NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
583403 |
2mgt   |
19602 | cing | 4-filtered-FRED | STAR | entry | full | 255 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2mgt
# This FRED archive file contains, for PDB entry <2mgt>:
#
# - 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_2mgt
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2mgt
_Assembly.Number_of_components 3
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 4093.61
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 $Amyloid_beta_A4_protein A . 1 1
2 . 1 $Amyloid_beta_A4_protein B . 1 1
3 . 2 $ZINC_ION C . 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
3 2 ZN 1 ZN 1 1
stop_
save_
save_Amyloid_beta_A4_protein
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Amyloid beta A4 protein"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XDAEFRRDSGYEVHHQKX
_Entity.Number_of_monomers 18
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 ACE $ACE 1 1
2 ASP . 1 1
3 ALA . 1 1
4 GLU . 1 1
5 PHE . 1 1
6 ARG . 1 1
7 ARG . 1 1
8 ASP . 1 1
9 SER . 1 1
10 GLY . 1 1
11 TYR . 1 1
12 GLU . 1 1
13 VAL . 1 1
14 HIS . 1 1
15 HIS . 1 1
16 GLN . 1 1
17 LYS . 1 1
18 NH2 $NH2 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
ACE 1 1 1 1
ASP 2 2 1 1
ALA 3 3 1 1
GLU 4 4 1 1
PHE 5 5 1 1
ARG 6 6 1 1
ARG 7 7 1 1
ASP 8 8 1 1
SER 9 9 1 1
GLY 10 10 1 1
TYR 11 11 1 1
GLU 12 12 1 1
VAL 13 13 1 1
HIS 14 14 1 1
HIS 15 15 1 1
GLN 16 16 1 1
LYS 17 17 1 1
NH2 18 18 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_ZN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ZN
_Chem_comp.Type non-polymer
save_
save_ACE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ACE
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
119 1 . . . 1 1
120 1 . . . 1 1
121 1 . . . 1 1
122 1 . . . 1 1
123 1 . . . 1 1
124 1 . . . 1 1
125 1 . . . 1 1
126 1 . . . 1 1
127 1 . . . 1 1
128 1 . . . 1 1
129 1 . . . 1 1
130 1 . . . 1 1
131 1 . . . 1 1
132 1 . . . 1 1
133 1 . . . 1 1
134 1 . . . 1 1
135 1 . . . 1 1
136 1 . . . 1 1
137 1 . . . 1 1
138 1 . . . 1 1
139 1 . . . 1 1
140 1 . . . 1 1
141 1 . . . 1 1
142 1 . . . 1 1
143 1 . . . 1 1
144 1 . . . 1 1
145 1 . . . 1 1
146 1 . . . 1 1
147 1 . . . 1 1
148 1 . . . 1 1
149 1 . . . 1 1
150 1 . . . 1 1
151 1 . . . 1 1
152 1 . . . 1 1
153 1 . . . 1 1
154 1 . . . 1 1
155 1 . . . 1 1
156 1 . . . 1 1
157 1 . . . 1 1
158 1 . . . 1 1
159 1 . . . 1 1
160 1 . . . 1 1
161 1 . . . 1 1
162 1 . . . 1 1
163 1 . . . 1 1
164 1 . . . 1 1
165 1 . . . 1 1
166 1 . . . 1 1
167 1 . . . 1 1
168 1 . . . 1 1
169 1 . . . 1 1
170 1 . . . 1 1
171 1 . . . 1 1
172 1 . . . 1 1
173 1 . . . 1 1
174 1 . . . 1 1
175 1 . . . 1 1
176 1 . . . 1 1
177 1 . . . 1 1
178 1 . . . 1 1
179 1 . . . 1 1
180 1 . . . 1 1
181 1 . . . 1 1
182 1 . . . 1 1
183 1 . . . 1 1
184 1 . . . 1 1
185 1 . . . 1 1
186 1 . . . 1 1
187 1 . . . 1 1
188 1 . . . 1 1
189 1 . . . 1 1
190 1 . . . 1 1
191 1 . . . 1 1
192 1 . . . 1 1
193 1 . . . 1 1
194 1 . . . 1 1
195 1 . . . 1 1
196 1 . . . 1 1
197 1 . . . 1 1
198 1 . . . 1 1
199 1 . . . 1 1
200 1 . . . 1 1
201 1 . . . 1 1
202 1 . . . 1 1
203 1 . . . 1 1
204 1 . . . 1 1
205 1 . . . 1 1
206 1 . . . 1 1
207 1 . . . 1 1
208 1 . . . 1 1
209 1 . . . 1 1
210 1 . . . 1 1
211 1 . . . 1 1
212 1 . . . 1 1
213 1 . . . 1 1
214 1 . . . 1 1
215 1 . . . 1 1
216 1 . . . 1 1
217 1 . . . 1 1
218 1 . . . 1 1
219 1 . . . 1 1
220 1 . . . 1 1
221 1 . . . 1 1
222 1 . . . 1 1
223 1 . . . 1 1
224 1 . . . 1 1
225 1 . . . 1 1
226 1 . . . 1 1
227 1 . . . 1 1
228 1 . . . 1 1
229 1 . . . 1 1
230 1 . . . 1 1
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 6 ARG QD A 5 . HD* 1 1
1 1 2 1 1 13 VAL HA A 12 . HA 1 1
2 1 1 1 1 5 PHE QD A 4 . HD* 1 1
2 1 2 1 1 13 VAL HA A 12 . HA 1 1
3 1 1 1 1 11 TYR QD A 10 . HD* 1 1
3 1 2 1 1 16 GLN QB A 15 . HB1 1 1
4 1 1 1 1 11 TYR QD A 10 . HD* 1 1
4 1 2 1 1 16 GLN QG A 15 . HG* 1 1
5 1 1 1 1 11 TYR HB3 A 10 . HB2 1 1
5 1 2 1 1 13 VAL HA A 12 . HA 1 1
6 1 1 1 1 2 ASP HB3 A 1 . HB1 1 1
6 1 2 1 1 5 PHE H A 4 . H 1 1
7 1 1 1 1 2 ASP HB3 A 1 . HB1 1 1
7 1 2 1 1 5 PHE QD A 4 . HD* 1 1
8 1 1 1 1 3 ALA MB A 2 . HB* 1 1
8 1 2 1 1 5 PHE H A 4 . H 1 1
9 1 1 1 1 3 ALA MB A 2 . HB* 1 1
9 1 2 1 1 7 ARG QD A 6 . HD* 1 1
10 1 1 1 1 4 GLU QG A 3 . HG2 1 1
10 1 2 1 1 7 ARG HE A 6 . HE 1 1
11 1 1 1 1 5 PHE HA A 4 . HA 1 1
11 1 2 1 1 7 ARG HE A 6 . HE 1 1
12 1 1 1 1 5 PHE QD A 4 . HD* 1 1
12 1 2 1 1 7 ARG H A 6 . H 1 1
13 1 1 1 1 5 PHE QD A 4 . HD* 1 1
13 1 2 1 1 7 ARG HG2 A 6 . HG2 1 1
14 1 1 1 1 5 PHE HA A 4 . HA 1 1
14 1 2 1 1 7 ARG HG2 A 6 . HG2 1 1
15 1 1 1 1 5 PHE QD A 4 . HD* 1 1
15 1 2 1 1 7 ARG QB A 6 . HB2 1 1
16 1 1 1 1 7 ARG QB A 6 . HB2 1 1
16 1 2 1 1 11 TYR QE A 10 . HE* 1 1
17 1 1 1 1 7 ARG HG2 A 6 . HG2 1 1
17 1 2 1 1 11 TYR QE A 10 . HE* 1 1
18 1 1 1 1 9 SER HA A 8 . HA 1 1
18 1 2 1 1 11 TYR QD A 10 . HD* 1 1
19 1 1 1 1 12 GLU QG A 11 . HG* 1 1
19 1 2 1 1 14 HIS H A 13 . H 1 1
20 1 1 1 1 12 GLU HA A 11 . HA 1 1
20 1 2 1 1 14 HIS H A 13 . H 1 1
21 1 1 1 1 10 GLY QA A 9 . HA* 1 1
21 1 2 1 1 11 TYR QE A 10 . HE* 1 1
22 1 1 1 1 11 TYR QD A 10 . HD* 1 1
22 1 2 1 1 13 VAL MG1 A 12 . HG1* 1 1
23 1 1 1 1 11 TYR QD A 10 . HD* 1 1
23 1 2 1 1 13 VAL MG2 A 12 . HG2* 1 1
24 1 1 1 1 11 TYR QE A 10 . HE* 1 1
24 1 2 1 1 13 VAL MG1 A 12 . HG1* 1 1
25 1 1 1 1 11 TYR QE A 10 . HE* 1 1
25 1 2 1 1 13 VAL MG2 A 12 . HG2* 1 1
26 1 1 1 1 13 VAL H A 12 . H 1 1
26 1 2 1 1 15 HIS H A 14 . H 1 1
27 1 1 1 1 2 ASP HB3 A 1 . HB2 1 1
27 1 2 1 1 3 ALA H A 2 . H 1 1
28 1 1 1 1 2 ASP HA A 1 . HA 1 1
28 1 2 1 1 3 ALA H A 2 . H 1 1
29 1 1 1 1 2 ASP HA A 1 . HA 1 1
29 1 2 1 1 3 ALA MB A 2 . HB* 1 1
30 1 1 1 1 2 ASP HB3 A 1 . HB1 1 1
30 1 2 1 1 3 ALA MB A 2 . HB* 1 1
31 1 1 1 1 3 ALA MB A 2 . HB* 1 1
31 1 2 1 1 4 GLU QG A 3 . HG1 1 1
32 1 1 1 1 3 ALA HA A 2 . HA 1 1
32 1 2 1 1 4 GLU H A 3 . H 1 1
33 1 1 1 1 3 ALA MB A 2 . HB* 1 1
33 1 2 1 1 4 GLU H A 3 . H 1 1
34 1 1 1 1 4 GLU QG A 3 . HG1 1 1
34 1 2 1 1 5 PHE QD A 4 . HD* 1 1
35 1 1 1 1 4 GLU HA A 3 . HA 1 1
35 1 2 1 1 5 PHE H A 4 . H 1 1
36 1 1 1 1 4 GLU HA A 3 . HA 1 1
36 1 2 1 1 5 PHE QD A 4 . HD* 1 1
37 1 1 1 1 4 GLU QG A 3 . HG2 1 1
37 1 2 1 1 5 PHE H A 4 . H 1 1
38 1 1 1 1 4 GLU QB A 3 . HB* 1 1
38 1 2 1 1 5 PHE H A 4 . H 1 1
39 1 1 1 1 4 GLU QB A 3 . HB* 1 1
39 1 2 1 1 5 PHE QD A 4 . HD* 1 1
40 1 1 1 1 4 GLU HA A 3 . HA 1 1
40 1 2 1 1 5 PHE HA A 4 . HA 1 1
41 1 1 1 1 4 GLU H A 3 . H 1 1
41 1 2 1 1 5 PHE QE A 4 . HE* 1 1
42 1 1 1 1 4 GLU H A 3 . H 1 1
42 1 2 1 1 5 PHE QD A 4 . HD* 1 1
43 1 1 1 1 4 GLU H A 3 . H 1 1
43 1 2 1 1 5 PHE H A 4 . H 1 1
44 1 1 1 1 5 PHE HA A 4 . HA 1 1
44 1 2 1 1 6 ARG H A 5 . H 1 1
45 1 1 1 1 5 PHE HA A 4 . HA 1 1
45 1 2 1 1 6 ARG HB2 A 5 . HB2 1 1
46 1 1 1 1 6 ARG HA A 5 . HA 1 1
46 1 2 1 1 7 ARG H A 6 . H 1 1
47 1 1 1 1 7 ARG HA A 6 . HA 1 1
47 1 2 1 1 8 ASP H A 7 . H 1 1
48 1 1 1 1 7 ARG HA A 6 . HA 1 1
48 1 2 1 1 8 ASP HA A 7 . HA 1 1
49 1 1 1 1 8 ASP HA A 7 . HA 1 1
49 1 2 1 1 9 SER H A 8 . H 1 1
50 1 1 1 1 8 ASP QB A 7 . HB* 1 1
50 1 2 1 1 9 SER H A 8 . H 1 1
51 1 1 1 1 9 SER HA A 8 . HA 1 1
51 1 2 1 1 10 GLY H A 9 . H 1 1
52 1 1 1 1 10 GLY QA A 9 . HA* 1 1
52 1 2 1 1 11 TYR H A 10 . H 1 1
53 1 1 1 1 10 GLY H A 9 . H 1 1
53 1 2 1 1 11 TYR H A 10 . H 1 1
54 1 1 1 1 11 TYR HB3 A 10 . HB1 1 1
54 1 2 1 1 12 GLU H A 11 . H 1 1
55 1 1 1 1 11 TYR QD A 10 . HD* 1 1
55 1 2 1 1 12 GLU H A 11 . H 1 1
56 1 1 1 1 11 TYR QE A 10 . HE* 1 1
56 1 2 1 1 12 GLU H A 11 . H 1 1
57 1 1 1 1 11 TYR H A 10 . H 1 1
57 1 2 1 1 12 GLU H A 11 . H 1 1
58 1 1 1 1 11 TYR HA A 10 . HA 1 1
58 1 2 1 1 12 GLU H A 11 . H 1 1
59 1 1 1 1 11 TYR H A 10 . H 1 1
59 1 2 1 1 12 GLU QB A 11 . HB1 1 1
60 1 1 1 1 11 TYR H A 10 . H 1 1
60 1 2 1 1 12 GLU HA A 11 . HA 1 1
61 1 1 1 1 11 TYR QD A 10 . HD* 1 1
61 1 2 1 1 12 GLU QB A 11 . HB2 1 1
62 1 1 1 1 11 TYR QE A 10 . HE* 1 1
62 1 2 1 1 12 GLU QB A 11 . HB1 1 1
63 1 1 1 1 12 GLU HA A 11 . HA 1 1
63 1 2 1 1 13 VAL H A 12 . H 1 1
64 1 1 1 1 13 VAL HA A 12 . HA 1 1
64 1 2 1 1 14 HIS H A 13 . H 1 1
65 1 1 1 1 13 VAL HB A 12 . HB 1 1
65 1 2 1 1 14 HIS H A 13 . H 1 1
66 1 1 1 1 13 VAL MG2 A 12 . HG2* 1 1
66 1 2 1 1 14 HIS HA A 13 . HA 1 1
67 1 1 1 1 13 VAL MG1 A 12 . HG1* 1 1
67 1 2 1 1 14 HIS HA A 13 . HA 1 1
68 1 1 1 1 13 VAL HA A 12 . HA 1 1
68 1 2 1 1 14 HIS HA A 13 . HA 1 1
69 1 1 1 1 15 HIS HA A 14 . HA 1 1
69 1 2 1 1 16 GLN H A 15 . H 1 1
70 1 1 1 1 15 HIS H A 14 . H 1 1
70 1 2 1 1 16 GLN H A 15 . H 1 1
71 1 1 1 1 16 GLN HA A 15 . HA 1 1
71 1 2 1 1 17 LYS H A 16 . H 1 1
72 1 1 1 1 16 GLN QB A 15 . HB1 1 1
72 1 2 1 1 17 LYS H A 16 . H 1 1
73 1 1 1 1 16 GLN QG A 15 . HG* 1 1
73 1 2 1 1 17 LYS HG3 A 16 . HG1 1 1
74 1 1 1 1 6 ARG HA A 5 . HA 1 1
74 1 2 1 1 6 ARG HB2 A 5 . HB2 1 1
75 1 1 1 1 16 GLN HA A 15 . HA 1 1
75 1 2 1 1 16 GLN QB A 15 . HB2 1 1
76 1 1 1 1 2 ASP H A 1 . H 1 1
76 1 2 1 1 2 ASP HB3 A 1 . HB2 1 1
77 1 1 1 1 3 ALA H A 2 . H 1 1
77 1 2 1 1 3 ALA MB A 2 . HB* 1 1
78 1 1 1 1 4 GLU H A 3 . H 1 1
78 1 2 1 1 4 GLU QG A 3 . HG2 1 1
79 1 1 1 1 4 GLU H A 3 . H 1 1
79 1 2 1 1 4 GLU QB A 3 . HB* 1 1
80 1 1 1 1 5 PHE H A 4 . H 1 1
80 1 2 1 1 5 PHE QB A 4 . HB* 1 1
81 1 1 1 1 5 PHE H A 4 . H 1 1
81 1 2 1 1 5 PHE QE A 4 . HE* 1 1
82 1 1 1 1 5 PHE H A 4 . H 1 1
82 1 2 1 1 5 PHE QD A 4 . HD* 1 1
83 1 1 1 1 5 PHE HA A 4 . HA 1 1
83 1 2 1 1 5 PHE QD A 4 . HD* 1 1
84 1 1 1 1 5 PHE QB A 4 . HB* 1 1
84 1 2 1 1 5 PHE QD A 4 . HD* 1 1
85 1 1 1 1 6 ARG H A 5 . H 1 1
85 1 2 1 1 6 ARG HB2 A 5 . HB1 1 1
86 1 1 1 1 6 ARG HA A 5 . HA 1 1
86 1 2 1 1 6 ARG HE A 5 . HE 1 1
87 1 1 1 1 6 ARG HB2 A 5 . HB2 1 1
87 1 2 1 1 6 ARG HE A 5 . HE 1 1
88 1 1 1 1 6 ARG H A 5 . H 1 1
88 1 2 1 1 6 ARG HG2 A 5 . HG1 1 1
89 1 1 1 1 6 ARG HA A 5 . HA 1 1
89 1 2 1 1 6 ARG QD A 5 . HD* 1 1
90 1 1 1 1 7 ARG HA A 6 . HA 1 1
90 1 2 1 1 7 ARG HE A 6 . HE 1 1
91 1 1 1 1 7 ARG HE A 6 . HE 1 1
91 1 2 1 1 7 ARG HG2 A 6 . HG2 1 1
92 1 1 1 1 7 ARG H A 6 . H 1 1
92 1 2 1 1 7 ARG HA A 6 . HA 1 1
93 1 1 1 1 7 ARG QB A 6 . HB2 1 1
93 1 2 1 1 7 ARG QD A 6 . HD* 1 1
94 1 1 1 1 7 ARG H A 6 . H 1 1
94 1 2 1 1 7 ARG HG2 A 6 . HG2 1 1
95 1 1 1 1 7 ARG H A 6 . H 1 1
95 1 2 1 1 7 ARG QB A 6 . HB2 1 1
96 1 1 1 1 7 ARG HA A 6 . HA 1 1
96 1 2 1 1 7 ARG HG2 A 6 . HG2 1 1
97 1 1 1 1 7 ARG QD A 6 . HD* 1 1
97 1 2 1 1 7 ARG HG2 A 6 . HG2 1 1
98 1 1 1 1 7 ARG QB A 6 . HB2 1 1
98 1 2 1 1 7 ARG HE A 6 . HE 1 1
99 1 1 1 1 9 SER H A 8 . H 1 1
99 1 2 1 1 9 SER HB2 A 8 . HB1 1 1
100 1 1 1 1 9 SER H A 8 . H 1 1
100 1 2 1 1 9 SER HA A 8 . HA 1 1
101 1 1 1 1 11 TYR HB3 A 10 . HB1 1 1
101 1 2 1 1 11 TYR QE A 10 . HE* 1 1
102 1 1 1 1 11 TYR H A 10 . H 1 1
102 1 2 1 1 11 TYR HA A 10 . HA 1 1
103 1 1 1 1 11 TYR H A 10 . H 1 1
103 1 2 1 1 11 TYR HB3 A 10 . HB1 1 1
104 1 1 1 1 11 TYR H A 10 . H 1 1
104 1 2 1 1 11 TYR QD A 10 . HD* 1 1
105 1 1 1 1 12 GLU H A 11 . H 1 1
105 1 2 1 1 12 GLU QG A 11 . HG* 1 1
106 1 1 1 1 12 GLU H A 11 . H 1 1
106 1 2 1 1 12 GLU QB A 11 . HB2 1 1
107 1 1 1 1 13 VAL HA A 12 . HA 1 1
107 1 2 1 1 13 VAL MG1 A 12 . HG1* 1 1
108 1 1 1 1 13 VAL HA A 12 . HA 1 1
108 1 2 1 1 13 VAL MG2 A 12 . HG2* 1 1
109 1 1 1 1 13 VAL H A 12 . H 1 1
109 1 2 1 1 13 VAL HA A 12 . HA 1 1
110 1 1 1 1 14 HIS H A 13 . H 1 1
110 1 2 1 1 14 HIS QB A 13 . HB* 1 1
111 1 1 1 1 14 HIS H A 13 . H 1 1
111 1 2 1 1 14 HIS HB2 A 13 . HB2 1 1
112 1 1 1 1 15 HIS HB2 A 14 . HB1 1 1
112 1 2 1 1 15 HIS HD2 A 14 . HD2 1 1
113 1 1 1 1 16 GLN H A 15 . H 1 1
113 1 2 1 1 16 GLN QG A 15 . HG* 1 1
114 1 1 1 1 16 GLN H A 15 . H 1 1
114 1 2 1 1 16 GLN QB A 15 . HB1 1 1
115 1 1 1 1 16 GLN H A 15 . H 1 1
115 1 2 1 1 16 GLN HA A 15 . HA 1 1
116 1 1 2 1 6 ARG QD B 5 . HD* 1 1
116 1 2 2 1 13 VAL HA B 12 . HA 1 1
117 1 1 2 1 5 PHE QD B 4 . HD* 1 1
117 1 2 2 1 13 VAL HA B 12 . HA 1 1
118 1 1 2 1 11 TYR QD B 10 . HD* 1 1
118 1 2 2 1 16 GLN HB3 B 15 . HB1 1 1
119 1 1 2 1 11 TYR QD B 10 . HD* 1 1
119 1 2 2 1 16 GLN QG B 15 . HG* 1 1
120 1 1 2 1 11 TYR HB3 B 10 . HB2 1 1
120 1 2 2 1 13 VAL HA B 12 . HA 1 1
121 1 1 2 1 2 ASP HB3 B 1 . HB1 1 1
121 1 2 2 1 5 PHE H B 4 . H 1 1
122 1 1 2 1 2 ASP HB3 B 1 . HB1 1 1
122 1 2 2 1 5 PHE QD B 4 . HD* 1 1
123 1 1 2 1 3 ALA MB B 2 . HB* 1 1
123 1 2 2 1 5 PHE H B 4 . H 1 1
124 1 1 2 1 3 ALA MB B 2 . HB* 1 1
124 1 2 2 1 7 ARG QD B 6 . HD* 1 1
125 1 1 2 1 4 GLU QG B 3 . HG2 1 1
125 1 2 2 1 7 ARG HE B 6 . HE 1 1
126 1 1 2 1 5 PHE HA B 4 . HA 1 1
126 1 2 2 1 7 ARG HE B 6 . HE 1 1
127 1 1 2 1 5 PHE QD B 4 . HD* 1 1
127 1 2 2 1 7 ARG H B 6 . H 1 1
128 1 1 2 1 5 PHE QD B 4 . HD* 1 1
128 1 2 2 1 7 ARG HG2 B 6 . HG2 1 1
129 1 1 2 1 5 PHE HA B 4 . HA 1 1
129 1 2 2 1 7 ARG HG2 B 6 . HG2 1 1
130 1 1 2 1 5 PHE QD B 4 . HD* 1 1
130 1 2 2 1 7 ARG QB B 6 . HB2 1 1
131 1 1 2 1 7 ARG QB B 6 . HB2 1 1
131 1 2 2 1 11 TYR QE B 10 . HE* 1 1
132 1 1 2 1 7 ARG HG2 B 6 . HG2 1 1
132 1 2 2 1 11 TYR QE B 10 . HE* 1 1
133 1 1 2 1 9 SER HA B 8 . HA 1 1
133 1 2 2 1 11 TYR QD B 10 . HD* 1 1
134 1 1 2 1 12 GLU QG B 11 . HG* 1 1
134 1 2 2 1 14 HIS H B 13 . H 1 1
135 1 1 2 1 12 GLU HA B 11 . HA 1 1
135 1 2 2 1 14 HIS H B 13 . H 1 1
136 1 1 2 1 10 GLY QA B 9 . HA* 1 1
136 1 2 2 1 11 TYR QE B 10 . HE* 1 1
137 1 1 2 1 11 TYR QD B 10 . HD* 1 1
137 1 2 2 1 13 VAL MG1 B 12 . HG1* 1 1
138 1 1 2 1 11 TYR QD B 10 . HD* 1 1
138 1 2 2 1 13 VAL MG2 B 12 . HG2* 1 1
139 1 1 2 1 11 TYR QE B 10 . HE* 1 1
139 1 2 2 1 13 VAL MG1 B 12 . HG1* 1 1
140 1 1 2 1 11 TYR QE B 10 . HE* 1 1
140 1 2 2 1 13 VAL MG2 B 12 . HG2* 1 1
141 1 1 2 1 13 VAL H B 12 . H 1 1
141 1 2 2 1 15 HIS H B 14 . H 1 1
142 1 1 2 1 2 ASP HB3 B 1 . HB2 1 1
142 1 2 2 1 3 ALA H B 2 . H 1 1
143 1 1 2 1 2 ASP HA B 1 . HA 1 1
143 1 2 2 1 3 ALA H B 2 . H 1 1
144 1 1 2 1 2 ASP HA B 1 . HA 1 1
144 1 2 2 1 3 ALA MB B 2 . HB* 1 1
145 1 1 2 1 2 ASP HB3 B 1 . HB1 1 1
145 1 2 2 1 3 ALA MB B 2 . HB* 1 1
146 1 1 2 1 3 ALA MB B 2 . HB* 1 1
146 1 2 2 1 4 GLU QG B 3 . HG1 1 1
147 1 1 2 1 3 ALA HA B 2 . HA 1 1
147 1 2 2 1 4 GLU H B 3 . H 1 1
148 1 1 2 1 3 ALA MB B 2 . HB* 1 1
148 1 2 2 1 4 GLU H B 3 . H 1 1
149 1 1 2 1 4 GLU QG B 3 . HG1 1 1
149 1 2 2 1 5 PHE QD B 4 . HD* 1 1
150 1 1 2 1 4 GLU HA B 3 . HA 1 1
150 1 2 2 1 5 PHE H B 4 . H 1 1
151 1 1 2 1 4 GLU HA B 3 . HA 1 1
151 1 2 2 1 5 PHE QD B 4 . HD* 1 1
152 1 1 2 1 4 GLU QG B 3 . HG2 1 1
152 1 2 2 1 5 PHE H B 4 . H 1 1
153 1 1 2 1 4 GLU QB B 3 . HB* 1 1
153 1 2 2 1 5 PHE H B 4 . H 1 1
154 1 1 2 1 4 GLU QB B 3 . HB* 1 1
154 1 2 2 1 5 PHE QD B 4 . HD* 1 1
155 1 1 2 1 4 GLU HA B 3 . HA 1 1
155 1 2 2 1 5 PHE HA B 4 . HA 1 1
156 1 1 2 1 4 GLU H B 3 . H 1 1
156 1 2 2 1 5 PHE QE B 4 . HE* 1 1
157 1 1 2 1 4 GLU H B 3 . H 1 1
157 1 2 2 1 5 PHE QD B 4 . HD* 1 1
158 1 1 2 1 4 GLU H B 3 . H 1 1
158 1 2 2 1 5 PHE H B 4 . H 1 1
159 1 1 2 1 5 PHE HA B 4 . HA 1 1
159 1 2 2 1 6 ARG H B 5 . H 1 1
160 1 1 2 1 5 PHE HA B 4 . HA 1 1
160 1 2 2 1 6 ARG HB2 B 5 . HB2 1 1
161 1 1 2 1 6 ARG HA B 5 . HA 1 1
161 1 2 2 1 7 ARG H B 6 . H 1 1
162 1 1 2 1 7 ARG HA B 6 . HA 1 1
162 1 2 2 1 8 ASP H B 7 . H 1 1
163 1 1 2 1 7 ARG HA B 6 . HA 1 1
163 1 2 2 1 8 ASP HA B 7 . HA 1 1
164 1 1 2 1 8 ASP HA B 7 . HA 1 1
164 1 2 2 1 9 SER H B 8 . H 1 1
165 1 1 2 1 8 ASP QB B 7 . HB* 1 1
165 1 2 2 1 9 SER H B 8 . H 1 1
166 1 1 2 1 9 SER HA B 8 . HA 1 1
166 1 2 2 1 10 GLY H B 9 . H 1 1
167 1 1 2 1 10 GLY QA B 9 . HA* 1 1
167 1 2 2 1 11 TYR H B 10 . H 1 1
168 1 1 2 1 10 GLY H B 9 . H 1 1
168 1 2 2 1 11 TYR H B 10 . H 1 1
169 1 1 2 1 11 TYR HB3 B 10 . HB1 1 1
169 1 2 2 1 12 GLU H B 11 . H 1 1
170 1 1 2 1 11 TYR QD B 10 . HD* 1 1
170 1 2 2 1 12 GLU H B 11 . H 1 1
171 1 1 2 1 11 TYR QE B 10 . HE* 1 1
171 1 2 2 1 12 GLU H B 11 . H 1 1
172 1 1 2 1 11 TYR H B 10 . H 1 1
172 1 2 2 1 12 GLU H B 11 . H 1 1
173 1 1 2 1 11 TYR HA B 10 . HA 1 1
173 1 2 2 1 12 GLU H B 11 . H 1 1
174 1 1 2 1 11 TYR H B 10 . H 1 1
174 1 2 2 1 12 GLU QB B 11 . HB1 1 1
175 1 1 2 1 11 TYR H B 10 . H 1 1
175 1 2 2 1 12 GLU HA B 11 . HA 1 1
176 1 1 2 1 11 TYR QD B 10 . HD* 1 1
176 1 2 2 1 12 GLU QB B 11 . HB2 1 1
177 1 1 2 1 11 TYR QE B 10 . HE* 1 1
177 1 2 2 1 12 GLU QB B 11 . HB1 1 1
178 1 1 2 1 12 GLU HA B 11 . HA 1 1
178 1 2 2 1 13 VAL H B 12 . H 1 1
179 1 1 2 1 13 VAL HA B 12 . HA 1 1
179 1 2 2 1 14 HIS H B 13 . H 1 1
180 1 1 2 1 13 VAL HB B 12 . HB 1 1
180 1 2 2 1 14 HIS H B 13 . H 1 1
181 1 1 2 1 13 VAL MG2 B 12 . HG2* 1 1
181 1 2 2 1 14 HIS HA B 13 . HA 1 1
182 1 1 2 1 13 VAL MG1 B 12 . HG1* 1 1
182 1 2 2 1 14 HIS HA B 13 . HA 1 1
183 1 1 2 1 13 VAL HA B 12 . HA 1 1
183 1 2 2 1 14 HIS HA B 13 . HA 1 1
184 1 1 2 1 15 HIS HA B 14 . HA 1 1
184 1 2 2 1 16 GLN H B 15 . H 1 1
185 1 1 2 1 15 HIS H B 14 . H 1 1
185 1 2 2 1 16 GLN H B 15 . H 1 1
186 1 1 2 1 16 GLN HA B 15 . HA 1 1
186 1 2 2 1 17 LYS H B 16 . H 1 1
187 1 1 2 1 16 GLN HB3 B 15 . HB1 1 1
187 1 2 2 1 17 LYS H B 16 . H 1 1
188 1 1 2 1 16 GLN QG B 15 . HG* 1 1
188 1 2 2 1 17 LYS HG3 B 16 . HG1 1 1
189 1 1 2 1 6 ARG HA B 5 . HA 1 1
189 1 2 2 1 6 ARG HB2 B 5 . HB2 1 1
190 1 1 2 1 16 GLN HA B 15 . HA 1 1
190 1 2 2 1 16 GLN HB3 B 15 . HB2 1 1
191 1 1 2 1 2 ASP H B 1 . H 1 1
191 1 2 2 1 2 ASP HB3 B 1 . HB2 1 1
192 1 1 2 1 3 ALA H B 2 . H 1 1
192 1 2 2 1 3 ALA MB B 2 . HB* 1 1
193 1 1 2 1 4 GLU H B 3 . H 1 1
193 1 2 2 1 4 GLU QG B 3 . HG2 1 1
194 1 1 2 1 4 GLU H B 3 . H 1 1
194 1 2 2 1 4 GLU QB B 3 . HB* 1 1
195 1 1 2 1 5 PHE H B 4 . H 1 1
195 1 2 2 1 5 PHE QB B 4 . HB* 1 1
196 1 1 2 1 5 PHE H B 4 . H 1 1
196 1 2 2 1 5 PHE QE B 4 . HE* 1 1
197 1 1 2 1 5 PHE H B 4 . H 1 1
197 1 2 2 1 5 PHE QD B 4 . HD* 1 1
198 1 1 2 1 5 PHE HA B 4 . HA 1 1
198 1 2 2 1 5 PHE QD B 4 . HD* 1 1
199 1 1 2 1 5 PHE QB B 4 . HB* 1 1
199 1 2 2 1 5 PHE QD B 4 . HD* 1 1
200 1 1 2 1 6 ARG H B 5 . H 1 1
200 1 2 2 1 6 ARG HB2 B 5 . HB1 1 1
201 1 1 2 1 6 ARG HA B 5 . HA 1 1
201 1 2 2 1 6 ARG HE B 5 . HE 1 1
202 1 1 2 1 6 ARG HB2 B 5 . HB2 1 1
202 1 2 2 1 6 ARG HE B 5 . HE 1 1
203 1 1 2 1 6 ARG H B 5 . H 1 1
203 1 2 2 1 6 ARG HG2 B 5 . HG1 1 1
204 1 1 2 1 6 ARG HA B 5 . HA 1 1
204 1 2 2 1 6 ARG QD B 5 . HD* 1 1
205 1 1 2 1 7 ARG HA B 6 . HA 1 1
205 1 2 2 1 7 ARG HE B 6 . HE 1 1
206 1 1 2 1 7 ARG HE B 6 . HE 1 1
206 1 2 2 1 7 ARG HG2 B 6 . HG2 1 1
207 1 1 2 1 7 ARG H B 6 . H 1 1
207 1 2 2 1 7 ARG HA B 6 . HA 1 1
208 1 1 2 1 7 ARG QB B 6 . HB2 1 1
208 1 2 2 1 7 ARG QD B 6 . HD* 1 1
209 1 1 2 1 7 ARG H B 6 . H 1 1
209 1 2 2 1 7 ARG HG2 B 6 . HG2 1 1
210 1 1 2 1 7 ARG H B 6 . H 1 1
210 1 2 2 1 7 ARG QB B 6 . HB2 1 1
211 1 1 2 1 7 ARG HA B 6 . HA 1 1
211 1 2 2 1 7 ARG HG2 B 6 . HG2 1 1
212 1 1 2 1 7 ARG QD B 6 . HD* 1 1
212 1 2 2 1 7 ARG HG2 B 6 . HG2 1 1
213 1 1 2 1 7 ARG QB B 6 . HB2 1 1
213 1 2 2 1 7 ARG HE B 6 . HE 1 1
214 1 1 2 1 9 SER H B 8 . H 1 1
214 1 2 2 1 9 SER HB2 B 8 . HB1 1 1
215 1 1 2 1 9 SER H B 8 . H 1 1
215 1 2 2 1 9 SER HA B 8 . HA 1 1
216 1 1 2 1 11 TYR HB3 B 10 . HB1 1 1
216 1 2 2 1 11 TYR QE B 10 . HE* 1 1
217 1 1 2 1 11 TYR H B 10 . H 1 1
217 1 2 2 1 11 TYR HA B 10 . HA 1 1
218 1 1 2 1 11 TYR H B 10 . H 1 1
218 1 2 2 1 11 TYR HB3 B 10 . HB1 1 1
219 1 1 2 1 11 TYR H B 10 . H 1 1
219 1 2 2 1 11 TYR QD B 10 . HD* 1 1
220 1 1 2 1 12 GLU H B 11 . H 1 1
220 1 2 2 1 12 GLU QG B 11 . HG* 1 1
221 1 1 2 1 12 GLU H B 11 . H 1 1
221 1 2 2 1 12 GLU QB B 11 . HB2 1 1
222 1 1 2 1 13 VAL HA B 12 . HA 1 1
222 1 2 2 1 13 VAL MG1 B 12 . HG1* 1 1
223 1 1 2 1 13 VAL HA B 12 . HA 1 1
223 1 2 2 1 13 VAL MG2 B 12 . HG2* 1 1
224 1 1 2 1 13 VAL H B 12 . H 1 1
224 1 2 2 1 13 VAL HA B 12 . HA 1 1
225 1 1 2 1 14 HIS H B 13 . H 1 1
225 1 2 2 1 14 HIS QB B 13 . HB* 1 1
226 1 1 2 1 14 HIS H B 13 . H 1 1
226 1 2 2 1 14 HIS HB2 B 13 . HB2 1 1
227 1 1 2 1 15 HIS HB2 B 14 . HB1 1 1
227 1 2 2 1 15 HIS HD2 B 14 . HD2 1 1
228 1 1 2 1 16 GLN H B 15 . H 1 1
228 1 2 2 1 16 GLN QG B 15 . HG* 1 1
229 1 1 2 1 16 GLN H B 15 . H 1 1
229 1 2 2 1 16 GLN HB3 B 15 . HB1 1 1
230 1 1 2 1 16 GLN H B 15 . H 1 1
230 1 2 2 1 16 GLN HA B 15 . HA 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 . . . . . 5.0 0.0 5.0 1 1
2 1 . . . . . 5.5 0.0 5.5 1 1
3 1 . . . . . 5.5 0.0 5.5 1 1
4 1 . . . . . 5.5 0.0 5.5 1 1
5 1 . . . . . . 0.0 4.5 1 1
6 1 . . . . . 4.5 0.0 4.5 1 1
7 1 . . . . . 4.5 0.0 4.5 1 1
8 1 . . . . . 4.5 0.0 4.5 1 1
9 1 . . . . . 5.5 0.0 5.5 1 1
10 1 . . . . . 5.5 0.0 5.5 1 1
11 1 . . . . . 4.5 0.0 4.5 1 1
12 1 . . . . . 5.0 0.0 5.0 1 1
13 1 . . . . . 5.0 0.0 5.0 1 1
14 1 . . . . . 5.5 0.0 5.5 1 1
15 1 . . . . . 6.0 0.0 6.0 1 1
16 1 . . . . . 4.5 0.0 4.5 1 1
17 1 . . . . . 4.5 0.0 4.5 1 1
18 1 . . . . . 6.0 0.0 6.0 1 1
19 1 . . . . . 5.0 0.0 5.0 1 1
20 1 . . . . . 4.0 0.0 4.0 1 1
21 1 . . . . . 3.5 0.0 3.5 1 1
22 1 . . . . . 4.5 0.0 4.5 1 1
23 1 . . . . . 5.5 0.0 5.5 1 1
24 1 . . . . . 4.5 0.0 4.5 1 1
25 1 . . . . . 4.5 0.0 4.5 1 1
26 1 . . . . . 4.5 0.0 4.5 1 1
27 1 . . . . . . 0.0 3.5 1 1
28 1 . . . . . 3.5 0.0 3.5 1 1
29 1 . . . . . 5.5 0.0 5.5 1 1
30 1 . . . . . 5.5 0.0 5.5 1 1
31 1 . . . . . . 0.0 4.0 1 1
32 1 . . . . . 3.5 0.0 3.5 1 1
33 1 . . . . . 3.5 0.0 3.5 1 1
34 1 . . . . . 4.5 0.0 4.5 1 1
35 1 . . . . . 3.5 0.0 3.5 1 1
36 1 . . . . . 5.0 0.0 5.0 1 1
37 1 . . . . . . 0.0 3.5 1 1
38 1 . . . . . 3.5 0.0 3.5 1 1
39 1 . . . . . 4.5 0.0 4.5 1 1
40 1 . . . . . 5.5 0.0 5.5 1 1
41 1 . . . . . 5.5 0.0 5.5 1 1
42 1 . . . . . 5.5 0.0 5.5 1 1
43 1 . . . . . 3.5 0.0 3.5 1 1
44 1 . . . . . 3.5 0.0 3.5 1 1
45 1 . . . . . 5.5 0.0 5.5 1 1
46 1 . . . . . 3.5 0.0 3.5 1 1
47 1 . . . . . 3.5 0.0 3.5 1 1
48 1 . . . . . 5.5 0.0 5.5 1 1
49 1 . . . . . 3.5 0.0 3.5 1 1
50 1 . . . . . 3.5 0.0 3.5 1 1
51 1 . . . . . 4.5 0.0 4.5 1 1
52 1 . . . . . 3.5 0.0 3.5 1 1
53 1 . . . . . 4.0 0.0 4.0 1 1
54 1 . . . . . 3.5 0.0 3.5 1 1
55 1 . . . . . 4.5 0.0 4.5 1 1
56 1 . . . . . 4.0 0.0 4.0 1 1
57 1 . . . . . 4.5 0.0 4.5 1 1
58 1 . . . . . 2.5 0.0 2.5 1 1
59 1 . . . . . . 0.0 5.5 1 1
60 1 . . . . . 4.5 0.0 4.5 1 1
61 1 . . . . . . 0.0 4.5 1 1
62 1 . . . . . 6.0 0.0 6.0 1 1
63 1 . . . . . 3.5 0.0 3.5 1 1
64 1 . . . . . 3.5 0.0 3.5 1 1
65 1 . . . . . 3.5 0.0 3.5 1 1
66 1 . . . . . 5.5 0.0 5.5 1 1
67 1 . . . . . 5.0 0.0 5.0 1 1
68 1 . . . . . 4.5 0.0 4.5 1 1
69 1 . . . . . 3.5 0.0 3.5 1 1
70 1 . . . . . 3.5 0.0 3.5 1 1
71 1 . . . . . 4.5 0.0 4.5 1 1
72 1 . . . . . 3.5 0.0 3.5 1 1
73 1 . . . . . 6.0 0.0 6.0 1 1
74 1 . . . . . 3.0 0.0 3.0 1 1
75 1 . . . . . . 0.0 2.5 1 1
76 1 . . . . . 3.5 0.0 3.5 1 1
77 1 . . . . . 3.5 0.0 3.5 1 1
78 1 . . . . . 4.5 0.0 4.5 1 1
79 1 . . . . . 3.5 0.0 3.5 1 1
80 1 . . . . . 2.5 0.0 2.5 1 1
81 1 . . . . . 4.5 0.0 4.5 1 1
82 1 . . . . . 3.5 0.0 3.5 1 1
83 1 . . . . . 3.5 0.0 3.5 1 1
84 1 . . . . . 2.5 0.0 2.5 1 1
85 1 . . . . . 3.5 0.0 3.5 1 1
86 1 . . . . . 2.5 0.0 2.5 1 1
87 1 . . . . . 5.5 0.0 5.5 1 1
88 1 . . . . . 4.0 0.0 4.0 1 1
89 1 . . . . . 3.5 0.0 3.5 1 1
90 1 . . . . . 3.5 0.0 3.5 1 1
91 1 . . . . . 3.5 0.0 3.5 1 1
92 1 . . . . . 3.0 0.0 3.0 1 1
93 1 . . . . . . 0.0 2.5 1 1
94 1 . . . . . 2.5 0.0 2.5 1 1
95 1 . . . . . 3.5 0.0 3.5 1 1
96 1 . . . . . 3.0 0.0 3.0 1 1
97 1 . . . . . 2.5 0.0 2.5 1 1
98 1 . . . . . 4.5 0.0 4.5 1 1
99 1 . . . . . . 0.0 2.5 1 1
100 1 . . . . . 3.0 0.0 3.0 1 1
101 1 . . . . . 4.5 0.0 4.5 1 1
102 1 . . . . . 3.0 0.0 3.0 1 1
103 1 . . . . . . 0.0 3.0 1 1
104 1 . . . . . 4.5 0.0 4.5 1 1
105 1 . . . . . 4.0 0.0 4.0 1 1
106 1 . . . . . 3.0 0.0 3.0 1 1
107 1 . . . . . 2.5 0.0 2.5 1 1
108 1 . . . . . 3.5 0.0 3.5 1 1
109 1 . . . . . 2.5 0.0 2.5 1 1
110 1 . . . . . 3.5 0.0 3.5 1 1
111 1 . . . . . 3.5 0.0 3.5 1 1
112 1 . . . . . 3.5 0.0 3.5 1 1
113 1 . . . . . 3.5 0.0 3.5 1 1
114 1 . . . . . 3.5 0.0 3.5 1 1
115 1 . . . . . 3.0 0.0 3.0 1 1
116 1 . . . . . 5.0 0.0 5.0 1 1
117 1 . . . . . 5.5 0.0 5.5 1 1
118 1 . . . . . 5.5 0.0 5.5 1 1
119 1 . . . . . 5.5 0.0 5.5 1 1
120 1 . . . . . . 0.0 4.5 1 1
121 1 . . . . . 4.5 0.0 4.5 1 1
122 1 . . . . . 4.5 0.0 4.5 1 1
123 1 . . . . . 4.5 0.0 4.5 1 1
124 1 . . . . . 5.5 0.0 5.5 1 1
125 1 . . . . . 5.5 0.0 5.5 1 1
126 1 . . . . . 4.5 0.0 4.5 1 1
127 1 . . . . . 5.0 0.0 5.0 1 1
128 1 . . . . . 5.0 0.0 5.0 1 1
129 1 . . . . . 5.5 0.0 5.5 1 1
130 1 . . . . . 6.0 0.0 6.0 1 1
131 1 . . . . . 4.5 0.0 4.5 1 1
132 1 . . . . . 4.5 0.0 4.5 1 1
133 1 . . . . . 6.0 0.0 6.0 1 1
134 1 . . . . . 5.0 0.0 5.0 1 1
135 1 . . . . . 4.0 0.0 4.0 1 1
136 1 . . . . . 3.5 0.0 3.5 1 1
137 1 . . . . . 4.5 0.0 4.5 1 1
138 1 . . . . . 5.5 0.0 5.5 1 1
139 1 . . . . . 4.5 0.0 4.5 1 1
140 1 . . . . . 4.5 0.0 4.5 1 1
141 1 . . . . . 4.5 0.0 4.5 1 1
142 1 . . . . . . 0.0 3.5 1 1
143 1 . . . . . 3.5 0.0 3.5 1 1
144 1 . . . . . 5.5 0.0 5.5 1 1
145 1 . . . . . 5.5 0.0 5.5 1 1
146 1 . . . . . . 0.0 4.0 1 1
147 1 . . . . . 3.5 0.0 3.5 1 1
148 1 . . . . . 3.5 0.0 3.5 1 1
149 1 . . . . . 4.5 0.0 4.5 1 1
150 1 . . . . . 3.5 0.0 3.5 1 1
151 1 . . . . . 5.0 0.0 5.0 1 1
152 1 . . . . . . 0.0 3.5 1 1
153 1 . . . . . 3.5 0.0 3.5 1 1
154 1 . . . . . 4.5 0.0 4.5 1 1
155 1 . . . . . 5.5 0.0 5.5 1 1
156 1 . . . . . 5.5 0.0 5.5 1 1
157 1 . . . . . 5.5 0.0 5.5 1 1
158 1 . . . . . 3.5 0.0 3.5 1 1
159 1 . . . . . 3.5 0.0 3.5 1 1
160 1 . . . . . 5.5 0.0 5.5 1 1
161 1 . . . . . 3.5 0.0 3.5 1 1
162 1 . . . . . 3.5 0.0 3.5 1 1
163 1 . . . . . 5.5 0.0 5.5 1 1
164 1 . . . . . 3.5 0.0 3.5 1 1
165 1 . . . . . 3.5 0.0 3.5 1 1
166 1 . . . . . 4.5 0.0 4.5 1 1
167 1 . . . . . 3.5 0.0 3.5 1 1
168 1 . . . . . 4.0 0.0 4.0 1 1
169 1 . . . . . 3.5 0.0 3.5 1 1
170 1 . . . . . 4.5 0.0 4.5 1 1
171 1 . . . . . 4.0 0.0 4.0 1 1
172 1 . . . . . 4.5 0.0 4.5 1 1
173 1 . . . . . 2.5 0.0 2.5 1 1
174 1 . . . . . . 0.0 5.5 1 1
175 1 . . . . . 4.5 0.0 4.5 1 1
176 1 . . . . . . 0.0 4.5 1 1
177 1 . . . . . 6.0 0.0 6.0 1 1
178 1 . . . . . 3.5 0.0 3.5 1 1
179 1 . . . . . 3.5 0.0 3.5 1 1
180 1 . . . . . 3.5 0.0 3.5 1 1
181 1 . . . . . 5.5 0.0 5.5 1 1
182 1 . . . . . 5.0 0.0 5.0 1 1
183 1 . . . . . 4.5 0.0 4.5 1 1
184 1 . . . . . 3.5 0.0 3.5 1 1
185 1 . . . . . 3.5 0.0 3.5 1 1
186 1 . . . . . 4.5 0.0 4.5 1 1
187 1 . . . . . 3.5 0.0 3.5 1 1
188 1 . . . . . 6.0 0.0 6.0 1 1
189 1 . . . . . 3.0 0.0 3.0 1 1
190 1 . . . . . . 0.0 2.5 1 1
191 1 . . . . . 3.5 0.0 3.5 1 1
192 1 . . . . . 3.5 0.0 3.5 1 1
193 1 . . . . . 4.5 0.0 4.5 1 1
194 1 . . . . . 3.5 0.0 3.5 1 1
195 1 . . . . . 2.5 0.0 2.5 1 1
196 1 . . . . . 4.5 0.0 4.5 1 1
197 1 . . . . . 3.5 0.0 3.5 1 1
198 1 . . . . . 3.5 0.0 3.5 1 1
199 1 . . . . . 2.5 0.0 2.5 1 1
200 1 . . . . . 3.5 0.0 3.5 1 1
201 1 . . . . . 2.5 0.0 2.5 1 1
202 1 . . . . . 5.5 0.0 5.5 1 1
203 1 . . . . . 4.0 0.0 4.0 1 1
204 1 . . . . . 3.5 0.0 3.5 1 1
205 1 . . . . . 3.5 0.0 3.5 1 1
206 1 . . . . . 3.5 0.0 3.5 1 1
207 1 . . . . . 3.0 0.0 3.0 1 1
208 1 . . . . . . 0.0 2.5 1 1
209 1 . . . . . 2.5 0.0 2.5 1 1
210 1 . . . . . 3.5 0.0 3.5 1 1
211 1 . . . . . 3.0 0.0 3.0 1 1
212 1 . . . . . 2.5 0.0 2.5 1 1
213 1 . . . . . 4.5 0.0 4.5 1 1
214 1 . . . . . . 0.0 2.5 1 1
215 1 . . . . . 3.0 0.0 3.0 1 1
216 1 . . . . . 4.5 0.0 4.5 1 1
217 1 . . . . . 3.0 0.0 3.0 1 1
218 1 . . . . . . 0.0 3.0 1 1
219 1 . . . . . 4.5 0.0 4.5 1 1
220 1 . . . . . 4.0 0.0 4.0 1 1
221 1 . . . . . 3.0 0.0 3.0 1 1
222 1 . . . . . 2.5 0.0 2.5 1 1
223 1 . . . . . 3.5 0.0 3.5 1 1
224 1 . . . . . 2.5 0.0 2.5 1 1
225 1 . . . . . 3.5 0.0 3.5 1 1
226 1 . . . . . 3.5 0.0 3.5 1 1
227 1 . . . . . 3.5 0.0 3.5 1 1
228 1 . . . . . 3.5 0.0 3.5 1 1
229 1 . . . . . 3.5 0.0 3.5 1 1
230 1 . . . . . 3.0 0.0 3.0 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 "general distance"
_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
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 12 GLU OE1 A 11 . OE1 1 2
1 1 2 3 2 1 ZN ZN . 17 . ZN 1 2
2 1 1 1 1 12 GLU OE2 A 11 . OE2 1 2
2 1 2 3 2 1 ZN ZN . 17 . ZN 1 2
3 1 1 1 1 15 HIS NE2 A 14 . NE2 1 2
3 1 2 3 2 1 ZN ZN . 17 . ZN 1 2
4 1 1 2 1 12 GLU OE1 B 11 . OE1 1 2
4 1 2 3 2 1 ZN ZN . 17 . ZN 1 2
5 1 1 2 1 12 GLU OE2 B 11 . OE2 1 2
5 1 2 3 2 1 ZN ZN . 17 . ZN 1 2
6 1 1 2 1 15 HIS NE2 B 14 . NE2 1 2
6 1 2 3 2 1 ZN ZN . 17 . ZN 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.1 1.6 2.6 1 2
2 1 . . . . . 2.1 1.6 2.6 1 2
3 1 . . . . . 2.1 1.6 2.6 1 2
4 1 . . . . . 2.1 1.6 2.6 1 2
5 1 . . . . . 2.1 1.6 2.6 1 2
6 1 . . . . . 2.1 1.6 2.6 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 12 GLU CD 2 1 15 HIS NE2 3 2 1 ZN ZN 2 1 12 GLU CD 115.00001 125.0 A 11 . CD B 14 . NE2 . 17 . ZN B 11 . CD 1 1
2 . 1 1 12 GLU CD 2 1 15 HIS NE2 3 2 1 ZN ZN 2 1 12 GLU CD 115.00001 125.0 A 11 . CD B 14 . NE2 . 17 . ZN B 11 . CD 1 1
3 . 1 1 12 GLU CD 2 1 15 HIS NE2 3 2 1 ZN ZN 2 1 12 GLU CD 115.00001 125.0 A 11 . CD B 14 . NE2 . 17 . ZN B 11 . CD 1 1
4 . 2 1 12 GLU CD 2 1 15 HIS NE2 3 2 1 ZN ZN 1 1 15 HIS NE2 115.00001 125.0 B 11 . CD B 14 . NE2 . 17 . ZN A 14 . NE2 1 1
5 . 2 1 12 GLU CD 2 1 15 HIS NE2 3 2 1 ZN ZN 1 1 15 HIS NE2 115.00001 125.0 B 11 . CD B 14 . NE2 . 17 . ZN A 14 . NE2 1 1
6 . 1 1 15 HIS NE2 2 1 15 HIS NE2 3 2 1 ZN ZN 1 1 12 GLU CD 115.00001 125.0 A 14 . NE2 B 14 . NE2 . 17 . ZN A 11 . CD 1 1
7 . 1 1 15 HIS NE2 2 1 15 HIS NE2 3 2 1 ZN ZN 1 1 12 GLU CD 115.00001 125.0 A 14 . NE2 B 14 . NE2 . 17 . ZN A 11 . CD 1 1
8 . 1 1 15 HIS NE2 2 1 15 HIS NE2 3 2 1 ZN ZN 1 1 12 GLU CD 115.00001 125.0 A 14 . NE2 B 14 . NE2 . 17 . ZN A 11 . CD 1 1
9 . 2 1 12 GLU CD 1 1 15 HIS NE2 3 2 1 ZN ZN 1 1 12 GLU CD 115.00001 125.0 B 11 . CD A 14 . NE2 . 17 . ZN A 11 . CD 1 1
10 . 2 1 12 GLU CD 1 1 15 HIS NE2 3 2 1 ZN ZN 1 1 12 GLU CD 115.00001 125.0 B 11 . CD A 14 . NE2 . 17 . ZN A 11 . CD 1 1
11 . 2 1 12 GLU CD 1 1 15 HIS NE2 3 2 1 ZN ZN 1 1 12 GLU CD 115.00001 125.0 B 11 . CD A 14 . NE2 . 17 . ZN A 11 . CD 1 1
12 . 3 2 1 ZN ZN 1 1 12 GLU OE2 1 1 12 GLU CD 1 1 12 GLU CG 174.99998 185.0 . 17 . ZN A 11 . OE2 A 11 . CD A 11 . CG 1 1
13 . 3 2 1 ZN ZN 1 1 12 GLU OE1 1 1 12 GLU CD 1 1 12 GLU CG -185.0 -174.99998 . 17 . ZN A 11 . OE1 A 11 . CD A 11 . CG 1 1
14 . 3 2 1 ZN ZN 1 1 15 HIS NE2 1 1 15 HIS CE1 1 1 15 HIS ND1 174.99998 185.0 . 17 . ZN A 14 . NE2 A 14 . CE1 A 14 . ND1 1 1
15 . 3 2 1 ZN ZN 1 1 15 HIS NE2 1 1 15 HIS CD2 1 1 15 HIS CG -185.0 -174.99998 . 17 . ZN A 14 . NE2 A 14 . CD2 A 14 . CG 1 1
16 . 3 2 1 ZN ZN 2 1 12 GLU OE2 2 1 12 GLU CD 2 1 12 GLU CG 174.99998 185.0 . 17 . ZN B 11 . OE2 B 11 . CD B 11 . CG 1 1
17 . 3 2 1 ZN ZN 2 1 12 GLU OE1 2 1 12 GLU CD 2 1 12 GLU CG -185.0 -174.99998 . 17 . ZN B 11 . OE1 B 11 . CD B 11 . CG 1 1
18 . 3 2 1 ZN ZN 2 1 15 HIS NE2 2 1 15 HIS CE1 2 1 15 HIS ND1 174.99998 185.0 . 17 . ZN B 14 . NE2 B 14 . CE1 B 14 . ND1 1 1
19 . 3 2 1 ZN ZN 2 1 15 HIS NE2 2 1 15 HIS CD2 2 1 15 HIS CG -185.0 -174.99998 . 17 . ZN B 14 . NE2 B 14 . CD2 B 14 . CG 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 ACE C C -14.283 -4.680 -2.977 1.00 . A A . 0 ACE C 1 1
1 2 1 1 1 ACE CH3 C -12.762 -4.746 -2.925 1.00 . A A . 0 ACE CH3 1 1
1 3 1 1 1 ACE H1 H -12.392 -4.498 -1.936 1.00 . A A . 0 ACE H1 1 1
1 4 1 1 1 ACE H2 H -12.455 -5.757 -3.177 1.00 . A A . 0 ACE H2 1 1
1 5 1 1 1 ACE H3 H -12.325 -4.030 -3.616 1.00 . A A . 0 ACE H3 1 1
1 6 1 1 1 ACE O O -14.874 -4.994 -4.008 1.00 . A A . 0 ACE O 1 1
1 7 1 1 2 ASP C C -16.719 -2.918 -0.991 1.00 . A A . 1 ASP C 1 1
1 8 1 1 2 ASP CA C -16.351 -4.208 -1.716 1.00 . A A . 1 ASP CA 1 1
1 9 1 1 2 ASP CB C -16.873 -5.445 -0.976 1.00 . A A . 1 ASP CB 1 1
1 10 1 1 2 ASP CG C -18.305 -5.759 -1.387 1.00 . A A . 1 ASP CG 1 1
1 11 1 1 2 ASP H H -14.358 -4.052 -1.048 1.00 . A A . 1 ASP H 1 1
1 12 1 1 2 ASP HA H -16.805 -4.181 -2.708 1.00 . A A . 1 ASP HA 1 1
1 13 1 1 2 ASP HB2 H -16.250 -6.307 -1.219 1.00 . A A . 1 ASP HB2 1 1
1 14 1 1 2 ASP HB3 H -16.835 -5.279 0.100 1.00 . A A . 1 ASP HB3 1 1
1 15 1 1 2 ASP N N -14.906 -4.285 -1.864 1.00 . A A . 1 ASP N 1 1
1 16 1 1 2 ASP O O -15.943 -2.392 -0.193 1.00 . A A . 1 ASP O 1 1
1 17 1 1 2 ASP OD1 O -19.217 -5.170 -0.773 1.00 . A A . 1 ASP OD1 1 1
1 18 1 1 2 ASP OD2 O -18.455 -6.569 -2.327 1.00 . A A . 1 ASP OD2 1 1
1 19 1 1 3 ALA C C -18.118 -0.452 0.234 1.00 . A A . 2 ALA C 1 1
1 20 1 1 3 ALA CA C -18.246 -0.997 -1.186 1.00 . A A . 2 ALA CA 1 1
1 21 1 1 3 ALA CB C -19.660 -0.832 -1.710 1.00 . A A . 2 ALA CB 1 1
1 22 1 1 3 ALA H H -18.520 -2.955 -1.899 1.00 . A A . 2 ALA H 1 1
1 23 1 1 3 ALA HA H -17.592 -0.418 -1.830 1.00 . A A . 2 ALA HA 1 1
1 24 1 1 3 ALA HB1 H -19.878 0.229 -1.777 1.00 . A A . 2 ALA HB1 1 1
1 25 1 1 3 ALA HB2 H -19.729 -1.271 -2.703 1.00 . A A . 2 ALA HB2 1 1
1 26 1 1 3 ALA HB3 H -20.359 -1.329 -1.036 1.00 . A A . 2 ALA HB3 1 1
1 27 1 1 3 ALA N N -17.903 -2.400 -1.323 1.00 . A A . 2 ALA N 1 1
1 28 1 1 3 ALA O O -17.630 0.659 0.403 1.00 . A A . 2 ALA O 1 1
1 29 1 1 4 GLU C C -17.178 -0.464 3.240 1.00 . A A . 3 GLU C 1 1
1 30 1 1 4 GLU CA C -18.531 -0.859 2.648 1.00 . A A . 3 GLU CA 1 1
1 31 1 1 4 GLU CB C -19.158 -1.997 3.454 1.00 . A A . 3 GLU CB 1 1
1 32 1 1 4 GLU CD C -19.102 -4.441 4.010 1.00 . A A . 3 GLU CD 1 1
1 33 1 1 4 GLU CG C -18.354 -3.295 3.344 1.00 . A A . 3 GLU CG 1 1
1 34 1 1 4 GLU H H -18.856 -2.160 1.007 1.00 . A A . 3 GLU H 1 1
1 35 1 1 4 GLU HA H -19.166 0.011 2.739 1.00 . A A . 3 GLU HA 1 1
1 36 1 1 4 GLU HB2 H -19.228 -1.705 4.502 1.00 . A A . 3 GLU HB2 1 1
1 37 1 1 4 GLU HB3 H -20.161 -2.173 3.069 1.00 . A A . 3 GLU HB3 1 1
1 38 1 1 4 GLU HG2 H -18.186 -3.518 2.286 1.00 . A A . 3 GLU HG2 1 1
1 39 1 1 4 GLU HG3 H -17.392 -3.168 3.843 1.00 . A A . 3 GLU HG3 1 1
1 40 1 1 4 GLU N N -18.505 -1.241 1.239 1.00 . A A . 3 GLU N 1 1
1 41 1 1 4 GLU O O -17.154 0.327 4.179 1.00 . A A . 3 GLU O 1 1
1 42 1 1 4 GLU OE1 O -20.056 -4.941 3.376 1.00 . A A . 3 GLU OE1 1 1
1 43 1 1 4 GLU OE2 O -18.729 -4.784 5.147 1.00 . A A . 3 GLU OE2 1 1
1 44 1 1 5 PHE C C -13.907 0.017 1.975 1.00 . A A . 4 PHE C 1 1
1 45 1 1 5 PHE CA C -14.717 -0.642 3.087 1.00 . A A . 4 PHE CA 1 1
1 46 1 1 5 PHE CB C -14.030 -1.896 3.581 1.00 . A A . 4 PHE CB 1 1
1 47 1 1 5 PHE CD1 C -12.573 -2.743 1.738 1.00 . A A . 4 PHE CD1 1 1
1 48 1 1 5 PHE CD2 C -14.615 -3.952 2.291 1.00 . A A . 4 PHE CD2 1 1
1 49 1 1 5 PHE CE1 C -12.280 -3.689 0.748 1.00 . A A . 4 PHE CE1 1 1
1 50 1 1 5 PHE CE2 C -14.289 -4.932 1.346 1.00 . A A . 4 PHE CE2 1 1
1 51 1 1 5 PHE CG C -13.727 -2.896 2.513 1.00 . A A . 4 PHE CG 1 1
1 52 1 1 5 PHE CZ C -13.108 -4.816 0.595 1.00 . A A . 4 PHE CZ 1 1
1 53 1 1 5 PHE H H -16.179 -1.707 1.995 1.00 . A A . 4 PHE H 1 1
1 54 1 1 5 PHE HA H -14.746 0.063 3.906 1.00 . A A . 4 PHE HA 1 1
1 55 1 1 5 PHE HB2 H -13.092 -1.592 4.032 1.00 . A A . 4 PHE HB2 1 1
1 56 1 1 5 PHE HB3 H -14.662 -2.379 4.325 1.00 . A A . 4 PHE HB3 1 1
1 57 1 1 5 PHE HD1 H -11.948 -1.876 1.899 1.00 . A A . 4 PHE HD1 1 1
1 58 1 1 5 PHE HD2 H -15.537 -3.990 2.849 1.00 . A A . 4 PHE HD2 1 1
1 59 1 1 5 PHE HE1 H -11.417 -3.556 0.116 1.00 . A A . 4 PHE HE1 1 1
1 60 1 1 5 PHE HE2 H -14.952 -5.764 1.191 1.00 . A A . 4 PHE HE2 1 1
1 61 1 1 5 PHE HZ H -12.856 -5.584 -0.119 1.00 . A A . 4 PHE HZ 1 1
1 62 1 1 5 PHE N N -16.075 -0.987 2.694 1.00 . A A . 4 PHE N 1 1
1 63 1 1 5 PHE O O -12.852 0.586 2.257 1.00 . A A . 4 PHE O 1 1
1 64 1 1 6 ARG C C -14.638 2.245 -0.066 1.00 . A A . 5 ARG C 1 1
1 65 1 1 6 ARG CA C -14.031 0.874 -0.335 1.00 . A A . 5 ARG CA 1 1
1 66 1 1 6 ARG CB C -14.471 0.286 -1.674 1.00 . A A . 5 ARG CB 1 1
1 67 1 1 6 ARG CD C -12.136 -0.590 -2.209 1.00 . A A . 5 ARG CD 1 1
1 68 1 1 6 ARG CG C -13.621 -0.917 -2.106 1.00 . A A . 5 ARG CG 1 1
1 69 1 1 6 ARG CZ C -11.396 0.632 -4.266 1.00 . A A . 5 ARG CZ 1 1
1 70 1 1 6 ARG H H -15.234 -0.593 0.573 1.00 . A A . 5 ARG H 1 1
1 71 1 1 6 ARG HA H -12.950 0.998 -0.324 1.00 . A A . 5 ARG HA 1 1
1 72 1 1 6 ARG HB2 H -15.510 -0.018 -1.593 1.00 . A A . 5 ARG HB2 1 1
1 73 1 1 6 ARG HB3 H -14.405 1.060 -2.435 1.00 . A A . 5 ARG HB3 1 1
1 74 1 1 6 ARG HD2 H -11.747 -0.426 -1.210 1.00 . A A . 5 ARG HD2 1 1
1 75 1 1 6 ARG HD3 H -11.638 -1.461 -2.625 1.00 . A A . 5 ARG HD3 1 1
1 76 1 1 6 ARG HE H -12.097 1.502 -2.587 1.00 . A A . 5 ARG HE 1 1
1 77 1 1 6 ARG HG2 H -13.738 -1.727 -1.388 1.00 . A A . 5 ARG HG2 1 1
1 78 1 1 6 ARG HG3 H -13.959 -1.271 -3.077 1.00 . A A . 5 ARG HG3 1 1
1 79 1 1 6 ARG HH11 H -11.263 -1.392 -4.444 1.00 . A A . 5 ARG HH11 1 1
1 80 1 1 6 ARG HH12 H -10.729 -0.481 -5.834 1.00 . A A . 5 ARG HH12 1 1
1 81 1 1 6 ARG HH21 H -11.392 2.668 -4.426 1.00 . A A . 5 ARG HH21 1 1
1 82 1 1 6 ARG HH22 H -10.792 1.800 -5.821 1.00 . A A . 5 ARG HH22 1 1
1 83 1 1 6 ARG N N -14.418 -0.021 0.739 1.00 . A A . 5 ARG N 1 1
1 84 1 1 6 ARG NE N -11.873 0.616 -3.015 1.00 . A A . 5 ARG NE 1 1
1 85 1 1 6 ARG NH1 N -11.128 -0.505 -4.906 1.00 . A A . 5 ARG NH1 1 1
1 86 1 1 6 ARG NH2 N -11.180 1.795 -4.887 1.00 . A A . 5 ARG NH2 1 1
1 87 1 1 6 ARG O O -15.573 2.697 -0.725 1.00 . A A . 5 ARG O 1 1
1 88 1 1 7 ARG C C -13.363 5.158 1.064 1.00 . A A . 6 ARG C 1 1
1 89 1 1 7 ARG CA C -14.432 4.153 1.498 1.00 . A A . 6 ARG CA 1 1
1 90 1 1 7 ARG CB C -14.546 4.027 3.024 1.00 . A A . 6 ARG CB 1 1
1 91 1 1 7 ARG CD C -17.073 3.425 3.338 1.00 . A A . 6 ARG CD 1 1
1 92 1 1 7 ARG CG C -15.609 3.030 3.514 1.00 . A A . 6 ARG CG 1 1
1 93 1 1 7 ARG CZ C -18.183 3.853 1.157 1.00 . A A . 6 ARG CZ 1 1
1 94 1 1 7 ARG H H -13.357 2.408 1.474 1.00 . A A . 6 ARG H 1 1
1 95 1 1 7 ARG HA H -15.391 4.427 1.094 1.00 . A A . 6 ARG HA 1 1
1 96 1 1 7 ARG HB2 H -13.594 3.648 3.393 1.00 . A A . 6 ARG HB2 1 1
1 97 1 1 7 ARG HB3 H -14.744 5.005 3.464 1.00 . A A . 6 ARG HB3 1 1
1 98 1 1 7 ARG HD2 H -17.674 2.871 4.055 1.00 . A A . 6 ARG HD2 1 1
1 99 1 1 7 ARG HD3 H -17.194 4.489 3.535 1.00 . A A . 6 ARG HD3 1 1
1 100 1 1 7 ARG HE H -17.495 2.062 1.783 1.00 . A A . 6 ARG HE 1 1
1 101 1 1 7 ARG HG2 H -15.430 2.068 3.038 1.00 . A A . 6 ARG HG2 1 1
1 102 1 1 7 ARG HG3 H -15.466 2.914 4.581 1.00 . A A . 6 ARG HG3 1 1
1 103 1 1 7 ARG HH11 H -18.128 5.524 2.311 1.00 . A A . 6 ARG HH11 1 1
1 104 1 1 7 ARG HH12 H -18.840 5.731 0.728 1.00 . A A . 6 ARG HH12 1 1
1 105 1 1 7 ARG HH21 H -18.393 2.394 -0.230 1.00 . A A . 6 ARG HH21 1 1
1 106 1 1 7 ARG HH22 H -19.000 3.973 -0.688 1.00 . A A . 6 ARG HH22 1 1
1 107 1 1 7 ARG N N -14.075 2.878 0.961 1.00 . A A . 6 ARG N 1 1
1 108 1 1 7 ARG NE N -17.579 3.043 2.026 1.00 . A A . 6 ARG NE 1 1
1 109 1 1 7 ARG NH1 N -18.439 5.130 1.434 1.00 . A A . 6 ARG NH1 1 1
1 110 1 1 7 ARG NH2 N -18.531 3.374 -0.028 1.00 . A A . 6 ARG NH2 1 1
1 111 1 1 7 ARG O O -12.187 4.832 0.902 1.00 . A A . 6 ARG O 1 1
1 112 1 1 8 ASP C C -12.260 8.110 1.738 1.00 . A A . 7 ASP C 1 1
1 113 1 1 8 ASP CA C -13.007 7.556 0.525 1.00 . A A . 7 ASP CA 1 1
1 114 1 1 8 ASP CB C -13.972 8.632 0.017 1.00 . A A . 7 ASP CB 1 1
1 115 1 1 8 ASP CG C -14.639 8.262 -1.318 1.00 . A A . 7 ASP CG 1 1
1 116 1 1 8 ASP H H -14.782 6.567 1.057 1.00 . A A . 7 ASP H 1 1
1 117 1 1 8 ASP HA H -12.290 7.296 -0.254 1.00 . A A . 7 ASP HA 1 1
1 118 1 1 8 ASP HB2 H -14.735 8.821 0.772 1.00 . A A . 7 ASP HB2 1 1
1 119 1 1 8 ASP HB3 H -13.427 9.563 -0.069 1.00 . A A . 7 ASP HB3 1 1
1 120 1 1 8 ASP N N -13.809 6.393 0.875 1.00 . A A . 7 ASP N 1 1
1 121 1 1 8 ASP O O -11.295 8.856 1.594 1.00 . A A . 7 ASP O 1 1
1 122 1 1 8 ASP OD1 O -13.941 7.691 -2.187 1.00 . A A . 7 ASP OD1 1 1
1 123 1 1 8 ASP OD2 O -15.852 8.535 -1.441 1.00 . A A . 7 ASP OD2 1 1
1 124 1 1 9 SER C C -11.085 7.848 4.796 1.00 . A A . 8 SER C 1 1
1 125 1 1 9 SER CA C -12.373 8.396 4.179 1.00 . A A . 8 SER CA 1 1
1 126 1 1 9 SER CB C -13.561 8.243 5.125 1.00 . A A . 8 SER CB 1 1
1 127 1 1 9 SER H H -13.547 7.182 2.978 1.00 . A A . 8 SER H 1 1
1 128 1 1 9 SER HA H -12.236 9.450 3.968 1.00 . A A . 8 SER HA 1 1
1 129 1 1 9 SER HB2 H -13.844 7.195 5.216 1.00 . A A . 8 SER HB2 1 1
1 130 1 1 9 SER HB3 H -13.297 8.609 6.112 1.00 . A A . 8 SER HB3 1 1
1 131 1 1 9 SER HG H -15.364 8.978 5.231 1.00 . A A . 8 SER HG 1 1
1 132 1 1 9 SER N N -12.735 7.768 2.935 1.00 . A A . 8 SER N 1 1
1 133 1 1 9 SER O O -10.837 8.135 5.963 1.00 . A A . 8 SER O 1 1
1 134 1 1 9 SER OG O -14.633 8.999 4.608 1.00 . A A . 8 SER OG 1 1
1 135 1 1 10 GLY C C -8.010 7.235 3.483 1.00 . A A . 9 GLY C 1 1
1 136 1 1 10 GLY CA C -8.982 6.602 4.471 1.00 . A A . 9 GLY CA 1 1
1 137 1 1 10 GLY H H -10.437 6.986 3.052 1.00 . A A . 9 GLY H 1 1
1 138 1 1 10 GLY HA2 H -8.747 6.917 5.479 1.00 . A A . 9 GLY HA2 1 1
1 139 1 1 10 GLY HA3 H -8.967 5.514 4.431 1.00 . A A . 9 GLY HA3 1 1
1 140 1 1 10 GLY N N -10.285 7.067 4.051 1.00 . A A . 9 GLY N 1 1
1 141 1 1 10 GLY O O -8.031 8.447 3.324 1.00 . A A . 9 GLY O 1 1
1 142 1 1 11 TYR C C -5.776 4.663 2.020 1.00 . A A . 10 TYR C 1 1
1 143 1 1 11 TYR CA C -7.015 5.057 2.818 1.00 . A A . 10 TYR CA 1 1
1 144 1 1 11 TYR CB C -8.246 4.397 2.179 1.00 . A A . 10 TYR CB 1 1
1 145 1 1 11 TYR CD1 C -8.120 2.344 3.656 1.00 . A A . 10 TYR CD1 1 1
1 146 1 1 11 TYR CD2 C -10.273 3.380 3.248 1.00 . A A . 10 TYR CD2 1 1
1 147 1 1 11 TYR CE1 C -8.735 1.343 4.410 1.00 . A A . 10 TYR CE1 1 1
1 148 1 1 11 TYR CE2 C -10.899 2.374 3.989 1.00 . A A . 10 TYR CE2 1 1
1 149 1 1 11 TYR CG C -8.888 3.347 3.046 1.00 . A A . 10 TYR CG 1 1
1 150 1 1 11 TYR CZ C -10.139 1.324 4.544 1.00 . A A . 10 TYR CZ 1 1
1 151 1 1 11 TYR H H -6.886 6.853 1.882 1.00 . A A . 10 TYR H 1 1
1 152 1 1 11 TYR HA H -6.899 4.754 3.859 1.00 . A A . 10 TYR HA 1 1
1 153 1 1 11 TYR HB2 H -8.999 5.150 1.938 1.00 . A A . 10 TYR HB2 1 1
1 154 1 1 11 TYR HB3 H -7.967 3.958 1.223 1.00 . A A . 10 TYR HB3 1 1
1 155 1 1 11 TYR HD1 H -7.055 2.330 3.550 1.00 . A A . 10 TYR HD1 1 1
1 156 1 1 11 TYR HD2 H -10.849 4.190 2.842 1.00 . A A . 10 TYR HD2 1 1
1 157 1 1 11 TYR HE1 H -8.117 0.615 4.899 1.00 . A A . 10 TYR HE1 1 1
1 158 1 1 11 TYR HE2 H -11.956 2.430 4.160 1.00 . A A . 10 TYR HE2 1 1
1 159 1 1 11 TYR HH H -11.706 0.455 5.310 1.00 . A A . 10 TYR HH 1 1
1 160 1 1 11 TYR N N -7.192 6.478 2.753 1.00 . A A . 10 TYR N 1 1
1 161 1 1 11 TYR O O -5.423 5.306 1.034 1.00 . A A . 10 TYR O 1 1
1 162 1 1 11 TYR OH O -10.755 0.335 5.250 1.00 . A A . 10 TYR OH 1 1
1 163 1 1 12 GLU C C -5.428 1.208 1.744 1.00 . A A . 11 GLU C 1 1
1 164 1 1 12 GLU CA C -4.778 2.548 1.388 1.00 . A A . 11 GLU CA 1 1
1 165 1 1 12 GLU CB C -3.271 2.487 1.462 1.00 . A A . 11 GLU CB 1 1
1 166 1 1 12 GLU CD C -1.341 1.035 0.806 1.00 . A A . 11 GLU CD 1 1
1 167 1 1 12 GLU CG C -2.685 1.577 0.391 1.00 . A A . 11 GLU CG 1 1
1 168 1 1 12 GLU H H -5.393 3.125 3.281 1.00 . A A . 11 GLU H 1 1
1 169 1 1 12 GLU HA H -5.081 2.871 0.390 1.00 . A A . 11 GLU HA 1 1
1 170 1 1 12 GLU HB2 H -2.884 3.495 1.350 1.00 . A A . 11 GLU HB2 1 1
1 171 1 1 12 GLU HB3 H -2.990 2.141 2.459 1.00 . A A . 11 GLU HB3 1 1
1 172 1 1 12 GLU HG2 H -3.324 0.690 0.269 1.00 . A A . 11 GLU HG2 1 1
1 173 1 1 12 GLU HG3 H -2.633 2.055 -0.576 1.00 . A A . 11 GLU HG3 1 1
1 174 1 1 12 GLU N N -5.220 3.506 2.368 1.00 . A A . 11 GLU N 1 1
1 175 1 1 12 GLU O O -5.005 0.531 2.684 1.00 . A A . 11 GLU O 1 1
1 176 1 1 12 GLU OE1 O -0.532 1.916 1.423 1.00 . A A . 11 GLU OE1 1 1
1 177 1 1 12 GLU OE2 O -1.041 -0.050 0.590 1.00 . A A . 11 GLU OE2 1 1
1 178 1 1 13 VAL C C -6.591 -1.620 1.218 1.00 . A A . 12 VAL C 1 1
1 179 1 1 13 VAL CA C -7.341 -0.299 1.239 1.00 . A A . 12 VAL CA 1 1
1 180 1 1 13 VAL CB C -8.524 -0.294 0.252 1.00 . A A . 12 VAL CB 1 1
1 181 1 1 13 VAL CG1 C -9.335 -1.596 0.275 1.00 . A A . 12 VAL CG1 1 1
1 182 1 1 13 VAL CG2 C -9.484 0.828 0.645 1.00 . A A . 12 VAL CG2 1 1
1 183 1 1 13 VAL H H -6.786 1.483 0.279 1.00 . A A . 12 VAL H 1 1
1 184 1 1 13 VAL HA H -7.741 -0.193 2.233 1.00 . A A . 12 VAL HA 1 1
1 185 1 1 13 VAL HB H -8.157 -0.121 -0.762 1.00 . A A . 12 VAL HB 1 1
1 186 1 1 13 VAL HG11 H -10.211 -1.502 -0.353 1.00 . A A . 12 VAL HG11 1 1
1 187 1 1 13 VAL HG12 H -8.738 -2.418 -0.118 1.00 . A A . 12 VAL HG12 1 1
1 188 1 1 13 VAL HG13 H -9.648 -1.818 1.295 1.00 . A A . 12 VAL HG13 1 1
1 189 1 1 13 VAL HG21 H -10.309 0.856 -0.062 1.00 . A A . 12 VAL HG21 1 1
1 190 1 1 13 VAL HG22 H -9.858 0.645 1.650 1.00 . A A . 12 VAL HG22 1 1
1 191 1 1 13 VAL HG23 H -8.957 1.778 0.605 1.00 . A A . 12 VAL HG23 1 1
1 192 1 1 13 VAL N N -6.478 0.853 0.995 1.00 . A A . 12 VAL N 1 1
1 193 1 1 13 VAL O O -7.091 -2.600 1.763 1.00 . A A . 12 VAL O 1 1
1 194 1 1 14 HIS C C -4.248 -3.448 1.954 1.00 . A A . 13 HIS C 1 1
1 195 1 1 14 HIS CA C -4.613 -2.863 0.577 1.00 . A A . 13 HIS CA 1 1
1 196 1 1 14 HIS CB C -3.373 -2.557 -0.251 1.00 . A A . 13 HIS CB 1 1
1 197 1 1 14 HIS CD2 C -1.292 -3.983 0.162 1.00 . A A . 13 HIS CD2 1 1
1 198 1 1 14 HIS CE1 C -1.728 -5.665 -1.162 1.00 . A A . 13 HIS CE1 1 1
1 199 1 1 14 HIS CG C -2.481 -3.738 -0.467 1.00 . A A . 13 HIS CG 1 1
1 200 1 1 14 HIS H H -5.011 -0.823 0.211 1.00 . A A . 13 HIS H 1 1
1 201 1 1 14 HIS HA H -5.270 -3.543 0.059 1.00 . A A . 13 HIS HA 1 1
1 202 1 1 14 HIS HB2 H -3.683 -2.175 -1.223 1.00 . A A . 13 HIS HB2 1 1
1 203 1 1 14 HIS HB3 H -2.804 -1.789 0.266 1.00 . A A . 13 HIS HB3 1 1
1 204 1 1 14 HIS HD1 H -3.521 -4.888 -1.931 1.00 . A A . 13 HIS HD1 1 1
1 205 1 1 14 HIS HD2 H -0.825 -3.360 0.910 1.00 . A A . 13 HIS HD2 1 1
1 206 1 1 14 HIS HE1 H -1.659 -6.599 -1.700 1.00 . A A . 13 HIS HE1 1 1
1 207 1 1 14 HIS N N -5.389 -1.652 0.645 1.00 . A A . 13 HIS N 1 1
1 208 1 1 14 HIS ND1 N -2.739 -4.798 -1.299 1.00 . A A . 13 HIS ND1 1 1
1 209 1 1 14 HIS NE2 N -0.804 -5.202 -0.305 1.00 . A A . 13 HIS NE2 1 1
1 210 1 1 14 HIS O O -3.931 -4.633 2.051 1.00 . A A . 13 HIS O 1 1
1 211 1 1 15 HIS C C -5.331 -3.204 5.227 1.00 . A A . 14 HIS C 1 1
1 212 1 1 15 HIS CA C -4.057 -3.013 4.387 1.00 . A A . 14 HIS CA 1 1
1 213 1 1 15 HIS CB C -3.145 -1.956 5.007 1.00 . A A . 14 HIS CB 1 1
1 214 1 1 15 HIS CD2 C -1.410 -0.911 3.484 1.00 . A A . 14 HIS CD2 1 1
1 215 1 1 15 HIS CE1 C 0.181 -2.401 3.553 1.00 . A A . 14 HIS CE1 1 1
1 216 1 1 15 HIS CG C -1.799 -1.893 4.341 1.00 . A A . 14 HIS CG 1 1
1 217 1 1 15 HIS H H -4.601 -1.664 2.842 1.00 . A A . 14 HIS H 1 1
1 218 1 1 15 HIS HA H -3.529 -3.967 4.382 1.00 . A A . 14 HIS HA 1 1
1 219 1 1 15 HIS HB2 H -3.630 -0.981 4.948 1.00 . A A . 14 HIS HB2 1 1
1 220 1 1 15 HIS HB3 H -2.995 -2.176 6.052 1.00 . A A . 14 HIS HB3 1 1
1 221 1 1 15 HIS HD1 H -0.778 -3.683 4.919 1.00 . A A . 14 HIS HD1 1 1
1 222 1 1 15 HIS HD2 H -2.021 -0.068 3.211 1.00 . A A . 14 HIS HD2 1 1
1 223 1 1 15 HIS HE1 H 1.087 -2.934 3.329 1.00 . A A . 14 HIS HE1 1 1
1 224 1 1 15 HIS N N -4.322 -2.624 3.007 1.00 . A A . 14 HIS N 1 1
1 225 1 1 15 HIS ND1 N -0.785 -2.825 4.387 1.00 . A A . 14 HIS ND1 1 1
1 226 1 1 15 HIS NE2 N -0.141 -1.237 2.991 1.00 . A A . 14 HIS NE2 1 1
1 227 1 1 15 HIS O O -5.230 -3.470 6.424 1.00 . A A . 14 HIS O 1 1
1 228 1 1 16 GLN C C -8.508 -4.510 4.304 1.00 . A A . 15 GLN C 1 1
1 229 1 1 16 GLN CA C -7.788 -3.490 5.184 1.00 . A A . 15 GLN CA 1 1
1 230 1 1 16 GLN CB C -8.650 -2.259 5.475 1.00 . A A . 15 GLN CB 1 1
1 231 1 1 16 GLN CD C -8.734 -2.507 8.029 1.00 . A A . 15 GLN CD 1 1
1 232 1 1 16 GLN CG C -8.315 -1.633 6.838 1.00 . A A . 15 GLN CG 1 1
1 233 1 1 16 GLN H H -6.564 -2.832 3.657 1.00 . A A . 15 GLN H 1 1
1 234 1 1 16 GLN HA H -7.572 -3.999 6.102 1.00 . A A . 15 GLN HA 1 1
1 235 1 1 16 GLN HB2 H -8.520 -1.543 4.672 1.00 . A A . 15 GLN HB2 1 1
1 236 1 1 16 GLN HB3 H -9.696 -2.533 5.477 1.00 . A A . 15 GLN HB3 1 1
1 237 1 1 16 GLN HE21 H -8.525 -0.942 9.299 1.00 . A A . 15 GLN HE21 1 1
1 238 1 1 16 GLN HE22 H -9.040 -2.450 10.029 1.00 . A A . 15 GLN HE22 1 1
1 239 1 1 16 GLN HG2 H -7.246 -1.425 6.900 1.00 . A A . 15 GLN HG2 1 1
1 240 1 1 16 GLN HG3 H -8.834 -0.678 6.916 1.00 . A A . 15 GLN HG3 1 1
1 241 1 1 16 GLN N N -6.520 -3.089 4.621 1.00 . A A . 15 GLN N 1 1
1 242 1 1 16 GLN NE2 N -8.763 -1.920 9.216 1.00 . A A . 15 GLN NE2 1 1
1 243 1 1 16 GLN O O -8.085 -4.808 3.190 1.00 . A A . 15 GLN O 1 1
1 244 1 1 16 GLN OE1 O -9.038 -3.691 7.908 1.00 . A A . 15 GLN OE1 1 1
1 245 1 1 17 LYS C C -11.630 -6.049 3.831 1.00 . A A . 16 LYS C 1 1
1 246 1 1 17 LYS CA C -10.199 -6.300 4.318 1.00 . A A . 16 LYS CA 1 1
1 247 1 1 17 LYS CB C -10.168 -7.410 5.383 1.00 . A A . 16 LYS CB 1 1
1 248 1 1 17 LYS CD C -8.706 -9.014 6.696 1.00 . A A . 16 LYS CD 1 1
1 249 1 1 17 LYS CE C -7.270 -9.343 7.103 1.00 . A A . 16 LYS CE 1 1
1 250 1 1 17 LYS CG C -8.740 -7.746 5.831 1.00 . A A . 16 LYS CG 1 1
1 251 1 1 17 LYS H H -9.891 -4.750 5.755 1.00 . A A . 16 LYS H 1 1
1 252 1 1 17 LYS HA H -9.621 -6.650 3.465 1.00 . A A . 16 LYS HA 1 1
1 253 1 1 17 LYS HB2 H -10.758 -7.108 6.249 1.00 . A A . 16 LYS HB2 1 1
1 254 1 1 17 LYS HB3 H -10.608 -8.309 4.955 1.00 . A A . 16 LYS HB3 1 1
1 255 1 1 17 LYS HD2 H -9.315 -8.889 7.591 1.00 . A A . 16 LYS HD2 1 1
1 256 1 1 17 LYS HD3 H -9.106 -9.852 6.126 1.00 . A A . 16 LYS HD3 1 1
1 257 1 1 17 LYS HE2 H -7.265 -10.291 7.643 1.00 . A A . 16 LYS HE2 1 1
1 258 1 1 17 LYS HE3 H -6.657 -9.440 6.208 1.00 . A A . 16 LYS HE3 1 1
1 259 1 1 17 LYS HG2 H -8.117 -7.910 4.952 1.00 . A A . 16 LYS HG2 1 1
1 260 1 1 17 LYS HG3 H -8.332 -6.905 6.393 1.00 . A A . 16 LYS HG3 1 1
1 261 1 1 17 LYS HZ1 H -5.771 -8.577 8.260 1.00 . A A . 16 LYS HZ1 1 1
1 262 1 1 17 LYS HZ2 H -6.615 -7.432 7.441 1.00 . A A . 16 LYS HZ2 1 1
1 263 1 1 17 LYS HZ3 H -7.282 -8.152 8.766 1.00 . A A . 16 LYS HZ3 1 1
1 264 1 1 17 LYS N N -9.578 -5.092 4.857 1.00 . A A . 16 LYS N 1 1
1 265 1 1 17 LYS NZ N -6.693 -8.297 7.958 1.00 . A A . 16 LYS NZ 1 1
1 266 1 1 17 LYS O O -12.047 -6.613 2.825 1.00 . A A . 16 LYS O 1 1
1 267 1 1 18 NH2 HN1 H -13.349 -5.048 4.213 1.00 . A A . 17 NH2 HN1 1 1
1 268 1 1 18 NH2 HN2 H -12.060 -4.773 5.361 1.00 . A A . 17 NH2 HN2 1 1
1 269 1 1 18 NH2 N N -12.397 -5.202 4.513 1.00 . A A . 17 NH2 N 1 1
1 270 2 1 1 ACE C C 11.846 5.890 -5.893 1.00 . B B . 0 ACE C 1 1
1 271 2 1 1 ACE CH3 C 10.796 5.852 -4.787 1.00 . B B . 0 ACE CH3 1 1
1 272 2 1 1 ACE H1 H 11.268 5.866 -3.810 1.00 . B B . 0 ACE H1 1 1
1 273 2 1 1 ACE H2 H 10.147 6.721 -4.863 1.00 . B B . 0 ACE H2 1 1
1 274 2 1 1 ACE H3 H 10.196 4.948 -4.878 1.00 . B B . 0 ACE H3 1 1
1 275 2 1 1 ACE O O 11.481 5.952 -7.066 1.00 . B B . 0 ACE O 1 1
1 276 2 1 2 ASP C C 14.705 4.327 -6.696 1.00 . B B . 1 ASP C 1 1
1 277 2 1 2 ASP CA C 14.262 5.770 -6.445 1.00 . B B . 1 ASP CA 1 1
1 278 2 1 2 ASP CB C 15.447 6.561 -5.880 1.00 . B B . 1 ASP CB 1 1
1 279 2 1 2 ASP CG C 16.532 6.777 -6.924 1.00 . B B . 1 ASP CG 1 1
1 280 2 1 2 ASP H H 13.355 5.769 -4.535 1.00 . B B . 1 ASP H 1 1
1 281 2 1 2 ASP HA H 13.958 6.217 -7.392 1.00 . B B . 1 ASP HA 1 1
1 282 2 1 2 ASP HB2 H 15.119 7.531 -5.530 1.00 . B B . 1 ASP HB2 1 1
1 283 2 1 2 ASP HB3 H 15.869 6.016 -5.040 1.00 . B B . 1 ASP HB3 1 1
1 284 2 1 2 ASP N N 13.133 5.830 -5.518 1.00 . B B . 1 ASP N 1 1
1 285 2 1 2 ASP O O 14.427 3.453 -5.882 1.00 . B B . 1 ASP O 1 1
1 286 2 1 2 ASP OD1 O 16.202 6.989 -8.092 1.00 . B B . 1 ASP OD1 1 1
1 287 2 1 2 ASP OD2 O 17.718 6.675 -6.494 1.00 . B B . 1 ASP OD2 1 1
1 288 2 1 3 ALA C C 16.379 1.816 -7.419 1.00 . B B . 2 ALA C 1 1
1 289 2 1 3 ALA CA C 15.742 2.801 -8.383 1.00 . B B . 2 ALA CA 1 1
1 290 2 1 3 ALA CB C 16.687 3.016 -9.557 1.00 . B B . 2 ALA CB 1 1
1 291 2 1 3 ALA H H 15.676 4.910 -8.366 1.00 . B B . 2 ALA H 1 1
1 292 2 1 3 ALA HA H 14.838 2.339 -8.764 1.00 . B B . 2 ALA HA 1 1
1 293 2 1 3 ALA HB1 H 16.932 2.045 -9.978 1.00 . B B . 2 ALA HB1 1 1
1 294 2 1 3 ALA HB2 H 16.201 3.632 -10.309 1.00 . B B . 2 ALA HB2 1 1
1 295 2 1 3 ALA HB3 H 17.597 3.505 -9.214 1.00 . B B . 2 ALA HB3 1 1
1 296 2 1 3 ALA N N 15.423 4.105 -7.807 1.00 . B B . 2 ALA N 1 1
1 297 2 1 3 ALA O O 16.134 0.622 -7.531 1.00 . B B . 2 ALA O 1 1
1 298 2 1 4 GLU C C 17.146 0.710 -4.612 1.00 . B B . 3 GLU C 1 1
1 299 2 1 4 GLU CA C 18.001 1.505 -5.594 1.00 . B B . 3 GLU CA 1 1
1 300 2 1 4 GLU CB C 18.912 2.442 -4.809 1.00 . B B . 3 GLU CB 1 1
1 301 2 1 4 GLU CD C 20.676 4.222 -4.928 1.00 . B B . 3 GLU CD 1 1
1 302 2 1 4 GLU CG C 19.581 3.489 -5.692 1.00 . B B . 3 GLU CG 1 1
1 303 2 1 4 GLU H H 17.289 3.315 -6.426 1.00 . B B . 3 GLU H 1 1
1 304 2 1 4 GLU HA H 18.606 0.822 -6.189 1.00 . B B . 3 GLU HA 1 1
1 305 2 1 4 GLU HB2 H 18.300 2.978 -4.086 1.00 . B B . 3 GLU HB2 1 1
1 306 2 1 4 GLU HB3 H 19.665 1.851 -4.288 1.00 . B B . 3 GLU HB3 1 1
1 307 2 1 4 GLU HG2 H 19.994 2.994 -6.573 1.00 . B B . 3 GLU HG2 1 1
1 308 2 1 4 GLU HG3 H 18.809 4.198 -5.995 1.00 . B B . 3 GLU HG3 1 1
1 309 2 1 4 GLU N N 17.183 2.312 -6.484 1.00 . B B . 3 GLU N 1 1
1 310 2 1 4 GLU O O 17.514 -0.404 -4.250 1.00 . B B . 3 GLU O 1 1
1 311 2 1 4 GLU OE1 O 20.308 4.962 -3.984 1.00 . B B . 3 GLU OE1 1 1
1 312 2 1 4 GLU OE2 O 21.852 3.998 -5.267 1.00 . B B . 3 GLU OE2 1 1
1 313 2 1 5 PHE C C 13.643 0.533 -3.854 1.00 . B B . 4 PHE C 1 1
1 314 2 1 5 PHE CA C 15.050 0.726 -3.274 1.00 . B B . 4 PHE CA 1 1
1 315 2 1 5 PHE CB C 15.067 1.546 -1.995 1.00 . B B . 4 PHE CB 1 1
1 316 2 1 5 PHE CD1 C 13.174 3.179 -1.937 1.00 . B B . 4 PHE CD1 1 1
1 317 2 1 5 PHE CD2 C 15.405 3.987 -2.471 1.00 . B B . 4 PHE CD2 1 1
1 318 2 1 5 PHE CE1 C 12.673 4.488 -2.020 1.00 . B B . 4 PHE CE1 1 1
1 319 2 1 5 PHE CE2 C 14.908 5.297 -2.564 1.00 . B B . 4 PHE CE2 1 1
1 320 2 1 5 PHE CG C 14.536 2.941 -2.141 1.00 . B B . 4 PHE CG 1 1
1 321 2 1 5 PHE CZ C 13.545 5.549 -2.328 1.00 . B B . 4 PHE CZ 1 1
1 322 2 1 5 PHE H H 15.883 2.266 -4.475 1.00 . B B . 4 PHE H 1 1
1 323 2 1 5 PHE HA H 15.384 -0.265 -3.007 1.00 . B B . 4 PHE HA 1 1
1 324 2 1 5 PHE HB2 H 14.484 1.021 -1.245 1.00 . B B . 4 PHE HB2 1 1
1 325 2 1 5 PHE HB3 H 16.095 1.609 -1.645 1.00 . B B . 4 PHE HB3 1 1
1 326 2 1 5 PHE HD1 H 12.539 2.333 -1.723 1.00 . B B . 4 PHE HD1 1 1
1 327 2 1 5 PHE HD2 H 16.444 3.760 -2.657 1.00 . B B . 4 PHE HD2 1 1
1 328 2 1 5 PHE HE1 H 11.623 4.678 -1.855 1.00 . B B . 4 PHE HE1 1 1
1 329 2 1 5 PHE HE2 H 15.570 6.111 -2.816 1.00 . B B . 4 PHE HE2 1 1
1 330 2 1 5 PHE HZ H 13.168 6.558 -2.406 1.00 . B B . 4 PHE HZ 1 1
1 331 2 1 5 PHE N N 16.017 1.302 -4.201 1.00 . B B . 4 PHE N 1 1
1 332 2 1 5 PHE O O 12.799 -0.068 -3.193 1.00 . B B . 4 PHE O 1 1
1 333 2 1 6 ARG C C 12.876 -0.971 -6.477 1.00 . B B . 5 ARG C 1 1
1 334 2 1 6 ARG CA C 12.406 0.402 -5.998 1.00 . B B . 5 ARG CA 1 1
1 335 2 1 6 ARG CB C 12.142 1.378 -7.146 1.00 . B B . 5 ARG CB 1 1
1 336 2 1 6 ARG CD C 9.850 2.213 -6.232 1.00 . B B . 5 ARG CD 1 1
1 337 2 1 6 ARG CG C 11.258 2.571 -6.725 1.00 . B B . 5 ARG CG 1 1
1 338 2 1 6 ARG CZ C 8.730 1.339 -8.266 1.00 . B B . 5 ARG CZ 1 1
1 339 2 1 6 ARG H H 14.122 1.528 -5.543 1.00 . B B . 5 ARG H 1 1
1 340 2 1 6 ARG HA H 11.481 0.257 -5.456 1.00 . B B . 5 ARG HA 1 1
1 341 2 1 6 ARG HB2 H 13.100 1.742 -7.510 1.00 . B B . 5 ARG HB2 1 1
1 342 2 1 6 ARG HB3 H 11.665 0.849 -7.971 1.00 . B B . 5 ARG HB3 1 1
1 343 2 1 6 ARG HD2 H 9.903 1.828 -5.225 1.00 . B B . 5 ARG HD2 1 1
1 344 2 1 6 ARG HD3 H 9.225 3.106 -6.221 1.00 . B B . 5 ARG HD3 1 1
1 345 2 1 6 ARG HE H 9.298 0.225 -6.698 1.00 . B B . 5 ARG HE 1 1
1 346 2 1 6 ARG HG2 H 11.763 3.130 -5.940 1.00 . B B . 5 ARG HG2 1 1
1 347 2 1 6 ARG HG3 H 11.132 3.227 -7.581 1.00 . B B . 5 ARG HG3 1 1
1 348 2 1 6 ARG HH11 H 8.918 3.367 -8.349 1.00 . B B . 5 ARG HH11 1 1
1 349 2 1 6 ARG HH12 H 8.194 2.616 -9.751 1.00 . B B . 5 ARG HH12 1 1
1 350 2 1 6 ARG HH21 H 8.492 -0.656 -8.535 1.00 . B B . 5 ARG HH21 1 1
1 351 2 1 6 ARG HH22 H 8.022 0.347 -9.885 1.00 . B B . 5 ARG HH22 1 1
1 352 2 1 6 ARG N N 13.421 0.946 -5.107 1.00 . B B . 5 ARG N 1 1
1 353 2 1 6 ARG NE N 9.231 1.171 -7.045 1.00 . B B . 5 ARG NE 1 1
1 354 2 1 6 ARG NH1 N 8.595 2.539 -8.825 1.00 . B B . 5 ARG NH1 1 1
1 355 2 1 6 ARG NH2 N 8.377 0.260 -8.943 1.00 . B B . 5 ARG NH2 1 1
1 356 2 1 6 ARG O O 13.382 -1.136 -7.586 1.00 . B B . 5 ARG O 1 1
1 357 2 1 7 ARG C C 11.988 -4.242 -5.459 1.00 . B B . 6 ARG C 1 1
1 358 2 1 7 ARG CA C 13.181 -3.300 -5.637 1.00 . B B . 6 ARG CA 1 1
1 359 2 1 7 ARG CB C 14.191 -3.525 -4.501 1.00 . B B . 6 ARG CB 1 1
1 360 2 1 7 ARG CD C 16.431 -3.023 -5.712 1.00 . B B . 6 ARG CD 1 1
1 361 2 1 7 ARG CG C 15.453 -2.663 -4.586 1.00 . B B . 6 ARG CG 1 1
1 362 2 1 7 ARG CZ C 16.229 -2.631 -8.176 1.00 . B B . 6 ARG CZ 1 1
1 363 2 1 7 ARG H H 12.407 -1.673 -4.659 1.00 . B B . 6 ARG H 1 1
1 364 2 1 7 ARG HA H 13.653 -3.458 -6.591 1.00 . B B . 6 ARG HA 1 1
1 365 2 1 7 ARG HB2 H 13.708 -3.245 -3.563 1.00 . B B . 6 ARG HB2 1 1
1 366 2 1 7 ARG HB3 H 14.475 -4.578 -4.462 1.00 . B B . 6 ARG HB3 1 1
1 367 2 1 7 ARG HD2 H 17.446 -2.853 -5.354 1.00 . B B . 6 ARG HD2 1 1
1 368 2 1 7 ARG HD3 H 16.322 -4.074 -5.962 1.00 . B B . 6 ARG HD3 1 1
1 369 2 1 7 ARG HE H 16.224 -1.192 -6.750 1.00 . B B . 6 ARG HE 1 1
1 370 2 1 7 ARG HG2 H 15.140 -1.625 -4.682 1.00 . B B . 6 ARG HG2 1 1
1 371 2 1 7 ARG HG3 H 15.983 -2.774 -3.639 1.00 . B B . 6 ARG HG3 1 1
1 372 2 1 7 ARG HH11 H 16.482 -4.604 -7.738 1.00 . B B . 6 ARG HH11 1 1
1 373 2 1 7 ARG HH12 H 16.368 -4.227 -9.434 1.00 . B B . 6 ARG HH12 1 1
1 374 2 1 7 ARG HH21 H 16.006 -0.775 -8.960 1.00 . B B . 6 ARG HH21 1 1
1 375 2 1 7 ARG HH22 H 16.098 -2.069 -10.134 1.00 . B B . 6 ARG HH22 1 1
1 376 2 1 7 ARG N N 12.726 -1.936 -5.568 1.00 . B B . 6 ARG N 1 1
1 377 2 1 7 ARG NE N 16.254 -2.193 -6.907 1.00 . B B . 6 ARG NE 1 1
1 378 2 1 7 ARG NH1 N 16.341 -3.925 -8.473 1.00 . B B . 6 ARG NH1 1 1
1 379 2 1 7 ARG NH2 N 16.097 -1.758 -9.176 1.00 . B B . 6 ARG NH2 1 1
1 380 2 1 7 ARG O O 11.032 -3.920 -4.753 1.00 . B B . 6 ARG O 1 1
1 381 2 1 8 ASP C C 11.515 -7.259 -4.432 1.00 . B B . 7 ASP C 1 1
1 382 2 1 8 ASP CA C 11.198 -6.561 -5.763 1.00 . B B . 7 ASP CA 1 1
1 383 2 1 8 ASP CB C 11.318 -7.580 -6.886 1.00 . B B . 7 ASP CB 1 1
1 384 2 1 8 ASP CG C 10.727 -7.032 -8.176 1.00 . B B . 7 ASP CG 1 1
1 385 2 1 8 ASP H H 12.857 -5.607 -6.683 1.00 . B B . 7 ASP H 1 1
1 386 2 1 8 ASP HA H 10.175 -6.194 -5.745 1.00 . B B . 7 ASP HA 1 1
1 387 2 1 8 ASP HB2 H 12.372 -7.826 -7.030 1.00 . B B . 7 ASP HB2 1 1
1 388 2 1 8 ASP HB3 H 10.789 -8.489 -6.602 1.00 . B B . 7 ASP HB3 1 1
1 389 2 1 8 ASP N N 12.093 -5.438 -6.045 1.00 . B B . 7 ASP N 1 1
1 390 2 1 8 ASP O O 10.784 -8.156 -4.014 1.00 . B B . 7 ASP O 1 1
1 391 2 1 8 ASP OD1 O 11.486 -6.344 -8.884 1.00 . B B . 7 ASP OD1 1 1
1 392 2 1 8 ASP OD2 O 9.531 -7.310 -8.430 1.00 . B B . 7 ASP OD2 1 1
1 393 2 1 9 SER C C 12.432 -7.131 -1.309 1.00 . B B . 8 SER C 1 1
1 394 2 1 9 SER CA C 13.176 -7.498 -2.603 1.00 . B B . 8 SER CA 1 1
1 395 2 1 9 SER CB C 14.668 -7.168 -2.498 1.00 . B B . 8 SER CB 1 1
1 396 2 1 9 SER H H 13.231 -6.231 -4.264 1.00 . B B . 8 SER H 1 1
1 397 2 1 9 SER HA H 13.090 -8.564 -2.759 1.00 . B B . 8 SER HA 1 1
1 398 2 1 9 SER HB2 H 14.795 -6.100 -2.319 1.00 . B B . 8 SER HB2 1 1
1 399 2 1 9 SER HB3 H 15.103 -7.725 -1.670 1.00 . B B . 8 SER HB3 1 1
1 400 2 1 9 SER HG H 16.227 -7.173 -3.649 1.00 . B B . 8 SER HG 1 1
1 401 2 1 9 SER N N 12.629 -6.881 -3.797 1.00 . B B . 8 SER N 1 1
1 402 2 1 9 SER O O 12.977 -7.349 -0.230 1.00 . B B . 8 SER O 1 1
1 403 2 1 9 SER OG O 15.337 -7.533 -3.684 1.00 . B B . 8 SER OG 1 1
1 404 2 1 10 GLY C C 8.942 -6.823 -0.806 1.00 . B B . 9 GLY C 1 1
1 405 2 1 10 GLY CA C 10.303 -6.327 -0.309 1.00 . B B . 9 GLY CA 1 1
1 406 2 1 10 GLY H H 10.809 -6.434 -2.323 1.00 . B B . 9 GLY H 1 1
1 407 2 1 10 GLY HA2 H 10.604 -6.848 0.589 1.00 . B B . 9 GLY HA2 1 1
1 408 2 1 10 GLY HA3 H 10.296 -5.265 -0.072 1.00 . B B . 9 GLY HA3 1 1
1 409 2 1 10 GLY N N 11.219 -6.568 -1.406 1.00 . B B . 9 GLY N 1 1
1 410 2 1 10 GLY O O 8.767 -8.023 -0.986 1.00 . B B . 9 GLY O 1 1
1 411 2 1 11 TYR C C 6.620 -3.960 -1.291 1.00 . B B . 10 TYR C 1 1
1 412 2 1 11 TYR CA C 7.987 -4.528 -0.934 1.00 . B B . 10 TYR CA 1 1
1 413 2 1 11 TYR CB C 9.021 -3.899 -1.871 1.00 . B B . 10 TYR CB 1 1
1 414 2 1 11 TYR CD1 C 9.623 -2.128 -0.171 1.00 . B B . 10 TYR CD1 1 1
1 415 2 1 11 TYR CD2 C 11.375 -3.101 -1.545 1.00 . B B . 10 TYR CD2 1 1
1 416 2 1 11 TYR CE1 C 10.545 -1.241 0.392 1.00 . B B . 10 TYR CE1 1 1
1 417 2 1 11 TYR CE2 C 12.304 -2.215 -0.987 1.00 . B B . 10 TYR CE2 1 1
1 418 2 1 11 TYR CG C 10.027 -3.024 -1.173 1.00 . B B . 10 TYR CG 1 1
1 419 2 1 11 TYR CZ C 11.886 -1.247 -0.046 1.00 . B B . 10 TYR CZ 1 1
1 420 2 1 11 TYR H H 7.247 -6.234 -1.719 1.00 . B B . 10 TYR H 1 1
1 421 2 1 11 TYR HA H 8.219 -4.314 0.109 1.00 . B B . 10 TYR HA 1 1
1 422 2 1 11 TYR HB2 H 9.562 -4.662 -2.420 1.00 . B B . 10 TYR HB2 1 1
1 423 2 1 11 TYR HB3 H 8.501 -3.331 -2.637 1.00 . B B . 10 TYR HB3 1 1
1 424 2 1 11 TYR HD1 H 8.597 -2.094 0.143 1.00 . B B . 10 TYR HD1 1 1
1 425 2 1 11 TYR HD2 H 11.689 -3.846 -2.259 1.00 . B B . 10 TYR HD2 1 1
1 426 2 1 11 TYR HE1 H 10.216 -0.559 1.149 1.00 . B B . 10 TYR HE1 1 1
1 427 2 1 11 TYR HE2 H 13.337 -2.300 -1.265 1.00 . B B . 10 TYR HE2 1 1
1 428 2 1 11 TYR HH H 13.659 -0.448 0.097 1.00 . B B . 10 TYR HH 1 1
1 429 2 1 11 TYR N N 7.977 -5.948 -1.104 1.00 . B B . 10 TYR N 1 1
1 430 2 1 11 TYR O O 5.926 -4.450 -2.183 1.00 . B B . 10 TYR O 1 1
1 431 2 1 11 TYR OH O 12.776 -0.346 0.459 1.00 . B B . 10 TYR OH 1 1
1 432 2 1 12 GLU C C 6.052 -0.468 -0.817 1.00 . B B . 11 GLU C 1 1
1 433 2 1 12 GLU CA C 5.425 -1.827 -1.156 1.00 . B B . 11 GLU CA 1 1
1 434 2 1 12 GLU CB C 4.085 -2.057 -0.477 1.00 . B B . 11 GLU CB 1 1
1 435 2 1 12 GLU CD C 2.004 -0.808 -0.131 1.00 . B B . 11 GLU CD 1 1
1 436 2 1 12 GLU CG C 2.992 -1.256 -1.186 1.00 . B B . 11 GLU CG 1 1
1 437 2 1 12 GLU H H 6.871 -2.560 0.139 1.00 . B B . 11 GLU H 1 1
1 438 2 1 12 GLU HA H 5.329 -1.959 -2.233 1.00 . B B . 11 GLU HA 1 1
1 439 2 1 12 GLU HB2 H 3.841 -3.118 -0.502 1.00 . B B . 11 GLU HB2 1 1
1 440 2 1 12 GLU HB3 H 4.167 -1.747 0.562 1.00 . B B . 11 GLU HB3 1 1
1 441 2 1 12 GLU HG2 H 3.430 -0.433 -1.727 1.00 . B B . 11 GLU HG2 1 1
1 442 2 1 12 GLU HG3 H 2.482 -1.925 -1.876 1.00 . B B . 11 GLU HG3 1 1
1 443 2 1 12 GLU N N 6.330 -2.824 -0.666 1.00 . B B . 11 GLU N 1 1
1 444 2 1 12 GLU O O 5.758 0.139 0.213 1.00 . B B . 11 GLU O 1 1
1 445 2 1 12 GLU OE1 O 1.502 -1.511 0.610 1.00 . B B . 11 GLU OE1 1 1
1 446 2 1 12 GLU OE2 O 1.772 0.531 -0.168 1.00 . B B . 11 GLU OE2 1 1
1 447 2 1 13 VAL C C 7.391 2.318 -1.042 1.00 . B B . 12 VAL C 1 1
1 448 2 1 13 VAL CA C 7.987 0.991 -1.474 1.00 . B B . 12 VAL CA 1 1
1 449 2 1 13 VAL CB C 8.836 1.170 -2.752 1.00 . B B . 12 VAL CB 1 1
1 450 2 1 13 VAL CG1 C 9.897 2.270 -2.586 1.00 . B B . 12 VAL CG1 1 1
1 451 2 1 13 VAL CG2 C 9.594 -0.120 -3.060 1.00 . B B . 12 VAL CG2 1 1
1 452 2 1 13 VAL H H 7.082 -0.564 -2.527 1.00 . B B . 12 VAL H 1 1
1 453 2 1 13 VAL HA H 8.644 0.637 -0.699 1.00 . B B . 12 VAL HA 1 1
1 454 2 1 13 VAL HB H 8.186 1.417 -3.594 1.00 . B B . 12 VAL HB 1 1
1 455 2 1 13 VAL HG11 H 10.629 2.254 -3.390 1.00 . B B . 12 VAL HG11 1 1
1 456 2 1 13 VAL HG12 H 9.427 3.246 -2.595 1.00 . B B . 12 VAL HG12 1 1
1 457 2 1 13 VAL HG13 H 10.415 2.122 -1.641 1.00 . B B . 12 VAL HG13 1 1
1 458 2 1 13 VAL HG21 H 10.124 -0.016 -3.994 1.00 . B B . 12 VAL HG21 1 1
1 459 2 1 13 VAL HG22 H 10.295 -0.320 -2.256 1.00 . B B . 12 VAL HG22 1 1
1 460 2 1 13 VAL HG23 H 8.905 -0.954 -3.157 1.00 . B B . 12 VAL HG23 1 1
1 461 2 1 13 VAL N N 6.974 -0.039 -1.685 1.00 . B B . 12 VAL N 1 1
1 462 2 1 13 VAL O O 8.066 3.115 -0.391 1.00 . B B . 12 VAL O 1 1
1 463 2 1 14 HIS C C 5.401 4.342 0.118 1.00 . B B . 13 HIS C 1 1
1 464 2 1 14 HIS CA C 5.505 3.838 -1.320 1.00 . B B . 13 HIS CA 1 1
1 465 2 1 14 HIS CB C 4.141 3.807 -1.999 1.00 . B B . 13 HIS CB 1 1
1 466 2 1 14 HIS CD2 C 3.368 1.883 -3.499 1.00 . B B . 13 HIS CD2 1 1
1 467 2 1 14 HIS CE1 C 4.766 2.109 -5.172 1.00 . B B . 13 HIS CE1 1 1
1 468 2 1 14 HIS CG C 4.128 2.994 -3.266 1.00 . B B . 13 HIS CG 1 1
1 469 2 1 14 HIS H H 5.613 1.813 -1.880 1.00 . B B . 13 HIS H 1 1
1 470 2 1 14 HIS HA H 6.164 4.482 -1.887 1.00 . B B . 13 HIS HA 1 1
1 471 2 1 14 HIS HB2 H 3.397 3.404 -1.308 1.00 . B B . 13 HIS HB2 1 1
1 472 2 1 14 HIS HB3 H 3.893 4.834 -2.240 1.00 . B B . 13 HIS HB3 1 1
1 473 2 1 14 HIS HD1 H 5.673 3.860 -4.455 1.00 . B B . 13 HIS HD1 1 1
1 474 2 1 14 HIS HD2 H 2.619 1.478 -2.833 1.00 . B B . 13 HIS HD2 1 1
1 475 2 1 14 HIS HE1 H 5.279 1.955 -6.109 1.00 . B B . 13 HIS HE1 1 1
1 476 2 1 14 HIS N N 6.128 2.544 -1.408 1.00 . B B . 13 HIS N 1 1
1 477 2 1 14 HIS ND1 N 5.000 3.120 -4.324 1.00 . B B . 13 HIS ND1 1 1
1 478 2 1 14 HIS NE2 N 3.781 1.327 -4.711 1.00 . B B . 13 HIS NE2 1 1
1 479 2 1 14 HIS O O 5.312 5.543 0.337 1.00 . B B . 13 HIS O 1 1
1 480 2 1 15 HIS C C 6.387 2.783 3.329 1.00 . B B . 14 HIS C 1 1
1 481 2 1 15 HIS CA C 5.625 3.815 2.496 1.00 . B B . 14 HIS CA 1 1
1 482 2 1 15 HIS CB C 4.249 4.122 3.073 1.00 . B B . 14 HIS CB 1 1
1 483 2 1 15 HIS CD2 C 2.581 2.424 2.151 1.00 . B B . 14 HIS CD2 1 1
1 484 2 1 15 HIS CE1 C 2.378 1.104 3.885 1.00 . B B . 14 HIS CE1 1 1
1 485 2 1 15 HIS CG C 3.377 2.905 3.149 1.00 . B B . 14 HIS CG 1 1
1 486 2 1 15 HIS H H 5.552 2.454 0.842 1.00 . B B . 14 HIS H 1 1
1 487 2 1 15 HIS HA H 6.217 4.725 2.530 1.00 . B B . 14 HIS HA 1 1
1 488 2 1 15 HIS HB2 H 4.377 4.529 4.074 1.00 . B B . 14 HIS HB2 1 1
1 489 2 1 15 HIS HB3 H 3.752 4.879 2.465 1.00 . B B . 14 HIS HB3 1 1
1 490 2 1 15 HIS HD1 H 3.705 2.174 5.124 1.00 . B B . 14 HIS HD1 1 1
1 491 2 1 15 HIS HD2 H 2.456 2.850 1.167 1.00 . B B . 14 HIS HD2 1 1
1 492 2 1 15 HIS HE1 H 2.033 0.312 4.531 1.00 . B B . 14 HIS HE1 1 1
1 493 2 1 15 HIS N N 5.485 3.436 1.096 1.00 . B B . 14 HIS N 1 1
1 494 2 1 15 HIS ND1 N 3.252 2.062 4.228 1.00 . B B . 14 HIS ND1 1 1
1 495 2 1 15 HIS NE2 N 1.954 1.275 2.633 1.00 . B B . 14 HIS NE2 1 1
1 496 2 1 15 HIS O O 6.416 2.884 4.555 1.00 . B B . 14 HIS O 1 1
1 497 2 1 16 GLN C C 9.376 1.311 2.907 1.00 . B B . 15 GLN C 1 1
1 498 2 1 16 GLN CA C 7.954 0.891 3.250 1.00 . B B . 15 GLN CA 1 1
1 499 2 1 16 GLN CB C 7.722 -0.518 2.725 1.00 . B B . 15 GLN CB 1 1
1 500 2 1 16 GLN CD C 6.198 -2.524 2.609 1.00 . B B . 15 GLN CD 1 1
1 501 2 1 16 GLN CG C 6.361 -1.093 3.116 1.00 . B B . 15 GLN CG 1 1
1 502 2 1 16 GLN H H 6.919 1.728 1.676 1.00 . B B . 15 GLN H 1 1
1 503 2 1 16 GLN HA H 7.820 0.900 4.320 1.00 . B B . 15 GLN HA 1 1
1 504 2 1 16 GLN HB2 H 7.826 -0.509 1.644 1.00 . B B . 15 GLN HB2 1 1
1 505 2 1 16 GLN HB3 H 8.496 -1.163 3.132 1.00 . B B . 15 GLN HB3 1 1
1 506 2 1 16 GLN HE21 H 4.215 -2.493 3.019 1.00 . B B . 15 GLN HE21 1 1
1 507 2 1 16 GLN HE22 H 4.836 -3.995 2.355 1.00 . B B . 15 GLN HE22 1 1
1 508 2 1 16 GLN HG2 H 6.277 -1.079 4.199 1.00 . B B . 15 GLN HG2 1 1
1 509 2 1 16 GLN HG3 H 5.555 -0.476 2.718 1.00 . B B . 15 GLN HG3 1 1
1 510 2 1 16 GLN N N 7.006 1.801 2.668 1.00 . B B . 15 GLN N 1 1
1 511 2 1 16 GLN NE2 N 4.983 -3.046 2.673 1.00 . B B . 15 GLN NE2 1 1
1 512 2 1 16 GLN O O 9.625 2.037 1.942 1.00 . B B . 15 GLN O 1 1
1 513 2 1 16 GLN OE1 O 7.142 -3.157 2.148 1.00 . B B . 15 GLN OE1 1 1
1 514 2 1 17 LYS C C 12.521 -0.289 3.802 1.00 . B B . 16 LYS C 1 1
1 515 2 1 17 LYS CA C 11.739 1.003 3.556 1.00 . B B . 16 LYS CA 1 1
1 516 2 1 17 LYS CB C 12.184 2.112 4.521 1.00 . B B . 16 LYS CB 1 1
1 517 2 1 17 LYS CD C 12.139 4.599 4.949 1.00 . B B . 16 LYS CD 1 1
1 518 2 1 17 LYS CE C 11.513 5.889 4.460 1.00 . B B . 16 LYS CE 1 1
1 519 2 1 17 LYS CG C 11.510 3.446 4.177 1.00 . B B . 16 LYS CG 1 1
1 520 2 1 17 LYS H H 10.010 0.164 4.438 1.00 . B B . 16 LYS H 1 1
1 521 2 1 17 LYS HA H 11.951 1.328 2.537 1.00 . B B . 16 LYS HA 1 1
1 522 2 1 17 LYS HB2 H 11.941 1.830 5.546 1.00 . B B . 16 LYS HB2 1 1
1 523 2 1 17 LYS HB3 H 13.263 2.234 4.436 1.00 . B B . 16 LYS HB3 1 1
1 524 2 1 17 LYS HD2 H 11.974 4.479 6.020 1.00 . B B . 16 LYS HD2 1 1
1 525 2 1 17 LYS HD3 H 13.202 4.640 4.729 1.00 . B B . 16 LYS HD3 1 1
1 526 2 1 17 LYS HE2 H 11.676 5.962 3.385 1.00 . B B . 16 LYS HE2 1 1
1 527 2 1 17 LYS HE3 H 10.443 5.879 4.663 1.00 . B B . 16 LYS HE3 1 1
1 528 2 1 17 LYS HG2 H 11.624 3.638 3.109 1.00 . B B . 16 LYS HG2 1 1
1 529 2 1 17 LYS HG3 H 10.448 3.399 4.421 1.00 . B B . 16 LYS HG3 1 1
1 530 2 1 17 LYS HZ1 H 11.726 7.894 4.729 1.00 . B B . 16 LYS HZ1 1 1
1 531 2 1 17 LYS HZ2 H 11.911 7.011 6.109 1.00 . B B . 16 LYS HZ2 1 1
1 532 2 1 17 LYS HZ3 H 13.116 7.024 4.986 1.00 . B B . 16 LYS HZ3 1 1
1 533 2 1 17 LYS N N 10.310 0.776 3.694 1.00 . B B . 16 LYS N 1 1
1 534 2 1 17 LYS NZ N 12.115 7.046 5.120 1.00 . B B . 16 LYS NZ 1 1
