 168 1 1 12 . HC3 H -5.701 4.496 -4.104 1.00 . A A . 12 MMO HC3 1 1
1 169 1 1 12 . HCB1 H -8.773 3.355 -0.397 1.00 . A A . 12 MMO HCB1 1 1
1 170 1 1 12 . HCB2 H -8.568 4.145 -1.954 1.00 . A A . 12 MMO HCB2 1 1
1 171 1 1 12 . HCD1 H -9.852 5.378 0.628 1.00 . A A . 12 MMO HCD1 1 1
1 172 1 1 12 . HCD2 H -9.795 6.049 -0.999 1.00 . A A . 12 MMO HCD2 1 1
1 173 1 1 12 . HCG1 H -7.315 5.941 -0.899 1.00 . A A . 12 MMO HCG1 1 1
1 174 1 1 12 . HCG2 H -7.456 5.134 0.664 1.00 . A A . 12 MMO HCG2 1 1
1 175 1 1 12 . HE H -8.409 7.887 0.126 1.00 . A A . 12 MMO HE 1 1
1 176 1 1 12 . HH11 H -10.298 9.430 2.620 1.00 . A A . 12 MMO HH11 1 1
1 177 1 1 12 . HH12 H -8.983 9.624 1.505 1.00 . A A . 12 MMO HH12 1 1
1 178 1 1 12 . HH21 H -11.021 6.139 1.666 1.00 . A A . 12 MMO HH21 1 1
1 179 1 1 12 . HH22 H -11.455 7.454 2.709 1.00 . A A . 12 MMO HH22 1 1
1 180 1 1 12 . N N -5.981 4.072 -2.063 1.00 . A A . 12 MMO N 1 1
1 181 1 1 12 . NE N -9.124 7.321 0.501 1.00 . A A . 12 MMO NE 1 1
1 182 1 1 12 . NH1 N -9.710 9.055 1.897 1.00 . A A . 12 MMO NH1 1 1
1 183 1 1 12 . NH2 N -10.869 7.078 1.987 1.00 . A A . 12 MMO NH2 1 1
1 184 1 1 12 . O O -7.532 1.742 -2.997 1.00 . A A . 12 MMO O 1 1
1 185 1 1 13 PHE C C -7.943 -1.370 -0.691 1.00 . A A . 13 PHE C 1 1
1 186 1 1 13 PHE CA C -6.987 -0.578 -1.575 1.00 . A A . 13 PHE CA 1 1
1 187 1 1 13 PHE CB C -5.612 -1.249 -1.609 1.00 . A A . 13 PHE CB 1 1
1 188 1 1 13 PHE CD1 C -4.472 -0.858 -3.809 1.00 . A A . 13 PHE CD1 1 1
1 189 1 1 13 PHE CD2 C -3.862 0.509 -1.954 1.00 . A A . 13 PHE CD2 1 1
1 190 1 1 13 PHE CE1 C -3.577 -0.176 -4.608 1.00 . A A . 13 PHE CE1 1 1
1 191 1 1 13 PHE CE2 C -2.964 1.191 -2.746 1.00 . A A . 13 PHE CE2 1 1
1 192 1 1 13 PHE CG C -4.625 -0.523 -2.475 1.00 . A A . 13 PHE CG 1 1
1 193 1 1 13 PHE CZ C -2.821 0.851 -4.075 1.00 . A A . 13 PHE CZ 1 1
1 194 1 1 13 PHE H H -6.568 0.927 -0.156 1.00 . A A . 13 PHE H 1 1
1 195 1 1 13 PHE HA H -7.385 -0.534 -2.577 1.00 . A A . 13 PHE HA 1 1
1 196 1 1 13 PHE HB2 H -5.211 -1.286 -0.608 1.00 . A A . 13 PHE HB2 1 1
1 197 1 1 13 PHE HB3 H -5.715 -2.253 -1.990 1.00 . A A . 13 PHE HB3 1 1
1 198 1 1 13 PHE HD1 H -5.063 -1.659 -4.224 1.00 . A A . 13 PHE HD1 1 1
1 199 1 1 13 PHE HD2 H -3.976 0.779 -0.915 1.00 . A A . 13 PHE HD2 1 1
1 200 1 1 13 PHE HE1 H -3.465 -0.446 -5.646 1.00 . A A . 13 PHE HE1 1 1
1 201 1 1 13 PHE HE2 H -2.373 1.992 -2.324 1.00 . A A . 13 PHE HE2 1 1
1 202 1 1 13 PHE HZ H -2.121 1.388 -4.697 1.00 . A A . 13 PHE HZ 1 1
1 203 1 1 13 PHE N N -6.850 0.784 -1.085 1.00 . A A . 13 PHE N 1 1
1 204 1 1 13 PHE O O -8.066 -1.100 0.502 1.00 . A A . 13 PHE O 1 1
1 205 1 1 14 THR C C -8.926 -4.417 -0.002 1.00 . A A . 14 THR C 1 1
1 206 1 1 14 THR CA C -9.586 -3.150 -0.547 1.00 . A A . 14 THR CA 1 1
1 207 1 1 14 THR CB C -10.804 -3.512 -1.435 1.00 . A A . 14 THR CB 1 1
1 208 1 1 14 THR CG2 C -10.380 -4.300 -2.668 1.00 . A A . 14 THR CG2 1 1
1 209 1 1 14 THR H H -8.469 -2.523 -2.235 1.00 . A A . 14 THR H 1 1
1 210 1 1 14 THR HA H -9.940 -2.563 0.287 1.00 . A A . 14 THR HA 1 1
1 211 1 1 14 THR HB H -11.271 -2.595 -1.762 1.00 . A A . 14 THR HB 1 1
1 212 1 1 14 THR HG1 H -11.540 -4.229 0.255 1.00 . A A . 14 THR HG1 1 1
1 213 1 1 14 THR HG21 H -11.251 -4.549 -3.255 1.00 . A A . 14 THR HG21 1 1
1 214 1 1 14 THR HG22 H -9.882 -5.207 -2.363 1.00 . A A . 14 THR HG22 1 1
1 215 1 1 14 THR HG23 H -9.705 -3.702 -3.262 1.00 . A A . 14 THR HG23 1 1
1 216 1 1 14 THR N N -8.620 -2.342 -1.280 1.00 . A A . 14 THR N 1 1
1 217 1 1 14 THR O O -9.557 -5.220 0.684 1.00 . A A . 14 THR O 1 1
1 218 1 1 14 THR OG1 O -11.764 -4.272 -0.687 1.00 . A A . 14 THR OG1 1 1
1 219 1 1 15 ARG C C -5.584 -5.225 0.822 1.00 . A A . 15 ARG C 1 1
1 220 1 1 15 ARG CA C -6.879 -5.709 0.195 1.00 . A A . 15 ARG CA 1 1
1 221 1 1 15 ARG CB C -6.565 -6.692 -0.932 1.00 . A A . 15 ARG CB 1 1
1 222 1 1 15 ARG CD C -7.392 -8.380 -2.586 1.00 . A A . 15 ARG CD 1 1
1 223 1 1 15 ARG CG C -7.788 -7.383 -1.513 1.00 . A A . 15 ARG CG 1 1
1 224 1 1 15 ARG CZ C -8.444 -10.071 -4.037 1.00 . A A . 15 ARG CZ 1 1
1 225 1 1 15 ARG H H -7.202 -3.917 -0.872 1.00 . A A . 15 ARG H 1 1
1 226 1 1 15 ARG HA H -7.469 -6.206 0.948 1.00 . A A . 15 ARG HA 1 1
1 227 1 1 15 ARG HB2 H -6.072 -6.159 -1.728 1.00 . A A . 15 ARG HB2 1 1
1 228 1 1 15 ARG HB3 H -5.897 -7.451 -0.553 1.00 . A A . 15 ARG HB3 1 1
1 229 1 1 15 ARG HD2 H -6.883 -7.850 -3.376 1.00 . A A . 15 ARG HD2 1 1
1 230 1 1 15 ARG HD3 H -6.719 -9.105 -2.152 1.00 . A A . 15 ARG HD3 1 1
1 231 1 1 15 ARG HE H -9.439 -8.795 -2.854 1.00 . A A . 15 ARG HE 1 1
1 232 1 1 15 ARG HG2 H -8.308 -7.903 -0.723 1.00 . A A . 15 ARG HG2 1 1
1 233 1 1 15 ARG HG3 H -8.436 -6.639 -1.948 1.00 . A A . 15 ARG HG3 1 1
1 234 1 1 15 ARG HH11 H -6.417 -10.032 -4.105 1.00 . A A . 15 ARG HH11 1 1
1 235 1 1 15 ARG HH12 H -7.169 -11.218 -5.123 1.00 . A A . 15 ARG HH12 1 1
1 236 1 1 15 ARG HH21 H -10.447 -10.350 -4.196 1.00 . A A . 15 ARG HH21 1 1
1 237 1 1 15 ARG HH22 H -9.469 -11.402 -5.167 1.00 . A A . 15 ARG HH22 1 1
1 238 1 1 15 ARG N N -7.646 -4.580 -0.303 1.00 . A A . 15 ARG N 1 1
1 239 1 1 15 ARG NE N -8.543 -9.081 -3.152 1.00 . A A . 15 ARG NE 1 1
1 240 1 1 15 ARG NH1 N -7.249 -10.473 -4.455 1.00 . A A . 15 ARG NH1 1 1
1 241 1 1 15 ARG NH2 N -9.540 -10.655 -4.507 1.00 . A A . 15 ARG NH2 1 1
1 242 1 1 15 ARG O O -4.804 -4.513 0.187 1.00 . A A . 15 ARG O 1 1
1 243 1 1 16 SER C C -2.943 -5.848 2.162 1.00 . A A . 16 SER C 1 1
1 244 1 1 16 SER CA C -4.174 -5.230 2.808 1.00 . A A . 16 SER CA 1 1
1 245 1 1 16 SER CB C -4.290 -5.660 4.275 1.00 . A A . 16 SER CB 1 1
1 246 1 1 16 SER H H -6.023 -6.206 2.507 1.00 . A A . 16 SER H 1 1
1 247 1 1 16 SER HA H -4.089 -4.156 2.758 1.00 . A A . 16 SER HA 1 1
1 248 1 1 16 SER HB2 H -5.222 -5.298 4.681 1.00 . A A . 16 SER HB2 1 1
1 249 1 1 16 SER HB3 H -4.268 -6.737 4.334 1.00 . A A . 16 SER HB3 1 1
1 250 1 1 16 SER HG H -2.531 -5.805 5.126 1.00 . A A . 16 SER HG 1 1
1 251 1 1 16 SER N N -5.366 -5.620 2.070 1.00 . A A . 16 SER N 1 1
1 252 1 1 16 SER O O -1.863 -5.261 2.162 1.00 . A A . 16 SER O 1 1
1 253 1 1 16 SER OG O -3.225 -5.141 5.054 1.00 . A A . 16 SER OG 1 1
1 254 1 1 17 . C C -1.916 -6.873 -1.454 1.00 . A A . 17 B3D C 1 1
1 255 1 1 17 . CA C -2.379 -7.968 -0.530 1.00 . A A . 17 B3D CA 1 1
1 256 1 1 17 . CB C -2.032 -7.708 0.936 1.00 . A A . 17 B3D CB 1 1
1 257 1 1 17 . CD C -1.087 -8.967 2.940 1.00 . A A . 17 B3D CD 1 1
1 258 1 1 17 . CG C -1.777 -9.077 1.592 1.00 . A A . 17 B3D CG 1 1
1 259 1 1 17 . H H -3.990 -7.478 1.666 1.00 . A A . 17 B3D H 1 1
1 260 1 1 17 . HA1 H -1.915 -8.890 -0.840 1.00 . A A . 17 B3D HA1 1 1
1 261 1 1 17 . HA2 H -3.451 -8.060 -0.625 1.00 . A A . 17 B3D HA2 1 1
1 262 1 1 17 . HB H -1.161 -7.027 1.007 1.00 . A A . 17 B3D HB 1 1
1 263 1 1 17 . HG2 H -1.156 -9.671 0.939 1.00 . A A . 17 B3D HG2 1 1
1 264 1 1 17 . HG3 H -2.719 -9.580 1.735 1.00 . A A . 17 B3D HG3 1 1
1 265 1 1 17 . N N -3.112 -7.040 1.608 1.00 . A A . 17 B3D N 1 1
1 266 1 1 17 . O O -0.718 -6.679 -1.674 1.00 . A A . 17 B3D O 1 1
1 267 1 1 17 . OE1 O 0.138 -9.205 3.005 1.00 . A A . 17 B3D OE1 1 1
1 268 1 1 17 . OE2 O -1.765 -8.646 3.943 1.00 . A A . 17 B3D OE2 1 1
1 269 1 1 18 GLU C C -1.986 -3.848 -2.243 1.00 . A A . 18 GLU C 1 1
1 270 1 1 18 GLU CA C -2.611 -5.056 -2.922 1.00 . A A . 18 GLU CA 1 1
1 271 1 1 18 GLU CB C -3.891 -4.635 -3.638 1.00 . A A . 18 GLU CB 1 1
1 272 1 1 18 GLU CD C -3.443 -6.291 -5.485 1.00 . A A . 18 GLU CD 1 1
1 273 1 1 18 GLU CG C -4.469 -5.716 -4.531 1.00 . A A . 18 GLU CG 1 1
1 274 1 1 18 GLU H H -3.808 -6.293 -1.705 1.00 . A A . 18 GLU H 1 1
1 275 1 1 18 GLU HA H -1.916 -5.437 -3.652 1.00 . A A . 18 GLU HA 1 1
1 276 1 1 18 GLU HB2 H -4.633 -4.375 -2.898 1.00 . A A . 18 GLU HB2 1 1
1 277 1 1 18 GLU HB3 H -3.682 -3.767 -4.246 1.00 . A A . 18 GLU HB3 1 1
1 278 1 1 18 GLU HG2 H -4.846 -6.512 -3.910 1.00 . A A . 18 GLU HG2 1 1
1 279 1 1 18 GLU HG3 H -5.278 -5.295 -5.106 1.00 . A A . 18 GLU HG3 1 1
1 280 1 1 18 GLU N N -2.884 -6.122 -1.972 1.00 . A A . 18 GLU N 1 1
1 281 1 1 18 GLU O O -1.169 -3.159 -2.842 1.00 . A A . 18 GLU O 1 1
1 282 1 1 18 GLU OE1 O -3.305 -7.530 -5.537 1.00 . A A . 18 GLU OE1 1 1
1 283 1 1 18 GLU OE2 O -2.757 -5.509 -6.178 1.00 . A A . 18 GLU OE2 1 1
1 284 1 1 19 LEU C C -0.343 -2.708 0.017 1.00 . A A . 19 LEU C 1 1
1 285 1 1 19 LEU CA C -1.823 -2.466 -0.260 1.00 . A A . 19 LEU CA 1 1
1 286 1 1 19 LEU CB C -2.617 -2.260 1.045 1.00 . A A . 19 LEU CB 1 1
1 287 1 1 19 LEU CD1 C -1.017 -1.434 2.817 1.00 . A A . 19 LEU CD1 1 1
1 288 1 1 19 LEU CD2 C -1.894 0.163 1.109 1.00 . A A . 19 LEU CD2 1 1
1 289 1 1 19 LEU CG C -2.205 -1.075 1.940 1.00 . A A . 19 LEU CG 1 1
1 290 1 1 19 LEU H H -3.066 -4.147 -0.587 1.00 . A A . 19 LEU H 1 1
1 291 1 1 19 LEU HA H -1.920 -1.582 -0.871 1.00 . A A . 19 LEU HA 1 1
1 292 1 1 19 LEU HB2 H -3.655 -2.131 0.782 1.00 . A A . 19 LEU HB2 1 1
1 293 1 1 19 LEU HB3 H -2.529 -3.164 1.630 1.00 . A A . 19 LEU HB3 1 1
1 294 1 1 19 LEU HD11 H -1.281 -2.258 3.462 1.00 . A A . 19 LEU HD11 1 1
1 295 1 1 19 LEU HD12 H -0.742 -0.580 3.417 1.00 . A A . 19 LEU HD12 1 1
1 296 1 1 19 LEU HD13 H -0.183 -1.720 2.192 1.00 . A A . 19 LEU HD13 1 1
1 297 1 1 19 LEU HD21 H -2.780 0.467 0.573 1.00 . A A . 19 LEU HD21 1 1
1 298 1 1 19 LEU HD22 H -1.108 -0.062 0.404 1.00 . A A . 19 LEU HD22 1 1
1 299 1 1 19 LEU HD23 H -1.576 0.964 1.759 1.00 . A A . 19 LEU HD23 1 1
1 300 1 1 19 LEU HG H -3.030 -0.834 2.592 1.00 . A A . 19 LEU HG 1 1
1 301 1 1 19 LEU N N -2.379 -3.584 -1.007 1.00 . A A . 19 LEU N 1 1
1 302 1 1 19 LEU O O 0.495 -1.866 -0.295 1.00 . A A . 19 LEU O 1 1
1 303 1 1 20 GLN C C 2.203 -4.348 -0.331 1.00 . A A . 20 GLN C 1 1
1 304 1 1 20 GLN CA C 1.349 -4.200 0.922 1.00 . A A . 20 GLN CA 1 1
1 305 1 1 20 GLN CB C 1.411 -5.481 1.755 1.00 . A A . 20 GLN CB 1 1
1 306 1 1 20 GLN CD C 3.383 -4.679 3.126 1.00 . A A . 20 GLN CD 1 1
1 307 1 1 20 GLN CG C 2.805 -5.799 2.279 1.00 . A A . 20 GLN CG 1 1
1 308 1 1 20 GLN H H -0.743 -4.507 0.791 1.00 . A A . 20 GLN H 1 1
1 309 1 1 20 GLN HA H 1.746 -3.388 1.510 1.00 . A A . 20 GLN HA 1 1
1 310 1 1 20 GLN HB2 H 0.745 -5.383 2.598 1.00 . A A . 20 GLN HB2 1 1
1 311 1 1 20 GLN HB3 H 1.083 -6.310 1.145 1.00 . A A . 20 GLN HB3 1 1
1 312 1 1 20 GLN HE21 H 4.229 -3.850 1.526 1.00 . A A . 20 GLN HE21 1 1
1 313 1 1 20 GLN HE22 H 4.493 -3.035 3.031 1.00 . A A . 20 GLN HE22 1 1
1 314 1 1 20 GLN HG2 H 2.752 -6.693 2.882 1.00 . A A . 20 GLN HG2 1 1
1 315 1 1 20 GLN HG3 H 3.461 -5.971 1.439 1.00 . A A . 20 GLN HG3 1 1
1 316 1 1 20 GLN N N -0.028 -3.866 0.583 1.00 . A A . 20 GLN N 1 1
1 317 1 1 20 GLN NE2 N 4.106 -3.761 2.499 1.00 . A A . 20 GLN NE2 1 1
1 318 1 1 20 GLN O O 3.263 -3.728 -0.444 1.00 . A A . 20 GLN O 1 1
1 319 1 1 20 GLN OE1 O 3.178 -4.637 4.339 1.00 . A A . 20 GLN OE1 1 1
1 320 1 1 21 . C C 2.111 -3.515 -4.162 1.00 . A A . 21 HMR C 1 1
1 321 1 1 21 . CA C 2.503 -5.353 -2.491 1.00 . A A . 21 HMR CA 1 1
1 322 1 1 21 . CB C 2.804 -6.845 -2.674 1.00 . A A . 21 HMR CB 1 1
1 323 1 1 21 . CD C 3.863 -8.919 -1.719 1.00 . A A . 21 HMR CD 1 1
1 324 1 1 21 . CG C 3.601 -7.435 -1.526 1.00 . A A . 21 HMR CG 1 1
1 325 1 1 21 . CH2 C 1.712 -4.892 -3.711 1.00 . A A . 21 HMR CH2 1 1
1 326 1 1 21 . CZ C 4.857 -10.776 -0.434 1.00 . A A . 21 HMR CZ 1 1
1 327 1 1 21 . H H 0.902 -5.645 -1.148 1.00 . A A . 21 HMR H 1 1
1 328 1 1 21 . HA H 3.420 -4.743 -2.385 1.00 . A A . 21 HMR HA 1 1
1 329 1 1 21 . HB2 H 3.365 -6.981 -3.585 1.00 . A A . 21 HMR HB2 1 1
1 330 1 1 21 . HB3 H 1.870 -7.380 -2.750 1.00 . A A . 21 HMR HB3 1 1
1 331 1 1 21 . HC1 H 1.886 -5.581 -4.520 1.00 . A A . 21 HMR HC1 1 1
1 332 1 1 21 . HC2 H 0.659 -4.879 -3.468 1.00 . A A . 21 HMR HC2 1 1
1 333 1 1 21 . HD2 H 4.427 -9.060 -2.629 1.00 . A A . 21 HMR HD2 1 1
1 334 1 1 21 . HD3 H 2.918 -9.434 -1.795 1.00 . A A . 21 HMR HD3 1 1
1 335 1 1 21 . HE H 4.968 -8.843 0.065 1.00 . A A . 21 HMR HE 1 1
1 336 1 1 21 . HG2 H 3.046 -7.292 -0.613 1.00 . A A . 21 HMR HG2 1 1
1 337 1 1 21 . HG3 H 4.548 -6.918 -1.457 1.00 . A A . 21 HMR HG3 1 1
1 338 1 1 21 . HH1 H 3.873 -11.351 -2.109 1.00 . A A . 21 HMR HH1 1 1
1 339 1 1 21 . HH2 H 4.581 -12.637 -1.187 1.00 . A A . 21 HMR HH2 1 1
1 340 1 1 21 . HH21 H 5.728 -12.169 0.751 1.00 . A A . 21 HMR HH21 1 1
1 341 1 1 21 . HH22 H 5.887 -10.531 1.293 1.00 . A A . 21 HMR HH22 1 1
1 342 1 1 21 . N N 1.755 -5.166 -1.276 1.00 . A A . 21 HMR N 1 1
1 343 1 1 21 . NE N 4.618 -9.478 -0.601 1.00 . A A . 21 HMR NE 1 1
1 344 1 1 21 . NH1 N 4.401 -11.658 -1.314 1.00 . A A . 21 HMR NH1 1 1
1 345 1 1 21 . NH2 N 5.546 -11.192 0.621 1.00 . A A . 21 HMR NH2 1 1
1 346 1 1 21 . O O 3.077 -3.332 -4.910 1.00 . A A . 21 HMR O 1 1
1 347 1 1 22 HIS C C 2.760 -0.616 -3.100 1.00 . A A . 22 HIS C 1 1
1 348 1 1 22 HIS CA C 1.616 -1.141 -3.964 1.00 . A A . 22 HIS CA 1 1
1 349 1 1 22 HIS CB C 0.341 -0.315 -3.732 1.00 . A A . 22 HIS CB 1 1
1 350 1 1 22 HIS CD2 C 1.015 1.890 -2.583 1.00 . A A . 22 HIS CD2 1 1
1 351 1 1 22 HIS CE1 C 0.834 3.267 -4.256 1.00 . A A . 22 HIS CE1 1 1
1 352 1 1 22 HIS CG C 0.585 1.160 -3.641 1.00 . A A . 22 HIS CG 1 1
1 353 1 1 22 HIS H H 0.595 -2.768 -3.110 1.00 . A A . 22 HIS H 1 1
1 354 1 1 22 HIS HA H 1.901 -1.059 -5.000 1.00 . A A . 22 HIS HA 1 1
1 355 1 1 22 HIS HB2 H -0.345 -0.488 -4.546 1.00 . A A . 22 HIS HB2 1 1
1 356 1 1 22 HIS HB3 H -0.120 -0.635 -2.808 1.00 . A A . 22 HIS HB3 1 1
1 357 1 1 22 HIS HD1 H 0.158 1.836 -5.612 1.00 . A A . 22 HIS HD1 1 1
1 358 1 1 22 HIS HD2 H 1.193 1.526 -1.582 1.00 . A A . 22 HIS HD2 1 1
1 359 1 1 22 HIS HE1 H 0.847 4.167 -4.849 1.00 . A A . 22 HIS HE1 1 1
1 360 1 1 22 HIS N N 1.360 -2.537 -3.680 1.00 . A A . 22 HIS N 1 1
1 361 1 1 22 HIS ND1 N 0.462 2.052 -4.702 1.00 . A A . 22 HIS ND1 1 1
1 362 1 1 22 HIS NE2 N 1.169 3.187 -2.993 1.00 . A A . 22 HIS NE2 1 1
1 363 1 1 22 HIS O O 3.735 -0.081 -3.629 1.00 . A A . 22 HIS O 1 1
1 364 1 1 23 LYS C C 5.008 -0.625 -1.250 1.00 . A A . 23 LYS C 1 1
1 365 1 1 23 LYS CA C 3.606 -0.231 -0.824 1.00 . A A . 23 LYS CA 1 1
1 366 1 1 23 LYS CB C 3.322 -0.724 0.599 1.00 . A A . 23 LYS CB 1 1
1 367 1 1 23 LYS CD C 3.255 1.442 1.876 1.00 . A A . 23 LYS CD 1 1
1 368 1 1 23 LYS CE C 3.962 2.331 2.890 1.00 . A A . 23 LYS CE 1 1
1 369 1 1 23 LYS CG C 3.981 0.116 1.683 1.00 . A A . 23 LYS CG 1 1
1 370 1 1 23 LYS H H 1.863 -1.285 -1.426 1.00 . A A . 23 LYS H 1 1
1 371 1 1 23 LYS HA H 3.526 0.844 -0.853 1.00 . A A . 23 LYS HA 1 1
1 372 1 1 23 LYS HB2 H 2.254 -0.711 0.766 1.00 . A A . 23 LYS HB2 1 1
1 373 1 1 23 LYS HB3 H 3.679 -1.739 0.693 1.00 . A A . 23 LYS HB3 1 1
1 374 1 1 23 LYS HD2 H 3.211 1.958 0.929 1.00 . A A . 23 LYS HD2 1 1
1 375 1 1 23 LYS HD3 H 2.250 1.242 2.224 1.00 . A A . 23 LYS HD3 1 1
1 376 1 1 23 LYS HE2 H 4.983 2.477 2.570 1.00 . A A . 23 LYS HE2 1 1
1 377 1 1 23 LYS HE3 H 3.458 3.286 2.927 1.00 . A A . 23 LYS HE3 1 1
1 378 1 1 23 LYS HG2 H 3.966 -0.430 2.613 1.00 . A A . 23 LYS HG2 1 1
1 379 1 1 23 LYS HG3 H 5.002 0.316 1.395 1.00 . A A . 23 LYS HG3 1 1
1 380 1 1 23 LYS HZ1 H 4.435 2.387 4.923 1.00 . A A . 23 LYS HZ1 1 1
1 381 1 1 23 LYS HZ2 H 4.491 0.838 4.253 1.00 . A A . 23 LYS HZ2 1 1
1 382 1 1 23 LYS HZ3 H 2.997 1.564 4.577 1.00 . A A . 23 LYS HZ3 1 1
1 383 1 1 23 LYS N N 2.632 -0.780 -1.773 1.00 . A A . 23 LYS N 1 1
1 384 1 1 23 LYS NZ N 3.971 1.738 4.255 1.00 . A A . 23 LYS NZ 1 1
1 385 1 1 23 LYS O O 5.929 0.197 -1.260 1.00 . A A . 23 LYS O 1 1
1 386 1 1 24 . C C 7.210 -1.149 -4.199 1.00 . A A . 24 HMR C 1 1
1 387 1 1 24 . CA C 6.414 -2.372 -2.106 1.00 . A A . 24 HMR CA 1 1
1 388 1 1 24 . CB C 6.569 -3.843 -1.699 1.00 . A A . 24 HMR CB 1 1
1 389 1 1 24 . CD C 7.892 -5.950 -1.975 1.00 . A A . 24 HMR CD 1 1
1 390 1 1 24 . CG C 7.927 -4.433 -2.021 1.00 . A A . 24 HMR CG 1 1
1 391 1 1 24 . CH2 C 6.433 -2.315 -3.638 1.00 . A A . 24 HMR CH2 1 1
1 392 1 1 24 . CZ C 6.904 -7.810 -3.260 1.00 . A A . 24 HMR CZ 1 1
1 393 1 1 24 . H H 4.391 -2.498 -1.557 1.00 . A A . 24 HMR H 1 1
1 394 1 1 24 . HA H 7.199 -1.723 -1.681 1.00 . A A . 24 HMR HA 1 1
1 395 1 1 24 . HB2 H 5.817 -4.427 -2.209 1.00 . A A . 24 HMR HB2 1 1
1 396 1 1 24 . HB3 H 6.412 -3.926 -0.634 1.00 . A A . 24 HMR HB3 1 1
1 397 1 1 24 . HC1 H 6.872 -3.224 -4.014 1.00 . A A . 24 HMR HC1 1 1
1 398 1 1 24 . HC2 H 5.417 -2.242 -3.995 1.00 . A A . 24 HMR HC2 1 1
1 399 1 1 24 . HD2 H 7.495 -6.259 -1.020 1.00 . A A . 24 HMR HD2 1 1
1 400 1 1 24 . HD3 H 8.896 -6.326 -2.087 1.00 . A A . 24 HMR HD3 1 1
1 401 1 1 24 . HE H 6.579 -5.868 -3.620 1.00 . A A . 24 HMR HE 1 1
1 402 1 1 24 . HG2 H 8.645 -4.074 -1.299 1.00 . A A . 24 HMR HG2 1 1
1 403 1 1 24 . HG3 H 8.218 -4.120 -3.009 1.00 . A A . 24 HMR HG3 1 1
1 404 1 1 24 . HH1 H 5.661 -7.561 -4.841 1.00 . A A . 24 HMR HH1 1 1
1 405 1 1 24 . HH2 H 6.012 -9.210 -4.426 1.00 . A A . 24 HMR HH2 1 1
1 406 1 1 24 . HH21 H 8.108 -8.391 -1.736 1.00 . A A . 24 HMR HH21 1 1
1 407 1 1 24 . HH22 H 7.406 -9.678 -2.658 1.00 . A A . 24 HMR HH22 1 1
1 408 1 1 24 . N N 5.157 -1.884 -1.623 1.00 . A A . 24 HMR N 1 1
1 409 1 1 24 . NE N 7.057 -6.506 -3.038 1.00 . A A . 24 HMR NE 1 1
1 410 1 1 24 . NH1 N 6.131 -8.226 -4.254 1.00 . A A . 24 HMR NH1 1 1
1 411 1 1 24 . NH2 N 7.522 -8.696 -2.489 1.00 . A A . 24 HMR NH2 1 1
1 412 1 1 24 . O O 8.426 -1.224 -4.394 1.00 . A A . 24 HMR O 1 1
1 413 1 1 25 THR C C 7.841 1.983 -4.089 1.00 . A A . 25 THR C 1 1
1 414 1 1 25 THR CA C 7.088 1.116 -5.093 1.00 . A A . 25 THR CA 1 1
1 415 1 1 25 THR CB C 6.026 1.970 -5.831 1.00 . A A . 25 THR CB 1 1
1 416 1 1 25 THR CG2 C 4.944 2.469 -4.883 1.00 . A A . 25 THR CG2 1 1
1 417 1 1 25 THR H H 5.545 -0.035 -4.208 1.00 . A A . 25 THR H 1 1
1 418 1 1 25 THR HA H 7.793 0.760 -5.827 1.00 . A A . 25 THR HA 1 1
1 419 1 1 25 THR HB H 5.562 1.354 -6.587 1.00 . A A . 25 THR HB 1 1
1 420 1 1 25 THR HG1 H 7.585 3.126 -6.225 1.00 . A A . 25 THR HG1 1 1
1 421 1 1 25 THR HG21 H 4.426 1.626 -4.451 1.00 . A A . 25 THR HG21 1 1
1 422 1 1 25 THR HG22 H 4.240 3.079 -5.430 1.00 . A A . 25 THR HG22 1 1
1 423 1 1 25 THR HG23 H 5.396 3.056 -4.099 1.00 . A A . 25 THR HG23 1 1
1 424 1 1 25 THR N N 6.498 -0.053 -4.456 1.00 . A A . 25 THR N 1 1
1 425 1 1 25 THR O O 8.799 2.663 -4.449 1.00 . A A . 25 THR O 1 1
1 426 1 1 25 THR OG1 O 6.647 3.095 -6.470 1.00 . A A . 25 THR OG1 1 1
1 427 1 1 26 HIS C C 9.136 1.911 -1.114 1.00 . A A . 26 HIS C 1 1
1 428 1 1 26 HIS CA C 8.077 2.752 -1.810 1.00 . A A . 26 HIS CA 1 1
1 429 1 1 26 HIS CB C 7.082 3.271 -0.767 1.00 . A A . 26 HIS CB 1 1
1 430 1 1 26 HIS CD2 C 4.569 3.682 -1.142 1.00 . A A . 26 HIS CD2 1 1
1 431 1 1 26 HIS CE1 C 4.639 5.471 -2.380 1.00 . A A . 26 HIS CE1 1 1
1 432 1 1 26 HIS CG C 5.878 3.968 -1.323 1.00 . A A . 26 HIS CG 1 1
1 433 1 1 26 HIS H H 6.655 1.387 -2.588 1.00 . A A . 26 HIS H 1 1
1 434 1 1 26 HIS HA H 8.553 3.591 -2.295 1.00 . A A . 26 HIS HA 1 1
1 435 1 1 26 HIS HB2 H 6.727 2.436 -0.180 1.00 . A A . 26 HIS HB2 1 1
1 436 1 1 26 HIS HB3 H 7.593 3.965 -0.114 1.00 . A A . 26 HIS HB3 1 1
1 437 1 1 26 HIS HD1 H 6.724 5.573 -2.436 1.00 . A A . 26 HIS HD1 1 1
1 438 1 1 26 HIS HD2 H 4.169 2.856 -0.575 1.00 . A A . 26 HIS HD2 1 1
1 439 1 1 26 HIS HE1 H 4.339 6.329 -2.962 1.00 . A A . 26 HIS HE1 1 1
1 440 1 1 26 HIS N N 7.417 1.959 -2.835 1.00 . A A . 26 HIS N 1 1
1 441 1 1 26 HIS ND1 N 5.915 5.111 -2.121 1.00 . A A . 26 HIS ND1 1 1
1 442 1 1 26 HIS NE2 N 3.821 4.628 -1.806 1.00 . A A . 26 HIS NE2 1 1
1 443 1 1 26 HIS O O 10.304 2.295 -1.036 1.00 . A A . 26 HIS O 1 1
1 444 1 1 27 . C C 11.544 -1.601 -0.739 1.00 . A A . 27 B3T C 1 1
1 445 1 1 27 . CA C 10.062 -1.292 -0.855 1.00 . A A . 27 B3T CA 1 1
1 446 1 1 27 . CB C 9.625 -0.156 0.070 1.00 . A A . 27 B3T CB 1 1
1 447 1 1 27 . CD2 C 8.741 0.363 2.369 1.00 . A A . 27 B3T CD2 1 1
1 448 1 1 27 . CG C 8.957 -0.726 1.330 1.00 . A A . 27 B3T CG 1 1
1 449 1 1 27 . H1D2 H 8.271 -0.061 3.244 1.00 . A A . 27 B3T H1D2 1 1
1 450 1 1 27 . H2D2 H 8.105 1.131 1.955 1.00 . A A . 27 B3T H2D2 1 1
1 451 1 1 27 . H3D2 H 9.691 0.793 2.643 1.00 . A A . 27 B3T H3D2 1 1
1 452 1 1 27 . HA H 9.850 -1.017 -1.877 1.00 . A A . 27 B3T HA 1 1
1 453 1 1 27 . HAA H 9.505 -2.182 -0.603 1.00 . A A . 27 B3T HAA 1 1
1 454 1 1 27 . HB H 10.495 0.409 0.371 1.00 . A A . 27 B3T HB 1 1
1 455 1 1 27 . HG H 9.602 -1.482 1.752 1.00 . A A . 27 B3T HG 1 1
1 456 1 1 27 . HN H 7.775 0.493 -0.728 1.00 . A A . 27 B3T HN 1 1
1 457 1 1 27 . HOD1 H 7.712 -2.254 1.249 1.00 . A A . 27 B3T HOD1 1 1
1 458 1 1 27 . N N 8.721 0.749 -0.624 1.00 . A A . 27 B3T N 1 1
1 459 1 1 27 . O O 12.374 -0.694 -0.692 1.00 . A A . 27 B3T O 1 1
1 460 1 1 27 . OD1 O 7.703 -1.322 0.987 1.00 . A A . 27 B3T OD1 1 1
1 461 1 1 28 GLY C C 13.497 -4.252 0.546 1.00 . A A . 28 GLY C 1 1
1 462 1 1 28 GLY CA C 13.266 -3.287 -0.596 1.00 . A A . 28 GLY CA 1 1
1 463 1 1 28 GLY H H 11.176 -3.567 -0.743 1.00 . A A . 28 GLY H 1 1
1 464 1 1 28 GLY HA2 H 13.562 -3.761 -1.518 1.00 . A A . 28 GLY HA2 1 1
1 465 1 1 28 GLY HA3 H 13.875 -2.409 -0.442 1.00 . A A . 28 GLY HA3 1 1
1 466 1 1 28 GLY N N 11.877 -2.885 -0.700 1.00 . A A . 28 GLY N 1 1
1 467 1 1 28 GLY O O 13.937 -5.383 0.336 1.00 . A A . 28 GLY O 1 1
1 468 1 1 29 GLU C C 11.981 -5.155 3.395 1.00 . A A . 29 GLU C 1 1
1 469 1 1 29 GLU CA C 13.343 -4.647 2.938 1.00 . A A . 29 GLU CA 1 1
1 470 1 1 29 GLU CB C 14.015 -3.864 4.070 1.00 . A A . 29 GLU CB 1 1
1 471 1 1 29 GLU CD C 14.893 -3.892 6.433 1.00 . A A . 29 GLU CD 1 1
1 472 1 1 29 GLU CG C 14.305 -4.703 5.301 1.00 . A A . 29 GLU CG 1 1
1 473 1 1 29 GLU H H 12.873 -2.886 1.859 1.00 . A A . 29 GLU H 1 1
1 474 1 1 29 GLU HA H 13.963 -5.491 2.674 1.00 . A A . 29 GLU HA 1 1
1 475 1 1 29 GLU HB2 H 14.947 -3.459 3.709 1.00 . A A . 29 GLU HB2 1 1
1 476 1 1 29 GLU HB3 H 13.368 -3.051 4.362 1.00 . A A . 29 GLU HB3 1 1
1 477 1 1 29 GLU HG2 H 13.385 -5.151 5.640 1.00 . A A . 29 GLU HG2 1 1
1 478 1 1 29 GLU HG3 H 15.006 -5.480 5.033 1.00 . A A . 29 GLU HG3 1 1
1 479 1 1 29 GLU N N 13.198 -3.807 1.756 1.00 . A A . 29 GLU N 1 1
1 480 1 1 29 GLU O O 11.861 -6.257 3.934 1.00 . A A . 29 GLU O 1 1
1 481 1 1 29 GLU OE1 O 14.131 -3.486 7.334 1.00 . A A . 29 GLU OE1 1 1
1 482 1 1 29 GLU OE2 O 16.121 -3.653 6.425 1.00 . A A . 29 GLU OE2 1 1
1 483 1 1 30 LYS C C 8.705 -4.810 2.356 1.00 . A A . 30 LYS C 1 1
1 484 1 1 30 LYS CA C 9.606 -4.694 3.578 1.00 . A A . 30 LYS CA 1 1
1 485 1 1 30 LYS CB C 9.053 -3.653 4.559 1.00 . A A . 30 LYS CB 1 1
1 486 1 1 30 LYS CD C 7.224 -2.990 6.145 1.00 . A A . 30 LYS CD 1 1
1 487 1 1 30 LYS CE C 5.857 -3.352 6.698 1.00 . A A . 30 LYS CE 1 1
1 488 1 1 30 LYS CG C 7.687 -4.009 5.120 1.00 . A A . 30 LYS CG 1 1
1 489 1 1 30 LYS H H 11.116 -3.481 2.733 1.00 . A A . 30 LYS H 1 1
1 490 1 1 30 LYS HA H 9.647 -5.655 4.071 1.00 . A A . 30 LYS HA 1 1
1 491 1 1 30 LYS HB2 H 9.740 -3.550 5.384 1.00 . A A . 30 LYS HB2 1 1
1 492 1 1 30 LYS HB3 H 8.972 -2.703 4.050 1.00 . A A . 30 LYS HB3 1 1
1 493 1 1 30 LYS HD2 H 7.936 -2.958 6.957 1.00 . A A . 30 LYS HD2 1 1
1 494 1 1 30 LYS HD3 H 7.166 -2.020 5.672 1.00 . A A . 30 LYS HD3 1 1
1 495 1 1 30 LYS HE2 H 5.140 -3.326 5.892 1.00 . A A . 30 LYS HE2 1 1
1 496 1 1 30 LYS HE3 H 5.902 -4.351 7.106 1.00 . A A . 30 LYS HE3 1 1
1 497 1 1 30 LYS HG2 H 6.973 -4.039 4.312 1.00 . A A . 30 LYS HG2 1 1
1 498 1 1 30 LYS HG3 H 7.742 -4.981 5.590 1.00 . A A . 30 LYS HG3 1 1
1 499 1 1 30 LYS HZ1 H 6.062 -2.470 8.578 1.00 . A A . 30 LYS HZ1 1 1
1 500 1 1 30 LYS HZ2 H 4.457 -2.656 8.082 1.00 . A A . 30 LYS HZ2 1 1
1 501 1 1 30 LYS HZ3 H 5.416 -1.438 7.404 1.00 . A A . 30 LYS HZ3 1 1
1 502 1 1 30 LYS N N 10.958 -4.342 3.178 1.00 . A A . 30 LYS N 1 1
1 503 1 1 30 LYS NZ N 5.419 -2.414 7.763 1.00 . A A . 30 LYS NZ 1 1
1 504 1 1 30 LYS O O 8.109 -3.834 1.904 1.00 . A A . 30 LYS O 1 1
1 505 1 1 31 NH2 HN1 H 9.122 -6.742 2.230 1.00 . A A . 31 NH2 HN1 1 1
1 506 1 1 31 NH2 HN2 H 8.039 -6.123 1.033 1.00 . A A . 31 NH2 HN2 1 1
1 507 1 1 31 NH2 N N 8.614 -6.010 1.816 1.00 . A A . 31 NH2 N 1 1
1 508 2 2 1 ZN ZN ZN 1.826 4.667 -1.833 1.00 . B A . 101 ZN ZN 1 1
2 509 1 1 1 PRO C C -9.002 -0.121 3.778 1.00 . A A . 1 PRO C 1 1
2 510 1 1 1 PRO CA C -10.276 -0.532 3.053 1.00 . A A . 1 PRO CA 1 1
2 511 1 1 1 PRO CB C -10.604 0.471 1.956 1.00 . A A . 1 PRO CB 1 1
2 512 1 1 1 PRO CD C -12.548 0.022 3.296 1.00 . A A . 1 PRO CD 1 1
2 513 1 1 1 PRO CG C -11.918 1.038 2.368 1.00 . A A . 1 PRO CG 1 1
2 514 1 1 1 PRO H2 H -11.075 -0.129 4.858 1.00 . A A . 1 PRO H2 1 1
2 515 1 1 1 PRO H3 H -11.464 -1.602 4.275 1.00 . A A . 1 PRO H3 1 1
2 516 1 1 1 PRO HA H -10.137 -1.512 2.618 1.00 . A A . 1 PRO HA 1 1
2 517 1 1 1 PRO HB2 H -9.837 1.232 1.917 1.00 . A A . 1 PRO HB2 1 1
2 518 1 1 1 PRO HB3 H -10.672 -0.035 1.004 1.00 . A A . 1 PRO HB3 1 1
2 519 1 1 1 PRO HD2 H -13.208 0.510 3.997 1.00 . A A . 1 PRO HD2 1 1
2 520 1 1 1 PRO HD3 H -13.089 -0.719 2.725 1.00 . A A . 1 PRO HD3 1 1
2 521 1 1 1 PRO HG2 H -11.764 1.972 2.887 1.00 . A A . 1 PRO HG2 1 1
2 522 1 1 1 PRO HG3 H -12.541 1.191 1.500 1.00 . A A . 1 PRO HG3 1 1
2 523 1 1 1 PRO N N -11.408 -0.594 3.997 1.00 . A A . 1 PRO N 1 1
2 524 1 1 1 PRO O O -9.020 0.135 4.982 1.00 . A A . 1 PRO O 1 1
2 525 1 1 2 PHE C C -6.011 1.433 2.772 1.00 . A A . 2 PHE C 1 1
2 526 1 1 2 PHE CA C -6.612 0.303 3.599 1.00 . A A . 2 PHE CA 1 1
2 527 1 1 2 PHE CB C -5.663 -0.900 3.596 1.00 . A A . 2 PHE CB 1 1
2 528 1 1 2 PHE CD1 C -6.861 -3.104 3.508 1.00 . A A . 2 PHE CD1 1 1
2 529 1 1 2 PHE CD2 C -6.135 -2.287 5.627 1.00 . A A . 2 PHE CD2 1 1
2 530 1 1 2 PHE CE1 C -7.381 -4.228 4.115 1.00 . A A . 2 PHE CE1 1 1
2 531 1 1 2 PHE CE2 C -6.655 -3.410 6.240 1.00 . A A . 2 PHE CE2 1 1
2 532 1 1 2 PHE CG C -6.231 -2.121 4.258 1.00 . A A . 2 PHE CG 1 1
2 533 1 1 2 PHE CZ C -7.279 -4.382 5.483 1.00 . A A . 2 PHE CZ 1 1
2 534 1 1 2 PHE H H -7.959 -0.283 2.084 1.00 . A A . 2 PHE H 1 1
2 535 1 1 2 PHE HA H -6.764 0.640 4.613 1.00 . A A . 2 PHE HA 1 1
2 536 1 1 2 PHE HB2 H -5.422 -1.156 2.576 1.00 . A A . 2 PHE HB2 1 1
2 537 1 1 2 PHE HB3 H -4.757 -0.631 4.119 1.00 . A A . 2 PHE HB3 1 1
2 538 1 1 2 PHE HD1 H -6.942 -2.986 2.438 1.00 . A A . 2 PHE HD1 1 1
2 539 1 1 2 PHE HD2 H -5.647 -1.526 6.219 1.00 . A A . 2 PHE HD2 1 1
2 540 1 1 2 PHE HE1 H -7.868 -4.986 3.520 1.00 . A A . 2 PHE HE1 1 1
2 541 1 1 2 PHE HE2 H -6.574 -3.528 7.310 1.00 . A A . 2 PHE HE2 1 1
2 542 1 1 2 PHE HZ H -7.685 -5.262 5.961 1.00 . A A . 2 PHE HZ 1 1
2 543 1 1 2 PHE N N -7.903 -0.068 3.043 1.00 . A A . 2 PHE N 1 1
2 544 1 1 2 PHE O O -6.071 1.395 1.545 1.00 . A A . 2 PHE O 1 1
2 545 1 1 3 . C C -3.368 3.718 2.787 1.00 . A A . 3 9KK C 1 1
2 546 1 1 3 . CA C -4.878 3.586 2.654 1.00 . A A . 3 9KK CA 1 1
2 547 1 1 3 . CB C -5.571 4.815 3.247 1.00 . A A . 3 9KK CB 1 1
2 548 1 1 3 . CD C -5.942 7.297 3.127 1.00 . A A . 3 9KK CD 1 1
2 549 1 1 3 . CE C -5.580 8.560 2.376 1.00 . A A . 3 9KK CE 1 1
2 550 1 1 3 . CG C -5.194 6.110 2.547 1.00 . A A . 3 9KK CG 1 1
2 551 1 1 3 . CM C -5.342 2.445 4.884 1.00 . A A . 3 9KK CM 1 1
2 552 1 1 3 . HA H -5.130 3.509 1.606 1.00 . A A . 3 9KK HA 1 1
2 553 1 1 3 . HB2 H -5.295 4.901 4.287 1.00 . A A . 3 9KK HB2 1 1
2 554 1 1 3 . HB3 H -6.640 4.685 3.176 1.00 . A A . 3 9KK HB3 1 1
2 555 1 1 3 . HD2 H -5.671 7.419 4.165 1.00 . A A . 3 9KK HD2 1 1
2 556 1 1 3 . HD3 H -7.006 7.130 3.037 1.00 . A A . 3 9KK HD3 1 1
2 557 1 1 3 . HE1 H -5.850 8.451 1.336 1.00 . A A . 3 9KK HE1 1 1
2 558 1 1 3 . HE2 H -4.518 8.736 2.456 1.00 . A A . 3 9KK HE2 1 1
2 559 1 1 3 . HE3 H -6.115 9.396 2.801 1.00 . A A . 3 9KK HE3 1 1
2 560 1 1 3 . HG2 H -5.430 6.022 1.496 1.00 . A A . 3 9KK HG2 1 1
2 561 1 1 3 . HG3 H -4.134 6.274 2.666 1.00 . A A . 3 9KK HG3 1 1
2 562 1 1 3 . HM1 H -6.298 2.717 5.303 1.00 . A A . 3 9KK HM1 1 1
2 563 1 1 3 . HM2 H -4.593 3.157 5.200 1.00 . A A . 3 9KK HM2 1 1
2 564 1 1 3 . HM3 H -5.066 1.458 5.224 1.00 . A A . 3 9KK HM3 1 1
2 565 1 1 3 . N N -5.431 2.455 3.409 1.00 . A A . 3 9KK N 1 1
2 566 1 1 3 . O O -2.804 3.605 3.879 1.00 . A A . 3 9KK O 1 1
2 567 1 1 4 CYS C C -1.035 5.676 2.045 1.00 . A A . 4 CYS C 1 1
2 568 1 1 4 CYS CA C -1.291 4.221 1.677 1.00 . A A . 4 CYS CA 1 1
2 569 1 1 4 CYS CB C -0.660 3.910 0.323 1.00 . A A . 4 CYS CB 1 1
2 570 1 1 4 CYS H H -3.199 3.958 0.815 1.00 . A A . 4 CYS H 1 1
2 571 1 1 4 CYS HA H -0.843 3.587 2.428 1.00 . A A . 4 CYS HA 1 1
2 572 1 1 4 CYS HB2 H -0.849 2.877 0.068 1.00 . A A . 4 CYS HB2 1 1
2 573 1 1 4 CYS HB3 H -1.095 4.550 -0.430 1.00 . A A . 4 CYS HB3 1 1
2 574 1 1 4 CYS N N -2.712 3.959 1.668 1.00 . A A . 4 CYS N 1 1
2 575 1 1 4 CYS O O -1.017 6.553 1.181 1.00 . A A . 4 CYS O 1 1
2 576 1 1 4 CYS SG S 1.127 4.171 0.310 1.00 . A A . 4 CYS SG 1 1
2 577 1 1 5 THR C C 0.907 7.584 3.800 1.00 . A A . 5 THR C 1 1
2 578 1 1 5 THR CA C -0.589 7.266 3.822 1.00 . A A . 5 THR CA 1 1
2 579 1 1 5 THR CB C -1.144 7.429 5.251 1.00 . A A . 5 THR CB 1 1
2 580 1 1 5 THR CG2 C -2.657 7.573 5.230 1.00 . A A . 5 THR CG2 1 1
2 581 1 1 5 THR H H -0.879 5.183 3.970 1.00 . A A . 5 THR H 1 1
2 582 1 1 5 THR HA H -1.104 7.961 3.173 1.00 . A A . 5 THR HA 1 1
2 583 1 1 5 THR HB H -0.718 8.321 5.688 1.00 . A A . 5 THR HB 1 1
2 584 1 1 5 THR HG1 H -1.009 6.469 6.970 1.00 . A A . 5 THR HG1 1 1
2 585 1 1 5 THR HG21 H -3.096 6.695 4.779 1.00 . A A . 5 THR HG21 1 1
2 586 1 1 5 THR HG22 H -2.929 8.447 4.656 1.00 . A A . 5 THR HG22 1 1
2 587 1 1 5 THR HG23 H -3.022 7.678 6.241 1.00 . A A . 5 THR HG23 1 1
2 588 1 1 5 THR N N -0.844 5.924 3.328 1.00 . A A . 5 THR N 1 1
2 589 1 1 5 THR O O 1.480 8.032 4.794 1.00 . A A . 5 THR O 1 1
2 590 1 1 5 THR OG1 O -0.780 6.296 6.050 1.00 . A A . 5 THR OG1 1 1
2 591 1 1 6 TRP C C 3.139 9.073 2.113 1.00 . A A . 6 TRP C 1 1
2 592 1 1 6 TRP CA C 2.949 7.609 2.488 1.00 . A A . 6 TRP CA 1 1
2 593 1 1 6 TRP CB C 3.521 6.698 1.397 1.00 . A A . 6 TRP CB 1 1
2 594 1 1 6 TRP CD1 C 5.855 7.491 0.710 1.00 . A A . 6 TRP CD1 1 1
2 595 1 1 6 TRP CD2 C 5.847 5.676 2.016 1.00 . A A . 6 TRP CD2 1 1
2 596 1 1 6 TRP CE2 C 7.181 6.005 1.716 1.00 . A A . 6 TRP CE2 1 1
2 597 1 1 6 TRP CE3 C 5.593 4.565 2.824 1.00 . A A . 6 TRP CE3 1 1
2 598 1 1 6 TRP CG C 5.015 6.642 1.369 1.00 . A A . 6 TRP CG 1 1
2 599 1 1 6 TRP CH2 C 7.977 4.182 2.983 1.00 . A A . 6 TRP CH2 1 1
2 600 1 1 6 TRP CZ2 C 8.256 5.263 2.196 1.00 . A A . 6 TRP CZ2 1 1
2 601 1 1 6 TRP CZ3 C 6.661 3.830 3.298 1.00 . A A . 6 TRP CZ3 1 1
2 602 1 1 6 TRP H H 1.025 6.972 1.908 1.00 . A A . 6 TRP H 1 1
2 603 1 1 6 TRP HA H 3.451 7.412 3.422 1.00 . A A . 6 TRP HA 1 1
2 604 1 1 6 TRP HB2 H 3.156 5.696 1.548 1.00 . A A . 6 TRP HB2 1 1
2 605 1 1 6 TRP HB3 H 3.187 7.054 0.436 1.00 . A A . 6 TRP HB3 1 1
2 606 1 1 6 TRP HD1 H 5.525 8.333 0.118 1.00 . A A . 6 TRP HD1 1 1
2 607 1 1 6 TRP HE1 H 7.948 7.575 0.553 1.00 . A A . 6 TRP HE1 1 1
2 608 1 1 6 TRP HE3 H 4.584 4.280 3.076 1.00 . A A . 6 TRP HE3 1 1
2 609 1 1 6 TRP HH2 H 8.779 3.577 3.376 1.00 . A A . 6 TRP HH2 1 1
2 610 1 1 6 TRP HZ2 H 9.279 5.521 1.963 1.00 . A A . 6 TRP HZ2 1 1
2 611 1 1 6 TRP HZ3 H 6.485 2.968 3.923 1.00 . A A . 6 TRP HZ3 1 1
2 612 1 1 6 TRP N N 1.533 7.336 2.659 1.00 . A A . 6 TRP N 1 1
2 613 1 1 6 TRP NE1 N 7.159 7.119 0.919 1.00 . A A . 6 TRP NE1 1 1
2 614 1 1 6 TRP O O 2.226 9.693 1.568 1.00 . A A . 6 TRP O 1 1
2 615 1 1 7 ABA C C 4.431 11.239 0.581 1.00 . A A . 7 AIB C 1 1
2 616 1 1 7 ABA CA C 4.664 10.996 2.084 1.00 . A A . 7 AIB CA 1 1
2 617 1 1 7 ABA H H 4.963 9.070 2.919 1.00 . A A . 7 AIB H 1 1
2 618 1 1 7 ABA N N 4.310 9.615 2.428 1.00 . A A . 7 AIB N 1 1
2 619 1 1 7 ABA O O 5.200 10.767 -0.260 1.00 . A A . 7 AIB O 1 1
2 620 1 1 8 GLY C C 2.284 11.231 -1.847 1.00 . A A . 8 GLY C 1 1
2 621 1 1 8 GLY CA C 3.097 12.295 -1.136 1.00 . A A . 8 GLY CA 1 1
2 622 1 1 8 GLY H H 2.747 12.255 0.949 1.00 . A A . 8 GLY H 1 1
2 623 1 1 8 GLY HA2 H 2.556 13.230 -1.168 1.00 . A A . 8 GLY HA2 1 1
2 624 1 1 8 GLY HA3 H 4.039 12.415 -1.651 1.00 . A A . 8 GLY HA3 1 1
2 625 1 1 8 GLY N N 3.366 11.959 0.249 1.00 . A A . 8 GLY N 1 1
2 626 1 1 8 GLY O O 2.246 11.188 -3.078 1.00 . A A . 8 GLY O 1 1
2 627 1 1 9 CYS C C -0.527 9.269 -0.938 1.00 . A A . 9 CYS C 1 1
2 628 1 1 9 CYS CA C 0.833 9.302 -1.634 1.00 . A A . 9 CYS CA 1 1
2 629 1 1 9 CYS CB C 1.559 7.967 -1.463 1.00 . A A . 9 CYS CB 1 1
2 630 1 1 9 CYS H H 1.724 10.442 -0.100 1.00 . A A . 9 CYS H 1 1
2 631 1 1 9 CYS HA H 0.691 9.502 -2.686 1.00 . A A . 9 CYS HA 1 1
2 632 1 1 9 CYS HB2 H 2.608 8.107 -1.673 1.00 . A A . 9 CYS HB2 1 1
2 633 1 1 9 CYS HB3 H 1.444 7.640 -0.441 1.00 . A A . 9 CYS HB3 1 1
2 634 1 1 9 CYS N N 1.645 10.367 -1.077 1.00 . A A . 9 CYS N 1 1
2 635 1 1 9 CYS O O -0.682 9.811 0.161 1.00 . A A . 9 CYS O 1 1
2 636 1 1 9 CYS SG S 0.959 6.640 -2.532 1.00 . A A . 9 CYS SG 1 1
2 637 1 1 10 GLY C C -3.768 7.687 -1.786 1.00 . A A . 10 GLY C 1 1
2 638 1 1 10 GLY CA C -2.838 8.581 -0.994 1.00 . A A . 10 GLY CA 1 1
2 639 1 1 10 GLY H H -1.344 8.247 -2.453 1.00 . A A . 10 GLY H 1 1
2 640 1 1 10 GLY HA2 H -2.756 8.199 0.013 1.00 . A A . 10 GLY HA2 1 1
2 641 1 1 10 GLY HA3 H -3.257 9.573 -0.958 1.00 . A A . 10 GLY HA3 1 1
2 642 1 1 10 GLY N N -1.513 8.654 -1.575 1.00 . A A . 10 GLY N 1 1
2 643 1 1 10 GLY O O -4.818 8.125 -2.255 1.00 . A A . 10 GLY O 1 1
2 644 1 1 11 LYS C C -4.817 4.474 -1.718 1.00 . A A . 11 LYS C 1 1
2 645 1 1 11 LYS CA C -4.181 5.470 -2.681 1.00 . A A . 11 LYS CA 1 1
2 646 1 1 11 LYS CB C -3.315 4.728 -3.704 1.00 . A A . 11 LYS CB 1 1
2 647 1 1 11 LYS CD C -1.781 4.860 -5.690 1.00 . A A . 11 LYS CD 1 1
2 648 1 1 11 LYS CE C -2.547 3.830 -6.511 1.00 . A A . 11 LYS CE 1 1
2 649 1 1 11 LYS CG C -2.692 5.636 -4.753 1.00 . A A . 11 LYS CG 1 1
2 650 1 1 11 LYS H H -2.527 6.146 -1.556 1.00 . A A . 11 LYS H 1 1
2 651 1 1 11 LYS HA H -4.959 6.010 -3.196 1.00 . A A . 11 LYS HA 1 1
2 652 1 1 11 LYS HB2 H -2.517 4.223 -3.178 1.00 . A A . 11 LYS HB2 1 1
2 653 1 1 11 LYS HB3 H -3.923 3.993 -4.209 1.00 . A A . 11 LYS HB3 1 1
2 654 1 1 11 LYS HD2 H -1.299 5.553 -6.364 1.00 . A A . 11 LYS HD2 1 1
2 655 1 1 11 LYS HD3 H -1.032 4.351 -5.101 1.00 . A A . 11 LYS HD3 1 1
2 656 1 1 11 LYS HE2 H -1.842 3.260 -7.094 1.00 . A A . 11 LYS HE2 1 1
2 657 1 1 11 LYS HE3 H -3.070 3.169 -5.836 1.00 . A A . 11 LYS HE3 1 1
2 658 1 1 11 LYS HG2 H -3.479 6.095 -5.331 1.00 . A A . 11 LYS HG2 1 1
2 659 1 1 11 LYS HG3 H -2.114 6.403 -4.255 1.00 . A A . 11 LYS HG3 1 1
2 660 1 1 11 LYS HZ1 H -4.245 4.990 -6.886 1.00 . A A . 11 LYS HZ1 1 1
2 661 1 1 11 LYS HZ2 H -4.011 3.731 -7.991 1.00 . A A . 11 LYS HZ2 1 1
2 662 1 1 11 LYS HZ3 H -3.048 5.116 -8.076 1.00 . A A . 11 LYS HZ3 1 1
2 663 1 1 11 LYS N N -3.376 6.433 -1.946 1.00 . A A . 11 LYS N 1 1
2 664 1 1 11 LYS NZ N -3.531 4.461 -7.429 1.00 . A A . 11 LYS NZ 1 1
2 665 1 1 11 LYS O O -4.182 4.064 -0.744 1.00 . A A . 11 LYS O 1 1
2 666 1 1 12 . C C -7.035 1.773 -1.784 1.00 . A A . 12 MMO C 1 1
2 667 1 1 12 . CA C -6.743 3.098 -1.087 1.00 . A A . 12 MMO CA 1 1
2 668 1 1 12 . CB C -8.037 3.787 -0.641 1.00 . A A . 12 MMO CB 1 1
2 669 1 1 12 . CD C -9.104 5.584 0.755 1.00 . A A . 12 MMO CD 1 1
2 670 1 1 12 . CG C -7.806 4.911 0.356 1.00 . A A . 12 MMO CG 1 1
2 671 1 1 12 . CN C -6.800 4.619 -3.131 1.00 . A A . 12 MMO CN 1 1
2 672 1 1 12 . CZ C -10.817 7.043 -0.244 1.00 . A A . 12 MMO CZ 1 1
2 673 1 1 12 . HA H -6.136 2.896 -0.217 1.00 . A A . 12 MMO HA 1 1
2 674 1 1 12 . HC1 H -6.140 4.642 -3.983 1.00 . A A . 12 MMO HC1 1 1
2 675 1 1 12 . HC2 H -7.141 5.620 -2.910 1.00 . A A . 12 MMO HC2 1 1
2 676 1 1 12 . HC3 H -7.648 3.989 -3.354 1.00 . A A . 12 MMO HC3 1 1
2 677 1 1 12 . HCB1 H -8.676 3.051 -0.175 1.00 . A A . 12 MMO HCB1 1 1
2 678 1 1 12 . HCB2 H -8.538 4.194 -1.506 1.00 . A A . 12 MMO HCB2 1 1
2 679 1 1 12 . HCD1 H -8.917 6.224 1.605 1.00 . A A . 12 MMO HCD1 1 1
2 680 1 1 12 . HCD2 H -9.817 4.821 1.030 1.00 . A A . 12 MMO HCD2 1 1
2 681 1 1 12 . HCG1 H -7.150 5.645 -0.091 1.00 . A A . 12 MMO HCG1 1 1
2 682 1 1 12 . HCG2 H -7.339 4.501 1.239 1.00 . A A . 12 MMO HCG2 1 1
2 683 1 1 12 . HE H -9.144 6.448 -1.164 1.00 . A A . 12 MMO HE 1 1
2 684 1 1 12 . HH11 H -12.109 8.269 -1.210 1.00 . A A . 12 MMO HH11 1 1
2 685 1 1 12 . HH12 H -10.690 7.825 -2.109 1.00 . A A . 12 MMO HH12 1 1
2 686 1 1 12 . HH21 H -11.235 6.429 1.642 1.00 . A A . 12 MMO HH21 1 1
2 687 1 1 12 . HH22 H -12.416 7.478 0.924 1.00 . A A . 12 MMO HH22 1 1
2 688 1 1 12 . N N -6.077 4.075 -1.962 1.00 . A A . 12 MMO N 1 1
2 689 1 1 12 . NE N -9.666 6.386 -0.329 1.00 . A A . 12 MMO NE 1 1
2 690 1 1 12 . NH1 N -11.240 7.770 -1.270 1.00 . A A . 12 MMO NH1 1 1
2 691 1 1 12 . NH2 N -11.549 6.977 0.862 1.00 . A A . 12 MMO NH2 1 1
2 692 1 1 12 . O O -7.440 1.726 -2.948 1.00 . A A . 12 MMO O 1 1
2 693 1 1 13 PHE C C -7.849 -1.466 -0.666 1.00 . A A . 13 PHE C 1 1
2 694 1 1 13 PHE CA C -6.947 -0.650 -1.582 1.00 . A A . 13 PHE CA 1 1
2 695 1 1 13 PHE CB C -5.567 -1.309 -1.679 1.00 . A A . 13 PHE CB 1 1
2 696 1 1 13 PHE CD1 C -4.344 -0.870 -3.826 1.00 . A A . 13 PHE CD1 1 1
2 697 1 1 13 PHE CD2 C -3.888 0.532 -1.957 1.00 . A A . 13 PHE CD2 1 1
2 698 1 1 13 PHE CE1 C -3.438 -0.157 -4.585 1.00 . A A . 13 PHE CE1 1 1
2 699 1 1 13 PHE CE2 C -2.980 1.249 -2.709 1.00 . A A . 13 PHE CE2 1 1
2 700 1 1 13 PHE CG C -4.580 -0.533 -2.506 1.00 . A A . 13 PHE CG 1 1
2 701 1 1 13 PHE CZ C -2.755 0.905 -4.026 1.00 . A A . 13 PHE CZ 1 1
2 702 1 1 13 PHE H H -6.546 0.813 -0.116 1.00 . A A . 13 PHE H 1 1
2 703 1 1 13 PHE HA H -7.390 -0.591 -2.564 1.00 . A A . 13 PHE HA 1 1
2 704 1 1 13 PHE HB2 H -5.155 -1.408 -0.688 1.00 . A A . 13 PHE HB2 1 1
2 705 1 1 13 PHE HB3 H -5.673 -2.288 -2.120 1.00 . A A . 13 PHE HB3 1 1
2 706 1 1 13 PHE HD1 H -4.881 -1.698 -4.265 1.00 . A A . 13 PHE HD1 1 1
2 707 1 1 13 PHE HD2 H -4.067 0.805 -0.927 1.00 . A A . 13 PHE HD2 1 1
2 708 1 1 13 PHE HE1 H -3.262 -0.431 -5.612 1.00 . A A . 13 PHE HE1 1 1
2 709 1 1 13 PHE HE2 H -2.447 2.077 -2.266 1.00 . A A . 13 PHE HE2 1 1
2 710 1 1 13 PHE HZ H -2.045 1.464 -4.617 1.00 . A A . 13 PHE HZ 1 1
2 711 1 1 13 PHE N N -6.810 0.698 -1.055 1.00 . A A . 13 PHE N 1 1
2 712 1 1 13 PHE O O -7.847 -1.266 0.546 1.00 . A A . 13 PHE O 1 1
2 713 1 1 14 THR C C -8.900 -4.432 0.102 1.00 . A A . 14 THR C 1 1
2 714 1 1 14 THR CA C -9.559 -3.164 -0.449 1.00 . A A . 14 THR CA 1 1
2 715 1 1 14 THR CB C -10.817 -3.524 -1.277 1.00 . A A . 14 THR CB 1 1
2 716 1 1 14 THR CG2 C -10.479 -4.502 -2.389 1.00 . A A . 14 THR CG2 1 1
2 717 1 1 14 THR H H -8.550 -2.528 -2.206 1.00 . A A . 14 THR H 1 1
2 718 1 1 14 THR HA H -9.870 -2.556 0.387 1.00 . A A . 14 THR HA 1 1
2 719 1 1 14 THR HB H -11.201 -2.619 -1.725 1.00 . A A . 14 THR HB 1 1
2 720 1 1 14 THR HG1 H -11.581 -3.979 0.489 1.00 . A A . 14 THR HG1 1 1
2 721 1 1 14 THR HG21 H -10.128 -5.428 -1.958 1.00 . A A . 14 THR HG21 1 1
2 722 1 1 14 THR HG22 H -9.707 -4.082 -3.015 1.00 . A A . 14 THR HG22 1 1
2 723 1 1 14 THR HG23 H -11.359 -4.693 -2.981 1.00 . A A . 14 THR HG23 1 1
2 724 1 1 14 THR N N -8.615 -2.380 -1.235 1.00 . A A . 14 THR N 1 1
2 725 1 1 14 THR O O -9.494 -5.155 0.901 1.00 . A A . 14 THR O 1 1
2 726 1 1 14 THR OG1 O -11.834 -4.090 -0.438 1.00 . A A . 14 THR OG1 1 1
2 727 1 1 15 ARG C C -5.587 -5.377 0.770 1.00 . A A . 15 ARG C 1 1
2 728 1 1 15 ARG CA C -6.912 -5.833 0.178 1.00 . A A . 15 ARG CA 1 1
2 729 1 1 15 ARG CB C -6.661 -6.845 -0.942 1.00 . A A . 15 ARG CB 1 1
2 730 1 1 15 ARG CD C -7.593 -8.758 -2.292 1.00 . A A . 15 ARG CD 1 1
2 731 1 1 15 ARG CG C -7.920 -7.543 -1.432 1.00 . A A . 15 ARG CG 1 1
2 732 1 1 15 ARG CZ C -6.083 -9.251 -4.185 1.00 . A A . 15 ARG CZ 1 1
2 733 1 1 15 ARG H H -7.245 -4.089 -0.965 1.00 . A A . 15 ARG H 1 1
2 734 1 1 15 ARG HA H -7.497 -6.301 0.954 1.00 . A A . 15 ARG HA 1 1
2 735 1 1 15 ARG HB2 H -6.214 -6.331 -1.778 1.00 . A A . 15 ARG HB2 1 1
2 736 1 1 15 ARG HB3 H -5.974 -7.595 -0.585 1.00 . A A . 15 ARG HB3 1 1
2 737 1 1 15 ARG HD2 H -6.987 -9.438 -1.713 1.00 . A A . 15 ARG HD2 1 1
2 738 1 1 15 ARG HD3 H -8.515 -9.248 -2.564 1.00 . A A . 15 ARG HD3 1 1
2 739 1 1 15 ARG HE H -6.984 -7.478 -3.858 1.00 . A A . 15 ARG HE 1 1
2 740 1 1 15 ARG HG2 H -8.498 -7.864 -0.578 1.00 . A A . 15 ARG HG2 1 1
2 741 1 1 15 ARG HG3 H -8.500 -6.846 -2.018 1.00 . A A . 15 ARG HG3 1 1
2 742 1 1 15 ARG HH11 H -6.319 -10.781 -2.874 1.00 . A A . 15 ARG HH11 1 1
2 743 1 1 15 ARG HH12 H -5.296 -11.122 -4.233 1.00 . A A . 15 ARG HH12 1 1
2 744 1 1 15 ARG HH21 H -5.633 -7.933 -5.661 1.00 . A A . 15 ARG HH21 1 1
2 745 1 1 15 ARG HH22 H -4.893 -9.495 -5.815 1.00 . A A . 15 ARG HH22 1 1
2 746 1 1 15 ARG N N -7.665 -4.688 -0.315 1.00 . A A . 15 ARG N 1 1
2 747 1 1 15 ARG NE N -6.868 -8.403 -3.512 1.00 . A A . 15 ARG NE 1 1
2 748 1 1 15 ARG NH1 N -5.883 -10.482 -3.727 1.00 . A A . 15 ARG NH1 1 1
2 749 1 1 15 ARG NH2 N -5.492 -8.861 -5.311 1.00 . A A . 15 ARG NH2 1 1
2 750 1 1 15 ARG O O -4.821 -4.654 0.128 1.00 . A A . 15 ARG O 1 1
2 751 1 1 16 SER C C -2.884 -5.889 2.036 1.00 . A A . 16 SER C 1 1
2 752 1 1 16 SER CA C -4.145 -5.420 2.747 1.00 . A A . 16 SER CA 1 1
2 753 1 1 16 SER CB C -4.209 -5.984 4.170 1.00 . A A . 16 SER CB 1 1
2 754 1 1 16 SER H H -5.967 -6.439 2.417 1.00 . A A . 16 SER H 1 1
2 755 1 1 16 SER HA H -4.132 -4.342 2.796 1.00 . A A . 16 SER HA 1 1
2 756 1 1 16 SER HB2 H -5.163 -5.733 4.610 1.00 . A A . 16 SER HB2 1 1
2 757 1 1 16 SER HB3 H -4.104 -7.058 4.131 1.00 . A A . 16 SER HB3 1 1
2 758 1 1 16 SER HG H -2.427 -5.202 4.437 1.00 . A A . 16 SER HG 1 1
2 759 1 1 16 SER N N -5.332 -5.817 2.000 1.00 . A A . 16 SER N 1 1
2 760 1 1 16 SER O O -1.884 -5.177 2.001 1.00 . A A . 16 SER O 1 1
2 761 1 1 16 SER OG O -3.181 -5.454 4.989 1.00 . A A . 16 SER OG 1 1
2 762 1 1 17 . C C -1.840 -6.742 -1.623 1.00 . A A . 17 B3D C 1 1
2 763 1 1 17 . CA C -2.198 -7.873 -0.703 1.00 . A A . 17 B3D CA 1 1
2 764 1 1 17 . CB C -1.805 -7.605 0.742 1.00 . A A . 17 B3D CB 1 1
2 765 1 1 17 . CD C -0.506 -8.772 2.597 1.00 . A A . 17 B3D CD 1 1
2 766 1 1 17 . CG C -1.333 -8.942 1.336 1.00 . A A . 17 B3D CG 1 1
2 767 1 1 17 . H H -3.741 -7.635 1.563 1.00 . A A . 17 B3D H 1 1
2 768 1 1 17 . HA1 H -1.692 -8.762 -1.045 1.00 . A A . 17 B3D HA1 1 1
2 769 1 1 17 . HA2 H -3.266 -8.028 -0.756 1.00 . A A . 17 B3D HA2 1 1
2 770 1 1 17 . HB H -1.026 -6.820 0.783 1.00 . A A . 17 B3D HB 1 1
2 771 1 1 17 . HG2 H -0.733 -9.463 0.605 1.00 . A A . 17 B3D HG2 1 1
2 772 1 1 17 . HG3 H -2.194 -9.544 1.575 1.00 . A A . 17 B3D HG3 1 1
2 773 1 1 17 . N N -2.927 -7.090 1.477 1.00 . A A . 17 B3D N 1 1
2 774 1 1 17 . O O -0.670 -6.484 -1.892 1.00 . A A . 17 B3D O 1 1
2 775 1 1 17 . OE1 O -1.087 -8.816 3.705 1.00 . A A . 17 B3D OE1 1 1
2 776 1 1 17 . OE2 O 0.729 -8.609 2.485 1.00 . A A . 17 B3D OE2 1 1
2 777 1 1 18 GLU C C -2.088 -3.712 -2.324 1.00 . A A . 18 GLU C 1 1
2 778 1 1 18 GLU CA C -2.692 -4.933 -3.005 1.00 . A A . 18 GLU CA 1 1
2 779 1 1 18 GLU CB C -4.037 -4.573 -3.631 1.00 . A A . 18 GLU CB 1 1
2 780 1 1 18 GLU CD C -6.024 -5.377 -4.962 1.00 . A A . 18 GLU CD 1 1
2 781 1 1 18 GLU CG C -4.638 -5.700 -4.450 1.00 . A A . 18 GLU CG 1 1
2 782 1 1 18 GLU H H -3.764 -6.247 -1.759 1.00 . A A . 18 GLU H 1 1
2 783 1 1 18 GLU HA H -2.022 -5.263 -3.784 1.00 . A A . 18 GLU HA 1 1
2 784 1 1 18 GLU HB2 H -4.732 -4.320 -2.842 1.00 . A A . 18 GLU HB2 1 1
2 785 1 1 18 GLU HB3 H -3.906 -3.716 -4.274 1.00 . A A . 18 GLU HB3 1 1
2 786 1 1 18 GLU HG2 H -3.995 -5.898 -5.293 1.00 . A A . 18 GLU HG2 1 1
2 787 1 1 18 GLU HG3 H -4.697 -6.583 -3.832 1.00 . A A . 18 GLU HG3 1 1
2 788 1 1 18 GLU N N -2.864 -6.029 -2.070 1.00 . A A . 18 GLU N 1 1