1 535 2 1 17 LYS O O 12.005 -1.277 4.321 1.00 . B B . 16 LYS O 1 1
1 536 2 1 18 NH2 HN1 H 14.377 -1.087 3.566 1.00 . B B . 17 NH2 HN1 1 1
1 537 2 1 18 NH2 HN2 H 14.189 0.563 3.019 1.00 . B B . 17 NH2 HN2 1 1
1 538 2 1 18 NH2 N N 13.797 -0.271 3.434 1.00 . B B . 17 NH2 N 1 1
1 539 3 2 1 ZN ZN ZN 0.635 0.115 1.636 1.00 . C A . 101 ZN ZN 1 1
2 540 1 1 1 ACE C C -13.034 -3.932 -2.525 1.00 . A A . 0 ACE C 1 1
2 541 1 1 1 ACE CH3 C -11.545 -3.859 -2.813 1.00 . A A . 0 ACE CH3 1 1
2 542 1 1 1 ACE H1 H -11.365 -3.131 -3.600 1.00 . A A . 0 ACE H1 1 1
2 543 1 1 1 ACE H2 H -10.995 -3.567 -1.919 1.00 . A A . 0 ACE H2 1 1
2 544 1 1 1 ACE H3 H -11.204 -4.837 -3.146 1.00 . A A . 0 ACE H3 1 1
2 545 1 1 1 ACE O O -13.840 -3.667 -3.408 1.00 . A A . 0 ACE O 1 1
2 546 1 1 2 ASP C C -15.408 -2.951 -0.817 1.00 . A A . 1 ASP C 1 1
2 547 1 1 2 ASP CA C -14.799 -4.351 -0.876 1.00 . A A . 1 ASP CA 1 1
2 548 1 1 2 ASP CB C -14.884 -5.013 0.498 1.00 . A A . 1 ASP CB 1 1
2 549 1 1 2 ASP CG C -16.289 -5.519 0.755 1.00 . A A . 1 ASP CG 1 1
2 550 1 1 2 ASP H H -12.708 -4.513 -0.611 1.00 . A A . 1 ASP H 1 1
2 551 1 1 2 ASP HA H -15.346 -4.961 -1.594 1.00 . A A . 1 ASP HA 1 1
2 552 1 1 2 ASP HB2 H -14.190 -5.852 0.546 1.00 . A A . 1 ASP HB2 1 1
2 553 1 1 2 ASP HB3 H -14.622 -4.289 1.267 1.00 . A A . 1 ASP HB3 1 1
2 554 1 1 2 ASP N N -13.411 -4.287 -1.297 1.00 . A A . 1 ASP N 1 1
2 555 1 1 2 ASP O O -14.712 -1.991 -0.506 1.00 . A A . 1 ASP O 1 1
2 556 1 1 2 ASP OD1 O -17.174 -4.707 1.045 1.00 . A A . 1 ASP OD1 1 1
2 557 1 1 2 ASP OD2 O -16.476 -6.748 0.623 1.00 . A A . 1 ASP OD2 1 1
2 558 1 1 3 ALA C C -17.296 -0.926 0.360 1.00 . A A . 2 ALA C 1 1
2 559 1 1 3 ALA CA C -17.503 -1.639 -0.974 1.00 . A A . 2 ALA CA 1 1
2 560 1 1 3 ALA CB C -18.977 -2.003 -1.156 1.00 . A A . 2 ALA CB 1 1
2 561 1 1 3 ALA H H -17.218 -3.705 -1.295 1.00 . A A . 2 ALA H 1 1
2 562 1 1 3 ALA HA H -17.199 -0.970 -1.776 1.00 . A A . 2 ALA HA 1 1
2 563 1 1 3 ALA HB1 H -19.129 -2.456 -2.134 1.00 . A A . 2 ALA HB1 1 1
2 564 1 1 3 ALA HB2 H -19.288 -2.699 -0.376 1.00 . A A . 2 ALA HB2 1 1
2 565 1 1 3 ALA HB3 H -19.581 -1.104 -1.080 1.00 . A A . 2 ALA HB3 1 1
2 566 1 1 3 ALA N N -16.719 -2.861 -1.061 1.00 . A A . 2 ALA N 1 1
2 567 1 1 3 ALA O O -17.033 0.273 0.365 1.00 . A A . 2 ALA O 1 1
2 568 1 1 4 GLU C C -15.814 -0.656 3.164 1.00 . A A . 3 GLU C 1 1
2 569 1 1 4 GLU CA C -17.227 -1.111 2.815 1.00 . A A . 3 GLU CA 1 1
2 570 1 1 4 GLU CB C -17.705 -2.129 3.846 1.00 . A A . 3 GLU CB 1 1
2 571 1 1 4 GLU CD C -17.440 -4.477 4.679 1.00 . A A . 3 GLU CD 1 1
2 572 1 1 4 GLU CG C -16.749 -3.316 3.995 1.00 . A A . 3 GLU CG 1 1
2 573 1 1 4 GLU H H -17.505 -2.660 1.393 1.00 . A A . 3 GLU H 1 1
2 574 1 1 4 GLU HA H -17.880 -0.243 2.879 1.00 . A A . 3 GLU HA 1 1
2 575 1 1 4 GLU HB2 H -17.782 -1.635 4.813 1.00 . A A . 3 GLU HB2 1 1
2 576 1 1 4 GLU HB3 H -18.694 -2.475 3.560 1.00 . A A . 3 GLU HB3 1 1
2 577 1 1 4 GLU HG2 H -16.380 -3.624 3.024 1.00 . A A . 3 GLU HG2 1 1
2 578 1 1 4 GLU HG3 H -15.896 -3.014 4.595 1.00 . A A . 3 GLU HG3 1 1
2 579 1 1 4 GLU N N -17.355 -1.664 1.474 1.00 . A A . 3 GLU N 1 1
2 580 1 1 4 GLU O O -15.658 0.022 4.168 1.00 . A A . 3 GLU O 1 1
2 581 1 1 4 GLU OE1 O -18.023 -4.257 5.747 1.00 . A A . 3 GLU OE1 1 1
2 582 1 1 4 GLU OE2 O -17.392 -5.595 4.113 1.00 . A A . 3 GLU OE2 1 1
2 583 1 1 5 PHE C C -13.042 0.505 1.525 1.00 . A A . 4 PHE C 1 1
2 584 1 1 5 PHE CA C -13.436 -0.518 2.576 1.00 . A A . 4 PHE CA 1 1
2 585 1 1 5 PHE CB C -12.454 -1.682 2.617 1.00 . A A . 4 PHE CB 1 1
2 586 1 1 5 PHE CD1 C -13.224 -2.379 4.940 1.00 . A A . 4 PHE CD1 1 1
2 587 1 1 5 PHE CD2 C -12.762 -4.090 3.273 1.00 . A A . 4 PHE CD2 1 1
2 588 1 1 5 PHE CE1 C -13.566 -3.378 5.867 1.00 . A A . 4 PHE CE1 1 1
2 589 1 1 5 PHE CE2 C -13.119 -5.089 4.191 1.00 . A A . 4 PHE CE2 1 1
2 590 1 1 5 PHE CG C -12.819 -2.738 3.638 1.00 . A A . 4 PHE CG 1 1
2 591 1 1 5 PHE CZ C -13.520 -4.733 5.490 1.00 . A A . 4 PHE CZ 1 1
2 592 1 1 5 PHE H H -14.958 -1.671 1.631 1.00 . A A . 4 PHE H 1 1
2 593 1 1 5 PHE HA H -13.371 -0.001 3.530 1.00 . A A . 4 PHE HA 1 1
2 594 1 1 5 PHE HB2 H -12.408 -2.134 1.625 1.00 . A A . 4 PHE HB2 1 1
2 595 1 1 5 PHE HB3 H -11.466 -1.296 2.866 1.00 . A A . 4 PHE HB3 1 1
2 596 1 1 5 PHE HD1 H -13.269 -1.338 5.231 1.00 . A A . 4 PHE HD1 1 1
2 597 1 1 5 PHE HD2 H -12.463 -4.354 2.273 1.00 . A A . 4 PHE HD2 1 1
2 598 1 1 5 PHE HE1 H -13.887 -3.102 6.859 1.00 . A A . 4 PHE HE1 1 1
2 599 1 1 5 PHE HE2 H -13.094 -6.124 3.890 1.00 . A A . 4 PHE HE2 1 1
2 600 1 1 5 PHE HZ H -13.807 -5.498 6.196 1.00 . A A . 4 PHE HZ 1 1
2 601 1 1 5 PHE N N -14.792 -1.021 2.385 1.00 . A A . 4 PHE N 1 1
2 602 1 1 5 PHE O O -12.182 1.325 1.819 1.00 . A A . 4 PHE O 1 1
2 603 1 1 6 ARG C C -14.348 2.824 -0.143 1.00 . A A . 5 ARG C 1 1
2 604 1 1 6 ARG CA C -13.573 1.592 -0.627 1.00 . A A . 5 ARG CA 1 1
2 605 1 1 6 ARG CB C -14.045 1.096 -2.007 1.00 . A A . 5 ARG CB 1 1
2 606 1 1 6 ARG CD C -11.642 0.282 -2.616 1.00 . A A . 5 ARG CD 1 1
2 607 1 1 6 ARG CG C -13.155 0.046 -2.698 1.00 . A A . 5 ARG CG 1 1
2 608 1 1 6 ARG CZ C -10.066 1.979 -3.576 1.00 . A A . 5 ARG CZ 1 1
2 609 1 1 6 ARG H H -14.405 -0.170 0.182 1.00 . A A . 5 ARG H 1 1
2 610 1 1 6 ARG HA H -12.525 1.880 -0.695 1.00 . A A . 5 ARG HA 1 1
2 611 1 1 6 ARG HB2 H -15.051 0.687 -1.903 1.00 . A A . 5 ARG HB2 1 1
2 612 1 1 6 ARG HB3 H -14.109 1.955 -2.671 1.00 . A A . 5 ARG HB3 1 1
2 613 1 1 6 ARG HD2 H -11.321 0.136 -1.590 1.00 . A A . 5 ARG HD2 1 1
2 614 1 1 6 ARG HD3 H -11.144 -0.470 -3.223 1.00 . A A . 5 ARG HD3 1 1
2 615 1 1 6 ARG HE H -11.920 2.367 -2.880 1.00 . A A . 5 ARG HE 1 1
2 616 1 1 6 ARG HG2 H -13.350 -0.930 -2.266 1.00 . A A . 5 ARG HG2 1 1
2 617 1 1 6 ARG HG3 H -13.445 0.000 -3.747 1.00 . A A . 5 ARG HG3 1 1
2 618 1 1 6 ARG HH11 H -9.300 0.094 -3.695 1.00 . A A . 5 ARG HH11 1 1
2 619 1 1 6 ARG HH12 H -8.249 1.374 -4.253 1.00 . A A . 5 ARG HH12 1 1
2 620 1 1 6 ARG HH21 H -10.500 3.968 -3.610 1.00 . A A . 5 ARG HH21 1 1
2 621 1 1 6 ARG HH22 H -8.922 3.535 -4.223 1.00 . A A . 5 ARG HH22 1 1
2 622 1 1 6 ARG N N -13.701 0.532 0.360 1.00 . A A . 5 ARG N 1 1
2 623 1 1 6 ARG NE N -11.249 1.631 -3.051 1.00 . A A . 5 ARG NE 1 1
2 624 1 1 6 ARG NH1 N -9.128 1.075 -3.858 1.00 . A A . 5 ARG NH1 1 1
2 625 1 1 6 ARG NH2 N -9.811 3.263 -3.827 1.00 . A A . 5 ARG NH2 1 1
2 626 1 1 6 ARG O O -15.332 3.235 -0.752 1.00 . A A . 5 ARG O 1 1
2 627 1 1 7 ARG C C -13.662 5.787 1.338 1.00 . A A . 6 ARG C 1 1
2 628 1 1 7 ARG CA C -14.437 4.522 1.697 1.00 . A A . 6 ARG CA 1 1
2 629 1 1 7 ARG CB C -14.326 4.270 3.209 1.00 . A A . 6 ARG CB 1 1
2 630 1 1 7 ARG CD C -16.488 2.911 3.614 1.00 . A A . 6 ARG CD 1 1
2 631 1 1 7 ARG CG C -14.963 2.964 3.706 1.00 . A A . 6 ARG CG 1 1
2 632 1 1 7 ARG CZ C -17.886 3.302 1.575 1.00 . A A . 6 ARG CZ 1 1
2 633 1 1 7 ARG H H -13.111 2.931 1.435 1.00 . A A . 6 ARG H 1 1
2 634 1 1 7 ARG HA H -15.481 4.643 1.433 1.00 . A A . 6 ARG HA 1 1
2 635 1 1 7 ARG HB2 H -13.271 4.231 3.471 1.00 . A A . 6 ARG HB2 1 1
2 636 1 1 7 ARG HB3 H -14.763 5.108 3.751 1.00 . A A . 6 ARG HB3 1 1
2 637 1 1 7 ARG HD2 H -16.859 2.142 4.290 1.00 . A A . 6 ARG HD2 1 1
2 638 1 1 7 ARG HD3 H -16.888 3.853 3.958 1.00 . A A . 6 ARG HD3 1 1
2 639 1 1 7 ARG HE H -16.661 1.725 1.863 1.00 . A A . 6 ARG HE 1 1
2 640 1 1 7 ARG HG2 H -14.540 2.125 3.165 1.00 . A A . 6 ARG HG2 1 1
2 641 1 1 7 ARG HG3 H -14.692 2.845 4.753 1.00 . A A . 6 ARG HG3 1 1
2 642 1 1 7 ARG HH11 H -18.038 4.853 2.889 1.00 . A A . 6 ARG HH11 1 1
2 643 1 1 7 ARG HH12 H -19.038 4.976 1.457 1.00 . A A . 6 ARG HH12 1 1
2 644 1 1 7 ARG HH21 H -17.983 1.958 0.048 1.00 . A A . 6 ARG HH21 1 1
2 645 1 1 7 ARG HH22 H -19.013 3.361 -0.115 1.00 . A A . 6 ARG HH22 1 1
2 646 1 1 7 ARG N N -13.889 3.385 0.981 1.00 . A A . 6 ARG N 1 1
2 647 1 1 7 ARG NE N -16.979 2.596 2.266 1.00 . A A . 6 ARG NE 1 1
2 648 1 1 7 ARG NH1 N -18.364 4.469 2.015 1.00 . A A . 6 ARG NH1 1 1
2 649 1 1 7 ARG NH2 N -18.329 2.835 0.410 1.00 . A A . 6 ARG NH2 1 1
2 650 1 1 7 ARG O O -12.478 5.726 1.012 1.00 . A A . 6 ARG O 1 1
2 651 1 1 8 ASP C C -12.675 8.527 2.446 1.00 . A A . 7 ASP C 1 1
2 652 1 1 8 ASP CA C -13.709 8.260 1.344 1.00 . A A . 7 ASP CA 1 1
2 653 1 1 8 ASP CB C -14.807 9.337 1.344 1.00 . A A . 7 ASP CB 1 1
2 654 1 1 8 ASP CG C -15.621 9.457 2.637 1.00 . A A . 7 ASP CG 1 1
2 655 1 1 8 ASP H H -15.293 6.913 1.747 1.00 . A A . 7 ASP H 1 1
2 656 1 1 8 ASP HA H -13.199 8.309 0.385 1.00 . A A . 7 ASP HA 1 1
2 657 1 1 8 ASP HB2 H -14.334 10.298 1.145 1.00 . A A . 7 ASP HB2 1 1
2 658 1 1 8 ASP HB3 H -15.497 9.129 0.532 1.00 . A A . 7 ASP HB3 1 1
2 659 1 1 8 ASP N N -14.323 6.940 1.467 1.00 . A A . 7 ASP N 1 1
2 660 1 1 8 ASP O O -11.608 9.064 2.165 1.00 . A A . 7 ASP O 1 1
2 661 1 1 8 ASP OD1 O -15.873 8.418 3.287 1.00 . A A . 7 ASP OD1 1 1
2 662 1 1 8 ASP OD2 O -16.014 10.583 2.970 1.00 . A A . 7 ASP OD2 1 1
2 663 1 1 9 SER C C -11.058 7.443 5.078 1.00 . A A . 8 SER C 1 1
2 664 1 1 9 SER CA C -12.204 8.439 4.880 1.00 . A A . 8 SER CA 1 1
2 665 1 1 9 SER CB C -13.148 8.494 6.087 1.00 . A A . 8 SER CB 1 1
2 666 1 1 9 SER H H -13.913 7.785 3.839 1.00 . A A . 8 SER H 1 1
2 667 1 1 9 SER HA H -11.764 9.426 4.759 1.00 . A A . 8 SER HA 1 1
2 668 1 1 9 SER HB2 H -13.663 7.541 6.206 1.00 . A A . 8 SER HB2 1 1
2 669 1 1 9 SER HB3 H -12.578 8.704 6.990 1.00 . A A . 8 SER HB3 1 1
2 670 1 1 9 SER HG H -14.647 9.575 6.688 1.00 . A A . 8 SER HG 1 1
2 671 1 1 9 SER N N -12.984 8.143 3.688 1.00 . A A . 8 SER N 1 1
2 672 1 1 9 SER O O -11.057 6.664 6.023 1.00 . A A . 8 SER O 1 1
2 673 1 1 9 SER OG O -14.098 9.517 5.898 1.00 . A A . 8 SER OG 1 1
2 674 1 1 10 GLY C C -7.938 7.132 3.171 1.00 . A A . 9 GLY C 1 1
2 675 1 1 10 GLY CA C -8.852 6.681 4.303 1.00 . A A . 9 GLY CA 1 1
2 676 1 1 10 GLY H H -10.098 8.087 3.394 1.00 . A A . 9 GLY H 1 1
2 677 1 1 10 GLY HA2 H -8.376 6.837 5.271 1.00 . A A . 9 GLY HA2 1 1
2 678 1 1 10 GLY HA3 H -9.110 5.627 4.233 1.00 . A A . 9 GLY HA3 1 1
2 679 1 1 10 GLY N N -10.062 7.468 4.193 1.00 . A A . 9 GLY N 1 1
2 680 1 1 10 GLY O O -7.841 8.317 2.878 1.00 . A A . 9 GLY O 1 1
2 681 1 1 11 TYR C C -6.078 4.331 1.672 1.00 . A A . 10 TYR C 1 1
2 682 1 1 11 TYR CA C -7.190 4.816 2.588 1.00 . A A . 10 TYR CA 1 1
2 683 1 1 11 TYR CB C -8.506 4.177 2.128 1.00 . A A . 10 TYR CB 1 1
2 684 1 1 11 TYR CD1 C -8.370 2.155 3.672 1.00 . A A . 10 TYR CD1 1 1
2 685 1 1 11 TYR CD2 C -10.483 3.333 3.408 1.00 . A A . 10 TYR CD2 1 1
2 686 1 1 11 TYR CE1 C -8.978 1.240 4.546 1.00 . A A . 10 TYR CE1 1 1
2 687 1 1 11 TYR CE2 C -11.097 2.426 4.279 1.00 . A A . 10 TYR CE2 1 1
2 688 1 1 11 TYR CG C -9.124 3.197 3.097 1.00 . A A . 10 TYR CG 1 1
2 689 1 1 11 TYR CZ C -10.357 1.364 4.834 1.00 . A A . 10 TYR CZ 1 1
2 690 1 1 11 TYR H H -6.845 6.608 1.619 1.00 . A A . 10 TYR H 1 1
2 691 1 1 11 TYR HA H -6.978 4.552 3.624 1.00 . A A . 10 TYR HA 1 1
2 692 1 1 11 TYR HB2 H -9.237 4.957 1.923 1.00 . A A . 10 TYR HB2 1 1
2 693 1 1 11 TYR HB3 H -8.343 3.666 1.183 1.00 . A A . 10 TYR HB3 1 1
2 694 1 1 11 TYR HD1 H -7.327 2.042 3.440 1.00 . A A . 10 TYR HD1 1 1
2 695 1 1 11 TYR HD2 H -11.056 4.135 2.970 1.00 . A A . 10 TYR HD2 1 1
2 696 1 1 11 TYR HE1 H -8.385 0.459 4.992 1.00 . A A . 10 TYR HE1 1 1
2 697 1 1 11 TYR HE2 H -12.137 2.538 4.527 1.00 . A A . 10 TYR HE2 1 1
2 698 1 1 11 TYR HH H -10.395 -0.169 6.033 1.00 . A A . 10 TYR HH 1 1
2 699 1 1 11 TYR N N -7.258 6.249 2.458 1.00 . A A . 10 TYR N 1 1
2 700 1 1 11 TYR O O -5.799 4.930 0.637 1.00 . A A . 10 TYR O 1 1
2 701 1 1 11 TYR OH O -10.988 0.492 5.665 1.00 . A A . 10 TYR OH 1 1
2 702 1 1 12 GLU C C -5.534 0.867 1.482 1.00 . A A . 11 GLU C 1 1
2 703 1 1 12 GLU CA C -5.036 2.235 1.029 1.00 . A A . 11 GLU CA 1 1
2 704 1 1 12 GLU CB C -3.523 2.338 0.984 1.00 . A A . 11 GLU CB 1 1
2 705 1 1 12 GLU CD C -1.571 1.103 0.031 1.00 . A A . 11 GLU CD 1 1
2 706 1 1 12 GLU CG C -2.979 1.595 -0.238 1.00 . A A . 11 GLU CG 1 1
2 707 1 1 12 GLU H H -5.733 2.783 2.910 1.00 . A A . 11 GLU H 1 1
2 708 1 1 12 GLU HA H -5.440 2.472 0.047 1.00 . A A . 11 GLU HA 1 1
2 709 1 1 12 GLU HB2 H -3.226 3.385 0.934 1.00 . A A . 11 GLU HB2 1 1
2 710 1 1 12 GLU HB3 H -3.125 1.909 1.898 1.00 . A A . 11 GLU HB3 1 1
2 711 1 1 12 GLU HG2 H -3.610 0.735 -0.460 1.00 . A A . 11 GLU HG2 1 1
2 712 1 1 12 GLU HG3 H -2.982 2.264 -1.096 1.00 . A A . 11 GLU HG3 1 1
2 713 1 1 12 GLU N N -5.546 3.164 1.997 1.00 . A A . 11 GLU N 1 1
2 714 1 1 12 GLU O O -5.012 0.269 2.426 1.00 . A A . 11 GLU O 1 1
2 715 1 1 12 GLU OE1 O -0.827 1.801 0.734 1.00 . A A . 11 GLU OE1 1 1
2 716 1 1 12 GLU OE2 O -1.249 -0.013 -0.419 1.00 . A A . 11 GLU OE2 1 1
2 717 1 1 13 VAL C C -6.682 -2.034 1.206 1.00 . A A . 12 VAL C 1 1
2 718 1 1 13 VAL CA C -7.433 -0.706 1.225 1.00 . A A . 12 VAL CA 1 1
2 719 1 1 13 VAL CB C -8.713 -0.702 0.364 1.00 . A A . 12 VAL CB 1 1
2 720 1 1 13 VAL CG1 C -9.550 -1.988 0.432 1.00 . A A . 12 VAL CG1 1 1
2 721 1 1 13 VAL CG2 C -9.583 0.443 0.879 1.00 . A A . 12 VAL CG2 1 1
2 722 1 1 13 VAL H H -6.962 0.983 0.064 1.00 . A A . 12 VAL H 1 1
2 723 1 1 13 VAL HA H -7.730 -0.536 2.255 1.00 . A A . 12 VAL HA 1 1
2 724 1 1 13 VAL HB H -8.459 -0.515 -0.679 1.00 . A A . 12 VAL HB 1 1
2 725 1 1 13 VAL HG11 H -9.013 -2.806 -0.044 1.00 . A A . 12 VAL HG11 1 1
2 726 1 1 13 VAL HG12 H -9.749 -2.246 1.472 1.00 . A A . 12 VAL HG12 1 1
2 727 1 1 13 VAL HG13 H -10.494 -1.846 -0.093 1.00 . A A . 12 VAL HG13 1 1
2 728 1 1 13 VAL HG21 H -9.048 1.387 0.835 1.00 . A A . 12 VAL HG21 1 1
2 729 1 1 13 VAL HG22 H -10.463 0.522 0.253 1.00 . A A . 12 VAL HG22 1 1
2 730 1 1 13 VAL HG23 H -9.868 0.241 1.911 1.00 . A A . 12 VAL HG23 1 1
2 731 1 1 13 VAL N N -6.604 0.421 0.822 1.00 . A A . 12 VAL N 1 1
2 732 1 1 13 VAL O O -7.137 -2.976 1.848 1.00 . A A . 12 VAL O 1 1
2 733 1 1 14 HIS C C -4.303 -3.765 1.981 1.00 . A A . 13 HIS C 1 1
2 734 1 1 14 HIS CA C -4.699 -3.309 0.571 1.00 . A A . 13 HIS CA 1 1
2 735 1 1 14 HIS CB C -3.392 -3.097 -0.190 1.00 . A A . 13 HIS CB 1 1
2 736 1 1 14 HIS CD2 C -4.272 -3.161 -2.599 1.00 . A A . 13 HIS CD2 1 1
2 737 1 1 14 HIS CE1 C -3.118 -1.515 -3.466 1.00 . A A . 13 HIS CE1 1 1
2 738 1 1 14 HIS CG C -3.510 -2.617 -1.608 1.00 . A A . 13 HIS CG 1 1
2 739 1 1 14 HIS H H -5.178 -1.311 0.034 1.00 . A A . 13 HIS H 1 1
2 740 1 1 14 HIS HA H -5.303 -4.075 0.095 1.00 . A A . 13 HIS HA 1 1
2 741 1 1 14 HIS HB2 H -2.769 -2.393 0.363 1.00 . A A . 13 HIS HB2 1 1
2 742 1 1 14 HIS HB3 H -2.878 -4.056 -0.200 1.00 . A A . 13 HIS HB3 1 1
2 743 1 1 14 HIS HD1 H -2.108 -1.020 -1.697 1.00 . A A . 13 HIS HD1 1 1
2 744 1 1 14 HIS HD2 H -4.935 -4.004 -2.491 1.00 . A A . 13 HIS HD2 1 1
2 745 1 1 14 HIS HE1 H -2.712 -0.788 -4.153 1.00 . A A . 13 HIS HE1 1 1
2 746 1 1 14 HIS N N -5.510 -2.106 0.560 1.00 . A A . 13 HIS N 1 1
2 747 1 1 14 HIS ND1 N -2.786 -1.598 -2.173 1.00 . A A . 13 HIS ND1 1 1
2 748 1 1 14 HIS NE2 N -4.024 -2.456 -3.777 1.00 . A A . 13 HIS NE2 1 1
2 749 1 1 14 HIS O O -4.014 -4.941 2.173 1.00 . A A . 13 HIS O 1 1
2 750 1 1 15 HIS C C -4.993 -3.305 5.284 1.00 . A A . 14 HIS C 1 1
2 751 1 1 15 HIS CA C -3.822 -3.121 4.314 1.00 . A A . 14 HIS CA 1 1
2 752 1 1 15 HIS CB C -2.890 -1.991 4.760 1.00 . A A . 14 HIS CB 1 1
2 753 1 1 15 HIS CD2 C -1.476 -0.851 2.960 1.00 . A A . 14 HIS CD2 1 1
2 754 1 1 15 HIS CE1 C 0.024 -2.406 2.608 1.00 . A A . 14 HIS CE1 1 1
2 755 1 1 15 HIS CG C -1.706 -1.864 3.845 1.00 . A A . 14 HIS CG 1 1
2 756 1 1 15 HIS H H -4.500 -1.890 2.724 1.00 . A A . 14 HIS H 1 1
2 757 1 1 15 HIS HA H -3.247 -4.049 4.321 1.00 . A A . 14 HIS HA 1 1
2 758 1 1 15 HIS HB2 H -3.444 -1.050 4.776 1.00 . A A . 14 HIS HB2 1 1
2 759 1 1 15 HIS HB3 H -2.522 -2.194 5.763 1.00 . A A . 14 HIS HB3 1 1
2 760 1 1 15 HIS HD1 H -0.700 -3.728 4.067 1.00 . A A . 14 HIS HD1 1 1
2 761 1 1 15 HIS HD2 H -2.084 0.032 2.848 1.00 . A A . 14 HIS HD2 1 1
2 762 1 1 15 HIS HE1 H 0.838 -2.968 2.179 1.00 . A A . 14 HIS HE1 1 1
2 763 1 1 15 HIS N N -4.260 -2.846 2.951 1.00 . A A . 14 HIS N 1 1
2 764 1 1 15 HIS ND1 N -0.750 -2.823 3.619 1.00 . A A . 14 HIS ND1 1 1
2 765 1 1 15 HIS NE2 N -0.377 -1.205 2.176 1.00 . A A . 14 HIS NE2 1 1
2 766 1 1 15 HIS O O -4.762 -3.404 6.485 1.00 . A A . 14 HIS O 1 1
2 767 1 1 16 GLN C C -7.553 -4.990 6.033 1.00 . A A . 15 GLN C 1 1
2 768 1 1 16 GLN CA C -7.401 -3.521 5.649 1.00 . A A . 15 GLN CA 1 1
2 769 1 1 16 GLN CB C -8.624 -2.946 4.943 1.00 . A A . 15 GLN CB 1 1
2 770 1 1 16 GLN CD C -9.860 -2.495 7.127 1.00 . A A . 15 GLN CD 1 1
2 771 1 1 16 GLN CG C -9.911 -3.135 5.744 1.00 . A A . 15 GLN CG 1 1
2 772 1 1 16 GLN H H -6.416 -3.236 3.819 1.00 . A A . 15 GLN H 1 1
2 773 1 1 16 GLN HA H -7.250 -2.943 6.553 1.00 . A A . 15 GLN HA 1 1
2 774 1 1 16 GLN HB2 H -8.462 -1.884 4.767 1.00 . A A . 15 GLN HB2 1 1
2 775 1 1 16 GLN HB3 H -8.741 -3.430 3.980 1.00 . A A . 15 GLN HB3 1 1
2 776 1 1 16 GLN HE21 H -10.231 -4.251 8.074 1.00 . A A . 15 GLN HE21 1 1
2 777 1 1 16 GLN HE22 H -10.033 -2.859 9.116 1.00 . A A . 15 GLN HE22 1 1
2 778 1 1 16 GLN HG2 H -10.697 -2.656 5.180 1.00 . A A . 15 GLN HG2 1 1
2 779 1 1 16 GLN HG3 H -10.147 -4.196 5.827 1.00 . A A . 15 GLN HG3 1 1
2 780 1 1 16 GLN N N -6.242 -3.343 4.805 1.00 . A A . 15 GLN N 1 1
2 781 1 1 16 GLN NE2 N -10.056 -3.264 8.190 1.00 . A A . 15 GLN NE2 1 1
2 782 1 1 16 GLN O O -7.225 -5.350 7.156 1.00 . A A . 15 GLN O 1 1
2 783 1 1 16 GLN OE1 O -9.632 -1.300 7.242 1.00 . A A . 15 GLN OE1 1 1
2 784 1 1 17 LYS C C -7.222 -8.127 5.567 1.00 . A A . 16 LYS C 1 1
2 785 1 1 17 LYS CA C -8.433 -7.201 5.434 1.00 . A A . 16 LYS CA 1 1
2 786 1 1 17 LYS CB C -9.449 -7.682 4.391 1.00 . A A . 16 LYS CB 1 1
2 787 1 1 17 LYS CD C -11.209 -9.428 3.918 1.00 . A A . 16 LYS CD 1 1
2 788 1 1 17 LYS CE C -11.636 -10.842 4.300 1.00 . A A . 16 LYS CE 1 1
2 789 1 1 17 LYS CG C -9.959 -9.088 4.720 1.00 . A A . 16 LYS CG 1 1
2 790 1 1 17 LYS H H -8.304 -5.475 4.209 1.00 . A A . 16 LYS H 1 1
2 791 1 1 17 LYS HA H -8.933 -7.208 6.400 1.00 . A A . 16 LYS HA 1 1
2 792 1 1 17 LYS HB2 H -10.293 -6.990 4.395 1.00 . A A . 16 LYS HB2 1 1
2 793 1 1 17 LYS HB3 H -8.995 -7.684 3.400 1.00 . A A . 16 LYS HB3 1 1
2 794 1 1 17 LYS HD2 H -11.994 -8.708 4.141 1.00 . A A . 16 LYS HD2 1 1
2 795 1 1 17 LYS HD3 H -11.017 -9.379 2.853 1.00 . A A . 16 LYS HD3 1 1
2 796 1 1 17 LYS HE2 H -10.882 -11.553 3.966 1.00 . A A . 16 LYS HE2 1 1
2 797 1 1 17 LYS HE3 H -11.729 -10.903 5.383 1.00 . A A . 16 LYS HE3 1 1
2 798 1 1 17 LYS HG2 H -9.183 -9.815 4.483 1.00 . A A . 16 LYS HG2 1 1
2 799 1 1 17 LYS HG3 H -10.200 -9.151 5.783 1.00 . A A . 16 LYS HG3 1 1
2 800 1 1 17 LYS HZ1 H -13.632 -10.532 4.034 1.00 . A A . 16 LYS HZ1 1 1
2 801 1 1 17 LYS HZ2 H -12.863 -11.094 2.691 1.00 . A A . 16 LYS HZ2 1 1
2 802 1 1 17 LYS HZ3 H -13.192 -12.115 3.939 1.00 . A A . 16 LYS HZ3 1 1
2 803 1 1 17 LYS N N -8.064 -5.828 5.124 1.00 . A A . 16 LYS N 1 1
2 804 1 1 17 LYS NZ N -12.926 -11.171 3.695 1.00 . A A . 16 LYS NZ 1 1
2 805 1 1 17 LYS O O -7.306 -9.110 6.292 1.00 . A A . 16 LYS O 1 1
2 806 1 1 18 NH2 HN1 H -6.036 -6.971 4.391 1.00 . A A . 17 NH2 HN1 1 1
2 807 1 1 18 NH2 HN2 H -5.281 -8.414 5.028 1.00 . A A . 17 NH2 HN2 1 1
2 808 1 1 18 NH2 N N -6.088 -7.813 4.945 1.00 . A A . 17 NH2 N 1 1
2 809 2 1 1 ACE C C 21.178 5.387 -2.715 1.00 . B B . 0 ACE C 1 1
2 810 2 1 1 ACE CH3 C 22.440 5.696 -3.508 1.00 . B B . 0 ACE CH3 1 1
2 811 2 1 1 ACE H1 H 22.177 6.185 -4.445 1.00 . B B . 0 ACE H1 1 1
2 812 2 1 1 ACE H2 H 23.091 6.346 -2.926 1.00 . B B . 0 ACE H2 1 1
2 813 2 1 1 ACE H3 H 22.971 4.772 -3.731 1.00 . B B . 0 ACE H3 1 1
2 814 2 1 1 ACE O O 21.044 5.837 -1.581 1.00 . B B . 0 ACE O 1 1
2 815 2 1 2 ASP C C 19.001 2.617 -2.518 1.00 . B B . 1 ASP C 1 1
2 816 2 1 2 ASP CA C 19.021 4.128 -2.737 1.00 . B B . 1 ASP CA 1 1
2 817 2 1 2 ASP CB C 17.886 4.426 -3.719 1.00 . B B . 1 ASP CB 1 1
2 818 2 1 2 ASP CG C 17.509 5.891 -3.767 1.00 . B B . 1 ASP CG 1 1
2 819 2 1 2 ASP H H 20.460 4.313 -4.263 1.00 . B B . 1 ASP H 1 1
2 820 2 1 2 ASP HA H 18.829 4.610 -1.779 1.00 . B B . 1 ASP HA 1 1
2 821 2 1 2 ASP HB2 H 18.168 4.075 -4.712 1.00 . B B . 1 ASP HB2 1 1
2 822 2 1 2 ASP HB3 H 17.005 3.880 -3.408 1.00 . B B . 1 ASP HB3 1 1
2 823 2 1 2 ASP N N 20.268 4.617 -3.320 1.00 . B B . 1 ASP N 1 1
2 824 2 1 2 ASP O O 18.123 2.137 -1.806 1.00 . B B . 1 ASP O 1 1
2 825 2 1 2 ASP OD1 O 17.408 6.502 -2.700 1.00 . B B . 1 ASP OD1 1 1
2 826 2 1 2 ASP OD2 O 17.294 6.391 -4.892 1.00 . B B . 1 ASP OD2 1 1
2 827 2 1 3 ALA C C 19.699 -0.271 -1.904 1.00 . B B . 2 ALA C 1 1
2 828 2 1 3 ALA CA C 19.952 0.429 -3.240 1.00 . B B . 2 ALA CA 1 1
2 829 2 1 3 ALA CB C 21.316 0.019 -3.792 1.00 . B B . 2 ALA CB 1 1
2 830 2 1 3 ALA H H 20.579 2.381 -3.736 1.00 . B B . 2 ALA H 1 1
2 831 2 1 3 ALA HA H 19.191 0.105 -3.948 1.00 . B B . 2 ALA HA 1 1
2 832 2 1 3 ALA HB1 H 21.360 -1.065 -3.871 1.00 . B B . 2 ALA HB1 1 1
2 833 2 1 3 ALA HB2 H 21.468 0.456 -4.777 1.00 . B B . 2 ALA HB2 1 1
2 834 2 1 3 ALA HB3 H 22.102 0.359 -3.118 1.00 . B B . 2 ALA HB3 1 1
2 835 2 1 3 ALA N N 19.922 1.884 -3.156 1.00 . B B . 2 ALA N 1 1
2 836 2 1 3 ALA O O 19.003 -1.280 -1.884 1.00 . B B . 2 ALA O 1 1
2 837 2 1 4 GLU C C 18.725 -0.539 1.015 1.00 . B B . 3 GLU C 1 1
2 838 2 1 4 GLU CA C 20.147 -0.249 0.547 1.00 . B B . 3 GLU CA 1 1
2 839 2 1 4 GLU CB C 20.856 0.704 1.513 1.00 . B B . 3 GLU CB 1 1
2 840 2 1 4 GLU CD C 21.041 3.089 2.410 1.00 . B B . 3 GLU CD 1 1
2 841 2 1 4 GLU CG C 20.268 2.126 1.521 1.00 . B B . 3 GLU CG 1 1
2 842 2 1 4 GLU H H 20.746 1.143 -0.921 1.00 . B B . 3 GLU H 1 1
2 843 2 1 4 GLU HA H 20.682 -1.193 0.561 1.00 . B B . 3 GLU HA 1 1
2 844 2 1 4 GLU HB2 H 20.795 0.288 2.518 1.00 . B B . 3 GLU HB2 1 1
2 845 2 1 4 GLU HB3 H 21.907 0.753 1.233 1.00 . B B . 3 GLU HB3 1 1
2 846 2 1 4 GLU HG2 H 20.261 2.526 0.506 1.00 . B B . 3 GLU HG2 1 1
2 847 2 1 4 GLU HG3 H 19.243 2.091 1.880 1.00 . B B . 3 GLU HG3 1 1
2 848 2 1 4 GLU N N 20.221 0.288 -0.806 1.00 . B B . 3 GLU N 1 1
2 849 2 1 4 GLU O O 18.528 -1.526 1.714 1.00 . B B . 3 GLU O 1 1
2 850 2 1 4 GLU OE1 O 21.781 2.619 3.301 1.00 . B B . 3 GLU OE1 1 1
2 851 2 1 4 GLU OE2 O 20.885 4.303 2.216 1.00 . B B . 3 GLU OE2 1 1
2 852 2 1 5 PHE C C 15.593 -0.365 -0.419 1.00 . B B . 4 PHE C 1 1
2 853 2 1 5 PHE CA C 16.335 0.003 0.858 1.00 . B B . 4 PHE CA 1 1
2 854 2 1 5 PHE CB C 15.690 1.210 1.525 1.00 . B B . 4 PHE CB 1 1
2 855 2 1 5 PHE CD1 C 14.149 2.395 -0.085 1.00 . B B . 4 PHE CD1 1 1
2 856 2 1 5 PHE CD2 C 16.351 3.333 0.349 1.00 . B B . 4 PHE CD2 1 1
2 857 2 1 5 PHE CE1 C 13.849 3.478 -0.928 1.00 . B B . 4 PHE CE1 1 1
2 858 2 1 5 PHE CE2 C 16.054 4.409 -0.501 1.00 . B B . 4 PHE CE2 1 1
2 859 2 1 5 PHE CG C 15.386 2.345 0.581 1.00 . B B . 4 PHE CG 1 1
2 860 2 1 5 PHE CZ C 14.803 4.487 -1.138 1.00 . B B . 4 PHE CZ 1 1
2 861 2 1 5 PHE H H 17.970 1.073 0.039 1.00 . B B . 4 PHE H 1 1
2 862 2 1 5 PHE HA H 16.241 -0.836 1.540 1.00 . B B . 4 PHE HA 1 1
2 863 2 1 5 PHE HB2 H 14.760 0.880 1.985 1.00 . B B . 4 PHE HB2 1 1
2 864 2 1 5 PHE HB3 H 16.344 1.568 2.319 1.00 . B B . 4 PHE HB3 1 1
2 865 2 1 5 PHE HD1 H 13.443 1.589 0.053 1.00 . B B . 4 PHE HD1 1 1
2 866 2 1 5 PHE HD2 H 17.321 3.249 0.817 1.00 . B B . 4 PHE HD2 1 1
2 867 2 1 5 PHE HE1 H 12.892 3.531 -1.423 1.00 . B B . 4 PHE HE1 1 1
2 868 2 1 5 PHE HE2 H 16.789 5.176 -0.662 1.00 . B B . 4 PHE HE2 1 1
2 869 2 1 5 PHE HZ H 14.582 5.312 -1.796 1.00 . B B . 4 PHE HZ 1 1
2 870 2 1 5 PHE N N 17.743 0.270 0.610 1.00 . B B . 4 PHE N 1 1
2 871 2 1 5 PHE O O 14.510 -0.927 -0.320 1.00 . B B . 4 PHE O 1 1
2 872 2 1 6 ARG C C 16.143 -2.045 -3.079 1.00 . B B . 5 ARG C 1 1
2 873 2 1 6 ARG CA C 15.647 -0.612 -2.864 1.00 . B B . 5 ARG CA 1 1
2 874 2 1 6 ARG CB C 15.956 0.363 -4.004 1.00 . B B . 5 ARG CB 1 1
2 875 2 1 6 ARG CD C 13.704 1.597 -3.611 1.00 . B B . 5 ARG CD 1 1
2 876 2 1 6 ARG CG C 15.214 1.702 -3.857 1.00 . B B . 5 ARG CG 1 1
2 877 2 1 6 ARG CZ C 12.110 1.289 -5.516 1.00 . B B . 5 ARG CZ 1 1
2 878 2 1 6 ARG H H 17.033 0.405 -1.632 1.00 . B B . 5 ARG H 1 1
2 879 2 1 6 ARG HA H 14.567 -0.690 -2.778 1.00 . B B . 5 ARG HA 1 1
2 880 2 1 6 ARG HB2 H 17.027 0.553 -4.028 1.00 . B B . 5 ARG HB2 1 1
2 881 2 1 6 ARG HB3 H 15.665 -0.092 -4.949 1.00 . B B . 5 ARG HB3 1 1
2 882 2 1 6 ARG HD2 H 13.518 1.128 -2.644 1.00 . B B . 5 ARG HD2 1 1
2 883 2 1 6 ARG HD3 H 13.288 2.599 -3.548 1.00 . B B . 5 ARG HD3 1 1
2 884 2 1 6 ARG HE H 13.137 -0.182 -4.600 1.00 . B B . 5 ARG HE 1 1
2 885 2 1 6 ARG HG2 H 15.638 2.239 -3.012 1.00 . B B . 5 ARG HG2 1 1
2 886 2 1 6 ARG HG3 H 15.384 2.292 -4.756 1.00 . B B . 5 ARG HG3 1 1
2 887 2 1 6 ARG HH11 H 12.439 3.255 -5.131 1.00 . B B . 5 ARG HH11 1 1
2 888 2 1 6 ARG HH12 H 11.217 2.921 -6.336 1.00 . B B . 5 ARG HH12 1 1
2 889 2 1 6 ARG HH21 H 11.491 -0.559 -6.099 1.00 . B B . 5 ARG HH21 1 1
2 890 2 1 6 ARG HH22 H 10.680 0.786 -6.872 1.00 . B B . 5 ARG HH22 1 1
2 891 2 1 6 ARG N N 16.157 -0.097 -1.603 1.00 . B B . 5 ARG N 1 1
2 892 2 1 6 ARG NE N 13.008 0.818 -4.642 1.00 . B B . 5 ARG NE 1 1
2 893 2 1 6 ARG NH1 N 11.911 2.594 -5.681 1.00 . B B . 5 ARG NH1 1 1
2 894 2 1 6 ARG NH2 N 11.374 0.436 -6.226 1.00 . B B . 5 ARG NH2 1 1
2 895 2 1 6 ARG O O 16.706 -2.396 -4.111 1.00 . B B . 5 ARG O 1 1
2 896 2 1 7 ARG C C 15.084 -5.011 -2.873 1.00 . B B . 6 ARG C 1 1
2 897 2 1 7 ARG CA C 16.109 -4.296 -1.989 1.00 . B B . 6 ARG CA 1 1
2 898 2 1 7 ARG CB C 15.901 -4.714 -0.529 1.00 . B B . 6 ARG CB 1 1
2 899 2 1 7 ARG CD C 18.266 -4.493 0.503 1.00 . B B . 6 ARG CD 1 1
2 900 2 1 7 ARG CG C 16.808 -4.041 0.511 1.00 . B B . 6 ARG CG 1 1
2 901 2 1 7 ARG CZ C 19.797 -4.483 -1.487 1.00 . B B . 6 ARG CZ 1 1
2 902 2 1 7 ARG H H 15.465 -2.468 -1.244 1.00 . B B . 6 ARG H 1 1
2 903 2 1 7 ARG HA H 17.120 -4.531 -2.306 1.00 . B B . 6 ARG HA 1 1
2 904 2 1 7 ARG HB2 H 14.881 -4.430 -0.271 1.00 . B B . 6 ARG HB2 1 1
2 905 2 1 7 ARG HB3 H 15.994 -5.797 -0.442 1.00 . B B . 6 ARG HB3 1 1
2 906 2 1 7 ARG HD2 H 18.707 -4.197 1.454 1.00 . B B . 6 ARG HD2 1 1
2 907 2 1 7 ARG HD3 H 18.297 -5.578 0.436 1.00 . B B . 6 ARG HD3 1 1
2 908 2 1 7 ARG HE H 18.997 -2.851 -0.612 1.00 . B B . 6 ARG HE 1 1
2 909 2 1 7 ARG HG2 H 16.752 -2.957 0.414 1.00 . B B . 6 ARG HG2 1 1
2 910 2 1 7 ARG HG3 H 16.417 -4.306 1.487 1.00 . B B . 6 ARG HG3 1 1
2 911 2 1 7 ARG HH11 H 19.518 -6.366 -0.786 1.00 . B B . 6 ARG HH11 1 1
2 912 2 1 7 ARG HH12 H 20.512 -6.244 -2.216 1.00 . B B . 6 ARG HH12 1 1
2 913 2 1 7 ARG HH21 H 20.278 -2.772 -2.468 1.00 . B B . 6 ARG HH21 1 1
2 914 2 1 7 ARG HH22 H 20.941 -4.242 -3.149 1.00 . B B . 6 ARG HH22 1 1
2 915 2 1 7 ARG N N 15.905 -2.867 -2.057 1.00 . B B . 6 ARG N 1 1
2 916 2 1 7 ARG NE N 19.044 -3.861 -0.568 1.00 . B B . 6 ARG NE 1 1
2 917 2 1 7 ARG NH1 N 19.961 -5.803 -1.496 1.00 . B B . 6 ARG NH1 1 1
2 918 2 1 7 ARG NH2 N 20.411 -3.773 -2.430 1.00 . B B . 6 ARG NH2 1 1
2 919 2 1 7 ARG O O 13.970 -4.530 -3.063 1.00 . B B . 6 ARG O 1 1
2 920 2 1 8 ASP C C 13.337 -7.534 -3.447 1.00 . B B . 7 ASP C 1 1
2 921 2 1 8 ASP CA C 14.580 -7.037 -4.190 1.00 . B B . 7 ASP CA 1 1
2 922 2 1 8 ASP CB C 15.388 -8.226 -4.731 1.00 . B B . 7 ASP CB 1 1
2 923 2 1 8 ASP CG C 16.268 -8.965 -3.717 1.00 . B B . 7 ASP CG 1 1
2 924 2 1 8 ASP H H 16.368 -6.543 -3.163 1.00 . B B . 7 ASP H 1 1
2 925 2 1 8 ASP HA H 14.236 -6.449 -5.038 1.00 . B B . 7 ASP HA 1 1
2 926 2 1 8 ASP HB2 H 14.696 -8.942 -5.171 1.00 . B B . 7 ASP HB2 1 1
2 927 2 1 8 ASP HB3 H 16.038 -7.858 -5.523 1.00 . B B . 7 ASP HB3 1 1
2 928 2 1 8 ASP N N 15.442 -6.192 -3.370 1.00 . B B . 7 ASP N 1 1
2 929 2 1 8 ASP O O 12.260 -7.594 -4.027 1.00 . B B . 7 ASP O 1 1
2 930 2 1 8 ASP OD1 O 16.044 -8.849 -2.495 1.00 . B B . 7 ASP OD1 1 1
2 931 2 1 8 ASP OD2 O 17.186 -9.660 -4.179 1.00 . B B . 7 ASP OD2 1 1
2 932 2 1 9 SER C C 11.470 -7.639 -0.847 1.00 . B B . 8 SER C 1 1
2 933 2 1 9 SER CA C 12.471 -8.632 -1.433 1.00 . B B . 8 SER CA 1 1
2 934 2 1 9 SER CB C 13.163 -9.475 -0.354 1.00 . B B . 8 SER CB 1 1
2 935 2 1 9 SER H H 14.403 -7.868 -1.780 1.00 . B B . 8 SER H 1 1
2 936 2 1 9 SER HA H 11.960 -9.309 -2.108 1.00 . B B . 8 SER HA 1 1
2 937 2 1 9 SER HB2 H 13.672 -8.821 0.355 1.00 . B B . 8 SER HB2 1 1
2 938 2 1 9 SER HB3 H 12.418 -10.067 0.172 1.00 . B B . 8 SER HB3 1 1
2 939 2 1 9 SER HG H 14.717 -9.844 -1.474 1.00 . B B . 8 SER HG 1 1
2 940 2 1 9 SER N N 13.479 -7.907 -2.178 1.00 . B B . 8 SER N 1 1
2 941 2 1 9 SER O O 11.869 -6.757 -0.095 1.00 . B B . 8 SER O 1 1
2 942 2 1 9 SER OG O 14.112 -10.353 -0.926 1.00 . B B . 8 SER OG 1 1
2 943 2 1 10 GLY C C 7.961 -6.955 -1.655 1.00 . B B . 9 GLY C 1 1
2 944 2 1 10 GLY CA C 9.130 -6.894 -0.672 1.00 . B B . 9 GLY CA 1 1
2 945 2 1 10 GLY H H 9.886 -8.395 -1.909 1.00 . B B . 9 GLY H 1 1
2 946 2 1 10 GLY HA2 H 8.803 -7.246 0.303 1.00 . B B . 9 GLY HA2 1 1
2 947 2 1 10 GLY HA3 H 9.516 -5.884 -0.538 1.00 . B B . 9 GLY HA3 1 1
2 948 2 1 10 GLY N N 10.179 -7.756 -1.182 1.00 . B B . 9 GLY N 1 1
2 949 2 1 10 GLY O O 7.600 -8.034 -2.103 1.00 . B B . 9 GLY O 1 1
2 950 2 1 11 TYR C C 6.448 -3.577 -2.038 1.00 . B B . 10 TYR C 1 1
2 951 2 1 11 TYR CA C 7.579 -4.493 -1.590 1.00 . B B . 10 TYR CA 1 1
2 952 2 1 11 TYR CB C 8.882 -3.957 -2.193 1.00 . B B . 10 TYR CB 1 1
2 953 2 1 11 TYR CD1 C 9.325 -2.506 -0.144 1.00 . B B . 10 TYR CD1 1 1
2 954 2 1 11 TYR CD2 C 11.191 -3.438 -1.393 1.00 . B B . 10 TYR CD2 1 1
2 955 2 1 11 TYR CE1 C 10.210 -1.873 0.734 1.00 . B B . 10 TYR CE1 1 1
2 956 2 1 11 TYR CE2 C 12.086 -2.823 -0.508 1.00 . B B . 10 TYR CE2 1 1
2 957 2 1 11 TYR CG C 9.810 -3.282 -1.214 1.00 . B B . 10 TYR CG 1 1
2 958 2 1 11 TYR CZ C 11.598 -2.027 0.556 1.00 . B B . 10 TYR CZ 1 1
2 959 2 1 11 TYR H H 6.703 -5.941 -2.810 1.00 . B B . 10 TYR H 1 1
2 960 2 1 11 TYR HA H 7.642 -4.506 -0.502 1.00 . B B . 10 TYR HA 1 1
2 961 2 1 11 TYR HB2 H 9.428 -4.772 -2.658 1.00 . B B . 10 TYR HB2 1 1
2 962 2 1 11 TYR HB3 H 8.649 -3.256 -2.993 1.00 . B B . 10 TYR HB3 1 1
2 963 2 1 11 TYR HD1 H 8.272 -2.390 0.025 1.00 . B B . 10 TYR HD1 1 1
2 964 2 1 11 TYR HD2 H 11.559 -4.044 -2.208 1.00 . B B . 10 TYR HD2 1 1
2 965 2 1 11 TYR HE1 H 9.824 -1.295 1.556 1.00 . B B . 10 TYR HE1 1 1
2 966 2 1 11 TYR HE2 H 13.140 -2.988 -0.642 1.00 . B B . 10 TYR HE2 1 1
2 967 2 1 11 TYR HH H 13.368 -1.570 1.211 1.00 . B B . 10 TYR HH 1 1
2 968 2 1 11 TYR N N 7.337 -5.846 -2.042 1.00 . B B . 10 TYR N 1 1
2 969 2 1 11 TYR O O 5.937 -3.722 -3.145 1.00 . B B . 10 TYR O 1 1
2 970 2 1 11 TYR OH O 12.446 -1.443 1.450 1.00 . B B . 10 TYR OH 1 1
2 971 2 1 12 GLU C C 6.123 -0.160 -1.045 1.00 . B B . 11 GLU C 1 1
2 972 2 1 12 GLU CA C 5.391 -1.400 -1.587 1.00 . B B . 11 GLU CA 1 1
2 973 2 1 12 GLU CB C 3.974 -1.571 -1.051 1.00 . B B . 11 GLU CB 1 1
2 974 2 1 12 GLU CD C 1.831 -0.296 -0.843 1.00 . B B . 11 GLU CD 1 1
2 975 2 1 12 GLU CG C 3.014 -0.603 -1.737 1.00 . B B . 11 GLU CG 1 1
2 976 2 1 12 GLU H H 6.569 -2.560 -0.295 1.00 . B B . 11 GLU H 1 1
2 977 2 1 12 GLU HA H 5.349 -1.346 -2.671 1.00 . B B . 11 GLU HA 1 1
2 978 2 1 12 GLU HB2 H 3.624 -2.580 -1.256 1.00 . B B . 11 GLU HB2 1 1
2 979 2 1 12 GLU HB3 H 3.977 -1.423 0.028 1.00 . B B . 11 GLU HB3 1 1
2 980 2 1 12 GLU HG2 H 3.531 0.329 -1.957 1.00 . B B . 11 GLU HG2 1 1
2 981 2 1 12 GLU HG3 H 2.664 -1.045 -2.669 1.00 . B B . 11 GLU HG3 1 1
2 982 2 1 12 GLU N N 6.156 -2.571 -1.215 1.00 . B B . 11 GLU N 1 1
2 983 2 1 12 GLU O O 5.736 0.430 -0.037 1.00 . B B . 11 GLU O 1 1
2 984 2 1 12 GLU OE1 O 1.388 -1.184 -0.103 1.00 . B B . 11 GLU OE1 1 1
2 985 2 1 12 GLU OE2 O 1.389 0.873 -0.881 1.00 . B B . 11 GLU OE2 1 1
2 986 2 1 13 VAL C C 7.875 2.417 -0.736 1.00 . B B . 12 VAL C 1 1
2 987 2 1 13 VAL CA C 8.321 1.052 -1.275 1.00 . B B . 12 VAL CA 1 1
2 988 2 1 13 VAL CB C 9.323 1.213 -2.440 1.00 . B B . 12 VAL CB 1 1
2 989 2 1 13 VAL CG1 C 10.382 2.296 -2.191 1.00 . B B . 12 VAL CG1 1 1
2 990 2 1 13 VAL CG2 C 10.060 -0.116 -2.667 1.00 . B B . 12 VAL CG2 1 1
2 991 2 1 13 VAL H H 7.407 -0.315 -2.576 1.00 . B B . 12 VAL H 1 1
2 992 2 1 13 VAL HA H 8.846 0.536 -0.475 1.00 . B B . 12 VAL HA 1 1
2 993 2 1 13 VAL HB H 8.779 1.475 -3.348 1.00 . B B . 12 VAL HB 1 1
2 994 2 1 13 VAL HG11 H 11.089 2.313 -3.013 1.00 . B B . 12 VAL HG11 1 1
2 995 2 1 13 VAL HG12 H 9.916 3.279 -2.143 1.00 . B B . 12 VAL HG12 1 1
2 996 2 1 13 VAL HG13 H 10.911 2.093 -1.259 1.00 . B B . 12 VAL HG13 1 1
2 997 2 1 13 VAL HG21 H 10.705 -0.037 -3.535 1.00 . B B . 12 VAL HG21 1 1
2 998 2 1 13 VAL HG22 H 10.662 -0.357 -1.792 1.00 . B B . 12 VAL HG22 1 1
2 999 2 1 13 VAL HG23 H 9.344 -0.914 -2.849 1.00 . B B . 12 VAL HG23 1 1
2 1000 2 1 13 VAL N N 7.230 0.181 -1.716 1.00 . B B . 12 VAL N 1 1
2 1001 2 1 13 VAL O O 8.581 2.975 0.101 1.00 . B B . 12 VAL O 1 1
2 1002 2 1 14 HIS C C 5.910 4.396 0.706 1.00 . B B . 13 HIS C 1 1
2 1003 2 1 14 HIS CA C 6.286 4.285 -0.782 1.00 . B B . 13 HIS CA 1 1
2 1004 2 1 14 HIS CB C 5.155 4.771 -1.706 1.00 . B B . 13 HIS CB 1 1
2 1005 2 1 14 HIS CD2 C 6.846 5.154 -3.621 1.00 . B B . 13 HIS CD2 1 1
2 1006 2 1 14 HIS CE1 C 5.468 5.621 -5.256 1.00 . B B . 13 HIS CE1 1 1
2 1007 2 1 14 HIS CG C 5.571 5.066 -3.129 1.00 . B B . 13 HIS CG 1 1
2 1008 2 1 14 HIS H H 6.174 2.449 -1.855 1.00 . B B . 13 HIS H 1 1
2 1009 2 1 14 HIS HA H 7.139 4.938 -0.924 1.00 . B B . 13 HIS HA 1 1
2 1010 2 1 14 HIS HB2 H 4.350 4.035 -1.713 1.00 . B B . 13 HIS HB2 1 1
2 1011 2 1 14 HIS HB3 H 4.757 5.700 -1.302 1.00 . B B . 13 HIS HB3 1 1
2 1012 2 1 14 HIS HD1 H 3.713 5.389 -4.129 1.00 . B B . 13 HIS HD1 1 1
2 1013 2 1 14 HIS HD2 H 7.759 5.007 -3.064 1.00 . B B . 13 HIS HD2 1 1
2 1014 2 1 14 HIS HE1 H 5.079 5.890 -6.227 1.00 . B B . 13 HIS HE1 1 1
2 1015 2 1 14 HIS N N 6.732 2.955 -1.181 1.00 . B B . 13 HIS N 1 1
2 1016 2 1 14 HIS ND1 N 4.722 5.367 -4.170 1.00 . B B . 13 HIS ND1 1 1
2 1017 2 1 14 HIS NE2 N 6.769 5.498 -4.970 1.00 . B B . 13 HIS NE2 1 1
2 1018 2 1 14 HIS O O 5.781 5.513 1.204 1.00 . B B . 13 HIS O 1 1
2 1019 2 1 15 HIS C C 6.970 3.400 3.637 1.00 . B B . 14 HIS C 1 1
2 1020 2 1 15 HIS CA C 5.650 3.271 2.885 1.00 . B B . 14 HIS CA 1 1
2 1021 2 1 15 HIS CB C 5.000 1.966 3.340 1.00 . B B . 14 HIS CB 1 1
2 1022 2 1 15 HIS CD2 C 2.965 1.189 2.037 1.00 . B B . 14 HIS CD2 1 1
2 1023 2 1 15 HIS CE1 C 1.386 2.276 3.103 1.00 . B B . 14 HIS CE1 1 1
2 1024 2 1 15 HIS CG C 3.544 1.924 3.025 1.00 . B B . 14 HIS CG 1 1
2 1025 2 1 15 HIS H H 5.906 2.379 0.968 1.00 . B B . 14 HIS H 1 1
2 1026 2 1 15 HIS HA H 5.010 4.102 3.183 1.00 . B B . 14 HIS HA 1 1
2 1027 2 1 15 HIS HB2 H 5.507 1.118 2.878 1.00 . B B . 14 HIS HB2 1 1
2 1028 2 1 15 HIS HB3 H 5.099 1.862 4.420 1.00 . B B . 14 HIS HB3 1 1
2 1029 2 1 15 HIS HD1 H 2.669 3.223 4.475 1.00 . B B . 14 HIS HD1 1 1
2 1030 2 1 15 HIS HD2 H 3.483 0.533 1.357 1.00 . B B . 14 HIS HD2 1 1
2 1031 2 1 15 HIS HE1 H 0.416 2.638 3.412 1.00 . B B . 14 HIS HE1 1 1
2 1032 2 1 15 HIS N N 5.796 3.272 1.431 1.00 . B B . 14 HIS N 1 1
2 1033 2 1 15 HIS ND1 N 2.549 2.604 3.684 1.00 . B B . 14 HIS ND1 1 1
2 1034 2 1 15 HIS NE2 N 1.592 1.421 2.091 1.00 . B B . 14 HIS NE2 1 1
2 1035 2 1 15 HIS O O 6.935 3.728 4.820 1.00 . B B . 14 HIS O 1 1
2 1036 2 1 16 GLN C C 10.016 3.963 4.358 1.00 . B B . 15 GLN C 1 1
2 1037 2 1 16 GLN CA C 9.305 2.749 3.777 1.00 . B B . 15 GLN CA 1 1
2 1038 2 1 16 GLN CB C 10.188 1.762 3.008 1.00 . B B . 15 GLN CB 1 1
2 1039 2 1 16 GLN CD C 12.504 2.798 2.781 1.00 . B B . 15 GLN CD 1 1
2 1040 2 1 16 GLN CG C 11.225 2.369 2.056 1.00 . B B . 15 GLN CG 1 1
2 1041 2 1 16 GLN H H 8.103 2.845 2.040 1.00 . B B . 15 GLN H 1 1
2 1042 2 1 16 GLN HA H 8.946 2.195 4.637 1.00 . B B . 15 GLN HA 1 1
2 1043 2 1 16 GLN HB2 H 10.703 1.142 3.733 1.00 . B B . 15 GLN HB2 1 1
2 1044 2 1 16 GLN HB3 H 9.537 1.097 2.447 1.00 . B B . 15 GLN HB3 1 1
2 1045 2 1 16 GLN HE21 H 12.649 4.536 1.746 1.00 . B B . 15 GLN HE21 1 1
2 1046 2 1 16 GLN HE22 H 13.929 4.237 2.898 1.00 . B B . 15 GLN HE22 1 1
2 1047 2 1 16 GLN HG2 H 11.492 1.614 1.316 1.00 . B B . 15 GLN HG2 1 1
2 1048 2 1 16 GLN HG3 H 10.779 3.208 1.529 1.00 . B B . 15 GLN HG3 1 1
2 1049 2 1 16 GLN N N 8.115 3.090 3.017 1.00 . B B . 15 GLN N 1 1
2 1050 2 1 16 GLN NE2 N 13.058 3.961 2.467 1.00 . B B . 15 GLN NE2 1 1
2 1051 2 1 16 GLN O O 10.005 5.048 3.787 1.00 . B B . 15 GLN O 1 1
2 1052 2 1 16 GLN OE1 O 13.009 2.081 3.632 1.00 . B B . 15 GLN OE1 1 1
2 1053 2 1 17 LYS C C 12.590 4.339 6.879 1.00 . B B . 16 LYS C 1 1
2 1054 2 1 17 LYS CA C 11.170 4.730 6.438 1.00 . B B . 16 LYS CA 1 1
2 1055 2 1 17 LYS CB C 10.231 4.871 7.653 1.00 . B B . 16 LYS CB 1 1
2 1056 2 1 17 LYS CD C 7.943 5.715 8.440 1.00 . B B . 16 LYS CD 1 1
2 1057 2 1 17 LYS CE C 7.247 4.378 8.707 1.00 . B B . 16 LYS CE 1 1
2 1058 2 1 17 LYS CG C 8.969 5.671 7.297 1.00 . B B . 16 LYS CG 1 1
2 1059 2 1 17 LYS H H 10.552 2.791 5.881 1.00 . B B . 16 LYS H 1 1
2 1060 2 1 17 LYS HA H 11.238 5.694 5.934 1.00 . B B . 16 LYS HA 1 1
2 1061 2 1 17 LYS HB2 H 9.959 3.879 8.017 1.00 . B B . 16 LYS HB2 1 1
2 1062 2 1 17 LYS HB3 H 10.749 5.398 8.457 1.00 . B B . 16 LYS HB3 1 1
2 1063 2 1 17 LYS HD2 H 8.446 6.017 9.353 1.00 . B B . 16 LYS HD2 1 1
2 1064 2 1 17 LYS HD3 H 7.185 6.464 8.206 1.00 . B B . 16 LYS HD3 1 1
2 1065 2 1 17 LYS HE2 H 7.991 3.605 8.896 1.00 . B B . 16 LYS HE2 1 1
2 1066 2 1 17 LYS HE3 H 6.619 4.482 9.589 1.00 . B B . 16 LYS HE3 1 1
2 1067 2 1 17 LYS HG2 H 9.274 6.693 7.068 1.00 . B B . 16 LYS HG2 1 1
2 1068 2 1 17 LYS HG3 H 8.496 5.256 6.408 1.00 . B B . 16 LYS HG3 1 1
2 1069 2 1 17 LYS HZ1 H 5.766 4.728 7.340 1.00 . B B . 16 LYS HZ1 1 1
2 1070 2 1 17 LYS HZ2 H 6.957 3.740 6.790 1.00 . B B . 16 LYS HZ2 1 1
2 1071 2 1 17 LYS HZ3 H 5.841 3.164 7.851 1.00 . B B . 16 LYS HZ3 1 1
2 1072 2 1 17 LYS N N 10.599 3.738 5.535 1.00 . B B . 16 LYS N 1 1
2 1073 2 1 17 LYS NZ N 6.386 3.973 7.591 1.00 . B B . 16 LYS NZ 1 1
2 1074 2 1 17 LYS O O 13.242 5.114 7.570 1.00 . B B . 16 LYS O 1 1
2 1075 2 1 18 NH2 HN1 H 12.562 2.559 5.892 1.00 . B B . 17 NH2 HN1 1 1
2 1076 2 1 18 NH2 HN2 H 14.034 2.910 6.771 1.00 . B B . 17 NH2 HN2 1 1
2 1077 2 1 18 NH2 N N 13.100 3.167 6.491 1.00 . B B . 17 NH2 N 1 1
2 1078 3 2 1 ZN ZN ZN 0.390 0.232 0.887 1.00 . C A . 101 ZN ZN 1 1
3 1079 1 1 1 ACE C C -11.707 -3.598 -3.620 1.00 . A A . 0 ACE C 1 1
3 1080 1 1 1 ACE CH3 C -10.521 -3.909 -2.722 1.00 . A A . 0 ACE CH3 1 1
3 1081 1 1 1 ACE H1 H -9.682 -3.268 -2.991 1.00 . A A . 0 ACE H1 1 1
3 1082 1 1 1 ACE H2 H -10.795 -3.730 -1.683 1.00 . A A . 0 ACE H2 1 1
3 1083 1 1 1 ACE H3 H -10.237 -4.953 -2.831 1.00 . A A . 0 ACE H3 1 1
3 1084 1 1 1 ACE O O -11.598 -2.779 -4.530 1.00 . A A . 0 ACE O 1 1
3 1085 1 1 2 ASP C C -14.604 -2.541 -3.664 1.00 . A A . 1 ASP C 1 1
3 1086 1 1 2 ASP CA C -14.144 -3.986 -3.934 1.00 . A A . 1 ASP CA 1 1
3 1087 1 1 2 ASP CB C -15.140 -5.025 -3.397 1.00 . A A . 1 ASP CB 1 1
3 1088 1 1 2 ASP CG C -16.270 -5.266 -4.386 1.00 . A A . 1 ASP CG 1 1
3 1089 1 1 2 ASP H H -12.829 -4.910 -2.572 1.00 . A A . 1 ASP H 1 1
3 1090 1 1 2 ASP HA H -14.047 -4.130 -5.010 1.00 . A A . 1 ASP HA 1 1
3 1091 1 1 2 ASP HB2 H -14.632 -5.975 -3.229 1.00 . A A . 1 ASP HB2 1 1
3 1092 1 1 2 ASP HB3 H -15.547 -4.693 -2.439 1.00 . A A . 1 ASP HB3 1 1
3 1093 1 1 2 ASP N N -12.843 -4.239 -3.327 1.00 . A A . 1 ASP N 1 1
3 1094 1 1 2 ASP O O -13.987 -1.833 -2.873 1.00 . A A . 1 ASP O 1 1
3 1095 1 1 2 ASP OD1 O -17.265 -4.529 -4.326 1.00 . A A . 1 ASP OD1 1 1
3 1096 1 1 2 ASP OD2 O -16.124 -6.190 -5.216 1.00 . A A . 1 ASP OD2 1 1
3 1097 1 1 3 ALA C C -16.405 -0.133 -2.964 1.00 . A A . 2 ALA C 1 1
3 1098 1 1 3 ALA CA C -16.110 -0.701 -4.355 1.00 . A A . 2 ALA CA 1 1
3 1099 1 1 3 ALA CB C -17.350 -0.604 -5.242 1.00 . A A . 2 ALA CB 1 1
3 1100 1 1 3 ALA H H -16.155 -2.729 -4.954 1.00 . A A . 2 ALA H 1 1
3 1101 1 1 3 ALA HA H -15.314 -0.107 -4.794 1.00 . A A . 2 ALA HA 1 1
3 1102 1 1 3 ALA HB1 H -17.710 0.424 -5.253 1.00 . A A . 2 ALA HB1 1 1
3 1103 1 1 3 ALA HB2 H -17.107 -0.907 -6.259 1.00 . A A . 2 ALA HB2 1 1
3 1104 1 1 3 ALA HB3 H -18.128 -1.258 -4.847 1.00 . A A . 2 ALA HB3 1 1
3 1105 1 1 3 ALA N N -15.673 -2.093 -4.333 1.00 . A A . 2 ALA N 1 1
3 1106 1 1 3 ALA O O -16.040 1.006 -2.683 1.00 . A A . 2 ALA O 1 1
3 1107 1 1 4 GLU C C -16.006 -0.408 0.163 1.00 . A A . 3 GLU C 1 1
3 1108 1 1 4 GLU CA C -17.259 -0.660 -0.679 1.00 . A A . 3 GLU CA 1 1
3 1109 1 1 4 GLU CB C -18.058 -1.827 -0.097 1.00 . A A . 3 GLU CB 1 1
3 1110 1 1 4 GLU CD C -18.100 -4.308 0.298 1.00 . A A . 3 GLU CD 1 1
3 1111 1 1 4 GLU CG C -17.241 -3.123 -0.097 1.00 . A A . 3 GLU CG 1 1
3 1112 1 1 4 GLU H H -17.271 -1.865 -2.414 1.00 . A A . 3 GLU H 1 1
3 1113 1 1 4 GLU HA H -17.864 0.238 -0.611 1.00 . A A . 3 GLU HA 1 1
3 1114 1 1 4 GLU HB2 H -18.344 -1.591 0.927 1.00 . A A . 3 GLU HB2 1 1
3 1115 1 1 4 GLU HB3 H -18.960 -1.966 -0.690 1.00 . A A . 3 GLU HB3 1 1
3 1116 1 1 4 GLU HG2 H -16.821 -3.301 -1.087 1.00 . A A . 3 GLU HG2 1 1
3 1117 1 1 4 GLU HG3 H -16.426 -3.023 0.618 1.00 . A A . 3 GLU HG3 1 1
3 1118 1 1 4 GLU N N -17.002 -0.947 -2.089 1.00 . A A . 3 GLU N 1 1
3 1119 1 1 4 GLU O O -16.134 0.039 1.298 1.00 . A A . 3 GLU O 1 1
3 1120 1 1 4 GLU OE1 O -18.708 -4.911 -0.614 1.00 . A A . 3 GLU OE1 1 1
3 1121 1 1 4 GLU OE2 O -18.154 -4.606 1.501 1.00 . A A . 3 GLU OE2 1 1
3 1122 1 1 5 PHE C C -12.823 0.763 -0.501 1.00 . A A . 4 PHE C 1 1
3 1123 1 1 5 PHE CA C -13.528 -0.372 0.227 1.00 . A A . 4 PHE CA 1 1
3 1124 1 1 5 PHE CB C -12.657 -1.624 0.266 1.00 . A A . 4 PHE CB 1 1
3 1125 1 1 5 PHE CD1 C -13.550 -2.668 2.376 1.00 . A A . 4 PHE CD1 1 1
3 1126 1 1 5 PHE CD2 C -13.826 -3.868 0.277 1.00 . A A . 4 PHE CD2 1 1
3 1127 1 1 5 PHE CE1 C -14.216 -3.699 3.055 1.00 . A A . 4 PHE CE1 1 1
3 1128 1 1 5 PHE CE2 C -14.486 -4.907 0.957 1.00 . A A . 4 PHE CE2 1 1
3 1129 1 1 5 PHE CG C -13.335 -2.762 0.991 1.00 . A A . 4 PHE CG 1 1
3 1130 1 1 5 PHE CZ C -14.672 -4.825 2.349 1.00 . A A . 4 PHE CZ 1 1
3 1131 1 1 5 PHE H H -14.802 -1.143 -1.274 1.00 . A A . 4 PHE H 1 1
3 1132 1 1 5 PHE HA H -13.683 -0.039 1.248 1.00 . A A . 4 PHE HA 1 1
3 1133 1 1 5 PHE HB2 H -12.400 -1.928 -0.749 1.00 . A A . 4 PHE HB2 1 1
3 1134 1 1 5 PHE HB3 H -11.735 -1.383 0.793 1.00 . A A . 4 PHE HB3 1 1
3 1135 1 1 5 PHE HD1 H -13.216 -1.791 2.910 1.00 . A A . 4 PHE HD1 1 1
3 1136 1 1 5 PHE HD2 H -13.713 -3.904 -0.793 1.00 . A A . 4 PHE HD2 1 1
3 1137 1 1 5 PHE HE1 H -14.366 -3.635 4.119 1.00 . A A . 4 PHE HE1 1 1
3 1138 1 1 5 PHE HE2 H -14.855 -5.760 0.407 1.00 . A A . 4 PHE HE2 1 1
3 1139 1 1 5 PHE HZ H -15.167 -5.619 2.883 1.00 . A A . 4 PHE HZ 1 1
3 1140 1 1 5 PHE N N -14.815 -0.691 -0.373 1.00 . A A . 4 PHE N 1 1
3 1141 1 1 5 PHE O O -12.098 1.504 0.151 1.00 . A A . 4 PHE O 1 1
3 1142 1 1 6 ARG C C -13.207 3.452 -2.131 1.00 . A A . 5 ARG C 1 1
3 1143 1 1 6 ARG CA C -12.592 2.105 -2.574 1.00 . A A . 5 ARG CA 1 1
3 1144 1 1 6 ARG CB C -12.805 1.837 -4.073 1.00 . A A . 5 ARG CB 1 1
3 1145 1 1 6 ARG CD C -10.582 0.496 -4.292 1.00 . A A . 5 ARG CD 1 1
3 1146 1 1 6 ARG CG C -12.078 0.598 -4.627 1.00 . A A . 5 ARG CG 1 1
3 1147 1 1 6 ARG CZ C -9.421 2.108 -5.853 1.00 . A A . 5 ARG CZ 1 1
3 1148 1 1 6 ARG H H -13.706 0.326 -2.276 1.00 . A A . 5 ARG H 1 1
3 1149 1 1 6 ARG HA H -11.523 2.183 -2.393 1.00 . A A . 5 ARG HA 1 1
3 1150 1 1 6 ARG HB2 H -13.874 1.723 -4.246 1.00 . A A . 5 ARG HB2 1 1
3 1151 1 1 6 ARG HB3 H -12.463 2.701 -4.642 1.00 . A A . 5 ARG HB3 1 1
3 1152 1 1 6 ARG HD2 H -10.468 0.319 -3.222 1.00 . A A . 5 ARG HD2 1 1
3 1153 1 1 6 ARG HD3 H -10.150 -0.358 -4.812 1.00 . A A . 5 ARG HD3 1 1
3 1154 1 1 6 ARG HE H -9.638 2.334 -3.870 1.00 . A A . 5 ARG HE 1 1
3 1155 1 1 6 ARG HG2 H -12.568 -0.293 -4.248 1.00 . A A . 5 ARG HG2 1 1
3 1156 1 1 6 ARG HG3 H -12.193 0.593 -5.708 1.00 . A A . 5 ARG HG3 1 1
3 1157 1 1 6 ARG HH11 H -10.130 0.497 -6.874 1.00 . A A . 5 ARG HH11 1 1
3 1158 1 1 6 ARG HH12 H -9.297 1.691 -7.842 1.00 . A A . 5 ARG HH12 1 1
3 1159 1 1 6 ARG HH21 H -8.603 3.838 -5.159 1.00 . A A . 5 ARG HH21 1 1
3 1160 1 1 6 ARG HH22 H -8.454 3.576 -6.881 1.00 . A A . 5 ARG HH22 1 1
3 1161 1 1 6 ARG N N -13.087 0.967 -1.801 1.00 . A A . 5 ARG N 1 1
3 1162 1 1 6 ARG NE N -9.841 1.717 -4.641 1.00 . A A . 5 ARG NE 1 1
3 1163 1 1 6 ARG NH1 N -9.626 1.369 -6.942 1.00 . A A . 5 ARG NH1 1 1
3 1164 1 1 6 ARG NH2 N -8.777 3.269 -5.975 1.00 . A A . 5 ARG NH2 1 1
3 1165 1 1 6 ARG O O -13.134 4.436 -2.858 1.00 . A A . 5 ARG O 1 1
3 1166 1 1 7 ARG C C -13.148 5.759 -0.166 1.00 . A A . 6 ARG C 1 1
3 1167 1 1 7 ARG CA C -14.256 4.710 -0.254 1.00 . A A . 6 ARG CA 1 1
3 1168 1 1 7 ARG CB C -14.706 4.342 1.167 1.00 . A A . 6 ARG CB 1 1
3 1169 1 1 7 ARG CD C -17.083 3.560 0.549 1.00 . A A . 6 ARG CD 1 1
3 1170 1 1 7 ARG CG C -15.753 3.227 1.231 1.00 . A A . 6 ARG CG 1 1
3 1171 1 1 7 ARG CZ C -17.524 3.977 -1.889 1.00 . A A . 6 ARG CZ 1 1
3 1172 1 1 7 ARG H H -13.836 2.662 -0.387 1.00 . A A . 6 ARG H 1 1
3 1173 1 1 7 ARG HA H -15.103 5.108 -0.803 1.00 . A A . 6 ARG HA 1 1
3 1174 1 1 7 ARG HB2 H -13.838 4.000 1.730 1.00 . A A . 6 ARG HB2 1 1
3 1175 1 1 7 ARG HB3 H -15.101 5.232 1.659 1.00 . A A . 6 ARG HB3 1 1
3 1176 1 1 7 ARG HD2 H -17.872 2.978 1.021 1.00 . A A . 6 ARG HD2 1 1
3 1177 1 1 7 ARG HD3 H -17.298 4.616 0.697 1.00 . A A . 6 ARG HD3 1 1
3 1178 1 1 7 ARG HE H -16.701 2.305 -1.115 1.00 . A A . 6 ARG HE 1 1
3 1179 1 1 7 ARG HG2 H -15.333 2.327 0.792 1.00 . A A . 6 ARG HG2 1 1
3 1180 1 1 7 ARG HG3 H -15.950 3.019 2.278 1.00 . A A . 6 ARG HG3 1 1
3 1181 1 1 7 ARG HH11 H -18.093 5.577 -0.771 1.00 . A A . 6 ARG HH11 1 1
3 1182 1 1 7 ARG HH12 H -18.361 5.733 -2.490 1.00 . A A . 6 ARG HH12 1 1
3 1183 1 1 7 ARG HH21 H -17.075 2.588 -3.302 1.00 . A A . 6 ARG HH21 1 1
3 1184 1 1 7 ARG HH22 H -17.799 4.061 -3.902 1.00 . A A . 6 ARG HH22 1 1
3 1185 1 1 7 ARG N N -13.792 3.512 -0.930 1.00 . A A . 6 ARG N 1 1
3 1186 1 1 7 ARG NE N -17.072 3.216 -0.880 1.00 . A A . 6 ARG NE 1 1
3 1187 1 1 7 ARG NH1 N -18.032 5.194 -1.703 1.00 . A A . 6 ARG NH1 1 1
3 1188 1 1 7 ARG NH2 N -17.464 3.504 -3.130 1.00 . A A . 6 ARG NH2 1 1
3 1189 1 1 7 ARG O O -11.999 5.430 0.116 1.00 . A A . 6 ARG O 1 1
3 1190 1 1 8 ASP C C -12.427 8.308 1.474 1.00 . A A . 7 ASP C 1 1
3 1191 1 1 8 ASP CA C -12.677 8.181 -0.035 1.00 . A A . 7 ASP CA 1 1
3 1192 1 1 8 ASP CB C -13.376 9.447 -0.543 1.00 . A A . 7 ASP CB 1 1
3 1193 1 1 8 ASP CG C -12.359 10.525 -0.888 1.00 . A A . 7 ASP CG 1 1
3 1194 1 1 8 ASP H H -14.486 7.220 -0.556 1.00 . A A . 7 ASP H 1 1
3 1195 1 1 8 ASP HA H -11.725 8.060 -0.555 1.00 . A A . 7 ASP HA 1 1
3 1196 1 1 8 ASP HB2 H -13.964 9.220 -1.430 1.00 . A A . 7 ASP HB2 1 1
3 1197 1 1 8 ASP HB3 H -14.057 9.825 0.219 1.00 . A A . 7 ASP HB3 1 1
3 1198 1 1 8 ASP N N -13.519 7.030 -0.334 1.00 . A A . 7 ASP N 1 1
3 1199 1 1 8 ASP O O -11.468 8.949 1.889 1.00 . A A . 7 ASP O 1 1
3 1200 1 1 8 ASP OD1 O -11.836 11.164 0.038 1.00 . A A . 7 ASP OD1 1 1
3 1201 1 1 8 ASP OD2 O -12.088 10.677 -2.096 1.00 . A A . 7 ASP OD2 1 1
3 1202 1 1 9 SER C C -12.073 7.230 4.443 1.00 . A A . 8 SER C 1 1
3 1203 1 1 9 SER CA C -13.319 7.782 3.738 1.00 . A A . 8 SER CA 1 1
3 1204 1 1 9 SER CB C -14.564 7.042 4.239 1.00 . A A . 8 SER CB 1 1
3 1205 1 1 9 SER H H -14.081 7.226 1.870 1.00 . A A . 8 SER H 1 1
3 1206 1 1 9 SER HA H -13.417 8.834 4.002 1.00 . A A . 8 SER HA 1 1
3 1207 1 1 9 SER HB2 H -14.475 5.980 4.011 1.00 . A A . 8 SER HB2 1 1
3 1208 1 1 9 SER HB3 H -14.646 7.168 5.318 1.00 . A A . 8 SER HB3 1 1
3 1209 1 1 9 SER HG H -16.404 7.665 4.300 1.00 . A A . 8 SER HG 1 1
3 1210 1 1 9 SER N N -13.291 7.693 2.288 1.00 . A A . 8 SER N 1 1
3 1211 1 1 9 SER O O -12.028 7.299 5.665 1.00 . A A . 8 SER O 1 1
3 1212 1 1 9 SER OG O -15.726 7.554 3.625 1.00 . A A . 8 SER OG 1 1
3 1213 1 1 10 GLY C C -8.712 7.058 3.469 1.00 . A A . 9 GLY C 1 1
3 1214 1 1 10 GLY CA C -9.784 6.307 4.260 1.00 . A A . 9 GLY CA 1 1
3 1215 1 1 10 GLY H H -11.117 6.726 2.714 1.00 . A A . 9 GLY H 1 1
3 1216 1 1 10 GLY HA2 H -9.698 6.541 5.319 1.00 . A A . 9 GLY HA2 1 1
3 1217 1 1 10 GLY HA3 H -9.688 5.233 4.136 1.00 . A A . 9 GLY HA3 1 1
3 1218 1 1 10 GLY N N -11.072 6.701 3.723 1.00 . A A . 9 GLY N 1 1
3 1219 1 1 10 GLY O O -8.745 8.282 3.442 1.00 . A A . 9 GLY O 1 1
3 1220 1 1 11 TYR C C -6.318 4.601 1.953 1.00 . A A . 10 TYR C 1 1
3 1221 1 1 11 TYR CA C -7.629 4.962 2.648 1.00 . A A . 10 TYR CA 1 1
3 1222 1 1 11 TYR CB C -8.791 4.417 1.803 1.00 . A A . 10 TYR CB 1 1
3 1223 1 1 11 TYR CD1 C -8.814 2.201 3.036 1.00 . A A . 10 TYR CD1 1 1
3 1224 1 1 11 TYR CD2 C -10.921 3.262 2.462 1.00 . A A . 10 TYR CD2 1 1
3 1225 1 1 11 TYR CE1 C -9.504 1.116 3.585 1.00 . A A . 10 TYR CE1 1 1
3 1226 1 1 11 TYR CE2 C -11.619 2.177 3.001 1.00 . A A . 10 TYR CE2 1 1
3 1227 1 1 11 TYR CG C -9.520 3.263 2.444 1.00 . A A . 10 TYR CG 1 1
3 1228 1 1 11 TYR CZ C -10.913 1.080 3.542 1.00 . A A . 10 TYR CZ 1 1
3 1229 1 1 11 TYR H H -7.200 6.927 2.161 1.00 . A A . 10 TYR H 1 1
3 1230 1 1 11 TYR HA H -7.638 4.518 3.641 1.00 . A A . 10 TYR HA 1 1
3 1231 1 1 11 TYR HB2 H -9.510 5.209 1.595 1.00 . A A . 10 TYR HB2 1 1
3 1232 1 1 11 TYR HB3 H -8.418 4.106 0.829 1.00 . A A . 10 TYR HB3 1 1
3 1233 1 1 11 TYR HD1 H -7.741 2.203 3.070 1.00 . A A . 10 TYR HD1 1 1
3 1234 1 1 11 TYR HD2 H -11.465 4.099 2.061 1.00 . A A . 10 TYR HD2 1 1
3 1235 1 1 11 TYR HE1 H -8.950 0.325 4.053 1.00 . A A . 10 TYR HE1 1 1
3 1236 1 1 11 TYR HE2 H -12.693 2.195 2.997 1.00 . A A . 10 TYR HE2 1 1
3 1237 1 1 11 TYR HH H -12.537 0.113 3.995 1.00 . A A . 10 TYR HH 1 1
3 1238 1 1 11 TYR N N -7.768 6.396 2.793 1.00 . A A . 10 TYR N 1 1
3 1239 1 1 11 TYR O O -5.917 5.267 1.006 1.00 . A A . 10 TYR O 1 1
3 1240 1 1 11 TYR OH O -11.585 0.014 4.060 1.00 . A A . 10 TYR OH 1 1
3 1241 1 1 12 GLU C C -5.354 1.255 1.538 1.00 . A A . 11 GLU C 1 1
3 1242 1 1 12 GLU CA C -4.859 2.705 1.475 1.00 . A A . 11 GLU CA 1 1
3 1243 1 1 12 GLU CB C -3.394 2.890 1.876 1.00 . A A . 11 GLU CB 1 1
3 1244 1 1 12 GLU CD C -1.266 1.703 1.151 1.00 . A A . 11 GLU CD 1 1
3 1245 1 1 12 GLU CG C -2.493 2.478 0.703 1.00 . A A . 11 GLU CG 1 1
3 1246 1 1 12 GLU H H -6.044 3.014 3.179 1.00 . A A . 11 GLU H 1 1
3 1247 1 1 12 GLU HA H -4.973 3.076 0.458 1.00 . A A . 11 GLU HA 1 1
3 1248 1 1 12 GLU HB2 H -3.214 3.941 2.101 1.00 . A A . 11 GLU HB2 1 1
3 1249 1 1 12 GLU HB3 H -3.182 2.311 2.774 1.00 . A A . 11 GLU HB3 1 1
3 1250 1 1 12 GLU HG2 H -3.050 1.850 0.015 1.00 . A A . 11 GLU HG2 1 1
3 1251 1 1 12 GLU HG3 H -2.192 3.372 0.159 1.00 . A A . 11 GLU HG3 1 1
3 1252 1 1 12 GLU N N -5.718 3.478 2.345 1.00 . A A . 11 GLU N 1 1
3 1253 1 1 12 GLU O O -4.847 0.446 2.312 1.00 . A A . 11 GLU O 1 1
3 1254 1 1 12 GLU OE1 O -0.386 2.314 1.785 1.00 . A A . 11 GLU OE1 1 1
3 1255 1 1 12 GLU OE2 O -1.223 0.487 0.879 1.00 . A A . 11 GLU OE2 1 1
3 1256 1 1 13 VAL C C -6.510 -1.522 0.742 1.00 . A A . 12 VAL C 1 1
3 1257 1 1 13 VAL CA C -7.267 -0.204 0.749 1.00 . A A . 12 VAL CA 1 1
3 1258 1 1 13 VAL CB C -8.237 -0.129 -0.452 1.00 . A A . 12 VAL CB 1 1
3 1259 1 1 13 VAL CG1 C -9.074 -1.402 -0.657 1.00 . A A . 12 VAL CG1 1 1
3 1260 1 1 13 VAL CG2 C -9.230 1.000 -0.210 1.00 . A A . 12 VAL CG2 1 1
3 1261 1 1 13 VAL H H -6.694 1.708 0.114 1.00 . A A . 12 VAL H 1 1
3 1262 1 1 13 VAL HA H -7.861 -0.177 1.655 1.00 . A A . 12 VAL HA 1 1
3 1263 1 1 13 VAL HB H -7.678 0.073 -1.367 1.00 . A A . 12 VAL HB 1 1
3 1264 1 1 13 VAL HG11 H -8.439 -2.221 -0.977 1.00 . A A . 12 VAL HG11 1 1
3 1265 1 1 13 VAL HG12 H -9.558 -1.677 0.278 1.00 . A A . 12 VAL HG12 1 1
3 1266 1 1 13 VAL HG13 H -9.831 -1.240 -1.425 1.00 . A A . 12 VAL HG13 1 1
3 1267 1 1 13 VAL HG21 H -9.887 1.087 -1.071 1.00 . A A . 12 VAL HG21 1 1
3 1268 1 1 13 VAL HG22 H -9.801 0.773 0.688 1.00 . A A . 12 VAL HG22 1 1
3 1269 1 1 13 VAL HG23 H -8.713 1.944 -0.071 1.00 . A A . 12 VAL HG23 1 1
3 1270 1 1 13 VAL N N -6.396 0.976 0.739 1.00 . A A . 12 VAL N 1 1
3 1271 1 1 13 VAL O O -7.018 -2.509 1.262 1.00 . A A . 12 VAL O 1 1
3 1272 1 1 14 HIS C C -4.209 -3.304 1.580 1.00 . A A . 13 HIS C 1 1
3 1273 1 1 14 HIS CA C -4.442 -2.699 0.182 1.00 . A A . 13 HIS CA 1 1
3 1274 1 1 14 HIS CB C -3.130 -2.277 -0.481 1.00 . A A . 13 HIS CB 1 1
3 1275 1 1 14 HIS CD2 C -1.739 -4.427 -0.644 1.00 . A A . 13 HIS CD2 1 1
3 1276 1 1 14 HIS CE1 C -0.119 -3.925 0.745 1.00 . A A . 13 HIS CE1 1 1
3 1277 1 1 14 HIS CG C -1.966 -3.169 -0.166 1.00 . A A . 13 HIS CG 1 1
3 1278 1 1 14 HIS H H -4.933 -0.686 -0.208 1.00 . A A . 13 HIS H 1 1
3 1279 1 1 14 HIS HA H -4.945 -3.443 -0.433 1.00 . A A . 13 HIS HA 1 1
3 1280 1 1 14 HIS HB2 H -3.275 -2.233 -1.560 1.00 . A A . 13 HIS HB2 1 1
3 1281 1 1 14 HIS HB3 H -2.872 -1.278 -0.132 1.00 . A A . 13 HIS HB3 1 1
3 1282 1 1 14 HIS HD1 H -0.821 -2.002 1.203 1.00 . A A . 13 HIS HD1 1 1
3 1283 1 1 14 HIS HD2 H -2.362 -4.969 -1.339 1.00 . A A . 13 HIS HD2 1 1
3 1284 1 1 14 HIS HE1 H 0.796 -3.970 1.317 1.00 . A A . 13 HIS HE1 1 1
3 1285 1 1 14 HIS N N -5.296 -1.536 0.199 1.00 . A A . 13 HIS N 1 1
3 1286 1 1 14 HIS ND1 N -0.949 -2.874 0.709 1.00 . A A . 13 HIS ND1 1 1
3 1287 1 1 14 HIS NE2 N -0.561 -4.894 -0.066 1.00 . A A . 13 HIS NE2 1 1
3 1288 1 1 14 HIS O O -4.013 -4.508 1.669 1.00 . A A . 13 HIS O 1 1
3 1289 1 1 15 HIS C C -5.279 -3.489 4.758 1.00 . A A . 14 HIS C 1 1
3 1290 1 1 15 HIS CA C -4.015 -3.041 4.022 1.00 . A A . 14 HIS CA 1 1
3 1291 1 1 15 HIS CB C -3.304 -1.969 4.839 1.00 . A A . 14 HIS CB 1 1
3 1292 1 1 15 HIS CD2 C -1.543 -0.566 3.671 1.00 . A A . 14 HIS CD2 1 1
3 1293 1 1 15 HIS CE1 C 0.170 -1.932 3.755 1.00 . A A . 14 HIS CE1 1 1
3 1294 1 1 15 HIS CG C -1.929 -1.691 4.330 1.00 . A A . 14 HIS CG 1 1
3 1295 1 1 15 HIS H H -4.429 -1.539 2.560 1.00 . A A . 14 HIS H 1 1
3 1296 1 1 15 HIS HA H -3.355 -3.906 3.961 1.00 . A A . 14 HIS HA 1 1
3 1297 1 1 15 HIS HB2 H -3.892 -1.056 4.800 1.00 . A A . 14 HIS HB2 1 1
3 1298 1 1 15 HIS HB3 H -3.213 -2.288 5.876 1.00 . A A . 14 HIS HB3 1 1
3 1299 1 1 15 HIS HD1 H -0.827 -3.456 4.799 1.00 . A A . 14 HIS HD1 1 1
3 1300 1 1 15 HIS HD2 H -2.177 0.279 3.453 1.00 . A A . 14 HIS HD2 1 1
3 1301 1 1 15 HIS HE1 H 1.152 -2.358 3.615 1.00 . A A . 14 HIS HE1 1 1
3 1302 1 1 15 HIS N N -4.249 -2.527 2.669 1.00 . A A . 14 HIS N 1 1
3 1303 1 1 15 HIS ND1 N -0.848 -2.535 4.382 1.00 . A A . 14 HIS ND1 1 1
3 1304 1 1 15 HIS NE2 N -0.209 -0.729 3.304 1.00 . A A . 14 HIS NE2 1 1
3 1305 1 1 15 HIS O O -5.176 -3.884 5.917 1.00 . A A . 14 HIS O 1 1
3 1306 1 1 16 GLN C C -8.564 -4.558 3.794 1.00 . A A . 15 GLN C 1 1
3 1307 1 1 16 GLN CA C -7.740 -3.705 4.744 1.00 . A A . 15 GLN CA 1 1
3 1308 1 1 16 GLN CB C -8.457 -2.391 5.073 1.00 . A A . 15 GLN CB 1 1
3 1309 1 1 16 GLN CD C -8.105 -2.517 7.585 1.00 . A A . 15 GLN CD 1 1
3 1310 1 1 16 GLN CG C -7.885 -1.698 6.315 1.00 . A A . 15 GLN CG 1 1
3 1311 1 1 16 GLN H H -6.486 -3.091 3.177 1.00 . A A . 15 GLN H 1 1
3 1312 1 1 16 GLN HA H -7.595 -4.280 5.653 1.00 . A A . 15 GLN HA 1 1
3 1313 1 1 16 GLN HB2 H -8.377 -1.726 4.214 1.00 . A A . 15 GLN HB2 1 1
3 1314 1 1 16 GLN HB3 H -9.511 -2.594 5.244 1.00 . A A . 15 GLN HB3 1 1
3 1315 1 1 16 GLN HE21 H -6.141 -3.031 7.678 1.00 . A A . 15 GLN HE21 1 1
3 1316 1 1 16 GLN HE22 H -7.150 -3.644 8.973 1.00 . A A . 15 GLN HE22 1 1
3 1317 1 1 16 GLN HG2 H -6.819 -1.528 6.179 1.00 . A A . 15 GLN HG2 1 1
3 1318 1 1 16 GLN HG3 H -8.369 -0.728 6.429 1.00 . A A . 15 GLN HG3 1 1
3 1319 1 1 16 GLN N N -6.457 -3.414 4.129 1.00 . A A . 15 GLN N 1 1
3 1320 1 1 16 GLN NE2 N -7.044 -3.104 8.128 1.00 . A A . 15 GLN NE2 1 1
3 1321 1 1 16 GLN O O -8.795 -5.724 4.100 1.00 . A A . 15 GLN O 1 1
3 1322 1 1 16 GLN OE1 O -9.225 -2.646 8.064 1.00 . A A . 15 GLN OE1 1 1
3 1323 1 1 17 LYS C C -10.993 -5.303 1.923 1.00 . A A . 16 LYS C 1 1
3 1324 1 1 17 LYS CA C -9.683 -4.604 1.541 1.00 . A A . 16 LYS CA 1 1
3 1325 1 1 17 LYS CB C -8.724 -5.421 0.634 1.00 . A A . 16 LYS CB 1 1
3 1326 1 1 17 LYS CD C -8.802 -7.858 1.457 1.00 . A A . 16 LYS CD 1 1
3 1327 1 1 17 LYS CE C -8.120 -8.874 2.372 1.00 . A A . 16 LYS CE 1 1
3 1328 1 1 17 LYS CG C -7.943 -6.606 1.233 1.00 . A A . 16 LYS CG 1 1
3 1329 1 1 17 LYS H H -8.737 -3.008 2.522 1.00 . A A . 16 LYS H 1 1
3 1330 1 1 17 LYS HA H -10.011 -3.771 0.920 1.00 . A A . 16 LYS HA 1 1
3 1331 1 1 17 LYS HB2 H -9.283 -5.783 -0.230 1.00 . A A . 16 LYS HB2 1 1
3 1332 1 1 17 LYS HB3 H -7.984 -4.725 0.243 1.00 . A A . 16 LYS HB3 1 1
3 1333 1 1 17 LYS HD2 H -9.763 -7.600 1.892 1.00 . A A . 16 LYS HD2 1 1
3 1334 1 1 17 LYS HD3 H -8.981 -8.317 0.487 1.00 . A A . 16 LYS HD3 1 1
3 1335 1 1 17 LYS HE2 H -8.517 -9.867 2.160 1.00 . A A . 16 LYS HE2 1 1
3 1336 1 1 17 LYS HE3 H -7.044 -8.875 2.190 1.00 . A A . 16 LYS HE3 1 1
3 1337 1 1 17 LYS HG2 H -7.155 -6.875 0.531 1.00 . A A . 16 LYS HG2 1 1
3 1338 1 1 17 LYS HG3 H -7.435 -6.308 2.146 1.00 . A A . 16 LYS HG3 1 1
3 1339 1 1 17 LYS HZ1 H -8.018 -7.652 4.009 1.00 . A A . 16 LYS HZ1 1 1
3 1340 1 1 17 LYS HZ2 H -9.384 -8.562 3.951 1.00 . A A . 16 LYS HZ2 1 1
3 1341 1 1 17 LYS HZ3 H -7.952 -9.253 4.381 1.00 . A A . 16 LYS HZ3 1 1
3 1342 1 1 17 LYS N N -8.980 -3.979 2.658 1.00 . A A . 16 LYS N 1 1
3 1343 1 1 17 LYS NZ N -8.388 -8.565 3.782 1.00 . A A . 16 LYS NZ 1 1
3 1344 1 1 17 LYS O O -11.600 -5.926 1.069 1.00 . A A . 16 LYS O 1 1
3 1345 1 1 18 NH2 HN1 H -10.981 -4.681 3.863 1.00 . A A . 17 NH2 HN1 1 1
3 1346 1 1 18 NH2 HN2 H -12.340 -5.678 3.398 1.00 . A A . 17 NH2 HN2 1 1
3 1347 1 1 18 NH2 N N -11.477 -5.212 3.161 1.00 . A A . 17 NH2 N 1 1
3 1348 2 1 1 ACE C C 9.166 5.121 -6.147 1.00 . B B . 0 ACE C 1 1
3 1349 2 1 1 ACE CH3 C 8.058 5.375 -5.135 1.00 . B B . 0 ACE CH3 1 1
3 1350 2 1 1 ACE H1 H 8.433 5.208 -4.126 1.00 . B B . 0 ACE H1 1 1
3 1351 2 1 1 ACE H2 H 7.737 6.412 -5.221 1.00 . B B . 0 ACE H2 1 1
3 1352 2 1 1 ACE H3 H 7.213 4.716 -5.329 1.00 . B B . 0 ACE H3 1 1
3 1353 2 1 1 ACE O O 8.969 4.383 -7.105 1.00 . B B . 0 ACE O 1 1
3 1354 2 1 2 ASP C C 11.953 4.589 -7.404 1.00 . B B . 1 ASP C 1 1
3 1355 2 1 2 ASP CA C 11.432 5.920 -6.848 1.00 . B B . 1 ASP CA 1 1
3 1356 2 1 2 ASP CB C 12.547 6.669 -6.108 1.00 . B B . 1 ASP CB 1 1
3 1357 2 1 2 ASP CG C 13.521 7.363 -7.050 1.00 . B B . 1 ASP CG 1 1
3 1358 2 1 2 ASP H H 10.395 6.279 -5.060 1.00 . B B . 1 ASP H 1 1
3 1359 2 1 2 ASP HA H 11.092 6.543 -7.677 1.00 . B B . 1 ASP HA 1 1
3 1360 2 1 2 ASP HB2 H 12.111 7.430 -5.459 1.00 . B B . 1 ASP HB2 1 1
3 1361 2 1 2 ASP HB3 H 13.089 5.970 -5.478 1.00 . B B . 1 ASP HB3 1 1
3 1362 2 1 2 ASP N N 10.317 5.761 -5.922 1.00 . B B . 1 ASP N 1 1
3 1363 2 1 2 ASP O O 11.843 3.557 -6.746 1.00 . B B . 1 ASP O 1 1
3 1364 2 1 2 ASP OD1 O 14.368 6.661 -7.645 1.00 . B B . 1 ASP OD1 1 1
3 1365 2 1 2 ASP OD2 O 13.425 8.594 -7.165 1.00 . B B . 1 ASP OD2 1 1
3 1366 2 1 3 ALA C C 14.171 2.749 -8.416 1.00 . B B . 2 ALA C 1 1
3 1367 2 1 3 ALA CA C 13.190 3.525 -9.291 1.00 . B B . 2 ALA CA 1 1
3 1368 2 1 3 ALA CB C 13.949 4.069 -10.500 1.00 . B B . 2 ALA CB 1 1
3 1369 2 1 3 ALA H H 12.631 5.545 -9.047 1.00 . B B . 2 ALA H 1 1
3 1370 2 1 3 ALA HA H 12.412 2.846 -9.637 1.00 . B B . 2 ALA HA 1 1
3 1371 2 1 3 ALA HB1 H 13.291 4.683 -11.106 1.00 . B B . 2 ALA HB1 1 1
3 1372 2 1 3 ALA HB2 H 14.785 4.680 -10.163 1.00 . B B . 2 ALA HB2 1 1
3 1373 2 1 3 ALA HB3 H 14.330 3.239 -11.096 1.00 . B B . 2 ALA HB3 1 1
3 1374 2 1 3 ALA N N 12.563 4.645 -8.595 1.00 . B B . 2 ALA N 1 1
3 1375 2 1 3 ALA O O 14.146 1.525 -8.436 1.00 . B B . 2 ALA O 1 1
3 1376 2 1 4 GLU C C 15.319 1.972 -5.633 1.00 . B B . 3 GLU C 1 1
3 1377 2 1 4 GLU CA C 15.965 2.839 -6.718 1.00 . B B . 3 GLU CA 1 1
3 1378 2 1 4 GLU CB C 16.805 3.934 -6.056 1.00 . B B . 3 GLU CB 1 1
3 1379 2 1 4 GLU CD C 16.746 5.943 -4.530 1.00 . B B . 3 GLU CD 1 1
3 1380 2 1 4 GLU CG C 15.944 4.850 -5.195 1.00 . B B . 3 GLU CG 1 1
3 1381 2 1 4 GLU H H 14.952 4.457 -7.654 1.00 . B B . 3 GLU H 1 1
3 1382 2 1 4 GLU HA H 16.631 2.206 -7.301 1.00 . B B . 3 GLU HA 1 1
3 1383 2 1 4 GLU HB2 H 17.562 3.467 -5.422 1.00 . B B . 3 GLU HB2 1 1
3 1384 2 1 4 GLU HB3 H 17.309 4.519 -6.822 1.00 . B B . 3 GLU HB3 1 1
3 1385 2 1 4 GLU HG2 H 15.207 5.344 -5.828 1.00 . B B . 3 GLU HG2 1 1
3 1386 2 1 4 GLU HG3 H 15.409 4.287 -4.447 1.00 . B B . 3 GLU HG3 1 1
3 1387 2 1 4 GLU N N 15.000 3.447 -7.631 1.00 . B B . 3 GLU N 1 1
3 1388 2 1 4 GLU O O 16.026 1.190 -5.011 1.00 . B B . 3 GLU O 1 1
3 1389 2 1 4 GLU OE1 O 17.569 5.496 -3.589 1.00 . B B . 3 GLU OE1 1 1
3 1390 2 1 4 GLU OE2 O 16.630 7.055 -4.823 1.00 . B B . 3 GLU OE2 1 1
3 1391 2 1 5 PHE C C 12.312 0.326 -5.155 1.00 . B B . 4 PHE C 1 1
3 1392 2 1 5 PHE CA C 13.227 1.324 -4.456 1.00 . B B . 4 PHE CA 1 1
3 1393 2 1 5 PHE CB C 12.381 2.256 -3.594 1.00 . B B . 4 PHE CB 1 1
3 1394 2 1 5 PHE CD1 C 14.356 3.118 -2.270 1.00 . B B . 4 PHE CD1 1 1
3 1395 2 1 5 PHE CD2 C 12.692 4.698 -3.077 1.00 . B B . 4 PHE CD2 1 1
3 1396 2 1 5 PHE CE1 C 15.083 4.173 -1.700 1.00 . B B . 4 PHE CE1 1 1
3 1397 2 1 5 PHE CE2 C 13.430 5.756 -2.524 1.00 . B B . 4 PHE CE2 1 1
3 1398 2 1 5 PHE CG C 13.158 3.382 -2.956 1.00 . B B . 4 PHE CG 1 1
3 1399 2 1 5 PHE CZ C 14.623 5.492 -1.832 1.00 . B B . 4 PHE CZ 1 1
3 1400 2 1 5 PHE H H 13.519 2.843 -5.898 1.00 . B B . 4 PHE H 1 1
3 1401 2 1 5 PHE HA H 13.897 0.760 -3.810 1.00 . B B . 4 PHE HA 1 1
3 1402 2 1 5 PHE HB2 H 11.599 2.684 -4.222 1.00 . B B . 4 PHE HB2 1 1
3 1403 2 1 5 PHE HB3 H 11.903 1.670 -2.810 1.00 . B B . 4 PHE HB3 1 1
3 1404 2 1 5 PHE HD1 H 14.719 2.106 -2.193 1.00 . B B . 4 PHE HD1 1 1
3 1405 2 1 5 PHE HD2 H 11.780 4.892 -3.619 1.00 . B B . 4 PHE HD2 1 1
3 1406 2 1 5 PHE HE1 H 16.002 3.972 -1.177 1.00 . B B . 4 PHE HE1 1 1
3 1407 2 1 5 PHE HE2 H 13.082 6.768 -2.639 1.00 . B B . 4 PHE HE2 1 1
3 1408 2 1 5 PHE HZ H 15.194 6.300 -1.410 1.00 . B B . 4 PHE HZ 1 1
3 1409 2 1 5 PHE N N 14.011 2.119 -5.395 1.00 . B B . 4 PHE N 1 1
3 1410 2 1 5 PHE O O 11.818 -0.576 -4.484 1.00 . B B . 4 PHE O 1 1
3 1411 2 1 6 ARG C C 12.409 -1.729 -7.589 1.00 . B B . 5 ARG C 1 1
3 1412 2 1 6 ARG CA C 11.468 -0.541 -7.325 1.00 . B B . 5 ARG CA 1 1
3 1413 2 1 6 ARG CB C 10.956 0.119 -8.615 1.00 . B B . 5 ARG CB 1 1
3 1414 2 1 6 ARG CD C 8.722 0.797 -7.495 1.00 . B B . 5 ARG CD 1 1
3 1415 2 1 6 ARG CG C 9.871 1.197 -8.426 1.00 . B B . 5 ARG CG 1 1
3 1416 2 1 6 ARG CZ C 7.017 -0.479 -8.800 1.00 . B B . 5 ARG CZ 1 1
3 1417 2 1 6 ARG H H 12.552 1.231 -6.953 1.00 . B B . 5 ARG H 1 1
3 1418 2 1 6 ARG HA H 10.610 -0.932 -6.787 1.00 . B B . 5 ARG HA 1 1
3 1419 2 1 6 ARG HB2 H 11.800 0.557 -9.146 1.00 . B B . 5 ARG HB2 1 1
3 1420 2 1 6 ARG HB3 H 10.541 -0.664 -9.244 1.00 . B B . 5 ARG HB3 1 1
3 1421 2 1 6 ARG HD2 H 9.126 0.629 -6.505 1.00 . B B . 5 ARG HD2 1 1
3 1422 2 1 6 ARG HD3 H 8.009 1.615 -7.412 1.00 . B B . 5 ARG HD3 1 1
3 1423 2 1 6 ARG HE H 8.451 -1.303 -7.647 1.00 . B B . 5 ARG HE 1 1
3 1424 2 1 6 ARG HG2 H 10.333 2.094 -8.028 1.00 . B B . 5 ARG HG2 1 1
3 1425 2 1 6 ARG HG3 H 9.453 1.453 -9.400 1.00 . B B . 5 ARG HG3 1 1
3 1426 2 1 6 ARG HH11 H 6.760 1.531 -8.980 1.00 . B B . 5 ARG HH11 1 1
3 1427 2 1 6 ARG HH12 H 5.669 0.544 -9.927 1.00 . B B . 5 ARG HH12 1 1
3 1428 2 1 6 ARG HH21 H 7.015 -2.510 -8.888 1.00 . B B . 5 ARG HH21 1 1
3 1429 2 1 6 ARG HH22 H 5.819 -1.711 -9.883 1.00 . B B . 5 ARG HH22 1 1
3 1430 2 1 6 ARG N N 12.125 0.447 -6.479 1.00 . B B . 5 ARG N 1 1
3 1431 2 1 6 ARG NE N 8.047 -0.426 -7.947 1.00 . B B . 5 ARG NE 1 1
3 1432 2 1 6 ARG NH1 N 6.430 0.623 -9.268 1.00 . B B . 5 ARG NH1 1 1
3 1433 2 1 6 ARG NH2 N 6.567 -1.663 -9.207 1.00 . B B . 5 ARG NH2 1 1
3 1434 2 1 6 ARG O O 12.651 -2.112 -8.731 1.00 . B B . 5 ARG O 1 1
3 1435 2 1 7 ARG C C 13.201 -4.719 -6.335 1.00 . B B . 6 ARG C 1 1
3 1436 2 1 7 ARG CA C 13.921 -3.369 -6.449 1.00 . B B . 6 ARG CA 1 1
3 1437 2 1 7 ARG CB C 14.862 -3.113 -5.264 1.00 . B B . 6 ARG CB 1 1
3 1438 2 1 7 ARG CD C 16.475 -1.498 -6.513 1.00 . B B . 6 ARG CD 1 1
3 1439 2 1 7 ARG CG C 15.563 -1.749 -5.307 1.00 . B B . 6 ARG CG 1 1
3 1440 2 1 7 ARG CZ C 15.759 -1.395 -8.921 1.00 . B B . 6 ARG CZ 1 1
3 1441 2 1 7 ARG H H 12.742 -1.862 -5.613 1.00 . B B . 6 ARG H 1 1
3 1442 2 1 7 ARG HA H 14.507 -3.363 -7.360 1.00 . B B . 6 ARG HA 1 1
3 1443 2 1 7 ARG HB2 H 14.280 -3.156 -4.344 1.00 . B B . 6 ARG HB2 1 1
3 1444 2 1 7 ARG HB3 H 15.619 -3.890 -5.223 1.00 . B B . 6 ARG HB3 1 1
3 1445 2 1 7 ARG HD2 H 17.230 -0.774 -6.213 1.00 . B B . 6 ARG HD2 1 1
3 1446 2 1 7 ARG HD3 H 16.989 -2.414 -6.783 1.00 . B B . 6 ARG HD3 1 1
3 1447 2 1 7 ARG HE H 15.328 -0.022 -7.505 1.00 . B B . 6 ARG HE 1 1
3 1448 2 1 7 ARG HG2 H 14.811 -0.969 -5.254 1.00 . B B . 6 ARG HG2 1 1
3 1449 2 1 7 ARG HG3 H 16.178 -1.660 -4.416 1.00 . B B . 6 ARG HG3 1 1
3 1450 2 1 7 ARG HH11 H 16.678 -3.172 -8.535 1.00 . B B . 6 ARG HH11 1 1
3 1451 2 1 7 ARG HH12 H 16.233 -2.900 -10.206 1.00 . B B . 6 ARG HH12 1 1
3 1452 2 1 7 ARG HH21 H 14.796 0.232 -9.668 1.00 . B B . 6 ARG HH21 1 1
3 1453 2 1 7 ARG HH22 H 15.159 -1.021 -10.827 1.00 . B B . 6 ARG HH22 1 1
3 1454 2 1 7 ARG N N 12.964 -2.279 -6.504 1.00 . B B . 6 ARG N 1 1
3 1455 2 1 7 ARG NE N 15.773 -0.916 -7.666 1.00 . B B . 6 ARG NE 1 1
3 1456 2 1 7 ARG NH1 N 16.277 -2.581 -9.249 1.00 . B B . 6 ARG NH1 1 1
3 1457 2 1 7 ARG NH2 N 15.205 -0.665 -9.884 1.00 . B B . 6 ARG NH2 1 1
3 1458 2 1 7 ARG O O 11.984 -4.764 -6.179 1.00 . B B . 6 ARG O 1 1
3 1459 2 1 8 ASP C C 12.657 -7.693 -5.304 1.00 . B B . 7 ASP C 1 1
3 1460 2 1 8 ASP CA C 13.346 -7.161 -6.571 1.00 . B B . 7 ASP CA 1 1
3 1461 2 1 8 ASP CB C 14.408 -8.148 -7.081 1.00 . B B . 7 ASP CB 1 1
3 1462 2 1 8 ASP CG C 15.554 -8.343 -6.100 1.00 . B B . 7 ASP CG 1 1
3 1463 2 1 8 ASP H H 14.938 -5.750 -6.543 1.00 . B B . 7 ASP H 1 1
3 1464 2 1 8 ASP HA H 12.585 -7.093 -7.349 1.00 . B B . 7 ASP HA 1 1
3 1465 2 1 8 ASP HB2 H 13.936 -9.096 -7.303 1.00 . B B . 7 ASP HB2 1 1
3 1466 2 1 8 ASP HB3 H 14.833 -7.756 -8.004 1.00 . B B . 7 ASP HB3 1 1
3 1467 2 1 8 ASP N N 13.936 -5.831 -6.427 1.00 . B B . 7 ASP N 1 1
3 1468 2 1 8 ASP O O 11.668 -8.407 -5.429 1.00 . B B . 7 ASP O 1 1
3 1469 2 1 8 ASP OD1 O 16.338 -7.448 -5.950 1.00 . B B . 7 ASP OD1 1 1
3 1470 2 1 8 ASP OD2 O 15.606 -9.483 -5.496 1.00 . B B . 7 ASP OD2 1 1
3 1471 2 1 9 SER C C 11.979 -6.951 -1.923 1.00 . B B . 8 SER C 1 1
3 1472 2 1 9 SER CA C 12.670 -7.957 -2.848 1.00 . B B . 8 SER CA 1 1
3 1473 2 1 9 SER CB C 13.852 -8.607 -2.129 1.00 . B B . 8 SER CB 1 1
3 1474 2 1 9 SER H H 13.978 -6.806 -4.063 1.00 . B B . 8 SER H 1 1
3 1475 2 1 9 SER HA H 11.958 -8.743 -3.073 1.00 . B B . 8 SER HA 1 1
3 1476 2 1 9 SER HB2 H 14.670 -7.892 -2.056 1.00 . B B . 8 SER HB2 1 1
3 1477 2 1 9 SER HB3 H 13.546 -8.911 -1.128 1.00 . B B . 8 SER HB3 1 1
3 1478 2 1 9 SER HG H 15.124 -10.038 -2.470 1.00 . B B . 8 SER HG 1 1
3 1479 2 1 9 SER N N 13.142 -7.361 -4.101 1.00 . B B . 8 SER N 1 1
3 1480 2 1 9 SER O O 12.543 -5.911 -1.607 1.00 . B B . 8 SER O 1 1
3 1481 2 1 9 SER OG O 14.286 -9.746 -2.839 1.00 . B B . 8 SER OG 1 1
3 1482 2 1 10 GLY C C 8.516 -7.027 -0.745 1.00 . B B . 9 GLY C 1 1
3 1483 2 1 10 GLY CA C 9.955 -6.556 -0.508 1.00 . B B . 9 GLY CA 1 1
3 1484 2 1 10 GLY H H 10.318 -8.118 -1.823 1.00 . B B . 9 GLY H 1 1
3 1485 2 1 10 GLY HA2 H 10.251 -6.794 0.513 1.00 . B B . 9 GLY HA2 1 1
3 1486 2 1 10 GLY HA3 H 10.088 -5.487 -0.645 1.00 . B B . 9 GLY HA3 1 1
3 1487 2 1 10 GLY N N 10.778 -7.301 -1.444 1.00 . B B . 9 GLY N 1 1
3 1488 2 1 10 GLY O O 8.285 -8.229 -0.791 1.00 . B B . 9 GLY O 1 1
3 1489 2 1 11 TYR C C 6.113 -4.188 -1.103 1.00 . B B . 10 TYR C 1 1
3 1490 2 1 11 TYR CA C 7.528 -4.731 -0.937 1.00 . B B . 10 TYR CA 1 1
3 1491 2 1 11 TYR CB C 8.356 -4.202 -2.117 1.00 . B B . 10 TYR CB 1 1
3 1492 2 1 11 TYR CD1 C 9.319 -2.276 -0.769 1.00 . B B . 10 TYR CD1 1 1
3 1493 2 1 11 TYR CD2 C 10.722 -3.434 -2.386 1.00 . B B . 10 TYR CD2 1 1
3 1494 2 1 11 TYR CE1 C 10.378 -1.413 -0.461 1.00 . B B . 10 TYR CE1 1 1
3 1495 2 1 11 TYR CE2 C 11.769 -2.549 -2.119 1.00 . B B . 10 TYR CE2 1 1
3 1496 2 1 11 TYR CG C 9.488 -3.281 -1.738 1.00 . B B . 10 TYR CG 1 1
3 1497 2 1 11 TYR CZ C 11.598 -1.526 -1.167 1.00 . B B . 10 TYR CZ 1 1
3 1498 2 1 11 TYR H H 6.657 -6.573 -1.276 1.00 . B B . 10 TYR H 1 1
3 1499 2 1 11 TYR HA H 7.946 -4.394 0.012 1.00 . B B . 10 TYR HA 1 1
3 1500 2 1 11 TYR HB2 H 8.761 -5.038 -2.679 1.00 . B B . 10 TYR HB2 1 1
3 1501 2 1 11 TYR HB3 H 7.706 -3.672 -2.810 1.00 . B B . 10 TYR HB3 1 1
3 1502 2 1 11 TYR HD1 H 8.377 -2.154 -0.263 1.00 . B B . 10 TYR HD1 1 1
3 1503 2 1 11 TYR HD2 H 10.861 -4.224 -3.106 1.00 . B B . 10 TYR HD2 1 1
3 1504 2 1 11 TYR HE1 H 10.237 -0.665 0.301 1.00 . B B . 10 TYR HE1 1 1
3 1505 2 1 11 TYR HE2 H 12.703 -2.654 -2.641 1.00 . B B . 10 TYR HE2 1 1
3 1506 2 1 11 TYR HH H 12.430 -0.039 -0.239 1.00 . B B . 10 TYR HH 1 1
3 1507 2 1 11 TYR N N 7.511 -6.174 -0.939 1.00 . B B . 10 TYR N 1 1
3 1508 2 1 11 TYR O O 5.333 -4.673 -1.923 1.00 . B B . 10 TYR O 1 1
3 1509 2 1 11 TYR OH O 12.621 -0.662 -0.945 1.00 . B B . 10 TYR OH 1 1
3 1510 2 1 12 GLU C C 5.943 -0.733 -0.839 1.00 . B B . 11 GLU C 1 1
3 1511 2 1 12 GLU CA C 5.082 -1.989 -0.991 1.00 . B B . 11 GLU CA 1 1
3 1512 2 1 12 GLU CB C 3.758 -1.894 -0.244 1.00 . B B . 11 GLU CB 1 1
3 1513 2 1 12 GLU CD C 1.783 -0.373 0.103 1.00 . B B . 11 GLU CD 1 1
3 1514 2 1 12 GLU CG C 2.807 -0.883 -0.903 1.00 . B B . 11 GLU CG 1 1
3 1515 2 1 12 GLU H H 6.527 -2.779 0.274 1.00 . B B . 11 GLU H 1 1
3 1516 2 1 12 GLU HA H 4.887 -2.190 -2.043 1.00 . B B . 11 GLU HA 1 1
3 1517 2 1 12 GLU HB2 H 3.283 -2.874 -0.225 1.00 . B B . 11 GLU HB2 1 1
3 1518 2 1 12 GLU HB3 H 3.975 -1.600 0.778 1.00 . B B . 11 GLU HB3 1 1
3 1519 2 1 12 GLU HG2 H 3.379 -0.039 -1.285 1.00 . B B . 11 GLU HG2 1 1
3 1520 2 1 12 GLU HG3 H 2.291 -1.356 -1.738 1.00 . B B . 11 GLU HG3 1 1
3 1521 2 1 12 GLU N N 5.872 -3.061 -0.440 1.00 . B B . 11 GLU N 1 1
3 1522 2 1 12 GLU O O 6.158 -0.238 0.268 1.00 . B B . 11 GLU O 1 1
3 1523 2 1 12 GLU OE1 O 1.353 -1.138 0.958 1.00 . B B . 11 GLU OE1 1 1
3 1524 2 1 12 GLU OE2 O 1.476 0.851 0.036 1.00 . B B . 11 GLU OE2 1 1
3 1525 2 1 13 VAL C C 7.049 2.128 -1.547 1.00 . B B . 12 VAL C 1 1
3 1526 2 1 13 VAL CA C 7.505 0.768 -2.068 1.00 . B B . 12 VAL CA 1 1
3 1527 2 1 13 VAL CB C 7.999 0.822 -3.526 1.00 . B B . 12 VAL CB 1 1
3 1528 2 1 13 VAL CG1 C 8.843 2.060 -3.844 1.00 . B B . 12 VAL CG1 1 1
3 1529 2 1 13 VAL CG2 C 8.835 -0.433 -3.764 1.00 . B B . 12 VAL CG2 1 1
3 1530 2 1 13 VAL H H 6.239 -0.728 -2.832 1.00 . B B . 12 VAL H 1 1
3 1531 2 1 13 VAL HA H 8.344 0.459 -1.454 1.00 . B B . 12 VAL HA 1 1
3 1532 2 1 13 VAL HB H 7.147 0.815 -4.202 1.00 . B B . 12 VAL HB 1 1
3 1533 2 1 13 VAL HG11 H 9.617 2.179 -3.089 1.00 . B B . 12 VAL HG11 1 1
3 1534 2 1 13 VAL HG12 H 9.302 1.975 -4.827 1.00 . B B . 12 VAL HG12 1 1
3 1535 2 1 13 VAL HG13 H 8.201 2.936 -3.843 1.00 . B B . 12 VAL HG13 1 1
3 1536 2 1 13 VAL HG21 H 9.682 -0.434 -3.082 1.00 . B B . 12 VAL HG21 1 1
3 1537 2 1 13 VAL HG22 H 8.236 -1.326 -3.597 1.00 . B B . 12 VAL HG22 1 1
3 1538 2 1 13 VAL HG23 H 9.192 -0.452 -4.785 1.00 . B B . 12 VAL HG23 1 1
3 1539 2 1 13 VAL N N 6.470 -0.257 -1.970 1.00 . B B . 12 VAL N 1 1
3 1540 2 1 13 VAL O O 7.891 2.957 -1.199 1.00 . B B . 12 VAL O 1 1
3 1541 2 1 14 HIS C C 5.638 3.754 0.591 1.00 . B B . 13 HIS C 1 1
3 1542 2 1 14 HIS CA C 5.212 3.577 -0.868 1.00 . B B . 13 HIS CA 1 1
3 1543 2 1 14 HIS CB C 3.681 3.597 -0.950 1.00 . B B . 13 HIS CB 1 1
3 1544 2 1 14 HIS CD2 C 3.593 3.302 -3.504 1.00 . B B . 13 HIS CD2 1 1
3 1545 2 1 14 HIS CE1 C 1.881 1.944 -3.652 1.00 . B B . 13 HIS CE1 1 1
3 1546 2 1 14 HIS CG C 3.109 3.090 -2.244 1.00 . B B . 13 HIS CG 1 1
3 1547 2 1 14 HIS H H 5.079 1.639 -1.727 1.00 . B B . 13 HIS H 1 1
3 1548 2 1 14 HIS HA H 5.628 4.387 -1.465 1.00 . B B . 13 HIS HA 1 1
3 1549 2 1 14 HIS HB2 H 3.280 2.985 -0.140 1.00 . B B . 13 HIS HB2 1 1
3 1550 2 1 14 HIS HB3 H 3.338 4.617 -0.794 1.00 . B B . 13 HIS HB3 1 1
3 1551 2 1 14 HIS HD1 H 1.470 1.899 -1.597 1.00 . B B . 13 HIS HD1 1 1
3 1552 2 1 14 HIS HD2 H 4.449 3.907 -3.766 1.00 . B B . 13 HIS HD2 1 1
3 1553 2 1 14 HIS HE1 H 1.113 1.298 -4.041 1.00 . B B . 13 HIS HE1 1 1
3 1554 2 1 14 HIS N N 5.735 2.348 -1.430 1.00 . B B . 13 HIS N 1 1
3 1555 2 1 14 HIS ND1 N 2.033 2.248 -2.360 1.00 . B B . 13 HIS ND1 1 1
3 1556 2 1 14 HIS NE2 N 2.817 2.550 -4.389 1.00 . B B . 13 HIS NE2 1 1
3 1557 2 1 14 HIS O O 5.678 4.879 1.066 1.00 . B B . 13 HIS O 1 1
3 1558 2 1 15 HIS C C 7.888 2.806 2.868 1.00 . B B . 14 HIS C 1 1
3 1559 2 1 15 HIS CA C 6.378 2.698 2.691 1.00 . B B . 14 HIS CA 1 1
3 1560 2 1 15 HIS CB C 5.782 1.479 3.395 1.00 . B B . 14 HIS CB 1 1
3 1561 2 1 15 HIS CD2 C 3.386 0.930 2.725 1.00 . B B . 14 HIS CD2 1 1
3 1562 2 1 15 HIS CE1 C 2.328 2.586 3.689 1.00 . B B . 14 HIS CE1 1 1
3 1563 2 1 15 HIS CG C 4.291 1.631 3.461 1.00 . B B . 14 HIS CG 1 1
3 1564 2 1 15 HIS H H 5.922 1.759 0.849 1.00 . B B . 14 HIS H 1 1
3 1565 2 1 15 HIS HA H 5.956 3.587 3.161 1.00 . B B . 14 HIS HA 1 1
3 1566 2 1 15 HIS HB2 H 6.043 0.565 2.858 1.00 . B B . 14 HIS HB2 1 1
3 1567 2 1 15 HIS HB3 H 6.171 1.398 4.403 1.00 . B B . 14 HIS HB3 1 1
3 1568 2 1 15 HIS HD1 H 4.017 3.386 4.636 1.00 . B B . 14 HIS HD1 1 1
3 1569 2 1 15 HIS HD2 H 3.622 0.099 2.083 1.00 . B B . 14 HIS HD2 1 1
3 1570 2 1 15 HIS HE1 H 1.561 3.291 3.964 1.00 . B B . 14 HIS HE1 1 1
3 1571 2 1 15 HIS N N 5.965 2.665 1.297 1.00 . B B . 14 HIS N 1 1
3 1572 2 1 15 HIS ND1 N 3.609 2.659 4.068 1.00 . B B . 14 HIS ND1 1 1
3 1573 2 1 15 HIS NE2 N 2.141 1.542 2.876 1.00 . B B . 14 HIS NE2 1 1
3 1574 2 1 15 HIS O O 8.309 3.166 3.963 1.00 . B B . 14 HIS O 1 1
3 1575 2 1 16 GLN C C 10.503 4.204 2.275 1.00 . B B . 15 GLN C 1 1
3 1576 2 1 16 GLN CA C 10.136 2.781 1.853 1.00 . B B . 15 GLN CA 1 1
3 1577 2 1 16 GLN CB C 10.695 2.497 0.459 1.00 . B B . 15 GLN CB 1 1
3 1578 2 1 16 GLN CD C 12.947 1.462 1.204 1.00 . B B . 15 GLN CD 1 1
3 1579 2 1 16 GLN CG C 12.227 2.530 0.382 1.00 . B B . 15 GLN CG 1 1
3 1580 2 1 16 GLN H H 8.308 2.314 0.929 1.00 . B B . 15 GLN H 1 1
3 1581 2 1 16 GLN HA H 10.556 2.073 2.554 1.00 . B B . 15 GLN HA 1 1
3 1582 2 1 16 GLN HB2 H 10.333 1.534 0.115 1.00 . B B . 15 GLN HB2 1 1
3 1583 2 1 16 GLN HB3 H 10.312 3.251 -0.219 1.00 . B B . 15 GLN HB3 1 1
3 1584 2 1 16 GLN HE21 H 14.725 2.432 1.049 1.00 . B B . 15 GLN HE21 1 1
3 1585 2 1 16 GLN HE22 H 14.764 0.928 1.943 1.00 . B B . 15 GLN HE22 1 1
3 1586 2 1 16 GLN HG2 H 12.485 2.359 -0.652 1.00 . B B . 15 GLN HG2 1 1
3 1587 2 1 16 GLN HG3 H 12.586 3.519 0.661 1.00 . B B . 15 GLN HG3 1 1
3 1588 2 1 16 GLN N N 8.696 2.581 1.820 1.00 . B B . 15 GLN N 1 1
3 1589 2 1 16 GLN NE2 N 14.251 1.617 1.412 1.00 . B B . 15 GLN NE2 1 1
3 1590 2 1 16 GLN O O 11.505 4.388 2.956 1.00 . B B . 15 GLN O 1 1
3 1591 2 1 16 GLN OE1 O 12.352 0.480 1.627 1.00 . B B . 15 GLN OE1 1 1
3 1592 2 1 17 LYS C C 8.485 7.149 2.718 1.00 . B B . 16 LYS C 1 1
3 1593 2 1 17 LYS CA C 9.824 6.600 2.190 1.00 . B B . 16 LYS CA 1 1
3 1594 2 1 17 LYS CB C 10.291 7.350 0.927 1.00 . B B . 16 LYS CB 1 1
3 1595 2 1 17 LYS CD C 12.863 6.958 1.153 1.00 . B B . 16 LYS CD 1 1
3 1596 2 1 17 LYS CE C 13.258 8.419 1.364 1.00 . B B . 16 LYS CE 1 1
3 1597 2 1 17 LYS CG C 11.597 6.830 0.292 1.00 . B B . 16 LYS CG 1 1
3 1598 2 1 17 LYS H H 8.891 4.920 1.306 1.00 . B B . 16 LYS H 1 1
3 1599 2 1 17 LYS HA H 10.571 6.736 2.970 1.00 . B B . 16 LYS HA 1 1
3 1600 2 1 17 LYS HB2 H 9.504 7.282 0.176 1.00 . B B . 16 LYS HB2 1 1
3 1601 2 1 17 LYS HB3 H 10.418 8.401 1.171 1.00 . B B . 16 LYS HB3 1 1
3 1602 2 1 17 LYS HD2 H 12.722 6.478 2.119 1.00 . B B . 16 LYS HD2 1 1
3 1603 2 1 17 LYS HD3 H 13.676 6.448 0.637 1.00 . B B . 16 LYS HD3 1 1
3 1604 2 1 17 LYS HE2 H 13.284 8.925 0.398 1.00 . B B . 16 LYS HE2 1 1
3 1605 2 1 17 LYS HE3 H 12.518 8.903 1.998 1.00 . B B . 16 LYS HE3 1 1
3 1606 2 1 17 LYS HG2 H 11.473 5.783 0.014 1.00 . B B . 16 LYS HG2 1 1
3 1607 2 1 17 LYS HG3 H 11.763 7.382 -0.631 1.00 . B B . 16 LYS HG3 1 1
3 1608 2 1 17 LYS HZ1 H 14.579 8.061 2.890 1.00 . B B . 16 LYS HZ1 1 1
3 1609 2 1 17 LYS HZ2 H 15.279 8.095 1.400 1.00 . B B . 16 LYS HZ2 1 1
3 1610 2 1 17 LYS HZ3 H 14.823 9.500 2.123 1.00 . B B . 16 LYS HZ3 1 1
3 1611 2 1 17 LYS N N 9.682 5.183 1.877 1.00 . B B . 16 LYS N 1 1
3 1612 2 1 17 LYS NZ N 14.583 8.527 1.993 1.00 . B B . 16 LYS NZ 1 1
3 1613 2 1 17 LYS O O 7.447 6.496 2.645 1.00 . B B . 16 LYS O 1 1
3 1614 2 1 18 NH2 HN1 H 9.351 8.880 3.338 1.00 . B B . 17 NH2 HN1 1 1
3 1615 2 1 18 NH2 HN2 H 7.631 8.755 3.623 1.00 . B B . 17 NH2 HN2 1 1
3 1616 2 1 18 NH2 N N 8.488 8.364 3.263 1.00 . B B . 17 NH2 N 1 1
3 1617 3 2 1 ZN ZN ZN 0.619 0.551 1.907 1.00 . C A . 101 ZN ZN 1 1
4 1618 1 1 1 ACE C C -14.199 -1.660 -5.912 1.00 . A A . 0 ACE C 1 1
4 1619 1 1 1 ACE CH3 C -12.961 -2.313 -6.504 1.00 . A A . 0 ACE CH3 1 1
4 1620 1 1 1 ACE H1 H -13.094 -3.393 -6.527 1.00 . A A . 0 ACE H1 1 1
4 1621 1 1 1 ACE H2 H -12.802 -1.951 -7.522 1.00 . A A . 0 ACE H2 1 1
4 1622 1 1 1 ACE H3 H -12.092 -2.065 -5.896 1.00 . A A . 0 ACE H3 1 1
4 1623 1 1 1 ACE O O -14.808 -0.822 -6.565 1.00 . A A . 0 ACE O 1 1
4 1624 1 1 2 ASP C C -15.544 0.064 -3.778 1.00 . A A . 1 ASP C 1 1
4 1625 1 1 2 ASP CA C -15.715 -1.439 -3.979 1.00 . A A . 1 ASP CA 1 1
4 1626 1 1 2 ASP CB C -15.900 -2.099 -2.619 1.00 . A A . 1 ASP CB 1 1
4 1627 1 1 2 ASP CG C -16.383 -3.521 -2.778 1.00 . A A . 1 ASP CG 1 1
4 1628 1 1 2 ASP H H -14.044 -2.733 -4.198 1.00 . A A . 1 ASP H 1 1
4 1629 1 1 2 ASP HA H -16.615 -1.623 -4.567 1.00 . A A . 1 ASP HA 1 1
4 1630 1 1 2 ASP HB2 H -14.963 -2.071 -2.067 1.00 . A A . 1 ASP HB2 1 1
4 1631 1 1 2 ASP HB3 H -16.651 -1.547 -2.057 1.00 . A A . 1 ASP HB3 1 1
4 1632 1 1 2 ASP N N -14.574 -2.022 -4.681 1.00 . A A . 1 ASP N 1 1
4 1633 1 1 2 ASP O O -14.647 0.521 -3.071 1.00 . A A . 1 ASP O 1 1
4 1634 1 1 2 ASP OD1 O -17.592 -3.699 -2.949 1.00 . A A . 1 ASP OD1 1 1
4 1635 1 1 2 ASP OD2 O -15.529 -4.430 -2.707 1.00 . A A . 1 ASP OD2 1 1
4 1636 1 1 3 ALA C C -16.686 2.774 -2.941 1.00 . A A . 2 ALA C 1 1
4 1637 1 1 3 ALA CA C -16.466 2.264 -4.354 1.00 . A A . 2 ALA CA 1 1
4 1638 1 1 3 ALA CB C -17.544 2.772 -5.308 1.00 . A A . 2 ALA CB 1 1
4 1639 1 1 3 ALA H H -17.181 0.368 -4.926 1.00 . A A . 2 ALA H 1 1
4 1640 1 1 3 ALA HA H -15.498 2.619 -4.693 1.00 . A A . 2 ALA HA 1 1
4 1641 1 1 3 ALA HB1 H -17.309 2.455 -6.321 1.00 . A A . 2 ALA HB1 1 1
4 1642 1 1 3 ALA HB2 H -18.515 2.370 -5.019 1.00 . A A . 2 ALA HB2 1 1
4 1643 1 1 3 ALA HB3 H -17.579 3.860 -5.272 1.00 . A A . 2 ALA HB3 1 1
4 1644 1 1 3 ALA N N -16.457 0.820 -4.385 1.00 . A A . 2 ALA N 1 1
4 1645 1 1 3 ALA O O -15.959 3.661 -2.520 1.00 . A A . 2 ALA O 1 1
4 1646 1 1 4 GLU C C -16.765 2.585 0.116 1.00 . A A . 3 GLU C 1 1
4 1647 1 1 4 GLU CA C -17.966 2.602 -0.839 1.00 . A A . 3 GLU CA 1 1
4 1648 1 1 4 GLU CB C -19.124 1.739 -0.326 1.00 . A A . 3 GLU CB 1 1
4 1649 1 1 4 GLU CD C -19.868 -0.583 0.252 1.00 . A A . 3 GLU CD 1 1
4 1650 1 1 4 GLU CG C -18.694 0.288 -0.133 1.00 . A A . 3 GLU CG 1 1
4 1651 1 1 4 GLU H H -18.136 1.408 -2.577 1.00 . A A . 3 GLU H 1 1
4 1652 1 1 4 GLU HA H -18.326 3.626 -0.887 1.00 . A A . 3 GLU HA 1 1
4 1653 1 1 4 GLU HB2 H -19.480 2.136 0.624 1.00 . A A . 3 GLU HB2 1 1
4 1654 1 1 4 GLU HB3 H -19.940 1.775 -1.044 1.00 . A A . 3 GLU HB3 1 1
4 1655 1 1 4 GLU HG2 H -18.255 -0.088 -1.059 1.00 . A A . 3 GLU HG2 1 1
4 1656 1 1 4 GLU HG3 H -17.960 0.243 0.662 1.00 . A A . 3 GLU HG3 1 1
4 1657 1 1 4 GLU N N -17.621 2.185 -2.190 1.00 . A A . 3 GLU N 1 1
4 1658 1 1 4 GLU O O -16.787 3.327 1.087 1.00 . A A . 3 GLU O 1 1
4 1659 1 1 4 GLU OE1 O -20.265 -0.545 1.436 1.00 . A A . 3 GLU OE1 1 1
4 1660 1 1 4 GLU OE2 O -20.375 -1.282 -0.625 1.00 . A A . 3 GLU OE2 1 1
4 1661 1 1 5 PHE C C -13.354 2.621 0.038 1.00 . A A . 4 PHE C 1 1
4 1662 1 1 5 PHE CA C -14.478 1.767 0.613 1.00 . A A . 4 PHE CA 1 1
4 1663 1 1 5 PHE CB C -13.981 0.327 0.732 1.00 . A A . 4 PHE CB 1 1
4 1664 1 1 5 PHE CD1 C -14.620 -0.357 3.063 1.00 . A A . 4 PHE CD1 1 1
4 1665 1 1 5 PHE CD2 C -15.907 -1.225 1.193 1.00 . A A . 4 PHE CD2 1 1
4 1666 1 1 5 PHE CE1 C -15.481 -1.010 3.960 1.00 . A A . 4 PHE CE1 1 1
4 1667 1 1 5 PHE CE2 C -16.771 -1.878 2.086 1.00 . A A . 4 PHE CE2 1 1
4 1668 1 1 5 PHE CG C -14.834 -0.469 1.681 1.00 . A A . 4 PHE CG 1 1
4 1669 1 1 5 PHE CZ C -16.549 -1.782 3.472 1.00 . A A . 4 PHE CZ 1 1
4 1670 1 1 5 PHE H H -15.784 1.176 -0.957 1.00 . A A . 4 PHE H 1 1
4 1671 1 1 5 PHE HA H -14.678 2.145 1.616 1.00 . A A . 4 PHE HA 1 1
4 1672 1 1 5 PHE HB2 H -13.967 -0.143 -0.253 1.00 . A A . 4 PHE HB2 1 1
4 1673 1 1 5 PHE HB3 H -12.960 0.327 1.117 1.00 . A A . 4 PHE HB3 1 1
4 1674 1 1 5 PHE HD1 H -13.816 0.269 3.423 1.00 . A A . 4 PHE HD1 1 1
4 1675 1 1 5 PHE HD2 H -16.095 -1.245 0.132 1.00 . A A . 4 PHE HD2 1 1
4 1676 1 1 5 PHE HE1 H -15.331 -0.906 5.023 1.00 . A A . 4 PHE HE1 1 1
4 1677 1 1 5 PHE HE2 H -17.611 -2.439 1.704 1.00 . A A . 4 PHE HE2 1 1
4 1678 1 1 5 PHE HZ H -17.206 -2.288 4.162 1.00 . A A . 4 PHE HZ 1 1
4 1679 1 1 5 PHE N N -15.718 1.795 -0.163 1.00 . A A . 4 PHE N 1 1
4 1680 1 1 5 PHE O O -12.422 2.916 0.779 1.00 . A A . 4 PHE O 1 1
4 1681 1 1 6 ARG C C -12.236 5.236 -1.458 1.00 . A A . 5 ARG C 1 1
4 1682 1 1 6 ARG CA C -12.336 3.762 -1.900 1.00 . A A . 5 ARG CA 1 1
4 1683 1 1 6 ARG CB C -12.501 3.608 -3.423 1.00 . A A . 5 ARG CB 1 1
4 1684 1 1 6 ARG CD C -10.521 1.932 -3.581 1.00 . A A . 5 ARG CD 1 1
4 1685 1 1 6 ARG CG C -11.184 3.217 -4.115 1.00 . A A . 5 ARG CG 1 1
4 1686 1 1 6 ARG CZ C -11.301 -0.413 -3.093 1.00 . A A . 5 ARG CZ 1 1
4 1687 1 1 6 ARG H H -14.191 2.758 -1.814 1.00 . A A . 5 ARG H 1 1
4 1688 1 1 6 ARG HA H -11.412 3.278 -1.595 1.00 . A A . 5 ARG HA 1 1
4 1689 1 1 6 ARG HB2 H -13.249 2.847 -3.652 1.00 . A A . 5 ARG HB2 1 1
4 1690 1 1 6 ARG HB3 H -12.866 4.541 -3.848 1.00 . A A . 5 ARG HB3 1 1
4 1691 1 1 6 ARG HD2 H -9.837 1.555 -4.338 1.00 . A A . 5 ARG HD2 1 1
4 1692 1 1 6 ARG HD3 H -9.943 2.170 -2.687 1.00 . A A . 5 ARG HD3 1 1
4 1693 1 1 6 ARG HE H -12.433 1.251 -3.022 1.00 . A A . 5 ARG HE 1 1
4 1694 1 1 6 ARG HG2 H -11.382 3.091 -5.179 1.00 . A A . 5 ARG HG2 1 1
4 1695 1 1 6 ARG HG3 H -10.486 4.041 -3.993 1.00 . A A . 5 ARG HG3 1 1
4 1696 1 1 6 ARG HH11 H -9.325 -0.424 -3.578 1.00 . A A . 5 ARG HH11 1 1
4 1697 1 1 6 ARG HH12 H -10.011 -1.987 -3.200 1.00 . A A . 5 ARG HH12 1 1
4 1698 1 1 6 ARG HH21 H -13.237 -0.779 -2.601 1.00 . A A . 5 ARG HH21 1 1
4 1699 1 1 6 ARG HH22 H -12.201 -2.184 -2.652 1.00 . A A . 5 ARG HH22 1 1
4 1700 1 1 6 ARG N N -13.407 3.024 -1.238 1.00 . A A . 5 ARG N 1 1
4 1701 1 1 6 ARG NE N -11.509 0.903 -3.232 1.00 . A A . 5 ARG NE 1 1
4 1702 1 1 6 ARG NH1 N -10.115 -0.989 -3.301 1.00 . A A . 5 ARG NH1 1 1
4 1703 1 1 6 ARG NH2 N -12.321 -1.183 -2.725 1.00 . A A . 5 ARG NH2 1 1
4 1704 1 1 6 ARG O O -11.661 6.056 -2.165 1.00 . A A . 5 ARG O 1 1
4 1705 1 1 7 ARG C C -11.891 7.730 0.535 1.00 . A A . 6 ARG C 1 1
4 1706 1 1 7 ARG CA C -13.126 6.912 0.166 1.00 . A A . 6 ARG CA 1 1
4 1707 1 1 7 ARG CB C -14.044 6.780 1.388 1.00 . A A . 6 ARG CB 1 1
4 1708 1 1 7 ARG CD C -16.242 6.813 0.027 1.00 . A A . 6 ARG CD 1 1
4 1709 1 1 7 ARG CG C -15.389 6.110 1.095 1.00 . A A . 6 ARG CG 1 1
4 1710 1 1 7 ARG CZ C -15.628 6.891 -2.430 1.00 . A A . 6 ARG CZ 1 1
4 1711 1 1 7 ARG H H -13.206 4.824 0.251 1.00 . A A . 6 ARG H 1 1
4 1712 1 1 7 ARG HA H -13.656 7.438 -0.618 1.00 . A A . 6 ARG HA 1 1
4 1713 1 1 7 ARG HB2 H -13.534 6.175 2.143 1.00 . A A . 6 ARG HB2 1 1
4 1714 1 1 7 ARG HB3 H -14.233 7.766 1.805 1.00 . A A . 6 ARG HB3 1 1
4 1715 1 1 7 ARG HD2 H -17.291 6.653 0.271 1.00 . A A . 6 ARG HD2 1 1
4 1716 1 1 7 ARG HD3 H -16.054 7.885 0.049 1.00 . A A . 6 ARG HD3 1 1
4 1717 1 1 7 ARG HE H -16.187 5.254 -1.395 1.00 . A A . 6 ARG HE 1 1
4 1718 1 1 7 ARG HG2 H -15.191 5.085 0.790 1.00 . A A . 6 ARG HG2 1 1
4 1719 1 1 7 ARG HG3 H -15.956 6.083 2.026 1.00 . A A . 6 ARG HG3 1 1
4 1720 1 1 7 ARG HH11 H -15.481 8.751 -1.618 1.00 . A A . 6 ARG HH11 1 1
4 1721 1 1 7 ARG HH12 H -15.101 8.641 -3.320 1.00 . A A . 6 ARG HH12 1 1
4 1722 1 1 7 ARG HH21 H -15.692 5.228 -3.601 1.00 . A A . 6 ARG HH21 1 1
4 1723 1 1 7 ARG HH22 H -15.238 6.702 -4.421 1.00 . A A . 6 ARG HH22 1 1
4 1724 1 1 7 ARG N N -12.826 5.572 -0.308 1.00 . A A . 6 ARG N 1 1
4 1725 1 1 7 ARG NE N -16.009 6.247 -1.313 1.00 . A A . 6 ARG NE 1 1
4 1726 1 1 7 ARG NH1 N -15.376 8.198 -2.456 1.00 . A A . 6 ARG NH1 1 1
4 1727 1 1 7 ARG NH2 N -15.496 6.218 -3.574 1.00 . A A . 6 ARG NH2 1 1
4 1728 1 1 7 ARG O O -10.833 7.178 0.816 1.00 . A A . 6 ARG O 1 1
4 1729 1 1 8 ASP C C -10.890 9.685 2.730 1.00 . A A . 7 ASP C 1 1
4 1730 1 1 8 ASP CA C -11.144 9.996 1.255 1.00 . A A . 7 ASP CA 1 1
4 1731 1 1 8 ASP CB C -11.725 11.407 1.147 1.00 . A A . 7 ASP CB 1 1
4 1732 1 1 8 ASP CG C -11.669 11.872 -0.291 1.00 . A A . 7 ASP CG 1 1
4 1733 1 1 8 ASP H H -12.978 9.425 0.366 1.00 . A A . 7 ASP H 1 1
4 1734 1 1 8 ASP HA H -10.191 9.963 0.728 1.00 . A A . 7 ASP HA 1 1
4 1735 1 1 8 ASP HB2 H -12.762 11.414 1.492 1.00 . A A . 7 ASP HB2 1 1
4 1736 1 1 8 ASP HB3 H -11.157 12.096 1.772 1.00 . A A . 7 ASP HB3 1 1
4 1737 1 1 8 ASP N N -12.077 9.052 0.631 1.00 . A A . 7 ASP N 1 1
4 1738 1 1 8 ASP O O -9.933 10.198 3.301 1.00 . A A . 7 ASP O 1 1
4 1739 1 1 8 ASP OD1 O -12.556 11.491 -1.054 1.00 . A A . 7 ASP OD1 1 1
4 1740 1 1 8 ASP OD2 O -10.706 12.596 -0.630 1.00 . A A . 7 ASP OD2 1 1
4 1741 1 1 9 SER C C -10.431 7.576 5.057 1.00 . A A . 8 SER C 1 1
4 1742 1 1 9 SER CA C -11.690 8.370 4.701 1.00 . A A . 8 SER CA 1 1
4 1743 1 1 9 SER CB C -12.923 7.503 4.942 1.00 . A A . 8 SER CB 1 1
4 1744 1 1 9 SER H H -12.523 8.515 2.791 1.00 . A A . 8 SER H 1 1
4 1745 1 1 9 SER HA H -11.751 9.232 5.358 1.00 . A A . 8 SER HA 1 1
4 1746 1 1 9 SER HB2 H -12.835 6.575 4.377 1.00 . A A . 8 SER HB2 1 1
4 1747 1 1 9 SER HB3 H -13.005 7.272 6.003 1.00 . A A . 8 SER HB3 1 1
4 1748 1 1 9 SER HG H -14.843 7.639 4.698 1.00 . A A . 8 SER HG 1 1
4 1749 1 1 9 SER N N -11.735 8.841 3.328 1.00 . A A . 8 SER N 1 1
4 1750 1 1 9 SER O O -10.303 7.187 6.212 1.00 . A A . 8 SER O 1 1
4 1751 1 1 9 SER OG O -14.076 8.197 4.534 1.00 . A A . 8 SER OG 1 1
4 1752 1 1 10 GLY C C -7.283 7.374 3.259 1.00 . A A . 9 GLY C 1 1
4 1753 1 1 10 GLY CA C -8.198 6.784 4.339 1.00 . A A . 9 GLY CA 1 1
4 1754 1 1 10 GLY H H -9.681 7.660 3.165 1.00 . A A . 9 GLY H 1 1
4 1755 1 1 10 GLY HA2 H -7.836 7.052 5.331 1.00 . A A . 9 GLY HA2 1 1
4 1756 1 1 10 GLY HA3 H -8.262 5.699 4.293 1.00 . A A . 9 GLY HA3 1 1
4 1757 1 1 10 GLY N N -9.519 7.330 4.108 1.00 . A A . 9 GLY N 1 1
4 1758 1 1 10 GLY O O -7.141 8.588 3.197 1.00 . A A . 9 GLY O 1 1
4 1759 1 1 11 TYR C C -5.760 4.536 1.363 1.00 . A A . 10 TYR C 1 1
4 1760 1 1 11 TYR CA C -6.829 5.156 2.247 1.00 . A A . 10 TYR CA 1 1
4 1761 1 1 11 TYR CB C -8.202 4.834 1.637 1.00 . A A . 10 TYR CB 1 1
4 1762 1 1 11 TYR CD1 C -8.567 2.833 3.159 1.00 . A A . 10 TYR CD1 1 1
4 1763 1 1 11 TYR CD2 C -10.431 4.313 2.657 1.00 . A A . 10 TYR CD2 1 1
4 1764 1 1 11 TYR CE1 C -9.409 2.031 3.937 1.00 . A A . 10 TYR CE1 1 1
4 1765 1 1 11 TYR CE2 C -11.274 3.530 3.448 1.00 . A A . 10 TYR CE2 1 1
4 1766 1 1 11 TYR CG C -9.081 3.968 2.504 1.00 . A A . 10 TYR CG 1 1
4 1767 1 1 11 TYR CZ C -10.770 2.375 4.079 1.00 . A A . 10 TYR CZ 1 1
4 1768 1 1 11 TYR H H -6.211 7.021 1.597 1.00 . A A . 10 TYR H 1 1
4 1769 1 1 11 TYR HA H -6.744 4.720 3.241 1.00 . A A . 10 TYR HA 1 1
4 1770 1 1 11 TYR HB2 H -8.730 5.760 1.421 1.00 . A A . 10 TYR HB2 1 1
4 1771 1 1 11 TYR HB3 H -8.070 4.340 0.677 1.00 . A A . 10 TYR HB3 1 1
4 1772 1 1 11 TYR HD1 H -7.530 2.561 3.064 1.00 . A A . 10 TYR HD1 1 1
4 1773 1 1 11 TYR HD2 H -10.829 5.182 2.166 1.00 . A A . 10 TYR HD2 1 1
4 1774 1 1 11 TYR HE1 H -9.005 1.156 4.415 1.00 . A A . 10 TYR HE1 1 1
4 1775 1 1 11 TYR HE2 H -12.305 3.814 3.559 1.00 . A A . 10 TYR HE2 1 1
4 1776 1 1 11 TYR HH H -11.175 0.839 5.210 1.00 . A A . 10 TYR HH 1 1
4 1777 1 1 11 TYR N N -6.670 6.584 2.372 1.00 . A A . 10 TYR N 1 1
4 1778 1 1 11 TYR O O -5.386 5.060 0.316 1.00 . A A . 10 TYR O 1 1
4 1779 1 1 11 TYR OH O -11.603 1.610 4.828 1.00 . A A . 10 TYR OH 1 1
4 1780 1 1 12 GLU C C -5.686 1.046 1.301 1.00 . A A . 11 GLU C 1 1
4 1781 1 1 12 GLU CA C -4.931 2.300 0.855 1.00 . A A . 11 GLU CA 1 1
4 1782 1 1 12 GLU CB C -3.420 2.200 1.012 1.00 . A A . 11 GLU CB 1 1
4 1783 1 1 12 GLU CD C -1.468 0.769 0.396 1.00 . A A . 11 GLU CD 1 1
4 1784 1 1 12 GLU CG C -2.808 1.310 -0.070 1.00 . A A . 11 GLU CG 1 1
4 1785 1 1 12 GLU H H -5.697 2.997 2.655 1.00 . A A . 11 GLU H 1 1
4 1786 1 1 12 GLU HA H -5.180 2.567 -0.172 1.00 . A A . 11 GLU HA 1 1
4 1787 1 1 12 GLU HB2 H -2.979 3.195 0.936 1.00 . A A . 11 GLU HB2 1 1
4 1788 1 1 12 GLU HB3 H -3.198 1.807 2.005 1.00 . A A . 11 GLU HB3 1 1
4 1789 1 1 12 GLU HG2 H -3.473 0.474 -0.286 1.00 . A A . 11 GLU HG2 1 1
4 1790 1 1 12 GLU HG3 H -2.677 1.894 -0.979 1.00 . A A . 11 GLU HG3 1 1
4 1791 1 1 12 GLU N N -5.403 3.319 1.746 1.00 . A A . 11 GLU N 1 1
4 1792 1 1 12 GLU O O -5.251 0.346 2.218 1.00 . A A . 11 GLU O 1 1
4 1793 1 1 12 GLU OE1 O -0.741 1.493 1.091 1.00 . A A . 11 GLU OE1 1 1
4 1794 1 1 12 GLU OE2 O -1.203 -0.418 0.112 1.00 . A A . 11 GLU OE2 1 1
4 1795 1 1 13 VAL C C -7.335 -1.530 1.271 1.00 . A A . 12 VAL C 1 1
4 1796 1 1 13 VAL CA C -7.891 -0.121 1.121 1.00 . A A . 12 VAL CA 1 1
4 1797 1 1 13 VAL CB C -9.095 -0.093 0.147 1.00 . A A . 12 VAL CB 1 1
4 1798 1 1 13 VAL CG1 C -10.077 -1.264 0.351 1.00 . A A . 12 VAL CG1 1 1
4 1799 1 1 13 VAL CG2 C -9.898 1.197 0.343 1.00 . A A . 12 VAL CG2 1 1
4 1800 1 1 13 VAL H H -7.139 1.473 -0.029 1.00 . A A . 12 VAL H 1 1
4 1801 1 1 13 VAL HA H -8.253 0.195 2.094 1.00 . A A . 12 VAL HA 1 1
4 1802 1 1 13 VAL HB H -8.725 -0.131 -0.879 1.00 . A A . 12 VAL HB 1 1
4 1803 1 1 13 VAL HG11 H -10.366 -1.330 1.401 1.00 . A A . 12 VAL HG11 1 1
4 1804 1 1 13 VAL HG12 H -10.973 -1.116 -0.250 1.00 . A A . 12 VAL HG12 1 1
4 1805 1 1 13 VAL HG13 H -9.615 -2.201 0.040 1.00 . A A . 12 VAL HG13 1 1
4 1806 1 1 13 VAL HG21 H -9.260 2.067 0.223 1.00 . A A . 12 VAL HG21 1 1
4 1807 1 1 13 VAL HG22 H -10.692 1.240 -0.401 1.00 . A A . 12 VAL HG22 1 1
4 1808 1 1 13 VAL HG23 H -10.335 1.206 1.340 1.00 . A A . 12 VAL HG23 1 1
4 1809 1 1 13 VAL N N -6.865 0.833 0.699 1.00 . A A . 12 VAL N 1 1
4 1810 1 1 13 VAL O O -7.873 -2.292 2.066 1.00 . A A . 12 VAL O 1 1
4 1811 1 1 14 HIS C C -5.117 -3.625 1.903 1.00 . A A . 13 HIS C 1 1
4 1812 1 1 14 HIS CA C -5.713 -3.213 0.555 1.00 . A A . 13 HIS CA 1 1
4 1813 1 1 14 HIS CB C -4.658 -3.368 -0.546 1.00 . A A . 13 HIS CB 1 1
4 1814 1 1 14 HIS CD2 C -6.295 -2.689 -2.407 1.00 . A A . 13 HIS CD2 1 1
4 1815 1 1 14 HIS CE1 C -4.932 -1.583 -3.705 1.00 . A A . 13 HIS CE1 1 1
4 1816 1 1 14 HIS CG C -5.044 -2.751 -1.860 1.00 . A A . 13 HIS CG 1 1
4 1817 1 1 14 HIS H H -5.856 -1.200 -0.084 1.00 . A A . 13 HIS H 1 1
4 1818 1 1 14 HIS HA H -6.556 -3.861 0.337 1.00 . A A . 13 HIS HA 1 1
4 1819 1 1 14 HIS HB2 H -3.726 -2.910 -0.210 1.00 . A A . 13 HIS HB2 1 1
4 1820 1 1 14 HIS HB3 H -4.470 -4.428 -0.709 1.00 . A A . 13 HIS HB3 1 1
4 1821 1 1 14 HIS HD1 H -3.211 -1.920 -2.551 1.00 . A A . 13 HIS HD1 1 1
4 1822 1 1 14 HIS HD2 H -7.196 -3.094 -1.979 1.00 . A A . 13 HIS HD2 1 1
4 1823 1 1 14 HIS HE1 H -4.533 -1.005 -4.523 1.00 . A A . 13 HIS HE1 1 1
4 1824 1 1 14 HIS N N -6.260 -1.871 0.553 1.00 . A A . 13 HIS N 1 1
4 1825 1 1 14 HIS ND1 N -4.202 -2.058 -2.689 1.00 . A A . 13 HIS ND1 1 1
4 1826 1 1 14 HIS NE2 N -6.219 -1.942 -3.579 1.00 . A A . 13 HIS NE2 1 1
4 1827 1 1 14 HIS O O -4.875 -4.806 2.097 1.00 . A A . 13 HIS O 1 1
4 1828 1 1 15 HIS C C -5.576 -3.231 5.164 1.00 . A A . 14 HIS C 1 1
4 1829 1 1 15 HIS CA C -4.434 -3.028 4.182 1.00 . A A . 14 HIS CA 1 1
4 1830 1 1 15 HIS CB C -3.492 -1.941 4.687 1.00 . A A . 14 HIS CB 1 1
4 1831 1 1 15 HIS CD2 C -1.626 -0.989 3.243 1.00 . A A . 14 HIS CD2 1 1
4 1832 1 1 15 HIS CE1 C -0.350 -2.764 3.052 1.00 . A A . 14 HIS CE1 1 1
4 1833 1 1 15 HIS CG C -2.189 -1.994 3.962 1.00 . A A . 14 HIS CG 1 1
4 1834 1 1 15 HIS H H -5.100 -1.727 2.633 1.00 . A A . 14 HIS H 1 1
4 1835 1 1 15 HIS HA H -3.883 -3.968 4.157 1.00 . A A . 14 HIS HA 1 1
4 1836 1 1 15 HIS HB2 H -3.954 -0.960 4.569 1.00 . A A . 14 HIS HB2 1 1
4 1837 1 1 15 HIS HB3 H -3.278 -2.100 5.742 1.00 . A A . 14 HIS HB3 1 1
4 1838 1 1 15 HIS HD1 H -1.560 -4.012 4.210 1.00 . A A . 14 HIS HD1 1 1
4 1839 1 1 15 HIS HD2 H -2.043 -0.004 3.107 1.00 . A A . 14 HIS HD2 1 1
4 1840 1 1 15 HIS HE1 H 0.434 -3.434 2.738 1.00 . A A . 14 HIS HE1 1 1
4 1841 1 1 15 HIS N N -4.887 -2.695 2.835 1.00 . A A . 14 HIS N 1 1
4 1842 1 1 15 HIS ND1 N -1.380 -3.095 3.832 1.00 . A A . 14 HIS ND1 1 1
4 1843 1 1 15 HIS NE2 N -0.449 -1.485 2.686 1.00 . A A . 14 HIS NE2 1 1
4 1844 1 1 15 HIS O O -5.297 -3.574 6.303 1.00 . A A . 14 HIS O 1 1
4 1845 1 1 16 GLN C C -8.988 -4.147 5.064 1.00 . A A . 15 GLN C 1 1
4 1846 1 1 16 GLN CA C -7.998 -3.123 5.608 1.00 . A A . 15 GLN CA 1 1
4 1847 1 1 16 GLN CB C -8.615 -1.730 5.736 1.00 . A A . 15 GLN CB 1 1
4 1848 1 1 16 GLN CD C -8.315 0.526 6.899 1.00 . A A . 15 GLN CD 1 1
4 1849 1 1 16 GLN CG C -7.736 -0.859 6.652 1.00 . A A . 15 GLN CG 1 1
4 1850 1 1 16 GLN H H -6.999 -2.774 3.798 1.00 . A A . 15 GLN H 1 1
4 1851 1 1 16 GLN HA H -7.708 -3.456 6.596 1.00 . A A . 15 GLN HA 1 1
4 1852 1 1 16 GLN HB2 H -8.714 -1.265 4.754 1.00 . A A . 15 GLN HB2 1 1
4 1853 1 1 16 GLN HB3 H -9.604 -1.840 6.170 1.00 . A A . 15 GLN HB3 1 1
4 1854 1 1 16 GLN HE21 H -10.215 -0.178 7.053 1.00 . A A . 15 GLN HE21 1 1
4 1855 1 1 16 GLN HE22 H -10.020 1.550 7.248 1.00 . A A . 15 GLN HE22 1 1
4 1856 1 1 16 GLN HG2 H -7.624 -1.351 7.615 1.00 . A A . 15 GLN HG2 1 1
4 1857 1 1 16 GLN HG3 H -6.747 -0.743 6.208 1.00 . A A . 15 GLN HG3 1 1
4 1858 1 1 16 GLN N N -6.830 -3.029 4.756 1.00 . A A . 15 GLN N 1 1
4 1859 1 1 16 GLN NE2 N -9.619 0.634 7.115 1.00 . A A . 15 GLN NE2 1 1
4 1860 1 1 16 GLN O O -9.630 -4.830 5.849 1.00 . A A . 15 GLN O 1 1
4 1861 1 1 16 GLN OE1 O -7.592 1.512 6.893 1.00 . A A . 15 GLN OE1 1 1
4 1862 1 1 17 LYS C C -8.880 -6.015 2.013 1.00 . A A . 16 LYS C 1 1
4 1863 1 1 17 LYS CA C -9.796 -5.348 3.044 1.00 . A A . 16 LYS CA 1 1
4 1864 1 1 17 LYS CB C -11.040 -4.750 2.373 1.00 . A A . 16 LYS CB 1 1
4 1865 1 1 17 LYS CD C -13.342 -3.753 2.771 1.00 . A A . 16 LYS CD 1 1
4 1866 1 1 17 LYS CE C -14.127 -5.018 2.434 1.00 . A A . 16 LYS CE 1 1
4 1867 1 1 17 LYS CG C -11.995 -4.110 3.395 1.00 . A A . 16 LYS CG 1 1
4 1868 1 1 17 LYS H H -8.497 -3.696 3.167 1.00 . A A . 16 LYS H 1 1
4 1869 1 1 17 LYS HA H -10.120 -6.110 3.753 1.00 . A A . 16 LYS HA 1 1
4 1870 1 1 17 LYS HB2 H -10.739 -3.998 1.640 1.00 . A A . 16 LYS HB2 1 1
4 1871 1 1 17 LYS HB3 H -11.553 -5.552 1.846 1.00 . A A . 16 LYS HB3 1 1
4 1872 1 1 17 LYS HD2 H -13.914 -3.170 3.488 1.00 . A A . 16 LYS HD2 1 1
4 1873 1 1 17 LYS HD3 H -13.186 -3.150 1.875 1.00 . A A . 16 LYS HD3 1 1
4 1874 1 1 17 LYS HE2 H -13.569 -5.625 1.720 1.00 . A A . 16 LYS HE2 1 1
4 1875 1 1 17 LYS HE3 H -14.286 -5.596 3.344 1.00 . A A . 16 LYS HE3 1 1
4 1876 1 1 17 LYS HG2 H -12.165 -4.797 4.224 1.00 . A A . 16 LYS HG2 1 1
4 1877 1 1 17 LYS HG3 H -11.549 -3.195 3.785 1.00 . A A . 16 LYS HG3 1 1
4 1878 1 1 17 LYS HZ1 H -15.937 -5.526 1.638 1.00 . A A . 16 LYS HZ1 1 1
4 1879 1 1 17 LYS HZ2 H -15.966 -4.126 2.497 1.00 . A A . 16 LYS HZ2 1 1
4 1880 1 1 17 LYS HZ3 H -15.291 -4.161 0.992 1.00 . A A . 16 LYS HZ3 1 1
4 1881 1 1 17 LYS N N -9.059 -4.304 3.741 1.00 . A A . 16 LYS N 1 1
4 1882 1 1 17 LYS NZ N -15.425 -4.680 1.848 1.00 . A A . 16 LYS NZ 1 1
4 1883 1 1 17 LYS O O -7.812 -5.507 1.685 1.00 . A A . 16 LYS O 1 1
4 1884 1 1 18 NH2 HN1 H -8.713 -7.641 0.808 1.00 . A A . 17 NH2 HN1 1 1
4 1885 1 1 18 NH2 HN2 H -10.182 -7.552 1.755 1.00 . A A . 17 NH2 HN2 1 1
4 1886 1 1 18 NH2 N N -9.290 -7.164 1.484 1.00 . A A . 17 NH2 N 1 1
4 1887 2 1 1 ACE C C 9.999 6.028 -6.156 1.00 . B B . 0 ACE C 1 1
4 1888 2 1 1 ACE CH3 C 9.125 5.869 -4.929 1.00 . B B . 0 ACE CH3 1 1
4 1889 2 1 1 ACE H1 H 8.737 6.844 -4.639 1.00 . B B . 0 ACE H1 1 1
4 1890 2 1 1 ACE H2 H 8.296 5.203 -5.163 1.00 . B B . 0 ACE H2 1 1
4 1891 2 1 1 ACE H3 H 9.706 5.445 -4.113 1.00 . B B . 0 ACE H3 1 1
4 1892 2 1 1 ACE O O 9.480 5.968 -7.259 1.00 . B B . 0 ACE O 1 1
4 1893 2 1 2 ASP C C 12.713 4.966 -7.547 1.00 . B B . 1 ASP C 1 1
4 1894 2 1 2 ASP CA C 12.317 6.344 -7.002 1.00 . B B . 1 ASP CA 1 1
4 1895 2 1 2 ASP CB C 13.522 7.073 -6.400 1.00 . B B . 1 ASP CB 1 1
4 1896 2 1 2 ASP CG C 14.465 7.552 -7.479 1.00 . B B . 1 ASP CG 1 1
4 1897 2 1 2 ASP H H 11.644 6.259 -5.011 1.00 . B B . 1 ASP H 1 1
4 1898 2 1 2 ASP HA H 11.919 6.945 -7.821 1.00 . B B . 1 ASP HA 1 1
4 1899 2 1 2 ASP HB2 H 13.190 7.940 -5.834 1.00 . B B . 1 ASP HB2 1 1
4 1900 2 1 2 ASP HB3 H 14.059 6.411 -5.724 1.00 . B B . 1 ASP HB3 1 1
4 1901 2 1 2 ASP N N 11.305 6.226 -5.960 1.00 . B B . 1 ASP N 1 1
4 1902 2 1 2 ASP O O 12.446 3.955 -6.900 1.00 . B B . 1 ASP O 1 1
4 1903 2 1 2 ASP OD1 O 14.076 8.514 -8.176 1.00 . B B . 1 ASP OD1 1 1
4 1904 2 1 2 ASP OD2 O 15.541 6.965 -7.622 1.00 . B B . 1 ASP OD2 1 1
4 1905 2 1 3 ALA C C 14.477 2.710 -8.597 1.00 . B B . 2 ALA C 1 1
4 1906 2 1 3 ALA CA C 13.641 3.675 -9.432 1.00 . B B . 2 ALA CA 1 1
4 1907 2 1 3 ALA CB C 14.327 3.971 -10.767 1.00 . B B . 2 ALA CB 1 1
4 1908 2 1 3 ALA H H 13.580 5.783 -9.201 1.00 . B B . 2 ALA H 1 1
4 1909 2 1 3 ALA HA H 12.696 3.183 -9.641 1.00 . B B . 2 ALA HA 1 1
4 1910 2 1 3 ALA HB1 H 15.303 4.419 -10.599 1.00 . B B . 2 ALA HB1 1 1
4 1911 2 1 3 ALA HB2 H 14.466 3.038 -11.314 1.00 . B B . 2 ALA HB2 1 1
4 1912 2 1 3 ALA HB3 H 13.715 4.647 -11.362 1.00 . B B . 2 ALA HB3 1 1
4 1913 2 1 3 ALA N N 13.352 4.921 -8.728 1.00 . B B . 2 ALA N 1 1
4 1914 2 1 3 ALA O O 14.117 1.540 -8.510 1.00 . B B . 2 ALA O 1 1
4 1915 2 1 4 GLU C C 15.716 1.791 -5.864 1.00 . B B . 3 GLU C 1 1
4 1916 2 1 4 GLU CA C 16.408 2.364 -7.105 1.00 . B B . 3 GLU CA 1 1
4 1917 2 1 4 GLU CB C 17.658 3.151 -6.709 1.00 . B B . 3 GLU CB 1 1
4 1918 2 1 4 GLU CD C 18.527 5.044 -5.323 1.00 . B B . 3 GLU CD 1 1
4 1919 2 1 4 GLU CG C 17.290 4.386 -5.892 1.00 . B B . 3 GLU CG 1 1
4 1920 2 1 4 GLU H H 15.767 4.169 -8.029 1.00 . B B . 3 GLU H 1 1
4 1921 2 1 4 GLU HA H 16.730 1.515 -7.699 1.00 . B B . 3 GLU HA 1 1
4 1922 2 1 4 GLU HB2 H 18.309 2.509 -6.116 1.00 . B B . 3 GLU HB2 1 1
4 1923 2 1 4 GLU HB3 H 18.196 3.455 -7.606 1.00 . B B . 3 GLU HB3 1 1
4 1924 2 1 4 GLU HG2 H 16.758 5.087 -6.528 1.00 . B B . 3 GLU HG2 1 1
4 1925 2 1 4 GLU HG3 H 16.642 4.108 -5.066 1.00 . B B . 3 GLU HG3 1 1
4 1926 2 1 4 GLU N N 15.538 3.191 -7.940 1.00 . B B . 3 GLU N 1 1
4 1927 2 1 4 GLU O O 16.315 0.947 -5.210 1.00 . B B . 3 GLU O 1 1
4 1928 2 1 4 GLU OE1 O 19.189 5.771 -6.097 1.00 . B B . 3 GLU OE1 1 1
4 1929 2 1 4 GLU OE2 O 18.809 4.829 -4.135 1.00 . B B . 3 GLU OE2 1 1
4 1930 2 1 5 PHE C C 12.529 0.758 -5.065 1.00 . B B . 4 PHE C 1 1
4 1931 2 1 5 PHE CA C 13.635 1.645 -4.515 1.00 . B B . 4 PHE CA 1 1
4 1932 2 1 5 PHE CB C 13.028 2.751 -3.655 1.00 . B B . 4 PHE CB 1 1
4 1933 2 1 5 PHE CD1 C 14.482 2.709 -1.612 1.00 . B B . 4 PHE CD1 1 1
4 1934 2 1 5 PHE CD2 C 14.783 4.505 -3.223 1.00 . B B . 4 PHE CD2 1 1
4 1935 2 1 5 PHE CE1 C 15.550 3.208 -0.854 1.00 . B B . 4 PHE CE1 1 1
4 1936 2 1 5 PHE CE2 C 15.857 5.003 -2.471 1.00 . B B . 4 PHE CE2 1 1
4 1937 2 1 5 PHE CG C 14.090 3.368 -2.787 1.00 . B B . 4 PHE CG 1 1
4 1938 2 1 5 PHE CZ C 16.237 4.358 -1.280 1.00 . B B . 4 PHE CZ 1 1
4 1939 2 1 5 PHE H H 14.105 2.986 -6.089 1.00 . B B . 4 PHE H 1 1
4 1940 2 1 5 PHE HA H 14.243 1.011 -3.872 1.00 . B B . 4 PHE HA 1 1
4 1941 2 1 5 PHE HB2 H 12.557 3.508 -4.282 1.00 . B B . 4 PHE HB2 1 1
4 1942 2 1 5 PHE HB3 H 12.258 2.324 -3.010 1.00 . B B . 4 PHE HB3 1 1
4 1943 2 1 5 PHE HD1 H 13.986 1.796 -1.325 1.00 . B B . 4 PHE HD1 1 1
4 1944 2 1 5 PHE HD2 H 14.520 4.960 -4.163 1.00 . B B . 4 PHE HD2 1 1
4 1945 2 1 5 PHE HE1 H 15.857 2.691 0.040 1.00 . B B . 4 PHE HE1 1 1
4 1946 2 1 5 PHE HE2 H 16.406 5.862 -2.826 1.00 . B B . 4 PHE HE2 1 1
4 1947 2 1 5 PHE HZ H 17.081 4.724 -0.717 1.00 . B B . 4 PHE HZ 1 1
4 1948 2 1 5 PHE N N 14.488 2.225 -5.549 1.00 . B B . 4 PHE N 1 1
4 1949 2 1 5 PHE O O 12.134 -0.150 -4.340 1.00 . B B . 4 PHE O 1 1
4 1950 2 1 6 ARG C C 11.812 -1.214 -7.453 1.00 . B B . 5 ARG C 1 1
4 1951 2 1 6 ARG CA C 11.145 0.112 -7.045 1.00 . B B . 5 ARG CA 1 1
4 1952 2 1 6 ARG CB C 10.559 0.872 -8.255 1.00 . B B . 5 ARG CB 1 1
4 1953 2 1 6 ARG CD C 8.569 1.826 -6.881 1.00 . B B . 5 ARG CD 1 1
4 1954 2 1 6 ARG CG C 9.662 2.080 -7.926 1.00 . B B . 5 ARG CG 1 1
4 1955 2 1 6 ARG CZ C 6.414 0.538 -6.998 1.00 . B B . 5 ARG CZ 1 1
4 1956 2 1 6 ARG H H 12.463 1.752 -6.830 1.00 . B B . 5 ARG H 1 1
4 1957 2 1 6 ARG HA H 10.327 -0.154 -6.380 1.00 . B B . 5 ARG HA 1 1
4 1958 2 1 6 ARG HB2 H 11.383 1.212 -8.881 1.00 . B B . 5 ARG HB2 1 1
4 1959 2 1 6 ARG HB3 H 9.958 0.182 -8.847 1.00 . B B . 5 ARG HB3 1 1
4 1960 2 1 6 ARG HD2 H 9.037 1.659 -5.918 1.00 . B B . 5 ARG HD2 1 1
4 1961 2 1 6 ARG HD3 H 7.957 2.721 -6.800 1.00 . B B . 5 ARG HD3 1 1
4 1962 2 1 6 ARG HE H 8.216 -0.143 -7.585 1.00 . B B . 5 ARG HE 1 1
4 1963 2 1 6 ARG HG2 H 10.282 2.895 -7.562 1.00 . B B . 5 ARG HG2 1 1
4 1964 2 1 6 ARG HG3 H 9.188 2.418 -8.848 1.00 . B B . 5 ARG HG3 1 1
4 1965 2 1 6 ARG HH11 H 6.104 2.452 -6.381 1.00 . B B . 5 ARG HH11 1 1
4 1966 2 1 6 ARG HH12 H 4.681 1.434 -6.432 1.00 . B B . 5 ARG HH12 1 1
4 1967 2 1 6 ARG HH21 H 6.336 -1.395 -7.634 1.00 . B B . 5 ARG HH21 1 1
4 1968 2 1 6 ARG HH22 H 4.810 -0.703 -7.127 1.00 . B B . 5 ARG HH22 1 1
4 1969 2 1 6 ARG N N 12.081 0.970 -6.315 1.00 . B B . 5 ARG N 1 1
4 1970 2 1 6 ARG NE N 7.735 0.657 -7.201 1.00 . B B . 5 ARG NE 1 1
4 1971 2 1 6 ARG NH1 N 5.677 1.554 -6.553 1.00 . B B . 5 ARG NH1 1 1
4 1972 2 1 6 ARG NH2 N 5.808 -0.619 -7.263 1.00 . B B . 5 ARG NH2 1 1
4 1973 2 1 6 ARG O O 11.697 -1.644 -8.592 1.00 . B B . 5 ARG O 1 1
4 1974 2 1 7 ARG C C 12.316 -4.256 -6.160 1.00 . B B . 6 ARG C 1 1
4 1975 2 1 7 ARG CA C 13.224 -3.110 -6.604 1.00 . B B . 6 ARG CA 1 1
4 1976 2 1 7 ARG CB C 14.436 -3.065 -5.663 1.00 . B B . 6 ARG CB 1 1
4 1977 2 1 7 ARG CD C 16.072 -2.037 -7.368 1.00 . B B . 6 ARG CD 1 1
4 1978 2 1 7 ARG CG C 15.438 -1.950 -5.975 1.00 . B B . 6 ARG CG 1 1
4 1979 2 1 7 ARG CZ C 14.958 -1.524 -9.566 1.00 . B B . 6 ARG CZ 1 1
4 1980 2 1 7 ARG H H 12.605 -1.389 -5.622 1.00 . B B . 6 ARG H 1 1
4 1981 2 1 7 ARG HA H 13.563 -3.269 -7.623 1.00 . B B . 6 ARG HA 1 1
4 1982 2 1 7 ARG HB2 H 14.079 -2.917 -4.643 1.00 . B B . 6 ARG HB2 1 1
4 1983 2 1 7 ARG HB3 H 14.955 -4.020 -5.702 1.00 . B B . 6 ARG HB3 1 1
4 1984 2 1 7 ARG HD2 H 17.099 -1.682 -7.294 1.00 . B B . 6 ARG HD2 1 1
4 1985 2 1 7 ARG HD3 H 16.097 -3.074 -7.698 1.00 . B B . 6 ARG HD3 1 1
4 1986 2 1 7 ARG HE H 15.235 -0.216 -8.059 1.00 . B B . 6 ARG HE 1 1
4 1987 2 1 7 ARG HG2 H 14.937 -0.993 -5.860 1.00 . B B . 6 ARG HG2 1 1
4 1988 2 1 7 ARG HG3 H 16.237 -2.004 -5.236 1.00 . B B . 6 ARG HG3 1 1
4 1989 2 1 7 ARG HH11 H 15.539 -3.481 -9.508 1.00 . B B . 6 ARG HH11 1 1
4 1990 2 1 7 ARG HH12 H 14.781 -2.958 -10.993 1.00 . B B . 6 ARG HH12 1 1
4 1991 2 1 7 ARG HH21 H 14.295 0.346 -10.007 1.00 . B B . 6 ARG HH21 1 1
4 1992 2 1 7 ARG HH22 H 14.143 -0.825 -11.292 1.00 . B B . 6 ARG HH22 1 1
4 1993 2 1 7 ARG N N 12.528 -1.842 -6.516 1.00 . B B . 6 ARG N 1 1
4 1994 2 1 7 ARG NE N 15.371 -1.180 -8.337 1.00 . B B . 6 ARG NE 1 1
4 1995 2 1 7 ARG NH1 N 15.092 -2.759 -10.052 1.00 . B B . 6 ARG NH1 1 1
4 1996 2 1 7 ARG NH2 N 14.397 -0.600 -10.341 1.00 . B B . 6 ARG NH2 1 1
4 1997 2 1 7 ARG O O 11.341 -4.050 -5.442 1.00 . B B . 6 ARG O 1 1
4 1998 2 1 8 ASP C C 12.220 -7.032 -4.639 1.00 . B B . 7 ASP C 1 1
4 1999 2 1 8 ASP CA C 12.013 -6.699 -6.125 1.00 . B B . 7 ASP CA 1 1
4 2000 2 1 8 ASP CB C 12.536 -7.833 -7.009 1.00 . B B . 7 ASP CB 1 1
4 2001 2 1 8 ASP CG C 11.767 -9.118 -6.754 1.00 . B B . 7 ASP CG 1 1
4 2002 2 1 8 ASP H H 13.524 -5.584 -7.092 1.00 . B B . 7 ASP H 1 1
4 2003 2 1 8 ASP HA H 10.944 -6.574 -6.308 1.00 . B B . 7 ASP HA 1 1
4 2004 2 1 8 ASP HB2 H 12.419 -7.556 -8.057 1.00 . B B . 7 ASP HB2 1 1
4 2005 2 1 8 ASP HB3 H 13.597 -7.995 -6.809 1.00 . B B . 7 ASP HB3 1 1
4 2006 2 1 8 ASP N N 12.694 -5.481 -6.527 1.00 . B B . 7 ASP N 1 1
4 2007 2 1 8 ASP O O 11.359 -7.673 -4.045 1.00 . B B . 7 ASP O 1 1
4 2008 2 1 8 ASP OD1 O 10.621 -9.196 -7.232 1.00 . B B . 7 ASP OD1 1 1
4 2009 2 1 8 ASP OD2 O 12.292 -10.009 -6.079 1.00 . B B . 7 ASP OD2 1 1
4 2010 2 1 9 SER C C 12.772 -6.035 -1.713 1.00 . B B . 8 SER C 1 1
4 2011 2 1 9 SER CA C 13.649 -6.878 -2.637 1.00 . B B . 8 SER CA 1 1
4 2012 2 1 9 SER CB C 15.137 -6.643 -2.354 1.00 . B B . 8 SER CB 1 1
4 2013 2 1 9 SER H H 14.044 -6.144 -4.577 1.00 . B B . 8 SER H 1 1
4 2014 2 1 9 SER HA H 13.446 -7.925 -2.446 1.00 . B B . 8 SER HA 1 1
4 2015 2 1 9 SER HB2 H 15.432 -5.657 -2.716 1.00 . B B . 8 SER HB2 1 1
4 2016 2 1 9 SER HB3 H 15.311 -6.697 -1.281 1.00 . B B . 8 SER HB3 1 1
4 2017 2 1 9 SER HG H 16.295 -8.199 -2.292 1.00 . B B . 8 SER HG 1 1
4 2018 2 1 9 SER N N 13.338 -6.610 -4.033 1.00 . B B . 8 SER N 1 1
4 2019 2 1 9 SER O O 13.109 -4.898 -1.411 1.00 . B B . 8 SER O 1 1
4 2020 2 1 9 SER OG O 15.927 -7.630 -2.974 1.00 . B B . 8 SER OG 1 1
4 2021 2 1 10 GLY C C 9.352 -6.625 -0.778 1.00 . B B . 9 GLY C 1 1
4 2022 2 1 10 GLY CA C 10.688 -6.023 -0.351 1.00 . B B . 9 GLY CA 1 1
4 2023 2 1 10 GLY H H 11.363 -7.490 -1.656 1.00 . B B . 9 GLY H 1 1
4 2024 2 1 10 GLY HA2 H 10.906 -6.319 0.673 1.00 . B B . 9 GLY HA2 1 1
4 2025 2 1 10 GLY HA3 H 10.716 -4.938 -0.401 1.00 . B B . 9 GLY HA3 1 1
4 2026 2 1 10 GLY N N 11.656 -6.610 -1.254 1.00 . B B . 9 GLY N 1 1
4 2027 2 1 10 GLY O O 9.233 -7.844 -0.815 1.00 . B B . 9 GLY O 1 1
4 2028 2 1 11 TYR C C 6.809 -3.960 -1.315 1.00 . B B . 10 TYR C 1 1
4 2029 2 1 11 TYR CA C 8.243 -4.405 -1.053 1.00 . B B . 10 TYR CA 1 1
4 2030 2 1 11 TYR CB C 9.164 -3.700 -2.067 1.00 . B B . 10 TYR CB 1 1
4 2031 2 1 11 TYR CD1 C 9.644 -1.808 -0.423 1.00 . B B . 10 TYR CD1 1 1
4 2032 2 1 11 TYR CD2 C 11.364 -2.484 -2.003 1.00 . B B . 10 TYR CD2 1 1
4 2033 2 1 11 TYR CE1 C 10.517 -0.869 0.141 1.00 . B B . 10 TYR CE1 1 1
4 2034 2 1 11 TYR CE2 C 12.247 -1.548 -1.444 1.00 . B B . 10 TYR CE2 1 1
4 2035 2 1 11 TYR CG C 10.069 -2.634 -1.482 1.00 . B B . 10 TYR CG 1 1
4 2036 2 1 11 TYR CZ C 11.828 -0.740 -0.361 1.00 . B B . 10 TYR CZ 1 1
4 2037 2 1 11 TYR H H 7.580 -6.286 -1.638 1.00 . B B . 10 TYR H 1 1
4 2038 2 1 11 TYR HA H 8.525 -4.134 -0.035 1.00 . B B . 10 TYR HA 1 1
4 2039 2 1 11 TYR HB2 H 9.788 -4.437 -2.571 1.00 . B B . 10 TYR HB2 1 1
4 2040 2 1 11 TYR HB3 H 8.556 -3.245 -2.844 1.00 . B B . 10 TYR HB3 1 1
4 2041 2 1 11 TYR HD1 H 8.656 -1.897 -0.010 1.00 . B B . 10 TYR HD1 1 1
4 2042 2 1 11 TYR HD2 H 11.690 -3.106 -2.823 1.00 . B B . 10 TYR HD2 1 1
4 2043 2 1 11 TYR HE1 H 10.190 -0.270 0.974 1.00 . B B . 10 TYR HE1 1 1
4 2044 2 1 11 TYR HE2 H 13.244 -1.465 -1.838 1.00 . B B . 10 TYR HE2 1 1
4 2045 2 1 11 TYR HH H 13.562 0.111 -0.155 1.00 . B B . 10 TYR HH 1 1
4 2046 2 1 11 TYR N N 8.341 -5.844 -1.159 1.00 . B B . 10 TYR N 1 1
4 2047 2 1 11 TYR O O 6.131 -4.469 -2.202 1.00 . B B . 10 TYR O 1 1
4 2048 2 1 11 TYR OH O 12.681 0.141 0.227 1.00 . B B . 10 TYR OH 1 1
4 2049 2 1 12 GLU C C 6.098 -0.580 -0.845 1.00 . B B . 11 GLU C 1 1
4 2050 2 1 12 GLU CA C 5.463 -1.944 -1.118 1.00 . B B . 11 GLU CA 1 1
4 2051 2 1 12 GLU CB C 4.123 -2.130 -0.411 1.00 . B B . 11 GLU CB 1 1
4 2052 2 1 12 GLU CD C 1.913 -0.953 -0.201 1.00 . B B . 11 GLU CD 1 1
4 2053 2 1 12 GLU CG C 3.033 -1.347 -1.145 1.00 . B B . 11 GLU CG 1 1
4 2054 2 1 12 GLU H H 6.951 -2.619 0.184 1.00 . B B . 11 GLU H 1 1
4 2055 2 1 12 GLU HA H 5.332 -2.095 -2.189 1.00 . B B . 11 GLU HA 1 1
4 2056 2 1 12 GLU HB2 H 3.854 -3.186 -0.395 1.00 . B B . 11 GLU HB2 1 1
4 2057 2 1 12 GLU HB3 H 4.214 -1.787 0.619 1.00 . B B . 11 GLU HB3 1 1
4 2058 2 1 12 GLU HG2 H 3.458 -0.438 -1.572 1.00 . B B . 11 GLU HG2 1 1
4 2059 2 1 12 GLU HG3 H 2.633 -1.952 -1.957 1.00 . B B . 11 GLU HG3 1 1
4 2060 2 1 12 GLU N N 6.408 -2.906 -0.616 1.00 . B B . 11 GLU N 1 1
4 2061 2 1 12 GLU O O 5.956 -0.038 0.248 1.00 . B B . 11 GLU O 1 1
4 2062 2 1 12 GLU OE1 O 1.405 -1.837 0.523 1.00 . B B . 11 GLU OE1 1 1
4 2063 2 1 12 GLU OE2 O 1.591 0.241 -0.167 1.00 . B B . 11 GLU OE2 1 1
4 2064 2 1 13 VAL C C 6.932 2.368 -1.263 1.00 . B B . 12 VAL C 1 1
4 2065 2 1 13 VAL CA C 7.686 1.132 -1.742 1.00 . B B . 12 VAL CA 1 1
4 2066 2 1 13 VAL CB C 8.357 1.390 -3.104 1.00 . B B . 12 VAL CB 1 1
4 2067 2 1 13 VAL CG1 C 9.112 2.729 -3.187 1.00 . B B . 12 VAL CG1 1 1
4 2068 2 1 13 VAL CG2 C 9.378 0.284 -3.349 1.00 . B B . 12 VAL CG2 1 1
4 2069 2 1 13 VAL H H 6.877 -0.561 -2.706 1.00 . B B . 12 VAL H 1 1
4 2070 2 1 13 VAL HA H 8.465 0.915 -1.021 1.00 . B B . 12 VAL HA 1 1
4 2071 2 1 13 VAL HB H 7.604 1.364 -3.892 1.00 . B B . 12 VAL HB 1 1
4 2072 2 1 13 VAL HG11 H 9.692 2.786 -4.107 1.00 . B B . 12 VAL HG11 1 1
4 2073 2 1 13 VAL HG12 H 8.402 3.555 -3.184 1.00 . B B . 12 VAL HG12 1 1
4 2074 2 1 13 VAL HG13 H 9.789 2.829 -2.338 1.00 . B B . 12 VAL HG13 1 1
4 2075 2 1 13 VAL HG21 H 10.195 0.379 -2.633 1.00 . B B . 12 VAL HG21 1 1
4 2076 2 1 13 VAL HG22 H 8.928 -0.699 -3.251 1.00 . B B . 12 VAL HG22 1 1
4 2077 2 1 13 VAL HG23 H 9.750 0.383 -4.359 1.00 . B B . 12 VAL HG23 1 1
4 2078 2 1 13 VAL N N 6.833 -0.057 -1.833 1.00 . B B . 12 VAL N 1 1
4 2079 2 1 13 VAL O O 7.545 3.294 -0.754 1.00 . B B . 12 VAL O 1 1
4 2080 2 1 14 HIS C C 4.898 3.684 0.624 1.00 . B B . 13 HIS C 1 1
4 2081 2 1 14 HIS CA C 4.737 3.402 -0.876 1.00 . B B . 13 HIS CA 1 1
4 2082 2 1 14 HIS CB C 3.318 2.962 -1.231 1.00 . B B . 13 HIS CB 1 1
4 2083 2 1 14 HIS CD2 C 2.017 5.151 -0.891 1.00 . B B . 13 HIS CD2 1 1
4 2084 2 1 14 HIS CE1 C 0.305 4.382 0.244 1.00 . B B . 13 HIS CE1 1 1
4 2085 2 1 14 HIS CG C 2.203 3.811 -0.699 1.00 . B B . 13 HIS CG 1 1
4 2086 2 1 14 HIS H H 5.168 1.585 -1.841 1.00 . B B . 13 HIS H 1 1
4 2087 2 1 14 HIS HA H 5.000 4.303 -1.416 1.00 . B B . 13 HIS HA 1 1
4 2088 2 1 14 HIS HB2 H 3.218 2.922 -2.315 1.00 . B B . 13 HIS HB2 1 1
4 2089 2 1 14 HIS HB3 H 3.185 1.954 -0.849 1.00 . B B . 13 HIS HB3 1 1
4 2090 2 1 14 HIS HD1 H 0.969 2.395 0.304 1.00 . B B . 13 HIS HD1 1 1
4 2091 2 1 14 HIS HD2 H 2.678 5.815 -1.429 1.00 . B B . 13 HIS HD2 1 1
4 2092 2 1 14 HIS HE1 H -0.632 4.314 0.778 1.00 . B B . 13 HIS HE1 1 1
4 2093 2 1 14 HIS N N 5.607 2.366 -1.372 1.00 . B B . 13 HIS N 1 1
4 2094 2 1 14 HIS ND1 N 1.130 3.351 0.018 1.00 . B B . 13 HIS ND1 1 1
4 2095 2 1 14 HIS NE2 N 0.801 5.503 -0.295 1.00 . B B . 13 HIS NE2 1 1
4 2096 2 1 14 HIS O O 4.549 4.779 1.046 1.00 . B B . 13 HIS O 1 1
4 2097 2 1 15 HIS C C 7.198 3.113 3.178 1.00 . B B . 14 HIS C 1 1
4 2098 2 1 15 HIS CA C 5.707 2.987 2.848 1.00 . B B . 14 HIS CA 1 1
4 2099 2 1 15 HIS CB C 5.061 1.863 3.668 1.00 . B B . 14 HIS CB 1 1
4 2100 2 1 15 HIS CD2 C 3.000 0.740 2.672 1.00 . B B . 14 HIS CD2 1 1
4 2101 2 1 15 HIS CE1 C 1.462 2.190 3.242 1.00 . B B . 14 HIS CE1 1 1
4 2102 2 1 15 HIS CG C 3.595 1.726 3.402 1.00 . B B . 14 HIS CG 1 1
4 2103 2 1 15 HIS H H 5.725 1.871 1.032 1.00 . B B . 14 HIS H 1 1
4 2104 2 1 15 HIS HA H 5.241 3.921 3.160 1.00 . B B . 14 HIS HA 1 1
4 2105 2 1 15 HIS HB2 H 5.549 0.920 3.441 1.00 . B B . 14 HIS HB2 1 1
4 2106 2 1 15 HIS HB3 H 5.189 2.058 4.731 1.00 . B B . 14 HIS HB3 1 1
4 2107 2 1 15 HIS HD1 H 2.755 3.476 4.279 1.00 . B B . 14 HIS HD1 1 1
4 2108 2 1 15 HIS HD2 H 3.506 -0.094 2.213 1.00 . B B . 14 HIS HD2 1 1
4 2109 2 1 15 HIS HE1 H 0.519 2.708 3.320 1.00 . B B . 14 HIS HE1 1 1
4 2110 2 1 15 HIS N N 5.450 2.762 1.425 1.00 . B B . 14 HIS N 1 1
4 2111 2 1 15 HIS ND1 N 2.620 2.623 3.757 1.00 . B B . 14 HIS ND1 1 1
4 2112 2 1 15 HIS NE2 N 1.643 1.042 2.577 1.00 . B B . 14 HIS NE2 1 1
4 2113 2 1 15 HIS O O 7.518 3.177 4.358 1.00 . B B . 14 HIS O 1 1
4 2114 2 1 16 GLN C C 10.106 4.123 3.325 1.00 . B B . 15 GLN C 1 1
4 2115 2 1 16 GLN CA C 9.547 3.026 2.420 1.00 . B B . 15 GLN CA 1 1
4 2116 2 1 16 GLN CB C 10.319 2.921 1.093 1.00 . B B . 15 GLN CB 1 1
4 2117 2 1 16 GLN CD C 9.798 5.179 -0.120 1.00 . B B . 15 GLN CD 1 1
4 2118 2 1 16 GLN CG C 10.843 4.197 0.407 1.00 . B B . 15 GLN CG 1 1
4 2119 2 1 16 GLN H H 7.802 3.149 1.231 1.00 . B B . 15 GLN H 1 1
4 2120 2 1 16 GLN HA H 9.687 2.076 2.935 1.00 . B B . 15 GLN HA 1 1
4 2121 2 1 16 GLN HB2 H 11.210 2.343 1.325 1.00 . B B . 15 GLN HB2 1 1
4 2122 2 1 16 GLN HB3 H 9.734 2.344 0.384 1.00 . B B . 15 GLN HB3 1 1
4 2123 2 1 16 GLN HE21 H 10.937 5.658 -1.733 1.00 . B B . 15 GLN HE21 1 1
4 2124 2 1 16 GLN HE22 H 9.403 6.494 -1.603 1.00 . B B . 15 GLN HE22 1 1
4 2125 2 1 16 GLN HG2 H 11.489 4.732 1.099 1.00 . B B . 15 GLN HG2 1 1
4 2126 2 1 16 GLN HG3 H 11.457 3.876 -0.435 1.00 . B B . 15 GLN HG3 1 1
4 2127 2 1 16 GLN N N 8.109 3.138 2.191 1.00 . B B . 15 GLN N 1 1
4 2128 2 1 16 GLN NE2 N 10.067 5.821 -1.249 1.00 . B B . 15 GLN NE2 1 1
4 2129 2 1 16 GLN O O 10.945 3.820 4.161 1.00 . B B . 15 GLN O 1 1
4 2130 2 1 16 GLN OE1 O 8.763 5.400 0.485 1.00 . B B . 15 GLN OE1 1 1
4 2131 2 1 17 LYS C C 9.469 6.410 5.444 1.00 . B B . 16 LYS C 1 1
4 2132 2 1 17 LYS CA C 9.930 6.536 3.985 1.00 . B B . 16 LYS CA 1 1
4 2133 2 1 17 LYS CB C 9.250 7.764 3.352 1.00 . B B . 16 LYS CB 1 1
4 2134 2 1 17 LYS CD C 9.113 9.362 1.414 1.00 . B B . 16 LYS CD 1 1
4 2135 2 1 17 LYS CE C 9.662 9.751 0.043 1.00 . B B . 16 LYS CE 1 1
4 2136 2 1 17 LYS CG C 9.962 8.276 2.092 1.00 . B B . 16 LYS CG 1 1
4 2137 2 1 17 LYS H H 8.973 5.487 2.411 1.00 . B B . 16 LYS H 1 1
4 2138 2 1 17 LYS HA H 11.011 6.690 3.983 1.00 . B B . 16 LYS HA 1 1
4 2139 2 1 17 LYS HB2 H 8.216 7.512 3.114 1.00 . B B . 16 LYS HB2 1 1
4 2140 2 1 17 LYS HB3 H 9.234 8.575 4.080 1.00 . B B . 16 LYS HB3 1 1
4 2141 2 1 17 LYS HD2 H 8.102 8.983 1.270 1.00 . B B . 16 LYS HD2 1 1
4 2142 2 1 17 LYS HD3 H 9.062 10.245 2.050 1.00 . B B . 16 LYS HD3 1 1
4 2143 2 1 17 LYS HE2 H 9.825 8.854 -0.553 1.00 . B B . 16 LYS HE2 1 1
4 2144 2 1 17 LYS HE3 H 8.933 10.383 -0.461 1.00 . B B . 16 LYS HE3 1 1
4 2145 2 1 17 LYS HG2 H 10.935 8.683 2.367 1.00 . B B . 16 LYS HG2 1 1
4 2146 2 1 17 LYS HG3 H 10.114 7.456 1.395 1.00 . B B . 16 LYS HG3 1 1
4 2147 2 1 17 LYS HZ1 H 11.195 10.825 -0.771 1.00 . B B . 16 LYS HZ1 1 1
4 2148 2 1 17 LYS HZ2 H 10.790 11.299 0.748 1.00 . B B . 16 LYS HZ2 1 1
4 2149 2 1 17 LYS HZ3 H 11.642 9.908 0.522 1.00 . B B . 16 LYS HZ3 1 1
4 2150 2 1 17 LYS N N 9.608 5.357 3.183 1.00 . B B . 16 LYS N 1 1
4 2151 2 1 17 LYS NZ N 10.916 10.500 0.143 1.00 . B B . 16 LYS NZ 1 1
4 2152 2 1 17 LYS O O 10.016 7.090 6.302 1.00 . B B . 16 LYS O 1 1
4 2153 2 1 18 NH2 HN1 H 8.068 4.994 5.032 1.00 . B B . 17 NH2 HN1 1 1
4 2154 2 1 18 NH2 HN2 H 8.179 5.478 6.711 1.00 . B B . 17 NH2 HN2 1 1
4 2155 2 1 18 NH2 N N 8.485 5.565 5.753 1.00 . B B . 17 NH2 N 1 1
4 2156 3 2 1 ZN ZN ZN 0.430 -0.170 1.405 1.00 . C A . 101 ZN ZN 1 1
5 2157 1 1 1 ACE C C -13.041 -4.159 -1.071 1.00 . A A . 0 ACE C 1 1
5 2158 1 1 1 ACE CH3 C -11.581 -4.491 -0.826 1.00 . A A . 0 ACE CH3 1 1
5 2159 1 1 1 ACE H1 H -11.160 -3.768 -0.132 1.00 . A A . 0 ACE H1 1 1
5 2160 1 1 1 ACE H2 H -11.500 -5.488 -0.399 1.00 . A A . 0 ACE H2 1 1
5 2161 1 1 1 ACE H3 H -11.027 -4.452 -1.764 1.00 . A A . 0 ACE H3 1 1
5 2162 1 1 1 ACE O O -13.421 -3.901 -2.208 1.00 . A A . 0 ACE O 1 1
5 2163 1 1 2 ASP C C -15.555 -2.399 -0.189 1.00 . A A . 1 ASP C 1 1
5 2164 1 1 2 ASP CA C -15.293 -3.902 -0.100 1.00 . A A . 1 ASP CA 1 1
5 2165 1 1 2 ASP CB C -16.029 -4.506 1.100 1.00 . A A . 1 ASP CB 1 1
5 2166 1 1 2 ASP CG C -15.755 -5.994 1.236 1.00 . A A . 1 ASP CG 1 1
5 2167 1 1 2 ASP H H -13.488 -4.400 0.894 1.00 . A A . 1 ASP H 1 1
5 2168 1 1 2 ASP HA H -15.676 -4.380 -1.001 1.00 . A A . 1 ASP HA 1 1
5 2169 1 1 2 ASP HB2 H -15.735 -3.999 2.014 1.00 . A A . 1 ASP HB2 1 1
5 2170 1 1 2 ASP HB3 H -17.102 -4.359 0.968 1.00 . A A . 1 ASP HB3 1 1
5 2171 1 1 2 ASP N N -13.861 -4.176 -0.016 1.00 . A A . 1 ASP N 1 1
5 2172 1 1 2 ASP O O -14.777 -1.601 0.332 1.00 . A A . 1 ASP O 1 1
5 2173 1 1 2 ASP OD1 O -16.468 -6.771 0.597 1.00 . A A . 1 ASP OD1 1 1
5 2174 1 1 2 ASP OD2 O -14.810 -6.351 1.981 1.00 . A A . 1 ASP OD2 1 1
5 2175 1 1 3 ALA C C -17.163 0.182 0.137 1.00 . A A . 2 ALA C 1 1
5 2176 1 1 3 ALA CA C -17.077 -0.665 -1.122 1.00 . A A . 2 ALA CA 1 1
5 2177 1 1 3 ALA CB C -18.428 -0.671 -1.842 1.00 . A A . 2 ALA CB 1 1
5 2178 1 1 3 ALA H H -17.264 -2.766 -1.208 1.00 . A A . 2 ALA H 1 1
5 2179 1 1 3 ALA HA H -16.339 -0.213 -1.779 1.00 . A A . 2 ALA HA 1 1
5 2180 1 1 3 ALA HB1 H -18.348 -1.228 -2.774 1.00 . A A . 2 ALA HB1 1 1
5 2181 1 1 3 ALA HB2 H -19.186 -1.131 -1.210 1.00 . A A . 2 ALA HB2 1 1
5 2182 1 1 3 ALA HB3 H -18.725 0.355 -2.058 1.00 . A A . 2 ALA HB3 1 1
5 2183 1 1 3 ALA N N -16.673 -2.037 -0.835 1.00 . A A . 2 ALA N 1 1
5 2184 1 1 3 ALA O O -16.709 1.317 0.123 1.00 . A A . 2 ALA O 1 1
5 2185 1 1 4 GLU C C -16.462 0.783 3.070 1.00 . A A . 3 GLU C 1 1
5 2186 1 1 4 GLU CA C -17.792 0.266 2.525 1.00 . A A . 3 GLU CA 1 1
5 2187 1 1 4 GLU CB C -18.435 -0.696 3.525 1.00 . A A . 3 GLU CB 1 1
5 2188 1 1 4 GLU CD C -18.245 -2.982 4.612 1.00 . A A . 3 GLU CD 1 1
5 2189 1 1 4 GLU CG C -17.579 -1.948 3.729 1.00 . A A . 3 GLU CG 1 1
5 2190 1 1 4 GLU H H -18.010 -1.335 1.164 1.00 . A A . 3 GLU H 1 1
5 2191 1 1 4 GLU HA H -18.449 1.125 2.420 1.00 . A A . 3 GLU HA 1 1
5 2192 1 1 4 GLU HB2 H -18.553 -0.180 4.478 1.00 . A A . 3 GLU HB2 1 1
5 2193 1 1 4 GLU HB3 H -19.421 -0.987 3.168 1.00 . A A . 3 GLU HB3 1 1
5 2194 1 1 4 GLU HG2 H -17.369 -2.409 2.762 1.00 . A A . 3 GLU HG2 1 1
5 2195 1 1 4 GLU HG3 H -16.646 -1.652 4.196 1.00 . A A . 3 GLU HG3 1 1
5 2196 1 1 4 GLU N N -17.680 -0.383 1.229 1.00 . A A . 3 GLU N 1 1
5 2197 1 1 4 GLU O O -16.516 1.670 3.907 1.00 . A A . 3 GLU O 1 1
5 2198 1 1 4 GLU OE1 O -18.812 -2.578 5.651 1.00 . A A . 3 GLU OE1 1 1
5 2199 1 1 4 GLU OE2 O -18.188 -4.167 4.272 1.00 . A A . 3 GLU OE2 1 1
5 2200 1 1 5 PHE C C -13.308 1.603 1.941 1.00 . A A . 4 PHE C 1 1
5 2201 1 1 5 PHE CA C -13.970 0.718 2.987 1.00 . A A . 4 PHE CA 1 1
5 2202 1 1 5 PHE CB C -13.068 -0.488 3.252 1.00 . A A . 4 PHE CB 1 1
5 2203 1 1 5 PHE CD1 C -13.822 -0.954 5.602 1.00 . A A . 4 PHE CD1 1 1
5 2204 1 1 5 PHE CD2 C -14.139 -2.665 3.903 1.00 . A A . 4 PHE CD2 1 1
5 2205 1 1 5 PHE CE1 C -14.486 -1.759 6.539 1.00 . A A . 4 PHE CE1 1 1
5 2206 1 1 5 PHE CE2 C -14.818 -3.467 4.835 1.00 . A A . 4 PHE CE2 1 1
5 2207 1 1 5 PHE CG C -13.654 -1.408 4.286 1.00 . A A . 4 PHE CG 1 1
5 2208 1 1 5 PHE CZ C -15.000 -3.009 6.151 1.00 . A A . 4 PHE CZ 1 1
5 2209 1 1 5 PHE H H -15.367 -0.484 1.935 1.00 . A A . 4 PHE H 1 1
5 2210 1 1 5 PHE HA H -14.041 1.303 3.902 1.00 . A A . 4 PHE HA 1 1
5 2211 1 1 5 PHE HB2 H -12.913 -1.033 2.320 1.00 . A A . 4 PHE HB2 1 1
5 2212 1 1 5 PHE HB3 H -12.096 -0.144 3.608 1.00 . A A . 4 PHE HB3 1 1
5 2213 1 1 5 PHE HD1 H -13.466 0.028 5.875 1.00 . A A . 4 PHE HD1 1 1
5 2214 1 1 5 PHE HD2 H -14.029 -2.979 2.879 1.00 . A A . 4 PHE HD2 1 1
5 2215 1 1 5 PHE HE1 H -14.607 -1.408 7.550 1.00 . A A . 4 PHE HE1 1 1
5 2216 1 1 5 PHE HE2 H -15.238 -4.409 4.528 1.00 . A A . 4 PHE HE2 1 1
5 2217 1 1 5 PHE HZ H -15.539 -3.619 6.860 1.00 . A A . 4 PHE HZ 1 1
5 2218 1 1 5 PHE N N -15.311 0.268 2.607 1.00 . A A . 4 PHE N 1 1
5 2219 1 1 5 PHE O O -12.319 2.247 2.275 1.00 . A A . 4 PHE O 1 1
5 2220 1 1 6 ARG C C -13.815 4.027 -0.059 1.00 . A A . 5 ARG C 1 1
5 2221 1 1 6 ARG CA C -13.382 2.571 -0.343 1.00 . A A . 5 ARG CA 1 1
5 2222 1 1 6 ARG CB C -13.876 2.058 -1.709 1.00 . A A . 5 ARG CB 1 1
5 2223 1 1 6 ARG CD C -12.027 0.221 -1.844 1.00 . A A . 5 ARG CD 1 1
5 2224 1 1 6 ARG CG C -13.497 0.607 -2.061 1.00 . A A . 5 ARG CG 1 1
5 2225 1 1 6 ARG CZ C -10.883 1.198 -3.837 1.00 . A A . 5 ARG CZ 1 1
5 2226 1 1 6 ARG H H -14.652 1.107 0.505 1.00 . A A . 5 ARG H 1 1
5 2227 1 1 6 ARG HA H -12.292 2.552 -0.350 1.00 . A A . 5 ARG HA 1 1
5 2228 1 1 6 ARG HB2 H -14.963 2.136 -1.735 1.00 . A A . 5 ARG HB2 1 1
5 2229 1 1 6 ARG HB3 H -13.476 2.708 -2.487 1.00 . A A . 5 ARG HB3 1 1
5 2230 1 1 6 ARG HD2 H -11.820 0.221 -0.779 1.00 . A A . 5 ARG HD2 1 1
5 2231 1 1 6 ARG HD3 H -11.861 -0.793 -2.207 1.00 . A A . 5 ARG HD3 1 1
5 2232 1 1 6 ARG HE H -10.612 1.804 -1.931 1.00 . A A . 5 ARG HE 1 1
5 2233 1 1 6 ARG HG2 H -14.107 -0.067 -1.471 1.00 . A A . 5 ARG HG2 1 1
5 2234 1 1 6 ARG HG3 H -13.751 0.436 -3.104 1.00 . A A . 5 ARG HG3 1 1
5 2235 1 1 6 ARG HH11 H -12.108 -0.345 -4.346 1.00 . A A . 5 ARG HH11 1 1
5 2236 1 1 6 ARG HH12 H -11.302 0.448 -5.680 1.00 . A A . 5 ARG HH12 1 1
5 2237 1 1 6 ARG HH21 H -9.609 2.776 -3.711 1.00 . A A . 5 ARG HH21 1 1
5 2238 1 1 6 ARG HH22 H -9.913 2.180 -5.325 1.00 . A A . 5 ARG HH22 1 1
5 2239 1 1 6 ARG N N -13.843 1.675 0.714 1.00 . A A . 5 ARG N 1 1
5 2240 1 1 6 ARG NE N -11.100 1.142 -2.516 1.00 . A A . 5 ARG NE 1 1
5 2241 1 1 6 ARG NH1 N -11.479 0.366 -4.689 1.00 . A A . 5 ARG NH1 1 1
5 2242 1 1 6 ARG NH2 N -10.057 2.116 -4.329 1.00 . A A . 5 ARG NH2 1 1
5 2243 1 1 6 ARG O O -14.295 4.726 -0.946 1.00 . A A . 5 ARG O 1 1
5 2244 1 1 7 ARG C C -13.057 6.829 1.603 1.00 . A A . 6 ARG C 1 1
5 2245 1 1 7 ARG CA C -14.128 5.748 1.721 1.00 . A A . 6 ARG CA 1 1
5 2246 1 1 7 ARG CB C -14.506 5.582 3.198 1.00 . A A . 6 ARG CB 1 1
5 2247 1 1 7 ARG CD C -16.917 4.670 2.805 1.00 . A A . 6 ARG CD 1 1
5 2248 1 1 7 ARG CG C -15.547 4.493 3.473 1.00 . A A . 6 ARG CG 1 1
5 2249 1 1 7 ARG CZ C -17.263 4.610 0.306 1.00 . A A . 6 ARG CZ 1 1
5 2250 1 1 7 ARG H H -13.294 3.836 1.878 1.00 . A A . 6 ARG H 1 1
5 2251 1 1 7 ARG HA H -15.008 6.049 1.169 1.00 . A A . 6 ARG HA 1 1
5 2252 1 1 7 ARG HB2 H -13.605 5.322 3.756 1.00 . A A . 6 ARG HB2 1 1
5 2253 1 1 7 ARG HB3 H -14.879 6.529 3.584 1.00 . A A . 6 ARG HB3 1 1
5 2254 1 1 7 ARG HD2 H -17.662 4.187 3.437 1.00 . A A . 6 ARG HD2 1 1
5 2255 1 1 7 ARG HD3 H -17.176 5.721 2.751 1.00 . A A . 6 ARG HD3 1 1
5 2256 1 1 7 ARG HE H -16.884 3.021 1.487 1.00 . A A . 6 ARG HE 1 1
5 2257 1 1 7 ARG HG2 H -15.118 3.540 3.177 1.00 . A A . 6 ARG HG2 1 1
5 2258 1 1 7 ARG HG3 H -15.710 4.462 4.548 1.00 . A A . 6 ARG HG3 1 1
5 2259 1 1 7 ARG HH11 H -17.205 6.539 0.944 1.00 . A A . 6 ARG HH11 1 1
5 2260 1 1 7 ARG HH12 H -17.585 6.316 -0.749 1.00 . A A . 6 ARG HH12 1 1
5 2261 1 1 7 ARG HH21 H -17.428 2.849 -0.689 1.00 . A A . 6 ARG HH21 1 1
5 2262 1 1 7 ARG HH22 H -17.677 4.280 -1.657 1.00 . A A . 6 ARG HH22 1 1
5 2263 1 1 7 ARG N N -13.675 4.472 1.196 1.00 . A A . 6 ARG N 1 1
5 2264 1 1 7 ARG NE N -16.991 4.025 1.484 1.00 . A A . 6 ARG NE 1 1
5 2265 1 1 7 ARG NH1 N -17.374 5.929 0.161 1.00 . A A . 6 ARG NH1 1 1
5 2266 1 1 7 ARG NH2 N -17.434 3.855 -0.775 1.00 . A A . 6 ARG NH2 1 1
5 2267 1 1 7 ARG O O -11.863 6.548 1.693 1.00 . A A . 6 ARG O 1 1
5 2268 1 1 8 ASP C C -11.804 9.399 2.812 1.00 . A A . 7 ASP C 1 1
5 2269 1 1 8 ASP CA C -12.597 9.248 1.507 1.00 . A A . 7 ASP CA 1 1
5 2270 1 1 8 ASP CB C -13.376 10.510 1.148 1.00 . A A . 7 ASP CB 1 1
5 2271 1 1 8 ASP CG C -14.309 11.000 2.248 1.00 . A A . 7 ASP CG 1 1
5 2272 1 1 8 ASP H H -14.484 8.264 1.463 1.00 . A A . 7 ASP H 1 1
5 2273 1 1 8 ASP HA H -11.878 9.094 0.714 1.00 . A A . 7 ASP HA 1 1
5 2274 1 1 8 ASP HB2 H -12.652 11.286 0.921 1.00 . A A . 7 ASP HB2 1 1
5 2275 1 1 8 ASP HB3 H -13.965 10.313 0.255 1.00 . A A . 7 ASP HB3 1 1
5 2276 1 1 8 ASP N N -13.490 8.090 1.507 1.00 . A A . 7 ASP N 1 1
5 2277 1 1 8 ASP O O -10.812 10.114 2.861 1.00 . A A . 7 ASP O 1 1
5 2278 1 1 8 ASP OD1 O -15.308 10.305 2.505 1.00 . A A . 7 ASP OD1 1 1
5 2279 1 1 8 ASP OD2 O -14.036 12.072 2.815 1.00 . A A . 7 ASP OD2 1 1
5 2280 1 1 9 SER C C -10.090 8.071 5.075 1.00 . A A . 8 SER C 1 1
5 2281 1 1 9 SER CA C -11.555 8.518 5.133 1.00 . A A . 8 SER CA 1 1
5 2282 1 1 9 SER CB C -12.302 7.451 5.933 1.00 . A A . 8 SER CB 1 1
5 2283 1 1 9 SER H H -13.070 8.155 3.719 1.00 . A A . 8 SER H 1 1
5 2284 1 1 9 SER HA H -11.616 9.469 5.658 1.00 . A A . 8 SER HA 1 1
5 2285 1 1 9 SER HB2 H -12.135 6.481 5.463 1.00 . A A . 8 SER HB2 1 1
5 2286 1 1 9 SER HB3 H -11.919 7.424 6.953 1.00 . A A . 8 SER HB3 1 1
5 2287 1 1 9 SER HG H -14.120 6.927 6.318 1.00 . A A . 8 SER HG 1 1
5 2288 1 1 9 SER N N -12.211 8.664 3.845 1.00 . A A . 8 SER N 1 1
5 2289 1 1 9 SER O O -9.436 8.147 6.107 1.00 . A A . 8 SER O 1 1
5 2290 1 1 9 SER OG O -13.684 7.708 5.962 1.00 . A A . 8 SER OG 1 1
5 2291 1 1 10 GLY C C -7.761 7.370 2.362 1.00 . A A . 9 GLY C 1 1
5 2292 1 1 10 GLY CA C -8.206 7.121 3.805 1.00 . A A . 9 GLY CA 1 1
5 2293 1 1 10 GLY H H -10.122 7.537 3.092 1.00 . A A . 9 GLY H 1 1
5 2294 1 1 10 GLY HA2 H -7.548 7.645 4.496 1.00 . A A . 9 GLY HA2 1 1
5 2295 1 1 10 GLY HA3 H -8.180 6.064 4.065 1.00 . A A . 9 GLY HA3 1 1
5 2296 1 1 10 GLY N N -9.573 7.575 3.940 1.00 . A A . 9 GLY N 1 1
5 2297 1 1 10 GLY O O -7.949 8.465 1.849 1.00 . A A . 9 GLY O 1 1
5 2298 1 1 11 TYR C C -6.206 4.226 1.079 1.00 . A A . 10 TYR C 1 1
5 2299 1 1 11 TYR CA C -7.140 4.999 2.001 1.00 . A A . 10 TYR CA 1 1
5 2300 1 1 11 TYR CB C -8.550 4.410 1.871 1.00 . A A . 10 TYR CB 1 1
5 2301 1 1 11 TYR CD1 C -8.215 2.704 3.705 1.00 . A A . 10 TYR CD1 1 1
5 2302 1 1 11 TYR CD2 C -10.290 3.967 3.631 1.00 . A A . 10 TYR CD2 1 1
5 2303 1 1 11 TYR CE1 C -8.688 1.968 4.789 1.00 . A A . 10 TYR CE1 1 1
5 2304 1 1 11 TYR CE2 C -10.773 3.233 4.724 1.00 . A A . 10 TYR CE2 1 1
5 2305 1 1 11 TYR CG C -9.022 3.684 3.104 1.00 . A A . 10 TYR CG 1 1
5 2306 1 1 11 TYR CZ C -9.975 2.213 5.295 1.00 . A A . 10 TYR CZ 1 1
5 2307 1 1 11 TYR H H -7.053 6.580 0.674 1.00 . A A . 10 TYR H 1 1
5 2308 1 1 11 TYR HA H -6.781 4.909 3.024 1.00 . A A . 10 TYR HA 1 1
5 2309 1 1 11 TYR HB2 H -9.270 5.191 1.633 1.00 . A A . 10 TYR HB2 1 1
5 2310 1 1 11 TYR HB3 H -8.575 3.727 1.023 1.00 . A A . 10 TYR HB3 1 1
5 2311 1 1 11 TYR HD1 H -7.242 2.472 3.326 1.00 . A A . 10 TYR HD1 1 1
5 2312 1 1 11 TYR HD2 H -10.908 4.727 3.179 1.00 . A A . 10 TYR HD2 1 1
5 2313 1 1 11 TYR HE1 H -8.064 1.211 5.225 1.00 . A A . 10 TYR HE1 1 1
5 2314 1 1 11 TYR HE2 H -11.754 3.454 5.112 1.00 . A A . 10 TYR HE2 1 1
5 2315 1 1 11 TYR HH H -11.306 1.707 6.609 1.00 . A A . 10 TYR HH 1 1
5 2316 1 1 11 TYR N N -7.192 6.397 1.649 1.00 . A A . 10 TYR N 1 1
5 2317 1 1 11 TYR O O -6.072 4.557 -0.094 1.00 . A A . 10 TYR O 1 1
5 2318 1 1 11 TYR OH O -10.417 1.461 6.335 1.00 . A A . 10 TYR OH 1 1
5 2319 1 1 12 GLU C C -5.589 0.721 1.472 1.00 . A A . 11 GLU C 1 1
5 2320 1 1 12 GLU CA C -5.067 2.045 0.867 1.00 . A A . 11 GLU CA 1 1
5 2321 1 1 12 GLU CB C -3.552 2.210 0.931 1.00 . A A . 11 GLU CB 1 1
5 2322 1 1 12 GLU CD C -1.434 0.999 0.283 1.00 . A A . 11 GLU CD 1 1
5 2323 1 1 12 GLU CG C -2.868 1.318 -0.105 1.00 . A A . 11 GLU CG 1 1
5 2324 1 1 12 GLU H H -5.751 2.989 2.606 1.00 . A A . 11 GLU H 1 1
5 2325 1 1 12 GLU HA H -5.381 2.124 -0.172 1.00 . A A . 11 GLU HA 1 1
5 2326 1 1 12 GLU HB2 H -3.284 3.246 0.718 1.00 . A A . 11 GLU HB2 1 1
5 2327 1 1 12 GLU HB3 H -3.218 1.974 1.941 1.00 . A A . 11 GLU HB3 1 1
5 2328 1 1 12 GLU HG2 H -3.412 0.376 -0.190 1.00 . A A . 11 GLU HG2 1 1
5 2329 1 1 12 GLU HG3 H -2.884 1.813 -1.077 1.00 . A A . 11 GLU HG3 1 1
5 2330 1 1 12 GLU N N -5.658 3.134 1.611 1.00 . A A . 11 GLU N 1 1
5 2331 1 1 12 GLU O O -4.872 0.002 2.166 1.00 . A A . 11 GLU O 1 1
5 2332 1 1 12 GLU OE1 O -0.850 1.726 1.114 1.00 . A A . 11 GLU OE1 1 1
5 2333 1 1 12 GLU OE2 O -0.933 -0.024 -0.199 1.00 . A A . 11 GLU OE2 1 1
5 2334 1 1 13 VAL C C -7.213 -1.951 1.947 1.00 . A A . 12 VAL C 1 1
5 2335 1 1 13 VAL CA C -7.763 -0.531 1.869 1.00 . A A . 12 VAL CA 1 1
5 2336 1 1 13 VAL CB C -9.118 -0.520 1.122 1.00 . A A . 12 VAL CB 1 1
5 2337 1 1 13 VAL CG1 C -10.055 -1.688 1.467 1.00 . A A . 12 VAL CG1 1 1
5 2338 1 1 13 VAL CG2 C -9.860 0.766 1.466 1.00 . A A . 12 VAL CG2 1 1
5 2339 1 1 13 VAL H H -7.343 1.056 0.574 1.00 . A A . 12 VAL H 1 1
5 2340 1 1 13 VAL HA H -7.951 -0.196 2.885 1.00 . A A . 12 VAL HA 1 1
5 2341 1 1 13 VAL HB H -8.938 -0.537 0.048 1.00 . A A . 12 VAL HB 1 1
5 2342 1 1 13 VAL HG11 H -9.623 -2.618 1.105 1.00 . A A . 12 VAL HG11 1 1
5 2343 1 1 13 VAL HG12 H -10.200 -1.747 2.547 1.00 . A A . 12 VAL HG12 1 1
5 2344 1 1 13 VAL HG13 H -11.017 -1.553 0.976 1.00 . A A . 12 VAL HG13 1 1
5 2345 1 1 13 VAL HG21 H -10.063 0.796 2.535 1.00 . A A . 12 VAL HG21 1 1
5 2346 1 1 13 VAL HG22 H -9.265 1.623 1.173 1.00 . A A . 12 VAL HG22 1 1
5 2347 1 1 13 VAL HG23 H -10.791 0.796 0.914 1.00 . A A . 12 VAL HG23 1 1
5 2348 1 1 13 VAL N N -6.878 0.447 1.229 1.00 . A A . 12 VAL N 1 1
5 2349 1 1 13 VAL O O -7.634 -2.693 2.828 1.00 . A A . 12 VAL O 1 1
5 2350 1 1 14 HIS C C -4.817 -3.988 2.183 1.00 . A A . 13 HIS C 1 1
5 2351 1 1 14 HIS CA C -5.778 -3.700 1.024 1.00 . A A . 13 HIS CA 1 1
5 2352 1 1 14 HIS CB C -5.196 -3.963 -0.374 1.00 . A A . 13 HIS CB 1 1
5 2353 1 1 14 HIS CD2 C -5.353 -6.304 -1.419 1.00 . A A . 13 HIS CD2 1 1
5 2354 1 1 14 HIS CE1 C -3.401 -7.120 -0.845 1.00 . A A . 13 HIS CE1 1 1
5 2355 1 1 14 HIS CG C -4.717 -5.365 -0.654 1.00 . A A . 13 HIS CG 1 1
5 2356 1 1 14 HIS H H -5.974 -1.694 0.360 1.00 . A A . 13 HIS H 1 1
5 2357 1 1 14 HIS HA H -6.629 -4.356 1.174 1.00 . A A . 13 HIS HA 1 1
5 2358 1 1 14 HIS HB2 H -5.960 -3.729 -1.115 1.00 . A A . 13 HIS HB2 1 1
5 2359 1 1 14 HIS HB3 H -4.371 -3.283 -0.537 1.00 . A A . 13 HIS HB3 1 1
5 2360 1 1 14 HIS HD1 H -2.799 -5.447 0.263 1.00 . A A . 13 HIS HD1 1 1
5 2361 1 1 14 HIS HD2 H -6.312 -6.189 -1.899 1.00 . A A . 13 HIS HD2 1 1
5 2362 1 1 14 HIS HE1 H -2.545 -7.772 -0.755 1.00 . A A . 13 HIS HE1 1 1
5 2363 1 1 14 HIS N N -6.297 -2.345 1.061 1.00 . A A . 13 HIS N 1 1
5 2364 1 1 14 HIS ND1 N -3.496 -5.896 -0.311 1.00 . A A . 13 HIS ND1 1 1
5 2365 1 1 14 HIS NE2 N -4.514 -7.416 -1.526 1.00 . A A . 13 HIS NE2 1 1
5 2366 1 1 14 HIS O O -4.450 -5.139 2.357 1.00 . A A . 13 HIS O 1 1
5 2367 1 1 15 HIS C C -4.872 -3.462 5.469 1.00 . A A . 14 HIS C 1 1
5 2368 1 1 15 HIS CA C -3.850 -3.281 4.332 1.00 . A A . 14 HIS CA 1 1
5 2369 1 1 15 HIS CB C -2.886 -2.153 4.693 1.00 . A A . 14 HIS CB 1 1
5 2370 1 1 15 HIS CD2 C -1.345 -0.896 3.094 1.00 . A A . 14 HIS CD2 1 1
5 2371 1 1 15 HIS CE1 C 0.224 -2.388 2.809 1.00 . A A . 14 HIS CE1 1 1
5 2372 1 1 15 HIS CG C -1.705 -2.020 3.780 1.00 . A A . 14 HIS CG 1 1
5 2373 1 1 15 HIS H H -4.757 -2.061 2.833 1.00 . A A . 14 HIS H 1 1
5 2374 1 1 15 HIS HA H -3.278 -4.202 4.265 1.00 . A A . 14 HIS HA 1 1
5 2375 1 1 15 HIS HB2 H -3.432 -1.215 4.726 1.00 . A A . 14 HIS HB2 1 1
5 2376 1 1 15 HIS HB3 H -2.489 -2.343 5.686 1.00 . A A . 14 HIS HB3 1 1
5 2377 1 1 15 HIS HD1 H -0.673 -3.875 3.994 1.00 . A A . 14 HIS HD1 1 1
5 2378 1 1 15 HIS HD2 H -1.900 0.029 3.069 1.00 . A A . 14 HIS HD2 1 1
5 2379 1 1 15 HIS HE1 H 1.126 -2.869 2.478 1.00 . A A . 14 HIS HE1 1 1
5 2380 1 1 15 HIS N N -4.465 -3.010 3.031 1.00 . A A . 14 HIS N 1 1
5 2381 1 1 15 HIS ND1 N -0.707 -2.948 3.595 1.00 . A A . 14 HIS ND1 1 1
5 2382 1 1 15 HIS NE2 N -0.114 -1.136 2.485 1.00 . A A . 14 HIS NE2 1 1
5 2383 1 1 15 HIS O O -4.469 -3.689 6.605 1.00 . A A . 14 HIS O 1 1
5 2384 1 1 16 GLN C C -8.377 -4.184 5.877 1.00 . A A . 15 GLN C 1 1
5 2385 1 1 16 GLN CA C -7.233 -3.226 6.191 1.00 . A A . 15 GLN CA 1 1
5 2386 1 1 16 GLN CB C -7.740 -1.773 6.234 1.00 . A A . 15 GLN CB 1 1
5 2387 1 1 16 GLN CD C -6.445 -1.150 8.346 1.00 . A A . 15 GLN CD 1 1
5 2388 1 1 16 GLN CG C -6.734 -0.805 6.888 1.00 . A A . 15 GLN CG 1 1
5 2389 1 1 16 GLN H H -6.462 -3.213 4.245 1.00 . A A . 15 GLN H 1 1
5 2390 1 1 16 GLN HA H -6.845 -3.511 7.163 1.00 . A A . 15 GLN HA 1 1
5 2391 1 1 16 GLN HB2 H -7.965 -1.438 5.223 1.00 . A A . 15 GLN HB2 1 1
5 2392 1 1 16 GLN HB3 H -8.669 -1.735 6.796 1.00 . A A . 15 GLN HB3 1 1
5 2393 1 1 16 GLN HE21 H -4.684 -0.145 8.355 1.00 . A A . 15 GLN HE21 1 1
5 2394 1 1 16 GLN HE22 H -5.116 -0.932 9.857 1.00 . A A . 15 GLN HE22 1 1
5 2395 1 1 16 GLN HG2 H -5.806 -0.801 6.317 1.00 . A A . 15 GLN HG2 1 1
5 2396 1 1 16 GLN HG3 H -7.147 0.201 6.875 1.00 . A A . 15 GLN HG3 1 1
5 2397 1 1 16 GLN N N -6.173 -3.333 5.199 1.00 . A A . 15 GLN N 1 1
5 2398 1 1 16 GLN NE2 N -5.324 -0.704 8.897 1.00 . A A . 15 GLN NE2 1 1
5 2399 1 1 16 GLN O O -8.491 -4.688 4.768 1.00 . A A . 15 GLN O 1 1
5 2400 1 1 16 GLN OE1 O -7.232 -1.821 8.991 1.00 . A A . 15 GLN OE1 1 1
5 2401 1 1 17 LYS C C -11.527 -4.839 6.060 1.00 . A A . 16 LYS C 1 1
5 2402 1 1 17 LYS CA C -10.320 -5.397 6.810 1.00 . A A . 16 LYS CA 1 1
5 2403 1 1 17 LYS CB C -10.715 -5.795 8.238 1.00 . A A . 16 LYS CB 1 1
5 2404 1 1 17 LYS CD C -9.902 -6.900 10.353 1.00 . A A . 16 LYS CD 1 1
5 2405 1 1 17 LYS CE C -8.696 -7.622 10.940 1.00 . A A . 16 LYS CE 1 1
5 2406 1 1 17 LYS CG C -9.575 -6.569 8.902 1.00 . A A . 16 LYS CG 1 1
5 2407 1 1 17 LYS H H -9.109 -3.931 7.743 1.00 . A A . 16 LYS H 1 1
5 2408 1 1 17 LYS HA H -9.982 -6.290 6.282 1.00 . A A . 16 LYS HA 1 1
5 2409 1 1 17 LYS HB2 H -10.950 -4.906 8.822 1.00 . A A . 16 LYS HB2 1 1
5 2410 1 1 17 LYS HB3 H -11.600 -6.427 8.213 1.00 . A A . 16 LYS HB3 1 1
5 2411 1 1 17 LYS HD2 H -10.077 -5.978 10.908 1.00 . A A . 16 LYS HD2 1 1
5 2412 1 1 17 LYS HD3 H -10.786 -7.538 10.402 1.00 . A A . 16 LYS HD3 1 1
5 2413 1 1 17 LYS HE2 H -8.532 -8.551 10.393 1.00 . A A . 16 LYS HE2 1 1
5 2414 1 1 17 LYS HE3 H -7.815 -6.989 10.841 1.00 . A A . 16 LYS HE3 1 1
5 2415 1 1 17 LYS HG2 H -9.412 -7.494 8.350 1.00 . A A . 16 LYS HG2 1 1
5 2416 1 1 17 LYS HG3 H -8.660 -5.976 8.885 1.00 . A A . 16 LYS HG3 1 1
5 2417 1 1 17 LYS HZ1 H -9.715 -8.516 12.462 1.00 . A A . 16 LYS HZ1 1 1
5 2418 1 1 17 LYS HZ2 H -8.097 -8.402 12.728 1.00 . A A . 16 LYS HZ2 1 1
5 2419 1 1 17 LYS HZ3 H -9.056 -7.072 12.876 1.00 . A A . 16 LYS HZ3 1 1
5 2420 1 1 17 LYS N N -9.228 -4.431 6.875 1.00 . A A . 16 LYS N 1 1
5 2421 1 1 17 LYS NZ N -8.905 -7.924 12.358 1.00 . A A . 16 LYS NZ 1 1
5 2422 1 1 17 LYS O O -12.193 -5.590 5.363 1.00 . A A . 16 LYS O 1 1
5 2423 1 1 18 NH2 HN1 H -12.617 -3.161 5.695 1.00 . A A . 17 NH2 HN1 1 1
5 2424 1 1 18 NH2 HN2 H -11.241 -2.953 6.758 1.00 . A A . 17 NH2 HN2 1 1
5 2425 1 1 18 NH2 N N -11.805 -3.541 6.162 1.00 . A A . 17 NH2 N 1 1
5 2426 2 1 1 ACE C C 12.736 4.844 4.258 1.00 . B B . 0 ACE C 1 1
5 2427 2 1 1 ACE CH3 C 11.674 5.197 3.227 1.00 . B B . 0 ACE CH3 1 1
5 2428 2 1 1 ACE H1 H 11.441 4.314 2.634 1.00 . B B . 0 ACE H1 1 1
5 2429 2 1 1 ACE H2 H 10.775 5.551 3.724 1.00 . B B . 0 ACE H2 1 1
5 2430 2 1 1 ACE H3 H 12.038 5.993 2.577 1.00 . B B . 0 ACE H3 1 1
5 2431 2 1 1 ACE O O 13.921 4.957 3.965 1.00 . B B . 0 ACE O 1 1
5 2432 2 1 2 ASP C C 13.854 2.757 6.432 1.00 . B B . 1 ASP C 1 1
5 2433 2 1 2 ASP CA C 13.214 4.142 6.572 1.00 . B B . 1 ASP CA 1 1
5 2434 2 1 2 ASP CB C 12.444 4.261 7.886 1.00 . B B . 1 ASP CB 1 1
5 2435 2 1 2 ASP CG C 13.429 4.403 9.029 1.00 . B B . 1 ASP CG 1 1
5 2436 2 1 2 ASP H H 11.328 4.336 5.630 1.00 . B B . 1 ASP H 1 1
5 2437 2 1 2 ASP HA H 14.007 4.892 6.575 1.00 . B B . 1 ASP HA 1 1
5 2438 2 1 2 ASP HB2 H 11.809 5.147 7.864 1.00 . B B . 1 ASP HB2 1 1
5 2439 2 1 2 ASP HB3 H 11.822 3.379 8.038 1.00 . B B . 1 ASP HB3 1 1
5 2440 2 1 2 ASP N N 12.318 4.434 5.460 1.00 . B B . 1 ASP N 1 1
5 2441 2 1 2 ASP O O 13.256 1.873 5.825 1.00 . B B . 1 ASP O 1 1
5 2442 2 1 2 ASP OD1 O 13.865 5.544 9.263 1.00 . B B . 1 ASP OD1 1 1
5 2443 2 1 2 ASP OD2 O 13.779 3.376 9.633 1.00 . B B . 1 ASP OD2 1 1
5 2444 2 1 3 ALA C C 15.339 0.086 6.800 1.00 . B B . 2 ALA C 1 1
5 2445 2 1 3 ALA CA C 15.976 1.477 6.766 1.00 . B B . 2 ALA CA 1 1
5 2446 2 1 3 ALA CB C 17.122 1.556 7.775 1.00 . B B . 2 ALA CB 1 1
5 2447 2 1 3 ALA H H 15.421 3.351 7.556 1.00 . B B . 2 ALA H 1 1
5 2448 2 1 3 ALA HA H 16.411 1.613 5.778 1.00 . B B . 2 ALA HA 1 1
5 2449 2 1 3 ALA HB1 H 17.790 0.705 7.638 1.00 . B B . 2 ALA HB1 1 1