2 789 1 1 18 GLU O O -1.296 -2.993 -2.925 1.00 . A A . 18 GLU O 1 1
2 790 1 1 18 GLU OE1 O -7.007 -5.859 -4.369 1.00 . A A . 18 GLU OE1 1 1
2 791 1 1 18 GLU OE2 O -6.136 -4.643 -5.965 1.00 . A A . 18 GLU OE2 1 1
2 792 1 1 19 LEU C C -0.462 -2.482 -0.063 1.00 . A A . 19 LEU C 1 1
2 793 1 1 19 LEU CA C -1.960 -2.338 -0.321 1.00 . A A . 19 LEU CA 1 1
2 794 1 1 19 LEU CB C -2.743 -2.190 0.999 1.00 . A A . 19 LEU CB 1 1
2 795 1 1 19 LEU CD1 C -1.193 -1.368 2.822 1.00 . A A . 19 LEU CD1 1 1
2 796 1 1 19 LEU CD2 C -2.045 0.243 1.114 1.00 . A A . 19 LEU CD2 1 1
2 797 1 1 19 LEU CG C -2.363 -1.010 1.919 1.00 . A A . 19 LEU CG 1 1
2 798 1 1 19 LEU H H -3.104 -4.092 -0.640 1.00 . A A . 19 LEU H 1 1
2 799 1 1 19 LEU HA H -2.121 -1.459 -0.922 1.00 . A A . 19 LEU HA 1 1
2 800 1 1 19 LEU HB2 H -3.789 -2.094 0.754 1.00 . A A . 19 LEU HB2 1 1
2 801 1 1 19 LEU HB3 H -2.615 -3.104 1.562 1.00 . A A . 19 LEU HB3 1 1
2 802 1 1 19 LEU HD11 H -0.942 -0.519 3.440 1.00 . A A . 19 LEU HD11 1 1
2 803 1 1 19 LEU HD12 H -0.341 -1.641 2.217 1.00 . A A . 19 LEU HD12 1 1
2 804 1 1 19 LEU HD13 H -1.469 -2.202 3.452 1.00 . A A . 19 LEU HD13 1 1
2 805 1 1 19 LEU HD21 H -1.262 0.028 0.402 1.00 . A A . 19 LEU HD21 1 1
2 806 1 1 19 LEU HD22 H -1.716 1.026 1.783 1.00 . A A . 19 LEU HD22 1 1
2 807 1 1 19 LEU HD23 H -2.929 0.569 0.592 1.00 . A A . 19 LEU HD23 1 1
2 808 1 1 19 LEU HG H -3.207 -0.785 2.555 1.00 . A A . 19 LEU HG 1 1
2 809 1 1 19 LEU N N -2.464 -3.483 -1.072 1.00 . A A . 19 LEU N 1 1
2 810 1 1 19 LEU O O 0.323 -1.614 -0.436 1.00 . A A . 19 LEU O 1 1
2 811 1 1 20 GLN C C 2.169 -4.167 -0.274 1.00 . A A . 20 GLN C 1 1
2 812 1 1 20 GLN CA C 1.318 -3.789 0.934 1.00 . A A . 20 GLN CA 1 1
2 813 1 1 20 GLN CB C 1.426 -4.867 2.013 1.00 . A A . 20 GLN CB 1 1
2 814 1 1 20 GLN CD C 2.909 -6.008 3.721 1.00 . A A . 20 GLN CD 1 1
2 815 1 1 20 GLN CG C 2.842 -5.066 2.534 1.00 . A A . 20 GLN CG 1 1
2 816 1 1 20 GLN H H -0.741 -4.266 0.790 1.00 . A A . 20 GLN H 1 1
2 817 1 1 20 GLN HA H 1.688 -2.860 1.335 1.00 . A A . 20 GLN HA 1 1
2 818 1 1 20 GLN HB2 H 0.793 -4.595 2.842 1.00 . A A . 20 GLN HB2 1 1
2 819 1 1 20 GLN HB3 H 1.083 -5.804 1.603 1.00 . A A . 20 GLN HB3 1 1
2 820 1 1 20 GLN HE21 H 1.121 -5.408 4.342 1.00 . A A . 20 GLN HE21 1 1
2 821 1 1 20 GLN HE22 H 1.894 -6.609 5.318 1.00 . A A . 20 GLN HE22 1 1
2 822 1 1 20 GLN HG2 H 3.450 -5.472 1.739 1.00 . A A . 20 GLN HG2 1 1
2 823 1 1 20 GLN HG3 H 3.238 -4.107 2.833 1.00 . A A . 20 GLN HG3 1 1
2 824 1 1 20 GLN N N -0.072 -3.582 0.560 1.00 . A A . 20 GLN N 1 1
2 825 1 1 20 GLN NE2 N 1.871 -6.008 4.541 1.00 . A A . 20 GLN NE2 1 1
2 826 1 1 20 GLN O O 3.299 -3.704 -0.416 1.00 . A A . 20 GLN O 1 1
2 827 1 1 20 GLN OE1 O 3.894 -6.726 3.907 1.00 . A A . 20 GLN OE1 1 1
2 828 1 1 21 . C C 2.153 -3.562 -4.029 1.00 . A A . 21 HMR C 1 1
2 829 1 1 21 . CA C 2.363 -5.418 -2.313 1.00 . A A . 21 HMR CA 1 1
2 830 1 1 21 . CB C 2.341 -6.953 -2.347 1.00 . A A . 21 HMR CB 1 1
2 831 1 1 21 . CD C 2.311 -9.074 -0.992 1.00 . A A . 21 HMR CD 1 1
2 832 1 1 21 . CG C 2.576 -7.580 -0.983 1.00 . A A . 21 HMR CG 1 1
2 833 1 1 21 . CH2 C 1.708 -4.935 -3.611 1.00 . A A . 21 HMR CH2 1 1
2 834 1 1 21 . CZ C 2.602 -10.842 0.704 1.00 . A A . 21 HMR CZ 1 1
2 835 1 1 21 . H H 0.707 -5.319 -1.019 1.00 . A A . 21 HMR H 1 1
2 836 1 1 21 . HA H 3.384 -4.996 -2.208 1.00 . A A . 21 HMR HA 1 1
2 837 1 1 21 . HB2 H 3.109 -7.300 -3.019 1.00 . A A . 21 HMR HB2 1 1
2 838 1 1 21 . HB3 H 1.377 -7.277 -2.709 1.00 . A A . 21 HMR HB3 1 1
2 839 1 1 21 . HC1 H 1.955 -5.626 -4.402 1.00 . A A . 21 HMR HC1 1 1
2 840 1 1 21 . HC2 H 0.636 -4.915 -3.478 1.00 . A A . 21 HMR HC2 1 1
2 841 1 1 21 . HD2 H 3.112 -9.569 -1.520 1.00 . A A . 21 HMR HD2 1 1
2 842 1 1 21 . HD3 H 1.375 -9.260 -1.499 1.00 . A A . 21 HMR HD3 1 1
2 843 1 1 21 . HE H 1.860 -9.019 1.065 1.00 . A A . 21 HMR HE 1 1
2 844 1 1 21 . HG2 H 1.916 -7.112 -0.267 1.00 . A A . 21 HMR HG2 1 1
2 845 1 1 21 . HG3 H 3.602 -7.410 -0.691 1.00 . A A . 21 HMR HG3 1 1
2 846 1 1 21 . HH1 H 3.160 -11.386 -1.167 1.00 . A A . 21 HMR HH1 1 1
2 847 1 1 21 . HH2 H 3.356 -12.606 0.048 1.00 . A A . 21 HMR HH2 1 1
2 848 1 1 21 . HH21 H 2.772 -12.162 2.233 1.00 . A A . 21 HMR HH21 1 1
2 849 1 1 21 . HH22 H 2.135 -10.607 2.662 1.00 . A A . 21 HMR HH22 1 1
2 850 1 1 21 . N N 1.627 -4.994 -1.154 1.00 . A A . 21 HMR N 1 1
2 851 1 1 21 . NE N 2.232 -9.612 0.364 1.00 . A A . 21 HMR NE 1 1
2 852 1 1 21 . NH1 N 3.078 -11.678 -0.213 1.00 . A A . 21 HMR NH1 1 1
2 853 1 1 21 . NH2 N 2.495 -11.236 1.966 1.00 . A A . 21 HMR NH2 1 1
2 854 1 1 21 . O O 3.178 -3.391 -4.692 1.00 . A A . 21 HMR O 1 1
2 855 1 1 22 HIS C C 2.800 -0.652 -3.062 1.00 . A A . 22 HIS C 1 1
2 856 1 1 22 HIS CA C 1.658 -1.184 -3.929 1.00 . A A . 22 HIS CA 1 1
2 857 1 1 22 HIS CB C 0.395 -0.332 -3.745 1.00 . A A . 22 HIS CB 1 1
2 858 1 1 22 HIS CD2 C 0.992 1.882 -2.582 1.00 . A A . 22 HIS CD2 1 1
2 859 1 1 22 HIS CE1 C 1.116 3.200 -4.306 1.00 . A A . 22 HIS CE1 1 1
2 860 1 1 22 HIS CG C 0.675 1.135 -3.664 1.00 . A A . 22 HIS CG 1 1
2 861 1 1 22 HIS H H 0.559 -2.788 -3.115 1.00 . A A . 22 HIS H 1 1
2 862 1 1 22 HIS HA H 1.962 -1.131 -4.962 1.00 . A A . 22 HIS HA 1 1
2 863 1 1 22 HIS HB2 H -0.269 -0.499 -4.580 1.00 . A A . 22 HIS HB2 1 1
2 864 1 1 22 HIS HB3 H -0.100 -0.628 -2.831 1.00 . A A . 22 HIS HB3 1 1
2 865 1 1 22 HIS HD1 H 0.562 1.753 -5.695 1.00 . A A . 22 HIS HD1 1 1
2 866 1 1 22 HIS HD2 H 1.015 1.547 -1.555 1.00 . A A . 22 HIS HD2 1 1
2 867 1 1 22 HIS HE1 H 1.270 4.075 -4.919 1.00 . A A . 22 HIS HE1 1 1
2 868 1 1 22 HIS N N 1.369 -2.573 -3.628 1.00 . A A . 22 HIS N 1 1
2 869 1 1 22 HIS ND1 N 0.744 1.990 -4.759 1.00 . A A . 22 HIS ND1 1 1
2 870 1 1 22 HIS NE2 N 1.268 3.153 -3.008 1.00 . A A . 22 HIS NE2 1 1
2 871 1 1 22 HIS O O 3.779 -0.127 -3.589 1.00 . A A . 22 HIS O 1 1
2 872 1 1 23 LYS C C 5.053 -0.677 -1.197 1.00 . A A . 23 LYS C 1 1
2 873 1 1 23 LYS CA C 3.650 -0.250 -0.793 1.00 . A A . 23 LYS CA 1 1
2 874 1 1 23 LYS CB C 3.342 -0.727 0.629 1.00 . A A . 23 LYS CB 1 1
2 875 1 1 23 LYS CD C 3.678 1.363 2.008 1.00 . A A . 23 LYS CD 1 1
2 876 1 1 23 LYS CE C 2.293 1.350 2.647 1.00 . A A . 23 LYS CE 1 1
2 877 1 1 23 LYS CG C 4.175 -0.046 1.706 1.00 . A A . 23 LYS CG 1 1
2 878 1 1 23 LYS H H 1.885 -1.273 -1.387 1.00 . A A . 23 LYS H 1 1
2 879 1 1 23 LYS HA H 3.589 0.826 -0.829 1.00 . A A . 23 LYS HA 1 1
2 880 1 1 23 LYS HB2 H 2.301 -0.541 0.840 1.00 . A A . 23 LYS HB2 1 1
2 881 1 1 23 LYS HB3 H 3.525 -1.790 0.685 1.00 . A A . 23 LYS HB3 1 1
2 882 1 1 23 LYS HD2 H 4.370 1.842 2.686 1.00 . A A . 23 LYS HD2 1 1
2 883 1 1 23 LYS HD3 H 3.631 1.922 1.086 1.00 . A A . 23 LYS HD3 1 1
2 884 1 1 23 LYS HE2 H 1.583 0.946 1.938 1.00 . A A . 23 LYS HE2 1 1
2 885 1 1 23 LYS HE3 H 2.321 0.721 3.524 1.00 . A A . 23 LYS HE3 1 1
2 886 1 1 23 LYS HG2 H 4.127 -0.635 2.609 1.00 . A A . 23 LYS HG2 1 1
2 887 1 1 23 LYS HG3 H 5.200 0.011 1.368 1.00 . A A . 23 LYS HG3 1 1
2 888 1 1 23 LYS HZ1 H 2.545 3.139 3.691 1.00 . A A . 23 LYS HZ1 1 1
2 889 1 1 23 LYS HZ2 H 0.934 2.668 3.524 1.00 . A A . 23 LYS HZ2 1 1
2 890 1 1 23 LYS HZ3 H 1.763 3.321 2.201 1.00 . A A . 23 LYS HZ3 1 1
2 891 1 1 23 LYS N N 2.667 -0.791 -1.739 1.00 . A A . 23 LYS N 1 1
2 892 1 1 23 LYS NZ N 1.853 2.715 3.042 1.00 . A A . 23 LYS NZ 1 1
2 893 1 1 23 LYS O O 6.003 0.112 -1.158 1.00 . A A . 23 LYS O 1 1
2 894 1 1 24 . C C 7.216 -1.334 -4.182 1.00 . A A . 24 HMR C 1 1
2 895 1 1 24 . CA C 6.423 -2.459 -2.039 1.00 . A A . 24 HMR CA 1 1
2 896 1 1 24 . CB C 6.545 -3.903 -1.533 1.00 . A A . 24 HMR CB 1 1
2 897 1 1 24 . CD C 7.900 -5.993 -1.290 1.00 . A A . 24 HMR CD 1 1
2 898 1 1 24 . CG C 7.847 -4.599 -1.891 1.00 . A A . 24 HMR CG 1 1
2 899 1 1 24 . CH2 C 6.457 -2.488 -3.568 1.00 . A A . 24 HMR CH2 1 1
2 900 1 1 24 . CZ C 9.655 -7.666 -0.848 1.00 . A A . 24 HMR CZ 1 1
2 901 1 1 24 . H H 4.382 -2.520 -1.559 1.00 . A A . 24 HMR H 1 1
2 902 1 1 24 . HA H 7.211 -1.793 -1.646 1.00 . A A . 24 HMR HA 1 1
2 903 1 1 24 . HB2 H 5.731 -4.480 -1.945 1.00 . A A . 24 HMR HB2 1 1
2 904 1 1 24 . HB3 H 6.457 -3.897 -0.458 1.00 . A A . 24 HMR HB3 1 1
2 905 1 1 24 . HC1 H 6.922 -3.403 -3.889 1.00 . A A . 24 HMR HC1 1 1
2 906 1 1 24 . HC2 H 5.444 -2.460 -3.940 1.00 . A A . 24 HMR HC2 1 1
2 907 1 1 24 . HD2 H 7.083 -6.576 -1.691 1.00 . A A . 24 HMR HD2 1 1
2 908 1 1 24 . HD3 H 7.790 -5.912 -0.219 1.00 . A A . 24 HMR HD3 1 1
2 909 1 1 24 . HE H 9.663 -6.370 -2.374 1.00 . A A . 24 HMR HE 1 1
2 910 1 1 24 . HG2 H 8.674 -4.020 -1.510 1.00 . A A . 24 HMR HG2 1 1
2 911 1 1 24 . HG3 H 7.922 -4.678 -2.965 1.00 . A A . 24 HMR HG3 1 1
2 912 1 1 24 . HH1 H 11.296 -7.918 -2.005 1.00 . A A . 24 HMR HH1 1 1
2 913 1 1 24 . HH2 H 11.181 -8.983 -0.641 1.00 . A A . 24 HMR HH2 1 1
2 914 1 1 24 . HH21 H 8.128 -7.674 0.484 1.00 . A A . 24 HMR HH21 1 1
2 915 1 1 24 . HH22 H 9.375 -8.844 0.780 1.00 . A A . 24 HMR HH22 1 1
2 916 1 1 24 . N N 5.173 -1.931 -1.588 1.00 . A A . 24 HMR N 1 1
2 917 1 1 24 . NE N 9.159 -6.674 -1.583 1.00 . A A . 24 HMR NE 1 1
2 918 1 1 24 . NH1 N 10.802 -8.234 -1.192 1.00 . A A . 24 HMR NH1 1 1
2 919 1 1 24 . NH2 N 9.000 -8.095 0.225 1.00 . A A . 24 HMR NH2 1 1
2 920 1 1 24 . O O 8.420 -1.427 -4.441 1.00 . A A . 24 HMR O 1 1
2 921 1 1 25 THR C C 7.824 1.849 -4.134 1.00 . A A . 25 THR C 1 1
2 922 1 1 25 THR CA C 7.070 0.923 -5.093 1.00 . A A . 25 THR CA 1 1
2 923 1 1 25 THR CB C 5.984 1.725 -5.861 1.00 . A A . 25 THR CB 1 1
2 924 1 1 25 THR CG2 C 4.975 2.364 -4.914 1.00 . A A . 25 THR CG2 1 1
2 925 1 1 25 THR H H 5.569 -0.200 -4.106 1.00 . A A . 25 THR H 1 1
2 926 1 1 25 THR HA H 7.772 0.547 -5.819 1.00 . A A . 25 THR HA 1 1
2 927 1 1 25 THR HB H 5.457 1.043 -6.512 1.00 . A A . 25 THR HB 1 1
2 928 1 1 25 THR HG1 H 7.097 2.342 -7.373 1.00 . A A . 25 THR HG1 1 1
2 929 1 1 25 THR HG21 H 4.466 1.595 -4.351 1.00 . A A . 25 THR HG21 1 1
2 930 1 1 25 THR HG22 H 4.254 2.927 -5.486 1.00 . A A . 25 THR HG22 1 1
2 931 1 1 25 THR HG23 H 5.490 3.027 -4.235 1.00 . A A . 25 THR HG23 1 1
2 932 1 1 25 THR N N 6.506 -0.231 -4.407 1.00 . A A . 25 THR N 1 1
2 933 1 1 25 THR O O 8.796 2.495 -4.527 1.00 . A A . 25 THR O 1 1
2 934 1 1 25 THR OG1 O 6.594 2.751 -6.656 1.00 . A A . 25 THR OG1 1 1
2 935 1 1 26 HIS C C 9.157 1.946 -1.210 1.00 . A A . 26 HIS C 1 1
2 936 1 1 26 HIS CA C 8.074 2.753 -1.903 1.00 . A A . 26 HIS CA 1 1
2 937 1 1 26 HIS CB C 7.119 3.298 -0.835 1.00 . A A . 26 HIS CB 1 1
2 938 1 1 26 HIS CD2 C 4.605 3.666 -1.218 1.00 . A A . 26 HIS CD2 1 1
2 939 1 1 26 HIS CE1 C 4.634 5.584 -2.248 1.00 . A A . 26 HIS CE1 1 1
2 940 1 1 26 HIS CG C 5.906 4.010 -1.348 1.00 . A A . 26 HIS CG 1 1
2 941 1 1 26 HIS H H 6.616 1.377 -2.600 1.00 . A A . 26 HIS H 1 1
2 942 1 1 26 HIS HA H 8.529 3.577 -2.430 1.00 . A A . 26 HIS HA 1 1
2 943 1 1 26 HIS HB2 H 6.774 2.473 -0.230 1.00 . A A . 26 HIS HB2 1 1
2 944 1 1 26 HIS HB3 H 7.663 3.988 -0.206 1.00 . A A . 26 HIS HB3 1 1
2 945 1 1 26 HIS HD1 H 6.715 5.750 -2.265 1.00 . A A . 26 HIS HD1 1 1
2 946 1 1 26 HIS HD2 H 4.225 2.770 -0.758 1.00 . A A . 26 HIS HD2 1 1
2 947 1 1 26 HIS HE1 H 4.316 6.492 -2.738 1.00 . A A . 26 HIS HE1 1 1
2 948 1 1 26 HIS N N 7.392 1.912 -2.878 1.00 . A A . 26 HIS N 1 1
2 949 1 1 26 HIS ND1 N 5.918 5.234 -2.013 1.00 . A A . 26 HIS ND1 1 1
2 950 1 1 26 HIS NE2 N 3.837 4.659 -1.778 1.00 . A A . 26 HIS NE2 1 1
2 951 1 1 26 HIS O O 10.268 2.424 -0.984 1.00 . A A . 26 HIS O 1 1
2 952 1 1 27 . C C 11.628 -1.705 -0.945 1.00 . A A . 27 B3T C 1 1
2 953 1 1 27 . CA C 10.173 -1.316 -1.132 1.00 . A A . 27 B3T CA 1 1
2 954 1 1 27 . CB C 9.741 -0.185 -0.195 1.00 . A A . 27 B3T CB 1 1
2 955 1 1 27 . CD2 C 8.916 0.335 2.131 1.00 . A A . 27 B3T CD2 1 1
2 956 1 1 27 . CG C 9.119 -0.756 1.089 1.00 . A A . 27 B3T CG 1 1
2 957 1 1 27 . H1D2 H 8.462 -0.091 3.013 1.00 . A A . 27 B3T H1D2 1 1
2 958 1 1 27 . H2D2 H 8.270 1.100 1.728 1.00 . A A . 27 B3T H2D2 1 1
2 959 1 1 27 . H3D2 H 9.871 0.769 2.389 1.00 . A A . 27 B3T H3D2 1 1
2 960 1 1 27 . HA H 10.033 -1.000 -2.154 1.00 . A A . 27 B3T HA 1 1
2 961 1 1 27 . HAA H 9.559 -2.182 -0.940 1.00 . A A . 27 B3T HAA 1 1
2 962 1 1 27 . HB H 10.606 0.384 0.091 1.00 . A A . 27 B3T HB 1 1
2 963 1 1 27 . HG H 9.792 -1.498 1.493 1.00 . A A . 27 B3T HG 1 1
2 964 1 1 27 . HN H 7.909 0.396 -1.083 1.00 . A A . 27 B3T HN 1 1
2 965 1 1 27 . HOD1 H 7.313 -0.769 0.286 1.00 . A A . 27 B3T HOD1 1 1
2 966 1 1 27 . N N 8.815 0.712 -0.874 1.00 . A A . 27 B3T N 1 1
2 967 1 1 27 . O O 12.484 -0.854 -0.692 1.00 . A A . 27 B3T O 1 1
2 968 1 1 27 . OD1 O 7.862 -1.377 0.793 1.00 . A A . 27 B3T OD1 1 1
2 969 1 1 28 GLY C C 13.636 -3.635 0.580 1.00 . A A . 28 GLY C 1 1
2 970 1 1 28 GLY CA C 13.265 -3.490 -0.881 1.00 . A A . 28 GLY CA 1 1
2 971 1 1 28 GLY H H 11.193 -3.629 -1.287 1.00 . A A . 28 GLY H 1 1
2 972 1 1 28 GLY HA2 H 13.354 -4.452 -1.361 1.00 . A A . 28 GLY HA2 1 1
2 973 1 1 28 GLY HA3 H 13.951 -2.802 -1.350 1.00 . A A . 28 GLY HA3 1 1
2 974 1 1 28 GLY N N 11.911 -2.998 -1.061 1.00 . A A . 28 GLY N 1 1
2 975 1 1 28 GLY O O 13.835 -4.747 1.075 1.00 . A A . 28 GLY O 1 1
2 976 1 1 29 GLU C C 12.981 -3.058 3.570 1.00 . A A . 29 GLU C 1 1
2 977 1 1 29 GLU CA C 14.088 -2.491 2.685 1.00 . A A . 29 GLU CA 1 1
2 978 1 1 29 GLU CB C 14.435 -1.061 3.110 1.00 . A A . 29 GLU CB 1 1
2 979 1 1 29 GLU CD C 13.776 1.364 3.004 1.00 . A A . 29 GLU CD 1 1
2 980 1 1 29 GLU CG C 13.305 -0.069 2.905 1.00 . A A . 29 GLU CG 1 1
2 981 1 1 29 GLU H H 13.485 -1.662 0.832 1.00 . A A . 29 GLU H 1 1
2 982 1 1 29 GLU HA H 14.966 -3.109 2.790 1.00 . A A . 29 GLU HA 1 1
2 983 1 1 29 GLU HB2 H 14.693 -1.062 4.159 1.00 . A A . 29 GLU HB2 1 1
2 984 1 1 29 GLU HB3 H 15.288 -0.724 2.541 1.00 . A A . 29 GLU HB3 1 1
2 985 1 1 29 GLU HG2 H 12.876 -0.225 1.927 1.00 . A A . 29 GLU HG2 1 1
2 986 1 1 29 GLU HG3 H 12.553 -0.240 3.660 1.00 . A A . 29 GLU HG3 1 1
2 987 1 1 29 GLU N N 13.700 -2.510 1.278 1.00 . A A . 29 GLU N 1 1
2 988 1 1 29 GLU O O 13.202 -3.364 4.739 1.00 . A A . 29 GLU O 1 1
2 989 1 1 29 GLU OE1 O 13.845 1.904 4.128 1.00 . A A . 29 GLU OE1 1 1
2 990 1 1 29 GLU OE2 O 14.092 1.957 1.954 1.00 . A A . 29 GLU OE2 1 1
2 991 1 1 30 LYS C C 9.806 -4.601 2.790 1.00 . A A . 30 LYS C 1 1
2 992 1 1 30 LYS CA C 10.660 -3.750 3.724 1.00 . A A . 30 LYS CA 1 1
2 993 1 1 30 LYS CB C 9.828 -2.619 4.340 1.00 . A A . 30 LYS CB 1 1
2 994 1 1 30 LYS CD C 7.896 -1.931 5.783 1.00 . A A . 30 LYS CD 1 1
2 995 1 1 30 LYS CE C 6.717 -2.405 6.614 1.00 . A A . 30 LYS CE 1 1
2 996 1 1 30 LYS CG C 8.669 -3.101 5.195 1.00 . A A . 30 LYS CG 1 1
2 997 1 1 30 LYS H H 11.682 -2.941 2.065 1.00 . A A . 30 LYS H 1 1
2 998 1 1 30 LYS HA H 11.044 -4.379 4.516 1.00 . A A . 30 LYS HA 1 1
2 999 1 1 30 LYS HB2 H 10.472 -2.011 4.958 1.00 . A A . 30 LYS HB2 1 1
2 1000 1 1 30 LYS HB3 H 9.429 -2.009 3.546 1.00 . A A . 30 LYS HB3 1 1
2 1001 1 1 30 LYS HD2 H 8.557 -1.354 6.412 1.00 . A A . 30 LYS HD2 1 1
2 1002 1 1 30 LYS HD3 H 7.529 -1.312 4.976 1.00 . A A . 30 LYS HD3 1 1
2 1003 1 1 30 LYS HE2 H 7.082 -3.060 7.390 1.00 . A A . 30 LYS HE2 1 1
2 1004 1 1 30 LYS HE3 H 6.241 -1.547 7.062 1.00 . A A . 30 LYS HE3 1 1
2 1005 1 1 30 LYS HG2 H 8.004 -3.693 4.586 1.00 . A A . 30 LYS HG2 1 1
2 1006 1 1 30 LYS HG3 H 9.058 -3.707 6.002 1.00 . A A . 30 LYS HG3 1 1
2 1007 1 1 30 LYS HZ1 H 5.349 -2.522 5.040 1.00 . A A . 30 LYS HZ1 1 1
2 1008 1 1 30 LYS HZ2 H 4.927 -3.453 6.389 1.00 . A A . 30 LYS HZ2 1 1
2 1009 1 1 30 LYS HZ3 H 6.159 -3.971 5.358 1.00 . A A . 30 LYS HZ3 1 1
2 1010 1 1 30 LYS N N 11.794 -3.203 2.999 1.00 . A A . 30 LYS N 1 1
2 1011 1 1 30 LYS NZ N 5.719 -3.140 5.794 1.00 . A A . 30 LYS NZ 1 1
2 1012 1 1 30 LYS O O 8.933 -4.097 2.089 1.00 . A A . 30 LYS O 1 1
2 1013 1 1 31 NH2 HN1 H 10.797 -6.225 3.347 1.00 . A A . 31 NH2 HN1 1 1
2 1014 1 1 31 NH2 HN2 H 9.573 -6.461 2.151 1.00 . A A . 31 NH2 HN2 1 1
2 1015 1 1 31 NH2 N N 10.085 -5.891 2.759 1.00 . A A . 31 NH2 N 1 1
2 1016 2 2 1 ZN ZN ZN 1.842 4.639 -1.822 1.00 . B A . 101 ZN ZN 1 1
3 1017 1 1 1 PRO C C -9.053 0.037 3.798 1.00 . A A . 1 PRO C 1 1
3 1018 1 1 1 PRO CA C -10.379 -0.214 3.093 1.00 . A A . 1 PRO CA 1 1
3 1019 1 1 1 PRO CB C -10.651 0.891 2.082 1.00 . A A . 1 PRO CB 1 1
3 1020 1 1 1 PRO CD C -12.529 0.651 3.555 1.00 . A A . 1 PRO CD 1 1
3 1021 1 1 1 PRO CG C -11.791 1.637 2.678 1.00 . A A . 1 PRO CG 1 1
3 1022 1 1 1 PRO H2 H -11.050 0.002 4.980 1.00 . A A . 1 PRO H2 1 1
3 1023 1 1 1 PRO H3 H -11.699 -1.268 4.188 1.00 . A A . 1 PRO H3 1 1
3 1024 1 1 1 PRO HA H -10.336 -1.167 2.585 1.00 . A A . 1 PRO HA 1 1
3 1025 1 1 1 PRO HB2 H -9.774 1.516 1.979 1.00 . A A . 1 PRO HB2 1 1
3 1026 1 1 1 PRO HB3 H -10.915 0.460 1.126 1.00 . A A . 1 PRO HB3 1 1
3 1027 1 1 1 PRO HD2 H -13.023 1.166 4.364 1.00 . A A . 1 PRO HD2 1 1
3 1028 1 1 1 PRO HD3 H -13.248 0.098 2.969 1.00 . A A . 1 PRO HD3 1 1
3 1029 1 1 1 PRO HG2 H -11.416 2.458 3.271 1.00 . A A . 1 PRO HG2 1 1
3 1030 1 1 1 PRO HG3 H -12.441 2.005 1.898 1.00 . A A . 1 PRO HG3 1 1
3 1031 1 1 1 PRO N N -11.482 -0.250 4.075 1.00 . A A . 1 PRO N 1 1
3 1032 1 1 1 PRO O O -9.025 0.310 4.998 1.00 . A A . 1 PRO O 1 1
3 1033 1 1 2 PHE C C -5.942 1.272 2.796 1.00 . A A . 2 PHE C 1 1
3 1034 1 1 2 PHE CA C -6.632 0.169 3.591 1.00 . A A . 2 PHE CA 1 1
3 1035 1 1 2 PHE CB C -5.800 -1.117 3.517 1.00 . A A . 2 PHE CB 1 1
3 1036 1 1 2 PHE CD1 C -7.218 -3.184 3.438 1.00 . A A . 2 PHE CD1 1 1
3 1037 1 1 2 PHE CD2 C -6.293 -2.526 5.535 1.00 . A A . 2 PHE CD2 1 1
3 1038 1 1 2 PHE CE1 C -7.818 -4.272 4.042 1.00 . A A . 2 PHE CE1 1 1
3 1039 1 1 2 PHE CE2 C -6.890 -3.613 6.143 1.00 . A A . 2 PHE CE2 1 1
3 1040 1 1 2 PHE CG C -6.449 -2.300 4.176 1.00 . A A . 2 PHE CG 1 1
3 1041 1 1 2 PHE CZ C -7.644 -4.490 5.397 1.00 . A A . 2 PHE CZ 1 1
3 1042 1 1 2 PHE H H -8.056 -0.276 2.097 1.00 . A A . 2 PHE H 1 1
3 1043 1 1 2 PHE HA H -6.731 0.475 4.621 1.00 . A A . 2 PHE HA 1 1
3 1044 1 1 2 PHE HB2 H -5.630 -1.366 2.480 1.00 . A A . 2 PHE HB2 1 1
3 1045 1 1 2 PHE HB3 H -4.850 -0.945 4.001 1.00 . A A . 2 PHE HB3 1 1
3 1046 1 1 2 PHE HD1 H -7.344 -3.017 2.378 1.00 . A A . 2 PHE HD1 1 1
3 1047 1 1 2 PHE HD2 H -5.696 -1.844 6.122 1.00 . A A . 2 PHE HD2 1 1
3 1048 1 1 2 PHE HE1 H -8.416 -4.953 3.456 1.00 . A A . 2 PHE HE1 1 1
3 1049 1 1 2 PHE HE2 H -6.759 -3.779 7.201 1.00 . A A . 2 PHE HE2 1 1
3 1050 1 1 2 PHE HZ H -8.107 -5.341 5.871 1.00 . A A . 2 PHE HZ 1 1
3 1051 1 1 2 PHE N N -7.963 -0.055 3.051 1.00 . A A . 2 PHE N 1 1
3 1052 1 1 2 PHE O O -6.047 1.306 1.571 1.00 . A A . 2 PHE O 1 1
3 1053 1 1 3 . C C -3.055 3.169 2.721 1.00 . A A . 3 9KK C 1 1
3 1054 1 1 3 . CA C -4.578 3.286 2.730 1.00 . A A . 3 9KK CA 1 1
3 1055 1 1 3 . CB C -5.018 4.559 3.465 1.00 . A A . 3 9KK CB 1 1
3 1056 1 1 3 . CD C -5.011 7.074 3.547 1.00 . A A . 3 9KK CD 1 1
3 1057 1 1 3 . CE C -4.455 8.322 2.897 1.00 . A A . 3 9KK CE 1 1
3 1058 1 1 3 . CG C -4.501 5.838 2.825 1.00 . A A . 3 9KK CG 1 1
3 1059 1 1 3 . CM C -5.120 2.120 4.928 1.00 . A A . 3 9KK CM 1 1
3 1060 1 1 3 . HA H -4.924 3.330 1.709 1.00 . A A . 3 9KK HA 1 1
3 1061 1 1 3 . HB2 H -4.655 4.521 4.481 1.00 . A A . 3 9KK HB2 1 1
3 1062 1 1 3 . HB3 H -6.096 4.598 3.477 1.00 . A A . 3 9KK HB3 1 1
3 1063 1 1 3 . HD2 H -4.694 7.047 4.579 1.00 . A A . 3 9KK HD2 1 1
3 1064 1 1 3 . HD3 H -6.088 7.106 3.488 1.00 . A A . 3 9KK HD3 1 1
3 1065 1 1 3 . HE1 H -4.749 8.351 1.859 1.00 . A A . 3 9KK HE1 1 1
3 1066 1 1 3 . HE2 H -3.377 8.314 2.968 1.00 . A A . 3 9KK HE2 1 1
3 1067 1 1 3 . HE3 H -4.842 9.194 3.404 1.00 . A A . 3 9KK HE3 1 1
3 1068 1 1 3 . HG2 H -4.828 5.871 1.796 1.00 . A A . 3 9KK HG2 1 1
3 1069 1 1 3 . HG3 H -3.422 5.834 2.861 1.00 . A A . 3 9KK HG3 1 1
3 1070 1 1 3 . HM1 H -4.988 1.091 5.228 1.00 . A A . 3 9KK HM1 1 1
3 1071 1 1 3 . HM2 H -6.016 2.517 5.381 1.00 . A A . 3 9KK HM2 1 1
3 1072 1 1 3 . HM3 H -4.267 2.698 5.250 1.00 . A A . 3 9KK HM3 1 1
3 1073 1 1 3 . N N -5.238 2.197 3.457 1.00 . A A . 3 9KK N 1 1
3 1074 1 1 3 . O O -2.436 2.691 3.676 1.00 . A A . 3 9KK O 1 1
3 1075 1 1 4 CYS C C -0.385 4.475 2.596 1.00 . A A . 4 CYS C 1 1
3 1076 1 1 4 CYS CA C -1.019 3.640 1.479 1.00 . A A . 4 CYS CA 1 1
3 1077 1 1 4 CYS CB C -0.652 4.210 0.109 1.00 . A A . 4 CYS CB 1 1
3 1078 1 1 4 CYS H H -3.023 3.883 0.862 1.00 . A A . 4 CYS H 1 1
3 1079 1 1 4 CYS HA H -0.647 2.630 1.548 1.00 . A A . 4 CYS HA 1 1
3 1080 1 1 4 CYS HB2 H -0.749 3.431 -0.634 1.00 . A A . 4 CYS HB2 1 1
3 1081 1 1 4 CYS HB3 H -1.329 5.017 -0.129 1.00 . A A . 4 CYS HB3 1 1
3 1082 1 1 4 CYS N N -2.463 3.596 1.617 1.00 . A A . 4 CYS N 1 1
3 1083 1 1 4 CYS O O 0.601 4.066 3.215 1.00 . A A . 4 CYS O 1 1
3 1084 1 1 4 CYS SG S 1.026 4.854 0.021 1.00 . A A . 4 CYS SG 1 1
3 1085 1 1 5 THR C C 0.799 7.161 3.687 1.00 . A A . 5 THR C 1 1
3 1086 1 1 5 THR CA C -0.581 6.529 3.932 1.00 . A A . 5 THR CA 1 1
3 1087 1 1 5 THR CB C -0.611 5.777 5.287 1.00 . A A . 5 THR CB 1 1
3 1088 1 1 5 THR CG2 C -0.583 6.746 6.462 1.00 . A A . 5 THR CG2 1 1
3 1089 1 1 5 THR H H -1.702 5.932 2.249 1.00 . A A . 5 THR H 1 1
3 1090 1 1 5 THR HA H -1.313 7.324 3.979 1.00 . A A . 5 THR HA 1 1
3 1091 1 1 5 THR HB H 0.249 5.127 5.348 1.00 . A A . 5 THR HB 1 1
3 1092 1 1 5 THR HG1 H -1.604 4.068 5.168 1.00 . A A . 5 THR HG1 1 1
3 1093 1 1 5 THR HG21 H -1.437 7.407 6.403 1.00 . A A . 5 THR HG21 1 1
3 1094 1 1 5 THR HG22 H 0.326 7.329 6.426 1.00 . A A . 5 THR HG22 1 1
3 1095 1 1 5 THR HG23 H -0.618 6.191 7.388 1.00 . A A . 5 THR HG23 1 1
3 1096 1 1 5 THR N N -0.973 5.648 2.835 1.00 . A A . 5 THR N 1 1
3 1097 1 1 5 THR O O 1.389 7.778 4.577 1.00 . A A . 5 THR O 1 1
3 1098 1 1 5 THR OG1 O -1.810 4.990 5.372 1.00 . A A . 5 THR OG1 1 1
3 1099 1 1 6 TRP C C 2.253 9.136 1.762 1.00 . A A . 6 TRP C 1 1
3 1100 1 1 6 TRP CA C 2.544 7.680 2.089 1.00 . A A . 6 TRP CA 1 1
3 1101 1 1 6 TRP CB C 3.186 6.984 0.893 1.00 . A A . 6 TRP CB 1 1
3 1102 1 1 6 TRP CD1 C 5.058 8.450 -0.059 1.00 . A A . 6 TRP CD1 1 1
3 1103 1 1 6 TRP CD2 C 5.769 6.690 1.125 1.00 . A A . 6 TRP CD2 1 1
3 1104 1 1 6 TRP CE2 C 6.891 7.400 0.662 1.00 . A A . 6 TRP CE2 1 1
3 1105 1 1 6 TRP CE3 C 5.968 5.542 1.895 1.00 . A A . 6 TRP CE3 1 1
3 1106 1 1 6 TRP CG C 4.608 7.378 0.654 1.00 . A A . 6 TRP CG 1 1
3 1107 1 1 6 TRP CH2 C 8.356 5.869 1.701 1.00 . A A . 6 TRP CH2 1 1
3 1108 1 1 6 TRP CZ2 C 8.192 6.997 0.944 1.00 . A A . 6 TRP CZ2 1 1
3 1109 1 1 6 TRP CZ3 C 7.258 5.144 2.175 1.00 . A A . 6 TRP CZ3 1 1
3 1110 1 1 6 TRP H H 0.844 6.462 1.810 1.00 . A A . 6 TRP H 1 1
3 1111 1 1 6 TRP HA H 3.219 7.638 2.932 1.00 . A A . 6 TRP HA 1 1
3 1112 1 1 6 TRP HB2 H 3.161 5.918 1.050 1.00 . A A . 6 TRP HB2 1 1
3 1113 1 1 6 TRP HB3 H 2.621 7.223 0.007 1.00 . A A . 6 TRP HB3 1 1
3 1114 1 1 6 TRP HD1 H 4.414 9.169 -0.544 1.00 . A A . 6 TRP HD1 1 1
3 1115 1 1 6 TRP HE1 H 6.991 9.146 -0.501 1.00 . A A . 6 TRP HE1 1 1
3 1116 1 1 6 TRP HE3 H 5.132 4.970 2.268 1.00 . A A . 6 TRP HE3 1 1
3 1117 1 1 6 TRP HH2 H 9.346 5.519 1.944 1.00 . A A . 6 TRP HH2 1 1
3 1118 1 1 6 TRP HZ2 H 9.051 7.546 0.585 1.00 . A A . 6 TRP HZ2 1 1
3 1119 1 1 6 TRP HZ3 H 7.430 4.260 2.769 1.00 . A A . 6 TRP HZ3 1 1
3 1120 1 1 6 TRP N N 1.307 7.023 2.466 1.00 . A A . 6 TRP N 1 1
3 1121 1 1 6 TRP NE1 N 6.429 8.471 -0.058 1.00 . A A . 6 TRP NE1 1 1
3 1122 1 1 6 TRP O O 1.274 9.440 1.070 1.00 . A A . 6 TRP O 1 1
3 1123 1 1 7 ABA C C 2.723 11.884 0.693 1.00 . A A . 7 AIB C 1 1
3 1124 1 1 7 ABA CA C 2.898 11.462 2.162 1.00 . A A . 7 AIB CA 1 1
3 1125 1 1 7 ABA H H 3.905 9.684 2.725 1.00 . A A . 7 AIB H 1 1
3 1126 1 1 7 ABA N N 3.102 10.017 2.264 1.00 . A A . 7 AIB N 1 1
3 1127 1 1 7 ABA O O 3.646 11.751 -0.111 1.00 . A A . 7 AIB O 1 1
3 1128 1 1 8 GLY C C 0.974 11.854 -2.008 1.00 . A A . 8 GLY C 1 1
3 1129 1 1 8 GLY CA C 1.308 12.917 -0.979 1.00 . A A . 8 GLY CA 1 1
3 1130 1 1 8 GLY H H 0.812 12.395 1.009 1.00 . A A . 8 GLY H 1 1
3 1131 1 1 8 GLY HA2 H 0.490 13.621 -0.930 1.00 . A A . 8 GLY HA2 1 1
3 1132 1 1 8 GLY HA3 H 2.198 13.440 -1.297 1.00 . A A . 8 GLY HA3 1 1
3 1133 1 1 8 GLY N N 1.539 12.383 0.350 1.00 . A A . 8 GLY N 1 1
3 1134 1 1 8 GLY O O 0.883 12.148 -3.202 1.00 . A A . 8 GLY O 1 1
3 1135 1 1 9 CYS C C -1.039 9.442 -2.685 1.00 . A A . 9 CYS C 1 1
3 1136 1 1 9 CYS CA C 0.472 9.536 -2.479 1.00 . A A . 9 CYS CA 1 1
3 1137 1 1 9 CYS CB C 1.032 8.214 -1.954 1.00 . A A . 9 CYS CB 1 1
3 1138 1 1 9 CYS H H 0.886 10.429 -0.601 1.00 . A A . 9 CYS H 1 1
3 1139 1 1 9 CYS HA H 0.933 9.760 -3.428 1.00 . A A . 9 CYS HA 1 1
3 1140 1 1 9 CYS HB2 H 2.060 8.360 -1.664 1.00 . A A . 9 CYS HB2 1 1
3 1141 1 1 9 CYS HB3 H 0.461 7.903 -1.090 1.00 . A A . 9 CYS HB3 1 1
3 1142 1 1 9 CYS N N 0.794 10.618 -1.563 1.00 . A A . 9 CYS N 1 1
3 1143 1 1 9 CYS O O -1.528 9.592 -3.807 1.00 . A A . 9 CYS O 1 1
3 1144 1 1 9 CYS SG S 0.992 6.865 -3.156 1.00 . A A . 9 CYS SG 1 1
3 1145 1 1 10 GLY C C -3.717 7.971 -2.496 1.00 . A A . 10 GLY C 1 1
3 1146 1 1 10 GLY CA C -3.224 9.157 -1.691 1.00 . A A . 10 GLY CA 1 1
3 1147 1 1 10 GLY H H -1.335 9.073 -0.743 1.00 . A A . 10 GLY H 1 1
3 1148 1 1 10 GLY HA2 H -3.631 9.096 -0.693 1.00 . A A . 10 GLY HA2 1 1
3 1149 1 1 10 GLY HA3 H -3.578 10.064 -2.155 1.00 . A A . 10 GLY HA3 1 1
3 1150 1 1 10 GLY N N -1.775 9.210 -1.606 1.00 . A A . 10 GLY N 1 1
3 1151 1 1 10 GLY O O -4.298 8.136 -3.571 1.00 . A A . 10 GLY O 1 1
3 1152 1 1 11 LYS C C -4.589 4.617 -1.657 1.00 . A A . 11 LYS C 1 1
3 1153 1 1 11 LYS CA C -3.904 5.554 -2.652 1.00 . A A . 11 LYS CA 1 1
3 1154 1 1 11 LYS CB C -2.708 4.853 -3.307 1.00 . A A . 11 LYS CB 1 1
3 1155 1 1 11 LYS CD C -2.924 5.718 -5.660 1.00 . A A . 11 LYS CD 1 1
3 1156 1 1 11 LYS CE C -2.376 6.679 -6.706 1.00 . A A . 11 LYS CE 1 1
3 1157 1 1 11 LYS CG C -2.053 5.669 -4.416 1.00 . A A . 11 LYS CG 1 1
3 1158 1 1 11 LYS H H -2.981 6.706 -1.142 1.00 . A A . 11 LYS H 1 1
3 1159 1 1 11 LYS HA H -4.613 5.833 -3.414 1.00 . A A . 11 LYS HA 1 1
3 1160 1 1 11 LYS HB2 H -1.965 4.650 -2.552 1.00 . A A . 11 LYS HB2 1 1
3 1161 1 1 11 LYS HB3 H -3.043 3.917 -3.731 1.00 . A A . 11 LYS HB3 1 1
3 1162 1 1 11 LYS HD2 H -2.974 4.729 -6.088 1.00 . A A . 11 LYS HD2 1 1
3 1163 1 1 11 LYS HD3 H -3.915 6.037 -5.378 1.00 . A A . 11 LYS HD3 1 1
3 1164 1 1 11 LYS HE2 H -1.351 6.412 -6.918 1.00 . A A . 11 LYS HE2 1 1
3 1165 1 1 11 LYS HE3 H -2.964 6.583 -7.605 1.00 . A A . 11 LYS HE3 1 1
3 1166 1 1 11 LYS HG2 H -1.895 6.675 -4.059 1.00 . A A . 11 LYS HG2 1 1
3 1167 1 1 11 LYS HG3 H -1.103 5.220 -4.667 1.00 . A A . 11 LYS HG3 1 1
3 1168 1 1 11 LYS HZ1 H -3.379 8.343 -5.929 1.00 . A A . 11 LYS HZ1 1 1
3 1169 1 1 11 LYS HZ2 H -2.159 8.730 -7.031 1.00 . A A . 11 LYS HZ2 1 1
3 1170 1 1 11 LYS HZ3 H -1.753 8.246 -5.463 1.00 . A A . 11 LYS HZ3 1 1
3 1171 1 1 11 LYS N N -3.468 6.773 -1.987 1.00 . A A . 11 LYS N 1 1
3 1172 1 1 11 LYS NZ N -2.419 8.096 -6.250 1.00 . A A . 11 LYS NZ 1 1
3 1173 1 1 11 LYS O O -4.068 4.381 -0.567 1.00 . A A . 11 LYS O 1 1
3 1174 1 1 12 . C C -6.907 1.850 -1.786 1.00 . A A . 12 MMO C 1 1
3 1175 1 1 12 . CA C -6.505 3.166 -1.110 1.00 . A A . 12 MMO CA 1 1
3 1176 1 1 12 . CB C -7.750 3.947 -0.675 1.00 . A A . 12 MMO CB 1 1
3 1177 1 1 12 . CD C -8.712 5.917 0.548 1.00 . A A . 12 MMO CD 1 1
3 1178 1 1 12 . CG C -7.444 5.167 0.179 1.00 . A A . 12 MMO CG 1 1
3 1179 1 1 12 . CN C -6.369 4.456 -3.313 1.00 . A A . 12 MMO CN 1 1
3 1180 1 1 12 . CZ C -10.341 7.360 -0.622 1.00 . A A . 12 MMO CZ 1 1
3 1181 1 1 12 . HA H -5.910 2.936 -0.238 1.00 . A A . 12 MMO HA 1 1
3 1182 1 1 12 . HC1 H -6.629 5.504 -3.313 1.00 . A A . 12 MMO HC1 1 1
3 1183 1 1 12 . HC2 H -7.256 3.865 -3.484 1.00 . A A . 12 MMO HC2 1 1
3 1184 1 1 12 . HC3 H -5.651 4.264 -4.096 1.00 . A A . 12 MMO HC3 1 1
3 1185 1 1 12 . HCB1 H -8.387 3.288 -0.103 1.00 . A A . 12 MMO HCB1 1 1
3 1186 1 1 12 . HCB2 H -8.282 4.274 -1.554 1.00 . A A . 12 MMO HCB2 1 1
3 1187 1 1 12 . HCD1 H -8.449 6.767 1.158 1.00 . A A . 12 MMO HCD1 1 1
3 1188 1 1 12 . HCD2 H -9.352 5.254 1.111 1.00 . A A . 12 MMO HCD2 1 1
3 1189 1 1 12 . HCG1 H -6.792 5.827 -0.372 1.00 . A A . 12 MMO HCG1 1 1
3 1190 1 1 12 . HCG2 H -6.952 4.846 1.086 1.00 . A A . 12 MMO HCG2 1 1
3 1191 1 1 12 . HE H -9.244 5.929 -1.491 1.00 . A A . 12 MMO HE 1 1
3 1192 1 1 12 . HH11 H -11.642 8.434 -1.741 1.00 . A A . 12 MMO HH11 1 1
3 1193 1 1 12 . HH12 H -10.755 7.214 -2.600 1.00 . A A . 12 MMO HH12 1 1
3 1194 1 1 12 . HH21 H -10.171 7.741 1.363 1.00 . A A . 12 MMO HH21 1 1
3 1195 1 1 12 . HH22 H -11.316 8.726 0.513 1.00 . A A . 12 MMO HH22 1 1
3 1196 1 1 12 . N N -5.779 4.093 -2.006 1.00 . A A . 12 MMO N 1 1
3 1197 1 1 12 . NE N -9.438 6.381 -0.636 1.00 . A A . 12 MMO NE 1 1
3 1198 1 1 12 . NH1 N -10.960 7.697 -1.744 1.00 . A A . 12 MMO NH1 1 1
3 1199 1 1 12 . NH2 N -10.630 7.994 0.508 1.00 . A A . 12 MMO NH2 1 1
3 1200 1 1 12 . O O -7.428 1.826 -2.903 1.00 . A A . 12 MMO O 1 1
3 1201 1 1 13 PHE C C -7.833 -1.364 -0.714 1.00 . A A . 13 PHE C 1 1
3 1202 1 1 13 PHE CA C -6.906 -0.576 -1.631 1.00 . A A . 13 PHE CA 1 1
3 1203 1 1 13 PHE CB C -5.568 -1.300 -1.795 1.00 . A A . 13 PHE CB 1 1
3 1204 1 1 13 PHE CD1 C -4.498 -0.990 -4.041 1.00 . A A . 13 PHE CD1 1 1
3 1205 1 1 13 PHE CD2 C -3.852 0.467 -2.269 1.00 . A A . 13 PHE CD2 1 1
3 1206 1 1 13 PHE CE1 C -3.626 -0.351 -4.894 1.00 . A A . 13 PHE CE1 1 1
3 1207 1 1 13 PHE CE2 C -2.977 1.113 -3.119 1.00 . A A . 13 PHE CE2 1 1
3 1208 1 1 13 PHE CG C -4.622 -0.591 -2.720 1.00 . A A . 13 PHE CG 1 1
3 1209 1 1 13 PHE CZ C -2.885 0.739 -4.428 1.00 . A A . 13 PHE CZ 1 1
3 1210 1 1 13 PHE H H -6.345 0.839 -0.164 1.00 . A A . 13 PHE H 1 1
3 1211 1 1 13 PHE HA H -7.373 -0.468 -2.598 1.00 . A A . 13 PHE HA 1 1
3 1212 1 1 13 PHE HB2 H -5.090 -1.379 -0.830 1.00 . A A . 13 PHE HB2 1 1
3 1213 1 1 13 PHE HB3 H -5.741 -2.290 -2.186 1.00 . A A . 13 PHE HB3 1 1
3 1214 1 1 13 PHE HD1 H -5.092 -1.817 -4.401 1.00 . A A . 13 PHE HD1 1 1
3 1215 1 1 13 PHE HD2 H -3.942 0.788 -1.242 1.00 . A A . 13 PHE HD2 1 1
3 1216 1 1 13 PHE HE1 H -3.542 -0.673 -5.921 1.00 . A A . 13 PHE HE1 1 1
3 1217 1 1 13 PHE HE2 H -2.381 1.937 -2.758 1.00 . A A . 13 PHE HE2 1 1
3 1218 1 1 13 PHE HZ H -2.210 1.258 -5.093 1.00 . A A . 13 PHE HZ 1 1
3 1219 1 1 13 PHE N N -6.675 0.754 -1.087 1.00 . A A . 13 PHE N 1 1
3 1220 1 1 13 PHE O O -7.862 -1.134 0.492 1.00 . A A . 13 PHE O 1 1
3 1221 1 1 14 THR C C -8.953 -4.369 -0.017 1.00 . A A . 14 THR C 1 1
3 1222 1 1 14 THR CA C -9.560 -3.054 -0.514 1.00 . A A . 14 THR CA 1 1
3 1223 1 1 14 THR CB C -10.839 -3.334 -1.343 1.00 . A A . 14 THR CB 1 1
3 1224 1 1 14 THR CG2 C -10.546 -4.257 -2.519 1.00 . A A . 14 THR CG2 1 1
3 1225 1 1 14 THR H H -8.500 -2.457 -2.247 1.00 . A A . 14 THR H 1 1
3 1226 1 1 14 THR HA H -9.839 -2.461 0.345 1.00 . A A . 14 THR HA 1 1
3 1227 1 1 14 THR HB H -11.208 -2.394 -1.729 1.00 . A A . 14 THR HB 1 1
3 1228 1 1 14 THR HG1 H -11.466 -4.629 0.016 1.00 . A A . 14 THR HG1 1 1
3 1229 1 1 14 THR HG21 H -10.193 -5.207 -2.149 1.00 . A A . 14 THR HG21 1 1
3 1230 1 1 14 THR HG22 H -9.788 -3.811 -3.147 1.00 . A A . 14 THR HG22 1 1
3 1231 1 1 14 THR HG23 H -11.449 -4.406 -3.094 1.00 . A A . 14 THR HG23 1 1
3 1232 1 1 14 THR N N -8.591 -2.287 -1.284 1.00 . A A . 14 THR N 1 1
3 1233 1 1 14 THR O O -9.631 -5.178 0.618 1.00 . A A . 14 THR O 1 1
3 1234 1 1 14 THR OG1 O -11.857 -3.921 -0.518 1.00 . A A . 14 THR OG1 1 1
3 1235 1 1 15 ARG C C -5.619 -5.363 0.734 1.00 . A A . 15 ARG C 1 1
3 1236 1 1 15 ARG CA C -6.964 -5.760 0.148 1.00 . A A . 15 ARG CA 1 1
3 1237 1 1 15 ARG CB C -6.768 -6.746 -1.005 1.00 . A A . 15 ARG CB 1 1
3 1238 1 1 15 ARG CD C -7.874 -8.194 -2.743 1.00 . A A . 15 ARG CD 1 1
3 1239 1 1 15 ARG CG C -8.058 -7.413 -1.452 1.00 . A A . 15 ARG CG 1 1
3 1240 1 1 15 ARG CZ C -6.408 -9.955 -3.643 1.00 . A A . 15 ARG CZ 1 1
3 1241 1 1 15 ARG H H -7.199 -3.917 -0.855 1.00 . A A . 15 ARG H 1 1
3 1242 1 1 15 ARG HA H -7.558 -6.227 0.918 1.00 . A A . 15 ARG HA 1 1
3 1243 1 1 15 ARG HB2 H -6.349 -6.217 -1.847 1.00 . A A . 15 ARG HB2 1 1
3 1244 1 1 15 ARG HB3 H -6.077 -7.514 -0.692 1.00 . A A . 15 ARG HB3 1 1
3 1245 1 1 15 ARG HD2 H -8.814 -8.653 -3.008 1.00 . A A . 15 ARG HD2 1 1
3 1246 1 1 15 ARG HD3 H -7.577 -7.510 -3.523 1.00 . A A . 15 ARG HD3 1 1
3 1247 1 1 15 ARG HE H -6.491 -9.404 -1.722 1.00 . A A . 15 ARG HE 1 1
3 1248 1 1 15 ARG HG2 H -8.383 -8.092 -0.678 1.00 . A A . 15 ARG HG2 1 1
3 1249 1 1 15 ARG HG3 H -8.808 -6.652 -1.603 1.00 . A A . 15 ARG HG3 1 1
3 1250 1 1 15 ARG HH11 H -7.646 -9.115 -5.012 1.00 . A A . 15 ARG HH11 1 1
3 1251 1 1 15 ARG HH12 H -6.573 -10.332 -5.627 1.00 . A A . 15 ARG HH12 1 1
3 1252 1 1 15 ARG HH21 H -5.078 -10.995 -2.527 1.00 . A A . 15 ARG HH21 1 1
3 1253 1 1 15 ARG HH22 H -5.110 -11.400 -4.215 1.00 . A A . 15 ARG HH22 1 1
3 1254 1 1 15 ARG N N -7.677 -4.578 -0.312 1.00 . A A . 15 ARG N 1 1
3 1255 1 1 15 ARG NE N -6.862 -9.236 -2.619 1.00 . A A . 15 ARG NE 1 1
3 1256 1 1 15 ARG NH1 N -6.916 -9.787 -4.858 1.00 . A A . 15 ARG NH1 1 1
3 1257 1 1 15 ARG NH2 N -5.456 -10.856 -3.446 1.00 . A A . 15 ARG NH2 1 1
3 1258 1 1 15 ARG O O -4.781 -4.771 0.049 1.00 . A A . 15 ARG O 1 1
3 1259 1 1 16 SER C C -2.982 -5.904 2.108 1.00 . A A . 16 SER C 1 1
3 1260 1 1 16 SER CA C -4.232 -5.318 2.744 1.00 . A A . 16 SER CA 1 1
3 1261 1 1 16 SER CB C -4.359 -5.765 4.200 1.00 . A A . 16 SER CB 1 1
3 1262 1 1 16 SER H H -6.101 -6.255 2.456 1.00 . A A . 16 SER H 1 1
3 1263 1 1 16 SER HA H -4.162 -4.243 2.712 1.00 . A A . 16 SER HA 1 1
3 1264 1 1 16 SER HB2 H -3.400 -5.671 4.688 1.00 . A A . 16 SER HB2 1 1
3 1265 1 1 16 SER HB3 H -5.084 -5.141 4.704 1.00 . A A . 16 SER HB3 1 1
3 1266 1 1 16 SER HG H -4.012 -7.686 4.409 1.00 . A A . 16 SER HG 1 1
3 1267 1 1 16 SER N N -5.425 -5.707 2.004 1.00 . A A . 16 SER N 1 1
3 1268 1 1 16 SER O O -1.930 -5.270 2.086 1.00 . A A . 16 SER O 1 1
3 1269 1 1 16 SER OG O -4.785 -7.116 4.283 1.00 . A A . 16 SER OG 1 1
3 1270 1 1 17 . C C -1.828 -6.980 -1.480 1.00 . A A . 17 B3D C 1 1
3 1271 1 1 17 . CA C -2.334 -8.034 -0.532 1.00 . A A . 17 B3D CA 1 1
3 1272 1 1 17 . CB C -1.997 -7.750 0.931 1.00 . A A . 17 B3D CB 1 1
3 1273 1 1 17 . CD C -0.442 -9.764 1.104 1.00 . A A . 17 B3D CD 1 1
3 1274 1 1 17 . CG C -1.716 -9.104 1.606 1.00 . A A . 17 B3D CG 1 1
3 1275 1 1 17 . H H -3.964 -7.580 1.655 1.00 . A A . 17 B3D H 1 1
3 1276 1 1 17 . HA1 H -1.896 -8.978 -0.811 1.00 . A A . 17 B3D HA1 1 1
3 1277 1 1 17 . HA2 H -3.406 -8.095 -0.641 1.00 . A A . 17 B3D HA2 1 1
3 1278 1 1 17 . HB H -1.147 -7.048 0.999 1.00 . A A . 17 B3D HB 1 1
3 1279 1 1 17 . HG2 H -2.543 -9.771 1.415 1.00 . A A . 17 B3D HG2 1 1
3 1280 1 1 17 . HG3 H -1.624 -8.953 2.670 1.00 . A A . 17 B3D HG3 1 1
3 1281 1 1 17 . N N -3.104 -7.112 1.586 1.00 . A A . 17 B3D N 1 1
3 1282 1 1 17 . O O -0.622 -6.806 -1.665 1.00 . A A . 17 B3D O 1 1
3 1283 1 1 17 . OE1 O -0.521 -10.609 0.182 1.00 . A A . 17 B3D OE1 1 1
3 1284 1 1 17 . OE2 O 0.641 -9.448 1.635 1.00 . A A . 17 B3D OE2 1 1
3 1285 1 1 18 GLU C C -1.981 -3.942 -2.397 1.00 . A A . 18 GLU C 1 1
3 1286 1 1 18 GLU CA C -2.462 -5.228 -3.055 1.00 . A A . 18 GLU CA 1 1
3 1287 1 1 18 GLU CB C -3.694 -4.951 -3.916 1.00 . A A . 18 GLU CB 1 1
3 1288 1 1 18 GLU CD C -3.111 -6.614 -5.724 1.00 . A A . 18 GLU CD 1 1
3 1289 1 1 18 GLU CG C -4.149 -6.159 -4.717 1.00 . A A . 18 GLU CG 1 1
3 1290 1 1 18 GLU H H -3.704 -6.388 -1.809 1.00 . A A . 18 GLU H 1 1
3 1291 1 1 18 GLU HA H -1.675 -5.611 -3.684 1.00 . A A . 18 GLU HA 1 1
3 1292 1 1 18 GLU HB2 H -4.508 -4.643 -3.274 1.00 . A A . 18 GLU HB2 1 1
3 1293 1 1 18 GLU HB3 H -3.468 -4.151 -4.604 1.00 . A A . 18 GLU HB3 1 1
3 1294 1 1 18 GLU HG2 H -4.348 -6.972 -4.037 1.00 . A A . 18 GLU HG2 1 1
3 1295 1 1 18 GLU HG3 H -5.054 -5.902 -5.244 1.00 . A A . 18 GLU HG3 1 1
3 1296 1 1 18 GLU N N -2.770 -6.244 -2.061 1.00 . A A . 18 GLU N 1 1
3 1297 1 1 18 GLU O O -1.261 -3.157 -3.010 1.00 . A A . 18 GLU O 1 1
3 1298 1 1 18 GLU OE1 O -2.212 -7.392 -5.341 1.00 . A A . 18 GLU OE1 1 1
3 1299 1 1 18 GLU OE2 O -3.184 -6.194 -6.899 1.00 . A A . 18 GLU OE2 1 1
3 1300 1 1 19 LEU C C -0.470 -2.687 -0.067 1.00 . A A . 19 LEU C 1 1
3 1301 1 1 19 LEU CA C -1.953 -2.561 -0.406 1.00 . A A . 19 LEU CA 1 1
3 1302 1 1 19 LEU CB C -2.818 -2.412 0.857 1.00 . A A . 19 LEU CB 1 1
3 1303 1 1 19 LEU CD1 C -1.458 -1.558 2.798 1.00 . A A . 19 LEU CD1 1 1
3 1304 1 1 19 LEU CD2 C -2.121 0.015 0.973 1.00 . A A . 19 LEU CD2 1 1
3 1305 1 1 19 LEU CG C -2.529 -1.213 1.776 1.00 . A A . 19 LEU CG 1 1
3 1306 1 1 19 LEU H H -3.019 -4.355 -0.737 1.00 . A A . 19 LEU H 1 1
3 1307 1 1 19 LEU HA H -2.093 -1.694 -1.032 1.00 . A A . 19 LEU HA 1 1
3 1308 1 1 19 LEU HB2 H -3.849 -2.347 0.545 1.00 . A A . 19 LEU HB2 1 1
3 1309 1 1 19 LEU HB3 H -2.704 -3.312 1.441 1.00 . A A . 19 LEU HB3 1 1
3 1310 1 1 19 LEU HD11 H -1.301 -0.714 3.449 1.00 . A A . 19 LEU HD11 1 1
3 1311 1 1 19 LEU HD12 H -0.537 -1.799 2.289 1.00 . A A . 19 LEU HD12 1 1
3 1312 1 1 19 LEU HD13 H -1.780 -2.407 3.382 1.00 . A A . 19 LEU HD13 1 1
3 1313 1 1 19 LEU HD21 H -1.219 -0.197 0.418 1.00 . A A . 19 LEU HD21 1 1
3 1314 1 1 19 LEU HD22 H -1.943 0.842 1.645 1.00 . A A . 19 LEU HD22 1 1
3 1315 1 1 19 LEU HD23 H -2.911 0.275 0.289 1.00 . A A . 19 LEU HD23 1 1
3 1316 1 1 19 LEU HG H -3.430 -0.968 2.317 1.00 . A A . 19 LEU HG 1 1
3 1317 1 1 19 LEU N N -2.392 -3.724 -1.157 1.00 . A A . 19 LEU N 1 1
3 1318 1 1 19 LEU O O 0.322 -1.791 -0.361 1.00 . A A . 19 LEU O 1 1
3 1319 1 1 20 GLN C C 2.146 -4.253 -0.346 1.00 . A A . 20 GLN C 1 1
3 1320 1 1 20 GLN CA C 1.288 -4.047 0.897 1.00 . A A . 20 GLN CA 1 1
3 1321 1 1 20 GLN CB C 1.405 -5.263 1.812 1.00 . A A . 20 GLN CB 1 1
3 1322 1 1 20 GLN CD C 2.957 -6.719 3.181 1.00 . A A . 20 GLN CD 1 1
3 1323 1 1 20 GLN CG C 2.812 -5.465 2.344 1.00 . A A . 20 GLN CG 1 1
3 1324 1 1 20 GLN H H -0.778 -4.482 0.753 1.00 . A A . 20 GLN H 1 1
3 1325 1 1 20 GLN HA H 1.645 -3.178 1.425 1.00 . A A . 20 GLN HA 1 1
3 1326 1 1 20 GLN HB2 H 0.734 -5.138 2.649 1.00 . A A . 20 GLN HB2 1 1
3 1327 1 1 20 GLN HB3 H 1.118 -6.144 1.260 1.00 . A A . 20 GLN HB3 1 1
3 1328 1 1 20 GLN HE21 H 2.473 -5.714 4.829 1.00 . A A . 20 GLN HE21 1 1
3 1329 1 1 20 GLN HE22 H 2.815 -7.396 5.043 1.00 . A A . 20 GLN HE22 1 1
3 1330 1 1 20 GLN HG2 H 3.489 -5.536 1.506 1.00 . A A . 20 GLN HG2 1 1
3 1331 1 1 20 GLN HG3 H 3.080 -4.611 2.946 1.00 . A A . 20 GLN HG3 1 1
3 1332 1 1 20 GLN N N -0.099 -3.808 0.533 1.00 . A A . 20 GLN N 1 1
3 1333 1 1 20 GLN NE2 N 2.725 -6.598 4.480 1.00 . A A . 20 GLN NE2 1 1
3 1334 1 1 20 GLN O O 3.186 -3.611 -0.508 1.00 . A A . 20 GLN O 1 1
3 1335 1 1 20 GLN OE1 O 3.281 -7.788 2.665 1.00 . A A . 20 GLN OE1 1 1
3 1336 1 1 21 . C C 2.182 -3.379 -3.943 1.00 . A A . 21 HMR C 1 1
3 1337 1 1 21 . CA C 2.443 -5.414 -2.434 1.00 . A A . 21 HMR CA 1 1
3 1338 1 1 21 . CB C 2.453 -6.932 -2.683 1.00 . A A . 21 HMR CB 1 1
3 1339 1 1 21 . CD C 4.229 -7.568 -1.002 1.00 . A A . 21 HMR CD 1 1
3 1340 1 1 21 . CG C 2.792 -7.767 -1.457 1.00 . A A . 21 HMR CG 1 1
3 1341 1 1 21 . CH2 C 1.751 -4.790 -3.649 1.00 . A A . 21 HMR CH2 1 1
3 1342 1 1 21 . CZ C 5.654 -9.150 0.264 1.00 . A A . 21 HMR CZ 1 1
3 1343 1 1 21 . H H 0.864 -5.624 -1.061 1.00 . A A . 21 HMR H 1 1
3 1344 1 1 21 . HA H 3.455 -4.985 -2.296 1.00 . A A . 21 HMR HA 1 1
3 1345 1 1 21 . HB2 H 3.176 -7.151 -3.454 1.00 . A A . 21 HMR HB2 1 1
3 1346 1 1 21 . HB3 H 1.475 -7.228 -3.029 1.00 . A A . 21 HMR HB3 1 1
3 1347 1 1 21 . HC1 H 1.967 -5.393 -4.517 1.00 . A A . 21 HMR HC1 1 1
3 1348 1 1 21 . HC2 H 0.683 -4.787 -3.480 1.00 . A A . 21 HMR HC2 1 1
3 1349 1 1 21 . HD2 H 4.371 -6.531 -0.739 1.00 . A A . 21 HMR HD2 1 1
3 1350 1 1 21 . HD3 H 4.889 -7.826 -1.816 1.00 . A A . 21 HMR HD3 1 1
3 1351 1 1 21 . HE H 3.900 -8.409 0.904 1.00 . A A . 21 HMR HE 1 1
3 1352 1 1 21 . HG2 H 2.641 -8.809 -1.696 1.00 . A A . 21 HMR HG2 1 1
3 1353 1 1 21 . HG3 H 2.132 -7.484 -0.652 1.00 . A A . 21 HMR HG3 1 1
3 1354 1 1 21 . HH1 H 6.407 -8.624 -1.543 1.00 . A A . 21 HMR HH1 1 1
3 1355 1 1 21 . HH2 H 7.377 -9.734 -0.628 1.00 . A A . 21 HMR HH2 1 1
3 1356 1 1 21 . HH21 H 6.689 -10.446 1.433 1.00 . A A . 21 HMR HH21 1 1
3 1357 1 1 21 . HH22 H 5.185 -9.884 2.095 1.00 . A A . 21 HMR HH22 1 1
3 1358 1 1 21 . N N 1.709 -5.145 -1.228 1.00 . A A . 21 HMR N 1 1
3 1359 1 1 21 . NE N 4.551 -8.403 0.159 1.00 . A A . 21 HMR NE 1 1
3 1360 1 1 21 . NH1 N 6.549 -9.170 -0.714 1.00 . A A . 21 HMR NH1 1 1
3 1361 1 1 21 . NH2 N 5.857 -9.884 1.350 1.00 . A A . 21 HMR NH2 1 1
3 1362 1 1 21 . O O 3.225 -3.143 -4.560 1.00 . A A . 21 HMR O 1 1
3 1363 1 1 22 HIS C C 2.744 -0.470 -2.885 1.00 . A A . 22 HIS C 1 1
3 1364 1 1 22 HIS CA C 1.603 -1.021 -3.740 1.00 . A A . 22 HIS CA 1 1
3 1365 1 1 22 HIS CB C 0.315 -0.224 -3.496 1.00 . A A . 22 HIS CB 1 1
3 1366 1 1 22 HIS CD2 C 0.976 2.090 -2.588 1.00 . A A . 22 HIS CD2 1 1
3 1367 1 1 22 HIS CE1 C 0.678 3.297 -4.369 1.00 . A A . 22 HIS CE1 1 1
3 1368 1 1 22 HIS CG C 0.515 1.256 -3.548 1.00 . A A . 22 HIS CG 1 1
3 1369 1 1 22 HIS H H 0.584 -2.695 -2.962 1.00 . A A . 22 HIS H 1 1
3 1370 1 1 22 HIS HA H 1.879 -0.919 -4.777 1.00 . A A . 22 HIS HA 1 1
3 1371 1 1 22 HIS HB2 H -0.413 -0.487 -4.247 1.00 . A A . 22 HIS HB2 1 1
3 1372 1 1 22 HIS HB3 H -0.075 -0.473 -2.520 1.00 . A A . 22 HIS HB3 1 1
3 1373 1 1 22 HIS HD1 H -0.029 1.737 -5.546 1.00 . A A . 22 HIS HD1 1 1
3 1374 1 1 22 HIS HD2 H 1.210 1.825 -1.569 1.00 . A A . 22 HIS HD2 1 1
3 1375 1 1 22 HIS HE1 H 0.644 4.138 -5.046 1.00 . A A . 22 HIS HE1 1 1
3 1376 1 1 22 HIS N N 1.373 -2.432 -3.486 1.00 . A A . 22 HIS N 1 1
3 1377 1 1 22 HIS ND1 N 0.316 2.042 -4.679 1.00 . A A . 22 HIS ND1 1 1
3 1378 1 1 22 HIS NE2 N 1.075 3.346 -3.125 1.00 . A A . 22 HIS NE2 1 1
3 1379 1 1 22 HIS O O 3.704 0.079 -3.425 1.00 . A A . 22 HIS O 1 1
3 1380 1 1 23 LYS C C 5.026 -0.454 -1.078 1.00 . A A . 23 LYS C 1 1
3 1381 1 1 23 LYS CA C 3.628 -0.046 -0.641 1.00 . A A . 23 LYS CA 1 1
3 1382 1 1 23 LYS CB C 3.351 -0.480 0.803 1.00 . A A . 23 LYS CB 1 1
3 1383 1 1 23 LYS CD C 4.456 1.598 1.766 1.00 . A A . 23 LYS CD 1 1
3 1384 1 1 23 LYS CE C 3.116 2.292 1.993 1.00 . A A . 23 LYS CE 1 1
3 1385 1 1 23 LYS CG C 4.341 0.075 1.826 1.00 . A A . 23 LYS CG 1 1
3 1386 1 1 23 LYS H H 1.871 -1.113 -1.191 1.00 . A A . 23 LYS H 1 1
3 1387 1 1 23 LYS HA H 3.553 1.029 -0.704 1.00 . A A . 23 LYS HA 1 1
3 1388 1 1 23 LYS HB2 H 2.359 -0.150 1.080 1.00 . A A . 23 LYS HB2 1 1
3 1389 1 1 23 LYS HB3 H 3.384 -1.558 0.853 1.00 . A A . 23 LYS HB3 1 1
3 1390 1 1 23 LYS HD2 H 5.148 1.925 2.531 1.00 . A A . 23 LYS HD2 1 1
3 1391 1 1 23 LYS HD3 H 4.839 1.879 0.795 1.00 . A A . 23 LYS HD3 1 1
3 1392 1 1 23 LYS HE2 H 3.240 3.351 1.823 1.00 . A A . 23 LYS HE2 1 1
3 1393 1 1 23 LYS HE3 H 2.398 1.899 1.288 1.00 . A A . 23 LYS HE3 1 1
3 1394 1 1 23 LYS HG2 H 4.013 -0.208 2.814 1.00 . A A . 23 LYS HG2 1 1
3 1395 1 1 23 LYS HG3 H 5.313 -0.356 1.634 1.00 . A A . 23 LYS HG3 1 1
3 1396 1 1 23 LYS HZ1 H 2.435 1.074 3.549 1.00 . A A . 23 LYS HZ1 1 1
3 1397 1 1 23 LYS HZ2 H 1.702 2.596 3.501 1.00 . A A . 23 LYS HZ2 1 1
3 1398 1 1 23 LYS HZ3 H 3.287 2.439 4.067 1.00 . A A . 23 LYS HZ3 1 1
3 1399 1 1 23 LYS N N 2.634 -0.611 -1.558 1.00 . A A . 23 LYS N 1 1
3 1400 1 1 23 LYS NZ N 2.600 2.084 3.372 1.00 . A A . 23 LYS NZ 1 1
3 1401 1 1 23 LYS O O 5.932 0.379 -1.179 1.00 . A A . 23 LYS O 1 1
3 1402 1 1 24 . C C 7.085 -1.288 -4.128 1.00 . A A . 24 HMR C 1 1
3 1403 1 1 24 . CA C 6.446 -2.216 -1.854 1.00 . A A . 24 HMR CA 1 1
3 1404 1 1 24 . CB C 6.749 -3.586 -1.232 1.00 . A A . 24 HMR CB 1 1
3 1405 1 1 24 . CD C 8.361 -5.497 -0.978 1.00 . A A . 24 HMR CD 1 1
3 1406 1 1 24 . CG C 8.049 -4.207 -1.714 1.00 . A A . 24 HMR CG 1 1
3 1407 1 1 24 . CH2 C 6.369 -2.381 -3.373 1.00 . A A . 24 HMR CH2 1 1
3 1408 1 1 24 . CZ C 10.044 -7.304 -1.061 1.00 . A A . 24 HMR CZ 1 1
3 1409 1 1 24 . H H 4.436 -2.356 -1.260 1.00 . A A . 24 HMR H 1 1
3 1410 1 1 24 . HA H 7.200 -1.453 -1.593 1.00 . A A . 24 HMR HA 1 1
3 1411 1 1 24 . HB2 H 5.942 -4.263 -1.470 1.00 . A A . 24 HMR HB2 1 1
3 1412 1 1 24 . HB3 H 6.807 -3.473 -0.161 1.00 . A A . 24 HMR HB3 1 1
3 1413 1 1 24 . HC1 H 6.810 -3.323 -3.645 1.00 . A A . 24 HMR HC1 1 1
3 1414 1 1 24 . HC2 H 5.333 -2.375 -3.675 1.00 . A A . 24 HMR HC2 1 1
3 1415 1 1 24 . HD2 H 7.498 -6.144 -1.029 1.00 . A A . 24 HMR HD2 1 1
3 1416 1 1 24 . HD3 H 8.576 -5.264 0.054 1.00 . A A . 24 HMR HD3 1 1
3 1417 1 1 24 . HE H 9.908 -5.793 -2.367 1.00 . A A . 24 HMR HE 1 1
3 1418 1 1 24 . HG2 H 8.852 -3.506 -1.550 1.00 . A A . 24 HMR HG2 1 1
3 1419 1 1 24 . HG3 H 7.965 -4.422 -2.767 1.00 . A A . 24 HMR HG3 1 1
3 1420 1 1 24 . HH1 H 11.458 -7.461 -2.503 1.00 . A A . 24 HMR HH1 1 1
3 1421 1 1 24 . HH2 H 11.482 -8.711 -1.303 1.00 . A A . 24 HMR HH2 1 1
3 1422 1 1 24 . HH21 H 8.753 -7.452 0.495 1.00 . A A . 24 HMR HH21 1 1
3 1423 1 1 24 . HH22 H 9.944 -8.706 0.405 1.00 . A A . 24 HMR HH22 1 1
3 1424 1 1 24 . N N 5.190 -1.731 -1.370 1.00 . A A . 24 HMR N 1 1
3 1425 1 1 24 . NE N 9.511 -6.187 -1.557 1.00 . A A . 24 HMR NE 1 1
3 1426 1 1 24 . NH1 N 11.077 -7.869 -1.672 1.00 . A A . 24 HMR NH1 1 1
3 1427 1 1 24 . NH2 N 9.539 -7.863 0.034 1.00 . A A . 24 HMR NH2 1 1
3 1428 1 1 24 . O O 8.276 -1.387 -4.419 1.00 . A A . 24 HMR O 1 1
3 1429 1 1 25 THR C C 7.618 1.893 -4.396 1.00 . A A . 25 THR C 1 1
3 1430 1 1 25 THR CA C 6.875 0.858 -5.250 1.00 . A A . 25 THR CA 1 1
3 1431 1 1 25 THR CB C 5.754 1.538 -6.076 1.00 . A A . 25 THR CB 1 1
3 1432 1 1 25 THR CG2 C 4.847 2.397 -5.205 1.00 . A A . 25 THR CG2 1 1
3 1433 1 1 25 THR H H 5.423 -0.170 -4.105 1.00 . A A . 25 THR H 1 1
3 1434 1 1 25 THR HA H 7.579 0.425 -5.944 1.00 . A A . 25 THR HA 1 1
3 1435 1 1 25 THR HB H 5.153 0.764 -6.531 1.00 . A A . 25 THR HB 1 1
3 1436 1 1 25 THR HG1 H 7.029 1.860 -7.545 1.00 . A A . 25 THR HG1 1 1
3 1437 1 1 25 THR HG21 H 4.106 2.879 -5.825 1.00 . A A . 25 THR HG21 1 1
3 1438 1 1 25 THR HG22 H 5.436 3.148 -4.701 1.00 . A A . 25 THR HG22 1 1
3 1439 1 1 25 THR HG23 H 4.354 1.777 -4.474 1.00 . A A . 25 THR HG23 1 1
3 1440 1 1 25 THR N N 6.349 -0.225 -4.436 1.00 . A A . 25 THR N 1 1
3 1441 1 1 25 THR O O 8.513 2.587 -4.886 1.00 . A A . 25 THR O 1 1
3 1442 1 1 25 THR OG1 O 6.319 2.351 -7.111 1.00 . A A . 25 THR OG1 1 1
3 1443 1 1 26 HIS C C 9.089 2.202 -1.509 1.00 . A A . 26 HIS C 1 1
3 1444 1 1 26 HIS CA C 7.951 2.916 -2.224 1.00 . A A . 26 HIS CA 1 1
3 1445 1 1 26 HIS CB C 7.007 3.503 -1.172 1.00 . A A . 26 HIS CB 1 1
3 1446 1 1 26 HIS CD2 C 4.489 3.910 -1.534 1.00 . A A . 26 HIS CD2 1 1
3 1447 1 1 26 HIS CE1 C 4.553 5.768 -2.667 1.00 . A A . 26 HIS CE1 1 1
3 1448 1 1 26 HIS CG C 5.799 4.211 -1.704 1.00 . A A . 26 HIS CG 1 1
3 1449 1 1 26 HIS H H 6.544 1.421 -2.766 1.00 . A A . 26 HIS H 1 1
3 1450 1 1 26 HIS HA H 8.358 3.717 -2.823 1.00 . A A . 26 HIS HA 1 1
3 1451 1 1 26 HIS HB2 H 6.655 2.702 -0.539 1.00 . A A . 26 HIS HB2 1 1
3 1452 1 1 26 HIS HB3 H 7.559 4.206 -0.564 1.00 . A A . 26 HIS HB3 1 1
3 1453 1 1 26 HIS HD1 H 6.637 5.882 -2.725 1.00 . A A . 26 HIS HD1 1 1
3 1454 1 1 26 HIS HD2 H 4.093 3.054 -1.014 1.00 . A A . 26 HIS HD2 1 1
3 1455 1 1 26 HIS HE1 H 4.248 6.659 -3.196 1.00 . A A . 26 HIS HE1 1 1
3 1456 1 1 26 HIS N N 7.266 1.990 -3.118 1.00 . A A . 26 HIS N 1 1
3 1457 1 1 26 HIS ND1 N 5.831 5.397 -2.437 1.00 . A A . 26 HIS ND1 1 1
3 1458 1 1 26 HIS NE2 N 3.740 4.892 -2.136 1.00 . A A . 26 HIS NE2 1 1
3 1459 1 1 26 HIS O O 10.245 2.620 -1.572 1.00 . A A . 26 HIS O 1 1
3 1460 1 1 27 . C C 11.138 -1.749 -0.474 1.00 . A A . 27 B3T C 1 1
3 1461 1 1 27 . CA C 9.781 -1.095 -0.647 1.00 . A A . 27 B3T CA 1 1
3 1462 1 1 27 . CB C 9.722 0.330 -0.084 1.00 . A A . 27 B3T CB 1 1
3 1463 1 1 27 . CD2 C 9.459 1.716 2.002 1.00 . A A . 27 B3T CD2 1 1
3 1464 1 1 27 . CG C 9.397 0.315 1.414 1.00 . A A . 27 B3T CG 1 1
3 1465 1 1 27 . H1D2 H 8.752 2.352 1.491 1.00 . A A . 27 B3T H1D2 1 1
3 1466 1 1 27 . H2D2 H 10.454 2.114 1.879 1.00 . A A . 27 B3T H2D2 1 1
3 1467 1 1 27 . H3D2 H 9.214 1.676 3.053 1.00 . A A . 27 B3T H3D2 1 1
3 1468 1 1 27 . HA H 9.549 -1.063 -1.700 1.00 . A A . 27 B3T HA 1 1
3 1469 1 1 27 . HAA H 9.046 -1.702 -0.142 1.00 . A A . 27 B3T HAA 1 1
3 1470 1 1 27 . HB H 10.681 0.795 -0.188 1.00 . A A . 27 B3T HB 1 1
3 1471 1 1 27 . HG H 10.126 -0.301 1.914 1.00 . A A . 27 B3T HG 1 1
3 1472 1 1 27 . HN H 7.801 0.834 -0.827 1.00 . A A . 27 B3T HN 1 1
3 1473 1 1 27 . HOD1 H 8.129 -1.199 1.503 1.00 . A A . 27 B3T HOD1 1 1
3 1474 1 1 27 . N N 8.744 1.116 -0.832 1.00 . A A . 27 B3T N 1 1
3 1475 1 1 27 . O O 11.762 -1.629 0.582 1.00 . A A . 27 B3T O 1 1
3 1476 1 1 27 . OD1 O 8.090 -0.240 1.624 1.00 . A A . 27 B3T OD1 1 1
3 1477 1 1 28 GLY C C 12.955 -4.213 -0.413 1.00 . A A . 28 GLY C 1 1
3 1478 1 1 28 GLY CA C 12.887 -3.107 -1.451 1.00 . A A . 28 GLY CA 1 1
3 1479 1 1 28 GLY H H 11.025 -2.566 -2.299 1.00 . A A . 28 GLY H 1 1
3 1480 1 1 28 GLY HA2 H 13.104 -3.529 -2.422 1.00 . A A . 28 GLY HA2 1 1
3 1481 1 1 28 GLY HA3 H 13.633 -2.364 -1.220 1.00 . A A . 28 GLY HA3 1 1
3 1482 1 1 28 GLY N N 11.585 -2.465 -1.500 1.00 . A A . 28 GLY N 1 1
3 1483 1 1 28 GLY O O 12.520 -5.336 -0.664 1.00 . A A . 28 GLY O 1 1
3 1484 1 1 29 GLU C C 12.286 -4.933 2.610 1.00 . A A . 29 GLU C 1 1
3 1485 1 1 29 GLU CA C 13.605 -4.853 1.847 1.00 . A A . 29 GLU CA 1 1
3 1486 1 1 29 GLU CB C 14.724 -4.449 2.811 1.00 . A A . 29 GLU CB 1 1
3 1487 1 1 29 GLU CD C 16.586 -5.785 1.733 1.00 . A A . 29 GLU CD 1 1
3 1488 1 1 29 GLU CG C 16.108 -4.419 2.183 1.00 . A A . 29 GLU CG 1 1
3 1489 1 1 29 GLU H H 13.856 -2.986 0.879 1.00 . A A . 29 GLU H 1 1
3 1490 1 1 29 GLU HA H 13.830 -5.819 1.424 1.00 . A A . 29 GLU HA 1 1
3 1491 1 1 29 GLU HB2 H 14.509 -3.467 3.199 1.00 . A A . 29 GLU HB2 1 1
3 1492 1 1 29 GLU HB3 H 14.745 -5.149 3.631 1.00 . A A . 29 GLU HB3 1 1
3 1493 1 1 29 GLU HG2 H 16.083 -3.767 1.323 1.00 . A A . 29 GLU HG2 1 1
3 1494 1 1 29 GLU HG3 H 16.807 -4.031 2.908 1.00 . A A . 29 GLU HG3 1 1
3 1495 1 1 29 GLU N N 13.505 -3.894 0.752 1.00 . A A . 29 GLU N 1 1
3 1496 1 1 29 GLU O O 11.938 -5.974 3.169 1.00 . A A . 29 GLU O 1 1
3 1497 1 1 29 GLU OE1 O 16.940 -6.609 2.599 1.00 . A A . 29 GLU OE1 1 1
3 1498 1 1 29 GLU OE2 O 16.601 -6.046 0.511 1.00 . A A . 29 GLU OE2 1 1
3 1499 1 1 30 LYS C C 9.113 -3.964 2.473 1.00 . A A . 30 LYS C 1 1
3 1500 1 1 30 LYS CA C 10.312 -3.759 3.386 1.00 . A A . 30 LYS CA 1 1
3 1501 1 1 30 LYS CB C 10.203 -2.418 4.116 1.00 . A A . 30 LYS CB 1 1
3 1502 1 1 30 LYS CD C 11.166 -0.850 5.829 1.00 . A A . 30 LYS CD 1 1
3 1503 1 1 30 LYS CE C 12.236 -0.668 6.891 1.00 . A A . 30 LYS CE 1 1
3 1504 1 1 30 LYS CG C 11.303 -2.197 5.141 1.00 . A A . 30 LYS CG 1 1
3 1505 1 1 30 LYS H H 11.846 -3.049 2.111 1.00 . A A . 30 LYS H 1 1
3 1506 1 1 30 LYS HA H 10.327 -4.555 4.118 1.00 . A A . 30 LYS HA 1 1
3 1507 1 1 30 LYS HB2 H 10.252 -1.622 3.392 1.00 . A A . 30 LYS HB2 1 1
3 1508 1 1 30 LYS HB3 H 9.252 -2.372 4.626 1.00 . A A . 30 LYS HB3 1 1
3 1509 1 1 30 LYS HD2 H 11.268 -0.066 5.091 1.00 . A A . 30 LYS HD2 1 1
3 1510 1 1 30 LYS HD3 H 10.194 -0.788 6.294 1.00 . A A . 30 LYS HD3 1 1
3 1511 1 1 30 LYS HE2 H 12.136 -1.458 7.620 1.00 . A A . 30 LYS HE2 1 1
3 1512 1 1 30 LYS HE3 H 13.206 -0.735 6.421 1.00 . A A . 30 LYS HE3 1 1
3 1513 1 1 30 LYS HG2 H 11.248 -2.977 5.885 1.00 . A A . 30 LYS HG2 1 1
3 1514 1 1 30 LYS HG3 H 12.261 -2.241 4.641 1.00 . A A . 30 LYS HG3 1 1
3 1515 1 1 30 LYS HZ1 H 12.790 0.691 8.373 1.00 . A A . 30 LYS HZ1 1 1
3 1516 1 1 30 LYS HZ2 H 11.158 0.776 7.943 1.00 . A A . 30 LYS HZ2 1 1
3 1517 1 1 30 LYS HZ3 H 12.337 1.414 6.915 1.00 . A A . 30 LYS HZ3 1 1
3 1518 1 1 30 LYS N N 11.553 -3.831 2.630 1.00 . A A . 30 LYS N 1 1
3 1519 1 1 30 LYS NZ N 12.120 0.643 7.578 1.00 . A A . 30 LYS NZ 1 1
3 1520 1 1 30 LYS O O 8.524 -3.008 1.961 1.00 . A A . 30 LYS O 1 1
3 1521 1 1 31 NH2 HN1 H 9.263 -5.926 2.719 1.00 . A A . 31 NH2 HN1 1 1
3 1522 1 1 31 NH2 HN2 H 7.964 -5.385 1.713 1.00 . A A . 31 NH2 HN2 1 1
3 1523 1 1 31 NH2 N N 8.744 -5.215 2.279 1.00 . A A . 31 NH2 N 1 1
3 1524 2 2 1 ZN ZN ZN 1.748 4.942 -2.155 1.00 . B A . 101 ZN ZN 1 1
4 1525 1 1 1 PRO C C -9.398 0.539 3.301 1.00 . A A . 1 PRO C 1 1
4 1526 1 1 1 PRO CA C -10.747 0.330 2.630 1.00 . A A . 1 PRO CA 1 1
4 1527 1 1 1 PRO CB C -10.819 1.111 1.333 1.00 . A A . 1 PRO CB 1 1
4 1528 1 1 1 PRO CD C -12.658 1.741 2.740 1.00 . A A . 1 PRO CD 1 1
4 1529 1 1 1 PRO CG C -12.230 1.569 1.297 1.00 . A A . 1 PRO CG 1 1
4 1530 1 1 1 PRO H2 H -11.370 1.142 4.365 1.00 . A A . 1 PRO H2 1 1
4 1531 1 1 1 PRO H3 H -12.286 -0.104 3.856 1.00 . A A . 1 PRO H3 1 1
4 1532 1 1 1 PRO HA H -10.880 -0.724 2.423 1.00 . A A . 1 PRO HA 1 1
4 1533 1 1 1 PRO HB2 H -10.129 1.942 1.367 1.00 . A A . 1 PRO HB2 1 1
4 1534 1 1 1 PRO HB3 H -10.588 0.467 0.496 1.00 . A A . 1 PRO HB3 1 1
4 1535 1 1 1 PRO HD2 H -12.462 2.751 3.066 1.00 . A A . 1 PRO HD2 1 1
4 1536 1 1 1 PRO HD3 H -13.709 1.517 2.844 1.00 . A A . 1 PRO HD3 1 1
4 1537 1 1 1 PRO HG2 H -12.292 2.512 0.773 1.00 . A A . 1 PRO HG2 1 1
4 1538 1 1 1 PRO HG3 H -12.846 0.829 0.809 1.00 . A A . 1 PRO HG3 1 1
4 1539 1 1 1 PRO N N -11.842 0.780 3.518 1.00 . A A . 1 PRO N 1 1
4 1540 1 1 1 PRO O O -9.279 1.317 4.250 1.00 . A A . 1 PRO O 1 1
4 1541 1 1 2 PHE C C -6.315 1.118 2.746 1.00 . A A . 2 PHE C 1 1
4 1542 1 1 2 PHE CA C -7.048 -0.061 3.366 1.00 . A A . 2 PHE CA 1 1
4 1543 1 1 2 PHE CB C -6.272 -1.354 3.111 1.00 . A A . 2 PHE CB 1 1
4 1544 1 1 2 PHE CD1 C -7.763 -3.364 3.134 1.00 . A A . 2 PHE CD1 1 1
4 1545 1 1 2 PHE CD2 C -6.525 -2.859 5.104 1.00 . A A . 2 PHE CD2 1 1
4 1546 1 1 2 PHE CE1 C -8.313 -4.466 3.759 1.00 . A A . 2 PHE CE1 1 1
4 1547 1 1 2 PHE CE2 C -7.070 -3.958 5.735 1.00 . A A . 2 PHE CE2 1 1
4 1548 1 1 2 PHE CG C -6.864 -2.550 3.798 1.00 . A A . 2 PHE CG 1 1
4 1549 1 1 2 PHE CZ C -7.952 -4.761 5.075 1.00 . A A . 2 PHE CZ 1 1
4 1550 1 1 2 PHE H H -8.533 -0.729 2.022 1.00 . A A . 2 PHE H 1 1
4 1551 1 1 2 PHE HA H -7.139 0.096 4.429 1.00 . A A . 2 PHE HA 1 1
4 1552 1 1 2 PHE HB2 H -6.253 -1.553 2.049 1.00 . A A . 2 PHE HB2 1 1
4 1553 1 1 2 PHE HB3 H -5.258 -1.234 3.467 1.00 . A A . 2 PHE HB3 1 1
4 1554 1 1 2 PHE HD1 H -8.033 -3.134 2.114 1.00 . A A . 2 PHE HD1 1 1
4 1555 1 1 2 PHE HD2 H -5.823 -2.229 5.633 1.00 . A A . 2 PHE HD2 1 1
4 1556 1 1 2 PHE HE1 H -9.013 -5.093 3.230 1.00 . A A . 2 PHE HE1 1 1
4 1557 1 1 2 PHE HE2 H -6.798 -4.189 6.754 1.00 . A A . 2 PHE HE2 1 1
4 1558 1 1 2 PHE HZ H -8.374 -5.622 5.570 1.00 . A A . 2 PHE HZ 1 1
4 1559 1 1 2 PHE N N -8.385 -0.155 2.806 1.00 . A A . 2 PHE N 1 1
4 1560 1 1 2 PHE O O -6.440 1.361 1.548 1.00 . A A . 2 PHE O 1 1
4 1561 1 1 3 . C C -3.343 2.938 3.016 1.00 . A A . 3 9KK C 1 1
4 1562 1 1 3 . CA C -4.862 3.056 2.991 1.00 . A A . 3 9KK CA 1 1
4 1563 1 1 3 . CB C -5.317 4.212 3.888 1.00 . A A . 3 9KK CB 1 1
4 1564 1 1 3 . CD C -7.182 5.734 4.623 1.00 . A A . 3 9KK CD 1 1
4 1565 1 1 3 . CE C -6.472 6.981 4.136 1.00 . A A . 3 9KK CE 1 1
4 1566 1 1 3 . CG C -6.798 4.537 3.769 1.00 . A A . 3 9KK CG 1 1
4 1567 1 1 3 . CM C -5.388 1.522 4.964 1.00 . A A . 3 9KK CM 1 1
4 1568 1 1 3 . HA H -5.178 3.252 1.976 1.00 . A A . 3 9KK HA 1 1
4 1569 1 1 3 . HB2 H -4.755 5.094 3.622 1.00 . A A . 3 9KK HB2 1 1
4 1570 1 1 3 . HB3 H -5.107 3.959 4.917 1.00 . A A . 3 9KK HB3 1 1
4 1571 1 1 3 . HD2 H -6.898 5.550 5.648 1.00 . A A . 3 9KK HD2 1 1
4 1572 1 1 3 . HD3 H -8.247 5.895 4.558 1.00 . A A . 3 9KK HD3 1 1
4 1573 1 1 3 . HE1 H -5.404 6.849 4.228 1.00 . A A . 3 9KK HE1 1 1
4 1574 1 1 3 . HE2 H -6.782 7.827 4.732 1.00 . A A . 3 9KK HE2 1 1
4 1575 1 1 3 . HE3 H -6.724 7.159 3.101 1.00 . A A . 3 9KK HE3 1 1
4 1576 1 1 3 . HG2 H -7.373 3.679 4.090 1.00 . A A . 3 9KK HG2 1 1
4 1577 1 1 3 . HG3 H -7.024 4.756 2.740 1.00 . A A . 3 9KK HG3 1 1
4 1578 1 1 3 . HM1 H -4.532 2.040 5.369 1.00 . A A . 3 9KK HM1 1 1
4 1579 1 1 3 . HM2 H -5.238 0.457 5.055 1.00 . A A . 3 9KK HM2 1 1
4 1580 1 1 3 . HM3 H -6.274 1.810 5.510 1.00 . A A . 3 9KK HM3 1 1
4 1581 1 1 3 . N N -5.550 1.877 3.535 1.00 . A A . 3 9KK N 1 1
4 1582 1 1 3 . O O -2.757 2.286 3.885 1.00 . A A . 3 9KK O 1 1
4 1583 1 1 4 CYS C C -0.823 4.649 3.101 1.00 . A A . 4 CYS C 1 1
4 1584 1 1 4 CYS CA C -1.265 3.661 2.027 1.00 . A A . 4 CYS CA 1 1
4 1585 1 1 4 CYS CB C -0.761 4.099 0.647 1.00 . A A . 4 CYS CB 1 1
4 1586 1 1 4 CYS H H -3.228 3.956 1.305 1.00 . A A . 4 CYS H 1 1
4 1587 1 1 4 CYS HA H -0.861 2.690 2.261 1.00 . A A . 4 CYS HA 1 1
4 1588 1 1 4 CYS HB2 H -0.988 3.329 -0.076 1.00 . A A . 4 CYS HB2 1 1
4 1589 1 1 4 CYS HB3 H -1.258 5.014 0.363 1.00 . A A . 4 CYS HB3 1 1
4 1590 1 1 4 CYS N N -2.708 3.559 2.039 1.00 . A A . 4 CYS N 1 1
4 1591 1 1 4 CYS O O -0.064 4.288 4.000 1.00 . A A . 4 CYS O 1 1
4 1592 1 1 4 CYS SG S 1.020 4.394 0.606 1.00 . A A . 4 CYS SG 1 1
4 1593 1 1 5 THR C C 0.515 7.109 4.117 1.00 . A A . 5 THR C 1 1
4 1594 1 1 5 THR CA C -1.002 6.911 3.995 1.00 . A A . 5 THR CA 1 1
4 1595 1 1 5 THR CB C -1.603 6.558 5.372 1.00 . A A . 5 THR CB 1 1
4 1596 1 1 5 THR CG2 C -1.757 7.800 6.239 1.00 . A A . 5 THR CG2 1 1
4 1597 1 1 5 THR H H -1.908 6.101 2.268 1.00 . A A . 5 THR H 1 1
4 1598 1 1 5 THR HA H -1.447 7.835 3.658 1.00 . A A . 5 THR HA 1 1
4 1599 1 1 5 THR HB H -0.944 5.863 5.872 1.00 . A A . 5 THR HB 1 1
4 1600 1 1 5 THR HG1 H -3.465 6.192 5.929 1.00 . A A . 5 THR HG1 1 1
4 1601 1 1 5 THR HG21 H -2.151 7.519 7.204 1.00 . A A . 5 THR HG21 1 1
4 1602 1 1 5 THR HG22 H -2.435 8.493 5.761 1.00 . A A . 5 THR HG22 1 1
4 1603 1 1 5 THR HG23 H -0.793 8.270 6.367 1.00 . A A . 5 THR HG23 1 1
4 1604 1 1 5 THR N N -1.314 5.879 3.012 1.00 . A A . 5 THR N 1 1
4 1605 1 1 5 THR O O 1.062 7.253 5.214 1.00 . A A . 5 THR O 1 1
4 1606 1 1 5 THR OG1 O -2.890 5.947 5.194 1.00 . A A . 5 THR OG1 1 1
4 1607 1 1 6 TRP C C 2.760 8.855 2.640 1.00 . A A . 6 TRP C 1 1
4 1608 1 1 6 TRP CA C 2.608 7.365 2.909 1.00 . A A . 6 TRP CA 1 1
4 1609 1 1 6 TRP CB C 3.255 6.531 1.793 1.00 . A A . 6 TRP CB 1 1
4 1610 1 1 6 TRP CD1 C 5.577 7.479 1.254 1.00 . A A . 6 TRP CD1 1 1
4 1611 1 1 6 TRP CD2 C 5.614 5.499 2.293 1.00 . A A . 6 TRP CD2 1 1
4 1612 1 1 6 TRP CE2 C 6.940 5.908 2.060 1.00 . A A . 6 TRP CE2 1 1
4 1613 1 1 6 TRP CE3 C 5.392 4.277 2.930 1.00 . A A . 6 TRP CE3 1 1
4 1614 1 1 6 TRP CG C 4.757 6.527 1.784 1.00 . A A . 6 TRP CG 1 1
4 1615 1 1 6 TRP CH2 C 7.786 3.945 3.061 1.00 . A A . 6 TRP CH2 1 1
4 1616 1 1 6 TRP CZ2 C 8.036 5.136 2.441 1.00 . A A . 6 TRP CZ2 1 1
4 1617 1 1 6 TRP CZ3 C 6.480 3.513 3.306 1.00 . A A . 6 TRP CZ3 1 1
4 1618 1 1 6 TRP H H 0.712 6.840 2.153 1.00 . A A . 6 TRP H 1 1
4 1619 1 1 6 TRP HA H 3.062 7.122 3.858 1.00 . A A . 6 TRP HA 1 1
4 1620 1 1 6 TRP HB2 H 2.929 5.509 1.890 1.00 . A A . 6 TRP HB2 1 1
4 1621 1 1 6 TRP HB3 H 2.925 6.910 0.844 1.00 . A A . 6 TRP HB3 1 1
4 1622 1 1 6 TRP HD1 H 5.230 8.386 0.785 1.00 . A A . 6 TRP HD1 1 1
4 1623 1 1 6 TRP HE1 H 7.670 7.649 1.147 1.00 . A A . 6 TRP HE1 1 1
4 1624 1 1 6 TRP HE3 H 4.392 3.925 3.128 1.00 . A A . 6 TRP HE3 1 1
4 1625 1 1 6 TRP HH2 H 8.605 3.315 3.371 1.00 . A A . 6 TRP HH2 1 1
4 1626 1 1 6 TRP HZ2 H 9.051 5.456 2.259 1.00 . A A . 6 TRP HZ2 1 1
4 1627 1 1 6 TRP HZ3 H 6.327 2.566 3.798 1.00 . A A . 6 TRP HZ3 1 1
4 1628 1 1 6 TRP N N 1.189 7.067 2.978 1.00 . A A . 6 TRP N 1 1
4 1629 1 1 6 TRP NE1 N 6.890 7.121 1.432 1.00 . A A . 6 TRP NE1 1 1
4 1630 1 1 6 TRP O O 1.798 9.499 2.219 1.00 . A A . 6 TRP O 1 1
4 1631 1 1 7 ABA C C 3.874 11.188 1.218 1.00 . A A . 7 AIB C 1 1
4 1632 1 1 7 ABA CA C 4.223 10.817 2.674 1.00 . A A . 7 AIB CA 1 1
4 1633 1 1 7 ABA H H 4.643 8.830 3.280 1.00 . A A . 7 AIB H 1 1
4 1634 1 1 7 ABA N N 3.939 9.397 2.908 1.00 . A A . 7 AIB N 1 1
4 1635 1 1 7 ABA O O 4.590 10.814 0.287 1.00 . A A . 7 AIB O 1 1
4 1636 1 1 8 GLY C C 1.653 11.274 -1.097 1.00 . A A . 8 GLY C 1 1
4 1637 1 1 8 GLY CA C 2.374 12.344 -0.297 1.00 . A A . 8 GLY CA 1 1
4 1638 1 1 8 GLY H H 2.211 12.137 1.801 1.00 . A A . 8 GLY H 1 1
4 1639 1 1 8 GLY HA2 H 1.723 13.200 -0.199 1.00 . A A . 8 GLY HA2 1 1
4 1640 1 1 8 GLY HA3 H 3.262 12.642 -0.839 1.00 . A A . 8 GLY HA3 1 1
4 1641 1 1 8 GLY N N 2.766 11.902 1.030 1.00 . A A . 8 GLY N 1 1
4 1642 1 1 8 GLY O O 1.486 11.407 -2.310 1.00 . A A . 8 GLY O 1 1
4 1643 1 1 9 CYS C C -0.560 8.520 -0.257 1.00 . A A . 9 CYS C 1 1
4 1644 1 1 9 CYS CA C 0.572 9.106 -1.104 1.00 . A A . 9 CYS CA 1 1
4 1645 1 1 9 CYS CB C 1.614 8.036 -1.414 1.00 . A A . 9 CYS CB 1 1
4 1646 1 1 9 CYS H H 1.345 10.178 0.545 1.00 . A A . 9 CYS H 1 1
4 1647 1 1 9 CYS HA H 0.163 9.474 -2.032 1.00 . A A . 9 CYS HA 1 1
4 1648 1 1 9 CYS HB2 H 2.442 8.489 -1.939 1.00 . A A . 9 CYS HB2 1 1
4 1649 1 1 9 CYS HB3 H 1.970 7.627 -0.487 1.00 . A A . 9 CYS HB3 1 1
4 1650 1 1 9 CYS N N 1.217 10.217 -0.427 1.00 . A A . 9 CYS N 1 1
4 1651 1 1 9 CYS O O -0.345 7.599 0.536 1.00 . A A . 9 CYS O 1 1
4 1652 1 1 9 CYS SG S 1.007 6.667 -2.418 1.00 . A A . 9 CYS SG 1 1
4 1653 1 1 10 GLY C C -3.757 7.599 -0.504 1.00 . A A . 10 GLY C 1 1
4 1654 1 1 10 GLY CA C -2.916 8.563 0.311 1.00 . A A . 10 GLY CA 1 1
4 1655 1 1 10 GLY H H -1.880 9.779 -1.078 1.00 . A A . 10 GLY H 1 1
4 1656 1 1 10 GLY HA2 H -2.570 8.060 1.202 1.00 . A A . 10 GLY HA2 1 1
4 1657 1 1 10 GLY HA3 H -3.527 9.404 0.599 1.00 . A A . 10 GLY HA3 1 1
4 1658 1 1 10 GLY N N -1.765 9.049 -0.434 1.00 . A A . 10 GLY N 1 1
4 1659 1 1 10 GLY O O -4.985 7.686 -0.511 1.00 . A A . 10 GLY O 1 1
4 1660 1 1 11 LYS C C -4.624 4.748 -1.231 1.00 . A A . 11 LYS C 1 1
4 1661 1 1 11 LYS CA C -3.746 5.698 -2.048 1.00 . A A . 11 LYS CA 1 1
4 1662 1 1 11 LYS CB C -2.688 4.891 -2.807 1.00 . A A . 11 LYS CB 1 1
4 1663 1 1 11 LYS CD C -2.665 6.001 -5.061 1.00 . A A . 11 LYS CD 1 1
4 1664 1 1 11 LYS CE C -1.829 6.777 -6.063 1.00 . A A . 11 LYS CE 1 1
4 1665 1 1 11 LYS CG C -1.877 5.705 -3.800 1.00 . A A . 11 LYS CG 1 1
4 1666 1 1 11 LYS H H -2.111 6.679 -1.136 1.00 . A A . 11 LYS H 1 1
4 1667 1 1 11 LYS HA H -4.363 6.227 -2.755 1.00 . A A . 11 LYS HA 1 1
4 1668 1 1 11 LYS HB2 H -2.007 4.458 -2.091 1.00 . A A . 11 LYS HB2 1 1
4 1669 1 1 11 LYS HB3 H -3.181 4.093 -3.345 1.00 . A A . 11 LYS HB3 1 1
4 1670 1 1 11 LYS HD2 H -2.970 5.066 -5.509 1.00 . A A . 11 LYS HD2 1 1
4 1671 1 1 11 LYS HD3 H -3.537 6.582 -4.804 1.00 . A A . 11 LYS HD3 1 1
4 1672 1 1 11 LYS HE2 H -1.651 7.769 -5.675 1.00 . A A . 11 LYS HE2 1 1
4 1673 1 1 11 LYS HE3 H -0.886 6.271 -6.198 1.00 . A A . 11 LYS HE3 1 1
4 1674 1 1 11 LYS HG2 H -1.596 6.639 -3.338 1.00 . A A . 11 LYS HG2 1 1
4 1675 1 1 11 LYS HG3 H -0.987 5.149 -4.062 1.00 . A A . 11 LYS HG3 1 1
4 1676 1 1 11 LYS HZ1 H -1.907 7.414 -8.046 1.00 . A A . 11 LYS HZ1 1 1
4 1677 1 1 11 LYS HZ2 H -3.411 7.395 -7.278 1.00 . A A . 11 LYS HZ2 1 1
4 1678 1 1 11 LYS HZ3 H -2.694 5.942 -7.768 1.00 . A A . 11 LYS HZ3 1 1
4 1679 1 1 11 LYS N N -3.086 6.686 -1.196 1.00 . A A . 11 LYS N 1 1
4 1680 1 1 11 LYS NZ N -2.508 6.890 -7.379 1.00 . A A . 11 LYS NZ 1 1
4 1681 1 1 11 LYS O O -4.301 4.435 -0.085 1.00 . A A . 11 LYS O 1 1
4 1682 1 1 12 . C C -6.799 1.995 -1.873 1.00 . A A . 12 MMO C 1 1
4 1683 1 1 12 . CA C -6.612 3.305 -1.103 1.00 . A A . 12 MMO CA 1 1
4 1684 1 1 12 . CB C -7.954 4.024 -0.936 1.00 . A A . 12 MMO CB 1 1
4 1685 1 1 12 . CD C -9.263 5.857 0.169 1.00 . A A . 12 MMO CD 1 1
4 1686 1 1 12 . CG C -7.891 5.235 -0.021 1.00 . A A . 12 MMO CG 1 1
4 1687 1 1 12 . CN C -6.123 4.750 -3.158 1.00 . A A . 12 MMO CN 1 1
4 1688 1 1 12 . CZ C -11.096 6.647 -1.285 1.00 . A A . 12 MMO CZ 1 1
4 1689 1 1 12 . HA H -6.211 3.074 -0.128 1.00 . A A . 12 MMO HA 1 1
4 1690 1 1 12 . HC1 H -5.268 4.675 -3.815 1.00 . A A . 12 MMO HC1 1 1
4 1691 1 1 12 . HC2 H -6.448 5.778 -3.104 1.00 . A A . 12 MMO HC2 1 1
4 1692 1 1 12 . HC3 H -6.924 4.138 -3.544 1.00 . A A . 12 MMO HC3 1 1
4 1693 1 1 12 . HCB1 H -8.669 3.328 -0.523 1.00 . A A . 12 MMO HCB1 1 1
4 1694 1 1 12 . HCB2 H -8.300 4.349 -1.905 1.00 . A A . 12 MMO HCB2 1 1
4 1695 1 1 12 . HCD1 H -9.184 6.667 0.879 1.00 . A A . 12 MMO HCD1 1 1
4 1696 1 1 12 . HCD2 H -9.932 5.102 0.556 1.00 . A A . 12 MMO HCD2 1 1
4 1697 1 1 12 . HCG1 H -7.229 5.970 -0.457 1.00 . A A . 12 MMO HCG1 1 1
4 1698 1 1 12 . HCG2 H -7.506 4.929 0.938 1.00 . A A . 12 MMO HCG2 1 1
4 1699 1 1 12 . HE H -9.174 6.524 -1.824 1.00 . A A . 12 MMO HE 1 1
4 1700 1 1 12 . HH11 H -12.471 7.321 -2.611 1.00 . A A . 12 MMO HH11 1 1
4 1701 1 1 12 . HH12 H -10.835 7.276 -3.196 1.00 . A A . 12 MMO HH12 1 1
4 1702 1 1 12 . HH21 H -11.689 6.091 0.572 1.00 . A A . 12 MMO HH21 1 1
4 1703 1 1 12 . HH22 H -12.954 6.654 -0.473 1.00 . A A . 12 MMO HH22 1 1
4 1704 1 1 12 . N N -5.748 4.278 -1.805 1.00 . A A . 12 MMO N 1 1
4 1705 1 1 12 . NE N -9.809 6.374 -1.085 1.00 . A A . 12 MMO NE 1 1
4 1706 1 1 12 . NH1 N -11.501 7.117 -2.458 1.00 . A A . 12 MMO NH1 1 1
4 1707 1 1 12 . NH2 N -11.983 6.447 -0.317 1.00 . A A . 12 MMO NH2 1 1
4 1708 1 1 12 . O O -6.915 1.977 -3.101 1.00 . A A . 12 MMO O 1 1
4 1709 1 1 13 PHE C C -7.921 -1.294 -0.996 1.00 . A A . 13 PHE C 1 1
4 1710 1 1 13 PHE CA C -6.905 -0.430 -1.728 1.00 . A A . 13 PHE CA 1 1
4 1711 1 1 13 PHE CB C -5.525 -1.088 -1.690 1.00 . A A . 13 PHE CB 1 1
4 1712 1 1 13 PHE CD1 C -4.273 -0.689 -3.818 1.00 . A A . 13 PHE CD1 1 1
4 1713 1 1 13 PHE CD2 C -3.775 0.690 -1.939 1.00 . A A . 13 PHE CD2 1 1
4 1714 1 1 13 PHE CE1 C -3.324 -0.026 -4.563 1.00 . A A . 13 PHE CE1 1 1
4 1715 1 1 13 PHE CE2 C -2.826 1.361 -2.682 1.00 . A A . 13 PHE CE2 1 1
4 1716 1 1 13 PHE CG C -4.508 -0.341 -2.500 1.00 . A A . 13 PHE CG 1 1
4 1717 1 1 13 PHE CZ C -2.660 1.079 -3.999 1.00 . A A . 13 PHE CZ 1 1
4 1718 1 1 13 PHE H H -6.812 0.981 -0.159 1.00 . A A . 13 PHE H 1 1
4 1719 1 1 13 PHE HA H -7.214 -0.322 -2.756 1.00 . A A . 13 PHE HA 1 1
4 1720 1 1 13 PHE HB2 H -5.176 -1.122 -0.669 1.00 . A A . 13 PHE HB2 1 1
4 1721 1 1 13 PHE HB3 H -5.596 -2.091 -2.079 1.00 . A A . 13 PHE HB3 1 1
4 1722 1 1 13 PHE HD1 H -4.838 -1.496 -4.262 1.00 . A A . 13 PHE HD1 1 1
4 1723 1 1 13 PHE HD2 H -3.955 0.972 -0.911 1.00 . A A . 13 PHE HD2 1 1
4 1724 1 1 13 PHE HE1 H -3.152 -0.309 -5.592 1.00 . A A . 13 PHE HE1 1 1
4 1725 1 1 13 PHE HE2 H -2.258 2.165 -2.235 1.00 . A A . 13 PHE HE2 1 1
4 1726 1 1 13 PHE HZ H -1.941 1.635 -4.583 1.00 . A A . 13 PHE HZ 1 1
4 1727 1 1 13 PHE N N -6.834 0.898 -1.137 1.00 . A A . 13 PHE N 1 1
4 1728 1 1 13 PHE O O -8.343 -0.975 0.118 1.00 . A A . 13 PHE O 1 1
4 1729 1 1 14 THR C C -8.784 -4.321 -0.169 1.00 . A A . 14 THR C 1 1
4 1730 1 1 14 THR CA C -9.349 -3.259 -1.113 1.00 . A A . 14 THR CA 1 1
4 1731 1 1 14 THR CB C -10.112 -3.936 -2.272 1.00 . A A . 14 THR CB 1 1
4 1732 1 1 14 THR CG2 C -11.332 -4.693 -1.764 1.00 . A A . 14 THR CG2 1 1
4 1733 1 1 14 THR H H -7.873 -2.621 -2.484 1.00 . A A . 14 THR H 1 1
4 1734 1 1 14 THR HA H -10.047 -2.647 -0.564 1.00 . A A . 14 THR HA 1 1
4 1735 1 1 14 THR HB H -9.450 -4.634 -2.765 1.00 . A A . 14 THR HB 1 1
4 1736 1 1 14 THR HG1 H -9.772 -2.673 -3.756 1.00 . A A . 14 THR HG1 1 1
4 1737 1 1 14 THR HG21 H -11.018 -5.464 -1.076 1.00 . A A . 14 THR HG21 1 1
4 1738 1 1 14 THR HG22 H -11.850 -5.143 -2.598 1.00 . A A . 14 THR HG22 1 1
4 1739 1 1 14 THR HG23 H -11.995 -4.007 -1.257 1.00 . A A . 14 THR HG23 1 1
4 1740 1 1 14 THR N N -8.305 -2.389 -1.633 1.00 . A A . 14 THR N 1 1
4 1741 1 1 14 THR O O -9.449 -4.732 0.780 1.00 . A A . 14 THR O 1 1
4 1742 1 1 14 THR OG1 O -10.529 -2.937 -3.217 1.00 . A A . 14 THR OG1 1 1
4 1743 1 1 15 ARG C C -5.633 -5.245 1.015 1.00 . A A . 15 ARG C 1 1
4 1744 1 1 15 ARG CA C -6.927 -5.769 0.416 1.00 . A A . 15 ARG CA 1 1
4 1745 1 1 15 ARG CB C -6.638 -7.029 -0.386 1.00 . A A . 15 ARG CB 1 1
4 1746 1 1 15 ARG CD C -7.508 -8.984 -1.666 1.00 . A A . 15 ARG CD 1 1
4 1747 1 1 15 ARG CG C -7.881 -7.755 -0.863 1.00 . A A . 15 ARG CG 1 1
4 1748 1 1 15 ARG CZ C -8.593 -10.866 -2.816 1.00 . A A . 15 ARG CZ 1 1
4 1749 1 1 15 ARG H H -7.075 -4.418 -1.208 1.00 . A A . 15 ARG H 1 1
4 1750 1 1 15 ARG HA H -7.610 -6.009 1.216 1.00 . A A . 15 ARG HA 1 1
4 1751 1 1 15 ARG HB2 H -6.050 -6.762 -1.249 1.00 . A A . 15 ARG HB2 1 1
4 1752 1 1 15 ARG HB3 H -6.066 -7.706 0.229 1.00 . A A . 15 ARG HB3 1 1
4 1753 1 1 15 ARG HD2 H -6.949 -8.672 -2.533 1.00 . A A . 15 ARG HD2 1 1
4 1754 1 1 15 ARG HD3 H -6.889 -9.622 -1.052 1.00 . A A . 15 ARG HD3 1 1
4 1755 1 1 15 ARG HE H -9.561 -9.393 -1.864 1.00 . A A . 15 ARG HE 1 1
4 1756 1 1 15 ARG HG2 H -8.461 -8.058 -0.004 1.00 . A A . 15 ARG HG2 1 1
4 1757 1 1 15 ARG HG3 H -8.465 -7.089 -1.481 1.00 . A A . 15 ARG HG3 1 1
4 1758 1 1 15 ARG HH11 H -6.566 -10.881 -2.882 1.00 . A A . 15 ARG HH11 1 1
4 1759 1 1 15 ARG HH12 H -7.344 -12.204 -3.688 1.00 . A A . 15 ARG HH12 1 1
4 1760 1 1 15 ARG HH21 H -10.596 -11.139 -2.922 1.00 . A A . 15 ARG HH21 1 1
4 1761 1 1 15 ARG HH22 H -9.637 -12.348 -3.715 1.00 . A A . 15 ARG HH22 1 1
4 1762 1 1 15 ARG N N -7.561 -4.764 -0.428 1.00 . A A . 15 ARG N 1 1
4 1763 1 1 15 ARG NE N -8.672 -9.741 -2.109 1.00 . A A . 15 ARG NE 1 1
4 1764 1 1 15 ARG NH1 N -7.406 -11.354 -3.157 1.00 . A A . 15 ARG NH1 1 1
4 1765 1 1 15 ARG NH2 N -9.695 -11.501 -3.180 1.00 . A A . 15 ARG NH2 1 1
4 1766 1 1 15 ARG O O -4.884 -4.507 0.367 1.00 . A A . 15 ARG O 1 1
4 1767 1 1 16 SER C C -2.923 -5.751 2.338 1.00 . A A . 16 SER C 1 1
4 1768 1 1 16 SER CA C -4.195 -5.232 2.990 1.00 . A A . 16 SER CA 1 1
4 1769 1 1 16 SER CB C -4.287 -5.711 4.438 1.00 . A A . 16 SER CB 1 1
4 1770 1 1 16 SER H H -6.008 -6.274 2.689 1.00 . A A . 16 SER H 1 1
4 1771 1 1 16 SER HA H -4.171 -4.153 2.978 1.00 . A A . 16 SER HA 1 1
4 1772 1 1 16 SER HB2 H -3.339 -5.551 4.928 1.00 . A A . 16 SER HB2 1 1
4 1773 1 1 16 SER HB3 H -5.056 -5.154 4.950 1.00 . A A . 16 SER HB3 1 1
4 1774 1 1 16 SER HG H -3.899 -7.564 4.959 1.00 . A A . 16 SER HG 1 1
4 1775 1 1 16 SER N N -5.375 -5.658 2.252 1.00 . A A . 16 SER N 1 1
4 1776 1 1 16 SER O O -1.881 -5.094 2.382 1.00 . A A . 16 SER O 1 1
4 1777 1 1 16 SER OG O -4.606 -7.093 4.501 1.00 . A A . 16 SER OG 1 1
4 1778 1 1 17 . C C -1.907 -6.827 -1.364 1.00 . A A . 17 B3D C 1 1
4 1779 1 1 17 . CA C -2.233 -7.894 -0.356 1.00 . A A . 17 B3D CA 1 1
4 1780 1 1 17 . CB C -1.868 -7.494 1.072 1.00 . A A . 17 B3D CB 1 1
4 1781 1 1 17 . CD C -0.053 -9.263 1.331 1.00 . A A . 17 B3D CD 1 1
4 1782 1 1 17 . CG C -1.412 -8.768 1.801 1.00 . A A . 17 B3D CG 1 1
4 1783 1 1 17 . H H -3.847 -7.433 1.778 1.00 . A A . 17 B3D H 1 1
4 1784 1 1 17 . HA1 H -1.688 -8.788 -0.616 1.00 . A A . 17 B3D HA1 1 1
4 1785 1 1 17 . HA2 H -3.292 -8.096 -0.405 1.00 . A A . 17 B3D HA2 1 1
4 1786 1 1 17 . HB H -1.094 -6.703 1.061 1.00 . A A . 17 B3D HB 1 1
4 1787 1 1 17 . HG2 H -2.136 -9.550 1.629 1.00 . A A . 17 B3D HG2 1 1
4 1788 1 1 17 . HG3 H -1.354 -8.566 2.858 1.00 . A A . 17 B3D HG3 1 1
4 1789 1 1 17 . N N -3.002 -6.932 1.746 1.00 . A A . 17 B3D N 1 1
4 1790 1 1 17 . O O -0.741 -6.567 -1.667 1.00 . A A . 17 B3D O 1 1
4 1791 1 1 17 . OE1 O 0.000 -10.049 0.360 1.00 . A A . 17 B3D OE1 1 1
4 1792 1 1 17 . OE2 O 0.969 -8.873 1.937 1.00 . A A . 17 B3D OE2 1 1
4 1793 1 1 18 GLU C C -2.109 -3.911 -2.201 1.00 . A A . 18 GLU C 1 1
4 1794 1 1 18 GLU CA C -2.825 -5.101 -2.828 1.00 . A A . 18 GLU CA 1 1
4 1795 1 1 18 GLU CB C -4.205 -4.660 -3.310 1.00 . A A . 18 GLU CB 1 1
4 1796 1 1 18 GLU CD C -6.464 -5.348 -4.188 1.00 . A A . 18 GLU CD 1 1
4 1797 1 1 18 GLU CG C -5.062 -5.797 -3.838 1.00 . A A . 18 GLU CG 1 1
4 1798 1 1 18 GLU H H -3.852 -6.445 -1.575 1.00 . A A . 18 GLU H 1 1
4 1799 1 1 18 GLU HA H -2.251 -5.462 -3.666 1.00 . A A . 18 GLU HA 1 1
4 1800 1 1 18 GLU HB2 H -4.729 -4.201 -2.485 1.00 . A A . 18 GLU HB2 1 1
4 1801 1 1 18 GLU HB3 H -4.085 -3.931 -4.098 1.00 . A A . 18 GLU HB3 1 1
4 1802 1 1 18 GLU HG2 H -4.597 -6.204 -4.724 1.00 . A A . 18 GLU HG2 1 1
4 1803 1 1 18 GLU HG3 H -5.124 -6.564 -3.083 1.00 . A A . 18 GLU HG3 1 1
4 1804 1 1 18 GLU N N -2.957 -6.182 -1.864 1.00 . A A . 18 GLU N 1 1
4 1805 1 1 18 GLU O O -1.260 -3.285 -2.830 1.00 . A A . 18 GLU O 1 1
4 1806 1 1 18 GLU OE1 O -7.080 -4.627 -3.376 1.00 . A A . 18 GLU OE1 1 1
4 1807 1 1 18 GLU OE2 O -6.957 -5.720 -5.276 1.00 . A A . 18 GLU OE2 1 1
4 1808 1 1 19 LEU C C -0.382 -2.717 -0.019 1.00 . A A . 19 LEU C 1 1
4 1809 1 1 19 LEU CA C -1.876 -2.486 -0.247 1.00 . A A . 19 LEU CA 1 1
4 1810 1 1 19 LEU CB C -2.627 -2.275 1.079 1.00 . A A . 19 LEU CB 1 1
4 1811 1 1 19 LEU CD1 C -0.990 -1.398 2.787 1.00 . A A . 19 LEU CD1 1 1
4 1812 1 1 19 LEU CD2 C -1.937 0.142 1.072 1.00 . A A . 19 LEU CD2 1 1
4 1813 1 1 19 LEU CG C -2.208 -1.073 1.940 1.00 . A A . 19 LEU CG 1 1
4 1814 1 1 19 LEU H H -3.153 -4.147 -0.509 1.00 . A A . 19 LEU H 1 1
4 1815 1 1 19 LEU HA H -1.999 -1.608 -0.863 1.00 . A A . 19 LEU HA 1 1
4 1816 1 1 19 LEU HB2 H -3.677 -2.168 0.851 1.00 . A A . 19 LEU HB2 1 1
4 1817 1 1 19 LEU HB3 H -2.504 -3.169 1.673 1.00 . A A . 19 LEU HB3 1 1
4 1818 1 1 19 LEU HD11 H -1.223 -2.214 3.453 1.00 . A A . 19 LEU HD11 1 1
4 1819 1 1 19 LEU HD12 H -0.710 -0.529 3.363 1.00 . A A . 19 LEU HD12 1 1
4 1820 1 1 19 LEU HD13 H -0.170 -1.682 2.142 1.00 . A A . 19 LEU HD13 1 1
4 1821 1 1 19 LEU HD21 H -2.820 0.376 0.500 1.00 . A A . 19 LEU HD21 1 1
4 1822 1 1 19 LEU HD22 H -1.116 -0.067 0.402 1.00 . A A . 19 LEU HD22 1 1
4 1823 1 1 19 LEU HD23 H -1.684 0.979 1.700 1.00 . A A . 19 LEU HD23 1 1
4 1824 1 1 19 LEU HG H -3.017 -0.827 2.610 1.00 . A A . 19 LEU HG 1 1
4 1825 1 1 19 LEU N N -2.464 -3.606 -0.959 1.00 . A A . 19 LEU N 1 1
4 1826 1 1 19 LEU O O 0.445 -1.905 -0.428 1.00 . A A . 19 LEU O 1 1
4 1827 1 1 20 GLN C C 2.182 -4.320 -0.314 1.00 . A A . 20 GLN C 1 1
4 1828 1 1 20 GLN CA C 1.345 -4.129 0.950 1.00 . A A . 20 GLN CA 1 1
4 1829 1 1 20 GLN CB C 1.436 -5.378 1.830 1.00 . A A . 20 GLN CB 1 1
4 1830 1 1 20 GLN CD C 3.221 -4.846 3.572 1.00 . A A . 20 GLN CD 1 1
4 1831 1 1 20 GLN CG C 2.840 -5.663 2.344 1.00 . A A . 20 GLN CG 1 1
4 1832 1 1 20 GLN H H -0.751 -4.449 0.906 1.00 . A A . 20 GLN H 1 1
4 1833 1 1 20 GLN HA H 1.742 -3.288 1.496 1.00 . A A . 20 GLN HA 1 1
4 1834 1 1 20 GLN HB2 H 0.783 -5.254 2.681 1.00 . A A . 20 GLN HB2 1 1
4 1835 1 1 20 GLN HB3 H 1.108 -6.232 1.257 1.00 . A A . 20 GLN HB3 1 1
4 1836 1 1 20 GLN HE21 H 1.969 -3.388 3.079 1.00 . A A . 20 GLN HE21 1 1
4 1837 1 1 20 GLN HE22 H 2.873 -3.140 4.529 1.00 . A A . 20 GLN HE22 1 1
4 1838 1 1 20 GLN HG2 H 2.907 -6.708 2.600 1.00 . A A . 20 GLN HG2 1 1
4 1839 1 1 20 GLN HG3 H 3.544 -5.444 1.554 1.00 . A A . 20 GLN HG3 1 1
4 1840 1 1 20 GLN N N -0.045 -3.826 0.626 1.00 . A A . 20 GLN N 1 1
4 1841 1 1 20 GLN NE2 N 2.626 -3.675 3.741 1.00 . A A . 20 GLN NE2 1 1
4 1842 1 1 20 GLN O O 3.238 -3.703 -0.474 1.00 . A A . 20 GLN O 1 1
4 1843 1 1 20 GLN OE1 O 4.037 -5.283 4.381 1.00 . A A . 20 GLN OE1 1 1
4 1844 1 1 21 . C C 2.046 -3.533 -4.067 1.00 . A A . 21 HMR C 1 1
4 1845 1 1 21 . CA C 2.450 -5.395 -2.431 1.00 . A A . 21 HMR CA 1 1
4 1846 1 1 21 . CB C 2.708 -6.896 -2.586 1.00 . A A . 21 HMR CB 1 1
4 1847 1 1 21 . CD C 3.746 -8.966 -1.591 1.00 . A A . 21 HMR CD 1 1
4 1848 1 1 21 . CG C 3.456 -7.488 -1.405 1.00 . A A . 21 HMR CG 1 1
4 1849 1 1 21 . CH2 C 1.664 -4.926 -3.652 1.00 . A A . 21 HMR CH2 1 1
4 1850 1 1 21 . CZ C 5.300 -10.532 -0.485 1.00 . A A . 21 HMR CZ 1 1
4 1851 1 1 21 . H H 0.869 -5.638 -1.063 1.00 . A A . 21 HMR H 1 1
4 1852 1 1 21 . HA H 3.387 -4.809 -2.337 1.00 . A A . 21 HMR HA 1 1
4 1853 1 1 21 . HB2 H 3.292 -7.064 -3.477 1.00 . A A . 21 HMR HB2 1 1
4 1854 1 1 21 . HB3 H 1.762 -7.405 -2.680 1.00 . A A . 21 HMR HB3 1 1
4 1855 1 1 21 . HC1 H 1.861 -5.595 -4.475 1.00 . A A . 21 HMR HC1 1 1
4 1856 1 1 21 . HC2 H 0.607 -4.937 -3.425 1.00 . A A . 21 HMR HC2 1 1
4 1857 1 1 21 . HD2 H 4.366 -9.093 -2.465 1.00 . A A . 21 HMR HD2 1 1
4 1858 1 1 21 . HD3 H 2.813 -9.490 -1.730 1.00 . A A . 21 HMR HD3 1 1
4 1859 1 1 21 . HE H 4.237 -9.119 0.445 1.00 . A A . 21 HMR HE 1 1
4 1860 1 1 21 . HG2 H 2.858 -7.357 -0.514 1.00 . A A . 21 HMR HG2 1 1
4 1861 1 1 21 . HG3 H 4.393 -6.964 -1.289 1.00 . A A . 21 HMR HG3 1 1
4 1862 1 1 21 . HH1 H 5.141 -10.800 -2.491 1.00 . A A . 21 HMR HH1 1 1
4 1863 1 1 21 . HH2 H 6.233 -11.878 -1.683 1.00 . A A . 21 HMR HH2 1 1
4 1864 1 1 21 . HH21 H 6.552 -11.711 0.586 1.00 . A A . 21 HMR HH21 1 1
4 1865 1 1 21 . HH22 H 5.704 -10.504 1.498 1.00 . A A . 21 HMR HH22 1 1
4 1866 1 1 21 . N N 1.721 -5.168 -1.217 1.00 . A A . 21 HMR N 1 1
4 1867 1 1 21 . NE N 4.438 -9.521 -0.431 1.00 . A A . 21 HMR NE 1 1
4 1868 1 1 21 . NH1 N 5.580 -11.116 -1.645 1.00 . A A . 21 HMR NH1 1 1
4 1869 1 1 21 . NH2 N 5.900 -10.947 0.621 1.00 . A A . 21 HMR NH2 1 1
4 1870 1 1 21 . O O 2.961 -3.326 -4.867 1.00 . A A . 21 HMR O 1 1
4 1871 1 1 22 HIS C C 2.813 -0.671 -2.957 1.00 . A A . 22 HIS C 1 1
4 1872 1 1 22 HIS CA C 1.598 -1.163 -3.742 1.00 . A A . 22 HIS CA 1 1
4 1873 1 1 22 HIS CB C 0.352 -0.341 -3.390 1.00 . A A . 22 HIS CB 1 1
4 1874 1 1 22 HIS CD2 C 0.996 1.878 -2.250 1.00 . A A . 22 HIS CD2 1 1
4 1875 1 1 22 HIS CE1 C 0.882 3.222 -3.955 1.00 . A A . 22 HIS CE1 1 1
4 1876 1 1 22 HIS CG C 0.607 1.131 -3.311 1.00 . A A . 22 HIS CG 1 1
4 1877 1 1 22 HIS H H 0.612 -2.816 -2.882 1.00 . A A . 22 HIS H 1 1
4 1878 1 1 22 HIS HA H 1.800 -1.050 -4.793 1.00 . A A . 22 HIS HA 1 1
4 1879 1 1 22 HIS HB2 H -0.403 -0.508 -4.142 1.00 . A A . 22 HIS HB2 1 1
4 1880 1 1 22 HIS HB3 H -0.024 -0.667 -2.432 1.00 . A A . 22 HIS HB3 1 1
4 1881 1 1 22 HIS HD1 H 0.272 1.767 -5.312 1.00 . A A . 22 HIS HD1 1 1
4 1882 1 1 22 HIS HD2 H 1.135 1.531 -1.238 1.00 . A A . 22 HIS HD2 1 1
4 1883 1 1 22 HIS HE1 H 0.922 4.113 -4.564 1.00 . A A . 22 HIS HE1 1 1
4 1884 1 1 22 HIS N N 1.343 -2.568 -3.492 1.00 . A A . 22 HIS N 1 1
4 1885 1 1 22 HIS ND1 N 0.528 2.003 -4.393 1.00 . A A . 22 HIS ND1 1 1
4 1886 1 1 22 HIS NE2 N 1.166 3.169 -2.680 1.00 . A A . 22 HIS NE2 1 1
4 1887 1 1 22 HIS O O 3.740 -0.114 -3.549 1.00 . A A . 22 HIS O 1 1
4 1888 1 1 23 LYS C C 5.232 -0.766 -1.356 1.00 . A A . 23 LYS C 1 1
4 1889 1 1 23 LYS CA C 3.888 -0.408 -0.758 1.00 . A A . 23 LYS CA 1 1
4 1890 1 1 23 LYS CB C 3.773 -1.009 0.644 1.00 . A A . 23 LYS CB 1 1
4 1891 1 1 23 LYS CD C 2.841 0.986 1.839 1.00 . A A . 23 LYS CD 1 1
4 1892 1 1 23 LYS CE C 1.788 1.470 2.819 1.00 . A A . 23 LYS CE 1 1
4 1893 1 1 23 LYS CG C 2.615 -0.466 1.462 1.00 . A A . 23 LYS CG 1 1
4 1894 1 1 23 LYS H H 2.039 -1.349 -1.229 1.00 . A A . 23 LYS H 1 1
4 1895 1 1 23 LYS HA H 3.819 0.665 -0.688 1.00 . A A . 23 LYS HA 1 1
4 1896 1 1 23 LYS HB2 H 3.650 -2.079 0.556 1.00 . A A . 23 LYS HB2 1 1
4 1897 1 1 23 LYS HB3 H 4.689 -0.807 1.180 1.00 . A A . 23 LYS HB3 1 1
4 1898 1 1 23 LYS HD2 H 3.817 1.086 2.291 1.00 . A A . 23 LYS HD2 1 1
4 1899 1 1 23 LYS HD3 H 2.793 1.592 0.946 1.00 . A A . 23 LYS HD3 1 1
4 1900 1 1 23 LYS HE2 H 0.834 1.505 2.314 1.00 . A A . 23 LYS HE2 1 1
4 1901 1 1 23 LYS HE3 H 1.733 0.774 3.641 1.00 . A A . 23 LYS HE3 1 1
4 1902 1 1 23 LYS HG2 H 1.708 -0.540 0.879 1.00 . A A . 23 LYS HG2 1 1
4 1903 1 1 23 LYS HG3 H 2.514 -1.053 2.363 1.00 . A A . 23 LYS HG3 1 1
4 1904 1 1 23 LYS HZ1 H 3.012 2.805 3.858 1.00 . A A . 23 LYS HZ1 1 1
4 1905 1 1 23 LYS HZ2 H 1.359 3.132 4.010 1.00 . A A . 23 LYS HZ2 1 1
4 1906 1 1 23 LYS HZ3 H 2.165 3.509 2.571 1.00 . A A . 23 LYS HZ3 1 1
4 1907 1 1 23 LYS N N 2.799 -0.873 -1.630 1.00 . A A . 23 LYS N 1 1
4 1908 1 1 23 LYS NZ N 2.104 2.822 3.348 1.00 . A A . 23 LYS NZ 1 1
4 1909 1 1 23 LYS O O 6.132 0.072 -1.449 1.00 . A A . 23 LYS O 1 1
4 1910 1 1 24 . C C 7.166 -1.095 -4.473 1.00 . A A . 24 HMR C 1 1
4 1911 1 1 24 . CA C 6.573 -2.453 -2.396 1.00 . A A . 24 HMR CA 1 1
4 1912 1 1 24 . CB C 6.787 -3.935 -2.067 1.00 . A A . 24 HMR CB 1 1
4 1913 1 1 24 . CD C 8.226 -5.968 -2.183 1.00 . A A . 24 HMR CD 1 1
4 1914 1 1 24 . CG C 8.048 -4.539 -2.655 1.00 . A A . 24 HMR CG 1 1
4 1915 1 1 24 . CH2 C 6.453 -2.308 -3.917 1.00 . A A . 24 HMR CH2 1 1
4 1916 1 1 24 . CZ C 9.719 -7.886 -2.571 1.00 . A A . 24 HMR CZ 1 1
4 1917 1 1 24 . H H 4.623 -2.648 -1.631 1.00 . A A . 24 HMR H 1 1
4 1918 1 1 24 . HA H 7.384 -1.808 -2.012 1.00 . A A . 24 HMR HA 1 1
4 1919 1 1 24 . HB2 H 5.942 -4.495 -2.438 1.00 . A A . 24 HMR HB2 1 1
4 1920 1 1 24 . HB3 H 6.833 -4.046 -0.994 1.00 . A A . 24 HMR HB3 1 1
4 1921 1 1 24 . HC1 H 6.868 -3.185 -4.383 1.00 . A A . 24 HMR HC1 1 1
4 1922 1 1 24 . HC2 H 5.408 -2.232 -4.179 1.00 . A A . 24 HMR HC2 1 1
4 1923 1 1 24 . HD2 H 7.331 -6.523 -2.418 1.00 . A A . 24 HMR HD2 1 1
4 1924 1 1 24 . HD3 H 8.372 -5.962 -1.112 1.00 . A A . 24 HMR HD3 1 1
4 1925 1 1 24 . HE H 9.906 -6.089 -3.440 1.00 . A A . 24 HMR HE 1 1
4 1926 1 1 24 . HG2 H 8.900 -3.955 -2.342 1.00 . A A . 24 HMR HG2 1 1
4 1927 1 1 24 . HG3 H 7.975 -4.532 -3.731 1.00 . A A . 24 HMR HG3 1 1
4 1928 1 1 24 . HH1 H 11.305 -7.860 -3.831 1.00 . A A . 24 HMR HH1 1 1
4 1929 1 1 24 . HH2 H 11.032 -9.362 -3.008 1.00 . A A . 24 HMR HH2 1 1
4 1930 1 1 24 . HH21 H 8.219 -8.237 -1.250 1.00 . A A . 24 HMR HH21 1 1
4 1931 1 1 24 . HH22 H 9.278 -9.580 -1.540 1.00 . A A . 24 HMR HH22 1 1
4 1932 1 1 24 . N N 5.365 -2.012 -1.768 1.00 . A A . 24 HMR N 1 1
4 1933 1 1 24 . NE N 9.370 -6.623 -2.809 1.00 . A A . 24 HMR NE 1 1
4 1934 1 1 24 . NH1 N 10.768 -8.411 -3.186 1.00 . A A . 24 HMR NH1 1 1
4 1935 1 1 24 . NH2 N 9.016 -8.626 -1.719 1.00 . A A . 24 HMR NH2 1 1
4 1936 1 1 24 . O O 8.375 -1.120 -4.720 1.00 . A A . 24 HMR O 1 1
4 1937 1 1 25 THR C C 7.719 2.045 -4.274 1.00 . A A . 25 THR C 1 1
4 1938 1 1 25 THR CA C 6.931 1.195 -5.273 1.00 . A A . 25 THR CA 1 1
4 1939 1 1 25 THR CB C 5.802 2.039 -5.924 1.00 . A A . 25 THR CB 1 1
4 1940 1 1 25 THR CG2 C 4.791 2.526 -4.894 1.00 . A A . 25 THR CG2 1 1
4 1941 1 1 25 THR H H 5.472 -0.034 -4.354 1.00 . A A . 25 THR H 1 1
4 1942 1 1 25 THR HA H 7.604 0.887 -6.058 1.00 . A A . 25 THR HA 1 1
4 1943 1 1 25 THR HB H 5.286 1.417 -6.639 1.00 . A A . 25 THR HB 1 1
4 1944 1 1 25 THR HG1 H 6.971 2.865 -7.287 1.00 . A A . 25 THR HG1 1 1
4 1945 1 1 25 THR HG21 H 4.040 3.128 -5.385 1.00 . A A . 25 THR HG21 1 1
4 1946 1 1 25 THR HG22 H 5.295 3.119 -4.147 1.00 . A A . 25 THR HG22 1 1
4 1947 1 1 25 THR HG23 H 4.318 1.677 -4.422 1.00 . A A . 25 THR HG23 1 1
4 1948 1 1 25 THR N N 6.409 -0.013 -4.652 1.00 . A A . 25 THR N 1 1
4 1949 1 1 25 THR O O 8.715 2.676 -4.634 1.00 . A A . 25 THR O 1 1
4 1950 1 1 25 THR OG1 O 6.354 3.170 -6.609 1.00 . A A . 25 THR OG1 1 1
4 1951 1 1 26 HIS C C 9.194 2.055 -1.504 1.00 . A A . 26 HIS C 1 1
4 1952 1 1 26 HIS CA C 7.980 2.821 -1.993 1.00 . A A . 26 HIS CA 1 1
4 1953 1 1 26 HIS CB C 7.059 3.133 -0.807 1.00 . A A . 26 HIS CB 1 1
4 1954 1 1 26 HIS CD2 C 4.530 3.572 -1.091 1.00 . A A . 26 HIS CD2 1 1
4 1955 1 1 26 HIS CE1 C 4.577 5.638 -1.774 1.00 . A A . 26 HIS CE1 1 1
4 1956 1 1 26 HIS CG C 5.837 3.927 -1.155 1.00 . A A . 26 HIS CG 1 1
4 1957 1 1 26 HIS H H 6.523 1.487 -2.764 1.00 . A A . 26 HIS H 1 1
4 1958 1 1 26 HIS HA H 8.307 3.746 -2.440 1.00 . A A . 26 HIS HA 1 1
4 1959 1 1 26 HIS HB2 H 6.728 2.203 -0.369 1.00 . A A . 26 HIS HB2 1 1
4 1960 1 1 26 HIS HB3 H 7.617 3.690 -0.068 1.00 . A A . 26 HIS HB3 1 1
4 1961 1 1 26 HIS HD1 H 6.654 5.798 -1.748 1.00 . A A . 26 HIS HD1 1 1
4 1962 1 1 26 HIS HD2 H 4.143 2.615 -0.784 1.00 . A A . 26 HIS HD2 1 1
4 1963 1 1 26 HIS HE1 H 4.268 6.617 -2.100 1.00 . A A . 26 HIS HE1 1 1
4 1964 1 1 26 HIS N N 7.297 2.044 -3.015 1.00 . A A . 26 HIS N 1 1
4 1965 1 1 26 HIS ND1 N 5.855 5.247 -1.596 1.00 . A A . 26 HIS ND1 1 1
4 1966 1 1 26 HIS NE2 N 3.770 4.653 -1.478 1.00 . A A . 26 HIS NE2 1 1
4 1967 1 1 26 HIS O O 10.301 2.592 -1.439 1.00 . A A . 26 HIS O 1 1
4 1968 1 1 27 . C C 11.853 -1.497 -1.768 1.00 . A A . 27 B3T C 1 1
4 1969 1 1 27 . CA C 10.383 -1.125 -1.750 1.00 . A A . 27 B3T CA 1 1
4 1970 1 1 27 . CB C 10.050 -0.071 -0.692 1.00 . A A . 27 B3T CB 1 1
4 1971 1 1 27 . CD2 C 9.411 0.292 1.715 1.00 . A A . 27 B3T CD2 1 1
4 1972 1 1 27 . CG C 9.674 -0.744 0.633 1.00 . A A . 27 B3T CG 1 1
4 1973 1 1 27 . H1D2 H 10.302 0.882 1.870 1.00 . A A . 27 B3T H1D2 1 1
4 1974 1 1 27 . H2D2 H 9.145 -0.206 2.635 1.00 . A A . 27 B3T H2D2 1 1
4 1975 1 1 27 . H3D2 H 8.602 0.936 1.406 1.00 . A A . 27 B3T H3D2 1 1
4 1976 1 1 27 . HA H 10.118 -0.741 -2.722 1.00 . A A . 27 B3T HA 1 1
4 1977 1 1 27 . HAA H 9.807 -2.015 -1.550 1.00 . A A . 27 B3T HAA 1 1
4 1978 1 1 27 . HB H 10.917 0.535 -0.507 1.00 . A A . 27 B3T HB 1 1
4 1979 1 1 27 . HG H 10.496 -1.369 0.943 1.00 . A A . 27 B3T HG 1 1
4 1980 1 1 27 . HN H 8.068 0.421 -1.252 1.00 . A A . 27 B3T HN 1 1
4 1981 1 1 27 . HOD1 H 8.775 -2.489 0.408 1.00 . A A . 27 B3T HOD1 1 1
4 1982 1 1 27 . N N 8.980 0.790 -1.175 1.00 . A A . 27 B3T N 1 1
4 1983 1 1 27 . O O 12.662 -0.915 -1.043 1.00 . A A . 27 B3T O 1 1
4 1984 1 1 27 . OD1 O 8.510 -1.557 0.446 1.00 . A A . 27 B3T OD1 1 1
4 1985 1 1 28 GLY C C 13.938 -3.892 -1.576 1.00 . A A . 28 GLY C 1 1
4 1986 1 1 28 GLY CA C 13.578 -2.916 -2.676 1.00 . A A . 28 GLY CA 1 1
4 1987 1 1 28 GLY H H 11.515 -2.909 -3.147 1.00 . A A . 28 GLY H 1 1
4 1988 1 1 28 GLY HA2 H 13.733 -3.394 -3.632 1.00 . A A . 28 GLY HA2 1 1
4 1989 1 1 28 GLY HA3 H 14.225 -2.055 -2.608 1.00 . A A . 28 GLY HA3 1 1
4 1990 1 1 28 GLY N N 12.200 -2.478 -2.591 1.00 . A A . 28 GLY N 1 1
4 1991 1 1 28 GLY O O 13.857 -5.103 -1.766 1.00 . A A . 28 GLY O 1 1
4 1992 1 1 29 GLU C C 13.526 -4.822 1.401 1.00 . A A . 29 GLU C 1 1
4 1993 1 1 29 GLU CA C 14.735 -4.217 0.691 1.00 . A A . 29 GLU CA 1 1
4 1994 1 1 29 GLU CB C 15.587 -3.419 1.682 1.00 . A A . 29 GLU CB 1 1
4 1995 1 1 29 GLU CD C 17.190 -5.323 2.082 1.00 . A A . 29 GLU CD 1 1
4 1996 1 1 29 GLU CG C 16.285 -4.286 2.716 1.00 . A A . 29 GLU CG 1 1
4 1997 1 1 29 GLU H H 14.291 -2.396 -0.301 1.00 . A A . 29 GLU H 1 1
4 1998 1 1 29 GLU HA H 15.331 -5.018 0.281 1.00 . A A . 29 GLU HA 1 1
4 1999 1 1 29 GLU HB2 H 16.340 -2.871 1.137 1.00 . A A . 29 GLU HB2 1 1
4 2000 1 1 29 GLU HB3 H 14.950 -2.720 2.202 1.00 . A A . 29 GLU HB3 1 1
4 2001 1 1 29 GLU HG2 H 16.880 -3.652 3.355 1.00 . A A . 29 GLU HG2 1 1
4 2002 1 1 29 GLU HG3 H 15.537 -4.794 3.305 1.00 . A A . 29 GLU HG3 1 1
4 2003 1 1 29 GLU N N 14.309 -3.370 -0.415 1.00 . A A . 29 GLU N 1 1
4 2004 1 1 29 GLU O O 13.527 -5.999 1.757 1.00 . A A . 29 GLU O 1 1
4 2005 1 1 29 GLU OE1 O 16.759 -6.485 1.938 1.00 . A A . 29 GLU OE1 1 1
4 2006 1 1 29 GLU OE2 O 18.340 -4.981 1.729 1.00 . A A . 29 GLU OE2 1 1
4 2007 1 1 30 LYS C C 10.268 -4.921 1.186 1.00 . A A . 30 LYS C 1 1
4 2008 1 1 30 LYS CA C 11.275 -4.484 2.241 1.00 . A A . 30 LYS CA 1 1
4 2009 1 1 30 LYS CB C 10.666 -3.394 3.125 1.00 . A A . 30 LYS CB 1 1
4 2010 1 1 30 LYS CD C 10.968 -1.769 5.003 1.00 . A A . 30 LYS CD 1 1
4 2011 1 1 30 LYS CE C 11.845 -1.321 6.158 1.00 . A A . 30 LYS CE 1 1
4 2012 1 1 30 LYS CG C 11.555 -2.969 4.282 1.00 . A A . 30 LYS CG 1 1
4 2013 1 1 30 LYS H H 12.560 -3.075 1.323 1.00 . A A . 30 LYS H 1 1
4 2014 1 1 30 LYS HA H 11.527 -5.337 2.854 1.00 . A A . 30 LYS HA 1 1
4 2015 1 1 30 LYS HB2 H 10.465 -2.527 2.520 1.00 . A A . 30 LYS HB2 1 1
4 2016 1 1 30 LYS HB3 H 9.735 -3.759 3.532 1.00 . A A . 30 LYS HB3 1 1
4 2017 1 1 30 LYS HD2 H 10.869 -0.953 4.303 1.00 . A A . 30 LYS HD2 1 1
4 2018 1 1 30 LYS HD3 H 9.994 -2.036 5.388 1.00 . A A . 30 LYS HD3 1 1