5 2450 2 1 3 ALA HB2 H 17.679 2.477 7.619 1.00 . B B . 2 ALA HB2 1 1
5 2451 2 1 3 ALA HB3 H 16.730 1.544 8.791 1.00 . B B . 2 ALA HB3 1 1
5 2452 2 1 3 ALA N N 15.053 2.585 7.010 1.00 . B B . 2 ALA N 1 1
5 2453 2 1 3 ALA O O 15.660 -0.726 5.944 1.00 . B B . 2 ALA O 1 1
5 2454 2 1 4 GLU C C 12.973 -1.996 6.760 1.00 . B B . 3 GLU C 1 1
5 2455 2 1 4 GLU CA C 13.821 -1.503 7.939 1.00 . B B . 3 GLU CA 1 1
5 2456 2 1 4 GLU CB C 12.965 -1.471 9.205 1.00 . B B . 3 GLU CB 1 1
5 2457 2 1 4 GLU CD C 11.029 -0.410 10.372 1.00 . B B . 3 GLU CD 1 1
5 2458 2 1 4 GLU CG C 11.859 -0.412 9.111 1.00 . B B . 3 GLU CG 1 1
5 2459 2 1 4 GLU H H 14.191 0.538 8.401 1.00 . B B . 3 GLU H 1 1
5 2460 2 1 4 GLU HA H 14.619 -2.225 8.089 1.00 . B B . 3 GLU HA 1 1
5 2461 2 1 4 GLU HB2 H 12.513 -2.452 9.348 1.00 . B B . 3 GLU HB2 1 1
5 2462 2 1 4 GLU HB3 H 13.597 -1.258 10.066 1.00 . B B . 3 GLU HB3 1 1
5 2463 2 1 4 GLU HG2 H 12.304 0.571 8.956 1.00 . B B . 3 GLU HG2 1 1
5 2464 2 1 4 GLU HG3 H 11.192 -0.635 8.279 1.00 . B B . 3 GLU HG3 1 1
5 2465 2 1 4 GLU N N 14.433 -0.188 7.743 1.00 . B B . 3 GLU N 1 1
5 2466 2 1 4 GLU O O 12.837 -3.202 6.577 1.00 . B B . 3 GLU O 1 1
5 2467 2 1 4 GLU OE1 O 10.265 -1.355 10.569 1.00 . B B . 3 GLU OE1 1 1
5 2468 2 1 4 GLU OE2 O 11.168 0.550 11.157 1.00 . B B . 3 GLU OE2 1 1
5 2469 2 1 5 PHE C C 12.291 -0.894 3.507 1.00 . B B . 4 PHE C 1 1
5 2470 2 1 5 PHE CA C 11.643 -1.442 4.772 1.00 . B B . 4 PHE CA 1 1
5 2471 2 1 5 PHE CB C 10.200 -0.986 4.932 1.00 . B B . 4 PHE CB 1 1
5 2472 2 1 5 PHE CD1 C 9.671 0.999 3.477 1.00 . B B . 4 PHE CD1 1 1
5 2473 2 1 5 PHE CD2 C 9.970 1.346 5.871 1.00 . B B . 4 PHE CD2 1 1
5 2474 2 1 5 PHE CE1 C 9.355 2.356 3.317 1.00 . B B . 4 PHE CE1 1 1
5 2475 2 1 5 PHE CE2 C 9.642 2.702 5.711 1.00 . B B . 4 PHE CE2 1 1
5 2476 2 1 5 PHE CG C 9.953 0.490 4.757 1.00 . B B . 4 PHE CG 1 1
5 2477 2 1 5 PHE CZ C 9.313 3.199 4.439 1.00 . B B . 4 PHE CZ 1 1
5 2478 2 1 5 PHE H H 12.514 -0.110 6.173 1.00 . B B . 4 PHE H 1 1
5 2479 2 1 5 PHE HA H 11.620 -2.523 4.664 1.00 . B B . 4 PHE HA 1 1
5 2480 2 1 5 PHE HB2 H 9.603 -1.517 4.195 1.00 . B B . 4 PHE HB2 1 1
5 2481 2 1 5 PHE HB3 H 9.855 -1.289 5.920 1.00 . B B . 4 PHE HB3 1 1
5 2482 2 1 5 PHE HD1 H 9.696 0.338 2.623 1.00 . B B . 4 PHE HD1 1 1
5 2483 2 1 5 PHE HD2 H 10.227 0.954 6.844 1.00 . B B . 4 PHE HD2 1 1
5 2484 2 1 5 PHE HE1 H 9.131 2.748 2.337 1.00 . B B . 4 PHE HE1 1 1
5 2485 2 1 5 PHE HE2 H 9.645 3.365 6.561 1.00 . B B . 4 PHE HE2 1 1
5 2486 2 1 5 PHE HZ H 9.045 4.235 4.322 1.00 . B B . 4 PHE HZ 1 1
5 2487 2 1 5 PHE N N 12.402 -1.090 5.963 1.00 . B B . 4 PHE N 1 1
5 2488 2 1 5 PHE O O 11.938 -1.337 2.423 1.00 . B B . 4 PHE O 1 1
5 2489 2 1 6 ARG C C 15.211 -0.685 2.401 1.00 . B B . 5 ARG C 1 1
5 2490 2 1 6 ARG CA C 14.169 0.421 2.591 1.00 . B B . 5 ARG CA 1 1
5 2491 2 1 6 ARG CB C 14.728 1.786 2.992 1.00 . B B . 5 ARG CB 1 1
5 2492 2 1 6 ARG CD C 14.830 2.641 0.597 1.00 . B B . 5 ARG CD 1 1
5 2493 2 1 6 ARG CG C 15.574 2.461 1.919 1.00 . B B . 5 ARG CG 1 1
5 2494 2 1 6 ARG CZ C 14.698 1.549 -1.624 1.00 . B B . 5 ARG CZ 1 1
5 2495 2 1 6 ARG H H 13.509 0.332 4.568 1.00 . B B . 5 ARG H 1 1
5 2496 2 1 6 ARG HA H 13.594 0.542 1.678 1.00 . B B . 5 ARG HA 1 1
5 2497 2 1 6 ARG HB2 H 13.883 2.437 3.215 1.00 . B B . 5 ARG HB2 1 1
5 2498 2 1 6 ARG HB3 H 15.327 1.686 3.894 1.00 . B B . 5 ARG HB3 1 1
5 2499 2 1 6 ARG HD2 H 13.761 2.687 0.790 1.00 . B B . 5 ARG HD2 1 1
5 2500 2 1 6 ARG HD3 H 15.146 3.574 0.140 1.00 . B B . 5 ARG HD3 1 1
5 2501 2 1 6 ARG HE H 15.662 0.794 -0.016 1.00 . B B . 5 ARG HE 1 1
5 2502 2 1 6 ARG HG2 H 15.837 3.450 2.283 1.00 . B B . 5 ARG HG2 1 1
5 2503 2 1 6 ARG HG3 H 16.483 1.885 1.776 1.00 . B B . 5 ARG HG3 1 1
5 2504 2 1 6 ARG HH11 H 13.674 3.304 -1.539 1.00 . B B . 5 ARG HH11 1 1
5 2505 2 1 6 ARG HH12 H 13.624 2.480 -3.075 1.00 . B B . 5 ARG HH12 1 1
5 2506 2 1 6 ARG HH21 H 15.624 -0.211 -2.048 1.00 . B B . 5 ARG HH21 1 1
5 2507 2 1 6 ARG HH22 H 14.745 0.516 -3.375 1.00 . B B . 5 ARG HH22 1 1
5 2508 2 1 6 ARG N N 13.281 -0.005 3.644 1.00 . B B . 5 ARG N 1 1
5 2509 2 1 6 ARG NE N 15.105 1.566 -0.351 1.00 . B B . 5 ARG NE 1 1
5 2510 2 1 6 ARG NH1 N 13.936 2.522 -2.119 1.00 . B B . 5 ARG NH1 1 1
5 2511 2 1 6 ARG NH2 N 15.052 0.537 -2.413 1.00 . B B . 5 ARG NH2 1 1
5 2512 2 1 6 ARG O O 16.298 -0.646 2.962 1.00 . B B . 5 ARG O 1 1
5 2513 2 1 7 ARG C C 15.883 -3.202 0.042 1.00 . B B . 6 ARG C 1 1
5 2514 2 1 7 ARG CA C 15.472 -3.000 1.501 1.00 . B B . 6 ARG CA 1 1
5 2515 2 1 7 ARG CB C 14.463 -4.079 1.915 1.00 . B B . 6 ARG CB 1 1
5 2516 2 1 7 ARG CD C 15.080 -4.450 4.423 1.00 . B B . 6 ARG CD 1 1
5 2517 2 1 7 ARG CG C 14.024 -4.058 3.386 1.00 . B B . 6 ARG CG 1 1
5 2518 2 1 7 ARG CZ C 17.307 -3.284 4.602 1.00 . B B . 6 ARG CZ 1 1
5 2519 2 1 7 ARG H H 13.888 -1.670 1.263 1.00 . B B . 6 ARG H 1 1
5 2520 2 1 7 ARG HA H 16.349 -3.052 2.130 1.00 . B B . 6 ARG HA 1 1
5 2521 2 1 7 ARG HB2 H 13.570 -3.920 1.315 1.00 . B B . 6 ARG HB2 1 1
5 2522 2 1 7 ARG HB3 H 14.850 -5.066 1.677 1.00 . B B . 6 ARG HB3 1 1
5 2523 2 1 7 ARG HD2 H 14.562 -4.735 5.337 1.00 . B B . 6 ARG HD2 1 1
5 2524 2 1 7 ARG HD3 H 15.636 -5.316 4.085 1.00 . B B . 6 ARG HD3 1 1
5 2525 2 1 7 ARG HE H 15.534 -2.548 5.215 1.00 . B B . 6 ARG HE 1 1
5 2526 2 1 7 ARG HG2 H 13.651 -3.068 3.620 1.00 . B B . 6 ARG HG2 1 1
5 2527 2 1 7 ARG HG3 H 13.193 -4.753 3.489 1.00 . B B . 6 ARG HG3 1 1
5 2528 2 1 7 ARG HH11 H 17.534 -5.065 3.644 1.00 . B B . 6 ARG HH11 1 1
5 2529 2 1 7 ARG HH12 H 19.007 -4.157 3.902 1.00 . B B . 6 ARG HH12 1 1
5 2530 2 1 7 ARG HH21 H 17.453 -1.470 5.498 1.00 . B B . 6 ARG HH21 1 1
5 2531 2 1 7 ARG HH22 H 18.965 -2.158 4.957 1.00 . B B . 6 ARG HH22 1 1
5 2532 2 1 7 ARG N N 14.811 -1.717 1.660 1.00 . B B . 6 ARG N 1 1
5 2533 2 1 7 ARG NE N 15.976 -3.338 4.760 1.00 . B B . 6 ARG NE 1 1
5 2534 2 1 7 ARG NH1 N 18.008 -4.254 4.012 1.00 . B B . 6 ARG NH1 1 1
5 2535 2 1 7 ARG NH2 N 17.961 -2.215 5.047 1.00 . B B . 6 ARG NH2 1 1
5 2536 2 1 7 ARG O O 15.557 -2.384 -0.814 1.00 . B B . 6 ARG O 1 1
5 2537 2 1 8 ASP C C 15.480 -5.084 -2.350 1.00 . B B . 7 ASP C 1 1
5 2538 2 1 8 ASP CA C 16.795 -4.774 -1.619 1.00 . B B . 7 ASP CA 1 1
5 2539 2 1 8 ASP CB C 17.729 -5.992 -1.631 1.00 . B B . 7 ASP CB 1 1
5 2540 2 1 8 ASP CG C 17.048 -7.279 -1.195 1.00 . B B . 7 ASP CG 1 1
5 2541 2 1 8 ASP H H 16.787 -4.965 0.497 1.00 . B B . 7 ASP H 1 1
5 2542 2 1 8 ASP HA H 17.317 -3.980 -2.146 1.00 . B B . 7 ASP HA 1 1
5 2543 2 1 8 ASP HB2 H 18.099 -6.122 -2.646 1.00 . B B . 7 ASP HB2 1 1
5 2544 2 1 8 ASP HB3 H 18.578 -5.811 -0.978 1.00 . B B . 7 ASP HB3 1 1
5 2545 2 1 8 ASP N N 16.551 -4.327 -0.249 1.00 . B B . 7 ASP N 1 1
5 2546 2 1 8 ASP O O 15.365 -4.773 -3.526 1.00 . B B . 7 ASP O 1 1
5 2547 2 1 8 ASP OD1 O 16.371 -7.270 -0.162 1.00 . B B . 7 ASP OD1 1 1
5 2548 2 1 8 ASP OD2 O 17.207 -8.285 -1.923 1.00 . B B . 7 ASP OD2 1 1
5 2549 2 1 9 SER C C 12.145 -6.125 -1.101 1.00 . B B . 8 SER C 1 1
5 2550 2 1 9 SER CA C 13.245 -6.206 -2.165 1.00 . B B . 8 SER CA 1 1
5 2551 2 1 9 SER CB C 13.462 -7.667 -2.571 1.00 . B B . 8 SER CB 1 1
5 2552 2 1 9 SER H H 14.721 -5.938 -0.705 1.00 . B B . 8 SER H 1 1
5 2553 2 1 9 SER HA H 12.938 -5.625 -3.028 1.00 . B B . 8 SER HA 1 1
5 2554 2 1 9 SER HB2 H 14.007 -8.189 -1.786 1.00 . B B . 8 SER HB2 1 1
5 2555 2 1 9 SER HB3 H 12.500 -8.158 -2.719 1.00 . B B . 8 SER HB3 1 1
5 2556 2 1 9 SER HG H 13.608 -7.423 -4.481 1.00 . B B . 8 SER HG 1 1
5 2557 2 1 9 SER N N 14.502 -5.673 -1.651 1.00 . B B . 8 SER N 1 1
5 2558 2 1 9 SER O O 12.421 -5.793 0.050 1.00 . B B . 8 SER O 1 1
5 2559 2 1 9 SER OG O 14.190 -7.727 -3.774 1.00 . B B . 8 SER OG 1 1
5 2560 2 1 10 GLY C C 8.466 -6.740 -1.250 1.00 . B B . 9 GLY C 1 1
5 2561 2 1 10 GLY CA C 9.775 -6.353 -0.550 1.00 . B B . 9 GLY CA 1 1
5 2562 2 1 10 GLY H H 10.673 -6.672 -2.427 1.00 . B B . 9 GLY H 1 1
5 2563 2 1 10 GLY HA2 H 9.955 -7.006 0.302 1.00 . B B . 9 GLY HA2 1 1
5 2564 2 1 10 GLY HA3 H 9.745 -5.338 -0.157 1.00 . B B . 9 GLY HA3 1 1
5 2565 2 1 10 GLY N N 10.893 -6.436 -1.468 1.00 . B B . 9 GLY N 1 1
5 2566 2 1 10 GLY O O 8.203 -7.924 -1.430 1.00 . B B . 9 GLY O 1 1
5 2567 2 1 11 TYR C C 6.504 -3.602 -1.728 1.00 . B B . 10 TYR C 1 1
5 2568 2 1 11 TYR CA C 7.790 -4.364 -1.476 1.00 . B B . 10 TYR CA 1 1
5 2569 2 1 11 TYR CB C 8.853 -3.831 -2.442 1.00 . B B . 10 TYR CB 1 1
5 2570 2 1 11 TYR CD1 C 9.705 -2.147 -0.761 1.00 . B B . 10 TYR CD1 1 1
5 2571 2 1 11 TYR CD2 C 11.264 -3.192 -2.313 1.00 . B B . 10 TYR CD2 1 1
5 2572 2 1 11 TYR CE1 C 10.730 -1.348 -0.261 1.00 . B B . 10 TYR CE1 1 1
5 2573 2 1 11 TYR CE2 C 12.308 -2.422 -1.787 1.00 . B B . 10 TYR CE2 1 1
5 2574 2 1 11 TYR CG C 9.964 -3.046 -1.808 1.00 . B B . 10 TYR CG 1 1
5 2575 2 1 11 TYR CZ C 12.029 -1.465 -0.792 1.00 . B B . 10 TYR CZ 1 1
5 2576 2 1 11 TYR H H 6.869 -6.045 -2.270 1.00 . B B . 10 TYR H 1 1
5 2577 2 1 11 TYR HA H 8.091 -4.178 -0.448 1.00 . B B . 10 TYR HA 1 1
5 2578 2 1 11 TYR HB2 H 9.303 -4.655 -2.979 1.00 . B B . 10 TYR HB2 1 1
5 2579 2 1 11 TYR HB3 H 8.383 -3.195 -3.188 1.00 . B B . 10 TYR HB3 1 1
5 2580 2 1 11 TYR HD1 H 8.721 -2.039 -0.347 1.00 . B B . 10 TYR HD1 1 1
5 2581 2 1 11 TYR HD2 H 11.452 -3.886 -3.117 1.00 . B B . 10 TYR HD2 1 1
5 2582 2 1 11 TYR HE1 H 10.510 -0.645 0.522 1.00 . B B . 10 TYR HE1 1 1
5 2583 2 1 11 TYR HE2 H 13.308 -2.541 -2.163 1.00 . B B . 10 TYR HE2 1 1
5 2584 2 1 11 TYR HH H 12.672 0.030 0.250 1.00 . B B . 10 TYR HH 1 1
5 2585 2 1 11 TYR N N 7.621 -5.787 -1.659 1.00 . B B . 10 TYR N 1 1
5 2586 2 1 11 TYR O O 5.760 -3.884 -2.664 1.00 . B B . 10 TYR O 1 1
5 2587 2 1 11 TYR OH O 13.000 -0.624 -0.372 1.00 . B B . 10 TYR OH 1 1
5 2588 2 1 12 GLU C C 6.497 -0.154 -1.064 1.00 . B B . 11 GLU C 1 1
5 2589 2 1 12 GLU CA C 5.624 -1.367 -1.394 1.00 . B B . 11 GLU CA 1 1
5 2590 2 1 12 GLU CB C 4.279 -1.372 -0.685 1.00 . B B . 11 GLU CB 1 1
5 2591 2 1 12 GLU CD C 2.117 -0.136 -0.474 1.00 . B B . 11 GLU CD 1 1
5 2592 2 1 12 GLU CG C 3.327 -0.385 -1.351 1.00 . B B . 11 GLU CG 1 1
5 2593 2 1 12 GLU H H 6.960 -2.398 -0.170 1.00 . B B . 11 GLU H 1 1
5 2594 2 1 12 GLU HA H 5.453 -1.425 -2.467 1.00 . B B . 11 GLU HA 1 1
5 2595 2 1 12 GLU HB2 H 3.849 -2.369 -0.742 1.00 . B B . 11 GLU HB2 1 1
5 2596 2 1 12 GLU HB3 H 4.417 -1.132 0.368 1.00 . B B . 11 GLU HB3 1 1
5 2597 2 1 12 GLU HG2 H 3.839 0.567 -1.509 1.00 . B B . 11 GLU HG2 1 1
5 2598 2 1 12 GLU HG3 H 3.008 -0.774 -2.317 1.00 . B B . 11 GLU HG3 1 1
5 2599 2 1 12 GLU N N 6.354 -2.527 -0.966 1.00 . B B . 11 GLU N 1 1
5 2600 2 1 12 GLU O O 6.271 0.503 -0.054 1.00 . B B . 11 GLU O 1 1
5 2601 2 1 12 GLU OE1 O 1.715 -1.067 0.268 1.00 . B B . 11 GLU OE1 1 1
5 2602 2 1 12 GLU OE2 O 1.617 0.994 -0.510 1.00 . B B . 11 GLU OE2 1 1
5 2603 2 1 13 VAL C C 8.074 2.416 -1.167 1.00 . B B . 12 VAL C 1 1
5 2604 2 1 13 VAL CA C 8.578 1.102 -1.753 1.00 . B B . 12 VAL CA 1 1
5 2605 2 1 13 VAL CB C 9.255 1.353 -3.121 1.00 . B B . 12 VAL CB 1 1
5 2606 2 1 13 VAL CG1 C 10.253 2.524 -3.093 1.00 . B B . 12 VAL CG1 1 1
5 2607 2 1 13 VAL CG2 C 10.026 0.116 -3.591 1.00 . B B . 12 VAL CG2 1 1
5 2608 2 1 13 VAL H H 7.596 -0.494 -2.713 1.00 . B B . 12 VAL H 1 1
5 2609 2 1 13 VAL HA H 9.333 0.714 -1.075 1.00 . B B . 12 VAL HA 1 1
5 2610 2 1 13 VAL HB H 8.484 1.580 -3.859 1.00 . B B . 12 VAL HB 1 1
5 2611 2 1 13 VAL HG11 H 9.725 3.468 -2.964 1.00 . B B . 12 VAL HG11 1 1
5 2612 2 1 13 VAL HG12 H 10.964 2.392 -2.278 1.00 . B B . 12 VAL HG12 1 1
5 2613 2 1 13 VAL HG13 H 10.798 2.566 -4.035 1.00 . B B . 12 VAL HG13 1 1
5 2614 2 1 13 VAL HG21 H 9.383 -0.762 -3.590 1.00 . B B . 12 VAL HG21 1 1
5 2615 2 1 13 VAL HG22 H 10.384 0.285 -4.605 1.00 . B B . 12 VAL HG22 1 1
5 2616 2 1 13 VAL HG23 H 10.879 -0.057 -2.937 1.00 . B B . 12 VAL HG23 1 1
5 2617 2 1 13 VAL N N 7.518 0.098 -1.901 1.00 . B B . 12 VAL N 1 1
5 2618 2 1 13 VAL O O 8.759 2.990 -0.325 1.00 . B B . 12 VAL O 1 1
5 2619 2 1 14 HIS C C 6.178 4.285 0.341 1.00 . B B . 13 HIS C 1 1
5 2620 2 1 14 HIS CA C 6.317 4.131 -1.170 1.00 . B B . 13 HIS CA 1 1
5 2621 2 1 14 HIS CB C 4.963 4.386 -1.843 1.00 . B B . 13 HIS CB 1 1
5 2622 2 1 14 HIS CD2 C 6.094 4.693 -4.156 1.00 . B B . 13 HIS CD2 1 1
5 2623 2 1 14 HIS CE1 C 4.317 5.108 -5.369 1.00 . B B . 13 HIS CE1 1 1
5 2624 2 1 14 HIS CG C 5.006 4.669 -3.325 1.00 . B B . 13 HIS CG 1 1
5 2625 2 1 14 HIS H H 6.370 2.327 -2.266 1.00 . B B . 13 HIS H 1 1
5 2626 2 1 14 HIS HA H 7.017 4.881 -1.501 1.00 . B B . 13 HIS HA 1 1
5 2627 2 1 14 HIS HB2 H 4.306 3.535 -1.661 1.00 . B B . 13 HIS HB2 1 1
5 2628 2 1 14 HIS HB3 H 4.510 5.256 -1.370 1.00 . B B . 13 HIS HB3 1 1
5 2629 2 1 14 HIS HD1 H 2.953 4.981 -3.784 1.00 . B B . 13 HIS HD1 1 1
5 2630 2 1 14 HIS HD2 H 7.120 4.514 -3.870 1.00 . B B . 13 HIS HD2 1 1
5 2631 2 1 14 HIS HE1 H 3.664 5.304 -6.207 1.00 . B B . 13 HIS HE1 1 1
5 2632 2 1 14 HIS N N 6.882 2.864 -1.581 1.00 . B B . 13 HIS N 1 1
5 2633 2 1 14 HIS ND1 N 3.910 4.953 -4.103 1.00 . B B . 13 HIS ND1 1 1
5 2634 2 1 14 HIS NE2 N 5.646 4.961 -5.450 1.00 . B B . 13 HIS NE2 1 1
5 2635 2 1 14 HIS O O 6.250 5.421 0.794 1.00 . B B . 13 HIS O 1 1
5 2636 2 1 15 HIS C C 6.044 2.048 3.387 1.00 . B B . 14 HIS C 1 1
5 2637 2 1 15 HIS CA C 5.874 3.341 2.576 1.00 . B B . 14 HIS CA 1 1
5 2638 2 1 15 HIS CB C 4.526 4.018 2.913 1.00 . B B . 14 HIS CB 1 1
5 2639 2 1 15 HIS CD2 C 2.745 2.489 1.872 1.00 . B B . 14 HIS CD2 1 1
5 2640 2 1 15 HIS CE1 C 1.742 1.787 3.686 1.00 . B B . 14 HIS CE1 1 1
5 2641 2 1 15 HIS CG C 3.349 3.083 2.942 1.00 . B B . 14 HIS CG 1 1
5 2642 2 1 15 HIS H H 5.991 2.285 0.713 1.00 . B B . 14 HIS H 1 1
5 2643 2 1 15 HIS HA H 6.667 4.014 2.904 1.00 . B B . 14 HIS HA 1 1
5 2644 2 1 15 HIS HB2 H 4.609 4.479 3.895 1.00 . B B . 14 HIS HB2 1 1
5 2645 2 1 15 HIS HB3 H 4.302 4.820 2.212 1.00 . B B . 14 HIS HB3 1 1
5 2646 2 1 15 HIS HD1 H 2.945 2.871 5.021 1.00 . B B . 14 HIS HD1 1 1
5 2647 2 1 15 HIS HD2 H 3.022 2.624 0.837 1.00 . B B . 14 HIS HD2 1 1
5 2648 2 1 15 HIS HE1 H 1.092 1.251 4.359 1.00 . B B . 14 HIS HE1 1 1
5 2649 2 1 15 HIS N N 6.017 3.208 1.127 1.00 . B B . 14 HIS N 1 1
5 2650 2 1 15 HIS ND1 N 2.703 2.640 4.068 1.00 . B B . 14 HIS ND1 1 1
5 2651 2 1 15 HIS NE2 N 1.725 1.665 2.353 1.00 . B B . 14 HIS NE2 1 1
5 2652 2 1 15 HIS O O 5.943 2.126 4.604 1.00 . B B . 14 HIS O 1 1
5 2653 2 1 16 GLN C C 6.870 -1.541 2.895 1.00 . B B . 15 GLN C 1 1
5 2654 2 1 16 GLN CA C 6.062 -0.388 3.507 1.00 . B B . 15 GLN CA 1 1
5 2655 2 1 16 GLN CB C 4.546 -0.627 3.574 1.00 . B B . 15 GLN CB 1 1
5 2656 2 1 16 GLN CD C 4.398 -1.921 5.760 1.00 . B B . 15 GLN CD 1 1
5 2657 2 1 16 GLN CG C 4.060 -1.889 4.270 1.00 . B B . 15 GLN CG 1 1
5 2658 2 1 16 GLN H H 6.303 0.793 1.796 1.00 . B B . 15 GLN H 1 1
5 2659 2 1 16 GLN HA H 6.419 -0.261 4.522 1.00 . B B . 15 GLN HA 1 1
5 2660 2 1 16 GLN HB2 H 4.089 0.211 4.093 1.00 . B B . 15 GLN HB2 1 1
5 2661 2 1 16 GLN HB3 H 4.170 -0.643 2.558 1.00 . B B . 15 GLN HB3 1 1
5 2662 2 1 16 GLN HE21 H 2.534 -1.293 6.277 1.00 . B B . 15 GLN HE21 1 1
5 2663 2 1 16 GLN HE22 H 3.637 -1.582 7.603 1.00 . B B . 15 GLN HE22 1 1
5 2664 2 1 16 GLN HG2 H 2.980 -1.935 4.145 1.00 . B B . 15 GLN HG2 1 1
5 2665 2 1 16 GLN HG3 H 4.485 -2.751 3.768 1.00 . B B . 15 GLN HG3 1 1
5 2666 2 1 16 GLN N N 6.251 0.866 2.795 1.00 . B B . 15 GLN N 1 1
5 2667 2 1 16 GLN NE2 N 3.448 -1.554 6.612 1.00 . B B . 15 GLN NE2 1 1
5 2668 2 1 16 GLN O O 7.338 -1.477 1.762 1.00 . B B . 15 GLN O 1 1
5 2669 2 1 16 GLN OE1 O 5.503 -2.276 6.152 1.00 . B B . 15 GLN OE1 1 1
5 2670 2 1 17 LYS C C 7.212 -4.620 2.244 1.00 . B B . 16 LYS C 1 1
5 2671 2 1 17 LYS CA C 7.802 -3.801 3.391 1.00 . B B . 16 LYS CA 1 1
5 2672 2 1 17 LYS CB C 7.896 -4.676 4.652 1.00 . B B . 16 LYS CB 1 1
5 2673 2 1 17 LYS CD C 8.966 -4.924 6.940 1.00 . B B . 16 LYS CD 1 1
5 2674 2 1 17 LYS CE C 9.807 -4.231 8.015 1.00 . B B . 16 LYS CE 1 1
5 2675 2 1 17 LYS CG C 8.770 -4.017 5.722 1.00 . B B . 16 LYS CG 1 1
5 2676 2 1 17 LYS H H 6.586 -2.566 4.597 1.00 . B B . 16 LYS H 1 1
5 2677 2 1 17 LYS HA H 8.805 -3.500 3.099 1.00 . B B . 16 LYS HA 1 1
5 2678 2 1 17 LYS HB2 H 6.897 -4.858 5.052 1.00 . B B . 16 LYS HB2 1 1
5 2679 2 1 17 LYS HB3 H 8.339 -5.636 4.387 1.00 . B B . 16 LYS HB3 1 1
5 2680 2 1 17 LYS HD2 H 7.997 -5.204 7.356 1.00 . B B . 16 LYS HD2 1 1
5 2681 2 1 17 LYS HD3 H 9.486 -5.829 6.627 1.00 . B B . 16 LYS HD3 1 1
5 2682 2 1 17 LYS HE2 H 10.054 -4.953 8.791 1.00 . B B . 16 LYS HE2 1 1
5 2683 2 1 17 LYS HE3 H 10.729 -3.857 7.571 1.00 . B B . 16 LYS HE3 1 1
5 2684 2 1 17 LYS HG2 H 9.749 -3.801 5.296 1.00 . B B . 16 LYS HG2 1 1
5 2685 2 1 17 LYS HG3 H 8.298 -3.089 6.035 1.00 . B B . 16 LYS HG3 1 1
5 2686 2 1 17 LYS HZ1 H 9.636 -2.704 9.373 1.00 . B B . 16 LYS HZ1 1 1
5 2687 2 1 17 LYS HZ2 H 8.873 -2.409 7.946 1.00 . B B . 16 LYS HZ2 1 1
5 2688 2 1 17 LYS HZ3 H 8.213 -3.448 9.030 1.00 . B B . 16 LYS HZ3 1 1
5 2689 2 1 17 LYS N N 7.035 -2.599 3.695 1.00 . B B . 16 LYS N 1 1
5 2690 2 1 17 LYS NZ N 9.082 -3.116 8.637 1.00 . B B . 16 LYS NZ 1 1
5 2691 2 1 17 LYS O O 7.923 -5.430 1.666 1.00 . B B . 16 LYS O 1 1
5 2692 2 1 18 NH2 HN1 H 5.376 -3.751 2.363 1.00 . B B . 17 NH2 HN1 1 1
5 2693 2 1 18 NH2 HN2 H 5.552 -4.980 1.130 1.00 . B B . 17 NH2 HN2 1 1
5 2694 2 1 18 NH2 N N 5.945 -4.433 1.883 1.00 . B B . 17 NH2 N 1 1
5 2695 3 2 1 ZN ZN ZN 0.609 0.333 1.216 1.00 . C A . 101 ZN ZN 1 1
6 2696 1 1 1 ACE C C -11.347 -4.049 -2.378 1.00 . A A . 0 ACE C 1 1
6 2697 1 1 1 ACE CH3 C -9.948 -4.526 -2.044 1.00 . A A . 0 ACE CH3 1 1
6 2698 1 1 1 ACE H1 H -9.218 -3.860 -2.502 1.00 . A A . 0 ACE H1 1 1
6 2699 1 1 1 ACE H2 H -9.811 -4.548 -0.964 1.00 . A A . 0 ACE H2 1 1
6 2700 1 1 1 ACE H3 H -9.810 -5.526 -2.447 1.00 . A A . 0 ACE H3 1 1
6 2701 1 1 1 ACE O O -11.500 -3.095 -3.131 1.00 . A A . 0 ACE O 1 1
6 2702 1 1 2 ASP C C -14.414 -3.301 -2.080 1.00 . A A . 1 ASP C 1 1
6 2703 1 1 2 ASP CA C -13.748 -4.665 -2.267 1.00 . A A . 1 ASP CA 1 1
6 2704 1 1 2 ASP CB C -14.526 -5.774 -1.559 1.00 . A A . 1 ASP CB 1 1
6 2705 1 1 2 ASP CG C -14.123 -7.126 -2.125 1.00 . A A . 1 ASP CG 1 1
6 2706 1 1 2 ASP H H -12.128 -5.477 -1.185 1.00 . A A . 1 ASP H 1 1
6 2707 1 1 2 ASP HA H -13.772 -4.874 -3.337 1.00 . A A . 1 ASP HA 1 1
6 2708 1 1 2 ASP HB2 H -14.325 -5.746 -0.484 1.00 . A A . 1 ASP HB2 1 1
6 2709 1 1 2 ASP HB3 H -15.591 -5.645 -1.709 1.00 . A A . 1 ASP HB3 1 1
6 2710 1 1 2 ASP N N -12.354 -4.739 -1.837 1.00 . A A . 1 ASP N 1 1
6 2711 1 1 2 ASP O O -13.876 -2.426 -1.411 1.00 . A A . 1 ASP O 1 1
6 2712 1 1 2 ASP OD1 O -14.454 -7.342 -3.337 1.00 . A A . 1 ASP OD1 1 1
6 2713 1 1 2 ASP OD2 O -13.498 -7.898 -1.425 1.00 . A A . 1 ASP OD2 1 1
6 2714 1 1 3 ALA C C -16.620 -1.238 -1.462 1.00 . A A . 2 ALA C 1 1
6 2715 1 1 3 ALA CA C -16.381 -1.927 -2.805 1.00 . A A . 2 ALA CA 1 1
6 2716 1 1 3 ALA CB C -17.727 -2.284 -3.439 1.00 . A A . 2 ALA CB 1 1
6 2717 1 1 3 ALA H H -15.969 -3.953 -3.187 1.00 . A A . 2 ALA H 1 1
6 2718 1 1 3 ALA HA H -15.857 -1.237 -3.462 1.00 . A A . 2 ALA HA 1 1
6 2719 1 1 3 ALA HB1 H -18.384 -1.417 -3.424 1.00 . A A . 2 ALA HB1 1 1
6 2720 1 1 3 ALA HB2 H -17.576 -2.605 -4.467 1.00 . A A . 2 ALA HB2 1 1
6 2721 1 1 3 ALA HB3 H -18.206 -3.087 -2.882 1.00 . A A . 2 ALA HB3 1 1
6 2722 1 1 3 ALA N N -15.596 -3.152 -2.698 1.00 . A A . 2 ALA N 1 1
6 2723 1 1 3 ALA O O -16.487 -0.021 -1.367 1.00 . A A . 2 ALA O 1 1
6 2724 1 1 4 GLU C C -15.905 -0.912 1.561 1.00 . A A . 3 GLU C 1 1
6 2725 1 1 4 GLU CA C -17.129 -1.586 0.947 1.00 . A A . 3 GLU CA 1 1
6 2726 1 1 4 GLU CB C -17.497 -2.812 1.781 1.00 . A A . 3 GLU CB 1 1
6 2727 1 1 4 GLU CD C -16.838 -5.191 2.165 1.00 . A A . 3 GLU CD 1 1
6 2728 1 1 4 GLU CG C -16.328 -3.801 1.865 1.00 . A A . 3 GLU CG 1 1
6 2729 1 1 4 GLU H H -16.999 -3.017 -0.598 1.00 . A A . 3 GLU H 1 1
6 2730 1 1 4 GLU HA H -17.959 -0.883 0.972 1.00 . A A . 3 GLU HA 1 1
6 2731 1 1 4 GLU HB2 H -17.774 -2.501 2.789 1.00 . A A . 3 GLU HB2 1 1
6 2732 1 1 4 GLU HB3 H -18.357 -3.298 1.323 1.00 . A A . 3 GLU HB3 1 1
6 2733 1 1 4 GLU HG2 H -15.785 -3.841 0.917 1.00 . A A . 3 GLU HG2 1 1
6 2734 1 1 4 GLU HG3 H -15.640 -3.486 2.645 1.00 . A A . 3 GLU HG3 1 1
6 2735 1 1 4 GLU N N -16.930 -2.023 -0.429 1.00 . A A . 3 GLU N 1 1
6 2736 1 1 4 GLU O O -16.060 -0.216 2.552 1.00 . A A . 3 GLU O 1 1
6 2737 1 1 4 GLU OE1 O -17.317 -5.385 3.312 1.00 . A A . 3 GLU OE1 1 1
6 2738 1 1 4 GLU OE2 O -16.796 -6.027 1.265 1.00 . A A . 3 GLU OE2 1 1
6 2739 1 1 5 PHE C C -13.011 0.564 0.380 1.00 . A A . 4 PHE C 1 1
6 2740 1 1 5 PHE CA C -13.469 -0.470 1.402 1.00 . A A . 4 PHE CA 1 1
6 2741 1 1 5 PHE CB C -12.383 -1.526 1.585 1.00 . A A . 4 PHE CB 1 1
6 2742 1 1 5 PHE CD1 C -13.237 -2.399 3.806 1.00 . A A . 4 PHE CD1 1 1
6 2743 1 1 5 PHE CD2 C -12.716 -3.983 2.030 1.00 . A A . 4 PHE CD2 1 1
6 2744 1 1 5 PHE CE1 C -13.528 -3.463 4.672 1.00 . A A . 4 PHE CE1 1 1
6 2745 1 1 5 PHE CE2 C -13.048 -5.043 2.885 1.00 . A A . 4 PHE CE2 1 1
6 2746 1 1 5 PHE CG C -12.784 -2.661 2.498 1.00 . A A . 4 PHE CG 1 1
6 2747 1 1 5 PHE CZ C -13.419 -4.785 4.213 1.00 . A A . 4 PHE CZ 1 1
6 2748 1 1 5 PHE H H -14.647 -1.792 0.252 1.00 . A A . 4 PHE H 1 1
6 2749 1 1 5 PHE HA H -13.618 0.048 2.349 1.00 . A A . 4 PHE HA 1 1
6 2750 1 1 5 PHE HB2 H -12.113 -1.927 0.608 1.00 . A A . 4 PHE HB2 1 1
6 2751 1 1 5 PHE HB3 H -11.496 -1.049 2.002 1.00 . A A . 4 PHE HB3 1 1
6 2752 1 1 5 PHE HD1 H -13.356 -1.383 4.151 1.00 . A A . 4 PHE HD1 1 1
6 2753 1 1 5 PHE HD2 H -12.420 -4.183 1.013 1.00 . A A . 4 PHE HD2 1 1
6 2754 1 1 5 PHE HE1 H -13.841 -3.264 5.685 1.00 . A A . 4 PHE HE1 1 1
6 2755 1 1 5 PHE HE2 H -13.022 -6.055 2.518 1.00 . A A . 4 PHE HE2 1 1
6 2756 1 1 5 PHE HZ H -13.636 -5.603 4.874 1.00 . A A . 4 PHE HZ 1 1
6 2757 1 1 5 PHE N N -14.708 -1.122 1.005 1.00 . A A . 4 PHE N 1 1
6 2758 1 1 5 PHE O O -12.231 1.434 0.741 1.00 . A A . 4 PHE O 1 1
6 2759 1 1 6 ARG C C -14.092 2.859 -1.538 1.00 . A A . 5 ARG C 1 1
6 2760 1 1 6 ARG CA C -13.312 1.571 -1.860 1.00 . A A . 5 ARG CA 1 1
6 2761 1 1 6 ARG CB C -13.631 1.015 -3.253 1.00 . A A . 5 ARG CB 1 1
6 2762 1 1 6 ARG CD C -11.170 0.301 -3.666 1.00 . A A . 5 ARG CD 1 1
6 2763 1 1 6 ARG CG C -12.653 -0.088 -3.694 1.00 . A A . 5 ARG CG 1 1
6 2764 1 1 6 ARG CZ C -10.084 1.893 -5.288 1.00 . A A . 5 ARG CZ 1 1
6 2765 1 1 6 ARG H H -14.150 -0.223 -1.103 1.00 . A A . 5 ARG H 1 1
6 2766 1 1 6 ARG HA H -12.259 1.842 -1.838 1.00 . A A . 5 ARG HA 1 1
6 2767 1 1 6 ARG HB2 H -14.643 0.617 -3.251 1.00 . A A . 5 ARG HB2 1 1
6 2768 1 1 6 ARG HB3 H -13.589 1.818 -3.987 1.00 . A A . 5 ARG HB3 1 1
6 2769 1 1 6 ARG HD2 H -10.822 0.347 -2.634 1.00 . A A . 5 ARG HD2 1 1
6 2770 1 1 6 ARG HD3 H -10.612 -0.480 -4.175 1.00 . A A . 5 ARG HD3 1 1
6 2771 1 1 6 ARG HE H -11.535 2.355 -3.983 1.00 . A A . 5 ARG HE 1 1
6 2772 1 1 6 ARG HG2 H -12.786 -0.949 -3.052 1.00 . A A . 5 ARG HG2 1 1
6 2773 1 1 6 ARG HG3 H -12.912 -0.395 -4.702 1.00 . A A . 5 ARG HG3 1 1
6 2774 1 1 6 ARG HH11 H -9.163 0.081 -5.357 1.00 . A A . 5 ARG HH11 1 1
6 2775 1 1 6 ARG HH12 H -8.568 1.265 -6.496 1.00 . A A . 5 ARG HH12 1 1
6 2776 1 1 6 ARG HH21 H -10.753 3.808 -5.437 1.00 . A A . 5 ARG HH21 1 1
6 2777 1 1 6 ARG HH22 H -9.459 3.379 -6.530 1.00 . A A . 5 ARG HH22 1 1
6 2778 1 1 6 ARG N N -13.522 0.529 -0.857 1.00 . A A . 5 ARG N 1 1
6 2779 1 1 6 ARG NE N -10.944 1.603 -4.305 1.00 . A A . 5 ARG NE 1 1
6 2780 1 1 6 ARG NH1 N -9.213 1.003 -5.764 1.00 . A A . 5 ARG NH1 1 1
6 2781 1 1 6 ARG NH2 N -10.105 3.123 -5.798 1.00 . A A . 5 ARG NH2 1 1
6 2782 1 1 6 ARG O O -14.293 3.699 -2.411 1.00 . A A . 5 ARG O 1 1
6 2783 1 1 7 ARG C C -13.906 5.365 0.161 1.00 . A A . 6 ARG C 1 1
6 2784 1 1 7 ARG CA C -14.976 4.282 0.291 1.00 . A A . 6 ARG CA 1 1
6 2785 1 1 7 ARG CB C -15.308 4.088 1.778 1.00 . A A . 6 ARG CB 1 1
6 2786 1 1 7 ARG CD C -17.594 2.943 1.422 1.00 . A A . 6 ARG CD 1 1
6 2787 1 1 7 ARG CG C -16.211 2.886 2.072 1.00 . A A . 6 ARG CG 1 1
6 2788 1 1 7 ARG CZ C -18.271 2.860 -0.987 1.00 . A A . 6 ARG CZ 1 1
6 2789 1 1 7 ARG H H -14.351 2.284 0.378 1.00 . A A . 6 ARG H 1 1
6 2790 1 1 7 ARG HA H -15.879 4.569 -0.236 1.00 . A A . 6 ARG HA 1 1
6 2791 1 1 7 ARG HB2 H -14.375 3.939 2.325 1.00 . A A . 6 ARG HB2 1 1
6 2792 1 1 7 ARG HB3 H -15.783 4.992 2.161 1.00 . A A . 6 ARG HB3 1 1
6 2793 1 1 7 ARG HD2 H -18.283 2.338 2.007 1.00 . A A . 6 ARG HD2 1 1
6 2794 1 1 7 ARG HD3 H -17.936 3.977 1.421 1.00 . A A . 6 ARG HD3 1 1
6 2795 1 1 7 ARG HE H -17.032 1.556 -0.076 1.00 . A A . 6 ARG HE 1 1
6 2796 1 1 7 ARG HG2 H -15.693 1.995 1.738 1.00 . A A . 6 ARG HG2 1 1
6 2797 1 1 7 ARG HG3 H -16.339 2.813 3.150 1.00 . A A . 6 ARG HG3 1 1
6 2798 1 1 7 ARG HH11 H -19.178 4.421 -0.045 1.00 . A A . 6 ARG HH11 1 1
6 2799 1 1 7 ARG HH12 H -19.565 4.234 -1.743 1.00 . A A . 6 ARG HH12 1 1
6 2800 1 1 7 ARG HH21 H -17.575 1.412 -2.235 1.00 . A A . 6 ARG HH21 1 1
6 2801 1 1 7 ARG HH22 H -18.672 2.564 -2.956 1.00 . A A . 6 ARG HH22 1 1
6 2802 1 1 7 ARG N N -14.497 3.036 -0.277 1.00 . A A . 6 ARG N 1 1
6 2803 1 1 7 ARG NE N -17.588 2.389 0.064 1.00 . A A . 6 ARG NE 1 1
6 2804 1 1 7 ARG NH1 N -19.063 3.930 -0.920 1.00 . A A . 6 ARG NH1 1 1
6 2805 1 1 7 ARG NH2 N -18.160 2.232 -2.152 1.00 . A A . 6 ARG NH2 1 1
6 2806 1 1 7 ARG O O -12.713 5.079 0.225 1.00 . A A . 6 ARG O 1 1
6 2807 1 1 8 ASP C C -12.838 7.820 1.640 1.00 . A A . 7 ASP C 1 1
6 2808 1 1 8 ASP CA C -13.438 7.760 0.227 1.00 . A A . 7 ASP CA 1 1
6 2809 1 1 8 ASP CB C -14.226 9.037 -0.062 1.00 . A A . 7 ASP CB 1 1
6 2810 1 1 8 ASP CG C -13.309 10.243 0.055 1.00 . A A . 7 ASP CG 1 1
6 2811 1 1 8 ASP H H -15.321 6.812 0.023 1.00 . A A . 7 ASP H 1 1
6 2812 1 1 8 ASP HA H -12.625 7.675 -0.494 1.00 . A A . 7 ASP HA 1 1
6 2813 1 1 8 ASP HB2 H -14.633 8.991 -1.072 1.00 . A A . 7 ASP HB2 1 1
6 2814 1 1 8 ASP HB3 H -15.052 9.130 0.644 1.00 . A A . 7 ASP HB3 1 1
6 2815 1 1 8 ASP N N -14.330 6.624 0.066 1.00 . A A . 7 ASP N 1 1
6 2816 1 1 8 ASP O O -11.756 8.372 1.815 1.00 . A A . 7 ASP O 1 1
6 2817 1 1 8 ASP OD1 O -12.543 10.474 -0.887 1.00 . A A . 7 ASP OD1 1 1
6 2818 1 1 8 ASP OD2 O -13.340 10.894 1.124 1.00 . A A . 7 ASP OD2 1 1
6 2819 1 1 9 SER C C -11.968 6.378 4.325 1.00 . A A . 8 SER C 1 1
6 2820 1 1 9 SER CA C -13.140 7.320 4.035 1.00 . A A . 8 SER CA 1 1
6 2821 1 1 9 SER CB C -14.359 7.015 4.909 1.00 . A A . 8 SER CB 1 1
6 2822 1 1 9 SER H H -14.427 6.849 2.440 1.00 . A A . 8 SER H 1 1
6 2823 1 1 9 SER HA H -12.827 8.336 4.246 1.00 . A A . 8 SER HA 1 1
6 2824 1 1 9 SER HB2 H -14.777 6.051 4.634 1.00 . A A . 8 SER HB2 1 1
6 2825 1 1 9 SER HB3 H -14.066 7.006 5.959 1.00 . A A . 8 SER HB3 1 1
6 2826 1 1 9 SER HG H -16.081 7.812 5.318 1.00 . A A . 8 SER HG 1 1
6 2827 1 1 9 SER N N -13.530 7.259 2.640 1.00 . A A . 8 SER N 1 1
6 2828 1 1 9 SER O O -12.172 5.217 4.664 1.00 . A A . 8 SER O 1 1
6 2829 1 1 9 SER OG O -15.353 7.989 4.713 1.00 . A A . 8 SER OG 1 1
6 2830 1 1 10 GLY C C -8.404 6.947 3.741 1.00 . A A . 9 GLY C 1 1
6 2831 1 1 10 GLY CA C -9.495 6.205 4.510 1.00 . A A . 9 GLY CA 1 1
6 2832 1 1 10 GLY H H -10.617 7.812 3.814 1.00 . A A . 9 GLY H 1 1
6 2833 1 1 10 GLY HA2 H -9.297 6.268 5.578 1.00 . A A . 9 GLY HA2 1 1
6 2834 1 1 10 GLY HA3 H -9.564 5.155 4.246 1.00 . A A . 9 GLY HA3 1 1
6 2835 1 1 10 GLY N N -10.737 6.887 4.205 1.00 . A A . 9 GLY N 1 1
6 2836 1 1 10 GLY O O -8.343 8.167 3.824 1.00 . A A . 9 GLY O 1 1
6 2837 1 1 11 TYR C C -6.020 4.552 2.151 1.00 . A A . 10 TYR C 1 1
6 2838 1 1 11 TYR CA C -7.364 4.872 2.801 1.00 . A A . 10 TYR CA 1 1
6 2839 1 1 11 TYR CB C -8.485 4.304 1.915 1.00 . A A . 10 TYR CB 1 1
6 2840 1 1 11 TYR CD1 C -8.662 2.140 3.212 1.00 . A A . 10 TYR CD1 1 1
6 2841 1 1 11 TYR CD2 C -10.695 3.359 2.658 1.00 . A A . 10 TYR CD2 1 1
6 2842 1 1 11 TYR CE1 C -9.413 1.171 3.880 1.00 . A A . 10 TYR CE1 1 1
6 2843 1 1 11 TYR CE2 C -11.456 2.393 3.328 1.00 . A A . 10 TYR CE2 1 1
6 2844 1 1 11 TYR CG C -9.298 3.233 2.596 1.00 . A A . 10 TYR CG 1 1
6 2845 1 1 11 TYR CZ C -10.817 1.288 3.924 1.00 . A A . 10 TYR CZ 1 1
6 2846 1 1 11 TYR H H -6.985 6.856 2.347 1.00 . A A . 10 TYR H 1 1
6 2847 1 1 11 TYR HA H -7.392 4.410 3.786 1.00 . A A . 10 TYR HA 1 1
6 2848 1 1 11 TYR HB2 H -9.155 5.101 1.593 1.00 . A A . 10 TYR HB2 1 1
6 2849 1 1 11 TYR HB3 H -8.057 3.891 1.002 1.00 . A A . 10 TYR HB3 1 1
6 2850 1 1 11 TYR HD1 H -7.591 2.045 3.195 1.00 . A A . 10 TYR HD1 1 1
6 2851 1 1 11 TYR HD2 H -11.182 4.212 2.210 1.00 . A A . 10 TYR HD2 1 1
6 2852 1 1 11 TYR HE1 H -8.914 0.354 4.369 1.00 . A A . 10 TYR HE1 1 1
6 2853 1 1 11 TYR HE2 H -12.528 2.497 3.383 1.00 . A A . 10 TYR HE2 1 1
6 2854 1 1 11 TYR HH H -11.019 -0.327 4.988 1.00 . A A . 10 TYR HH 1 1
6 2855 1 1 11 TYR N N -7.535 6.297 2.967 1.00 . A A . 10 TYR N 1 1
6 2856 1 1 11 TYR O O -5.494 5.314 1.341 1.00 . A A . 10 TYR O 1 1
6 2857 1 1 11 TYR OH O -11.555 0.348 4.560 1.00 . A A . 10 TYR OH 1 1
6 2858 1 1 12 GLU C C -5.415 1.083 1.622 1.00 . A A . 11 GLU C 1 1
6 2859 1 1 12 GLU CA C -4.882 2.513 1.441 1.00 . A A . 11 GLU CA 1 1
6 2860 1 1 12 GLU CB C -3.374 2.616 1.647 1.00 . A A . 11 GLU CB 1 1
6 2861 1 1 12 GLU CD C -1.237 1.547 0.839 1.00 . A A . 11 GLU CD 1 1
6 2862 1 1 12 GLU CG C -2.631 2.005 0.455 1.00 . A A . 11 GLU CG 1 1
6 2863 1 1 12 GLU H H -5.969 2.826 3.188 1.00 . A A . 11 GLU H 1 1
6 2864 1 1 12 GLU HA H -5.130 2.883 0.446 1.00 . A A . 11 GLU HA 1 1
6 2865 1 1 12 GLU HB2 H -3.095 3.662 1.734 1.00 . A A . 11 GLU HB2 1 1
6 2866 1 1 12 GLU HB3 H -3.108 2.117 2.577 1.00 . A A . 11 GLU HB3 1 1
6 2867 1 1 12 GLU HG2 H -3.181 1.142 0.093 1.00 . A A . 11 GLU HG2 1 1
6 2868 1 1 12 GLU HG3 H -2.563 2.740 -0.345 1.00 . A A . 11 GLU HG3 1 1
6 2869 1 1 12 GLU N N -5.558 3.332 2.422 1.00 . A A . 11 GLU N 1 1
6 2870 1 1 12 GLU O O -4.942 0.339 2.480 1.00 . A A . 11 GLU O 1 1
6 2871 1 1 12 GLU OE1 O -0.462 2.379 1.344 1.00 . A A . 11 GLU OE1 1 1
6 2872 1 1 12 GLU OE2 O -0.972 0.342 0.655 1.00 . A A . 11 GLU OE2 1 1
6 2873 1 1 13 VAL C C -6.364 -1.786 0.780 1.00 . A A . 12 VAL C 1 1
6 2874 1 1 13 VAL CA C -7.214 -0.514 0.903 1.00 . A A . 12 VAL CA 1 1
6 2875 1 1 13 VAL CB C -8.326 -0.461 -0.167 1.00 . A A . 12 VAL CB 1 1
6 2876 1 1 13 VAL CG1 C -9.126 -1.760 -0.315 1.00 . A A . 12 VAL CG1 1 1
6 2877 1 1 13 VAL CG2 C -9.331 0.630 0.203 1.00 . A A . 12 VAL CG2 1 1
6 2878 1 1 13 VAL H H -6.732 1.385 0.127 1.00 . A A . 12 VAL H 1 1
6 2879 1 1 13 VAL HA H -7.696 -0.525 1.875 1.00 . A A . 12 VAL HA 1 1
6 2880 1 1 13 VAL HB H -7.880 -0.218 -1.132 1.00 . A A . 12 VAL HB 1 1
6 2881 1 1 13 VAL HG11 H -9.964 -1.612 -0.998 1.00 . A A . 12 VAL HG11 1 1
6 2882 1 1 13 VAL HG12 H -8.485 -2.529 -0.732 1.00 . A A . 12 VAL HG12 1 1
6 2883 1 1 13 VAL HG13 H -9.503 -2.085 0.655 1.00 . A A . 12 VAL HG13 1 1
6 2884 1 1 13 VAL HG21 H -8.828 1.592 0.266 1.00 . A A . 12 VAL HG21 1 1
6 2885 1 1 13 VAL HG22 H -10.096 0.686 -0.566 1.00 . A A . 12 VAL HG22 1 1
6 2886 1 1 13 VAL HG23 H -9.785 0.393 1.161 1.00 . A A . 12 VAL HG23 1 1
6 2887 1 1 13 VAL N N -6.427 0.721 0.824 1.00 . A A . 12 VAL N 1 1
6 2888 1 1 13 VAL O O -6.810 -2.865 1.161 1.00 . A A . 12 VAL O 1 1
6 2889 1 1 14 HIS C C -3.821 -3.298 1.613 1.00 . A A . 13 HIS C 1 1
6 2890 1 1 14 HIS CA C -4.173 -2.746 0.223 1.00 . A A . 13 HIS CA 1 1
6 2891 1 1 14 HIS CB C -2.945 -2.251 -0.556 1.00 . A A . 13 HIS CB 1 1
6 2892 1 1 14 HIS CD2 C -1.468 -4.353 -0.719 1.00 . A A . 13 HIS CD2 1 1
6 2893 1 1 14 HIS CE1 C 0.280 -3.661 0.407 1.00 . A A . 13 HIS CE1 1 1
6 2894 1 1 14 HIS CG C -1.698 -3.062 -0.331 1.00 . A A . 13 HIS CG 1 1
6 2895 1 1 14 HIS H H -4.815 -0.753 -0.017 1.00 . A A . 13 HIS H 1 1
6 2896 1 1 14 HIS HA H -4.656 -3.539 -0.340 1.00 . A A . 13 HIS HA 1 1
6 2897 1 1 14 HIS HB2 H -3.177 -2.244 -1.620 1.00 . A A . 13 HIS HB2 1 1
6 2898 1 1 14 HIS HB3 H -2.733 -1.226 -0.266 1.00 . A A . 13 HIS HB3 1 1
6 2899 1 1 14 HIS HD1 H -0.466 -1.734 0.789 1.00 . A A . 13 HIS HD1 1 1
6 2900 1 1 14 HIS HD2 H -2.147 -4.978 -1.279 1.00 . A A . 13 HIS HD2 1 1
6 2901 1 1 14 HIS HE1 H 1.246 -3.619 0.889 1.00 . A A . 13 HIS HE1 1 1
6 2902 1 1 14 HIS N N -5.126 -1.661 0.297 1.00 . A A . 13 HIS N 1 1
6 2903 1 1 14 HIS ND1 N -0.597 -2.648 0.377 1.00 . A A . 13 HIS ND1 1 1
6 2904 1 1 14 HIS NE2 N -0.210 -4.732 -0.241 1.00 . A A . 13 HIS NE2 1 1
6 2905 1 1 14 HIS O O -3.514 -4.479 1.709 1.00 . A A . 13 HIS O 1 1
6 2906 1 1 15 HIS C C -5.069 -3.525 4.660 1.00 . A A . 14 HIS C 1 1
6 2907 1 1 15 HIS CA C -3.748 -3.031 4.056 1.00 . A A . 14 HIS CA 1 1
6 2908 1 1 15 HIS CB C -3.079 -1.971 4.935 1.00 . A A . 14 HIS CB 1 1
6 2909 1 1 15 HIS CD2 C -1.434 -0.525 3.625 1.00 . A A . 14 HIS CD2 1 1
6 2910 1 1 15 HIS CE1 C 0.381 -1.728 3.793 1.00 . A A . 14 HIS CE1 1 1
6 2911 1 1 15 HIS CG C -1.719 -1.599 4.414 1.00 . A A . 14 HIS CG 1 1
6 2912 1 1 15 HIS H H -4.187 -1.546 2.583 1.00 . A A . 14 HIS H 1 1
6 2913 1 1 15 HIS HA H -3.077 -3.888 4.030 1.00 . A A . 14 HIS HA 1 1
6 2914 1 1 15 HIS HB2 H -3.709 -1.082 4.981 1.00 . A A . 14 HIS HB2 1 1
6 2915 1 1 15 HIS HB3 H -2.961 -2.357 5.946 1.00 . A A . 14 HIS HB3 1 1
6 2916 1 1 15 HIS HD1 H -0.458 -3.213 5.016 1.00 . A A . 14 HIS HD1 1 1
6 2917 1 1 15 HIS HD2 H -2.144 0.224 3.318 1.00 . A A . 14 HIS HD2 1 1
6 2918 1 1 15 HIS HE1 H 1.383 -2.105 3.651 1.00 . A A . 14 HIS HE1 1 1
6 2919 1 1 15 HIS N N -3.914 -2.513 2.695 1.00 . A A . 14 HIS N 1 1
6 2920 1 1 15 HIS ND1 N -0.565 -2.339 4.518 1.00 . A A . 14 HIS ND1 1 1
6 2921 1 1 15 HIS NE2 N -0.095 -0.605 3.239 1.00 . A A . 14 HIS NE2 1 1
6 2922 1 1 15 HIS O O -5.041 -4.196 5.688 1.00 . A A . 14 HIS O 1 1
6 2923 1 1 16 GLN C C -7.881 -5.051 4.021 1.00 . A A . 15 GLN C 1 1
6 2924 1 1 16 GLN CA C -7.529 -3.647 4.501 1.00 . A A . 15 GLN CA 1 1
6 2925 1 1 16 GLN CB C -8.569 -2.663 3.972 1.00 . A A . 15 GLN CB 1 1
6 2926 1 1 16 GLN CD C -10.014 -2.436 6.109 1.00 . A A . 15 GLN CD 1 1
6 2927 1 1 16 GLN CG C -9.952 -2.785 4.619 1.00 . A A . 15 GLN CG 1 1
6 2928 1 1 16 GLN H H -6.209 -2.671 3.199 1.00 . A A . 15 GLN H 1 1
6 2929 1 1 16 GLN HA H -7.529 -3.616 5.581 1.00 . A A . 15 GLN HA 1 1
6 2930 1 1 16 GLN HB2 H -8.200 -1.651 4.088 1.00 . A A . 15 GLN HB2 1 1
6 2931 1 1 16 GLN HB3 H -8.689 -2.838 2.908 1.00 . A A . 15 GLN HB3 1 1
6 2932 1 1 16 GLN HE21 H -9.322 -4.259 6.696 1.00 . A A . 15 GLN HE21 1 1
6 2933 1 1 16 GLN HE22 H -9.668 -3.123 7.982 1.00 . A A . 15 GLN HE22 1 1
6 2934 1 1 16 GLN HG2 H -10.594 -2.098 4.082 1.00 . A A . 15 GLN HG2 1 1
6 2935 1 1 16 GLN HG3 H -10.335 -3.792 4.465 1.00 . A A . 15 GLN HG3 1 1
6 2936 1 1 16 GLN N N -6.219 -3.227 4.038 1.00 . A A . 15 GLN N 1 1
6 2937 1 1 16 GLN NE2 N -9.620 -3.342 6.997 1.00 . A A . 15 GLN NE2 1 1
6 2938 1 1 16 GLN O O -8.626 -5.750 4.699 1.00 . A A . 15 GLN O 1 1
6 2939 1 1 16 GLN OE1 O -10.447 -1.352 6.475 1.00 . A A . 15 GLN OE1 1 1
6 2940 1 1 17 LYS C C -6.586 -6.923 1.084 1.00 . A A . 16 LYS C 1 1
6 2941 1 1 17 LYS CA C -7.629 -6.708 2.190 1.00 . A A . 16 LYS CA 1 1
6 2942 1 1 17 LYS CB C -9.076 -6.720 1.650 1.00 . A A . 16 LYS CB 1 1
6 2943 1 1 17 LYS CD C -11.039 -8.177 0.989 1.00 . A A . 16 LYS CD 1 1
6 2944 1 1 17 LYS CE C -11.489 -9.636 0.987 1.00 . A A . 16 LYS CE 1 1
6 2945 1 1 17 LYS CG C -9.590 -8.152 1.469 1.00 . A A . 16 LYS CG 1 1
6 2946 1 1 17 LYS H H -6.785 -4.777 2.352 1.00 . A A . 16 LYS H 1 1
6 2947 1 1 17 LYS HA H -7.522 -7.500 2.932 1.00 . A A . 16 LYS HA 1 1
6 2948 1 1 17 LYS HB2 H -9.740 -6.219 2.355 1.00 . A A . 16 LYS HB2 1 1
6 2949 1 1 17 LYS HB3 H -9.123 -6.181 0.705 1.00 . A A . 16 LYS HB3 1 1
6 2950 1 1 17 LYS HD2 H -11.663 -7.599 1.667 1.00 . A A . 16 LYS HD2 1 1
6 2951 1 1 17 LYS HD3 H -11.110 -7.753 -0.013 1.00 . A A . 16 LYS HD3 1 1
6 2952 1 1 17 LYS HE2 H -10.850 -10.203 0.312 1.00 . A A . 16 LYS HE2 1 1
6 2953 1 1 17 LYS HE3 H -11.389 -10.037 1.996 1.00 . A A . 16 LYS HE3 1 1
6 2954 1 1 17 LYS HG2 H -8.978 -8.685 0.744 1.00 . A A . 16 LYS HG2 1 1
6 2955 1 1 17 LYS HG3 H -9.529 -8.669 2.428 1.00 . A A . 16 LYS HG3 1 1
6 2956 1 1 17 LYS HZ1 H -12.998 -9.414 -0.366 1.00 . A A . 16 LYS HZ1 1 1
6 2957 1 1 17 LYS HZ2 H -13.151 -10.756 0.578 1.00 . A A . 16 LYS HZ2 1 1
6 2958 1 1 17 LYS HZ3 H -13.483 -9.264 1.196 1.00 . A A . 16 LYS HZ3 1 1
6 2959 1 1 17 LYS N N -7.361 -5.440 2.852 1.00 . A A . 16 LYS N 1 1
6 2960 1 1 17 LYS NZ N -12.884 -9.782 0.569 1.00 . A A . 16 LYS NZ 1 1
6 2961 1 1 17 LYS O O -5.989 -5.974 0.581 1.00 . A A . 16 LYS O 1 1
6 2962 1 1 18 NH2 HN1 H -5.674 -8.353 -0.034 1.00 . A A . 17 NH2 HN1 1 1
6 2963 1 1 18 NH2 HN2 H -6.862 -8.934 1.109 1.00 . A A . 17 NH2 HN2 1 1
6 2964 1 1 18 NH2 N N -6.352 -8.171 0.690 1.00 . A A . 17 NH2 N 1 1
6 2965 2 1 1 ACE C C 15.198 3.310 -11.814 1.00 . B B . 0 ACE C 1 1
6 2966 2 1 1 ACE CH3 C 15.756 4.091 -12.993 1.00 . B B . 0 ACE CH3 1 1
6 2967 2 1 1 ACE H1 H 16.775 4.410 -12.774 1.00 . B B . 0 ACE H1 1 1
6 2968 2 1 1 ACE H2 H 15.751 3.472 -13.888 1.00 . B B . 0 ACE H2 1 1
6 2969 2 1 1 ACE H3 H 15.135 4.969 -13.171 1.00 . B B . 0 ACE H3 1 1
6 2970 2 1 1 ACE O O 15.930 2.985 -10.883 1.00 . B B . 0 ACE O 1 1
6 2971 2 1 2 ASP C C 13.435 1.066 -10.365 1.00 . B B . 1 ASP C 1 1
6 2972 2 1 2 ASP CA C 13.182 2.528 -10.667 1.00 . B B . 1 ASP CA 1 1
6 2973 2 1 2 ASP CB C 11.685 2.682 -10.865 1.00 . B B . 1 ASP CB 1 1
6 2974 2 1 2 ASP CG C 11.155 4.096 -10.784 1.00 . B B . 1 ASP CG 1 1
6 2975 2 1 2 ASP H H 13.337 3.316 -12.629 1.00 . B B . 1 ASP H 1 1
6 2976 2 1 2 ASP HA H 13.483 3.106 -9.797 1.00 . B B . 1 ASP HA 1 1
6 2977 2 1 2 ASP HB2 H 11.405 2.268 -11.839 1.00 . B B . 1 ASP HB2 1 1
6 2978 2 1 2 ASP HB3 H 11.188 2.107 -10.083 1.00 . B B . 1 ASP HB3 1 1
6 2979 2 1 2 ASP N N 13.893 3.035 -11.834 1.00 . B B . 1 ASP N 1 1
6 2980 2 1 2 ASP O O 13.382 0.701 -9.194 1.00 . B B . 1 ASP O 1 1
6 2981 2 1 2 ASP OD1 O 11.973 5.011 -10.404 1.00 . B B . 1 ASP OD1 1 1
6 2982 2 1 2 ASP OD2 O 9.996 4.276 -11.072 1.00 . B B . 1 ASP OD2 1 1
6 2983 2 1 3 ALA C C 14.392 -1.751 -10.150 1.00 . B B . 2 ALA C 1 1
6 2984 2 1 3 ALA CA C 13.588 -1.203 -11.326 1.00 . B B . 2 ALA CA 1 1
6 2985 2 1 3 ALA CB C 14.093 -1.794 -12.643 1.00 . B B . 2 ALA CB 1 1
6 2986 2 1 3 ALA H H 13.668 0.656 -12.328 1.00 . B B . 2 ALA H 1 1
6 2987 2 1 3 ALA HA H 12.546 -1.483 -11.197 1.00 . B B . 2 ALA HA 1 1
6 2988 2 1 3 ALA HB1 H 15.124 -1.488 -12.819 1.00 . B B . 2 ALA HB1 1 1
6 2989 2 1 3 ALA HB2 H 14.049 -2.882 -12.594 1.00 . B B . 2 ALA HB2 1 1
6 2990 2 1 3 ALA HB3 H 13.470 -1.450 -13.466 1.00 . B B . 2 ALA HB3 1 1
6 2991 2 1 3 ALA N N 13.648 0.250 -11.404 1.00 . B B . 2 ALA N 1 1
6 2992 2 1 3 ALA O O 13.867 -2.549 -9.382 1.00 . B B . 2 ALA O 1 1
6 2993 2 1 4 GLU C C 16.184 -1.629 -7.546 1.00 . B B . 3 GLU C 1 1
6 2994 2 1 4 GLU CA C 16.603 -1.718 -9.009 1.00 . B B . 3 GLU CA 1 1
6 2995 2 1 4 GLU CB C 17.902 -0.929 -9.206 1.00 . B B . 3 GLU CB 1 1
6 2996 2 1 4 GLU CD C 18.897 1.393 -9.281 1.00 . B B . 3 GLU CD 1 1
6 2997 2 1 4 GLU CG C 17.720 0.549 -8.834 1.00 . B B . 3 GLU CG 1 1
6 2998 2 1 4 GLU H H 15.947 -0.576 -10.652 1.00 . B B . 3 GLU H 1 1
6 2999 2 1 4 GLU HA H 16.783 -2.766 -9.216 1.00 . B B . 3 GLU HA 1 1
6 3000 2 1 4 GLU HB2 H 18.682 -1.357 -8.576 1.00 . B B . 3 GLU HB2 1 1
6 3001 2 1 4 GLU HB3 H 18.213 -1.018 -10.247 1.00 . B B . 3 GLU HB3 1 1
6 3002 2 1 4 GLU HG2 H 16.817 0.937 -9.305 1.00 . B B . 3 GLU HG2 1 1
6 3003 2 1 4 GLU HG3 H 17.616 0.642 -7.751 1.00 . B B . 3 GLU HG3 1 1
6 3004 2 1 4 GLU N N 15.625 -1.263 -9.985 1.00 . B B . 3 GLU N 1 1
6 3005 2 1 4 GLU O O 16.763 -2.352 -6.742 1.00 . B B . 3 GLU O 1 1
6 3006 2 1 4 GLU OE1 O 19.036 1.554 -10.517 1.00 . B B . 3 GLU OE1 1 1
6 3007 2 1 4 GLU OE2 O 19.625 1.898 -8.415 1.00 . B B . 3 GLU OE2 1 1
6 3008 2 1 5 PHE C C 13.195 -1.024 -5.804 1.00 . B B . 4 PHE C 1 1
6 3009 2 1 5 PHE CA C 14.680 -0.660 -5.846 1.00 . B B . 4 PHE CA 1 1
6 3010 2 1 5 PHE CB C 14.944 0.744 -5.313 1.00 . B B . 4 PHE CB 1 1
6 3011 2 1 5 PHE CD1 C 12.889 2.109 -5.851 1.00 . B B . 4 PHE CD1 1 1
6 3012 2 1 5 PHE CD2 C 14.992 2.667 -6.935 1.00 . B B . 4 PHE CD2 1 1
6 3013 2 1 5 PHE CE1 C 12.268 3.198 -6.484 1.00 . B B . 4 PHE CE1 1 1
6 3014 2 1 5 PHE CE2 C 14.388 3.782 -7.534 1.00 . B B . 4 PHE CE2 1 1
6 3015 2 1 5 PHE CG C 14.255 1.860 -6.059 1.00 . B B . 4 PHE CG 1 1
6 3016 2 1 5 PHE CZ C 13.025 4.051 -7.307 1.00 . B B . 4 PHE CZ 1 1
6 3017 2 1 5 PHE H H 14.830 -0.154 -7.895 1.00 . B B . 4 PHE H 1 1
6 3018 2 1 5 PHE HA H 15.198 -1.354 -5.190 1.00 . B B . 4 PHE HA 1 1
6 3019 2 1 5 PHE HB2 H 14.627 0.792 -4.275 1.00 . B B . 4 PHE HB2 1 1
6 3020 2 1 5 PHE HB3 H 16.021 0.916 -5.329 1.00 . B B . 4 PHE HB3 1 1
6 3021 2 1 5 PHE HD1 H 12.324 1.446 -5.214 1.00 . B B . 4 PHE HD1 1 1
6 3022 2 1 5 PHE HD2 H 16.022 2.419 -7.138 1.00 . B B . 4 PHE HD2 1 1
6 3023 2 1 5 PHE HE1 H 11.216 3.383 -6.328 1.00 . B B . 4 PHE HE1 1 1
6 3024 2 1 5 PHE HE2 H 14.967 4.418 -8.184 1.00 . B B . 4 PHE HE2 1 1
6 3025 2 1 5 PHE HZ H 12.556 4.899 -7.781 1.00 . B B . 4 PHE HZ 1 1
6 3026 2 1 5 PHE N N 15.223 -0.766 -7.194 1.00 . B B . 4 PHE N 1 1
6 3027 2 1 5 PHE O O 12.686 -1.373 -4.741 1.00 . B B . 4 PHE O 1 1
6 3028 2 1 6 ARG C C 11.498 -3.163 -7.310 1.00 . B B . 5 ARG C 1 1
6 3029 2 1 6 ARG CA C 11.232 -1.667 -7.145 1.00 . B B . 5 ARG CA 1 1
6 3030 2 1 6 ARG CB C 10.508 -1.046 -8.348 1.00 . B B . 5 ARG CB 1 1
6 3031 2 1 6 ARG CD C 9.174 0.644 -6.885 1.00 . B B . 5 ARG CD 1 1
6 3032 2 1 6 ARG CG C 10.051 0.404 -8.120 1.00 . B B . 5 ARG CG 1 1
6 3033 2 1 6 ARG CZ C 6.878 -0.224 -7.402 1.00 . B B . 5 ARG CZ 1 1
6 3034 2 1 6 ARG H H 12.981 -0.691 -7.792 1.00 . B B . 5 ARG H 1 1
6 3035 2 1 6 ARG HA H 10.620 -1.532 -6.256 1.00 . B B . 5 ARG HA 1 1
6 3036 2 1 6 ARG HB2 H 11.173 -1.073 -9.212 1.00 . B B . 5 ARG HB2 1 1
6 3037 2 1 6 ARG HB3 H 9.633 -1.651 -8.585 1.00 . B B . 5 ARG HB3 1 1
6 3038 2 1 6 ARG HD2 H 9.790 0.549 -5.997 1.00 . B B . 5 ARG HD2 1 1
6 3039 2 1 6 ARG HD3 H 8.785 1.661 -6.903 1.00 . B B . 5 ARG HD3 1 1
6 3040 2 1 6 ARG HE H 8.236 -1.137 -6.234 1.00 . B B . 5 ARG HE 1 1
6 3041 2 1 6 ARG HG2 H 10.926 1.048 -8.043 1.00 . B B . 5 ARG HG2 1 1
6 3042 2 1 6 ARG HG3 H 9.485 0.706 -8.993 1.00 . B B . 5 ARG HG3 1 1
6 3043 2 1 6 ARG HH11 H 7.194 1.572 -8.305 1.00 . B B . 5 ARG HH11 1 1
6 3044 2 1 6 ARG HH12 H 5.631 0.850 -8.599 1.00 . B B . 5 ARG HH12 1 1
6 3045 2 1 6 ARG HH21 H 6.230 -2.013 -6.683 1.00 . B B . 5 ARG HH21 1 1
6 3046 2 1 6 ARG HH22 H 5.094 -1.156 -7.692 1.00 . B B . 5 ARG HH22 1 1
6 3047 2 1 6 ARG N N 12.514 -1.015 -6.956 1.00 . B B . 5 ARG N 1 1
6 3048 2 1 6 ARG NE N 8.066 -0.313 -6.792 1.00 . B B . 5 ARG NE 1 1
6 3049 2 1 6 ARG NH1 N 6.544 0.813 -8.170 1.00 . B B . 5 ARG NH1 1 1
6 3050 2 1 6 ARG NH2 N 5.996 -1.204 -7.238 1.00 . B B . 5 ARG NH2 1 1
6 3051 2 1 6 ARG O O 11.361 -3.714 -8.396 1.00 . B B . 5 ARG O 1 1
6 3052 2 1 7 ARG C C 11.264 -6.068 -5.661 1.00 . B B . 6 ARG C 1 1
6 3053 2 1 7 ARG CA C 12.395 -5.170 -6.143 1.00 . B B . 6 ARG CA 1 1
6 3054 2 1 7 ARG CB C 13.566 -5.225 -5.151 1.00 . B B . 6 ARG CB 1 1
6 3055 2 1 7 ARG CD C 15.581 -5.222 -6.773 1.00 . B B . 6 ARG CD 1 1
6 3056 2 1 7 ARG CG C 14.845 -4.524 -5.623 1.00 . B B . 6 ARG CG 1 1
6 3057 2 1 7 ARG CZ C 15.142 -5.609 -9.212 1.00 . B B . 6 ARG CZ 1 1
6 3058 2 1 7 ARG H H 12.032 -3.262 -5.374 1.00 . B B . 6 ARG H 1 1
6 3059 2 1 7 ARG HA H 12.721 -5.503 -7.123 1.00 . B B . 6 ARG HA 1 1
6 3060 2 1 7 ARG HB2 H 13.253 -4.724 -4.232 1.00 . B B . 6 ARG HB2 1 1
6 3061 2 1 7 ARG HB3 H 13.801 -6.263 -4.924 1.00 . B B . 6 ARG HB3 1 1
6 3062 2 1 7 ARG HD2 H 16.615 -4.884 -6.774 1.00 . B B . 6 ARG HD2 1 1
6 3063 2 1 7 ARG HD3 H 15.585 -6.295 -6.599 1.00 . B B . 6 ARG HD3 1 1
6 3064 2 1 7 ARG HE H 14.498 -4.024 -8.145 1.00 . B B . 6 ARG HE 1 1
6 3065 2 1 7 ARG HG2 H 14.603 -3.501 -5.903 1.00 . B B . 6 ARG HG2 1 1
6 3066 2 1 7 ARG HG3 H 15.528 -4.488 -4.777 1.00 . B B . 6 ARG HG3 1 1
6 3067 2 1 7 ARG HH11 H 16.207 -7.139 -8.396 1.00 . B B . 6 ARG HH11 1 1
6 3068 2 1 7 ARG HH12 H 15.879 -7.284 -10.106 1.00 . B B . 6 ARG HH12 1 1
6 3069 2 1 7 ARG HH21 H 14.079 -4.294 -10.343 1.00 . B B . 6 ARG HH21 1 1
6 3070 2 1 7 ARG HH22 H 14.676 -5.705 -11.189 1.00 . B B . 6 ARG HH22 1 1
6 3071 2 1 7 ARG N N 11.936 -3.798 -6.221 1.00 . B B . 6 ARG N 1 1
6 3072 2 1 7 ARG NE N 15.005 -4.896 -8.085 1.00 . B B . 6 ARG NE 1 1
6 3073 2 1 7 ARG NH1 N 15.810 -6.761 -9.245 1.00 . B B . 6 ARG NH1 1 1
6 3074 2 1 7 ARG NH2 N 14.594 -5.163 -10.341 1.00 . B B . 6 ARG NH2 1 1
6 3075 2 1 7 ARG O O 10.466 -5.658 -4.823 1.00 . B B . 6 ARG O 1 1
6 3076 2 1 8 ASP C C 10.554 -8.719 -4.199 1.00 . B B . 7 ASP C 1 1
6 3077 2 1 8 ASP CA C 10.316 -8.353 -5.674 1.00 . B B . 7 ASP CA 1 1
6 3078 2 1 8 ASP CB C 10.454 -9.584 -6.581 1.00 . B B . 7 ASP CB 1 1
6 3079 2 1 8 ASP CG C 11.593 -10.531 -6.198 1.00 . B B . 7 ASP CG 1 1
6 3080 2 1 8 ASP H H 11.939 -7.594 -6.815 1.00 . B B . 7 ASP H 1 1
6 3081 2 1 8 ASP HA H 9.301 -7.971 -5.779 1.00 . B B . 7 ASP HA 1 1
6 3082 2 1 8 ASP HB2 H 9.518 -10.135 -6.521 1.00 . B B . 7 ASP HB2 1 1
6 3083 2 1 8 ASP HB3 H 10.595 -9.262 -7.611 1.00 . B B . 7 ASP HB3 1 1
6 3084 2 1 8 ASP N N 11.242 -7.318 -6.139 1.00 . B B . 7 ASP N 1 1
6 3085 2 1 8 ASP O O 9.703 -9.329 -3.561 1.00 . B B . 7 ASP O 1 1
6 3086 2 1 8 ASP OD1 O 12.690 -10.060 -5.856 1.00 . B B . 7 ASP OD1 1 1
6 3087 2 1 8 ASP OD2 O 11.343 -11.752 -6.240 1.00 . B B . 7 ASP OD2 1 1
6 3088 2 1 9 SER C C 11.499 -7.972 -1.209 1.00 . B B . 8 SER C 1 1
6 3089 2 1 9 SER CA C 12.284 -8.589 -2.372 1.00 . B B . 8 SER CA 1 1
6 3090 2 1 9 SER CB C 13.713 -8.038 -2.352 1.00 . B B . 8 SER CB 1 1
6 3091 2 1 9 SER H H 12.365 -7.910 -4.345 1.00 . B B . 8 SER H 1 1
6 3092 2 1 9 SER HA H 12.322 -9.668 -2.233 1.00 . B B . 8 SER HA 1 1
6 3093 2 1 9 SER HB2 H 13.681 -6.948 -2.331 1.00 . B B . 8 SER HB2 1 1
6 3094 2 1 9 SER HB3 H 14.222 -8.399 -1.462 1.00 . B B . 8 SER HB3 1 1
6 3095 2 1 9 SER HG H 14.496 -9.405 -3.483 1.00 . B B . 8 SER HG 1 1
6 3096 2 1 9 SER N N 11.725 -8.328 -3.687 1.00 . B B . 8 SER N 1 1
6 3097 2 1 9 SER O O 11.963 -8.053 -0.079 1.00 . B B . 8 SER O 1 1
6 3098 2 1 9 SER OG O 14.433 -8.443 -3.492 1.00 . B B . 8 SER OG 1 1
6 3099 2 1 10 GLY C C 8.019 -7.105 -1.050 1.00 . B B . 9 GLY C 1 1
6 3100 2 1 10 GLY CA C 9.412 -6.885 -0.456 1.00 . B B . 9 GLY CA 1 1
6 3101 2 1 10 GLY H H 10.014 -7.298 -2.415 1.00 . B B . 9 GLY H 1 1
6 3102 2 1 10 GLY HA2 H 9.527 -7.438 0.474 1.00 . B B . 9 GLY HA2 1 1
6 3103 2 1 10 GLY HA3 H 9.609 -5.835 -0.244 1.00 . B B . 9 GLY HA3 1 1
6 3104 2 1 10 GLY N N 10.348 -7.342 -1.461 1.00 . B B . 9 GLY N 1 1
6 3105 2 1 10 GLY O O 7.621 -8.242 -1.258 1.00 . B B . 9 GLY O 1 1
6 3106 2 1 11 TYR C C 6.306 -3.866 -1.511 1.00 . B B . 10 TYR C 1 1
6 3107 2 1 11 TYR CA C 7.552 -4.676 -1.219 1.00 . B B . 10 TYR CA 1 1
6 3108 2 1 11 TYR CB C 8.658 -4.239 -2.189 1.00 . B B . 10 TYR CB 1 1
6 3109 2 1 11 TYR CD1 C 9.594 -2.554 -0.540 1.00 . B B . 10 TYR CD1 1 1
6 3110 2 1 11 TYR CD2 C 11.124 -3.851 -1.921 1.00 . B B . 10 TYR CD2 1 1
6 3111 2 1 11 TYR CE1 C 10.675 -1.886 0.046 1.00 . B B . 10 TYR CE1 1 1
6 3112 2 1 11 TYR CE2 C 12.211 -3.186 -1.341 1.00 . B B . 10 TYR CE2 1 1
6 3113 2 1 11 TYR CG C 9.815 -3.528 -1.533 1.00 . B B . 10 TYR CG 1 1
6 3114 2 1 11 TYR CZ C 11.989 -2.184 -0.369 1.00 . B B . 10 TYR CZ 1 1
6 3115 2 1 11 TYR H H 6.425 -6.260 -1.925 1.00 . B B . 10 TYR H 1 1
6 3116 2 1 11 TYR HA H 7.859 -4.516 -0.186 1.00 . B B . 10 TYR HA 1 1
6 3117 2 1 11 TYR HB2 H 9.049 -5.107 -2.712 1.00 . B B . 10 TYR HB2 1 1
6 3118 2 1 11 TYR HB3 H 8.237 -3.594 -2.957 1.00 . B B . 10 TYR HB3 1 1
6 3119 2 1 11 TYR HD1 H 8.598 -2.299 -0.233 1.00 . B B . 10 TYR HD1 1 1
6 3120 2 1 11 TYR HD2 H 11.297 -4.612 -2.663 1.00 . B B . 10 TYR HD2 1 1
6 3121 2 1 11 TYR HE1 H 10.491 -1.145 0.803 1.00 . B B . 10 TYR HE1 1 1
6 3122 2 1 11 TYR HE2 H 13.212 -3.451 -1.638 1.00 . B B . 10 TYR HE2 1 1
6 3123 2 1 11 TYR HH H 13.882 -1.780 -0.205 1.00 . B B . 10 TYR HH 1 1
6 3124 2 1 11 TYR N N 7.252 -6.073 -1.388 1.00 . B B . 10 TYR N 1 1
6 3125 2 1 11 TYR O O 5.565 -4.168 -2.442 1.00 . B B . 10 TYR O 1 1
6 3126 2 1 11 TYR OH O 13.039 -1.508 0.164 1.00 . B B . 10 TYR OH 1 1
6 3127 2 1 12 GLU C C 6.217 -0.396 -0.874 1.00 . B B . 11 GLU C 1 1
6 3128 2 1 12 GLU CA C 5.356 -1.640 -1.122 1.00 . B B . 11 GLU CA 1 1
6 3129 2 1 12 GLU CB C 4.065 -1.673 -0.312 1.00 . B B . 11 GLU CB 1 1
6 3130 2 1 12 GLU CD C 2.068 -0.197 0.137 1.00 . B B . 11 GLU CD 1 1
6 3131 2 1 12 GLU CG C 3.067 -0.677 -0.896 1.00 . B B . 11 GLU CG 1 1
6 3132 2 1 12 GLU H H 6.779 -2.650 0.024 1.00 . B B . 11 GLU H 1 1
6 3133 2 1 12 GLU HA H 5.114 -1.710 -2.180 1.00 . B B . 11 GLU HA 1 1
6 3134 2 1 12 GLU HB2 H 3.630 -2.672 -0.344 1.00 . B B . 11 GLU HB2 1 1
6 3135 2 1 12 GLU HB3 H 4.292 -1.423 0.725 1.00 . B B . 11 GLU HB3 1 1
6 3136 2 1 12 GLU HG2 H 3.598 0.202 -1.270 1.00 . B B . 11 GLU HG2 1 1
6 3137 2 1 12 GLU HG3 H 2.540 -1.136 -1.731 1.00 . B B . 11 GLU HG3 1 1
6 3138 2 1 12 GLU N N 6.163 -2.776 -0.765 1.00 . B B . 11 GLU N 1 1
6 3139 2 1 12 GLU O O 6.007 0.341 0.088 1.00 . B B . 11 GLU O 1 1
6 3140 2 1 12 GLU OE1 O 1.755 -0.967 1.085 1.00 . B B . 11 GLU OE1 1 1
6 3141 2 1 12 GLU OE2 O 1.654 0.952 0.015 1.00 . B B . 11 GLU OE2 1 1
6 3142 2 1 13 VAL C C 7.907 2.121 -1.233 1.00 . B B . 12 VAL C 1 1
6 3143 2 1 13 VAL CA C 8.332 0.726 -1.681 1.00 . B B . 12 VAL CA 1 1
6 3144 2 1 13 VAL CB C 9.008 0.776 -3.073 1.00 . B B . 12 VAL CB 1 1
6 3145 2 1 13 VAL CG1 C 9.888 2.015 -3.269 1.00 . B B . 12 VAL CG1 1 1
6 3146 2 1 13 VAL CG2 C 9.892 -0.462 -3.270 1.00 . B B . 12 VAL CG2 1 1
6 3147 2 1 13 VAL H H 7.270 -0.875 -2.512 1.00 . B B . 12 VAL H 1 1
6 3148 2 1 13 VAL HA H 9.064 0.353 -0.974 1.00 . B B . 12 VAL HA 1 1
6 3149 2 1 13 VAL HB H 8.239 0.795 -3.848 1.00 . B B . 12 VAL HB 1 1
6 3150 2 1 13 VAL HG11 H 9.275 2.915 -3.274 1.00 . B B . 12 VAL HG11 1 1
6 3151 2 1 13 VAL HG12 H 10.616 2.066 -2.461 1.00 . B B . 12 VAL HG12 1 1
6 3152 2 1 13 VAL HG13 H 10.401 1.962 -4.226 1.00 . B B . 12 VAL HG13 1 1
6 3153 2 1 13 VAL HG21 H 10.374 -0.421 -4.240 1.00 . B B . 12 VAL HG21 1 1
6 3154 2 1 13 VAL HG22 H 10.661 -0.498 -2.499 1.00 . B B . 12 VAL HG22 1 1
6 3155 2 1 13 VAL HG23 H 9.284 -1.363 -3.228 1.00 . B B . 12 VAL HG23 1 1
6 3156 2 1 13 VAL N N 7.222 -0.223 -1.745 1.00 . B B . 12 VAL N 1 1
6 3157 2 1 13 VAL O O 8.649 2.781 -0.504 1.00 . B B . 12 VAL O 1 1
6 3158 2 1 14 HIS C C 6.131 4.480 -0.225 1.00 . B B . 13 HIS C 1 1
6 3159 2 1 14 HIS CA C 6.329 3.951 -1.637 1.00 . B B . 13 HIS CA 1 1
6 3160 2 1 14 HIS CB C 5.048 4.127 -2.444 1.00 . B B . 13 HIS CB 1 1
6 3161 2 1 14 HIS CD2 C 6.262 3.803 -4.682 1.00 . B B . 13 HIS CD2 1 1
6 3162 2 1 14 HIS CE1 C 4.911 2.367 -5.627 1.00 . B B . 13 HIS CE1 1 1
6 3163 2 1 14 HIS CG C 5.191 3.620 -3.851 1.00 . B B . 13 HIS CG 1 1
6 3164 2 1 14 HIS H H 6.168 1.944 -2.255 1.00 . B B . 13 HIS H 1 1
6 3165 2 1 14 HIS HA H 7.127 4.529 -2.103 1.00 . B B . 13 HIS HA 1 1
6 3166 2 1 14 HIS HB2 H 4.251 3.577 -1.950 1.00 . B B . 13 HIS HB2 1 1
6 3167 2 1 14 HIS HB3 H 4.770 5.177 -2.457 1.00 . B B . 13 HIS HB3 1 1
6 3168 2 1 14 HIS HD1 H 3.505 2.346 -4.070 1.00 . B B . 13 HIS HD1 1 1
6 3169 2 1 14 HIS HD2 H 7.131 4.411 -4.477 1.00 . B B . 13 HIS HD2 1 1
6 3170 2 1 14 HIS HE1 H 4.485 1.659 -6.318 1.00 . B B . 13 HIS HE1 1 1
6 3171 2 1 14 HIS N N 6.733 2.563 -1.691 1.00 . B B . 13 HIS N 1 1
6 3172 2 1 14 HIS ND1 N 4.358 2.723 -4.461 1.00 . B B . 13 HIS ND1 1 1
6 3173 2 1 14 HIS NE2 N 6.082 2.989 -5.802 1.00 . B B . 13 HIS NE2 1 1
6 3174 2 1 14 HIS O O 6.214 5.687 -0.061 1.00 . B B . 13 HIS O 1 1
6 3175 2 1 15 HIS C C 6.722 2.936 3.041 1.00 . B B . 14 HIS C 1 1
6 3176 2 1 15 HIS CA C 6.053 4.016 2.183 1.00 . B B . 14 HIS CA 1 1
6 3177 2 1 15 HIS CB C 4.704 4.481 2.753 1.00 . B B . 14 HIS CB 1 1
6 3178 2 1 15 HIS CD2 C 2.713 2.983 2.150 1.00 . B B . 14 HIS CD2 1 1
6 3179 2 1 15 HIS CE1 C 2.616 1.728 3.945 1.00 . B B . 14 HIS CE1 1 1
6 3180 2 1 15 HIS CG C 3.714 3.374 2.991 1.00 . B B . 14 HIS CG 1 1
6 3181 2 1 15 HIS H H 5.859 2.632 0.570 1.00 . B B . 14 HIS H 1 1
6 3182 2 1 15 HIS HA H 6.724 4.875 2.225 1.00 . B B . 14 HIS HA 1 1
6 3183 2 1 15 HIS HB2 H 4.887 4.980 3.704 1.00 . B B . 14 HIS HB2 1 1
6 3184 2 1 15 HIS HB3 H 4.261 5.216 2.081 1.00 . B B . 14 HIS HB3 1 1
6 3185 2 1 15 HIS HD1 H 4.237 2.632 4.919 1.00 . B B . 14 HIS HD1 1 1
6 3186 2 1 15 HIS HD2 H 2.490 3.412 1.184 1.00 . B B . 14 HIS HD2 1 1
6 3187 2 1 15 HIS HE1 H 2.306 0.991 4.671 1.00 . B B . 14 HIS HE1 1 1
6 3188 2 1 15 HIS N N 5.931 3.620 0.782 1.00 . B B . 14 HIS N 1 1
6 3189 2 1 15 HIS ND1 N 3.637 2.578 4.109 1.00 . B B . 14 HIS ND1 1 1
6 3190 2 1 15 HIS NE2 N 2.019 1.939 2.765 1.00 . B B . 14 HIS NE2 1 1
6 3191 2 1 15 HIS O O 6.848 3.131 4.247 1.00 . B B . 14 HIS O 1 1
6 3192 2 1 16 GLN C C 9.582 1.469 2.772 1.00 . B B . 15 GLN C 1 1
6 3193 2 1 16 GLN CA C 8.165 0.937 3.038 1.00 . B B . 15 GLN CA 1 1
6 3194 2 1 16 GLN CB C 7.957 -0.500 2.541 1.00 . B B . 15 GLN CB 1 1
6 3195 2 1 16 GLN CD C 6.398 -2.510 2.503 1.00 . B B . 15 GLN CD 1 1
6 3196 2 1 16 GLN CG C 6.613 -1.082 3.001 1.00 . B B . 15 GLN CG 1 1
6 3197 2 1 16 GLN H H 7.025 1.701 1.453 1.00 . B B . 15 GLN H 1 1
6 3198 2 1 16 GLN HA H 7.999 0.936 4.107 1.00 . B B . 15 GLN HA 1 1
6 3199 2 1 16 GLN HB2 H 8.032 -0.524 1.454 1.00 . B B . 15 GLN HB2 1 1
6 3200 2 1 16 GLN HB3 H 8.740 -1.137 2.949 1.00 . B B . 15 GLN HB3 1 1
6 3201 2 1 16 GLN HE21 H 4.499 -2.534 3.221 1.00 . B B . 15 GLN HE21 1 1
6 3202 2 1 16 GLN HE22 H 5.022 -3.999 2.413 1.00 . B B . 15 GLN HE22 1 1
6 3203 2 1 16 GLN HG2 H 6.582 -1.084 4.091 1.00 . B B . 15 GLN HG2 1 1
6 3204 2 1 16 GLN HG3 H 5.794 -0.457 2.642 1.00 . B B . 15 GLN HG3 1 1
6 3205 2 1 16 GLN N N 7.192 1.834 2.436 1.00 . B B . 15 GLN N 1 1
6 3206 2 1 16 GLN NE2 N 5.206 -3.055 2.723 1.00 . B B . 15 GLN NE2 1 1
6 3207 2 1 16 GLN O O 9.754 2.659 2.508 1.00 . B B . 15 GLN O 1 1
6 3208 2 1 16 GLN OE1 O 7.285 -3.123 1.918 1.00 . B B . 15 GLN OE1 1 1
6 3209 2 1 17 LYS C C 12.442 1.487 1.368 1.00 . B B . 16 LYS C 1 1
6 3210 2 1 17 LYS CA C 12.010 1.006 2.765 1.00 . B B . 16 LYS CA 1 1
6 3211 2 1 17 LYS CB C 12.917 -0.137 3.260 1.00 . B B . 16 LYS CB 1 1
6 3212 2 1 17 LYS CD C 13.599 -1.632 5.172 1.00 . B B . 16 LYS CD 1 1
6 3213 2 1 17 LYS CE C 13.141 -2.352 6.439 1.00 . B B . 16 LYS CE 1 1
6 3214 2 1 17 LYS CG C 12.545 -0.643 4.655 1.00 . B B . 16 LYS CG 1 1
6 3215 2 1 17 LYS H H 10.417 -0.359 3.062 1.00 . B B . 16 LYS H 1 1
6 3216 2 1 17 LYS HA H 12.139 1.847 3.442 1.00 . B B . 16 LYS HA 1 1
6 3217 2 1 17 LYS HB2 H 12.852 -0.979 2.575 1.00 . B B . 16 LYS HB2 1 1
6 3218 2 1 17 LYS HB3 H 13.949 0.213 3.281 1.00 . B B . 16 LYS HB3 1 1
6 3219 2 1 17 LYS HD2 H 13.809 -2.378 4.406 1.00 . B B . 16 LYS HD2 1 1
6 3220 2 1 17 LYS HD3 H 14.517 -1.085 5.388 1.00 . B B . 16 LYS HD3 1 1
6 3221 2 1 17 LYS HE2 H 13.975 -2.927 6.838 1.00 . B B . 16 LYS HE2 1 1
6 3222 2 1 17 LYS HE3 H 12.831 -1.622 7.185 1.00 . B B . 16 LYS HE3 1 1
6 3223 2 1 17 LYS HG2 H 12.475 0.203 5.331 1.00 . B B . 16 LYS HG2 1 1
6 3224 2 1 17 LYS HG3 H 11.576 -1.136 4.601 1.00 . B B . 16 LYS HG3 1 1
6 3225 2 1 17 LYS HZ1 H 11.233 -2.755 5.812 1.00 . B B . 16 LYS HZ1 1 1
6 3226 2 1 17 LYS HZ2 H 12.313 -3.941 5.458 1.00 . B B . 16 LYS HZ2 1 1
6 3227 2 1 17 LYS HZ3 H 11.770 -3.768 7.000 1.00 . B B . 16 LYS HZ3 1 1
6 3228 2 1 17 LYS N N 10.606 0.611 2.852 1.00 . B B . 16 LYS N 1 1
6 3229 2 1 17 LYS NZ N 12.029 -3.271 6.160 1.00 . B B . 16 LYS NZ 1 1
6 3230 2 1 17 LYS O O 13.609 1.811 1.189 1.00 . B B . 16 LYS O 1 1
6 3231 2 1 18 NH2 HN1 H 10.588 1.322 0.540 1.00 . B B . 17 NH2 HN1 1 1
6 3232 2 1 18 NH2 HN2 H 11.848 1.883 -0.538 1.00 . B B . 17 NH2 HN2 1 1
6 3233 2 1 18 NH2 N N 11.555 1.551 0.370 1.00 . B B . 17 NH2 N 1 1
6 3234 3 2 1 ZN ZN ZN 0.699 0.680 1.807 1.00 . C A . 101 ZN ZN 1 1
7 3235 1 1 1 ACE C C -12.571 -4.531 -0.011 1.00 . A A . 0 ACE C 1 1
7 3236 1 1 1 ACE CH3 C -11.228 -4.801 0.646 1.00 . A A . 0 ACE CH3 1 1
7 3237 1 1 1 ACE H1 H -10.426 -4.620 -0.070 1.00 . A A . 0 ACE H1 1 1
7 3238 1 1 1 ACE H2 H -11.106 -4.151 1.512 1.00 . A A . 0 ACE H2 1 1
7 3239 1 1 1 ACE H3 H -11.190 -5.838 0.975 1.00 . A A . 0 ACE H3 1 1
7 3240 1 1 1 ACE O O -12.629 -4.331 -1.221 1.00 . A A . 0 ACE O 1 1
7 3241 1 1 2 ASP C C -15.492 -3.060 0.040 1.00 . A A . 1 ASP C 1 1
7 3242 1 1 2 ASP CA C -15.025 -4.492 0.349 1.00 . A A . 1 ASP CA 1 1
7 3243 1 1 2 ASP CB C -15.914 -5.175 1.402 1.00 . A A . 1 ASP CB 1 1
7 3244 1 1 2 ASP CG C -17.178 -5.806 0.821 1.00 . A A . 1 ASP CG 1 1
7 3245 1 1 2 ASP H H -13.491 -4.727 1.779 1.00 . A A . 1 ASP H 1 1
7 3246 1 1 2 ASP HA H -15.083 -5.075 -0.569 1.00 . A A . 1 ASP HA 1 1
7 3247 1 1 2 ASP HB2 H -15.363 -5.977 1.887 1.00 . A A . 1 ASP HB2 1 1
7 3248 1 1 2 ASP HB3 H -16.182 -4.457 2.177 1.00 . A A . 1 ASP HB3 1 1
7 3249 1 1 2 ASP N N -13.638 -4.550 0.795 1.00 . A A . 1 ASP N 1 1
7 3250 1 1 2 ASP O O -14.754 -2.104 0.265 1.00 . A A . 1 ASP O 1 1
7 3251 1 1 2 ASP OD1 O -17.398 -5.734 -0.407 1.00 . A A . 1 ASP OD1 1 1
7 3252 1 1 2 ASP OD2 O -17.936 -6.374 1.621 1.00 . A A . 1 ASP OD2 1 1
7 3253 1 1 3 ALA C C -17.347 -0.553 -0.078 1.00 . A A . 2 ALA C 1 1
7 3254 1 1 3 ALA CA C -17.280 -1.716 -1.067 1.00 . A A . 2 ALA CA 1 1
7 3255 1 1 3 ALA CB C -18.676 -2.034 -1.610 1.00 . A A . 2 ALA CB 1 1
7 3256 1 1 3 ALA H H -17.264 -3.772 -0.623 1.00 . A A . 2 ALA H 1 1
7 3257 1 1 3 ALA HA H -16.646 -1.425 -1.899 1.00 . A A . 2 ALA HA 1 1
7 3258 1 1 3 ALA HB1 H -19.102 -1.143 -2.070 1.00 . A A . 2 ALA HB1 1 1
7 3259 1 1 3 ALA HB2 H -18.612 -2.828 -2.352 1.00 . A A . 2 ALA HB2 1 1
7 3260 1 1 3 ALA HB3 H -19.330 -2.358 -0.801 1.00 . A A . 2 ALA HB3 1 1
7 3261 1 1 3 ALA N N -16.717 -2.933 -0.493 1.00 . A A . 2 ALA N 1 1
7 3262 1 1 3 ALA O O -17.015 0.571 -0.436 1.00 . A A . 2 ALA O 1 1
7 3263 1 1 4 GLU C C -16.346 0.661 2.654 1.00 . A A . 3 GLU C 1 1
7 3264 1 1 4 GLU CA C -17.720 0.063 2.314 1.00 . A A . 3 GLU CA 1 1
7 3265 1 1 4 GLU CB C -18.240 -0.740 3.509 1.00 . A A . 3 GLU CB 1 1
7 3266 1 1 4 GLU CD C -17.879 -2.895 4.752 1.00 . A A . 3 GLU CD 1 1
7 3267 1 1 4 GLU CG C -17.244 -1.850 3.872 1.00 . A A . 3 GLU CG 1 1
7 3268 1 1 4 GLU H H -17.986 -1.798 1.360 1.00 . A A . 3 GLU H 1 1
7 3269 1 1 4 GLU HA H -18.404 0.883 2.112 1.00 . A A . 3 GLU HA 1 1
7 3270 1 1 4 GLU HB2 H -18.375 -0.081 4.366 1.00 . A A . 3 GLU HB2 1 1
7 3271 1 1 4 GLU HB3 H -19.204 -1.179 3.255 1.00 . A A . 3 GLU HB3 1 1
7 3272 1 1 4 GLU HG2 H -16.867 -2.349 2.978 1.00 . A A . 3 GLU HG2 1 1
7 3273 1 1 4 GLU HG3 H -16.405 -1.405 4.394 1.00 . A A . 3 GLU HG3 1 1
7 3274 1 1 4 GLU N N -17.721 -0.842 1.168 1.00 . A A . 3 GLU N 1 1
7 3275 1 1 4 GLU O O -16.277 1.604 3.434 1.00 . A A . 3 GLU O 1 1
7 3276 1 1 4 GLU OE1 O -17.874 -2.673 5.981 1.00 . A A . 3 GLU OE1 1 1
7 3277 1 1 4 GLU OE2 O -18.368 -3.893 4.211 1.00 . A A . 3 GLU OE2 1 1
7 3278 1 1 5 PHE C C -13.319 1.249 1.053 1.00 . A A . 4 PHE C 1 1
7 3279 1 1 5 PHE CA C -13.902 0.608 2.306 1.00 . A A . 4 PHE CA 1 1
7 3280 1 1 5 PHE CB C -13.015 -0.538 2.792 1.00 . A A . 4 PHE CB 1 1
7 3281 1 1 5 PHE CD1 C -13.925 -0.526 5.155 1.00 . A A . 4 PHE CD1 1 1
7 3282 1 1 5 PHE CD2 C -13.757 -2.647 3.979 1.00 . A A . 4 PHE CD2 1 1
7 3283 1 1 5 PHE CE1 C -14.437 -1.190 6.281 1.00 . A A . 4 PHE CE1 1 1
7 3284 1 1 5 PHE CE2 C -14.274 -3.312 5.103 1.00 . A A . 4 PHE CE2 1 1
7 3285 1 1 5 PHE CG C -13.572 -1.255 4.005 1.00 . A A . 4 PHE CG 1 1
7 3286 1 1 5 PHE CZ C -14.606 -2.585 6.260 1.00 . A A . 4 PHE CZ 1 1
7 3287 1 1 5 PHE H H -15.370 -0.725 1.560 1.00 . A A . 4 PHE H 1 1
7 3288 1 1 5 PHE HA H -13.909 1.382 3.071 1.00 . A A . 4 PHE HA 1 1
7 3289 1 1 5 PHE HB2 H -12.877 -1.251 1.978 1.00 . A A . 4 PHE HB2 1 1
7 3290 1 1 5 PHE HB3 H -12.033 -0.140 3.049 1.00 . A A . 4 PHE HB3 1 1
7 3291 1 1 5 PHE HD1 H -13.819 0.546 5.168 1.00 . A A . 4 PHE HD1 1 1
7 3292 1 1 5 PHE HD2 H -13.501 -3.201 3.092 1.00 . A A . 4 PHE HD2 1 1
7 3293 1 1 5 PHE HE1 H -14.694 -0.624 7.162 1.00 . A A . 4 PHE HE1 1 1
7 3294 1 1 5 PHE HE2 H -14.422 -4.378 5.072 1.00 . A A . 4 PHE HE2 1 1
7 3295 1 1 5 PHE HZ H -15.004 -3.095 7.125 1.00 . A A . 4 PHE HZ 1 1
7 3296 1 1 5 PHE N N -15.258 0.115 2.107 1.00 . A A . 4 PHE N 1 1
7 3297 1 1 5 PHE O O -12.310 1.931 1.172 1.00 . A A . 4 PHE O 1 1
7 3298 1 1 6 ARG C C -13.854 3.231 -1.419 1.00 . A A . 5 ARG C 1 1
7 3299 1 1 6 ARG CA C -13.507 1.731 -1.367 1.00 . A A . 5 ARG CA 1 1
7 3300 1 1 6 ARG CB C -14.074 0.965 -2.572 1.00 . A A . 5 ARG CB 1 1
7 3301 1 1 6 ARG CD C -12.393 -0.973 -2.168 1.00 . A A . 5 ARG CD 1 1
7 3302 1 1 6 ARG CG C -13.796 -0.549 -2.610 1.00 . A A . 5 ARG CG 1 1
7 3303 1 1 6 ARG CZ C -10.296 -0.904 -3.549 1.00 . A A . 5 ARG CZ 1 1
7 3304 1 1 6 ARG H H -14.790 0.542 -0.163 1.00 . A A . 5 ARG H 1 1
7 3305 1 1 6 ARG HA H -12.421 1.657 -1.405 1.00 . A A . 5 ARG HA 1 1
7 3306 1 1 6 ARG HB2 H -15.149 1.114 -2.576 1.00 . A A . 5 ARG HB2 1 1
7 3307 1 1 6 ARG HB3 H -13.665 1.401 -3.482 1.00 . A A . 5 ARG HB3 1 1
7 3308 1 1 6 ARG HD2 H -12.249 -0.712 -1.121 1.00 . A A . 5 ARG HD2 1 1
7 3309 1 1 6 ARG HD3 H -12.313 -2.053 -2.253 1.00 . A A . 5 ARG HD3 1 1
7 3310 1 1 6 ARG HE H -11.423 0.686 -3.051 1.00 . A A . 5 ARG HE 1 1
7 3311 1 1 6 ARG HG2 H -14.510 -1.043 -1.962 1.00 . A A . 5 ARG HG2 1 1
7 3312 1 1 6 ARG HG3 H -13.972 -0.910 -3.623 1.00 . A A . 5 ARG HG3 1 1
7 3313 1 1 6 ARG HH11 H -10.793 -2.815 -3.063 1.00 . A A . 5 ARG HH11 1 1
7 3314 1 1 6 ARG HH12 H -9.318 -2.627 -3.983 1.00 . A A . 5 ARG HH12 1 1
7 3315 1 1 6 ARG HH21 H -9.524 0.847 -4.231 1.00 . A A . 5 ARG HH21 1 1
7 3316 1 1 6 ARG HH22 H -8.619 -0.588 -4.656 1.00 . A A . 5 ARG HH22 1 1
7 3317 1 1 6 ARG N N -13.953 1.106 -0.121 1.00 . A A . 5 ARG N 1 1
7 3318 1 1 6 ARG NE N -11.349 -0.318 -2.965 1.00 . A A . 5 ARG NE 1 1
7 3319 1 1 6 ARG NH1 N -10.108 -2.220 -3.506 1.00 . A A . 5 ARG NH1 1 1
7 3320 1 1 6 ARG NH2 N -9.408 -0.157 -4.198 1.00 . A A . 5 ARG NH2 1 1
7 3321 1 1 6 ARG O O -14.136 3.765 -2.489 1.00 . A A . 5 ARG O 1 1
7 3322 1 1 7 ARG C C -13.122 6.244 -0.291 1.00 . A A . 6 ARG C 1 1
7 3323 1 1 7 ARG CA C -14.266 5.266 -0.007 1.00 . A A . 6 ARG CA 1 1
7 3324 1 1 7 ARG CB C -14.681 5.407 1.467 1.00 . A A . 6 ARG CB 1 1
7 3325 1 1 7 ARG CD C -17.005 4.251 1.348 1.00 . A A . 6 ARG CD 1 1
7 3326 1 1 7 ARG CG C -15.629 4.327 2.002 1.00 . A A . 6 ARG CG 1 1
7 3327 1 1 7 ARG CZ C -17.374 3.843 -1.103 1.00 . A A . 6 ARG CZ 1 1
7 3328 1 1 7 ARG H H -13.626 3.367 0.573 1.00 . A A . 6 ARG H 1 1
7 3329 1 1 7 ARG HA H -15.123 5.491 -0.630 1.00 . A A . 6 ARG HA 1 1
7 3330 1 1 7 ARG HB2 H -13.781 5.365 2.081 1.00 . A A . 6 ARG HB2 1 1
7 3331 1 1 7 ARG HB3 H -15.143 6.383 1.619 1.00 . A A . 6 ARG HB3 1 1
7 3332 1 1 7 ARG HD2 H -17.679 3.756 2.044 1.00 . A A . 6 ARG HD2 1 1
7 3333 1 1 7 ARG HD3 H -17.373 5.256 1.171 1.00 . A A . 6 ARG HD3 1 1
7 3334 1 1 7 ARG HE H -16.756 2.476 0.237 1.00 . A A . 6 ARG HE 1 1
7 3335 1 1 7 ARG HG2 H -15.141 3.359 1.938 1.00 . A A . 6 ARG HG2 1 1
7 3336 1 1 7 ARG HG3 H -15.795 4.545 3.048 1.00 . A A . 6 ARG HG3 1 1
7 3337 1 1 7 ARG HH11 H -17.758 5.792 -0.644 1.00 . A A . 6 ARG HH11 1 1
7 3338 1 1 7 ARG HH12 H -18.002 5.354 -2.319 1.00 . A A . 6 ARG HH12 1 1
7 3339 1 1 7 ARG HH21 H -17.135 1.981 -1.891 1.00 . A A . 6 ARG HH21 1 1
7 3340 1 1 7 ARG HH22 H -17.657 3.212 -3.016 1.00 . A A . 6 ARG HH22 1 1
7 3341 1 1 7 ARG N N -13.865 3.892 -0.254 1.00 . A A . 6 ARG N 1 1
7 3342 1 1 7 ARG NE N -17.006 3.448 0.122 1.00 . A A . 6 ARG NE 1 1
7 3343 1 1 7 ARG NH1 N -17.737 5.099 -1.379 1.00 . A A . 6 ARG NH1 1 1
7 3344 1 1 7 ARG NH2 N -17.378 2.943 -2.084 1.00 . A A . 6 ARG NH2 1 1
7 3345 1 1 7 ARG O O -11.951 5.871 -0.245 1.00 . A A . 6 ARG O 1 1
7 3346 1 1 8 ASP C C -11.885 8.770 1.015 1.00 . A A . 7 ASP C 1 1
7 3347 1 1 8 ASP CA C -12.452 8.596 -0.404 1.00 . A A . 7 ASP CA 1 1
7 3348 1 1 8 ASP CB C -13.075 9.906 -0.890 1.00 . A A . 7 ASP CB 1 1
7 3349 1 1 8 ASP CG C -13.891 10.605 0.195 1.00 . A A . 7 ASP CG 1 1
7 3350 1 1 8 ASP H H -14.419 7.793 -0.494 1.00 . A A . 7 ASP H 1 1
7 3351 1 1 8 ASP HA H -11.636 8.337 -1.079 1.00 . A A . 7 ASP HA 1 1
7 3352 1 1 8 ASP HB2 H -12.267 10.569 -1.191 1.00 . A A . 7 ASP HB2 1 1
7 3353 1 1 8 ASP HB3 H -13.699 9.715 -1.759 1.00 . A A . 7 ASP HB3 1 1
7 3354 1 1 8 ASP N N -13.445 7.528 -0.464 1.00 . A A . 7 ASP N 1 1
7 3355 1 1 8 ASP O O -10.849 9.398 1.182 1.00 . A A . 7 ASP O 1 1
7 3356 1 1 8 ASP OD1 O -15.079 10.261 0.364 1.00 . A A . 7 ASP OD1 1 1
7 3357 1 1 8 ASP OD2 O -13.307 11.476 0.865 1.00 . A A . 7 ASP OD2 1 1
7 3358 1 1 9 SER C C -11.015 7.764 3.964 1.00 . A A . 8 SER C 1 1
7 3359 1 1 9 SER CA C -12.326 8.391 3.453 1.00 . A A . 8 SER CA 1 1
7 3360 1 1 9 SER CB C -13.522 7.818 4.229 1.00 . A A . 8 SER CB 1 1
7 3361 1 1 9 SER H H -13.471 7.834 1.784 1.00 . A A . 8 SER H 1 1
7 3362 1 1 9 SER HA H -12.267 9.459 3.655 1.00 . A A . 8 SER HA 1 1
7 3363 1 1 9 SER HB2 H -13.524 6.733 4.138 1.00 . A A . 8 SER HB2 1 1
7 3364 1 1 9 SER HB3 H -13.421 8.083 5.282 1.00 . A A . 8 SER HB3 1 1
7 3365 1 1 9 SER HG H -15.373 8.345 4.484 1.00 . A A . 8 SER HG 1 1
7 3366 1 1 9 SER N N -12.581 8.239 2.025 1.00 . A A . 8 SER N 1 1
7 3367 1 1 9 SER O O -10.853 7.630 5.173 1.00 . A A . 8 SER O 1 1
7 3368 1 1 9 SER OG O -14.753 8.318 3.748 1.00 . A A . 8 SER OG 1 1
7 3369 1 1 10 GLY C C -7.810 7.406 2.317 1.00 . A A . 9 GLY C 1 1
7 3370 1 1 10 GLY CA C -8.725 7.017 3.477 1.00 . A A . 9 GLY CA 1 1
7 3371 1 1 10 GLY H H -10.232 7.477 2.101 1.00 . A A . 9 GLY H 1 1
7 3372 1 1 10 GLY HA2 H -8.422 7.543 4.382 1.00 . A A . 9 GLY HA2 1 1
7 3373 1 1 10 GLY HA3 H -8.697 5.953 3.694 1.00 . A A . 9 GLY HA3 1 1
7 3374 1 1 10 GLY N N -10.075 7.376 3.095 1.00 . A A . 9 GLY N 1 1
7 3375 1 1 10 GLY O O -7.772 8.574 1.948 1.00 . A A . 9 GLY O 1 1
7 3376 1 1 11 TYR C C -5.966 4.374 1.178 1.00 . A A . 10 TYR C 1 1
7 3377 1 1 11 TYR CA C -7.097 5.058 1.929 1.00 . A A . 10 TYR CA 1 1
7 3378 1 1 11 TYR CB C -8.425 4.464 1.436 1.00 . A A . 10 TYR CB 1 1
7 3379 1 1 11 TYR CD1 C -8.561 2.708 3.252 1.00 . A A . 10 TYR CD1 1 1
7 3380 1 1 11 TYR CD2 C -10.560 3.966 2.671 1.00 . A A . 10 TYR CD2 1 1
7 3381 1 1 11 TYR CE1 C -9.278 1.985 4.209 1.00 . A A . 10 TYR CE1 1 1
7 3382 1 1 11 TYR CE2 C -11.293 3.232 3.613 1.00 . A A . 10 TYR CE2 1 1
7 3383 1 1 11 TYR CG C -9.196 3.696 2.480 1.00 . A A . 10 TYR CG 1 1
7 3384 1 1 11 TYR CZ C -10.657 2.226 4.371 1.00 . A A . 10 TYR CZ 1 1
7 3385 1 1 11 TYR H H -6.623 6.747 0.843 1.00 . A A . 10 TYR H 1 1
7 3386 1 1 11 TYR HA H -6.970 4.875 2.996 1.00 . A A . 10 TYR HA 1 1
7 3387 1 1 11 TYR HB2 H -9.063 5.248 1.034 1.00 . A A . 10 TYR HB2 1 1
7 3388 1 1 11 TYR HB3 H -8.222 3.791 0.607 1.00 . A A . 10 TYR HB3 1 1
7 3389 1 1 11 TYR HD1 H -7.522 2.484 3.103 1.00 . A A . 10 TYR HD1 1 1
7 3390 1 1 11 TYR HD2 H -11.049 4.728 2.084 1.00 . A A . 10 TYR HD2 1 1
7 3391 1 1 11 TYR HE1 H -8.769 1.250 4.808 1.00 . A A . 10 TYR HE1 1 1
7 3392 1 1 11 TYR HE2 H -12.342 3.439 3.750 1.00 . A A . 10 TYR HE2 1 1
7 3393 1 1 11 TYR HH H -10.833 0.863 5.748 1.00 . A A . 10 TYR HH 1 1
7 3394 1 1 11 TYR N N -7.076 6.481 1.696 1.00 . A A . 10 TYR N 1 1
7 3395 1 1 11 TYR O O -5.614 4.743 0.057 1.00 . A A . 10 TYR O 1 1
7 3396 1 1 11 TYR OH O -11.371 1.501 5.270 1.00 . A A . 10 TYR OH 1 1
7 3397 1 1 12 GLU C C -5.571 0.907 1.644 1.00 . A A . 11 GLU C 1 1
7 3398 1 1 12 GLU CA C -4.913 2.177 1.072 1.00 . A A . 11 GLU CA 1 1
7 3399 1 1 12 GLU CB C -3.398 2.266 1.260 1.00 . A A . 11 GLU CB 1 1
7 3400 1 1 12 GLU CD C -1.355 0.978 0.552 1.00 . A A . 11 GLU CD 1 1
7 3401 1 1 12 GLU CG C -2.680 1.563 0.107 1.00 . A A . 11 GLU CG 1 1
7 3402 1 1 12 GLU H H -5.810 3.084 2.719 1.00 . A A . 11 GLU H 1 1
7 3403 1 1 12 GLU HA H -5.147 2.271 0.012 1.00 . A A . 11 GLU HA 1 1
7 3404 1 1 12 GLU HB2 H -3.086 3.312 1.262 1.00 . A A . 11 GLU HB2 1 1