4 2019 1 1 30 LYS HE2 H 11.844 -2.091 6.914 1.00 . A A . 30 LYS HE2 1 1
4 2020 1 1 30 LYS HE3 H 12.851 -1.174 5.795 1.00 . A A . 30 LYS HE3 1 1
4 2021 1 1 30 LYS HG2 H 11.643 -3.789 4.978 1.00 . A A . 30 LYS HG2 1 1
4 2022 1 1 30 LYS HG3 H 12.530 -2.709 3.898 1.00 . A A . 30 LYS HG3 1 1
4 2023 1 1 30 LYS HZ1 H 11.461 0.728 6.079 1.00 . A A . 30 LYS HZ1 1 1
4 2024 1 1 30 LYS HZ2 H 11.900 0.172 7.616 1.00 . A A . 30 LYS HZ2 1 1
4 2025 1 1 30 LYS HZ3 H 10.352 -0.140 7.015 1.00 . A A . 30 LYS HZ3 1 1
4 2026 1 1 30 LYS N N 12.497 -4.012 1.607 1.00 . A A . 30 LYS N 1 1
4 2027 1 1 30 LYS NZ N 11.356 -0.052 6.759 1.00 . A A . 30 LYS NZ 1 1
4 2028 1 1 30 LYS O O 9.496 -4.113 0.667 1.00 . A A . 30 LYS O 1 1
4 2029 1 1 31 NH2 HN1 H 10.932 -6.783 1.315 1.00 . A A . 31 NH2 HN1 1 1
4 2030 1 1 31 NH2 HN2 H 9.660 -6.514 0.178 1.00 . A A . 31 NH2 HN2 1 1
4 2031 1 1 31 NH2 N N 10.288 -6.200 0.860 1.00 . A A . 31 NH2 N 1 1
4 2032 2 2 1 ZN ZN ZN 1.777 4.686 -1.548 1.00 . B A . 101 ZN ZN 1 1
5 2033 1 1 1 PRO C C -9.220 0.217 3.887 1.00 . A A . 1 PRO C 1 1
5 2034 1 1 1 PRO CA C -10.593 -0.135 3.331 1.00 . A A . 1 PRO CA 1 1
5 2035 1 1 1 PRO CB C -10.972 0.829 2.217 1.00 . A A . 1 PRO CB 1 1
5 2036 1 1 1 PRO CD C -12.394 1.157 4.130 1.00 . A A . 1 PRO CD 1 1
5 2037 1 1 1 PRO CG C -12.304 1.349 2.632 1.00 . A A . 1 PRO CG 1 1
5 2038 1 1 1 PRO H2 H -11.081 -0.097 5.285 1.00 . A A . 1 PRO H2 1 1
5 2039 1 1 1 PRO H3 H -12.094 -0.994 4.371 1.00 . A A . 1 PRO H3 1 1
5 2040 1 1 1 PRO HA H -10.568 -1.143 2.942 1.00 . A A . 1 PRO HA 1 1
5 2041 1 1 1 PRO HB2 H -10.239 1.620 2.153 1.00 . A A . 1 PRO HB2 1 1
5 2042 1 1 1 PRO HB3 H -11.028 0.300 1.275 1.00 . A A . 1 PRO HB3 1 1
5 2043 1 1 1 PRO HD2 H -11.962 2.005 4.642 1.00 . A A . 1 PRO HD2 1 1
5 2044 1 1 1 PRO HD3 H -13.423 1.024 4.429 1.00 . A A . 1 PRO HD3 1 1
5 2045 1 1 1 PRO HG2 H -12.378 2.396 2.384 1.00 . A A . 1 PRO HG2 1 1
5 2046 1 1 1 PRO HG3 H -13.086 0.792 2.138 1.00 . A A . 1 PRO HG3 1 1
5 2047 1 1 1 PRO N N -11.613 -0.064 4.398 1.00 . A A . 1 PRO N 1 1
5 2048 1 1 1 PRO O O -9.112 0.797 4.968 1.00 . A A . 1 PRO O 1 1
5 2049 1 1 2 PHE C C -6.210 1.264 2.778 1.00 . A A . 2 PHE C 1 1
5 2050 1 1 2 PHE CA C -6.813 0.117 3.579 1.00 . A A . 2 PHE CA 1 1
5 2051 1 1 2 PHE CB C -5.967 -1.147 3.391 1.00 . A A . 2 PHE CB 1 1
5 2052 1 1 2 PHE CD1 C -7.299 -3.272 3.282 1.00 . A A . 2 PHE CD1 1 1
5 2053 1 1 2 PHE CD2 C -6.372 -2.620 5.378 1.00 . A A . 2 PHE CD2 1 1
5 2054 1 1 2 PHE CE1 C -7.843 -4.397 3.870 1.00 . A A . 2 PHE CE1 1 1
5 2055 1 1 2 PHE CE2 C -6.914 -3.745 5.970 1.00 . A A . 2 PHE CE2 1 1
5 2056 1 1 2 PHE CG C -6.557 -2.371 4.030 1.00 . A A . 2 PHE CG 1 1
5 2057 1 1 2 PHE CZ C -7.651 -4.635 5.215 1.00 . A A . 2 PHE CZ 1 1
5 2058 1 1 2 PHE H H -8.333 -0.533 2.265 1.00 . A A . 2 PHE H 1 1
5 2059 1 1 2 PHE HA H -6.834 0.381 4.625 1.00 . A A . 2 PHE HA 1 1
5 2060 1 1 2 PHE HB2 H -5.860 -1.343 2.335 1.00 . A A . 2 PHE HB2 1 1
5 2061 1 1 2 PHE HB3 H -4.991 -0.983 3.823 1.00 . A A . 2 PHE HB3 1 1
5 2062 1 1 2 PHE HD1 H -7.450 -3.092 2.229 1.00 . A A . 2 PHE HD1 1 1
5 2063 1 1 2 PHE HD2 H -5.797 -1.924 5.971 1.00 . A A . 2 PHE HD2 1 1
5 2064 1 1 2 PHE HE1 H -8.420 -5.091 3.275 1.00 . A A . 2 PHE HE1 1 1
5 2065 1 1 2 PHE HE2 H -6.761 -3.928 7.024 1.00 . A A . 2 PHE HE2 1 1
5 2066 1 1 2 PHE HZ H -8.076 -5.514 5.675 1.00 . A A . 2 PHE HZ 1 1
5 2067 1 1 2 PHE N N -8.180 -0.123 3.144 1.00 . A A . 2 PHE N 1 1
5 2068 1 1 2 PHE O O -6.374 1.321 1.564 1.00 . A A . 2 PHE O 1 1
5 2069 1 1 3 . C C -3.398 3.356 2.752 1.00 . A A . 3 9KK C 1 1
5 2070 1 1 3 . CA C -4.925 3.337 2.703 1.00 . A A . 3 9KK CA 1 1
5 2071 1 1 3 . CB C -5.512 4.569 3.399 1.00 . A A . 3 9KK CB 1 1
5 2072 1 1 3 . CD C -5.720 7.074 3.471 1.00 . A A . 3 9KK CD 1 1
5 2073 1 1 3 . CE C -5.171 8.367 2.912 1.00 . A A . 3 9KK CE 1 1
5 2074 1 1 3 . CG C -5.058 5.886 2.793 1.00 . A A . 3 9KK CG 1 1
5 2075 1 1 3 . CM C -5.335 2.089 4.894 1.00 . A A . 3 9KK CM 1 1
5 2076 1 1 3 . HA H -5.237 3.333 1.668 1.00 . A A . 3 9KK HA 1 1
5 2077 1 1 3 . HB2 H -5.217 4.556 4.436 1.00 . A A . 3 9KK HB2 1 1
5 2078 1 1 3 . HB3 H -6.589 4.520 3.339 1.00 . A A . 3 9KK HB3 1 1
5 2079 1 1 3 . HD2 H -5.521 7.040 4.532 1.00 . A A . 3 9KK HD2 1 1
5 2080 1 1 3 . HD3 H -6.784 7.042 3.292 1.00 . A A . 3 9KK HD3 1 1
5 2081 1 1 3 . HE1 H -5.657 9.202 3.394 1.00 . A A . 3 9KK HE1 1 1
5 2082 1 1 3 . HE2 H -5.356 8.408 1.849 1.00 . A A . 3 9KK HE2 1 1
5 2083 1 1 3 . HE3 H -4.107 8.416 3.093 1.00 . A A . 3 9KK HE3 1 1
5 2084 1 1 3 . HG2 H -5.312 5.895 1.743 1.00 . A A . 3 9KK HG2 1 1
5 2085 1 1 3 . HG3 H -3.989 5.972 2.906 1.00 . A A . 3 9KK HG3 1 1
5 2086 1 1 3 . HM1 H -6.259 2.338 5.390 1.00 . A A . 3 9KK HM1 1 1
5 2087 1 1 3 . HM2 H -4.559 2.768 5.214 1.00 . A A . 3 9KK HM2 1 1
5 2088 1 1 3 . HM3 H -5.053 1.077 5.144 1.00 . A A . 3 9KK HM3 1 1
5 2089 1 1 3 . N N -5.513 2.201 3.430 1.00 . A A . 3 9KK N 1 1
5 2090 1 1 3 . O O -2.782 2.964 3.744 1.00 . A A . 3 9KK O 1 1
5 2091 1 1 4 CYS C C -0.795 4.885 2.638 1.00 . A A . 4 CYS C 1 1
5 2092 1 1 4 CYS CA C -1.348 3.928 1.575 1.00 . A A . 4 CYS CA 1 1
5 2093 1 1 4 CYS CB C -0.932 4.388 0.176 1.00 . A A . 4 CYS CB 1 1
5 2094 1 1 4 CYS H H -3.342 4.067 0.885 1.00 . A A . 4 CYS H 1 1
5 2095 1 1 4 CYS HA H -0.932 2.947 1.752 1.00 . A A . 4 CYS HA 1 1
5 2096 1 1 4 CYS HB2 H -0.980 3.547 -0.503 1.00 . A A . 4 CYS HB2 1 1
5 2097 1 1 4 CYS HB3 H -1.610 5.158 -0.162 1.00 . A A . 4 CYS HB3 1 1
5 2098 1 1 4 CYS N N -2.795 3.812 1.662 1.00 . A A . 4 CYS N 1 1
5 2099 1 1 4 CYS O O 0.284 4.662 3.182 1.00 . A A . 4 CYS O 1 1
5 2100 1 1 4 CYS SG S 0.739 5.055 0.114 1.00 . A A . 4 CYS SG 1 1
5 2101 1 1 5 THR C C 0.097 7.629 3.756 1.00 . A A . 5 THR C 1 1
5 2102 1 1 5 THR CA C -1.253 6.940 3.960 1.00 . A A . 5 THR CA 1 1
5 2103 1 1 5 THR CB C -1.325 6.351 5.399 1.00 . A A . 5 THR CB 1 1
5 2104 1 1 5 THR CG2 C -2.738 5.894 5.722 1.00 . A A . 5 THR CG2 1 1
5 2105 1 1 5 THR H H -2.372 6.077 2.389 1.00 . A A . 5 THR H 1 1
5 2106 1 1 5 THR HA H -2.017 7.702 3.889 1.00 . A A . 5 THR HA 1 1
5 2107 1 1 5 THR HB H -1.051 7.128 6.100 1.00 . A A . 5 THR HB 1 1
5 2108 1 1 5 THR HG1 H -0.127 4.947 4.689 1.00 . A A . 5 THR HG1 1 1
5 2109 1 1 5 THR HG21 H -3.414 6.733 5.643 1.00 . A A . 5 THR HG21 1 1
5 2110 1 1 5 THR HG22 H -2.769 5.500 6.726 1.00 . A A . 5 THR HG22 1 1
5 2111 1 1 5 THR HG23 H -3.034 5.126 5.024 1.00 . A A . 5 THR HG23 1 1
5 2112 1 1 5 THR N N -1.559 5.947 2.915 1.00 . A A . 5 THR N 1 1
5 2113 1 1 5 THR O O 0.645 8.222 4.687 1.00 . A A . 5 THR O 1 1
5 2114 1 1 5 THR OG1 O -0.420 5.248 5.561 1.00 . A A . 5 THR OG1 1 1
5 2115 1 1 6 TRP C C 1.598 9.655 1.753 1.00 . A A . 6 TRP C 1 1
5 2116 1 1 6 TRP CA C 1.874 8.233 2.223 1.00 . A A . 6 TRP CA 1 1
5 2117 1 1 6 TRP CB C 2.624 7.457 1.142 1.00 . A A . 6 TRP CB 1 1
5 2118 1 1 6 TRP CD1 C 4.661 8.893 0.553 1.00 . A A . 6 TRP CD1 1 1
5 2119 1 1 6 TRP CD2 C 5.158 6.938 1.522 1.00 . A A . 6 TRP CD2 1 1
5 2120 1 1 6 TRP CE2 C 6.358 7.623 1.255 1.00 . A A . 6 TRP CE2 1 1
5 2121 1 1 6 TRP CE3 C 5.221 5.681 2.127 1.00 . A A . 6 TRP CE3 1 1
5 2122 1 1 6 TRP CG C 4.085 7.771 1.071 1.00 . A A . 6 TRP CG 1 1
5 2123 1 1 6 TRP CH2 C 7.635 5.859 2.166 1.00 . A A . 6 TRP CH2 1 1
5 2124 1 1 6 TRP CZ2 C 7.604 7.092 1.575 1.00 . A A . 6 TRP CZ2 1 1
5 2125 1 1 6 TRP CZ3 C 6.457 5.155 2.443 1.00 . A A . 6 TRP CZ3 1 1
5 2126 1 1 6 TRP H H 0.157 7.069 1.838 1.00 . A A . 6 TRP H 1 1
5 2127 1 1 6 TRP HA H 2.474 8.266 3.120 1.00 . A A . 6 TRP HA 1 1
5 2128 1 1 6 TRP HB2 H 2.522 6.403 1.335 1.00 . A A . 6 TRP HB2 1 1
5 2129 1 1 6 TRP HB3 H 2.187 7.685 0.184 1.00 . A A . 6 TRP HB3 1 1
5 2130 1 1 6 TRP HD1 H 4.107 9.718 0.128 1.00 . A A . 6 TRP HD1 1 1
5 2131 1 1 6 TRP HE1 H 6.665 9.508 0.372 1.00 . A A . 6 TRP HE1 1 1
5 2132 1 1 6 TRP HE3 H 4.325 5.123 2.346 1.00 . A A . 6 TRP HE3 1 1
5 2133 1 1 6 TRP HH2 H 8.578 5.407 2.431 1.00 . A A . 6 TRP HH2 1 1
5 2134 1 1 6 TRP HZ2 H 8.523 7.623 1.368 1.00 . A A . 6 TRP HZ2 1 1
5 2135 1 1 6 TRP HZ3 H 6.526 4.185 2.910 1.00 . A A . 6 TRP HZ3 1 1
5 2136 1 1 6 TRP N N 0.620 7.572 2.538 1.00 . A A . 6 TRP N 1 1
5 2137 1 1 6 TRP NE1 N 6.027 8.818 0.669 1.00 . A A . 6 TRP NE1 1 1
5 2138 1 1 6 TRP O O 0.774 9.870 0.859 1.00 . A A . 6 TRP O 1 1
5 2139 1 1 7 ABA C C 2.289 12.289 0.570 1.00 . A A . 7 AIB C 1 1
5 2140 1 1 7 ABA CA C 2.107 12.035 2.076 1.00 . A A . 7 AIB CA 1 1
5 2141 1 1 7 ABA H H 2.922 10.348 3.067 1.00 . A A . 7 AIB H 1 1
5 2142 1 1 7 ABA N N 2.278 10.609 2.375 1.00 . A A . 7 AIB N 1 1
5 2143 1 1 7 ABA O O 3.383 12.119 0.034 1.00 . A A . 7 AIB O 1 1
5 2144 1 1 8 GLY C C 0.838 11.919 -2.429 1.00 . A A . 8 GLY C 1 1
5 2145 1 1 8 GLY CA C 1.296 13.028 -1.507 1.00 . A A . 8 GLY CA 1 1
5 2146 1 1 8 GLY H H 0.347 12.721 0.354 1.00 . A A . 8 GLY H 1 1
5 2147 1 1 8 GLY HA2 H 0.683 13.900 -1.684 1.00 . A A . 8 GLY HA2 1 1
5 2148 1 1 8 GLY HA3 H 2.325 13.271 -1.739 1.00 . A A . 8 GLY HA3 1 1
5 2149 1 1 8 GLY N N 1.210 12.676 -0.104 1.00 . A A . 8 GLY N 1 1
5 2150 1 1 8 GLY O O 0.606 12.149 -3.614 1.00 . A A . 8 GLY O 1 1
5 2151 1 1 9 CYS C C -1.202 9.480 -2.827 1.00 . A A . 9 CYS C 1 1
5 2152 1 1 9 CYS CA C 0.319 9.570 -2.699 1.00 . A A . 9 CYS CA 1 1
5 2153 1 1 9 CYS CB C 0.886 8.296 -2.080 1.00 . A A . 9 CYS CB 1 1
5 2154 1 1 9 CYS H H 0.860 10.598 -0.930 1.00 . A A . 9 CYS H 1 1
5 2155 1 1 9 CYS HA H 0.742 9.703 -3.682 1.00 . A A . 9 CYS HA 1 1
5 2156 1 1 9 CYS HB2 H 1.920 8.466 -1.816 1.00 . A A . 9 CYS HB2 1 1
5 2157 1 1 9 CYS HB3 H 0.327 8.060 -1.186 1.00 . A A . 9 CYS HB3 1 1
5 2158 1 1 9 CYS N N 0.699 10.718 -1.892 1.00 . A A . 9 CYS N 1 1
5 2159 1 1 9 CYS O O -1.738 9.530 -3.935 1.00 . A A . 9 CYS O 1 1
5 2160 1 1 9 CYS SG S 0.826 6.855 -3.165 1.00 . A A . 9 CYS SG 1 1
5 2161 1 1 10 GLY C C -3.936 8.207 -2.509 1.00 . A A . 10 GLY C 1 1
5 2162 1 1 10 GLY CA C -3.343 9.339 -1.696 1.00 . A A . 10 GLY CA 1 1
5 2163 1 1 10 GLY H H -1.402 9.232 -0.853 1.00 . A A . 10 GLY H 1 1
5 2164 1 1 10 GLY HA2 H -3.692 9.256 -0.678 1.00 . A A . 10 GLY HA2 1 1
5 2165 1 1 10 GLY HA3 H -3.689 10.276 -2.104 1.00 . A A . 10 GLY HA3 1 1
5 2166 1 1 10 GLY N N -1.888 9.341 -1.696 1.00 . A A . 10 GLY N 1 1
5 2167 1 1 10 GLY O O -4.585 8.438 -3.529 1.00 . A A . 10 GLY O 1 1
5 2168 1 1 11 LYS C C -4.817 4.814 -1.766 1.00 . A A . 11 LYS C 1 1
5 2169 1 1 11 LYS CA C -4.221 5.808 -2.760 1.00 . A A . 11 LYS CA 1 1
5 2170 1 1 11 LYS CB C -3.101 5.133 -3.565 1.00 . A A . 11 LYS CB 1 1
5 2171 1 1 11 LYS CD C -3.501 6.175 -5.825 1.00 . A A . 11 LYS CD 1 1
5 2172 1 1 11 LYS CE C -3.047 7.253 -6.802 1.00 . A A . 11 LYS CE 1 1
5 2173 1 1 11 LYS CG C -2.524 6.009 -4.668 1.00 . A A . 11 LYS CG 1 1
5 2174 1 1 11 LYS H H -3.183 6.857 -1.252 1.00 . A A . 11 LYS H 1 1
5 2175 1 1 11 LYS HA H -4.994 6.137 -3.435 1.00 . A A . 11 LYS HA 1 1
5 2176 1 1 11 LYS HB2 H -2.300 4.868 -2.889 1.00 . A A . 11 LYS HB2 1 1
5 2177 1 1 11 LYS HB3 H -3.492 4.231 -4.015 1.00 . A A . 11 LYS HB3 1 1
5 2178 1 1 11 LYS HD2 H -3.575 5.236 -6.353 1.00 . A A . 11 LYS HD2 1 1
5 2179 1 1 11 LYS HD3 H -4.468 6.444 -5.433 1.00 . A A . 11 LYS HD3 1 1
5 2180 1 1 11 LYS HE2 H -2.028 7.049 -7.098 1.00 . A A . 11 LYS HE2 1 1
5 2181 1 1 11 LYS HE3 H -3.685 7.223 -7.672 1.00 . A A . 11 LYS HE3 1 1
5 2182 1 1 11 LYS HG2 H -2.300 6.982 -4.258 1.00 . A A . 11 LYS HG2 1 1
5 2183 1 1 11 LYS HG3 H -1.617 5.554 -5.037 1.00 . A A . 11 LYS HG3 1 1
5 2184 1 1 11 LYS HZ1 H -2.828 9.329 -6.897 1.00 . A A . 11 LYS HZ1 1 1
5 2185 1 1 11 LYS HZ2 H -2.478 8.678 -5.377 1.00 . A A . 11 LYS HZ2 1 1
5 2186 1 1 11 LYS HZ3 H -4.086 8.820 -5.888 1.00 . A A . 11 LYS HZ3 1 1
5 2187 1 1 11 LYS N N -3.707 6.980 -2.066 1.00 . A A . 11 LYS N 1 1
5 2188 1 1 11 LYS NZ N -3.113 8.613 -6.199 1.00 . A A . 11 LYS NZ 1 1
5 2189 1 1 11 LYS O O -4.213 4.541 -0.725 1.00 . A A . 11 LYS O 1 1
5 2190 1 1 12 . C C -6.862 1.913 -1.881 1.00 . A A . 12 MMO C 1 1
5 2191 1 1 12 . CA C -6.626 3.255 -1.184 1.00 . A A . 12 MMO CA 1 1
5 2192 1 1 12 . CB C -7.955 3.864 -0.719 1.00 . A A . 12 MMO CB 1 1
5 2193 1 1 12 . CD C -9.117 5.497 0.802 1.00 . A A . 12 MMO CD 1 1
5 2194 1 1 12 . CG C -7.791 5.075 0.189 1.00 . A A . 12 MMO CG 1 1
5 2195 1 1 12 . CN C -6.733 4.713 -3.279 1.00 . A A . 12 MMO CN 1 1
5 2196 1 1 12 . CZ C -9.681 6.898 2.758 1.00 . A A . 12 MMO CZ 1 1
5 2197 1 1 12 . HA H -6.001 3.080 -0.322 1.00 . A A . 12 MMO HA 1 1
5 2198 1 1 12 . HC1 H -7.040 5.741 -3.170 1.00 . A A . 12 MMO HC1 1 1
5 2199 1 1 12 . HC2 H -7.603 4.090 -3.426 1.00 . A A . 12 MMO HC2 1 1
5 2200 1 1 12 . HC3 H -6.079 4.621 -4.134 1.00 . A A . 12 MMO HC3 1 1
5 2201 1 1 12 . HCB1 H -8.507 3.110 -0.177 1.00 . A A . 12 MMO HCB1 1 1
5 2202 1 1 12 . HCB2 H -8.526 4.163 -1.585 1.00 . A A . 12 MMO HCB2 1 1
5 2203 1 1 12 . HCD1 H -9.494 4.683 1.403 1.00 . A A . 12 MMO HCD1 1 1
5 2204 1 1 12 . HCD2 H -9.815 5.708 0.008 1.00 . A A . 12 MMO HCD2 1 1
5 2205 1 1 12 . HCG1 H -7.392 5.896 -0.389 1.00 . A A . 12 MMO HCG1 1 1
5 2206 1 1 12 . HCG2 H -7.105 4.824 0.983 1.00 . A A . 12 MMO HCG2 1 1
5 2207 1 1 12 . HE H -8.331 7.366 1.357 1.00 . A A . 12 MMO HE 1 1
5 2208 1 1 12 . HH11 H -10.016 8.173 4.297 1.00 . A A . 12 MMO HH11 1 1
5 2209 1 1 12 . HH12 H -8.820 8.689 3.150 1.00 . A A . 12 MMO HH12 1 1
5 2210 1 1 12 . HH21 H -10.713 5.153 2.662 1.00 . A A . 12 MMO HH21 1 1
5 2211 1 1 12 . HH22 H -11.086 6.159 4.023 1.00 . A A . 12 MMO HH22 1 1
5 2212 1 1 12 . N N -6.016 4.274 -2.060 1.00 . A A . 12 MMO N 1 1
5 2213 1 1 12 . NE N -8.979 6.685 1.643 1.00 . A A . 12 MMO NE 1 1
5 2214 1 1 12 . NH1 N -9.490 8.008 3.457 1.00 . A A . 12 MMO NH1 1 1
5 2215 1 1 12 . NH2 N -10.565 6.000 3.179 1.00 . A A . 12 MMO NH2 1 1
5 2216 1 1 12 . O O -6.971 1.824 -3.109 1.00 . A A . 12 MMO O 1 1
5 2217 1 1 13 PHE C C -8.039 -1.265 -0.695 1.00 . A A . 13 PHE C 1 1
5 2218 1 1 13 PHE CA C -7.047 -0.498 -1.559 1.00 . A A . 13 PHE CA 1 1
5 2219 1 1 13 PHE CB C -5.676 -1.184 -1.514 1.00 . A A . 13 PHE CB 1 1
5 2220 1 1 13 PHE CD1 C -4.384 -0.959 -3.644 1.00 . A A . 13 PHE CD1 1 1
5 2221 1 1 13 PHE CD2 C -3.942 0.588 -1.886 1.00 . A A . 13 PHE CD2 1 1
5 2222 1 1 13 PHE CE1 C -3.445 -0.331 -4.435 1.00 . A A . 13 PHE CE1 1 1
5 2223 1 1 13 PHE CE2 C -3.002 1.220 -2.669 1.00 . A A . 13 PHE CE2 1 1
5 2224 1 1 13 PHE CG C -4.643 -0.508 -2.365 1.00 . A A . 13 PHE CG 1 1
5 2225 1 1 13 PHE CZ C -2.752 0.760 -3.946 1.00 . A A . 13 PHE CZ 1 1
5 2226 1 1 13 PHE H H -6.902 1.020 -0.106 1.00 . A A . 13 PHE H 1 1
5 2227 1 1 13 PHE HA H -7.403 -0.471 -2.578 1.00 . A A . 13 PHE HA 1 1
5 2228 1 1 13 PHE HB2 H -5.314 -1.182 -0.496 1.00 . A A . 13 PHE HB2 1 1
5 2229 1 1 13 PHE HB3 H -5.775 -2.203 -1.855 1.00 . A A . 13 PHE HB3 1 1
5 2230 1 1 13 PHE HD1 H -4.926 -1.810 -4.026 1.00 . A A . 13 PHE HD1 1 1
5 2231 1 1 13 PHE HD2 H -4.141 0.948 -0.889 1.00 . A A . 13 PHE HD2 1 1
5 2232 1 1 13 PHE HE1 H -3.249 -0.692 -5.432 1.00 . A A . 13 PHE HE1 1 1
5 2233 1 1 13 PHE HE2 H -2.460 2.073 -2.283 1.00 . A A . 13 PHE HE2 1 1
5 2234 1 1 13 PHE HZ H -2.017 1.256 -4.564 1.00 . A A . 13 PHE HZ 1 1
5 2235 1 1 13 PHE N N -6.929 0.868 -1.075 1.00 . A A . 13 PHE N 1 1
5 2236 1 1 13 PHE O O -8.268 -0.912 0.460 1.00 . A A . 13 PHE O 1 1
5 2237 1 1 14 THR C C -8.928 -4.372 0.030 1.00 . A A . 14 THR C 1 1
5 2238 1 1 14 THR CA C -9.590 -3.108 -0.507 1.00 . A A . 14 THR CA 1 1
5 2239 1 1 14 THR CB C -10.819 -3.468 -1.373 1.00 . A A . 14 THR CB 1 1
5 2240 1 1 14 THR CG2 C -10.395 -4.163 -2.657 1.00 . A A . 14 THR CG2 1 1
5 2241 1 1 14 THR H H -8.418 -2.547 -2.180 1.00 . A A . 14 THR H 1 1
5 2242 1 1 14 THR HA H -9.931 -2.518 0.333 1.00 . A A . 14 THR HA 1 1
5 2243 1 1 14 THR HB H -11.331 -2.553 -1.635 1.00 . A A . 14 THR HB 1 1
5 2244 1 1 14 THR HG1 H -11.236 -4.785 0.044 1.00 . A A . 14 THR HG1 1 1
5 2245 1 1 14 THR HG21 H -9.752 -3.508 -3.224 1.00 . A A . 14 THR HG21 1 1
5 2246 1 1 14 THR HG22 H -11.269 -4.404 -3.242 1.00 . A A . 14 THR HG22 1 1
5 2247 1 1 14 THR HG23 H -9.862 -5.070 -2.416 1.00 . A A . 14 THR HG23 1 1
5 2248 1 1 14 THR N N -8.631 -2.306 -1.250 1.00 . A A . 14 THR N 1 1
5 2249 1 1 14 THR O O -9.528 -5.122 0.804 1.00 . A A . 14 THR O 1 1
5 2250 1 1 14 THR OG1 O -11.725 -4.308 -0.643 1.00 . A A . 14 THR OG1 1 1
5 2251 1 1 15 ARG C C -5.608 -5.259 0.739 1.00 . A A . 15 ARG C 1 1
5 2252 1 1 15 ARG CA C -6.907 -5.731 0.105 1.00 . A A . 15 ARG CA 1 1
5 2253 1 1 15 ARG CB C -6.599 -6.705 -1.031 1.00 . A A . 15 ARG CB 1 1
5 2254 1 1 15 ARG CD C -7.410 -8.538 -2.540 1.00 . A A . 15 ARG CD 1 1
5 2255 1 1 15 ARG CG C -7.795 -7.523 -1.477 1.00 . A A . 15 ARG CG 1 1
5 2256 1 1 15 ARG CZ C -8.425 -10.441 -3.734 1.00 . A A . 15 ARG CZ 1 1
5 2257 1 1 15 ARG H H -7.276 -3.981 -1.020 1.00 . A A . 15 ARG H 1 1
5 2258 1 1 15 ARG HA H -7.496 -6.235 0.853 1.00 . A A . 15 ARG HA 1 1
5 2259 1 1 15 ARG HB2 H -6.239 -6.144 -1.879 1.00 . A A . 15 ARG HB2 1 1
5 2260 1 1 15 ARG HB3 H -5.823 -7.385 -0.706 1.00 . A A . 15 ARG HB3 1 1
5 2261 1 1 15 ARG HD2 H -7.084 -8.011 -3.423 1.00 . A A . 15 ARG HD2 1 1
5 2262 1 1 15 ARG HD3 H -6.598 -9.142 -2.163 1.00 . A A . 15 ARG HD3 1 1
5 2263 1 1 15 ARG HE H -9.397 -9.222 -2.474 1.00 . A A . 15 ARG HE 1 1
5 2264 1 1 15 ARG HG2 H -8.198 -8.046 -0.621 1.00 . A A . 15 ARG HG2 1 1
5 2265 1 1 15 ARG HG3 H -8.542 -6.857 -1.879 1.00 . A A . 15 ARG HG3 1 1
5 2266 1 1 15 ARG HH11 H -6.461 -10.138 -4.131 1.00 . A A . 15 ARG HH11 1 1
5 2267 1 1 15 ARG HH12 H -7.183 -11.479 -4.960 1.00 . A A . 15 ARG HH12 1 1
5 2268 1 1 15 ARG HH21 H -10.365 -10.998 -3.554 1.00 . A A . 15 ARG HH21 1 1
5 2269 1 1 15 ARG HH22 H -9.407 -11.980 -4.617 1.00 . A A . 15 ARG HH22 1 1
5 2270 1 1 15 ARG N N -7.684 -4.597 -0.377 1.00 . A A . 15 ARG N 1 1
5 2271 1 1 15 ARG NE N -8.526 -9.413 -2.893 1.00 . A A . 15 ARG NE 1 1
5 2272 1 1 15 ARG NH1 N -7.264 -10.710 -4.321 1.00 . A A . 15 ARG NH1 1 1
5 2273 1 1 15 ARG NH2 N -9.485 -11.199 -3.991 1.00 . A A . 15 ARG NH2 1 1
5 2274 1 1 15 ARG O O -4.833 -4.527 0.121 1.00 . A A . 15 ARG O 1 1
5 2275 1 1 16 SER C C -2.948 -5.905 2.095 1.00 . A A . 16 SER C 1 1
5 2276 1 1 16 SER CA C -4.195 -5.305 2.722 1.00 . A A . 16 SER CA 1 1
5 2277 1 1 16 SER CB C -4.326 -5.757 4.178 1.00 . A A . 16 SER CB 1 1
5 2278 1 1 16 SER H H -6.029 -6.303 2.392 1.00 . A A . 16 SER H 1 1
5 2279 1 1 16 SER HA H -4.118 -4.229 2.688 1.00 . A A . 16 SER HA 1 1
5 2280 1 1 16 SER HB2 H -3.414 -5.529 4.709 1.00 . A A . 16 SER HB2 1 1
5 2281 1 1 16 SER HB3 H -5.152 -5.236 4.641 1.00 . A A . 16 SER HB3 1 1
5 2282 1 1 16 SER HG H -3.721 -7.628 4.222 1.00 . A A . 16 SER HG 1 1
5 2283 1 1 16 SER N N -5.380 -5.694 1.973 1.00 . A A . 16 SER N 1 1
5 2284 1 1 16 SER O O -1.890 -5.278 2.062 1.00 . A A . 16 SER O 1 1
5 2285 1 1 16 SER OG O -4.565 -7.153 4.258 1.00 . A A . 16 SER OG 1 1
5 2286 1 1 17 . C C -1.823 -6.929 -1.419 1.00 . A A . 17 B3D C 1 1
5 2287 1 1 17 . CA C -2.280 -8.041 -0.517 1.00 . A A . 17 B3D CA 1 1
5 2288 1 1 17 . CB C -1.982 -7.793 0.962 1.00 . A A . 17 B3D CB 1 1
5 2289 1 1 17 . CD C -1.373 -9.094 3.077 1.00 . A A . 17 B3D CD 1 1
5 2290 1 1 17 . CG C -1.779 -9.176 1.614 1.00 . A A . 17 B3D CG 1 1
5 2291 1 1 17 . H H -3.950 -7.576 1.657 1.00 . A A . 17 B3D H 1 1
5 2292 1 1 17 . HA1 H -1.787 -8.949 -0.823 1.00 . A A . 17 B3D HA1 1 1
5 2293 1 1 17 . HA2 H -3.346 -8.158 -0.643 1.00 . A A . 17 B3D HA2 1 1
5 2294 1 1 17 . HB H -1.106 -7.126 1.073 1.00 . A A . 17 B3D HB 1 1
5 2295 1 1 17 . HG2 H -1.010 -9.708 1.076 1.00 . A A . 17 B3D HG2 1 1
5 2296 1 1 17 . HG3 H -2.701 -9.731 1.550 1.00 . A A . 17 B3D HG3 1 1
5 2297 1 1 17 . N N -3.080 -7.123 1.595 1.00 . A A . 17 B3D N 1 1
5 2298 1 1 17 . O O -0.626 -6.713 -1.618 1.00 . A A . 17 B3D O 1 1
5 2299 1 1 17 . OE1 O -2.258 -8.878 3.938 1.00 . A A . 17 B3D OE1 1 1
5 2300 1 1 17 . OE2 O -0.171 -9.251 3.374 1.00 . A A . 17 B3D OE2 1 1
5 2301 1 1 18 GLU C C -1.925 -3.908 -2.235 1.00 . A A . 18 GLU C 1 1
5 2302 1 1 18 GLU CA C -2.538 -5.130 -2.903 1.00 . A A . 18 GLU CA 1 1
5 2303 1 1 18 GLU CB C -3.833 -4.742 -3.618 1.00 . A A . 18 GLU CB 1 1
5 2304 1 1 18 GLU CD C -3.493 -6.520 -5.377 1.00 . A A . 18 GLU CD 1 1
5 2305 1 1 18 GLU CG C -4.459 -5.887 -4.398 1.00 . A A . 18 GLU CG 1 1
5 2306 1 1 18 GLU H H -3.720 -6.370 -1.677 1.00 . A A . 18 GLU H 1 1
5 2307 1 1 18 GLU HA H -1.841 -5.508 -3.633 1.00 . A A . 18 GLU HA 1 1
5 2308 1 1 18 GLU HB2 H -4.548 -4.403 -2.881 1.00 . A A . 18 GLU HB2 1 1
5 2309 1 1 18 GLU HB3 H -3.625 -3.935 -4.304 1.00 . A A . 18 GLU HB3 1 1
5 2310 1 1 18 GLU HG2 H -4.787 -6.642 -3.701 1.00 . A A . 18 GLU HG2 1 1
5 2311 1 1 18 GLU HG3 H -5.308 -5.510 -4.945 1.00 . A A . 18 GLU HG3 1 1
5 2312 1 1 18 GLU N N -2.796 -6.192 -1.945 1.00 . A A . 18 GLU N 1 1
5 2313 1 1 18 GLU O O -1.089 -3.233 -2.825 1.00 . A A . 18 GLU O 1 1
5 2314 1 1 18 GLU OE1 O -2.979 -7.624 -5.088 1.00 . A A . 18 GLU OE1 1 1
5 2315 1 1 18 GLU OE2 O -3.245 -5.924 -6.444 1.00 . A A . 18 GLU OE2 1 1
5 2316 1 1 19 LEU C C -0.311 -2.720 0.000 1.00 . A A . 19 LEU C 1 1
5 2317 1 1 19 LEU CA C -1.797 -2.492 -0.270 1.00 . A A . 19 LEU CA 1 1
5 2318 1 1 19 LEU CB C -2.587 -2.293 1.034 1.00 . A A . 19 LEU CB 1 1
5 2319 1 1 19 LEU CD1 C -1.026 -1.358 2.793 1.00 . A A . 19 LEU CD1 1 1
5 2320 1 1 19 LEU CD2 C -1.945 0.151 1.031 1.00 . A A . 19 LEU CD2 1 1
5 2321 1 1 19 LEU CG C -2.221 -1.069 1.897 1.00 . A A . 19 LEU CG 1 1
5 2322 1 1 19 LEU H H -3.041 -4.175 -0.594 1.00 . A A . 19 LEU H 1 1
5 2323 1 1 19 LEU HA H -1.907 -1.614 -0.887 1.00 . A A . 19 LEU HA 1 1
5 2324 1 1 19 LEU HB2 H -3.632 -2.217 0.778 1.00 . A A . 19 LEU HB2 1 1
5 2325 1 1 19 LEU HB3 H -2.455 -3.178 1.639 1.00 . A A . 19 LEU HB3 1 1
5 2326 1 1 19 LEU HD11 H -0.181 -1.645 2.184 1.00 . A A . 19 LEU HD11 1 1
5 2327 1 1 19 LEU HD12 H -1.270 -2.162 3.473 1.00 . A A . 19 LEU HD12 1 1
5 2328 1 1 19 LEU HD13 H -0.778 -0.472 3.358 1.00 . A A . 19 LEU HD13 1 1
5 2329 1 1 19 LEU HD21 H -1.083 -0.037 0.408 1.00 . A A . 19 LEU HD21 1 1
5 2330 1 1 19 LEU HD22 H -1.753 1.004 1.662 1.00 . A A . 19 LEU HD22 1 1
5 2331 1 1 19 LEU HD23 H -2.801 0.351 0.408 1.00 . A A . 19 LEU HD23 1 1
5 2332 1 1 19 LEU HG H -3.058 -0.836 2.536 1.00 . A A . 19 LEU HG 1 1
5 2333 1 1 19 LEU N N -2.343 -3.621 -1.010 1.00 . A A . 19 LEU N 1 1
5 2334 1 1 19 LEU O O 0.517 -1.850 -0.265 1.00 . A A . 19 LEU O 1 1
5 2335 1 1 20 GLN C C 2.227 -4.344 -0.472 1.00 . A A . 20 GLN C 1 1
5 2336 1 1 20 GLN CA C 1.402 -4.245 0.809 1.00 . A A . 20 GLN CA 1 1
5 2337 1 1 20 GLN CB C 1.473 -5.558 1.587 1.00 . A A . 20 GLN CB 1 1
5 2338 1 1 20 GLN CD C 2.920 -7.210 2.828 1.00 . A A . 20 GLN CD 1 1
5 2339 1 1 20 GLN CG C 2.880 -5.926 2.026 1.00 . A A . 20 GLN CG 1 1
5 2340 1 1 20 GLN H H -0.692 -4.551 0.703 1.00 . A A . 20 GLN H 1 1
5 2341 1 1 20 GLN HA H 1.810 -3.455 1.418 1.00 . A A . 20 GLN HA 1 1
5 2342 1 1 20 GLN HB2 H 0.854 -5.476 2.467 1.00 . A A . 20 GLN HB2 1 1
5 2343 1 1 20 GLN HB3 H 1.094 -6.354 0.965 1.00 . A A . 20 GLN HB3 1 1
5 2344 1 1 20 GLN HE21 H 2.708 -6.192 4.522 1.00 . A A . 20 GLN HE21 1 1
5 2345 1 1 20 GLN HE22 H 2.826 -7.910 4.683 1.00 . A A . 20 GLN HE22 1 1
5 2346 1 1 20 GLN HG2 H 3.497 -6.047 1.148 1.00 . A A . 20 GLN HG2 1 1
5 2347 1 1 20 GLN HG3 H 3.273 -5.125 2.633 1.00 . A A . 20 GLN HG3 1 1
5 2348 1 1 20 GLN N N 0.018 -3.900 0.510 1.00 . A A . 20 GLN N 1 1
5 2349 1 1 20 GLN NE2 N 2.807 -7.093 4.142 1.00 . A A . 20 GLN NE2 1 1
5 2350 1 1 20 GLN O O 3.225 -3.642 -0.634 1.00 . A A . 20 GLN O 1 1
5 2351 1 1 20 GLN OE1 O 3.060 -8.300 2.269 1.00 . A A . 20 GLN OE1 1 1
5 2352 1 1 21 . C C 2.100 -3.357 -4.111 1.00 . A A . 21 HMR C 1 1
5 2353 1 1 21 . CA C 2.517 -5.370 -2.631 1.00 . A A . 21 HMR CA 1 1
5 2354 1 1 21 . CB C 2.691 -6.863 -2.938 1.00 . A A . 21 HMR CB 1 1
5 2355 1 1 21 . CD C 3.620 -9.093 -2.250 1.00 . A A . 21 HMR CD 1 1
5 2356 1 1 21 . CG C 3.481 -7.623 -1.886 1.00 . A A . 21 HMR CG 1 1
5 2357 1 1 21 . CH2 C 1.726 -4.780 -3.796 1.00 . A A . 21 HMR CH2 1 1
5 2358 1 1 21 . CZ C 4.573 -11.152 -1.272 1.00 . A A . 21 HMR CZ 1 1
5 2359 1 1 21 . H H 0.999 -5.746 -1.218 1.00 . A A . 21 HMR H 1 1
5 2360 1 1 21 . HA H 3.481 -4.838 -2.513 1.00 . A A . 21 HMR HA 1 1
5 2361 1 1 21 . HB2 H 3.202 -6.966 -3.884 1.00 . A A . 21 HMR HB2 1 1
5 2362 1 1 21 . HB3 H 1.716 -7.315 -3.015 1.00 . A A . 21 HMR HB3 1 1
5 2363 1 1 21 . HC1 H 1.901 -5.380 -4.675 1.00 . A A . 21 HMR HC1 1 1
5 2364 1 1 21 . HC2 H 0.672 -4.806 -3.553 1.00 . A A . 21 HMR HC2 1 1
5 2365 1 1 21 . HD2 H 4.097 -9.170 -3.216 1.00 . A A . 21 HMR HD2 1 1
5 2366 1 1 21 . HD3 H 2.636 -9.535 -2.299 1.00 . A A . 21 HMR HD3 1 1
5 2367 1 1 21 . HE H 4.865 -9.299 -0.567 1.00 . A A . 21 HMR HE 1 1
5 2368 1 1 21 . HG2 H 2.967 -7.543 -0.939 1.00 . A A . 21 HMR HG2 1 1
5 2369 1 1 21 . HG3 H 4.465 -7.186 -1.802 1.00 . A A . 21 HMR HG3 1 1
5 2370 1 1 21 . HH1 H 3.414 -11.462 -2.910 1.00 . A A . 21 HMR HH1 1 1
5 2371 1 1 21 . HH2 H 4.097 -12.890 -2.202 1.00 . A A . 21 HMR HH2 1 1
5 2372 1 1 21 . HH21 H 5.447 -12.726 -0.346 1.00 . A A . 21 HMR HH21 1 1
5 2373 1 1 21 . HH22 H 5.786 -11.177 0.351 1.00 . A A . 21 HMR HH22 1 1
5 2374 1 1 21 . N N 1.810 -5.212 -1.387 1.00 . A A . 21 HMR N 1 1
5 2375 1 1 21 . NE N 4.419 -9.827 -1.268 1.00 . A A . 21 HMR NE 1 1
5 2376 1 1 21 . NH1 N 3.980 -11.894 -2.201 1.00 . A A . 21 HMR NH1 1 1
5 2377 1 1 21 . NH2 N 5.328 -11.731 -0.349 1.00 . A A . 21 HMR NH2 1 1
5 2378 1 1 21 . O O 2.953 -3.082 -4.959 1.00 . A A . 21 HMR O 1 1
5 2379 1 1 22 HIS C C 2.856 -0.525 -2.816 1.00 . A A . 22 HIS C 1 1
5 2380 1 1 22 HIS CA C 1.655 -1.026 -3.613 1.00 . A A . 22 HIS CA 1 1
5 2381 1 1 22 HIS CB C 0.392 -0.258 -3.224 1.00 . A A . 22 HIS CB 1 1
5 2382 1 1 22 HIS CD2 C 0.974 2.102 -2.376 1.00 . A A . 22 HIS CD2 1 1
5 2383 1 1 22 HIS CE1 C 0.578 3.254 -4.180 1.00 . A A . 22 HIS CE1 1 1
5 2384 1 1 22 HIS CG C 0.545 1.224 -3.313 1.00 . A A . 22 HIS CG 1 1
5 2385 1 1 22 HIS H H 0.776 -2.738 -2.758 1.00 . A A . 22 HIS H 1 1
5 2386 1 1 22 HIS HA H 1.847 -0.866 -4.661 1.00 . A A . 22 HIS HA 1 1
5 2387 1 1 22 HIS HB2 H -0.413 -0.549 -3.879 1.00 . A A . 22 HIS HB2 1 1
5 2388 1 1 22 HIS HB3 H 0.128 -0.505 -2.207 1.00 . A A . 22 HIS HB3 1 1
5 2389 1 1 22 HIS HD1 H -0.035 1.621 -5.317 1.00 . A A . 22 HIS HD1 1 1
5 2390 1 1 22 HIS HD2 H 1.240 1.871 -1.357 1.00 . A A . 22 HIS HD2 1 1
5 2391 1 1 22 HIS HE1 H 0.475 4.078 -4.868 1.00 . A A . 22 HIS HE1 1 1
5 2392 1 1 22 HIS N N 1.445 -2.444 -3.418 1.00 . A A . 22 HIS N 1 1
5 2393 1 1 22 HIS ND1 N 0.288 1.971 -4.457 1.00 . A A . 22 HIS ND1 1 1
5 2394 1 1 22 HIS NE2 N 0.991 3.352 -2.942 1.00 . A A . 22 HIS NE2 1 1
5 2395 1 1 22 HIS O O 3.771 0.061 -3.392 1.00 . A A . 22 HIS O 1 1
5 2396 1 1 23 LYS C C 5.282 -0.667 -1.171 1.00 . A A . 23 LYS C 1 1
5 2397 1 1 23 LYS CA C 3.921 -0.265 -0.629 1.00 . A A . 23 LYS CA 1 1
5 2398 1 1 23 LYS CB C 3.762 -0.790 0.799 1.00 . A A . 23 LYS CB 1 1
5 2399 1 1 23 LYS CD C 2.689 1.306 1.682 1.00 . A A . 23 LYS CD 1 1
5 2400 1 1 23 LYS CE C 1.677 1.857 2.676 1.00 . A A . 23 LYS CE 1 1
5 2401 1 1 23 LYS CG C 2.577 -0.205 1.550 1.00 . A A . 23 LYS CG 1 1
5 2402 1 1 23 LYS H H 2.105 -1.264 -1.107 1.00 . A A . 23 LYS H 1 1
5 2403 1 1 23 LYS HA H 3.864 0.813 -0.613 1.00 . A A . 23 LYS HA 1 1
5 2404 1 1 23 LYS HB2 H 3.641 -1.863 0.764 1.00 . A A . 23 LYS HB2 1 1
5 2405 1 1 23 LYS HB3 H 4.658 -0.558 1.353 1.00 . A A . 23 LYS HB3 1 1
5 2406 1 1 23 LYS HD2 H 3.685 1.557 2.019 1.00 . A A . 23 LYS HD2 1 1
5 2407 1 1 23 LYS HD3 H 2.510 1.754 0.714 1.00 . A A . 23 LYS HD3 1 1
5 2408 1 1 23 LYS HE2 H 1.729 2.937 2.665 1.00 . A A . 23 LYS HE2 1 1
5 2409 1 1 23 LYS HE3 H 0.687 1.544 2.375 1.00 . A A . 23 LYS HE3 1 1
5 2410 1 1 23 LYS HG2 H 1.670 -0.443 1.014 1.00 . A A . 23 LYS HG2 1 1
5 2411 1 1 23 LYS HG3 H 2.537 -0.643 2.537 1.00 . A A . 23 LYS HG3 1 1
5 2412 1 1 23 LYS HZ1 H 1.284 1.839 4.725 1.00 . A A . 23 LYS HZ1 1 1
5 2413 1 1 23 LYS HZ2 H 2.910 1.596 4.339 1.00 . A A . 23 LYS HZ2 1 1
5 2414 1 1 23 LYS HZ3 H 1.793 0.348 4.115 1.00 . A A . 23 LYS HZ3 1 1
5 2415 1 1 23 LYS N N 2.849 -0.752 -1.500 1.00 . A A . 23 LYS N 1 1
5 2416 1 1 23 LYS NZ N 1.935 1.376 4.059 1.00 . A A . 23 LYS NZ 1 1
5 2417 1 1 23 LYS O O 6.186 0.165 -1.298 1.00 . A A . 23 LYS O 1 1
5 2418 1 1 24 . C C 7.178 -1.391 -4.309 1.00 . A A . 24 HMR C 1 1
5 2419 1 1 24 . CA C 6.657 -2.427 -2.049 1.00 . A A . 24 HMR CA 1 1
5 2420 1 1 24 . CB C 6.933 -3.826 -1.476 1.00 . A A . 24 HMR CB 1 1
5 2421 1 1 24 . CD C 8.502 -5.763 -1.213 1.00 . A A . 24 HMR CD 1 1
5 2422 1 1 24 . CG C 8.241 -4.453 -1.936 1.00 . A A . 24 HMR CG 1 1
5 2423 1 1 24 . CH2 C 6.550 -2.547 -3.570 1.00 . A A . 24 HMR CH2 1 1
5 2424 1 1 24 . CZ C 10.361 -7.374 -1.015 1.00 . A A . 24 HMR CZ 1 1
5 2425 1 1 24 . H H 4.671 -2.561 -1.366 1.00 . A A . 24 HMR H 1 1
5 2426 1 1 24 . HA H 7.434 -1.691 -1.777 1.00 . A A . 24 HMR HA 1 1
5 2427 1 1 24 . HB2 H 6.126 -4.484 -1.765 1.00 . A A . 24 HMR HB2 1 1
5 2428 1 1 24 . HB3 H 6.958 -3.757 -0.400 1.00 . A A . 24 HMR HB3 1 1
5 2429 1 1 24 . HC1 H 7.038 -3.452 -3.883 1.00 . A A . 24 HMR HC1 1 1
5 2430 1 1 24 . HC2 H 5.507 -2.596 -3.845 1.00 . A A . 24 HMR HC2 1 1
5 2431 1 1 24 . HD2 H 7.654 -6.416 -1.363 1.00 . A A . 24 HMR HD2 1 1
5 2432 1 1 24 . HD3 H 8.615 -5.559 -0.159 1.00 . A A . 24 HMR HD3 1 1
5 2433 1 1 24 . HE H 10.055 -6.153 -2.578 1.00 . A A . 24 HMR HE 1 1
5 2434 1 1 24 . HG2 H 9.050 -3.769 -1.729 1.00 . A A . 24 HMR HG2 1 1
5 2435 1 1 24 . HG3 H 8.188 -4.644 -2.995 1.00 . A A . 24 HMR HG3 1 1
5 2436 1 1 24 . HH1 H 11.765 -7.667 -2.445 1.00 . A A . 24 HMR HH1 1 1
5 2437 1 1 24 . HH2 H 11.934 -8.654 -1.026 1.00 . A A . 24 HMR HH2 1 1
5 2438 1 1 24 . HH21 H 9.107 -7.336 0.578 1.00 . A A . 24 HMR HH21 1 1
5 2439 1 1 24 . HH22 H 10.417 -8.464 0.697 1.00 . A A . 24 HMR HH22 1 1
5 2440 1 1 24 . N N 5.425 -1.940 -1.500 1.00 . A A . 24 HMR N 1 1
5 2441 1 1 24 . NE N 9.708 -6.431 -1.697 1.00 . A A . 24 HMR NE 1 1
5 2442 1 1 24 . NH1 N 11.439 -7.944 -1.537 1.00 . A A . 24 HMR NH1 1 1
5 2443 1 1 24 . NH2 N 9.927 -7.754 0.182 1.00 . A A . 24 HMR NH2 1 1
5 2444 1 1 24 . O O 8.313 -1.470 -4.781 1.00 . A A . 24 HMR O 1 1
5 2445 1 1 25 THR C C 7.647 1.850 -4.282 1.00 . A A . 25 THR C 1 1
5 2446 1 1 25 THR CA C 6.862 0.869 -5.155 1.00 . A A . 25 THR CA 1 1
5 2447 1 1 25 THR CB C 5.660 1.599 -5.792 1.00 . A A . 25 THR CB 1 1
5 2448 1 1 25 THR CG2 C 4.912 0.679 -6.745 1.00 . A A . 25 THR CG2 1 1
5 2449 1 1 25 THR H H 5.560 -0.276 -3.945 1.00 . A A . 25 THR H 1 1
5 2450 1 1 25 THR HA H 7.503 0.525 -5.950 1.00 . A A . 25 THR HA 1 1
5 2451 1 1 25 THR HB H 6.028 2.447 -6.347 1.00 . A A . 25 THR HB 1 1
5 2452 1 1 25 THR HG1 H 4.205 1.325 -4.477 1.00 . A A . 25 THR HG1 1 1
5 2453 1 1 25 THR HG21 H 5.584 0.338 -7.517 1.00 . A A . 25 THR HG21 1 1
5 2454 1 1 25 THR HG22 H 4.090 1.218 -7.193 1.00 . A A . 25 THR HG22 1 1
5 2455 1 1 25 THR HG23 H 4.530 -0.171 -6.198 1.00 . A A . 25 THR HG23 1 1
5 2456 1 1 25 THR N N 6.430 -0.297 -4.401 1.00 . A A . 25 THR N 1 1
5 2457 1 1 25 THR O O 8.706 2.335 -4.685 1.00 . A A . 25 THR O 1 1
5 2458 1 1 25 THR OG1 O 4.761 2.059 -4.775 1.00 . A A . 25 THR OG1 1 1
5 2459 1 1 26 HIS C C 9.011 2.447 -1.558 1.00 . A A . 26 HIS C 1 1
5 2460 1 1 26 HIS CA C 7.785 3.085 -2.185 1.00 . A A . 26 HIS CA 1 1
5 2461 1 1 26 HIS CB C 6.847 3.545 -1.063 1.00 . A A . 26 HIS CB 1 1
5 2462 1 1 26 HIS CD2 C 4.331 3.933 -1.489 1.00 . A A . 26 HIS CD2 1 1
5 2463 1 1 26 HIS CE1 C 4.369 6.009 -2.154 1.00 . A A . 26 HIS CE1 1 1
5 2464 1 1 26 HIS CG C 5.633 4.309 -1.502 1.00 . A A . 26 HIS CG 1 1
5 2465 1 1 26 HIS H H 6.312 1.679 -2.791 1.00 . A A . 26 HIS H 1 1
5 2466 1 1 26 HIS HA H 8.090 3.939 -2.769 1.00 . A A . 26 HIS HA 1 1
5 2467 1 1 26 HIS HB2 H 6.502 2.677 -0.523 1.00 . A A . 26 HIS HB2 1 1
5 2468 1 1 26 HIS HB3 H 7.404 4.177 -0.385 1.00 . A A . 26 HIS HB3 1 1
5 2469 1 1 26 HIS HD1 H 6.446 6.198 -2.058 1.00 . A A . 26 HIS HD1 1 1
5 2470 1 1 26 HIS HD2 H 3.947 2.962 -1.217 1.00 . A A . 26 HIS HD2 1 1
5 2471 1 1 26 HIS HE1 H 4.053 6.988 -2.483 1.00 . A A . 26 HIS HE1 1 1
5 2472 1 1 26 HIS N N 7.134 2.134 -3.084 1.00 . A A . 26 HIS N 1 1
5 2473 1 1 26 HIS ND1 N 5.647 5.634 -1.937 1.00 . A A . 26 HIS ND1 1 1
5 2474 1 1 26 HIS NE2 N 3.570 5.008 -1.893 1.00 . A A . 26 HIS NE2 1 1
5 2475 1 1 26 HIS O O 10.031 3.100 -1.338 1.00 . A A . 26 HIS O 1 1
5 2476 1 1 27 . C C 12.037 -0.753 -1.571 1.00 . A A . 27 B3T C 1 1
5 2477 1 1 27 . CA C 10.529 -0.622 -1.648 1.00 . A A . 27 B3T CA 1 1
5 2478 1 1 27 . CB C 9.982 0.411 -0.662 1.00 . A A . 27 B3T CB 1 1
5 2479 1 1 27 . CD2 C 9.220 0.772 1.711 1.00 . A A . 27 B3T CD2 1 1
5 2480 1 1 27 . CG C 9.528 -0.264 0.643 1.00 . A A . 27 B3T CG 1 1
5 2481 1 1 27 . H1D2 H 8.447 1.438 1.354 1.00 . A A . 27 B3T H1D2 1 1
5 2482 1 1 27 . H2D2 H 10.112 1.340 1.929 1.00 . A A . 27 B3T H2D2 1 1
5 2483 1 1 27 . H3D2 H 8.881 0.276 2.608 1.00 . A A . 27 B3T H3D2 1 1
5 2484 1 1 27 . HA H 10.263 -0.326 -2.652 1.00 . A A . 27 B3T HA 1 1
5 2485 1 1 27 . HAA H 10.090 -1.582 -1.430 1.00 . A A . 27 B3T HAA 1 1
5 2486 1 1 27 . HB H 10.766 1.106 -0.415 1.00 . A A . 27 B3T HB 1 1
5 2487 1 1 27 . HG H 10.325 -0.901 0.999 1.00 . A A . 27 B3T HG 1 1
5 2488 1 1 27 . HN H 8.048 0.705 -1.471 1.00 . A A . 27 B3T HN 1 1
5 2489 1 1 27 . HOD1 H 7.711 -0.544 -0.084 1.00 . A A . 27 B3T HOD1 1 1
5 2490 1 1 27 . N N 8.894 1.162 -1.269 1.00 . A A . 27 B3T N 1 1
5 2491 1 1 27 . O O 12.674 -0.171 -0.693 1.00 . A A . 27 B3T O 1 1
5 2492 1 1 27 . OD1 O 8.363 -1.063 0.403 1.00 . A A . 27 B3T OD1 1 1
5 2493 1 1 28 GLY C C 14.457 -2.730 -1.427 1.00 . A A . 28 GLY C 1 1
5 2494 1 1 28 GLY CA C 14.046 -1.735 -2.488 1.00 . A A . 28 GLY CA 1 1
5 2495 1 1 28 GLY H H 12.058 -1.939 -3.184 1.00 . A A . 28 GLY H 1 1
5 2496 1 1 28 GLY HA2 H 14.349 -2.106 -3.454 1.00 . A A . 28 GLY HA2 1 1
5 2497 1 1 28 GLY HA3 H 14.543 -0.796 -2.300 1.00 . A A . 28 GLY HA3 1 1
5 2498 1 1 28 GLY N N 12.612 -1.517 -2.493 1.00 . A A . 28 GLY N 1 1
5 2499 1 1 28 GLY O O 15.576 -2.677 -0.913 1.00 . A A . 28 GLY O 1 1
5 2500 1 1 29 GLU C C 14.148 -4.012 1.248 1.00 . A A . 29 GLU C 1 1
5 2501 1 1 29 GLU CA C 13.751 -4.654 -0.078 1.00 . A A . 29 GLU CA 1 1
5 2502 1 1 29 GLU CB C 14.822 -5.650 -0.515 1.00 . A A . 29 GLU CB 1 1
5 2503 1 1 29 GLU CD C 15.582 -7.364 -2.180 1.00 . A A . 29 GLU CD 1 1
5 2504 1 1 29 GLU CG C 14.492 -6.392 -1.795 1.00 . A A . 29 GLU CG 1 1
5 2505 1 1 29 GLU H H 12.682 -3.628 -1.586 1.00 . A A . 29 GLU H 1 1
5 2506 1 1 29 GLU HA H 12.818 -5.181 0.061 1.00 . A A . 29 GLU HA 1 1
5 2507 1 1 29 GLU HB2 H 15.747 -5.118 -0.666 1.00 . A A . 29 GLU HB2 1 1
5 2508 1 1 29 GLU HB3 H 14.962 -6.378 0.270 1.00 . A A . 29 GLU HB3 1 1
5 2509 1 1 29 GLU HG2 H 13.573 -6.938 -1.655 1.00 . A A . 29 GLU HG2 1 1
5 2510 1 1 29 GLU HG3 H 14.368 -5.674 -2.594 1.00 . A A . 29 GLU HG3 1 1
5 2511 1 1 29 GLU N N 13.536 -3.639 -1.106 1.00 . A A . 29 GLU N 1 1
5 2512 1 1 29 GLU O O 15.214 -4.297 1.799 1.00 . A A . 29 GLU O 1 1
5 2513 1 1 29 GLU OE1 O 15.398 -8.582 -1.977 1.00 . A A . 29 GLU OE1 1 1
5 2514 1 1 29 GLU OE2 O 16.638 -6.914 -2.669 1.00 . A A . 29 GLU OE2 1 1
5 2515 1 1 30 LYS C C 12.490 -2.890 4.036 1.00 . A A . 30 LYS C 1 1
5 2516 1 1 30 LYS CA C 13.551 -2.484 3.024 1.00 . A A . 30 LYS CA 1 1
5 2517 1 1 30 LYS CB C 13.578 -0.959 2.865 1.00 . A A . 30 LYS CB 1 1
5 2518 1 1 30 LYS CD C 14.817 1.043 1.971 1.00 . A A . 30 LYS CD 1 1
5 2519 1 1 30 LYS CE C 13.523 1.791 1.687 1.00 . A A . 30 LYS CE 1 1
5 2520 1 1 30 LYS CG C 14.633 -0.465 1.886 1.00 . A A . 30 LYS CG 1 1
5 2521 1 1 30 LYS H H 12.471 -2.930 1.261 1.00 . A A . 30 LYS H 1 1
5 2522 1 1 30 LYS HA H 14.515 -2.818 3.380 1.00 . A A . 30 LYS HA 1 1
5 2523 1 1 30 LYS HB2 H 12.611 -0.629 2.517 1.00 . A A . 30 LYS HB2 1 1
5 2524 1 1 30 LYS HB3 H 13.775 -0.512 3.827 1.00 . A A . 30 LYS HB3 1 1
5 2525 1 1 30 LYS HD2 H 15.155 1.298 2.965 1.00 . A A . 30 LYS HD2 1 1
5 2526 1 1 30 LYS HD3 H 15.562 1.345 1.247 1.00 . A A . 30 LYS HD3 1 1
5 2527 1 1 30 LYS HE2 H 13.223 1.593 0.669 1.00 . A A . 30 LYS HE2 1 1
5 2528 1 1 30 LYS HE3 H 12.760 1.433 2.363 1.00 . A A . 30 LYS HE3 1 1
5 2529 1 1 30 LYS HG2 H 15.573 -0.944 2.112 1.00 . A A . 30 LYS HG2 1 1
5 2530 1 1 30 LYS HG3 H 14.328 -0.725 0.883 1.00 . A A . 30 LYS HG3 1 1
5 2531 1 1 30 LYS HZ1 H 13.986 3.462 2.844 1.00 . A A . 30 LYS HZ1 1 1
5 2532 1 1 30 LYS HZ2 H 12.779 3.739 1.696 1.00 . A A . 30 LYS HZ2 1 1
5 2533 1 1 30 LYS HZ3 H 14.394 3.624 1.211 1.00 . A A . 30 LYS HZ3 1 1
5 2534 1 1 30 LYS N N 13.296 -3.135 1.751 1.00 . A A . 30 LYS N 1 1
5 2535 1 1 30 LYS NZ N 13.682 3.256 1.871 1.00 . A A . 30 LYS NZ 1 1
5 2536 1 1 30 LYS O O 11.692 -2.072 4.494 1.00 . A A . 30 LYS O 1 1
5 2537 1 1 31 NH2 HN1 H 13.162 -4.753 3.981 1.00 . A A . 31 NH2 HN1 1 1
5 2538 1 1 31 NH2 HN2 H 11.829 -4.465 5.045 1.00 . A A . 31 NH2 HN2 1 1
5 2539 1 1 31 NH2 N N 12.494 -4.161 4.390 1.00 . A A . 31 NH2 N 1 1
5 2540 2 2 1 ZN ZN ZN 1.576 5.015 -2.020 1.00 . B A . 101 ZN ZN 1 1
6 2541 1 1 1 PRO C C -9.275 0.583 3.961 1.00 . A A . 1 PRO C 1 1
6 2542 1 1 1 PRO CA C -10.684 0.200 3.528 1.00 . A A . 1 PRO CA 1 1
6 2543 1 1 1 PRO CB C -10.808 -1.308 3.398 1.00 . A A . 1 PRO CB 1 1
6 2544 1 1 1 PRO CD C -11.330 -0.289 1.299 1.00 . A A . 1 PRO CD 1 1
6 2545 1 1 1 PRO CG C -11.654 -1.466 2.191 1.00 . A A . 1 PRO CG 1 1
6 2546 1 1 1 PRO H2 H -10.220 1.426 1.994 1.00 . A A . 1 PRO H2 1 1
6 2547 1 1 1 PRO H3 H -11.781 1.510 2.456 1.00 . A A . 1 PRO H3 1 1
6 2548 1 1 1 PRO HA H -11.384 0.553 4.269 1.00 . A A . 1 PRO HA 1 1
6 2549 1 1 1 PRO HB2 H -9.827 -1.747 3.267 1.00 . A A . 1 PRO HB2 1 1
6 2550 1 1 1 PRO HB3 H -11.287 -1.718 4.273 1.00 . A A . 1 PRO HB3 1 1
6 2551 1 1 1 PRO HD2 H -10.473 -0.511 0.681 1.00 . A A . 1 PRO HD2 1 1
6 2552 1 1 1 PRO HD3 H -12.182 -0.044 0.682 1.00 . A A . 1 PRO HD3 1 1
6 2553 1 1 1 PRO HG2 H -11.417 -2.394 1.692 1.00 . A A . 1 PRO HG2 1 1
6 2554 1 1 1 PRO HG3 H -12.694 -1.446 2.471 1.00 . A A . 1 PRO HG3 1 1
6 2555 1 1 1 PRO N N -11.026 0.821 2.228 1.00 . A A . 1 PRO N 1 1
6 2556 1 1 1 PRO O O -9.090 1.270 4.963 1.00 . A A . 1 PRO O 1 1
6 2557 1 1 2 PHE C C -6.396 1.624 2.710 1.00 . A A . 2 PHE C 1 1
6 2558 1 1 2 PHE CA C -6.893 0.434 3.521 1.00 . A A . 2 PHE CA 1 1
6 2559 1 1 2 PHE CB C -6.016 -0.788 3.226 1.00 . A A . 2 PHE CB 1 1
6 2560 1 1 2 PHE CD1 C -7.239 -2.976 3.206 1.00 . A A . 2 PHE CD1 1 1
6 2561 1 1 2 PHE CD2 C -6.167 -2.299 5.225 1.00 . A A . 2 PHE CD2 1 1
6 2562 1 1 2 PHE CE1 C -7.669 -4.136 3.822 1.00 . A A . 2 PHE CE1 1 1
6 2563 1 1 2 PHE CE2 C -6.594 -3.456 5.846 1.00 . A A . 2 PHE CE2 1 1
6 2564 1 1 2 PHE CG C -6.485 -2.046 3.900 1.00 . A A . 2 PHE CG 1 1
6 2565 1 1 2 PHE CZ C -7.359 -4.369 5.149 1.00 . A A . 2 PHE CZ 1 1
6 2566 1 1 2 PHE H H -8.489 -0.353 2.375 1.00 . A A . 2 PHE H 1 1
6 2567 1 1 2 PHE HA H -6.837 0.668 4.573 1.00 . A A . 2 PHE HA 1 1
6 2568 1 1 2 PHE HB2 H -6.005 -0.965 2.161 1.00 . A A . 2 PHE HB2 1 1
6 2569 1 1 2 PHE HB3 H -5.010 -0.586 3.562 1.00 . A A . 2 PHE HB3 1 1
6 2570 1 1 2 PHE HD1 H -7.491 -2.790 2.174 1.00 . A A . 2 PHE HD1 1 1
6 2571 1 1 2 PHE HD2 H -5.583 -1.579 5.778 1.00 . A A . 2 PHE HD2 1 1
6 2572 1 1 2 PHE HE1 H -8.257 -4.853 3.271 1.00 . A A . 2 PHE HE1 1 1
6 2573 1 1 2 PHE HE2 H -6.339 -3.642 6.878 1.00 . A A . 2 PHE HE2 1 1
6 2574 1 1 2 PHE HZ H -7.696 -5.272 5.635 1.00 . A A . 2 PHE HZ 1 1
6 2575 1 1 2 PHE N N -8.284 0.155 3.193 1.00 . A A . 2 PHE N 1 1
6 2576 1 1 2 PHE O O -6.657 1.702 1.516 1.00 . A A . 2 PHE O 1 1
6 2577 1 1 3 . C C -3.636 3.890 2.772 1.00 . A A . 3 9KK C 1 1
6 2578 1 1 3 . CA C -5.138 3.701 2.571 1.00 . A A . 3 9KK CA 1 1
6 2579 1 1 3 . CB C -5.897 4.927 3.078 1.00 . A A . 3 9KK CB 1 1
6 2580 1 1 3 . CD C -6.285 7.400 2.856 1.00 . A A . 3 9KK CD 1 1
6 2581 1 1 3 . CE C -5.870 8.636 2.094 1.00 . A A . 3 9KK CE 1 1
6 2582 1 1 3 . CG C -5.509 6.201 2.349 1.00 . A A . 3 9KK CG 1 1
6 2583 1 1 3 . CM C -5.508 2.517 4.796 1.00 . A A . 3 9KK CM 1 1
6 2584 1 1 3 . HA H -5.331 3.581 1.514 1.00 . A A . 3 9KK HA 1 1
6 2585 1 1 3 . HB2 H -5.687 5.060 4.130 1.00 . A A . 3 9KK HB2 1 1
6 2586 1 1 3 . HB3 H -6.956 4.764 2.946 1.00 . A A . 3 9KK HB3 1 1
6 2587 1 1 3 . HD2 H -6.075 7.548 3.906 1.00 . A A . 3 9KK HD2 1 1
6 2588 1 1 3 . HD3 H -7.342 7.234 2.707 1.00 . A A . 3 9KK HD3 1 1
6 2589 1 1 3 . HE1 H -4.818 8.818 2.248 1.00 . A A . 3 9KK HE1 1 1
6 2590 1 1 3 . HE2 H -6.438 9.485 2.446 1.00 . A A . 3 9KK HE2 1 1
6 2591 1 1 3 . HE3 H -6.060 8.490 1.040 1.00 . A A . 3 9KK HE3 1 1
6 2592 1 1 3 . HG2 H -5.708 6.072 1.295 1.00 . A A . 3 9KK HG2 1 1
6 2593 1 1 3 . HG3 H -4.454 6.378 2.497 1.00 . A A . 3 9KK HG3 1 1
6 2594 1 1 3 . HM1 H -5.109 1.551 5.067 1.00 . A A . 3 9KK HM1 1 1
6 2595 1 1 3 . HM2 H -6.457 2.669 5.288 1.00 . A A . 3 9KK HM2 1 1
6 2596 1 1 3 . HM3 H -4.816 3.287 5.100 1.00 . A A . 3 9KK HM3 1 1
6 2597 1 1 3 . N N -5.698 2.579 3.333 1.00 . A A . 3 9KK N 1 1
6 2598 1 1 3 . O O -3.127 3.917 3.894 1.00 . A A . 3 9KK O 1 1
6 2599 1 1 4 CYS C C -1.287 5.813 1.821 1.00 . A A . 4 CYS C 1 1
6 2600 1 1 4 CYS CA C -1.512 4.310 1.717 1.00 . A A . 4 CYS CA 1 1
6 2601 1 1 4 CYS CB C -0.813 3.762 0.476 1.00 . A A . 4 CYS CB 1 1
6 2602 1 1 4 CYS H H -3.374 3.942 0.798 1.00 . A A . 4 CYS H 1 1
6 2603 1 1 4 CYS HA H -1.105 3.830 2.594 1.00 . A A . 4 CYS HA 1 1
6 2604 1 1 4 CYS HB2 H -0.994 2.699 0.405 1.00 . A A . 4 CYS HB2 1 1
6 2605 1 1 4 CYS HB3 H -1.212 4.251 -0.401 1.00 . A A . 4 CYS HB3 1 1
6 2606 1 1 4 CYS N N -2.928 4.028 1.670 1.00 . A A . 4 CYS N 1 1
6 2607 1 1 4 CYS O O -1.244 6.512 0.809 1.00 . A A . 4 CYS O 1 1
6 2608 1 1 4 CYS SG S 0.970 4.022 0.488 1.00 . A A . 4 CYS SG 1 1
6 2609 1 1 5 THR C C 0.536 8.055 3.351 1.00 . A A . 5 THR C 1 1
6 2610 1 1 5 THR CA C -0.960 7.731 3.269 1.00 . A A . 5 THR CA 1 1
6 2611 1 1 5 THR CB C -1.673 8.175 4.561 1.00 . A A . 5 THR CB 1 1
6 2612 1 1 5 THR CG2 C -1.911 9.680 4.569 1.00 . A A . 5 THR CG2 1 1
6 2613 1 1 5 THR H H -1.197 5.704 3.813 1.00 . A A . 5 THR H 1 1
6 2614 1 1 5 THR HA H -1.392 8.268 2.435 1.00 . A A . 5 THR HA 1 1
6 2615 1 1 5 THR HB H -1.057 7.912 5.409 1.00 . A A . 5 THR HB 1 1
6 2616 1 1 5 THR HG1 H -3.468 7.705 3.888 1.00 . A A . 5 THR HG1 1 1
6 2617 1 1 5 THR HG21 H -2.541 9.949 3.735 1.00 . A A . 5 THR HG21 1 1
6 2618 1 1 5 THR HG22 H -0.964 10.192 4.486 1.00 . A A . 5 THR HG22 1 1
6 2619 1 1 5 THR HG23 H -2.393 9.962 5.491 1.00 . A A . 5 THR HG23 1 1
6 2620 1 1 5 THR N N -1.158 6.309 3.041 1.00 . A A . 5 THR N 1 1
6 2621 1 1 5 THR O O 0.985 8.814 4.213 1.00 . A A . 5 THR O 1 1
6 2622 1 1 5 THR OG1 O -2.936 7.502 4.663 1.00 . A A . 5 THR OG1 1 1
6 2623 1 1 6 TRP C C 3.005 9.111 1.910 1.00 . A A . 6 TRP C 1 1
6 2624 1 1 6 TRP CA C 2.733 7.683 2.365 1.00 . A A . 6 TRP CA 1 1
6 2625 1 1 6 TRP CB C 3.360 6.674 1.392 1.00 . A A . 6 TRP CB 1 1
6 2626 1 1 6 TRP CD1 C 5.759 7.381 0.819 1.00 . A A . 6 TRP CD1 1 1
6 2627 1 1 6 TRP CD2 C 5.622 5.626 2.199 1.00 . A A . 6 TRP CD2 1 1
6 2628 1 1 6 TRP CE2 C 6.981 5.911 1.970 1.00 . A A . 6 TRP CE2 1 1
6 2629 1 1 6 TRP CE3 C 5.291 4.556 3.035 1.00 . A A . 6 TRP CE3 1 1
6 2630 1 1 6 TRP CG C 4.856 6.584 1.463 1.00 . A A . 6 TRP CG 1 1
6 2631 1 1 6 TRP CH2 C 7.650 4.126 3.359 1.00 . A A . 6 TRP CH2 1 1
6 2632 1 1 6 TRP CZ2 C 8.006 5.167 2.546 1.00 . A A . 6 TRP CZ2 1 1
6 2633 1 1 6 TRP CZ3 C 6.308 3.817 3.604 1.00 . A A . 6 TRP CZ3 1 1
6 2634 1 1 6 TRP H H 0.884 6.840 1.809 1.00 . A A . 6 TRP H 1 1
6 2635 1 1 6 TRP HA H 3.154 7.541 3.346 1.00 . A A . 6 TRP HA 1 1
6 2636 1 1 6 TRP HB2 H 2.964 5.695 1.598 1.00 . A A . 6 TRP HB2 1 1
6 2637 1 1 6 TRP HB3 H 3.095 6.953 0.384 1.00 . A A . 6 TRP HB3 1 1
6 2638 1 1 6 TRP HD1 H 5.488 8.204 0.174 1.00 . A A . 6 TRP HD1 1 1
6 2639 1 1 6 TRP HE1 H 7.862 7.413 0.795 1.00 . A A . 6 TRP HE1 1 1
6 2640 1 1 6 TRP HE3 H 4.263 4.303 3.235 1.00 . A A . 6 TRP HE3 1 1
6 2641 1 1 6 TRP HH2 H 8.411 3.520 3.826 1.00 . A A . 6 TRP HH2 1 1
6 2642 1 1 6 TRP HZ2 H 9.047 5.391 2.368 1.00 . A A . 6 TRP HZ2 1 1
6 2643 1 1 6 TRP HZ3 H 6.072 2.987 4.252 1.00 . A A . 6 TRP HZ3 1 1
6 2644 1 1 6 TRP N N 1.299 7.456 2.445 1.00 . A A . 6 TRP N 1 1
6 2645 1 1 6 TRP NE1 N 7.039 6.990 1.128 1.00 . A A . 6 TRP NE1 1 1
6 2646 1 1 6 TRP O O 2.129 9.756 1.335 1.00 . A A . 6 TRP O 1 1
6 2647 1 1 7 ABA C C 4.419 11.108 0.264 1.00 . A A . 7 AIB C 1 1
6 2648 1 1 7 ABA CA C 4.639 10.935 1.778 1.00 . A A . 7 AIB CA 1 1
6 2649 1 1 7 ABA H H 4.823 9.041 2.713 1.00 . A A . 7 AIB H 1 1
6 2650 1 1 7 ABA N N 4.205 9.599 2.195 1.00 . A A . 7 AIB N 1 1
6 2651 1 1 7 ABA O O 5.067 10.439 -0.550 1.00 . A A . 7 AIB O 1 1
6 2652 1 1 8 GLY C C 2.313 11.240 -2.143 1.00 . A A . 8 GLY C 1 1
6 2653 1 1 8 GLY CA C 3.240 12.258 -1.510 1.00 . A A . 8 GLY CA 1 1
6 2654 1 1 8 GLY H H 2.975 12.455 0.578 1.00 . A A . 8 GLY H 1 1
6 2655 1 1 8 GLY HA2 H 2.796 13.239 -1.601 1.00 . A A . 8 GLY HA2 1 1
6 2656 1 1 8 GLY HA3 H 4.182 12.248 -2.041 1.00 . A A . 8 GLY HA3 1 1
6 2657 1 1 8 GLY N N 3.492 11.986 -0.108 1.00 . A A . 8 GLY N 1 1
6 2658 1 1 8 GLY O O 2.087 11.258 -3.351 1.00 . A A . 8 GLY O 1 1
6 2659 1 1 9 CYS C C -0.509 9.489 -1.214 1.00 . A A . 9 CYS C 1 1
6 2660 1 1 9 CYS CA C 0.890 9.310 -1.806 1.00 . A A . 9 CYS CA 1 1
6 2661 1 1 9 CYS CB C 1.462 7.941 -1.430 1.00 . A A . 9 CYS CB 1 1
6 2662 1 1 9 CYS H H 1.968 10.406 -0.365 1.00 . A A . 9 CYS H 1 1
6 2663 1 1 9 CYS HA H 0.831 9.389 -2.881 1.00 . A A . 9 CYS HA 1 1
6 2664 1 1 9 CYS HB2 H 2.519 7.933 -1.640 1.00 . A A . 9 CYS HB2 1 1
6 2665 1 1 9 CYS HB3 H 1.311 7.781 -0.373 1.00 . A A . 9 CYS HB3 1 1
6 2666 1 1 9 CYS N N 1.771 10.355 -1.325 1.00 . A A . 9 CYS N 1 1
6 2667 1 1 9 CYS O O -0.771 10.452 -0.489 1.00 . A A . 9 CYS O 1 1
6 2668 1 1 9 CYS SG S 0.715 6.549 -2.312 1.00 . A A . 9 CYS SG 1 1
6 2669 1 1 10 GLY C C -3.678 7.759 -1.870 1.00 . A A . 10 GLY C 1 1
6 2670 1 1 10 GLY CA C -2.762 8.648 -1.059 1.00 . A A . 10 GLY CA 1 1
6 2671 1 1 10 GLY H H -1.109 7.786 -2.052 1.00 . A A . 10 GLY H 1 1
6 2672 1 1 10 GLY HA2 H -2.806 8.351 -0.022 1.00 . A A . 10 GLY HA2 1 1
6 2673 1 1 10 GLY HA3 H -3.094 9.670 -1.147 1.00 . A A . 10 GLY HA3 1 1
6 2674 1 1 10 GLY N N -1.394 8.557 -1.517 1.00 . A A . 10 GLY N 1 1
6 2675 1 1 10 GLY O O -4.670 8.221 -2.435 1.00 . A A . 10 GLY O 1 1
6 2676 1 1 11 LYS C C -4.878 4.587 -1.784 1.00 . A A . 11 LYS C 1 1
6 2677 1 1 11 LYS CA C -4.102 5.519 -2.711 1.00 . A A . 11 LYS CA 1 1
6 2678 1 1 11 LYS CB C -3.165 4.705 -3.614 1.00 . A A . 11 LYS CB 1 1
6 2679 1 1 11 LYS CD C -3.405 6.128 -5.679 1.00 . A A . 11 LYS CD 1 1
6 2680 1 1 11 LYS CE C -2.693 7.001 -6.703 1.00 . A A . 11 LYS CE 1 1
6 2681 1 1 11 LYS CG C -2.438 5.536 -4.664 1.00 . A A . 11 LYS CG 1 1
6 2682 1 1 11 LYS H H -2.557 6.169 -1.428 1.00 . A A . 11 LYS H 1 1
6 2683 1 1 11 LYS HA H -4.800 6.067 -3.321 1.00 . A A . 11 LYS HA 1 1
6 2684 1 1 11 LYS HB2 H -2.424 4.221 -2.995 1.00 . A A . 11 LYS HB2 1 1
6 2685 1 1 11 LYS HB3 H -3.744 3.947 -4.122 1.00 . A A . 11 LYS HB3 1 1
6 2686 1 1 11 LYS HD2 H -3.906 5.323 -6.196 1.00 . A A . 11 LYS HD2 1 1
6 2687 1 1 11 LYS HD3 H -4.135 6.727 -5.157 1.00 . A A . 11 LYS HD3 1 1
6 2688 1 1 11 LYS HE2 H -3.430 7.425 -7.369 1.00 . A A . 11 LYS HE2 1 1
6 2689 1 1 11 LYS HE3 H -2.182 7.798 -6.183 1.00 . A A . 11 LYS HE3 1 1
6 2690 1 1 11 LYS HG2 H -1.915 6.342 -4.170 1.00 . A A . 11 LYS HG2 1 1
6 2691 1 1 11 LYS HG3 H -1.727 4.906 -5.180 1.00 . A A . 11 LYS HG3 1 1
6 2692 1 1 11 LYS HZ1 H -0.920 5.915 -6.904 1.00 . A A . 11 LYS HZ1 1 1
6 2693 1 1 11 LYS HZ2 H -1.319 6.839 -8.264 1.00 . A A . 11 LYS HZ2 1 1
6 2694 1 1 11 LYS HZ3 H -2.158 5.408 -7.939 1.00 . A A . 11 LYS HZ3 1 1
6 2695 1 1 11 LYS N N -3.336 6.481 -1.933 1.00 . A A . 11 LYS N 1 1
6 2696 1 1 11 LYS NZ N -1.703 6.237 -7.506 1.00 . A A . 11 LYS NZ 1 1
6 2697 1 1 11 LYS O O -4.374 4.208 -0.727 1.00 . A A . 11 LYS O 1 1
6 2698 1 1 12 . C C -7.102 1.928 -1.917 1.00 . A A . 12 MMO C 1 1
6 2699 1 1 12 . CA C -6.914 3.314 -1.304 1.00 . A A . 12 MMO CA 1 1
6 2700 1 1 12 . CB C -8.262 4.025 -1.126 1.00 . A A . 12 MMO CB 1 1
6 2701 1 1 12 . CD C -9.519 6.015 -0.236 1.00 . A A . 12 MMO CD 1 1
6 2702 1 1 12 . CG C -8.166 5.330 -0.349 1.00 . A A . 12 MMO CG 1 1
6 2703 1 1 12 . CN C -6.671 4.706 -3.433 1.00 . A A . 12 MMO CN 1 1
6 2704 1 1 12 . CZ C -10.430 7.932 1.032 1.00 . A A . 12 MMO CZ 1 1
6 2705 1 1 12 . HA H -6.448 3.195 -0.336 1.00 . A A . 12 MMO HA 1 1
6 2706 1 1 12 . HC1 H -7.515 4.095 -3.715 1.00 . A A . 12 MMO HC1 1 1
6 2707 1 1 12 . HC2 H -5.913 4.646 -4.201 1.00 . A A . 12 MMO HC2 1 1
6 2708 1 1 12 . HC3 H -6.990 5.730 -3.321 1.00 . A A . 12 MMO HC3 1 1
6 2709 1 1 12 . HCB1 H -8.931 3.366 -0.592 1.00 . A A . 12 MMO HCB1 1 1
6 2710 1 1 12 . HCB2 H -8.679 4.237 -2.098 1.00 . A A . 12 MMO HCB2 1 1
6 2711 1 1 12 . HCD1 H -10.178 5.387 0.344 1.00 . A A . 12 MMO HCD1 1 1
6 2712 1 1 12 . HCD2 H -9.929 6.144 -1.227 1.00 . A A . 12 MMO HCD2 1 1
6 2713 1 1 12 . HCG1 H -7.478 5.991 -0.855 1.00 . A A . 12 MMO HCG1 1 1
6 2714 1 1 12 . HCG2 H -7.799 5.119 0.644 1.00 . A A . 12 MMO HCG2 1 1
6 2715 1 1 12 . HE H -8.547 7.776 0.374 1.00 . A A . 12 MMO HE 1 1
6 2716 1 1 12 . HH11 H -11.000 9.581 2.065 1.00 . A A . 12 MMO HH11 1 1
6 2717 1 1 12 . HH12 H -9.343 9.561 1.550 1.00 . A A . 12 MMO HH12 1 1
6 2718 1 1 12 . HH21 H -11.778 6.473 0.650 1.00 . A A . 12 MMO HH21 1 1
6 2719 1 1 12 . HH22 H -12.381 7.821 1.553 1.00 . A A . 12 MMO HH22 1 1
6 2720 1 1 12 . N N -6.114 4.214 -2.152 1.00 . A A . 12 MMO N 1 1
6 2721 1 1 12 . NE N -9.419 7.324 0.410 1.00 . A A . 12 MMO NE 1 1
6 2722 1 1 12 . NH1 N -10.241 9.119 1.594 1.00 . A A . 12 MMO NH1 1 1
6 2723 1 1 12 . NH2 N -11.624 7.364 1.082 1.00 . A A . 12 MMO NH2 1 1
6 2724 1 1 12 . O O -7.327 1.780 -3.121 1.00 . A A . 12 MMO O 1 1
6 2725 1 1 13 PHE C C -8.056 -1.229 -0.607 1.00 . A A . 13 PHE C 1 1
6 2726 1 1 13 PHE CA C -7.070 -0.469 -1.485 1.00 . A A . 13 PHE CA 1 1
6 2727 1 1 13 PHE CB C -5.685 -1.111 -1.373 1.00 . A A . 13 PHE CB 1 1
6 2728 1 1 13 PHE CD1 C -4.386 -0.761 -3.485 1.00 . A A . 13 PHE CD1 1 1
6 2729 1 1 13 PHE CD2 C -3.895 0.626 -1.611 1.00 . A A . 13 PHE CD2 1 1
6 2730 1 1 13 PHE CE1 C -3.420 -0.108 -4.224 1.00 . A A . 13 PHE CE1 1 1
6 2731 1 1 13 PHE CE2 C -2.930 1.283 -2.342 1.00 . A A . 13 PHE CE2 1 1
6 2732 1 1 13 PHE CG C -4.633 -0.402 -2.173 1.00 . A A . 13 PHE CG 1 1
6 2733 1 1 13 PHE CZ C -2.692 0.917 -3.652 1.00 . A A . 13 PHE CZ 1 1
6 2734 1 1 13 PHE H H -6.884 1.118 -0.115 1.00 . A A . 13 PHE H 1 1
6 2735 1 1 13 PHE HA H -7.401 -0.503 -2.511 1.00 . A A . 13 PHE HA 1 1
6 2736 1 1 13 PHE HB2 H -5.374 -1.102 -0.339 1.00 . A A . 13 PHE HB2 1 1
6 2737 1 1 13 PHE HB3 H -5.738 -2.132 -1.720 1.00 . A A . 13 PHE HB3 1 1
6 2738 1 1 13 PHE HD1 H -4.958 -1.561 -3.932 1.00 . A A . 13 PHE HD1 1 1
6 2739 1 1 13 PHE HD2 H -4.084 0.914 -0.586 1.00 . A A . 13 PHE HD2 1 1
6 2740 1 1 13 PHE HE1 H -3.234 -0.397 -5.247 1.00 . A A . 13 PHE HE1 1 1
6 2741 1 1 13 PHE HE2 H -2.361 2.084 -1.892 1.00 . A A . 13 PHE HE2 1 1
6 2742 1 1 13 PHE HZ H -1.935 1.430 -4.228 1.00 . A A . 13 PHE HZ 1 1
6 2743 1 1 13 PHE N N -7.004 0.919 -1.067 1.00 . A A . 13 PHE N 1 1
6 2744 1 1 13 PHE O O -8.290 -0.853 0.544 1.00 . A A . 13 PHE O 1 1
6 2745 1 1 14 THR C C -8.922 -4.400 0.076 1.00 . A A . 14 THR C 1 1
6 2746 1 1 14 THR CA C -9.576 -3.099 -0.387 1.00 . A A . 14 THR CA 1 1
6 2747 1 1 14 THR CB C -10.857 -3.398 -1.205 1.00 . A A . 14 THR CB 1 1
6 2748 1 1 14 THR CG2 C -10.539 -4.189 -2.467 1.00 . A A . 14 THR CG2 1 1
6 2749 1 1 14 THR H H -8.441 -2.523 -2.082 1.00 . A A . 14 THR H 1 1
6 2750 1 1 14 THR HA H -9.861 -2.533 0.488 1.00 . A A . 14 THR HA 1 1
6 2751 1 1 14 THR HB H -11.306 -2.457 -1.495 1.00 . A A . 14 THR HB 1 1
6 2752 1 1 14 THR HG1 H -11.320 -4.772 0.139 1.00 . A A . 14 THR HG1 1 1
6 2753 1 1 14 THR HG21 H -11.436 -4.301 -3.058 1.00 . A A . 14 THR HG21 1 1
6 2754 1 1 14 THR HG22 H -10.167 -5.163 -2.193 1.00 . A A . 14 THR HG22 1 1
6 2755 1 1 14 THR HG23 H -9.791 -3.666 -3.041 1.00 . A A . 14 THR HG23 1 1
6 2756 1 1 14 THR N N -8.637 -2.287 -1.146 1.00 . A A . 14 THR N 1 1
6 2757 1 1 14 THR O O -9.585 -5.282 0.621 1.00 . A A . 14 THR O 1 1
6 2758 1 1 14 THR OG1 O -11.798 -4.129 -0.408 1.00 . A A . 14 THR OG1 1 1
6 2759 1 1 15 ARG C C -5.534 -5.288 0.876 1.00 . A A . 15 ARG C 1 1
6 2760 1 1 15 ARG CA C -6.864 -5.690 0.261 1.00 . A A . 15 ARG CA 1 1
6 2761 1 1 15 ARG CB C -6.618 -6.590 -0.951 1.00 . A A . 15 ARG CB 1 1
6 2762 1 1 15 ARG CD C -7.618 -7.828 -2.892 1.00 . A A . 15 ARG CD 1 1
6 2763 1 1 15 ARG CG C -7.894 -7.118 -1.581 1.00 . A A . 15 ARG CG 1 1
6 2764 1 1 15 ARG CZ C -9.040 -7.930 -4.902 1.00 . A A . 15 ARG CZ 1 1
6 2765 1 1 15 ARG H H -7.140 -3.766 -0.560 1.00 . A A . 15 ARG H 1 1
6 2766 1 1 15 ARG HA H -7.445 -6.229 0.993 1.00 . A A . 15 ARG HA 1 1
6 2767 1 1 15 ARG HB2 H -6.082 -6.024 -1.697 1.00 . A A . 15 ARG HB2 1 1
6 2768 1 1 15 ARG HB3 H -6.014 -7.432 -0.647 1.00 . A A . 15 ARG HB3 1 1
6 2769 1 1 15 ARG HD2 H -7.011 -7.189 -3.512 1.00 . A A . 15 ARG HD2 1 1
6 2770 1 1 15 ARG HD3 H -7.084 -8.743 -2.686 1.00 . A A . 15 ARG HD3 1 1
6 2771 1 1 15 ARG HE H -9.580 -8.552 -3.080 1.00 . A A . 15 ARG HE 1 1
6 2772 1 1 15 ARG HG2 H -8.359 -7.814 -0.897 1.00 . A A . 15 ARG HG2 1 1
6 2773 1 1 15 ARG HG3 H -8.560 -6.290 -1.762 1.00 . A A . 15 ARG HG3 1 1
6 2774 1 1 15 ARG HH11 H -7.203 -7.135 -5.224 1.00 . A A . 15 ARG HH11 1 1
6 2775 1 1 15 ARG HH12 H -8.228 -7.212 -6.615 1.00 . A A . 15 ARG HH12 1 1
6 2776 1 1 15 ARG HH21 H -10.930 -8.662 -4.909 1.00 . A A . 15 ARG HH21 1 1
6 2777 1 1 15 ARG HH22 H -10.347 -8.097 -6.441 1.00 . A A . 15 ARG HH22 1 1
6 2778 1 1 15 ARG N N -7.615 -4.506 -0.131 1.00 . A A . 15 ARG N 1 1
6 2779 1 1 15 ARG NE N -8.851 -8.149 -3.604 1.00 . A A . 15 ARG NE 1 1
6 2780 1 1 15 ARG NH1 N -8.078 -7.384 -5.640 1.00 . A A . 15 ARG NH1 1 1
6 2781 1 1 15 ARG NH2 N -10.197 -8.253 -5.463 1.00 . A A . 15 ARG NH2 1 1
6 2782 1 1 15 ARG O O -4.723 -4.609 0.241 1.00 . A A . 15 ARG O 1 1
6 2783 1 1 16 SER C C -2.880 -5.953 2.142 1.00 . A A . 16 SER C 1 1
6 2784 1 1 16 SER CA C -4.106 -5.398 2.853 1.00 . A A . 16 SER CA 1 1
6 2785 1 1 16 SER CB C -4.206 -5.949 4.276 1.00 . A A . 16 SER CB 1 1
6 2786 1 1 16 SER H H -6.005 -6.271 2.551 1.00 . A A . 16 SER H 1 1
6 2787 1 1 16 SER HA H -4.020 -4.322 2.896 1.00 . A A . 16 SER HA 1 1
6 2788 1 1 16 SER HB2 H -3.226 -5.956 4.729 1.00 . A A . 16 SER HB2 1 1
6 2789 1 1 16 SER HB3 H -4.869 -5.323 4.857 1.00 . A A . 16 SER HB3 1 1
6 2790 1 1 16 SER HG H -4.077 -7.865 4.686 1.00 . A A . 16 SER HG 1 1
6 2791 1 1 16 SER N N -5.321 -5.716 2.116 1.00 . A A . 16 SER N 1 1
6 2792 1 1 16 SER O O -1.821 -5.324 2.119 1.00 . A A . 16 SER O 1 1
6 2793 1 1 16 SER OG O -4.718 -7.273 4.270 1.00 . A A . 16 SER OG 1 1
6 2794 1 1 17 . C C -1.906 -6.873 -1.552 1.00 . A A . 17 B3D C 1 1
6 2795 1 1 17 . CA C -2.346 -7.972 -0.621 1.00 . A A . 17 B3D CA 1 1
6 2796 1 1 17 . CB C -1.944 -7.732 0.836 1.00 . A A . 17 B3D CB 1 1
6 2797 1 1 17 . CD C -2.678 -10.145 1.295 1.00 . A A . 17 B3D CD 1 1
6 2798 1 1 17 . CG C -1.585 -9.097 1.458 1.00 . A A . 17 B3D CG 1 1
6 2799 1 1 17 . H H -3.880 -7.605 1.642 1.00 . A A . 17 B3D H 1 1
6 2800 1 1 17 . HA1 H -1.904 -8.898 -0.957 1.00 . A A . 17 B3D HA1 1 1
6 2801 1 1 17 . HA2 H -3.421 -8.051 -0.679 1.00 . A A . 17 B3D HA2 1 1
6 2802 1 1 17 . HB H -1.106 -7.008 0.883 1.00 . A A . 17 B3D HB 1 1
6 2803 1 1 17 . HG2 H -1.400 -8.963 2.513 1.00 . A A . 17 B3D HG2 1 1
6 2804 1 1 17 . HG3 H -0.691 -9.469 0.989 1.00 . A A . 17 B3D HG3 1 1
6 2805 1 1 17 . N N -3.023 -7.132 1.565 1.00 . A A . 17 B3D N 1 1
6 2806 1 1 17 . O O -0.711 -6.678 -1.791 1.00 . A A . 17 B3D O 1 1
6 2807 1 1 17 . OE1 O -2.612 -10.935 0.330 1.00 . A A . 17 B3D OE1 1 1
6 2808 1 1 17 . OE2 O -3.609 -10.182 2.127 1.00 . A A . 17 B3D OE2 1 1
6 2809 1 1 18 GLU C C -1.897 -3.900 -2.248 1.00 . A A . 18 GLU C 1 1
6 2810 1 1 18 GLU CA C -2.644 -5.014 -2.960 1.00 . A A . 18 GLU CA 1 1
6 2811 1 1 18 GLU CB C -3.962 -4.459 -3.494 1.00 . A A . 18 GLU CB 1 1
6 2812 1 1 18 GLU CD C -6.113 -4.874 -4.714 1.00 . A A . 18 GLU CD 1 1
6 2813 1 1 18 GLU CG C -4.796 -5.464 -4.263 1.00 . A A . 18 GLU CG 1 1
6 2814 1 1 18 GLU H H -3.813 -6.349 -1.822 1.00 . A A . 18 GLU H 1 1
6 2815 1 1 18 GLU HA H -2.049 -5.369 -3.785 1.00 . A A . 18 GLU HA 1 1
6 2816 1 1 18 GLU HB2 H -4.550 -4.106 -2.659 1.00 . A A . 18 GLU HB2 1 1
6 2817 1 1 18 GLU HB3 H -3.749 -3.627 -4.148 1.00 . A A . 18 GLU HB3 1 1
6 2818 1 1 18 GLU HG2 H -4.242 -5.786 -5.131 1.00 . A A . 18 GLU HG2 1 1
6 2819 1 1 18 GLU HG3 H -4.997 -6.312 -3.627 1.00 . A A . 18 GLU HG3 1 1
6 2820 1 1 18 GLU N N -2.889 -6.132 -2.060 1.00 . A A . 18 GLU N 1 1
6 2821 1 1 18 GLU O O -0.980 -3.309 -2.807 1.00 . A A . 18 GLU O 1 1
6 2822 1 1 18 GLU OE1 O -6.980 -4.626 -3.853 1.00 . A A . 18 GLU OE1 1 1
6 2823 1 1 18 GLU OE2 O -6.286 -4.653 -5.932 1.00 . A A . 18 GLU OE2 1 1
6 2824 1 1 19 LEU C C -0.212 -2.827 -0.014 1.00 . A A . 19 LEU C 1 1
6 2825 1 1 19 LEU CA C -1.695 -2.545 -0.237 1.00 . A A . 19 LEU CA 1 1
6 2826 1 1 19 LEU CB C -2.451 -2.380 1.096 1.00 . A A . 19 LEU CB 1 1
6 2827 1 1 19 LEU CD1 C -0.787 -1.628 2.844 1.00 . A A . 19 LEU CD1 1 1
6 2828 1 1 19 LEU CD2 C -1.716 0.032 1.225 1.00 . A A . 19 LEU CD2 1 1
6 2829 1 1 19 LEU CG C -2.005 -1.234 2.022 1.00 . A A . 19 LEU CG 1 1
6 2830 1 1 19 LEU H H -3.038 -4.134 -0.621 1.00 . A A . 19 LEU H 1 1
6 2831 1 1 19 LEU HA H -1.789 -1.633 -0.806 1.00 . A A . 19 LEU HA 1 1
6 2832 1 1 19 LEU HB2 H -3.495 -2.230 0.865 1.00 . A A . 19 LEU HB2 1 1
6 2833 1 1 19 LEU HB3 H -2.360 -3.306 1.645 1.00 . A A . 19 LEU HB3 1 1
6 2834 1 1 19 LEU HD11 H -0.489 -0.798 3.467 1.00 . A A . 19 LEU HD11 1 1
6 2835 1 1 19 LEU HD12 H 0.024 -1.892 2.182 1.00 . A A . 19 LEU HD12 1 1
6 2836 1 1 19 LEU HD13 H -1.034 -2.475 3.466 1.00 . A A . 19 LEU HD13 1 1
6 2837 1 1 19 LEU HD21 H -2.601 0.323 0.681 1.00 . A A . 19 LEU HD21 1 1
6 2838 1 1 19 LEU HD22 H -0.911 -0.154 0.530 1.00 . A A . 19 LEU HD22 1 1
6 2839 1 1 19 LEU HD23 H -1.433 0.825 1.899 1.00 . A A . 19 LEU HD23 1 1
6 2840 1 1 19 LEU HG H -2.807 -1.014 2.710 1.00 . A A . 19 LEU HG 1 1
6 2841 1 1 19 LEU N N -2.303 -3.613 -1.017 1.00 . A A . 19 LEU N 1 1
6 2842 1 1 19 LEU O O 0.633 -1.979 -0.294 1.00 . A A . 19 LEU O 1 1
6 2843 1 1 20 GLN C C 2.296 -4.516 -0.532 1.00 . A A . 20 GLN C 1 1
6 2844 1 1 20 GLN CA C 1.482 -4.391 0.757 1.00 . A A . 20 GLN CA 1 1
6 2845 1 1 20 GLN CB C 1.547 -5.705 1.536 1.00 . A A . 20 GLN CB 1 1
6 2846 1 1 20 GLN CD C 3.383 -5.016 3.129 1.00 . A A . 20 GLN CD 1 1
6 2847 1 1 20 GLN CG C 2.937 -6.012 2.074 1.00 . A A . 20 GLN CG 1 1
6 2848 1 1 20 GLN H H -0.621 -4.661 0.668 1.00 . A A . 20 GLN H 1 1
6 2849 1 1 20 GLN HA H 1.913 -3.607 1.361 1.00 . A A . 20 GLN HA 1 1
6 2850 1 1 20 GLN HB2 H 0.863 -5.653 2.370 1.00 . A A . 20 GLN HB2 1 1
6 2851 1 1 20 GLN HB3 H 1.248 -6.511 0.886 1.00 . A A . 20 GLN HB3 1 1
6 2852 1 1 20 GLN HE21 H 5.276 -5.175 2.541 1.00 . A A . 20 GLN HE21 1 1
6 2853 1 1 20 GLN HE22 H 4.982 -4.088 3.858 1.00 . A A . 20 GLN HE22 1 1
6 2854 1 1 20 GLN HG2 H 2.928 -6.999 2.511 1.00 . A A . 20 GLN HG2 1 1
6 2855 1 1 20 GLN HG3 H 3.637 -5.987 1.253 1.00 . A A . 20 GLN HG3 1 1
6 2856 1 1 20 GLN N N 0.098 -4.020 0.475 1.00 . A A . 20 GLN N 1 1
6 2857 1 1 20 GLN NE2 N 4.675 -4.732 3.181 1.00 . A A . 20 GLN NE2 1 1
6 2858 1 1 20 GLN O O 3.320 -3.850 -0.700 1.00 . A A . 20 GLN O 1 1
6 2859 1 1 20 GLN OE1 O 2.566 -4.489 3.884 1.00 . A A . 20 GLN OE1 1 1
6 2860 1 1 21 . C C 2.235 -3.566 -4.221 1.00 . A A . 21 HMR C 1 1
6 2861 1 1 21 . CA C 2.550 -5.551 -2.688 1.00 . A A . 21 HMR CA 1 1
6 2862 1 1 21 . CB C 2.685 -7.054 -2.963 1.00 . A A . 21 HMR CB 1 1
6 2863 1 1 21 . CD C 3.438 -9.309 -2.157 1.00 . A A . 21 HMR CD 1 1
6 2864 1 1 21 . CG C 3.365 -7.823 -1.845 1.00 . A A . 21 HMR CG 1 1
6 2865 1 1 21 . CH2 C 1.787 -4.957 -3.869 1.00 . A A . 21 HMR CH2 1 1
6 2866 1 1 21 . CZ C 4.255 -11.380 -1.097 1.00 . A A . 21 HMR CZ 1 1
6 2867 1 1 21 . H H 1.003 -5.857 -1.288 1.00 . A A . 21 HMR H 1 1
6 2868 1 1 21 . HA H 3.528 -5.044 -2.570 1.00 . A A . 21 HMR HA 1 1
6 2869 1 1 21 . HB2 H 3.257 -7.194 -3.868 1.00 . A A . 21 HMR HB2 1 1
6 2870 1 1 21 . HB3 H 1.700 -7.467 -3.103 1.00 . A A . 21 HMR HB3 1 1
6 2871 1 1 21 . HC1 H 1.930 -5.588 -4.731 1.00 . A A . 21 HMR HC1 1 1
6 2872 1 1 21 . HC2 H 0.735 -4.920 -3.625 1.00 . A A . 21 HMR HC2 1 1
6 2873 1 1 21 . HD2 H 4.036 -9.452 -3.047 1.00 . A A . 21 HMR HD2 1 1
6 2874 1 1 21 . HD3 H 2.438 -9.675 -2.334 1.00 . A A . 21 HMR HD3 1 1
6 2875 1 1 21 . HE H 4.273 -9.570 -0.246 1.00 . A A . 21 HMR HE 1 1
6 2876 1 1 21 . HG2 H 2.800 -7.683 -0.935 1.00 . A A . 21 HMR HG2 1 1
6 2877 1 1 21 . HG3 H 4.366 -7.440 -1.712 1.00 . A A . 21 HMR HG3 1 1
6 2878 1 1 21 . HH1 H 3.530 -11.638 -2.975 1.00 . A A . 21 HMR HH1 1 1
6 2879 1 1 21 . HH2 H 4.112 -13.076 -2.199 1.00 . A A . 21 HMR HH2 1 1
6 2880 1 1 21 . HH21 H 4.969 -12.970 -0.063 1.00 . A A . 21 HMR HH21 1 1
6 2881 1 1 21 . HH22 H 5.030 -11.449 0.771 1.00 . A A . 21 HMR HH22 1 1
6 2882 1 1 21 . N N 1.842 -5.363 -1.449 1.00 . A A . 21 HMR N 1 1
6 2883 1 1 21 . NE N 4.030 -10.069 -1.061 1.00 . A A . 21 HMR NE 1 1
6 2884 1 1 21 . NH1 N 3.941 -12.087 -2.178 1.00 . A A . 21 HMR NH1 1 1
6 2885 1 1 21 . NH2 N 4.795 -11.981 -0.047 1.00 . A A . 21 HMR NH2 1 1
6 2886 1 1 21 . O O 3.198 -3.362 -4.966 1.00 . A A . 21 HMR O 1 1
6 2887 1 1 22 HIS C C 2.890 -0.663 -3.010 1.00 . A A . 22 HIS C 1 1
6 2888 1 1 22 HIS CA C 1.775 -1.198 -3.908 1.00 . A A . 22 HIS CA 1 1
6 2889 1 1 22 HIS CB C 0.476 -0.408 -3.697 1.00 . A A . 22 HIS CB 1 1
6 2890 1 1 22 HIS CD2 C 1.032 1.787 -2.475 1.00 . A A . 22 HIS CD2 1 1
6 2891 1 1 22 HIS CE1 C 0.851 3.198 -4.118 1.00 . A A . 22 HIS CE1 1 1
6 2892 1 1 22 HIS CG C 0.674 1.069 -3.564 1.00 . A A . 22 HIS CG 1 1
6 2893 1 1 22 HIS H H 0.792 -2.851 -3.055 1.00 . A A . 22 HIS H 1 1
6 2894 1 1 22 HIS HA H 2.081 -1.095 -4.936 1.00 . A A . 22 HIS HA 1 1
6 2895 1 1 22 HIS HB2 H -0.179 -0.580 -4.536 1.00 . A A . 22 HIS HB2 1 1
6 2896 1 1 22 HIS HB3 H -0.004 -0.761 -2.795 1.00 . A A . 22 HIS HB3 1 1
6 2897 1 1 22 HIS HD1 H 0.297 1.772 -5.534 1.00 . A A . 22 HIS HD1 1 1
6 2898 1 1 22 HIS HD2 H 1.192 1.403 -1.478 1.00 . A A . 22 HIS HD2 1 1
6 2899 1 1 22 HIS HE1 H 0.848 4.115 -4.689 1.00 . A A . 22 HIS HE1 1 1
6 2900 1 1 22 HIS N N 1.526 -2.602 -3.661 1.00 . A A . 22 HIS N 1 1
6 2901 1 1 22 HIS ND1 N 0.553 1.981 -4.607 1.00 . A A . 22 HIS ND1 1 1
6 2902 1 1 22 HIS NE2 N 1.140 3.099 -2.847 1.00 . A A . 22 HIS NE2 1 1
6 2903 1 1 22 HIS O O 3.776 0.045 -3.481 1.00 . A A . 22 HIS O 1 1
6 2904 1 1 23 LYS C C 5.225 -0.796 -1.205 1.00 . A A . 23 LYS C 1 1
6 2905 1 1 23 LYS CA C 3.806 -0.469 -0.754 1.00 . A A . 23 LYS CA 1 1
6 2906 1 1 23 LYS CB C 3.545 -1.053 0.639 1.00 . A A . 23 LYS CB 1 1
6 2907 1 1 23 LYS CD C 3.606 1.021 2.082 1.00 . A A . 23 LYS CD 1 1
6 2908 1 1 23 LYS CE C 2.179 0.847 2.588 1.00 . A A . 23 LYS CE 1 1
6 2909 1 1 23 LYS CG C 4.262 -0.319 1.765 1.00 . A A . 23 LYS CG 1 1
6 2910 1 1 23 LYS H H 2.122 -1.587 -1.404 1.00 . A A . 23 LYS H 1 1
6 2911 1 1 23 LYS HA H 3.694 0.603 -0.715 1.00 . A A . 23 LYS HA 1 1
6 2912 1 1 23 LYS HB2 H 2.485 -1.022 0.835 1.00 . A A . 23 LYS HB2 1 1
6 2913 1 1 23 LYS HB3 H 3.872 -2.083 0.647 1.00 . A A . 23 LYS HB3 1 1
6 2914 1 1 23 LYS HD2 H 4.186 1.526 2.842 1.00 . A A . 23 LYS HD2 1 1
6 2915 1 1 23 LYS HD3 H 3.589 1.622 1.186 1.00 . A A . 23 LYS HD3 1 1
6 2916 1 1 23 LYS HE2 H 1.577 0.429 1.796 1.00 . A A . 23 LYS HE2 1 1
6 2917 1 1 23 LYS HE3 H 2.191 0.167 3.427 1.00 . A A . 23 LYS HE3 1 1
6 2918 1 1 23 LYS HG2 H 4.245 -0.935 2.652 1.00 . A A . 23 LYS HG2 1 1
6 2919 1 1 23 LYS HG3 H 5.285 -0.143 1.468 1.00 . A A . 23 LYS HG3 1 1
6 2920 1 1 23 LYS HZ1 H 1.526 2.799 2.220 1.00 . A A . 23 LYS HZ1 1 1
6 2921 1 1 23 LYS HZ2 H 2.153 2.564 3.774 1.00 . A A . 23 LYS HZ2 1 1
6 2922 1 1 23 LYS HZ3 H 0.618 1.978 3.387 1.00 . A A . 23 LYS HZ3 1 1
6 2923 1 1 23 LYS N N 2.835 -0.988 -1.719 1.00 . A A . 23 LYS N 1 1
6 2924 1 1 23 LYS NZ N 1.577 2.135 3.020 1.00 . A A . 23 LYS NZ 1 1
6 2925 1 1 23 LYS O O 6.120 0.057 -1.163 1.00 . A A . 23 LYS O 1 1
6 2926 1 1 24 . C C 7.310 -1.081 -4.196 1.00 . A A . 24 HMR C 1 1
6 2927 1 1 24 . CA C 6.714 -2.444 -2.127 1.00 . A A . 24 HMR CA 1 1
6 2928 1 1 24 . CB C 6.945 -3.908 -1.717 1.00 . A A . 24 HMR CB 1 1
6 2929 1 1 24 . CD C 8.492 -5.885 -1.609 1.00 . A A . 24 HMR CD 1 1
6 2930 1 1 24 . CG C 8.339 -4.430 -2.026 1.00 . A A . 24 HMR CG 1 1
6 2931 1 1 24 . CH2 C 6.765 -2.382 -3.657 1.00 . A A . 24 HMR CH2 1 1
6 2932 1 1 24 . CZ C 10.318 -7.539 -1.411 1.00 . A A . 24 HMR CZ 1 1
6 2933 1 1 24 . H H 4.678 -2.674 -1.632 1.00 . A A . 24 HMR H 1 1
6 2934 1 1 24 . HA H 7.452 -1.747 -1.684 1.00 . A A . 24 HMR HA 1 1
6 2935 1 1 24 . HB2 H 6.230 -4.528 -2.237 1.00 . A A . 24 HMR HB2 1 1
6 2936 1 1 24 . HB3 H 6.780 -3.998 -0.656 1.00 . A A . 24 HMR HB3 1 1
6 2937 1 1 24 . HC1 H 7.391 -3.180 -4.016 1.00 . A A . 24 HMR HC1 1 1
6 2938 1 1 24 . HC2 H 5.766 -2.516 -4.045 1.00 . A A . 24 HMR HC2 1 1
6 2939 1 1 24 . HD2 H 7.771 -6.479 -2.150 1.00 . A A . 24 HMR HD2 1 1
6 2940 1 1 24 . HD3 H 8.300 -5.964 -0.549 1.00 . A A . 24 HMR HD3 1 1
6 2941 1 1 24 . HE H 10.412 -5.844 -2.465 1.00 . A A . 24 HMR HE 1 1
6 2942 1 1 24 . HG2 H 9.062 -3.833 -1.490 1.00 . A A . 24 HMR HG2 1 1
6 2943 1 1 24 . HG3 H 8.519 -4.351 -3.086 1.00 . A A . 24 HMR HG3 1 1
6 2944 1 1 24 . HH1 H 12.119 -7.327 -2.315 1.00 . A A . 24 HMR HH1 1 1
6 2945 1 1 24 . HH2 H 11.929 -8.769 -1.369 1.00 . A A . 24 HMR HH2 1 1
6 2946 1 1 24 . HH21 H 8.639 -8.034 -0.389 1.00 . A A . 24 HMR HH21 1 1
6 2947 1 1 24 . HH22 H 9.939 -9.174 -0.268 1.00 . A A . 24 HMR HH22 1 1
6 2948 1 1 24 . N N 5.425 -2.029 -1.646 1.00 . A A . 24 HMR N 1 1
6 2949 1 1 24 . NE N 9.835 -6.393 -1.887 1.00 . A A . 24 HMR NE 1 1
6 2950 1 1 24 . NH1 N 11.553 -7.909 -1.722 1.00 . A A . 24 HMR NH1 1 1
6 2951 1 1 24 . NH2 N 9.572 -8.310 -0.626 1.00 . A A . 24 HMR NH2 1 1
6 2952 1 1 24 . O O 8.511 -0.932 -4.426 1.00 . A A . 24 HMR O 1 1
6 2953 1 1 25 THR C C 7.606 2.010 -4.044 1.00 . A A . 25 THR C 1 1
6 2954 1 1 25 THR CA C 6.735 1.164 -4.970 1.00 . A A . 25 THR CA 1 1
6 2955 1 1 25 THR CB C 5.447 1.938 -5.307 1.00 . A A . 25 THR CB 1 1
6 2956 1 1 25 THR CG2 C 5.757 3.276 -5.961 1.00 . A A . 25 THR CG2 1 1
6 2957 1 1 25 THR H H 5.479 -0.290 -4.108 1.00 . A A . 25 THR H 1 1
6 2958 1 1 25 THR HA H 7.270 0.985 -5.888 1.00 . A A . 25 THR HA 1 1
6 2959 1 1 25 THR HB H 4.907 2.121 -4.389 1.00 . A A . 25 THR HB 1 1
6 2960 1 1 25 THR HG1 H 3.713 1.469 -6.130 1.00 . A A . 25 THR HG1 1 1
6 2961 1 1 25 THR HG21 H 4.833 3.797 -6.169 1.00 . A A . 25 THR HG21 1 1
6 2962 1 1 25 THR HG22 H 6.292 3.110 -6.885 1.00 . A A . 25 THR HG22 1 1
6 2963 1 1 25 THR HG23 H 6.364 3.870 -5.295 1.00 . A A . 25 THR HG23 1 1
6 2964 1 1 25 THR N N 6.408 -0.123 -4.382 1.00 . A A . 25 THR N 1 1
6 2965 1 1 25 THR O O 8.624 2.559 -4.468 1.00 . A A . 25 THR O 1 1
6 2966 1 1 25 THR OG1 O 4.625 1.152 -6.180 1.00 . A A . 25 THR OG1 1 1
6 2967 1 1 26 HIS C C 9.111 2.192 -1.241 1.00 . A A . 26 HIS C 1 1
6 2968 1 1 26 HIS CA C 7.939 2.951 -1.840 1.00 . A A . 26 HIS CA 1 1
6 2969 1 1 26 HIS CB C 7.024 3.440 -0.719 1.00 . A A . 26 HIS CB 1 1
6 2970 1 1 26 HIS CD2 C 4.484 3.709 -1.037 1.00 . A A . 26 HIS CD2 1 1
6 2971 1 1 26 HIS CE1 C 4.421 5.621 -2.076 1.00 . A A . 26 HIS CE1 1 1
6 2972 1 1 26 HIS CG C 5.769 4.108 -1.186 1.00 . A A . 26 HIS CG 1 1
6 2973 1 1 26 HIS H H 6.450 1.575 -2.466 1.00 . A A . 26 HIS H 1 1
6 2974 1 1 26 HIS HA H 8.318 3.804 -2.385 1.00 . A A . 26 HIS HA 1 1
6 2975 1 1 26 HIS HB2 H 6.737 2.596 -0.110 1.00 . A A . 26 HIS HB2 1 1
6 2976 1 1 26 HIS HB3 H 7.566 4.148 -0.107 1.00 . A A . 26 HIS HB3 1 1
6 2977 1 1 26 HIS HD1 H 6.491 5.883 -2.113 1.00 . A A . 26 HIS HD1 1 1
6 2978 1 1 26 HIS HD2 H 4.147 2.800 -0.569 1.00 . A A . 26 HIS HD2 1 1
6 2979 1 1 26 HIS HE1 H 4.058 6.507 -2.572 1.00 . A A . 26 HIS HE1 1 1
6 2980 1 1 26 HIS N N 7.220 2.103 -2.779 1.00 . A A . 26 HIS N 1 1
6 2981 1 1 26 HIS ND1 N 5.719 5.329 -1.855 1.00 . A A . 26 HIS ND1 1 1
6 2982 1 1 26 HIS NE2 N 3.669 4.668 -1.594 1.00 . A A . 26 HIS NE2 1 1
6 2983 1 1 26 HIS O O 10.154 2.768 -0.942 1.00 . A A . 26 HIS O 1 1
6 2984 1 1 27 . C C 12.038 -0.968 -1.546 1.00 . A A . 27 B3T C 1 1
6 2985 1 1 27 . CA C 10.524 -0.892 -1.568 1.00 . A A . 27 B3T CA 1 1
6 2986 1 1 27 . CB C 9.974 0.052 -0.499 1.00 . A A . 27 B3T CB 1 1
6 2987 1 1 27 . CD2 C 9.061 0.177 1.847 1.00 . A A . 27 B3T CD2 1 1
6 2988 1 1 27 . CG C 9.457 -0.750 0.708 1.00 . A A . 27 B3T CG 1 1
6 2989 1 1 27 . H1D2 H 9.918 0.754 2.158 1.00 . A A . 27 B3T H1D2 1 1
6 2990 1 1 27 . H2D2 H 8.699 -0.408 2.679 1.00 . A A . 27 B3T H2D2 1 1
6 2991 1 1 27 . H3D2 H 8.281 0.845 1.511 1.00 . A A . 27 B3T H3D2 1 1
6 2992 1 1 27 . HA H 10.213 -0.544 -2.541 1.00 . A A . 27 B3T HA 1 1
6 2993 1 1 27 . HAA H 10.128 -1.882 -1.400 1.00 . A A . 27 B3T HAA 1 1
6 2994 1 1 27 . HB H 10.770 0.701 -0.161 1.00 . A A . 27 B3T HB 1 1
6 2995 1 1 27 . HG H 10.243 -1.405 1.052 1.00 . A A . 27 B3T HG 1 1
6 2996 1 1 27 . HN H 8.062 0.490 -1.293 1.00 . A A . 27 B3T HN 1 1
6 2997 1 1 27 . HOD1 H 7.573 -0.955 0.172 1.00 . A A . 27 B3T HOD1 1 1
6 2998 1 1 27 . N N 8.926 0.892 -1.056 1.00 . A A . 27 B3T N 1 1
6 2999 1 1 27 . O O 12.718 0.057 -1.455 1.00 . A A . 27 B3T O 1 1
6 3000 1 1 27 . OD1 O 8.328 -1.534 0.320 1.00 . A A . 27 B3T OD1 1 1
6 3001 1 1 28 GLY C C 14.532 -2.232 -0.155 1.00 . A A . 28 GLY C 1 1
6 3002 1 1 28 GLY CA C 14.009 -2.370 -1.569 1.00 . A A . 28 GLY CA 1 1
6 3003 1 1 28 GLY H H 11.987 -2.956 -1.762 1.00 . A A . 28 GLY H 1 1
6 3004 1 1 28 GLY HA2 H 14.252 -3.355 -1.937 1.00 . A A . 28 GLY HA2 1 1
6 3005 1 1 28 GLY HA3 H 14.490 -1.634 -2.193 1.00 . A A . 28 GLY HA3 1 1
6 3006 1 1 28 GLY N N 12.574 -2.181 -1.636 1.00 . A A . 28 GLY N 1 1
6 3007 1 1 28 GLY O O 14.969 -3.210 0.453 1.00 . A A . 28 GLY O 1 1
6 3008 1 1 29 GLU C C 13.827 -1.177 2.723 1.00 . A A . 29 GLU C 1 1
6 3009 1 1 29 GLU CA C 14.899 -0.743 1.732 1.00 . A A . 29 GLU CA 1 1
6 3010 1 1 29 GLU CB C 15.204 0.748 1.905 1.00 . A A . 29 GLU CB 1 1
6 3011 1 1 29 GLU CD C 17.579 0.500 1.104 1.00 . A A . 29 GLU CD 1 1
6 3012 1 1 29 GLU CG C 16.280 1.260 0.963 1.00 . A A . 29 GLU CG 1 1
6 3013 1 1 29 GLU H H 14.104 -0.284 -0.171 1.00 . A A . 29 GLU H 1 1
6 3014 1 1 29 GLU HA H 15.798 -1.311 1.916 1.00 . A A . 29 GLU HA 1 1
6 3015 1 1 29 GLU HB2 H 14.301 1.312 1.728 1.00 . A A . 29 GLU HB2 1 1
6 3016 1 1 29 GLU HB3 H 15.531 0.923 2.919 1.00 . A A . 29 GLU HB3 1 1
6 3017 1 1 29 GLU HG2 H 15.931 1.161 -0.054 1.00 . A A . 29 GLU HG2 1 1
6 3018 1 1 29 GLU HG3 H 16.464 2.302 1.181 1.00 . A A . 29 GLU HG3 1 1
6 3019 1 1 29 GLU N N 14.467 -1.019 0.373 1.00 . A A . 29 GLU N 1 1
6 3020 1 1 29 GLU O O 13.073 -0.354 3.245 1.00 . A A . 29 GLU O 1 1
6 3021 1 1 29 GLU OE1 O 18.346 0.792 2.043 1.00 . A A . 29 GLU OE1 1 1
6 3022 1 1 29 GLU OE2 O 17.839 -0.399 0.278 1.00 . A A . 29 GLU OE2 1 1
6 3023 1 1 30 LYS C C 13.323 -4.265 4.552 1.00 . A A . 30 LYS C 1 1
6 3024 1 1 30 LYS CA C 12.763 -3.026 3.867 1.00 . A A . 30 LYS CA 1 1
6 3025 1 1 30 LYS CB C 11.477 -3.367 3.105 1.00 . A A . 30 LYS CB 1 1
6 3026 1 1 30 LYS CD C 9.927 -2.585 4.921 1.00 . A A . 30 LYS CD 1 1
6 3027 1 1 30 LYS CE C 8.729 -2.929 5.785 1.00 . A A . 30 LYS CE 1 1
6 3028 1 1 30 LYS CG C 10.307 -3.736 4.006 1.00 . A A . 30 LYS CG 1 1
6 3029 1 1 30 LYS H H 14.388 -3.081 2.520 1.00 . A A . 30 LYS H 1 1
6 3030 1 1 30 LYS HA H 12.544 -2.280 4.617 1.00 . A A . 30 LYS HA 1 1
6 3031 1 1 30 LYS HB2 H 11.187 -2.513 2.513 1.00 . A A . 30 LYS HB2 1 1
6 3032 1 1 30 LYS HB3 H 11.673 -4.200 2.446 1.00 . A A . 30 LYS HB3 1 1
6 3033 1 1 30 LYS HD2 H 10.764 -2.356 5.564 1.00 . A A . 30 LYS HD2 1 1
6 3034 1 1 30 LYS HD3 H 9.687 -1.721 4.317 1.00 . A A . 30 LYS HD3 1 1
6 3035 1 1 30 LYS HE2 H 7.886 -3.139 5.142 1.00 . A A . 30 LYS HE2 1 1
6 3036 1 1 30 LYS HE3 H 8.963 -3.806 6.371 1.00 . A A . 30 LYS HE3 1 1
6 3037 1 1 30 LYS HG2 H 9.456 -3.988 3.391 1.00 . A A . 30 LYS HG2 1 1
6 3038 1 1 30 LYS HG3 H 10.584 -4.589 4.610 1.00 . A A . 30 LYS HG3 1 1
6 3039 1 1 30 LYS HZ1 H 7.555 -2.080 7.284 1.00 . A A . 30 LYS HZ1 1 1
6 3040 1 1 30 LYS HZ2 H 8.134 -0.965 6.153 1.00 . A A . 30 LYS HZ2 1 1
6 3041 1 1 30 LYS HZ3 H 9.176 -1.597 7.324 1.00 . A A . 30 LYS HZ3 1 1
6 3042 1 1 30 LYS N N 13.753 -2.475 2.962 1.00 . A A . 30 LYS N 1 1
6 3043 1 1 30 LYS NZ N 8.373 -1.816 6.701 1.00 . A A . 30 LYS NZ 1 1
6 3044 1 1 30 LYS O O 13.629 -4.243 5.742 1.00 . A A . 30 LYS O 1 1
6 3045 1 1 31 NH2 HN1 H 13.202 -5.287 2.856 1.00 . A A . 31 NH2 HN1 1 1
6 3046 1 1 31 NH2 HN2 H 13.828 -6.154 4.214 1.00 . A A . 31 NH2 HN2 1 1
6 3047 1 1 31 NH2 N N 13.464 -5.342 3.799 1.00 . A A . 31 NH2 N 1 1
6 3048 2 2 1 ZN ZN ZN 1.674 4.573 -1.626 1.00 . B A . 101 ZN ZN 1 1
7 3049 1 1 1 PRO C C -9.385 0.376 3.591 1.00 . A A . 1 PRO C 1 1
7 3050 1 1 1 PRO CA C -10.670 -0.061 2.906 1.00 . A A . 1 PRO CA 1 1
7 3051 1 1 1 PRO CB C -11.136 1.008 1.930 1.00 . A A . 1 PRO CB 1 1
7 3052 1 1 1 PRO CD C -12.949 0.316 3.346 1.00 . A A . 1 PRO CD 1 1
7 3053 1 1 1 PRO CG C -12.440 1.457 2.494 1.00 . A A . 1 PRO CG 1 1
7 3054 1 1 1 PRO H2 H -11.369 0.099 4.793 1.00 . A A . 1 PRO H2 1 1
7 3055 1 1 1 PRO H3 H -11.712 -1.328 4.075 1.00 . A A . 1 PRO H3 1 1
7 3056 1 1 1 PRO HA H -10.489 -0.983 2.373 1.00 . A A . 1 PRO HA 1 1
7 3057 1 1 1 PRO HB2 H -10.416 1.814 1.897 1.00 . A A . 1 PRO HB2 1 1
7 3058 1 1 1 PRO HB3 H -11.259 0.582 0.947 1.00 . A A . 1 PRO HB3 1 1
7 3059 1 1 1 PRO HD2 H -13.584 0.690 4.135 1.00 . A A . 1 PRO HD2 1 1
7 3060 1 1 1 PRO HD3 H -13.487 -0.396 2.738 1.00 . A A . 1 PRO HD3 1 1
7 3061 1 1 1 PRO HG2 H -12.294 2.340 3.099 1.00 . A A . 1 PRO HG2 1 1
7 3062 1 1 1 PRO HG3 H -13.132 1.661 1.692 1.00 . A A . 1 PRO HG3 1 1
7 3063 1 1 1 PRO N N -11.732 -0.295 3.906 1.00 . A A . 1 PRO N 1 1
7 3064 1 1 1 PRO O O -9.415 0.863 4.718 1.00 . A A . 1 PRO O 1 1
7 3065 1 1 2 PHE C C -6.343 1.659 2.606 1.00 . A A . 2 PHE C 1 1
7 3066 1 1 2 PHE CA C -6.969 0.565 3.460 1.00 . A A . 2 PHE CA 1 1
7 3067 1 1 2 PHE CB C -6.045 -0.653 3.505 1.00 . A A . 2 PHE CB 1 1
7 3068 1 1 2 PHE CD1 C -7.173 -2.893 3.449 1.00 . A A . 2 PHE CD1 1 1
7 3069 1 1 2 PHE CD2 C -6.716 -1.905 5.570 1.00 . A A . 2 PHE CD2 1 1
7 3070 1 1 2 PHE CE1 C -7.742 -3.983 4.075 1.00 . A A . 2 PHE CE1 1 1
7 3071 1 1 2 PHE CE2 C -7.283 -2.994 6.202 1.00 . A A . 2 PHE CE2 1 1
7 3072 1 1 2 PHE CG C -6.654 -1.842 4.188 1.00 . A A . 2 PHE CG 1 1
7 3073 1 1 2 PHE CZ C -7.796 -4.035 5.453 1.00 . A A . 2 PHE CZ 1 1
7 3074 1 1 2 PHE H H -8.306 -0.172 1.998 1.00 . A A . 2 PHE H 1 1
7 3075 1 1 2 PHE HA H -7.123 0.937 4.462 1.00 . A A . 2 PHE HA 1 1
7 3076 1 1 2 PHE HB2 H -5.794 -0.943 2.494 1.00 . A A . 2 PHE HB2 1 1
7 3077 1 1 2 PHE HB3 H -5.141 -0.392 4.035 1.00 . A A . 2 PHE HB3 1 1
7 3078 1 1 2 PHE HD1 H -7.129 -2.856 2.369 1.00 . A A . 2 PHE HD1 1 1
7 3079 1 1 2 PHE HD2 H -6.314 -1.091 6.154 1.00 . A A . 2 PHE HD2 1 1
7 3080 1 1 2 PHE HE1 H -8.142 -4.793 3.487 1.00 . A A . 2 PHE HE1 1 1
7 3081 1 1 2 PHE HE2 H -7.324 -3.032 7.281 1.00 . A A . 2 PHE HE2 1 1
7 3082 1 1 2 PHE HZ H -8.242 -4.886 5.945 1.00 . A A . 2 PHE HZ 1 1
7 3083 1 1 2 PHE N N -8.264 0.202 2.908 1.00 . A A . 2 PHE N 1 1
7 3084 1 1 2 PHE O O -6.310 1.539 1.385 1.00 . A A . 2 PHE O 1 1
7 3085 1 1 3 . C C -3.795 4.064 2.738 1.00 . A A . 3 9KK C 1 1
7 3086 1 1 3 . CA C -5.270 3.839 2.432 1.00 . A A . 3 9KK CA 1 1
7 3087 1 1 3 . CB C -6.098 5.065 2.825 1.00 . A A . 3 9KK CB 1 1
7 3088 1 1 3 . CD C -6.634 7.484 2.397 1.00 . A A . 3 9KK CD 1 1
7 3089 1 1 3 . CE C -6.224 8.720 1.623 1.00 . A A . 3 9KK CE 1 1
7 3090 1 1 3 . CG C -5.701 6.327 2.077 1.00 . A A . 3 9KK CG 1 1
7 3091 1 1 3 . CM C -5.880 2.833 4.690 1.00 . A A . 3 9KK CM 1 1
7 3092 1 1 3 . HA H -5.381 3.659 1.372 1.00 . A A . 3 9KK HA 1 1
7 3093 1 1 3 . HB2 H -5.974 5.244 3.881 1.00 . A A . 3 9KK HB2 1 1
7 3094 1 1 3 . HB3 H -7.139 4.862 2.621 1.00 . A A . 3 9KK HB3 1 1
7 3095 1 1 3 . HD2 H -6.587 7.704 3.453 1.00 . A A . 3 9KK HD2 1 1
7 3096 1 1 3 . HD3 H -7.645 7.220 2.118 1.00 . A A . 3 9KK HD3 1 1
7 3097 1 1 3 . HE1 H -6.896 9.531 1.860 1.00 . A A . 3 9KK HE1 1 1
7 3098 1 1 3 . HE2 H -6.270 8.512 0.564 1.00 . A A . 3 9KK HE2 1 1
7 3099 1 1 3 . HE3 H -5.216 8.996 1.894 1.00 . A A . 3 9KK HE3 1 1
7 3100 1 1 3 . HG2 H -5.732 6.131 1.017 1.00 . A A . 3 9KK HG2 1 1
7 3101 1 1 3 . HG3 H -4.695 6.599 2.364 1.00 . A A . 3 9KK HG3 1 1
7 3102 1 1 3 . HM1 H -6.887 3.033 5.019 1.00 . A A . 3 9KK HM1 1 1
7 3103 1 1 3 . HM2 H -5.230 3.635 5.011 1.00 . A A . 3 9KK HM2 1 1
7 3104 1 1 3 . HM3 H -5.540 1.902 5.115 1.00 . A A . 3 9KK HM3 1 1
7 3105 1 1 3 . N N -5.851 2.743 3.215 1.00 . A A . 3 9KK N 1 1
7 3106 1 1 3 . O O -3.411 4.319 3.880 1.00 . A A . 3 9KK O 1 1
7 3107 1 1 4 CYS C C -1.277 5.671 2.092 1.00 . A A . 4 CYS C 1 1
7 3108 1 1 4 CYS CA C -1.547 4.195 1.841 1.00 . A A . 4 CYS CA 1 1
7 3109 1 1 4 CYS CB C -0.803 3.732 0.588 1.00 . A A . 4 CYS CB 1 1
7 3110 1 1 4 CYS H H -3.344 3.758 0.819 1.00 . A A . 4 CYS H 1 1
7 3111 1 1 4 CYS HA H -1.201 3.625 2.690 1.00 . A A . 4 CYS HA 1 1
7 3112 1 1 4 CYS HB2 H -0.962 2.672 0.452 1.00 . A A . 4 CYS HB2 1 1
7 3113 1 1 4 CYS HB3 H -1.193 4.260 -0.270 1.00 . A A . 4 CYS HB3 1 1
7 3114 1 1 4 CYS N N -2.973 3.970 1.706 1.00 . A A . 4 CYS N 1 1
7 3115 1 1 4 CYS O O -1.237 6.473 1.159 1.00 . A A . 4 CYS O 1 1
7 3116 1 1 4 CYS SG S 0.982 4.017 0.650 1.00 . A A . 4 CYS SG 1 1
7 3117 1 1 5 THR C C 0.633 7.696 3.813 1.00 . A A . 5 THR C 1 1
7 3118 1 1 5 THR CA C -0.860 7.402 3.729 1.00 . A A . 5 THR CA 1 1
7 3119 1 1 5 THR CB C -1.542 7.729 5.072 1.00 . A A . 5 THR CB 1 1
7 3120 1 1 5 THR CG2 C -3.055 7.692 4.929 1.00 . A A . 5 THR CG2 1 1
7 3121 1 1 5 THR H H -1.099 5.332 4.048 1.00 . A A . 5 THR H 1 1
7 3122 1 1 5 THR HA H -1.298 8.028 2.965 1.00 . A A . 5 THR HA 1 1
7 3123 1 1 5 THR HB H -1.249 8.724 5.378 1.00 . A A . 5 THR HB 1 1
7 3124 1 1 5 THR HG1 H -1.575 7.004 6.909 1.00 . A A . 5 THR HG1 1 1
7 3125 1 1 5 THR HG21 H -3.361 6.707 4.610 1.00 . A A . 5 THR HG21 1 1
7 3126 1 1 5 THR HG22 H -3.366 8.420 4.195 1.00 . A A . 5 THR HG22 1 1
7 3127 1 1 5 THR HG23 H -3.512 7.922 5.880 1.00 . A A . 5 THR HG23 1 1
7 3128 1 1 5 THR N N -1.089 6.021 3.351 1.00 . A A . 5 THR N 1 1
7 3129 1 1 5 THR O O 1.092 8.413 4.703 1.00 . A A . 5 THR O 1 1
7 3130 1 1 5 THR OG1 O -1.134 6.787 6.076 1.00 . A A . 5 THR OG1 1 1
7 3131 1 1 6 TRP C C 3.102 8.799 2.483 1.00 . A A . 6 TRP C 1 1
7 3132 1 1 6 TRP CA C 2.816 7.337 2.798 1.00 . A A . 6 TRP CA 1 1
7 3133 1 1 6 TRP CB C 3.409 6.432 1.711 1.00 . A A . 6 TRP CB 1 1
7 3134 1 1 6 TRP CD1 C 5.775 7.179 1.074 1.00 . A A . 6 TRP CD1 1 1
7 3135 1 1 6 TRP CD2 C 5.700 5.385 2.407 1.00 . A A . 6 TRP CD2 1 1
7 3136 1 1 6 TRP CE2 C 7.046 5.683 2.135 1.00 . A A . 6 TRP CE2 1 1
7 3137 1 1 6 TRP CE3 C 5.403 4.292 3.227 1.00 . A A . 6 TRP CE3 1 1
7 3138 1 1 6 TRP CG C 4.903 6.355 1.724 1.00 . A A . 6 TRP CG 1 1
7 3139 1 1 6 TRP CH2 C 7.775 3.867 3.454 1.00 . A A . 6 TRP CH2 1 1
7 3140 1 1 6 TRP CZ2 C 8.095 4.928 2.653 1.00 . A A . 6 TRP CZ2 1 1
7 3141 1 1 6 TRP CZ3 C 6.445 3.546 3.741 1.00 . A A . 6 TRP CZ3 1 1
7 3142 1 1 6 TRP H H 0.954 6.540 2.222 1.00 . A A . 6 TRP H 1 1
7 3143 1 1 6 TRP HA H 3.255 7.085 3.752 1.00 . A A . 6 TRP HA 1 1
7 3144 1 1 6 TRP HB2 H 3.025 5.433 1.838 1.00 . A A . 6 TRP HB2 1 1
7 3145 1 1 6 TRP HB3 H 3.103 6.803 0.745 1.00 . A A . 6 TRP HB3 1 1
7 3146 1 1 6 TRP HD1 H 5.478 8.019 0.464 1.00 . A A . 6 TRP HD1 1 1
7 3147 1 1 6 TRP HE1 H 7.874 7.218 0.965 1.00 . A A . 6 TRP HE1 1 1
7 3148 1 1 6 TRP HE3 H 4.383 4.029 3.460 1.00 . A A . 6 TRP HE3 1 1
7 3149 1 1 6 TRP HH2 H 8.556 3.255 3.880 1.00 . A A . 6 TRP HH2 1 1
7 3150 1 1 6 TRP HZ2 H 9.126 5.162 2.441 1.00 . A A . 6 TRP HZ2 1 1
7 3151 1 1 6 TRP HZ3 H 6.237 2.701 4.378 1.00 . A A . 6 TRP HZ3 1 1
7 3152 1 1 6 TRP N N 1.382 7.123 2.880 1.00 . A A . 6 TRP N 1 1
7 3153 1 1 6 TRP NE1 N 7.067 6.784 1.318 1.00 . A A . 6 TRP NE1 1 1
7 3154 1 1 6 TRP O O 2.270 9.476 1.875 1.00 . A A . 6 TRP O 1 1
7 3155 1 1 7 ABA C C 4.686 10.925 1.148 1.00 . A A . 7 AIB C 1 1
7 3156 1 1 7 ABA CA C 4.699 10.649 2.660 1.00 . A A . 7 AIB CA 1 1
7 3157 1 1 7 ABA H H 4.847 8.682 3.431 1.00 . A A . 7 AIB H 1 1
7 3158 1 1 7 ABA N N 4.262 9.274 2.916 1.00 . A A . 7 AIB N 1 1
7 3159 1 1 7 ABA O O 5.571 10.465 0.420 1.00 . A A . 7 AIB O 1 1
7 3160 1 1 8 GLY C C 2.722 11.051 -1.514 1.00 . A A . 8 GLY C 1 1
7 3161 1 1 8 GLY CA C 3.602 12.003 -0.726 1.00 . A A . 8 GLY CA 1 1
7 3162 1 1 8 GLY H H 2.982 11.964 1.295 1.00 . A A . 8 GLY H 1 1
7 3163 1 1 8 GLY HA2 H 3.200 13.000 -0.815 1.00 . A A . 8 GLY HA2 1 1
7 3164 1 1 8 GLY HA3 H 4.598 11.986 -1.147 1.00 . A A . 8 GLY HA3 1 1
7 3165 1 1 8 GLY N N 3.681 11.657 0.680 1.00 . A A . 8 GLY N 1 1
7 3166 1 1 8 GLY O O 2.714 11.073 -2.746 1.00 . A A . 8 GLY O 1 1
7 3167 1 1 9 CYS C C -0.298 9.361 -0.885 1.00 . A A . 9 CYS C 1 1
7 3168 1 1 9 CYS CA C 1.122 9.231 -1.429 1.00 . A A . 9 CYS CA 1 1
7 3169 1 1 9 CYS CB C 1.667 7.830 -1.157 1.00 . A A . 9 CYS CB 1 1
7 3170 1 1 9 CYS H H 2.024 10.255 0.178 1.00 . A A . 9 CYS H 1 1
7 3171 1 1 9 CYS HA H 1.115 9.414 -2.493 1.00 . A A . 9 CYS HA 1 1
7 3172 1 1 9 CYS HB2 H 2.731 7.829 -1.328 1.00 . A A . 9 CYS HB2 1 1
7 3173 1 1 9 CYS HB3 H 1.476 7.582 -0.124 1.00 . A A . 9 CYS HB3 1 1
7 3174 1 1 9 CYS N N 1.986 10.213 -0.802 1.00 . A A . 9 CYS N 1 1
7 3175 1 1 9 CYS O O -0.574 10.233 -0.059 1.00 . A A . 9 CYS O 1 1
7 3176 1 1 9 CYS SG S 0.947 6.521 -2.174 1.00 . A A . 9 CYS SG 1 1
7 3177 1 1 10 GLY C C -3.471 7.627 -1.714 1.00 . A A . 10 GLY C 1 1
7 3178 1 1 10 GLY CA C -2.566 8.523 -0.890 1.00 . A A . 10 GLY CA 1 1
7 3179 1 1 10 GLY H H -0.905 7.814 -1.996 1.00 . A A . 10 GLY H 1 1
7 3180 1 1 10 GLY HA2 H -2.601 8.205 0.141 1.00 . A A . 10 GLY HA2 1 1
7 3181 1 1 10 GLY HA3 H -2.928 9.537 -0.955 1.00 . A A . 10 GLY HA3 1 1
7 3182 1 1 10 GLY N N -1.190 8.490 -1.344 1.00 . A A . 10 GLY N 1 1
7 3183 1 1 10 GLY O O -4.537 8.050 -2.157 1.00 . A A . 10 GLY O 1 1
7 3184 1 1 11 LYS C C -4.704 4.566 -1.823 1.00 . A A . 11 LYS C 1 1
7 3185 1 1 11 LYS CA C -3.818 5.439 -2.716 1.00 . A A . 11 LYS CA 1 1
7 3186 1 1 11 LYS CB C -2.869 4.563 -3.540 1.00 . A A . 11 LYS CB 1 1
7 3187 1 1 11 LYS CD C -3.077 5.808 -5.721 1.00 . A A . 11 LYS CD 1 1
7 3188 1 1 11 LYS CE C -2.331 6.326 -6.944 1.00 . A A . 11 LYS CE 1 1
7 3189 1 1 11 LYS CG C -2.126 5.308 -4.642 1.00 . A A . 11 LYS CG 1 1
7 3190 1 1 11 LYS H H -2.216 6.093 -1.503 1.00 . A A . 11 LYS H 1 1
7 3191 1 1 11 LYS HA H -4.448 6.006 -3.384 1.00 . A A . 11 LYS HA 1 1
7 3192 1 1 11 LYS HB2 H -2.137 4.129 -2.874 1.00 . A A . 11 LYS HB2 1 1
7 3193 1 1 11 LYS HB3 H -3.440 3.767 -3.994 1.00 . A A . 11 LYS HB3 1 1
7 3194 1 1 11 LYS HD2 H -3.719 4.995 -6.022 1.00 . A A . 11 LYS HD2 1 1
7 3195 1 1 11 LYS HD3 H -3.678 6.608 -5.313 1.00 . A A . 11 LYS HD3 1 1
7 3196 1 1 11 LYS HE2 H -1.688 5.543 -7.314 1.00 . A A . 11 LYS HE2 1 1
7 3197 1 1 11 LYS HE3 H -3.052 6.584 -7.707 1.00 . A A . 11 LYS HE3 1 1
7 3198 1 1 11 LYS HG2 H -1.611 6.154 -4.209 1.00 . A A . 11 LYS HG2 1 1
7 3199 1 1 11 LYS HG3 H -1.406 4.640 -5.091 1.00 . A A . 11 LYS HG3 1 1
7 3200 1 1 11 LYS HZ1 H -2.106 8.293 -6.279 1.00 . A A . 11 LYS HZ1 1 1
7 3201 1 1 11 LYS HZ2 H -1.020 7.853 -7.498 1.00 . A A . 11 LYS HZ2 1 1
7 3202 1 1 11 LYS HZ3 H -0.790 7.294 -5.920 1.00 . A A . 11 LYS HZ3 1 1
7 3203 1 1 11 LYS N N -3.052 6.386 -1.914 1.00 . A A . 11 LYS N 1 1
7 3204 1 1 11 LYS NZ N -1.504 7.524 -6.639 1.00 . A A . 11 LYS NZ 1 1
7 3205 1 1 11 LYS O O -4.316 4.235 -0.704 1.00 . A A . 11 LYS O 1 1
7 3206 1 1 12 . C C -7.075 1.968 -2.067 1.00 . A A . 12 MMO C 1 1
7 3207 1 1 12 . CA C -6.817 3.353 -1.474 1.00 . A A . 12 MMO CA 1 1
7 3208 1 1 12 . CB C -8.120 4.157 -1.402 1.00 . A A . 12 MMO CB 1 1
7 3209 1 1 12 . CD C -9.282 6.259 -0.667 1.00 . A A . 12 MMO CD 1 1
7 3210 1 1 12 . CG C -7.978 5.482 -0.672 1.00 . A A . 12 MMO CG 1 1
7 3211 1 1 12 . CN C -6.311 4.569 -3.667 1.00 . A A . 12 MMO CN 1 1
7 3212 1 1 12 . CZ C -11.612 5.858 0.044 1.00 . A A . 12 MMO CZ 1 1
7 3213 1 1 12 . HA H -6.423 3.231 -0.476 1.00 . A A . 12 MMO HA 1 1
7 3214 1 1 12 . HC1 H -5.468 4.464 -4.335 1.00 . A A . 12 MMO HC1 1 1
7 3215 1 1 12 . HC2 H -6.646 5.596 -3.667 1.00 . A A . 12 MMO HC2 1 1
7 3216 1 1 12 . HC3 H -7.111 3.927 -4.000 1.00 . A A . 12 MMO HC3 1 1
7 3217 1 1 12 . HCB1 H -8.863 3.567 -0.886 1.00 . A A . 12 MMO HCB1 1 1
7 3218 1 1 12 . HCB2 H -8.463 4.357 -2.406 1.00 . A A . 12 MMO HCB2 1 1
7 3219 1 1 12 . HCD1 H -9.648 6.322 -1.679 1.00 . A A . 12 MMO HCD1 1 1
7 3220 1 1 12 . HCD2 H -9.089 7.252 -0.293 1.00 . A A . 12 MMO HCD2 1 1
7 3221 1 1 12 . HCG1 H -7.216 6.073 -1.160 1.00 . A A . 12 MMO HCG1 1 1
7 3222 1 1 12 . HCG2 H -7.686 5.287 0.348 1.00 . A A . 12 MMO HCG2 1 1
7 3223 1 1 12 . HE H -9.992 5.024 0.879 1.00 . A A . 12 MMO HE 1 1
7 3224 1 1 12 . HH11 H -13.455 5.445 0.795 1.00 . A A . 12 MMO HH11 1 1
7 3225 1 1 12 . HH12 H -12.127 4.681 1.612 1.00 . A A . 12 MMO HH12 1 1
7 3226 1 1 12 . HH21 H -11.424 7.097 -1.555 1.00 . A A . 12 MMO HH21 1 1
7 3227 1 1 12 . HH22 H -13.049 6.825 -1.010 1.00 . A A . 12 MMO HH22 1 1
7 3228 1 1 12 . N N -5.906 4.178 -2.296 1.00 . A A . 12 MMO N 1 1
7 3229 1 1 12 . NE N -10.303 5.631 0.169 1.00 . A A . 12 MMO NE 1 1
7 3230 1 1 12 . NH1 N -12.465 5.280 0.883 1.00 . A A . 12 MMO NH1 1 1
7 3231 1 1 12 . NH2 N -12.065 6.657 -0.917 1.00 . A A . 12 MMO NH2 1 1
7 3232 1 1 12 . O O -7.363 1.818 -3.255 1.00 . A A . 12 MMO O 1 1
7 3233 1 1 13 PHE C C -8.116 -1.156 -0.760 1.00 . A A . 13 PHE C 1 1
7 3234 1 1 13 PHE CA C -7.099 -0.429 -1.630 1.00 . A A . 13 PHE CA 1 1
7 3235 1 1 13 PHE CB C -5.735 -1.107 -1.520 1.00 . A A . 13 PHE CB 1 1
7 3236 1 1 13 PHE CD1 C -4.488 -0.635 -3.637 1.00 . A A . 13 PHE CD1 1 1
7 3237 1 1 13 PHE CD2 C -3.832 0.511 -1.655 1.00 . A A . 13 PHE CD2 1 1
7 3238 1 1 13 PHE CE1 C -3.496 0.008 -4.343 1.00 . A A . 13 PHE CE1 1 1
7 3239 1 1 13 PHE CE2 C -2.837 1.160 -2.355 1.00 . A A . 13 PHE CE2 1 1
7 3240 1 1 13 PHE CG C -4.667 -0.391 -2.287 1.00 . A A . 13 PHE CG 1 1
7 3241 1 1 13 PHE CZ C -2.714 0.961 -3.713 1.00 . A A . 13 PHE CZ 1 1
7 3242 1 1 13 PHE H H -6.823 1.158 -0.269 1.00 . A A . 13 PHE H 1 1
7 3243 1 1 13 PHE HA H -7.426 -0.450 -2.657 1.00 . A A . 13 PHE HA 1 1
7 3244 1 1 13 PHE HB2 H -5.435 -1.139 -0.483 1.00 . A A . 13 PHE HB2 1 1
7 3245 1 1 13 PHE HB3 H -5.806 -2.112 -1.903 1.00 . A A . 13 PHE HB3 1 1
7 3246 1 1 13 PHE HD1 H -5.135 -1.342 -4.139 1.00 . A A . 13 PHE HD1 1 1
7 3247 1 1 13 PHE HD2 H -3.965 0.707 -0.603 1.00 . A A . 13 PHE HD2 1 1
7 3248 1 1 13 PHE HE1 H -3.368 -0.192 -5.397 1.00 . A A . 13 PHE HE1 1 1
7 3249 1 1 13 PHE HE2 H -2.193 1.862 -1.852 1.00 . A A . 13 PHE HE2 1 1