7 3405 1 1 12 GLU HB3 H -3.127 1.840 2.223 1.00 . A A . 11 GLU HB3 1 1
7 3406 1 1 12 GLU HG2 H -3.299 0.752 -0.263 1.00 . A A . 11 GLU HG2 1 1
7 3407 1 1 12 GLU HG3 H -2.519 2.271 -0.706 1.00 . A A . 11 GLU HG3 1 1
7 3408 1 1 12 GLU N N -5.516 3.277 1.773 1.00 . A A . 11 GLU N 1 1
7 3409 1 1 12 GLU O O -5.139 0.370 2.662 1.00 . A A . 11 GLU O 1 1
7 3410 1 1 12 GLU OE1 O -0.575 1.720 1.179 1.00 . A A . 11 GLU OE1 1 1
7 3411 1 1 12 GLU OE2 O -1.140 -0.222 0.304 1.00 . A A . 11 GLU OE2 1 1
7 3412 1 1 13 VAL C C -7.049 -1.903 1.668 1.00 . A A . 12 VAL C 1 1
7 3413 1 1 13 VAL CA C -7.650 -0.513 1.452 1.00 . A A . 12 VAL CA 1 1
7 3414 1 1 13 VAL CB C -8.808 -0.557 0.431 1.00 . A A . 12 VAL CB 1 1
7 3415 1 1 13 VAL CG1 C -9.720 -1.784 0.556 1.00 . A A . 12 VAL CG1 1 1
7 3416 1 1 13 VAL CG2 C -9.686 0.674 0.642 1.00 . A A . 12 VAL CG2 1 1
7 3417 1 1 13 VAL H H -6.952 1.010 0.187 1.00 . A A . 12 VAL H 1 1
7 3418 1 1 13 VAL HA H -8.068 -0.190 2.402 1.00 . A A . 12 VAL HA 1 1
7 3419 1 1 13 VAL HB H -8.401 -0.542 -0.582 1.00 . A A . 12 VAL HB 1 1
7 3420 1 1 13 VAL HG11 H -10.564 -1.699 -0.123 1.00 . A A . 12 VAL HG11 1 1
7 3421 1 1 13 VAL HG12 H -9.166 -2.681 0.283 1.00 . A A . 12 VAL HG12 1 1
7 3422 1 1 13 VAL HG13 H -10.090 -1.871 1.579 1.00 . A A . 12 VAL HG13 1 1
7 3423 1 1 13 VAL HG21 H -10.129 0.637 1.635 1.00 . A A . 12 VAL HG21 1 1
7 3424 1 1 13 VAL HG22 H -9.090 1.577 0.549 1.00 . A A . 12 VAL HG22 1 1
7 3425 1 1 13 VAL HG23 H -10.465 0.687 -0.120 1.00 . A A . 12 VAL HG23 1 1
7 3426 1 1 13 VAL N N -6.679 0.495 1.011 1.00 . A A . 12 VAL N 1 1
7 3427 1 1 13 VAL O O -7.618 -2.703 2.407 1.00 . A A . 12 VAL O 1 1
7 3428 1 1 14 HIS C C -4.742 -3.552 2.787 1.00 . A A . 13 HIS C 1 1
7 3429 1 1 14 HIS CA C -5.225 -3.465 1.331 1.00 . A A . 13 HIS CA 1 1
7 3430 1 1 14 HIS CB C -4.093 -3.661 0.313 1.00 . A A . 13 HIS CB 1 1
7 3431 1 1 14 HIS CD2 C -5.847 -4.022 -1.565 1.00 . A A . 13 HIS CD2 1 1
7 3432 1 1 14 HIS CE1 C -4.566 -4.916 -3.102 1.00 . A A . 13 HIS CE1 1 1
7 3433 1 1 14 HIS CG C -4.566 -4.040 -1.077 1.00 . A A . 13 HIS CG 1 1
7 3434 1 1 14 HIS H H -5.447 -1.533 0.470 1.00 . A A . 13 HIS H 1 1
7 3435 1 1 14 HIS HA H -5.968 -4.248 1.189 1.00 . A A . 13 HIS HA 1 1
7 3436 1 1 14 HIS HB2 H -3.492 -2.754 0.264 1.00 . A A . 13 HIS HB2 1 1
7 3437 1 1 14 HIS HB3 H -3.441 -4.459 0.666 1.00 . A A . 13 HIS HB3 1 1
7 3438 1 1 14 HIS HD1 H -2.791 -4.764 -2.003 1.00 . A A . 13 HIS HD1 1 1
7 3439 1 1 14 HIS HD2 H -6.730 -3.691 -1.037 1.00 . A A . 13 HIS HD2 1 1
7 3440 1 1 14 HIS HE1 H -4.221 -5.386 -4.012 1.00 . A A . 13 HIS HE1 1 1
7 3441 1 1 14 HIS N N -5.894 -2.204 1.077 1.00 . A A . 13 HIS N 1 1
7 3442 1 1 14 HIS ND1 N -3.783 -4.581 -2.069 1.00 . A A . 13 HIS ND1 1 1
7 3443 1 1 14 HIS NE2 N -5.840 -4.596 -2.839 1.00 . A A . 13 HIS NE2 1 1
7 3444 1 1 14 HIS O O -4.521 -4.655 3.270 1.00 . A A . 13 HIS O 1 1
7 3445 1 1 15 HIS C C -5.538 -2.246 5.843 1.00 . A A . 14 HIS C 1 1
7 3446 1 1 15 HIS CA C -4.320 -2.395 4.931 1.00 . A A . 14 HIS CA 1 1
7 3447 1 1 15 HIS CB C -3.303 -1.291 5.179 1.00 . A A . 14 HIS CB 1 1
7 3448 1 1 15 HIS CD2 C -1.458 -0.578 3.569 1.00 . A A . 14 HIS CD2 1 1
7 3449 1 1 15 HIS CE1 C -0.335 -2.454 3.396 1.00 . A A . 14 HIS CE1 1 1
7 3450 1 1 15 HIS CG C -2.050 -1.499 4.379 1.00 . A A . 14 HIS CG 1 1
7 3451 1 1 15 HIS H H -4.846 -1.543 3.066 1.00 . A A . 14 HIS H 1 1
7 3452 1 1 15 HIS HA H -3.850 -3.338 5.196 1.00 . A A . 14 HIS HA 1 1
7 3453 1 1 15 HIS HB2 H -3.751 -0.335 4.917 1.00 . A A . 14 HIS HB2 1 1
7 3454 1 1 15 HIS HB3 H -3.034 -1.276 6.230 1.00 . A A . 14 HIS HB3 1 1
7 3455 1 1 15 HIS HD1 H -1.530 -3.538 4.739 1.00 . A A . 14 HIS HD1 1 1
7 3456 1 1 15 HIS HD2 H -1.787 0.440 3.430 1.00 . A A . 14 HIS HD2 1 1
7 3457 1 1 15 HIS HE1 H 0.411 -3.180 3.112 1.00 . A A . 14 HIS HE1 1 1
7 3458 1 1 15 HIS N N -4.649 -2.428 3.511 1.00 . A A . 14 HIS N 1 1
7 3459 1 1 15 HIS ND1 N -1.337 -2.670 4.258 1.00 . A A . 14 HIS ND1 1 1
7 3460 1 1 15 HIS NE2 N -0.371 -1.194 2.950 1.00 . A A . 14 HIS NE2 1 1
7 3461 1 1 15 HIS O O -5.388 -2.468 7.042 1.00 . A A . 14 HIS O 1 1
7 3462 1 1 16 GLN C C -8.010 -3.830 6.228 1.00 . A A . 15 GLN C 1 1
7 3463 1 1 16 GLN CA C -7.984 -2.323 5.979 1.00 . A A . 15 GLN CA 1 1
7 3464 1 1 16 GLN CB C -9.167 -1.950 5.083 1.00 . A A . 15 GLN CB 1 1
7 3465 1 1 16 GLN CD C -10.806 -1.249 6.902 1.00 . A A . 15 GLN CD 1 1
7 3466 1 1 16 GLN CG C -10.521 -2.191 5.748 1.00 . A A . 15 GLN CG 1 1
7 3467 1 1 16 GLN H H -6.820 -1.766 4.324 1.00 . A A . 15 GLN H 1 1
7 3468 1 1 16 GLN HA H -8.045 -1.779 6.913 1.00 . A A . 15 GLN HA 1 1
7 3469 1 1 16 GLN HB2 H -9.086 -0.917 4.758 1.00 . A A . 15 GLN HB2 1 1
7 3470 1 1 16 GLN HB3 H -9.149 -2.580 4.207 1.00 . A A . 15 GLN HB3 1 1
7 3471 1 1 16 GLN HE21 H -12.324 -2.420 7.562 1.00 . A A . 15 GLN HE21 1 1
7 3472 1 1 16 GLN HE22 H -12.032 -0.969 8.490 1.00 . A A . 15 GLN HE22 1 1
7 3473 1 1 16 GLN HG2 H -11.282 -2.058 4.991 1.00 . A A . 15 GLN HG2 1 1
7 3474 1 1 16 GLN HG3 H -10.580 -3.214 6.109 1.00 . A A . 15 GLN HG3 1 1
7 3475 1 1 16 GLN N N -6.739 -1.977 5.305 1.00 . A A . 15 GLN N 1 1
7 3476 1 1 16 GLN NE2 N -11.798 -1.571 7.715 1.00 . A A . 15 GLN NE2 1 1
7 3477 1 1 16 GLN O O -8.397 -4.281 7.301 1.00 . A A . 15 GLN O 1 1
7 3478 1 1 16 GLN OE1 O -10.141 -0.239 7.073 1.00 . A A . 15 GLN OE1 1 1
7 3479 1 1 17 LYS C C -6.134 -6.467 5.948 1.00 . A A . 16 LYS C 1 1
7 3480 1 1 17 LYS CA C -7.408 -6.021 5.212 1.00 . A A . 16 LYS CA 1 1
7 3481 1 1 17 LYS CB C -7.428 -6.427 3.734 1.00 . A A . 16 LYS CB 1 1
7 3482 1 1 17 LYS CD C -7.761 -8.139 1.995 1.00 . A A . 16 LYS CD 1 1
7 3483 1 1 17 LYS CE C -7.785 -9.613 1.628 1.00 . A A . 16 LYS CE 1 1
7 3484 1 1 17 LYS CG C -7.464 -7.932 3.478 1.00 . A A . 16 LYS CG 1 1
7 3485 1 1 17 LYS H H -7.320 -4.104 4.361 1.00 . A A . 16 LYS H 1 1
7 3486 1 1 17 LYS HA H -8.266 -6.469 5.711 1.00 . A A . 16 LYS HA 1 1
7 3487 1 1 17 LYS HB2 H -8.313 -5.983 3.276 1.00 . A A . 16 LYS HB2 1 1
7 3488 1 1 17 LYS HB3 H -6.562 -6.011 3.229 1.00 . A A . 16 LYS HB3 1 1
7 3489 1 1 17 LYS HD2 H -8.729 -7.696 1.757 1.00 . A A . 16 LYS HD2 1 1
7 3490 1 1 17 LYS HD3 H -6.993 -7.643 1.405 1.00 . A A . 16 LYS HD3 1 1
7 3491 1 1 17 LYS HE2 H -6.809 -10.058 1.826 1.00 . A A . 16 LYS HE2 1 1
7 3492 1 1 17 LYS HE3 H -8.537 -10.122 2.231 1.00 . A A . 16 LYS HE3 1 1
7 3493 1 1 17 LYS HG2 H -6.503 -8.380 3.727 1.00 . A A . 16 LYS HG2 1 1
7 3494 1 1 17 LYS HG3 H -8.250 -8.387 4.075 1.00 . A A . 16 LYS HG3 1 1
7 3495 1 1 17 LYS HZ1 H -7.395 -9.317 -0.356 1.00 . A A . 16 LYS HZ1 1 1
7 3496 1 1 17 LYS HZ2 H -8.175 -10.731 -0.035 1.00 . A A . 16 LYS HZ2 1 1
7 3497 1 1 17 LYS HZ3 H -9.001 -9.307 0.015 1.00 . A A . 16 LYS HZ3 1 1
7 3498 1 1 17 LYS N N -7.566 -4.581 5.217 1.00 . A A . 16 LYS N 1 1
7 3499 1 1 17 LYS NZ N -8.114 -9.752 0.204 1.00 . A A . 16 LYS NZ 1 1
7 3500 1 1 17 LYS O O -5.945 -7.656 6.157 1.00 . A A . 16 LYS O 1 1
7 3501 1 1 18 NH2 HN1 H -4.424 -5.845 6.863 1.00 . A A . 17 NH2 HN1 1 1
7 3502 1 1 18 NH2 HN2 H -5.438 -4.571 6.220 1.00 . A A . 17 NH2 HN2 1 1
7 3503 1 1 18 NH2 N N -5.257 -5.552 6.372 1.00 . A A . 17 NH2 N 1 1
7 3504 2 1 1 ACE C C 9.359 9.087 -4.107 1.00 . B B . 0 ACE C 1 1
7 3505 2 1 1 ACE CH3 C 8.213 9.235 -3.111 1.00 . B B . 0 ACE CH3 1 1
7 3506 2 1 1 ACE H1 H 7.405 9.815 -3.560 1.00 . B B . 0 ACE H1 1 1
7 3507 2 1 1 ACE H2 H 7.828 8.254 -2.846 1.00 . B B . 0 ACE H2 1 1
7 3508 2 1 1 ACE H3 H 8.560 9.749 -2.214 1.00 . B B . 0 ACE H3 1 1
7 3509 2 1 1 ACE O O 9.169 9.383 -5.280 1.00 . B B . 0 ACE O 1 1
7 3510 2 1 2 ASP C C 12.033 7.364 -5.212 1.00 . B B . 1 ASP C 1 1
7 3511 2 1 2 ASP CA C 11.775 8.655 -4.435 1.00 . B B . 1 ASP CA 1 1
7 3512 2 1 2 ASP CB C 12.962 8.931 -3.516 1.00 . B B . 1 ASP CB 1 1
7 3513 2 1 2 ASP CG C 12.885 10.324 -2.935 1.00 . B B . 1 ASP CG 1 1
7 3514 2 1 2 ASP H H 10.617 8.381 -2.677 1.00 . B B . 1 ASP H 1 1
7 3515 2 1 2 ASP HA H 11.721 9.471 -5.156 1.00 . B B . 1 ASP HA 1 1
7 3516 2 1 2 ASP HB2 H 13.003 8.193 -2.721 1.00 . B B . 1 ASP HB2 1 1
7 3517 2 1 2 ASP HB3 H 13.879 8.866 -4.088 1.00 . B B . 1 ASP HB3 1 1
7 3518 2 1 2 ASP N N 10.539 8.645 -3.649 1.00 . B B . 1 ASP N 1 1
7 3519 2 1 2 ASP O O 11.715 6.267 -4.762 1.00 . B B . 1 ASP O 1 1
7 3520 2 1 2 ASP OD1 O 13.204 11.270 -3.661 1.00 . B B . 1 ASP OD1 1 1
7 3521 2 1 2 ASP OD2 O 12.481 10.435 -1.757 1.00 . B B . 1 ASP OD2 1 1
7 3522 2 1 3 ALA C C 13.906 5.372 -6.712 1.00 . B B . 2 ALA C 1 1
7 3523 2 1 3 ALA CA C 13.003 6.450 -7.305 1.00 . B B . 2 ALA CA 1 1
7 3524 2 1 3 ALA CB C 13.666 7.076 -8.529 1.00 . B B . 2 ALA CB 1 1
7 3525 2 1 3 ALA H H 12.956 8.452 -6.643 1.00 . B B . 2 ALA H 1 1
7 3526 2 1 3 ALA HA H 12.075 5.973 -7.606 1.00 . B B . 2 ALA HA 1 1
7 3527 2 1 3 ALA HB1 H 12.991 7.800 -8.979 1.00 . B B . 2 ALA HB1 1 1
7 3528 2 1 3 ALA HB2 H 14.590 7.574 -8.235 1.00 . B B . 2 ALA HB2 1 1
7 3529 2 1 3 ALA HB3 H 13.886 6.298 -9.258 1.00 . B B . 2 ALA HB3 1 1
7 3530 2 1 3 ALA N N 12.688 7.518 -6.367 1.00 . B B . 2 ALA N 1 1
7 3531 2 1 3 ALA O O 13.739 4.202 -7.034 1.00 . B B . 2 ALA O 1 1
7 3532 2 1 4 GLU C C 14.897 3.842 -4.209 1.00 . B B . 3 GLU C 1 1
7 3533 2 1 4 GLU CA C 15.670 4.853 -5.055 1.00 . B B . 3 GLU CA 1 1
7 3534 2 1 4 GLU CB C 16.603 5.694 -4.183 1.00 . B B . 3 GLU CB 1 1
7 3535 2 1 4 GLU CD C 16.614 7.575 -2.491 1.00 . B B . 3 GLU CD 1 1
7 3536 2 1 4 GLU CG C 15.800 6.470 -3.131 1.00 . B B . 3 GLU CG 1 1
7 3537 2 1 4 GLU H H 14.888 6.737 -5.600 1.00 . B B . 3 GLU H 1 1
7 3538 2 1 4 GLU HA H 16.273 4.293 -5.755 1.00 . B B . 3 GLU HA 1 1
7 3539 2 1 4 GLU HB2 H 17.326 5.048 -3.685 1.00 . B B . 3 GLU HB2 1 1
7 3540 2 1 4 GLU HB3 H 17.141 6.385 -4.829 1.00 . B B . 3 GLU HB3 1 1
7 3541 2 1 4 GLU HG2 H 14.926 6.918 -3.601 1.00 . B B . 3 GLU HG2 1 1
7 3542 2 1 4 GLU HG3 H 15.457 5.780 -2.364 1.00 . B B . 3 GLU HG3 1 1
7 3543 2 1 4 GLU N N 14.814 5.753 -5.814 1.00 . B B . 3 GLU N 1 1
7 3544 2 1 4 GLU O O 15.429 2.777 -3.925 1.00 . B B . 3 GLU O 1 1
7 3545 2 1 4 GLU OE1 O 16.805 8.613 -3.138 1.00 . B B . 3 GLU OE1 1 1
7 3546 2 1 4 GLU OE2 O 17.041 7.368 -1.334 1.00 . B B . 3 GLU OE2 1 1
7 3547 2 1 5 PHE C C 11.858 2.474 -4.045 1.00 . B B . 4 PHE C 1 1
7 3548 2 1 5 PHE CA C 12.805 3.200 -3.110 1.00 . B B . 4 PHE CA 1 1
7 3549 2 1 5 PHE CB C 12.013 3.926 -2.031 1.00 . B B . 4 PHE CB 1 1
7 3550 2 1 5 PHE CD1 C 13.956 4.145 -0.432 1.00 . B B . 4 PHE CD1 1 1
7 3551 2 1 5 PHE CD2 C 12.662 6.124 -0.999 1.00 . B B . 4 PHE CD2 1 1
7 3552 2 1 5 PHE CE1 C 14.791 4.928 0.385 1.00 . B B . 4 PHE CE1 1 1
7 3553 2 1 5 PHE CE2 C 13.498 6.908 -0.187 1.00 . B B . 4 PHE CE2 1 1
7 3554 2 1 5 PHE CG C 12.885 4.746 -1.113 1.00 . B B . 4 PHE CG 1 1
7 3555 2 1 5 PHE CZ C 14.558 6.308 0.513 1.00 . B B . 4 PHE CZ 1 1
7 3556 2 1 5 PHE H H 13.273 5.047 -4.053 1.00 . B B . 4 PHE H 1 1
7 3557 2 1 5 PHE HA H 13.424 2.445 -2.627 1.00 . B B . 4 PHE HA 1 1
7 3558 2 1 5 PHE HB2 H 11.275 4.571 -2.509 1.00 . B B . 4 PHE HB2 1 1
7 3559 2 1 5 PHE HB3 H 11.480 3.186 -1.436 1.00 . B B . 4 PHE HB3 1 1
7 3560 2 1 5 PHE HD1 H 14.147 3.089 -0.563 1.00 . B B . 4 PHE HD1 1 1
7 3561 2 1 5 PHE HD2 H 11.860 6.572 -1.563 1.00 . B B . 4 PHE HD2 1 1
7 3562 2 1 5 PHE HE1 H 15.616 4.469 0.908 1.00 . B B . 4 PHE HE1 1 1
7 3563 2 1 5 PHE HE2 H 13.337 7.970 -0.113 1.00 . B B . 4 PHE HE2 1 1
7 3564 2 1 5 PHE HZ H 15.204 6.911 1.132 1.00 . B B . 4 PHE HZ 1 1
7 3565 2 1 5 PHE N N 13.656 4.143 -3.818 1.00 . B B . 4 PHE N 1 1
7 3566 2 1 5 PHE O O 11.354 1.430 -3.650 1.00 . B B . 4 PHE O 1 1
7 3567 2 1 6 ARG C C 11.467 1.143 -6.927 1.00 . B B . 5 ARG C 1 1
7 3568 2 1 6 ARG CA C 10.804 2.368 -6.279 1.00 . B B . 5 ARG CA 1 1
7 3569 2 1 6 ARG CB C 10.352 3.440 -7.279 1.00 . B B . 5 ARG CB 1 1
7 3570 2 1 6 ARG CD C 7.830 3.158 -6.796 1.00 . B B . 5 ARG CD 1 1
7 3571 2 1 6 ARG CG C 8.955 3.142 -7.848 1.00 . B B . 5 ARG CG 1 1
7 3572 2 1 6 ARG CZ C 7.020 5.505 -6.490 1.00 . B B . 5 ARG CZ 1 1
7 3573 2 1 6 ARG H H 12.087 3.849 -5.533 1.00 . B B . 5 ARG H 1 1
7 3574 2 1 6 ARG HA H 9.929 2.017 -5.754 1.00 . B B . 5 ARG HA 1 1
7 3575 2 1 6 ARG HB2 H 10.328 4.410 -6.783 1.00 . B B . 5 ARG HB2 1 1
7 3576 2 1 6 ARG HB3 H 11.073 3.506 -8.094 1.00 . B B . 5 ARG HB3 1 1
7 3577 2 1 6 ARG HD2 H 6.877 2.932 -7.260 1.00 . B B . 5 ARG HD2 1 1
7 3578 2 1 6 ARG HD3 H 7.991 2.385 -6.049 1.00 . B B . 5 ARG HD3 1 1
7 3579 2 1 6 ARG HE H 8.370 4.553 -5.319 1.00 . B B . 5 ARG HE 1 1
7 3580 2 1 6 ARG HG2 H 8.730 3.883 -8.616 1.00 . B B . 5 ARG HG2 1 1
7 3581 2 1 6 ARG HG3 H 8.981 2.163 -8.317 1.00 . B B . 5 ARG HG3 1 1
7 3582 2 1 6 ARG HH11 H 6.092 4.596 -8.060 1.00 . B B . 5 ARG HH11 1 1
7 3583 2 1 6 ARG HH12 H 5.655 6.270 -7.794 1.00 . B B . 5 ARG HH12 1 1
7 3584 2 1 6 ARG HH21 H 7.789 6.708 -5.045 1.00 . B B . 5 ARG HH21 1 1
7 3585 2 1 6 ARG HH22 H 6.599 7.455 -6.084 1.00 . B B . 5 ARG HH22 1 1
7 3586 2 1 6 ARG N N 11.647 2.980 -5.270 1.00 . B B . 5 ARG N 1 1
7 3587 2 1 6 ARG NE N 7.752 4.447 -6.112 1.00 . B B . 5 ARG NE 1 1
7 3588 2 1 6 ARG NH1 N 6.180 5.450 -7.528 1.00 . B B . 5 ARG NH1 1 1
7 3589 2 1 6 ARG NH2 N 7.145 6.648 -5.820 1.00 . B B . 5 ARG NH2 1 1
7 3590 2 1 6 ARG O O 11.275 0.876 -8.107 1.00 . B B . 5 ARG O 1 1
7 3591 2 1 7 ARG C C 11.962 -1.996 -6.304 1.00 . B B . 6 ARG C 1 1
7 3592 2 1 7 ARG CA C 12.920 -0.830 -6.517 1.00 . B B . 6 ARG CA 1 1
7 3593 2 1 7 ARG CB C 14.171 -1.033 -5.648 1.00 . B B . 6 ARG CB 1 1
7 3594 2 1 7 ARG CD C 15.649 0.492 -7.107 1.00 . B B . 6 ARG CD 1 1
7 3595 2 1 7 ARG CG C 15.157 0.138 -5.700 1.00 . B B . 6 ARG CG 1 1
7 3596 2 1 7 ARG CZ C 14.391 1.576 -8.989 1.00 . B B . 6 ARG CZ 1 1
7 3597 2 1 7 ARG H H 12.419 0.717 -5.202 1.00 . B B . 6 ARG H 1 1
7 3598 2 1 7 ARG HA H 13.214 -0.772 -7.558 1.00 . B B . 6 ARG HA 1 1
7 3599 2 1 7 ARG HB2 H 13.859 -1.154 -4.609 1.00 . B B . 6 ARG HB2 1 1
7 3600 2 1 7 ARG HB3 H 14.684 -1.941 -5.964 1.00 . B B . 6 ARG HB3 1 1
7 3601 2 1 7 ARG HD2 H 16.676 0.845 -7.046 1.00 . B B . 6 ARG HD2 1 1
7 3602 2 1 7 ARG HD3 H 15.639 -0.410 -7.714 1.00 . B B . 6 ARG HD3 1 1
7 3603 2 1 7 ARG HE H 14.607 2.345 -7.128 1.00 . B B . 6 ARG HE 1 1
7 3604 2 1 7 ARG HG2 H 14.659 1.001 -5.274 1.00 . B B . 6 ARG HG2 1 1
7 3605 2 1 7 ARG HG3 H 16.015 -0.112 -5.078 1.00 . B B . 6 ARG HG3 1 1
7 3606 2 1 7 ARG HH11 H 15.189 -0.217 -9.535 1.00 . B B . 6 ARG HH11 1 1
7 3607 2 1 7 ARG HH12 H 14.290 0.621 -10.779 1.00 . B B . 6 ARG HH12 1 1
7 3608 2 1 7 ARG HH21 H 13.453 3.376 -8.807 1.00 . B B . 6 ARG HH21 1 1
7 3609 2 1 7 ARG HH22 H 13.306 2.609 -10.371 1.00 . B B . 6 ARG HH22 1 1
7 3610 2 1 7 ARG N N 12.275 0.412 -6.153 1.00 . B B . 6 ARG N 1 1
7 3611 2 1 7 ARG NE N 14.838 1.557 -7.723 1.00 . B B . 6 ARG NE 1 1
7 3612 2 1 7 ARG NH1 N 14.643 0.576 -9.835 1.00 . B B . 6 ARG NH1 1 1
7 3613 2 1 7 ARG NH2 N 13.670 2.609 -9.428 1.00 . B B . 6 ARG NH2 1 1
7 3614 2 1 7 ARG O O 11.068 -1.913 -5.469 1.00 . B B . 6 ARG O 1 1
7 3615 2 1 8 ASP C C 11.971 -5.011 -5.392 1.00 . B B . 7 ASP C 1 1
7 3616 2 1 8 ASP CA C 11.583 -4.408 -6.752 1.00 . B B . 7 ASP CA 1 1
7 3617 2 1 8 ASP CB C 12.034 -5.362 -7.863 1.00 . B B . 7 ASP CB 1 1
7 3618 2 1 8 ASP CG C 13.447 -5.891 -7.637 1.00 . B B . 7 ASP CG 1 1
7 3619 2 1 8 ASP H H 12.972 -3.097 -7.659 1.00 . B B . 7 ASP H 1 1
7 3620 2 1 8 ASP HA H 10.501 -4.293 -6.803 1.00 . B B . 7 ASP HA 1 1
7 3621 2 1 8 ASP HB2 H 11.344 -6.202 -7.890 1.00 . B B . 7 ASP HB2 1 1
7 3622 2 1 8 ASP HB3 H 12.001 -4.843 -8.818 1.00 . B B . 7 ASP HB3 1 1
7 3623 2 1 8 ASP N N 12.210 -3.110 -6.996 1.00 . B B . 7 ASP N 1 1
7 3624 2 1 8 ASP O O 11.405 -6.015 -4.978 1.00 . B B . 7 ASP O 1 1
7 3625 2 1 8 ASP OD1 O 14.390 -5.082 -7.702 1.00 . B B . 7 ASP OD1 1 1
7 3626 2 1 8 ASP OD2 O 13.565 -7.105 -7.369 1.00 . B B . 7 ASP OD2 1 1
7 3627 2 1 9 SER C C 12.962 -4.840 -2.289 1.00 . B B . 8 SER C 1 1
7 3628 2 1 9 SER CA C 13.721 -4.983 -3.618 1.00 . B B . 8 SER CA 1 1
7 3629 2 1 9 SER CB C 15.093 -4.309 -3.571 1.00 . B B . 8 SER CB 1 1
7 3630 2 1 9 SER H H 13.442 -3.682 -5.235 1.00 . B B . 8 SER H 1 1
7 3631 2 1 9 SER HA H 13.876 -6.039 -3.818 1.00 . B B . 8 SER HA 1 1
7 3632 2 1 9 SER HB2 H 14.970 -3.263 -3.289 1.00 . B B . 8 SER HB2 1 1
7 3633 2 1 9 SER HB3 H 15.721 -4.813 -2.835 1.00 . B B . 8 SER HB3 1 1
7 3634 2 1 9 SER HG H 16.534 -3.862 -4.789 1.00 . B B . 8 SER HG 1 1
7 3635 2 1 9 SER N N 12.989 -4.437 -4.748 1.00 . B B . 8 SER N 1 1
7 3636 2 1 9 SER O O 13.436 -4.188 -1.360 1.00 . B B . 8 SER O 1 1
7 3637 2 1 9 SER OG O 15.714 -4.366 -4.837 1.00 . B B . 8 SER OG 1 1
7 3638 2 1 10 GLY C C 9.624 -6.169 -1.460 1.00 . B B . 9 GLY C 1 1
7 3639 2 1 10 GLY CA C 10.895 -5.424 -1.060 1.00 . B B . 9 GLY CA 1 1
7 3640 2 1 10 GLY H H 11.387 -5.889 -3.029 1.00 . B B . 9 GLY H 1 1
7 3641 2 1 10 GLY HA2 H 11.378 -5.919 -0.222 1.00 . B B . 9 GLY HA2 1 1
7 3642 2 1 10 GLY HA3 H 10.709 -4.397 -0.764 1.00 . B B . 9 GLY HA3 1 1
7 3643 2 1 10 GLY N N 11.768 -5.435 -2.210 1.00 . B B . 9 GLY N 1 1
7 3644 2 1 10 GLY O O 9.689 -7.354 -1.768 1.00 . B B . 9 GLY O 1 1
7 3645 2 1 11 TYR C C 6.688 -3.922 -1.150 1.00 . B B . 10 TYR C 1 1
7 3646 2 1 11 TYR CA C 8.190 -4.145 -1.210 1.00 . B B . 10 TYR CA 1 1
7 3647 2 1 11 TYR CB C 8.789 -3.234 -2.301 1.00 . B B . 10 TYR CB 1 1
7 3648 2 1 11 TYR CD1 C 9.430 -1.328 -0.752 1.00 . B B . 10 TYR CD1 1 1
7 3649 2 1 11 TYR CD2 C 11.039 -2.102 -2.390 1.00 . B B . 10 TYR CD2 1 1
7 3650 2 1 11 TYR CE1 C 10.329 -0.346 -0.314 1.00 . B B . 10 TYR CE1 1 1
7 3651 2 1 11 TYR CE2 C 11.945 -1.116 -1.973 1.00 . B B . 10 TYR CE2 1 1
7 3652 2 1 11 TYR CG C 9.774 -2.203 -1.795 1.00 . B B . 10 TYR CG 1 1
7 3653 2 1 11 TYR CZ C 11.591 -0.224 -0.938 1.00 . B B . 10 TYR CZ 1 1
7 3654 2 1 11 TYR H H 7.695 -6.003 -1.965 1.00 . B B . 10 TYR H 1 1
7 3655 2 1 11 TYR HA H 8.614 -3.904 -0.239 1.00 . B B . 10 TYR HA 1 1
7 3656 2 1 11 TYR HB2 H 9.272 -3.840 -3.071 1.00 . B B . 10 TYR HB2 1 1
7 3657 2 1 11 TYR HB3 H 7.981 -2.712 -2.811 1.00 . B B . 10 TYR HB3 1 1
7 3658 2 1 11 TYR HD1 H 8.464 -1.391 -0.292 1.00 . B B . 10 TYR HD1 1 1
7 3659 2 1 11 TYR HD2 H 11.316 -2.791 -3.167 1.00 . B B . 10 TYR HD2 1 1
7 3660 2 1 11 TYR HE1 H 10.044 0.304 0.497 1.00 . B B . 10 TYR HE1 1 1
7 3661 2 1 11 TYR HE2 H 12.918 -1.058 -2.431 1.00 . B B . 10 TYR HE2 1 1
7 3662 2 1 11 TYR HH H 12.135 1.260 0.193 1.00 . B B . 10 TYR HH 1 1
7 3663 2 1 11 TYR N N 8.456 -5.533 -1.508 1.00 . B B . 10 TYR N 1 1
7 3664 2 1 11 TYR O O 5.915 -4.587 -1.837 1.00 . B B . 10 TYR O 1 1
7 3665 2 1 11 TYR OH O 12.482 0.719 -0.523 1.00 . B B . 10 TYR OH 1 1
7 3666 2 1 12 GLU C C 5.974 -0.526 -0.654 1.00 . B B . 11 GLU C 1 1
7 3667 2 1 12 GLU CA C 5.381 -1.904 -0.938 1.00 . B B . 11 GLU CA 1 1
7 3668 2 1 12 GLU CB C 4.038 -2.092 -0.261 1.00 . B B . 11 GLU CB 1 1
7 3669 2 1 12 GLU CD C 1.942 -0.759 -0.023 1.00 . B B . 11 GLU CD 1 1
7 3670 2 1 12 GLU CG C 2.951 -1.317 -1.001 1.00 . B B . 11 GLU CG 1 1
7 3671 2 1 12 GLU H H 6.987 -2.486 0.224 1.00 . B B . 11 GLU H 1 1
7 3672 2 1 12 GLU HA H 5.268 -2.048 -2.010 1.00 . B B . 11 GLU HA 1 1
7 3673 2 1 12 GLU HB2 H 3.781 -3.146 -0.246 1.00 . B B . 11 GLU HB2 1 1
7 3674 2 1 12 GLU HB3 H 4.124 -1.742 0.764 1.00 . B B . 11 GLU HB3 1 1
7 3675 2 1 12 GLU HG2 H 3.395 -0.480 -1.544 1.00 . B B . 11 GLU HG2 1 1
7 3676 2 1 12 GLU HG3 H 2.451 -1.972 -1.711 1.00 . B B . 11 GLU HG3 1 1
7 3677 2 1 12 GLU N N 6.321 -2.869 -0.427 1.00 . B B . 11 GLU N 1 1
7 3678 2 1 12 GLU O O 6.172 -0.153 0.501 1.00 . B B . 11 GLU O 1 1
7 3679 2 1 12 GLU OE1 O 1.567 -1.485 0.924 1.00 . B B . 11 GLU OE1 1 1
7 3680 2 1 12 GLU OE2 O 1.594 0.416 -0.163 1.00 . B B . 11 GLU OE2 1 1
7 3681 2 1 13 VAL C C 6.573 2.565 -0.987 1.00 . B B . 12 VAL C 1 1
7 3682 2 1 13 VAL CA C 7.183 1.357 -1.701 1.00 . B B . 12 VAL CA 1 1
7 3683 2 1 13 VAL CB C 7.657 1.658 -3.134 1.00 . B B . 12 VAL CB 1 1
7 3684 2 1 13 VAL CG1 C 8.521 2.921 -3.171 1.00 . B B . 12 VAL CG1 1 1
7 3685 2 1 13 VAL CG2 C 8.476 0.462 -3.640 1.00 . B B . 12 VAL CG2 1 1
7 3686 2 1 13 VAL H H 6.084 -0.173 -2.638 1.00 . B B . 12 VAL H 1 1
7 3687 2 1 13 VAL HA H 8.070 1.091 -1.136 1.00 . B B . 12 VAL HA 1 1
7 3688 2 1 13 VAL HB H 6.801 1.805 -3.790 1.00 . B B . 12 VAL HB 1 1
7 3689 2 1 13 VAL HG11 H 9.286 2.879 -2.396 1.00 . B B . 12 VAL HG11 1 1
7 3690 2 1 13 VAL HG12 H 9.003 3.033 -4.134 1.00 . B B . 12 VAL HG12 1 1
7 3691 2 1 13 VAL HG13 H 7.885 3.791 -3.014 1.00 . B B . 12 VAL HG13 1 1
7 3692 2 1 13 VAL HG21 H 8.841 0.651 -4.642 1.00 . B B . 12 VAL HG21 1 1
7 3693 2 1 13 VAL HG22 H 9.307 0.283 -2.968 1.00 . B B . 12 VAL HG22 1 1
7 3694 2 1 13 VAL HG23 H 7.862 -0.434 -3.679 1.00 . B B . 12 VAL HG23 1 1
7 3695 2 1 13 VAL N N 6.301 0.198 -1.724 1.00 . B B . 12 VAL N 1 1
7 3696 2 1 13 VAL O O 7.329 3.434 -0.555 1.00 . B B . 12 VAL O 1 1
7 3697 2 1 14 HIS C C 5.147 3.554 1.519 1.00 . B B . 13 HIS C 1 1
7 3698 2 1 14 HIS CA C 4.659 3.640 0.065 1.00 . B B . 13 HIS CA 1 1
7 3699 2 1 14 HIS CB C 3.123 3.569 0.063 1.00 . B B . 13 HIS CB 1 1
7 3700 2 1 14 HIS CD2 C 2.749 4.389 -2.348 1.00 . B B . 13 HIS CD2 1 1
7 3701 2 1 14 HIS CE1 C 1.165 3.000 -2.963 1.00 . B B . 13 HIS CE1 1 1
7 3702 2 1 14 HIS CG C 2.458 3.580 -1.284 1.00 . B B . 13 HIS CG 1 1
7 3703 2 1 14 HIS H H 4.656 1.874 -1.135 1.00 . B B . 13 HIS H 1 1
7 3704 2 1 14 HIS HA H 4.982 4.589 -0.361 1.00 . B B . 13 HIS HA 1 1
7 3705 2 1 14 HIS HB2 H 2.827 2.660 0.580 1.00 . B B . 13 HIS HB2 1 1
7 3706 2 1 14 HIS HB3 H 2.736 4.415 0.632 1.00 . B B . 13 HIS HB3 1 1
7 3707 2 1 14 HIS HD1 H 1.033 2.006 -1.122 1.00 . B B . 13 HIS HD1 1 1
7 3708 2 1 14 HIS HD2 H 3.506 5.156 -2.378 1.00 . B B . 13 HIS HD2 1 1
7 3709 2 1 14 HIS HE1 H 0.441 2.462 -3.555 1.00 . B B . 13 HIS HE1 1 1
7 3710 2 1 14 HIS N N 5.251 2.602 -0.764 1.00 . B B . 13 HIS N 1 1
7 3711 2 1 14 HIS ND1 N 1.446 2.740 -1.681 1.00 . B B . 13 HIS ND1 1 1
7 3712 2 1 14 HIS NE2 N 1.932 4.003 -3.412 1.00 . B B . 13 HIS NE2 1 1
7 3713 2 1 14 HIS O O 4.954 4.515 2.258 1.00 . B B . 13 HIS O 1 1
7 3714 2 1 15 HIS C C 7.582 1.554 3.380 1.00 . B B . 14 HIS C 1 1
7 3715 2 1 15 HIS CA C 6.214 2.235 3.313 1.00 . B B . 14 HIS CA 1 1
7 3716 2 1 15 HIS CB C 5.173 1.450 4.132 1.00 . B B . 14 HIS CB 1 1
7 3717 2 1 15 HIS CD2 C 3.075 0.758 2.884 1.00 . B B . 14 HIS CD2 1 1
7 3718 2 1 15 HIS CE1 C 1.744 2.419 3.372 1.00 . B B . 14 HIS CE1 1 1
7 3719 2 1 15 HIS CG C 3.751 1.619 3.695 1.00 . B B . 14 HIS CG 1 1
7 3720 2 1 15 HIS H H 5.895 1.673 1.292 1.00 . B B . 14 HIS H 1 1
7 3721 2 1 15 HIS HA H 6.321 3.215 3.777 1.00 . B B . 14 HIS HA 1 1
7 3722 2 1 15 HIS HB2 H 5.384 0.383 4.100 1.00 . B B . 14 HIS HB2 1 1
7 3723 2 1 15 HIS HB3 H 5.250 1.758 5.169 1.00 . B B . 14 HIS HB3 1 1
7 3724 2 1 15 HIS HD1 H 3.116 3.449 4.585 1.00 . B B . 14 HIS HD1 1 1
7 3725 2 1 15 HIS HD2 H 3.474 -0.152 2.467 1.00 . B B . 14 HIS HD2 1 1
7 3726 2 1 15 HIS HE1 H 0.869 3.043 3.439 1.00 . B B . 14 HIS HE1 1 1
7 3727 2 1 15 HIS N N 5.769 2.437 1.941 1.00 . B B . 14 HIS N 1 1
7 3728 2 1 15 HIS ND1 N 2.909 2.659 3.990 1.00 . B B . 14 HIS ND1 1 1
7 3729 2 1 15 HIS NE2 N 1.797 1.273 2.687 1.00 . B B . 14 HIS NE2 1 1
7 3730 2 1 15 HIS O O 8.543 2.194 3.794 1.00 . B B . 14 HIS O 1 1
7 3731 2 1 16 GLN C C 8.889 -1.875 2.710 1.00 . B B . 15 GLN C 1 1
7 3732 2 1 16 GLN CA C 8.696 -0.633 3.576 1.00 . B B . 15 GLN CA 1 1
7 3733 2 1 16 GLN CB C 8.327 -1.082 5.000 1.00 . B B . 15 GLN CB 1 1
7 3734 2 1 16 GLN CD C 8.428 -0.584 7.461 1.00 . B B . 15 GLN CD 1 1
7 3735 2 1 16 GLN CG C 8.521 0.007 6.060 1.00 . B B . 15 GLN CG 1 1
7 3736 2 1 16 GLN H H 6.861 -0.197 2.661 1.00 . B B . 15 GLN H 1 1
7 3737 2 1 16 GLN HA H 9.641 -0.098 3.605 1.00 . B B . 15 GLN HA 1 1
7 3738 2 1 16 GLN HB2 H 7.297 -1.435 5.017 1.00 . B B . 15 GLN HB2 1 1
7 3739 2 1 16 GLN HB3 H 8.959 -1.922 5.269 1.00 . B B . 15 GLN HB3 1 1
7 3740 2 1 16 GLN HE21 H 10.406 -0.336 7.842 1.00 . B B . 15 GLN HE21 1 1
7 3741 2 1 16 GLN HE22 H 9.469 -1.064 9.129 1.00 . B B . 15 GLN HE22 1 1
7 3742 2 1 16 GLN HG2 H 9.493 0.478 5.917 1.00 . B B . 15 GLN HG2 1 1
7 3743 2 1 16 GLN HG3 H 7.746 0.763 5.952 1.00 . B B . 15 GLN HG3 1 1
7 3744 2 1 16 GLN N N 7.667 0.257 3.056 1.00 . B B . 15 GLN N 1 1
7 3745 2 1 16 GLN NE2 N 9.525 -0.666 8.203 1.00 . B B . 15 GLN NE2 1 1
7 3746 2 1 16 GLN O O 8.032 -2.267 1.925 1.00 . B B . 15 GLN O 1 1
7 3747 2 1 16 GLN OE1 O 7.359 -0.995 7.877 1.00 . B B . 15 GLN OE1 1 1
7 3748 2 1 17 LYS C C 9.881 -4.978 2.626 1.00 . B B . 16 LYS C 1 1
7 3749 2 1 17 LYS CA C 10.475 -3.667 2.127 1.00 . B B . 16 LYS CA 1 1
7 3750 2 1 17 LYS CB C 11.998 -3.743 2.174 1.00 . B B . 16 LYS CB 1 1
7 3751 2 1 17 LYS CD C 14.096 -2.582 1.503 1.00 . B B . 16 LYS CD 1 1
7 3752 2 1 17 LYS CE C 14.644 -1.363 0.774 1.00 . B B . 16 LYS CE 1 1
7 3753 2 1 17 LYS CG C 12.582 -2.556 1.411 1.00 . B B . 16 LYS CG 1 1
7 3754 2 1 17 LYS H H 10.674 -2.165 3.602 1.00 . B B . 16 LYS H 1 1
7 3755 2 1 17 LYS HA H 10.169 -3.523 1.095 1.00 . B B . 16 LYS HA 1 1
7 3756 2 1 17 LYS HB2 H 12.338 -3.732 3.211 1.00 . B B . 16 LYS HB2 1 1
7 3757 2 1 17 LYS HB3 H 12.332 -4.669 1.703 1.00 . B B . 16 LYS HB3 1 1
7 3758 2 1 17 LYS HD2 H 14.386 -2.538 2.551 1.00 . B B . 16 LYS HD2 1 1
7 3759 2 1 17 LYS HD3 H 14.482 -3.496 1.049 1.00 . B B . 16 LYS HD3 1 1
7 3760 2 1 17 LYS HE2 H 14.265 -1.346 -0.248 1.00 . B B . 16 LYS HE2 1 1
7 3761 2 1 17 LYS HE3 H 14.315 -0.462 1.293 1.00 . B B . 16 LYS HE3 1 1
7 3762 2 1 17 LYS HG2 H 12.276 -2.621 0.367 1.00 . B B . 16 LYS HG2 1 1
7 3763 2 1 17 LYS HG3 H 12.222 -1.616 1.830 1.00 . B B . 16 LYS HG3 1 1
7 3764 2 1 17 LYS HZ1 H 16.458 -1.557 1.685 1.00 . B B . 16 LYS HZ1 1 1
7 3765 2 1 17 LYS HZ2 H 16.411 -2.162 0.156 1.00 . B B . 16 LYS HZ2 1 1
7 3766 2 1 17 LYS HZ3 H 16.468 -0.533 0.393 1.00 . B B . 16 LYS HZ3 1 1
7 3767 2 1 17 LYS N N 10.038 -2.520 2.902 1.00 . B B . 16 LYS N 1 1
7 3768 2 1 17 LYS NZ N 16.107 -1.405 0.750 1.00 . B B . 16 LYS NZ 1 1
7 3769 2 1 17 LYS O O 9.662 -5.872 1.819 1.00 . B B . 16 LYS O 1 1
7 3770 2 1 18 NH2 HN1 H 9.802 -4.351 4.556 1.00 . B B . 17 NH2 HN1 1 1
7 3771 2 1 18 NH2 HN2 H 9.219 -5.974 4.269 1.00 . B B . 17 NH2 HN2 1 1
7 3772 2 1 18 NH2 N N 9.607 -5.110 3.921 1.00 . B B . 17 NH2 N 1 1
7 3773 3 2 1 ZN ZN ZN 0.517 0.080 1.591 1.00 . C A . 101 ZN ZN 1 1
8 3774 1 1 1 ACE C C -10.225 -3.658 -2.775 1.00 . A A . 0 ACE C 1 1
8 3775 1 1 1 ACE CH3 C -8.881 -3.872 -2.105 1.00 . A A . 0 ACE CH3 1 1
8 3776 1 1 1 ACE H1 H -8.202 -4.347 -2.812 1.00 . A A . 0 ACE H1 1 1
8 3777 1 1 1 ACE H2 H -8.476 -2.907 -1.806 1.00 . A A . 0 ACE H2 1 1
8 3778 1 1 1 ACE H3 H -8.985 -4.513 -1.229 1.00 . A A . 0 ACE H3 1 1
8 3779 1 1 1 ACE O O -10.263 -3.141 -3.883 1.00 . A A . 0 ACE O 1 1
8 3780 1 1 2 ASP C C -13.217 -2.726 -2.999 1.00 . A A . 1 ASP C 1 1
8 3781 1 1 2 ASP CA C -12.645 -4.125 -2.733 1.00 . A A . 1 ASP CA 1 1
8 3782 1 1 2 ASP CB C -13.569 -4.973 -1.850 1.00 . A A . 1 ASP CB 1 1
8 3783 1 1 2 ASP CG C -14.633 -5.731 -2.624 1.00 . A A . 1 ASP CG 1 1
8 3784 1 1 2 ASP H H -11.225 -4.449 -1.200 1.00 . A A . 1 ASP H 1 1
8 3785 1 1 2 ASP HA H -12.537 -4.643 -3.684 1.00 . A A . 1 ASP HA 1 1
8 3786 1 1 2 ASP HB2 H -12.976 -5.735 -1.346 1.00 . A A . 1 ASP HB2 1 1
8 3787 1 1 2 ASP HB3 H -14.046 -4.350 -1.095 1.00 . A A . 1 ASP HB3 1 1
8 3788 1 1 2 ASP N N -11.321 -4.065 -2.128 1.00 . A A . 1 ASP N 1 1
8 3789 1 1 2 ASP O O -12.883 -1.776 -2.293 1.00 . A A . 1 ASP O 1 1
8 3790 1 1 2 ASP OD1 O -14.969 -5.327 -3.761 1.00 . A A . 1 ASP OD1 1 1
8 3791 1 1 2 ASP OD2 O -15.112 -6.729 -2.080 1.00 . A A . 1 ASP OD2 1 1
8 3792 1 1 3 ALA C C -15.247 -0.478 -3.521 1.00 . A A . 2 ALA C 1 1
8 3793 1 1 3 ALA CA C -14.606 -1.378 -4.571 1.00 . A A . 2 ALA CA 1 1
8 3794 1 1 3 ALA CB C -15.643 -1.708 -5.649 1.00 . A A . 2 ALA CB 1 1
8 3795 1 1 3 ALA H H -14.334 -3.471 -4.510 1.00 . A A . 2 ALA H 1 1
8 3796 1 1 3 ALA HA H -13.784 -0.830 -5.024 1.00 . A A . 2 ALA HA 1 1
8 3797 1 1 3 ALA HB1 H -15.183 -2.277 -6.452 1.00 . A A . 2 ALA HB1 1 1
8 3798 1 1 3 ALA HB2 H -16.457 -2.289 -5.217 1.00 . A A . 2 ALA HB2 1 1
8 3799 1 1 3 ALA HB3 H -16.053 -0.787 -6.058 1.00 . A A . 2 ALA HB3 1 1
8 3800 1 1 3 ALA N N -14.078 -2.623 -4.023 1.00 . A A . 2 ALA N 1 1
8 3801 1 1 3 ALA O O -14.975 0.716 -3.502 1.00 . A A . 2 ALA O 1 1
8 3802 1 1 4 GLU C C -15.825 0.361 -0.580 1.00 . A A . 3 GLU C 1 1
8 3803 1 1 4 GLU CA C -16.754 -0.336 -1.569 1.00 . A A . 3 GLU CA 1 1
8 3804 1 1 4 GLU CB C -17.666 -1.314 -0.836 1.00 . A A . 3 GLU CB 1 1
8 3805 1 1 4 GLU CD C -17.745 -3.519 0.349 1.00 . A A . 3 GLU CD 1 1
8 3806 1 1 4 GLU CG C -16.850 -2.396 -0.118 1.00 . A A . 3 GLU CG 1 1
8 3807 1 1 4 GLU H H -16.236 -2.043 -2.712 1.00 . A A . 3 GLU H 1 1
8 3808 1 1 4 GLU HA H -17.376 0.433 -2.014 1.00 . A A . 3 GLU HA 1 1
8 3809 1 1 4 GLU HB2 H -18.262 -0.774 -0.102 1.00 . A A . 3 GLU HB2 1 1
8 3810 1 1 4 GLU HB3 H -18.338 -1.769 -1.564 1.00 . A A . 3 GLU HB3 1 1
8 3811 1 1 4 GLU HG2 H -16.103 -2.818 -0.792 1.00 . A A . 3 GLU HG2 1 1
8 3812 1 1 4 GLU HG3 H -16.343 -1.952 0.736 1.00 . A A . 3 GLU HG3 1 1
8 3813 1 1 4 GLU N N -16.062 -1.051 -2.635 1.00 . A A . 3 GLU N 1 1
8 3814 1 1 4 GLU O O -16.304 1.215 0.149 1.00 . A A . 3 GLU O 1 1
8 3815 1 1 4 GLU OE1 O -18.304 -4.201 -0.517 1.00 . A A . 3 GLU OE1 1 1
8 3816 1 1 4 GLU OE2 O -17.852 -3.704 1.581 1.00 . A A . 3 GLU OE2 1 1
8 3817 1 1 5 PHE C C -12.612 1.603 -0.477 1.00 . A A . 4 PHE C 1 1
8 3818 1 1 5 PHE CA C -13.543 0.675 0.303 1.00 . A A . 4 PHE CA 1 1
8 3819 1 1 5 PHE CB C -12.731 -0.381 1.044 1.00 . A A . 4 PHE CB 1 1
8 3820 1 1 5 PHE CD1 C -14.259 -0.966 2.960 1.00 . A A . 4 PHE CD1 1 1
8 3821 1 1 5 PHE CD2 C -13.656 -2.698 1.357 1.00 . A A . 4 PHE CD2 1 1
8 3822 1 1 5 PHE CE1 C -15.036 -1.893 3.671 1.00 . A A . 4 PHE CE1 1 1
8 3823 1 1 5 PHE CE2 C -14.442 -3.625 2.058 1.00 . A A . 4 PHE CE2 1 1
8 3824 1 1 5 PHE CG C -13.564 -1.373 1.810 1.00 . A A . 4 PHE CG 1 1
8 3825 1 1 5 PHE CZ C -15.134 -3.220 3.215 1.00 . A A . 4 PHE CZ 1 1
8 3826 1 1 5 PHE H H -14.218 -0.737 -1.130 1.00 . A A . 4 PHE H 1 1
8 3827 1 1 5 PHE HA H -14.054 1.281 1.043 1.00 . A A . 4 PHE HA 1 1
8 3828 1 1 5 PHE HB2 H -12.121 -0.914 0.320 1.00 . A A . 4 PHE HB2 1 1
8 3829 1 1 5 PHE HB3 H -12.080 0.119 1.758 1.00 . A A . 4 PHE HB3 1 1
8 3830 1 1 5 PHE HD1 H -14.199 0.064 3.286 1.00 . A A . 4 PHE HD1 1 1
8 3831 1 1 5 PHE HD2 H -13.136 -2.989 0.458 1.00 . A A . 4 PHE HD2 1 1
8 3832 1 1 5 PHE HE1 H -15.565 -1.586 4.559 1.00 . A A . 4 PHE HE1 1 1
8 3833 1 1 5 PHE HE2 H -14.519 -4.638 1.699 1.00 . A A . 4 PHE HE2 1 1
8 3834 1 1 5 PHE HZ H -15.746 -3.927 3.754 1.00 . A A . 4 PHE HZ 1 1
8 3835 1 1 5 PHE N N -14.533 0.019 -0.541 1.00 . A A . 4 PHE N 1 1
8 3836 1 1 5 PHE O O -11.918 2.397 0.148 1.00 . A A . 4 PHE O 1 1
8 3837 1 1 6 ARG C C -12.469 3.902 -2.669 1.00 . A A . 5 ARG C 1 1
8 3838 1 1 6 ARG CA C -11.861 2.485 -2.665 1.00 . A A . 5 ARG CA 1 1
8 3839 1 1 6 ARG CB C -11.750 1.902 -4.083 1.00 . A A . 5 ARG CB 1 1
8 3840 1 1 6 ARG CD C -9.559 0.640 -3.575 1.00 . A A . 5 ARG CD 1 1
8 3841 1 1 6 ARG CG C -10.969 0.582 -4.175 1.00 . A A . 5 ARG CG 1 1
8 3842 1 1 6 ARG CZ C -7.961 1.544 -5.278 1.00 . A A . 5 ARG CZ 1 1
8 3843 1 1 6 ARG H H -13.202 0.885 -2.284 1.00 . A A . 5 ARG H 1 1
8 3844 1 1 6 ARG HA H -10.857 2.587 -2.255 1.00 . A A . 5 ARG HA 1 1
8 3845 1 1 6 ARG HB2 H -12.752 1.745 -4.476 1.00 . A A . 5 ARG HB2 1 1
8 3846 1 1 6 ARG HB3 H -11.249 2.628 -4.721 1.00 . A A . 5 ARG HB3 1 1
8 3847 1 1 6 ARG HD2 H -9.622 0.847 -2.508 1.00 . A A . 5 ARG HD2 1 1
8 3848 1 1 6 ARG HD3 H -9.074 -0.329 -3.693 1.00 . A A . 5 ARG HD3 1 1
8 3849 1 1 6 ARG HE H -8.833 2.612 -3.807 1.00 . A A . 5 ARG HE 1 1
8 3850 1 1 6 ARG HG2 H -11.524 -0.205 -3.675 1.00 . A A . 5 ARG HG2 1 1
8 3851 1 1 6 ARG HG3 H -10.888 0.317 -5.228 1.00 . A A . 5 ARG HG3 1 1
8 3852 1 1 6 ARG HH11 H -8.321 -0.438 -5.562 1.00 . A A . 5 ARG HH11 1 1
8 3853 1 1 6 ARG HH12 H -7.208 0.295 -6.695 1.00 . A A . 5 ARG HH12 1 1
8 3854 1 1 6 ARG HH21 H -7.418 3.506 -5.317 1.00 . A A . 5 ARG HH21 1 1
8 3855 1 1 6 ARG HH22 H -6.718 2.509 -6.568 1.00 . A A . 5 ARG HH22 1 1
8 3856 1 1 6 ARG N N -12.610 1.557 -1.816 1.00 . A A . 5 ARG N 1 1
8 3857 1 1 6 ARG NE N -8.753 1.689 -4.210 1.00 . A A . 5 ARG NE 1 1
8 3858 1 1 6 ARG NH1 N -7.810 0.370 -5.888 1.00 . A A . 5 ARG NH1 1 1
8 3859 1 1 6 ARG NH2 N -7.308 2.602 -5.753 1.00 . A A . 5 ARG NH2 1 1
8 3860 1 1 6 ARG O O -12.183 4.690 -3.567 1.00 . A A . 5 ARG O 1 1
8 3861 1 1 7 ARG C C -12.995 6.609 -1.136 1.00 . A A . 6 ARG C 1 1
8 3862 1 1 7 ARG CA C -13.978 5.493 -1.483 1.00 . A A . 6 ARG CA 1 1
8 3863 1 1 7 ARG CB C -15.022 5.366 -0.363 1.00 . A A . 6 ARG CB 1 1
8 3864 1 1 7 ARG CD C -16.828 4.229 -1.839 1.00 . A A . 6 ARG CD 1 1
8 3865 1 1 7 ARG CG C -16.002 4.208 -0.544 1.00 . A A . 6 ARG CG 1 1
8 3866 1 1 7 ARG CZ C -15.934 3.891 -4.168 1.00 . A A . 6 ARG CZ 1 1
8 3867 1 1 7 ARG H H -13.474 3.529 -0.959 1.00 . A A . 6 ARG H 1 1
8 3868 1 1 7 ARG HA H -14.488 5.733 -2.409 1.00 . A A . 6 ARG HA 1 1
8 3869 1 1 7 ARG HB2 H -14.502 5.214 0.585 1.00 . A A . 6 ARG HB2 1 1
8 3870 1 1 7 ARG HB3 H -15.594 6.290 -0.294 1.00 . A A . 6 ARG HB3 1 1
8 3871 1 1 7 ARG HD2 H -17.794 3.767 -1.640 1.00 . A A . 6 ARG HD2 1 1
8 3872 1 1 7 ARG HD3 H -17.019 5.257 -2.135 1.00 . A A . 6 ARG HD3 1 1
8 3873 1 1 7 ARG HE H -15.976 2.496 -2.709 1.00 . A A . 6 ARG HE 1 1
8 3874 1 1 7 ARG HG2 H -15.416 3.297 -0.496 1.00 . A A . 6 ARG HG2 1 1
8 3875 1 1 7 ARG HG3 H -16.690 4.217 0.300 1.00 . A A . 6 ARG HG3 1 1
8 3876 1 1 7 ARG HH11 H -16.525 5.821 -3.904 1.00 . A A . 6 ARG HH11 1 1
8 3877 1 1 7 ARG HH12 H -15.961 5.417 -5.510 1.00 . A A . 6 ARG HH12 1 1
8 3878 1 1 7 ARG HH21 H -15.297 2.075 -4.822 1.00 . A A . 6 ARG HH21 1 1
8 3879 1 1 7 ARG HH22 H -15.297 3.346 -6.020 1.00 . A A . 6 ARG HH22 1 1
8 3880 1 1 7 ARG N N -13.301 4.224 -1.669 1.00 . A A . 6 ARG N 1 1
8 3881 1 1 7 ARG NE N -16.191 3.461 -2.922 1.00 . A A . 6 ARG NE 1 1
8 3882 1 1 7 ARG NH1 N -16.149 5.146 -4.555 1.00 . A A . 6 ARG NH1 1 1
8 3883 1 1 7 ARG NH2 N -15.450 3.042 -5.069 1.00 . A A . 6 ARG NH2 1 1
8 3884 1 1 7 ARG O O -11.840 6.357 -0.801 1.00 . A A . 6 ARG O 1 1
8 3885 1 1 8 ASP C C -12.286 9.058 0.700 1.00 . A A . 7 ASP C 1 1
8 3886 1 1 8 ASP CA C -12.787 9.055 -0.758 1.00 . A A . 7 ASP CA 1 1
8 3887 1 1 8 ASP CB C -13.764 10.217 -0.957 1.00 . A A . 7 ASP CB 1 1
8 3888 1 1 8 ASP CG C -13.081 11.551 -0.745 1.00 . A A . 7 ASP CG 1 1
8 3889 1 1 8 ASP H H -14.471 7.960 -1.406 1.00 . A A . 7 ASP H 1 1
8 3890 1 1 8 ASP HA H -11.935 9.178 -1.429 1.00 . A A . 7 ASP HA 1 1
8 3891 1 1 8 ASP HB2 H -14.188 10.191 -1.959 1.00 . A A . 7 ASP HB2 1 1
8 3892 1 1 8 ASP HB3 H -14.578 10.127 -0.240 1.00 . A A . 7 ASP HB3 1 1
8 3893 1 1 8 ASP N N -13.502 7.845 -1.142 1.00 . A A . 7 ASP N 1 1
8 3894 1 1 8 ASP O O -11.478 9.904 1.081 1.00 . A A . 7 ASP O 1 1
8 3895 1 1 8 ASP OD1 O -12.020 11.759 -1.373 1.00 . A A . 7 ASP OD1 1 1
8 3896 1 1 8 ASP OD2 O -13.594 12.338 0.060 1.00 . A A . 7 ASP OD2 1 1
8 3897 1 1 9 SER C C -11.254 7.872 3.507 1.00 . A A . 8 SER C 1 1
8 3898 1 1 9 SER CA C -12.663 8.139 2.969 1.00 . A A . 8 SER CA 1 1
8 3899 1 1 9 SER CB C -13.609 7.081 3.541 1.00 . A A . 8 SER CB 1 1
8 3900 1 1 9 SER H H -13.460 7.483 1.148 1.00 . A A . 8 SER H 1 1
8 3901 1 1 9 SER HA H -12.982 9.118 3.324 1.00 . A A . 8 SER HA 1 1
8 3902 1 1 9 SER HB2 H -13.211 6.090 3.321 1.00 . A A . 8 SER HB2 1 1
8 3903 1 1 9 SER HB3 H -13.686 7.208 4.620 1.00 . A A . 8 SER HB3 1 1
8 3904 1 1 9 SER HG H -15.251 8.055 3.167 1.00 . A A . 8 SER HG 1 1
8 3905 1 1 9 SER N N -12.785 8.131 1.522 1.00 . A A . 8 SER N 1 1
8 3906 1 1 9 SER O O -11.084 7.988 4.717 1.00 . A A . 8 SER O 1 1
8 3907 1 1 9 SER OG O -14.894 7.181 2.977 1.00 . A A . 8 SER OG 1 1
8 3908 1 1 10 GLY C C -7.906 7.476 2.087 1.00 . A A . 9 GLY C 1 1
8 3909 1 1 10 GLY CA C -8.952 7.084 3.129 1.00 . A A . 9 GLY CA 1 1
8 3910 1 1 10 GLY H H -10.425 7.442 1.678 1.00 . A A . 9 GLY H 1 1
8 3911 1 1 10 GLY HA2 H -8.708 7.546 4.082 1.00 . A A . 9 GLY HA2 1 1
8 3912 1 1 10 GLY HA3 H -8.972 6.008 3.288 1.00 . A A . 9 GLY HA3 1 1
8 3913 1 1 10 GLY N N -10.271 7.488 2.676 1.00 . A A . 9 GLY N 1 1
8 3914 1 1 10 GLY O O -7.737 8.661 1.825 1.00 . A A . 9 GLY O 1 1
8 3915 1 1 11 TYR C C -5.910 4.500 1.074 1.00 . A A . 10 TYR C 1 1
8 3916 1 1 11 TYR CA C -7.137 5.126 1.729 1.00 . A A . 10 TYR CA 1 1
8 3917 1 1 11 TYR CB C -8.396 4.453 1.171 1.00 . A A . 10 TYR CB 1 1
8 3918 1 1 11 TYR CD1 C -8.509 2.695 2.998 1.00 . A A . 10 TYR CD1 1 1
8 3919 1 1 11 TYR CD2 C -10.545 3.797 2.267 1.00 . A A . 10 TYR CD2 1 1
8 3920 1 1 11 TYR CE1 C -9.236 1.916 3.905 1.00 . A A . 10 TYR CE1 1 1
8 3921 1 1 11 TYR CE2 C -11.284 2.995 3.142 1.00 . A A . 10 TYR CE2 1 1
8 3922 1 1 11 TYR CG C -9.159 3.627 2.171 1.00 . A A . 10 TYR CG 1 1
8 3923 1 1 11 TYR CZ C -10.637 2.050 3.968 1.00 . A A . 10 TYR CZ 1 1
8 3924 1 1 11 TYR H H -6.669 6.822 0.654 1.00 . A A . 10 TYR H 1 1
8 3925 1 1 11 TYR HA H -7.077 4.975 2.806 1.00 . A A . 10 TYR HA 1 1
8 3926 1 1 11 TYR HB2 H -9.076 5.205 0.783 1.00 . A A . 10 TYR HB2 1 1
8 3927 1 1 11 TYR HB3 H -8.132 3.825 0.324 1.00 . A A . 10 TYR HB3 1 1
8 3928 1 1 11 TYR HD1 H -7.448 2.565 2.934 1.00 . A A . 10 TYR HD1 1 1
8 3929 1 1 11 TYR HD2 H -11.048 4.521 1.642 1.00 . A A . 10 TYR HD2 1 1
8 3930 1 1 11 TYR HE1 H -8.724 1.215 4.539 1.00 . A A . 10 TYR HE1 1 1
8 3931 1 1 11 TYR HE2 H -12.347 3.117 3.169 1.00 . A A . 10 TYR HE2 1 1
8 3932 1 1 11 TYR HH H -12.293 1.476 4.810 1.00 . A A . 10 TYR HH 1 1
8 3933 1 1 11 TYR N N -7.175 6.544 1.472 1.00 . A A . 10 TYR N 1 1
8 3934 1 1 11 TYR O O -5.514 4.858 -0.033 1.00 . A A . 10 TYR O 1 1
8 3935 1 1 11 TYR OH O -11.353 1.283 4.833 1.00 . A A . 10 TYR OH 1 1
8 3936 1 1 12 GLU C C -5.603 1.104 1.721 1.00 . A A . 11 GLU C 1 1
8 3937 1 1 12 GLU CA C -4.879 2.299 1.089 1.00 . A A . 11 GLU CA 1 1
8 3938 1 1 12 GLU CB C -3.371 2.239 1.296 1.00 . A A . 11 GLU CB 1 1
8 3939 1 1 12 GLU CD C -1.410 0.715 0.868 1.00 . A A . 11 GLU CD 1 1
8 3940 1 1 12 GLU CG C -2.792 1.135 0.411 1.00 . A A . 11 GLU CG 1 1
8 3941 1 1 12 GLU H H -5.699 3.327 2.693 1.00 . A A . 11 GLU H 1 1
8 3942 1 1 12 GLU HA H -5.092 2.352 0.022 1.00 . A A . 11 GLU HA 1 1
8 3943 1 1 12 GLU HB2 H -2.926 3.194 1.019 1.00 . A A . 11 GLU HB2 1 1
8 3944 1 1 12 GLU HB3 H -3.152 2.048 2.346 1.00 . A A . 11 GLU HB3 1 1
8 3945 1 1 12 GLU HG2 H -3.438 0.257 0.446 1.00 . A A . 11 GLU HG2 1 1
8 3946 1 1 12 GLU HG3 H -2.747 1.484 -0.620 1.00 . A A . 11 GLU HG3 1 1
8 3947 1 1 12 GLU N N -5.400 3.471 1.742 1.00 . A A . 11 GLU N 1 1
8 3948 1 1 12 GLU O O -5.295 0.692 2.833 1.00 . A A . 11 GLU O 1 1
8 3949 1 1 12 GLU OE1 O -0.678 1.537 1.447 1.00 . A A . 11 GLU OE1 1 1
8 3950 1 1 12 GLU OE2 O -1.100 -0.473 0.648 1.00 . A A . 11 GLU OE2 1 1
8 3951 1 1 13 VAL C C -6.707 -1.786 1.799 1.00 . A A . 12 VAL C 1 1
8 3952 1 1 13 VAL CA C -7.476 -0.497 1.505 1.00 . A A . 12 VAL CA 1 1
8 3953 1 1 13 VAL CB C -8.587 -0.733 0.463 1.00 . A A . 12 VAL CB 1 1
8 3954 1 1 13 VAL CG1 C -9.446 -1.973 0.752 1.00 . A A . 12 VAL CG1 1 1
8 3955 1 1 13 VAL CG2 C -9.511 0.485 0.429 1.00 . A A . 12 VAL CG2 1 1
8 3956 1 1 13 VAL H H -6.799 0.928 0.104 1.00 . A A . 12 VAL H 1 1
8 3957 1 1 13 VAL HA H -7.938 -0.159 2.428 1.00 . A A . 12 VAL HA 1 1
8 3958 1 1 13 VAL HB H -8.139 -0.858 -0.521 1.00 . A A . 12 VAL HB 1 1
8 3959 1 1 13 VAL HG11 H -9.879 -1.900 1.750 1.00 . A A . 12 VAL HG11 1 1
8 3960 1 1 13 VAL HG12 H -10.239 -2.058 0.013 1.00 . A A . 12 VAL HG12 1 1
8 3961 1 1 13 VAL HG13 H -8.839 -2.873 0.682 1.00 . A A . 12 VAL HG13 1 1
8 3962 1 1 13 VAL HG21 H -8.959 1.391 0.199 1.00 . A A . 12 VAL HG21 1 1
8 3963 1 1 13 VAL HG22 H -10.255 0.332 -0.347 1.00 . A A . 12 VAL HG22 1 1
8 3964 1 1 13 VAL HG23 H -9.985 0.610 1.400 1.00 . A A . 12 VAL HG23 1 1
8 3965 1 1 13 VAL N N -6.600 0.565 1.022 1.00 . A A . 12 VAL N 1 1
8 3966 1 1 13 VAL O O -7.161 -2.572 2.628 1.00 . A A . 12 VAL O 1 1
8 3967 1 1 14 HIS C C -4.348 -3.773 2.444 1.00 . A A . 13 HIS C 1 1
8 3968 1 1 14 HIS CA C -4.887 -3.285 1.092 1.00 . A A . 13 HIS CA 1 1
8 3969 1 1 14 HIS CB C -3.767 -3.247 0.043 1.00 . A A . 13 HIS CB 1 1
8 3970 1 1 14 HIS CD2 C -5.456 -3.481 -1.903 1.00 . A A . 13 HIS CD2 1 1
8 3971 1 1 14 HIS CE1 C -4.299 -2.577 -3.522 1.00 . A A . 13 HIS CE1 1 1
8 3972 1 1 14 HIS CG C -4.234 -3.132 -1.392 1.00 . A A . 13 HIS CG 1 1
8 3973 1 1 14 HIS H H -5.242 -1.293 0.488 1.00 . A A . 13 HIS H 1 1
8 3974 1 1 14 HIS HA H -5.638 -4.001 0.773 1.00 . A A . 13 HIS HA 1 1
8 3975 1 1 14 HIS HB2 H -3.096 -2.418 0.267 1.00 . A A . 13 HIS HB2 1 1
8 3976 1 1 14 HIS HB3 H -3.188 -4.160 0.130 1.00 . A A . 13 HIS HB3 1 1
8 3977 1 1 14 HIS HD1 H -2.579 -2.222 -2.374 1.00 . A A . 13 HIS HD1 1 1
8 3978 1 1 14 HIS HD2 H -6.270 -3.917 -1.348 1.00 . A A . 13 HIS HD2 1 1
8 3979 1 1 14 HIS HE1 H -4.005 -2.176 -4.480 1.00 . A A . 13 HIS HE1 1 1
8 3980 1 1 14 HIS N N -5.563 -1.999 1.134 1.00 . A A . 13 HIS N 1 1
8 3981 1 1 14 HIS ND1 N -3.518 -2.587 -2.431 1.00 . A A . 13 HIS ND1 1 1
8 3982 1 1 14 HIS NE2 N -5.502 -3.105 -3.250 1.00 . A A . 13 HIS NE2 1 1
8 3983 1 1 14 HIS O O -4.012 -4.951 2.537 1.00 . A A . 13 HIS O 1 1
8 3984 1 1 15 HIS C C -5.019 -3.189 5.860 1.00 . A A . 14 HIS C 1 1
8 3985 1 1 15 HIS CA C -3.884 -3.316 4.832 1.00 . A A . 14 HIS CA 1 1
8 3986 1 1 15 HIS CB C -2.670 -2.493 5.292 1.00 . A A . 14 HIS CB 1 1
8 3987 1 1 15 HIS CD2 C -0.961 -1.306 3.806 1.00 . A A . 14 HIS CD2 1 1
8 3988 1 1 15 HIS CE1 C -0.005 -3.033 2.855 1.00 . A A . 14 HIS CE1 1 1
8 3989 1 1 15 HIS CG C -1.537 -2.438 4.309 1.00 . A A . 14 HIS CG 1 1
8 3990 1 1 15 HIS H H -4.590 -1.964 3.335 1.00 . A A . 14 HIS H 1 1
8 3991 1 1 15 HIS HA H -3.582 -4.364 4.824 1.00 . A A . 14 HIS HA 1 1
8 3992 1 1 15 HIS HB2 H -2.990 -1.478 5.514 1.00 . A A . 14 HIS HB2 1 1
8 3993 1 1 15 HIS HB3 H -2.283 -2.925 6.213 1.00 . A A . 14 HIS HB3 1 1
8 3994 1 1 15 HIS HD1 H -1.111 -4.484 3.890 1.00 . A A . 14 HIS HD1 1 1
8 3995 1 1 15 HIS HD2 H -1.229 -0.292 4.067 1.00 . A A . 14 HIS HD2 1 1
8 3996 1 1 15 HIS HE1 H 0.621 -3.640 2.219 1.00 . A A . 14 HIS HE1 1 1
8 3997 1 1 15 HIS N N -4.291 -2.921 3.479 1.00 . A A . 14 HIS N 1 1
8 3998 1 1 15 HIS ND1 N -0.905 -3.509 3.727 1.00 . A A . 14 HIS ND1 1 1
8 3999 1 1 15 HIS NE2 N 0.019 -1.695 2.890 1.00 . A A . 14 HIS NE2 1 1
8 4000 1 1 15 HIS O O -4.736 -3.230 7.051 1.00 . A A . 14 HIS O 1 1
8 4001 1 1 16 GLN C C -8.625 -3.555 6.040 1.00 . A A . 15 GLN C 1 1
8 4002 1 1 16 GLN CA C -7.383 -2.731 6.366 1.00 . A A . 15 GLN CA 1 1
8 4003 1 1 16 GLN CB C -7.683 -1.229 6.346 1.00 . A A . 15 GLN CB 1 1
8 4004 1 1 16 GLN CD C -6.853 1.031 7.176 1.00 . A A . 15 GLN CD 1 1
8 4005 1 1 16 GLN CG C -6.693 -0.479 7.245 1.00 . A A . 15 GLN CG 1 1
8 4006 1 1 16 GLN H H -6.492 -2.980 4.470 1.00 . A A . 15 GLN H 1 1
8 4007 1 1 16 GLN HA H -7.093 -3.003 7.376 1.00 . A A . 15 GLN HA 1 1
8 4008 1 1 16 GLN HB2 H -7.634 -0.847 5.324 1.00 . A A . 15 GLN HB2 1 1
8 4009 1 1 16 GLN HB3 H -8.688 -1.073 6.729 1.00 . A A . 15 GLN HB3 1 1
8 4010 1 1 16 GLN HE21 H -8.856 0.917 7.487 1.00 . A A . 15 GLN HE21 1 1
8 4011 1 1 16 GLN HE22 H -8.222 2.530 7.247 1.00 . A A . 15 GLN HE22 1 1
8 4012 1 1 16 GLN HG2 H -6.850 -0.800 8.275 1.00 . A A . 15 GLN HG2 1 1
8 4013 1 1 16 GLN HG3 H -5.671 -0.722 6.953 1.00 . A A . 15 GLN HG3 1 1
8 4014 1 1 16 GLN N N -6.282 -3.002 5.453 1.00 . A A . 15 GLN N 1 1
8 4015 1 1 16 GLN NE2 N -8.075 1.534 7.319 1.00 . A A . 15 GLN NE2 1 1
8 4016 1 1 16 GLN O O -9.001 -4.411 6.836 1.00 . A A . 15 GLN O 1 1
8 4017 1 1 16 GLN OE1 O -5.875 1.745 6.994 1.00 . A A . 15 GLN OE1 1 1
8 4018 1 1 17 LYS C C -10.600 -4.732 3.412 1.00 . A A . 16 LYS C 1 1
8 4019 1 1 17 LYS CA C -10.613 -3.840 4.642 1.00 . A A . 16 LYS CA 1 1
8 4020 1 1 17 LYS CB C -11.622 -2.704 4.462 1.00 . A A . 16 LYS CB 1 1
8 4021 1 1 17 LYS CD C -12.340 -2.626 6.919 1.00 . A A . 16 LYS CD 1 1
8 4022 1 1 17 LYS CE C -12.798 -1.631 7.979 1.00 . A A . 16 LYS CE 1 1
8 4023 1 1 17 LYS CG C -11.837 -1.835 5.707 1.00 . A A . 16 LYS CG 1 1
8 4024 1 1 17 LYS H H -8.925 -2.602 4.269 1.00 . A A . 16 LYS H 1 1
8 4025 1 1 17 LYS HA H -10.941 -4.457 5.476 1.00 . A A . 16 LYS HA 1 1
8 4026 1 1 17 LYS HB2 H -11.299 -2.064 3.642 1.00 . A A . 16 LYS HB2 1 1
8 4027 1 1 17 LYS HB3 H -12.577 -3.146 4.196 1.00 . A A . 16 LYS HB3 1 1
8 4028 1 1 17 LYS HD2 H -13.184 -3.252 6.625 1.00 . A A . 16 LYS HD2 1 1
8 4029 1 1 17 LYS HD3 H -11.540 -3.247 7.324 1.00 . A A . 16 LYS HD3 1 1
8 4030 1 1 17 LYS HE2 H -11.975 -0.966 8.228 1.00 . A A . 16 LYS HE2 1 1
8 4031 1 1 17 LYS HE3 H -13.613 -1.040 7.564 1.00 . A A . 16 LYS HE3 1 1
8 4032 1 1 17 LYS HG2 H -10.910 -1.327 5.970 1.00 . A A . 16 LYS HG2 1 1
8 4033 1 1 17 LYS HG3 H -12.579 -1.078 5.455 1.00 . A A . 16 LYS HG3 1 1
8 4034 1 1 17 LYS HZ1 H -14.045 -2.901 8.970 1.00 . A A . 16 LYS HZ1 1 1
8 4035 1 1 17 LYS HZ2 H -12.525 -2.842 9.601 1.00 . A A . 16 LYS HZ2 1 1
8 4036 1 1 17 LYS HZ3 H -13.572 -1.602 9.867 1.00 . A A . 16 LYS HZ3 1 1
8 4037 1 1 17 LYS N N -9.291 -3.287 4.914 1.00 . A A . 16 LYS N 1 1
8 4038 1 1 17 LYS NZ N -13.270 -2.293 9.196 1.00 . A A . 16 LYS NZ 1 1
8 4039 1 1 17 LYS O O -9.759 -4.578 2.533 1.00 . A A . 16 LYS O 1 1
8 4040 1 1 18 NH2 HN1 H -11.601 -6.270 2.534 1.00 . A A . 17 NH2 HN1 1 1
8 4041 1 1 18 NH2 HN2 H -12.241 -5.738 4.073 1.00 . A A . 17 NH2 HN2 1 1
8 4042 1 1 18 NH2 N N -11.555 -5.657 3.336 1.00 . A A . 17 NH2 N 1 1
8 4043 2 1 1 ACE C C 13.607 6.778 -3.868 1.00 . B B . 0 ACE C 1 1
8 4044 2 1 1 ACE CH3 C 12.399 7.076 -2.997 1.00 . B B . 0 ACE CH3 1 1
8 4045 2 1 1 ACE H1 H 12.154 6.193 -2.410 1.00 . B B . 0 ACE H1 1 1
8 4046 2 1 1 ACE H2 H 12.616 7.906 -2.329 1.00 . B B . 0 ACE H2 1 1
8 4047 2 1 1 ACE H3 H 11.551 7.348 -3.625 1.00 . B B . 0 ACE H3 1 1
8 4048 2 1 1 ACE O O 13.439 6.406 -5.023 1.00 . B B . 0 ACE O 1 1
8 4049 2 1 2 ASP C C 16.254 5.234 -4.362 1.00 . B B . 1 ASP C 1 1
8 4050 2 1 2 ASP CA C 16.068 6.724 -4.045 1.00 . B B . 1 ASP CA 1 1
8 4051 2 1 2 ASP CB C 17.245 7.290 -3.231 1.00 . B B . 1 ASP CB 1 1
8 4052 2 1 2 ASP CG C 18.428 7.721 -4.095 1.00 . B B . 1 ASP CG 1 1
8 4053 2 1 2 ASP H H 14.886 7.213 -2.355 1.00 . B B . 1 ASP H 1 1
8 4054 2 1 2 ASP HA H 16.003 7.277 -4.984 1.00 . B B . 1 ASP HA 1 1
8 4055 2 1 2 ASP HB2 H 16.904 8.164 -2.674 1.00 . B B . 1 ASP HB2 1 1
8 4056 2 1 2 ASP HB3 H 17.589 6.540 -2.519 1.00 . B B . 1 ASP HB3 1 1
8 4057 2 1 2 ASP N N 14.818 6.944 -3.325 1.00 . B B . 1 ASP N 1 1
8 4058 2 1 2 ASP O O 15.846 4.379 -3.579 1.00 . B B . 1 ASP O 1 1
8 4059 2 1 2 ASP OD1 O 18.640 7.114 -5.160 1.00 . B B . 1 ASP OD1 1 1
8 4060 2 1 2 ASP OD2 O 19.111 8.682 -3.693 1.00 . B B . 1 ASP OD2 1 1
8 4061 2 1 3 ALA C C 17.468 2.538 -5.168 1.00 . B B . 2 ALA C 1 1
8 4062 2 1 3 ALA CA C 17.012 3.632 -6.127 1.00 . B B . 2 ALA CA 1 1
8 4063 2 1 3 ALA CB C 17.992 3.746 -7.294 1.00 . B B . 2 ALA CB 1 1
8 4064 2 1 3 ALA H H 17.237 5.724 -6.048 1.00 . B B . 2 ALA H 1 1
8 4065 2 1 3 ALA HA H 16.042 3.350 -6.524 1.00 . B B . 2 ALA HA 1 1
8 4066 2 1 3 ALA HB1 H 18.127 2.766 -7.751 1.00 . B B . 2 ALA HB1 1 1
8 4067 2 1 3 ALA HB2 H 17.599 4.439 -8.036 1.00 . B B . 2 ALA HB2 1 1
8 4068 2 1 3 ALA HB3 H 18.956 4.105 -6.939 1.00 . B B . 2 ALA HB3 1 1
8 4069 2 1 3 ALA N N 16.878 4.948 -5.513 1.00 . B B . 2 ALA N 1 1
8 4070 2 1 3 ALA O O 16.852 1.478 -5.131 1.00 . B B . 2 ALA O 1 1
8 4071 2 1 4 GLU C C 18.158 1.236 -2.463 1.00 . B B . 3 GLU C 1 1
8 4072 2 1 4 GLU CA C 19.138 1.931 -3.409 1.00 . B B . 3 GLU CA 1 1
8 4073 2 1 4 GLU CB C 20.165 2.733 -2.597 1.00 . B B . 3 GLU CB 1 1
8 4074 2 1 4 GLU CD C 20.465 4.965 -1.430 1.00 . B B . 3 GLU CD 1 1
8 4075 2 1 4 GLU CG C 19.493 3.882 -1.835 1.00 . B B . 3 GLU CG 1 1
8 4076 2 1 4 GLU H H 18.934 3.732 -4.483 1.00 . B B . 3 GLU H 1 1
8 4077 2 1 4 GLU HA H 19.668 1.158 -3.958 1.00 . B B . 3 GLU HA 1 1
8 4078 2 1 4 GLU HB2 H 20.665 2.076 -1.884 1.00 . B B . 3 GLU HB2 1 1
8 4079 2 1 4 GLU HB3 H 20.922 3.128 -3.268 1.00 . B B . 3 GLU HB3 1 1
8 4080 2 1 4 GLU HG2 H 18.724 4.361 -2.441 1.00 . B B . 3 GLU HG2 1 1
8 4081 2 1 4 GLU HG3 H 19.027 3.464 -0.945 1.00 . B B . 3 GLU HG3 1 1
8 4082 2 1 4 GLU N N 18.511 2.820 -4.381 1.00 . B B . 3 GLU N 1 1
8 4083 2 1 4 GLU O O 18.417 0.094 -2.111 1.00 . B B . 3 GLU O 1 1
8 4084 2 1 4 GLU OE1 O 20.993 5.643 -2.334 1.00 . B B . 3 GLU OE1 1 1
8 4085 2 1 4 GLU OE2 O 20.635 5.146 -0.216 1.00 . B B . 3 GLU OE2 1 1
8 4086 2 1 5 PHE C C 14.661 1.217 -1.892 1.00 . B B . 4 PHE C 1 1
8 4087 2 1 5 PHE CA C 16.025 1.319 -1.203 1.00 . B B . 4 PHE CA 1 1
8 4088 2 1 5 PHE CB C 15.947 2.137 0.078 1.00 . B B . 4 PHE CB 1 1
8 4089 2 1 5 PHE CD1 C 13.918 3.632 0.064 1.00 . B B . 4 PHE CD1 1 1
8 4090 2 1 5 PHE CD2 C 16.098 4.612 -0.383 1.00 . B B . 4 PHE CD2 1 1
8 4091 2 1 5 PHE CE1 C 13.328 4.899 -0.059 1.00 . B B . 4 PHE CE1 1 1
8 4092 2 1 5 PHE CE2 C 15.515 5.883 -0.470 1.00 . B B . 4 PHE CE2 1 1
8 4093 2 1 5 PHE CG C 15.307 3.493 -0.082 1.00 . B B . 4 PHE CG 1 1
8 4094 2 1 5 PHE CZ C 14.131 6.025 -0.301 1.00 . B B . 4 PHE CZ 1 1
8 4095 2 1 5 PHE H H 16.916 2.836 -2.379 1.00 . B B . 4 PHE H 1 1
8 4096 2 1 5 PHE HA H 16.307 0.312 -0.917 1.00 . B B . 4 PHE HA 1 1
8 4097 2 1 5 PHE HB2 H 15.372 1.567 0.800 1.00 . B B . 4 PHE HB2 1 1
8 4098 2 1 5 PHE HB3 H 16.952 2.257 0.482 1.00 . B B . 4 PHE HB3 1 1
8 4099 2 1 5 PHE HD1 H 13.313 2.761 0.265 1.00 . B B . 4 PHE HD1 1 1
8 4100 2 1 5 PHE HD2 H 17.154 4.493 -0.540 1.00 . B B . 4 PHE HD2 1 1
8 4101 2 1 5 PHE HE1 H 12.263 5.009 0.045 1.00 . B B . 4 PHE HE1 1 1
8 4102 2 1 5 PHE HE2 H 16.127 6.747 -0.669 1.00 . B B . 4 PHE HE2 1 1
8 4103 2 1 5 PHE HZ H 13.688 7.001 -0.373 1.00 . B B . 4 PHE HZ 1 1
8 4104 2 1 5 PHE N N 17.055 1.885 -2.070 1.00 . B B . 4 PHE N 1 1
8 4105 2 1 5 PHE O O 13.762 0.574 -1.350 1.00 . B B . 4 PHE O 1 1
8 4106 2 1 6 ARG C C 13.682 0.285 -4.782 1.00 . B B . 5 ARG C 1 1
8 4107 2 1 6 ARG CA C 13.432 1.593 -4.017 1.00 . B B . 5 ARG CA 1 1
8 4108 2 1 6 ARG CB C 13.291 2.854 -4.882 1.00 . B B . 5 ARG CB 1 1
8 4109 2 1 6 ARG CD C 10.730 2.621 -5.026 1.00 . B B . 5 ARG CD 1 1
8 4110 2 1 6 ARG CG C 12.048 2.852 -5.770 1.00 . B B . 5 ARG CG 1 1
8 4111 2 1 6 ARG CZ C 9.791 4.803 -4.294 1.00 . B B . 5 ARG CZ 1 1
8 4112 2 1 6 ARG H H 15.297 2.341 -3.459 1.00 . B B . 5 ARG H 1 1
8 4113 2 1 6 ARG HA H 12.525 1.483 -3.437 1.00 . B B . 5 ARG HA 1 1
8 4114 2 1 6 ARG HB2 H 13.245 3.721 -4.224 1.00 . B B . 5 ARG HB2 1 1
8 4115 2 1 6 ARG HB3 H 14.169 2.958 -5.517 1.00 . B B . 5 ARG HB3 1 1
8 4116 2 1 6 ARG HD2 H 9.917 2.575 -5.743 1.00 . B B . 5 ARG HD2 1 1
8 4117 2 1 6 ARG HD3 H 10.756 1.665 -4.509 1.00 . B B . 5 ARG HD3 1 1
8 4118 2 1 6 ARG HE H 10.706 3.462 -3.091 1.00 . B B . 5 ARG HE 1 1
8 4119 2 1 6 ARG HG2 H 12.003 3.803 -6.301 1.00 . B B . 5 ARG HG2 1 1
8 4120 2 1 6 ARG HG3 H 12.159 2.059 -6.499 1.00 . B B . 5 ARG HG3 1 1
8 4121 2 1 6 ARG HH11 H 9.738 4.604 -6.317 1.00 . B B . 5 ARG HH11 1 1
8 4122 2 1 6 ARG HH12 H 8.999 6.058 -5.690 1.00 . B B . 5 ARG HH12 1 1
8 4123 2 1 6 ARG HH21 H 9.671 5.321 -2.333 1.00 . B B . 5 ARG HH21 1 1
8 4124 2 1 6 ARG HH22 H 8.944 6.445 -3.455 1.00 . B B . 5 ARG HH22 1 1
8 4125 2 1 6 ARG N N 14.529 1.800 -3.093 1.00 . B B . 5 ARG N 1 1
8 4126 2 1 6 ARG NE N 10.448 3.668 -4.045 1.00 . B B . 5 ARG NE 1 1
8 4127 2 1 6 ARG NH1 N 9.484 5.186 -5.533 1.00 . B B . 5 ARG NH1 1 1
8 4128 2 1 6 ARG NH2 N 9.429 5.577 -3.279 1.00 . B B . 5 ARG NH2 1 1
8 4129 2 1 6 ARG O O 13.815 0.263 -6.001 1.00 . B B . 5 ARG O 1 1
8 4130 2 1 7 ARG C C 13.097 -2.970 -4.907 1.00 . B B . 6 ARG C 1 1
8 4131 2 1 7 ARG CA C 14.273 -2.115 -4.423 1.00 . B B . 6 ARG CA 1 1
8 4132 2 1 7 ARG CB C 14.945 -2.755 -3.199 1.00 . B B . 6 ARG CB 1 1
8 4133 2 1 7 ARG CD C 17.452 -2.332 -3.702 1.00 . B B . 6 ARG CD 1 1
8 4134 2 1 7 ARG CG C 16.268 -2.110 -2.759 1.00 . B B . 6 ARG CG 1 1
8 4135 2 1 7 ARG CZ C 17.859 -1.595 -6.047 1.00 . B B . 6 ARG CZ 1 1
8 4136 2 1 7 ARG H H 13.697 -0.680 -3.024 1.00 . B B . 6 ARG H 1 1
8 4137 2 1 7 ARG HA H 14.996 -2.015 -5.223 1.00 . B B . 6 ARG HA 1 1
8 4138 2 1 7 ARG HB2 H 14.262 -2.640 -2.361 1.00 . B B . 6 ARG HB2 1 1
8 4139 2 1 7 ARG HB3 H 15.100 -3.817 -3.371 1.00 . B B . 6 ARG HB3 1 1
8 4140 2 1 7 ARG HD2 H 18.376 -2.229 -3.133 1.00 . B B . 6 ARG HD2 1 1
8 4141 2 1 7 ARG HD3 H 17.414 -3.340 -4.098 1.00 . B B . 6 ARG HD3 1 1
8 4142 2 1 7 ARG HE H 17.194 -0.410 -4.557 1.00 . B B . 6 ARG HE 1 1
8 4143 2 1 7 ARG HG2 H 16.116 -1.044 -2.622 1.00 . B B . 6 ARG HG2 1 1
8 4144 2 1 7 ARG HG3 H 16.539 -2.530 -1.793 1.00 . B B . 6 ARG HG3 1 1
8 4145 2 1 7 ARG HH11 H 18.265 -3.569 -5.762 1.00 . B B . 6 ARG HH11 1 1
8 4146 2 1 7 ARG HH12 H 18.518 -2.976 -7.386 1.00 . B B . 6 ARG HH12 1 1
8 4147 2 1 7 ARG HH21 H 17.511 0.308 -6.687 1.00 . B B . 6 ARG HH21 1 1
8 4148 2 1 7 ARG HH22 H 18.105 -0.803 -7.902 1.00 . B B . 6 ARG HH22 1 1
8 4149 2 1 7 ARG N N 13.820 -0.798 -4.016 1.00 . B B . 6 ARG N 1 1
8 4150 2 1 7 ARG NE N 17.480 -1.350 -4.788 1.00 . B B . 6 ARG NE 1 1
8 4151 2 1 7 ARG NH1 N 18.256 -2.808 -6.425 1.00 . B B . 6 ARG NH1 1 1
8 4152 2 1 7 ARG NH2 N 17.833 -0.613 -6.948 1.00 . B B . 6 ARG NH2 1 1
8 4153 2 1 7 ARG O O 11.951 -2.718 -4.545 1.00 . B B . 6 ARG O 1 1
8 4154 2 1 8 ASP C C 12.084 -6.058 -5.104 1.00 . B B . 7 ASP C 1 1
8 4155 2 1 8 ASP CA C 12.378 -4.975 -6.154 1.00 . B B . 7 ASP CA 1 1
8 4156 2 1 8 ASP CB C 12.838 -5.606 -7.474 1.00 . B B . 7 ASP CB 1 1
8 4157 2 1 8 ASP CG C 13.818 -6.764 -7.308 1.00 . B B . 7 ASP CG 1 1
8 4158 2 1 8 ASP H H 14.341 -4.170 -5.970 1.00 . B B . 7 ASP H 1 1
8 4159 2 1 8 ASP HA H 11.452 -4.435 -6.355 1.00 . B B . 7 ASP HA 1 1
8 4160 2 1 8 ASP HB2 H 11.961 -5.989 -7.986 1.00 . B B . 7 ASP HB2 1 1
8 4161 2 1 8 ASP HB3 H 13.291 -4.835 -8.094 1.00 . B B . 7 ASP HB3 1 1
8 4162 2 1 8 ASP N N 13.380 -4.009 -5.701 1.00 . B B . 7 ASP N 1 1
8 4163 2 1 8 ASP O O 11.158 -6.841 -5.281 1.00 . B B . 7 ASP O 1 1
8 4164 2 1 8 ASP OD1 O 13.366 -7.870 -6.956 1.00 . B B . 7 ASP OD1 1 1
8 4165 2 1 8 ASP OD2 O 15.018 -6.543 -7.552 1.00 . B B . 7 ASP OD2 1 1
8 4166 2 1 9 SER C C 11.770 -7.127 -2.039 1.00 . B B . 8 SER C 1 1
8 4167 2 1 9 SER CA C 12.936 -7.182 -3.040 1.00 . B B . 8 SER CA 1 1
8 4168 2 1 9 SER CB C 14.284 -7.133 -2.311 1.00 . B B . 8 SER CB 1 1
8 4169 2 1 9 SER H H 13.694 -5.501 -4.062 1.00 . B B . 8 SER H 1 1
8 4170 2 1 9 SER HA H 12.874 -8.131 -3.566 1.00 . B B . 8 SER HA 1 1
8 4171 2 1 9 SER HB2 H 14.362 -6.196 -1.758 1.00 . B B . 8 SER HB2 1 1
8 4172 2 1 9 SER HB3 H 14.355 -7.965 -1.611 1.00 . B B . 8 SER HB3 1 1
8 4173 2 1 9 SER HG H 15.408 -8.131 -3.546 1.00 . B B . 8 SER HG 1 1
8 4174 2 1 9 SER N N 12.908 -6.131 -4.054 1.00 . B B . 8 SER N 1 1
8 4175 2 1 9 SER O O 11.966 -7.403 -0.860 1.00 . B B . 8 SER O 1 1
8 4176 2 1 9 SER OG O 15.344 -7.225 -3.234 1.00 . B B . 8 SER OG 1 1
8 4177 2 1 10 GLY C C 8.213 -6.589 -2.726 1.00 . B B . 9 GLY C 1 1
8 4178 2 1 10 GLY CA C 9.345 -6.722 -1.709 1.00 . B B . 9 GLY CA 1 1
8 4179 2 1 10 GLY H H 10.462 -6.507 -3.459 1.00 . B B . 9 GLY H 1 1
8 4180 2 1 10 GLY HA2 H 9.233 -7.640 -1.135 1.00 . B B . 9 GLY HA2 1 1
8 4181 2 1 10 GLY HA3 H 9.382 -5.895 -1.004 1.00 . B B . 9 GLY HA3 1 1
8 4182 2 1 10 GLY N N 10.567 -6.757 -2.484 1.00 . B B . 9 GLY N 1 1
8 4183 2 1 10 GLY O O 7.982 -7.531 -3.470 1.00 . B B . 9 GLY O 1 1
8 4184 2 1 11 TYR C C 6.529 -3.287 -2.270 1.00 . B B . 10 TYR C 1 1
8 4185 2 1 11 TYR CA C 7.691 -4.244 -2.070 1.00 . B B . 10 TYR CA 1 1
8 4186 2 1 11 TYR CB C 8.978 -3.541 -2.510 1.00 . B B . 10 TYR CB 1 1
8 4187 2 1 11 TYR CD1 C 9.636 -2.829 -0.161 1.00 . B B . 10 TYR CD1 1 1
8 4188 2 1 11 TYR CD2 C 11.325 -3.737 -1.659 1.00 . B B . 10 TYR CD2 1 1
8 4189 2 1 11 TYR CE1 C 10.617 -2.597 0.814 1.00 . B B . 10 TYR CE1 1 1
8 4190 2 1 11 TYR CE2 C 12.304 -3.527 -0.685 1.00 . B B . 10 TYR CE2 1 1
8 4191 2 1 11 TYR CG C 9.997 -3.370 -1.411 1.00 . B B . 10 TYR CG 1 1
8 4192 2 1 11 TYR CZ C 11.965 -2.924 0.542 1.00 . B B . 10 TYR CZ 1 1
8 4193 2 1 11 TYR H H 6.874 -5.369 -3.602 1.00 . B B . 10 TYR H 1 1
8 4194 2 1 11 TYR HA H 7.740 -4.500 -1.014 1.00 . B B . 10 TYR HA 1 1
8 4195 2 1 11 TYR HB2 H 9.437 -4.068 -3.341 1.00 . B B . 10 TYR HB2 1 1
8 4196 2 1 11 TYR HB3 H 8.728 -2.562 -2.909 1.00 . B B . 10 TYR HB3 1 1
8 4197 2 1 11 TYR HD1 H 8.615 -2.562 0.047 1.00 . B B . 10 TYR HD1 1 1
8 4198 2 1 11 TYR HD2 H 11.593 -4.193 -2.596 1.00 . B B . 10 TYR HD2 1 1
8 4199 2 1 11 TYR HE1 H 10.338 -2.180 1.767 1.00 . B B . 10 TYR HE1 1 1
8 4200 2 1 11 TYR HE2 H 13.310 -3.858 -0.871 1.00 . B B . 10 TYR HE2 1 1
8 4201 2 1 11 TYR HH H 13.803 -2.980 1.168 1.00 . B B . 10 TYR HH 1 1
8 4202 2 1 11 TYR N N 7.508 -5.459 -2.827 1.00 . B B . 10 TYR N 1 1
8 4203 2 1 11 TYR O O 5.863 -3.288 -3.302 1.00 . B B . 10 TYR O 1 1
8 4204 2 1 11 TYR OH O 12.936 -2.692 1.468 1.00 . B B . 10 TYR OH 1 1
8 4205 2 1 12 GLU C C 6.324 -0.066 -0.676 1.00 . B B . 11 GLU C 1 1
8 4206 2 1 12 GLU CA C 5.563 -1.212 -1.364 1.00 . B B . 11 GLU CA 1 1
8 4207 2 1 12 GLU CB C 4.214 -1.540 -0.727 1.00 . B B . 11 GLU CB 1 1
8 4208 2 1 12 GLU CD C 2.008 -0.477 -0.149 1.00 . B B . 11 GLU CD 1 1
8 4209 2 1 12 GLU CG C 3.140 -0.545 -1.158 1.00 . B B . 11 GLU CG 1 1
8 4210 2 1 12 GLU H H 6.934 -2.503 -0.455 1.00 . B B . 11 GLU H 1 1
8 4211 2 1 12 GLU HA H 5.414 -0.963 -2.412 1.00 . B B . 11 GLU HA 1 1
8 4212 2 1 12 GLU HB2 H 3.887 -2.531 -1.041 1.00 . B B . 11 GLU HB2 1 1
8 4213 2 1 12 GLU HB3 H 4.329 -1.539 0.356 1.00 . B B . 11 GLU HB3 1 1
8 4214 2 1 12 GLU HG2 H 3.583 0.447 -1.260 1.00 . B B . 11 GLU HG2 1 1
8 4215 2 1 12 GLU HG3 H 2.732 -0.850 -2.120 1.00 . B B . 11 GLU HG3 1 1
8 4216 2 1 12 GLU N N 6.390 -2.390 -1.297 1.00 . B B . 11 GLU N 1 1
8 4217 2 1 12 GLU O O 5.885 0.465 0.345 1.00 . B B . 11 GLU O 1 1
8 4218 2 1 12 GLU OE1 O 1.603 -1.517 0.402 1.00 . B B . 11 GLU OE1 1 1
8 4219 2 1 12 GLU OE2 O 1.542 0.655 0.069 1.00 . B B . 11 GLU OE2 1 1
8 4220 2 1 13 VAL C C 7.879 2.605 -0.424 1.00 . B B . 12 VAL C 1 1
8 4221 2 1 13 VAL CA C 8.484 1.221 -0.703 1.00 . B B . 12 VAL CA 1 1
8 4222 2 1 13 VAL CB C 9.700 1.342 -1.652 1.00 . B B . 12 VAL CB 1 1
8 4223 2 1 13 VAL CG1 C 10.741 2.358 -1.142 1.00 . B B . 12 VAL CG1 1 1
8 4224 2 1 13 VAL CG2 C 10.420 0.001 -1.809 1.00 . B B . 12 VAL CG2 1 1
8 4225 2 1 13 VAL H H 7.772 -0.215 -2.072 1.00 . B B . 12 VAL H 1 1
8 4226 2 1 13 VAL HA H 8.852 0.794 0.220 1.00 . B B . 12 VAL HA 1 1
8 4227 2 1 13 VAL HB H 9.341 1.658 -2.630 1.00 . B B . 12 VAL HB 1 1
8 4228 2 1 13 VAL HG11 H 10.981 2.157 -0.100 1.00 . B B . 12 VAL HG11 1 1
8 4229 2 1 13 VAL HG12 H 11.653 2.305 -1.727 1.00 . B B . 12 VAL HG12 1 1
8 4230 2 1 13 VAL HG13 H 10.359 3.371 -1.236 1.00 . B B . 12 VAL HG13 1 1
8 4231 2 1 13 VAL HG21 H 10.803 -0.331 -0.848 1.00 . B B . 12 VAL HG21 1 1
8 4232 2 1 13 VAL HG22 H 9.728 -0.733 -2.204 1.00 . B B . 12 VAL HG22 1 1
8 4233 2 1 13 VAL HG23 H 11.242 0.090 -2.513 1.00 . B B . 12 VAL HG23 1 1
8 4234 2 1 13 VAL N N 7.500 0.272 -1.232 1.00 . B B . 12 VAL N 1 1
8 4235 2 1 13 VAL O O 8.430 3.363 0.371 1.00 . B B . 12 VAL O 1 1
8 4236 2 1 14 HIS C C 5.643 4.477 0.611 1.00 . B B . 13 HIS C 1 1
8 4237 2 1 14 HIS CA C 6.106 4.237 -0.835 1.00 . B B . 13 HIS CA 1 1
8 4238 2 1 14 HIS CB C 4.958 4.409 -1.826 1.00 . B B . 13 HIS CB 1 1
8 4239 2 1 14 HIS CD2 C 5.784 3.480 -4.070 1.00 . B B . 13 HIS CD2 1 1
8 4240 2 1 14 HIS CE1 C 6.312 5.349 -5.079 1.00 . B B . 13 HIS CE1 1 1
8 4241 2 1 14 HIS CG C 5.461 4.516 -3.237 1.00 . B B . 13 HIS CG 1 1
8 4242 2 1 14 HIS H H 6.305 2.296 -1.677 1.00 . B B . 13 HIS H 1 1
8 4243 2 1 14 HIS HA H 6.877 4.974 -1.058 1.00 . B B . 13 HIS HA 1 1
8 4244 2 1 14 HIS HB2 H 4.272 3.566 -1.741 1.00 . B B . 13 HIS HB2 1 1
8 4245 2 1 14 HIS HB3 H 4.416 5.323 -1.581 1.00 . B B . 13 HIS HB3 1 1
8 4246 2 1 14 HIS HD1 H 5.710 6.615 -3.516 1.00 . B B . 13 HIS HD1 1 1
8 4247 2 1 14 HIS HD2 H 5.674 2.428 -3.847 1.00 . B B . 13 HIS HD2 1 1
8 4248 2 1 14 HIS HE1 H 6.682 6.058 -5.806 1.00 . B B . 13 HIS HE1 1 1
8 4249 2 1 14 HIS N N 6.740 2.944 -1.038 1.00 . B B . 13 HIS N 1 1
8 4250 2 1 14 HIS ND1 N 5.802 5.679 -3.885 1.00 . B B . 13 HIS ND1 1 1
8 4251 2 1 14 HIS NE2 N 6.323 4.018 -5.237 1.00 . B B . 13 HIS NE2 1 1
8 4252 2 1 14 HIS O O 5.414 5.629 0.971 1.00 . B B . 13 HIS O 1 1
8 4253 2 1 15 HIS C C 6.486 2.545 3.619 1.00 . B B . 14 HIS C 1 1
8 4254 2 1 15 HIS CA C 5.661 3.625 2.905 1.00 . B B . 14 HIS CA 1 1
8 4255 2 1 15 HIS CB C 4.267 3.803 3.514 1.00 . B B . 14 HIS CB 1 1
8 4256 2 1 15 HIS CD2 C 2.506 2.236 2.514 1.00 . B B . 14 HIS CD2 1 1
8 4257 2 1 15 HIS CE1 C 2.356 0.748 4.114 1.00 . B B . 14 HIS CE1 1 1
8 4258 2 1 15 HIS CG C 3.404 2.572 3.487 1.00 . B B . 14 HIS CG 1 1
8 4259 2 1 15 HIS H H 5.744 2.506 1.097 1.00 . B B . 14 HIS H 1 1
8 4260 2 1 15 HIS HA H 6.189 4.560 3.078 1.00 . B B . 14 HIS HA 1 1
8 4261 2 1 15 HIS HB2 H 4.381 4.120 4.551 1.00 . B B . 14 HIS HB2 1 1
8 4262 2 1 15 HIS HB3 H 3.748 4.606 2.989 1.00 . B B . 14 HIS HB3 1 1
8 4263 2 1 15 HIS HD1 H 3.822 1.611 5.345 1.00 . B B . 14 HIS HD1 1 1
8 4264 2 1 15 HIS HD2 H 2.314 2.794 1.610 1.00 . B B . 14 HIS HD2 1 1
8 4265 2 1 15 HIS HE1 H 2.041 -0.096 4.708 1.00 . B B . 14 HIS HE1 1 1
8 4266 2 1 15 HIS N N 5.591 3.440 1.457 1.00 . B B . 14 HIS N 1 1
8 4267 2 1 15 HIS ND1 N 3.297 1.630 4.482 1.00 . B B . 14 HIS ND1 1 1
8 4268 2 1 15 HIS NE2 N 1.846 1.073 2.917 1.00 . B B . 14 HIS NE2 1 1
8 4269 2 1 15 HIS O O 6.609 2.616 4.838 1.00 . B B . 14 HIS O 1 1
8 4270 2 1 16 GLN C C 9.482 1.167 3.220 1.00 . B B . 15 GLN C 1 1
8 4271 2 1 16 GLN CA C 8.061 0.644 3.439 1.00 . B B . 15 GLN CA 1 1
8 4272 2 1 16 GLN CB C 7.865 -0.745 2.819 1.00 . B B . 15 GLN CB 1 1
8 4273 2 1 16 GLN CD C 6.322 -2.751 2.757 1.00 . B B . 15 GLN CD 1 1
8 4274 2 1 16 GLN CG C 6.494 -1.308 3.205 1.00 . B B . 15 GLN CG 1 1
8 4275 2 1 16 GLN H H 6.930 1.536 1.907 1.00 . B B . 15 GLN H 1 1
8 4276 2 1 16 GLN HA H 7.905 0.551 4.510 1.00 . B B . 15 GLN HA 1 1
8 4277 2 1 16 GLN HB2 H 7.963 -0.694 1.736 1.00 . B B . 15 GLN HB2 1 1
8 4278 2 1 16 GLN HB3 H 8.629 -1.416 3.204 1.00 . B B . 15 GLN HB3 1 1
8 4279 2 1 16 GLN HE21 H 6.040 -3.379 4.671 1.00 . B B . 15 GLN HE21 1 1
8 4280 2 1 16 GLN HE22 H 5.965 -4.629 3.446 1.00 . B B . 15 GLN HE22 1 1
8 4281 2 1 16 GLN HG2 H 6.413 -1.258 4.288 1.00 . B B . 15 GLN HG2 1 1
8 4282 2 1 16 GLN HG3 H 5.693 -0.710 2.772 1.00 . B B . 15 GLN HG3 1 1
8 4283 2 1 16 GLN N N 7.082 1.581 2.900 1.00 . B B . 15 GLN N 1 1
8 4284 2 1 16 GLN NE2 N 6.078 -3.659 3.700 1.00 . B B . 15 GLN NE2 1 1
8 4285 2 1 16 GLN O O 9.701 2.116 2.474 1.00 . B B . 15 GLN O 1 1
8 4286 2 1 16 GLN OE1 O 6.414 -3.047 1.573 1.00 . B B . 15 GLN OE1 1 1
8 4287 2 1 17 LYS C C 12.644 0.662 2.653 1.00 . B B . 16 LYS C 1 1
8 4288 2 1 17 LYS CA C 11.847 1.020 3.922 1.00 . B B . 16 LYS CA 1 1
8 4289 2 1 17 LYS CB C 12.520 0.484 5.196 1.00 . B B . 16 LYS CB 1 1
8 4290 2 1 17 LYS CD C 12.341 0.292 7.739 1.00 . B B . 16 LYS CD 1 1
8 4291 2 1 17 LYS CE C 13.816 0.620 7.942 1.00 . B B . 16 LYS CE 1 1
8 4292 2 1 17 LYS CG C 11.829 0.988 6.478 1.00 . B B . 16 LYS CG 1 1
8 4293 2 1 17 LYS H H 10.232 -0.241 4.463 1.00 . B B . 16 LYS H 1 1
8 4294 2 1 17 LYS HA H 11.827 2.107 3.993 1.00 . B B . 16 LYS HA 1 1
8 4295 2 1 17 LYS HB2 H 12.509 -0.606 5.173 1.00 . B B . 16 LYS HB2 1 1
8 4296 2 1 17 LYS HB3 H 13.559 0.815 5.210 1.00 . B B . 16 LYS HB3 1 1
8 4297 2 1 17 LYS HD2 H 11.773 0.644 8.600 1.00 . B B . 16 LYS HD2 1 1
8 4298 2 1 17 LYS HD3 H 12.208 -0.787 7.644 1.00 . B B . 16 LYS HD3 1 1
8 4299 2 1 17 LYS HE2 H 14.378 0.327 7.056 1.00 . B B . 16 LYS HE2 1 1
8 4300 2 1 17 LYS HE3 H 13.924 1.692 8.088 1.00 . B B . 16 LYS HE3 1 1
8 4301 2 1 17 LYS HG2 H 11.985 2.062 6.574 1.00 . B B . 16 LYS HG2 1 1
8 4302 2 1 17 LYS HG3 H 10.760 0.811 6.417 1.00 . B B . 16 LYS HG3 1 1
8 4303 2 1 17 LYS HZ1 H 13.896 0.223 9.941 1.00 . B B . 16 LYS HZ1 1 1
8 4304 2 1 17 LYS HZ2 H 14.233 -1.072 8.979 1.00 . B B . 16 LYS HZ2 1 1
8 4305 2 1 17 LYS HZ3 H 15.354 0.112 9.177 1.00 . B B . 16 LYS HZ3 1 1
8 4306 2 1 17 LYS N N 10.464 0.549 3.879 1.00 . B B . 16 LYS N 1 1
8 4307 2 1 17 LYS NZ N 14.365 -0.079 9.101 1.00 . B B . 16 LYS NZ 1 1
8 4308 2 1 17 LYS O O 13.866 0.748 2.649 1.00 . B B . 16 LYS O 1 1
8 4309 2 1 18 NH2 HN1 H 10.989 0.178 1.576 1.00 . B B . 17 NH2 HN1 1 1
8 4310 2 1 18 NH2 HN2 H 12.515 0.001 0.736 1.00 . B B . 17 NH2 HN2 1 1
8 4311 2 1 18 NH2 N N 11.996 0.246 1.566 1.00 . B B . 17 NH2 N 1 1
8 4312 3 2 1 ZN ZN ZN 0.638 -0.113 1.715 1.00 . C A . 101 ZN ZN 1 1
9 4313 1 1 1 ACE C C -11.357 -6.484 0.071 1.00 . A A . 0 ACE C 1 1
9 4314 1 1 1 ACE CH3 C -9.936 -5.960 0.178 1.00 . A A . 0 ACE CH3 1 1
9 4315 1 1 1 ACE H1 H -9.782 -5.186 -0.569 1.00 . A A . 0 ACE H1 1 1
9 4316 1 1 1 ACE H2 H -9.787 -5.528 1.166 1.00 . A A . 0 ACE H2 1 1
9 4317 1 1 1 ACE H3 H -9.224 -6.769 0.016 1.00 . A A . 0 ACE H3 1 1
9 4318 1 1 1 ACE O O -11.557 -7.672 -0.155 1.00 . A A . 0 ACE O 1 1
9 4319 1 1 2 ASP C C -14.598 -4.648 0.074 1.00 . A A . 1 ASP C 1 1
9 4320 1 1 2 ASP CA C -13.761 -5.922 0.196 1.00 . A A . 1 ASP CA 1 1
9 4321 1 1 2 ASP CB C -14.166 -6.748 1.433 1.00 . A A . 1 ASP CB 1 1
9 4322 1 1 2 ASP CG C -15.101 -7.875 1.025 1.00 . A A . 1 ASP CG 1 1
9 4323 1 1 2 ASP H H -12.099 -4.627 0.401 1.00 . A A . 1 ASP H 1 1
9 4324 1 1 2 ASP HA H -13.937 -6.525 -0.695 1.00 . A A . 1 ASP HA 1 1
9 4325 1 1 2 ASP HB2 H -13.288 -7.180 1.915 1.00 . A A . 1 ASP HB2 1 1
9 4326 1 1 2 ASP HB3 H -14.662 -6.111 2.164 1.00 . A A . 1 ASP HB3 1 1
9 4327 1 1 2 ASP N N -12.339 -5.593 0.228 1.00 . A A . 1 ASP N 1 1
9 4328 1 1 2 ASP O O -14.100 -3.568 0.380 1.00 . A A . 1 ASP O 1 1
9 4329 1 1 2 ASP OD1 O -16.212 -7.557 0.569 1.00 . A A . 1 ASP OD1 1 1
9 4330 1 1 2 ASP OD2 O -14.690 -9.048 1.125 1.00 . A A . 1 ASP OD2 1 1
9 4331 1 1 3 ALA C C -16.893 -2.661 0.456 1.00 . A A . 2 ALA C 1 1
9 4332 1 1 3 ALA CA C -16.752 -3.669 -0.684 1.00 . A A . 2 ALA CA 1 1
9 4333 1 1 3 ALA CB C -18.134 -4.219 -1.056 1.00 . A A . 2 ALA CB 1 1
9 4334 1 1 3 ALA H H -16.206 -5.709 -0.557 1.00 . A A . 2 ALA H 1 1
9 4335 1 1 3 ALA HA H -16.339 -3.153 -1.547 1.00 . A A . 2 ALA HA 1 1
9 4336 1 1 3 ALA HB1 H -18.541 -4.808 -0.235 1.00 . A A . 2 ALA HB1 1 1
9 4337 1 1 3 ALA HB2 H -18.807 -3.386 -1.254 1.00 . A A . 2 ALA HB2 1 1
9 4338 1 1 3 ALA HB3 H -18.069 -4.841 -1.945 1.00 . A A . 2 ALA HB3 1 1
9 4339 1 1 3 ALA N N -15.860 -4.780 -0.361 1.00 . A A . 2 ALA N 1 1
9 4340 1 1 3 ALA O O -16.795 -1.462 0.220 1.00 . A A . 2 ALA O 1 1
9 4341 1 1 4 GLU C C -15.944 -1.559 3.236 1.00 . A A . 3 GLU C 1 1
9 4342 1 1 4 GLU CA C -17.206 -2.353 2.902 1.00 . A A . 3 GLU CA 1 1
9 4343 1 1 4 GLU CB C -17.558 -3.284 4.066 1.00 . A A . 3 GLU CB 1 1
9 4344 1 1 4 GLU CD C -16.848 -5.372 5.266 1.00 . A A . 3 GLU CD 1 1
9 4345 1 1 4 GLU CG C -16.388 -4.220 4.398 1.00 . A A . 3 GLU CG 1 1
9 4346 1 1 4 GLU H H -17.145 -4.153 1.791 1.00 . A A . 3 GLU H 1 1
9 4347 1 1 4 GLU HA H -18.021 -1.645 2.772 1.00 . A A . 3 GLU HA 1 1
9 4348 1 1 4 GLU HB2 H -17.797 -2.690 4.947 1.00 . A A . 3 GLU HB2 1 1
9 4349 1 1 4 GLU HB3 H -18.437 -3.868 3.798 1.00 . A A . 3 GLU HB3 1 1
9 4350 1 1 4 GLU HG2 H -15.970 -4.636 3.480 1.00 . A A . 3 GLU HG2 1 1
9 4351 1 1 4 GLU HG3 H -15.611 -3.658 4.906 1.00 . A A . 3 GLU HG3 1 1
9 4352 1 1 4 GLU N N -17.081 -3.151 1.686 1.00 . A A . 3 GLU N 1 1
9 4353 1 1 4 GLU O O -16.032 -0.632 4.030 1.00 . A A . 3 GLU O 1 1
9 4354 1 1 4 GLU OE1 O -17.399 -6.317 4.721 1.00 . A A . 3 GLU OE1 1 1
9 4355 1 1 4 GLU OE2 O -16.624 -5.278 6.511 1.00 . A A . 3 GLU OE2 1 1
9 4356 1 1 5 PHE C C -13.206 -0.355 1.580 1.00 . A A . 4 PHE C 1 1
9 4357 1 1 5 PHE CA C -13.533 -1.205 2.798 1.00 . A A . 4 PHE CA 1 1