7 3250 1 1 13 PHE HZ H -1.955 1.489 -4.269 1.00 . A A . 13 PHE HZ 1 1
7 3251 1 1 13 PHE N N -6.981 0.960 -1.215 1.00 . A A . 13 PHE N 1 1
7 3252 1 1 13 PHE O O -8.630 -0.591 0.209 1.00 . A A . 13 PHE O 1 1
7 3253 1 1 14 THR C C -8.752 -4.377 0.340 1.00 . A A . 14 THR C 1 1
7 3254 1 1 14 THR CA C -9.393 -3.186 -0.370 1.00 . A A . 14 THR CA 1 1
7 3255 1 1 14 THR CB C -10.530 -3.676 -1.293 1.00 . A A . 14 THR CB 1 1
7 3256 1 1 14 THR CG2 C -11.447 -2.523 -1.676 1.00 . A A . 14 THR CG2 1 1
7 3257 1 1 14 THR H H -7.973 -2.799 -1.898 1.00 . A A . 14 THR H 1 1
7 3258 1 1 14 THR HA H -9.827 -2.540 0.378 1.00 . A A . 14 THR HA 1 1
7 3259 1 1 14 THR HB H -11.110 -4.414 -0.759 1.00 . A A . 14 THR HB 1 1
7 3260 1 1 14 THR HG1 H -9.034 -4.120 -2.526 1.00 . A A . 14 THR HG1 1 1
7 3261 1 1 14 THR HG21 H -10.873 -1.758 -2.177 1.00 . A A . 14 THR HG21 1 1
7 3262 1 1 14 THR HG22 H -11.898 -2.110 -0.786 1.00 . A A . 14 THR HG22 1 1
7 3263 1 1 14 THR HG23 H -12.222 -2.882 -2.338 1.00 . A A . 14 THR HG23 1 1
7 3264 1 1 14 THR N N -8.414 -2.402 -1.111 1.00 . A A . 14 THR N 1 1
7 3265 1 1 14 THR O O -9.310 -4.912 1.298 1.00 . A A . 14 THR O 1 1
7 3266 1 1 14 THR OG1 O -9.991 -4.278 -2.482 1.00 . A A . 14 THR OG1 1 1
7 3267 1 1 15 ARG C C -5.506 -5.438 1.004 1.00 . A A . 15 ARG C 1 1
7 3268 1 1 15 ARG CA C -6.870 -5.892 0.508 1.00 . A A . 15 ARG CA 1 1
7 3269 1 1 15 ARG CB C -6.707 -7.059 -0.465 1.00 . A A . 15 ARG CB 1 1
7 3270 1 1 15 ARG CD C -7.799 -8.876 -1.809 1.00 . A A . 15 ARG CD 1 1
7 3271 1 1 15 ARG CG C -8.024 -7.672 -0.911 1.00 . A A . 15 ARG CG 1 1
7 3272 1 1 15 ARG CZ C -9.179 -10.725 -2.689 1.00 . A A . 15 ARG CZ 1 1
7 3273 1 1 15 ARG H H -7.196 -4.361 -0.915 1.00 . A A . 15 ARG H 1 1
7 3274 1 1 15 ARG HA H -7.455 -6.218 1.354 1.00 . A A . 15 ARG HA 1 1
7 3275 1 1 15 ARG HB2 H -6.183 -6.708 -1.338 1.00 . A A . 15 ARG HB2 1 1
7 3276 1 1 15 ARG HB3 H -6.119 -7.827 0.012 1.00 . A A . 15 ARG HB3 1 1
7 3277 1 1 15 ARG HD2 H -7.214 -8.569 -2.662 1.00 . A A . 15 ARG HD2 1 1
7 3278 1 1 15 ARG HD3 H -7.254 -9.624 -1.252 1.00 . A A . 15 ARG HD3 1 1
7 3279 1 1 15 ARG HE H -9.843 -8.874 -2.300 1.00 . A A . 15 ARG HE 1 1
7 3280 1 1 15 ARG HG2 H -8.578 -7.985 -0.038 1.00 . A A . 15 ARG HG2 1 1
7 3281 1 1 15 ARG HG3 H -8.591 -6.929 -1.453 1.00 . A A . 15 ARG HG3 1 1
7 3282 1 1 15 ARG HH11 H -7.230 -11.199 -2.387 1.00 . A A . 15 ARG HH11 1 1
7 3283 1 1 15 ARG HH12 H -8.221 -12.486 -2.994 1.00 . A A . 15 ARG HH12 1 1
7 3284 1 1 15 ARG HH21 H -11.154 -10.566 -3.113 1.00 . A A . 15 ARG HH21 1 1
7 3285 1 1 15 ARG HH22 H -10.459 -12.130 -3.400 1.00 . A A . 15 ARG HH22 1 1
7 3286 1 1 15 ARG N N -7.582 -4.792 -0.124 1.00 . A A . 15 ARG N 1 1
7 3287 1 1 15 ARG NE N -9.053 -9.460 -2.282 1.00 . A A . 15 ARG NE 1 1
7 3288 1 1 15 ARG NH1 N -8.126 -11.535 -2.689 1.00 . A A . 15 ARG NH1 1 1
7 3289 1 1 15 ARG NH2 N -10.358 -11.176 -3.102 1.00 . A A . 15 ARG NH2 1 1
7 3290 1 1 15 ARG O O -4.794 -4.692 0.323 1.00 . A A . 15 ARG O 1 1
7 3291 1 1 16 SER C C -2.713 -6.061 2.045 1.00 . A A . 16 SER C 1 1
7 3292 1 1 16 SER CA C -3.901 -5.551 2.845 1.00 . A A . 16 SER CA 1 1
7 3293 1 1 16 SER CB C -3.865 -6.116 4.262 1.00 . A A . 16 SER CB 1 1
7 3294 1 1 16 SER H H -5.776 -6.502 2.671 1.00 . A A . 16 SER H 1 1
7 3295 1 1 16 SER HA H -3.846 -4.475 2.895 1.00 . A A . 16 SER HA 1 1
7 3296 1 1 16 SER HB2 H -3.917 -7.193 4.220 1.00 . A A . 16 SER HB2 1 1
7 3297 1 1 16 SER HB3 H -2.948 -5.815 4.744 1.00 . A A . 16 SER HB3 1 1
7 3298 1 1 16 SER HG H -5.205 -6.292 5.683 1.00 . A A . 16 SER HG 1 1
7 3299 1 1 16 SER N N -5.159 -5.901 2.201 1.00 . A A . 16 SER N 1 1
7 3300 1 1 16 SER O O -1.662 -5.433 2.021 1.00 . A A . 16 SER O 1 1
7 3301 1 1 16 SER OG O -4.961 -5.634 5.022 1.00 . A A . 16 SER OG 1 1
7 3302 1 1 17 . C C -1.970 -6.720 -1.713 1.00 . A A . 17 B3D C 1 1
7 3303 1 1 17 . CA C -2.282 -7.914 -0.859 1.00 . A A . 17 B3D CA 1 1
7 3304 1 1 17 . CB C -1.820 -7.747 0.586 1.00 . A A . 17 B3D CB 1 1
7 3305 1 1 17 . CD C -0.272 -9.770 0.355 1.00 . A A . 17 B3D CD 1 1
7 3306 1 1 17 . CG C -1.438 -9.142 1.107 1.00 . A A . 17 B3D CG 1 1
7 3307 1 1 17 . H H -3.726 -7.687 1.477 1.00 . A A . 17 B3D H 1 1
7 3308 1 1 17 . HA1 H -1.790 -8.774 -1.284 1.00 . A A . 17 B3D HA1 1 1
7 3309 1 1 17 . HA2 H -3.350 -8.070 -0.872 1.00 . A A . 17 B3D HA2 1 1
7 3310 1 1 17 . HB H -0.986 -7.020 0.641 1.00 . A A . 17 B3D HB 1 1
7 3311 1 1 17 . HG2 H -2.293 -9.796 1.017 1.00 . A A . 17 B3D HG2 1 1
7 3312 1 1 17 . HG3 H -1.165 -9.061 2.145 1.00 . A A . 17 B3D HG3 1 1
7 3313 1 1 17 . N N -2.875 -7.204 1.397 1.00 . A A . 17 B3D N 1 1
7 3314 1 1 17 . O O -0.813 -6.456 -2.048 1.00 . A A . 17 B3D O 1 1
7 3315 1 1 17 . OE1 O 0.894 -9.555 0.754 1.00 . A A . 17 B3D OE1 1 1
7 3316 1 1 17 . OE2 O -0.519 -10.506 -0.625 1.00 . A A . 17 B3D OE2 1 1
7 3317 1 1 18 GLU C C -2.037 -3.731 -2.105 1.00 . A A . 18 GLU C 1 1
7 3318 1 1 18 GLU CA C -2.891 -4.757 -2.833 1.00 . A A . 18 GLU CA 1 1
7 3319 1 1 18 GLU CB C -4.261 -4.137 -3.089 1.00 . A A . 18 GLU CB 1 1
7 3320 1 1 18 GLU CD C -6.585 -4.365 -3.986 1.00 . A A . 18 GLU CD 1 1
7 3321 1 1 18 GLU CG C -5.239 -5.033 -3.814 1.00 . A A . 18 GLU CG 1 1
7 3322 1 1 18 GLU H H -3.909 -6.260 -1.761 1.00 . A A . 18 GLU H 1 1
7 3323 1 1 18 GLU HA H -2.429 -5.005 -3.774 1.00 . A A . 18 GLU HA 1 1
7 3324 1 1 18 GLU HB2 H -4.696 -3.870 -2.139 1.00 . A A . 18 GLU HB2 1 1
7 3325 1 1 18 GLU HB3 H -4.126 -3.240 -3.676 1.00 . A A . 18 GLU HB3 1 1
7 3326 1 1 18 GLU HG2 H -4.840 -5.274 -4.788 1.00 . A A . 18 GLU HG2 1 1
7 3327 1 1 18 GLU HG3 H -5.372 -5.940 -3.245 1.00 . A A . 18 GLU HG3 1 1
7 3328 1 1 18 GLU N N -3.018 -5.976 -2.048 1.00 . A A . 18 GLU N 1 1
7 3329 1 1 18 GLU O O -1.108 -3.170 -2.676 1.00 . A A . 18 GLU O 1 1
7 3330 1 1 18 GLU OE1 O -7.380 -4.361 -3.019 1.00 . A A . 18 GLU OE1 1 1
7 3331 1 1 18 GLU OE2 O -6.855 -3.824 -5.080 1.00 . A A . 18 GLU OE2 1 1
7 3332 1 1 19 LEU C C -0.233 -2.746 0.115 1.00 . A A . 19 LEU C 1 1
7 3333 1 1 19 LEU CA C -1.724 -2.456 -0.055 1.00 . A A . 19 LEU CA 1 1
7 3334 1 1 19 LEU CB C -2.434 -2.334 1.307 1.00 . A A . 19 LEU CB 1 1
7 3335 1 1 19 LEU CD1 C -0.697 -1.496 2.946 1.00 . A A . 19 LEU CD1 1 1
7 3336 1 1 19 LEU CD2 C -1.866 0.124 1.444 1.00 . A A . 19 LEU CD2 1 1
7 3337 1 1 19 LEU CG C -2.000 -1.176 2.227 1.00 . A A . 19 LEU CG 1 1
7 3338 1 1 19 LEU H H -3.086 -4.030 -0.429 1.00 . A A . 19 LEU H 1 1
7 3339 1 1 19 LEU HA H -1.834 -1.525 -0.589 1.00 . A A . 19 LEU HA 1 1
7 3340 1 1 19 LEU HB2 H -3.493 -2.226 1.118 1.00 . A A . 19 LEU HB2 1 1
7 3341 1 1 19 LEU HB3 H -2.281 -3.259 1.843 1.00 . A A . 19 LEU HB3 1 1
7 3342 1 1 19 LEU HD11 H -0.426 -0.668 3.585 1.00 . A A . 19 LEU HD11 1 1
7 3343 1 1 19 LEU HD12 H 0.084 -1.661 2.218 1.00 . A A . 19 LEU HD12 1 1
7 3344 1 1 19 LEU HD13 H -0.825 -2.386 3.544 1.00 . A A . 19 LEU HD13 1 1
7 3345 1 1 19 LEU HD21 H -1.114 0.009 0.677 1.00 . A A . 19 LEU HD21 1 1
7 3346 1 1 19 LEU HD22 H -1.576 0.921 2.113 1.00 . A A . 19 LEU HD22 1 1
7 3347 1 1 19 LEU HD23 H -2.812 0.367 0.987 1.00 . A A . 19 LEU HD23 1 1
7 3348 1 1 19 LEU HG H -2.760 -1.030 2.979 1.00 . A A . 19 LEU HG 1 1
7 3349 1 1 19 LEU N N -2.372 -3.493 -0.844 1.00 . A A . 19 LEU N 1 1
7 3350 1 1 19 LEU O O 0.601 -1.878 -0.120 1.00 . A A . 19 LEU O 1 1
7 3351 1 1 20 GLN C C 2.274 -4.527 -0.485 1.00 . A A . 20 GLN C 1 1
7 3352 1 1 20 GLN CA C 1.466 -4.346 0.797 1.00 . A A . 20 GLN CA 1 1
7 3353 1 1 20 GLN CB C 1.495 -5.627 1.632 1.00 . A A . 20 GLN CB 1 1
7 3354 1 1 20 GLN CD C 2.849 -7.185 3.088 1.00 . A A . 20 GLN CD 1 1
7 3355 1 1 20 GLN CG C 2.885 -6.039 2.094 1.00 . A A . 20 GLN CG 1 1
7 3356 1 1 20 GLN H H -0.627 -4.627 0.644 1.00 . A A . 20 GLN H 1 1
7 3357 1 1 20 GLN HA H 1.910 -3.550 1.373 1.00 . A A . 20 GLN HA 1 1
7 3358 1 1 20 GLN HB2 H 0.876 -5.486 2.504 1.00 . A A . 20 GLN HB2 1 1
7 3359 1 1 20 GLN HB3 H 1.086 -6.433 1.043 1.00 . A A . 20 GLN HB3 1 1
7 3360 1 1 20 GLN HE21 H 1.145 -6.509 3.855 1.00 . A A . 20 GLN HE21 1 1
7 3361 1 1 20 GLN HE22 H 1.781 -7.945 4.578 1.00 . A A . 20 GLN HE22 1 1
7 3362 1 1 20 GLN HG2 H 3.461 -6.346 1.234 1.00 . A A . 20 GLN HG2 1 1
7 3363 1 1 20 GLN HG3 H 3.361 -5.190 2.561 1.00 . A A . 20 GLN HG3 1 1
7 3364 1 1 20 GLN N N 0.088 -3.967 0.514 1.00 . A A . 20 GLN N 1 1
7 3365 1 1 20 GLN NE2 N 1.821 -7.218 3.921 1.00 . A A . 20 GLN NE2 1 1
7 3366 1 1 20 GLN O O 3.353 -3.946 -0.639 1.00 . A A . 20 GLN O 1 1
7 3367 1 1 20 GLN OE1 O 3.747 -8.027 3.120 1.00 . A A . 20 GLN OE1 1 1
7 3368 1 1 21 . C C 2.048 -3.602 -4.222 1.00 . A A . 21 HMR C 1 1
7 3369 1 1 21 . CA C 2.453 -5.549 -2.653 1.00 . A A . 21 HMR CA 1 1
7 3370 1 1 21 . CB C 2.601 -7.061 -2.873 1.00 . A A . 21 HMR CB 1 1
7 3371 1 1 21 . CD C 3.273 -9.295 -1.922 1.00 . A A . 21 HMR CD 1 1
7 3372 1 1 21 . CG C 3.071 -7.815 -1.640 1.00 . A A . 21 HMR CG 1 1
7 3373 1 1 21 . CH2 C 1.661 -5.005 -3.841 1.00 . A A . 21 HMR CH2 1 1
7 3374 1 1 21 . CZ C 4.114 -11.080 -0.429 1.00 . A A . 21 HMR CZ 1 1
7 3375 1 1 21 . H H 0.884 -5.750 -1.264 1.00 . A A . 21 HMR H 1 1
7 3376 1 1 21 . HA H 3.427 -5.026 -2.567 1.00 . A A . 21 HMR HA 1 1
7 3377 1 1 21 . HB2 H 3.310 -7.231 -3.667 1.00 . A A . 21 HMR HB2 1 1
7 3378 1 1 21 . HB3 H 1.643 -7.460 -3.165 1.00 . A A . 21 HMR HB3 1 1
7 3379 1 1 21 . HC1 H 1.825 -5.646 -4.691 1.00 . A A . 21 HMR HC1 1 1
7 3380 1 1 21 . HC2 H 0.609 -5.007 -3.592 1.00 . A A . 21 HMR HC2 1 1
7 3381 1 1 21 . HD2 H 4.221 -9.428 -2.419 1.00 . A A . 21 HMR HD2 1 1
7 3382 1 1 21 . HD3 H 2.478 -9.640 -2.565 1.00 . A A . 21 HMR HD3 1 1
7 3383 1 1 21 . HE H 2.575 -9.859 -0.020 1.00 . A A . 21 HMR HE 1 1
7 3384 1 1 21 . HG2 H 2.329 -7.705 -0.862 1.00 . A A . 21 HMR HG2 1 1
7 3385 1 1 21 . HG3 H 4.007 -7.391 -1.307 1.00 . A A . 21 HMR HG3 1 1
7 3386 1 1 21 . HH1 H 5.116 -10.937 -2.187 1.00 . A A . 21 HMR HH1 1 1
7 3387 1 1 21 . HH2 H 5.681 -12.175 -1.112 1.00 . A A . 21 HMR HH2 1 1
7 3388 1 1 21 . HH21 H 4.668 -12.487 0.922 1.00 . A A . 21 HMR HH21 1 1
7 3389 1 1 21 . HH22 H 3.331 -11.486 1.395 1.00 . A A . 21 HMR HH22 1 1
7 3390 1 1 21 . N N 1.757 -5.321 -1.415 1.00 . A A . 21 HMR N 1 1
7 3391 1 1 21 . NE N 3.268 -10.083 -0.689 1.00 . A A . 21 HMR NE 1 1
7 3392 1 1 21 . NH1 N 5.045 -11.425 -1.314 1.00 . A A . 21 HMR NH1 1 1
7 3393 1 1 21 . NH2 N 4.031 -11.736 0.722 1.00 . A A . 21 HMR NH2 1 1
7 3394 1 1 21 . O O 2.882 -3.375 -5.101 1.00 . A A . 21 HMR O 1 1
7 3395 1 1 22 HIS C C 2.821 -0.733 -2.914 1.00 . A A . 22 HIS C 1 1
7 3396 1 1 22 HIS CA C 1.674 -1.242 -3.785 1.00 . A A . 22 HIS CA 1 1
7 3397 1 1 22 HIS CB C 0.394 -0.440 -3.526 1.00 . A A . 22 HIS CB 1 1
7 3398 1 1 22 HIS CD2 C 1.009 1.735 -2.305 1.00 . A A . 22 HIS CD2 1 1
7 3399 1 1 22 HIS CE1 C 0.870 3.152 -3.950 1.00 . A A . 22 HIS CE1 1 1
7 3400 1 1 22 HIS CG C 0.625 1.030 -3.392 1.00 . A A . 22 HIS CG 1 1
7 3401 1 1 22 HIS H H 0.750 -2.906 -2.884 1.00 . A A . 22 HIS H 1 1
7 3402 1 1 22 HIS HA H 1.952 -1.125 -4.820 1.00 . A A . 22 HIS HA 1 1
7 3403 1 1 22 HIS HB2 H -0.292 -0.595 -4.344 1.00 . A A . 22 HIS HB2 1 1
7 3404 1 1 22 HIS HB3 H -0.063 -0.790 -2.611 1.00 . A A . 22 HIS HB3 1 1
7 3405 1 1 22 HIS HD1 H 0.266 1.743 -5.364 1.00 . A A . 22 HIS HD1 1 1
7 3406 1 1 22 HIS HD2 H 1.160 1.348 -1.310 1.00 . A A . 22 HIS HD2 1 1
7 3407 1 1 22 HIS HE1 H 0.892 4.068 -4.518 1.00 . A A . 22 HIS HE1 1 1
7 3408 1 1 22 HIS N N 1.423 -2.649 -3.554 1.00 . A A . 22 HIS N 1 1
7 3409 1 1 22 HIS ND1 N 0.528 1.945 -4.437 1.00 . A A . 22 HIS ND1 1 1
7 3410 1 1 22 HIS NE2 N 1.160 3.043 -2.680 1.00 . A A . 22 HIS NE2 1 1
7 3411 1 1 22 HIS O O 3.737 -0.085 -3.423 1.00 . A A . 22 HIS O 1 1
7 3412 1 1 23 LYS C C 5.150 -0.835 -1.184 1.00 . A A . 23 LYS C 1 1
7 3413 1 1 23 LYS CA C 3.761 -0.535 -0.656 1.00 . A A . 23 LYS CA 1 1
7 3414 1 1 23 LYS CB C 3.562 -1.166 0.726 1.00 . A A . 23 LYS CB 1 1
7 3415 1 1 23 LYS CD C 3.821 0.881 2.193 1.00 . A A . 23 LYS CD 1 1
7 3416 1 1 23 LYS CE C 2.401 0.803 2.745 1.00 . A A . 23 LYS CE 1 1
7 3417 1 1 23 LYS CG C 4.366 -0.499 1.838 1.00 . A A . 23 LYS CG 1 1
7 3418 1 1 23 LYS H H 2.026 -1.587 -1.278 1.00 . A A . 23 LYS H 1 1
7 3419 1 1 23 LYS HA H 3.644 0.534 -0.579 1.00 . A A . 23 LYS HA 1 1
7 3420 1 1 23 LYS HB2 H 2.515 -1.108 0.985 1.00 . A A . 23 LYS HB2 1 1
7 3421 1 1 23 LYS HB3 H 3.853 -2.204 0.675 1.00 . A A . 23 LYS HB3 1 1
7 3422 1 1 23 LYS HD2 H 4.461 1.331 2.940 1.00 . A A . 23 LYS HD2 1 1
7 3423 1 1 23 LYS HD3 H 3.819 1.495 1.307 1.00 . A A . 23 LYS HD3 1 1
7 3424 1 1 23 LYS HE2 H 1.753 0.393 1.986 1.00 . A A . 23 LYS HE2 1 1
7 3425 1 1 23 LYS HE3 H 2.398 0.155 3.609 1.00 . A A . 23 LYS HE3 1 1
7 3426 1 1 23 LYS HG2 H 4.329 -1.123 2.717 1.00 . A A . 23 LYS HG2 1 1
7 3427 1 1 23 LYS HG3 H 5.391 -0.396 1.512 1.00 . A A . 23 LYS HG3 1 1
7 3428 1 1 23 LYS HZ1 H 2.520 2.572 3.851 1.00 . A A . 23 LYS HZ1 1 1
7 3429 1 1 23 LYS HZ2 H 0.939 2.052 3.558 1.00 . A A . 23 LYS HZ2 1 1
7 3430 1 1 23 LYS HZ3 H 1.834 2.769 2.316 1.00 . A A . 23 LYS HZ3 1 1
7 3431 1 1 23 LYS N N 2.761 -1.025 -1.607 1.00 . A A . 23 LYS N 1 1
7 3432 1 1 23 LYS NZ N 1.888 2.141 3.143 1.00 . A A . 23 LYS NZ 1 1
7 3433 1 1 23 LYS O O 6.052 0.000 -1.112 1.00 . A A . 23 LYS O 1 1
7 3434 1 1 24 . C C 7.156 -1.037 -4.385 1.00 . A A . 24 HMR C 1 1
7 3435 1 1 24 . CA C 6.566 -2.403 -2.322 1.00 . A A . 24 HMR CA 1 1
7 3436 1 1 24 . CB C 6.881 -3.873 -2.015 1.00 . A A . 24 HMR CB 1 1
7 3437 1 1 24 . CD C 8.446 -5.816 -2.290 1.00 . A A . 24 HMR CD 1 1
7 3438 1 1 24 . CG C 8.233 -4.334 -2.534 1.00 . A A . 24 HMR CG 1 1
7 3439 1 1 24 . CH2 C 6.459 -2.259 -3.840 1.00 . A A . 24 HMR CH2 1 1
7 3440 1 1 24 . CZ C 9.991 -7.489 -3.232 1.00 . A A . 24 HMR CZ 1 1
7 3441 1 1 24 . H H 4.574 -2.681 -1.701 1.00 . A A . 24 HMR H 1 1
7 3442 1 1 24 . HA H 7.325 -1.710 -1.926 1.00 . A A . 24 HMR HA 1 1
7 3443 1 1 24 . HB2 H 6.119 -4.491 -2.464 1.00 . A A . 24 HMR HB2 1 1
7 3444 1 1 24 . HB3 H 6.863 -4.016 -0.947 1.00 . A A . 24 HMR HB3 1 1
7 3445 1 1 24 . HC1 H 6.891 -3.129 -4.303 1.00 . A A . 24 HMR HC1 1 1
7 3446 1 1 24 . HC2 H 5.417 -2.200 -4.113 1.00 . A A . 24 HMR HC2 1 1
7 3447 1 1 24 . HD2 H 7.669 -6.367 -2.797 1.00 . A A . 24 HMR HD2 1 1
7 3448 1 1 24 . HD3 H 8.386 -6.004 -1.230 1.00 . A A . 24 HMR HD3 1 1
7 3449 1 1 24 . HE H 10.479 -5.606 -2.769 1.00 . A A . 24 HMR HE 1 1
7 3450 1 1 24 . HG2 H 9.009 -3.780 -2.028 1.00 . A A . 24 HMR HG2 1 1
7 3451 1 1 24 . HG3 H 8.286 -4.144 -3.593 1.00 . A A . 24 HMR HG3 1 1
7 3452 1 1 24 . HH1 H 11.943 -7.123 -3.644 1.00 . A A . 24 HMR HH1 1 1
7 3453 1 1 24 . HH2 H 11.393 -8.731 -4.001 1.00 . A A . 24 HMR HH2 1 1
7 3454 1 1 24 . HH21 H 8.103 -8.170 -2.945 1.00 . A A . 24 HMR HH21 1 1
7 3455 1 1 24 . HH22 H 9.218 -9.325 -3.606 1.00 . A A . 24 HMR HH22 1 1
7 3456 1 1 24 . N N 5.317 -2.033 -1.723 1.00 . A A . 24 HMR N 1 1
7 3457 1 1 24 . NE N 9.745 -6.263 -2.779 1.00 . A A . 24 HMR NE 1 1
7 3458 1 1 24 . NH1 N 11.204 -7.806 -3.659 1.00 . A A . 24 HMR NH1 1 1
7 3459 1 1 24 . NH2 N 9.027 -8.400 -3.263 1.00 . A A . 24 HMR NH2 1 1
7 3460 1 1 24 . O O 8.333 -1.081 -4.748 1.00 . A A . 24 HMR O 1 1
7 3461 1 1 25 THR C C 7.600 2.187 -3.987 1.00 . A A . 25 THR C 1 1
7 3462 1 1 25 THR CA C 6.919 1.299 -5.031 1.00 . A A . 25 THR CA 1 1
7 3463 1 1 25 THR CB C 5.794 2.088 -5.742 1.00 . A A . 25 THR CB 1 1
7 3464 1 1 25 THR CG2 C 4.779 2.633 -4.744 1.00 . A A . 25 THR CG2 1 1
7 3465 1 1 25 THR H H 5.501 0.048 -4.081 1.00 . A A . 25 THR H 1 1
7 3466 1 1 25 THR HA H 7.651 1.024 -5.774 1.00 . A A . 25 THR HA 1 1
7 3467 1 1 25 THR HB H 5.285 1.421 -6.423 1.00 . A A . 25 THR HB 1 1
7 3468 1 1 25 THR HG1 H 7.294 3.271 -6.267 1.00 . A A . 25 THR HG1 1 1
7 3469 1 1 25 THR HG21 H 4.030 3.207 -5.269 1.00 . A A . 25 THR HG21 1 1
7 3470 1 1 25 THR HG22 H 5.284 3.265 -4.029 1.00 . A A . 25 THR HG22 1 1
7 3471 1 1 25 THR HG23 H 4.306 1.810 -4.228 1.00 . A A . 25 THR HG23 1 1
7 3472 1 1 25 THR N N 6.416 0.067 -4.443 1.00 . A A . 25 THR N 1 1
7 3473 1 1 25 THR O O 8.325 3.120 -4.335 1.00 . A A . 25 THR O 1 1
7 3474 1 1 25 THR OG1 O 6.355 3.175 -6.491 1.00 . A A . 25 THR OG1 1 1
7 3475 1 1 26 HIS C C 9.134 1.826 -1.039 1.00 . A A . 26 HIS C 1 1
7 3476 1 1 26 HIS CA C 8.023 2.663 -1.652 1.00 . A A . 26 HIS CA 1 1
7 3477 1 1 26 HIS CB C 7.039 3.069 -0.545 1.00 . A A . 26 HIS CB 1 1
7 3478 1 1 26 HIS CD2 C 4.514 3.468 -0.876 1.00 . A A . 26 HIS CD2 1 1
7 3479 1 1 26 HIS CE1 C 4.553 5.408 -1.860 1.00 . A A . 26 HIS CE1 1 1
7 3480 1 1 26 HIS CG C 5.819 3.806 -1.008 1.00 . A A . 26 HIS CG 1 1
7 3481 1 1 26 HIS H H 6.754 1.176 -2.476 1.00 . A A . 26 HIS H 1 1
7 3482 1 1 26 HIS HA H 8.452 3.551 -2.090 1.00 . A A . 26 HIS HA 1 1
7 3483 1 1 26 HIS HB2 H 6.702 2.178 -0.036 1.00 . A A . 26 HIS HB2 1 1
7 3484 1 1 26 HIS HB3 H 7.556 3.701 0.165 1.00 . A A . 26 HIS HB3 1 1
7 3485 1 1 26 HIS HD1 H 6.631 5.555 -1.902 1.00 . A A . 26 HIS HD1 1 1
7 3486 1 1 26 HIS HD2 H 4.129 2.562 -0.439 1.00 . A A . 26 HIS HD2 1 1
7 3487 1 1 26 HIS HE1 H 4.239 6.328 -2.329 1.00 . A A . 26 HIS HE1 1 1
7 3488 1 1 26 HIS N N 7.368 1.908 -2.711 1.00 . A A . 26 HIS N 1 1
7 3489 1 1 26 HIS ND1 N 5.833 5.044 -1.643 1.00 . A A . 26 HIS ND1 1 1
7 3490 1 1 26 HIS NE2 N 3.751 4.481 -1.410 1.00 . A A . 26 HIS NE2 1 1
7 3491 1 1 26 HIS O O 10.314 2.169 -1.124 1.00 . A A . 26 HIS O 1 1
7 3492 1 1 27 . C C 10.773 -2.443 -0.271 1.00 . A A . 27 B3T C 1 1
7 3493 1 1 27 . CA C 9.523 -1.603 -0.387 1.00 . A A . 27 B3T CA 1 1
7 3494 1 1 27 . CB C 9.687 -0.199 0.199 1.00 . A A . 27 B3T CB 1 1
7 3495 1 1 27 . CD2 C 9.975 1.102 2.332 1.00 . A A . 27 B3T CD2 1 1
7 3496 1 1 27 . CG C 9.509 -0.209 1.722 1.00 . A A . 27 B3T CG 1 1
7 3497 1 1 27 . H1D2 H 11.017 1.258 2.098 1.00 . A A . 27 B3T H1D2 1 1
7 3498 1 1 27 . H2D2 H 9.847 1.067 3.402 1.00 . A A . 27 B3T H2D2 1 1
7 3499 1 1 27 . H3D2 H 9.388 1.914 1.926 1.00 . A A . 27 B3T H3D2 1 1
7 3500 1 1 27 . HA H 9.270 -1.518 -1.433 1.00 . A A . 27 B3T HA 1 1
7 3501 1 1 27 . HAA H 8.721 -2.107 0.131 1.00 . A A . 27 B3T HAA 1 1
7 3502 1 1 27 . HB H 10.679 0.154 0.014 1.00 . A A . 27 B3T HB 1 1
7 3503 1 1 27 . HG H 10.106 -1.011 2.133 1.00 . A A . 27 B3T HG 1 1
7 3504 1 1 27 . HN H 7.787 0.479 -0.437 1.00 . A A . 27 B3T HN 1 1
7 3505 1 1 27 . HOD1 H 7.786 0.335 2.518 1.00 . A A . 27 B3T HOD1 1 1
7 3506 1 1 27 . N N 8.743 0.708 -0.444 1.00 . A A . 27 B3T N 1 1
7 3507 1 1 27 . O O 11.807 -2.134 -0.872 1.00 . A A . 27 B3T O 1 1
7 3508 1 1 27 . OD1 O 8.132 -0.436 2.051 1.00 . A A . 27 B3T OD1 1 1
7 3509 1 1 28 GLY C C 12.862 -3.659 1.640 1.00 . A A . 28 GLY C 1 1
7 3510 1 1 28 GLY CA C 11.833 -4.353 0.767 1.00 . A A . 28 GLY CA 1 1
7 3511 1 1 28 GLY H H 9.815 -3.744 0.911 1.00 . A A . 28 GLY H 1 1
7 3512 1 1 28 GLY HA2 H 11.507 -5.256 1.257 1.00 . A A . 28 GLY HA2 1 1
7 3513 1 1 28 GLY HA3 H 12.293 -4.612 -0.175 1.00 . A A . 28 GLY HA3 1 1
7 3514 1 1 28 GLY N N 10.680 -3.515 0.511 1.00 . A A . 28 GLY N 1 1
7 3515 1 1 28 GLY O O 12.712 -2.473 1.962 1.00 . A A . 28 GLY O 1 1
7 3516 1 1 29 GLU C C 14.500 -3.246 4.133 1.00 . A A . 29 GLU C 1 1
7 3517 1 1 29 GLU CA C 15.000 -3.840 2.818 1.00 . A A . 29 GLU CA 1 1
7 3518 1 1 29 GLU CB C 15.730 -2.769 2.000 1.00 . A A . 29 GLU CB 1 1
7 3519 1 1 29 GLU CD C 16.732 -2.140 -0.220 1.00 . A A . 29 GLU CD 1 1
7 3520 1 1 29 GLU CG C 16.266 -3.270 0.670 1.00 . A A . 29 GLU CG 1 1
7 3521 1 1 29 GLU H H 13.919 -5.352 1.800 1.00 . A A . 29 GLU H 1 1
7 3522 1 1 29 GLU HA H 15.688 -4.643 3.040 1.00 . A A . 29 GLU HA 1 1
7 3523 1 1 29 GLU HB2 H 15.047 -1.958 1.801 1.00 . A A . 29 GLU HB2 1 1
7 3524 1 1 29 GLU HB3 H 16.561 -2.395 2.580 1.00 . A A . 29 GLU HB3 1 1
7 3525 1 1 29 GLU HG2 H 17.101 -3.926 0.859 1.00 . A A . 29 GLU HG2 1 1
7 3526 1 1 29 GLU HG3 H 15.485 -3.816 0.161 1.00 . A A . 29 GLU HG3 1 1
7 3527 1 1 29 GLU N N 13.896 -4.398 2.038 1.00 . A A . 29 GLU N 1 1
7 3528 1 1 29 GLU O O 14.900 -2.147 4.525 1.00 . A A . 29 GLU O 1 1
7 3529 1 1 29 GLU OE1 O 17.928 -1.783 -0.167 1.00 . A A . 29 GLU OE1 1 1
7 3530 1 1 29 GLU OE2 O 15.898 -1.593 -0.974 1.00 . A A . 29 GLU OE2 1 1
7 3531 1 1 30 LYS C C 12.750 -4.682 6.987 1.00 . A A . 30 LYS C 1 1
7 3532 1 1 30 LYS CA C 13.055 -3.504 6.066 1.00 . A A . 30 LYS CA 1 1
7 3533 1 1 30 LYS CB C 11.791 -2.671 5.811 1.00 . A A . 30 LYS CB 1 1
7 3534 1 1 30 LYS CD C 9.498 -2.525 4.798 1.00 . A A . 30 LYS CD 1 1
7 3535 1 1 30 LYS CE C 8.437 -3.246 3.982 1.00 . A A . 30 LYS CE 1 1
7 3536 1 1 30 LYS CG C 10.749 -3.372 4.953 1.00 . A A . 30 LYS CG 1 1
7 3537 1 1 30 LYS H H 13.336 -4.842 4.451 1.00 . A A . 30 LYS H 1 1
7 3538 1 1 30 LYS HA H 13.796 -2.878 6.544 1.00 . A A . 30 LYS HA 1 1
7 3539 1 1 30 LYS HB2 H 11.336 -2.430 6.760 1.00 . A A . 30 LYS HB2 1 1
7 3540 1 1 30 LYS HB3 H 12.072 -1.754 5.314 1.00 . A A . 30 LYS HB3 1 1
7 3541 1 1 30 LYS HD2 H 9.100 -2.304 5.778 1.00 . A A . 30 LYS HD2 1 1
7 3542 1 1 30 LYS HD3 H 9.761 -1.603 4.297 1.00 . A A . 30 LYS HD3 1 1
7 3543 1 1 30 LYS HE2 H 8.831 -3.438 2.996 1.00 . A A . 30 LYS HE2 1 1
7 3544 1 1 30 LYS HE3 H 8.206 -4.183 4.465 1.00 . A A . 30 LYS HE3 1 1
7 3545 1 1 30 LYS HG2 H 11.168 -3.561 3.976 1.00 . A A . 30 LYS HG2 1 1
7 3546 1 1 30 LYS HG3 H 10.484 -4.309 5.420 1.00 . A A . 30 LYS HG3 1 1
7 3547 1 1 30 LYS HZ1 H 6.826 -2.197 4.793 1.00 . A A . 30 LYS HZ1 1 1
7 3548 1 1 30 LYS HZ2 H 6.465 -2.994 3.348 1.00 . A A . 30 LYS HZ2 1 1
7 3549 1 1 30 LYS HZ3 H 7.382 -1.571 3.322 1.00 . A A . 30 LYS HZ3 1 1
7 3550 1 1 30 LYS N N 13.616 -3.969 4.806 1.00 . A A . 30 LYS N 1 1
7 3551 1 1 30 LYS NZ N 7.191 -2.446 3.853 1.00 . A A . 30 LYS NZ 1 1
7 3552 1 1 30 LYS O O 11.598 -4.953 7.330 1.00 . A A . 30 LYS O 1 1
7 3553 1 1 31 NH2 HN1 H 14.684 -5.100 7.086 1.00 . A A . 31 NH2 HN1 1 1
7 3554 1 1 31 NH2 HN2 H 13.642 -6.130 8.004 1.00 . A A . 31 NH2 HN2 1 1
7 3555 1 1 31 NH2 N N 13.794 -5.374 7.401 1.00 . A A . 31 NH2 N 1 1
7 3556 2 2 1 ZN ZN ZN 1.757 4.492 -1.464 1.00 . B A . 101 ZN ZN 1 1
8 3557 1 1 1 PRO C C -9.009 0.124 3.860 1.00 . A A . 1 PRO C 1 1
8 3558 1 1 1 PRO CA C -10.364 -0.171 3.238 1.00 . A A . 1 PRO CA 1 1
8 3559 1 1 1 PRO CB C -10.686 0.863 2.170 1.00 . A A . 1 PRO CB 1 1
8 3560 1 1 1 PRO CD C -12.464 0.768 3.770 1.00 . A A . 1 PRO CD 1 1
8 3561 1 1 1 PRO CG C -11.760 1.676 2.792 1.00 . A A . 1 PRO CG 1 1
8 3562 1 1 1 PRO H2 H -10.928 0.144 5.146 1.00 . A A . 1 PRO H2 1 1
8 3563 1 1 1 PRO H3 H -11.648 -1.142 4.449 1.00 . A A . 1 PRO H3 1 1
8 3564 1 1 1 PRO HA H -10.345 -1.155 2.795 1.00 . A A . 1 PRO HA 1 1
8 3565 1 1 1 PRO HB2 H -9.807 1.457 1.958 1.00 . A A . 1 PRO HB2 1 1
8 3566 1 1 1 PRO HB3 H -11.029 0.370 1.271 1.00 . A A . 1 PRO HB3 1 1
8 3567 1 1 1 PRO HD2 H -12.886 1.345 4.578 1.00 . A A . 1 PRO HD2 1 1
8 3568 1 1 1 PRO HD3 H -13.237 0.207 3.268 1.00 . A A . 1 PRO HD3 1 1
8 3569 1 1 1 PRO HG2 H -11.328 2.517 3.308 1.00 . A A . 1 PRO HG2 1 1
8 3570 1 1 1 PRO HG3 H -12.452 2.017 2.035 1.00 . A A . 1 PRO HG3 1 1
8 3571 1 1 1 PRO N N -11.414 -0.136 4.277 1.00 . A A . 1 PRO N 1 1
8 3572 1 1 1 PRO O O -8.903 0.319 5.072 1.00 . A A . 1 PRO O 1 1
8 3573 1 1 2 PHE C C -6.062 1.573 2.673 1.00 . A A . 2 PHE C 1 1
8 3574 1 1 2 PHE CA C -6.631 0.416 3.479 1.00 . A A . 2 PHE CA 1 1
8 3575 1 1 2 PHE CB C -5.756 -0.828 3.302 1.00 . A A . 2 PHE CB 1 1
8 3576 1 1 2 PHE CD1 C -7.167 -2.897 3.113 1.00 . A A . 2 PHE CD1 1 1
8 3577 1 1 2 PHE CD2 C -6.129 -2.417 5.204 1.00 . A A . 2 PHE CD2 1 1
8 3578 1 1 2 PHE CE1 C -7.733 -4.034 3.652 1.00 . A A . 2 PHE CE1 1 1
8 3579 1 1 2 PHE CE2 C -6.689 -3.557 5.745 1.00 . A A . 2 PHE CE2 1 1
8 3580 1 1 2 PHE CG C -6.359 -2.075 3.884 1.00 . A A . 2 PHE CG 1 1
8 3581 1 1 2 PHE CZ C -7.493 -4.365 4.968 1.00 . A A . 2 PHE CZ 1 1
8 3582 1 1 2 PHE H H -8.136 -0.020 2.074 1.00 . A A . 2 PHE H 1 1
8 3583 1 1 2 PHE HA H -6.667 0.685 4.522 1.00 . A A . 2 PHE HA 1 1
8 3584 1 1 2 PHE HB2 H -5.591 -0.997 2.249 1.00 . A A . 2 PHE HB2 1 1
8 3585 1 1 2 PHE HB3 H -4.806 -0.660 3.788 1.00 . A A . 2 PHE HB3 1 1
8 3586 1 1 2 PHE HD1 H -7.352 -2.643 2.080 1.00 . A A . 2 PHE HD1 1 1
8 3587 1 1 2 PHE HD2 H -5.500 -1.783 5.812 1.00 . A A . 2 PHE HD2 1 1
8 3588 1 1 2 PHE HE1 H -8.360 -4.666 3.041 1.00 . A A . 2 PHE HE1 1 1
8 3589 1 1 2 PHE HE2 H -6.501 -3.816 6.776 1.00 . A A . 2 PHE HE2 1 1
8 3590 1 1 2 PHE HZ H -7.935 -5.252 5.389 1.00 . A A . 2 PHE HZ 1 1
8 3591 1 1 2 PHE N N -7.981 0.147 3.030 1.00 . A A . 2 PHE N 1 1
8 3592 1 1 2 PHE O O -6.152 1.570 1.448 1.00 . A A . 2 PHE O 1 1
8 3593 1 1 3 . C C -3.482 3.974 2.828 1.00 . A A . 3 9KK C 1 1
8 3594 1 1 3 . CA C -4.966 3.741 2.596 1.00 . A A . 3 9KK CA 1 1
8 3595 1 1 3 . CB C -5.783 4.926 3.114 1.00 . A A . 3 9KK CB 1 1
8 3596 1 1 3 . CD C -6.325 7.369 2.861 1.00 . A A . 3 9KK CD 1 1
8 3597 1 1 3 . CE C -5.948 8.635 2.124 1.00 . A A . 3 9KK CE 1 1
8 3598 1 1 3 . CG C -5.385 6.244 2.471 1.00 . A A . 3 9KK CG 1 1
8 3599 1 1 3 . CM C -5.366 2.535 4.798 1.00 . A A . 3 9KK CM 1 1
8 3600 1 1 3 . HA H -5.137 3.630 1.535 1.00 . A A . 3 9KK HA 1 1
8 3601 1 1 3 . HB2 H -5.638 5.012 4.181 1.00 . A A . 3 9KK HB2 1 1
8 3602 1 1 3 . HB3 H -6.829 4.747 2.913 1.00 . A A . 3 9KK HB3 1 1
8 3603 1 1 3 . HD2 H -6.253 7.550 3.924 1.00 . A A . 3 9KK HD2 1 1
8 3604 1 1 3 . HD3 H -7.337 7.100 2.598 1.00 . A A . 3 9KK HD3 1 1
8 3605 1 1 3 . HE1 H -6.009 8.462 1.060 1.00 . A A . 3 9KK HE1 1 1
8 3606 1 1 3 . HE2 H -4.939 8.917 2.387 1.00 . A A . 3 9KK HE2 1 1
8 3607 1 1 3 . HE3 H -6.627 9.427 2.399 1.00 . A A . 3 9KK HE3 1 1
8 3608 1 1 3 . HG2 H -5.400 6.128 1.397 1.00 . A A . 3 9KK HG2 1 1
8 3609 1 1 3 . HG3 H -4.385 6.499 2.791 1.00 . A A . 3 9KK HG3 1 1
8 3610 1 1 3 . HM1 H -6.336 2.684 5.245 1.00 . A A . 3 9KK HM1 1 1
8 3611 1 1 3 . HM2 H -4.692 3.312 5.128 1.00 . A A . 3 9KK HM2 1 1
8 3612 1 1 3 . HM3 H -4.979 1.572 5.093 1.00 . A A . 3 9KK HM3 1 1
8 3613 1 1 3 . N N -5.488 2.586 3.328 1.00 . A A . 3 9KK N 1 1
8 3614 1 1 3 . O O -3.035 4.208 3.955 1.00 . A A . 3 9KK O 1 1
8 3615 1 1 4 CYS C C -1.071 5.654 2.118 1.00 . A A . 4 CYS C 1 1
8 3616 1 1 4 CYS CA C -1.309 4.185 1.798 1.00 . A A . 4 CYS CA 1 1
8 3617 1 1 4 CYS CB C -0.655 3.820 0.468 1.00 . A A . 4 CYS CB 1 1
8 3618 1 1 4 CYS H H -3.147 3.706 0.886 1.00 . A A . 4 CYS H 1 1
8 3619 1 1 4 CYS HA H -0.883 3.577 2.583 1.00 . A A . 4 CYS HA 1 1
8 3620 1 1 4 CYS HB2 H -0.829 2.774 0.260 1.00 . A A . 4 CYS HB2 1 1
8 3621 1 1 4 CYS HB3 H -1.096 4.417 -0.317 1.00 . A A . 4 CYS HB3 1 1
8 3622 1 1 4 CYS N N -2.728 3.919 1.750 1.00 . A A . 4 CYS N 1 1
8 3623 1 1 4 CYS O O -1.087 6.504 1.229 1.00 . A A . 4 CYS O 1 1
8 3624 1 1 4 CYS SG S 1.125 4.102 0.447 1.00 . A A . 4 CYS SG 1 1
8 3625 1 1 5 THR C C 0.802 7.675 3.869 1.00 . A A . 5 THR C 1 1
8 3626 1 1 5 THR CA C -0.684 7.310 3.842 1.00 . A A . 5 THR CA 1 1
8 3627 1 1 5 THR CB C -1.309 7.484 5.240 1.00 . A A . 5 THR CB 1 1
8 3628 1 1 5 THR CG2 C -1.609 8.947 5.533 1.00 . A A . 5 THR CG2 1 1
8 3629 1 1 5 THR H H -0.800 5.214 4.042 1.00 . A A . 5 THR H 1 1
8 3630 1 1 5 THR HA H -1.198 7.963 3.151 1.00 . A A . 5 THR HA 1 1
8 3631 1 1 5 THR HB H -0.617 7.113 5.982 1.00 . A A . 5 THR HB 1 1
8 3632 1 1 5 THR HG1 H -2.559 6.102 4.572 1.00 . A A . 5 THR HG1 1 1
8 3633 1 1 5 THR HG21 H -2.057 9.035 6.511 1.00 . A A . 5 THR HG21 1 1
8 3634 1 1 5 THR HG22 H -2.293 9.331 4.789 1.00 . A A . 5 THR HG22 1 1
8 3635 1 1 5 THR HG23 H -0.691 9.516 5.506 1.00 . A A . 5 THR HG23 1 1
8 3636 1 1 5 THR N N -0.854 5.945 3.387 1.00 . A A . 5 THR N 1 1
8 3637 1 1 5 THR O O 1.311 8.228 4.844 1.00 . A A . 5 THR O 1 1
8 3638 1 1 5 THR OG1 O -2.531 6.729 5.309 1.00 . A A . 5 THR OG1 1 1
8 3639 1 1 6 TRP C C 3.100 9.088 2.271 1.00 . A A . 6 TRP C 1 1
8 3640 1 1 6 TRP CA C 2.910 7.625 2.649 1.00 . A A . 6 TRP CA 1 1
8 3641 1 1 6 TRP CB C 3.516 6.711 1.575 1.00 . A A . 6 TRP CB 1 1
8 3642 1 1 6 TRP CD1 C 5.834 7.569 0.909 1.00 . A A . 6 TRP CD1 1 1
8 3643 1 1 6 TRP CD2 C 5.868 5.725 2.172 1.00 . A A . 6 TRP CD2 1 1
8 3644 1 1 6 TRP CE2 C 7.194 6.093 1.881 1.00 . A A . 6 TRP CE2 1 1
8 3645 1 1 6 TRP CE3 C 5.641 4.591 2.953 1.00 . A A . 6 TRP CE3 1 1
8 3646 1 1 6 TRP CG C 5.014 6.689 1.550 1.00 . A A . 6 TRP CG 1 1
8 3647 1 1 6 TRP CH2 C 8.034 4.258 3.103 1.00 . A A . 6 TRP CH2 1 1
8 3648 1 1 6 TRP CZ2 C 8.288 5.366 2.343 1.00 . A A . 6 TRP CZ2 1 1
8 3649 1 1 6 TRP CZ3 C 6.726 3.868 3.409 1.00 . A A . 6 TRP CZ3 1 1
8 3650 1 1 6 TRP H H 1.026 6.898 2.049 1.00 . A A . 6 TRP H 1 1
8 3651 1 1 6 TRP HA H 3.390 7.434 3.596 1.00 . A A . 6 TRP HA 1 1
8 3652 1 1 6 TRP HB2 H 3.176 5.703 1.737 1.00 . A A . 6 TRP HB2 1 1
8 3653 1 1 6 TRP HB3 H 3.177 7.044 0.607 1.00 . A A . 6 TRP HB3 1 1
8 3654 1 1 6 TRP HD1 H 5.485 8.418 0.339 1.00 . A A . 6 TRP HD1 1 1
8 3655 1 1 6 TRP HE1 H 7.926 7.710 0.760 1.00 . A A . 6 TRP HE1 1 1
8 3656 1 1 6 TRP HE3 H 4.640 4.273 3.198 1.00 . A A . 6 TRP HE3 1 1
8 3657 1 1 6 TRP HH2 H 8.850 3.662 3.480 1.00 . A A . 6 TRP HH2 1 1
8 3658 1 1 6 TRP HZ2 H 9.303 5.654 2.117 1.00 . A A . 6 TRP HZ2 1 1
8 3659 1 1 6 TRP HZ3 H 6.569 2.987 4.012 1.00 . A A . 6 TRP HZ3 1 1
8 3660 1 1 6 TRP N N 1.491 7.341 2.786 1.00 . A A . 6 TRP N 1 1
8 3661 1 1 6 TRP NE1 N 7.147 7.227 1.115 1.00 . A A . 6 TRP NE1 1 1
8 3662 1 1 6 TRP O O 2.195 9.703 1.706 1.00 . A A . 6 TRP O 1 1
8 3663 1 1 7 ABA C C 4.435 11.229 0.742 1.00 . A A . 7 AIB C 1 1
8 3664 1 1 7 ABA CA C 4.620 11.017 2.256 1.00 . A A . 7 AIB CA 1 1
8 3665 1 1 7 ABA H H 4.907 9.098 3.110 1.00 . A A . 7 AIB H 1 1
8 3666 1 1 7 ABA N N 4.264 9.636 2.606 1.00 . A A . 7 AIB N 1 1
8 3667 1 1 7 ABA O O 5.241 10.752 -0.063 1.00 . A A . 7 AIB O 1 1
8 3668 1 1 8 GLY C C 2.302 11.126 -1.721 1.00 . A A . 8 GLY C 1 1
8 3669 1 1 8 GLY CA C 3.125 12.199 -1.041 1.00 . A A . 8 GLY CA 1 1
8 3670 1 1 8 GLY H H 2.725 12.225 1.035 1.00 . A A . 8 GLY H 1 1
8 3671 1 1 8 GLY HA2 H 2.605 13.142 -1.121 1.00 . A A . 8 GLY HA2 1 1
8 3672 1 1 8 GLY HA3 H 4.077 12.278 -1.545 1.00 . A A . 8 GLY HA3 1 1
8 3673 1 1 8 GLY N N 3.364 11.914 0.360 1.00 . A A . 8 GLY N 1 1
8 3674 1 1 8 GLY O O 2.312 11.011 -2.947 1.00 . A A . 8 GLY O 1 1
8 3675 1 1 9 CYS C C -0.545 9.160 -0.715 1.00 . A A . 9 CYS C 1 1
8 3676 1 1 9 CYS CA C 0.781 9.258 -1.467 1.00 . A A . 9 CYS CA 1 1
8 3677 1 1 9 CYS CB C 1.546 7.943 -1.355 1.00 . A A . 9 CYS CB 1 1
8 3678 1 1 9 CYS H H 1.619 10.473 0.043 1.00 . A A . 9 CYS H 1 1
8 3679 1 1 9 CYS HA H 0.586 9.471 -2.508 1.00 . A A . 9 CYS HA 1 1
8 3680 1 1 9 CYS HB2 H 2.570 8.102 -1.657 1.00 . A A . 9 CYS HB2 1 1
8 3681 1 1 9 CYS HB3 H 1.526 7.619 -0.327 1.00 . A A . 9 CYS HB3 1 1
8 3682 1 1 9 CYS N N 1.592 10.335 -0.931 1.00 . A A . 9 CYS N 1 1
8 3683 1 1 9 CYS O O -0.639 9.563 0.445 1.00 . A A . 9 CYS O 1 1
8 3684 1 1 9 CYS SG S 0.875 6.606 -2.363 1.00 . A A . 9 CYS SG 1 1
8 3685 1 1 10 GLY C C -3.686 7.401 -1.446 1.00 . A A . 10 GLY C 1 1
8 3686 1 1 10 GLY CA C -2.857 8.457 -0.747 1.00 . A A . 10 GLY CA 1 1
8 3687 1 1 10 GLY H H -1.443 8.358 -2.313 1.00 . A A . 10 GLY H 1 1
8 3688 1 1 10 GLY HA2 H -2.707 8.165 0.282 1.00 . A A . 10 GLY HA2 1 1
8 3689 1 1 10 GLY HA3 H -3.389 9.395 -0.775 1.00 . A A . 10 GLY HA3 1 1
8 3690 1 1 10 GLY N N -1.565 8.630 -1.380 1.00 . A A . 10 GLY N 1 1
8 3691 1 1 10 GLY O O -4.909 7.518 -1.536 1.00 . A A . 10 GLY O 1 1
8 3692 1 1 11 LYS C C -4.484 4.406 -1.769 1.00 . A A . 11 LYS C 1 1
8 3693 1 1 11 LYS CA C -3.675 5.314 -2.697 1.00 . A A . 11 LYS CA 1 1
8 3694 1 1 11 LYS CB C -2.633 4.486 -3.455 1.00 . A A . 11 LYS CB 1 1
8 3695 1 1 11 LYS CD C -2.814 5.518 -5.745 1.00 . A A . 11 LYS CD 1 1
8 3696 1 1 11 LYS CE C -2.072 6.205 -6.884 1.00 . A A . 11 LYS CE 1 1
8 3697 1 1 11 LYS CG C -1.906 5.251 -4.554 1.00 . A A . 11 LYS CG 1 1
8 3698 1 1 11 LYS H H -2.052 6.315 -1.787 1.00 . A A . 11 LYS H 1 1
8 3699 1 1 11 LYS HA H -4.343 5.779 -3.405 1.00 . A A . 11 LYS HA 1 1
8 3700 1 1 11 LYS HB2 H -1.896 4.128 -2.751 1.00 . A A . 11 LYS HB2 1 1
8 3701 1 1 11 LYS HB3 H -3.127 3.637 -3.904 1.00 . A A . 11 LYS HB3 1 1
8 3702 1 1 11 LYS HD2 H -3.204 4.577 -6.103 1.00 . A A . 11 LYS HD2 1 1
8 3703 1 1 11 LYS HD3 H -3.631 6.149 -5.429 1.00 . A A . 11 LYS HD3 1 1
8 3704 1 1 11 LYS HE2 H -1.231 5.593 -7.171 1.00 . A A . 11 LYS HE2 1 1
8 3705 1 1 11 LYS HE3 H -2.744 6.304 -7.724 1.00 . A A . 11 LYS HE3 1 1
8 3706 1 1 11 LYS HG2 H -1.565 6.195 -4.156 1.00 . A A . 11 LYS HG2 1 1
8 3707 1 1 11 LYS HG3 H -1.058 4.668 -4.881 1.00 . A A . 11 LYS HG3 1 1
8 3708 1 1 11 LYS HZ1 H -2.367 8.151 -6.176 1.00 . A A . 11 LYS HZ1 1 1
8 3709 1 1 11 LYS HZ2 H -1.131 8.022 -7.319 1.00 . A A . 11 LYS HZ2 1 1
8 3710 1 1 11 LYS HZ3 H -0.876 7.479 -5.738 1.00 . A A . 11 LYS HZ3 1 1
8 3711 1 1 11 LYS N N -3.016 6.372 -1.943 1.00 . A A . 11 LYS N 1 1
8 3712 1 1 11 LYS NZ N -1.576 7.556 -6.501 1.00 . A A . 11 LYS NZ 1 1
8 3713 1 1 11 LYS O O -4.009 4.038 -0.696 1.00 . A A . 11 LYS O 1 1
8 3714 1 1 12 . C C -6.880 1.818 -1.932 1.00 . A A . 12 MMO C 1 1
8 3715 1 1 12 . CA C -6.549 3.169 -1.299 1.00 . A A . 12 MMO CA 1 1
8 3716 1 1 12 . CB C -7.827 3.973 -1.051 1.00 . A A . 12 MMO CB 1 1
8 3717 1 1 12 . CD C -8.913 5.938 0.084 1.00 . A A . 12 MMO CD 1 1
8 3718 1 1 12 . CG C -7.601 5.258 -0.269 1.00 . A A . 12 MMO CG 1 1
8 3719 1 1 12 . CN C -6.227 4.475 -3.477 1.00 . A A . 12 MMO CN 1 1
8 3720 1 1 12 . CZ C -10.568 7.293 -1.142 1.00 . A A . 12 MMO CZ 1 1
8 3721 1 1 12 . HA H -6.057 2.991 -0.354 1.00 . A A . 12 MMO HA 1 1
8 3722 1 1 12 . HC1 H -6.477 5.524 -3.432 1.00 . A A . 12 MMO HC1 1 1
8 3723 1 1 12 . HC2 H -7.109 3.904 -3.729 1.00 . A A . 12 MMO HC2 1 1
8 3724 1 1 12 . HC3 H -5.468 4.317 -4.229 1.00 . A A . 12 MMO HC3 1 1
8 3725 1 1 12 . HCB1 H -8.518 3.358 -0.492 1.00 . A A . 12 MMO HCB1 1 1
8 3726 1 1 12 . HCB2 H -8.271 4.227 -2.001 1.00 . A A . 12 MMO HCB2 1 1
8 3727 1 1 12 . HCD1 H -8.696 6.838 0.639 1.00 . A A . 12 MMO HCD1 1 1
8 3728 1 1 12 . HCD2 H -9.493 5.268 0.699 1.00 . A A . 12 MMO HCD2 1 1
8 3729 1 1 12 . HCG1 H -7.004 5.932 -0.867 1.00 . A A . 12 MMO HCG1 1 1
8 3730 1 1 12 . HCG2 H -7.077 5.021 0.643 1.00 . A A . 12 MMO HCG2 1 1
8 3731 1 1 12 . HE H -9.570 5.737 -1.904 1.00 . A A . 12 MMO HE 1 1
8 3732 1 1 12 . HH11 H -11.902 8.295 -2.292 1.00 . A A . 12 MMO HH11 1 1
8 3733 1 1 12 . HH12 H -11.111 6.960 -3.064 1.00 . A A . 12 MMO HH12 1 1
8 3734 1 1 12 . HH21 H -10.270 7.869 0.779 1.00 . A A . 12 MMO HH21 1 1
8 3735 1 1 12 . HH22 H -11.426 8.810 -0.106 1.00 . A A . 12 MMO HH22 1 1
8 3736 1 1 12 . N N -5.715 4.030 -2.160 1.00 . A A . 12 MMO N 1 1
8 3737 1 1 12 . NE N -9.696 6.288 -1.098 1.00 . A A . 12 MMO NE 1 1
8 3738 1 1 12 . NH1 N -11.245 7.537 -2.255 1.00 . A A . 12 MMO NH1 1 1
8 3739 1 1 12 . NH2 N -10.771 8.050 -0.071 1.00 . A A . 12 MMO NH2 1 1
8 3740 1 1 12 . O O -7.149 1.714 -3.129 1.00 . A A . 12 MMO O 1 1
8 3741 1 1 13 PHE C C -8.003 -1.332 -0.652 1.00 . A A . 13 PHE C 1 1
8 3742 1 1 13 PHE CA C -7.043 -0.586 -1.571 1.00 . A A . 13 PHE CA 1 1
8 3743 1 1 13 PHE CB C -5.687 -1.296 -1.607 1.00 . A A . 13 PHE CB 1 1
8 3744 1 1 13 PHE CD1 C -4.599 -0.973 -3.840 1.00 . A A . 13 PHE CD1 1 1
8 3745 1 1 13 PHE CD2 C -3.849 0.365 -2.014 1.00 . A A . 13 PHE CD2 1 1
8 3746 1 1 13 PHE CE1 C -3.681 -0.365 -4.670 1.00 . A A . 13 PHE CE1 1 1
8 3747 1 1 13 PHE CE2 C -2.928 0.980 -2.840 1.00 . A A . 13 PHE CE2 1 1
8 3748 1 1 13 PHE CG C -4.694 -0.616 -2.505 1.00 . A A . 13 PHE CG 1 1
8 3749 1 1 13 PHE CZ C -2.873 0.668 -4.161 1.00 . A A . 13 PHE CZ 1 1
8 3750 1 1 13 PHE H H -6.710 0.940 -0.152 1.00 . A A . 13 PHE H 1 1
8 3751 1 1 13 PHE HA H -7.456 -0.555 -2.567 1.00 . A A . 13 PHE HA 1 1
8 3752 1 1 13 PHE HB2 H -5.272 -1.315 -0.611 1.00 . A A . 13 PHE HB2 1 1
8 3753 1 1 13 PHE HB3 H -5.820 -2.307 -1.958 1.00 . A A . 13 PHE HB3 1 1
8 3754 1 1 13 PHE HD1 H -5.250 -1.740 -4.229 1.00 . A A . 13 PHE HD1 1 1
8 3755 1 1 13 PHE HD2 H -3.917 0.651 -0.975 1.00 . A A . 13 PHE HD2 1 1
8 3756 1 1 13 PHE HE1 H -3.620 -0.655 -5.709 1.00 . A A . 13 PHE HE1 1 1
8 3757 1 1 13 PHE HE2 H -2.274 1.743 -2.448 1.00 . A A . 13 PHE HE2 1 1
8 3758 1 1 13 PHE HZ H -2.165 1.169 -4.805 1.00 . A A . 13 PHE HZ 1 1
8 3759 1 1 13 PHE N N -6.859 0.782 -1.109 1.00 . A A . 13 PHE N 1 1
8 3760 1 1 13 PHE O O -8.180 -0.956 0.506 1.00 . A A . 13 PHE O 1 1
8 3761 1 1 14 THR C C -8.927 -4.435 0.154 1.00 . A A . 14 THR C 1 1
8 3762 1 1 14 THR CA C -9.579 -3.161 -0.392 1.00 . A A . 14 THR CA 1 1
8 3763 1 1 14 THR CB C -10.833 -3.517 -1.233 1.00 . A A . 14 THR CB 1 1
8 3764 1 1 14 THR CG2 C -10.464 -4.361 -2.445 1.00 . A A . 14 THR CG2 1 1
8 3765 1 1 14 THR H H -8.444 -2.633 -2.102 1.00 . A A . 14 THR H 1 1
8 3766 1 1 14 THR HA H -9.896 -2.552 0.444 1.00 . A A . 14 THR HA 1 1
8 3767 1 1 14 THR HB H -11.278 -2.597 -1.582 1.00 . A A . 14 THR HB 1 1
8 3768 1 1 14 THR HG1 H -11.753 -3.902 0.477 1.00 . A A . 14 THR HG1 1 1
8 3769 1 1 14 THR HG21 H -11.353 -4.580 -3.016 1.00 . A A . 14 THR HG21 1 1
8 3770 1 1 14 THR HG22 H -10.012 -5.284 -2.116 1.00 . A A . 14 THR HG22 1 1
8 3771 1 1 14 THR HG23 H -9.763 -3.818 -3.063 1.00 . A A . 14 THR HG23 1 1
8 3772 1 1 14 THR N N -8.626 -2.380 -1.169 1.00 . A A . 14 THR N 1 1
8 3773 1 1 14 THR O O -9.562 -5.221 0.859 1.00 . A A . 14 THR O 1 1
8 3774 1 1 14 THR OG1 O -11.799 -4.217 -0.436 1.00 . A A . 14 THR OG1 1 1
8 3775 1 1 15 ARG C C -5.574 -5.330 0.921 1.00 . A A . 15 ARG C 1 1
8 3776 1 1 15 ARG CA C -6.906 -5.777 0.336 1.00 . A A . 15 ARG CA 1 1
8 3777 1 1 15 ARG CB C -6.659 -6.791 -0.778 1.00 . A A . 15 ARG CB 1 1
8 3778 1 1 15 ARG CD C -7.615 -8.428 -2.421 1.00 . A A . 15 ARG CD 1 1
8 3779 1 1 15 ARG CG C -7.924 -7.432 -1.319 1.00 . A A . 15 ARG CG 1 1
8 3780 1 1 15 ARG CZ C -8.888 -10.251 -3.490 1.00 . A A . 15 ARG CZ 1 1
8 3781 1 1 15 ARG H H -7.205 -3.995 -0.763 1.00 . A A . 15 ARG H 1 1
8 3782 1 1 15 ARG HA H -7.493 -6.240 1.114 1.00 . A A . 15 ARG HA 1 1
8 3783 1 1 15 ARG HB2 H -6.157 -6.294 -1.594 1.00 . A A . 15 ARG HB2 1 1
8 3784 1 1 15 ARG HB3 H -6.018 -7.572 -0.397 1.00 . A A . 15 ARG HB3 1 1
8 3785 1 1 15 ARG HD2 H -7.089 -7.919 -3.215 1.00 . A A . 15 ARG HD2 1 1
8 3786 1 1 15 ARG HD3 H -6.989 -9.209 -2.019 1.00 . A A . 15 ARG HD3 1 1
8 3787 1 1 15 ARG HE H -9.651 -8.482 -2.946 1.00 . A A . 15 ARG HE 1 1
8 3788 1 1 15 ARG HG2 H -8.428 -7.947 -0.513 1.00 . A A . 15 ARG HG2 1 1
8 3789 1 1 15 ARG HG3 H -8.567 -6.661 -1.712 1.00 . A A . 15 ARG HG3 1 1
8 3790 1 1 15 ARG HH11 H -6.928 -10.664 -3.173 1.00 . A A . 15 ARG HH11 1 1
8 3791 1 1 15 ARG HH12 H -7.839 -11.929 -3.936 1.00 . A A . 15 ARG HH12 1 1
8 3792 1 1 15 ARG HH21 H -10.862 -10.144 -3.936 1.00 . A A . 15 ARG HH21 1 1
8 3793 1 1 15 ARG HH22 H -10.088 -11.641 -4.353 1.00 . A A . 15 ARG HH22 1 1
8 3794 1 1 15 ARG N N -7.653 -4.632 -0.168 1.00 . A A . 15 ARG N 1 1
8 3795 1 1 15 ARG NE N -8.830 -9.029 -2.967 1.00 . A A . 15 ARG NE 1 1
8 3796 1 1 15 ARG NH1 N -7.798 -11.010 -3.534 1.00 . A A . 15 ARG NH1 1 1
8 3797 1 1 15 ARG NH2 N -10.035 -10.713 -3.968 1.00 . A A . 15 ARG NH2 1 1
8 3798 1 1 15 ARG O O -4.793 -4.640 0.261 1.00 . A A . 15 ARG O 1 1
8 3799 1 1 16 SER C C -2.883 -5.941 2.155 1.00 . A A . 16 SER C 1 1
8 3800 1 1 16 SER CA C -4.104 -5.389 2.876 1.00 . A A . 16 SER CA 1 1
8 3801 1 1 16 SER CB C -4.170 -5.915 4.311 1.00 . A A . 16 SER CB 1 1
8 3802 1 1 16 SER H H -5.989 -6.304 2.617 1.00 . A A . 16 SER H 1 1
8 3803 1 1 16 SER HA H -4.032 -4.313 2.897 1.00 . A A . 16 SER HA 1 1
8 3804 1 1 16 SER HB2 H -3.196 -5.824 4.770 1.00 . A A . 16 SER HB2 1 1
8 3805 1 1 16 SER HB3 H -4.889 -5.338 4.872 1.00 . A A . 16 SER HB3 1 1
8 3806 1 1 16 SER HG H -5.464 -7.347 4.670 1.00 . A A . 16 SER HG 1 1
8 3807 1 1 16 SER N N -5.326 -5.741 2.163 1.00 . A A . 16 SER N 1 1
8 3808 1 1 16 SER O O -1.847 -5.283 2.073 1.00 . A A . 16 SER O 1 1
8 3809 1 1 16 SER OG O -4.559 -7.279 4.334 1.00 . A A . 16 SER OG 1 1
8 3810 1 1 17 . C C -1.928 -6.954 -1.499 1.00 . A A . 17 B3D C 1 1
8 3811 1 1 17 . CA C -2.356 -8.029 -0.537 1.00 . A A . 17 B3D CA 1 1
8 3812 1 1 17 . CB C -1.931 -7.763 0.905 1.00 . A A . 17 B3D CB 1 1
8 3813 1 1 17 . CD C -2.639 -10.187 1.321 1.00 . A A . 17 B3D CD 1 1
8 3814 1 1 17 . CG C -1.568 -9.126 1.532 1.00 . A A . 17 B3D CG 1 1
8 3815 1 1 17 . H H -3.839 -7.657 1.782 1.00 . A A . 17 B3D H 1 1
8 3816 1 1 17 . HA1 H -1.925 -8.963 -0.860 1.00 . A A . 17 B3D HA1 1 1
8 3817 1 1 17 . HA2 H -3.433 -8.104 -0.576 1.00 . A A . 17 B3D HA2 1 1
8 3818 1 1 17 . HB H -1.093 -7.042 0.929 1.00 . A A . 17 B3D HB 1 1
8 3819 1 1 17 . HG2 H -1.420 -8.998 2.594 1.00 . A A . 17 B3D HG2 1 1
8 3820 1 1 17 . HG3 H -0.652 -9.478 1.088 1.00 . A A . 17 B3D HG3 1 1
8 3821 1 1 17 . N N -3.005 -7.156 1.642 1.00 . A A . 17 B3D N 1 1
8 3822 1 1 17 . O O -0.743 -6.792 -1.794 1.00 . A A . 17 B3D O 1 1
8 3823 1 1 17 . OE1 O -2.361 -11.196 0.637 1.00 . A A . 17 B3D OE1 1 1
8 3824 1 1 17 . OE2 O -3.764 -10.021 1.837 1.00 . A A . 17 B3D OE2 1 1
8 3825 1 1 18 GLU C C -2.073 -3.911 -2.305 1.00 . A A . 18 GLU C 1 1
8 3826 1 1 18 GLU CA C -2.684 -5.144 -2.952 1.00 . A A . 18 GLU CA 1 1
8 3827 1 1 18 GLU CB C -3.999 -4.775 -3.638 1.00 . A A . 18 GLU CB 1 1
8 3828 1 1 18 GLU CD C -3.799 -6.311 -5.631 1.00 . A A . 18 GLU CD 1 1
8 3829 1 1 18 GLU CG C -4.619 -5.921 -4.419 1.00 . A A . 18 GLU CG 1 1
8 3830 1 1 18 GLU H H -3.822 -6.351 -1.654 1.00 . A A . 18 GLU H 1 1
8 3831 1 1 18 GLU HA H -1.997 -5.525 -3.691 1.00 . A A . 18 GLU HA 1 1
8 3832 1 1 18 GLU HB2 H -4.705 -4.455 -2.887 1.00 . A A . 18 GLU HB2 1 1
8 3833 1 1 18 GLU HB3 H -3.818 -3.958 -4.322 1.00 . A A . 18 GLU HB3 1 1
8 3834 1 1 18 GLU HG2 H -4.703 -6.778 -3.769 1.00 . A A . 18 GLU HG2 1 1
8 3835 1 1 18 GLU HG3 H -5.604 -5.625 -4.749 1.00 . A A . 18 GLU HG3 1 1
8 3836 1 1 18 GLU N N -2.912 -6.195 -1.973 1.00 . A A . 18 GLU N 1 1
8 3837 1 1 18 GLU O O -1.284 -3.205 -2.929 1.00 . A A . 18 GLU O 1 1
8 3838 1 1 18 GLU OE1 O -2.767 -6.993 -5.464 1.00 . A A . 18 GLU OE1 1 1
8 3839 1 1 18 GLU OE2 O -4.189 -5.948 -6.759 1.00 . A A . 18 GLU OE2 1 1
8 3840 1 1 19 LEU C C -0.398 -2.721 -0.111 1.00 . A A . 19 LEU C 1 1
8 3841 1 1 19 LEU CA C -1.894 -2.522 -0.325 1.00 . A A . 19 LEU CA 1 1
8 3842 1 1 19 LEU CB C -2.638 -2.354 1.013 1.00 . A A . 19 LEU CB 1 1
8 3843 1 1 19 LEU CD1 C -0.943 -1.558 2.713 1.00 . A A . 19 LEU CD1 1 1
8 3844 1 1 19 LEU CD2 C -1.966 0.084 1.127 1.00 . A A . 19 LEU CD2 1 1
8 3845 1 1 19 LEU CG C -2.193 -1.195 1.926 1.00 . A A . 19 LEU CG 1 1
8 3846 1 1 19 LEU H H -3.114 -4.223 -0.621 1.00 . A A . 19 LEU H 1 1
8 3847 1 1 19 LEU HA H -2.044 -1.638 -0.925 1.00 . A A . 19 LEU HA 1 1
8 3848 1 1 19 LEU HB2 H -3.686 -2.220 0.794 1.00 . A A . 19 LEU HB2 1 1
8 3849 1 1 19 LEU HB3 H -2.527 -3.274 1.568 1.00 . A A . 19 LEU HB3 1 1
8 3850 1 1 19 LEU HD11 H -1.158 -2.397 3.357 1.00 . A A . 19 LEU HD11 1 1
8 3851 1 1 19 LEU HD12 H -0.635 -0.716 3.309 1.00 . A A . 19 LEU HD12 1 1
8 3852 1 1 19 LEU HD13 H -0.150 -1.825 2.029 1.00 . A A . 19 LEU HD13 1 1
8 3853 1 1 19 LEU HD21 H -1.610 0.859 1.786 1.00 . A A . 19 LEU HD21 1 1
8 3854 1 1 19 LEU HD22 H -2.895 0.396 0.679 1.00 . A A . 19 LEU HD22 1 1
8 3855 1 1 19 LEU HD23 H -1.233 -0.096 0.353 1.00 . A A . 19 LEU HD23 1 1
8 3856 1 1 19 LEU HG H -2.980 -1.000 2.638 1.00 . A A . 19 LEU HG 1 1
8 3857 1 1 19 LEU N N -2.444 -3.650 -1.058 1.00 . A A . 19 LEU N 1 1
8 3858 1 1 19 LEU O O 0.404 -1.859 -0.456 1.00 . A A . 19 LEU O 1 1
8 3859 1 1 20 GLN C C 2.157 -4.398 -0.547 1.00 . A A . 20 GLN C 1 1
8 3860 1 1 20 GLN CA C 1.369 -4.157 0.737 1.00 . A A . 20 GLN CA 1 1
8 3861 1 1 20 GLN CB C 1.485 -5.366 1.667 1.00 . A A . 20 GLN CB 1 1
8 3862 1 1 20 GLN CD C 3.562 -4.438 2.784 1.00 . A A . 20 GLN CD 1 1
8 3863 1 1 20 GLN CG C 2.906 -5.645 2.138 1.00 . A A . 20 GLN CG 1 1
8 3864 1 1 20 GLN H H -0.720 -4.518 0.700 1.00 . A A . 20 GLN H 1 1
8 3865 1 1 20 GLN HA H 1.785 -3.296 1.237 1.00 . A A . 20 GLN HA 1 1
8 3866 1 1 20 GLN HB2 H 0.866 -5.198 2.535 1.00 . A A . 20 GLN HB2 1 1
8 3867 1 1 20 GLN HB3 H 1.125 -6.240 1.146 1.00 . A A . 20 GLN HB3 1 1
8 3868 1 1 20 GLN HE21 H 4.328 -3.874 1.037 1.00 . A A . 20 GLN HE21 1 1
8 3869 1 1 20 GLN HE22 H 4.706 -2.865 2.389 1.00 . A A . 20 GLN HE22 1 1
8 3870 1 1 20 GLN HG2 H 2.879 -6.448 2.859 1.00 . A A . 20 GLN HG2 1 1
8 3871 1 1 20 GLN HG3 H 3.501 -5.947 1.287 1.00 . A A . 20 GLN HG3 1 1
8 3872 1 1 20 GLN N N -0.030 -3.864 0.451 1.00 . A A . 20 GLN N 1 1
8 3873 1 1 20 GLN NE2 N 4.267 -3.645 1.991 1.00 . A A . 20 GLN NE2 1 1
8 3874 1 1 20 GLN O O 3.236 -3.830 -0.743 1.00 . A A . 20 GLN O 1 1
8 3875 1 1 20 GLN OE1 O 3.436 -4.218 3.988 1.00 . A A . 20 GLN OE1 1 1
8 3876 1 1 21 . C C 2.009 -3.549 -4.231 1.00 . A A . 21 HMR C 1 1
8 3877 1 1 21 . CA C 2.288 -5.524 -2.668 1.00 . A A . 21 HMR CA 1 1
8 3878 1 1 21 . CB C 2.291 -7.043 -2.878 1.00 . A A . 21 HMR CB 1 1
8 3879 1 1 21 . CD C 2.579 -9.320 -1.858 1.00 . A A . 21 HMR CD 1 1
8 3880 1 1 21 . CG C 2.780 -7.827 -1.672 1.00 . A A . 21 HMR CG 1 1
8 3881 1 1 21 . CH2 C 1.539 -4.926 -3.856 1.00 . A A . 21 HMR CH2 1 1
8 3882 1 1 21 . CZ C 0.677 -10.882 -2.016 1.00 . A A . 21 HMR CZ 1 1
8 3883 1 1 21 . H H 0.753 -5.651 -1.235 1.00 . A A . 21 HMR H 1 1
8 3884 1 1 21 . HA H 3.306 -5.093 -2.591 1.00 . A A . 21 HMR HA 1 1
8 3885 1 1 21 . HB2 H 2.929 -7.277 -3.716 1.00 . A A . 21 HMR HB2 1 1
8 3886 1 1 21 . HB3 H 1.286 -7.362 -3.102 1.00 . A A . 21 HMR HB3 1 1
8 3887 1 1 21 . HC1 H 1.672 -5.570 -4.711 1.00 . A A . 21 HMR HC1 1 1
8 3888 1 1 21 . HC2 H 0.487 -4.868 -3.615 1.00 . A A . 21 HMR HC2 1 1
8 3889 1 1 21 . HD2 H 2.885 -9.827 -0.955 1.00 . A A . 21 HMR HD2 1 1
8 3890 1 1 21 . HD3 H 3.193 -9.653 -2.681 1.00 . A A . 21 HMR HD3 1 1
8 3891 1 1 21 . HE H 0.595 -8.928 -2.439 1.00 . A A . 21 HMR HE 1 1
8 3892 1 1 21 . HG2 H 2.228 -7.506 -0.802 1.00 . A A . 21 HMR HG2 1 1
8 3893 1 1 21 . HG3 H 3.831 -7.631 -1.529 1.00 . A A . 21 HMR HG3 1 1
8 3894 1 1 21 . HH1 H 2.412 -11.724 -1.396 1.00 . A A . 21 HMR HH1 1 1
8 3895 1 1 21 . HH2 H 1.064 -12.809 -1.520 1.00 . A A . 21 HMR HH2 1 1
8 3896 1 1 21 . HH21 H -0.979 -12.033 -2.209 1.00 . A A . 21 HMR HH21 1 1
8 3897 1 1 21 . HH22 H -1.192 -10.359 -2.613 1.00 . A A . 21 HMR HH22 1 1
8 3898 1 1 21 . N N 1.622 -5.232 -1.427 1.00 . A A . 21 HMR N 1 1
8 3899 1 1 21 . NE N 1.184 -9.658 -2.142 1.00 . A A . 21 HMR NE 1 1
8 3900 1 1 21 . NH1 N 1.446 -11.884 -1.613 1.00 . A A . 21 HMR NH1 1 1
8 3901 1 1 21 . NH2 N -0.600 -11.109 -2.304 1.00 . A A . 21 HMR NH2 1 1
8 3902 1 1 21 . O O 2.975 -3.378 -4.977 1.00 . A A . 21 HMR O 1 1
8 3903 1 1 22 HIS C C 2.757 -0.656 -3.102 1.00 . A A . 22 HIS C 1 1
8 3904 1 1 22 HIS CA C 1.604 -1.165 -3.966 1.00 . A A . 22 HIS CA 1 1
8 3905 1 1 22 HIS CB C 0.344 -0.319 -3.737 1.00 . A A . 22 HIS CB 1 1
8 3906 1 1 22 HIS CD2 C 0.982 1.857 -2.516 1.00 . A A . 22 HIS CD2 1 1
8 3907 1 1 22 HIS CE1 C 0.974 3.247 -4.188 1.00 . A A . 22 HIS CE1 1 1
8 3908 1 1 22 HIS CG C 0.621 1.146 -3.611 1.00 . A A . 22 HIS CG 1 1
8 3909 1 1 22 HIS H H 0.561 -2.777 -3.102 1.00 . A A . 22 HIS H 1 1
8 3910 1 1 22 HIS HA H 1.889 -1.084 -5.003 1.00 . A A . 22 HIS HA 1 1
8 3911 1 1 22 HIS HB2 H -0.330 -0.460 -4.566 1.00 . A A . 22 HIS HB2 1 1
8 3912 1 1 22 HIS HB3 H -0.138 -0.648 -2.827 1.00 . A A . 22 HIS HB3 1 1
8 3913 1 1 22 HIS HD1 H 0.372 1.844 -5.603 1.00 . A A . 22 HIS HD1 1 1
8 3914 1 1 22 HIS HD2 H 1.069 1.483 -1.508 1.00 . A A . 22 HIS HD2 1 1
8 3915 1 1 22 HIS HE1 H 1.058 4.152 -4.772 1.00 . A A . 22 HIS HE1 1 1
8 3916 1 1 22 HIS N N 1.312 -2.558 -3.698 1.00 . A A . 22 HIS N 1 1
8 3917 1 1 22 HIS ND1 N 0.609 2.047 -4.671 1.00 . A A . 22 HIS ND1 1 1
8 3918 1 1 22 HIS NE2 N 1.202 3.153 -2.904 1.00 . A A . 22 HIS NE2 1 1
8 3919 1 1 22 HIS O O 3.735 -0.129 -3.633 1.00 . A A . 22 HIS O 1 1
8 3920 1 1 23 LYS C C 5.007 -0.614 -1.232 1.00 . A A . 23 LYS C 1 1
8 3921 1 1 23 LYS CA C 3.587 -0.258 -0.819 1.00 . A A . 23 LYS CA 1 1
8 3922 1 1 23 LYS CB C 3.295 -0.778 0.594 1.00 . A A . 23 LYS CB 1 1
8 3923 1 1 23 LYS CD C 3.618 1.264 2.057 1.00 . A A . 23 LYS CD 1 1
8 3924 1 1 23 LYS CE C 2.236 1.204 2.701 1.00 . A A . 23 LYS CE 1 1
8 3925 1 1 23 LYS CG C 4.133 -0.124 1.686 1.00 . A A . 23 LYS CG 1 1
8 3926 1 1 23 LYS H H 1.852 -1.314 -1.436 1.00 . A A . 23 LYS H 1 1
8 3927 1 1 23 LYS HA H 3.484 0.815 -0.828 1.00 . A A . 23 LYS HA 1 1
8 3928 1 1 23 LYS HB2 H 2.254 -0.602 0.818 1.00 . A A . 23 LYS HB2 1 1
8 3929 1 1 23 LYS HB3 H 3.482 -1.843 0.618 1.00 . A A . 23 LYS HB3 1 1
8 3930 1 1 23 LYS HD2 H 4.308 1.721 2.752 1.00 . A A . 23 LYS HD2 1 1
8 3931 1 1 23 LYS HD3 H 3.561 1.866 1.162 1.00 . A A . 23 LYS HD3 1 1
8 3932 1 1 23 LYS HE2 H 1.514 0.906 1.954 1.00 . A A . 23 LYS HE2 1 1
8 3933 1 1 23 LYS HE3 H 2.254 0.470 3.493 1.00 . A A . 23 LYS HE3 1 1
8 3934 1 1 23 LYS HG2 H 4.111 -0.748 2.567 1.00 . A A . 23 LYS HG2 1 1
8 3935 1 1 23 LYS HG3 H 5.151 -0.034 1.334 1.00 . A A . 23 LYS HG3 1 1
8 3936 1 1 23 LYS HZ1 H 1.820 3.246 2.525 1.00 . A A . 23 LYS HZ1 1 1
8 3937 1 1 23 LYS HZ2 H 2.491 2.808 4.018 1.00 . A A . 23 LYS HZ2 1 1
8 3938 1 1 23 LYS HZ3 H 0.873 2.451 3.680 1.00 . A A . 23 LYS HZ3 1 1
8 3939 1 1 23 LYS N N 2.624 -0.810 -1.779 1.00 . A A . 23 LYS N 1 1
8 3940 1 1 23 LYS NZ N 1.827 2.518 3.268 1.00 . A A . 23 LYS NZ 1 1
8 3941 1 1 23 LYS O O 5.904 0.231 -1.217 1.00 . A A . 23 LYS O 1 1
8 3942 1 1 24 . C C 7.266 -1.059 -4.152 1.00 . A A . 24 HMR C 1 1
8 3943 1 1 24 . CA C 6.482 -2.308 -2.075 1.00 . A A . 24 HMR CA 1 1
8 3944 1 1 24 . CB C 6.682 -3.768 -1.636 1.00 . A A . 24 HMR CB 1 1
8 3945 1 1 24 . CD C 8.157 -5.789 -1.527 1.00 . A A . 24 HMR CD 1 1
8 3946 1 1 24 . CG C 8.038 -4.349 -1.994 1.00 . A A . 24 HMR CG 1 1
8 3947 1 1 24 . CH2 C 6.537 -2.263 -3.604 1.00 . A A . 24 HMR CH2 1 1
8 3948 1 1 24 . CZ C 9.840 -7.596 -1.511 1.00 . A A . 24 HMR CZ 1 1
8 3949 1 1 24 . H H 4.444 -2.496 -1.603 1.00 . A A . 24 HMR H 1 1
8 3950 1 1 24 . HA H 7.229 -1.621 -1.642 1.00 . A A . 24 HMR HA 1 1
8 3951 1 1 24 . HB2 H 5.921 -4.376 -2.103 1.00 . A A . 24 HMR HB2 1 1
8 3952 1 1 24 . HB3 H 6.566 -3.824 -0.565 1.00 . A A . 24 HMR HB3 1 1
8 3953 1 1 24 . HC1 H 7.034 -3.149 -3.960 1.00 . A A . 24 HMR HC1 1 1
8 3954 1 1 24 . HC2 H 5.528 -2.248 -3.988 1.00 . A A . 24 HMR HC2 1 1
8 3955 1 1 24 . HD2 H 7.402 -6.380 -2.026 1.00 . A A . 24 HMR HD2 1 1
8 3956 1 1 24 . HD3 H 7.991 -5.821 -0.460 1.00 . A A . 24 HMR HD3 1 1
8 3957 1 1 24 . HE H 10.119 -5.767 -2.276 1.00 . A A . 24 HMR HE 1 1
8 3958 1 1 24 . HG2 H 8.810 -3.760 -1.524 1.00 . A A . 24 HMR HG2 1 1
8 3959 1 1 24 . HG3 H 8.160 -4.320 -3.065 1.00 . A A . 24 HMR HG3 1 1
8 3960 1 1 24 . HH1 H 11.704 -7.405 -2.278 1.00 . A A . 24 HMR HH1 1 1
8 3961 1 1 24 . HH2 H 11.341 -8.955 -1.588 1.00 . A A . 24 HMR HH2 1 1
8 3962 1 1 24 . HH21 H 8.066 -8.113 -0.672 1.00 . A A . 24 HMR HH21 1 1
8 3963 1 1 24 . HH22 H 9.275 -9.355 -0.676 1.00 . A A . 24 HMR HH22 1 1
8 3964 1 1 24 . N N 5.198 -1.863 -1.622 1.00 . A A . 24 HMR N 1 1
8 3965 1 1 24 . NE N 9.472 -6.353 -1.818 1.00 . A A . 24 HMR NE 1 1
8 3966 1 1 24 . NH1 N 11.059 -8.018 -1.817 1.00 . A A . 24 HMR NH1 1 1
8 3967 1 1 24 . NH2 N 8.992 -8.419 -0.906 1.00 . A A . 24 HMR NH2 1 1
8 3968 1 1 24 . O O 8.475 -1.098 -4.396 1.00 . A A . 24 HMR O 1 1
8 3969 1 1 25 THR C C 7.794 2.120 -3.974 1.00 . A A . 25 THR C 1 1
8 3970 1 1 25 THR CA C 7.040 1.230 -4.966 1.00 . A A . 25 THR CA 1 1
8 3971 1 1 25 THR CB C 5.910 2.040 -5.651 1.00 . A A . 25 THR CB 1 1
8 3972 1 1 25 THR CG2 C 4.916 2.596 -4.638 1.00 . A A . 25 THR CG2 1 1
8 3973 1 1 25 THR H H 5.582 0.012 -4.028 1.00 . A A . 25 THR H 1 1
8 3974 1 1 25 THR HA H 7.730 0.917 -5.732 1.00 . A A . 25 THR HA 1 1
8 3975 1 1 25 THR HB H 5.380 1.380 -6.321 1.00 . A A . 25 THR HB 1 1
8 3976 1 1 25 THR HG1 H 6.993 2.772 -7.140 1.00 . A A . 25 THR HG1 1 1
8 3977 1 1 25 THR HG21 H 4.437 1.780 -4.118 1.00 . A A . 25 THR HG21 1 1
8 3978 1 1 25 THR HG22 H 4.170 3.183 -5.151 1.00 . A A . 25 THR HG22 1 1
8 3979 1 1 25 THR HG23 H 5.438 3.220 -3.926 1.00 . A A . 25 THR HG23 1 1
8 3980 1 1 25 THR N N 6.519 0.027 -4.331 1.00 . A A . 25 THR N 1 1
8 3981 1 1 25 THR O O 8.718 2.839 -4.356 1.00 . A A . 25 THR O 1 1
8 3982 1 1 25 THR OG1 O 6.459 3.124 -6.413 1.00 . A A . 25 THR OG1 1 1
8 3983 1 1 26 HIS C C 9.105 2.052 -0.946 1.00 . A A . 26 HIS C 1 1
8 3984 1 1 26 HIS CA C 8.082 2.891 -1.694 1.00 . A A . 26 HIS CA 1 1
8 3985 1 1 26 HIS CB C 7.101 3.465 -0.665 1.00 . A A . 26 HIS CB 1 1
8 3986 1 1 26 HIS CD2 C 4.582 3.742 -1.066 1.00 . A A . 26 HIS CD2 1 1
8 3987 1 1 26 HIS CE1 C 4.553 5.609 -2.185 1.00 . A A . 26 HIS CE1 1 1
8 3988 1 1 26 HIS CG C 5.871 4.114 -1.218 1.00 . A A . 26 HIS CG 1 1
8 3989 1 1 26 HIS H H 6.683 1.473 -2.433 1.00 . A A . 26 HIS H 1 1
8 3990 1 1 26 HIS HA H 8.588 3.701 -2.196 1.00 . A A . 26 HIS HA 1 1
8 3991 1 1 26 HIS HB2 H 6.774 2.665 -0.018 1.00 . A A . 26 HIS HB2 1 1
8 3992 1 1 26 HIS HB3 H 7.620 4.201 -0.067 1.00 . A A . 26 HIS HB3 1 1
8 3993 1 1 26 HIS HD1 H 6.629 5.833 -2.222 1.00 . A A . 26 HIS HD1 1 1
8 3994 1 1 26 HIS HD2 H 4.228 2.857 -0.563 1.00 . A A . 26 HIS HD2 1 1
8 3995 1 1 26 HIS HE1 H 4.207 6.483 -2.716 1.00 . A A . 26 HIS HE1 1 1
8 3996 1 1 26 HIS N N 7.414 2.075 -2.702 1.00 . A A . 26 HIS N 1 1
8 3997 1 1 26 HIS ND1 N 5.846 5.306 -1.943 1.00 . A A . 26 HIS ND1 1 1
8 3998 1 1 26 HIS NE2 N 3.784 4.686 -1.668 1.00 . A A . 26 HIS NE2 1 1
8 3999 1 1 26 HIS O O 10.250 2.467 -0.746 1.00 . A A . 26 HIS O 1 1
8 4000 1 1 27 . C C 11.534 -1.495 -0.316 1.00 . A A . 27 B3T C 1 1
8 4001 1 1 27 . CA C 10.125 -1.098 -0.714 1.00 . A A . 27 B3T CA 1 1
8 4002 1 1 27 . CB C 9.532 -0.038 0.217 1.00 . A A . 27 B3T CB 1 1
8 4003 1 1 27 . CD2 C 8.347 0.349 2.400 1.00 . A A . 27 B3T CD2 1 1
8 4004 1 1 27 . CG C 8.761 -0.690 1.371 1.00 . A A . 27 B3T CG 1 1
8 4005 1 1 27 . H1D2 H 9.226 0.832 2.797 1.00 . A A . 27 B3T H1D2 1 1
8 4006 1 1 27 . H2D2 H 7.807 -0.132 3.200 1.00 . A A . 27 B3T H2D2 1 1
8 4007 1 1 27 . H3D2 H 7.714 1.086 1.928 1.00 . A A . 27 B3T H3D2 1 1
8 4008 1 1 27 . HA H 10.151 -0.708 -1.721 1.00 . A A . 27 B3T HA 1 1
8 4009 1 1 27 . HAA H 9.499 -1.976 -0.688 1.00 . A A . 27 B3T HAA 1 1
8 4010 1 1 27 . HB H 10.329 0.533 0.652 1.00 . A A . 27 B3T HB 1 1
8 4011 1 1 27 . HG H 9.406 -1.412 1.849 1.00 . A A . 27 B3T HG 1 1
8 4012 1 1 27 . HN H 7.751 0.600 -0.724 1.00 . A A . 27 B3T HN 1 1
8 4013 1 1 27 . HOD1 H 7.696 -2.313 1.010 1.00 . A A . 27 B3T HOD1 1 1
8 4014 1 1 27 . N N 8.676 0.871 -0.529 1.00 . A A . 27 B3T N 1 1
8 4015 1 1 27 . O O 12.279 -0.700 0.262 1.00 . A A . 27 B3T O 1 1
8 4016 1 1 27 . OD1 O 7.601 -1.360 0.870 1.00 . A A . 27 B3T OD1 1 1
8 4017 1 1 28 GLY C C 13.145 -4.014 1.057 1.00 . A A . 28 GLY C 1 1
8 4018 1 1 28 GLY CA C 13.206 -3.228 -0.235 1.00 . A A . 28 GLY CA 1 1
8 4019 1 1 28 GLY H H 11.290 -3.310 -1.118 1.00 . A A . 28 GLY H 1 1
8 4020 1 1 28 GLY HA2 H 13.584 -3.868 -1.017 1.00 . A A . 28 GLY HA2 1 1
8 4021 1 1 28 GLY HA3 H 13.878 -2.394 -0.107 1.00 . A A . 28 GLY HA3 1 1
8 4022 1 1 28 GLY N N 11.904 -2.730 -0.622 1.00 . A A . 28 GLY N 1 1
8 4023 1 1 28 GLY O O 13.081 -5.244 1.041 1.00 . A A . 28 GLY O 1 1
8 4024 1 1 29 GLU C C 11.711 -4.511 3.754 1.00 . A A . 29 GLU C 1 1
8 4025 1 1 29 GLU CA C 13.098 -3.941 3.484 1.00 . A A . 29 GLU CA 1 1
8 4026 1 1 29 GLU CB C 13.479 -2.952 4.595 1.00 . A A . 29 GLU CB 1 1
8 4027 1 1 29 GLU CD C 14.989 -1.228 3.494 1.00 . A A . 29 GLU CD 1 1
8 4028 1 1 29 GLU CG C 14.886 -2.379 4.477 1.00 . A A . 29 GLU CG 1 1
8 4029 1 1 29 GLU H H 13.173 -2.325 2.121 1.00 . A A . 29 GLU H 1 1
8 4030 1 1 29 GLU HA H 13.810 -4.753 3.477 1.00 . A A . 29 GLU HA 1 1
8 4031 1 1 29 GLU HB2 H 12.780 -2.131 4.582 1.00 . A A . 29 GLU HB2 1 1
8 4032 1 1 29 GLU HB3 H 13.400 -3.455 5.547 1.00 . A A . 29 GLU HB3 1 1
8 4033 1 1 29 GLU HG2 H 15.194 -2.025 5.448 1.00 . A A . 29 GLU HG2 1 1
8 4034 1 1 29 GLU HG3 H 15.552 -3.166 4.156 1.00 . A A . 29 GLU HG3 1 1
8 4035 1 1 29 GLU N N 13.142 -3.305 2.176 1.00 . A A . 29 GLU N 1 1
8 4036 1 1 29 GLU O O 11.566 -5.676 4.135 1.00 . A A . 29 GLU O 1 1
8 4037 1 1 29 GLU OE1 O 14.791 -0.067 3.909 1.00 . A A . 29 GLU OE1 1 1
8 4038 1 1 29 GLU OE2 O 15.284 -1.474 2.306 1.00 . A A . 29 GLU OE2 1 1
8 4039 1 1 30 LYS C C 8.729 -4.651 2.468 1.00 . A A . 30 LYS C 1 1
8 4040 1 1 30 LYS CA C 9.317 -4.117 3.767 1.00 . A A . 30 LYS CA 1 1
8 4041 1 1 30 LYS CB C 8.465 -2.960 4.303 1.00 . A A . 30 LYS CB 1 1
8 4042 1 1 30 LYS CD C 6.168 -2.126 4.923 1.00 . A A . 30 LYS CD 1 1
8 4043 1 1 30 LYS CE C 6.620 -1.438 6.205 1.00 . A A . 30 LYS CE 1 1
8 4044 1 1 30 LYS CG C 7.021 -3.344 4.596 1.00 . A A . 30 LYS CG 1 1
8 4045 1 1 30 LYS H H 10.867 -2.772 3.249 1.00 . A A . 30 LYS H 1 1
8 4046 1 1 30 LYS HA H 9.328 -4.916 4.498 1.00 . A A . 30 LYS HA 1 1
8 4047 1 1 30 LYS HB2 H 8.908 -2.594 5.218 1.00 . A A . 30 LYS HB2 1 1
8 4048 1 1 30 LYS HB3 H 8.460 -2.163 3.576 1.00 . A A . 30 LYS HB3 1 1
8 4049 1 1 30 LYS HD2 H 6.240 -1.422 4.107 1.00 . A A . 30 LYS HD2 1 1
8 4050 1 1 30 LYS HD3 H 5.140 -2.441 5.038 1.00 . A A . 30 LYS HD3 1 1
8 4051 1 1 30 LYS HE2 H 7.666 -1.190 6.115 1.00 . A A . 30 LYS HE2 1 1
8 4052 1 1 30 LYS HE3 H 6.047 -0.533 6.333 1.00 . A A . 30 LYS HE3 1 1
8 4053 1 1 30 LYS HG2 H 6.607 -3.835 3.727 1.00 . A A . 30 LYS HG2 1 1
8 4054 1 1 30 LYS HG3 H 7.003 -4.022 5.437 1.00 . A A . 30 LYS HG3 1 1
8 4055 1 1 30 LYS HZ1 H 7.039 -3.146 7.333 1.00 . A A . 30 LYS HZ1 1 1
8 4056 1 1 30 LYS HZ2 H 5.442 -2.610 7.469 1.00 . A A . 30 LYS HZ2 1 1
8 4057 1 1 30 LYS HZ3 H 6.680 -1.781 8.262 1.00 . A A . 30 LYS HZ3 1 1
8 4058 1 1 30 LYS N N 10.691 -3.689 3.556 1.00 . A A . 30 LYS N 1 1
8 4059 1 1 30 LYS NZ N 6.432 -2.304 7.399 1.00 . A A . 30 LYS NZ 1 1
8 4060 1 1 30 LYS O O 8.217 -3.897 1.640 1.00 . A A . 30 LYS O 1 1
8 4061 1 1 31 NH2 HN1 H 9.236 -6.494 2.988 1.00 . A A . 31 NH2 HN1 1 1
8 4062 1 1 31 NH2 HN2 H 8.447 -6.331 1.458 1.00 . A A . 31 NH2 HN2 1 1
8 4063 1 1 31 NH2 N N 8.814 -5.955 2.285 1.00 . A A . 31 NH2 N 1 1
8 4064 2 2 1 ZN ZN ZN 1.792 4.613 -1.689 1.00 . B A . 101 ZN ZN 1 1
9 4065 1 1 1 PRO C C -9.238 0.641 3.924 1.00 . A A . 1 PRO C 1 1
9 4066 1 1 1 PRO CA C -10.700 0.334 3.615 1.00 . A A . 1 PRO CA 1 1
9 4067 1 1 1 PRO CB C -10.938 -1.170 3.639 1.00 . A A . 1 PRO CB 1 1
9 4068 1 1 1 PRO CD C -11.878 -0.210 1.652 1.00 . A A . 1 PRO CD 1 1
9 4069 1 1 1 PRO CG C -11.327 -1.488 2.239 1.00 . A A . 1 PRO CG 1 1
9 4070 1 1 1 PRO H2 H -10.207 1.135 1.824 1.00 . A A . 1 PRO H2 1 1
9 4071 1 1 1 PRO H3 H -11.548 1.778 2.495 1.00 . A A . 1 PRO H3 1 1
9 4072 1 1 1 PRO HA H -11.322 0.804 4.362 1.00 . A A . 1 PRO HA 1 1
9 4073 1 1 1 PRO HB2 H -10.029 -1.678 3.928 1.00 . A A . 1 PRO HB2 1 1
9 4074 1 1 1 PRO HB3 H -11.732 -1.408 4.332 1.00 . A A . 1 PRO HB3 1 1
9 4075 1 1 1 PRO HD2 H -11.741 -0.200 0.581 1.00 . A A . 1 PRO HD2 1 1
9 4076 1 1 1 PRO HD3 H -12.924 -0.107 1.896 1.00 . A A . 1 PRO HD3 1 1
9 4077 1 1 1 PRO HG2 H -10.463 -1.814 1.682 1.00 . A A . 1 PRO HG2 1 1
9 4078 1 1 1 PRO HG3 H -12.086 -2.255 2.238 1.00 . A A . 1 PRO HG3 1 1
9 4079 1 1 1 PRO N N -11.089 0.860 2.289 1.00 . A A . 1 PRO N 1 1
9 4080 1 1 1 PRO O O -8.936 1.359 4.874 1.00 . A A . 1 PRO O 1 1
9 4081 1 1 2 PHE C C -6.410 1.511 2.589 1.00 . A A . 2 PHE C 1 1
9 4082 1 1 2 PHE CA C -6.908 0.286 3.348 1.00 . A A . 2 PHE CA 1 1
9 4083 1 1 2 PHE CB C -6.132 -0.962 2.915 1.00 . A A . 2 PHE CB 1 1
9 4084 1 1 2 PHE CD1 C -7.447 -3.100 3.045 1.00 . A A . 2 PHE CD1 1 1
9 4085 1 1 2 PHE CD2 C -6.098 -2.482 4.911 1.00 . A A . 2 PHE CD2 1 1
9 4086 1 1 2 PHE CE1 C -7.853 -4.240 3.711 1.00 . A A . 2 PHE CE1 1 1
9 4087 1 1 2 PHE CE2 C -6.499 -3.623 5.580 1.00 . A A . 2 PHE CE2 1 1
9 4088 1 1 2 PHE CG C -6.566 -2.208 3.636 1.00 . A A . 2 PHE CG 1 1
9 4089 1 1 2 PHE CZ C -7.377 -4.502 4.979 1.00 . A A . 2 PHE CZ 1 1
9 4090 1 1 2 PHE H H -8.626 -0.420 2.333 1.00 . A A . 2 PHE H 1 1
9 4091 1 1 2 PHE HA H -6.760 0.444 4.405 1.00 . A A . 2 PHE HA 1 1
9 4092 1 1 2 PHE HB2 H -6.276 -1.120 1.857 1.00 . A A . 2 PHE HB2 1 1
9 4093 1 1 2 PHE HB3 H -5.080 -0.813 3.112 1.00 . A A . 2 PHE HB3 1 1
9 4094 1 1 2 PHE HD1 H -7.818 -2.900 2.051 1.00 . A A . 2 PHE HD1 1 1
9 4095 1 1 2 PHE HD2 H -5.413 -1.794 5.381 1.00 . A A . 2 PHE HD2 1 1
9 4096 1 1 2 PHE HE1 H -8.540 -4.926 3.240 1.00 . A A . 2 PHE HE1 1 1
9 4097 1 1 2 PHE HE2 H -6.126 -3.828 6.573 1.00 . A A . 2 PHE HE2 1 1
9 4098 1 1 2 PHE HZ H -7.692 -5.394 5.501 1.00 . A A . 2 PHE HZ 1 1
9 4099 1 1 2 PHE N N -8.333 0.101 3.116 1.00 . A A . 2 PHE N 1 1
9 4100 1 1 2 PHE O O -6.890 1.796 1.497 1.00 . A A . 2 PHE O 1 1
9 4101 1 1 3 . C C -3.471 3.747 2.727 1.00 . A A . 3 9KK C 1 1
9 4102 1 1 3 . CA C -4.948 3.460 2.466 1.00 . A A . 3 9KK CA 1 1
9 4103 1 1 3 . CB C -5.804 4.604 3.006 1.00 . A A . 3 9KK CB 1 1
9 4104 1 1 3 . CD C -6.393 7.047 2.863 1.00 . A A . 3 9KK CD 1 1
9 4105 1 1 3 . CE C -6.082 8.343 2.145 1.00 . A A . 3 9KK CE 1 1
9 4106 1 1 3 . CG C -5.476 5.943 2.365 1.00 . A A . 3 9KK CG 1 1
9 4107 1 1 3 . CM C -4.952 1.927 4.498 1.00 . A A . 3 9KK CM 1 1
9 4108 1 1 3 . HA H -5.102 3.380 1.400 1.00 . A A . 3 9KK HA 1 1
9 4109 1 1 3 . HB2 H -5.642 4.687 4.071 1.00 . A A . 3 9KK HB2 1 1
9 4110 1 1 3 . HB3 H -6.844 4.379 2.823 1.00 . A A . 3 9KK HB3 1 1
9 4111 1 1 3 . HD2 H -6.242 7.191 3.923 1.00 . A A . 3 9KK HD2 1 1
9 4112 1 1 3 . HD3 H -7.420 6.779 2.667 1.00 . A A . 3 9KK HD3 1 1
9 4113 1 1 3 . HE1 H -5.058 8.629 2.341 1.00 . A A . 3 9KK HE1 1 1
9 4114 1 1 3 . HE2 H -6.746 9.118 2.499 1.00 . A A . 3 9KK HE2 1 1
9 4115 1 1 3 . HE3 H -6.221 8.210 1.083 1.00 . A A . 3 9KK HE3 1 1
9 4116 1 1 3 . HG2 H -5.581 5.852 1.294 1.00 . A A . 3 9KK HG2 1 1
9 4117 1 1 3 . HG3 H -4.454 6.202 2.606 1.00 . A A . 3 9KK HG3 1 1
9 4118 1 1 3 . HM1 H -4.051 2.489 4.692 1.00 . A A . 3 9KK HM1 1 1
9 4119 1 1 3 . HM2 H -4.733 0.870 4.538 1.00 . A A . 3 9KK HM2 1 1
9 4120 1 1 3 . HM3 H -5.695 2.171 5.243 1.00 . A A . 3 9KK HM3 1 1
9 4121 1 1 3 . N N -5.465 2.273 3.158 1.00 . A A . 3 9KK N 1 1
9 4122 1 1 3 . O O -3.052 4.013 3.859 1.00 . A A . 3 9KK O 1 1
9 4123 1 1 4 CYS C C -1.155 5.556 2.051 1.00 . A A . 4 CYS C 1 1
9 4124 1 1 4 CYS CA C -1.290 4.074 1.741 1.00 . A A . 4 CYS CA 1 1
9 4125 1 1 4 CYS CB C -0.567 3.758 0.431 1.00 . A A . 4 CYS CB 1 1
9 4126 1 1 4 CYS H H -3.078 3.476 0.794 1.00 . A A . 4 CYS H 1 1
9 4127 1 1 4 CYS HA H -0.844 3.504 2.540 1.00 . A A . 4 CYS HA 1 1
9 4128 1 1 4 CYS HB2 H -0.577 2.690 0.266 1.00 . A A . 4 CYS HB2 1 1
9 4129 1 1 4 CYS HB3 H -1.075 4.250 -0.383 1.00 . A A . 4 CYS HB3 1 1
9 4130 1 1 4 CYS N N -2.690 3.719 1.662 1.00 . A A . 4 CYS N 1 1
9 4131 1 1 4 CYS O O -1.367 6.401 1.183 1.00 . A A . 4 CYS O 1 1
9 4132 1 1 4 CYS SG S 1.153 4.307 0.428 1.00 . A A . 4 CYS SG 1 1
9 4133 1 1 5 THR C C 0.797 7.637 3.769 1.00 . A A . 5 THR C 1 1
9 4134 1 1 5 THR CA C -0.681 7.249 3.708 1.00 . A A . 5 THR CA 1 1
9 4135 1 1 5 THR CB C -1.359 7.471 5.076 1.00 . A A . 5 THR CB 1 1
9 4136 1 1 5 THR CG2 C -1.713 8.939 5.278 1.00 . A A . 5 THR CG2 1 1
9 4137 1 1 5 THR H H -0.641 5.153 3.937 1.00 . A A . 5 THR H 1 1
9 4138 1 1 5 THR HA H -1.178 7.869 2.975 1.00 . A A . 5 THR HA 1 1
9 4139 1 1 5 THR HB H -0.683 7.161 5.859 1.00 . A A . 5 THR HB 1 1
9 4140 1 1 5 THR HG1 H -2.632 6.149 4.343 1.00 . A A . 5 THR HG1 1 1
9 4141 1 1 5 THR HG21 H -2.392 9.256 4.500 1.00 . A A . 5 THR HG21 1 1
9 4142 1 1 5 THR HG22 H -0.813 9.535 5.236 1.00 . A A . 5 THR HG22 1 1
9 4143 1 1 5 THR HG23 H -2.184 9.065 6.242 1.00 . A A . 5 THR HG23 1 1
9 4144 1 1 5 THR N N -0.814 5.869 3.288 1.00 . A A . 5 THR N 1 1
9 4145 1 1 5 THR O O 1.234 8.360 4.664 1.00 . A A . 5 THR O 1 1
9 4146 1 1 5 THR OG1 O -2.559 6.683 5.143 1.00 . A A . 5 THR OG1 1 1
9 4147 1 1 6 TRP C C 3.119 8.948 2.384 1.00 . A A . 6 TRP C 1 1
9 4148 1 1 6 TRP CA C 2.976 7.464 2.695 1.00 . A A . 6 TRP CA 1 1
9 4149 1 1 6 TRP CB C 3.626 6.619 1.592 1.00 . A A . 6 TRP CB 1 1
9 4150 1 1 6 TRP CD1 C 5.814 7.707 0.822 1.00 . A A . 6 TRP CD1 1 1
9 4151 1 1 6 TRP CD2 C 6.093 5.899 2.108 1.00 . A A . 6 TRP CD2 1 1
9 4152 1 1 6 TRP CE2 C 7.360 6.399 1.754 1.00 . A A . 6 TRP CE2 1 1
9 4153 1 1 6 TRP CE3 C 6.019 4.760 2.914 1.00 . A A . 6 TRP CE3 1 1
9 4154 1 1 6 TRP CG C 5.116 6.755 1.505 1.00 . A A . 6 TRP CG 1 1
9 4155 1 1 6 TRP CH2 C 8.439 4.686 2.967 1.00 . A A . 6 TRP CH2 1 1
9 4156 1 1 6 TRP CZ2 C 8.542 5.800 2.181 1.00 . A A . 6 TRP CZ2 1 1
9 4157 1 1 6 TRP CZ3 C 7.193 4.166 3.334 1.00 . A A . 6 TRP CZ3 1 1
9 4158 1 1 6 TRP H H 1.171 6.516 2.159 1.00 . A A . 6 TRP H 1 1
9 4159 1 1 6 TRP HA H 3.454 7.252 3.639 1.00 . A A . 6 TRP HA 1 1
9 4160 1 1 6 TRP HB2 H 3.400 5.579 1.765 1.00 . A A . 6 TRP HB2 1 1
9 4161 1 1 6 TRP HB3 H 3.213 6.914 0.642 1.00 . A A . 6 TRP HB3 1 1
9 4162 1 1 6 TRP HD1 H 5.355 8.504 0.256 1.00 . A A . 6 TRP HD1 1 1
9 4163 1 1 6 TRP HE1 H 7.869 8.062 0.578 1.00 . A A . 6 TRP HE1 1 1
9 4164 1 1 6 TRP HE3 H 5.069 4.344 3.206 1.00 . A A . 6 TRP HE3 1 1
9 4165 1 1 6 TRP HH2 H 9.330 4.188 3.319 1.00 . A A . 6 TRP HH2 1 1
9 4166 1 1 6 TRP HZ2 H 9.511 6.189 1.908 1.00 . A A . 6 TRP HZ2 1 1
9 4167 1 1 6 TRP HZ3 H 7.157 3.285 3.955 1.00 . A A . 6 TRP HZ3 1 1
9 4168 1 1 6 TRP N N 1.566 7.128 2.810 1.00 . A A . 6 TRP N 1 1
9 4169 1 1 6 TRP NE1 N 7.162 7.506 0.971 1.00 . A A . 6 TRP NE1 1 1
9 4170 1 1 6 TRP O O 2.246 9.536 1.748 1.00 . A A . 6 TRP O 1 1
9 4171 1 1 7 ABA C C 4.479 11.268 1.127 1.00 . A A . 7 AIB C 1 1
9 4172 1 1 7 ABA CA C 4.497 10.960 2.635 1.00 . A A . 7 AIB CA 1 1
9 4173 1 1 7 ABA H H 4.848 9.002 3.365 1.00 . A A . 7 AIB H 1 1
9 4174 1 1 7 ABA N N 4.209 9.539 2.854 1.00 . A A . 7 AIB N 1 1
9 4175 1 1 7 ABA O O 5.346 10.805 0.386 1.00 . A A . 7 AIB O 1 1
9 4176 1 1 8 GLY C C 2.509 11.466 -1.514 1.00 . A A . 8 GLY C 1 1
9 4177 1 1 8 GLY CA C 3.405 12.398 -0.722 1.00 . A A . 8 GLY CA 1 1
9 4178 1 1 8 GLY H H 2.809 12.359 1.306 1.00 . A A . 8 GLY H 1 1
9 4179 1 1 8 GLY HA2 H 3.017 13.403 -0.799 1.00 . A A . 8 GLY HA2 1 1
9 4180 1 1 8 GLY HA3 H 4.398 12.372 -1.146 1.00 . A A . 8 GLY HA3 1 1
9 4181 1 1 8 GLY N N 3.489 12.035 0.679 1.00 . A A . 8 GLY N 1 1
9 4182 1 1 8 GLY O O 2.301 11.658 -2.714 1.00 . A A . 8 GLY O 1 1
9 4183 1 1 9 CYS C C -0.278 9.544 -0.874 1.00 . A A . 9 CYS C 1 1
9 4184 1 1 9 CYS CA C 1.122 9.475 -1.481 1.00 . A A . 9 CYS CA 1 1
9 4185 1 1 9 CYS CB C 1.722 8.082 -1.292 1.00 . A A . 9 CYS CB 1 1
9 4186 1 1 9 CYS H H 2.168 10.370 0.114 1.00 . A A . 9 CYS H 1 1
9 4187 1 1 9 CYS HA H 1.068 9.704 -2.534 1.00 . A A . 9 CYS HA 1 1
9 4188 1 1 9 CYS HB2 H 2.785 8.130 -1.464 1.00 . A A . 9 CYS HB2 1 1
9 4189 1 1 9 CYS HB3 H 1.543 7.765 -0.275 1.00 . A A . 9 CYS HB3 1 1
9 4190 1 1 9 CYS N N 1.978 10.458 -0.845 1.00 . A A . 9 CYS N 1 1
9 4191 1 1 9 CYS O O -0.586 10.469 -0.123 1.00 . A A . 9 CYS O 1 1
9 4192 1 1 9 CYS SG S 1.049 6.808 -2.385 1.00 . A A . 9 CYS SG 1 1
9 4193 1 1 10 GLY C C -3.377 7.686 -1.566 1.00 . A A . 10 GLY C 1 1
9 4194 1 1 10 GLY CA C -2.478 8.553 -0.711 1.00 . A A . 10 GLY CA 1 1
9 4195 1 1 10 GLY H H -0.796 7.845 -1.784 1.00 . A A . 10 GLY H 1 1
9 4196 1 1 10 GLY HA2 H -2.483 8.176 0.301 1.00 . A A . 10 GLY HA2 1 1
9 4197 1 1 10 GLY HA3 H -2.863 9.563 -0.710 1.00 . A A . 10 GLY HA3 1 1
9 4198 1 1 10 GLY N N -1.113 8.569 -1.202 1.00 . A A . 10 GLY N 1 1
9 4199 1 1 10 GLY O O -4.340 8.169 -2.159 1.00 . A A . 10 GLY O 1 1
9 4200 1 1 11 LYS C C -4.646 4.527 -1.637 1.00 . A A . 11 LYS C 1 1
9 4201 1 1 11 LYS CA C -3.793 5.469 -2.487 1.00 . A A . 11 LYS CA 1 1
9 4202 1 1 11 LYS CB C -2.810 4.657 -3.339 1.00 . A A . 11 LYS CB 1 1
9 4203 1 1 11 LYS CD C -2.672 6.301 -5.243 1.00 . A A . 11 LYS CD 1 1
9 4204 1 1 11 LYS CE C -1.748 7.073 -6.171 1.00 . A A . 11 LYS CE 1 1
9 4205 1 1 11 LYS CG C -1.893 5.503 -4.211 1.00 . A A . 11 LYS CG 1 1
9 4206 1 1 11 LYS H H -2.330 6.060 -1.079 1.00 . A A . 11 LYS H 1 1
9 4207 1 1 11 LYS HA H -4.437 6.044 -3.132 1.00 . A A . 11 LYS HA 1 1
9 4208 1 1 11 LYS HB2 H -2.194 4.063 -2.680 1.00 . A A . 11 LYS HB2 1 1
9 4209 1 1 11 LYS HB3 H -3.372 3.994 -3.981 1.00 . A A . 11 LYS HB3 1 1
9 4210 1 1 11 LYS HD2 H -3.269 5.622 -5.831 1.00 . A A . 11 LYS HD2 1 1
9 4211 1 1 11 LYS HD3 H -3.316 7.000 -4.732 1.00 . A A . 11 LYS HD3 1 1
9 4212 1 1 11 LYS HE2 H -1.147 7.751 -5.582 1.00 . A A . 11 LYS HE2 1 1
9 4213 1 1 11 LYS HE3 H -1.104 6.374 -6.683 1.00 . A A . 11 LYS HE3 1 1
9 4214 1 1 11 LYS HG2 H -1.347 6.189 -3.581 1.00 . A A . 11 LYS HG2 1 1
9 4215 1 1 11 LYS HG3 H -1.199 4.851 -4.721 1.00 . A A . 11 LYS HG3 1 1
9 4216 1 1 11 LYS HZ1 H -3.104 7.222 -7.748 1.00 . A A . 11 LYS HZ1 1 1
9 4217 1 1 11 LYS HZ2 H -1.852 8.356 -7.814 1.00 . A A . 11 LYS HZ2 1 1
9 4218 1 1 11 LYS HZ3 H -3.116 8.556 -6.707 1.00 . A A . 11 LYS HZ3 1 1
9 4219 1 1 11 LYS N N -3.061 6.399 -1.633 1.00 . A A . 11 LYS N 1 1
9 4220 1 1 11 LYS NZ N -2.507 7.856 -7.181 1.00 . A A . 11 LYS NZ 1 1
9 4221 1 1 11 LYS O O -4.231 4.129 -0.552 1.00 . A A . 11 LYS O 1 1
9 4222 1 1 12 . C C -6.910 1.877 -1.947 1.00 . A A . 12 MMO C 1 1
9 4223 1 1 12 . CA C -6.723 3.261 -1.318 1.00 . A A . 12 MMO CA 1 1
9 4224 1 1 12 . CB C -8.051 4.014 -1.227 1.00 . A A . 12 MMO CB 1 1
9 4225 1 1 12 . CD C -9.303 6.003 -0.341 1.00 . A A . 12 MMO CD 1 1
9 4226 1 1 12 . CG C -7.978 5.266 -0.368 1.00 . A A . 12 MMO CG 1 1
9 4227 1 1 12 . CN C -6.290 4.625 -3.439 1.00 . A A . 12 MMO CN 1 1
9 4228 1 1 12 . CZ C -9.990 8.283 0.305 1.00 . A A . 12 MMO CZ 1 1
9 4229 1 1 12 . HA H -6.325 3.130 -0.322 1.00 . A A . 12 MMO HA 1 1
9 4230 1 1 12 . HC1 H -7.072 3.980 -3.810 1.00 . A A . 12 MMO HC1 1 1
9 4231 1 1 12 . HC2 H -5.455 4.606 -4.123 1.00 . A A . 12 MMO HC2 1 1
9 4232 1 1 12 . HC3 H -6.665 5.634 -3.357 1.00 . A A . 12 MMO HC3 1 1
9 4233 1 1 12 . HCB1 H -8.791 3.358 -0.799 1.00 . A A . 12 MMO HCB1 1 1
9 4234 1 1 12 . HCB2 H -8.364 4.297 -2.220 1.00 . A A . 12 MMO HCB2 1 1
9 4235 1 1 12 . HCD1 H -10.061 5.336 0.040 1.00 . A A . 12 MMO HCD1 1 1
9 4236 1 1 12 . HCD2 H -9.557 6.298 -1.347 1.00 . A A . 12 MMO HCD2 1 1
9 4237 1 1 12 . HCG1 H -7.216 5.922 -0.765 1.00 . A A . 12 MMO HCG1 1 1
9 4238 1 1 12 . HCG2 H -7.717 4.981 0.641 1.00 . A A . 12 MMO HCG2 1 1
9 4239 1 1 12 . HE H -8.637 7.172 1.271 1.00 . A A . 12 MMO HE 1 1
9 4240 1 1 12 . HH11 H -10.454 10.136 0.995 1.00 . A A . 12 MMO HH11 1 1
9 4241 1 1 12 . HH12 H -9.271 9.273 1.926 1.00 . A A . 12 MMO HH12 1 1
9 4242 1 1 12 . HH21 H -10.891 7.579 -1.371 1.00 . A A . 12 MMO HH21 1 1
9 4243 1 1 12 . HH22 H -11.374 9.173 -0.882 1.00 . A A . 12 MMO HH22 1 1
9 4244 1 1 12 . N N -5.847 4.150 -2.108 1.00 . A A . 12 MMO N 1 1
9 4245 1 1 12 . NE N -9.250 7.194 0.505 1.00 . A A . 12 MMO NE 1 1
9 4246 1 1 12 . NH1 N -9.897 9.311 1.142 1.00 . A A . 12 MMO NH1 1 1
9 4247 1 1 12 . NH2 N -10.819 8.350 -0.732 1.00 . A A . 12 MMO NH2 1 1
9 4248 1 1 12 . O O -6.937 1.724 -3.173 1.00 . A A . 12 MMO O 1 1
9 4249 1 1 13 PHE C C -8.057 -1.338 -0.721 1.00 . A A . 13 PHE C 1 1
9 4250 1 1 13 PHE CA C -7.049 -0.523 -1.522 1.00 . A A . 13 PHE CA 1 1
9 4251 1 1 13 PHE CB C -5.653 -1.123 -1.350 1.00 . A A . 13 PHE CB 1 1
9 4252 1 1 13 PHE CD1 C -4.405 -0.553 -3.442 1.00 . A A . 13 PHE CD1 1 1
9 4253 1 1 13 PHE CD2 C -3.811 0.564 -1.424 1.00 . A A . 13 PHE CD2 1 1
9 4254 1 1 13 PHE CE1 C -3.446 0.166 -4.124 1.00 . A A . 13 PHE CE1 1 1
9 4255 1 1 13 PHE CE2 C -2.850 1.282 -2.099 1.00 . A A . 13 PHE CE2 1 1
9 4256 1 1 13 PHE CG C -4.597 -0.361 -2.087 1.00 . A A . 13 PHE CG 1 1
9 4257 1 1 13 PHE CZ C -2.668 1.085 -3.452 1.00 . A A . 13 PHE CZ 1 1
9 4258 1 1 13 PHE H H -7.134 1.068 -0.135 1.00 . A A . 13 PHE H 1 1
9 4259 1 1 13 PHE HA H -7.321 -0.552 -2.565 1.00 . A A . 13 PHE HA 1 1
9 4260 1 1 13 PHE HB2 H -5.393 -1.123 -0.303 1.00 . A A . 13 PHE HB2 1 1
9 4261 1 1 13 PHE HB3 H -5.655 -2.137 -1.718 1.00 . A A . 13 PHE HB3 1 1
9 4262 1 1 13 PHE HD1 H -5.015 -1.273 -3.967 1.00 . A A . 13 PHE HD1 1 1
9 4263 1 1 13 PHE HD2 H -3.957 0.720 -0.367 1.00 . A A . 13 PHE HD2 1 1
9 4264 1 1 13 PHE HE1 H -3.303 0.009 -5.181 1.00 . A A . 13 PHE HE1 1 1
9 4265 1 1 13 PHE HE2 H -2.243 2.000 -1.570 1.00 . A A . 13 PHE HE2 1 1
9 4266 1 1 13 PHE HZ H -1.917 1.650 -3.984 1.00 . A A . 13 PHE HZ 1 1
9 4267 1 1 13 PHE N N -7.037 0.868 -1.093 1.00 . A A . 13 PHE N 1 1
9 4268 1 1 13 PHE O O -8.454 -0.958 0.388 1.00 . A A . 13 PHE O 1 1
9 4269 1 1 14 THR C C -8.801 -4.454 0.112 1.00 . A A . 14 THR C 1 1
9 4270 1 1 14 THR CA C -9.454 -3.336 -0.700 1.00 . A A . 14 THR CA 1 1
9 4271 1 1 14 THR CB C -10.353 -3.947 -1.797 1.00 . A A . 14 THR CB 1 1
9 4272 1 1 14 THR CG2 C -11.501 -4.745 -1.195 1.00 . A A . 14 THR CG2 1 1
9 4273 1 1 14 THR H H -8.043 -2.736 -2.150 1.00 . A A . 14 THR H 1 1
9 4274 1 1 14 THR HA H -10.070 -2.741 -0.045 1.00 . A A . 14 THR HA 1 1
9 4275 1 1 14 THR HB H -9.754 -4.610 -2.405 1.00 . A A . 14 THR HB 1 1
9 4276 1 1 14 THR HG1 H -10.389 -2.876 -3.458 1.00 . A A . 14 THR HG1 1 1
9 4277 1 1 14 THR HG21 H -12.118 -5.144 -1.986 1.00 . A A . 14 THR HG21 1 1
9 4278 1 1 14 THR HG22 H -12.096 -4.101 -0.564 1.00 . A A . 14 THR HG22 1 1
9 4279 1 1 14 THR HG23 H -11.102 -5.556 -0.604 1.00 . A A . 14 THR HG23 1 1
9 4280 1 1 14 THR N N -8.450 -2.469 -1.293 1.00 . A A . 14 THR N 1 1
9 4281 1 1 14 THR O O -9.375 -4.946 1.086 1.00 . A A . 14 THR O 1 1
9 4282 1 1 14 THR OG1 O -10.883 -2.901 -2.627 1.00 . A A . 14 THR OG1 1 1
9 4283 1 1 15 ARG C C -5.563 -5.379 0.976 1.00 . A A . 15 ARG C 1 1
9 4284 1 1 15 ARG CA C -6.881 -5.906 0.414 1.00 . A A . 15 ARG CA 1 1
9 4285 1 1 15 ARG CB C -6.607 -7.072 -0.534 1.00 . A A . 15 ARG CB 1 1
9 4286 1 1 15 ARG CD C -8.767 -8.343 -0.177 1.00 . A A . 15 ARG CD 1 1
9 4287 1 1 15 ARG CG C -7.853 -7.659 -1.184 1.00 . A A . 15 ARG CG 1 1
9 4288 1 1 15 ARG CZ C -10.666 -9.925 -0.281 1.00 . A A . 15 ARG CZ 1 1
9 4289 1 1 15 ARG H H -7.191 -4.432 -1.077 1.00 . A A . 15 ARG H 1 1
9 4290 1 1 15 ARG HA H -7.499 -6.246 1.231 1.00 . A A . 15 ARG HA 1 1
9 4291 1 1 15 ARG HB2 H -5.948 -6.731 -1.315 1.00 . A A . 15 ARG HB2 1 1
9 4292 1 1 15 ARG HB3 H -6.113 -7.857 0.019 1.00 . A A . 15 ARG HB3 1 1
9 4293 1 1 15 ARG HD2 H -8.203 -9.095 0.355 1.00 . A A . 15 ARG HD2 1 1
9 4294 1 1 15 ARG HD3 H -9.131 -7.607 0.523 1.00 . A A . 15 ARG HD3 1 1
9 4295 1 1 15 ARG HE H -10.114 -8.684 -1.751 1.00 . A A . 15 ARG HE 1 1
9 4296 1 1 15 ARG HG2 H -8.403 -6.862 -1.663 1.00 . A A . 15 ARG HG2 1 1
9 4297 1 1 15 ARG HG3 H -7.549 -8.381 -1.928 1.00 . A A . 15 ARG HG3 1 1
9 4298 1 1 15 ARG HH11 H -9.681 -9.939 1.490 1.00 . A A . 15 ARG HH11 1 1
9 4299 1 1 15 ARG HH12 H -11.005 -11.054 1.370 1.00 . A A . 15 ARG HH12 1 1
9 4300 1 1 15 ARG HH21 H -11.856 -10.148 -1.908 1.00 . A A . 15 ARG HH21 1 1
9 4301 1 1 15 ARG HH22 H -12.245 -11.166 -0.558 1.00 . A A . 15 ARG HH22 1 1
9 4302 1 1 15 ARG N N -7.601 -4.851 -0.286 1.00 . A A . 15 ARG N 1 1
9 4303 1 1 15 ARG NE N -9.908 -8.978 -0.834 1.00 . A A . 15 ARG NE 1 1
9 4304 1 1 15 ARG NH1 N -10.432 -10.337 0.959 1.00 . A A . 15 ARG NH1 1 1
9 4305 1 1 15 ARG NH2 N -11.668 -10.456 -0.970 1.00 . A A . 15 ARG NH2 1 1
9 4306 1 1 15 ARG O O -4.844 -4.624 0.312 1.00 . A A . 15 ARG O 1 1
9 4307 1 1 16 SER C C -2.808 -5.912 2.181 1.00 . A A . 16 SER C 1 1
9 4308 1 1 16 SER CA C -4.041 -5.364 2.887 1.00 . A A . 16 SER CA 1 1
9 4309 1 1 16 SER CB C -4.059 -5.815 4.352 1.00 . A A . 16 SER CB 1 1
9 4310 1 1 16 SER H H -5.860 -6.419 2.658 1.00 . A A . 16 SER H 1 1
9 4311 1 1 16 SER HA H -4.007 -4.285 2.850 1.00 . A A . 16 SER HA 1 1
9 4312 1 1 16 SER HB2 H -4.995 -5.525 4.804 1.00 . A A . 16 SER HB2 1 1
9 4313 1 1 16 SER HB3 H -3.957 -6.888 4.395 1.00 . A A . 16 SER HB3 1 1
9 4314 1 1 16 SER HG H -3.137 -4.272 5.152 1.00 . A A . 16 SER HG 1 1
9 4315 1 1 16 SER N N -5.253 -5.796 2.202 1.00 . A A . 16 SER N 1 1
9 4316 1 1 16 SER O O -1.743 -5.306 2.218 1.00 . A A . 16 SER O 1 1
9 4317 1 1 16 SER OG O -2.996 -5.226 5.093 1.00 . A A . 16 SER OG 1 1
9 4318 1 1 17 . C C -1.946 -6.748 -1.553 1.00 . A A . 17 B3D C 1 1
9 4319 1 1 17 . CA C -2.283 -7.898 -0.647 1.00 . A A . 17 B3D CA 1 1
9 4320 1 1 17 . CB C -1.877 -7.658 0.809 1.00 . A A . 17 B3D CB 1 1
9 4321 1 1 17 . CD C -0.420 -9.760 0.674 1.00 . A A . 17 B3D CD 1 1
9 4322 1 1 17 . CG C -1.526 -9.029 1.425 1.00 . A A . 17 B3D CG 1 1
9 4323 1 1 17 . H H -3.830 -7.516 1.566 1.00 . A A . 17 B3D H 1 1
9 4324 1 1 17 . HA1 H -1.775 -8.778 -1.011 1.00 . A A . 17 B3D HA1 1 1
9 4325 1 1 17 . HA2 H -3.350 -8.061 -0.693 1.00 . A A . 17 B3D HA2 1 1
9 4326 1 1 17 . HB H -1.041 -6.934 0.859 1.00 . A A . 17 B3D HB 1 1
9 4327 1 1 17 . HG2 H -2.408 -9.651 1.424 1.00 . A A . 17 B3D HG2 1 1
9 4328 1 1 17 . HG3 H -1.202 -8.882 2.444 1.00 . A A . 17 B3D HG3 1 1
9 4329 1 1 17 . N N -2.959 -7.062 1.541 1.00 . A A . 17 B3D N 1 1
9 4330 1 1 17 . O O -0.784 -6.534 -1.913 1.00 . A A . 17 B3D O 1 1
9 4331 1 1 17 . OE1 O -0.732 -10.694 -0.096 1.00 . A A . 17 B3D OE1 1 1
9 4332 1 1 17 . OE2 O 0.767 -9.417 0.857 1.00 . A A . 17 B3D OE2 1 1
9 4333 1 1 18 GLU C C -2.036 -3.735 -2.076 1.00 . A A . 18 GLU C 1 1
9 4334 1 1 18 GLU CA C -2.828 -4.826 -2.776 1.00 . A A . 18 GLU CA 1 1
9 4335 1 1 18 GLU CB C -4.199 -4.275 -3.159 1.00 . A A . 18 GLU CB 1 1
9 4336 1 1 18 GLU CD C -6.493 -4.701 -4.080 1.00 . A A . 18 GLU CD 1 1
9 4337 1 1 18 GLU CG C -5.121 -5.283 -3.820 1.00 . A A . 18 GLU CG 1 1
9 4338 1 1 18 GLU H H -3.867 -6.210 -1.574 1.00 . A A . 18 GLU H 1 1
9 4339 1 1 18 GLU HA H -2.304 -5.134 -3.667 1.00 . A A . 18 GLU HA 1 1
9 4340 1 1 18 GLU HB2 H -4.684 -3.917 -2.265 1.00 . A A . 18 GLU HB2 1 1
9 4341 1 1 18 GLU HB3 H -4.060 -3.446 -3.838 1.00 . A A . 18 GLU HB3 1 1
9 4342 1 1 18 GLU HG2 H -4.688 -5.590 -4.760 1.00 . A A . 18 GLU HG2 1 1
9 4343 1 1 18 GLU HG3 H -5.226 -6.140 -3.174 1.00 . A A . 18 GLU HG3 1 1
9 4344 1 1 18 GLU N N -2.976 -5.985 -1.908 1.00 . A A . 18 GLU N 1 1
9 4345 1 1 18 GLU O O -1.136 -3.139 -2.660 1.00 . A A . 18 GLU O 1 1
9 4346 1 1 18 GLU OE1 O -7.151 -4.266 -3.109 1.00 . A A . 18 GLU OE1 1 1
9 4347 1 1 18 GLU OE2 O -6.919 -4.663 -5.253 1.00 . A A . 18 GLU OE2 1 1
9 4348 1 1 19 LEU C C -0.235 -2.762 0.103 1.00 . A A . 19 LEU C 1 1
9 4349 1 1 19 LEU CA C -1.720 -2.443 -0.038 1.00 . A A . 19 LEU CA 1 1
9 4350 1 1 19 LEU CB C -2.405 -2.311 1.336 1.00 . A A . 19 LEU CB 1 1
9 4351 1 1 19 LEU CD1 C -0.605 -1.585 2.967 1.00 . A A . 19 LEU CD1 1 1
9 4352 1 1 19 LEU CD2 C -1.718 0.113 1.513 1.00 . A A . 19 LEU CD2 1 1
9 4353 1 1 19 LEU CG C -1.900 -1.194 2.270 1.00 . A A . 19 LEU CG 1 1
9 4354 1 1 19 LEU H H -3.119 -3.989 -0.409 1.00 . A A . 19 LEU H 1 1
9 4355 1 1 19 LEU HA H -1.825 -1.512 -0.573 1.00 . A A . 19 LEU HA 1 1
9 4356 1 1 19 LEU HB2 H -3.457 -2.149 1.164 1.00 . A A . 19 LEU HB2 1 1
9 4357 1 1 19 LEU HB3 H -2.291 -3.253 1.853 1.00 . A A . 19 LEU HB3 1 1
9 4358 1 1 19 LEU HD11 H -0.285 -0.777 3.607 1.00 . A A . 19 LEU HD11 1 1
9 4359 1 1 19 LEU HD12 H 0.156 -1.783 2.226 1.00 . A A . 19 LEU HD12 1 1
9 4360 1 1 19 LEU HD13 H -0.770 -2.472 3.561 1.00 . A A . 19 LEU HD13 1 1
9 4361 1 1 19 LEU HD21 H -2.663 0.421 1.097 1.00 . A A . 19 LEU HD21 1 1
9 4362 1 1 19 LEU HD22 H -1.000 -0.023 0.716 1.00 . A A . 19 LEU HD22 1 1
9 4363 1 1 19 LEU HD23 H -1.360 0.873 2.191 1.00 . A A . 19 LEU HD23 1 1
9 4364 1 1 19 LEU HG H -2.643 -1.029 3.035 1.00 . A A . 19 LEU HG 1 1
9 4365 1 1 19 LEU N N -2.387 -3.475 -0.820 1.00 . A A . 19 LEU N 1 1
9 4366 1 1 19 LEU O O 0.613 -1.948 -0.255 1.00 . A A . 19 LEU O 1 1
9 4367 1 1 20 GLN C C 2.215 -4.408 -0.485 1.00 . A A . 20 GLN C 1 1
9 4368 1 1 20 GLN CA C 1.447 -4.368 0.831 1.00 . A A . 20 GLN CA 1 1
9 4369 1 1 20 GLN CB C 1.506 -5.732 1.524 1.00 . A A . 20 GLN CB 1 1
9 4370 1 1 20 GLN CD C 3.461 -5.094 3.007 1.00 . A A . 20 GLN CD 1 1
9 4371 1 1 20 GLN CG C 2.898 -6.101 2.014 1.00 . A A . 20 GLN CG 1 1
9 4372 1 1 20 GLN H H -0.662 -4.562 0.861 1.00 . A A . 20 GLN H 1 1
9 4373 1 1 20 GLN HA H 1.908 -3.634 1.473 1.00 . A A . 20 GLN HA 1 1
9 4374 1 1 20 GLN HB2 H 0.838 -5.721 2.371 1.00 . A A . 20 GLN HB2 1 1
9 4375 1 1 20 GLN HB3 H 1.179 -6.490 0.829 1.00 . A A . 20 GLN HB3 1 1
9 4376 1 1 20 GLN HE21 H 1.640 -4.704 3.708 1.00 . A A . 20 GLN HE21 1 1
9 4377 1 1 20 GLN HE22 H 2.936 -3.816 4.434 1.00 . A A . 20 GLN HE22 1 1
9 4378 1 1 20 GLN HG2 H 2.854 -7.068 2.494 1.00 . A A . 20 GLN HG2 1 1
9 4379 1 1 20 GLN HG3 H 3.562 -6.152 1.164 1.00 . A A . 20 GLN HG3 1 1
9 4380 1 1 20 GLN N N 0.066 -3.953 0.612 1.00 . A A . 20 GLN N 1 1
9 4381 1 1 20 GLN NE2 N 2.592 -4.479 3.796 1.00 . A A . 20 GLN NE2 1 1
9 4382 1 1 20 GLN O O 3.238 -3.741 -0.629 1.00 . A A . 20 GLN O 1 1
9 4383 1 1 20 GLN OE1 O 4.671 -4.882 3.072 1.00 . A A . 20 GLN OE1 1 1
9 4384 1 1 21 . C C 1.896 -3.394 -4.336 1.00 . A A . 21 HMR C 1 1
9 4385 1 1 21 . CA C 2.399 -5.253 -2.725 1.00 . A A . 21 HMR CA 1 1
9 4386 1 1 21 . CB C 2.781 -6.699 -3.046 1.00 . A A . 21 HMR CB 1 1
9 4387 1 1 21 . CD C 4.324 -8.599 -2.513 1.00 . A A . 21 HMR CD 1 1
9 4388 1 1 21 . CG C 3.648 -7.349 -1.985 1.00 . A A . 21 HMR CG 1 1
9 4389 1 1 21 . CH2 C 1.502 -4.760 -3.854 1.00 . A A . 21 HMR CH2 1 1
9 4390 1 1 21 . CZ C 6.387 -8.985 -3.809 1.00 . A A . 21 HMR CZ 1 1
9 4391 1 1 21 . H H 0.907 -5.701 -1.297 1.00 . A A . 21 HMR H 1 1
9 4392 1 1 21 . HA H 3.285 -4.599 -2.647 1.00 . A A . 21 HMR HA 1 1
9 4393 1 1 21 . HB2 H 3.315 -6.722 -3.983 1.00 . A A . 21 HMR HB2 1 1
9 4394 1 1 21 . HB3 H 1.878 -7.280 -3.143 1.00 . A A . 21 HMR HB3 1 1
9 4395 1 1 21 . HC1 H 1.570 -5.448 -4.681 1.00 . A A . 21 HMR HC1 1 1
9 4396 1 1 21 . HC2 H 0.479 -4.718 -3.504 1.00 . A A . 21 HMR HC2 1 1
9 4397 1 1 21 . HD2 H 3.569 -9.267 -2.899 1.00 . A A . 21 HMR HD2 1 1
9 4398 1 1 21 . HD3 H 4.849 -9.081 -1.703 1.00 . A A . 21 HMR HD3 1 1
9 4399 1 1 21 . HE H 5.072 -7.518 -4.157 1.00 . A A . 21 HMR HE 1 1
9 4400 1 1 21 . HG2 H 3.028 -7.613 -1.141 1.00 . A A . 21 HMR HG2 1 1
9 4401 1 1 21 . HG3 H 4.405 -6.646 -1.672 1.00 . A A . 21 HMR HG3 1 1
9 4402 1 1 21 . HH1 H 6.084 -10.292 -2.288 1.00 . A A . 21 HMR HH1 1 1
9 4403 1 1 21 . HH2 H 7.530 -10.550 -3.209 1.00 . A A . 21 HMR HH2 1 1
9 4404 1 1 21 . HH21 H 8.033 -9.152 -4.981 1.00 . A A . 21 HMR HH21 1 1
9 4405 1 1 21 . HH22 H 6.964 -7.844 -5.385 1.00 . A A . 21 HMR HH22 1 1
9 4406 1 1 21 . N N 1.731 -5.180 -1.450 1.00 . A A . 21 HMR N 1 1
9 4407 1 1 21 . NE N 5.274 -8.292 -3.581 1.00 . A A . 21 HMR NE 1 1
9 4408 1 1 21 . NH1 N 6.692 -10.026 -3.042 1.00 . A A . 21 HMR NH1 1 1
9 4409 1 1 21 . NH2 N 7.193 -8.633 -4.804 1.00 . A A . 21 HMR NH2 1 1
9 4410 1 1 21 . O O 2.685 -3.238 -5.269 1.00 . A A . 21 HMR O 1 1
9 4411 1 1 22 HIS C C 2.792 -0.530 -3.087 1.00 . A A . 22 HIS C 1 1
9 4412 1 1 22 HIS CA C 1.632 -1.012 -3.962 1.00 . A A . 22 HIS CA 1 1
9 4413 1 1 22 HIS CB C 0.379 -0.160 -3.732 1.00 . A A . 22 HIS CB 1 1
9 4414 1 1 22 HIS CD2 C 1.055 2.010 -2.531 1.00 . A A . 22 HIS CD2 1 1
9 4415 1 1 22 HIS CE1 C 0.935 3.419 -4.183 1.00 . A A . 22 HIS CE1 1 1
9 4416 1 1 22 HIS CG C 0.651 1.305 -3.613 1.00 . A A . 22 HIS CG 1 1
9 4417 1 1 22 HIS H H 0.654 -2.605 -2.996 1.00 . A A . 22 HIS H 1 1
9 4418 1 1 22 HIS HA H 1.923 -0.936 -4.996 1.00 . A A . 22 HIS HA 1 1
9 4419 1 1 22 HIS HB2 H -0.299 -0.304 -4.557 1.00 . A A . 22 HIS HB2 1 1
9 4420 1 1 22 HIS HB3 H -0.101 -0.484 -2.818 1.00 . A A . 22 HIS HB3 1 1
9 4421 1 1 22 HIS HD1 H 0.300 2.015 -5.585 1.00 . A A . 22 HIS HD1 1 1
9 4422 1 1 22 HIS HD2 H 1.203 1.624 -1.534 1.00 . A A . 22 HIS HD2 1 1
9 4423 1 1 22 HIS HE1 H 0.969 4.333 -4.755 1.00 . A A . 22 HIS HE1 1 1
9 4424 1 1 22 HIS N N 1.326 -2.397 -3.685 1.00 . A A . 22 HIS N 1 1
9 4425 1 1 22 HIS ND1 N 0.569 2.215 -4.661 1.00 . A A . 22 HIS ND1 1 1
9 4426 1 1 22 HIS NE2 N 1.228 3.314 -2.914 1.00 . A A . 22 HIS NE2 1 1
9 4427 1 1 22 HIS O O 3.773 0.015 -3.602 1.00 . A A . 22 HIS O 1 1
9 4428 1 1 23 LYS C C 5.060 -0.711 -1.271 1.00 . A A . 23 LYS C 1 1
9 4429 1 1 23 LYS CA C 3.679 -0.282 -0.812 1.00 . A A . 23 LYS CA 1 1
9 4430 1 1 23 LYS CB C 3.389 -0.831 0.591 1.00 . A A . 23 LYS CB 1 1
9 4431 1 1 23 LYS CD C 4.102 1.167 1.964 1.00 . A A . 23 LYS CD 1 1
9 4432 1 1 23 LYS CE C 2.761 1.405 2.652 1.00 . A A . 23 LYS CE 1 1
9 4433 1 1 23 LYS CG C 4.334 -0.311 1.669 1.00 . A A . 23 LYS CG 1 1
9 4434 1 1 23 LYS H H 1.891 -1.234 -1.434 1.00 . A A . 23 LYS H 1 1
9 4435 1 1 23 LYS HA H 3.641 0.796 -0.787 1.00 . A A . 23 LYS HA 1 1
9 4436 1 1 23 LYS HB2 H 2.381 -0.559 0.867 1.00 . A A . 23 LYS HB2 1 1
9 4437 1 1 23 LYS HB3 H 3.464 -1.908 0.565 1.00 . A A . 23 LYS HB3 1 1
9 4438 1 1 23 LYS HD2 H 4.892 1.525 2.609 1.00 . A A . 23 LYS HD2 1 1
9 4439 1 1 23 LYS HD3 H 4.120 1.714 1.036 1.00 . A A . 23 LYS HD3 1 1
9 4440 1 1 23 LYS HE2 H 2.601 2.470 2.744 1.00 . A A . 23 LYS HE2 1 1
9 4441 1 1 23 LYS HE3 H 1.976 0.978 2.045 1.00 . A A . 23 LYS HE3 1 1
9 4442 1 1 23 LYS HG2 H 4.181 -0.879 2.576 1.00 . A A . 23 LYS HG2 1 1
9 4443 1 1 23 LYS HG3 H 5.352 -0.443 1.330 1.00 . A A . 23 LYS HG3 1 1
9 4444 1 1 23 LYS HZ1 H 2.816 -0.239 3.943 1.00 . A A . 23 LYS HZ1 1 1
9 4445 1 1 23 LYS HZ2 H 1.808 1.014 4.468 1.00 . A A . 23 LYS HZ2 1 1
9 4446 1 1 23 LYS HZ3 H 3.484 1.170 4.595 1.00 . A A . 23 LYS HZ3 1 1
9 4447 1 1 23 LYS N N 2.674 -0.744 -1.770 1.00 . A A . 23 LYS N 1 1
9 4448 1 1 23 LYS NZ N 2.714 0.794 4.007 1.00 . A A . 23 LYS NZ 1 1
9 4449 1 1 23 LYS O O 6.007 0.081 -1.272 1.00 . A A . 23 LYS O 1 1
9 4450 1 1 24 . C C 7.223 -1.259 -4.243 1.00 . A A . 24 HMR C 1 1
9 4451 1 1 24 . CA C 6.407 -2.477 -2.173 1.00 . A A . 24 HMR CA 1 1
9 4452 1 1 24 . CB C 6.547 -3.952 -1.771 1.00 . A A . 24 HMR CB 1 1
9 4453 1 1 24 . CD C 7.964 -6.020 -1.701 1.00 . A A . 24 HMR CD 1 1
9 4454 1 1 24 . CG C 7.882 -4.569 -2.141 1.00 . A A . 24 HMR CG 1 1
9 4455 1 1 24 . CH2 C 6.411 -2.408 -3.701 1.00 . A A . 24 HMR CH2 1 1
9 4456 1 1 24 . CZ C 9.654 -7.817 -1.600 1.00 . A A . 24 HMR CZ 1 1
9 4457 1 1 24 . H H 4.386 -2.560 -1.608 1.00 . A A . 24 HMR H 1 1
9 4458 1 1 24 . HA H 7.205 -1.841 -1.759 1.00 . A A . 24 HMR HA 1 1
9 4459 1 1 24 . HB2 H 5.767 -4.517 -2.257 1.00 . A A . 24 HMR HB2 1 1
9 4460 1 1 24 . HB3 H 6.423 -4.032 -0.701 1.00 . A A . 24 HMR HB3 1 1
9 4461 1 1 24 . HC1 H 6.821 -3.325 -4.088 1.00 . A A . 24 HMR HC1 1 1
9 4462 1 1 24 . HC2 H 5.397 -2.299 -4.051 1.00 . A A . 24 HMR HC2 1 1
9 4463 1 1 24 . HD2 H 7.205 -6.584 -2.223 1.00 . A A . 24 HMR HD2 1 1
9 4464 1 1 24 . HD3 H 7.784 -6.071 -0.637 1.00 . A A . 24 HMR HD3 1 1
9 4465 1 1 24 . HE H 9.906 -6.049 -2.506 1.00 . A A . 24 HMR HE 1 1
9 4466 1 1 24 . HG2 H 8.673 -4.011 -1.661 1.00 . A A . 24 HMR HG2 1 1
9 4467 1 1 24 . HG3 H 8.006 -4.524 -3.210 1.00 . A A . 24 HMR HG3 1 1
9 4468 1 1 24 . HH1 H 11.506 -7.682 -2.413 1.00 . A A . 24 HMR HH1 1 1
9 4469 1 1 24 . HH2 H 11.162 -9.174 -1.602 1.00 . A A . 24 HMR HH2 1 1
9 4470 1 1 24 . HH21 H 7.904 -8.249 -0.672 1.00 . A A . 24 HMR HH21 1 1
9 4471 1 1 24 . HH22 H 9.105 -9.498 -0.608 1.00 . A A . 24 HMR HH22 1 1
9 4472 1 1 24 . N N 5.169 -1.965 -1.668 1.00 . A A . 24 HMR N 1 1
9 4473 1 1 24 . NE N 9.274 -6.602 -1.991 1.00 . A A . 24 HMR NE 1 1
9 4474 1 1 24 . NH1 N 10.870 -8.260 -1.895 1.00 . A A . 24 HMR NH1 1 1