9 4358 1 1 5 PHE CB C -12.397 -2.195 3.050 1.00 . A A . 4 PHE CB 1 1
9 4359 1 1 5 PHE CD1 C -13.015 -2.778 5.440 1.00 . A A . 4 PHE CD1 1 1
9 4360 1 1 5 PHE CD2 C -12.661 -4.566 3.831 1.00 . A A . 4 PHE CD2 1 1
9 4361 1 1 5 PHE CE1 C -13.286 -3.727 6.439 1.00 . A A . 4 PHE CE1 1 1
9 4362 1 1 5 PHE CE2 C -12.941 -5.516 4.821 1.00 . A A . 4 PHE CE2 1 1
9 4363 1 1 5 PHE CG C -12.682 -3.200 4.140 1.00 . A A . 4 PHE CG 1 1
9 4364 1 1 5 PHE CZ C -13.240 -5.095 6.127 1.00 . A A . 4 PHE CZ 1 1
9 4365 1 1 5 PHE H H -14.794 -2.734 2.064 1.00 . A A . 4 PHE H 1 1
9 4366 1 1 5 PHE HA H -13.595 -0.536 3.649 1.00 . A A . 4 PHE HA 1 1
9 4367 1 1 5 PHE HB2 H -12.189 -2.725 2.121 1.00 . A A . 4 PHE HB2 1 1
9 4368 1 1 5 PHE HB3 H -11.499 -1.639 3.322 1.00 . A A . 4 PHE HB3 1 1
9 4369 1 1 5 PHE HD1 H -13.082 -1.726 5.662 1.00 . A A . 4 PHE HD1 1 1
9 4370 1 1 5 PHE HD2 H -12.446 -4.879 2.824 1.00 . A A . 4 PHE HD2 1 1
9 4371 1 1 5 PHE HE1 H -13.541 -3.406 7.438 1.00 . A A . 4 PHE HE1 1 1
9 4372 1 1 5 PHE HE2 H -12.934 -6.566 4.573 1.00 . A A . 4 PHE HE2 1 1
9 4373 1 1 5 PHE HZ H -13.454 -5.825 6.887 1.00 . A A . 4 PHE HZ 1 1
9 4374 1 1 5 PHE N N -14.794 -1.917 2.657 1.00 . A A . 4 PHE N 1 1
9 4375 1 1 5 PHE O O -12.410 0.562 1.730 1.00 . A A . 4 PHE O 1 1
9 4376 1 1 6 ARG C C -14.377 1.586 -0.661 1.00 . A A . 5 ARG C 1 1
9 4377 1 1 6 ARG CA C -13.664 0.228 -0.788 1.00 . A A . 5 ARG CA 1 1
9 4378 1 1 6 ARG CB C -14.129 -0.541 -2.036 1.00 . A A . 5 ARG CB 1 1
9 4379 1 1 6 ARG CD C -11.858 -1.763 -2.180 1.00 . A A . 5 ARG CD 1 1
9 4380 1 1 6 ARG CG C -13.372 -1.827 -2.407 1.00 . A A . 5 ARG CG 1 1
9 4381 1 1 6 ARG CZ C -10.041 -0.587 -3.453 1.00 . A A . 5 ARG CZ 1 1
9 4382 1 1 6 ARG H H -14.472 -1.368 0.354 1.00 . A A . 5 ARG H 1 1
9 4383 1 1 6 ARG HA H -12.604 0.447 -0.891 1.00 . A A . 5 ARG HA 1 1
9 4384 1 1 6 ARG HB2 H -15.180 -0.783 -1.902 1.00 . A A . 5 ARG HB2 1 1
9 4385 1 1 6 ARG HB3 H -14.035 0.128 -2.889 1.00 . A A . 5 ARG HB3 1 1
9 4386 1 1 6 ARG HD2 H -11.662 -1.646 -1.116 1.00 . A A . 5 ARG HD2 1 1
9 4387 1 1 6 ARG HD3 H -11.409 -2.698 -2.501 1.00 . A A . 5 ARG HD3 1 1
9 4388 1 1 6 ARG HE H -11.823 0.201 -2.964 1.00 . A A . 5 ARG HE 1 1
9 4389 1 1 6 ARG HG2 H -13.774 -2.658 -1.840 1.00 . A A . 5 ARG HG2 1 1
9 4390 1 1 6 ARG HG3 H -13.562 -2.040 -3.459 1.00 . A A . 5 ARG HG3 1 1
9 4391 1 1 6 ARG HH11 H -9.508 -2.506 -3.024 1.00 . A A . 5 ARG HH11 1 1
9 4392 1 1 6 ARG HH12 H -8.309 -1.569 -3.879 1.00 . A A . 5 ARG HH12 1 1
9 4393 1 1 6 ARG HH21 H -10.244 1.347 -4.048 1.00 . A A . 5 ARG HH21 1 1
9 4394 1 1 6 ARG HH22 H -8.713 0.593 -4.436 1.00 . A A . 5 ARG HH22 1 1
9 4395 1 1 6 ARG N N -13.827 -0.593 0.413 1.00 . A A . 5 ARG N 1 1
9 4396 1 1 6 ARG NE N -11.260 -0.636 -2.905 1.00 . A A . 5 ARG NE 1 1
9 4397 1 1 6 ARG NH1 N -9.218 -1.634 -3.442 1.00 . A A . 5 ARG NH1 1 1
9 4398 1 1 6 ARG NH2 N -9.636 0.541 -4.030 1.00 . A A . 5 ARG NH2 1 1
9 4399 1 1 6 ARG O O -14.964 2.096 -1.613 1.00 . A A . 5 ARG O 1 1
9 4400 1 1 7 ARG C C -13.984 4.567 0.552 1.00 . A A . 6 ARG C 1 1
9 4401 1 1 7 ARG CA C -14.912 3.418 0.929 1.00 . A A . 6 ARG CA 1 1
9 4402 1 1 7 ARG CB C -15.169 3.422 2.442 1.00 . A A . 6 ARG CB 1 1
9 4403 1 1 7 ARG CD C -17.342 2.011 2.376 1.00 . A A . 6 ARG CD 1 1
9 4404 1 1 7 ARG CG C -15.942 2.206 2.964 1.00 . A A . 6 ARG CG 1 1
9 4405 1 1 7 ARG CZ C -17.931 1.696 -0.040 1.00 . A A . 6 ARG CZ 1 1
9 4406 1 1 7 ARG H H -13.863 1.662 1.280 1.00 . A A . 6 ARG H 1 1
9 4407 1 1 7 ARG HA H -15.862 3.535 0.418 1.00 . A A . 6 ARG HA 1 1
9 4408 1 1 7 ARG HB2 H -14.209 3.442 2.958 1.00 . A A . 6 ARG HB2 1 1
9 4409 1 1 7 ARG HB3 H -15.722 4.324 2.699 1.00 . A A . 6 ARG HB3 1 1
9 4410 1 1 7 ARG HD2 H -17.918 1.400 3.070 1.00 . A A . 6 ARG HD2 1 1
9 4411 1 1 7 ARG HD3 H -17.820 2.983 2.281 1.00 . A A . 6 ARG HD3 1 1
9 4412 1 1 7 ARG HE H -16.833 0.421 1.075 1.00 . A A . 6 ARG HE 1 1
9 4413 1 1 7 ARG HG2 H -15.342 1.322 2.773 1.00 . A A . 6 ARG HG2 1 1
9 4414 1 1 7 ARG HG3 H -16.048 2.314 4.043 1.00 . A A . 6 ARG HG3 1 1
9 4415 1 1 7 ARG HH11 H -18.779 3.396 0.705 1.00 . A A . 6 ARG HH11 1 1
9 4416 1 1 7 ARG HH12 H -19.121 3.061 -0.974 1.00 . A A . 6 ARG HH12 1 1
9 4417 1 1 7 ARG HH21 H -17.288 0.076 -1.087 1.00 . A A . 6 ARG HH21 1 1
9 4418 1 1 7 ARG HH22 H -18.279 1.205 -1.983 1.00 . A A . 6 ARG HH22 1 1
9 4419 1 1 7 ARG N N -14.338 2.157 0.543 1.00 . A A . 6 ARG N 1 1
9 4420 1 1 7 ARG NE N -17.326 1.304 1.091 1.00 . A A . 6 ARG NE 1 1
9 4421 1 1 7 ARG NH1 N -18.661 2.813 -0.111 1.00 . A A . 6 ARG NH1 1 1
9 4422 1 1 7 ARG NH2 N -17.806 0.942 -1.131 1.00 . A A . 6 ARG NH2 1 1
9 4423 1 1 7 ARG O O -12.803 4.391 0.245 1.00 . A A . 6 ARG O 1 1
9 4424 1 1 8 ASP C C -13.021 7.457 1.560 1.00 . A A . 7 ASP C 1 1
9 4425 1 1 8 ASP CA C -13.903 7.023 0.387 1.00 . A A . 7 ASP CA 1 1
9 4426 1 1 8 ASP CB C -15.021 8.042 0.173 1.00 . A A . 7 ASP CB 1 1
9 4427 1 1 8 ASP CG C -14.461 9.429 -0.052 1.00 . A A . 7 ASP CG 1 1
9 4428 1 1 8 ASP H H -15.532 5.804 0.894 1.00 . A A . 7 ASP H 1 1
9 4429 1 1 8 ASP HA H -13.296 6.951 -0.516 1.00 . A A . 7 ASP HA 1 1
9 4430 1 1 8 ASP HB2 H -15.645 7.747 -0.663 1.00 . A A . 7 ASP HB2 1 1
9 4431 1 1 8 ASP HB3 H -15.649 8.078 1.073 1.00 . A A . 7 ASP HB3 1 1
9 4432 1 1 8 ASP N N -14.556 5.761 0.635 1.00 . A A . 7 ASP N 1 1
9 4433 1 1 8 ASP O O -12.003 8.103 1.346 1.00 . A A . 7 ASP O 1 1
9 4434 1 1 8 ASP OD1 O -13.945 9.631 -1.224 1.00 . A A . 7 ASP OD1 1 1
9 4435 1 1 8 ASP OD2 O -14.488 10.229 0.837 1.00 . A A . 7 ASP OD2 1 1
9 4436 1 1 9 SER C C -11.579 7.349 4.489 1.00 . A A . 8 SER C 1 1
9 4437 1 1 9 SER CA C -12.945 7.831 3.985 1.00 . A A . 8 SER CA 1 1
9 4438 1 1 9 SER CB C -13.989 7.710 5.098 1.00 . A A . 8 SER CB 1 1
9 4439 1 1 9 SER H H -14.264 6.596 2.907 1.00 . A A . 8 SER H 1 1
9 4440 1 1 9 SER HA H -12.850 8.886 3.733 1.00 . A A . 8 SER HA 1 1
9 4441 1 1 9 SER HB2 H -13.979 6.689 5.474 1.00 . A A . 8 SER HB2 1 1
9 4442 1 1 9 SER HB3 H -13.728 8.394 5.904 1.00 . A A . 8 SER HB3 1 1
9 4443 1 1 9 SER HG H -15.303 8.909 4.309 1.00 . A A . 8 SER HG 1 1
9 4444 1 1 9 SER N N -13.426 7.143 2.795 1.00 . A A . 8 SER N 1 1
9 4445 1 1 9 SER O O -11.198 7.718 5.595 1.00 . A A . 8 SER O 1 1
9 4446 1 1 9 SER OG O -15.292 8.009 4.650 1.00 . A A . 8 SER OG 1 1
9 4447 1 1 10 GLY C C -8.638 6.731 2.877 1.00 . A A . 9 GLY C 1 1
9 4448 1 1 10 GLY CA C -9.472 6.175 4.025 1.00 . A A . 9 GLY CA 1 1
9 4449 1 1 10 GLY H H -11.147 6.308 2.789 1.00 . A A . 9 GLY H 1 1
9 4450 1 1 10 GLY HA2 H -9.131 6.604 4.966 1.00 . A A . 9 GLY HA2 1 1
9 4451 1 1 10 GLY HA3 H -9.399 5.094 4.090 1.00 . A A . 9 GLY HA3 1 1
9 4452 1 1 10 GLY N N -10.843 6.531 3.728 1.00 . A A . 9 GLY N 1 1
9 4453 1 1 10 GLY O O -8.711 7.926 2.616 1.00 . A A . 9 GLY O 1 1
9 4454 1 1 11 TYR C C -6.514 4.026 1.448 1.00 . A A . 10 TYR C 1 1
9 4455 1 1 11 TYR CA C -7.703 4.502 2.269 1.00 . A A . 10 TYR CA 1 1
9 4456 1 1 11 TYR CB C -8.965 3.774 1.784 1.00 . A A . 10 TYR CB 1 1
9 4457 1 1 11 TYR CD1 C -8.798 1.905 3.489 1.00 . A A . 10 TYR CD1 1 1
9 4458 1 1 11 TYR CD2 C -10.950 2.977 3.106 1.00 . A A . 10 TYR CD2 1 1
9 4459 1 1 11 TYR CE1 C -9.383 1.017 4.397 1.00 . A A . 10 TYR CE1 1 1
9 4460 1 1 11 TYR CE2 C -11.543 2.099 4.023 1.00 . A A . 10 TYR CE2 1 1
9 4461 1 1 11 TYR CG C -9.581 2.863 2.818 1.00 . A A . 10 TYR CG 1 1
9 4462 1 1 11 TYR CZ C -10.770 1.088 4.634 1.00 . A A . 10 TYR CZ 1 1
9 4463 1 1 11 TYR H H -7.485 6.304 1.298 1.00 . A A . 10 TYR H 1 1
9 4464 1 1 11 TYR HA H -7.515 4.268 3.315 1.00 . A A . 10 TYR HA 1 1
9 4465 1 1 11 TYR HB2 H -9.715 4.495 1.463 1.00 . A A . 10 TYR HB2 1 1
9 4466 1 1 11 TYR HB3 H -8.726 3.187 0.900 1.00 . A A . 10 TYR HB3 1 1
9 4467 1 1 11 TYR HD1 H -7.748 1.819 3.285 1.00 . A A . 10 TYR HD1 1 1
9 4468 1 1 11 TYR HD2 H -11.547 3.733 2.618 1.00 . A A . 10 TYR HD2 1 1
9 4469 1 1 11 TYR HE1 H -8.774 0.279 4.898 1.00 . A A . 10 TYR HE1 1 1
9 4470 1 1 11 TYR HE2 H -12.594 2.188 4.236 1.00 . A A . 10 TYR HE2 1 1
9 4471 1 1 11 TYR HH H -12.294 0.356 5.593 1.00 . A A . 10 TYR HH 1 1
9 4472 1 1 11 TYR N N -7.869 5.927 2.142 1.00 . A A . 10 TYR N 1 1
9 4473 1 1 11 TYR O O -6.196 4.560 0.387 1.00 . A A . 10 TYR O 1 1
9 4474 1 1 11 TYR OH O -11.353 0.198 5.478 1.00 . A A . 10 TYR OH 1 1
9 4475 1 1 12 GLU C C -5.578 0.592 1.608 1.00 . A A . 11 GLU C 1 1
9 4476 1 1 12 GLU CA C -5.187 1.997 1.137 1.00 . A A . 11 GLU CA 1 1
9 4477 1 1 12 GLU CB C -3.704 2.314 1.286 1.00 . A A . 11 GLU CB 1 1
9 4478 1 1 12 GLU CD C -1.515 1.391 0.540 1.00 . A A . 11 GLU CD 1 1
9 4479 1 1 12 GLU CG C -2.947 1.649 0.141 1.00 . A A . 11 GLU CG 1 1
9 4480 1 1 12 GLU H H -6.204 2.608 2.846 1.00 . A A . 11 GLU H 1 1
9 4481 1 1 12 GLU HA H -5.479 2.125 0.096 1.00 . A A . 11 GLU HA 1 1
9 4482 1 1 12 GLU HB2 H -3.549 3.388 1.220 1.00 . A A . 11 GLU HB2 1 1
9 4483 1 1 12 GLU HB3 H -3.348 1.966 2.257 1.00 . A A . 11 GLU HB3 1 1
9 4484 1 1 12 GLU HG2 H -3.424 0.705 -0.111 1.00 . A A . 11 GLU HG2 1 1
9 4485 1 1 12 GLU HG3 H -2.964 2.301 -0.733 1.00 . A A . 11 GLU HG3 1 1
9 4486 1 1 12 GLU N N -5.945 2.924 1.924 1.00 . A A . 11 GLU N 1 1
9 4487 1 1 12 GLU O O -4.851 -0.066 2.353 1.00 . A A . 11 GLU O 1 1
9 4488 1 1 12 GLU OE1 O -0.810 2.298 0.932 1.00 . A A . 11 GLU OE1 1 1
9 4489 1 1 12 GLU OE2 O -1.154 0.173 0.456 1.00 . A A . 11 GLU OE2 1 1
9 4490 1 1 13 VAL C C -6.592 -2.275 1.443 1.00 . A A . 12 VAL C 1 1
9 4491 1 1 13 VAL CA C -7.481 -1.046 1.567 1.00 . A A . 12 VAL CA 1 1
9 4492 1 1 13 VAL CB C -8.724 -1.236 0.673 1.00 . A A . 12 VAL CB 1 1
9 4493 1 1 13 VAL CG1 C -9.441 -2.571 0.933 1.00 . A A . 12 VAL CG1 1 1
9 4494 1 1 13 VAL CG2 C -9.723 -0.111 0.920 1.00 . A A . 12 VAL CG2 1 1
9 4495 1 1 13 VAL H H -7.290 0.788 0.565 1.00 . A A . 12 VAL H 1 1
9 4496 1 1 13 VAL HA H -7.804 -0.934 2.598 1.00 . A A . 12 VAL HA 1 1
9 4497 1 1 13 VAL HB H -8.423 -1.216 -0.374 1.00 . A A . 12 VAL HB 1 1
9 4498 1 1 13 VAL HG11 H -8.818 -3.391 0.584 1.00 . A A . 12 VAL HG11 1 1
9 4499 1 1 13 VAL HG12 H -9.637 -2.693 1.998 1.00 . A A . 12 VAL HG12 1 1
9 4500 1 1 13 VAL HG13 H -10.383 -2.613 0.389 1.00 . A A . 12 VAL HG13 1 1
9 4501 1 1 13 VAL HG21 H -9.267 0.861 0.748 1.00 . A A . 12 VAL HG21 1 1
9 4502 1 1 13 VAL HG22 H -10.555 -0.218 0.228 1.00 . A A . 12 VAL HG22 1 1
9 4503 1 1 13 VAL HG23 H -10.065 -0.172 1.949 1.00 . A A . 12 VAL HG23 1 1
9 4504 1 1 13 VAL N N -6.779 0.175 1.182 1.00 . A A . 12 VAL N 1 1
9 4505 1 1 13 VAL O O -6.722 -3.194 2.243 1.00 . A A . 12 VAL O 1 1
9 4506 1 1 14 HIS C C -3.995 -3.933 1.227 1.00 . A A . 13 HIS C 1 1
9 4507 1 1 14 HIS CA C -4.897 -3.435 0.096 1.00 . A A . 13 HIS CA 1 1
9 4508 1 1 14 HIS CB C -4.062 -3.116 -1.145 1.00 . A A . 13 HIS CB 1 1
9 4509 1 1 14 HIS CD2 C -5.798 -2.019 -2.699 1.00 . A A . 13 HIS CD2 1 1
9 4510 1 1 14 HIS CE1 C -5.763 -3.447 -4.356 1.00 . A A . 13 HIS CE1 1 1
9 4511 1 1 14 HIS CG C -4.886 -2.993 -2.398 1.00 . A A . 13 HIS CG 1 1
9 4512 1 1 14 HIS H H -5.636 -1.474 -0.152 1.00 . A A . 13 HIS H 1 1
9 4513 1 1 14 HIS HA H -5.599 -4.234 -0.142 1.00 . A A . 13 HIS HA 1 1
9 4514 1 1 14 HIS HB2 H -3.505 -2.198 -0.973 1.00 . A A . 13 HIS HB2 1 1
9 4515 1 1 14 HIS HB3 H -3.344 -3.920 -1.298 1.00 . A A . 13 HIS HB3 1 1
9 4516 1 1 14 HIS HD1 H -4.316 -4.715 -3.518 1.00 . A A . 13 HIS HD1 1 1
9 4517 1 1 14 HIS HD2 H -6.060 -1.176 -2.077 1.00 . A A . 13 HIS HD2 1 1
9 4518 1 1 14 HIS HE1 H -5.972 -3.947 -5.289 1.00 . A A . 13 HIS HE1 1 1
9 4519 1 1 14 HIS N N -5.698 -2.282 0.450 1.00 . A A . 13 HIS N 1 1
9 4520 1 1 14 HIS ND1 N -4.876 -3.878 -3.449 1.00 . A A . 13 HIS ND1 1 1
9 4521 1 1 14 HIS NE2 N -6.346 -2.311 -3.950 1.00 . A A . 13 HIS NE2 1 1
9 4522 1 1 14 HIS O O -3.474 -5.032 1.092 1.00 . A A . 13 HIS O 1 1
9 4523 1 1 15 HIS C C -3.831 -3.031 4.845 1.00 . A A . 14 HIS C 1 1
9 4524 1 1 15 HIS CA C -3.328 -3.749 3.585 1.00 . A A . 14 HIS CA 1 1
9 4525 1 1 15 HIS CB C -1.797 -3.800 3.534 1.00 . A A . 14 HIS CB 1 1
9 4526 1 1 15 HIS CD2 C -0.647 -1.765 2.517 1.00 . A A . 14 HIS CD2 1 1
9 4527 1 1 15 HIS CE1 C -0.252 -0.578 4.306 1.00 . A A . 14 HIS CE1 1 1
9 4528 1 1 15 HIS CG C -1.123 -2.459 3.588 1.00 . A A . 14 HIS CG 1 1
9 4529 1 1 15 HIS H H -4.276 -2.279 2.374 1.00 . A A . 14 HIS H 1 1
9 4530 1 1 15 HIS HA H -3.686 -4.777 3.661 1.00 . A A . 14 HIS HA 1 1
9 4531 1 1 15 HIS HB2 H -1.431 -4.417 4.351 1.00 . A A . 14 HIS HB2 1 1
9 4532 1 1 15 HIS HB3 H -1.497 -4.283 2.611 1.00 . A A . 14 HIS HB3 1 1
9 4533 1 1 15 HIS HD1 H -1.090 -1.952 5.659 1.00 . A A . 14 HIS HD1 1 1
9 4534 1 1 15 HIS HD2 H -0.696 -2.091 1.490 1.00 . A A . 14 HIS HD2 1 1
9 4535 1 1 15 HIS HE1 H 0.102 0.198 4.965 1.00 . A A . 14 HIS HE1 1 1
9 4536 1 1 15 HIS N N -3.853 -3.198 2.341 1.00 . A A . 14 HIS N 1 1
9 4537 1 1 15 HIS ND1 N -0.854 -1.709 4.706 1.00 . A A . 14 HIS ND1 1 1
9 4538 1 1 15 HIS NE2 N -0.093 -0.568 2.975 1.00 . A A . 14 HIS NE2 1 1
9 4539 1 1 15 HIS O O -3.365 -3.365 5.928 1.00 . A A . 14 HIS O 1 1
9 4540 1 1 16 GLN C C -6.484 -2.148 6.531 1.00 . A A . 15 GLN C 1 1
9 4541 1 1 16 GLN CA C -5.306 -1.393 5.916 1.00 . A A . 15 GLN CA 1 1
9 4542 1 1 16 GLN CB C -5.694 0.041 5.567 1.00 . A A . 15 GLN CB 1 1
9 4543 1 1 16 GLN CD C -4.758 2.365 5.100 1.00 . A A . 15 GLN CD 1 1
9 4544 1 1 16 GLN CG C -4.444 0.936 5.526 1.00 . A A . 15 GLN CG 1 1
9 4545 1 1 16 GLN H H -5.091 -1.771 3.844 1.00 . A A . 15 GLN H 1 1
9 4546 1 1 16 GLN HA H -4.535 -1.340 6.678 1.00 . A A . 15 GLN HA 1 1
9 4547 1 1 16 GLN HB2 H -6.221 0.060 4.612 1.00 . A A . 15 GLN HB2 1 1
9 4548 1 1 16 GLN HB3 H -6.364 0.419 6.336 1.00 . A A . 15 GLN HB3 1 1
9 4549 1 1 16 GLN HE21 H -2.823 2.942 5.326 1.00 . A A . 15 GLN HE21 1 1
9 4550 1 1 16 GLN HE22 H -3.924 4.183 4.765 1.00 . A A . 15 GLN HE22 1 1
9 4551 1 1 16 GLN HG2 H -4.002 0.966 6.522 1.00 . A A . 15 GLN HG2 1 1
9 4552 1 1 16 GLN HG3 H -3.709 0.519 4.837 1.00 . A A . 15 GLN HG3 1 1
9 4553 1 1 16 GLN N N -4.756 -2.066 4.746 1.00 . A A . 15 GLN N 1 1
9 4554 1 1 16 GLN NE2 N -3.754 3.235 5.066 1.00 . A A . 15 GLN NE2 1 1
9 4555 1 1 16 GLN O O -6.576 -2.153 7.754 1.00 . A A . 15 GLN O 1 1
9 4556 1 1 16 GLN OE1 O -5.897 2.690 4.798 1.00 . A A . 15 GLN OE1 1 1
9 4557 1 1 17 LYS C C -8.816 -4.764 5.199 1.00 . A A . 16 LYS C 1 1
9 4558 1 1 17 LYS CA C -8.419 -3.678 6.211 1.00 . A A . 16 LYS CA 1 1
9 4559 1 1 17 LYS CB C -9.685 -2.873 6.546 1.00 . A A . 16 LYS CB 1 1
9 4560 1 1 17 LYS CD C -10.949 -1.666 8.351 1.00 . A A . 16 LYS CD 1 1
9 4561 1 1 17 LYS CE C -10.814 -0.683 9.506 1.00 . A A . 16 LYS CE 1 1
9 4562 1 1 17 LYS CG C -9.565 -1.984 7.789 1.00 . A A . 16 LYS CG 1 1
9 4563 1 1 17 LYS H H -7.205 -2.741 4.731 1.00 . A A . 16 LYS H 1 1
9 4564 1 1 17 LYS HA H -8.080 -4.187 7.115 1.00 . A A . 16 LYS HA 1 1
9 4565 1 1 17 LYS HB2 H -9.972 -2.264 5.688 1.00 . A A . 16 LYS HB2 1 1
9 4566 1 1 17 LYS HB3 H -10.485 -3.591 6.731 1.00 . A A . 16 LYS HB3 1 1
9 4567 1 1 17 LYS HD2 H -11.584 -1.234 7.581 1.00 . A A . 16 LYS HD2 1 1
9 4568 1 1 17 LYS HD3 H -11.410 -2.589 8.707 1.00 . A A . 16 LYS HD3 1 1
9 4569 1 1 17 LYS HE2 H -10.091 -1.065 10.224 1.00 . A A . 16 LYS HE2 1 1
9 4570 1 1 17 LYS HE3 H -10.468 0.278 9.128 1.00 . A A . 16 LYS HE3 1 1
9 4571 1 1 17 LYS HG2 H -9.003 -2.508 8.563 1.00 . A A . 16 LYS HG2 1 1
9 4572 1 1 17 LYS HG3 H -9.051 -1.059 7.528 1.00 . A A . 16 LYS HG3 1 1
9 4573 1 1 17 LYS HZ1 H -12.028 0.167 10.917 1.00 . A A . 16 LYS HZ1 1 1
9 4574 1 1 17 LYS HZ2 H -12.797 -0.206 9.508 1.00 . A A . 16 LYS HZ2 1 1
9 4575 1 1 17 LYS HZ3 H -12.401 -1.399 10.566 1.00 . A A . 16 LYS HZ3 1 1
9 4576 1 1 17 LYS N N -7.338 -2.806 5.729 1.00 . A A . 16 LYS N 1 1
9 4577 1 1 17 LYS NZ N -12.105 -0.515 10.177 1.00 . A A . 16 LYS NZ 1 1
9 4578 1 1 17 LYS O O -9.459 -5.742 5.565 1.00 . A A . 16 LYS O 1 1
9 4579 1 1 18 NH2 HN1 H -8.698 -5.349 3.262 1.00 . A A . 17 NH2 HN1 1 1
9 4580 1 1 18 NH2 HN2 H -7.925 -3.823 3.637 1.00 . A A . 17 NH2 HN2 1 1
9 4581 1 1 18 NH2 N N -8.461 -4.626 3.926 1.00 . A A . 17 NH2 N 1 1
9 4582 2 1 1 ACE C C 16.253 4.295 -2.356 1.00 . B B . 0 ACE C 1 1
9 4583 2 1 1 ACE CH3 C 16.865 5.263 -3.367 1.00 . B B . 0 ACE CH3 1 1
9 4584 2 1 1 ACE H1 H 17.214 4.717 -4.241 1.00 . B B . 0 ACE H1 1 1
9 4585 2 1 1 ACE H2 H 16.117 5.991 -3.675 1.00 . B B . 0 ACE H2 1 1
9 4586 2 1 1 ACE H3 H 17.708 5.783 -2.916 1.00 . B B . 0 ACE H3 1 1
9 4587 2 1 1 ACE O O 15.078 4.422 -2.038 1.00 . B B . 0 ACE O 1 1
9 4588 2 1 2 ASP C C 18.735 1.601 -1.890 1.00 . B B . 1 ASP C 1 1
9 4589 2 1 2 ASP CA C 18.413 3.089 -2.066 1.00 . B B . 1 ASP CA 1 1
9 4590 2 1 2 ASP CB C 19.268 3.979 -1.152 1.00 . B B . 1 ASP CB 1 1
9 4591 2 1 2 ASP CG C 20.533 4.468 -1.848 1.00 . B B . 1 ASP CG 1 1
9 4592 2 1 2 ASP H H 16.568 2.723 -1.132 1.00 . B B . 1 ASP H 1 1
9 4593 2 1 2 ASP HA H 18.615 3.361 -3.098 1.00 . B B . 1 ASP HA 1 1
9 4594 2 1 2 ASP HB2 H 18.691 4.859 -0.873 1.00 . B B . 1 ASP HB2 1 1
9 4595 2 1 2 ASP HB3 H 19.531 3.442 -0.239 1.00 . B B . 1 ASP HB3 1 1
9 4596 2 1 2 ASP N N 17.003 3.330 -1.812 1.00 . B B . 1 ASP N 1 1
9 4597 2 1 2 ASP O O 18.118 0.930 -1.064 1.00 . B B . 1 ASP O 1 1
9 4598 2 1 2 ASP OD1 O 21.205 3.638 -2.494 1.00 . B B . 1 ASP OD1 1 1
9 4599 2 1 2 ASP OD2 O 20.815 5.675 -1.750 1.00 . B B . 1 ASP OD2 1 1
9 4600 2 1 3 ALA C C 19.926 -1.206 -1.750 1.00 . B B . 2 ALA C 1 1
9 4601 2 1 3 ALA CA C 20.081 -0.268 -2.940 1.00 . B B . 2 ALA CA 1 1
9 4602 2 1 3 ALA CB C 21.537 -0.292 -3.409 1.00 . B B . 2 ALA CB 1 1
9 4603 2 1 3 ALA H H 20.162 1.799 -3.281 1.00 . B B . 2 ALA H 1 1
9 4604 2 1 3 ALA HA H 19.463 -0.650 -3.748 1.00 . B B . 2 ALA HA 1 1
9 4605 2 1 3 ALA HB1 H 21.826 -1.319 -3.626 1.00 . B B . 2 ALA HB1 1 1
9 4606 2 1 3 ALA HB2 H 21.647 0.314 -4.304 1.00 . B B . 2 ALA HB2 1 1
9 4607 2 1 3 ALA HB3 H 22.190 0.096 -2.628 1.00 . B B . 2 ALA HB3 1 1
9 4608 2 1 3 ALA N N 19.705 1.123 -2.684 1.00 . B B . 2 ALA N 1 1
9 4609 2 1 3 ALA O O 19.266 -2.235 -1.873 1.00 . B B . 2 ALA O 1 1
9 4610 2 1 4 GLU C C 19.300 -2.210 1.052 1.00 . B B . 3 GLU C 1 1
9 4611 2 1 4 GLU CA C 20.632 -1.622 0.600 1.00 . B B . 3 GLU CA 1 1
9 4612 2 1 4 GLU CB C 21.301 -0.773 1.690 1.00 . B B . 3 GLU CB 1 1
9 4613 2 1 4 GLU CD C 21.197 1.590 2.638 1.00 . B B . 3 GLU CD 1 1
9 4614 2 1 4 GLU CG C 20.412 0.396 2.133 1.00 . B B . 3 GLU CG 1 1
9 4615 2 1 4 GLU H H 21.014 0.053 -0.619 1.00 . B B . 3 GLU H 1 1
9 4616 2 1 4 GLU HA H 21.284 -2.455 0.386 1.00 . B B . 3 GLU HA 1 1
9 4617 2 1 4 GLU HB2 H 21.521 -1.402 2.553 1.00 . B B . 3 GLU HB2 1 1
9 4618 2 1 4 GLU HB3 H 22.246 -0.393 1.298 1.00 . B B . 3 GLU HB3 1 1
9 4619 2 1 4 GLU HG2 H 19.818 0.746 1.287 1.00 . B B . 3 GLU HG2 1 1
9 4620 2 1 4 GLU HG3 H 19.739 0.049 2.915 1.00 . B B . 3 GLU HG3 1 1
9 4621 2 1 4 GLU N N 20.528 -0.832 -0.617 1.00 . B B . 3 GLU N 1 1
9 4622 2 1 4 GLU O O 19.267 -3.391 1.372 1.00 . B B . 3 GLU O 1 1
9 4623 2 1 4 GLU OE1 O 21.924 1.425 3.647 1.00 . B B . 3 GLU OE1 1 1
9 4624 2 1 4 GLU OE2 O 21.066 2.655 2.027 1.00 . B B . 3 GLU OE2 1 1
9 4625 2 1 5 PHE C C 16.002 -2.035 0.087 1.00 . B B . 4 PHE C 1 1
9 4626 2 1 5 PHE CA C 16.866 -1.866 1.335 1.00 . B B . 4 PHE CA 1 1
9 4627 2 1 5 PHE CB C 16.227 -0.877 2.301 1.00 . B B . 4 PHE CB 1 1
9 4628 2 1 5 PHE CD1 C 14.949 0.814 0.920 1.00 . B B . 4 PHE CD1 1 1
9 4629 2 1 5 PHE CD2 C 16.960 1.519 2.096 1.00 . B B . 4 PHE CD2 1 1
9 4630 2 1 5 PHE CE1 C 14.736 2.137 0.500 1.00 . B B . 4 PHE CE1 1 1
9 4631 2 1 5 PHE CE2 C 16.739 2.843 1.694 1.00 . B B . 4 PHE CE2 1 1
9 4632 2 1 5 PHE CG C 16.045 0.515 1.748 1.00 . B B . 4 PHE CG 1 1
9 4633 2 1 5 PHE CZ C 15.607 3.155 0.925 1.00 . B B . 4 PHE CZ 1 1
9 4634 2 1 5 PHE H H 18.324 -0.462 0.739 1.00 . B B . 4 PHE H 1 1
9 4635 2 1 5 PHE HA H 16.912 -2.826 1.840 1.00 . B B . 4 PHE HA 1 1
9 4636 2 1 5 PHE HB2 H 15.252 -1.260 2.596 1.00 . B B . 4 PHE HB2 1 1
9 4637 2 1 5 PHE HB3 H 16.845 -0.829 3.197 1.00 . B B . 4 PHE HB3 1 1
9 4638 2 1 5 PHE HD1 H 14.267 0.029 0.626 1.00 . B B . 4 PHE HD1 1 1
9 4639 2 1 5 PHE HD2 H 17.825 1.267 2.684 1.00 . B B . 4 PHE HD2 1 1
9 4640 2 1 5 PHE HE1 H 13.888 2.378 -0.125 1.00 . B B . 4 PHE HE1 1 1
9 4641 2 1 5 PHE HE2 H 17.433 3.616 1.985 1.00 . B B . 4 PHE HE2 1 1
9 4642 2 1 5 PHE HZ H 15.421 4.175 0.637 1.00 . B B . 4 PHE HZ 1 1
9 4643 2 1 5 PHE N N 18.215 -1.425 1.019 1.00 . B B . 4 PHE N 1 1
9 4644 2 1 5 PHE O O 14.956 -2.664 0.190 1.00 . B B . 4 PHE O 1 1
9 4645 2 1 6 ARG C C 16.117 -3.250 -2.865 1.00 . B B . 5 ARG C 1 1
9 4646 2 1 6 ARG CA C 15.817 -1.822 -2.380 1.00 . B B . 5 ARG CA 1 1
9 4647 2 1 6 ARG CB C 16.231 -0.742 -3.392 1.00 . B B . 5 ARG CB 1 1
9 4648 2 1 6 ARG CD C 13.949 0.488 -3.274 1.00 . B B . 5 ARG CD 1 1
9 4649 2 1 6 ARG CG C 15.480 0.581 -3.192 1.00 . B B . 5 ARG CG 1 1
9 4650 2 1 6 ARG CZ C 13.251 -0.242 -5.580 1.00 . B B . 5 ARG CZ 1 1
9 4651 2 1 6 ARG H H 17.295 -1.013 -1.096 1.00 . B B . 5 ARG H 1 1
9 4652 2 1 6 ARG HA H 14.738 -1.782 -2.246 1.00 . B B . 5 ARG HA 1 1
9 4653 2 1 6 ARG HB2 H 17.299 -0.565 -3.306 1.00 . B B . 5 ARG HB2 1 1
9 4654 2 1 6 ARG HB3 H 16.042 -1.079 -4.411 1.00 . B B . 5 ARG HB3 1 1
9 4655 2 1 6 ARG HD2 H 13.568 0.170 -2.303 1.00 . B B . 5 ARG HD2 1 1
9 4656 2 1 6 ARG HD3 H 13.548 1.479 -3.484 1.00 . B B . 5 ARG HD3 1 1
9 4657 2 1 6 ARG HE H 13.300 -1.411 -3.947 1.00 . B B . 5 ARG HE 1 1
9 4658 2 1 6 ARG HG2 H 15.734 0.996 -2.219 1.00 . B B . 5 ARG HG2 1 1
9 4659 2 1 6 ARG HG3 H 15.831 1.271 -3.952 1.00 . B B . 5 ARG HG3 1 1
9 4660 2 1 6 ARG HH11 H 13.781 1.721 -5.538 1.00 . B B . 5 ARG HH11 1 1
9 4661 2 1 6 ARG HH12 H 13.241 1.121 -7.087 1.00 . B B . 5 ARG HH12 1 1
9 4662 2 1 6 ARG HH21 H 12.646 -2.148 -5.961 1.00 . B B . 5 ARG HH21 1 1
9 4663 2 1 6 ARG HH22 H 12.615 -1.065 -7.334 1.00 . B B . 5 ARG HH22 1 1
9 4664 2 1 6 ARG N N 16.433 -1.543 -1.083 1.00 . B B . 5 ARG N 1 1
9 4665 2 1 6 ARG NE N 13.476 -0.474 -4.282 1.00 . B B . 5 ARG NE 1 1
9 4666 2 1 6 ARG NH1 N 13.453 0.960 -6.114 1.00 . B B . 5 ARG NH1 1 1
9 4667 2 1 6 ARG NH2 N 12.811 -1.233 -6.359 1.00 . B B . 5 ARG NH2 1 1
9 4668 2 1 6 ARG O O 16.185 -3.507 -4.063 1.00 . B B . 5 ARG O 1 1
9 4669 2 1 7 ARG C C 14.985 -6.011 -2.889 1.00 . B B . 6 ARG C 1 1
9 4670 2 1 7 ARG CA C 16.207 -5.620 -2.053 1.00 . B B . 6 ARG CA 1 1
9 4671 2 1 7 ARG CB C 16.079 -6.217 -0.643 1.00 . B B . 6 ARG CB 1 1
9 4672 2 1 7 ARG CD C 18.549 -6.081 0.106 1.00 . B B . 6 ARG CD 1 1
9 4673 2 1 7 ARG CG C 17.092 -5.721 0.401 1.00 . B B . 6 ARG CG 1 1
9 4674 2 1 7 ARG CZ C 20.003 -5.606 -1.872 1.00 . B B . 6 ARG CZ 1 1
9 4675 2 1 7 ARG H H 16.211 -3.860 -0.961 1.00 . B B . 6 ARG H 1 1
9 4676 2 1 7 ARG HA H 17.128 -5.960 -2.516 1.00 . B B . 6 ARG HA 1 1
9 4677 2 1 7 ARG HB2 H 15.095 -5.946 -0.261 1.00 . B B . 6 ARG HB2 1 1
9 4678 2 1 7 ARG HB3 H 16.137 -7.301 -0.710 1.00 . B B . 6 ARG HB3 1 1
9 4679 2 1 7 ARG HD2 H 19.119 -5.958 1.024 1.00 . B B . 6 ARG HD2 1 1
9 4680 2 1 7 ARG HD3 H 18.606 -7.121 -0.196 1.00 . B B . 6 ARG HD3 1 1
9 4681 2 1 7 ARG HE H 19.019 -4.221 -0.786 1.00 . B B . 6 ARG HE 1 1
9 4682 2 1 7 ARG HG2 H 16.997 -4.645 0.515 1.00 . B B . 6 ARG HG2 1 1
9 4683 2 1 7 ARG HG3 H 16.823 -6.165 1.359 1.00 . B B . 6 ARG HG3 1 1
9 4684 2 1 7 ARG HH11 H 19.818 -7.609 -1.566 1.00 . B B . 6 ARG HH11 1 1
9 4685 2 1 7 ARG HH12 H 20.891 -7.142 -2.867 1.00 . B B . 6 ARG HH12 1 1
9 4686 2 1 7 ARG HH21 H 20.421 -3.705 -2.453 1.00 . B B . 6 ARG HH21 1 1
9 4687 2 1 7 ARG HH22 H 21.227 -4.964 -3.362 1.00 . B B . 6 ARG HH22 1 1
9 4688 2 1 7 ARG N N 16.251 -4.179 -1.914 1.00 . B B . 6 ARG N 1 1
9 4689 2 1 7 ARG NE N 19.167 -5.213 -0.904 1.00 . B B . 6 ARG NE 1 1
9 4690 2 1 7 ARG NH1 N 20.265 -6.891 -2.116 1.00 . B B . 6 ARG NH1 1 1
9 4691 2 1 7 ARG NH2 N 20.600 -4.685 -2.622 1.00 . B B . 6 ARG NH2 1 1
9 4692 2 1 7 ARG O O 13.904 -5.472 -2.660 1.00 . B B . 6 ARG O 1 1
9 4693 2 1 8 ASP C C 12.782 -7.578 -4.339 1.00 . B B . 7 ASP C 1 1
9 4694 2 1 8 ASP CA C 14.155 -7.183 -4.895 1.00 . B B . 7 ASP CA 1 1
9 4695 2 1 8 ASP CB C 14.678 -8.262 -5.851 1.00 . B B . 7 ASP CB 1 1
9 4696 2 1 8 ASP CG C 14.875 -9.622 -5.195 1.00 . B B . 7 ASP CG 1 1
9 4697 2 1 8 ASP H H 16.055 -7.366 -3.955 1.00 . B B . 7 ASP H 1 1
9 4698 2 1 8 ASP HA H 14.031 -6.266 -5.469 1.00 . B B . 7 ASP HA 1 1
9 4699 2 1 8 ASP HB2 H 13.983 -8.365 -6.680 1.00 . B B . 7 ASP HB2 1 1
9 4700 2 1 8 ASP HB3 H 15.639 -7.939 -6.249 1.00 . B B . 7 ASP HB3 1 1
9 4701 2 1 8 ASP N N 15.152 -6.923 -3.853 1.00 . B B . 7 ASP N 1 1
9 4702 2 1 8 ASP O O 11.761 -7.178 -4.891 1.00 . B B . 7 ASP O 1 1
9 4703 2 1 8 ASP OD1 O 13.881 -10.370 -5.057 1.00 . B B . 7 ASP OD1 1 1
9 4704 2 1 8 ASP OD2 O 16.030 -9.911 -4.845 1.00 . B B . 7 ASP OD2 1 1
9 4705 2 1 9 SER C C 10.916 -7.895 -1.700 1.00 . B B . 8 SER C 1 1
9 4706 2 1 9 SER CA C 11.557 -8.890 -2.659 1.00 . B B . 8 SER CA 1 1
9 4707 2 1 9 SER CB C 11.876 -10.192 -1.925 1.00 . B B . 8 SER CB 1 1
9 4708 2 1 9 SER H H 13.643 -8.642 -2.862 1.00 . B B . 8 SER H 1 1
9 4709 2 1 9 SER HA H 10.859 -9.116 -3.462 1.00 . B B . 8 SER HA 1 1
9 4710 2 1 9 SER HB2 H 12.670 -10.011 -1.203 1.00 . B B . 8 SER HB2 1 1
9 4711 2 1 9 SER HB3 H 10.992 -10.537 -1.393 1.00 . B B . 8 SER HB3 1 1
9 4712 2 1 9 SER HG H 12.943 -10.821 -3.428 1.00 . B B . 8 SER HG 1 1
9 4713 2 1 9 SER N N 12.762 -8.343 -3.247 1.00 . B B . 8 SER N 1 1
9 4714 2 1 9 SER O O 11.588 -7.291 -0.867 1.00 . B B . 8 SER O 1 1
9 4715 2 1 9 SER OG O 12.273 -11.189 -2.842 1.00 . B B . 8 SER OG 1 1
9 4716 2 1 10 GLY C C 7.399 -6.957 -1.690 1.00 . B B . 9 GLY C 1 1
9 4717 2 1 10 GLY CA C 8.710 -7.066 -0.915 1.00 . B B . 9 GLY CA 1 1
9 4718 2 1 10 GLY H H 9.122 -8.247 -2.567 1.00 . B B . 9 GLY H 1 1
9 4719 2 1 10 GLY HA2 H 8.556 -7.632 0.001 1.00 . B B . 9 GLY HA2 1 1
9 4720 2 1 10 GLY HA3 H 9.143 -6.109 -0.635 1.00 . B B . 9 GLY HA3 1 1
9 4721 2 1 10 GLY N N 9.591 -7.794 -1.795 1.00 . B B . 9 GLY N 1 1
9 4722 2 1 10 GLY O O 6.842 -7.990 -2.056 1.00 . B B . 9 GLY O 1 1
9 4723 2 1 11 TYR C C 6.268 -3.402 -1.958 1.00 . B B . 10 TYR C 1 1
9 4724 2 1 11 TYR CA C 7.301 -4.456 -1.559 1.00 . B B . 10 TYR CA 1 1
9 4725 2 1 11 TYR CB C 8.668 -4.075 -2.146 1.00 . B B . 10 TYR CB 1 1
9 4726 2 1 11 TYR CD1 C 9.372 -2.894 -0.007 1.00 . B B . 10 TYR CD1 1 1
9 4727 2 1 11 TYR CD2 C 11.037 -4.085 -1.318 1.00 . B B . 10 TYR CD2 1 1
9 4728 2 1 11 TYR CE1 C 10.348 -2.526 0.925 1.00 . B B . 10 TYR CE1 1 1
9 4729 2 1 11 TYR CE2 C 12.026 -3.704 -0.402 1.00 . B B . 10 TYR CE2 1 1
9 4730 2 1 11 TYR CG C 9.710 -3.677 -1.126 1.00 . B B . 10 TYR CG 1 1
9 4731 2 1 11 TYR CZ C 11.683 -2.930 0.732 1.00 . B B . 10 TYR CZ 1 1
9 4732 2 1 11 TYR H H 6.136 -5.754 -2.671 1.00 . B B . 10 TYR H 1 1
9 4733 2 1 11 TYR HA H 7.364 -4.491 -0.475 1.00 . B B . 10 TYR HA 1 1
9 4734 2 1 11 TYR HB2 H 9.059 -4.900 -2.738 1.00 . B B . 10 TYR HB2 1 1
9 4735 2 1 11 TYR HB3 H 8.539 -3.248 -2.833 1.00 . B B . 10 TYR HB3 1 1
9 4736 2 1 11 TYR HD1 H 8.365 -2.561 0.147 1.00 . B B . 10 TYR HD1 1 1
9 4737 2 1 11 TYR HD2 H 11.296 -4.706 -2.163 1.00 . B B . 10 TYR HD2 1 1
9 4738 2 1 11 TYR HE1 H 10.074 -1.944 1.788 1.00 . B B . 10 TYR HE1 1 1
9 4739 2 1 11 TYR HE2 H 13.034 -4.048 -0.552 1.00 . B B . 10 TYR HE2 1 1
9 4740 2 1 11 TYR HH H 13.496 -2.914 1.426 1.00 . B B . 10 TYR HH 1 1
9 4741 2 1 11 TYR N N 6.881 -5.767 -2.001 1.00 . B B . 10 TYR N 1 1
9 4742 2 1 11 TYR O O 5.637 -3.475 -3.010 1.00 . B B . 10 TYR O 1 1
9 4743 2 1 11 TYR OH O 12.620 -2.597 1.660 1.00 . B B . 10 TYR OH 1 1
9 4744 2 1 12 GLU C C 6.384 -0.037 -0.742 1.00 . B B . 11 GLU C 1 1
9 4745 2 1 12 GLU CA C 5.486 -1.129 -1.350 1.00 . B B . 11 GLU CA 1 1
9 4746 2 1 12 GLU CB C 4.104 -1.226 -0.703 1.00 . B B . 11 GLU CB 1 1
9 4747 2 1 12 GLU CD C 2.072 0.227 -0.146 1.00 . B B . 11 GLU CD 1 1
9 4748 2 1 12 GLU CG C 3.228 -0.035 -1.103 1.00 . B B . 11 GLU CG 1 1
9 4749 2 1 12 GLU H H 6.670 -2.440 -0.244 1.00 . B B . 11 GLU H 1 1
9 4750 2 1 12 GLU HA H 5.378 -0.975 -2.425 1.00 . B B . 11 GLU HA 1 1
9 4751 2 1 12 GLU HB2 H 3.613 -2.143 -1.025 1.00 . B B . 11 GLU HB2 1 1
9 4752 2 1 12 GLU HB3 H 4.235 -1.269 0.377 1.00 . B B . 11 GLU HB3 1 1
9 4753 2 1 12 GLU HG2 H 3.835 0.867 -1.140 1.00 . B B . 11 GLU HG2 1 1
9 4754 2 1 12 GLU HG3 H 2.833 -0.202 -2.103 1.00 . B B . 11 GLU HG3 1 1
9 4755 2 1 12 GLU N N 6.177 -2.375 -1.121 1.00 . B B . 11 GLU N 1 1
9 4756 2 1 12 GLU O O 6.002 0.642 0.212 1.00 . B B . 11 GLU O 1 1
9 4757 2 1 12 GLU OE1 O 2.024 -0.360 0.952 1.00 . B B . 11 GLU OE1 1 1
9 4758 2 1 12 GLU OE2 O 1.254 1.094 -0.506 1.00 . B B . 11 GLU OE2 1 1
9 4759 2 1 13 VAL C C 8.464 2.180 -0.259 1.00 . B B . 12 VAL C 1 1
9 4760 2 1 13 VAL CA C 8.782 0.774 -0.770 1.00 . B B . 12 VAL CA 1 1
9 4761 2 1 13 VAL CB C 9.832 0.866 -1.901 1.00 . B B . 12 VAL CB 1 1
9 4762 2 1 13 VAL CG1 C 10.987 1.814 -1.561 1.00 . B B . 12 VAL CG1 1 1
9 4763 2 1 13 VAL CG2 C 10.468 -0.493 -2.213 1.00 . B B . 12 VAL CG2 1 1
9 4764 2 1 13 VAL H H 7.790 -0.524 -2.082 1.00 . B B . 12 VAL H 1 1
9 4765 2 1 13 VAL HA H 9.213 0.193 0.041 1.00 . B B . 12 VAL HA 1 1
9 4766 2 1 13 VAL HB H 9.338 1.235 -2.800 1.00 . B B . 12 VAL HB 1 1
9 4767 2 1 13 VAL HG11 H 10.622 2.832 -1.447 1.00 . B B . 12 VAL HG11 1 1
9 4768 2 1 13 VAL HG12 H 11.476 1.492 -0.643 1.00 . B B . 12 VAL HG12 1 1
9 4769 2 1 13 VAL HG13 H 11.711 1.813 -2.370 1.00 . B B . 12 VAL HG13 1 1
9 4770 2 1 13 VAL HG21 H 11.074 -0.824 -1.371 1.00 . B B . 12 VAL HG21 1 1
9 4771 2 1 13 VAL HG22 H 9.697 -1.231 -2.412 1.00 . B B . 12 VAL HG22 1 1
9 4772 2 1 13 VAL HG23 H 11.090 -0.407 -3.099 1.00 . B B . 12 VAL HG23 1 1
9 4773 2 1 13 VAL N N 7.614 0.050 -1.271 1.00 . B B . 12 VAL N 1 1
9 4774 2 1 13 VAL O O 9.036 2.607 0.741 1.00 . B B . 12 VAL O 1 1
9 4775 2 1 14 HIS C C 6.587 4.566 0.619 1.00 . B B . 13 HIS C 1 1
9 4776 2 1 14 HIS CA C 7.372 4.324 -0.674 1.00 . B B . 13 HIS CA 1 1
9 4777 2 1 14 HIS CB C 6.741 5.011 -1.889 1.00 . B B . 13 HIS CB 1 1
9 4778 2 1 14 HIS CD2 C 8.954 4.850 -3.214 1.00 . B B . 13 HIS CD2 1 1
9 4779 2 1 14 HIS CE1 C 8.171 4.924 -5.250 1.00 . B B . 13 HIS CE1 1 1
9 4780 2 1 14 HIS CG C 7.590 4.960 -3.135 1.00 . B B . 13 HIS CG 1 1
9 4781 2 1 14 HIS H H 7.141 2.516 -1.762 1.00 . B B . 13 HIS H 1 1
9 4782 2 1 14 HIS HA H 8.359 4.763 -0.519 1.00 . B B . 13 HIS HA 1 1
9 4783 2 1 14 HIS HB2 H 5.777 4.548 -2.100 1.00 . B B . 13 HIS HB2 1 1
9 4784 2 1 14 HIS HB3 H 6.571 6.060 -1.646 1.00 . B B . 13 HIS HB3 1 1
9 4785 2 1 14 HIS HD1 H 6.151 5.079 -4.697 1.00 . B B . 13 HIS HD1 1 1
9 4786 2 1 14 HIS HD2 H 9.635 4.791 -2.380 1.00 . B B . 13 HIS HD2 1 1
9 4787 2 1 14 HIS HE1 H 8.098 4.900 -6.325 1.00 . B B . 13 HIS HE1 1 1
9 4788 2 1 14 HIS N N 7.593 2.917 -0.953 1.00 . B B . 13 HIS N 1 1
9 4789 2 1 14 HIS ND1 N 7.121 5.016 -4.422 1.00 . B B . 13 HIS ND1 1 1
9 4790 2 1 14 HIS NE2 N 9.317 4.821 -4.562 1.00 . B B . 13 HIS NE2 1 1
9 4791 2 1 14 HIS O O 6.473 5.717 1.021 1.00 . B B . 13 HIS O 1 1
9 4792 2 1 15 HIS C C 6.163 2.257 3.477 1.00 . B B . 14 HIS C 1 1
9 4793 2 1 15 HIS CA C 5.920 3.604 2.768 1.00 . B B . 14 HIS CA 1 1
9 4794 2 1 15 HIS CB C 4.612 4.331 3.136 1.00 . B B . 14 HIS CB 1 1
9 4795 2 1 15 HIS CD2 C 2.832 2.792 2.106 1.00 . B B . 14 HIS CD2 1 1
9 4796 2 1 15 HIS CE1 C 1.460 2.628 3.806 1.00 . B B . 14 HIS CE1 1 1
9 4797 2 1 15 HIS CG C 3.357 3.507 3.143 1.00 . B B . 14 HIS CG 1 1
9 4798 2 1 15 HIS H H 6.201 2.596 0.921 1.00 . B B . 14 HIS H 1 1
9 4799 2 1 15 HIS HA H 6.711 4.257 3.132 1.00 . B B . 14 HIS HA 1 1
9 4800 2 1 15 HIS HB2 H 4.740 4.757 4.129 1.00 . B B . 14 HIS HB2 1 1
9 4801 2 1 15 HIS HB3 H 4.450 5.168 2.460 1.00 . B B . 14 HIS HB3 1 1
9 4802 2 1 15 HIS HD1 H 2.610 3.795 5.117 1.00 . B B . 14 HIS HD1 1 1
9 4803 2 1 15 HIS HD2 H 3.271 2.682 1.128 1.00 . B B . 14 HIS HD2 1 1
9 4804 2 1 15 HIS HE1 H 0.621 2.361 4.430 1.00 . B B . 14 HIS HE1 1 1
9 4805 2 1 15 HIS N N 6.132 3.521 1.325 1.00 . B B . 14 HIS N 1 1
9 4806 2 1 15 HIS ND1 N 2.488 3.390 4.199 1.00 . B B . 14 HIS ND1 1 1
9 4807 2 1 15 HIS NE2 N 1.619 2.245 2.531 1.00 . B B . 14 HIS NE2 1 1
9 4808 2 1 15 HIS O O 5.580 1.998 4.524 1.00 . B B . 14 HIS O 1 1
9 4809 2 1 16 GLN C C 9.184 0.415 3.589 1.00 . B B . 15 GLN C 1 1
9 4810 2 1 16 GLN CA C 7.658 0.252 3.558 1.00 . B B . 15 GLN CA 1 1
9 4811 2 1 16 GLN CB C 7.283 -1.016 2.786 1.00 . B B . 15 GLN CB 1 1
9 4812 2 1 16 GLN CD C 5.596 -2.840 2.384 1.00 . B B . 15 GLN CD 1 1
9 4813 2 1 16 GLN CG C 5.843 -1.480 3.035 1.00 . B B . 15 GLN CG 1 1
9 4814 2 1 16 GLN H H 7.470 1.680 2.046 1.00 . B B . 15 GLN H 1 1
9 4815 2 1 16 GLN HA H 7.308 0.162 4.582 1.00 . B B . 15 GLN HA 1 1
9 4816 2 1 16 GLN HB2 H 7.454 -0.859 1.723 1.00 . B B . 15 GLN HB2 1 1
9 4817 2 1 16 GLN HB3 H 7.938 -1.827 3.094 1.00 . B B . 15 GLN HB3 1 1
9 4818 2 1 16 GLN HE21 H 3.868 -3.129 3.410 1.00 . B B . 15 GLN HE21 1 1
9 4819 2 1 16 GLN HE22 H 4.308 -4.394 2.282 1.00 . B B . 15 GLN HE22 1 1
9 4820 2 1 16 GLN HG2 H 5.676 -1.570 4.109 1.00 . B B . 15 GLN HG2 1 1
9 4821 2 1 16 GLN HG3 H 5.140 -0.749 2.636 1.00 . B B . 15 GLN HG3 1 1
9 4822 2 1 16 GLN N N 7.051 1.417 2.923 1.00 . B B . 15 GLN N 1 1
9 4823 2 1 16 GLN NE2 N 4.512 -3.517 2.738 1.00 . B B . 15 GLN NE2 1 1
9 4824 2 1 16 GLN O O 9.717 1.415 3.134 1.00 . B B . 15 GLN O 1 1
9 4825 2 1 16 GLN OE1 O 6.381 -3.306 1.571 1.00 . B B . 15 GLN OE1 1 1
9 4826 2 1 17 LYS C C 11.920 -1.893 4.613 1.00 . B B . 16 LYS C 1 1
9 4827 2 1 17 LYS CA C 11.344 -0.496 4.381 1.00 . B B . 16 LYS CA 1 1
9 4828 2 1 17 LYS CB C 11.611 0.457 5.559 1.00 . B B . 16 LYS CB 1 1
9 4829 2 1 17 LYS CD C 11.111 1.184 7.884 1.00 . B B . 16 LYS CD 1 1
9 4830 2 1 17 LYS CE C 10.327 0.913 9.161 1.00 . B B . 16 LYS CE 1 1
9 4831 2 1 17 LYS CG C 10.852 0.098 6.845 1.00 . B B . 16 LYS CG 1 1
9 4832 2 1 17 LYS H H 9.435 -1.395 4.451 1.00 . B B . 16 LYS H 1 1
9 4833 2 1 17 LYS HA H 11.837 -0.087 3.498 1.00 . B B . 16 LYS HA 1 1
9 4834 2 1 17 LYS HB2 H 12.676 0.467 5.778 1.00 . B B . 16 LYS HB2 1 1
9 4835 2 1 17 LYS HB3 H 11.333 1.467 5.256 1.00 . B B . 16 LYS HB3 1 1
9 4836 2 1 17 LYS HD2 H 12.177 1.228 8.116 1.00 . B B . 16 LYS HD2 1 1
9 4837 2 1 17 LYS HD3 H 10.786 2.139 7.474 1.00 . B B . 16 LYS HD3 1 1
9 4838 2 1 17 LYS HE2 H 9.282 0.731 8.905 1.00 . B B . 16 LYS HE2 1 1
9 4839 2 1 17 LYS HE3 H 10.734 0.039 9.666 1.00 . B B . 16 LYS HE3 1 1
9 4840 2 1 17 LYS HG2 H 9.780 0.050 6.654 1.00 . B B . 16 LYS HG2 1 1
9 4841 2 1 17 LYS HG3 H 11.195 -0.864 7.225 1.00 . B B . 16 LYS HG3 1 1
9 4842 2 1 17 LYS HZ1 H 11.356 2.245 10.326 1.00 . B B . 16 LYS HZ1 1 1
9 4843 2 1 17 LYS HZ2 H 10.058 2.895 9.559 1.00 . B B . 16 LYS HZ2 1 1
9 4844 2 1 17 LYS HZ3 H 9.833 1.932 10.870 1.00 . B B . 16 LYS HZ3 1 1
9 4845 2 1 17 LYS N N 9.911 -0.568 4.122 1.00 . B B . 16 LYS N 1 1
9 4846 2 1 17 LYS NZ N 10.400 2.078 10.049 1.00 . B B . 16 LYS NZ 1 1
9 4847 2 1 17 LYS O O 11.191 -2.875 4.690 1.00 . B B . 16 LYS O 1 1
9 4848 2 1 18 NH2 HN1 H 13.824 -1.176 4.638 1.00 . B B . 17 NH2 HN1 1 1
9 4849 2 1 18 NH2 HN2 H 13.664 -2.906 4.841 1.00 . B B . 17 NH2 HN2 1 1
9 4850 2 1 18 NH2 N N 13.242 -1.998 4.707 1.00 . B B . 17 NH2 N 1 1
9 4851 3 2 1 ZN ZN ZN 0.510 0.822 1.519 1.00 . C A . 101 ZN ZN 1 1
10 4852 1 1 1 ACE C C -16.707 -5.713 1.117 1.00 . A A . 0 ACE C 1 1
10 4853 1 1 1 ACE CH3 C -17.096 -6.922 0.284 1.00 . A A . 0 ACE CH3 1 1
10 4854 1 1 1 ACE H1 H -17.405 -6.603 -0.706 1.00 . A A . 0 ACE H1 1 1
10 4855 1 1 1 ACE H2 H -16.241 -7.591 0.190 1.00 . A A . 0 ACE H2 1 1
10 4856 1 1 1 ACE H3 H -17.916 -7.454 0.764 1.00 . A A . 0 ACE H3 1 1
10 4857 1 1 1 ACE O O -17.344 -5.449 2.132 1.00 . A A . 0 ACE O 1 1
10 4858 1 1 2 ASP C C -15.457 -2.552 1.192 1.00 . A A . 1 ASP C 1 1
10 4859 1 1 2 ASP CA C -14.939 -3.969 1.441 1.00 . A A . 1 ASP CA 1 1
10 4860 1 1 2 ASP CB C -13.450 -4.032 1.059 1.00 . A A . 1 ASP CB 1 1
10 4861 1 1 2 ASP CG C -12.717 -5.181 1.732 1.00 . A A . 1 ASP CG 1 1
10 4862 1 1 2 ASP H H -15.219 -5.294 -0.173 1.00 . A A . 1 ASP H 1 1
10 4863 1 1 2 ASP HA H -15.050 -4.153 2.509 1.00 . A A . 1 ASP HA 1 1
10 4864 1 1 2 ASP HB2 H -13.350 -4.116 -0.024 1.00 . A A . 1 ASP HB2 1 1
10 4865 1 1 2 ASP HB3 H -12.962 -3.113 1.365 1.00 . A A . 1 ASP HB3 1 1
10 4866 1 1 2 ASP N N -15.642 -5.018 0.701 1.00 . A A . 1 ASP N 1 1
10 4867 1 1 2 ASP O O -14.903 -1.619 1.763 1.00 . A A . 1 ASP O 1 1
10 4868 1 1 2 ASP OD1 O -13.094 -5.559 2.845 1.00 . A A . 1 ASP OD1 1 1
10 4869 1 1 2 ASP OD2 O -11.733 -5.663 1.135 1.00 . A A . 1 ASP OD2 1 1
10 4870 1 1 3 ALA C C -17.166 -0.017 0.892 1.00 . A A . 2 ALA C 1 1
10 4871 1 1 3 ALA CA C -17.140 -1.181 -0.102 1.00 . A A . 2 ALA CA 1 1
10 4872 1 1 3 ALA CB C -18.576 -1.546 -0.469 1.00 . A A . 2 ALA CB 1 1
10 4873 1 1 3 ALA H H -16.805 -3.261 -0.083 1.00 . A A . 2 ALA H 1 1
10 4874 1 1 3 ALA HA H -16.632 -0.832 -0.999 1.00 . A A . 2 ALA HA 1 1
10 4875 1 1 3 ALA HB1 H -19.097 -1.910 0.415 1.00 . A A . 2 ALA HB1 1 1
10 4876 1 1 3 ALA HB2 H -19.091 -0.662 -0.838 1.00 . A A . 2 ALA HB2 1 1
10 4877 1 1 3 ALA HB3 H -18.576 -2.323 -1.231 1.00 . A A . 2 ALA HB3 1 1
10 4878 1 1 3 ALA N N -16.487 -2.410 0.352 1.00 . A A . 2 ALA N 1 1
10 4879 1 1 3 ALA O O -16.822 1.100 0.523 1.00 . A A . 2 ALA O 1 1
10 4880 1 1 4 GLU C C -16.346 1.411 3.544 1.00 . A A . 3 GLU C 1 1
10 4881 1 1 4 GLU CA C -17.673 0.735 3.193 1.00 . A A . 3 GLU CA 1 1
10 4882 1 1 4 GLU CB C -18.315 0.080 4.412 1.00 . A A . 3 GLU CB 1 1
10 4883 1 1 4 GLU CD C -18.183 -1.937 5.862 1.00 . A A . 3 GLU CD 1 1
10 4884 1 1 4 GLU CG C -17.378 -0.935 5.070 1.00 . A A . 3 GLU CG 1 1
10 4885 1 1 4 GLU H H -17.822 -1.216 2.376 1.00 . A A . 3 GLU H 1 1
10 4886 1 1 4 GLU HA H -18.348 1.512 2.851 1.00 . A A . 3 GLU HA 1 1
10 4887 1 1 4 GLU HB2 H -18.577 0.841 5.145 1.00 . A A . 3 GLU HB2 1 1
10 4888 1 1 4 GLU HB3 H -19.232 -0.417 4.094 1.00 . A A . 3 GLU HB3 1 1
10 4889 1 1 4 GLU HG2 H -16.804 -1.468 4.310 1.00 . A A . 3 GLU HG2 1 1
10 4890 1 1 4 GLU HG3 H -16.693 -0.414 5.737 1.00 . A A . 3 GLU HG3 1 1
10 4891 1 1 4 GLU N N -17.561 -0.269 2.140 1.00 . A A . 3 GLU N 1 1
10 4892 1 1 4 GLU O O -16.368 2.508 4.079 1.00 . A A . 3 GLU O 1 1
10 4893 1 1 4 GLU OE1 O -18.889 -1.496 6.787 1.00 . A A . 3 GLU OE1 1 1
10 4894 1 1 4 GLU OE2 O -18.144 -3.122 5.514 1.00 . A A . 3 GLU OE2 1 1
10 4895 1 1 5 PHE C C -13.270 1.864 2.081 1.00 . A A . 4 PHE C 1 1
10 4896 1 1 5 PHE CA C -13.871 1.362 3.383 1.00 . A A . 4 PHE CA 1 1
10 4897 1 1 5 PHE CB C -12.951 0.319 4.012 1.00 . A A . 4 PHE CB 1 1
10 4898 1 1 5 PHE CD1 C -13.491 0.748 6.432 1.00 . A A . 4 PHE CD1 1 1
10 4899 1 1 5 PHE CD2 C -13.991 -1.440 5.491 1.00 . A A . 4 PHE CD2 1 1
10 4900 1 1 5 PHE CE1 C -14.007 0.340 7.671 1.00 . A A . 4 PHE CE1 1 1
10 4901 1 1 5 PHE CE2 C -14.518 -1.843 6.728 1.00 . A A . 4 PHE CE2 1 1
10 4902 1 1 5 PHE CG C -13.465 -0.147 5.350 1.00 . A A . 4 PHE CG 1 1
10 4903 1 1 5 PHE CZ C -14.523 -0.958 7.819 1.00 . A A . 4 PHE CZ 1 1
10 4904 1 1 5 PHE H H -15.266 -0.132 2.837 1.00 . A A . 4 PHE H 1 1
10 4905 1 1 5 PHE HA H -13.922 2.215 4.051 1.00 . A A . 4 PHE HA 1 1
10 4906 1 1 5 PHE HB2 H -12.852 -0.529 3.333 1.00 . A A . 4 PHE HB2 1 1
10 4907 1 1 5 PHE HB3 H -11.964 0.755 4.156 1.00 . A A . 4 PHE HB3 1 1
10 4908 1 1 5 PHE HD1 H -13.132 1.757 6.300 1.00 . A A . 4 PHE HD1 1 1
10 4909 1 1 5 PHE HD2 H -14.012 -2.108 4.643 1.00 . A A . 4 PHE HD2 1 1
10 4910 1 1 5 PHE HE1 H -14.007 1.025 8.504 1.00 . A A . 4 PHE HE1 1 1
10 4911 1 1 5 PHE HE2 H -14.924 -2.831 6.839 1.00 . A A . 4 PHE HE2 1 1
10 4912 1 1 5 PHE HZ H -14.919 -1.281 8.771 1.00 . A A . 4 PHE HZ 1 1
10 4913 1 1 5 PHE N N -15.206 0.796 3.227 1.00 . A A . 4 PHE N 1 1
10 4914 1 1 5 PHE O O -12.273 2.575 2.149 1.00 . A A . 4 PHE O 1 1
10 4915 1 1 6 ARG C C -13.757 3.531 -0.594 1.00 . A A . 5 ARG C 1 1
10 4916 1 1 6 ARG CA C -13.453 2.033 -0.396 1.00 . A A . 5 ARG CA 1 1
10 4917 1 1 6 ARG CB C -14.098 1.163 -1.484 1.00 . A A . 5 ARG CB 1 1
10 4918 1 1 6 ARG CD C -12.274 -0.689 -1.283 1.00 . A A . 5 ARG CD 1 1
10 4919 1 1 6 ARG CG C -13.766 -0.332 -1.356 1.00 . A A . 5 ARG CG 1 1
10 4920 1 1 6 ARG CZ C -11.594 -0.438 -3.686 1.00 . A A . 5 ARG CZ 1 1
10 4921 1 1 6 ARG H H -14.693 0.970 0.949 1.00 . A A . 5 ARG H 1 1
10 4922 1 1 6 ARG HA H -12.376 1.905 -0.475 1.00 . A A . 5 ARG HA 1 1
10 4923 1 1 6 ARG HB2 H -15.178 1.286 -1.442 1.00 . A A . 5 ARG HB2 1 1
10 4924 1 1 6 ARG HB3 H -13.764 1.506 -2.464 1.00 . A A . 5 ARG HB3 1 1
10 4925 1 1 6 ARG HD2 H -11.864 -0.312 -0.348 1.00 . A A . 5 ARG HD2 1 1
10 4926 1 1 6 ARG HD3 H -12.160 -1.773 -1.285 1.00 . A A . 5 ARG HD3 1 1
10 4927 1 1 6 ARG HE H -10.877 0.638 -2.146 1.00 . A A . 5 ARG HE 1 1
10 4928 1 1 6 ARG HG2 H -14.243 -0.721 -0.465 1.00 . A A . 5 ARG HG2 1 1
10 4929 1 1 6 ARG HG3 H -14.202 -0.841 -2.206 1.00 . A A . 5 ARG HG3 1 1
10 4930 1 1 6 ARG HH11 H -12.984 -1.895 -3.449 1.00 . A A . 5 ARG HH11 1 1
10 4931 1 1 6 ARG HH12 H -12.481 -1.602 -5.099 1.00 . A A . 5 ARG HH12 1 1
10 4932 1 1 6 ARG HH21 H -10.162 0.880 -4.263 1.00 . A A . 5 ARG HH21 1 1
10 4933 1 1 6 ARG HH22 H -10.888 -0.057 -5.550 1.00 . A A . 5 ARG HH22 1 1
10 4934 1 1 6 ARG N N -13.871 1.555 0.923 1.00 . A A . 5 ARG N 1 1
10 4935 1 1 6 ARG NE N -11.502 -0.115 -2.389 1.00 . A A . 5 ARG NE 1 1
10 4936 1 1 6 ARG NH1 N -12.416 -1.391 -4.113 1.00 . A A . 5 ARG NH1 1 1
10 4937 1 1 6 ARG NH2 N -10.847 0.207 -4.577 1.00 . A A . 5 ARG NH2 1 1
10 4938 1 1 6 ARG O O -13.965 3.980 -1.715 1.00 . A A . 5 ARG O 1 1
10 4939 1 1 7 ARG C C -12.933 6.591 0.201 1.00 . A A . 6 ARG C 1 1
10 4940 1 1 7 ARG CA C -14.134 5.712 0.552 1.00 . A A . 6 ARG CA 1 1
10 4941 1 1 7 ARG CB C -14.584 6.065 1.976 1.00 . A A . 6 ARG CB 1 1
10 4942 1 1 7 ARG CD C -16.992 5.180 1.769 1.00 . A A . 6 ARG CD 1 1
10 4943 1 1 7 ARG CG C -15.683 5.172 2.558 1.00 . A A . 6 ARG CG 1 1
10 4944 1 1 7 ARG CZ C -17.422 4.290 -0.536 1.00 . A A . 6 ARG CZ 1 1
10 4945 1 1 7 ARG H H -13.633 3.867 1.387 1.00 . A A . 6 ARG H 1 1
10 4946 1 1 7 ARG HA H -14.948 5.886 -0.141 1.00 . A A . 6 ARG HA 1 1
10 4947 1 1 7 ARG HB2 H -13.717 5.987 2.633 1.00 . A A . 6 ARG HB2 1 1
10 4948 1 1 7 ARG HB3 H -14.928 7.101 1.996 1.00 . A A . 6 ARG HB3 1 1
10 4949 1 1 7 ARG HD2 H -17.814 4.996 2.462 1.00 . A A . 6 ARG HD2 1 1
10 4950 1 1 7 ARG HD3 H -17.124 6.162 1.330 1.00 . A A . 6 ARG HD3 1 1
10 4951 1 1 7 ARG HE H -16.899 3.185 1.066 1.00 . A A . 6 ARG HE 1 1
10 4952 1 1 7 ARG HG2 H -15.303 4.158 2.621 1.00 . A A . 6 ARG HG2 1 1
10 4953 1 1 7 ARG HG3 H -15.893 5.525 3.566 1.00 . A A . 6 ARG HG3 1 1
10 4954 1 1 7 ARG HH11 H -17.518 6.327 -0.521 1.00 . A A . 6 ARG HH11 1 1
10 4955 1 1 7 ARG HH12 H -17.961 5.561 -2.028 1.00 . A A . 6 ARG HH12 1 1
10 4956 1 1 7 ARG HH21 H -17.462 2.291 -0.904 1.00 . A A . 6 ARG HH21 1 1
10 4957 1 1 7 ARG HH22 H -17.953 3.306 -2.238 1.00 . A A . 6 ARG HH22 1 1
10 4958 1 1 7 ARG N N -13.807 4.303 0.497 1.00 . A A . 6 ARG N 1 1
10 4959 1 1 7 ARG NE N -17.040 4.132 0.740 1.00 . A A . 6 ARG NE 1 1
10 4960 1 1 7 ARG NH1 N -17.659 5.490 -1.067 1.00 . A A . 6 ARG NH1 1 1
10 4961 1 1 7 ARG NH2 N -17.591 3.211 -1.301 1.00 . A A . 6 ARG NH2 1 1
10 4962 1 1 7 ARG O O -11.793 6.142 0.250 1.00 . A A . 6 ARG O 1 1
10 4963 1 1 8 ASP C C -11.312 9.105 1.077 1.00 . A A . 7 ASP C 1 1
10 4964 1 1 8 ASP CA C -12.164 8.907 -0.192 1.00 . A A . 7 ASP CA 1 1
10 4965 1 1 8 ASP CB C -12.894 10.202 -0.575 1.00 . A A . 7 ASP CB 1 1
10 4966 1 1 8 ASP CG C -11.925 11.322 -0.915 1.00 . A A . 7 ASP CG 1 1
10 4967 1 1 8 ASP H H -14.144 8.194 -0.027 1.00 . A A . 7 ASP H 1 1
10 4968 1 1 8 ASP HA H -11.504 8.621 -1.010 1.00 . A A . 7 ASP HA 1 1
10 4969 1 1 8 ASP HB2 H -13.512 10.017 -1.455 1.00 . A A . 7 ASP HB2 1 1
10 4970 1 1 8 ASP HB3 H -13.544 10.510 0.246 1.00 . A A . 7 ASP HB3 1 1
10 4971 1 1 8 ASP N N -13.184 7.880 -0.036 1.00 . A A . 7 ASP N 1 1
10 4972 1 1 8 ASP O O -10.202 9.623 0.983 1.00 . A A . 7 ASP O 1 1
10 4973 1 1 8 ASP OD1 O -10.924 11.048 -1.578 1.00 . A A . 7 ASP OD1 1 1
10 4974 1 1 8 ASP OD2 O -12.199 12.475 -0.513 1.00 . A A . 7 ASP OD2 1 1
10 4975 1 1 9 SER C C -9.916 8.659 3.900 1.00 . A A . 8 SER C 1 1
10 4976 1 1 9 SER CA C -11.374 8.990 3.589 1.00 . A A . 8 SER CA 1 1
10 4977 1 1 9 SER CB C -12.237 8.196 4.572 1.00 . A A . 8 SER CB 1 1
10 4978 1 1 9 SER H H -12.731 8.232 2.205 1.00 . A A . 8 SER H 1 1
10 4979 1 1 9 SER HA H -11.537 10.051 3.770 1.00 . A A . 8 SER HA 1 1
10 4980 1 1 9 SER HB2 H -11.952 7.144 4.524 1.00 . A A . 8 SER HB2 1 1
10 4981 1 1 9 SER HB3 H -12.070 8.564 5.585 1.00 . A A . 8 SER HB3 1 1
10 4982 1 1 9 SER HG H -14.099 7.770 4.881 1.00 . A A . 8 SER HG 1 1
10 4983 1 1 9 SER N N -11.828 8.679 2.238 1.00 . A A . 8 SER N 1 1
10 4984 1 1 9 SER O O -9.351 9.300 4.776 1.00 . A A . 8 SER O 1 1
10 4985 1 1 9 SER OG O -13.605 8.312 4.256 1.00 . A A . 8 SER OG 1 1
10 4986 1 1 10 GLY C C -7.182 7.390 2.216 1.00 . A A . 9 GLY C 1 1
10 4987 1 1 10 GLY CA C -7.956 7.224 3.510 1.00 . A A . 9 GLY CA 1 1
10 4988 1 1 10 GLY H H -9.772 7.229 2.456 1.00 . A A . 9 GLY H 1 1
10 4989 1 1 10 GLY HA2 H -7.477 7.802 4.300 1.00 . A A . 9 GLY HA2 1 1
10 4990 1 1 10 GLY HA3 H -7.995 6.186 3.816 1.00 . A A . 9 GLY HA3 1 1
10 4991 1 1 10 GLY N N -9.311 7.668 3.240 1.00 . A A . 9 GLY N 1 1
10 4992 1 1 10 GLY O O -7.017 8.521 1.784 1.00 . A A . 9 GLY O 1 1
10 4993 1 1 11 TYR C C -5.950 4.055 1.083 1.00 . A A . 10 TYR C 1 1
10 4994 1 1 11 TYR CA C -6.809 4.937 1.974 1.00 . A A . 10 TYR CA 1 1
10 4995 1 1 11 TYR CB C -8.246 4.424 1.852 1.00 . A A . 10 TYR CB 1 1
10 4996 1 1 11 TYR CD1 C -8.107 2.909 3.883 1.00 . A A . 10 TYR CD1 1 1
10 4997 1 1 11 TYR CD2 C -10.131 4.204 3.489 1.00 . A A . 10 TYR CD2 1 1
10 4998 1 1 11 TYR CE1 C -8.689 2.333 5.016 1.00 . A A . 10 TYR CE1 1 1
10 4999 1 1 11 TYR CE2 C -10.725 3.624 4.616 1.00 . A A . 10 TYR CE2 1 1
10 5000 1 1 11 TYR CG C -8.831 3.836 3.110 1.00 . A A . 10 TYR CG 1 1
10 5001 1 1 11 TYR CZ C -10.008 2.675 5.375 1.00 . A A . 10 TYR CZ 1 1
10 5002 1 1 11 TYR H H -6.474 6.443 0.589 1.00 . A A . 10 TYR H 1 1
10 5003 1 1 11 TYR HA H -6.453 4.864 3.002 1.00 . A A . 10 TYR HA 1 1
10 5004 1 1 11 TYR HB2 H -8.897 5.224 1.506 1.00 . A A . 10 TYR HB2 1 1
10 5005 1 1 11 TYR HB3 H -8.278 3.660 1.078 1.00 . A A . 10 TYR HB3 1 1
10 5006 1 1 11 TYR HD1 H -7.109 2.620 3.609 1.00 . A A . 10 TYR HD1 1 1
10 5007 1 1 11 TYR HD2 H -10.683 4.919 2.899 1.00 . A A . 10 TYR HD2 1 1
10 5008 1 1 11 TYR HE1 H -8.127 1.626 5.600 1.00 . A A . 10 TYR HE1 1 1
10 5009 1 1 11 TYR HE2 H -11.724 3.910 4.901 1.00 . A A . 10 TYR HE2 1 1
10 5010 1 1 11 TYR HH H -9.990 1.520 6.943 1.00 . A A . 10 TYR HH 1 1
10 5011 1 1 11 TYR N N -6.740 6.319 1.549 1.00 . A A . 10 TYR N 1 1
10 5012 1 1 11 TYR O O -5.773 4.335 -0.099 1.00 . A A . 10 TYR O 1 1
10 5013 1 1 11 TYR OH O -10.584 2.102 6.461 1.00 . A A . 10 TYR OH 1 1
10 5014 1 1 12 GLU C C -5.634 0.528 1.670 1.00 . A A . 11 GLU C 1 1
10 5015 1 1 12 GLU CA C -5.075 1.758 0.939 1.00 . A A . 11 GLU CA 1 1
10 5016 1 1 12 GLU CB C -3.559 1.813 0.909 1.00 . A A . 11 GLU CB 1 1
10 5017 1 1 12 GLU CD C -1.516 0.542 0.231 1.00 . A A . 11 GLU CD 1 1
10 5018 1 1 12 GLU CG C -2.979 0.802 -0.080 1.00 . A A . 11 GLU CG 1 1
10 5019 1 1 12 GLU H H -5.639 2.822 2.649 1.00 . A A . 11 GLU H 1 1
10 5020 1 1 12 GLU HA H -5.447 1.795 -0.081 1.00 . A A . 11 GLU HA 1 1
10 5021 1 1 12 GLU HB2 H -3.235 2.809 0.604 1.00 . A A . 11 GLU HB2 1 1
10 5022 1 1 12 GLU HB3 H -3.188 1.627 1.918 1.00 . A A . 11 GLU HB3 1 1
10 5023 1 1 12 GLU HG2 H -3.528 -0.139 -0.018 1.00 . A A . 11 GLU HG2 1 1
10 5024 1 1 12 GLU HG3 H -3.069 1.200 -1.090 1.00 . A A . 11 GLU HG3 1 1
10 5025 1 1 12 GLU N N -5.541 2.922 1.651 1.00 . A A . 11 GLU N 1 1
10 5026 1 1 12 GLU O O -4.943 -0.111 2.467 1.00 . A A . 11 GLU O 1 1
10 5027 1 1 12 GLU OE1 O -0.919 1.346 0.965 1.00 . A A . 11 GLU OE1 1 1
10 5028 1 1 12 GLU OE2 O -0.984 -0.489 -0.206 1.00 . A A . 11 GLU OE2 1 1
10 5029 1 1 13 VAL C C -7.211 -2.020 2.392 1.00 . A A . 12 VAL C 1 1
10 5030 1 1 13 VAL CA C -7.781 -0.613 2.246 1.00 . A A . 12 VAL CA 1 1
10 5031 1 1 13 VAL CB C -9.205 -0.659 1.650 1.00 . A A . 12 VAL CB 1 1
10 5032 1 1 13 VAL CG1 C -10.123 -1.701 2.320 1.00 . A A . 12 VAL CG1 1 1
10 5033 1 1 13 VAL CG2 C -9.878 0.702 1.815 1.00 . A A . 12 VAL CG2 1 1
10 5034 1 1 13 VAL H H -7.390 0.776 0.714 1.00 . A A . 12 VAL H 1 1
10 5035 1 1 13 VAL HA H -7.858 -0.169 3.237 1.00 . A A . 12 VAL HA 1 1
10 5036 1 1 13 VAL HB H -9.141 -0.885 0.585 1.00 . A A . 12 VAL HB 1 1
10 5037 1 1 13 VAL HG11 H -11.136 -1.609 1.931 1.00 . A A . 12 VAL HG11 1 1
10 5038 1 1 13 VAL HG12 H -9.775 -2.710 2.104 1.00 . A A . 12 VAL HG12 1 1
10 5039 1 1 13 VAL HG13 H -10.136 -1.547 3.400 1.00 . A A . 12 VAL HG13 1 1
10 5040 1 1 13 VAL HG21 H -9.983 0.934 2.872 1.00 . A A . 12 VAL HG21 1 1
10 5041 1 1 13 VAL HG22 H -9.290 1.475 1.327 1.00 . A A . 12 VAL HG22 1 1
10 5042 1 1 13 VAL HG23 H -10.856 0.662 1.347 1.00 . A A . 12 VAL HG23 1 1
10 5043 1 1 13 VAL N N -6.924 0.255 1.440 1.00 . A A . 12 VAL N 1 1
10 5044 1 1 13 VAL O O -7.478 -2.657 3.405 1.00 . A A . 12 VAL O 1 1
10 5045 1 1 14 HIS C C -4.883 -4.118 2.537 1.00 . A A . 13 HIS C 1 1
10 5046 1 1 14 HIS CA C -5.920 -3.855 1.431 1.00 . A A . 13 HIS CA 1 1
10 5047 1 1 14 HIS CB C -5.453 -4.251 0.024 1.00 . A A . 13 HIS CB 1 1
10 5048 1 1 14 HIS CD2 C -5.970 -6.765 -0.007 1.00 . A A . 13 HIS CD2 1 1
10 5049 1 1 14 HIS CE1 C -3.988 -7.570 -0.473 1.00 . A A . 13 HIS CE1 1 1
10 5050 1 1 14 HIS CG C -5.110 -5.710 -0.131 1.00 . A A . 13 HIS CG 1 1
10 5051 1 1 14 HIS H H -6.262 -1.939 0.595 1.00 . A A . 13 HIS H 1 1
10 5052 1 1 14 HIS HA H -6.779 -4.468 1.663 1.00 . A A . 13 HIS HA 1 1
10 5053 1 1 14 HIS HB2 H -6.253 -4.035 -0.684 1.00 . A A . 13 HIS HB2 1 1
10 5054 1 1 14 HIS HB3 H -4.593 -3.649 -0.248 1.00 . A A . 13 HIS HB3 1 1
10 5055 1 1 14 HIS HD1 H -3.022 -5.710 -0.558 1.00 . A A . 13 HIS HD1 1 1
10 5056 1 1 14 HIS HD2 H -7.024 -6.702 0.222 1.00 . A A . 13 HIS HD2 1 1
10 5057 1 1 14 HIS HE1 H -3.175 -8.253 -0.671 1.00 . A A . 13 HIS HE1 1 1
10 5058 1 1 14 HIS N N -6.426 -2.498 1.421 1.00 . A A . 13 HIS N 1 1
10 5059 1 1 14 HIS ND1 N -3.874 -6.235 -0.429 1.00 . A A . 13 HIS ND1 1 1
10 5060 1 1 14 HIS NE2 N -5.249 -7.945 -0.223 1.00 . A A . 13 HIS NE2 1 1
10 5061 1 1 14 HIS O O -4.610 -5.279 2.801 1.00 . A A . 13 HIS O 1 1
10 5062 1 1 15 HIS C C -4.549 -3.466 5.717 1.00 . A A . 14 HIS C 1 1
10 5063 1 1 15 HIS CA C -3.626 -3.359 4.502 1.00 . A A . 14 HIS CA 1 1
10 5064 1 1 15 HIS CB C -2.613 -2.253 4.756 1.00 . A A . 14 HIS CB 1 1
10 5065 1 1 15 HIS CD2 C -1.046 -1.191 3.059 1.00 . A A . 14 HIS CD2 1 1
10 5066 1 1 15 HIS CE1 C 0.242 -2.894 2.567 1.00 . A A . 14 HIS CE1 1 1
10 5067 1 1 15 HIS CG C -1.474 -2.264 3.781 1.00 . A A . 14 HIS CG 1 1
10 5068 1 1 15 HIS H H -4.591 -2.155 3.013 1.00 . A A . 14 HIS H 1 1
10 5069 1 1 15 HIS HA H -3.080 -4.297 4.423 1.00 . A A . 14 HIS HA 1 1
10 5070 1 1 15 HIS HB2 H -3.122 -1.290 4.717 1.00 . A A . 14 HIS HB2 1 1
10 5071 1 1 15 HIS HB3 H -2.193 -2.375 5.755 1.00 . A A . 14 HIS HB3 1 1
10 5072 1 1 15 HIS HD1 H -0.711 -4.261 3.842 1.00 . A A . 14 HIS HD1 1 1
10 5073 1 1 15 HIS HD2 H -1.482 -0.203 3.093 1.00 . A A . 14 HIS HD2 1 1
10 5074 1 1 15 HIS HE1 H 1.017 -3.495 2.122 1.00 . A A . 14 HIS HE1 1 1
10 5075 1 1 15 HIS N N -4.360 -3.110 3.254 1.00 . A A . 14 HIS N 1 1
10 5076 1 1 15 HIS ND1 N -0.653 -3.324 3.468 1.00 . A A . 14 HIS ND1 1 1
10 5077 1 1 15 HIS NE2 N 0.049 -1.599 2.294 1.00 . A A . 14 HIS NE2 1 1
10 5078 1 1 15 HIS O O -4.229 -4.180 6.662 1.00 . A A . 14 HIS O 1 1
10 5079 1 1 16 GLN C C -7.511 -4.107 6.707 1.00 . A A . 15 GLN C 1 1
10 5080 1 1 16 GLN CA C -6.653 -2.843 6.795 1.00 . A A . 15 GLN CA 1 1
10 5081 1 1 16 GLN CB C -7.498 -1.561 6.795 1.00 . A A . 15 GLN CB 1 1
10 5082 1 1 16 GLN CD C -6.376 -0.605 8.871 1.00 . A A . 15 GLN CD 1 1
10 5083 1 1 16 GLN CG C -6.727 -0.377 7.400 1.00 . A A . 15 GLN CG 1 1
10 5084 1 1 16 GLN H H -5.927 -2.210 4.914 1.00 . A A . 15 GLN H 1 1
10 5085 1 1 16 GLN HA H -6.108 -2.908 7.730 1.00 . A A . 15 GLN HA 1 1
10 5086 1 1 16 GLN HB2 H -7.799 -1.314 5.777 1.00 . A A . 15 GLN HB2 1 1
10 5087 1 1 16 GLN HB3 H -8.401 -1.727 7.376 1.00 . A A . 15 GLN HB3 1 1
10 5088 1 1 16 GLN HE21 H -8.167 0.085 9.512 1.00 . A A . 15 GLN HE21 1 1
10 5089 1 1 16 GLN HE22 H -7.067 -0.432 10.771 1.00 . A A . 15 GLN HE22 1 1
10 5090 1 1 16 GLN HG2 H -5.816 -0.206 6.827 1.00 . A A . 15 GLN HG2 1 1
10 5091 1 1 16 GLN HG3 H -7.337 0.520 7.328 1.00 . A A . 15 GLN HG3 1 1
10 5092 1 1 16 GLN N N -5.687 -2.773 5.713 1.00 . A A . 15 GLN N 1 1
10 5093 1 1 16 GLN NE2 N -7.278 -0.298 9.793 1.00 . A A . 15 GLN NE2 1 1
10 5094 1 1 16 GLN O O -7.903 -4.638 7.738 1.00 . A A . 15 GLN O 1 1
10 5095 1 1 16 GLN OE1 O -5.301 -1.091 9.186 1.00 . A A . 15 GLN OE1 1 1
10 5096 1 1 17 LYS C C -7.981 -6.677 4.182 1.00 . A A . 16 LYS C 1 1
10 5097 1 1 17 LYS CA C -8.591 -5.795 5.273 1.00 . A A . 16 LYS CA 1 1
10 5098 1 1 17 LYS CB C -10.016 -5.353 4.904 1.00 . A A . 16 LYS CB 1 1
10 5099 1 1 17 LYS CD C -12.271 -4.633 5.932 1.00 . A A . 16 LYS CD 1 1
10 5100 1 1 17 LYS CE C -13.052 -5.910 6.258 1.00 . A A . 16 LYS CE 1 1
10 5101 1 1 17 LYS CG C -10.756 -4.771 6.122 1.00 . A A . 16 LYS CG 1 1
10 5102 1 1 17 LYS H H -7.428 -4.128 4.689 1.00 . A A . 16 LYS H 1 1
10 5103 1 1 17 LYS HA H -8.637 -6.393 6.185 1.00 . A A . 16 LYS HA 1 1
10 5104 1 1 17 LYS HB2 H -9.983 -4.610 4.106 1.00 . A A . 16 LYS HB2 1 1
10 5105 1 1 17 LYS HB3 H -10.546 -6.217 4.526 1.00 . A A . 16 LYS HB3 1 1
10 5106 1 1 17 LYS HD2 H -12.623 -3.874 6.627 1.00 . A A . 16 LYS HD2 1 1
10 5107 1 1 17 LYS HD3 H -12.495 -4.284 4.925 1.00 . A A . 16 LYS HD3 1 1
10 5108 1 1 17 LYS HE2 H -12.791 -6.251 7.259 1.00 . A A . 16 LYS HE2 1 1
10 5109 1 1 17 LYS HE3 H -14.112 -5.680 6.241 1.00 . A A . 16 LYS HE3 1 1
10 5110 1 1 17 LYS HG2 H -10.574 -5.391 7.002 1.00 . A A . 16 LYS HG2 1 1
10 5111 1 1 17 LYS HG3 H -10.351 -3.779 6.320 1.00 . A A . 16 LYS HG3 1 1
10 5112 1 1 17 LYS HZ1 H -12.987 -6.667 4.360 1.00 . A A . 16 LYS HZ1 1 1
10 5113 1 1 17 LYS HZ2 H -11.863 -7.309 5.363 1.00 . A A . 16 LYS HZ2 1 1
10 5114 1 1 17 LYS HZ3 H -13.440 -7.766 5.492 1.00 . A A . 16 LYS HZ3 1 1
10 5115 1 1 17 LYS N N -7.766 -4.620 5.502 1.00 . A A . 16 LYS N 1 1
10 5116 1 1 17 LYS NZ N -12.820 -6.994 5.301 1.00 . A A . 16 LYS NZ 1 1
10 5117 1 1 17 LYS O O -7.371 -6.194 3.236 1.00 . A A . 16 LYS O 1 1
10 5118 1 1 18 NH2 HN1 H -7.788 -8.609 3.590 1.00 . A A . 17 NH2 HN1 1 1
10 5119 1 1 18 NH2 HN2 H -8.656 -8.364 5.088 1.00 . A A . 17 NH2 HN2 1 1
10 5120 1 1 18 NH2 N N -8.155 -7.990 4.297 1.00 . A A . 17 NH2 N 1 1
10 5121 2 1 1 ACE C C 12.639 5.696 -3.687 1.00 . B B . 0 ACE C 1 1
10 5122 2 1 1 ACE CH3 C 11.419 5.959 -2.829 1.00 . B B . 0 ACE CH3 1 1
10 5123 2 1 1 ACE H1 H 10.557 5.456 -3.268 1.00 . B B . 0 ACE H1 1 1
10 5124 2 1 1 ACE H2 H 11.584 5.575 -1.824 1.00 . B B . 0 ACE H2 1 1
10 5125 2 1 1 ACE H3 H 11.238 7.032 -2.777 1.00 . B B . 0 ACE H3 1 1
10 5126 2 1 1 ACE O O 12.501 5.448 -4.873 1.00 . B B . 0 ACE O 1 1
10 5127 2 1 2 ASP C C 15.276 4.238 -4.406 1.00 . B B . 1 ASP C 1 1
10 5128 2 1 2 ASP CA C 15.115 5.620 -3.764 1.00 . B B . 1 ASP CA 1 1
10 5129 2 1 2 ASP CB C 16.205 5.916 -2.733 1.00 . B B . 1 ASP CB 1 1
10 5130 2 1 2 ASP CG C 17.504 6.408 -3.342 1.00 . B B . 1 ASP CG 1 1
10 5131 2 1 2 ASP H H 13.862 5.933 -2.107 1.00 . B B . 1 ASP H 1 1
10 5132 2 1 2 ASP HA H 15.179 6.374 -4.545 1.00 . B B . 1 ASP HA 1 1
10 5133 2 1 2 ASP HB2 H 15.856 6.704 -2.062 1.00 . B B . 1 ASP HB2 1 1
10 5134 2 1 2 ASP HB3 H 16.401 5.026 -2.139 1.00 . B B . 1 ASP HB3 1 1
10 5135 2 1 2 ASP N N 13.830 5.752 -3.097 1.00 . B B . 1 ASP N 1 1
10 5136 2 1 2 ASP O O 14.691 3.268 -3.931 1.00 . B B . 1 ASP O 1 1
10 5137 2 1 2 ASP OD1 O 17.727 6.219 -4.560 1.00 . B B . 1 ASP OD1 1 1
10 5138 2 1 2 ASP OD2 O 18.281 6.989 -2.583 1.00 . B B . 1 ASP OD2 1 1
10 5139 2 1 3 ALA C C 16.722 1.768 -5.528 1.00 . B B . 2 ALA C 1 1
10 5140 2 1 3 ALA CA C 16.245 2.985 -6.321 1.00 . B B . 2 ALA CA 1 1
10 5141 2 1 3 ALA CB C 17.225 3.318 -7.449 1.00 . B B . 2 ALA CB 1 1
10 5142 2 1 3 ALA H H 16.566 4.998 -5.762 1.00 . B B . 2 ALA H 1 1
10 5143 2 1 3 ALA HA H 15.284 2.746 -6.768 1.00 . B B . 2 ALA HA 1 1
10 5144 2 1 3 ALA HB1 H 18.195 3.602 -7.042 1.00 . B B . 2 ALA HB1 1 1
10 5145 2 1 3 ALA HB2 H 17.352 2.448 -8.090 1.00 . B B . 2 ALA HB2 1 1
10 5146 2 1 3 ALA HB3 H 16.830 4.141 -8.042 1.00 . B B . 2 ALA HB3 1 1
10 5147 2 1 3 ALA N N 16.068 4.165 -5.483 1.00 . B B . 2 ALA N 1 1
10 5148 2 1 3 ALA O O 16.208 0.677 -5.741 1.00 . B B . 2 ALA O 1 1
10 5149 2 1 4 GLU C C 17.096 0.378 -2.701 1.00 . B B . 3 GLU C 1 1
10 5150 2 1 4 GLU CA C 18.148 0.984 -3.628 1.00 . B B . 3 GLU CA 1 1
10 5151 2 1 4 GLU CB C 19.252 1.643 -2.802 1.00 . B B . 3 GLU CB 1 1
10 5152 2 1 4 GLU CD C 19.954 3.683 -1.535 1.00 . B B . 3 GLU CD 1 1
10 5153 2 1 4 GLU CG C 18.771 2.869 -2.016 1.00 . B B . 3 GLU CG 1 1
10 5154 2 1 4 GLU H H 18.019 2.903 -4.490 1.00 . B B . 3 GLU H 1 1
10 5155 2 1 4 GLU HA H 18.589 0.167 -4.192 1.00 . B B . 3 GLU HA 1 1
10 5156 2 1 4 GLU HB2 H 19.682 0.921 -2.110 1.00 . B B . 3 GLU HB2 1 1
10 5157 2 1 4 GLU HB3 H 20.031 1.950 -3.493 1.00 . B B . 3 GLU HB3 1 1
10 5158 2 1 4 GLU HG2 H 18.160 3.512 -2.645 1.00 . B B . 3 GLU HG2 1 1
10 5159 2 1 4 GLU HG3 H 18.171 2.548 -1.162 1.00 . B B . 3 GLU HG3 1 1
10 5160 2 1 4 GLU N N 17.639 1.971 -4.578 1.00 . B B . 3 GLU N 1 1
10 5161 2 1 4 GLU O O 17.377 -0.654 -2.099 1.00 . B B . 3 GLU O 1 1
10 5162 2 1 4 GLU OE1 O 20.749 4.124 -2.395 1.00 . B B . 3 GLU OE1 1 1
10 5163 2 1 4 GLU OE2 O 20.083 3.878 -0.327 1.00 . B B . 3 GLU OE2 1 1
10 5164 2 1 5 PHE C C 13.728 -0.137 -2.919 1.00 . B B . 4 PHE C 1 1
10 5165 2 1 5 PHE CA C 14.752 0.387 -1.930 1.00 . B B . 4 PHE CA 1 1
10 5166 2 1 5 PHE CB C 14.089 1.409 -1.010 1.00 . B B . 4 PHE CB 1 1
10 5167 2 1 5 PHE CD1 C 15.819 1.237 0.810 1.00 . B B . 4 PHE CD1 1 1
10 5168 2 1 5 PHE CD2 C 15.279 3.431 -0.100 1.00 . B B . 4 PHE CD2 1 1
10 5169 2 1 5 PHE CE1 C 16.785 1.822 1.645 1.00 . B B . 4 PHE CE1 1 1
10 5170 2 1 5 PHE CE2 C 16.244 4.017 0.736 1.00 . B B . 4 PHE CE2 1 1
10 5171 2 1 5 PHE CG C 15.067 2.045 -0.058 1.00 . B B . 4 PHE CG 1 1
10 5172 2 1 5 PHE CZ C 16.996 3.213 1.611 1.00 . B B . 4 PHE CZ 1 1
10 5173 2 1 5 PHE H H 15.775 1.869 -3.052 1.00 . B B . 4 PHE H 1 1
10 5174 2 1 5 PHE HA H 15.078 -0.458 -1.329 1.00 . B B . 4 PHE HA 1 1
10 5175 2 1 5 PHE HB2 H 13.619 2.181 -1.621 1.00 . B B . 4 PHE HB2 1 1
10 5176 2 1 5 PHE HB3 H 13.312 0.912 -0.430 1.00 . B B . 4 PHE HB3 1 1
10 5177 2 1 5 PHE HD1 H 15.671 0.165 0.807 1.00 . B B . 4 PHE HD1 1 1
10 5178 2 1 5 PHE HD2 H 14.708 4.032 -0.791 1.00 . B B . 4 PHE HD2 1 1
10 5179 2 1 5 PHE HE1 H 17.378 1.200 2.293 1.00 . B B . 4 PHE HE1 1 1
10 5180 2 1 5 PHE HE2 H 16.411 5.083 0.697 1.00 . B B . 4 PHE HE2 1 1
10 5181 2 1 5 PHE HZ H 17.744 3.660 2.248 1.00 . B B . 4 PHE HZ 1 1
10 5182 2 1 5 PHE N N 15.908 0.981 -2.593 1.00 . B B . 4 PHE N 1 1
10 5183 2 1 5 PHE O O 12.981 -1.037 -2.546 1.00 . B B . 4 PHE O 1 1
10 5184 2 1 6 ARG C C 13.452 -1.448 -5.789 1.00 . B B . 5 ARG C 1 1
10 5185 2 1 6 ARG CA C 12.879 -0.126 -5.251 1.00 . B B . 5 ARG CA 1 1
10 5186 2 1 6 ARG CB C 12.738 0.939 -6.355 1.00 . B B . 5 ARG CB 1 1
10 5187 2 1 6 ARG CD C 10.689 2.060 -5.233 1.00 . B B . 5 ARG CD 1 1
10 5188 2 1 6 ARG CG C 12.030 2.242 -5.948 1.00 . B B . 5 ARG CG 1 1
10 5189 2 1 6 ARG CZ C 8.577 1.844 -6.568 1.00 . B B . 5 ARG CZ 1 1
10 5190 2 1 6 ARG H H 14.331 1.136 -4.380 1.00 . B B . 5 ARG H 1 1
10 5191 2 1 6 ARG HA H 11.891 -0.346 -4.851 1.00 . B B . 5 ARG HA 1 1
10 5192 2 1 6 ARG HB2 H 13.734 1.182 -6.717 1.00 . B B . 5 ARG HB2 1 1
10 5193 2 1 6 ARG HB3 H 12.180 0.512 -7.186 1.00 . B B . 5 ARG HB3 1 1
10 5194 2 1 6 ARG HD2 H 10.850 1.488 -4.326 1.00 . B B . 5 ARG HD2 1 1
10 5195 2 1 6 ARG HD3 H 10.304 3.034 -4.934 1.00 . B B . 5 ARG HD3 1 1
10 5196 2 1 6 ARG HE H 9.816 0.338 -6.089 1.00 . B B . 5 ARG HE 1 1
10 5197 2 1 6 ARG HG2 H 12.683 2.800 -5.288 1.00 . B B . 5 ARG HG2 1 1
10 5198 2 1 6 ARG HG3 H 11.868 2.844 -6.841 1.00 . B B . 5 ARG HG3 1 1
10 5199 2 1 6 ARG HH11 H 9.060 3.801 -6.322 1.00 . B B . 5 ARG HH11 1 1
10 5200 2 1 6 ARG HH12 H 7.482 3.502 -7.011 1.00 . B B . 5 ARG HH12 1 1
10 5201 2 1 6 ARG HH21 H 7.758 0.017 -6.930 1.00 . B B . 5 ARG HH21 1 1
10 5202 2 1 6 ARG HH22 H 6.754 1.390 -7.334 1.00 . B B . 5 ARG HH22 1 1
10 5203 2 1 6 ARG N N 13.699 0.380 -4.157 1.00 . B B . 5 ARG N 1 1
10 5204 2 1 6 ARG NE N 9.701 1.340 -6.047 1.00 . B B . 5 ARG NE 1 1
10 5205 2 1 6 ARG NH1 N 8.352 3.153 -6.634 1.00 . B B . 5 ARG NH1 1 1
10 5206 2 1 6 ARG NH2 N 7.637 1.015 -7.019 1.00 . B B . 5 ARG NH2 1 1
10 5207 2 1 6 ARG O O 13.632 -1.610 -6.992 1.00 . B B . 5 ARG O 1 1
10 5208 2 1 7 ARG C C 13.173 -4.719 -5.149 1.00 . B B . 6 ARG C 1 1
10 5209 2 1 7 ARG CA C 14.303 -3.698 -5.055 1.00 . B B . 6 ARG CA 1 1
10 5210 2 1 7 ARG CB C 15.183 -4.040 -3.843 1.00 . B B . 6 ARG CB 1 1
10 5211 2 1 7 ARG CD C 17.400 -3.027 -4.714 1.00 . B B . 6 ARG CD 1 1
10 5212 2 1 7 ARG CG C 16.347 -3.076 -3.601 1.00 . B B . 6 ARG CG 1 1
10 5213 2 1 7 ARG CZ C 17.238 -2.177 -7.083 1.00 . B B . 6 ARG CZ 1 1
10 5214 2 1 7 ARG H H 13.611 -2.116 -3.909 1.00 . B B . 6 ARG H 1 1
10 5215 2 1 7 ARG HA H 14.902 -3.719 -5.959 1.00 . B B . 6 ARG HA 1 1
10 5216 2 1 7 ARG HB2 H 14.557 -4.035 -2.948 1.00 . B B . 6 ARG HB2 1 1
10 5217 2 1 7 ARG HB3 H 15.591 -5.042 -3.959 1.00 . B B . 6 ARG HB3 1 1
10 5218 2 1 7 ARG HD2 H 18.342 -2.701 -4.275 1.00 . B B . 6 ARG HD2 1 1
10 5219 2 1 7 ARG HD3 H 17.538 -4.025 -5.122 1.00 . B B . 6 ARG HD3 1 1
10 5220 2 1 7 ARG HE H 16.622 -1.204 -5.437 1.00 . B B . 6 ARG HE 1 1
10 5221 2 1 7 ARG HG2 H 15.935 -2.082 -3.452 1.00 . B B . 6 ARG HG2 1 1
10 5222 2 1 7 ARG HG3 H 16.844 -3.381 -2.680 1.00 . B B . 6 ARG HG3 1 1
10 5223 2 1 7 ARG HH11 H 18.198 -3.967 -7.049 1.00 . B B . 6 ARG HH11 1 1
10 5224 2 1 7 ARG HH12 H 17.998 -3.251 -8.632 1.00 . B B . 6 ARG HH12 1 1
10 5225 2 1 7 ARG HH21 H 16.350 -0.397 -7.515 1.00 . B B . 6 ARG HH21 1 1
10 5226 2 1 7 ARG HH22 H 16.990 -1.274 -8.885 1.00 . B B . 6 ARG HH22 1 1
10 5227 2 1 7 ARG N N 13.760 -2.369 -4.871 1.00 . B B . 6 ARG N 1 1
10 5228 2 1 7 ARG NE N 17.038 -2.065 -5.762 1.00 . B B . 6 ARG NE 1 1
10 5229 2 1 7 ARG NH1 N 17.850 -3.224 -7.633 1.00 . B B . 6 ARG NH1 1 1
10 5230 2 1 7 ARG NH2 N 16.824 -1.205 -7.892 1.00 . B B . 6 ARG NH2 1 1
10 5231 2 1 7 ARG O O 12.059 -4.480 -4.682 1.00 . B B . 6 ARG O 1 1
10 5232 2 1 8 ASP C C 12.206 -7.663 -4.501 1.00 . B B . 7 ASP C 1 1
10 5233 2 1 8 ASP CA C 12.563 -6.993 -5.840 1.00 . B B . 7 ASP CA 1 1
10 5234 2 1 8 ASP CB C 13.165 -8.001 -6.817 1.00 . B B . 7 ASP CB 1 1
10 5235 2 1 8 ASP CG C 12.122 -9.040 -7.173 1.00 . B B . 7 ASP CG 1 1
10 5236 2 1 8 ASP H H 14.435 -6.036 -6.031 1.00 . B B . 7 ASP H 1 1
10 5237 2 1 8 ASP HA H 11.646 -6.598 -6.277 1.00 . B B . 7 ASP HA 1 1
10 5238 2 1 8 ASP HB2 H 13.485 -7.498 -7.730 1.00 . B B . 7 ASP HB2 1 1
10 5239 2 1 8 ASP HB3 H 14.031 -8.489 -6.366 1.00 . B B . 7 ASP HB3 1 1
10 5240 2 1 8 ASP N N 13.493 -5.890 -5.698 1.00 . B B . 7 ASP N 1 1
10 5241 2 1 8 ASP O O 11.142 -8.257 -4.403 1.00 . B B . 7 ASP O 1 1
10 5242 2 1 8 ASP OD1 O 11.116 -8.665 -7.814 1.00 . B B . 7 ASP OD1 1 1
10 5243 2 1 8 ASP OD2 O 12.303 -10.194 -6.775 1.00 . B B . 7 ASP OD2 1 1
10 5244 2 1 9 SER C C 11.613 -7.719 -1.390 1.00 . B B . 8 SER C 1 1
10 5245 2 1 9 SER CA C 12.876 -8.148 -2.144 1.00 . B B . 8 SER CA 1 1
10 5246 2 1 9 SER CB C 14.065 -7.749 -1.272 1.00 . B B . 8 SER CB 1 1
10 5247 2 1 9 SER H H 13.958 -7.145 -3.646 1.00 . B B . 8 SER H 1 1
10 5248 2 1 9 SER HA H 12.861 -9.232 -2.254 1.00 . B B . 8 SER HA 1 1
10 5249 2 1 9 SER HB2 H 14.172 -6.663 -1.289 1.00 . B B . 8 SER HB2 1 1
10 5250 2 1 9 SER HB3 H 13.885 -8.068 -0.249 1.00 . B B . 8 SER HB3 1 1
10 5251 2 1 9 SER HG H 15.173 -9.308 -1.557 1.00 . B B . 8 SER HG 1 1
10 5252 2 1 9 SER N N 13.054 -7.556 -3.470 1.00 . B B . 8 SER N 1 1
10 5253 2 1 9 SER O O 11.303 -8.329 -0.370 1.00 . B B . 8 SER O 1 1
10 5254 2 1 9 SER OG O 15.252 -8.361 -1.715 1.00 . B B . 8 SER OG 1 1
10 5255 2 1 10 GLY C C 8.692 -6.193 -2.555 1.00 . B B . 9 GLY C 1 1
10 5256 2 1 10 GLY CA C 9.606 -6.300 -1.336 1.00 . B B . 9 GLY CA 1 1
10 5257 2 1 10 GLY H H 11.187 -6.216 -2.697 1.00 . B B . 9 GLY H 1 1
10 5258 2 1 10 GLY HA2 H 9.211 -7.025 -0.626 1.00 . B B . 9 GLY HA2 1 1
10 5259 2 1 10 GLY HA3 H 9.718 -5.348 -0.825 1.00 . B B . 9 GLY HA3 1 1
10 5260 2 1 10 GLY N N 10.904 -6.683 -1.846 1.00 . B B . 9 GLY N 1 1
10 5261 2 1 10 GLY O O 8.587 -7.145 -3.323 1.00 . B B . 9 GLY O 1 1
10 5262 2 1 11 TYR C C 6.844 -2.977 -2.329 1.00 . B B . 10 TYR C 1 1
10 5263 2 1 11 TYR CA C 8.027 -3.869 -1.972 1.00 . B B . 10 TYR CA 1 1
10 5264 2 1 11 TYR CB C 9.327 -3.085 -2.194 1.00 . B B . 10 TYR CB 1 1
10 5265 2 1 11 TYR CD1 C 9.474 -2.182 0.186 1.00 . B B . 10 TYR CD1 1 1
10 5266 2 1 11 TYR CD2 C 11.490 -2.952 -0.933 1.00 . B B . 10 TYR CD2 1 1
10 5267 2 1 11 TYR CE1 C 10.226 -1.793 1.298 1.00 . B B . 10 TYR CE1 1 1
10 5268 2 1 11 TYR CE2 C 12.260 -2.532 0.164 1.00 . B B . 10 TYR CE2 1 1
10 5269 2 1 11 TYR CG C 10.103 -2.745 -0.941 1.00 . B B . 10 TYR CG 1 1
10 5270 2 1 11 TYR CZ C 11.626 -1.940 1.282 1.00 . B B . 10 TYR CZ 1 1
10 5271 2 1 11 TYR H H 7.646 -4.938 -3.712 1.00 . B B . 10 TYR H 1 1
10 5272 2 1 11 TYR HA H 7.944 -4.168 -0.928 1.00 . B B . 10 TYR HA 1 1
10 5273 2 1 11 TYR HB2 H 9.985 -3.642 -2.857 1.00 . B B . 10 TYR HB2 1 1
10 5274 2 1 11 TYR HB3 H 9.096 -2.164 -2.726 1.00 . B B . 10 TYR HB3 1 1
10 5275 2 1 11 TYR HD1 H 8.414 -2.024 0.210 1.00 . B B . 10 TYR HD1 1 1
10 5276 2 1 11 TYR HD2 H 11.972 -3.402 -1.789 1.00 . B B . 10 TYR HD2 1 1
10 5277 2 1 11 TYR HE1 H 9.731 -1.372 2.157 1.00 . B B . 10 TYR HE1 1 1
10 5278 2 1 11 TYR HE2 H 13.327 -2.682 0.146 1.00 . B B . 10 TYR HE2 1 1
10 5279 2 1 11 TYR HH H 13.290 -1.673 2.250 1.00 . B B . 10 TYR HH 1 1
10 5280 2 1 11 TYR N N 8.037 -5.057 -2.797 1.00 . B B . 10 TYR N 1 1
10 5281 2 1 11 TYR O O 6.288 -3.054 -3.419 1.00 . B B . 10 TYR O 1 1
10 5282 2 1 11 TYR OH O 12.345 -1.525 2.358 1.00 . B B . 10 TYR OH 1 1
10 5283 2 1 12 GLU C C 6.378 0.254 -0.815 1.00 . B B . 11 GLU C 1 1
10 5284 2 1 12 GLU CA C 5.732 -0.887 -1.624 1.00 . B B . 11 GLU CA 1 1
10 5285 2 1 12 GLU CB C 4.324 -1.252 -1.183 1.00 . B B . 11 GLU CB 1 1
10 5286 2 1 12 GLU CD C 2.144 -0.141 -0.556 1.00 . B B . 11 GLU CD 1 1
10 5287 2 1 12 GLU CG C 3.285 -0.199 -1.558 1.00 . B B . 11 GLU CG 1 1
10 5288 2 1 12 GLU H H 6.958 -2.143 -0.501 1.00 . B B . 11 GLU H 1 1
10 5289 2 1 12 GLU HA H 5.726 -0.642 -2.685 1.00 . B B . 11 GLU HA 1 1
10 5290 2 1 12 GLU HB2 H 4.034 -2.195 -1.647 1.00 . B B . 11 GLU HB2 1 1
10 5291 2 1 12 GLU HB3 H 4.357 -1.396 -0.105 1.00 . B B . 11 GLU HB3 1 1
10 5292 2 1 12 GLU HG2 H 3.751 0.787 -1.594 1.00 . B B . 11 GLU HG2 1 1
10 5293 2 1 12 GLU HG3 H 2.886 -0.425 -2.545 1.00 . B B . 11 GLU HG3 1 1
10 5294 2 1 12 GLU N N 6.548 -2.056 -1.417 1.00 . B B . 11 GLU N 1 1
10 5295 2 1 12 GLU O O 5.816 0.744 0.165 1.00 . B B . 11 GLU O 1 1
10 5296 2 1 12 GLU OE1 O 1.950 -1.096 0.229 1.00 . B B . 11 GLU OE1 1 1
10 5297 2 1 12 GLU OE2 O 1.475 0.893 -0.518 1.00 . B B . 11 GLU OE2 1 1
10 5298 2 1 13 VAL C C 7.976 2.797 -0.064 1.00 . B B . 12 VAL C 1 1
10 5299 2 1 13 VAL CA C 8.571 1.497 -0.570 1.00 . B B . 12 VAL CA 1 1
10 5300 2 1 13 VAL CB C 9.717 1.826 -1.551 1.00 . B B . 12 VAL CB 1 1
10 5301 2 1 13 VAL CG1 C 10.647 2.962 -1.088 1.00 . B B . 12 VAL CG1 1 1
10 5302 2 1 13 VAL CG2 C 10.600 0.597 -1.724 1.00 . B B . 12 VAL CG2 1 1
10 5303 2 1 13 VAL H H 7.942 0.173 -2.063 1.00 . B B . 12 VAL H 1 1
10 5304 2 1 13 VAL HA H 9.010 0.968 0.271 1.00 . B B . 12 VAL HA 1 1
10 5305 2 1 13 VAL HB H 9.297 2.107 -2.518 1.00 . B B . 12 VAL HB 1 1
10 5306 2 1 13 VAL HG11 H 11.060 2.730 -0.104 1.00 . B B . 12 VAL HG11 1 1
10 5307 2 1 13 VAL HG12 H 11.461 3.089 -1.800 1.00 . B B . 12 VAL HG12 1 1
10 5308 2 1 13 VAL HG13 H 10.101 3.903 -1.041 1.00 . B B . 12 VAL HG13 1 1
10 5309 2 1 13 VAL HG21 H 10.041 -0.207 -2.190 1.00 . B B . 12 VAL HG21 1 1
10 5310 2 1 13 VAL HG22 H 11.421 0.870 -2.375 1.00 . B B . 12 VAL HG22 1 1
10 5311 2 1 13 VAL HG23 H 10.993 0.272 -0.761 1.00 . B B . 12 VAL HG23 1 1
10 5312 2 1 13 VAL N N 7.604 0.614 -1.222 1.00 . B B . 12 VAL N 1 1
10 5313 2 1 13 VAL O O 8.460 3.299 0.946 1.00 . B B . 12 VAL O 1 1
10 5314 2 1 14 HIS C C 5.882 4.828 0.945 1.00 . B B . 13 HIS C 1 1
10 5315 2 1 14 HIS CA C 6.540 4.715 -0.436 1.00 . B B . 13 HIS CA 1 1
10 5316 2 1 14 HIS CB C 5.649 5.278 -1.545 1.00 . B B . 13 HIS CB 1 1
10 5317 2 1 14 HIS CD2 C 3.378 4.098 -1.848 1.00 . B B . 13 HIS CD2 1 1
10 5318 2 1 14 HIS CE1 C 2.127 5.379 -0.579 1.00 . B B . 13 HIS CE1 1 1
10 5319 2 1 14 HIS CG C 4.171 5.083 -1.329 1.00 . B B . 13 HIS CG 1 1
10 5320 2 1 14 HIS H H 6.624 2.924 -1.587 1.00 . B B . 13 HIS H 1 1
10 5321 2 1 14 HIS HA H 7.449 5.314 -0.411 1.00 . B B . 13 HIS HA 1 1
10 5322 2 1 14 HIS HB2 H 5.836 6.347 -1.572 1.00 . B B . 13 HIS HB2 1 1
10 5323 2 1 14 HIS HB3 H 5.948 4.873 -2.510 1.00 . B B . 13 HIS HB3 1 1
10 5324 2 1 14 HIS HD1 H 3.671 6.673 -0.001 1.00 . B B . 13 HIS HD1 1 1
10 5325 2 1 14 HIS HD2 H 3.697 3.304 -2.506 1.00 . B B . 13 HIS HD2 1 1
10 5326 2 1 14 HIS HE1 H 1.283 5.795 -0.050 1.00 . B B . 13 HIS HE1 1 1
10 5327 2 1 14 HIS N N 6.982 3.369 -0.753 1.00 . B B . 13 HIS N 1 1
10 5328 2 1 14 HIS ND1 N 3.368 5.873 -0.540 1.00 . B B . 13 HIS ND1 1 1
10 5329 2 1 14 HIS NE2 N 2.079 4.299 -1.371 1.00 . B B . 13 HIS NE2 1 1
10 5330 2 1 14 HIS O O 5.715 5.943 1.428 1.00 . B B . 13 HIS O 1 1
10 5331 2 1 15 HIS C C 5.459 2.418 3.757 1.00 . B B . 14 HIS C 1 1
10 5332 2 1 15 HIS CA C 5.168 3.729 3.008 1.00 . B B . 14 HIS CA 1 1
10 5333 2 1 15 HIS CB C 3.709 4.174 3.175 1.00 . B B . 14 HIS CB 1 1
10 5334 2 1 15 HIS CD2 C 2.308 2.415 1.968 1.00 . B B . 14 HIS CD2 1 1
10 5335 2 1 15 HIS CE1 C 1.397 1.410 3.698 1.00 . B B . 14 HIS CE1 1 1
10 5336 2 1 15 HIS CG C 2.732 3.044 3.096 1.00 . B B . 14 HIS CG 1 1
10 5337 2 1 15 HIS H H 5.658 2.814 1.138 1.00 . B B . 14 HIS H 1 1
10 5338 2 1 15 HIS HA H 5.786 4.492 3.477 1.00 . B B . 14 HIS HA 1 1
10 5339 2 1 15 HIS HB2 H 3.605 4.630 4.155 1.00 . B B . 14 HIS HB2 1 1
10 5340 2 1 15 HIS HB3 H 3.444 4.921 2.429 1.00 . B B . 14 HIS HB3 1 1
10 5341 2 1 15 HIS HD1 H 2.323 2.608 5.135 1.00 . B B . 14 HIS HD1 1 1
10 5342 2 1 15 HIS HD2 H 2.594 2.662 0.956 1.00 . B B . 14 HIS HD2 1 1
10 5343 2 1 15 HIS HE1 H 0.841 0.713 4.307 1.00 . B B . 14 HIS HE1 1 1
10 5344 2 1 15 HIS N N 5.537 3.708 1.597 1.00 . B B . 14 HIS N 1 1
10 5345 2 1 15 HIS ND1 N 2.163 2.397 4.165 1.00 . B B . 14 HIS ND1 1 1
10 5346 2 1 15 HIS NE2 N 1.468 1.378 2.365 1.00 . B B . 14 HIS NE2 1 1
10 5347 2 1 15 HIS O O 5.304 2.393 4.975 1.00 . B B . 14 HIS O 1 1
10 5348 2 1 16 GLN C C 7.871 0.138 3.871 1.00 . B B . 15 GLN C 1 1
10 5349 2 1 16 GLN CA C 6.345 0.120 3.715 1.00 . B B . 15 GLN CA 1 1
10 5350 2 1 16 GLN CB C 5.902 -1.113 2.927 1.00 . B B . 15 GLN CB 1 1
10 5351 2 1 16 GLN CD C 3.593 -1.465 3.968 1.00 . B B . 15 GLN CD 1 1
10 5352 2 1 16 GLN CG C 4.392 -1.249 2.685 1.00 . B B . 15 GLN CG 1 1
10 5353 2 1 16 GLN H H 5.931 1.369 2.071 1.00 . B B . 15 GLN H 1 1
10 5354 2 1 16 GLN HA H 5.904 0.056 4.706 1.00 . B B . 15 GLN HA 1 1
10 5355 2 1 16 GLN HB2 H 6.421 -1.115 1.970 1.00 . B B . 15 GLN HB2 1 1
10 5356 2 1 16 GLN HB3 H 6.217 -1.986 3.486 1.00 . B B . 15 GLN HB3 1 1
10 5357 2 1 16 GLN HE21 H 3.270 -3.420 3.544 1.00 . B B . 15 GLN HE21 1 1
10 5358 2 1 16 GLN HE22 H 2.550 -2.851 5.032 1.00 . B B . 15 GLN HE22 1 1
10 5359 2 1 16 GLN HG2 H 4.013 -0.366 2.172 1.00 . B B . 15 GLN HG2 1 1
10 5360 2 1 16 GLN HG3 H 4.237 -2.105 2.032 1.00 . B B . 15 GLN HG3 1 1
10 5361 2 1 16 GLN N N 5.880 1.343 3.076 1.00 . B B . 15 GLN N 1 1
10 5362 2 1 16 GLN NE2 N 3.099 -2.676 4.203 1.00 . B B . 15 GLN NE2 1 1
10 5363 2 1 16 GLN O O 8.571 0.872 3.176 1.00 . B B . 15 GLN O 1 1
10 5364 2 1 16 GLN OE1 O 3.410 -0.544 4.750 1.00 . B B . 15 GLN OE1 1 1
10 5365 2 1 17 LYS C C 10.439 -1.978 5.369 1.00 . B B . 16 LYS C 1 1
10 5366 2 1 17 LYS CA C 9.742 -0.605 5.321 1.00 . B B . 16 LYS CA 1 1
10 5367 2 1 17 LYS CB C 9.684 0.074 6.703 1.00 . B B . 16 LYS CB 1 1
10 5368 2 1 17 LYS CD C 9.495 2.322 7.892 1.00 . B B . 16 LYS CD 1 1
10 5369 2 1 17 LYS CE C 8.793 1.792 9.145 1.00 . B B . 16 LYS CE 1 1
10 5370 2 1 17 LYS CG C 9.195 1.529 6.616 1.00 . B B . 16 LYS CG 1 1
10 5371 2 1 17 LYS H H 7.751 -1.308 5.273 1.00 . B B . 16 LYS H 1 1
10 5372 2 1 17 LYS HA H 10.339 0.021 4.663 1.00 . B B . 16 LYS HA 1 1
10 5373 2 1 17 LYS HB2 H 9.026 -0.492 7.363 1.00 . B B . 16 LYS HB2 1 1
10 5374 2 1 17 LYS HB3 H 10.682 0.083 7.132 1.00 . B B . 16 LYS HB3 1 1
10 5375 2 1 17 LYS HD2 H 10.568 2.300 8.063 1.00 . B B . 16 LYS HD2 1 1
10 5376 2 1 17 LYS HD3 H 9.210 3.362 7.736 1.00 . B B . 16 LYS HD3 1 1
10 5377 2 1 17 LYS HE2 H 8.922 0.712 9.224 1.00 . B B . 16 LYS HE2 1 1
10 5378 2 1 17 LYS HE3 H 9.240 2.264 10.015 1.00 . B B . 16 LYS HE3 1 1
10 5379 2 1 17 LYS HG2 H 9.707 2.025 5.791 1.00 . B B . 16 LYS HG2 1 1
10 5380 2 1 17 LYS HG3 H 8.125 1.548 6.413 1.00 . B B . 16 LYS HG3 1 1
10 5381 2 1 17 LYS HZ1 H 6.890 1.619 8.415 1.00 . B B . 16 LYS HZ1 1 1
10 5382 2 1 17 LYS HZ2 H 6.954 1.887 10.036 1.00 . B B . 16 LYS HZ2 1 1
10 5383 2 1 17 LYS HZ3 H 7.245 3.115 8.985 1.00 . B B . 16 LYS HZ3 1 1
10 5384 2 1 17 LYS N N 8.382 -0.685 4.793 1.00 . B B . 16 LYS N 1 1
10 5385 2 1 17 LYS NZ N 7.366 2.124 9.146 1.00 . B B . 16 LYS NZ 1 1
10 5386 2 1 17 LYS O O 9.905 -2.984 4.918 1.00 . B B . 16 LYS O 1 1
10 5387 2 1 18 NH2 HN1 H 12.090 -1.222 6.290 1.00 . B B . 17 NH2 HN1 1 1
10 5388 2 1 18 NH2 HN2 H 12.142 -2.932 5.920 1.00 . B B . 17 NH2 HN2 1 1
10 5389 2 1 18 NH2 N N 11.661 -2.045 5.896 1.00 . B B . 17 NH2 N 1 1
10 5390 3 2 1 ZN ZN ZN 0.570 0.016 1.114 1.00 . C A . 101 ZN ZN 1 1
11 5391 1 1 1 ACE C C -12.451 -4.136 -2.132 1.00 . A A . 0 ACE C 1 1
11 5392 1 1 1 ACE CH3 C -10.934 -4.160 -2.134 1.00 . A A . 0 ACE CH3 1 1
11 5393 1 1 1 ACE H1 H -10.580 -5.187 -2.235 1.00 . A A . 0 ACE H1 1 1
11 5394 1 1 1 ACE H2 H -10.570 -3.572 -2.974 1.00 . A A . 0 ACE H2 1 1
11 5395 1 1 1 ACE H3 H -10.563 -3.740 -1.202 1.00 . A A . 0 ACE H3 1 1
11 5396 1 1 1 ACE O O -13.066 -5.172 -2.360 1.00 . A A . 0 ACE O 1 1
11 5397 1 1 2 ASP C C -14.801 -1.276 -2.059 1.00 . A A . 1 ASP C 1 1
11 5398 1 1 2 ASP CA C -14.494 -2.759 -1.870 1.00 . A A . 1 ASP CA 1 1
11 5399 1 1 2 ASP CB C -15.105 -3.240 -0.546 1.00 . A A . 1 ASP CB 1 1
11 5400 1 1 2 ASP CG C -16.572 -3.611 -0.688 1.00 . A A . 1 ASP CG 1 1
11 5401 1 1 2 ASP H H -12.473 -2.152 -1.712 1.00 . A A . 1 ASP H 1 1
11 5402 1 1 2 ASP HA H -14.935 -3.324 -2.693 1.00 . A A . 1 ASP HA 1 1
11 5403 1 1 2 ASP HB2 H -14.571 -4.111 -0.180 1.00 . A A . 1 ASP HB2 1 1
11 5404 1 1 2 ASP HB3 H -15.025 -2.445 0.192 1.00 . A A . 1 ASP HB3 1 1
11 5405 1 1 2 ASP N N -13.047 -2.966 -1.878 1.00 . A A . 1 ASP N 1 1
11 5406 1 1 2 ASP O O -14.032 -0.425 -1.615 1.00 . A A . 1 ASP O 1 1
11 5407 1 1 2 ASP OD1 O -17.377 -2.697 -0.954 1.00 . A A . 1 ASP OD1 1 1
11 5408 1 1 2 ASP OD2 O -16.876 -4.806 -0.517 1.00 . A A . 1 ASP OD2 1 1
11 5409 1 1 3 ALA C C -16.585 1.092 -1.521 1.00 . A A . 2 ALA C 1 1
11 5410 1 1 3 ALA CA C -16.455 0.367 -2.856 1.00 . A A . 2 ALA CA 1 1
11 5411 1 1 3 ALA CB C -17.816 0.322 -3.559 1.00 . A A . 2 ALA CB 1 1
11 5412 1 1 3 ALA H H -16.536 -1.737 -3.003 1.00 . A A . 2 ALA H 1 1
11 5413 1 1 3 ALA HA H -15.741 0.895 -3.476 1.00 . A A . 2 ALA HA 1 1
11 5414 1 1 3 ALA HB1 H -18.208 1.336 -3.658 1.00 . A A . 2 ALA HB1 1 1
11 5415 1 1 3 ALA HB2 H -17.713 -0.116 -4.548 1.00 . A A . 2 ALA HB2 1 1
11 5416 1 1 3 ALA HB3 H -18.518 -0.272 -2.973 1.00 . A A . 2 ALA HB3 1 1
11 5417 1 1 3 ALA N N -15.950 -0.981 -2.681 1.00 . A A . 2 ALA N 1 1
11 5418 1 1 3 ALA O O -16.146 2.232 -1.408 1.00 . A A . 2 ALA O 1 1
11 5419 1 1 4 GLU C C -16.118 1.297 1.599 1.00 . A A . 3 GLU C 1 1
11 5420 1 1 4 GLU CA C -17.384 1.007 0.800 1.00 . A A . 3 GLU CA 1 1
11 5421 1 1 4 GLU CB C -18.331 0.122 1.605 1.00 . A A . 3 GLU CB 1 1
11 5422 1 1 4 GLU CD C -18.542 -1.887 3.065 1.00 . A A . 3 GLU CD 1 1
11 5423 1 1 4 GLU CG C -17.641 -1.146 2.108 1.00 . A A . 3 GLU CG 1 1
11 5424 1 1 4 GLU H H -17.441 -0.534 -0.657 1.00 . A A . 3 GLU H 1 1
11 5425 1 1 4 GLU HA H -17.870 1.961 0.635 1.00 . A A . 3 GLU HA 1 1
11 5426 1 1 4 GLU HB2 H -18.695 0.697 2.455 1.00 . A A . 3 GLU HB2 1 1
11 5427 1 1 4 GLU HB3 H -19.187 -0.151 0.992 1.00 . A A . 3 GLU HB3 1 1
11 5428 1 1 4 GLU HG2 H -17.393 -1.771 1.258 1.00 . A A . 3 GLU HG2 1 1
11 5429 1 1 4 GLU HG3 H -16.721 -0.915 2.637 1.00 . A A . 3 GLU HG3 1 1
11 5430 1 1 4 GLU N N -17.135 0.417 -0.505 1.00 . A A . 3 GLU N 1 1
11 5431 1 1 4 GLU O O -16.223 1.942 2.633 1.00 . A A . 3 GLU O 1 1
11 5432 1 1 4 GLU OE1 O -18.635 -1.418 4.220 1.00 . A A . 3 GLU OE1 1 1
11 5433 1 1 4 GLU OE2 O -19.142 -2.887 2.662 1.00 . A A . 3 GLU OE2 1 1
11 5434 1 1 5 PHE C C -12.913 2.146 0.786 1.00 . A A . 4 PHE C 1 1
11 5435 1 1 5 PHE CA C -13.660 1.190 1.706 1.00 . A A . 4 PHE CA 1 1
11 5436 1 1 5 PHE CB C -12.841 -0.071 1.968 1.00 . A A . 4 PHE CB 1 1
11 5437 1 1 5 PHE CD1 C -14.208 -0.705 4.014 1.00 . A A . 4 PHE CD1 1 1
11 5438 1 1 5 PHE CD2 C -13.614 -2.434 2.410 1.00 . A A . 4 PHE CD2 1 1
11 5439 1 1 5 PHE CE1 C -14.933 -1.649 4.759 1.00 . A A . 4 PHE CE1 1 1
11 5440 1 1 5 PHE CE2 C -14.349 -3.375 3.150 1.00 . A A . 4 PHE CE2 1 1
11 5441 1 1 5 PHE CG C -13.560 -1.093 2.827 1.00 . A A . 4 PHE CG 1 1
11 5442 1 1 5 PHE CZ C -15.009 -2.984 4.327 1.00 . A A . 4 PHE CZ 1 1
11 5443 1 1 5 PHE H H -14.964 0.202 0.354 1.00 . A A . 4 PHE H 1 1
11 5444 1 1 5 PHE HA H -13.804 1.712 2.648 1.00 . A A . 4 PHE HA 1 1
11 5445 1 1 5 PHE HB2 H -12.590 -0.522 1.007 1.00 . A A . 4 PHE HB2 1 1
11 5446 1 1 5 PHE HB3 H -11.914 0.217 2.462 1.00 . A A . 4 PHE HB3 1 1
11 5447 1 1 5 PHE HD1 H -14.170 0.324 4.344 1.00 . A A . 4 PHE HD1 1 1
11 5448 1 1 5 PHE HD2 H -13.113 -2.734 1.502 1.00 . A A . 4 PHE HD2 1 1
11 5449 1 1 5 PHE HE1 H -15.435 -1.344 5.663 1.00 . A A . 4 PHE HE1 1 1
11 5450 1 1 5 PHE HE2 H -14.416 -4.393 2.801 1.00 . A A . 4 PHE HE2 1 1
11 5451 1 1 5 PHE HZ H -15.573 -3.707 4.899 1.00 . A A . 4 PHE HZ 1 1
11 5452 1 1 5 PHE N N -14.954 0.817 1.154 1.00 . A A . 4 PHE N 1 1
11 5453 1 1 5 PHE O O -12.095 2.919 1.269 1.00 . A A . 4 PHE O 1 1
11 5454 1 1 6 ARG C C -13.593 4.476 -1.264 1.00 . A A . 5 ARG C 1 1
11 5455 1 1 6 ARG CA C -12.797 3.173 -1.462 1.00 . A A . 5 ARG CA 1 1
11 5456 1 1 6 ARG CB C -12.885 2.595 -2.884 1.00 . A A . 5 ARG CB 1 1
11 5457 1 1 6 ARG CD C -10.353 2.097 -3.071 1.00 . A A . 5 ARG CD 1 1
11 5458 1 1 6 ARG CG C -11.787 1.568 -3.214 1.00 . A A . 5 ARG CG 1 1
11 5459 1 1 6 ARG CZ C -9.096 3.824 -4.376 1.00 . A A . 5 ARG CZ 1 1
11 5460 1 1 6 ARG H H -13.913 1.493 -0.848 1.00 . A A . 5 ARG H 1 1
11 5461 1 1 6 ARG HA H -11.756 3.415 -1.254 1.00 . A A . 5 ARG HA 1 1
11 5462 1 1 6 ARG HB2 H -13.859 2.125 -3.016 1.00 . A A . 5 ARG HB2 1 1
11 5463 1 1 6 ARG HB3 H -12.808 3.402 -3.609 1.00 . A A . 5 ARG HB3 1 1
11 5464 1 1 6 ARG HD2 H -10.103 2.198 -2.017 1.00 . A A . 5 ARG HD2 1 1
11 5465 1 1 6 ARG HD3 H -9.673 1.371 -3.513 1.00 . A A . 5 ARG HD3 1 1
11 5466 1 1 6 ARG HE H -10.948 4.051 -3.614 1.00 . A A . 5 ARG HE 1 1
11 5467 1 1 6 ARG HG2 H -11.893 0.694 -2.576 1.00 . A A . 5 ARG HG2 1 1
11 5468 1 1 6 ARG HG3 H -11.932 1.249 -4.246 1.00 . A A . 5 ARG HG3 1 1
11 5469 1 1 6 ARG HH11 H -7.989 2.133 -4.131 1.00 . A A . 5 ARG HH11 1 1
11 5470 1 1 6 ARG HH12 H -7.227 3.401 -5.058 1.00 . A A . 5 ARG HH12 1 1
11 5471 1 1 6 ARG HH21 H -9.915 5.630 -4.821 1.00 . A A . 5 ARG HH21 1 1
11 5472 1 1 6 ARG HH22 H -8.305 5.357 -5.449 1.00 . A A . 5 ARG HH22 1 1
11 5473 1 1 6 ARG N N -13.234 2.161 -0.512 1.00 . A A . 5 ARG N 1 1
11 5474 1 1 6 ARG NE N -10.179 3.403 -3.713 1.00 . A A . 5 ARG NE 1 1
11 5475 1 1 6 ARG NH1 N -8.014 3.061 -4.527 1.00 . A A . 5 ARG NH1 1 1
11 5476 1 1 6 ARG NH2 N -9.100 5.042 -4.910 1.00 . A A . 5 ARG NH2 1 1
11 5477 1 1 6 ARG O O -14.025 5.095 -2.229 1.00 . A A . 5 ARG O 1 1
11 5478 1 1 7 ARG C C -13.148 7.180 0.593 1.00 . A A . 6 ARG C 1 1
11 5479 1 1 7 ARG CA C -14.282 6.156 0.485 1.00 . A A . 6 ARG CA 1 1
11 5480 1 1 7 ARG CB C -14.861 5.940 1.892 1.00 . A A . 6 ARG CB 1 1
11 5481 1 1 7 ARG CD C -17.249 5.356 1.130 1.00 . A A . 6 ARG CD 1 1
11 5482 1 1 7 ARG CG C -16.028 4.957 1.955 1.00 . A A . 6 ARG CG 1 1
11 5483 1 1 7 ARG CZ C -17.705 5.222 -1.333 1.00 . A A . 6 ARG CZ 1 1
11 5484 1 1 7 ARG H H -13.414 4.278 0.724 1.00 . A A . 6 ARG H 1 1
11 5485 1 1 7 ARG HA H -15.056 6.514 -0.185 1.00 . A A . 6 ARG HA 1 1
11 5486 1 1 7 ARG HB2 H -14.066 5.563 2.536 1.00 . A A . 6 ARG HB2 1 1
11 5487 1 1 7 ARG HB3 H -15.192 6.886 2.308 1.00 . A A . 6 ARG HB3 1 1
11 5488 1 1 7 ARG HD2 H -18.145 5.017 1.650 1.00 . A A . 6 ARG HD2 1 1
11 5489 1 1 7 ARG HD3 H -17.280 6.439 1.040 1.00 . A A . 6 ARG HD3 1 1
11 5490 1 1 7 ARG HE H -16.788 3.803 -0.230 1.00 . A A . 6 ARG HE 1 1
11 5491 1 1 7 ARG HG2 H -15.661 4.000 1.603 1.00 . A A . 6 ARG HG2 1 1
11 5492 1 1 7 ARG HG3 H -16.338 4.861 2.996 1.00 . A A . 6 ARG HG3 1 1
11 5493 1 1 7 ARG HH11 H -18.491 6.923 -0.551 1.00 . A A . 6 ARG HH11 1 1
11 5494 1 1 7 ARG HH12 H -18.703 6.728 -2.274 1.00 . A A . 6 ARG HH12 1 1
11 5495 1 1 7 ARG HH21 H -17.049 3.658 -2.450 1.00 . A A . 6 ARG HH21 1 1
11 5496 1 1 7 ARG HH22 H -17.916 4.898 -3.323 1.00 . A A . 6 ARG HH22 1 1
11 5497 1 1 7 ARG N N -13.770 4.882 0.001 1.00 . A A . 6 ARG N 1 1
11 5498 1 1 7 ARG NE N -17.213 4.721 -0.192 1.00 . A A . 6 ARG NE 1 1
11 5499 1 1 7 ARG NH1 N -18.348 6.387 -1.393 1.00 . A A . 6 ARG NH1 1 1
11 5500 1 1 7 ARG NH2 N -17.548 4.535 -2.457 1.00 . A A . 6 ARG NH2 1 1
11 5501 1 1 7 ARG O O -11.979 6.819 0.473 1.00 . A A . 6 ARG O 1 1
11 5502 1 1 8 ASP C C -11.781 9.152 2.622 1.00 . A A . 7 ASP C 1 1
11 5503 1 1 8 ASP CA C -12.476 9.451 1.292 1.00 . A A . 7 ASP CA 1 1
11 5504 1 1 8 ASP CB C -13.151 10.815 1.416 1.00 . A A . 7 ASP CB 1 1
11 5505 1 1 8 ASP CG C -13.753 11.289 0.108 1.00 . A A . 7 ASP CG 1 1
11 5506 1 1 8 ASP H H -14.447 8.681 1.030 1.00 . A A . 7 ASP H 1 1
11 5507 1 1 8 ASP HA H -11.718 9.502 0.510 1.00 . A A . 7 ASP HA 1 1
11 5508 1 1 8 ASP HB2 H -13.936 10.761 2.175 1.00 . A A . 7 ASP HB2 1 1
11 5509 1 1 8 ASP HB3 H -12.416 11.552 1.737 1.00 . A A . 7 ASP HB3 1 1
11 5510 1 1 8 ASP N N -13.472 8.437 0.925 1.00 . A A . 7 ASP N 1 1
11 5511 1 1 8 ASP O O -10.784 9.796 2.942 1.00 . A A . 7 ASP O 1 1
11 5512 1 1 8 ASP OD1 O -13.157 11.003 -0.957 1.00 . A A . 7 ASP OD1 1 1
11 5513 1 1 8 ASP OD2 O -14.795 11.947 0.169 1.00 . A A . 7 ASP OD2 1 1
11 5514 1 1 9 SER C C -10.600 7.527 5.101 1.00 . A A . 8 SER C 1 1
11 5515 1 1 9 SER CA C -12.042 7.913 4.773 1.00 . A A . 8 SER CA 1 1
11 5516 1 1 9 SER CB C -12.972 6.781 5.219 1.00 . A A . 8 SER CB 1 1
11 5517 1 1 9 SER H H -13.150 7.743 3.020 1.00 . A A . 8 SER H 1 1
11 5518 1 1 9 SER HA H -12.287 8.804 5.348 1.00 . A A . 8 SER HA 1 1
11 5519 1 1 9 SER HB2 H -12.747 5.879 4.649 1.00 . A A . 8 SER HB2 1 1
11 5520 1 1 9 SER HB3 H -12.818 6.580 6.278 1.00 . A A . 8 SER HB3 1 1
11 5521 1 1 9 SER HG H -14.877 6.419 5.312 1.00 . A A . 8 SER HG 1 1
11 5522 1 1 9 SER N N -12.324 8.195 3.380 1.00 . A A . 8 SER N 1 1
11 5523 1 1 9 SER O O -10.304 7.444 6.286 1.00 . A A . 8 SER O 1 1
11 5524 1 1 9 SER OG O -14.319 7.141 5.010 1.00 . A A . 8 SER OG 1 1
11 5525 1 1 10 GLY C C -7.507 7.506 3.196 1.00 . A A . 9 GLY C 1 1
11 5526 1 1 10 GLY CA C -8.325 6.940 4.355 1.00 . A A . 9 GLY CA 1 1
11 5527 1 1 10 GLY H H -9.973 7.410 3.154 1.00 . A A . 9 GLY H 1 1
11 5528 1 1 10 GLY HA2 H -7.970 7.360 5.295 1.00 . A A . 9 GLY HA2 1 1
11 5529 1 1 10 GLY HA3 H -8.244 5.859 4.428 1.00 . A A . 9 GLY HA3 1 1
11 5530 1 1 10 GLY N N -9.714 7.285 4.124 1.00 . A A . 9 GLY N 1 1
11 5531 1 1 10 GLY O O -7.548 8.711 2.989 1.00 . A A . 9 GLY O 1 1
11 5532 1 1 11 TYR C C -5.596 4.722 1.590 1.00 . A A . 10 TYR C 1 1
11 5533 1 1 11 TYR CA C -6.743 5.265 2.429 1.00 . A A . 10 TYR CA 1 1
11 5534 1 1 11 TYR CB C -8.058 4.700 1.880 1.00 . A A . 10 TYR CB 1 1
11 5535 1 1 11 TYR CD1 C -8.229 2.804 3.550 1.00 . A A . 10 TYR CD1 1 1
11 5536 1 1 11 TYR CD2 C -10.199 4.154 3.081 1.00 . A A . 10 TYR CD2 1 1
11 5537 1 1 11 TYR CE1 C -8.984 1.998 4.412 1.00 . A A . 10 TYR CE1 1 1
11 5538 1 1 11 TYR CE2 C -10.963 3.333 3.924 1.00 . A A . 10 TYR CE2 1 1
11 5539 1 1 11 TYR CG C -8.841 3.871 2.869 1.00 . A A . 10 TYR CG 1 1
11 5540 1 1 11 TYR CZ C -10.363 2.236 4.577 1.00 . A A . 10 TYR CZ 1 1
11 5541 1 1 11 TYR H H -6.399 7.108 1.568 1.00 . A A . 10 TYR H 1 1
11 5542 1 1 11 TYR HA H -6.598 4.928 3.451 1.00 . A A . 10 TYR HA 1 1
11 5543 1 1 11 TYR HB2 H -8.693 5.504 1.511 1.00 . A A . 10 TYR HB2 1 1
11 5544 1 1 11 TYR HB3 H -7.840 4.081 1.014 1.00 . A A . 10 TYR HB3 1 1
11 5545 1 1 11 TYR HD1 H -7.184 2.590 3.406 1.00 . A A . 10 TYR HD1 1 1
11 5546 1 1 11 TYR HD2 H -10.667 4.979 2.563 1.00 . A A . 10 TYR HD2 1 1
11 5547 1 1 11 TYR HE1 H -8.508 1.197 4.946 1.00 . A A . 10 TYR HE1 1 1
11 5548 1 1 11 TYR HE2 H -12.009 3.543 4.058 1.00 . A A . 10 TYR HE2 1 1
11 5549 1 1 11 TYR HH H -10.572 0.746 5.813 1.00 . A A . 10 TYR HH 1 1
11 5550 1 1 11 TYR N N -6.784 6.708 2.402 1.00 . A A . 10 TYR N 1 1
11 5551 1 1 11 TYR O O -5.220 5.293 0.566 1.00 . A A . 10 TYR O 1 1
11 5552 1 1 11 TYR OH O -11.102 1.421 5.383 1.00 . A A . 10 TYR OH 1 1
11 5553 1 1 12 GLU C C -5.447 1.224 1.451 1.00 . A A . 11 GLU C 1 1
11 5554 1 1 12 GLU CA C -4.654 2.502 1.116 1.00 . A A . 11 GLU CA 1 1
11 5555 1 1 12 GLU CB C -3.145 2.356 1.354 1.00 . A A . 11 GLU CB 1 1
11 5556 1 1 12 GLU CD C -1.216 0.773 0.795 1.00 . A A . 11 GLU CD 1 1
11 5557 1 1 12 GLU CG C -2.536 1.378 0.345 1.00 . A A . 11 GLU CG 1 1
11 5558 1 1 12 GLU H H -5.466 3.202 2.898 1.00 . A A . 11 GLU H 1 1
11 5559 1 1 12 GLU HA H -4.832 2.792 0.079 1.00 . A A . 11 GLU HA 1 1
11 5560 1 1 12 GLU HB2 H -2.666 3.329 1.245 1.00 . A A . 11 GLU HB2 1 1
11 5561 1 1 12 GLU HB3 H -2.976 2.007 2.370 1.00 . A A . 11 GLU HB3 1 1
11 5562 1 1 12 GLU HG2 H -3.226 0.551 0.200 1.00 . A A . 11 GLU HG2 1 1
11 5563 1 1 12 GLU HG3 H -2.404 1.888 -0.605 1.00 . A A . 11 GLU HG3 1 1
11 5564 1 1 12 GLU N N -5.166 3.528 1.993 1.00 . A A . 11 GLU N 1 1
11 5565 1 1 12 GLU O O -5.043 0.443 2.314 1.00 . A A . 11 GLU O 1 1
11 5566 1 1 12 GLU OE1 O -0.425 1.453 1.467 1.00 . A A . 11 GLU OE1 1 1
11 5567 1 1 12 GLU OE2 O -1.004 -0.409 0.490 1.00 . A A . 11 GLU OE2 1 1
11 5568 1 1 13 VAL C C -6.897 -1.447 0.747 1.00 . A A . 12 VAL C 1 1
11 5569 1 1 13 VAL CA C -7.534 -0.079 0.993 1.00 . A A . 12 VAL CA 1 1
11 5570 1 1 13 VAL CB C -8.791 0.119 0.114 1.00 . A A . 12 VAL CB 1 1
11 5571 1 1 13 VAL CG1 C -9.792 -1.053 0.105 1.00 . A A . 12 VAL CG1 1 1
11 5572 1 1 13 VAL CG2 C -9.571 1.325 0.627 1.00 . A A . 12 VAL CG2 1 1
11 5573 1 1 13 VAL H H -6.869 1.715 0.100 1.00 . A A . 12 VAL H 1 1
11 5574 1 1 13 VAL HA H -7.844 -0.048 2.033 1.00 . A A . 12 VAL HA 1 1
11 5575 1 1 13 VAL HB H -8.479 0.308 -0.912 1.00 . A A . 12 VAL HB 1 1
11 5576 1 1 13 VAL HG11 H -9.342 -1.930 -0.353 1.00 . A A . 12 VAL HG11 1 1
11 5577 1 1 13 VAL HG12 H -10.107 -1.294 1.118 1.00 . A A . 12 VAL HG12 1 1
11 5578 1 1 13 VAL HG13 H -10.670 -0.790 -0.483 1.00 . A A . 12 VAL HG13 1 1
11 5579 1 1 13 VAL HG21 H -10.453 1.450 0.008 1.00 . A A . 12 VAL HG21 1 1
11 5580 1 1 13 VAL HG22 H -9.860 1.166 1.664 1.00 . A A . 12 VAL HG22 1 1
11 5581 1 1 13 VAL HG23 H -8.967 2.222 0.542 1.00 . A A . 12 VAL HG23 1 1
11 5582 1 1 13 VAL N N -6.594 1.028 0.784 1.00 . A A . 12 VAL N 1 1
11 5583 1 1 13 VAL O O -7.453 -2.447 1.178 1.00 . A A . 12 VAL O 1 1
11 5584 1 1 14 HIS C C -4.573 -3.325 1.390 1.00 . A A . 13 HIS C 1 1
11 5585 1 1 14 HIS CA C -4.960 -2.747 0.017 1.00 . A A . 13 HIS CA 1 1
11 5586 1 1 14 HIS CB C -3.765 -2.496 -0.913 1.00 . A A . 13 HIS CB 1 1
11 5587 1 1 14 HIS CD2 C -2.458 -4.706 -1.202 1.00 . A A . 13 HIS CD2 1 1
11 5588 1 1 14 HIS CE1 C -0.557 -4.108 -0.287 1.00 . A A . 13 HIS CE1 1 1
11 5589 1 1 14 HIS CG C -2.587 -3.419 -0.760 1.00 . A A . 13 HIS CG 1 1
11 5590 1 1 14 HIS H H -5.295 -0.670 -0.229 1.00 . A A . 13 HIS H 1 1
11 5591 1 1 14 HIS HA H -5.625 -3.467 -0.453 1.00 . A A . 13 HIS HA 1 1
11 5592 1 1 14 HIS HB2 H -4.119 -2.544 -1.943 1.00 . A A . 13 HIS HB2 1 1
11 5593 1 1 14 HIS HB3 H -3.389 -1.490 -0.742 1.00 . A A . 13 HIS HB3 1 1
11 5594 1 1 14 HIS HD1 H -1.178 -2.185 0.237 1.00 . A A . 13 HIS HD1 1 1
11 5595 1 1 14 HIS HD2 H -3.207 -5.281 -1.725 1.00 . A A . 13 HIS HD2 1 1
11 5596 1 1 14 HIS HE1 H 0.464 -4.100 0.057 1.00 . A A . 13 HIS HE1 1 1
11 5597 1 1 14 HIS N N -5.717 -1.516 0.128 1.00 . A A . 13 HIS N 1 1
11 5598 1 1 14 HIS ND1 N -1.395 -3.077 -0.178 1.00 . A A . 13 HIS ND1 1 1
11 5599 1 1 14 HIS NE2 N -1.163 -5.139 -0.888 1.00 . A A . 13 HIS NE2 1 1
11 5600 1 1 14 HIS O O -4.324 -4.522 1.454 1.00 . A A . 13 HIS O 1 1
11 5601 1 1 15 HIS C C -5.856 -3.415 4.457 1.00 . A A . 14 HIS C 1 1
11 5602 1 1 15 HIS CA C -4.498 -3.086 3.847 1.00 . A A . 14 HIS CA 1 1
11 5603 1 1 15 HIS CB C -3.763 -2.092 4.743 1.00 . A A . 14 HIS CB 1 1
11 5604 1 1 15 HIS CD2 C -1.765 -0.997 3.632 1.00 . A A . 14 HIS CD2 1 1
11 5605 1 1 15 HIS CE1 C -0.291 -2.603 3.836 1.00 . A A . 14 HIS CE1 1 1
11 5606 1 1 15 HIS CG C -2.329 -2.005 4.352 1.00 . A A . 14 HIS CG 1 1
11 5607 1 1 15 HIS H H -4.815 -1.569 2.387 1.00 . A A . 14 HIS H 1 1
11 5608 1 1 15 HIS HA H -3.919 -4.009 3.829 1.00 . A A . 14 HIS HA 1 1
11 5609 1 1 15 HIS HB2 H -4.219 -1.107 4.663 1.00 . A A . 14 HIS HB2 1 1
11 5610 1 1 15 HIS HB3 H -3.815 -2.419 5.782 1.00 . A A . 14 HIS HB3 1 1
11 5611 1 1 15 HIS HD1 H -1.536 -3.902 4.915 1.00 . A A . 14 HIS HD1 1 1
11 5612 1 1 15 HIS HD2 H -2.264 -0.093 3.323 1.00 . A A . 14 HIS HD2 1 1
11 5613 1 1 15 HIS HE1 H 0.613 -3.181 3.758 1.00 . A A . 14 HIS HE1 1 1
11 5614 1 1 15 HIS N N -4.599 -2.551 2.486 1.00 . A A . 14 HIS N 1 1
11 5615 1 1 15 HIS ND1 N -1.395 -3.002 4.477 1.00 . A A . 14 HIS ND1 1 1
11 5616 1 1 15 HIS NE2 N -0.467 -1.384 3.311 1.00 . A A . 14 HIS NE2 1 1
11 5617 1 1 15 HIS O O -5.923 -4.289 5.313 1.00 . A A . 14 HIS O 1 1
11 5618 1 1 16 GLN C C -8.753 -4.385 3.977 1.00 . A A . 15 GLN C 1 1
11 5619 1 1 16 GLN CA C -8.269 -3.045 4.517 1.00 . A A . 15 GLN CA 1 1
11 5620 1 1 16 GLN CB C -9.195 -1.907 4.097 1.00 . A A . 15 GLN CB 1 1
11 5621 1 1 16 GLN CD C -11.013 -2.279 5.886 1.00 . A A . 15 GLN CD 1 1
11 5622 1 1 16 GLN CG C -10.678 -2.129 4.407 1.00 . A A . 15 GLN CG 1 1
11 5623 1 1 16 GLN H H -6.853 -2.023 3.351 1.00 . A A . 15 GLN H 1 1
11 5624 1 1 16 GLN HA H -8.233 -3.086 5.599 1.00 . A A . 15 GLN HA 1 1
11 5625 1 1 16 GLN HB2 H -8.864 -0.991 4.574 1.00 . A A . 15 GLN HB2 1 1
11 5626 1 1 16 GLN HB3 H -9.099 -1.775 3.029 1.00 . A A . 15 GLN HB3 1 1
11 5627 1 1 16 GLN HE21 H -12.968 -2.663 5.472 1.00 . A A . 15 GLN HE21 1 1
11 5628 1 1 16 GLN HE22 H -12.535 -2.628 7.170 1.00 . A A . 15 GLN HE22 1 1
11 5629 1 1 16 GLN HG2 H -11.209 -1.260 4.036 1.00 . A A . 15 GLN HG2 1 1
11 5630 1 1 16 GLN HG3 H -11.035 -3.004 3.866 1.00 . A A . 15 GLN HG3 1 1
11 5631 1 1 16 GLN N N -6.936 -2.756 4.035 1.00 . A A . 15 GLN N 1 1
11 5632 1 1 16 GLN NE2 N -12.275 -2.548 6.196 1.00 . A A . 15 GLN NE2 1 1
11 5633 1 1 16 GLN O O -9.252 -5.193 4.745 1.00 . A A . 15 GLN O 1 1
11 5634 1 1 16 GLN OE1 O -10.164 -2.145 6.755 1.00 . A A . 15 GLN OE1 1 1
11 5635 1 1 17 LYS C C -8.402 -5.908 0.618 1.00 . A A . 16 LYS C 1 1
11 5636 1 1 17 LYS CA C -9.152 -5.743 1.944 1.00 . A A . 16 LYS CA 1 1
11 5637 1 1 17 LYS CB C -10.654 -5.491 1.722 1.00 . A A . 16 LYS CB 1 1
11 5638 1 1 17 LYS CD C -12.772 -6.397 0.681 1.00 . A A . 16 LYS CD 1 1
11 5639 1 1 17 LYS CE C -13.285 -7.460 -0.289 1.00 . A A . 16 LYS CE 1 1
11 5640 1 1 17 LYS CG C -11.295 -6.643 0.951 1.00 . A A . 16 LYS CG 1 1
11 5641 1 1 17 LYS H H -8.177 -3.883 2.121 1.00 . A A . 16 LYS H 1 1
11 5642 1 1 17 LYS HA H -9.027 -6.649 2.537 1.00 . A A . 16 LYS HA 1 1
11 5643 1 1 17 LYS HB2 H -11.157 -5.384 2.682 1.00 . A A . 16 LYS HB2 1 1
11 5644 1 1 17 LYS HB3 H -10.783 -4.564 1.160 1.00 . A A . 16 LYS HB3 1 1
11 5645 1 1 17 LYS HD2 H -13.340 -6.432 1.605 1.00 . A A . 16 LYS HD2 1 1
11 5646 1 1 17 LYS HD3 H -12.877 -5.411 0.240 1.00 . A A . 16 LYS HD3 1 1
11 5647 1 1 17 LYS HE2 H -12.577 -7.563 -1.113 1.00 . A A . 16 LYS HE2 1 1
11 5648 1 1 17 LYS HE3 H -13.362 -8.415 0.229 1.00 . A A . 16 LYS HE3 1 1
11 5649 1 1 17 LYS HG2 H -10.805 -6.726 -0.016 1.00 . A A . 16 LYS HG2 1 1
11 5650 1 1 17 LYS HG3 H -11.171 -7.568 1.512 1.00 . A A . 16 LYS HG3 1 1
11 5651 1 1 17 LYS HZ1 H -14.926 -7.807 -1.459 1.00 . A A . 16 LYS HZ1 1 1
11 5652 1 1 17 LYS HZ2 H -15.255 -6.958 -0.091 1.00 . A A . 16 LYS HZ2 1 1
11 5653 1 1 17 LYS HZ3 H -14.504 -6.218 -1.354 1.00 . A A . 16 LYS HZ3 1 1
11 5654 1 1 17 LYS N N -8.599 -4.614 2.673 1.00 . A A . 16 LYS N 1 1
11 5655 1 1 17 LYS NZ N -14.592 -7.083 -0.840 1.00 . A A . 16 LYS NZ 1 1
11 5656 1 1 17 LYS O O -8.077 -4.935 -0.052 1.00 . A A . 16 LYS O 1 1
11 5657 1 1 18 NH2 HN1 H -7.666 -7.296 -0.667 1.00 . A A . 17 NH2 HN1 1 1
11 5658 1 1 18 NH2 HN2 H -8.441 -7.934 0.765 1.00 . A A . 17 NH2 HN2 1 1
11 5659 1 1 18 NH2 N N -8.152 -7.147 0.205 1.00 . A A . 17 NH2 N 1 1
11 5660 2 1 1 ACE C C 8.260 4.988 -8.822 1.00 . B B . 0 ACE C 1 1
11 5661 2 1 1 ACE CH3 C 7.731 5.550 -7.520 1.00 . B B . 0 ACE CH3 1 1
11 5662 2 1 1 ACE H1 H 8.110 4.955 -6.691 1.00 . B B . 0 ACE H1 1 1
11 5663 2 1 1 ACE H2 H 8.063 6.581 -7.408 1.00 . B B . 0 ACE H2 1 1
11 5664 2 1 1 ACE H3 H 6.643 5.531 -7.536 1.00 . B B . 0 ACE H3 1 1
11 5665 2 1 1 ACE O O 7.514 4.365 -9.572 1.00 . B B . 0 ACE O 1 1
11 5666 2 1 2 ASP C C 10.987 3.647 -10.308 1.00 . B B . 1 ASP C 1 1
11 5667 2 1 2 ASP CA C 10.184 4.946 -10.358 1.00 . B B . 1 ASP CA 1 1
11 5668 2 1 2 ASP CB C 11.072 6.131 -10.723 1.00 . B B . 1 ASP CB 1 1
11 5669 2 1 2 ASP CG C 11.232 6.198 -12.224 1.00 . B B . 1 ASP CG 1 1
11 5670 2 1 2 ASP H H 10.099 5.723 -8.403 1.00 . B B . 1 ASP H 1 1
11 5671 2 1 2 ASP HA H 9.412 4.850 -11.123 1.00 . B B . 1 ASP HA 1 1
11 5672 2 1 2 ASP HB2 H 10.605 7.058 -10.388 1.00 . B B . 1 ASP HB2 1 1
11 5673 2 1 2 ASP HB3 H 12.049 6.032 -10.248 1.00 . B B . 1 ASP HB3 1 1
11 5674 2 1 2 ASP N N 9.542 5.235 -9.088 1.00 . B B . 1 ASP N 1 1
11 5675 2 1 2 ASP O O 11.445 3.245 -9.241 1.00 . B B . 1 ASP O 1 1
11 5676 2 1 2 ASP OD1 O 10.299 6.737 -12.861 1.00 . B B . 1 ASP OD1 1 1
11 5677 2 1 2 ASP OD2 O 12.238 5.692 -12.732 1.00 . B B . 1 ASP OD2 1 1
11 5678 2 1 3 ALA C C 12.673 1.161 -10.743 1.00 . B B . 2 ALA C 1 1
11 5679 2 1 3 ALA CA C 11.567 1.636 -11.679 1.00 . B B . 2 ALA CA 1 1
11 5680 2 1 3 ALA CB C 11.992 1.455 -13.137 1.00 . B B . 2 ALA CB 1 1
11 5681 2 1 3 ALA H H 10.798 3.486 -12.307 1.00 . B B . 2 ALA H 1 1
11 5682 2 1 3 ALA HA H 10.704 0.999 -11.505 1.00 . B B . 2 ALA HA 1 1
11 5683 2 1 3 ALA HB1 H 12.410 0.460 -13.265 1.00 . B B . 2 ALA HB1 1 1
11 5684 2 1 3 ALA HB2 H 11.131 1.577 -13.791 1.00 . B B . 2 ALA HB2 1 1
11 5685 2 1 3 ALA HB3 H 12.756 2.186 -13.398 1.00 . B B . 2 ALA HB3 1 1
11 5686 2 1 3 ALA N N 11.153 3.022 -11.483 1.00 . B B . 2 ALA N 1 1
11 5687 2 1 3 ALA O O 12.459 0.204 -10.010 1.00 . B B . 2 ALA O 1 1
11 5688 2 1 4 GLU C C 14.867 1.103 -8.600 1.00 . B B . 3 GLU C 1 1
11 5689 2 1 4 GLU CA C 15.051 1.411 -10.085 1.00 . B B . 3 GLU CA 1 1
11 5690 2 1 4 GLU CB C 16.141 2.466 -10.289 1.00 . B B . 3 GLU CB 1 1
11 5691 2 1 4 GLU CD C 16.674 4.913 -10.167 1.00 . B B . 3 GLU CD 1 1
11 5692 2 1 4 GLU CG C 15.779 3.812 -9.644 1.00 . B B . 3 GLU CG 1 1
11 5693 2 1 4 GLU H H 13.904 2.629 -11.377 1.00 . B B . 3 GLU H 1 1
11 5694 2 1 4 GLU HA H 15.388 0.502 -10.567 1.00 . B B . 3 GLU HA 1 1
11 5695 2 1 4 GLU HB2 H 17.076 2.105 -9.860 1.00 . B B . 3 GLU HB2 1 1
11 5696 2 1 4 GLU HB3 H 16.296 2.600 -11.359 1.00 . B B . 3 GLU HB3 1 1
11 5697 2 1 4 GLU HG2 H 14.741 4.071 -9.862 1.00 . B B . 3 GLU HG2 1 1
11 5698 2 1 4 GLU HG3 H 15.901 3.741 -8.563 1.00 . B B . 3 GLU HG3 1 1
11 5699 2 1 4 GLU N N 13.831 1.830 -10.764 1.00 . B B . 3 GLU N 1 1
11 5700 2 1 4 GLU O O 15.478 0.151 -8.130 1.00 . B B . 3 GLU O 1 1
11 5701 2 1 4 GLU OE1 O 17.767 5.069 -9.598 1.00 . B B . 3 GLU OE1 1 1
11 5702 2 1 4 GLU OE2 O 16.285 5.581 -11.142 1.00 . B B . 3 GLU OE2 1 1
11 5703 2 1 5 PHE C C 12.353 1.179 -6.180 1.00 . B B . 4 PHE C 1 1
11 5704 2 1 5 PHE CA C 13.757 1.714 -6.466 1.00 . B B . 4 PHE CA 1 1
11 5705 2 1 5 PHE CB C 13.959 3.059 -5.778 1.00 . B B . 4 PHE CB 1 1
11 5706 2 1 5 PHE CD1 C 11.705 4.106 -5.316 1.00 . B B . 4 PHE CD1 1 1
11 5707 2 1 5 PHE CD2 C 13.079 5.025 -7.100 1.00 . B B . 4 PHE CD2 1 1
11 5708 2 1 5 PHE CE1 C 10.753 5.117 -5.520 1.00 . B B . 4 PHE CE1 1 1
11 5709 2 1 5 PHE CE2 C 12.136 6.052 -7.290 1.00 . B B . 4 PHE CE2 1 1
11 5710 2 1 5 PHE CG C 12.886 4.081 -6.079 1.00 . B B . 4 PHE CG 1 1
11 5711 2 1 5 PHE CZ C 10.990 6.111 -6.483 1.00 . B B . 4 PHE CZ 1 1
11 5712 2 1 5 PHE H H 13.559 2.631 -8.358 1.00 . B B . 4 PHE H 1 1
11 5713 2 1 5 PHE HA H 14.470 1.015 -6.041 1.00 . B B . 4 PHE HA 1 1
11 5714 2 1 5 PHE HB2 H 13.977 2.888 -4.702 1.00 . B B . 4 PHE HB2 1 1
11 5715 2 1 5 PHE HB3 H 14.934 3.458 -6.059 1.00 . B B . 4 PHE HB3 1 1
11 5716 2 1 5 PHE HD1 H 11.546 3.354 -4.559 1.00 . B B . 4 PHE HD1 1 1
11 5717 2 1 5 PHE HD2 H 13.965 4.970 -7.711 1.00 . B B . 4 PHE HD2 1 1
11 5718 2 1 5 PHE HE1 H 9.855 5.144 -4.926 1.00 . B B . 4 PHE HE1 1 1
11 5719 2 1 5 PHE HE2 H 12.295 6.802 -8.049 1.00 . B B . 4 PHE HE2 1 1
11 5720 2 1 5 PHE HZ H 10.276 6.907 -6.620 1.00 . B B . 4 PHE HZ 1 1
11 5721 2 1 5 PHE N N 14.028 1.870 -7.891 1.00 . B B . 4 PHE N 1 1
11 5722 2 1 5 PHE O O 12.082 0.793 -5.043 1.00 . B B . 4 PHE O 1 1
11 5723 2 1 6 ARG C C 10.422 -1.010 -7.358 1.00 . B B . 5 ARG C 1 1
11 5724 2 1 6 ARG CA C 10.185 0.491 -7.160 1.00 . B B . 5 ARG CA 1 1
11 5725 2 1 6 ARG CB C 9.260 1.156 -8.191 1.00 . B B . 5 ARG CB 1 1
11 5726 2 1 6 ARG CD C 7.172 0.510 -6.822 1.00 . B B . 5 ARG CD 1 1
11 5727 2 1 6 ARG CG C 7.832 0.590 -8.203 1.00 . B B . 5 ARG CG 1 1
11 5728 2 1 6 ARG CZ C 5.882 2.593 -6.423 1.00 . B B . 5 ARG CZ 1 1
11 5729 2 1 6 ARG H H 11.755 1.501 -8.099 1.00 . B B . 5 ARG H 1 1
11 5730 2 1 6 ARG HA H 9.759 0.655 -6.176 1.00 . B B . 5 ARG HA 1 1
11 5731 2 1 6 ARG HB2 H 9.212 2.220 -7.963 1.00 . B B . 5 ARG HB2 1 1
11 5732 2 1 6 ARG HB3 H 9.687 1.047 -9.188 1.00 . B B . 5 ARG HB3 1 1
11 5733 2 1 6 ARG HD2 H 6.212 0.005 -6.905 1.00 . B B . 5 ARG HD2 1 1
11 5734 2 1 6 ARG HD3 H 7.781 -0.087 -6.144 1.00 . B B . 5 ARG HD3 1 1
11 5735 2 1 6 ARG HE H 7.696 2.182 -5.629 1.00 . B B . 5 ARG HE 1 1
11 5736 2 1 6 ARG HG2 H 7.221 1.206 -8.863 1.00 . B B . 5 ARG HG2 1 1
11 5737 2 1 6 ARG HG3 H 7.863 -0.410 -8.620 1.00 . B B . 5 ARG HG3 1 1
11 5738 2 1 6 ARG HH11 H 4.969 1.376 -7.777 1.00 . B B . 5 ARG HH11 1 1
11 5739 2 1 6 ARG HH12 H 4.104 2.840 -7.381 1.00 . B B . 5 ARG HH12 1 1
11 5740 2 1 6 ARG HH21 H 6.487 4.024 -5.119 1.00 . B B . 5 ARG HH21 1 1
11 5741 2 1 6 ARG HH22 H 4.940 4.306 -5.882 1.00 . B B . 5 ARG HH22 1 1
11 5742 2 1 6 ARG N N 11.477 1.142 -7.197 1.00 . B B . 5 ARG N 1 1
11 5743 2 1 6 ARG NE N 6.972 1.840 -6.243 1.00 . B B . 5 ARG NE 1 1
11 5744 2 1 6 ARG NH1 N 4.906 2.237 -7.255 1.00 . B B . 5 ARG NH1 1 1
11 5745 2 1 6 ARG NH2 N 5.761 3.730 -5.754 1.00 . B B . 5 ARG NH2 1 1
11 5746 2 1 6 ARG O O 10.089 -1.587 -8.387 1.00 . B B . 5 ARG O 1 1
11 5747 2 1 7 ARG C C 10.727 -3.929 -5.698 1.00 . B B . 6 ARG C 1 1
11 5748 2 1 7 ARG CA C 11.642 -2.948 -6.402 1.00 . B B . 6 ARG CA 1 1
11 5749 2 1 7 ARG CB C 13.030 -2.929 -5.745 1.00 . B B . 6 ARG CB 1 1
11 5750 2 1 7 ARG CD C 14.424 -2.780 -7.914 1.00 . B B . 6 ARG CD 1 1
11 5751 2 1 7 ARG CG C 14.085 -2.160 -6.552 1.00 . B B . 6 ARG CG 1 1
11 5752 2 1 7 ARG CZ C 12.778 -3.120 -9.797 1.00 . B B . 6 ARG CZ 1 1
11 5753 2 1 7 ARG H H 11.363 -1.051 -5.578 1.00 . B B . 6 ARG H 1 1
11 5754 2 1 7 ARG HA H 11.733 -3.267 -7.430 1.00 . B B . 6 ARG HA 1 1
11 5755 2 1 7 ARG HB2 H 12.942 -2.449 -4.770 1.00 . B B . 6 ARG HB2 1 1
11 5756 2 1 7 ARG HB3 H 13.382 -3.949 -5.595 1.00 . B B . 6 ARG HB3 1 1
11 5757 2 1 7 ARG HD2 H 15.428 -2.461 -8.192 1.00 . B B . 6 ARG HD2 1 1
11 5758 2 1 7 ARG HD3 H 14.436 -3.860 -7.828 1.00 . B B . 6 ARG HD3 1 1
11 5759 2 1 7 ARG HE H 13.468 -1.344 -9.133 1.00 . B B . 6 ARG HE 1 1
11 5760 2 1 7 ARG HG2 H 13.747 -1.135 -6.678 1.00 . B B . 6 ARG HG2 1 1
11 5761 2 1 7 ARG HG3 H 15.002 -2.131 -5.968 1.00 . B B . 6 ARG HG3 1 1
11 5762 2 1 7 ARG HH11 H 13.298 -4.907 -8.971 1.00 . B B . 6 ARG HH11 1 1
11 5763 2 1 7 ARG HH12 H 12.186 -4.998 -10.317 1.00 . B B . 6 ARG HH12 1 1
11 5764 2 1 7 ARG HH21 H 12.034 -1.541 -10.839 1.00 . B B . 6 ARG HH21 1 1
11 5765 2 1 7 ARG HH22 H 11.484 -3.113 -11.371 1.00 . B B . 6 ARG HH22 1 1
11 5766 2 1 7 ARG N N 11.091 -1.610 -6.370 1.00 . B B . 6 ARG N 1 1
11 5767 2 1 7 ARG NE N 13.506 -2.342 -8.978 1.00 . B B . 6 ARG NE 1 1
11 5768 2 1 7 ARG NH1 N 12.754 -4.451 -9.688 1.00 . B B . 6 ARG NH1 1 1
11 5769 2 1 7 ARG NH2 N 12.044 -2.546 -10.751 1.00 . B B . 6 ARG NH2 1 1
11 5770 2 1 7 ARG O O 10.030 -3.579 -4.750 1.00 . B B . 6 ARG O 1 1
11 5771 2 1 8 ASP C C 10.859 -6.924 -4.440 1.00 . B B . 7 ASP C 1 1
11 5772 2 1 8 ASP CA C 10.067 -6.312 -5.588 1.00 . B B . 7 ASP CA 1 1
11 5773 2 1 8 ASP CB C 9.884 -7.384 -6.664 1.00 . B B . 7 ASP CB 1 1
11 5774 2 1 8 ASP CG C 8.943 -6.917 -7.757 1.00 . B B . 7 ASP CG 1 1
11 5775 2 1 8 ASP H H 11.365 -5.367 -6.957 1.00 . B B . 7 ASP H 1 1
11 5776 2 1 8 ASP HA H 9.089 -5.998 -5.220 1.00 . B B . 7 ASP HA 1 1
11 5777 2 1 8 ASP HB2 H 10.850 -7.637 -7.100 1.00 . B B . 7 ASP HB2 1 1
11 5778 2 1 8 ASP HB3 H 9.468 -8.282 -6.208 1.00 . B B . 7 ASP HB3 1 1
11 5779 2 1 8 ASP N N 10.763 -5.173 -6.169 1.00 . B B . 7 ASP N 1 1
11 5780 2 1 8 ASP O O 10.317 -7.749 -3.713 1.00 . B B . 7 ASP O 1 1
11 5781 2 1 8 ASP OD1 O 9.313 -5.994 -8.501 1.00 . B B . 7 ASP OD1 1 1
11 5782 2 1 8 ASP OD2 O 7.840 -7.502 -7.820 1.00 . B B . 7 ASP OD2 1 1
11 5783 2 1 9 SER C C 12.577 -7.065 -1.872 1.00 . B B . 8 SER C 1 1
11 5784 2 1 9 SER CA C 13.058 -7.126 -3.327 1.00 . B B . 8 SER CA 1 1
11 5785 2 1 9 SER CB C 14.423 -6.446 -3.481 1.00 . B B . 8 SER CB 1 1
11 5786 2 1 9 SER H H 12.526 -5.901 -4.950 1.00 . B B . 8 SER H 1 1
11 5787 2 1 9 SER HA H 13.170 -8.176 -3.592 1.00 . B B . 8 SER HA 1 1
11 5788 2 1 9 SER HB2 H 14.320 -5.372 -3.328 1.00 . B B . 8 SER HB2 1 1
11 5789 2 1 9 SER HB3 H 15.117 -6.846 -2.744 1.00 . B B . 8 SER HB3 1 1
11 5790 2 1 9 SER HG H 15.872 -6.463 -4.780 1.00 . B B . 8 SER HG 1 1
11 5791 2 1 9 SER N N 12.132 -6.543 -4.280 1.00 . B B . 8 SER N 1 1
11 5792 2 1 9 SER O O 13.159 -7.752 -1.043 1.00 . B B . 8 SER O 1 1
11 5793 2 1 9 SER OG O 14.939 -6.697 -4.769 1.00 . B B . 8 SER OG 1 1
11 5794 2 1 10 GLY C C 9.415 -6.904 -0.619 1.00 . B B . 9 GLY C 1 1
11 5795 2 1 10 GLY CA C 10.781 -6.284 -0.320 1.00 . B B . 9 GLY CA 1 1
11 5796 2 1 10 GLY H H 11.052 -5.819 -2.326 1.00 . B B . 9 GLY H 1 1
11 5797 2 1 10 GLY HA2 H 11.290 -6.866 0.447 1.00 . B B . 9 GLY HA2 1 1
11 5798 2 1 10 GLY HA3 H 10.669 -5.258 0.022 1.00 . B B . 9 GLY HA3 1 1
11 5799 2 1 10 GLY N N 11.521 -6.294 -1.567 1.00 . B B . 9 GLY N 1 1
11 5800 2 1 10 GLY O O 9.340 -8.115 -0.752 1.00 . B B . 9 GLY O 1 1
11 5801 2 1 11 TYR C C 6.747 -4.270 -0.746 1.00 . B B . 10 TYR C 1 1
11 5802 2 1 11 TYR CA C 8.210 -4.713 -0.704 1.00 . B B . 10 TYR CA 1 1
11 5803 2 1 11 TYR CB C 8.950 -4.072 -1.888 1.00 . B B . 10 TYR CB 1 1
11 5804 2 1 11 TYR CD1 C 9.834 -2.182 -0.466 1.00 . B B . 10 TYR CD1 1 1
11 5805 2 1 11 TYR CD2 C 11.323 -3.230 -2.077 1.00 . B B . 10 TYR CD2 1 1
11 5806 2 1 11 TYR CE1 C 10.865 -1.335 -0.048 1.00 . B B . 10 TYR CE1 1 1
11 5807 2 1 11 TYR CE2 C 12.359 -2.387 -1.669 1.00 . B B . 10 TYR CE2 1 1
11 5808 2 1 11 TYR CG C 10.059 -3.138 -1.472 1.00 . B B . 10 TYR CG 1 1
11 5809 2 1 11 TYR CZ C 12.141 -1.455 -0.636 1.00 . B B . 10 TYR CZ 1 1
11 5810 2 1 11 TYR H H 7.496 -6.600 -1.129 1.00 . B B . 10 TYR H 1 1
11 5811 2 1 11 TYR HA H 8.649 -4.386 0.238 1.00 . B B . 10 TYR HA 1 1
11 5812 2 1 11 TYR HB2 H 9.359 -4.843 -2.537 1.00 . B B . 10 TYR HB2 1 1
11 5813 2 1 11 TYR HB3 H 8.241 -3.525 -2.504 1.00 . B B . 10 TYR HB3 1 1
11 5814 2 1 11 TYR HD1 H 8.871 -2.100 -0.004 1.00 . B B . 10 TYR HD1 1 1
11 5815 2 1 11 TYR HD2 H 11.511 -3.966 -2.840 1.00 . B B . 10 TYR HD2 1 1
11 5816 2 1 11 TYR HE1 H 10.679 -0.617 0.733 1.00 . B B . 10 TYR HE1 1 1
11 5817 2 1 11 TYR HE2 H 13.328 -2.479 -2.120 1.00 . B B . 10 TYR HE2 1 1
11 5818 2 1 11 TYR HH H 12.915 -0.105 0.522 1.00 . B B . 10 TYR HH 1 1
11 5819 2 1 11 TYR N N 8.320 -6.152 -0.776 1.00 . B B . 10 TYR N 1 1
11 5820 2 1 11 TYR O O 5.882 -4.989 -1.239 1.00 . B B . 10 TYR O 1 1
11 5821 2 1 11 TYR OH O 13.177 -0.712 -0.176 1.00 . B B . 10 TYR OH 1 1
11 5822 2 1 12 GLU C C 5.894 -0.740 -0.710 1.00 . B B . 11 GLU C 1 1
11 5823 2 1 12 GLU CA C 5.408 -2.199 -0.734 1.00 . B B . 11 GLU CA 1 1
11 5824 2 1 12 GLU CB C 4.206 -2.450 0.178 1.00 . B B . 11 GLU CB 1 1
11 5825 2 1 12 GLU CD C 1.949 -1.312 0.407 1.00 . B B . 11 GLU CD 1 1
11 5826 2 1 12 GLU CG C 2.937 -1.968 -0.532 1.00 . B B . 11 GLU CG 1 1
11 5827 2 1 12 GLU H H 7.245 -2.554 0.191 1.00 . B B . 11 GLU H 1 1
11 5828 2 1 12 GLU HA H 5.138 -2.485 -1.749 1.00 . B B . 11 GLU HA 1 1
11 5829 2 1 12 GLU HB2 H 4.113 -3.516 0.388 1.00 . B B . 11 GLU HB2 1 1
11 5830 2 1 12 GLU HB3 H 4.365 -1.933 1.124 1.00 . B B . 11 GLU HB3 1 1
11 5831 2 1 12 GLU HG2 H 3.197 -1.248 -1.307 1.00 . B B . 11 GLU HG2 1 1
11 5832 2 1 12 GLU HG3 H 2.450 -2.815 -1.006 1.00 . B B . 11 GLU HG3 1 1
11 5833 2 1 12 GLU N N 6.521 -3.024 -0.326 1.00 . B B . 11 GLU N 1 1
11 5834 2 1 12 GLU O O 5.655 -0.007 0.247 1.00 . B B . 11 GLU O 1 1
11 5835 2 1 12 GLU OE1 O 1.357 -2.029 1.232 1.00 . B B . 11 GLU OE1 1 1
11 5836 2 1 12 GLU OE2 O 1.803 -0.080 0.305 1.00 . B B . 11 GLU OE2 1 1
11 5837 2 1 13 VAL C C 6.820 2.161 -1.528 1.00 . B B . 12 VAL C 1 1
11 5838 2 1 13 VAL CA C 7.517 0.820 -1.832 1.00 . B B . 12 VAL CA 1 1
11 5839 2 1 13 VAL CB C 8.212 0.814 -3.212 1.00 . B B . 12 VAL CB 1 1
11 5840 2 1 13 VAL CG1 C 8.990 2.096 -3.540 1.00 . B B . 12 VAL CG1 1 1
11 5841 2 1 13 VAL CG2 C 9.209 -0.346 -3.308 1.00 . B B . 12 VAL CG2 1 1
11 5842 2 1 13 VAL H H 6.757 -1.022 -2.499 1.00 . B B . 12 VAL H 1 1
11 5843 2 1 13 VAL HA H 8.297 0.682 -1.091 1.00 . B B . 12 VAL HA 1 1
11 5844 2 1 13 VAL HB H 7.444 0.672 -3.969 1.00 . B B . 12 VAL HB 1 1
11 5845 2 1 13 VAL HG11 H 9.704 2.318 -2.746 1.00 . B B . 12 VAL HG11 1 1
11 5846 2 1 13 VAL HG12 H 9.525 1.986 -4.481 1.00 . B B . 12 VAL HG12 1 1
11 5847 2 1 13 VAL HG13 H 8.299 2.923 -3.656 1.00 . B B . 12 VAL HG13 1 1
11 5848 2 1 13 VAL HG21 H 8.701 -1.289 -3.122 1.00 . B B . 12 VAL HG21 1 1
11 5849 2 1 13 VAL HG22 H 9.634 -0.388 -4.305 1.00 . B B . 12 VAL HG22 1 1
11 5850 2 1 13 VAL HG23 H 10.007 -0.205 -2.582 1.00 . B B . 12 VAL HG23 1 1
11 5851 2 1 13 VAL N N 6.647 -0.357 -1.748 1.00 . B B . 12 VAL N 1 1
11 5852 2 1 13 VAL O O 7.503 3.125 -1.185 1.00 . B B . 12 VAL O 1 1
11 5853 2 1 14 HIS C C 4.869 3.775 0.298 1.00 . B B . 13 HIS C 1 1
11 5854 2 1 14 HIS CA C 4.754 3.437 -1.199 1.00 . B B . 13 HIS CA 1 1
11 5855 2 1 14 HIS CB C 3.272 3.346 -1.593 1.00 . B B . 13 HIS CB 1 1
11 5856 2 1 14 HIS CD2 C 3.442 4.610 -3.818 1.00 . B B . 13 HIS CD2 1 1
11 5857 2 1 14 HIS CE1 C 2.079 3.415 -5.044 1.00 . B B . 13 HIS CE1 1 1
11 5858 2 1 14 HIS CG C 2.988 3.572 -3.052 1.00 . B B . 13 HIS CG 1 1
11 5859 2 1 14 HIS H H 4.951 1.429 -1.872 1.00 . B B . 13 HIS H 1 1
11 5860 2 1 14 HIS HA H 5.218 4.244 -1.759 1.00 . B B . 13 HIS HA 1 1
11 5861 2 1 14 HIS HB2 H 2.869 2.386 -1.272 1.00 . B B . 13 HIS HB2 1 1
11 5862 2 1 14 HIS HB3 H 2.725 4.123 -1.063 1.00 . B B . 13 HIS HB3 1 1
11 5863 2 1 14 HIS HD1 H 1.604 2.029 -3.545 1.00 . B B . 13 HIS HD1 1 1
11 5864 2 1 14 HIS HD2 H 4.112 5.393 -3.496 1.00 . B B . 13 HIS HD2 1 1
11 5865 2 1 14 HIS HE1 H 1.487 3.052 -5.869 1.00 . B B . 13 HIS HE1 1 1
11 5866 2 1 14 HIS N N 5.484 2.238 -1.587 1.00 . B B . 13 HIS N 1 1
11 5867 2 1 14 HIS ND1 N 2.120 2.846 -3.833 1.00 . B B . 13 HIS ND1 1 1
11 5868 2 1 14 HIS NE2 N 2.870 4.496 -5.086 1.00 . B B . 13 HIS NE2 1 1
11 5869 2 1 14 HIS O O 4.493 4.880 0.675 1.00 . B B . 13 HIS O 1 1
11 5870 2 1 15 HIS C C 7.042 3.742 2.809 1.00 . B B . 14 HIS C 1 1
11 5871 2 1 15 HIS CA C 5.652 3.157 2.555 1.00 . B B . 14 HIS CA 1 1
11 5872 2 1 15 HIS CB C 5.452 1.905 3.418 1.00 . B B . 14 HIS CB 1 1
11 5873 2 1 15 HIS CD2 C 3.290 0.817 2.668 1.00 . B B . 14 HIS CD2 1 1
11 5874 2 1 15 HIS CE1 C 1.908 1.520 4.209 1.00 . B B . 14 HIS CE1 1 1
11 5875 2 1 15 HIS CG C 4.004 1.552 3.558 1.00 . B B . 14 HIS CG 1 1
11 5876 2 1 15 HIS H H 5.643 1.960 0.793 1.00 . B B . 14 HIS H 1 1
11 5877 2 1 15 HIS HA H 4.932 3.902 2.898 1.00 . B B . 14 HIS HA 1 1
11 5878 2 1 15 HIS HB2 H 6.001 1.067 2.991 1.00 . B B . 14 HIS HB2 1 1
11 5879 2 1 15 HIS HB3 H 5.834 2.079 4.422 1.00 . B B . 14 HIS HB3 1 1
11 5880 2 1 15 HIS HD1 H 3.350 2.574 5.307 1.00 . B B . 14 HIS HD1 1 1
11 5881 2 1 15 HIS HD2 H 3.702 0.372 1.781 1.00 . B B . 14 HIS HD2 1 1
11 5882 2 1 15 HIS HE1 H 1.010 1.707 4.775 1.00 . B B . 14 HIS HE1 1 1
11 5883 2 1 15 HIS N N 5.387 2.871 1.146 1.00 . B B . 14 HIS N 1 1
11 5884 2 1 15 HIS ND1 N 3.126 1.986 4.519 1.00 . B B . 14 HIS ND1 1 1
11 5885 2 1 15 HIS NE2 N 1.957 0.808 3.076 1.00 . B B . 14 HIS NE2 1 1
11 5886 2 1 15 HIS O O 7.282 4.117 3.952 1.00 . B B . 14 HIS O 1 1
11 5887 2 1 16 GLN C C 9.242 5.892 1.261 1.00 . B B . 15 GLN C 1 1
11 5888 2 1 16 GLN CA C 9.215 4.546 1.980 1.00 . B B . 15 GLN CA 1 1
11 5889 2 1 16 GLN CB C 10.408 3.663 1.608 1.00 . B B . 15 GLN CB 1 1
11 5890 2 1 16 GLN CD C 11.780 2.390 -0.084 1.00 . B B . 15 GLN CD 1 1
11 5891 2 1 16 GLN CG C 10.500 3.187 0.156 1.00 . B B . 15 GLN CG 1 1
11 5892 2 1 16 GLN H H 7.726 3.509 0.897 1.00 . B B . 15 GLN H 1 1
11 5893 2 1 16 GLN HA H 9.339 4.762 3.034 1.00 . B B . 15 GLN HA 1 1
11 5894 2 1 16 GLN HB2 H 11.317 4.210 1.848 1.00 . B B . 15 GLN HB2 1 1
11 5895 2 1 16 GLN HB3 H 10.378 2.791 2.245 1.00 . B B . 15 GLN HB3 1 1
11 5896 2 1 16 GLN HE21 H 11.902 3.014 -2.017 1.00 . B B . 15 GLN HE21 1 1
11 5897 2 1 16 GLN HE22 H 13.179 1.944 -1.481 1.00 . B B . 15 GLN HE22 1 1
11 5898 2 1 16 GLN HG2 H 9.655 2.541 -0.071 1.00 . B B . 15 GLN HG2 1 1
11 5899 2 1 16 GLN HG3 H 10.480 4.051 -0.507 1.00 . B B . 15 GLN HG3 1 1
11 5900 2 1 16 GLN N N 7.943 3.849 1.818 1.00 . B B . 15 GLN N 1 1
11 5901 2 1 16 GLN NE2 N 12.314 2.433 -1.300 1.00 . B B . 15 GLN NE2 1 1
11 5902 2 1 16 GLN O O 8.482 6.122 0.328 1.00 . B B . 15 GLN O 1 1
11 5903 2 1 16 GLN OE1 O 12.297 1.740 0.819 1.00 . B B . 15 GLN OE1 1 1
11 5904 2 1 17 LYS C C 9.297 9.116 1.891 1.00 . B B . 16 LYS C 1 1
11 5905 2 1 17 LYS CA C 10.365 8.160 1.341 1.00 . B B . 16 LYS CA 1 1
11 5906 2 1 17 LYS CB C 10.490 8.319 -0.184 1.00 . B B . 16 LYS CB 1 1
11 5907 2 1 17 LYS CD C 12.861 9.163 -0.574 1.00 . B B . 16 LYS CD 1 1
11 5908 2 1 17 LYS CE C 13.132 8.361 -1.846 1.00 . B B . 16 LYS CE 1 1
11 5909 2 1 17 LYS CG C 11.376 9.529 -0.526 1.00 . B B . 16 LYS CG 1 1
11 5910 2 1 17 LYS H H 10.701 6.447 2.509 1.00 . B B . 16 LYS H 1 1
11 5911 2 1 17 LYS HA H 11.320 8.436 1.788 1.00 . B B . 16 LYS HA 1 1
11 5912 2 1 17 LYS HB2 H 10.917 7.414 -0.616 1.00 . B B . 16 LYS HB2 1 1
11 5913 2 1 17 LYS HB3 H 9.501 8.466 -0.620 1.00 . B B . 16 LYS HB3 1 1
11 5914 2 1 17 LYS HD2 H 13.459 10.074 -0.586 1.00 . B B . 16 LYS HD2 1 1
11 5915 2 1 17 LYS HD3 H 13.124 8.568 0.301 1.00 . B B . 16 LYS HD3 1 1
11 5916 2 1 17 LYS HE2 H 12.500 7.476 -1.861 1.00 . B B . 16 LYS HE2 1 1
11 5917 2 1 17 LYS HE3 H 12.885 8.969 -2.713 1.00 . B B . 16 LYS HE3 1 1
11 5918 2 1 17 LYS HG2 H 11.092 9.931 -1.496 1.00 . B B . 16 LYS HG2 1 1
11 5919 2 1 17 LYS HG3 H 11.228 10.315 0.213 1.00 . B B . 16 LYS HG3 1 1
11 5920 2 1 17 LYS HZ1 H 15.135 8.756 -1.927 1.00 . B B . 16 LYS HZ1 1 1
11 5921 2 1 17 LYS HZ2 H 14.761 7.353 -1.154 1.00 . B B . 16 LYS HZ2 1 1
11 5922 2 1 17 LYS HZ3 H 14.682 7.432 -2.798 1.00 . B B . 16 LYS HZ3 1 1
11 5923 2 1 17 LYS N N 10.126 6.773 1.744 1.00 . B B . 16 LYS N 1 1
11 5924 2 1 17 LYS NZ N 14.533 7.947 -1.941 1.00 . B B . 16 LYS NZ 1 1
11 5925 2 1 17 LYS O O 9.628 10.136 2.484 1.00 . B B . 16 LYS O 1 1
11 5926 2 1 18 NH2 HN1 H 7.755 7.990 1.193 1.00 . B B . 17 NH2 HN1 1 1
11 5927 2 1 18 NH2 HN2 H 7.302 9.439 2.068 1.00 . B B . 17 NH2 HN2 1 1
11 5928 2 1 18 NH2 N N 8.012 8.819 1.709 1.00 . B B . 17 NH2 N 1 1
11 5929 3 2 1 ZN ZN ZN 0.583 -0.246 1.945 1.00 . C A . 101 ZN ZN 1 1
12 5930 1 1 1 ACE C C -11.609 -4.804 -2.168 1.00 . A A . 0 ACE C 1 1
12 5931 1 1 1 ACE CH3 C -10.179 -5.052 -1.733 1.00 . A A . 0 ACE CH3 1 1
12 5932 1 1 1 ACE H1 H -9.913 -6.066 -2.024 1.00 . A A . 0 ACE H1 1 1
12 5933 1 1 1 ACE H2 H -9.509 -4.342 -2.217 1.00 . A A . 0 ACE H2 1 1
12 5934 1 1 1 ACE H3 H -10.095 -4.956 -0.651 1.00 . A A . 0 ACE H3 1 1
12 5935 1 1 1 ACE O O -11.837 -4.227 -3.224 1.00 . A A . 0 ACE O 1 1
12 5936 1 1 2 ASP C C -14.612 -3.938 -1.807 1.00 . A A . 1 ASP C 1 1
12 5937 1 1 2 ASP CA C -13.985 -5.328 -1.634 1.00 . A A . 1 ASP CA 1 1
12 5938 1 1 2 ASP CB C -14.633 -6.115 -0.485 1.00 . A A . 1 ASP CB 1 1
12 5939 1 1 2 ASP CG C -15.888 -6.892 -0.860 1.00 . A A . 1 ASP CG 1 1
12 5940 1 1 2 ASP H H -12.256 -5.715 -0.494 1.00 . A A . 1 ASP H 1 1
12 5941 1 1 2 ASP HA H -14.124 -5.888 -2.556 1.00 . A A . 1 ASP HA 1 1
12 5942 1 1 2 ASP HB2 H -13.913 -6.858 -0.150 1.00 . A A . 1 ASP HB2 1 1
12 5943 1 1 2 ASP HB3 H -14.842 -5.450 0.352 1.00 . A A . 1 ASP HB3 1 1
12 5944 1 1 2 ASP N N -12.555 -5.272 -1.352 1.00 . A A . 1 ASP N 1 1
12 5945 1 1 2 ASP O O -14.039 -2.946 -1.370 1.00 . A A . 1 ASP O 1 1
12 5946 1 1 2 ASP OD1 O -16.716 -6.384 -1.633 1.00 . A A . 1 ASP OD1 1 1
12 5947 1 1 2 ASP OD2 O -16.014 -8.022 -0.350 1.00 . A A . 1 ASP OD2 1 1
12 5948 1 1 3 ALA C C -16.732 -1.789 -1.469 1.00 . A A . 2 ALA C 1 1
12 5949 1 1 3 ALA CA C -16.598 -2.698 -2.695 1.00 . A A . 2 ALA CA 1 1
12 5950 1 1 3 ALA CB C -17.978 -3.147 -3.191 1.00 . A A . 2 ALA CB 1 1
12 5951 1 1 3 ALA H H -16.196 -4.763 -2.743 1.00 . A A . 2 ALA H 1 1
12 5952 1 1 3 ALA HA H -16.117 -2.132 -3.490 1.00 . A A . 2 ALA HA 1 1
12 5953 1 1 3 ALA HB1 H -18.463 -3.779 -2.447 1.00 . A A . 2 ALA HB1 1 1
12 5954 1 1 3 ALA HB2 H -18.606 -2.276 -3.371 1.00 . A A . 2 ALA HB2 1 1
12 5955 1 1 3 ALA HB3 H -17.873 -3.705 -4.120 1.00 . A A . 2 ALA HB3 1 1
12 5956 1 1 3 ALA N N -15.799 -3.889 -2.430 1.00 . A A . 2 ALA N 1 1
12 5957 1 1 3 ALA O O -16.437 -0.604 -1.575 1.00 . A A . 2 ALA O 1 1
12 5958 1 1 4 GLU C C -16.011 -0.990 1.521 1.00 . A A . 3 GLU C 1 1
12 5959 1 1 4 GLU CA C -17.289 -1.624 0.956 1.00 . A A . 3 GLU CA 1 1
12 5960 1 1 4 GLU CB C -17.839 -2.602 1.997 1.00 . A A . 3 GLU CB 1 1
12 5961 1 1 4 GLU CD C -17.369 -4.698 3.274 1.00 . A A . 3 GLU CD 1 1
12 5962 1 1 4 GLU CG C -16.803 -3.689 2.309 1.00 . A A . 3 GLU CG 1 1
12 5963 1 1 4 GLU H H -17.317 -3.331 -0.304 1.00 . A A . 3 GLU H 1 1
12 5964 1 1 4 GLU HA H -18.021 -0.833 0.805 1.00 . A A . 3 GLU HA 1 1
12 5965 1 1 4 GLU HB2 H -18.080 -2.057 2.910 1.00 . A A . 3 GLU HB2 1 1
12 5966 1 1 4 GLU HB3 H -18.751 -3.062 1.622 1.00 . A A . 3 GLU HB3 1 1
12 5967 1 1 4 GLU HG2 H -16.488 -4.180 1.393 1.00 . A A . 3 GLU HG2 1 1
12 5968 1 1 4 GLU HG3 H -15.932 -3.244 2.785 1.00 . A A . 3 GLU HG3 1 1
12 5969 1 1 4 GLU N N -17.114 -2.342 -0.312 1.00 . A A . 3 GLU N 1 1
12 5970 1 1 4 GLU O O -16.098 -0.226 2.480 1.00 . A A . 3 GLU O 1 1
12 5971 1 1 4 GLU OE1 O -17.563 -4.363 4.428 1.00 . A A . 3 GLU OE1 1 1
12 5972 1 1 4 GLU OE2 O -17.606 -5.850 2.790 1.00 . A A . 3 GLU OE2 1 1
12 5973 1 1 5 PHE C C -13.009 0.089 0.131 1.00 . A A . 4 PHE C 1 1
12 5974 1 1 5 PHE CA C -13.549 -0.738 1.289 1.00 . A A . 4 PHE CA 1 1
12 5975 1 1 5 PHE CB C -12.555 -1.840 1.644 1.00 . A A . 4 PHE CB 1 1
12 5976 1 1 5 PHE CD1 C -13.584 -2.293 3.915 1.00 . A A . 4 PHE CD1 1 1
12 5977 1 1 5 PHE CD2 C -13.037 -4.168 2.472 1.00 . A A . 4 PHE CD2 1 1
12 5978 1 1 5 PHE CE1 C -14.044 -3.178 4.901 1.00 . A A . 4 PHE CE1 1 1
12 5979 1 1 5 PHE CE2 C -13.496 -5.055 3.456 1.00 . A A . 4 PHE CE2 1 1
12 5980 1 1 5 PHE CG C -13.063 -2.786 2.706 1.00 . A A . 4 PHE CG 1 1
12 5981 1 1 5 PHE CZ C -13.993 -4.561 4.674 1.00 . A A . 4 PHE CZ 1 1
12 5982 1 1 5 PHE H H -14.846 -2.065 0.275 1.00 . A A . 4 PHE H 1 1
12 5983 1 1 5 PHE HA H -13.658 -0.072 2.142 1.00 . A A . 4 PHE HA 1 1
12 5984 1 1 5 PHE HB2 H -12.318 -2.403 0.740 1.00 . A A . 4 PHE HB2 1 1
12 5985 1 1 5 PHE HB3 H -11.632 -1.382 1.999 1.00 . A A . 4 PHE HB3 1 1
12 5986 1 1 5 PHE HD1 H -13.659 -1.232 4.076 1.00 . A A . 4 PHE HD1 1 1
12 5987 1 1 5 PHE HD2 H -12.670 -4.536 1.529 1.00 . A A . 4 PHE HD2 1 1
12 5988 1 1 5 PHE HE1 H -14.451 -2.794 5.821 1.00 . A A . 4 PHE HE1 1 1
12 5989 1 1 5 PHE HE2 H -13.471 -6.116 3.273 1.00 . A A . 4 PHE HE2 1 1
12 5990 1 1 5 PHE HZ H -14.345 -5.242 5.432 1.00 . A A . 4 PHE HZ 1 1
12 5991 1 1 5 PHE N N -14.841 -1.336 0.973 1.00 . A A . 4 PHE N 1 1
12 5992 1 1 5 PHE O O -12.169 0.953 0.357 1.00 . A A . 4 PHE O 1 1
12 5993 1 1 6 ARG C C -14.236 2.053 -2.026 1.00 . A A . 5 ARG C 1 1
12 5994 1 1 6 ARG CA C -13.345 0.816 -2.194 1.00 . A A . 5 ARG CA 1 1
12 5995 1 1 6 ARG CB C -13.569 0.074 -3.519 1.00 . A A . 5 ARG CB 1 1
12 5996 1 1 6 ARG CD C -11.090 -0.734 -3.465 1.00 . A A . 5 ARG CD 1 1
12 5997 1 1 6 ARG CG C -12.544 -1.021 -3.869 1.00 . A A . 5 ARG CG 1 1
12 5998 1 1 6 ARG CZ C -9.484 1.168 -3.570 1.00 . A A . 5 ARG CZ 1 1
12 5999 1 1 6 ARG H H -14.200 -0.844 -1.220 1.00 . A A . 5 ARG H 1 1
12 6000 1 1 6 ARG HA H -12.325 1.188 -2.155 1.00 . A A . 5 ARG HA 1 1
12 6001 1 1 6 ARG HB2 H -14.556 -0.380 -3.486 1.00 . A A . 5 ARG HB2 1 1
12 6002 1 1 6 ARG HB3 H -13.563 0.803 -4.325 1.00 . A A . 5 ARG HB3 1 1
12 6003 1 1 6 ARG HD2 H -11.007 -0.824 -2.383 1.00 . A A . 5 ARG HD2 1 1
12 6004 1 1 6 ARG HD3 H -10.430 -1.472 -3.912 1.00 . A A . 5 ARG HD3 1 1
12 6005 1 1 6 ARG HE H -11.386 1.216 -4.225 1.00 . A A . 5 ARG HE 1 1
12 6006 1 1 6 ARG HG2 H -12.853 -1.939 -3.382 1.00 . A A . 5 ARG HG2 1 1
12 6007 1 1 6 ARG HG3 H -12.586 -1.195 -4.944 1.00 . A A . 5 ARG HG3 1 1
12 6008 1 1 6 ARG HH11 H -8.537 -0.570 -3.097 1.00 . A A . 5 ARG HH11 1 1
12 6009 1 1 6 ARG HH12 H -7.583 0.882 -2.914 1.00 . A A . 5 ARG HH12 1 1
12 6010 1 1 6 ARG HH21 H -10.138 3.060 -3.917 1.00 . A A . 5 ARG HH21 1 1
12 6011 1 1 6 ARG HH22 H -8.476 2.930 -3.389 1.00 . A A . 5 ARG HH22 1 1
12 6012 1 1 6 ARG N N -13.531 -0.099 -1.084 1.00 . A A . 5 ARG N 1 1
12 6013 1 1 6 ARG NE N -10.662 0.610 -3.865 1.00 . A A . 5 ARG NE 1 1
12 6014 1 1 6 ARG NH1 N -8.447 0.431 -3.179 1.00 . A A . 5 ARG NH1 1 1
12 6015 1 1 6 ARG NH2 N -9.347 2.490 -3.650 1.00 . A A . 5 ARG NH2 1 1
12 6016 1 1 6 ARG O O -14.907 2.486 -2.957 1.00 . A A . 5 ARG O 1 1
12 6017 1 1 7 ARG C C -13.806 4.992 -0.699 1.00 . A A . 6 ARG C 1 1
12 6018 1 1 7 ARG CA C -14.813 3.880 -0.435 1.00 . A A . 6 ARG CA 1 1
12 6019 1 1 7 ARG CB C -15.135 3.873 1.066 1.00 . A A . 6 ARG CB 1 1
12 6020 1 1 7 ARG CD C -17.380 2.605 0.929 1.00 . A A . 6 ARG CD 1 1
12 6021 1 1 7 ARG CG C -15.973 2.680 1.525 1.00 . A A . 6 ARG CG 1 1
12 6022 1 1 7 ARG CZ C -18.213 2.190 -1.397 1.00 . A A . 6 ARG CZ 1 1
12 6023 1 1 7 ARG H H -13.669 2.170 -0.102 1.00 . A A . 6 ARG H 1 1
12 6024 1 1 7 ARG HA H -15.725 4.041 -1.001 1.00 . A A . 6 ARG HA 1 1
12 6025 1 1 7 ARG HB2 H -14.195 3.848 1.621 1.00 . A A . 6 ARG HB2 1 1
12 6026 1 1 7 ARG HB3 H -15.652 4.794 1.333 1.00 . A A . 6 ARG HB3 1 1
12 6027 1 1 7 ARG HD2 H -18.010 2.039 1.613 1.00 . A A . 6 ARG HD2 1 1
12 6028 1 1 7 ARG HD3 H -17.778 3.616 0.842 1.00 . A A . 6 ARG HD3 1 1
12 6029 1 1 7 ARG HE H -16.750 1.146 -0.477 1.00 . A A . 6 ARG HE 1 1
12 6030 1 1 7 ARG HG2 H -15.425 1.773 1.292 1.00 . A A . 6 ARG HG2 1 1
12 6031 1 1 7 ARG HG3 H -16.079 2.742 2.602 1.00 . A A . 6 ARG HG3 1 1
12 6032 1 1 7 ARG HH11 H -19.244 3.675 -0.472 1.00 . A A . 6 ARG HH11 1 1
12 6033 1 1 7 ARG HH12 H -19.751 3.315 -2.106 1.00 . A A . 6 ARG HH12 1 1
12 6034 1 1 7 ARG HH21 H -17.457 0.732 -2.593 1.00 . A A . 6 ARG HH21 1 1
12 6035 1 1 7 ARG HH22 H -18.760 1.666 -3.286 1.00 . A A . 6 ARG HH22 1 1
12 6036 1 1 7 ARG N N -14.226 2.615 -0.816 1.00 . A A . 6 ARG N 1 1
12 6037 1 1 7 ARG NE N -17.393 1.920 -0.371 1.00 . A A . 6 ARG NE 1 1
12 6038 1 1 7 ARG NH1 N -19.132 3.150 -1.327 1.00 . A A . 6 ARG NH1 1 1
12 6039 1 1 7 ARG NH2 N -18.128 1.482 -2.521 1.00 . A A . 6 ARG NH2 1 1
12 6040 1 1 7 ARG O O -12.598 4.763 -0.697 1.00 . A A . 6 ARG O 1 1
12 6041 1 1 8 ASP C C -12.977 7.727 0.653 1.00 . A A . 7 ASP C 1 1
12 6042 1 1 8 ASP CA C -13.527 7.434 -0.756 1.00 . A A . 7 ASP CA 1 1
12 6043 1 1 8 ASP CB C -14.451 8.569 -1.199 1.00 . A A . 7 ASP CB 1 1
12 6044 1 1 8 ASP CG C -13.682 9.870 -1.278 1.00 . A A . 7 ASP CG 1 1
12 6045 1 1 8 ASP H H -15.320 6.324 -0.790 1.00 . A A . 7 ASP H 1 1
12 6046 1 1 8 ASP HA H -12.696 7.353 -1.457 1.00 . A A . 7 ASP HA 1 1
12 6047 1 1 8 ASP HB2 H -14.874 8.335 -2.173 1.00 . A A . 7 ASP HB2 1 1
12 6048 1 1 8 ASP HB3 H -15.266 8.682 -0.482 1.00 . A A . 7 ASP HB3 1 1
12 6049 1 1 8 ASP N N -14.316 6.216 -0.809 1.00 . A A . 7 ASP N 1 1
12 6050 1 1 8 ASP O O -12.051 8.524 0.802 1.00 . A A . 7 ASP O 1 1
12 6051 1 1 8 ASP OD1 O -12.815 9.962 -2.174 1.00 . A A . 7 ASP OD1 1 1
12 6052 1 1 8 ASP OD2 O -13.912 10.732 -0.421 1.00 . A A . 7 ASP OD2 1 1
12 6053 1 1 9 SER C C -12.114 6.968 3.746 1.00 . A A . 8 SER C 1 1
12 6054 1 1 9 SER CA C -13.408 7.474 3.085 1.00 . A A . 8 SER CA 1 1
12 6055 1 1 9 SER CB C -14.647 6.989 3.859 1.00 . A A . 8 SER CB 1 1
12 6056 1 1 9 SER H H -14.332 6.487 1.484 1.00 . A A . 8 SER H 1 1
12 6057 1 1 9 SER HA H -13.385 8.560 3.130 1.00 . A A . 8 SER HA 1 1
12 6058 1 1 9 SER HB2 H -14.677 5.899 3.850 1.00 . A A . 8 SER HB2 1 1
12 6059 1 1 9 SER HB3 H -14.591 7.334 4.891 1.00 . A A . 8 SER HB3 1 1
12 6060 1 1 9 SER HG H -15.827 8.448 3.355 1.00 . A A . 8 SER HG 1 1
12 6061 1 1 9 SER N N -13.565 7.108 1.685 1.00 . A A . 8 SER N 1 1
12 6062 1 1 9 SER O O -12.099 6.844 4.966 1.00 . A A . 8 SER O 1 1
12 6063 1 1 9 SER OG O -15.838 7.490 3.288 1.00 . A A . 8 SER OG 1 1
12 6064 1 1 10 GLY C C -8.655 6.919 2.725 1.00 . A A . 9 GLY C 1 1
12 6065 1 1 10 GLY CA C -9.756 6.272 3.560 1.00 . A A . 9 GLY CA 1 1
12 6066 1 1 10 GLY H H -11.047 6.822 2.002 1.00 . A A . 9 GLY H 1 1
12 6067 1 1 10 GLY HA2 H -9.659 6.592 4.597 1.00 . A A . 9 GLY HA2 1 1
12 6068 1 1 10 GLY HA3 H -9.688 5.191 3.541 1.00 . A A . 9 GLY HA3 1 1
12 6069 1 1 10 GLY N N -11.041 6.665 3.001 1.00 . A A . 9 GLY N 1 1
12 6070 1 1 10 GLY O O -8.674 8.133 2.575 1.00 . A A . 9 GLY O 1 1
12 6071 1 1 11 TYR C C -6.136 4.360 1.683 1.00 . A A . 10 TYR C 1 1
12 6072 1 1 11 TYR CA C -7.493 4.757 2.242 1.00 . A A . 10 TYR CA 1 1
12 6073 1 1 11 TYR CB C -8.557 4.026 1.411 1.00 . A A . 10 TYR CB 1 1
12 6074 1 1 11 TYR CD1 C -8.777 2.088 3.010 1.00 . A A . 10 TYR CD1 1 1
12 6075 1 1 11 TYR CD2 C -10.792 3.146 2.137 1.00 . A A . 10 TYR CD2 1 1
12 6076 1 1 11 TYR CE1 C -9.552 1.174 3.731 1.00 . A A . 10 TYR CE1 1 1
12 6077 1 1 11 TYR CE2 C -11.576 2.239 2.859 1.00 . A A . 10 TYR CE2 1 1
12 6078 1 1 11 TYR CG C -9.393 3.060 2.204 1.00 . A A . 10 TYR CG 1 1
12 6079 1 1 11 TYR CZ C -10.958 1.231 3.628 1.00 . A A . 10 TYR CZ 1 1
12 6080 1 1 11 TYR H H -7.113 6.637 1.480 1.00 . A A . 10 TYR H 1 1
12 6081 1 1 11 TYR HA H -7.546 4.456 3.288 1.00 . A A . 10 TYR HA 1 1
12 6082 1 1 11 TYR HB2 H -9.212 4.740 0.915 1.00 . A A . 10 TYR HB2 1 1
12 6083 1 1 11 TYR HB3 H -8.073 3.466 0.615 1.00 . A A . 10 TYR HB3 1 1
12 6084 1 1 11 TYR HD1 H -7.706 2.029 3.076 1.00 . A A . 10 TYR HD1 1 1
12 6085 1 1 11 TYR HD2 H -11.260 3.904 1.527 1.00 . A A . 10 TYR HD2 1 1
12 6086 1 1 11 TYR HE1 H -9.065 0.438 4.349 1.00 . A A . 10 TYR HE1 1 1
12 6087 1 1 11 TYR HE2 H -12.650 2.298 2.800 1.00 . A A . 10 TYR HE2 1 1
12 6088 1 1 11 TYR HH H -11.200 -0.310 4.781 1.00 . A A . 10 TYR HH 1 1
12 6089 1 1 11 TYR N N -7.690 6.185 2.163 1.00 . A A . 10 TYR N 1 1
12 6090 1 1 11 TYR O O -5.664 4.917 0.692 1.00 . A A . 10 TYR O 1 1
12 6091 1 1 11 TYR OH O -11.724 0.319 4.276 1.00 . A A . 10 TYR OH 1 1
12 6092 1 1 12 GLU C C -5.549 0.901 1.800 1.00 . A A . 11 GLU C 1 1
12 6093 1 1 12 GLU CA C -4.948 2.264 1.422 1.00 . A A . 11 GLU CA 1 1
12 6094 1 1 12 GLU CB C -3.445 2.362 1.659 1.00 . A A . 11 GLU CB 1 1
12 6095 1 1 12 GLU CD C -1.274 1.305 0.914 1.00 . A A . 11 GLU CD 1 1
12 6096 1 1 12 GLU CG C -2.688 1.695 0.509 1.00 . A A . 11 GLU CG 1 1
12 6097 1 1 12 GLU H H -6.009 2.915 3.088 1.00 . A A . 11 GLU H 1 1
12 6098 1 1 12 GLU HA H -5.140 2.475 0.373 1.00 . A A . 11 GLU HA 1 1
12 6099 1 1 12 GLU HB2 H -3.147 3.410 1.710 1.00 . A A . 11 GLU HB2 1 1
12 6100 1 1 12 GLU HB3 H -3.212 1.892 2.610 1.00 . A A . 11 GLU HB3 1 1
12 6101 1 1 12 GLU HG2 H -3.224 0.795 0.202 1.00 . A A . 11 GLU HG2 1 1
12 6102 1 1 12 GLU HG3 H -2.650 2.376 -0.341 1.00 . A A . 11 GLU HG3 1 1
12 6103 1 1 12 GLU N N -5.622 3.255 2.222 1.00 . A A . 11 GLU N 1 1
12 6104 1 1 12 GLU O O -5.224 0.331 2.842 1.00 . A A . 11 GLU O 1 1
12 6105 1 1 12 GLU OE1 O -0.593 2.151 1.548 1.00 . A A . 11 GLU OE1 1 1
12 6106 1 1 12 GLU OE2 O -0.878 0.176 0.637 1.00 . A A . 11 GLU OE2 1 1
12 6107 1 1 13 VAL C C -6.305 -2.072 1.088 1.00 . A A . 12 VAL C 1 1
12 6108 1 1 13 VAL CA C -7.218 -0.842 1.115 1.00 . A A . 12 VAL CA 1 1
12 6109 1 1 13 VAL CB C -8.285 -0.941 0.006 1.00 . A A . 12 VAL CB 1 1
12 6110 1 1 13 VAL CG1 C -9.069 -2.263 -0.003 1.00 . A A . 12 VAL CG1 1 1
12 6111 1 1 13 VAL CG2 C -9.303 0.187 0.151 1.00 . A A . 12 VAL CG2 1 1
12 6112 1 1 13 VAL H H -6.685 0.945 0.130 1.00 . A A . 12 VAL H 1 1
12 6113 1 1 13 VAL HA H -7.729 -0.796 2.069 1.00 . A A . 12 VAL HA 1 1
12 6114 1 1 13 VAL HB H -7.787 -0.832 -0.952 1.00 . A A . 12 VAL HB 1 1
12 6115 1 1 13 VAL HG11 H -9.885 -2.211 -0.724 1.00 . A A . 12 VAL HG11 1 1
12 6116 1 1 13 VAL HG12 H -8.416 -3.083 -0.301 1.00 . A A . 12 VAL HG12 1 1
12 6117 1 1 13 VAL HG13 H -9.479 -2.465 0.986 1.00 . A A . 12 VAL HG13 1 1
12 6118 1 1 13 VAL HG21 H -10.013 0.129 -0.669 1.00 . A A . 12 VAL HG21 1 1
12 6119 1 1 13 VAL HG22 H -9.818 0.082 1.103 1.00 . A A . 12 VAL HG22 1 1
12 6120 1 1 13 VAL HG23 H -8.813 1.155 0.105 1.00 . A A . 12 VAL HG23 1 1
12 6121 1 1 13 VAL N N -6.460 0.404 0.951 1.00 . A A . 12 VAL N 1 1
12 6122 1 1 13 VAL O O -6.683 -3.145 1.549 1.00 . A A . 12 VAL O 1 1
12 6123 1 1 14 HIS C C -3.714 -3.300 2.087 1.00 . A A . 13 HIS C 1 1
12 6124 1 1 14 HIS CA C -4.073 -2.945 0.632 1.00 . A A . 13 HIS CA 1 1
12 6125 1 1 14 HIS CB C -2.892 -2.444 -0.207 1.00 . A A . 13 HIS CB 1 1
12 6126 1 1 14 HIS CD2 C -1.121 -4.257 -0.557 1.00 . A A . 13 HIS CD2 1 1
12 6127 1 1 14 HIS CE1 C 0.457 -3.516 0.764 1.00 . A A . 13 HIS CE1 1 1
12 6128 1 1 14 HIS CG C -1.579 -3.125 0.047 1.00 . A A . 13 HIS CG 1 1
12 6129 1 1 14 HIS H H -4.825 -1.027 0.182 1.00 . A A . 13 HIS H 1 1
12 6130 1 1 14 HIS HA H -4.504 -3.827 0.161 1.00 . A A . 13 HIS HA 1 1
12 6131 1 1 14 HIS HB2 H -3.144 -2.552 -1.263 1.00 . A A . 13 HIS HB2 1 1
12 6132 1 1 14 HIS HB3 H -2.749 -1.385 -0.017 1.00 . A A . 13 HIS HB3 1 1
12 6133 1 1 14 HIS HD1 H -0.595 -1.821 1.412 1.00 . A A . 13 HIS HD1 1 1
12 6134 1 1 14 HIS HD2 H -1.658 -4.849 -1.273 1.00 . A A . 13 HIS HD2 1 1
12 6135 1 1 14 HIS HE1 H 1.402 -3.404 1.275 1.00 . A A . 13 HIS HE1 1 1
12 6136 1 1 14 HIS N N -5.083 -1.917 0.584 1.00 . A A . 13 HIS N 1 1
12 6137 1 1 14 HIS ND1 N -0.580 -2.678 0.876 1.00 . A A . 13 HIS ND1 1 1
12 6138 1 1 14 HIS NE2 N 0.171 -4.502 -0.096 1.00 . A A . 13 HIS NE2 1 1
12 6139 1 1 14 HIS O O -3.361 -4.447 2.343 1.00 . A A . 13 HIS O 1 1
12 6140 1 1 15 HIS C C -5.055 -2.975 5.178 1.00 . A A . 14 HIS C 1 1
12 6141 1 1 15 HIS CA C -3.731 -2.660 4.476 1.00 . A A . 14 HIS CA 1 1
12 6142 1 1 15 HIS CB C -2.983 -1.518 5.163 1.00 . A A . 14 HIS CB 1 1
12 6143 1 1 15 HIS CD2 C -1.189 -0.332 3.818 1.00 . A A . 14 HIS CD2 1 1
12 6144 1 1 15 HIS CE1 C 0.416 -1.816 3.882 1.00 . A A . 14 HIS CE1 1 1
12 6145 1 1 15 HIS CG C -1.604 -1.364 4.601 1.00 . A A . 14 HIS CG 1 1
12 6146 1 1 15 HIS H H -4.185 -1.448 2.792 1.00 . A A . 14 HIS H 1 1
12 6147 1 1 15 HIS HA H -3.112 -3.548 4.582 1.00 . A A . 14 HIS HA 1 1
12 6148 1 1 15 HIS HB2 H -3.529 -0.587 5.017 1.00 . A A . 14 HIS HB2 1 1
12 6149 1 1 15 HIS HB3 H -2.905 -1.715 6.231 1.00 . A A . 14 HIS HB3 1 1
12 6150 1 1 15 HIS HD1 H -0.604 -3.176 5.116 1.00 . A A . 14 HIS HD1 1 1
12 6151 1 1 15 HIS HD2 H -1.774 0.540 3.576 1.00 . A A . 14 HIS HD2 1 1
12 6152 1 1 15 HIS HE1 H 1.347 -2.327 3.692 1.00 . A A . 14 HIS HE1 1 1
12 6153 1 1 15 HIS N N -3.878 -2.376 3.048 1.00 . A A . 14 HIS N 1 1
12 6154 1 1 15 HIS ND1 N -0.588 -2.290 4.632 1.00 . A A . 14 HIS ND1 1 1
12 6155 1 1 15 HIS NE2 N 0.090 -0.629 3.359 1.00 . A A . 14 HIS NE2 1 1
12 6156 1 1 15 HIS O O -5.011 -3.552 6.261 1.00 . A A . 14 HIS O 1 1
12 6157 1 1 16 GLN C C -7.321 -4.887 4.759 1.00 . A A . 15 GLN C 1 1
12 6158 1 1 16 GLN CA C -7.459 -3.375 4.943 1.00 . A A . 15 GLN CA 1 1
12 6159 1 1 16 GLN CB C -8.612 -2.856 4.084 1.00 . A A . 15 GLN CB 1 1
12 6160 1 1 16 GLN CD C -10.368 -2.520 5.893 1.00 . A A . 15 GLN CD 1 1
12 6161 1 1 16 GLN CG C -9.979 -3.267 4.625 1.00 . A A . 15 GLN CG 1 1
12 6162 1 1 16 GLN H H -6.235 -2.211 3.688 1.00 . A A . 15 GLN H 1 1
12 6163 1 1 16 GLN HA H -7.664 -3.150 5.981 1.00 . A A . 15 GLN HA 1 1
12 6164 1 1 16 GLN HB2 H -8.553 -1.774 3.997 1.00 . A A . 15 GLN HB2 1 1
12 6165 1 1 16 GLN HB3 H -8.525 -3.286 3.096 1.00 . A A . 15 GLN HB3 1 1
12 6166 1 1 16 GLN HE21 H -10.899 -4.232 6.847 1.00 . A A . 15 GLN HE21 1 1
12 6167 1 1 16 GLN HE22 H -11.107 -2.756 7.765 1.00 . A A . 15 GLN HE22 1 1
12 6168 1 1 16 GLN HG2 H -10.715 -3.056 3.857 1.00 . A A . 15 GLN HG2 1 1
12 6169 1 1 16 GLN HG3 H -9.984 -4.337 4.808 1.00 . A A . 15 GLN HG3 1 1
12 6170 1 1 16 GLN N N -6.219 -2.714 4.559 1.00 . A A . 15 GLN N 1 1
12 6171 1 1 16 GLN NE2 N -10.824 -3.228 6.920 1.00 . A A . 15 GLN NE2 1 1
12 6172 1 1 16 GLN O O -7.813 -5.641 5.588 1.00 . A A . 15 GLN O 1 1
12 6173 1 1 16 GLN OE1 O -10.259 -1.303 5.957 1.00 . A A . 15 GLN OE1 1 1
12 6174 1 1 17 LYS C C -4.956 -7.102 4.083 1.00 . A A . 16 LYS C 1 1
12 6175 1 1 17 LYS CA C -6.246 -6.672 3.377 1.00 . A A . 16 LYS CA 1 1
12 6176 1 1 17 LYS CB C -6.044 -6.781 1.863 1.00 . A A . 16 LYS CB 1 1
12 6177 1 1 17 LYS CD C -7.108 -6.591 -0.416 1.00 . A A . 16 LYS CD 1 1
12 6178 1 1 17 LYS CE C -6.436 -7.828 -1.013 1.00 . A A . 16 LYS CE 1 1
12 6179 1 1 17 LYS CG C -7.361 -6.641 1.094 1.00 . A A . 16 LYS CG 1 1
12 6180 1 1 17 LYS H H -6.293 -4.588 3.055 1.00 . A A . 16 LYS H 1 1
12 6181 1 1 17 LYS HA H -7.045 -7.348 3.677 1.00 . A A . 16 LYS HA 1 1
12 6182 1 1 17 LYS HB2 H -5.350 -6.006 1.538 1.00 . A A . 16 LYS HB2 1 1
12 6183 1 1 17 LYS HB3 H -5.606 -7.752 1.630 1.00 . A A . 16 LYS HB3 1 1
12 6184 1 1 17 LYS HD2 H -8.057 -6.449 -0.918 1.00 . A A . 16 LYS HD2 1 1
12 6185 1 1 17 LYS HD3 H -6.480 -5.726 -0.621 1.00 . A A . 16 LYS HD3 1 1
12 6186 1 1 17 LYS HE2 H -6.307 -7.673 -2.084 1.00 . A A . 16 LYS HE2 1 1
12 6187 1 1 17 LYS HE3 H -5.459 -7.965 -0.555 1.00 . A A . 16 LYS HE3 1 1
12 6188 1 1 17 LYS HG2 H -8.015 -7.476 1.342 1.00 . A A . 16 LYS HG2 1 1
12 6189 1 1 17 LYS HG3 H -7.861 -5.716 1.380 1.00 . A A . 16 LYS HG3 1 1
12 6190 1 1 17 LYS HZ1 H -7.327 -9.222 0.182 1.00 . A A . 16 LYS HZ1 1 1
12 6191 1 1 17 LYS HZ2 H -8.150 -8.926 -1.207 1.00 . A A . 16 LYS HZ2 1 1
12 6192 1 1 17 LYS HZ3 H -6.775 -9.835 -1.243 1.00 . A A . 16 LYS HZ3 1 1
12 6193 1 1 17 LYS N N -6.622 -5.299 3.693 1.00 . A A . 16 LYS N 1 1
12 6194 1 1 17 LYS NZ N -7.229 -9.046 -0.808 1.00 . A A . 16 LYS NZ 1 1
12 6195 1 1 17 LYS O O -4.593 -8.269 4.002 1.00 . A A . 16 LYS O 1 1
12 6196 1 1 18 NH2 HN1 H -3.399 -6.485 5.235 1.00 . A A . 17 NH2 HN1 1 1
12 6197 1 1 18 NH2 HN2 H -4.561 -5.247 4.818 1.00 . A A . 17 NH2 HN2 1 1
12 6198 1 1 18 NH2 N N -4.241 -6.203 4.757 1.00 . A A . 17 NH2 N 1 1
12 6199 2 1 1 ACE C C 18.613 5.788 -7.852 1.00 . B B . 0 ACE C 1 1
12 6200 2 1 1 ACE CH3 C 18.326 6.189 -9.288 1.00 . B B . 0 ACE CH3 1 1
12 6201 2 1 1 ACE H1 H 19.005 6.984 -9.585 1.00 . B B . 0 ACE H1 1 1
12 6202 2 1 1 ACE H2 H 18.467 5.328 -9.938 1.00 . B B . 0 ACE H2 1 1
12 6203 2 1 1 ACE H3 H 17.301 6.542 -9.376 1.00 . B B . 0 ACE H3 1 1
12 6204 2 1 1 ACE O O 19.602 6.236 -7.284 1.00 . B B . 0 ACE O 1 1
12 6205 2 1 2 ASP C C 18.494 2.963 -6.058 1.00 . B B . 1 ASP C 1 1
12 6206 2 1 2 ASP CA C 17.921 4.369 -5.948 1.00 . B B . 1 ASP CA 1 1
12 6207 2 1 2 ASP CB C 16.573 4.330 -5.234 1.00 . B B . 1 ASP CB 1 1
12 6208 2 1 2 ASP CG C 16.159 5.725 -4.800 1.00 . B B . 1 ASP CG 1 1
12 6209 2 1 2 ASP H H 16.956 4.630 -7.804 1.00 . B B . 1 ASP H 1 1
12 6210 2 1 2 ASP HA H 18.605 4.982 -5.360 1.00 . B B . 1 ASP HA 1 1
12 6211 2 1 2 ASP HB2 H 15.810 3.913 -5.896 1.00 . B B . 1 ASP HB2 1 1
12 6212 2 1 2 ASP HB3 H 16.657 3.690 -4.360 1.00 . B B . 1 ASP HB3 1 1
12 6213 2 1 2 ASP N N 17.754 4.946 -7.273 1.00 . B B . 1 ASP N 1 1
12 6214 2 1 2 ASP O O 17.929 2.103 -6.733 1.00 . B B . 1 ASP O 1 1
12 6215 2 1 2 ASP OD1 O 16.826 6.226 -3.845 1.00 . B B . 1 ASP OD1 1 1
12 6216 2 1 2 ASP OD2 O 15.250 6.293 -5.382 1.00 . B B . 1 ASP OD2 1 1
12 6217 2 1 3 ALA C C 19.895 0.633 -4.190 1.00 . B B . 2 ALA C 1 1
12 6218 2 1 3 ALA CA C 20.338 1.488 -5.376 1.00 . B B . 2 ALA CA 1 1
12 6219 2 1 3 ALA CB C 21.844 1.774 -5.423 1.00 . B B . 2 ALA CB 1 1
12 6220 2 1 3 ALA H H 20.014 3.498 -4.834 1.00 . B B . 2 ALA H 1 1
12 6221 2 1 3 ALA HA H 20.085 0.938 -6.283 1.00 . B B . 2 ALA HA 1 1
12 6222 2 1 3 ALA HB1 H 22.076 2.331 -6.329 1.00 . B B . 2 ALA HB1 1 1
12 6223 2 1 3 ALA HB2 H 22.155 2.362 -4.563 1.00 . B B . 2 ALA HB2 1 1
12 6224 2 1 3 ALA HB3 H 22.393 0.835 -5.437 1.00 . B B . 2 ALA HB3 1 1
12 6225 2 1 3 ALA N N 19.613 2.741 -5.366 1.00 . B B . 2 ALA N 1 1
12 6226 2 1 3 ALA O O 18.893 -0.067 -4.309 1.00 . B B . 2 ALA O 1 1
12 6227 2 1 4 GLU C C 19.407 -0.997 -1.662 1.00 . B B . 3 GLU C 1 1
12 6228 2 1 4 GLU CA C 20.746 -0.418 -2.109 1.00 . B B . 3 GLU CA 1 1
12 6229 2 1 4 GLU CB C 21.576 0.044 -0.901 1.00 . B B . 3 GLU CB 1 1
12 6230 2 1 4 GLU CD C 21.765 1.628 1.049 1.00 . B B . 3 GLU CD 1 1
12 6231 2 1 4 GLU CG C 20.827 1.045 0.008 1.00 . B B . 3 GLU CG 1 1
12 6232 2 1 4 GLU H H 21.399 1.343 -3.053 1.00 . B B . 3 GLU H 1 1
12 6233 2 1 4 GLU HA H 21.301 -1.221 -2.588 1.00 . B B . 3 GLU HA 1 1
12 6234 2 1 4 GLU HB2 H 21.845 -0.824 -0.305 1.00 . B B . 3 GLU HB2 1 1
12 6235 2 1 4 GLU HB3 H 22.493 0.501 -1.259 1.00 . B B . 3 GLU HB3 1 1
12 6236 2 1 4 GLU HG2 H 20.385 1.819 -0.605 1.00 . B B . 3 GLU HG2 1 1
12 6237 2 1 4 GLU HG3 H 20.043 0.518 0.548 1.00 . B B . 3 GLU HG3 1 1
12 6238 2 1 4 GLU N N 20.654 0.663 -3.086 1.00 . B B . 3 GLU N 1 1
12 6239 2 1 4 GLU O O 19.276 -2.214 -1.628 1.00 . B B . 3 GLU O 1 1
12 6240 2 1 4 GLU OE1 O 22.717 1.069 1.414 1.00 . B B . 3 GLU OE1 1 1
12 6241 2 1 4 GLU OE2 O 21.362 2.807 1.507 1.00 . B B . 3 GLU OE2 1 1
12 6242 2 1 5 PHE C C 16.089 -0.823 -1.751 1.00 . B B . 4 PHE C 1 1
12 6243 2 1 5 PHE CA C 17.181 -0.570 -0.719 1.00 . B B . 4 PHE CA 1 1
12 6244 2 1 5 PHE CB C 16.706 0.495 0.271 1.00 . B B . 4 PHE CB 1 1
12 6245 2 1 5 PHE CD1 C 17.011 2.699 -0.917 1.00 . B B . 4 PHE CD1 1 1