9 4475 1 1 24 . NH2 N 8.823 -8.582 -0.905 1.00 . A A . 24 HMR NH2 1 1
9 4476 1 1 24 . O O 8.428 -1.378 -4.470 1.00 . A A . 24 HMR O 1 1
9 4477 1 1 25 THR C C 7.947 1.884 -4.033 1.00 . A A . 25 THR C 1 1
9 4478 1 1 25 THR CA C 7.188 1.028 -5.056 1.00 . A A . 25 THR CA 1 1
9 4479 1 1 25 THR CB C 6.160 1.894 -5.834 1.00 . A A . 25 THR CB 1 1
9 4480 1 1 25 THR CG2 C 5.134 2.537 -4.908 1.00 . A A . 25 THR CG2 1 1
9 4481 1 1 25 THR H H 5.616 -0.068 -4.154 1.00 . A A . 25 THR H 1 1
9 4482 1 1 25 THR HA H 7.903 0.650 -5.770 1.00 . A A . 25 THR HA 1 1
9 4483 1 1 25 THR HB H 5.639 1.253 -6.528 1.00 . A A . 25 THR HB 1 1
9 4484 1 1 25 THR HG1 H 7.668 2.565 -6.917 1.00 . A A . 25 THR HG1 1 1
9 4485 1 1 25 THR HG21 H 4.570 1.768 -4.402 1.00 . A A . 25 THR HG21 1 1
9 4486 1 1 25 THR HG22 H 4.462 3.152 -5.489 1.00 . A A . 25 THR HG22 1 1
9 4487 1 1 25 THR HG23 H 5.643 3.150 -4.179 1.00 . A A . 25 THR HG23 1 1
9 4488 1 1 25 THR N N 6.558 -0.125 -4.435 1.00 . A A . 25 THR N 1 1
9 4489 1 1 25 THR O O 9.015 2.419 -4.341 1.00 . A A . 25 THR O 1 1
9 4490 1 1 25 THR OG1 O 6.835 2.917 -6.573 1.00 . A A . 25 THR OG1 1 1
9 4491 1 1 26 HIS C C 9.127 1.971 -1.066 1.00 . A A . 26 HIS C 1 1
9 4492 1 1 26 HIS CA C 8.085 2.802 -1.791 1.00 . A A . 26 HIS CA 1 1
9 4493 1 1 26 HIS CB C 7.104 3.329 -0.739 1.00 . A A . 26 HIS CB 1 1
9 4494 1 1 26 HIS CD2 C 4.601 3.732 -1.127 1.00 . A A . 26 HIS CD2 1 1
9 4495 1 1 26 HIS CE1 C 4.662 5.652 -2.148 1.00 . A A . 26 HIS CE1 1 1
9 4496 1 1 26 HIS CG C 5.906 4.053 -1.258 1.00 . A A . 26 HIS CG 1 1
9 4497 1 1 26 HIS H H 6.603 1.502 -2.588 1.00 . A A . 26 HIS H 1 1
9 4498 1 1 26 HIS HA H 8.569 3.633 -2.278 1.00 . A A . 26 HIS HA 1 1
9 4499 1 1 26 HIS HB2 H 6.742 2.494 -0.158 1.00 . A A . 26 HIS HB2 1 1
9 4500 1 1 26 HIS HB3 H 7.634 4.004 -0.081 1.00 . A A . 26 HIS HB3 1 1
9 4501 1 1 26 HIS HD1 H 6.746 5.780 -2.175 1.00 . A A . 26 HIS HD1 1 1
9 4502 1 1 26 HIS HD2 H 4.205 2.839 -0.674 1.00 . A A . 26 HIS HD2 1 1
9 4503 1 1 26 HIS HE1 H 4.357 6.566 -2.633 1.00 . A A . 26 HIS HE1 1 1
9 4504 1 1 26 HIS N N 7.428 1.991 -2.811 1.00 . A A . 26 HIS N 1 1
9 4505 1 1 26 HIS ND1 N 5.938 5.278 -1.921 1.00 . A A . 26 HIS ND1 1 1
9 4506 1 1 26 HIS NE2 N 3.850 4.740 -1.680 1.00 . A A . 26 HIS NE2 1 1
9 4507 1 1 26 HIS O O 10.255 2.408 -0.846 1.00 . A A . 26 HIS O 1 1
9 4508 1 1 27 . C C 11.689 -1.424 -0.576 1.00 . A A . 27 B3T C 1 1
9 4509 1 1 27 . CA C 10.241 -1.146 -0.925 1.00 . A A . 27 B3T CA 1 1
9 4510 1 1 27 . CB C 9.602 -0.139 0.029 1.00 . A A . 27 B3T CB 1 1
9 4511 1 1 27 . CD2 C 8.157 0.143 2.069 1.00 . A A . 27 B3T CD2 1 1
9 4512 1 1 27 . CG C 8.829 -0.862 1.143 1.00 . A A . 27 B3T CG 1 1
9 4513 1 1 27 . H1D2 H 8.908 0.754 2.545 1.00 . A A . 27 B3T H1D2 1 1
9 4514 1 1 27 . H2D2 H 7.590 -0.384 2.822 1.00 . A A . 27 B3T H2D2 1 1
9 4515 1 1 27 . H3D2 H 7.494 0.772 1.495 1.00 . A A . 27 B3T H3D2 1 1
9 4516 1 1 27 . HA H 10.198 -0.756 -1.930 1.00 . A A . 27 B3T HA 1 1
9 4517 1 1 27 . HAA H 9.693 -2.074 -0.880 1.00 . A A . 27 B3T HAA 1 1
9 4518 1 1 27 . HB H 10.378 0.446 0.495 1.00 . A A . 27 B3T HB 1 1
9 4519 1 1 27 . HG H 9.522 -1.455 1.719 1.00 . A A . 27 B3T HG 1 1
9 4520 1 1 27 . HN H 7.822 0.475 -0.923 1.00 . A A . 27 B3T HN 1 1
9 4521 1 1 27 . HOD1 H 7.247 -1.203 0.011 1.00 . A A . 27 B3T HOD1 1 1
9 4522 1 1 27 . N N 8.730 0.766 -0.697 1.00 . A A . 27 B3T N 1 1
9 4523 1 1 27 . O O 11.981 -2.062 0.439 1.00 . A A . 27 B3T O 1 1
9 4524 1 1 27 . OD1 O 7.837 -1.719 0.571 1.00 . A A . 27 B3T OD1 1 1
9 4525 1 1 28 GLY C C 14.472 -0.316 0.049 1.00 . A A . 28 GLY C 1 1
9 4526 1 1 28 GLY CA C 14.015 -1.122 -1.148 1.00 . A A . 28 GLY CA 1 1
9 4527 1 1 28 GLY H H 12.311 -0.462 -2.217 1.00 . A A . 28 GLY H 1 1
9 4528 1 1 28 GLY HA2 H 14.205 -2.167 -0.962 1.00 . A A . 28 GLY HA2 1 1
9 4529 1 1 28 GLY HA3 H 14.576 -0.812 -2.015 1.00 . A A . 28 GLY HA3 1 1
9 4530 1 1 28 GLY N N 12.601 -0.942 -1.412 1.00 . A A . 28 GLY N 1 1
9 4531 1 1 28 GLY O O 15.408 -0.696 0.752 1.00 . A A . 28 GLY O 1 1
9 4532 1 1 29 GLU C C 13.055 1.539 2.493 1.00 . A A . 29 GLU C 1 1
9 4533 1 1 29 GLU CA C 14.122 1.659 1.408 1.00 . A A . 29 GLU CA 1 1
9 4534 1 1 29 GLU CB C 14.250 3.112 0.937 1.00 . A A . 29 GLU CB 1 1
9 4535 1 1 29 GLU CD C 16.085 3.582 2.595 1.00 . A A . 29 GLU CD 1 1
9 4536 1 1 29 GLU CG C 14.779 4.056 2.000 1.00 . A A . 29 GLU CG 1 1
9 4537 1 1 29 GLU H H 13.049 1.034 -0.298 1.00 . A A . 29 GLU H 1 1
9 4538 1 1 29 GLU HA H 15.070 1.335 1.813 1.00 . A A . 29 GLU HA 1 1
9 4539 1 1 29 GLU HB2 H 14.920 3.147 0.091 1.00 . A A . 29 GLU HB2 1 1
9 4540 1 1 29 GLU HB3 H 13.277 3.464 0.627 1.00 . A A . 29 GLU HB3 1 1
9 4541 1 1 29 GLU HG2 H 14.935 5.028 1.555 1.00 . A A . 29 GLU HG2 1 1
9 4542 1 1 29 GLU HG3 H 14.045 4.135 2.788 1.00 . A A . 29 GLU HG3 1 1
9 4543 1 1 29 GLU N N 13.796 0.795 0.289 1.00 . A A . 29 GLU N 1 1
9 4544 1 1 29 GLU O O 12.139 2.360 2.576 1.00 . A A . 29 GLU O 1 1
9 4545 1 1 29 GLU OE1 O 16.080 3.092 3.744 1.00 . A A . 29 GLU OE1 1 1
9 4546 1 1 29 GLU OE2 O 17.126 3.696 1.917 1.00 . A A . 29 GLU OE2 1 1
9 4547 1 1 30 LYS C C 12.955 -0.089 5.668 1.00 . A A . 30 LYS C 1 1
9 4548 1 1 30 LYS CA C 12.217 0.283 4.387 1.00 . A A . 30 LYS CA 1 1
9 4549 1 1 30 LYS CB C 11.214 -0.813 4.011 1.00 . A A . 30 LYS CB 1 1
9 4550 1 1 30 LYS CD C 9.176 -2.136 4.668 1.00 . A A . 30 LYS CD 1 1
9 4551 1 1 30 LYS CE C 8.094 -2.322 5.718 1.00 . A A . 30 LYS CE 1 1
9 4552 1 1 30 LYS CG C 10.113 -1.000 5.041 1.00 . A A . 30 LYS CG 1 1
9 4553 1 1 30 LYS H H 13.908 -0.130 3.187 1.00 . A A . 30 LYS H 1 1
9 4554 1 1 30 LYS HA H 11.683 1.207 4.551 1.00 . A A . 30 LYS HA 1 1
9 4555 1 1 30 LYS HB2 H 10.755 -0.557 3.068 1.00 . A A . 30 LYS HB2 1 1
9 4556 1 1 30 LYS HB3 H 11.740 -1.750 3.904 1.00 . A A . 30 LYS HB3 1 1
9 4557 1 1 30 LYS HD2 H 8.709 -1.910 3.720 1.00 . A A . 30 LYS HD2 1 1
9 4558 1 1 30 LYS HD3 H 9.746 -3.051 4.585 1.00 . A A . 30 LYS HD3 1 1
9 4559 1 1 30 LYS HE2 H 7.545 -1.398 5.820 1.00 . A A . 30 LYS HE2 1 1
9 4560 1 1 30 LYS HE3 H 7.423 -3.105 5.393 1.00 . A A . 30 LYS HE3 1 1
9 4561 1 1 30 LYS HG2 H 10.565 -1.219 5.996 1.00 . A A . 30 LYS HG2 1 1
9 4562 1 1 30 LYS HG3 H 9.543 -0.084 5.112 1.00 . A A . 30 LYS HG3 1 1
9 4563 1 1 30 LYS HZ1 H 9.365 -1.987 7.337 1.00 . A A . 30 LYS HZ1 1 1
9 4564 1 1 30 LYS HZ2 H 9.124 -3.622 6.986 1.00 . A A . 30 LYS HZ2 1 1
9 4565 1 1 30 LYS HZ3 H 7.909 -2.734 7.755 1.00 . A A . 30 LYS HZ3 1 1
9 4566 1 1 30 LYS N N 13.165 0.502 3.308 1.00 . A A . 30 LYS N 1 1
9 4567 1 1 30 LYS NZ N 8.663 -2.692 7.040 1.00 . A A . 30 LYS NZ 1 1
9 4568 1 1 30 LYS O O 13.038 -1.258 6.049 1.00 . A A . 30 LYS O 1 1
9 4569 1 1 31 NH2 HN1 H 13.390 1.818 5.972 1.00 . A A . 31 NH2 HN1 1 1
9 4570 1 1 31 NH2 HN2 H 13.986 0.709 7.155 1.00 . A A . 31 NH2 HN2 1 1
9 4571 1 1 31 NH2 N N 13.497 0.911 6.332 1.00 . A A . 31 NH2 N 1 1
9 4572 2 2 1 ZN ZN ZN 1.857 4.764 -1.710 1.00 . B A . 101 ZN ZN 1 1
10 4573 1 1 1 PRO C C -9.506 0.189 3.513 1.00 . A A . 1 PRO C 1 1
10 4574 1 1 1 PRO CA C -10.784 -0.057 2.716 1.00 . A A . 1 PRO CA 1 1
10 4575 1 1 1 PRO CB C -10.954 1.011 1.642 1.00 . A A . 1 PRO CB 1 1
10 4576 1 1 1 PRO CD C -12.570 1.299 3.402 1.00 . A A . 1 PRO CD 1 1
10 4577 1 1 1 PRO CG C -12.276 1.627 1.955 1.00 . A A . 1 PRO CG 1 1
10 4578 1 1 1 PRO H2 H -11.590 -0.232 4.550 1.00 . A A . 1 PRO H2 1 1
10 4579 1 1 1 PRO H3 H -12.503 -0.884 3.363 1.00 . A A . 1 PRO H3 1 1
10 4580 1 1 1 PRO HA H -10.730 -1.032 2.253 1.00 . A A . 1 PRO HA 1 1
10 4581 1 1 1 PRO HB2 H -10.149 1.728 1.710 1.00 . A A . 1 PRO HB2 1 1
10 4582 1 1 1 PRO HB3 H -10.956 0.550 0.664 1.00 . A A . 1 PRO HB3 1 1
10 4583 1 1 1 PRO HD2 H -12.120 2.034 4.054 1.00 . A A . 1 PRO HD2 1 1
10 4584 1 1 1 PRO HD3 H -13.637 1.254 3.567 1.00 . A A . 1 PRO HD3 1 1
10 4585 1 1 1 PRO HG2 H -12.226 2.697 1.816 1.00 . A A . 1 PRO HG2 1 1
10 4586 1 1 1 PRO HG3 H -13.034 1.203 1.316 1.00 . A A . 1 PRO HG3 1 1
10 4587 1 1 1 PRO N N -11.957 -0.023 3.607 1.00 . A A . 1 PRO N 1 1
10 4588 1 1 1 PRO O O -9.555 0.420 4.723 1.00 . A A . 1 PRO O 1 1
10 4589 1 1 2 PHE C C -6.374 1.516 2.775 1.00 . A A . 2 PHE C 1 1
10 4590 1 1 2 PHE CA C -7.077 0.348 3.458 1.00 . A A . 2 PHE CA 1 1
10 4591 1 1 2 PHE CB C -6.203 -0.906 3.348 1.00 . A A . 2 PHE CB 1 1
10 4592 1 1 2 PHE CD1 C -7.502 -3.030 3.047 1.00 . A A . 2 PHE CD1 1 1
10 4593 1 1 2 PHE CD2 C -6.791 -2.442 5.244 1.00 . A A . 2 PHE CD2 1 1
10 4594 1 1 2 PHE CE1 C -8.098 -4.174 3.543 1.00 . A A . 2 PHE CE1 1 1
10 4595 1 1 2 PHE CE2 C -7.384 -3.584 5.745 1.00 . A A . 2 PHE CE2 1 1
10 4596 1 1 2 PHE CG C -6.842 -2.153 3.891 1.00 . A A . 2 PHE CG 1 1
10 4597 1 1 2 PHE CZ C -8.010 -4.466 4.893 1.00 . A A . 2 PHE CZ 1 1
10 4598 1 1 2 PHE H H -8.403 -0.074 1.870 1.00 . A A . 2 PHE H 1 1
10 4599 1 1 2 PHE HA H -7.238 0.585 4.498 1.00 . A A . 2 PHE HA 1 1
10 4600 1 1 2 PHE HB2 H -5.964 -1.079 2.309 1.00 . A A . 2 PHE HB2 1 1
10 4601 1 1 2 PHE HB3 H -5.288 -0.738 3.897 1.00 . A A . 2 PHE HB3 1 1
10 4602 1 1 2 PHE HD1 H -7.548 -2.812 1.990 1.00 . A A . 2 PHE HD1 1 1
10 4603 1 1 2 PHE HD2 H -6.279 -1.766 5.913 1.00 . A A . 2 PHE HD2 1 1
10 4604 1 1 2 PHE HE1 H -8.610 -4.850 2.875 1.00 . A A . 2 PHE HE1 1 1
10 4605 1 1 2 PHE HE2 H -7.337 -3.798 6.801 1.00 . A A . 2 PHE HE2 1 1
10 4606 1 1 2 PHE HZ H -8.464 -5.364 5.281 1.00 . A A . 2 PHE HZ 1 1
10 4607 1 1 2 PHE N N -8.372 0.125 2.832 1.00 . A A . 2 PHE N 1 1
10 4608 1 1 2 PHE O O -6.441 1.643 1.555 1.00 . A A . 2 PHE O 1 1
10 4609 1 1 3 . C C -3.479 3.440 3.060 1.00 . A A . 3 9KK C 1 1
10 4610 1 1 3 . CA C -5.000 3.527 2.916 1.00 . A A . 3 9KK CA 1 1
10 4611 1 1 3 . CB C -5.549 4.750 3.657 1.00 . A A . 3 9KK CB 1 1
10 4612 1 1 3 . CD C -5.639 7.255 3.863 1.00 . A A . 3 9KK CD 1 1
10 4613 1 1 3 . CE C -5.103 8.556 3.309 1.00 . A A . 3 9KK CE 1 1
10 4614 1 1 3 . CG C -5.056 6.075 3.099 1.00 . A A . 3 9KK CG 1 1
10 4615 1 1 3 . CM C -5.654 2.207 4.998 1.00 . A A . 3 9KK CM 1 1
10 4616 1 1 3 . HA H -5.245 3.605 1.866 1.00 . A A . 3 9KK HA 1 1
10 4617 1 1 3 . HB2 H -5.252 4.691 4.693 1.00 . A A . 3 9KK HB2 1 1
10 4618 1 1 3 . HB3 H -6.627 4.737 3.600 1.00 . A A . 3 9KK HB3 1 1
10 4619 1 1 3 . HD2 H -5.363 7.180 4.905 1.00 . A A . 3 9KK HD2 1 1
10 4620 1 1 3 . HD3 H -6.714 7.251 3.763 1.00 . A A . 3 9KK HD3 1 1
10 4621 1 1 3 . HE1 H -5.369 8.640 2.264 1.00 . A A . 3 9KK HE1 1 1
10 4622 1 1 3 . HE2 H -4.028 8.578 3.410 1.00 . A A . 3 9KK HE2 1 1
10 4623 1 1 3 . HE3 H -5.533 9.383 3.856 1.00 . A A . 3 9KK HE3 1 1
10 4624 1 1 3 . HG2 H -5.348 6.148 2.061 1.00 . A A . 3 9KK HG2 1 1
10 4625 1 1 3 . HG3 H -3.979 6.107 3.175 1.00 . A A . 3 9KK HG3 1 1
10 4626 1 1 3 . HM1 H -4.840 2.784 5.406 1.00 . A A . 3 9KK HM1 1 1
10 4627 1 1 3 . HM2 H -5.503 1.162 5.227 1.00 . A A . 3 9KK HM2 1 1
10 4628 1 1 3 . HM3 H -6.583 2.543 5.429 1.00 . A A . 3 9KK HM3 1 1
10 4629 1 1 3 . N N -5.696 2.389 3.531 1.00 . A A . 3 9KK N 1 1
10 4630 1 1 3 . O O -2.955 3.080 4.115 1.00 . A A . 3 9KK O 1 1
10 4631 1 1 4 CYS C C -0.715 4.682 3.018 1.00 . A A . 4 CYS C 1 1
10 4632 1 1 4 CYS CA C -1.318 3.743 1.971 1.00 . A A . 4 CYS CA 1 1
10 4633 1 1 4 CYS CB C -0.786 4.091 0.577 1.00 . A A . 4 CYS CB 1 1
10 4634 1 1 4 CYS H H -3.259 4.058 1.174 1.00 . A A . 4 CYS H 1 1
10 4635 1 1 4 CYS HA H -1.020 2.736 2.209 1.00 . A A . 4 CYS HA 1 1
10 4636 1 1 4 CYS HB2 H -1.051 3.301 -0.108 1.00 . A A . 4 CYS HB2 1 1
10 4637 1 1 4 CYS HB3 H -1.239 5.014 0.248 1.00 . A A . 4 CYS HB3 1 1
10 4638 1 1 4 CYS N N -2.777 3.783 1.986 1.00 . A A . 4 CYS N 1 1
10 4639 1 1 4 CYS O O 0.339 4.397 3.583 1.00 . A A . 4 CYS O 1 1
10 4640 1 1 4 CYS SG S 1.007 4.296 0.511 1.00 . A A . 4 CYS SG 1 1
10 4641 1 1 5 THR C C 0.394 7.354 4.077 1.00 . A A . 5 THR C 1 1
10 4642 1 1 5 THR CA C -1.028 6.809 4.263 1.00 . A A . 5 THR CA 1 1
10 4643 1 1 5 THR CB C -1.202 6.295 5.717 1.00 . A A . 5 THR CB 1 1
10 4644 1 1 5 THR CG2 C -2.670 6.062 6.039 1.00 . A A . 5 THR CG2 1 1
10 4645 1 1 5 THR H H -2.218 5.959 2.736 1.00 . A A . 5 THR H 1 1
10 4646 1 1 5 THR HA H -1.710 7.638 4.133 1.00 . A A . 5 THR HA 1 1
10 4647 1 1 5 THR HB H -0.825 7.050 6.392 1.00 . A A . 5 THR HB 1 1
10 4648 1 1 5 THR HG1 H -0.046 4.809 5.106 1.00 . A A . 5 THR HG1 1 1
10 4649 1 1 5 THR HG21 H -2.764 5.703 7.052 1.00 . A A . 5 THR HG21 1 1
10 4650 1 1 5 THR HG22 H -3.077 5.328 5.358 1.00 . A A . 5 THR HG22 1 1
10 4651 1 1 5 THR HG23 H -3.214 6.989 5.934 1.00 . A A . 5 THR HG23 1 1
10 4652 1 1 5 THR N N -1.406 5.801 3.257 1.00 . A A . 5 THR N 1 1
10 4653 1 1 5 THR O O 0.927 8.013 4.967 1.00 . A A . 5 THR O 1 1
10 4654 1 1 5 THR OG1 O -0.471 5.080 5.934 1.00 . A A . 5 THR OG1 1 1
10 4655 1 1 6 TRP C C 2.248 9.065 2.223 1.00 . A A . 6 TRP C 1 1
10 4656 1 1 6 TRP CA C 2.329 7.602 2.635 1.00 . A A . 6 TRP CA 1 1
10 4657 1 1 6 TRP CB C 2.975 6.770 1.526 1.00 . A A . 6 TRP CB 1 1
10 4658 1 1 6 TRP CD1 C 5.036 8.046 0.713 1.00 . A A . 6 TRP CD1 1 1
10 4659 1 1 6 TRP CD2 C 5.500 6.182 1.857 1.00 . A A . 6 TRP CD2 1 1
10 4660 1 1 6 TRP CE2 C 6.710 6.782 1.469 1.00 . A A . 6 TRP CE2 1 1
10 4661 1 1 6 TRP CE3 C 5.543 4.993 2.589 1.00 . A A . 6 TRP CE3 1 1
10 4662 1 1 6 TRP CG C 4.441 7.009 1.366 1.00 . A A . 6 TRP CG 1 1
10 4663 1 1 6 TRP CH2 C 7.957 5.073 2.505 1.00 . A A . 6 TRP CH2 1 1
10 4664 1 1 6 TRP CZ2 C 7.947 6.235 1.787 1.00 . A A . 6 TRP CZ2 1 1
10 4665 1 1 6 TRP CZ3 C 6.772 4.451 2.905 1.00 . A A . 6 TRP CZ3 1 1
10 4666 1 1 6 TRP H H 0.531 6.571 2.247 1.00 . A A . 6 TRP H 1 1
10 4667 1 1 6 TRP HA H 2.920 7.521 3.533 1.00 . A A . 6 TRP HA 1 1
10 4668 1 1 6 TRP HB2 H 2.833 5.724 1.742 1.00 . A A . 6 TRP HB2 1 1
10 4669 1 1 6 TRP HB3 H 2.496 7.006 0.590 1.00 . A A . 6 TRP HB3 1 1
10 4670 1 1 6 TRP HD1 H 4.499 8.845 0.227 1.00 . A A . 6 TRP HD1 1 1
10 4671 1 1 6 TRP HE1 H 7.047 8.540 0.378 1.00 . A A . 6 TRP HE1 1 1
10 4672 1 1 6 TRP HE3 H 4.636 4.500 2.905 1.00 . A A . 6 TRP HE3 1 1
10 4673 1 1 6 TRP HH2 H 8.893 4.612 2.775 1.00 . A A . 6 TRP HH2 1 1
10 4674 1 1 6 TRP HZ2 H 8.874 6.702 1.487 1.00 . A A . 6 TRP HZ2 1 1
10 4675 1 1 6 TRP HZ3 H 6.825 3.534 3.470 1.00 . A A . 6 TRP HZ3 1 1
10 4676 1 1 6 TRP N N 0.994 7.102 2.920 1.00 . A A . 6 TRP N 1 1
10 4677 1 1 6 TRP NE1 N 6.399 7.917 0.772 1.00 . A A . 6 TRP NE1 1 1
10 4678 1 1 6 TRP O O 1.365 9.446 1.451 1.00 . A A . 6 TRP O 1 1
10 4679 1 1 7 ABA C C 3.203 11.610 1.000 1.00 . A A . 7 AIB C 1 1
10 4680 1 1 7 ABA CA C 3.186 11.315 2.506 1.00 . A A . 7 AIB CA 1 1
10 4681 1 1 7 ABA H H 3.870 9.475 3.303 1.00 . A A . 7 AIB H 1 1
10 4682 1 1 7 ABA N N 3.170 9.868 2.742 1.00 . A A . 7 AIB N 1 1
10 4683 1 1 7 ABA O O 4.171 11.289 0.306 1.00 . A A . 7 AIB O 1 1
10 4684 1 1 8 GLY C C 1.479 11.563 -1.792 1.00 . A A . 8 GLY C 1 1
10 4685 1 1 8 GLY CA C 2.082 12.614 -0.886 1.00 . A A . 8 GLY CA 1 1
10 4686 1 1 8 GLY H H 1.354 12.362 1.080 1.00 . A A . 8 GLY H 1 1
10 4687 1 1 8 GLY HA2 H 1.493 13.517 -0.959 1.00 . A A . 8 GLY HA2 1 1
10 4688 1 1 8 GLY HA3 H 3.089 12.825 -1.218 1.00 . A A . 8 GLY HA3 1 1
10 4689 1 1 8 GLY N N 2.128 12.205 0.500 1.00 . A A . 8 GLY N 1 1
10 4690 1 1 8 GLY O O 1.297 11.798 -2.988 1.00 . A A . 8 GLY O 1 1
10 4691 1 1 9 CYS C C -0.906 9.344 -2.017 1.00 . A A . 9 CYS C 1 1
10 4692 1 1 9 CYS CA C 0.622 9.311 -2.009 1.00 . A A . 9 CYS CA 1 1
10 4693 1 1 9 CYS CB C 1.132 7.979 -1.455 1.00 . A A . 9 CYS CB 1 1
10 4694 1 1 9 CYS H H 1.283 10.298 -0.259 1.00 . A A . 9 CYS H 1 1
10 4695 1 1 9 CYS HA H 0.975 9.427 -3.022 1.00 . A A . 9 CYS HA 1 1
10 4696 1 1 9 CYS HB2 H 2.205 8.026 -1.357 1.00 . A A . 9 CYS HB2 1 1
10 4697 1 1 9 CYS HB3 H 0.693 7.811 -0.483 1.00 . A A . 9 CYS HB3 1 1
10 4698 1 1 9 CYS N N 1.157 10.410 -1.228 1.00 . A A . 9 CYS N 1 1
10 4699 1 1 9 CYS O O -1.517 9.731 -3.016 1.00 . A A . 9 CYS O 1 1
10 4700 1 1 9 CYS SG S 0.735 6.559 -2.493 1.00 . A A . 9 CYS SG 1 1
10 4701 1 1 10 GLY C C -3.645 7.971 -1.720 1.00 . A A . 10 GLY C 1 1
10 4702 1 1 10 GLY CA C -2.970 8.978 -0.805 1.00 . A A . 10 GLY CA 1 1
10 4703 1 1 10 GLY H H -0.986 8.665 -0.137 1.00 . A A . 10 GLY H 1 1
10 4704 1 1 10 GLY HA2 H -3.251 8.763 0.214 1.00 . A A . 10 GLY HA2 1 1
10 4705 1 1 10 GLY HA3 H -3.318 9.966 -1.060 1.00 . A A . 10 GLY HA3 1 1
10 4706 1 1 10 GLY N N -1.520 8.956 -0.905 1.00 . A A . 10 GLY N 1 1
10 4707 1 1 10 GLY O O -4.418 8.344 -2.601 1.00 . A A . 10 GLY O 1 1
10 4708 1 1 11 LYS C C -4.801 4.719 -1.384 1.00 . A A . 11 LYS C 1 1
10 4709 1 1 11 LYS CA C -3.973 5.627 -2.294 1.00 . A A . 11 LYS CA 1 1
10 4710 1 1 11 LYS CB C -2.913 4.781 -3.011 1.00 . A A . 11 LYS CB 1 1
10 4711 1 1 11 LYS CD C -2.934 6.085 -5.169 1.00 . A A . 11 LYS CD 1 1
10 4712 1 1 11 LYS CE C -2.073 6.576 -6.322 1.00 . A A . 11 LYS CE 1 1
10 4713 1 1 11 LYS CG C -2.081 5.536 -4.036 1.00 . A A . 11 LYS CG 1 1
10 4714 1 1 11 LYS H H -2.696 6.459 -0.832 1.00 . A A . 11 LYS H 1 1
10 4715 1 1 11 LYS HA H -4.622 6.082 -3.026 1.00 . A A . 11 LYS HA 1 1
10 4716 1 1 11 LYS HB2 H -2.241 4.373 -2.269 1.00 . A A . 11 LYS HB2 1 1
10 4717 1 1 11 LYS HB3 H -3.408 3.963 -3.515 1.00 . A A . 11 LYS HB3 1 1
10 4718 1 1 11 LYS HD2 H -3.586 5.304 -5.528 1.00 . A A . 11 LYS HD2 1 1
10 4719 1 1 11 LYS HD3 H -3.524 6.909 -4.796 1.00 . A A . 11 LYS HD3 1 1
10 4720 1 1 11 LYS HE2 H -1.323 7.249 -5.934 1.00 . A A . 11 LYS HE2 1 1
10 4721 1 1 11 LYS HE3 H -1.591 5.727 -6.780 1.00 . A A . 11 LYS HE3 1 1
10 4722 1 1 11 LYS HG2 H -1.585 6.360 -3.543 1.00 . A A . 11 LYS HG2 1 1
10 4723 1 1 11 LYS HG3 H -1.342 4.863 -4.446 1.00 . A A . 11 LYS HG3 1 1
10 4724 1 1 11 LYS HZ1 H -2.279 7.510 -8.174 1.00 . A A . 11 LYS HZ1 1 1
10 4725 1 1 11 LYS HZ2 H -3.245 8.180 -6.961 1.00 . A A . 11 LYS HZ2 1 1
10 4726 1 1 11 LYS HZ3 H -3.670 6.699 -7.659 1.00 . A A . 11 LYS HZ3 1 1
10 4727 1 1 11 LYS N N -3.347 6.692 -1.518 1.00 . A A . 11 LYS N 1 1
10 4728 1 1 11 LYS NZ N -2.873 7.289 -7.349 1.00 . A A . 11 LYS NZ 1 1
10 4729 1 1 11 LYS O O -4.406 4.469 -0.242 1.00 . A A . 11 LYS O 1 1
10 4730 1 1 12 . C C -6.920 1.900 -1.810 1.00 . A A . 12 MMO C 1 1
10 4731 1 1 12 . CA C -6.743 3.239 -1.087 1.00 . A A . 12 MMO CA 1 1
10 4732 1 1 12 . CB C -8.102 3.902 -0.842 1.00 . A A . 12 MMO CB 1 1
10 4733 1 1 12 . CD C -9.427 5.561 0.491 1.00 . A A . 12 MMO CD 1 1
10 4734 1 1 12 . CG C -8.038 5.129 0.052 1.00 . A A . 12 MMO CG 1 1
10 4735 1 1 12 . CN C -6.448 4.671 -3.188 1.00 . A A . 12 MMO CN 1 1
10 4736 1 1 12 . CZ C -11.630 5.860 -0.581 1.00 . A A . 12 MMO CZ 1 1
10 4737 1 1 12 . HA H -6.268 3.050 -0.134 1.00 . A A . 12 MMO HA 1 1
10 4738 1 1 12 . HC1 H -5.655 4.575 -3.915 1.00 . A A . 12 MMO HC1 1 1
10 4739 1 1 12 . HC2 H -6.760 5.702 -3.127 1.00 . A A . 12 MMO HC2 1 1
10 4740 1 1 12 . HC3 H -7.285 4.058 -3.489 1.00 . A A . 12 MMO HC3 1 1
10 4741 1 1 12 . HCB1 H -8.756 3.182 -0.376 1.00 . A A . 12 MMO HCB1 1 1
10 4742 1 1 12 . HCB2 H -8.524 4.196 -1.791 1.00 . A A . 12 MMO HCB2 1 1
10 4743 1 1 12 . HCD1 H -9.339 6.445 1.105 1.00 . A A . 12 MMO HCD1 1 1
10 4744 1 1 12 . HCD2 H -9.867 4.764 1.070 1.00 . A A . 12 MMO HCD2 1 1
10 4745 1 1 12 . HCG1 H -7.574 5.939 -0.494 1.00 . A A . 12 MMO HCG1 1 1
10 4746 1 1 12 . HCG2 H -7.450 4.897 0.927 1.00 . A A . 12 MMO HCG2 1 1
10 4747 1 1 12 . HE H -9.866 6.061 -1.505 1.00 . A A . 12 MMO HE 1 1
10 4748 1 1 12 . HH11 H -13.346 6.133 -1.625 1.00 . A A . 12 MMO HH11 1 1
10 4749 1 1 12 . HH12 H -11.883 6.325 -2.539 1.00 . A A . 12 MMO HH12 1 1
10 4750 1 1 12 . HH21 H -11.715 5.398 1.393 1.00 . A A . 12 MMO HH21 1 1
10 4751 1 1 12 . HH22 H -13.249 5.610 0.615 1.00 . A A . 12 MMO HH22 1 1
10 4752 1 1 12 . N N -5.958 4.222 -1.864 1.00 . A A . 12 MMO N 1 1
10 4753 1 1 12 . NE N -10.299 5.855 -0.645 1.00 . A A . 12 MMO NE 1 1
10 4754 1 1 12 . NH1 N -12.343 6.129 -1.667 1.00 . A A . 12 MMO NH1 1 1
10 4755 1 1 12 . NH2 N -12.247 5.601 0.566 1.00 . A A . 12 MMO NH2 1 1
10 4756 1 1 12 . O O -7.056 1.833 -3.035 1.00 . A A . 12 MMO O 1 1
10 4757 1 1 13 PHE C C -7.998 -1.351 -0.822 1.00 . A A . 13 PHE C 1 1
10 4758 1 1 13 PHE CA C -6.963 -0.522 -1.564 1.00 . A A . 13 PHE CA 1 1
10 4759 1 1 13 PHE CB C -5.580 -1.157 -1.429 1.00 . A A . 13 PHE CB 1 1
10 4760 1 1 13 PHE CD1 C -4.273 -0.526 -3.460 1.00 . A A . 13 PHE CD1 1 1
10 4761 1 1 13 PHE CD2 C -3.776 0.579 -1.408 1.00 . A A . 13 PHE CD2 1 1
10 4762 1 1 13 PHE CE1 C -3.313 0.227 -4.101 1.00 . A A . 13 PHE CE1 1 1
10 4763 1 1 13 PHE CE2 C -2.811 1.332 -2.042 1.00 . A A . 13 PHE CE2 1 1
10 4764 1 1 13 PHE CG C -4.515 -0.358 -2.111 1.00 . A A . 13 PHE CG 1 1
10 4765 1 1 13 PHE CZ C -2.582 1.157 -3.392 1.00 . A A . 13 PHE CZ 1 1
10 4766 1 1 13 PHE H H -6.893 0.956 -0.058 1.00 . A A . 13 PHE H 1 1
10 4767 1 1 13 PHE HA H -7.231 -0.468 -2.607 1.00 . A A . 13 PHE HA 1 1
10 4768 1 1 13 PHE HB2 H -5.322 -1.229 -0.381 1.00 . A A . 13 PHE HB2 1 1
10 4769 1 1 13 PHE HB3 H -5.594 -2.143 -1.865 1.00 . A A . 13 PHE HB3 1 1
10 4770 1 1 13 PHE HD1 H -4.847 -1.255 -4.012 1.00 . A A . 13 PHE HD1 1 1
10 4771 1 1 13 PHE HD2 H -3.958 0.716 -0.351 1.00 . A A . 13 PHE HD2 1 1
10 4772 1 1 13 PHE HE1 H -3.132 0.086 -5.154 1.00 . A A . 13 PHE HE1 1 1
10 4773 1 1 13 PHE HE2 H -2.242 2.060 -1.485 1.00 . A A . 13 PHE HE2 1 1
10 4774 1 1 13 PHE HZ H -1.830 1.747 -3.893 1.00 . A A . 13 PHE HZ 1 1
10 4775 1 1 13 PHE N N -6.922 0.832 -1.033 1.00 . A A . 13 PHE N 1 1
10 4776 1 1 13 PHE O O -8.295 -1.085 0.341 1.00 . A A . 13 PHE O 1 1
10 4777 1 1 14 THR C C -8.944 -4.442 -0.259 1.00 . A A . 14 THR C 1 1
10 4778 1 1 14 THR CA C -9.570 -3.191 -0.878 1.00 . A A . 14 THR CA 1 1
10 4779 1 1 14 THR CB C -10.672 -3.580 -1.895 1.00 . A A . 14 THR CB 1 1
10 4780 1 1 14 THR CG2 C -10.119 -4.482 -2.992 1.00 . A A . 14 THR CG2 1 1
10 4781 1 1 14 THR H H -8.280 -2.520 -2.420 1.00 . A A . 14 THR H 1 1
10 4782 1 1 14 THR HA H -10.030 -2.617 -0.087 1.00 . A A . 14 THR HA 1 1
10 4783 1 1 14 THR HB H -11.048 -2.676 -2.353 1.00 . A A . 14 THR HB 1 1
10 4784 1 1 14 THR HG1 H -11.893 -5.113 -1.631 1.00 . A A . 14 THR HG1 1 1
10 4785 1 1 14 THR HG21 H -9.294 -3.987 -3.483 1.00 . A A . 14 THR HG21 1 1
10 4786 1 1 14 THR HG22 H -10.896 -4.688 -3.713 1.00 . A A . 14 THR HG22 1 1
10 4787 1 1 14 THR HG23 H -9.778 -5.406 -2.557 1.00 . A A . 14 THR HG23 1 1
10 4788 1 1 14 THR N N -8.553 -2.350 -1.490 1.00 . A A . 14 THR N 1 1
10 4789 1 1 14 THR O O -9.629 -5.258 0.360 1.00 . A A . 14 THR O 1 1
10 4790 1 1 14 THR OG1 O -11.756 -4.243 -1.231 1.00 . A A . 14 THR OG1 1 1
10 4791 1 1 15 ARG C C -5.606 -5.206 0.783 1.00 . A A . 15 ARG C 1 1
10 4792 1 1 15 ARG CA C -6.902 -5.695 0.160 1.00 . A A . 15 ARG CA 1 1
10 4793 1 1 15 ARG CB C -6.593 -6.744 -0.908 1.00 . A A . 15 ARG CB 1 1
10 4794 1 1 15 ARG CD C -7.500 -8.282 -2.668 1.00 . A A . 15 ARG CD 1 1
10 4795 1 1 15 ARG CG C -7.820 -7.474 -1.423 1.00 . A A . 15 ARG CG 1 1
10 4796 1 1 15 ARG CZ C -9.266 -8.698 -4.346 1.00 . A A . 15 ARG CZ 1 1
10 4797 1 1 15 ARG H H -7.144 -3.907 -0.932 1.00 . A A . 15 ARG H 1 1
10 4798 1 1 15 ARG HA H -7.517 -6.138 0.929 1.00 . A A . 15 ARG HA 1 1
10 4799 1 1 15 ARG HB2 H -6.113 -6.259 -1.743 1.00 . A A . 15 ARG HB2 1 1
10 4800 1 1 15 ARG HB3 H -5.916 -7.475 -0.490 1.00 . A A . 15 ARG HB3 1 1
10 4801 1 1 15 ARG HD2 H -7.126 -7.613 -3.429 1.00 . A A . 15 ARG HD2 1 1
10 4802 1 1 15 ARG HD3 H -6.739 -9.007 -2.426 1.00 . A A . 15 ARG HD3 1 1
10 4803 1 1 15 ARG HE H -9.027 -9.722 -2.643 1.00 . A A . 15 ARG HE 1 1
10 4804 1 1 15 ARG HG2 H -8.178 -8.142 -0.653 1.00 . A A . 15 ARG HG2 1 1
10 4805 1 1 15 ARG HG3 H -8.584 -6.750 -1.657 1.00 . A A . 15 ARG HG3 1 1
10 4806 1 1 15 ARG HH11 H -8.093 -7.085 -4.757 1.00 . A A . 15 ARG HH11 1 1
10 4807 1 1 15 ARG HH12 H -9.298 -7.464 -5.954 1.00 . A A . 15 ARG HH12 1 1
10 4808 1 1 15 ARG HH21 H -10.632 -10.191 -4.206 1.00 . A A . 15 ARG HH21 1 1
10 4809 1 1 15 ARG HH22 H -10.738 -9.218 -5.638 1.00 . A A . 15 ARG HH22 1 1
10 4810 1 1 15 ARG N N -7.635 -4.578 -0.416 1.00 . A A . 15 ARG N 1 1
10 4811 1 1 15 ARG NE N -8.674 -8.982 -3.184 1.00 . A A . 15 ARG NE 1 1
10 4812 1 1 15 ARG NH1 N -8.856 -7.668 -5.076 1.00 . A A . 15 ARG NH1 1 1
10 4813 1 1 15 ARG NH2 N -10.295 -9.427 -4.763 1.00 . A A . 15 ARG NH2 1 1
10 4814 1 1 15 ARG O O -4.847 -4.461 0.160 1.00 . A A . 15 ARG O 1 1
10 4815 1 1 16 SER C C -2.935 -5.859 2.138 1.00 . A A . 16 SER C 1 1
10 4816 1 1 16 SER CA C -4.178 -5.229 2.750 1.00 . A A . 16 SER CA 1 1
10 4817 1 1 16 SER CB C -4.308 -5.617 4.228 1.00 . A A . 16 SER CB 1 1
10 4818 1 1 16 SER H H -5.996 -6.259 2.433 1.00 . A A . 16 SER H 1 1
10 4819 1 1 16 SER HA H -4.097 -4.157 2.672 1.00 . A A . 16 SER HA 1 1
10 4820 1 1 16 SER HB2 H -5.250 -5.252 4.612 1.00 . A A . 16 SER HB2 1 1
10 4821 1 1 16 SER HB3 H -4.277 -6.692 4.319 1.00 . A A . 16 SER HB3 1 1
10 4822 1 1 16 SER HG H -2.988 -5.691 5.678 1.00 . A A . 16 SER HG 1 1
10 4823 1 1 16 SER N N -5.361 -5.638 2.012 1.00 . A A . 16 SER N 1 1
10 4824 1 1 16 SER O O -1.859 -5.264 2.135 1.00 . A A . 16 SER O 1 1
10 4825 1 1 16 SER OG O -3.258 -5.062 5.000 1.00 . A A . 16 SER OG 1 1
10 4826 1 1 17 . C C -1.890 -6.822 -1.387 1.00 . A A . 17 B3D C 1 1
10 4827 1 1 17 . CA C -2.266 -7.980 -0.502 1.00 . A A . 17 B3D CA 1 1
10 4828 1 1 17 . CB C -1.984 -7.737 0.982 1.00 . A A . 17 B3D CB 1 1
10 4829 1 1 17 . CD C -1.407 -9.046 3.096 1.00 . A A . 17 B3D CD 1 1
10 4830 1 1 17 . CG C -1.784 -9.124 1.626 1.00 . A A . 17 B3D CG 1 1
10 4831 1 1 17 . H H -3.960 -7.507 1.650 1.00 . A A . 17 B3D H 1 1
10 4832 1 1 17 . HA1 H -1.710 -8.846 -0.825 1.00 . A A . 17 B3D HA1 1 1
10 4833 1 1 17 . HA2 H -3.320 -8.171 -0.629 1.00 . A A . 17 B3D HA2 1 1
10 4834 1 1 17 . HB H -1.107 -7.069 1.104 1.00 . A A . 17 B3D HB 1 1
10 4835 1 1 17 . HG2 H -1.000 -9.646 1.100 1.00 . A A . 17 B3D HG2 1 1
10 4836 1 1 17 . HG3 H -2.701 -9.685 1.541 1.00 . A A . 17 B3D HG3 1 1
10 4837 1 1 17 . N N -3.084 -7.066 1.608 1.00 . A A . 17 B3D N 1 1
10 4838 1 1 17 . O O -0.711 -6.562 -1.628 1.00 . A A . 17 B3D O 1 1
10 4839 1 1 17 . OE1 O -2.321 -9.030 3.946 1.00 . A A . 17 B3D OE1 1 1
10 4840 1 1 17 . OE2 O -0.196 -9.004 3.407 1.00 . A A . 17 B3D OE2 1 1
10 4841 1 1 18 GLU C C -1.955 -3.848 -2.062 1.00 . A A . 18 GLU C 1 1
10 4842 1 1 18 GLU CA C -2.739 -4.963 -2.738 1.00 . A A . 18 GLU CA 1 1
10 4843 1 1 18 GLU CB C -4.099 -4.420 -3.168 1.00 . A A . 18 GLU CB 1 1
10 4844 1 1 18 GLU CD C -6.291 -4.848 -4.332 1.00 . A A . 18 GLU CD 1 1
10 4845 1 1 18 GLU CG C -4.893 -5.363 -4.053 1.00 . A A . 18 GLU CG 1 1
10 4846 1 1 18 GLU H H -3.820 -6.370 -1.600 1.00 . A A . 18 GLU H 1 1
10 4847 1 1 18 GLU HA H -2.199 -5.291 -3.610 1.00 . A A . 18 GLU HA 1 1
10 4848 1 1 18 GLU HB2 H -4.685 -4.220 -2.283 1.00 . A A . 18 GLU HB2 1 1
10 4849 1 1 18 GLU HB3 H -3.949 -3.496 -3.705 1.00 . A A . 18 GLU HB3 1 1
10 4850 1 1 18 GLU HG2 H -4.374 -5.479 -4.992 1.00 . A A . 18 GLU HG2 1 1
10 4851 1 1 18 GLU HG3 H -4.969 -6.320 -3.563 1.00 . A A . 18 GLU HG3 1 1
10 4852 1 1 18 GLU N N -2.913 -6.110 -1.855 1.00 . A A . 18 GLU N 1 1
10 4853 1 1 18 GLU O O -1.080 -3.245 -2.674 1.00 . A A . 18 GLU O 1 1
10 4854 1 1 18 GLU OE1 O -7.226 -5.671 -4.428 1.00 . A A . 18 GLU OE1 1 1
10 4855 1 1 18 GLU OE2 O -6.461 -3.618 -4.455 1.00 . A A . 18 GLU OE2 1 1
10 4856 1 1 19 LEU C C -0.142 -2.797 0.121 1.00 . A A . 19 LEU C 1 1
10 4857 1 1 19 LEU CA C -1.627 -2.501 -0.066 1.00 . A A . 19 LEU CA 1 1
10 4858 1 1 19 LEU CB C -2.299 -2.305 1.294 1.00 . A A . 19 LEU CB 1 1
10 4859 1 1 19 LEU CD1 C -1.610 0.094 1.605 1.00 . A A . 19 LEU CD1 1 1
10 4860 1 1 19 LEU CD2 C -2.307 -1.273 3.576 1.00 . A A . 19 LEU CD2 1 1
10 4861 1 1 19 LEU CG C -1.618 -1.297 2.222 1.00 . A A . 19 LEU CG 1 1
10 4862 1 1 19 LEU H H -3.000 -4.082 -0.372 1.00 . A A . 19 LEU H 1 1
10 4863 1 1 19 LEU HA H -1.727 -1.593 -0.639 1.00 . A A . 19 LEU HA 1 1
10 4864 1 1 19 LEU HB2 H -3.315 -1.979 1.123 1.00 . A A . 19 LEU HB2 1 1
10 4865 1 1 19 LEU HB3 H -2.326 -3.260 1.797 1.00 . A A . 19 LEU HB3 1 1
10 4866 1 1 19 LEU HD11 H -2.625 0.427 1.451 1.00 . A A . 19 LEU HD11 1 1
10 4867 1 1 19 LEU HD12 H -1.093 0.066 0.657 1.00 . A A . 19 LEU HD12 1 1
10 4868 1 1 19 LEU HD13 H -1.104 0.774 2.269 1.00 . A A . 19 LEU HD13 1 1
10 4869 1 1 19 LEU HD21 H -1.806 -0.568 4.223 1.00 . A A . 19 LEU HD21 1 1
10 4870 1 1 19 LEU HD22 H -2.269 -2.257 4.018 1.00 . A A . 19 LEU HD22 1 1
10 4871 1 1 19 LEU HD23 H -3.335 -0.975 3.449 1.00 . A A . 19 LEU HD23 1 1
10 4872 1 1 19 LEU HG H -0.593 -1.600 2.375 1.00 . A A . 19 LEU HG 1 1
10 4873 1 1 19 LEU N N -2.286 -3.566 -0.808 1.00 . A A . 19 LEU N 1 1
10 4874 1 1 19 LEU O O 0.704 -1.963 -0.187 1.00 . A A . 19 LEU O 1 1
10 4875 1 1 20 GLN C C 2.313 -4.520 -0.461 1.00 . A A . 20 GLN C 1 1
10 4876 1 1 20 GLN CA C 1.548 -4.385 0.855 1.00 . A A . 20 GLN CA 1 1
10 4877 1 1 20 GLN CB C 1.594 -5.702 1.633 1.00 . A A . 20 GLN CB 1 1
10 4878 1 1 20 GLN CD C 3.716 -5.136 2.914 1.00 . A A . 20 GLN CD 1 1
10 4879 1 1 20 GLN CG C 2.998 -6.135 2.023 1.00 . A A . 20 GLN CG 1 1
10 4880 1 1 20 GLN H H -0.561 -4.607 0.851 1.00 . A A . 20 GLN H 1 1
10 4881 1 1 20 GLN HA H 2.016 -3.614 1.446 1.00 . A A . 20 GLN HA 1 1
10 4882 1 1 20 GLN HB2 H 1.011 -5.595 2.533 1.00 . A A . 20 GLN HB2 1 1
10 4883 1 1 20 GLN HB3 H 1.159 -6.479 1.026 1.00 . A A . 20 GLN HB3 1 1
10 4884 1 1 20 GLN HE21 H 1.997 -4.542 3.721 1.00 . A A . 20 GLN HE21 1 1
10 4885 1 1 20 GLN HE22 H 3.421 -3.759 4.316 1.00 . A A . 20 GLN HE22 1 1
10 4886 1 1 20 GLN HG2 H 2.937 -7.076 2.549 1.00 . A A . 20 GLN HG2 1 1
10 4887 1 1 20 GLN HG3 H 3.579 -6.268 1.122 1.00 . A A . 20 GLN HG3 1 1
10 4888 1 1 20 GLN N N 0.165 -3.986 0.620 1.00 . A A . 20 GLN N 1 1
10 4889 1 1 20 GLN NE2 N 2.970 -4.406 3.730 1.00 . A A . 20 GLN NE2 1 1
10 4890 1 1 20 GLN O O 3.293 -3.805 -0.701 1.00 . A A . 20 GLN O 1 1
10 4891 1 1 20 GLN OE1 O 4.942 -5.032 2.870 1.00 . A A . 20 GLN OE1 1 1
10 4892 1 1 21 . C C 2.131 -3.610 -4.071 1.00 . A A . 21 HMR C 1 1
10 4893 1 1 21 . CA C 2.508 -5.625 -2.588 1.00 . A A . 21 HMR CA 1 1
10 4894 1 1 21 . CB C 2.605 -7.128 -2.892 1.00 . A A . 21 HMR CB 1 1
10 4895 1 1 21 . CD C 3.605 -9.368 -2.334 1.00 . A A . 21 HMR CD 1 1
10 4896 1 1 21 . CG C 3.509 -7.898 -1.942 1.00 . A A . 21 HMR CG 1 1
10 4897 1 1 21 . CH2 C 1.692 -5.002 -3.718 1.00 . A A . 21 HMR CH2 1 1
10 4898 1 1 21 . CZ C 4.927 -11.365 -1.722 1.00 . A A . 21 HMR CZ 1 1
10 4899 1 1 21 . H H 1.068 -5.960 -1.091 1.00 . A A . 21 HMR H 1 1
10 4900 1 1 21 . HA H 3.499 -5.134 -2.516 1.00 . A A . 21 HMR HA 1 1
10 4901 1 1 21 . HB2 H 2.984 -7.254 -3.894 1.00 . A A . 21 HMR HB2 1 1
10 4902 1 1 21 . HB3 H 1.616 -7.553 -2.836 1.00 . A A . 21 HMR HB3 1 1
10 4903 1 1 21 . HC1 H 1.786 -5.619 -4.597 1.00 . A A . 21 HMR HC1 1 1
10 4904 1 1 21 . HC2 H 0.653 -4.962 -3.420 1.00 . A A . 21 HMR HC2 1 1
10 4905 1 1 21 . HD2 H 3.842 -9.432 -3.386 1.00 . A A . 21 HMR HD2 1 1
10 4906 1 1 21 . HD3 H 2.651 -9.842 -2.152 1.00 . A A . 21 HMR HD3 1 1
10 4907 1 1 21 . HE H 5.141 -9.550 -0.907 1.00 . A A . 21 HMR HE 1 1
10 4908 1 1 21 . HG2 H 3.105 -7.828 -0.943 1.00 . A A . 21 HMR HG2 1 1
10 4909 1 1 21 . HG3 H 4.496 -7.463 -1.965 1.00 . A A . 21 HMR HG3 1 1
10 4910 1 1 21 . HH1 H 3.536 -11.699 -3.159 1.00 . A A . 21 HMR HH1 1 1
10 4911 1 1 21 . HH2 H 4.485 -13.080 -2.710 1.00 . A A . 21 HMR HH2 1 1
10 4912 1 1 21 . HH21 H 6.123 -12.884 -1.109 1.00 . A A . 21 HMR HH21 1 1
10 4913 1 1 21 . HH22 H 6.415 -11.354 -0.346 1.00 . A A . 21 HMR HH22 1 1
10 4914 1 1 21 . N N 1.866 -5.428 -1.318 1.00 . A A . 21 HMR N 1 1
10 4915 1 1 21 . NE N 4.636 -10.073 -1.572 1.00 . A A . 21 HMR NE 1 1
10 4916 1 1 21 . NH1 N 4.264 -12.107 -2.600 1.00 . A A . 21 HMR NH1 1 1
10 4917 1 1 21 . NH2 N 5.898 -11.911 -1.001 1.00 . A A . 21 HMR NH2 1 1
10 4918 1 1 21 . O O 3.072 -3.404 -4.842 1.00 . A A . 21 HMR O 1 1
10 4919 1 1 22 HIS C C 2.861 -0.697 -2.937 1.00 . A A . 22 HIS C 1 1
10 4920 1 1 22 HIS CA C 1.680 -1.238 -3.735 1.00 . A A . 22 HIS CA 1 1
10 4921 1 1 22 HIS CB C 0.421 -0.436 -3.406 1.00 . A A . 22 HIS CB 1 1
10 4922 1 1 22 HIS CD2 C 1.004 1.821 -2.307 1.00 . A A . 22 HIS CD2 1 1
10 4923 1 1 22 HIS CE1 C 0.921 3.116 -4.054 1.00 . A A . 22 HIS CE1 1 1
10 4924 1 1 22 HIS CG C 0.657 1.039 -3.359 1.00 . A A . 22 HIS CG 1 1
10 4925 1 1 22 HIS H H 0.748 -2.896 -2.829 1.00 . A A . 22 HIS H 1 1
10 4926 1 1 22 HIS HA H 1.895 -1.131 -4.785 1.00 . A A . 22 HIS HA 1 1
10 4927 1 1 22 HIS HB2 H -0.328 -0.629 -4.157 1.00 . A A . 22 HIS HB2 1 1
10 4928 1 1 22 HIS HB3 H 0.046 -0.746 -2.442 1.00 . A A . 22 HIS HB3 1 1
10 4929 1 1 22 HIS HD1 H 0.358 1.614 -5.381 1.00 . A A . 22 HIS HD1 1 1
10 4930 1 1 22 HIS HD2 H 1.125 1.505 -1.282 1.00 . A A . 22 HIS HD2 1 1
10 4931 1 1 22 HIS HE1 H 0.973 3.988 -4.687 1.00 . A A . 22 HIS HE1 1 1
10 4932 1 1 22 HIS N N 1.449 -2.645 -3.472 1.00 . A A . 22 HIS N 1 1
10 4933 1 1 22 HIS ND1 N 0.600 1.878 -4.465 1.00 . A A . 22 HIS ND1 1 1
10 4934 1 1 22 HIS NE2 N 1.167 3.102 -2.767 1.00 . A A . 22 HIS NE2 1 1
10 4935 1 1 22 HIS O O 3.758 -0.086 -3.512 1.00 . A A . 22 HIS O 1 1
10 4936 1 1 23 LYS C C 5.247 -0.676 -1.268 1.00 . A A . 23 LYS C 1 1
10 4937 1 1 23 LYS CA C 3.865 -0.344 -0.732 1.00 . A A . 23 LYS CA 1 1
10 4938 1 1 23 LYS CB C 3.702 -0.880 0.696 1.00 . A A . 23 LYS CB 1 1
10 4939 1 1 23 LYS CD C 4.281 1.199 2.023 1.00 . A A . 23 LYS CD 1 1
10 4940 1 1 23 LYS CE C 2.947 1.294 2.756 1.00 . A A . 23 LYS CE 1 1
10 4941 1 1 23 LYS CG C 4.652 -0.246 1.707 1.00 . A A . 23 LYS CG 1 1
10 4942 1 1 23 LYS H H 2.117 -1.441 -1.227 1.00 . A A . 23 LYS H 1 1
10 4943 1 1 23 LYS HA H 3.747 0.728 -0.725 1.00 . A A . 23 LYS HA 1 1
10 4944 1 1 23 LYS HB2 H 2.690 -0.693 1.021 1.00 . A A . 23 LYS HB2 1 1
10 4945 1 1 23 LYS HB3 H 3.876 -1.946 0.690 1.00 . A A . 23 LYS HB3 1 1
10 4946 1 1 23 LYS HD2 H 5.052 1.629 2.646 1.00 . A A . 23 LYS HD2 1 1
10 4947 1 1 23 LYS HD3 H 4.216 1.751 1.099 1.00 . A A . 23 LYS HD3 1 1
10 4948 1 1 23 LYS HE2 H 2.159 0.972 2.090 1.00 . A A . 23 LYS HE2 1 1
10 4949 1 1 23 LYS HE3 H 2.976 0.642 3.616 1.00 . A A . 23 LYS HE3 1 1
10 4950 1 1 23 LYS HG2 H 4.621 -0.820 2.621 1.00 . A A . 23 LYS HG2 1 1
10 4951 1 1 23 LYS HG3 H 5.653 -0.268 1.301 1.00 . A A . 23 LYS HG3 1 1
10 4952 1 1 23 LYS HZ1 H 3.396 3.007 3.868 1.00 . A A . 23 LYS HZ1 1 1
10 4953 1 1 23 LYS HZ2 H 1.740 2.713 3.704 1.00 . A A . 23 LYS HZ2 1 1
10 4954 1 1 23 LYS HZ3 H 2.618 3.329 2.400 1.00 . A A . 23 LYS HZ3 1 1
10 4955 1 1 23 LYS N N 2.840 -0.898 -1.617 1.00 . A A . 23 LYS N 1 1
10 4956 1 1 23 LYS NZ N 2.655 2.682 3.210 1.00 . A A . 23 LYS NZ 1 1
10 4957 1 1 23 LYS O O 6.134 0.186 -1.334 1.00 . A A . 23 LYS O 1 1
10 4958 1 1 24 . C C 7.142 -1.189 -4.466 1.00 . A A . 24 HMR C 1 1
10 4959 1 1 24 . CA C 6.662 -2.350 -2.248 1.00 . A A . 24 HMR CA 1 1
10 4960 1 1 24 . CB C 6.970 -3.767 -1.742 1.00 . A A . 24 HMR CB 1 1
10 4961 1 1 24 . CD C 8.627 -5.638 -1.546 1.00 . A A . 24 HMR CD 1 1
10 4962 1 1 24 . CG C 8.257 -4.361 -2.283 1.00 . A A . 24 HMR CG 1 1
10 4963 1 1 24 . CH2 C 6.557 -2.400 -3.776 1.00 . A A . 24 HMR CH2 1 1
10 4964 1 1 24 . CZ C 10.750 -6.880 -1.351 1.00 . A A . 24 HMR CZ 1 1
10 4965 1 1 24 . H H 4.678 -2.568 -1.584 1.00 . A A . 24 HMR H 1 1
10 4966 1 1 24 . HA H 7.421 -1.610 -1.938 1.00 . A A . 24 HMR HA 1 1
10 4967 1 1 24 . HB2 H 6.154 -4.417 -2.023 1.00 . A A . 24 HMR HB2 1 1
10 4968 1 1 24 . HB3 H 7.039 -3.740 -0.667 1.00 . A A . 24 HMR HB3 1 1
10 4969 1 1 24 . HC1 H 7.076 -3.271 -4.133 1.00 . A A . 24 HMR HC1 1 1
10 4970 1 1 24 . HC2 H 5.516 -2.473 -4.053 1.00 . A A . 24 HMR HC2 1 1
10 4971 1 1 24 . HD2 H 7.809 -6.338 -1.632 1.00 . A A . 24 HMR HD2 1 1
10 4972 1 1 24 . HD3 H 8.790 -5.402 -0.506 1.00 . A A . 24 HMR HD3 1 1
10 4973 1 1 24 . HE H 9.966 -6.199 -3.066 1.00 . A A . 24 HMR HE 1 1
10 4974 1 1 24 . HG2 H 9.054 -3.645 -2.165 1.00 . A A . 24 HMR HG2 1 1
10 4975 1 1 24 . HG3 H 8.125 -4.590 -3.328 1.00 . A A . 24 HMR HG3 1 1
10 4976 1 1 24 . HH1 H 11.949 -7.307 -2.928 1.00 . A A . 24 HMR HH1 1 1
10 4977 1 1 24 . HH2 H 12.516 -7.870 -1.388 1.00 . A A . 24 HMR HH2 1 1
10 4978 1 1 24 . HH21 H 9.785 -6.598 0.412 1.00 . A A . 24 HMR HH21 1 1
10 4979 1 1 24 . HH22 H 11.282 -7.465 0.518 1.00 . A A . 24 HMR HH22 1 1
10 4980 1 1 24 . N N 5.420 -1.921 -1.677 1.00 . A A . 24 HMR N 1 1
10 4981 1 1 24 . NE N 9.837 -6.250 -2.089 1.00 . A A . 24 HMR NE 1 1
10 4982 1 1 24 . NH1 N 11.824 -7.394 -1.933 1.00 . A A . 24 HMR NH1 1 1
10 4983 1 1 24 . NH2 N 10.594 -6.991 -0.036 1.00 . A A . 24 HMR NH2 1 1
10 4984 1 1 24 . O O 8.269 -1.215 -4.963 1.00 . A A . 24 HMR O 1 1
10 4985 1 1 25 THR C C 7.633 1.981 -4.292 1.00 . A A . 25 THR C 1 1
10 4986 1 1 25 THR CA C 6.742 1.111 -5.172 1.00 . A A . 25 THR CA 1 1
10 4987 1 1 25 THR CB C 5.503 1.925 -5.599 1.00 . A A . 25 THR CB 1 1
10 4988 1 1 25 THR CG2 C 4.681 1.175 -6.635 1.00 . A A . 25 THR CG2 1 1
10 4989 1 1 25 THR H H 5.490 -0.151 -4.037 1.00 . A A . 25 THR H 1 1
10 4990 1 1 25 THR HA H 7.289 0.840 -6.060 1.00 . A A . 25 THR HA 1 1
10 4991 1 1 25 THR HB H 5.839 2.855 -6.032 1.00 . A A . 25 THR HB 1 1
10 4992 1 1 25 THR HG1 H 4.131 1.446 -4.251 1.00 . A A . 25 THR HG1 1 1
10 4993 1 1 25 THR HG21 H 5.283 1.000 -7.514 1.00 . A A . 25 THR HG21 1 1
10 4994 1 1 25 THR HG22 H 3.816 1.765 -6.902 1.00 . A A . 25 THR HG22 1 1
10 4995 1 1 25 THR HG23 H 4.360 0.230 -6.224 1.00 . A A . 25 THR HG23 1 1
10 4996 1 1 25 THR N N 6.359 -0.114 -4.491 1.00 . A A . 25 THR N 1 1
10 4997 1 1 25 THR O O 8.693 2.437 -4.726 1.00 . A A . 25 THR O 1 1
10 4998 1 1 25 THR OG1 O 4.682 2.216 -4.457 1.00 . A A . 25 THR OG1 1 1
10 4999 1 1 26 HIS C C 9.144 2.248 -1.583 1.00 . A A . 26 HIS C 1 1
10 5000 1 1 26 HIS CA C 7.969 3.038 -2.136 1.00 . A A . 26 HIS CA 1 1
10 5001 1 1 26 HIS CB C 7.102 3.525 -0.966 1.00 . A A . 26 HIS CB 1 1
10 5002 1 1 26 HIS CD2 C 4.546 3.762 -1.254 1.00 . A A . 26 HIS CD2 1 1
10 5003 1 1 26 HIS CE1 C 4.424 5.818 -1.966 1.00 . A A . 26 HIS CE1 1 1
10 5004 1 1 26 HIS CG C 5.822 4.212 -1.348 1.00 . A A . 26 HIS CG 1 1
10 5005 1 1 26 HIS H H 6.382 1.768 -2.741 1.00 . A A . 26 HIS H 1 1
10 5006 1 1 26 HIS HA H 8.339 3.889 -2.687 1.00 . A A . 26 HIS HA 1 1
10 5007 1 1 26 HIS HB2 H 6.838 2.675 -0.356 1.00 . A A . 26 HIS HB2 1 1
10 5008 1 1 26 HIS HB3 H 7.679 4.217 -0.369 1.00 . A A . 26 HIS HB3 1 1
10 5009 1 1 26 HIS HD1 H 6.488 6.129 -1.985 1.00 . A A . 26 HIS HD1 1 1
10 5010 1 1 26 HIS HD2 H 4.236 2.779 -0.938 1.00 . A A . 26 HIS HD2 1 1
10 5011 1 1 26 HIS HE1 H 4.034 6.766 -2.306 1.00 . A A . 26 HIS HE1 1 1
10 5012 1 1 26 HIS N N 7.212 2.198 -3.051 1.00 . A A . 26 HIS N 1 1
10 5013 1 1 26 HIS ND1 N 5.732 5.523 -1.812 1.00 . A A . 26 HIS ND1 1 1
10 5014 1 1 26 HIS NE2 N 3.698 4.780 -1.637 1.00 . A A . 26 HIS NE2 1 1
10 5015 1 1 26 HIS O O 10.241 2.775 -1.392 1.00 . A A . 26 HIS O 1 1
10 5016 1 1 27 . C C 11.647 -1.437 -1.878 1.00 . A A . 27 B3T C 1 1
10 5017 1 1 27 . CA C 10.172 -1.097 -1.749 1.00 . A A . 27 B3T CA 1 1
10 5018 1 1 27 . CB C 9.917 0.077 -0.800 1.00 . A A . 27 B3T CB 1 1
10 5019 1 1 27 . CD2 C 9.459 0.688 1.596 1.00 . A A . 27 B3T CD2 1 1
10 5020 1 1 27 . CG C 9.486 -0.439 0.580 1.00 . A A . 27 B3T CG 1 1
10 5021 1 1 27 . H1D2 H 9.121 0.307 2.548 1.00 . A A . 27 B3T H1D2 1 1
10 5022 1 1 27 . H2D2 H 8.787 1.461 1.257 1.00 . A A . 27 B3T H2D2 1 1
10 5023 1 1 27 . H3D2 H 10.452 1.099 1.705 1.00 . A A . 27 B3T H3D2 1 1
10 5024 1 1 27 . HA H 9.793 -0.846 -2.728 1.00 . A A . 27 B3T HA 1 1
10 5025 1 1 27 . HAA H 9.653 -1.966 -1.377 1.00 . A A . 27 B3T HAA 1 1
10 5026 1 1 27 . HB H 10.827 0.641 -0.680 1.00 . A A . 27 B3T HB 1 1
10 5027 1 1 27 . HG H 10.192 -1.188 0.909 1.00 . A A . 27 B3T HG 1 1
10 5028 1 1 27 . HN H 8.006 0.611 -1.535 1.00 . A A . 27 B3T HN 1 1
10 5029 1 1 27 . HOD1 H 7.606 -0.442 -0.019 1.00 . A A . 27 B3T HOD1 1 1
10 5030 1 1 27 . N N 8.901 0.967 -1.343 1.00 . A A . 27 B3T N 1 1
10 5031 1 1 27 . O O 12.497 -0.781 -1.279 1.00 . A A . 27 B3T O 1 1
10 5032 1 1 27 . OD1 O 8.184 -1.027 0.485 1.00 . A A . 27 B3T OD1 1 1
10 5033 1 1 28 GLY C C 14.031 -3.349 -1.651 1.00 . A A . 28 GLY C 1 1
10 5034 1 1 28 GLY CA C 13.332 -2.846 -2.899 1.00 . A A . 28 GLY CA 1 1
10 5035 1 1 28 GLY H H 11.227 -2.975 -3.091 1.00 . A A . 28 GLY H 1 1
10 5036 1 1 28 GLY HA2 H 13.357 -3.623 -3.648 1.00 . A A . 28 GLY HA2 1 1
10 5037 1 1 28 GLY HA3 H 13.867 -1.986 -3.273 1.00 . A A . 28 GLY HA3 1 1
10 5038 1 1 28 GLY N N 11.950 -2.468 -2.663 1.00 . A A . 28 GLY N 1 1
10 5039 1 1 28 GLY O O 15.164 -2.956 -1.370 1.00 . A A . 28 GLY O 1 1
10 5040 1 1 29 GLU C C 14.281 -3.687 1.311 1.00 . A A . 29 GLU C 1 1
10 5041 1 1 29 GLU CA C 13.889 -4.791 0.329 1.00 . A A . 29 GLU CA 1 1
10 5042 1 1 29 GLU CB C 15.093 -5.692 0.016 1.00 . A A . 29 GLU CB 1 1
10 5043 1 1 29 GLU CD C 16.771 -7.367 0.892 1.00 . A A . 29 GLU CD 1 1
10 5044 1 1 29 GLU CG C 15.502 -6.591 1.171 1.00 . A A . 29 GLU CG 1 1
10 5045 1 1 29 GLU H H 12.434 -4.451 -1.173 1.00 . A A . 29 GLU H 1 1
10 5046 1 1 29 GLU HA H 13.111 -5.392 0.779 1.00 . A A . 29 GLU HA 1 1
10 5047 1 1 29 GLU HB2 H 14.851 -6.315 -0.829 1.00 . A A . 29 GLU HB2 1 1
10 5048 1 1 29 GLU HB3 H 15.934 -5.067 -0.239 1.00 . A A . 29 GLU HB3 1 1
10 5049 1 1 29 GLU HG2 H 15.658 -5.980 2.046 1.00 . A A . 29 GLU HG2 1 1
10 5050 1 1 29 GLU HG3 H 14.705 -7.293 1.361 1.00 . A A . 29 GLU HG3 1 1
10 5051 1 1 29 GLU N N 13.344 -4.209 -0.899 1.00 . A A . 29 GLU N 1 1
10 5052 1 1 29 GLU O O 15.416 -3.624 1.789 1.00 . A A . 29 GLU O 1 1
10 5053 1 1 29 GLU OE1 O 17.863 -6.874 1.252 1.00 . A A . 29 GLU OE1 1 1
10 5054 1 1 29 GLU OE2 O 16.688 -8.476 0.323 1.00 . A A . 29 GLU OE2 1 1
10 5055 1 1 30 LYS C C 12.591 -1.789 3.676 1.00 . A A . 30 LYS C 1 1
10 5056 1 1 30 LYS CA C 13.566 -1.705 2.510 1.00 . A A . 30 LYS CA 1 1
10 5057 1 1 30 LYS CB C 13.419 -0.364 1.784 1.00 . A A . 30 LYS CB 1 1
10 5058 1 1 30 LYS CD C 13.617 2.134 1.864 1.00 . A A . 30 LYS CD 1 1
10 5059 1 1 30 LYS CE C 14.019 3.336 2.702 1.00 . A A . 30 LYS CE 1 1
10 5060 1 1 30 LYS CG C 13.802 0.837 2.630 1.00 . A A . 30 LYS CG 1 1
10 5061 1 1 30 LYS H H 12.451 -2.907 1.179 1.00 . A A . 30 LYS H 1 1
10 5062 1 1 30 LYS HA H 14.573 -1.794 2.890 1.00 . A A . 30 LYS HA 1 1
10 5063 1 1 30 LYS HB2 H 14.048 -0.372 0.907 1.00 . A A . 30 LYS HB2 1 1
10 5064 1 1 30 LYS HB3 H 12.391 -0.246 1.476 1.00 . A A . 30 LYS HB3 1 1
10 5065 1 1 30 LYS HD2 H 14.232 2.106 0.978 1.00 . A A . 30 LYS HD2 1 1
10 5066 1 1 30 LYS HD3 H 12.578 2.233 1.583 1.00 . A A . 30 LYS HD3 1 1
10 5067 1 1 30 LYS HE2 H 13.448 3.331 3.618 1.00 . A A . 30 LYS HE2 1 1
10 5068 1 1 30 LYS HE3 H 15.071 3.259 2.934 1.00 . A A . 30 LYS HE3 1 1
10 5069 1 1 30 LYS HG2 H 13.183 0.858 3.515 1.00 . A A . 30 LYS HG2 1 1
10 5070 1 1 30 LYS HG3 H 14.839 0.745 2.916 1.00 . A A . 30 LYS HG3 1 1
10 5071 1 1 30 LYS HZ1 H 14.065 5.415 2.582 1.00 . A A . 30 LYS HZ1 1 1
10 5072 1 1 30 LYS HZ2 H 12.764 4.713 1.765 1.00 . A A . 30 LYS HZ2 1 1
10 5073 1 1 30 LYS HZ3 H 14.317 4.640 1.101 1.00 . A A . 30 LYS HZ3 1 1
10 5074 1 1 30 LYS N N 13.335 -2.807 1.594 1.00 . A A . 30 LYS N 1 1
10 5075 1 1 30 LYS NZ N 13.774 4.613 1.988 1.00 . A A . 30 LYS NZ 1 1
10 5076 1 1 30 LYS O O 11.482 -1.254 3.623 1.00 . A A . 30 LYS O 1 1
10 5077 1 1 31 NH2 HN1 H 13.896 -2.879 4.689 1.00 . A A . 31 NH2 HN1 1 1
10 5078 1 1 31 NH2 HN2 H 12.392 -2.571 5.484 1.00 . A A . 31 NH2 HN2 1 1
10 5079 1 1 31 NH2 N N 12.999 -2.482 4.721 1.00 . A A . 31 NH2 N 1 1
10 5080 2 2 1 ZN ZN ZN 1.702 4.656 -1.650 1.00 . B A . 101 ZN ZN 1 1
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