12 6246 2 1 5 PHE CD2 C 14.769 1.781 -0.713 1.00 . B B . 4 PHE CD2 1 1
12 6247 2 1 5 PHE CE1 C 16.496 3.799 -1.621 1.00 . B B . 4 PHE CE1 1 1
12 6248 2 1 5 PHE CE2 C 14.260 2.857 -1.457 1.00 . B B . 4 PHE CE2 1 1
12 6249 2 1 5 PHE CG C 16.143 1.714 -0.424 1.00 . B B . 4 PHE CG 1 1
12 6250 2 1 5 PHE CZ C 15.118 3.884 -1.884 1.00 . B B . 4 PHE CZ 1 1
12 6251 2 1 5 PHE H H 18.591 0.844 -1.424 1.00 . B B . 4 PHE H 1 1
12 6252 2 1 5 PHE HA H 17.361 -1.483 -0.162 1.00 . B B . 4 PHE HA 1 1
12 6253 2 1 5 PHE HB2 H 15.924 0.061 0.895 1.00 . B B . 4 PHE HB2 1 1
12 6254 2 1 5 PHE HB3 H 17.528 0.782 0.927 1.00 . B B . 4 PHE HB3 1 1
12 6255 2 1 5 PHE HD1 H 18.074 2.592 -0.773 1.00 . B B . 4 PHE HD1 1 1
12 6256 2 1 5 PHE HD2 H 14.121 0.968 -0.413 1.00 . B B . 4 PHE HD2 1 1
12 6257 2 1 5 PHE HE1 H 17.165 4.567 -1.972 1.00 . B B . 4 PHE HE1 1 1
12 6258 2 1 5 PHE HE2 H 13.213 2.888 -1.711 1.00 . B B . 4 PHE HE2 1 1
12 6259 2 1 5 PHE HZ H 14.723 4.721 -2.440 1.00 . B B . 4 PHE HZ 1 1
12 6260 2 1 5 PHE N N 18.426 -0.148 -1.337 1.00 . B B . 4 PHE N 1 1
12 6261 2 1 5 PHE O O 15.157 -1.555 -1.447 1.00 . B B . 4 PHE O 1 1
12 6262 2 1 6 ARG C C 15.303 -1.553 -4.764 1.00 . B B . 5 ARG C 1 1
12 6263 2 1 6 ARG CA C 15.130 -0.265 -3.955 1.00 . B B . 5 ARG CA 1 1
12 6264 2 1 6 ARG CB C 15.175 1.047 -4.748 1.00 . B B . 5 ARG CB 1 1
12 6265 2 1 6 ARG CD C 12.679 0.819 -5.371 1.00 . B B . 5 ARG CD 1 1
12 6266 2 1 6 ARG CG C 14.089 1.234 -5.814 1.00 . B B . 5 ARG CG 1 1
12 6267 2 1 6 ARG CZ C 12.020 -1.098 -6.842 1.00 . B B . 5 ARG CZ 1 1
12 6268 2 1 6 ARG H H 16.958 0.386 -3.143 1.00 . B B . 5 ARG H 1 1
12 6269 2 1 6 ARG HA H 14.169 -0.316 -3.444 1.00 . B B . 5 ARG HA 1 1
12 6270 2 1 6 ARG HB2 H 15.074 1.864 -4.034 1.00 . B B . 5 ARG HB2 1 1
12 6271 2 1 6 ARG HB3 H 16.148 1.140 -5.222 1.00 . B B . 5 ARG HB3 1 1
12 6272 2 1 6 ARG HD2 H 12.559 1.008 -4.304 1.00 . B B . 5 ARG HD2 1 1
12 6273 2 1 6 ARG HD3 H 11.947 1.432 -5.894 1.00 . B B . 5 ARG HD3 1 1
12 6274 2 1 6 ARG HE H 12.510 -1.246 -4.886 1.00 . B B . 5 ARG HE 1 1
12 6275 2 1 6 ARG HG2 H 14.065 2.290 -6.081 1.00 . B B . 5 ARG HG2 1 1
12 6276 2 1 6 ARG HG3 H 14.378 0.676 -6.702 1.00 . B B . 5 ARG HG3 1 1
12 6277 2 1 6 ARG HH11 H 11.981 0.682 -7.832 1.00 . B B . 5 ARG HH11 1 1
12 6278 2 1 6 ARG HH12 H 11.543 -0.716 -8.786 1.00 . B B . 5 ARG HH12 1 1
12 6279 2 1 6 ARG HH21 H 11.936 -3.024 -6.179 1.00 . B B . 5 ARG HH21 1 1
12 6280 2 1 6 ARG HH22 H 11.502 -2.784 -7.856 1.00 . B B . 5 ARG HH22 1 1
12 6281 2 1 6 ARG N N 16.166 -0.205 -2.939 1.00 . B B . 5 ARG N 1 1
12 6282 2 1 6 ARG NE N 12.404 -0.601 -5.655 1.00 . B B . 5 ARG NE 1 1
12 6283 2 1 6 ARG NH1 N 11.848 -0.315 -7.911 1.00 . B B . 5 ARG NH1 1 1
12 6284 2 1 6 ARG NH2 N 11.804 -2.409 -6.968 1.00 . B B . 5 ARG NH2 1 1
12 6285 2 1 6 ARG O O 15.540 -1.549 -5.967 1.00 . B B . 5 ARG O 1 1
12 6286 2 1 7 ARG C C 14.108 -4.576 -5.062 1.00 . B B . 6 ARG C 1 1
12 6287 2 1 7 ARG CA C 15.403 -4.028 -4.470 1.00 . B B . 6 ARG CA 1 1
12 6288 2 1 7 ARG CB C 15.867 -4.850 -3.258 1.00 . B B . 6 ARG CB 1 1
12 6289 2 1 7 ARG CD C 18.428 -4.487 -3.569 1.00 . B B . 6 ARG CD 1 1
12 6290 2 1 7 ARG CG C 17.208 -4.411 -2.643 1.00 . B B . 6 ARG CG 1 1
12 6291 2 1 7 ARG CZ C 18.626 -3.249 -5.748 1.00 . B B . 6 ARG CZ 1 1
12 6292 2 1 7 ARG H H 15.027 -2.562 -3.054 1.00 . B B . 6 ARG H 1 1
12 6293 2 1 7 ARG HA H 16.170 -4.052 -5.232 1.00 . B B . 6 ARG HA 1 1
12 6294 2 1 7 ARG HB2 H 15.107 -4.754 -2.480 1.00 . B B . 6 ARG HB2 1 1
12 6295 2 1 7 ARG HB3 H 15.946 -5.897 -3.541 1.00 . B B . 6 ARG HB3 1 1
12 6296 2 1 7 ARG HD2 H 19.317 -4.552 -2.944 1.00 . B B . 6 ARG HD2 1 1
12 6297 2 1 7 ARG HD3 H 18.379 -5.393 -4.170 1.00 . B B . 6 ARG HD3 1 1
12 6298 2 1 7 ARG HE H 18.613 -2.404 -3.917 1.00 . B B . 6 ARG HE 1 1
12 6299 2 1 7 ARG HG2 H 17.105 -3.398 -2.260 1.00 . B B . 6 ARG HG2 1 1
12 6300 2 1 7 ARG HG3 H 17.412 -5.062 -1.795 1.00 . B B . 6 ARG HG3 1 1
12 6301 2 1 7 ARG HH11 H 18.542 -5.257 -6.074 1.00 . B B . 6 ARG HH11 1 1
12 6302 2 1 7 ARG HH12 H 18.639 -4.264 -7.510 1.00 . B B . 6 ARG HH12 1 1
12 6303 2 1 7 ARG HH21 H 18.691 -1.221 -5.824 1.00 . B B . 6 ARG HH21 1 1
12 6304 2 1 7 ARG HH22 H 18.715 -2.032 -7.371 1.00 . B B . 6 ARG HH22 1 1
12 6305 2 1 7 ARG N N 15.212 -2.667 -4.037 1.00 . B B . 6 ARG N 1 1
12 6306 2 1 7 ARG NE N 18.564 -3.287 -4.410 1.00 . B B . 6 ARG NE 1 1
12 6307 2 1 7 ARG NH1 N 18.624 -4.348 -6.503 1.00 . B B . 6 ARG NH1 1 1
12 6308 2 1 7 ARG NH2 N 18.676 -2.074 -6.362 1.00 . B B . 6 ARG NH2 1 1
12 6309 2 1 7 ARG O O 13.019 -4.056 -4.819 1.00 . B B . 6 ARG O 1 1
12 6310 2 1 8 ASP C C 12.180 -7.008 -5.753 1.00 . B B . 7 ASP C 1 1
12 6311 2 1 8 ASP CA C 13.189 -6.251 -6.626 1.00 . B B . 7 ASP CA 1 1
12 6312 2 1 8 ASP CB C 13.868 -7.188 -7.627 1.00 . B B . 7 ASP CB 1 1
12 6313 2 1 8 ASP CG C 12.841 -7.985 -8.405 1.00 . B B . 7 ASP CG 1 1
12 6314 2 1 8 ASP H H 15.181 -6.003 -5.996 1.00 . B B . 7 ASP H 1 1
12 6315 2 1 8 ASP HA H 12.656 -5.476 -7.178 1.00 . B B . 7 ASP HA 1 1
12 6316 2 1 8 ASP HB2 H 14.501 -6.612 -8.295 1.00 . B B . 7 ASP HB2 1 1
12 6317 2 1 8 ASP HB3 H 14.496 -7.907 -7.088 1.00 . B B . 7 ASP HB3 1 1
12 6318 2 1 8 ASP N N 14.253 -5.632 -5.858 1.00 . B B . 7 ASP N 1 1
12 6319 2 1 8 ASP O O 10.986 -6.972 -6.032 1.00 . B B . 7 ASP O 1 1
12 6320 2 1 8 ASP OD1 O 12.420 -9.008 -7.965 1.00 . B B . 7 ASP OD1 1 1
12 6321 2 1 8 ASP OD2 O 12.471 -7.448 -9.528 1.00 . B B . 7 ASP OD2 1 1
12 6322 2 1 9 SER C C 11.261 -7.569 -2.718 1.00 . B B . 8 SER C 1 1
12 6323 2 1 9 SER CA C 11.815 -8.473 -3.811 1.00 . B B . 8 SER CA 1 1
12 6324 2 1 9 SER CB C 12.602 -9.637 -3.207 1.00 . B B . 8 SER CB 1 1
12 6325 2 1 9 SER H H 13.641 -7.723 -4.545 1.00 . B B . 8 SER H 1 1
12 6326 2 1 9 SER HA H 10.989 -8.889 -4.378 1.00 . B B . 8 SER HA 1 1
12 6327 2 1 9 SER HB2 H 13.486 -9.263 -2.693 1.00 . B B . 8 SER HB2 1 1
12 6328 2 1 9 SER HB3 H 11.970 -10.173 -2.501 1.00 . B B . 8 SER HB3 1 1
12 6329 2 1 9 SER HG H 12.266 -10.719 -4.787 1.00 . B B . 8 SER HG 1 1
12 6330 2 1 9 SER N N 12.649 -7.703 -4.714 1.00 . B B . 8 SER N 1 1
12 6331 2 1 9 SER O O 11.969 -6.717 -2.183 1.00 . B B . 8 SER O 1 1
12 6332 2 1 9 SER OG O 13.016 -10.525 -4.213 1.00 . B B . 8 SER OG 1 1
12 6333 2 1 10 GLY C C 7.782 -7.118 -1.862 1.00 . B B . 9 GLY C 1 1
12 6334 2 1 10 GLY CA C 9.235 -7.061 -1.391 1.00 . B B . 9 GLY CA 1 1
12 6335 2 1 10 GLY H H 9.432 -8.429 -2.932 1.00 . B B . 9 GLY H 1 1
12 6336 2 1 10 GLY HA2 H 9.332 -7.555 -0.427 1.00 . B B . 9 GLY HA2 1 1
12 6337 2 1 10 GLY HA3 H 9.620 -6.048 -1.287 1.00 . B B . 9 GLY HA3 1 1
12 6338 2 1 10 GLY N N 9.987 -7.787 -2.384 1.00 . B B . 9 GLY N 1 1
12 6339 2 1 10 GLY O O 7.283 -8.201 -2.165 1.00 . B B . 9 GLY O 1 1
12 6340 2 1 11 TYR C C 6.177 -3.747 -1.690 1.00 . B B . 10 TYR C 1 1
12 6341 2 1 11 TYR CA C 7.412 -4.645 -1.610 1.00 . B B . 10 TYR CA 1 1
12 6342 2 1 11 TYR CB C 8.514 -4.078 -2.525 1.00 . B B . 10 TYR CB 1 1
12 6343 2 1 11 TYR CD1 C 9.505 -2.621 -0.676 1.00 . B B . 10 TYR CD1 1 1
12 6344 2 1 11 TYR CD2 C 10.983 -3.644 -2.306 1.00 . B B . 10 TYR CD2 1 1
12 6345 2 1 11 TYR CE1 C 10.596 -2.020 -0.043 1.00 . B B . 10 TYR CE1 1 1
12 6346 2 1 11 TYR CE2 C 12.090 -3.050 -1.678 1.00 . B B . 10 TYR CE2 1 1
12 6347 2 1 11 TYR CG C 9.687 -3.434 -1.810 1.00 . B B . 10 TYR CG 1 1
12 6348 2 1 11 TYR CZ C 11.896 -2.232 -0.539 1.00 . B B . 10 TYR CZ 1 1
12 6349 2 1 11 TYR H H 6.203 -6.083 -2.484 1.00 . B B . 10 TYR H 1 1
12 6350 2 1 11 TYR HA H 7.758 -4.659 -0.583 1.00 . B B . 10 TYR HA 1 1
12 6351 2 1 11 TYR HB2 H 8.899 -4.864 -3.172 1.00 . B B . 10 TYR HB2 1 1
12 6352 2 1 11 TYR HB3 H 8.077 -3.346 -3.193 1.00 . B B . 10 TYR HB3 1 1
12 6353 2 1 11 TYR HD1 H 8.533 -2.445 -0.267 1.00 . B B . 10 TYR HD1 1 1
12 6354 2 1 11 TYR HD2 H 11.124 -4.280 -3.165 1.00 . B B . 10 TYR HD2 1 1
12 6355 2 1 11 TYR HE1 H 10.435 -1.410 0.831 1.00 . B B . 10 TYR HE1 1 1
12 6356 2 1 11 TYR HE2 H 13.081 -3.250 -2.048 1.00 . B B . 10 TYR HE2 1 1
12 6357 2 1 11 TYR HH H 13.793 -1.873 -0.304 1.00 . B B . 10 TYR HH 1 1
12 6358 2 1 11 TYR N N 7.064 -6.000 -1.980 1.00 . B B . 10 TYR N 1 1
12 6359 2 1 11 TYR O O 5.284 -3.951 -2.508 1.00 . B B . 10 TYR O 1 1
12 6360 2 1 11 TYR OH O 12.949 -1.669 0.108 1.00 . B B . 10 TYR OH 1 1
12 6361 2 1 12 GLU C C 6.349 -0.289 -0.718 1.00 . B B . 11 GLU C 1 1
12 6362 2 1 12 GLU CA C 5.443 -1.479 -1.088 1.00 . B B . 11 GLU CA 1 1
12 6363 2 1 12 GLU CB C 4.158 -1.558 -0.272 1.00 . B B . 11 GLU CB 1 1
12 6364 2 1 12 GLU CD C 2.183 -0.025 0.222 1.00 . B B . 11 GLU CD 1 1
12 6365 2 1 12 GLU CG C 3.192 -0.507 -0.798 1.00 . B B . 11 GLU CG 1 1
12 6366 2 1 12 GLU H H 6.900 -2.648 -0.164 1.00 . B B . 11 GLU H 1 1
12 6367 2 1 12 GLU HA H 5.175 -1.416 -2.142 1.00 . B B . 11 GLU HA 1 1
12 6368 2 1 12 GLU HB2 H 3.704 -2.544 -0.382 1.00 . B B . 11 GLU HB2 1 1
12 6369 2 1 12 GLU HB3 H 4.382 -1.398 0.783 1.00 . B B . 11 GLU HB3 1 1
12 6370 2 1 12 GLU HG2 H 3.745 0.386 -1.112 1.00 . B B . 11 GLU HG2 1 1
12 6371 2 1 12 GLU HG3 H 2.671 -0.900 -1.669 1.00 . B B . 11 GLU HG3 1 1
12 6372 2 1 12 GLU N N 6.201 -2.686 -0.888 1.00 . B B . 11 GLU N 1 1
12 6373 2 1 12 GLU O O 6.141 0.372 0.296 1.00 . B B . 11 GLU O 1 1
12 6374 2 1 12 GLU OE1 O 1.895 -0.854 1.189 1.00 . B B . 11 GLU OE1 1 1
12 6375 2 1 12 GLU OE2 O 1.753 1.075 0.135 1.00 . B B . 11 GLU OE2 1 1
12 6376 2 1 13 VAL C C 8.104 2.230 -0.865 1.00 . B B . 12 VAL C 1 1
12 6377 2 1 13 VAL CA C 8.496 0.866 -1.434 1.00 . B B . 12 VAL CA 1 1
12 6378 2 1 13 VAL CB C 9.136 1.050 -2.834 1.00 . B B . 12 VAL CB 1 1
12 6379 2 1 13 VAL CG1 C 10.146 2.206 -2.898 1.00 . B B . 12 VAL CG1 1 1
12 6380 2 1 13 VAL CG2 C 9.873 -0.216 -3.287 1.00 . B B . 12 VAL CG2 1 1
12 6381 2 1 13 VAL H H 7.415 -0.659 -2.367 1.00 . B B . 12 VAL H 1 1
12 6382 2 1 13 VAL HA H 9.241 0.412 -0.784 1.00 . B B . 12 VAL HA 1 1
12 6383 2 1 13 VAL HB H 8.343 1.264 -3.553 1.00 . B B . 12 VAL HB 1 1
12 6384 2 1 13 VAL HG11 H 10.918 2.070 -2.139 1.00 . B B . 12 VAL HG11 1 1
12 6385 2 1 13 VAL HG12 H 10.608 2.243 -3.883 1.00 . B B . 12 VAL HG12 1 1
12 6386 2 1 13 VAL HG13 H 9.637 3.152 -2.735 1.00 . B B . 12 VAL HG13 1 1
12 6387 2 1 13 VAL HG21 H 10.773 -0.363 -2.689 1.00 . B B . 12 VAL HG21 1 1
12 6388 2 1 13 VAL HG22 H 9.233 -1.087 -3.188 1.00 . B B . 12 VAL HG22 1 1
12 6389 2 1 13 VAL HG23 H 10.138 -0.113 -4.336 1.00 . B B . 12 VAL HG23 1 1
12 6390 2 1 13 VAL N N 7.374 -0.066 -1.554 1.00 . B B . 12 VAL N 1 1
12 6391 2 1 13 VAL O O 8.861 2.800 -0.086 1.00 . B B . 12 VAL O 1 1
12 6392 2 1 14 HIS C C 6.062 4.456 0.349 1.00 . B B . 13 HIS C 1 1
12 6393 2 1 14 HIS CA C 6.603 4.162 -1.056 1.00 . B B . 13 HIS CA 1 1
12 6394 2 1 14 HIS CB C 5.713 4.653 -2.200 1.00 . B B . 13 HIS CB 1 1
12 6395 2 1 14 HIS CD2 C 7.622 5.404 -3.707 1.00 . B B . 13 HIS CD2 1 1
12 6396 2 1 14 HIS CE1 C 7.336 4.074 -5.420 1.00 . B B . 13 HIS CE1 1 1
12 6397 2 1 14 HIS CG C 6.492 4.668 -3.485 1.00 . B B . 13 HIS CG 1 1
12 6398 2 1 14 HIS H H 6.373 2.240 -1.918 1.00 . B B . 13 HIS H 1 1
12 6399 2 1 14 HIS HA H 7.536 4.718 -1.127 1.00 . B B . 13 HIS HA 1 1
12 6400 2 1 14 HIS HB2 H 4.832 4.019 -2.293 1.00 . B B . 13 HIS HB2 1 1
12 6401 2 1 14 HIS HB3 H 5.390 5.670 -2.000 1.00 . B B . 13 HIS HB3 1 1
12 6402 2 1 14 HIS HD1 H 5.591 3.157 -4.693 1.00 . B B . 13 HIS HD1 1 1
12 6403 2 1 14 HIS HD2 H 8.057 6.119 -3.023 1.00 . B B . 13 HIS HD2 1 1
12 6404 2 1 14 HIS HE1 H 7.478 3.565 -6.362 1.00 . B B . 13 HIS HE1 1 1
12 6405 2 1 14 HIS N N 6.957 2.770 -1.287 1.00 . B B . 13 HIS N 1 1
12 6406 2 1 14 HIS ND1 N 6.324 3.842 -4.571 1.00 . B B . 13 HIS ND1 1 1
12 6407 2 1 14 HIS NE2 N 8.156 5.019 -4.934 1.00 . B B . 13 HIS NE2 1 1
12 6408 2 1 14 HIS O O 5.767 5.612 0.640 1.00 . B B . 13 HIS O 1 1
12 6409 2 1 15 HIS C C 6.766 2.544 3.467 1.00 . B B . 14 HIS C 1 1
12 6410 2 1 15 HIS CA C 6.165 3.724 2.683 1.00 . B B . 14 HIS CA 1 1
12 6411 2 1 15 HIS CB C 4.873 4.275 3.310 1.00 . B B . 14 HIS CB 1 1
12 6412 2 1 15 HIS CD2 C 2.927 2.894 2.396 1.00 . B B . 14 HIS CD2 1 1
12 6413 2 1 15 HIS CE1 C 2.308 1.858 4.224 1.00 . B B . 14 HIS CE1 1 1
12 6414 2 1 15 HIS CG C 3.754 3.287 3.408 1.00 . B B . 14 HIS CG 1 1
12 6415 2 1 15 HIS H H 6.244 2.524 0.929 1.00 . B B . 14 HIS H 1 1
12 6416 2 1 15 HIS HA H 6.892 4.529 2.771 1.00 . B B . 14 HIS HA 1 1
12 6417 2 1 15 HIS HB2 H 5.102 4.631 4.315 1.00 . B B . 14 HIS HB2 1 1
12 6418 2 1 15 HIS HB3 H 4.520 5.138 2.748 1.00 . B B . 14 HIS HB3 1 1
12 6419 2 1 15 HIS HD1 H 3.777 2.709 5.460 1.00 . B B . 14 HIS HD1 1 1
12 6420 2 1 15 HIS HD2 H 2.961 3.237 1.372 1.00 . B B . 14 HIS HD2 1 1
12 6421 2 1 15 HIS HE1 H 1.787 1.210 4.913 1.00 . B B . 14 HIS HE1 1 1
12 6422 2 1 15 HIS N N 6.038 3.462 1.249 1.00 . B B . 14 HIS N 1 1
12 6423 2 1 15 HIS ND1 N 3.351 2.634 4.547 1.00 . B B . 14 HIS ND1 1 1
12 6424 2 1 15 HIS NE2 N 2.011 1.989 2.924 1.00 . B B . 14 HIS NE2 1 1
12 6425 2 1 15 HIS O O 7.003 2.689 4.661 1.00 . B B . 14 HIS O 1 1
12 6426 2 1 16 GLN C C 9.429 0.824 3.208 1.00 . B B . 15 GLN C 1 1
12 6427 2 1 16 GLN CA C 7.981 0.415 3.427 1.00 . B B . 15 GLN CA 1 1
12 6428 2 1 16 GLN CB C 7.794 -0.971 2.823 1.00 . B B . 15 GLN CB 1 1
12 6429 2 1 16 GLN CD C 6.261 -2.980 2.625 1.00 . B B . 15 GLN CD 1 1
12 6430 2 1 16 GLN CG C 6.414 -1.550 3.127 1.00 . B B . 15 GLN CG 1 1
12 6431 2 1 16 GLN H H 6.859 1.281 1.865 1.00 . B B . 15 GLN H 1 1
12 6432 2 1 16 GLN HA H 7.776 0.355 4.494 1.00 . B B . 15 GLN HA 1 1
12 6433 2 1 16 GLN HB2 H 7.965 -0.919 1.751 1.00 . B B . 15 GLN HB2 1 1
12 6434 2 1 16 GLN HB3 H 8.544 -1.634 3.254 1.00 . B B . 15 GLN HB3 1 1
12 6435 2 1 16 GLN HE21 H 4.675 -3.296 3.859 1.00 . B B . 15 GLN HE21 1 1
12 6436 2 1 16 GLN HE22 H 5.151 -4.652 2.859 1.00 . B B . 15 GLN HE22 1 1
12 6437 2 1 16 GLN HG2 H 6.283 -1.556 4.204 1.00 . B B . 15 GLN HG2 1 1
12 6438 2 1 16 GLN HG3 H 5.635 -0.927 2.690 1.00 . B B . 15 GLN HG3 1 1
12 6439 2 1 16 GLN N N 7.093 1.407 2.835 1.00 . B B . 15 GLN N 1 1
12 6440 2 1 16 GLN NE2 N 5.274 -3.694 3.152 1.00 . B B . 15 GLN NE2 1 1
12 6441 2 1 16 GLN O O 9.800 1.268 2.126 1.00 . B B . 15 GLN O 1 1
12 6442 2 1 16 GLN OE1 O 7.021 -3.451 1.788 1.00 . B B . 15 GLN OE1 1 1
12 6443 2 1 17 LYS C C 12.496 0.268 3.235 1.00 . B B . 16 LYS C 1 1
12 6444 2 1 17 LYS CA C 11.653 0.978 4.305 1.00 . B B . 16 LYS CA 1 1
12 6445 2 1 17 LYS CB C 12.140 0.617 5.716 1.00 . B B . 16 LYS CB 1 1
12 6446 2 1 17 LYS CD C 11.859 1.077 8.217 1.00 . B B . 16 LYS CD 1 1
12 6447 2 1 17 LYS CE C 13.371 0.979 8.423 1.00 . B B . 16 LYS CE 1 1
12 6448 2 1 17 LYS CG C 11.535 1.533 6.792 1.00 . B B . 16 LYS CG 1 1
12 6449 2 1 17 LYS H H 9.856 0.152 5.046 1.00 . B B . 16 LYS H 1 1
12 6450 2 1 17 LYS HA H 11.744 2.055 4.159 1.00 . B B . 16 LYS HA 1 1
12 6451 2 1 17 LYS HB2 H 11.896 -0.422 5.934 1.00 . B B . 16 LYS HB2 1 1
12 6452 2 1 17 LYS HB3 H 13.218 0.724 5.750 1.00 . B B . 16 LYS HB3 1 1
12 6453 2 1 17 LYS HD2 H 11.446 1.807 8.913 1.00 . B B . 16 LYS HD2 1 1
12 6454 2 1 17 LYS HD3 H 11.400 0.107 8.408 1.00 . B B . 16 LYS HD3 1 1
12 6455 2 1 17 LYS HE2 H 13.756 0.157 7.822 1.00 . B B . 16 LYS HE2 1 1
12 6456 2 1 17 LYS HE3 H 13.834 1.906 8.089 1.00 . B B . 16 LYS HE3 1 1
12 6457 2 1 17 LYS HG2 H 11.940 2.531 6.653 1.00 . B B . 16 LYS HG2 1 1
12 6458 2 1 17 LYS HG3 H 10.452 1.582 6.687 1.00 . B B . 16 LYS HG3 1 1
12 6459 2 1 17 LYS HZ1 H 14.710 0.648 9.934 1.00 . B B . 16 LYS HZ1 1 1
12 6460 2 1 17 LYS HZ2 H 13.394 1.530 10.387 1.00 . B B . 16 LYS HZ2 1 1
12 6461 2 1 17 LYS HZ3 H 13.252 -0.092 10.160 1.00 . B B . 16 LYS HZ3 1 1
12 6462 2 1 17 LYS N N 10.247 0.604 4.233 1.00 . B B . 16 LYS N 1 1
12 6463 2 1 17 LYS NZ N 13.710 0.746 9.832 1.00 . B B . 16 LYS NZ 1 1
12 6464 2 1 17 LYS O O 13.419 0.851 2.675 1.00 . B B . 16 LYS O 1 1
12 6465 2 1 18 NH2 HN1 H 12.697 -1.459 2.188 1.00 . B B . 17 NH2 HN1 1 1
12 6466 2 1 18 NH2 HN2 H 11.392 -1.431 3.358 1.00 . B B . 17 NH2 HN2 1 1
12 6467 2 1 18 NH2 N N 12.169 -0.977 2.901 1.00 . B B . 17 NH2 N 1 1
12 6468 3 2 1 ZN ZN ZN 0.773 0.682 1.909 1.00 . C A . 101 ZN ZN 1 1
13 6469 1 1 1 ACE C C -14.041 -4.554 -5.105 1.00 . A A . 0 ACE C 1 1
13 6470 1 1 1 ACE CH3 C -13.237 -4.548 -6.393 1.00 . A A . 0 ACE CH3 1 1
13 6471 1 1 1 ACE H1 H -12.382 -3.884 -6.283 1.00 . A A . 0 ACE H1 1 1
13 6472 1 1 1 ACE H2 H -12.892 -5.557 -6.614 1.00 . A A . 0 ACE H2 1 1
13 6473 1 1 1 ACE H3 H -13.861 -4.197 -7.214 1.00 . A A . 0 ACE H3 1 1
13 6474 1 1 1 ACE O O -14.096 -5.572 -4.420 1.00 . A A . 0 ACE O 1 1
13 6475 1 1 2 ASP C C -16.451 -2.111 -3.714 1.00 . A A . 1 ASP C 1 1
13 6476 1 1 2 ASP CA C -15.484 -3.287 -3.582 1.00 . A A . 1 ASP CA 1 1
13 6477 1 1 2 ASP CB C -14.558 -3.082 -2.375 1.00 . A A . 1 ASP CB 1 1
13 6478 1 1 2 ASP CG C -15.165 -3.584 -1.084 1.00 . A A . 1 ASP CG 1 1
13 6479 1 1 2 ASP H H -14.616 -2.627 -5.401 1.00 . A A . 1 ASP H 1 1
13 6480 1 1 2 ASP HA H -16.055 -4.207 -3.441 1.00 . A A . 1 ASP HA 1 1
13 6481 1 1 2 ASP HB2 H -13.611 -3.601 -2.534 1.00 . A A . 1 ASP HB2 1 1
13 6482 1 1 2 ASP HB3 H -14.363 -2.022 -2.252 1.00 . A A . 1 ASP HB3 1 1
13 6483 1 1 2 ASP N N -14.679 -3.424 -4.785 1.00 . A A . 1 ASP N 1 1
13 6484 1 1 2 ASP O O -16.065 -1.022 -4.132 1.00 . A A . 1 ASP O 1 1
13 6485 1 1 2 ASP OD1 O -16.228 -3.081 -0.699 1.00 . A A . 1 ASP OD1 1 1
13 6486 1 1 2 ASP OD2 O -14.525 -4.461 -0.467 1.00 . A A . 1 ASP OD2 1 1
13 6487 1 1 3 ALA C C -18.438 -0.254 -2.126 1.00 . A A . 2 ALA C 1 1
13 6488 1 1 3 ALA CA C -18.708 -1.269 -3.232 1.00 . A A . 2 ALA CA 1 1
13 6489 1 1 3 ALA CB C -20.067 -1.908 -2.948 1.00 . A A . 2 ALA CB 1 1
13 6490 1 1 3 ALA H H -17.941 -3.225 -2.926 1.00 . A A . 2 ALA H 1 1
13 6491 1 1 3 ALA HA H -18.751 -0.742 -4.183 1.00 . A A . 2 ALA HA 1 1
13 6492 1 1 3 ALA HB1 H -20.826 -1.130 -2.892 1.00 . A A . 2 ALA HB1 1 1
13 6493 1 1 3 ALA HB2 H -20.321 -2.609 -3.740 1.00 . A A . 2 ALA HB2 1 1
13 6494 1 1 3 ALA HB3 H -20.038 -2.425 -1.988 1.00 . A A . 2 ALA HB3 1 1
13 6495 1 1 3 ALA N N -17.699 -2.317 -3.294 1.00 . A A . 2 ALA N 1 1
13 6496 1 1 3 ALA O O -19.007 0.828 -2.165 1.00 . A A . 2 ALA O 1 1
13 6497 1 1 4 GLU C C -16.612 0.195 0.969 1.00 . A A . 3 GLU C 1 1
13 6498 1 1 4 GLU CA C -17.900 -0.196 0.251 1.00 . A A . 3 GLU CA 1 1
13 6499 1 1 4 GLU CB C -18.573 -1.392 0.941 1.00 . A A . 3 GLU CB 1 1
13 6500 1 1 4 GLU CD C -20.162 0.008 2.273 1.00 . A A . 3 GLU CD 1 1
13 6501 1 1 4 GLU CG C -19.091 -1.067 2.332 1.00 . A A . 3 GLU CG 1 1
13 6502 1 1 4 GLU H H -17.159 -1.501 -1.191 1.00 . A A . 3 GLU H 1 1
13 6503 1 1 4 GLU HA H -18.576 0.658 0.253 1.00 . A A . 3 GLU HA 1 1
13 6504 1 1 4 GLU HB2 H -19.413 -1.733 0.333 1.00 . A A . 3 GLU HB2 1 1
13 6505 1 1 4 GLU HB3 H -17.869 -2.215 1.029 1.00 . A A . 3 GLU HB3 1 1
13 6506 1 1 4 GLU HG2 H -19.518 -1.976 2.741 1.00 . A A . 3 GLU HG2 1 1
13 6507 1 1 4 GLU HG3 H -18.264 -0.748 2.965 1.00 . A A . 3 GLU HG3 1 1
13 6508 1 1 4 GLU N N -17.652 -0.624 -1.112 1.00 . A A . 3 GLU N 1 1
13 6509 1 1 4 GLU O O -16.622 1.169 1.712 1.00 . A A . 3 GLU O 1 1
13 6510 1 1 4 GLU OE1 O -21.251 -0.305 1.736 1.00 . A A . 3 GLU OE1 1 1
13 6511 1 1 4 GLU OE2 O -19.899 1.132 2.715 1.00 . A A . 3 GLU OE2 1 1
13 6512 1 1 5 PHE C C -13.249 0.395 0.396 1.00 . A A . 4 PHE C 1 1
13 6513 1 1 5 PHE CA C -14.210 -0.309 1.333 1.00 . A A . 4 PHE CA 1 1
13 6514 1 1 5 PHE CB C -13.592 -1.633 1.773 1.00 . A A . 4 PHE CB 1 1
13 6515 1 1 5 PHE CD1 C -15.411 -2.792 3.073 1.00 . A A . 4 PHE CD1 1 1
13 6516 1 1 5 PHE CD2 C -13.585 -1.727 4.279 1.00 . A A . 4 PHE CD2 1 1
13 6517 1 1 5 PHE CE1 C -16.004 -3.159 4.291 1.00 . A A . 4 PHE CE1 1 1
13 6518 1 1 5 PHE CE2 C -14.175 -2.093 5.499 1.00 . A A . 4 PHE CE2 1 1
13 6519 1 1 5 PHE CG C -14.192 -2.099 3.071 1.00 . A A . 4 PHE CG 1 1
13 6520 1 1 5 PHE CZ C -15.378 -2.821 5.506 1.00 . A A . 4 PHE CZ 1 1
13 6521 1 1 5 PHE H H -15.642 -1.388 0.197 1.00 . A A . 4 PHE H 1 1
13 6522 1 1 5 PHE HA H -14.317 0.328 2.209 1.00 . A A . 4 PHE HA 1 1
13 6523 1 1 5 PHE HB2 H -13.728 -2.388 1.001 1.00 . A A . 4 PHE HB2 1 1
13 6524 1 1 5 PHE HB3 H -12.518 -1.504 1.920 1.00 . A A . 4 PHE HB3 1 1
13 6525 1 1 5 PHE HD1 H -15.897 -3.007 2.134 1.00 . A A . 4 PHE HD1 1 1
13 6526 1 1 5 PHE HD2 H -12.693 -1.120 4.256 1.00 . A A . 4 PHE HD2 1 1
13 6527 1 1 5 PHE HE1 H -16.951 -3.675 4.288 1.00 . A A . 4 PHE HE1 1 1
13 6528 1 1 5 PHE HE2 H -13.722 -1.788 6.428 1.00 . A A . 4 PHE HE2 1 1
13 6529 1 1 5 PHE HZ H -15.841 -3.086 6.444 1.00 . A A . 4 PHE HZ 1 1
13 6530 1 1 5 PHE N N -15.525 -0.552 0.747 1.00 . A A . 4 PHE N 1 1
13 6531 1 1 5 PHE O O -12.347 1.058 0.899 1.00 . A A . 4 PHE O 1 1
13 6532 1 1 6 ARG C C -13.218 2.454 -2.007 1.00 . A A . 5 ARG C 1 1
13 6533 1 1 6 ARG CA C -12.682 1.020 -1.922 1.00 . A A . 5 ARG CA 1 1
13 6534 1 1 6 ARG CB C -12.703 0.270 -3.261 1.00 . A A . 5 ARG CB 1 1
13 6535 1 1 6 ARG CD C -10.330 -0.749 -2.965 1.00 . A A . 5 ARG CD 1 1
13 6536 1 1 6 ARG CG C -11.808 -0.983 -3.297 1.00 . A A . 5 ARG CG 1 1
13 6537 1 1 6 ARG CZ C -8.894 0.447 -4.644 1.00 . A A . 5 ARG CZ 1 1
13 6538 1 1 6 ARG H H -14.213 -0.278 -1.259 1.00 . A A . 5 ARG H 1 1
13 6539 1 1 6 ARG HA H -11.652 1.090 -1.590 1.00 . A A . 5 ARG HA 1 1
13 6540 1 1 6 ARG HB2 H -13.730 -0.017 -3.475 1.00 . A A . 5 ARG HB2 1 1
13 6541 1 1 6 ARG HB3 H -12.373 0.940 -4.053 1.00 . A A . 5 ARG HB3 1 1
13 6542 1 1 6 ARG HD2 H -10.237 -0.606 -1.894 1.00 . A A . 5 ARG HD2 1 1
13 6543 1 1 6 ARG HD3 H -9.766 -1.644 -3.223 1.00 . A A . 5 ARG HD3 1 1
13 6544 1 1 6 ARG HE H -10.038 1.329 -3.243 1.00 . A A . 5 ARG HE 1 1
13 6545 1 1 6 ARG HG2 H -12.180 -1.714 -2.584 1.00 . A A . 5 ARG HG2 1 1
13 6546 1 1 6 ARG HG3 H -11.875 -1.427 -4.288 1.00 . A A . 5 ARG HG3 1 1
13 6547 1 1 6 ARG HH11 H -8.843 -1.567 -4.909 1.00 . A A . 5 ARG HH11 1 1
13 6548 1 1 6 ARG HH12 H -7.839 -0.640 -5.994 1.00 . A A . 5 ARG HH12 1 1
13 6549 1 1 6 ARG HH21 H -8.696 2.472 -4.667 1.00 . A A . 5 ARG HH21 1 1
13 6550 1 1 6 ARG HH22 H -7.739 1.611 -5.848 1.00 . A A . 5 ARG HH22 1 1
13 6551 1 1 6 ARG N N -13.445 0.285 -0.925 1.00 . A A . 5 ARG N 1 1
13 6552 1 1 6 ARG NE N -9.767 0.437 -3.630 1.00 . A A . 5 ARG NE 1 1
13 6553 1 1 6 ARG NH1 N -8.495 -0.676 -5.229 1.00 . A A . 5 ARG NH1 1 1
13 6554 1 1 6 ARG NH2 N -8.401 1.602 -5.087 1.00 . A A . 5 ARG NH2 1 1
13 6555 1 1 6 ARG O O -13.768 2.870 -3.023 1.00 . A A . 5 ARG O 1 1
13 6556 1 1 7 ARG C C -12.308 5.494 -0.882 1.00 . A A . 6 ARG C 1 1
13 6557 1 1 7 ARG CA C -13.492 4.554 -0.695 1.00 . A A . 6 ARG CA 1 1
13 6558 1 1 7 ARG CB C -14.037 4.725 0.723 1.00 . A A . 6 ARG CB 1 1
13 6559 1 1 7 ARG CD C -16.392 4.177 -0.077 1.00 . A A . 6 ARG CD 1 1
13 6560 1 1 7 ARG CG C -15.296 3.902 0.954 1.00 . A A . 6 ARG CG 1 1
13 6561 1 1 7 ARG CZ C -18.845 4.140 0.417 1.00 . A A . 6 ARG CZ 1 1
13 6562 1 1 7 ARG H H -12.686 2.720 -0.082 1.00 . A A . 6 ARG H 1 1
13 6563 1 1 7 ARG HA H -14.288 4.782 -1.395 1.00 . A A . 6 ARG HA 1 1
13 6564 1 1 7 ARG HB2 H -13.294 4.398 1.451 1.00 . A A . 6 ARG HB2 1 1
13 6565 1 1 7 ARG HB3 H -14.265 5.777 0.886 1.00 . A A . 6 ARG HB3 1 1
13 6566 1 1 7 ARG HD2 H -16.508 5.249 -0.214 1.00 . A A . 6 ARG HD2 1 1
13 6567 1 1 7 ARG HD3 H -16.132 3.717 -1.032 1.00 . A A . 6 ARG HD3 1 1
13 6568 1 1 7 ARG HE H -17.515 2.663 0.791 1.00 . A A . 6 ARG HE 1 1
13 6569 1 1 7 ARG HG2 H -15.022 2.848 0.922 1.00 . A A . 6 ARG HG2 1 1
13 6570 1 1 7 ARG HG3 H -15.673 4.133 1.949 1.00 . A A . 6 ARG HG3 1 1
13 6571 1 1 7 ARG HH11 H -18.347 5.871 -0.530 1.00 . A A . 6 ARG HH11 1 1
13 6572 1 1 7 ARG HH12 H -20.028 5.718 -0.084 1.00 . A A . 6 ARG HH12 1 1
13 6573 1 1 7 ARG HH21 H -19.694 2.568 1.388 1.00 . A A . 6 ARG HH21 1 1
13 6574 1 1 7 ARG HH22 H -20.775 3.877 0.979 1.00 . A A . 6 ARG HH22 1 1
13 6575 1 1 7 ARG N N -13.076 3.180 -0.893 1.00 . A A . 6 ARG N 1 1
13 6576 1 1 7 ARG NE N -17.632 3.579 0.392 1.00 . A A . 6 ARG NE 1 1
13 6577 1 1 7 ARG NH1 N -19.091 5.343 -0.094 1.00 . A A . 6 ARG NH1 1 1
13 6578 1 1 7 ARG NH2 N -19.847 3.477 0.977 1.00 . A A . 6 ARG NH2 1 1
13 6579 1 1 7 ARG O O -11.209 5.194 -0.421 1.00 . A A . 6 ARG O 1 1
13 6580 1 1 8 ASP C C -11.144 8.345 -0.351 1.00 . A A . 7 ASP C 1 1
13 6581 1 1 8 ASP CA C -11.519 7.674 -1.678 1.00 . A A . 7 ASP CA 1 1
13 6582 1 1 8 ASP CB C -11.972 8.704 -2.721 1.00 . A A . 7 ASP CB 1 1
13 6583 1 1 8 ASP CG C -13.020 9.684 -2.201 1.00 . A A . 7 ASP CG 1 1
13 6584 1 1 8 ASP H H -13.473 6.856 -1.840 1.00 . A A . 7 ASP H 1 1
13 6585 1 1 8 ASP HA H -10.632 7.183 -2.073 1.00 . A A . 7 ASP HA 1 1
13 6586 1 1 8 ASP HB2 H -11.096 9.271 -3.031 1.00 . A A . 7 ASP HB2 1 1
13 6587 1 1 8 ASP HB3 H -12.366 8.183 -3.594 1.00 . A A . 7 ASP HB3 1 1
13 6588 1 1 8 ASP N N -12.546 6.658 -1.494 1.00 . A A . 7 ASP N 1 1
13 6589 1 1 8 ASP O O -9.981 8.667 -0.155 1.00 . A A . 7 ASP O 1 1
13 6590 1 1 8 ASP OD1 O -14.212 9.326 -2.187 1.00 . A A . 7 ASP OD1 1 1
13 6591 1 1 8 ASP OD2 O -12.625 10.799 -1.817 1.00 . A A . 7 ASP OD2 1 1
13 6592 1 1 9 SER C C -11.067 8.608 2.868 1.00 . A A . 8 SER C 1 1
13 6593 1 1 9 SER CA C -11.929 9.298 1.797 1.00 . A A . 8 SER CA 1 1
13 6594 1 1 9 SER CB C -13.291 9.711 2.368 1.00 . A A . 8 SER CB 1 1
13 6595 1 1 9 SER H H -13.048 8.289 0.305 1.00 . A A . 8 SER H 1 1
13 6596 1 1 9 SER HA H -11.408 10.209 1.519 1.00 . A A . 8 SER HA 1 1
13 6597 1 1 9 SER HB2 H -13.890 8.826 2.560 1.00 . A A . 8 SER HB2 1 1
13 6598 1 1 9 SER HB3 H -13.154 10.255 3.301 1.00 . A A . 8 SER HB3 1 1
13 6599 1 1 9 SER HG H -13.889 11.456 1.764 1.00 . A A . 8 SER HG 1 1
13 6600 1 1 9 SER N N -12.106 8.535 0.561 1.00 . A A . 8 SER N 1 1
13 6601 1 1 9 SER O O -10.944 9.144 3.966 1.00 . A A . 8 SER O 1 1
13 6602 1 1 9 SER OG O -13.974 10.545 1.463 1.00 . A A . 8 SER OG 1 1
13 6603 1 1 10 GLY C C -8.063 7.375 2.433 1.00 . A A . 9 GLY C 1 1
13 6604 1 1 10 GLY CA C -9.268 7.004 3.303 1.00 . A A . 9 GLY CA 1 1
13 6605 1 1 10 GLY H H -10.495 7.105 1.626 1.00 . A A . 9 GLY H 1 1
13 6606 1 1 10 GLY HA2 H -9.179 7.484 4.273 1.00 . A A . 9 GLY HA2 1 1
13 6607 1 1 10 GLY HA3 H -9.344 5.932 3.460 1.00 . A A . 9 GLY HA3 1 1
13 6608 1 1 10 GLY N N -10.428 7.468 2.567 1.00 . A A . 9 GLY N 1 1
13 6609 1 1 10 GLY O O -7.925 8.530 2.045 1.00 . A A . 9 GLY O 1 1
13 6610 1 1 11 TYR C C -5.865 4.441 1.822 1.00 . A A . 10 TYR C 1 1
13 6611 1 1 11 TYR CA C -7.146 5.047 2.386 1.00 . A A . 10 TYR CA 1 1
13 6612 1 1 11 TYR CB C -8.343 4.327 1.744 1.00 . A A . 10 TYR CB 1 1
13 6613 1 1 11 TYR CD1 C -8.533 2.615 3.594 1.00 . A A . 10 TYR CD1 1 1
13 6614 1 1 11 TYR CD2 C -10.561 3.509 2.596 1.00 . A A . 10 TYR CD2 1 1
13 6615 1 1 11 TYR CE1 C -9.302 1.807 4.428 1.00 . A A . 10 TYR CE1 1 1
13 6616 1 1 11 TYR CE2 C -11.341 2.674 3.407 1.00 . A A . 10 TYR CE2 1 1
13 6617 1 1 11 TYR CG C -9.159 3.465 2.671 1.00 . A A . 10 TYR CG 1 1
13 6618 1 1 11 TYR CZ C -10.704 1.798 4.314 1.00 . A A . 10 TYR CZ 1 1
13 6619 1 1 11 TYR H H -6.543 6.718 1.333 1.00 . A A . 10 TYR H 1 1
13 6620 1 1 11 TYR HA H -7.165 4.935 3.471 1.00 . A A . 10 TYR HA 1 1
13 6621 1 1 11 TYR HB2 H -9.021 5.055 1.312 1.00 . A A . 10 TYR HB2 1 1
13 6622 1 1 11 TYR HB3 H -7.990 3.718 0.913 1.00 . A A . 10 TYR HB3 1 1
13 6623 1 1 11 TYR HD1 H -7.466 2.566 3.678 1.00 . A A . 10 TYR HD1 1 1
13 6624 1 1 11 TYR HD2 H -11.039 4.177 1.901 1.00 . A A . 10 TYR HD2 1 1
13 6625 1 1 11 TYR HE1 H -8.805 1.210 5.165 1.00 . A A . 10 TYR HE1 1 1
13 6626 1 1 11 TYR HE2 H -12.416 2.712 3.336 1.00 . A A . 10 TYR HE2 1 1
13 6627 1 1 11 TYR HH H -10.880 0.451 5.702 1.00 . A A . 10 TYR HH 1 1
13 6628 1 1 11 TYR N N -7.181 6.453 2.057 1.00 . A A . 10 TYR N 1 1
13 6629 1 1 11 TYR O O -5.345 4.894 0.803 1.00 . A A . 10 TYR O 1 1
13 6630 1 1 11 TYR OH O -11.427 0.958 5.098 1.00 . A A . 10 TYR OH 1 1
13 6631 1 1 12 GLU C C -5.457 0.953 2.038 1.00 . A A . 11 GLU C 1 1
13 6632 1 1 12 GLU CA C -4.784 2.278 1.673 1.00 . A A . 11 GLU CA 1 1
13 6633 1 1 12 GLU CB C -3.291 2.304 1.982 1.00 . A A . 11 GLU CB 1 1
13 6634 1 1 12 GLU CD C -1.202 1.032 1.354 1.00 . A A . 11 GLU CD 1 1
13 6635 1 1 12 GLU CG C -2.589 1.456 0.924 1.00 . A A . 11 GLU CG 1 1
13 6636 1 1 12 GLU H H -5.845 3.057 3.298 1.00 . A A . 11 GLU H 1 1
13 6637 1 1 12 GLU HA H -4.919 2.457 0.605 1.00 . A A . 11 GLU HA 1 1
13 6638 1 1 12 GLU HB2 H -2.921 3.329 1.931 1.00 . A A . 11 GLU HB2 1 1
13 6639 1 1 12 GLU HB3 H -3.110 1.917 2.985 1.00 . A A . 11 GLU HB3 1 1
13 6640 1 1 12 GLU HG2 H -3.170 0.552 0.734 1.00 . A A . 11 GLU HG2 1 1
13 6641 1 1 12 GLU HG3 H -2.525 2.019 -0.001 1.00 . A A . 11 GLU HG3 1 1
13 6642 1 1 12 GLU N N -5.450 3.322 2.409 1.00 . A A . 11 GLU N 1 1
13 6643 1 1 12 GLU O O -5.048 0.261 2.968 1.00 . A A . 11 GLU O 1 1
13 6644 1 1 12 GLU OE1 O -0.476 1.857 1.949 1.00 . A A . 11 GLU OE1 1 1
13 6645 1 1 12 GLU OE2 O -0.875 -0.137 1.107 1.00 . A A . 11 GLU OE2 1 1
13 6646 1 1 13 VAL C C -6.577 -1.860 1.398 1.00 . A A . 12 VAL C 1 1
13 6647 1 1 13 VAL CA C -7.362 -0.554 1.507 1.00 . A A . 12 VAL CA 1 1
13 6648 1 1 13 VAL CB C -8.535 -0.552 0.500 1.00 . A A . 12 VAL CB 1 1
13 6649 1 1 13 VAL CG1 C -9.541 -1.695 0.739 1.00 . A A . 12 VAL CG1 1 1
13 6650 1 1 13 VAL CG2 C -9.318 0.757 0.596 1.00 . A A . 12 VAL CG2 1 1
13 6651 1 1 13 VAL H H -6.770 1.214 0.524 1.00 . A A . 12 VAL H 1 1
13 6652 1 1 13 VAL HA H -7.766 -0.465 2.511 1.00 . A A . 12 VAL HA 1 1
13 6653 1 1 13 VAL HB H -8.138 -0.644 -0.512 1.00 . A A . 12 VAL HB 1 1
13 6654 1 1 13 VAL HG11 H -9.848 -1.714 1.785 1.00 . A A . 12 VAL HG11 1 1
13 6655 1 1 13 VAL HG12 H -10.426 -1.568 0.115 1.00 . A A . 12 VAL HG12 1 1
13 6656 1 1 13 VAL HG13 H -9.094 -2.652 0.476 1.00 . A A . 12 VAL HG13 1 1
13 6657 1 1 13 VAL HG21 H -9.751 0.850 1.589 1.00 . A A . 12 VAL HG21 1 1
13 6658 1 1 13 VAL HG22 H -8.676 1.607 0.385 1.00 . A A . 12 VAL HG22 1 1
13 6659 1 1 13 VAL HG23 H -10.101 0.754 -0.152 1.00 . A A . 12 VAL HG23 1 1
13 6660 1 1 13 VAL N N -6.508 0.610 1.286 1.00 . A A . 12 VAL N 1 1
13 6661 1 1 13 VAL O O -7.043 -2.877 1.897 1.00 . A A . 12 VAL O 1 1
13 6662 1 1 14 HIS C C -4.071 -3.719 1.745 1.00 . A A . 13 HIS C 1 1
13 6663 1 1 14 HIS CA C -4.635 -3.054 0.489 1.00 . A A . 13 HIS CA 1 1
13 6664 1 1 14 HIS CB C -3.526 -2.754 -0.526 1.00 . A A . 13 HIS CB 1 1
13 6665 1 1 14 HIS CD2 C -3.692 -0.682 -2.016 1.00 . A A . 13 HIS CD2 1 1
13 6666 1 1 14 HIS CE1 C -5.375 -1.262 -3.291 1.00 . A A . 13 HIS CE1 1 1
13 6667 1 1 14 HIS CG C -4.038 -1.965 -1.700 1.00 . A A . 13 HIS CG 1 1
13 6668 1 1 14 HIS H H -5.050 -0.980 0.385 1.00 . A A . 13 HIS H 1 1
13 6669 1 1 14 HIS HA H -5.338 -3.747 0.032 1.00 . A A . 13 HIS HA 1 1
13 6670 1 1 14 HIS HB2 H -2.732 -2.192 -0.034 1.00 . A A . 13 HIS HB2 1 1
13 6671 1 1 14 HIS HB3 H -3.110 -3.696 -0.887 1.00 . A A . 13 HIS HB3 1 1
13 6672 1 1 14 HIS HD1 H -5.617 -3.176 -2.472 1.00 . A A . 13 HIS HD1 1 1
13 6673 1 1 14 HIS HD2 H -2.933 -0.091 -1.524 1.00 . A A . 13 HIS HD2 1 1
13 6674 1 1 14 HIS HE1 H -6.187 -1.227 -4.000 1.00 . A A . 13 HIS HE1 1 1
13 6675 1 1 14 HIS N N -5.393 -1.847 0.772 1.00 . A A . 13 HIS N 1 1
13 6676 1 1 14 HIS ND1 N -5.087 -2.317 -2.518 1.00 . A A . 13 HIS ND1 1 1
13 6677 1 1 14 HIS NE2 N -4.545 -0.242 -3.030 1.00 . A A . 13 HIS NE2 1 1
13 6678 1 1 14 HIS O O -3.721 -4.890 1.662 1.00 . A A . 13 HIS O 1 1
13 6679 1 1 15 HIS C C -4.983 -4.100 4.917 1.00 . A A . 14 HIS C 1 1
13 6680 1 1 15 HIS CA C -3.722 -3.625 4.193 1.00 . A A . 14 HIS CA 1 1
13 6681 1 1 15 HIS CB C -3.001 -2.614 5.084 1.00 . A A . 14 HIS CB 1 1
13 6682 1 1 15 HIS CD2 C -1.315 -1.076 3.948 1.00 . A A . 14 HIS CD2 1 1
13 6683 1 1 15 HIS CE1 C 0.508 -2.260 4.151 1.00 . A A . 14 HIS CE1 1 1
13 6684 1 1 15 HIS CG C -1.639 -2.234 4.589 1.00 . A A . 14 HIS CG 1 1
13 6685 1 1 15 HIS H H -4.318 -2.055 2.883 1.00 . A A . 14 HIS H 1 1
13 6686 1 1 15 HIS HA H -3.069 -4.485 4.061 1.00 . A A . 14 HIS HA 1 1
13 6687 1 1 15 HIS HB2 H -3.611 -1.721 5.178 1.00 . A A . 14 HIS HB2 1 1
13 6688 1 1 15 HIS HB3 H -2.884 -3.039 6.077 1.00 . A A . 14 HIS HB3 1 1
13 6689 1 1 15 HIS HD1 H -0.399 -3.880 5.135 1.00 . A A . 14 HIS HD1 1 1
13 6690 1 1 15 HIS HD2 H -2.008 -0.284 3.712 1.00 . A A . 14 HIS HD2 1 1
13 6691 1 1 15 HIS HE1 H 1.536 -2.575 4.104 1.00 . A A . 14 HIS HE1 1 1
13 6692 1 1 15 HIS N N -4.020 -3.022 2.892 1.00 . A A . 14 HIS N 1 1
13 6693 1 1 15 HIS ND1 N -0.486 -2.969 4.707 1.00 . A A . 14 HIS ND1 1 1
13 6694 1 1 15 HIS NE2 N 0.052 -1.099 3.666 1.00 . A A . 14 HIS NE2 1 1
13 6695 1 1 15 HIS O O -4.878 -4.948 5.796 1.00 . A A . 14 HIS O 1 1
13 6696 1 1 16 GLN C C -8.079 -5.121 4.571 1.00 . A A . 15 GLN C 1 1
13 6697 1 1 16 GLN CA C -7.424 -3.903 5.221 1.00 . A A . 15 GLN CA 1 1
13 6698 1 1 16 GLN CB C -8.365 -2.696 5.158 1.00 . A A . 15 GLN CB 1 1
13 6699 1 1 16 GLN CD C -7.102 -1.558 7.104 1.00 . A A . 15 GLN CD 1 1
13 6700 1 1 16 GLN CG C -7.777 -1.407 5.739 1.00 . A A . 15 GLN CG 1 1
13 6701 1 1 16 GLN H H -6.192 -2.849 3.874 1.00 . A A . 15 GLN H 1 1
13 6702 1 1 16 GLN HA H -7.233 -4.140 6.264 1.00 . A A . 15 GLN HA 1 1
13 6703 1 1 16 GLN HB2 H -8.643 -2.506 4.121 1.00 . A A . 15 GLN HB2 1 1
13 6704 1 1 16 GLN HB3 H -9.278 -2.934 5.695 1.00 . A A . 15 GLN HB3 1 1
13 6705 1 1 16 GLN HE21 H -8.623 -0.599 8.043 1.00 . A A . 15 GLN HE21 1 1
13 6706 1 1 16 GLN HE22 H -7.320 -1.136 9.077 1.00 . A A . 15 GLN HE22 1 1
13 6707 1 1 16 GLN HG2 H -7.063 -0.989 5.031 1.00 . A A . 15 GLN HG2 1 1
13 6708 1 1 16 GLN HG3 H -8.602 -0.712 5.840 1.00 . A A . 15 GLN HG3 1 1
13 6709 1 1 16 GLN N N -6.161 -3.565 4.581 1.00 . A A . 15 GLN N 1 1
13 6710 1 1 16 GLN NE2 N -7.734 -1.066 8.159 1.00 . A A . 15 GLN NE2 1 1
13 6711 1 1 16 GLN O O -8.744 -5.892 5.251 1.00 . A A . 15 GLN O 1 1
13 6712 1 1 16 GLN OE1 O -6.009 -2.101 7.214 1.00 . A A . 15 GLN OE1 1 1
13 6713 1 1 17 LYS C C -7.544 -6.586 1.195 1.00 . A A . 16 LYS C 1 1
13 6714 1 1 17 LYS CA C -8.321 -6.466 2.507 1.00 . A A . 16 LYS CA 1 1
13 6715 1 1 17 LYS CB C -9.840 -6.406 2.278 1.00 . A A . 16 LYS CB 1 1
13 6716 1 1 17 LYS CD C -11.796 -5.237 1.135 1.00 . A A . 16 LYS CD 1 1
13 6717 1 1 17 LYS CE C -12.651 -5.238 2.398 1.00 . A A . 16 LYS CE 1 1
13 6718 1 1 17 LYS CG C -10.311 -5.160 1.504 1.00 . A A . 16 LYS CG 1 1
13 6719 1 1 17 LYS H H -7.342 -4.611 2.770 1.00 . A A . 16 LYS H 1 1
13 6720 1 1 17 LYS HA H -8.114 -7.360 3.095 1.00 . A A . 16 LYS HA 1 1
13 6721 1 1 17 LYS HB2 H -10.141 -7.299 1.735 1.00 . A A . 16 LYS HB2 1 1
13 6722 1 1 17 LYS HB3 H -10.335 -6.438 3.246 1.00 . A A . 16 LYS HB3 1 1
13 6723 1 1 17 LYS HD2 H -12.056 -4.374 0.523 1.00 . A A . 16 LYS HD2 1 1
13 6724 1 1 17 LYS HD3 H -11.984 -6.148 0.564 1.00 . A A . 16 LYS HD3 1 1
13 6725 1 1 17 LYS HE2 H -12.312 -6.041 3.049 1.00 . A A . 16 LYS HE2 1 1
13 6726 1 1 17 LYS HE3 H -12.542 -4.284 2.915 1.00 . A A . 16 LYS HE3 1 1
13 6727 1 1 17 LYS HG2 H -10.144 -4.270 2.113 1.00 . A A . 16 LYS HG2 1 1
13 6728 1 1 17 LYS HG3 H -9.741 -5.064 0.581 1.00 . A A . 16 LYS HG3 1 1
13 6729 1 1 17 LYS HZ1 H -14.606 -5.414 2.957 1.00 . A A . 16 LYS HZ1 1 1
13 6730 1 1 17 LYS HZ2 H -14.401 -4.796 1.441 1.00 . A A . 16 LYS HZ2 1 1
13 6731 1 1 17 LYS HZ3 H -14.174 -6.403 1.720 1.00 . A A . 16 LYS HZ3 1 1
13 6732 1 1 17 LYS N N -7.858 -5.318 3.271 1.00 . A A . 16 LYS N 1 1
13 6733 1 1 17 LYS NZ N -14.062 -5.476 2.106 1.00 . A A . 16 LYS NZ 1 1
13 6734 1 1 17 LYS O O -7.029 -5.609 0.659 1.00 . A A . 16 LYS O 1 1
13 6735 1 1 18 NH2 HN1 H -6.949 -7.941 -0.191 1.00 . A A . 17 NH2 HN1 1 1
13 6736 1 1 18 NH2 HN2 H -7.891 -8.587 1.137 1.00 . A A . 17 NH2 HN2 1 1
13 6737 1 1 18 NH2 N N -7.459 -7.804 0.669 1.00 . A A . 17 NH2 N 1 1
13 6738 2 1 1 ACE C C 15.211 7.740 -4.377 1.00 . B B . 0 ACE C 1 1
13 6739 2 1 1 ACE CH3 C 14.698 7.887 -2.956 1.00 . B B . 0 ACE CH3 1 1
13 6740 2 1 1 ACE H1 H 14.899 8.893 -2.592 1.00 . B B . 0 ACE H1 1 1
13 6741 2 1 1 ACE H2 H 13.628 7.687 -2.933 1.00 . B B . 0 ACE H2 1 1
13 6742 2 1 1 ACE H3 H 15.217 7.186 -2.309 1.00 . B B . 0 ACE H3 1 1
13 6743 2 1 1 ACE O O 15.625 8.727 -4.974 1.00 . B B . 0 ACE O 1 1
13 6744 2 1 2 ASP C C 15.208 4.829 -6.716 1.00 . B B . 1 ASP C 1 1
13 6745 2 1 2 ASP CA C 15.757 6.163 -6.203 1.00 . B B . 1 ASP CA 1 1
13 6746 2 1 2 ASP CB C 17.292 6.119 -6.110 1.00 . B B . 1 ASP CB 1 1
13 6747 2 1 2 ASP CG C 17.958 5.802 -7.448 1.00 . B B . 1 ASP CG 1 1
13 6748 2 1 2 ASP H H 14.822 5.749 -4.352 1.00 . B B . 1 ASP H 1 1
13 6749 2 1 2 ASP HA H 15.477 6.943 -6.911 1.00 . B B . 1 ASP HA 1 1
13 6750 2 1 2 ASP HB2 H 17.663 7.082 -5.760 1.00 . B B . 1 ASP HB2 1 1
13 6751 2 1 2 ASP HB3 H 17.578 5.356 -5.388 1.00 . B B . 1 ASP HB3 1 1
13 6752 2 1 2 ASP N N 15.187 6.511 -4.907 1.00 . B B . 1 ASP N 1 1
13 6753 2 1 2 ASP O O 14.884 3.927 -5.944 1.00 . B B . 1 ASP O 1 1
13 6754 2 1 2 ASP OD1 O 18.251 6.758 -8.188 1.00 . B B . 1 ASP OD1 1 1
13 6755 2 1 2 ASP OD2 O 18.174 4.607 -7.730 1.00 . B B . 1 ASP OD2 1 1
13 6756 2 1 3 ALA C C 15.295 2.233 -8.348 1.00 . B B . 2 ALA C 1 1
13 6757 2 1 3 ALA CA C 14.757 3.575 -8.840 1.00 . B B . 2 ALA CA 1 1
13 6758 2 1 3 ALA CB C 15.264 3.802 -10.265 1.00 . B B . 2 ALA CB 1 1
13 6759 2 1 3 ALA H H 15.514 5.514 -8.574 1.00 . B B . 2 ALA H 1 1
13 6760 2 1 3 ALA HA H 13.670 3.536 -8.852 1.00 . B B . 2 ALA HA 1 1
13 6761 2 1 3 ALA HB1 H 14.960 2.969 -10.897 1.00 . B B . 2 ALA HB1 1 1
13 6762 2 1 3 ALA HB2 H 14.853 4.727 -10.663 1.00 . B B . 2 ALA HB2 1 1
13 6763 2 1 3 ALA HB3 H 16.354 3.869 -10.257 1.00 . B B . 2 ALA HB3 1 1
13 6764 2 1 3 ALA N N 15.180 4.720 -8.048 1.00 . B B . 2 ALA N 1 1
13 6765 2 1 3 ALA O O 14.594 1.238 -8.466 1.00 . B B . 2 ALA O 1 1
13 6766 2 1 4 GLU C C 16.512 0.124 -6.363 1.00 . B B . 3 GLU C 1 1
13 6767 2 1 4 GLU CA C 17.199 0.952 -7.447 1.00 . B B . 3 GLU CA 1 1
13 6768 2 1 4 GLU CB C 18.636 1.265 -7.032 1.00 . B B . 3 GLU CB 1 1
13 6769 2 1 4 GLU CD C 20.134 2.289 -5.255 1.00 . B B . 3 GLU CD 1 1
13 6770 2 1 4 GLU CG C 18.702 2.058 -5.719 1.00 . B B . 3 GLU CG 1 1
13 6771 2 1 4 GLU H H 17.032 3.046 -7.710 1.00 . B B . 3 GLU H 1 1
13 6772 2 1 4 GLU HA H 17.236 0.336 -8.342 1.00 . B B . 3 GLU HA 1 1
13 6773 2 1 4 GLU HB2 H 19.175 0.327 -6.902 1.00 . B B . 3 GLU HB2 1 1
13 6774 2 1 4 GLU HB3 H 19.115 1.834 -7.829 1.00 . B B . 3 GLU HB3 1 1
13 6775 2 1 4 GLU HG2 H 18.191 3.010 -5.852 1.00 . B B . 3 GLU HG2 1 1
13 6776 2 1 4 GLU HG3 H 18.185 1.510 -4.936 1.00 . B B . 3 GLU HG3 1 1
13 6777 2 1 4 GLU N N 16.512 2.186 -7.799 1.00 . B B . 3 GLU N 1 1
13 6778 2 1 4 GLU O O 16.802 -1.062 -6.286 1.00 . B B . 3 GLU O 1 1
13 6779 2 1 4 GLU OE1 O 21.030 2.337 -6.117 1.00 . B B . 3 GLU OE1 1 1
13 6780 2 1 4 GLU OE2 O 20.339 2.408 -4.035 1.00 . B B . 3 GLU OE2 1 1
13 6781 2 1 5 PHE C C 13.316 0.068 -4.905 1.00 . B B . 4 PHE C 1 1
13 6782 2 1 5 PHE CA C 14.812 -0.008 -4.571 1.00 . B B . 4 PHE CA 1 1
13 6783 2 1 5 PHE CB C 15.121 0.488 -3.166 1.00 . B B . 4 PHE CB 1 1
13 6784 2 1 5 PHE CD1 C 13.388 2.168 -2.427 1.00 . B B . 4 PHE CD1 1 1
13 6785 2 1 5 PHE CD2 C 15.615 2.952 -3.031 1.00 . B B . 4 PHE CD2 1 1
13 6786 2 1 5 PHE CE1 C 13.017 3.474 -2.081 1.00 . B B . 4 PHE CE1 1 1
13 6787 2 1 5 PHE CE2 C 15.249 4.257 -2.671 1.00 . B B . 4 PHE CE2 1 1
13 6788 2 1 5 PHE CG C 14.692 1.905 -2.881 1.00 . B B . 4 PHE CG 1 1
13 6789 2 1 5 PHE CZ C 13.951 4.517 -2.193 1.00 . B B . 4 PHE CZ 1 1
13 6790 2 1 5 PHE H H 15.500 1.709 -5.607 1.00 . B B . 4 PHE H 1 1
13 6791 2 1 5 PHE HA H 15.082 -1.061 -4.586 1.00 . B B . 4 PHE HA 1 1
13 6792 2 1 5 PHE HB2 H 14.637 -0.177 -2.454 1.00 . B B . 4 PHE HB2 1 1
13 6793 2 1 5 PHE HB3 H 16.193 0.406 -3.001 1.00 . B B . 4 PHE HB3 1 1
13 6794 2 1 5 PHE HD1 H 12.679 1.360 -2.334 1.00 . B B . 4 PHE HD1 1 1
13 6795 2 1 5 PHE HD2 H 16.605 2.746 -3.412 1.00 . B B . 4 PHE HD2 1 1
13 6796 2 1 5 PHE HE1 H 12.016 3.677 -1.734 1.00 . B B . 4 PHE HE1 1 1
13 6797 2 1 5 PHE HE2 H 15.973 5.052 -2.755 1.00 . B B . 4 PHE HE2 1 1
13 6798 2 1 5 PHE HZ H 13.661 5.517 -1.915 1.00 . B B . 4 PHE HZ 1 1
13 6799 2 1 5 PHE N N 15.635 0.712 -5.540 1.00 . B B . 4 PHE N 1 1
13 6800 2 1 5 PHE O O 12.495 -0.429 -4.137 1.00 . B B . 4 PHE O 1 1
13 6801 2 1 6 ARG C C 11.437 -0.783 -7.349 1.00 . B B . 5 ARG C 1 1
13 6802 2 1 6 ARG CA C 11.633 0.582 -6.650 1.00 . B B . 5 ARG CA 1 1
13 6803 2 1 6 ARG CB C 11.481 1.795 -7.587 1.00 . B B . 5 ARG CB 1 1
13 6804 2 1 6 ARG CD C 9.110 2.380 -6.765 1.00 . B B . 5 ARG CD 1 1
13 6805 2 1 6 ARG CG C 10.028 2.101 -7.961 1.00 . B B . 5 ARG CG 1 1
13 6806 2 1 6 ARG CZ C 8.865 4.373 -5.282 1.00 . B B . 5 ARG CZ 1 1
13 6807 2 1 6 ARG H H 13.670 1.061 -6.642 1.00 . B B . 5 ARG H 1 1
13 6808 2 1 6 ARG HA H 10.919 0.679 -5.838 1.00 . B B . 5 ARG HA 1 1
13 6809 2 1 6 ARG HB2 H 11.906 2.675 -7.105 1.00 . B B . 5 ARG HB2 1 1
13 6810 2 1 6 ARG HB3 H 12.042 1.625 -8.505 1.00 . B B . 5 ARG HB3 1 1
13 6811 2 1 6 ARG HD2 H 8.118 2.615 -7.140 1.00 . B B . 5 ARG HD2 1 1
13 6812 2 1 6 ARG HD3 H 9.037 1.497 -6.132 1.00 . B B . 5 ARG HD3 1 1
13 6813 2 1 6 ARG HE H 10.609 3.495 -5.797 1.00 . B B . 5 ARG HE 1 1
13 6814 2 1 6 ARG HG2 H 10.020 2.972 -8.614 1.00 . B B . 5 ARG HG2 1 1
13 6815 2 1 6 ARG HG3 H 9.631 1.255 -8.516 1.00 . B B . 5 ARG HG3 1 1
13 6816 2 1 6 ARG HH11 H 7.047 3.726 -5.933 1.00 . B B . 5 ARG HH11 1 1
13 6817 2 1 6 ARG HH12 H 7.011 5.096 -4.848 1.00 . B B . 5 ARG HH12 1 1
13 6818 2 1 6 ARG HH21 H 10.482 5.256 -4.428 1.00 . B B . 5 ARG HH21 1 1
13 6819 2 1 6 ARG HH22 H 8.933 5.952 -4.010 1.00 . B B . 5 ARG HH22 1 1
13 6820 2 1 6 ARG N N 12.959 0.642 -6.062 1.00 . B B . 5 ARG N 1 1
13 6821 2 1 6 ARG NE N 9.609 3.476 -5.940 1.00 . B B . 5 ARG NE 1 1
13 6822 2 1 6 ARG NH1 N 7.534 4.402 -5.362 1.00 . B B . 5 ARG NH1 1 1
13 6823 2 1 6 ARG NH2 N 9.475 5.262 -4.506 1.00 . B B . 5 ARG NH2 1 1
13 6824 2 1 6 ARG O O 11.089 -0.839 -8.524 1.00 . B B . 5 ARG O 1 1
13 6825 2 1 7 ARG C C 11.003 -4.231 -6.928 1.00 . B B . 6 ARG C 1 1
13 6826 2 1 7 ARG CA C 12.079 -3.187 -7.206 1.00 . B B . 6 ARG CA 1 1
13 6827 2 1 7 ARG CB C 13.394 -3.687 -6.585 1.00 . B B . 6 ARG CB 1 1
13 6828 2 1 7 ARG CD C 14.949 -2.823 -8.449 1.00 . B B . 6 ARG CD 1 1
13 6829 2 1 7 ARG CG C 14.612 -2.850 -6.956 1.00 . B B . 6 ARG CG 1 1
13 6830 2 1 7 ARG CZ C 13.764 -1.443 -10.189 1.00 . B B . 6 ARG CZ 1 1
13 6831 2 1 7 ARG H H 12.015 -1.757 -5.679 1.00 . B B . 6 ARG H 1 1
13 6832 2 1 7 ARG HA H 12.210 -3.096 -8.280 1.00 . B B . 6 ARG HA 1 1
13 6833 2 1 7 ARG HB2 H 13.296 -3.673 -5.498 1.00 . B B . 6 ARG HB2 1 1
13 6834 2 1 7 ARG HB3 H 13.591 -4.712 -6.900 1.00 . B B . 6 ARG HB3 1 1
13 6835 2 1 7 ARG HD2 H 16.032 -2.882 -8.559 1.00 . B B . 6 ARG HD2 1 1
13 6836 2 1 7 ARG HD3 H 14.508 -3.690 -8.934 1.00 . B B . 6 ARG HD3 1 1
13 6837 2 1 7 ARG HE H 14.793 -0.723 -8.611 1.00 . B B . 6 ARG HE 1 1
13 6838 2 1 7 ARG HG2 H 14.446 -1.836 -6.605 1.00 . B B . 6 ARG HG2 1 1
13 6839 2 1 7 ARG HG3 H 15.465 -3.266 -6.426 1.00 . B B . 6 ARG HG3 1 1
13 6840 2 1 7 ARG HH11 H 13.617 -3.423 -10.619 1.00 . B B . 6 ARG HH11 1 1
13 6841 2 1 7 ARG HH12 H 12.822 -2.347 -11.746 1.00 . B B . 6 ARG HH12 1 1
13 6842 2 1 7 ARG HH21 H 13.743 0.585 -10.112 1.00 . B B . 6 ARG HH21 1 1
13 6843 2 1 7 ARG HH22 H 12.903 -0.117 -11.471 1.00 . B B . 6 ARG HH22 1 1
13 6844 2 1 7 ARG N N 11.764 -1.878 -6.646 1.00 . B B . 6 ARG N 1 1
13 6845 2 1 7 ARG NE N 14.503 -1.573 -9.076 1.00 . B B . 6 ARG NE 1 1
13 6846 2 1 7 ARG NH1 N 13.366 -2.488 -10.907 1.00 . B B . 6 ARG NH1 1 1
13 6847 2 1 7 ARG NH2 N 13.410 -0.231 -10.605 1.00 . B B . 6 ARG NH2 1 1
13 6848 2 1 7 ARG O O 10.153 -4.072 -6.061 1.00 . B B . 6 ARG O 1 1
13 6849 2 1 8 ASP C C 10.759 -7.156 -5.910 1.00 . B B . 7 ASP C 1 1
13 6850 2 1 8 ASP CA C 10.420 -6.603 -7.303 1.00 . B B . 7 ASP CA 1 1
13 6851 2 1 8 ASP CB C 10.836 -7.634 -8.355 1.00 . B B . 7 ASP CB 1 1
13 6852 2 1 8 ASP CG C 12.290 -8.061 -8.169 1.00 . B B . 7 ASP CG 1 1
13 6853 2 1 8 ASP H H 11.870 -5.434 -8.291 1.00 . B B . 7 ASP H 1 1
13 6854 2 1 8 ASP HA H 9.350 -6.420 -7.369 1.00 . B B . 7 ASP HA 1 1
13 6855 2 1 8 ASP HB2 H 10.195 -8.508 -8.253 1.00 . B B . 7 ASP HB2 1 1
13 6856 2 1 8 ASP HB3 H 10.707 -7.221 -9.353 1.00 . B B . 7 ASP HB3 1 1
13 6857 2 1 8 ASP N N 11.132 -5.370 -7.603 1.00 . B B . 7 ASP N 1 1
13 6858 2 1 8 ASP O O 10.019 -7.973 -5.380 1.00 . B B . 7 ASP O 1 1
13 6859 2 1 8 ASP OD1 O 13.197 -7.249 -8.442 1.00 . B B . 7 ASP OD1 1 1
13 6860 2 1 8 ASP OD2 O 12.490 -9.198 -7.713 1.00 . B B . 7 ASP OD2 1 1
13 6861 2 1 9 SER C C 11.884 -7.222 -2.871 1.00 . B B . 8 SER C 1 1
13 6862 2 1 9 SER CA C 12.600 -7.332 -4.226 1.00 . B B . 8 SER CA 1 1
13 6863 2 1 9 SER CB C 14.003 -6.719 -4.166 1.00 . B B . 8 SER CB 1 1
13 6864 2 1 9 SER H H 12.457 -6.117 -5.924 1.00 . B B . 8 SER H 1 1
13 6865 2 1 9 SER HA H 12.715 -8.390 -4.441 1.00 . B B . 8 SER HA 1 1
13 6866 2 1 9 SER HB2 H 13.930 -5.656 -3.935 1.00 . B B . 8 SER HB2 1 1
13 6867 2 1 9 SER HB3 H 14.590 -7.217 -3.393 1.00 . B B . 8 SER HB3 1 1
13 6868 2 1 9 SER HG H 15.528 -6.494 -5.354 1.00 . B B . 8 SER HG 1 1
13 6869 2 1 9 SER N N 11.902 -6.738 -5.358 1.00 . B B . 8 SER N 1 1
13 6870 2 1 9 SER O O 12.482 -7.577 -1.859 1.00 . B B . 8 SER O 1 1
13 6871 2 1 9 SER OG O 14.649 -6.881 -5.411 1.00 . B B . 8 SER OG 1 1
13 6872 2 1 10 GLY C C 8.373 -7.129 -2.115 1.00 . B B . 9 GLY C 1 1
13 6873 2 1 10 GLY CA C 9.774 -6.710 -1.668 1.00 . B B . 9 GLY CA 1 1
13 6874 2 1 10 GLY H H 10.181 -6.500 -3.706 1.00 . B B . 9 GLY H 1 1
13 6875 2 1 10 GLY HA2 H 10.131 -7.377 -0.890 1.00 . B B . 9 GLY HA2 1 1
13 6876 2 1 10 GLY HA3 H 9.782 -5.700 -1.273 1.00 . B B . 9 GLY HA3 1 1
13 6877 2 1 10 GLY N N 10.633 -6.746 -2.836 1.00 . B B . 9 GLY N 1 1
13 6878 2 1 10 GLY O O 8.177 -8.304 -2.397 1.00 . B B . 9 GLY O 1 1
13 6879 2 1 11 TYR C C 6.034 -4.251 -1.716 1.00 . B B . 10 TYR C 1 1
13 6880 2 1 11 TYR CA C 7.430 -4.852 -1.797 1.00 . B B . 10 TYR CA 1 1
13 6881 2 1 11 TYR CB C 8.256 -4.019 -2.789 1.00 . B B . 10 TYR CB 1 1
13 6882 2 1 11 TYR CD1 C 9.336 -2.621 -0.978 1.00 . B B . 10 TYR CD1 1 1
13 6883 2 1 11 TYR CD2 C 10.697 -3.410 -2.833 1.00 . B B . 10 TYR CD2 1 1
13 6884 2 1 11 TYR CE1 C 10.432 -1.931 -0.449 1.00 . B B . 10 TYR CE1 1 1
13 6885 2 1 11 TYR CE2 C 11.802 -2.728 -2.313 1.00 . B B . 10 TYR CE2 1 1
13 6886 2 1 11 TYR CG C 9.456 -3.335 -2.182 1.00 . B B . 10 TYR CG 1 1
13 6887 2 1 11 TYR CZ C 11.665 -1.969 -1.132 1.00 . B B . 10 TYR CZ 1 1
13 6888 2 1 11 TYR H H 6.536 -6.493 -2.680 1.00 . B B . 10 TYR H 1 1
13 6889 2 1 11 TYR HA H 7.876 -4.814 -0.804 1.00 . B B . 10 TYR HA 1 1
13 6890 2 1 11 TYR HB2 H 8.583 -4.636 -3.623 1.00 . B B . 10 TYR HB2 1 1
13 6891 2 1 11 TYR HB3 H 7.616 -3.253 -3.223 1.00 . B B . 10 TYR HB3 1 1
13 6892 2 1 11 TYR HD1 H 8.402 -2.602 -0.451 1.00 . B B . 10 TYR HD1 1 1
13 6893 2 1 11 TYR HD2 H 10.807 -3.999 -3.726 1.00 . B B . 10 TYR HD2 1 1
13 6894 2 1 11 TYR HE1 H 10.325 -1.384 0.474 1.00 . B B . 10 TYR HE1 1 1
13 6895 2 1 11 TYR HE2 H 12.757 -2.795 -2.811 1.00 . B B . 10 TYR HE2 1 1
13 6896 2 1 11 TYR HH H 12.533 -0.834 0.180 1.00 . B B . 10 TYR HH 1 1
13 6897 2 1 11 TYR N N 7.385 -6.231 -2.216 1.00 . B B . 10 TYR N 1 1
13 6898 2 1 11 TYR O O 5.166 -4.520 -2.545 1.00 . B B . 10 TYR O 1 1
13 6899 2 1 11 TYR OH O 12.733 -1.300 -0.636 1.00 . B B . 10 TYR OH 1 1
13 6900 2 1 12 GLU C C 6.306 -0.957 -0.714 1.00 . B B . 11 GLU C 1 1
13 6901 2 1 12 GLU CA C 5.281 -2.036 -1.076 1.00 . B B . 11 GLU CA 1 1
13 6902 2 1 12 GLU CB C 4.015 -1.904 -0.242 1.00 . B B . 11 GLU CB 1 1
13 6903 2 1 12 GLU CD C 2.202 -0.238 0.430 1.00 . B B . 11 GLU CD 1 1
13 6904 2 1 12 GLU CG C 3.217 -0.655 -0.627 1.00 . B B . 11 GLU CG 1 1
13 6905 2 1 12 GLU H H 6.621 -3.253 -0.072 1.00 . B B . 11 GLU H 1 1
13 6906 2 1 12 GLU HA H 5.030 -1.988 -2.136 1.00 . B B . 11 GLU HA 1 1
13 6907 2 1 12 GLU HB2 H 3.395 -2.782 -0.400 1.00 . B B . 11 GLU HB2 1 1
13 6908 2 1 12 GLU HB3 H 4.303 -1.871 0.806 1.00 . B B . 11 GLU HB3 1 1
13 6909 2 1 12 GLU HG2 H 3.899 0.183 -0.774 1.00 . B B . 11 GLU HG2 1 1
13 6910 2 1 12 GLU HG3 H 2.700 -0.841 -1.568 1.00 . B B . 11 GLU HG3 1 1
13 6911 2 1 12 GLU N N 5.912 -3.303 -0.788 1.00 . B B . 11 GLU N 1 1
13 6912 2 1 12 GLU O O 6.772 -0.899 0.423 1.00 . B B . 11 GLU O 1 1
13 6913 2 1 12 GLU OE1 O 1.821 -1.066 1.283 1.00 . B B . 11 GLU OE1 1 1
13 6914 2 1 12 GLU OE2 O 1.801 0.931 0.395 1.00 . B B . 11 GLU OE2 1 1
13 6915 2 1 13 VAL C C 7.081 2.205 -1.007 1.00 . B B . 12 VAL C 1 1
13 6916 2 1 13 VAL CA C 7.689 0.910 -1.567 1.00 . B B . 12 VAL CA 1 1
13 6917 2 1 13 VAL CB C 8.391 1.143 -2.927 1.00 . B B . 12 VAL CB 1 1
13 6918 2 1 13 VAL CG1 C 9.587 2.098 -2.787 1.00 . B B . 12 VAL CG1 1 1
13 6919 2 1 13 VAL CG2 C 8.953 -0.164 -3.500 1.00 . B B . 12 VAL CG2 1 1
13 6920 2 1 13 VAL H H 6.231 -0.209 -2.589 1.00 . B B . 12 VAL H 1 1
13 6921 2 1 13 VAL HA H 8.448 0.540 -0.894 1.00 . B B . 12 VAL HA 1 1
13 6922 2 1 13 VAL HB H 7.677 1.562 -3.638 1.00 . B B . 12 VAL HB 1 1
13 6923 2 1 13 VAL HG11 H 10.190 2.094 -3.694 1.00 . B B . 12 VAL HG11 1 1
13 6924 2 1 13 VAL HG12 H 9.231 3.110 -2.619 1.00 . B B . 12 VAL HG12 1 1
13 6925 2 1 13 VAL HG13 H 10.217 1.791 -1.952 1.00 . B B . 12 VAL HG13 1 1
13 6926 2 1 13 VAL HG21 H 9.378 0.012 -4.484 1.00 . B B . 12 VAL HG21 1 1
13 6927 2 1 13 VAL HG22 H 9.729 -0.551 -2.845 1.00 . B B . 12 VAL HG22 1 1
13 6928 2 1 13 VAL HG23 H 8.160 -0.900 -3.605 1.00 . B B . 12 VAL HG23 1 1
13 6929 2 1 13 VAL N N 6.667 -0.120 -1.688 1.00 . B B . 12 VAL N 1 1
13 6930 2 1 13 VAL O O 7.809 3.024 -0.451 1.00 . B B . 12 VAL O 1 1
13 6931 2 1 14 HIS C C 5.258 4.475 0.172 1.00 . B B . 13 HIS C 1 1
13 6932 2 1 14 HIS CA C 5.118 3.704 -1.139 1.00 . B B . 13 HIS CA 1 1
13 6933 2 1 14 HIS CB C 3.625 3.561 -1.458 1.00 . B B . 13 HIS CB 1 1
13 6934 2 1 14 HIS CD2 C 4.065 2.750 -3.862 1.00 . B B . 13 HIS CD2 1 1
13 6935 2 1 14 HIS CE1 C 2.199 1.676 -4.247 1.00 . B B . 13 HIS CE1 1 1
13 6936 2 1 14 HIS CG C 3.294 2.838 -2.737 1.00 . B B . 13 HIS CG 1 1
13 6937 2 1 14 HIS H H 5.212 1.640 -1.546 1.00 . B B . 13 HIS H 1 1
13 6938 2 1 14 HIS HA H 5.607 4.282 -1.917 1.00 . B B . 13 HIS HA 1 1
13 6939 2 1 14 HIS HB2 H 3.144 3.035 -0.634 1.00 . B B . 13 HIS HB2 1 1
13 6940 2 1 14 HIS HB3 H 3.185 4.558 -1.516 1.00 . B B . 13 HIS HB3 1 1
13 6941 2 1 14 HIS HD1 H 1.347 2.055 -2.368 1.00 . B B . 13 HIS HD1 1 1
13 6942 2 1 14 HIS HD2 H 5.050 3.178 -3.991 1.00 . B B . 13 HIS HD2 1 1
13 6943 2 1 14 HIS HE1 H 1.427 1.102 -4.729 1.00 . B B . 13 HIS HE1 1 1
13 6944 2 1 14 HIS N N 5.758 2.393 -1.155 1.00 . B B . 13 HIS N 1 1
13 6945 2 1 14 HIS ND1 N 2.129 2.159 -2.998 1.00 . B B . 13 HIS ND1 1 1
13 6946 2 1 14 HIS NE2 N 3.362 2.009 -4.817 1.00 . B B . 13 HIS NE2 1 1
13 6947 2 1 14 HIS O O 5.273 5.701 0.147 1.00 . B B . 13 HIS O 1 1
13 6948 2 1 15 HIS C C 6.570 3.458 3.419 1.00 . B B . 14 HIS C 1 1
13 6949 2 1 15 HIS CA C 5.582 4.325 2.626 1.00 . B B . 14 HIS CA 1 1
13 6950 2 1 15 HIS CB C 4.234 4.513 3.340 1.00 . B B . 14 HIS CB 1 1
13 6951 2 1 15 HIS CD2 C 2.628 2.609 2.760 1.00 . B B . 14 HIS CD2 1 1
13 6952 2 1 15 HIS CE1 C 2.513 1.567 4.678 1.00 . B B . 14 HIS CE1 1 1
13 6953 2 1 15 HIS CG C 3.458 3.253 3.628 1.00 . B B . 14 HIS CG 1 1
13 6954 2 1 15 HIS H H 5.351 2.758 1.219 1.00 . B B . 14 HIS H 1 1
13 6955 2 1 15 HIS HA H 6.041 5.307 2.518 1.00 . B B . 14 HIS HA 1 1
13 6956 2 1 15 HIS HB2 H 4.419 5.013 4.286 1.00 . B B . 14 HIS HB2 1 1
13 6957 2 1 15 HIS HB3 H 3.609 5.174 2.739 1.00 . B B . 14 HIS HB3 1 1
13 6958 2 1 15 HIS HD1 H 3.834 2.849 5.688 1.00 . B B . 14 HIS HD1 1 1
13 6959 2 1 15 HIS HD2 H 2.454 2.894 1.737 1.00 . B B . 14 HIS HD2 1 1
13 6960 2 1 15 HIS HE1 H 2.227 0.878 5.459 1.00 . B B . 14 HIS HE1 1 1
13 6961 2 1 15 HIS N N 5.373 3.768 1.296 1.00 . B B . 14 HIS N 1 1
13 6962 2 1 15 HIS ND1 N 3.377 2.582 4.827 1.00 . B B . 14 HIS ND1 1 1
13 6963 2 1 15 HIS NE2 N 2.033 1.538 3.426 1.00 . B B . 14 HIS NE2 1 1
13 6964 2 1 15 HIS O O 6.463 3.344 4.637 1.00 . B B . 14 HIS O 1 1
13 6965 2 1 16 GLN C C 9.337 2.358 4.355 1.00 . B B . 15 GLN C 1 1
13 6966 2 1 16 GLN CA C 8.398 1.806 3.287 1.00 . B B . 15 GLN CA 1 1
13 6967 2 1 16 GLN CB C 9.144 1.088 2.161 1.00 . B B . 15 GLN CB 1 1
13 6968 2 1 16 GLN CD C 11.629 1.523 1.959 1.00 . B B . 15 GLN CD 1 1
13 6969 2 1 16 GLN CG C 10.238 1.918 1.469 1.00 . B B . 15 GLN CG 1 1
13 6970 2 1 16 GLN H H 7.570 2.957 1.727 1.00 . B B . 15 GLN H 1 1
13 6971 2 1 16 GLN HA H 7.756 1.075 3.763 1.00 . B B . 15 GLN HA 1 1
13 6972 2 1 16 GLN HB2 H 9.579 0.173 2.557 1.00 . B B . 15 GLN HB2 1 1
13 6973 2 1 16 GLN HB3 H 8.410 0.791 1.421 1.00 . B B . 15 GLN HB3 1 1
13 6974 2 1 16 GLN HE21 H 11.904 3.275 2.951 1.00 . B B . 15 GLN HE21 1 1
13 6975 2 1 16 GLN HE22 H 13.229 2.138 3.040 1.00 . B B . 15 GLN HE22 1 1
13 6976 2 1 16 GLN HG2 H 10.197 1.726 0.398 1.00 . B B . 15 GLN HG2 1 1
13 6977 2 1 16 GLN HG3 H 10.066 2.985 1.618 1.00 . B B . 15 GLN HG3 1 1
13 6978 2 1 16 GLN N N 7.520 2.819 2.724 1.00 . B B . 15 GLN N 1 1
13 6979 2 1 16 GLN NE2 N 12.303 2.378 2.720 1.00 . B B . 15 GLN NE2 1 1
13 6980 2 1 16 GLN O O 9.581 3.557 4.426 1.00 . B B . 15 GLN O 1 1
13 6981 2 1 16 GLN OE1 O 12.096 0.431 1.659 1.00 . B B . 15 GLN OE1 1 1
13 6982 2 1 17 LYS C C 11.936 0.843 6.354 1.00 . B B . 16 LYS C 1 1
13 6983 2 1 17 LYS CA C 10.771 1.835 6.285 1.00 . B B . 16 LYS CA 1 1
13 6984 2 1 17 LYS CB C 9.978 1.921 7.602 1.00 . B B . 16 LYS CB 1 1
13 6985 2 1 17 LYS CD C 8.273 3.331 8.904 1.00 . B B . 16 LYS CD 1 1
13 6986 2 1 17 LYS CE C 9.261 3.861 9.938 1.00 . B B . 16 LYS CE 1 1
13 6987 2 1 17 LYS CG C 8.965 3.082 7.565 1.00 . B B . 16 LYS CG 1 1
13 6988 2 1 17 LYS H H 9.658 0.492 5.058 1.00 . B B . 16 LYS H 1 1
13 6989 2 1 17 LYS HA H 11.205 2.814 6.089 1.00 . B B . 16 LYS HA 1 1
13 6990 2 1 17 LYS HB2 H 9.452 0.982 7.776 1.00 . B B . 16 LYS HB2 1 1
13 6991 2 1 17 LYS HB3 H 10.677 2.082 8.421 1.00 . B B . 16 LYS HB3 1 1
13 6992 2 1 17 LYS HD2 H 7.482 4.067 8.758 1.00 . B B . 16 LYS HD2 1 1
13 6993 2 1 17 LYS HD3 H 7.827 2.404 9.262 1.00 . B B . 16 LYS HD3 1 1
13 6994 2 1 17 LYS HE2 H 10.008 3.099 10.155 1.00 . B B . 16 LYS HE2 1 1
13 6995 2 1 17 LYS HE3 H 9.758 4.742 9.535 1.00 . B B . 16 LYS HE3 1 1
13 6996 2 1 17 LYS HG2 H 9.471 4.000 7.262 1.00 . B B . 16 LYS HG2 1 1
13 6997 2 1 17 LYS HG3 H 8.190 2.859 6.834 1.00 . B B . 16 LYS HG3 1 1
13 6998 2 1 17 LYS HZ1 H 8.143 3.405 11.591 1.00 . B B . 16 LYS HZ1 1 1
13 6999 2 1 17 LYS HZ2 H 9.228 4.618 11.835 1.00 . B B . 16 LYS HZ2 1 1
13 7000 2 1 17 LYS HZ3 H 7.854 4.907 10.983 1.00 . B B . 16 LYS HZ3 1 1
13 7001 2 1 17 LYS N N 9.873 1.471 5.191 1.00 . B B . 16 LYS N 1 1
13 7002 2 1 17 LYS NZ N 8.570 4.222 11.179 1.00 . B B . 16 LYS NZ 1 1
13 7003 2 1 17 LYS O O 11.945 -0.142 5.628 1.00 . B B . 16 LYS O 1 1
13 7004 2 1 18 NH2 HN1 H 12.926 1.934 7.759 1.00 . B B . 17 NH2 HN1 1 1
13 7005 2 1 18 NH2 HN2 H 13.729 0.471 7.232 1.00 . B B . 17 NH2 HN2 1 1
13 7006 2 1 18 NH2 N N 12.937 1.096 7.197 1.00 . B B . 17 NH2 N 1 1
13 7007 3 2 1 ZN ZN ZN 0.800 0.305 2.325 1.00 . C A . 101 ZN ZN 1 1
14 7008 1 1 1 ACE C C -17.027 -4.301 -4.616 1.00 . A A . 0 ACE C 1 1
14 7009 1 1 1 ACE CH3 C -16.010 -5.187 -5.321 1.00 . A A . 0 ACE CH3 1 1
14 7010 1 1 1 ACE H1 H -16.401 -5.508 -6.287 1.00 . A A . 0 ACE H1 1 1
14 7011 1 1 1 ACE H2 H -15.086 -4.630 -5.469 1.00 . A A . 0 ACE H2 1 1
14 7012 1 1 1 ACE H3 H -15.803 -6.065 -4.713 1.00 . A A . 0 ACE H3 1 1
14 7013 1 1 1 ACE O O -17.999 -3.885 -5.234 1.00 . A A . 0 ACE O 1 1
14 7014 1 1 2 ASP C C -17.526 -1.709 -2.736 1.00 . A A . 1 ASP C 1 1
14 7015 1 1 2 ASP CA C -17.639 -3.212 -2.455 1.00 . A A . 1 ASP CA 1 1
14 7016 1 1 2 ASP CB C -17.311 -3.549 -0.990 1.00 . A A . 1 ASP CB 1 1
14 7017 1 1 2 ASP CG C -18.273 -4.598 -0.447 1.00 . A A . 1 ASP CG 1 1
14 7018 1 1 2 ASP H H -15.964 -4.410 -2.910 1.00 . A A . 1 ASP H 1 1
14 7019 1 1 2 ASP HA H -18.678 -3.487 -2.628 1.00 . A A . 1 ASP HA 1 1
14 7020 1 1 2 ASP HB2 H -16.285 -3.910 -0.898 1.00 . A A . 1 ASP HB2 1 1
14 7021 1 1 2 ASP HB3 H -17.394 -2.656 -0.369 1.00 . A A . 1 ASP HB3 1 1
14 7022 1 1 2 ASP N N -16.795 -4.022 -3.331 1.00 . A A . 1 ASP N 1 1
14 7023 1 1 2 ASP O O -16.720 -1.267 -3.550 1.00 . A A . 1 ASP O 1 1
14 7024 1 1 2 ASP OD1 O -18.160 -5.768 -0.870 1.00 . A A . 1 ASP OD1 1 1
14 7025 1 1 2 ASP OD2 O -19.130 -4.227 0.372 1.00 . A A . 1 ASP OD2 1 1
14 7026 1 1 3 ALA C C -18.187 1.276 -0.953 1.00 . A A . 2 ALA C 1 1
14 7027 1 1 3 ALA CA C -18.531 0.504 -2.225 1.00 . A A . 2 ALA CA 1 1
14 7028 1 1 3 ALA CB C -19.964 0.762 -2.702 1.00 . A A . 2 ALA CB 1 1
14 7029 1 1 3 ALA H H -18.984 -1.369 -1.382 1.00 . A A . 2 ALA H 1 1
14 7030 1 1 3 ALA HA H -17.847 0.860 -2.990 1.00 . A A . 2 ALA HA 1 1
14 7031 1 1 3 ALA HB1 H -20.150 0.215 -3.625 1.00 . A A . 2 ALA HB1 1 1
14 7032 1 1 3 ALA HB2 H -20.679 0.427 -1.949 1.00 . A A . 2 ALA HB2 1 1
14 7033 1 1 3 ALA HB3 H -20.106 1.825 -2.891 1.00 . A A . 2 ALA HB3 1 1
14 7034 1 1 3 ALA N N -18.365 -0.928 -2.046 1.00 . A A . 2 ALA N 1 1
14 7035 1 1 3 ALA O O -17.152 1.933 -0.928 1.00 . A A . 2 ALA O 1 1
14 7036 1 1 4 GLU C C -17.793 2.470 1.881 1.00 . A A . 3 GLU C 1 1
14 7037 1 1 4 GLU CA C -19.107 2.234 1.138 1.00 . A A . 3 GLU CA 1 1
14 7038 1 1 4 GLU CB C -20.230 1.880 2.117 1.00 . A A . 3 GLU CB 1 1
14 7039 1 1 4 GLU CD C -21.176 0.229 3.731 1.00 . A A . 3 GLU CD 1 1
14 7040 1 1 4 GLU CG C -19.941 0.635 2.953 1.00 . A A . 3 GLU CG 1 1
14 7041 1 1 4 GLU H H -19.844 0.619 -0.010 1.00 . A A . 3 GLU H 1 1
14 7042 1 1 4 GLU HA H -19.381 3.179 0.679 1.00 . A A . 3 GLU HA 1 1
14 7043 1 1 4 GLU HB2 H -20.391 2.724 2.788 1.00 . A A . 3 GLU HB2 1 1
14 7044 1 1 4 GLU HB3 H -21.146 1.713 1.551 1.00 . A A . 3 GLU HB3 1 1
14 7045 1 1 4 GLU HG2 H -19.632 -0.176 2.303 1.00 . A A . 3 GLU HG2 1 1
14 7046 1 1 4 GLU HG3 H -19.138 0.842 3.664 1.00 . A A . 3 GLU HG3 1 1
14 7047 1 1 4 GLU N N -19.048 1.235 0.071 1.00 . A A . 3 GLU N 1 1
14 7048 1 1 4 GLU O O -17.522 3.610 2.239 1.00 . A A . 3 GLU O 1 1
14 7049 1 1 4 GLU OE1 O -22.062 -0.424 3.104 1.00 . A A . 3 GLU OE1 1 1
14 7050 1 1 4 GLU OE2 O -21.265 0.583 4.897 1.00 . A A . 3 GLU OE2 1 1
14 7051 1 1 5 PHE C C -14.517 1.303 1.830 1.00 . A A . 4 PHE C 1 1
14 7052 1 1 5 PHE CA C -15.698 1.503 2.784 1.00 . A A . 4 PHE CA 1 1
14 7053 1 1 5 PHE CB C -15.665 0.433 3.867 1.00 . A A . 4 PHE CB 1 1
14 7054 1 1 5 PHE CD1 C -16.634 -1.671 2.864 1.00 . A A . 4 PHE CD1 1 1
14 7055 1 1 5 PHE CD2 C -14.235 -1.547 3.218 1.00 . A A . 4 PHE CD2 1 1
14 7056 1 1 5 PHE CE1 C -16.495 -2.985 2.392 1.00 . A A . 4 PHE CE1 1 1
14 7057 1 1 5 PHE CE2 C -14.089 -2.856 2.730 1.00 . A A . 4 PHE CE2 1 1
14 7058 1 1 5 PHE CG C -15.510 -0.963 3.307 1.00 . A A . 4 PHE CG 1 1
14 7059 1 1 5 PHE CZ C -15.224 -3.581 2.333 1.00 . A A . 4 PHE CZ 1 1
14 7060 1 1 5 PHE H H -17.286 0.515 1.789 1.00 . A A . 4 PHE H 1 1
14 7061 1 1 5 PHE HA H -15.594 2.473 3.264 1.00 . A A . 4 PHE HA 1 1
14 7062 1 1 5 PHE HB2 H -14.826 0.644 4.531 1.00 . A A . 4 PHE HB2 1 1
14 7063 1 1 5 PHE HB3 H -16.578 0.491 4.461 1.00 . A A . 4 PHE HB3 1 1
14 7064 1 1 5 PHE HD1 H -17.602 -1.197 2.896 1.00 . A A . 4 PHE HD1 1 1
14 7065 1 1 5 PHE HD2 H -13.374 -0.974 3.525 1.00 . A A . 4 PHE HD2 1 1
14 7066 1 1 5 PHE HE1 H -17.365 -3.542 2.085 1.00 . A A . 4 PHE HE1 1 1
14 7067 1 1 5 PHE HE2 H -13.109 -3.306 2.668 1.00 . A A . 4 PHE HE2 1 1
14 7068 1 1 5 PHE HZ H -15.124 -4.594 1.980 1.00 . A A . 4 PHE HZ 1 1
14 7069 1 1 5 PHE N N -16.986 1.427 2.099 1.00 . A A . 4 PHE N 1 1
14 7070 1 1 5 PHE O O -13.379 1.549 2.231 1.00 . A A . 4 PHE O 1 1
14 7071 1 1 6 ARG C C -13.681 2.294 -1.028 1.00 . A A . 5 ARG C 1 1
14 7072 1 1 6 ARG CA C -13.863 0.856 -0.532 1.00 . A A . 5 ARG CA 1 1
14 7073 1 1 6 ARG CB C -14.386 -0.086 -1.628 1.00 . A A . 5 ARG CB 1 1
14 7074 1 1 6 ARG CD C -12.931 -2.094 -0.897 1.00 . A A . 5 ARG CD 1 1
14 7075 1 1 6 ARG CG C -14.328 -1.580 -1.263 1.00 . A A . 5 ARG CG 1 1
14 7076 1 1 6 ARG CZ C -11.652 -2.234 -3.052 1.00 . A A . 5 ARG CZ 1 1
14 7077 1 1 6 ARG H H -15.757 0.675 0.361 1.00 . A A . 5 ARG H 1 1
14 7078 1 1 6 ARG HA H -12.903 0.488 -0.187 1.00 . A A . 5 ARG HA 1 1
14 7079 1 1 6 ARG HB2 H -15.416 0.182 -1.850 1.00 . A A . 5 ARG HB2 1 1
14 7080 1 1 6 ARG HB3 H -13.806 0.067 -2.539 1.00 . A A . 5 ARG HB3 1 1
14 7081 1 1 6 ARG HD2 H -12.663 -1.711 0.081 1.00 . A A . 5 ARG HD2 1 1
14 7082 1 1 6 ARG HD3 H -12.953 -3.182 -0.826 1.00 . A A . 5 ARG HD3 1 1
14 7083 1 1 6 ARG HE H -11.351 -0.867 -1.602 1.00 . A A . 5 ARG HE 1 1
14 7084 1 1 6 ARG HG2 H -14.997 -1.769 -0.424 1.00 . A A . 5 ARG HG2 1 1
14 7085 1 1 6 ARG HG3 H -14.684 -2.154 -2.117 1.00 . A A . 5 ARG HG3 1 1
14 7086 1 1 6 ARG HH11 H -13.071 -3.686 -2.904 1.00 . A A . 5 ARG HH11 1 1
14 7087 1 1 6 ARG HH12 H -12.130 -3.704 -4.378 1.00 . A A . 5 ARG HH12 1 1
14 7088 1 1 6 ARG HH21 H -10.171 -0.919 -3.527 1.00 . A A . 5 ARG HH21 1 1
14 7089 1 1 6 ARG HH22 H -10.509 -2.143 -4.733 1.00 . A A . 5 ARG HH22 1 1
14 7090 1 1 6 ARG N N -14.792 0.872 0.588 1.00 . A A . 5 ARG N 1 1
14 7091 1 1 6 ARG NE N -11.899 -1.675 -1.859 1.00 . A A . 5 ARG NE 1 1
14 7092 1 1 6 ARG NH1 N -12.345 -3.289 -3.483 1.00 . A A . 5 ARG NH1 1 1
14 7093 1 1 6 ARG NH2 N -10.696 -1.726 -3.832 1.00 . A A . 5 ARG NH2 1 1
14 7094 1 1 6 ARG O O -14.062 2.639 -2.143 1.00 . A A . 5 ARG O 1 1
14 7095 1 1 7 ARG C C -11.715 5.030 -0.689 1.00 . A A . 6 ARG C 1 1
14 7096 1 1 7 ARG CA C -13.110 4.588 -0.307 1.00 . A A . 6 ARG CA 1 1
14 7097 1 1 7 ARG CB C -13.555 5.253 0.997 1.00 . A A . 6 ARG CB 1 1
14 7098 1 1 7 ARG CD C -15.993 5.677 0.327 1.00 . A A . 6 ARG CD 1 1
14 7099 1 1 7 ARG CG C -15.030 5.004 1.312 1.00 . A A . 6 ARG CG 1 1
14 7100 1 1 7 ARG CZ C -16.221 4.930 -2.074 1.00 . A A . 6 ARG CZ 1 1
14 7101 1 1 7 ARG H H -12.875 2.801 0.749 1.00 . A A . 6 ARG H 1 1
14 7102 1 1 7 ARG HA H -13.779 4.882 -1.103 1.00 . A A . 6 ARG HA 1 1
14 7103 1 1 7 ARG HB2 H -12.973 4.835 1.812 1.00 . A A . 6 ARG HB2 1 1
14 7104 1 1 7 ARG HB3 H -13.373 6.329 0.950 1.00 . A A . 6 ARG HB3 1 1
14 7105 1 1 7 ARG HD2 H -16.887 5.970 0.874 1.00 . A A . 6 ARG HD2 1 1
14 7106 1 1 7 ARG HD3 H -15.532 6.577 -0.072 1.00 . A A . 6 ARG HD3 1 1
14 7107 1 1 7 ARG HE H -16.903 3.939 -0.456 1.00 . A A . 6 ARG HE 1 1
14 7108 1 1 7 ARG HG2 H -15.207 3.931 1.333 1.00 . A A . 6 ARG HG2 1 1
14 7109 1 1 7 ARG HG3 H -15.234 5.389 2.308 1.00 . A A . 6 ARG HG3 1 1
14 7110 1 1 7 ARG HH11 H -15.214 6.699 -1.987 1.00 . A A . 6 ARG HH11 1 1
14 7111 1 1 7 ARG HH12 H -15.451 6.043 -3.592 1.00 . A A . 6 ARG HH12 1 1
14 7112 1 1 7 ARG HH21 H -17.179 3.204 -2.545 1.00 . A A . 6 ARG HH21 1 1
14 7113 1 1 7 ARG HH22 H -16.575 4.118 -3.908 1.00 . A A . 6 ARG HH22 1 1
14 7114 1 1 7 ARG N N -13.156 3.152 -0.151 1.00 . A A . 6 ARG N 1 1
14 7115 1 1 7 ARG NE N -16.410 4.772 -0.753 1.00 . A A . 6 ARG NE 1 1
14 7116 1 1 7 ARG NH1 N -15.572 5.974 -2.591 1.00 . A A . 6 ARG NH1 1 1
14 7117 1 1 7 ARG NH2 N -16.689 4.007 -2.911 1.00 . A A . 6 ARG NH2 1 1
14 7118 1 1 7 ARG O O -10.729 4.407 -0.311 1.00 . A A . 6 ARG O 1 1
14 7119 1 1 8 ASP C C -9.856 7.781 -1.045 1.00 . A A . 7 ASP C 1 1
14 7120 1 1 8 ASP CA C -10.434 6.696 -1.953 1.00 . A A . 7 ASP CA 1 1
14 7121 1 1 8 ASP CB C -10.730 7.264 -3.335 1.00 . A A . 7 ASP CB 1 1
14 7122 1 1 8 ASP CG C -9.419 7.399 -4.079 1.00 . A A . 7 ASP CG 1 1
14 7123 1 1 8 ASP H H -12.524 6.574 -1.712 1.00 . A A . 7 ASP H 1 1
14 7124 1 1 8 ASP HA H -9.696 5.901 -2.057 1.00 . A A . 7 ASP HA 1 1
14 7125 1 1 8 ASP HB2 H -11.366 6.566 -3.881 1.00 . A A . 7 ASP HB2 1 1
14 7126 1 1 8 ASP HB3 H -11.240 8.225 -3.260 1.00 . A A . 7 ASP HB3 1 1
14 7127 1 1 8 ASP N N -11.660 6.126 -1.441 1.00 . A A . 7 ASP N 1 1
14 7128 1 1 8 ASP O O -8.658 8.043 -1.104 1.00 . A A . 7 ASP O 1 1
14 7129 1 1 8 ASP OD1 O -8.993 6.366 -4.620 1.00 . A A . 7 ASP OD1 1 1
14 7130 1 1 8 ASP OD2 O -8.837 8.503 -4.060 1.00 . A A . 7 ASP OD2 1 1
14 7131 1 1 9 SER C C -9.361 9.048 1.831 1.00 . A A . 8 SER C 1 1
14 7132 1 1 9 SER CA C -10.262 9.496 0.668 1.00 . A A . 8 SER CA 1 1
14 7133 1 1 9 SER CB C -11.486 10.255 1.179 1.00 . A A . 8 SER CB 1 1
14 7134 1 1 9 SER H H -11.667 8.191 -0.221 1.00 . A A . 8 SER H 1 1
14 7135 1 1 9 SER HA H -9.682 10.185 0.058 1.00 . A A . 8 SER HA 1 1
14 7136 1 1 9 SER HB2 H -12.112 9.594 1.776 1.00 . A A . 8 SER HB2 1 1
14 7137 1 1 9 SER HB3 H -11.147 11.082 1.794 1.00 . A A . 8 SER HB3 1 1
14 7138 1 1 9 SER HG H -12.905 11.365 0.452 1.00 . A A . 8 SER HG 1 1
14 7139 1 1 9 SER N N -10.683 8.408 -0.201 1.00 . A A . 8 SER N 1 1
14 7140 1 1 9 SER O O -8.972 9.884 2.637 1.00 . A A . 8 SER O 1 1
14 7141 1 1 9 SER OG O -12.226 10.782 0.103 1.00 . A A . 8 SER OG 1 1
14 7142 1 1 10 GLY C C -6.698 7.236 1.673 1.00 . A A . 9 GLY C 1 1
14 7143 1 1 10 GLY CA C -7.845 7.312 2.678 1.00 . A A . 9 GLY CA 1 1
14 7144 1 1 10 GLY H H -9.279 7.131 1.177 1.00 . A A . 9 GLY H 1 1
14 7145 1 1 10 GLY HA2 H -7.589 8.009 3.472 1.00 . A A . 9 GLY HA2 1 1
14 7146 1 1 10 GLY HA3 H -8.062 6.341 3.116 1.00 . A A . 9 GLY HA3 1 1
14 7147 1 1 10 GLY N N -8.988 7.764 1.908 1.00 . A A . 9 GLY N 1 1
14 7148 1 1 10 GLY O O -6.228 8.276 1.226 1.00 . A A . 9 GLY O 1 1
14 7149 1 1 11 TYR C C -5.710 3.710 1.075 1.00 . A A . 10 TYR C 1 1
14 7150 1 1 11 TYR CA C -6.615 4.742 1.728 1.00 . A A . 10 TYR CA 1 1
14 7151 1 1 11 TYR CB C -8.065 4.404 1.362 1.00 . A A . 10 TYR CB 1 1
14 7152 1 1 11 TYR CD1 C -8.440 2.912 3.383 1.00 . A A . 10 TYR CD1 1 1
14 7153 1 1 11 TYR CD2 C -10.206 4.416 2.690 1.00 . A A . 10 TYR CD2 1 1
14 7154 1 1 11 TYR CE1 C -9.268 2.386 4.380 1.00 . A A . 10 TYR CE1 1 1
14 7155 1 1 11 TYR CE2 C -11.054 3.860 3.659 1.00 . A A . 10 TYR CE2 1 1
14 7156 1 1 11 TYR CG C -8.909 3.915 2.518 1.00 . A A . 10 TYR CG 1 1
14 7157 1 1 11 TYR CZ C -10.593 2.842 4.516 1.00 . A A . 10 TYR CZ 1 1
14 7158 1 1 11 TYR H H -5.621 6.018 0.472 1.00 . A A . 10 TYR H 1 1
14 7159 1 1 11 TYR HA H -6.485 4.718 2.811 1.00 . A A . 10 TYR HA 1 1
14 7160 1 1 11 TYR HB2 H -8.547 5.266 0.909 1.00 . A A . 10 TYR HB2 1 1
14 7161 1 1 11 TYR HB3 H -8.064 3.640 0.586 1.00 . A A . 10 TYR HB3 1 1
14 7162 1 1 11 TYR HD1 H -7.451 2.516 3.271 1.00 . A A . 10 TYR HD1 1 1
14 7163 1 1 11 TYR HD2 H -10.560 5.211 2.054 1.00 . A A . 10 TYR HD2 1 1
14 7164 1 1 11 TYR HE1 H -8.897 1.613 5.019 1.00 . A A . 10 TYR HE1 1 1
14 7165 1 1 11 TYR HE2 H -12.065 4.203 3.739 1.00 . A A . 10 TYR HE2 1 1
14 7166 1 1 11 TYR HH H -12.286 2.712 5.465 1.00 . A A . 10 TYR HH 1 1
14 7167 1 1 11 TYR N N -6.246 6.050 1.254 1.00 . A A . 10 TYR N 1 1
14 7168 1 1 11 TYR O O -5.418 3.776 -0.118 1.00 . A A . 10 TYR O 1 1
14 7169 1 1 11 TYR OH O -11.416 2.305 5.461 1.00 . A A . 10 TYR OH 1 1
14 7170 1 1 12 GLU C C -6.191 0.465 2.145 1.00 . A A . 11 GLU C 1 1
14 7171 1 1 12 GLU CA C -5.216 1.344 1.363 1.00 . A A . 11 GLU CA 1 1
14 7172 1 1 12 GLU CB C -3.773 0.929 1.591 1.00 . A A . 11 GLU CB 1 1
14 7173 1 1 12 GLU CD C -1.437 0.901 0.772 1.00 . A A . 11 GLU CD 1 1
14 7174 1 1 12 GLU CG C -2.828 1.443 0.501 1.00 . A A . 11 GLU CG 1 1
14 7175 1 1 12 GLU H H -5.626 2.749 2.837 1.00 . A A . 11 GLU H 1 1
14 7176 1 1 12 GLU HA H -5.454 1.294 0.301 1.00 . A A . 11 GLU HA 1 1
14 7177 1 1 12 GLU HB2 H -3.437 1.278 2.569 1.00 . A A . 11 GLU HB2 1 1
14 7178 1 1 12 GLU HB3 H -3.764 -0.151 1.592 1.00 . A A . 11 GLU HB3 1 1
14 7179 1 1 12 GLU HG2 H -3.167 1.101 -0.475 1.00 . A A . 11 GLU HG2 1 1
14 7180 1 1 12 GLU HG3 H -2.802 2.534 0.509 1.00 . A A . 11 GLU HG3 1 1
14 7181 1 1 12 GLU N N -5.405 2.682 1.855 1.00 . A A . 11 GLU N 1 1
14 7182 1 1 12 GLU O O -5.890 0.013 3.253 1.00 . A A . 11 GLU O 1 1
14 7183 1 1 12 GLU OE1 O -0.807 1.393 1.718 1.00 . A A . 11 GLU OE1 1 1
14 7184 1 1 12 GLU OE2 O -1.039 -0.062 0.078 1.00 . A A . 11 GLU OE2 1 1
14 7185 1 1 13 VAL C C -8.117 -1.908 2.436 1.00 . A A . 12 VAL C 1 1
14 7186 1 1 13 VAL CA C -8.485 -0.445 2.208 1.00 . A A . 12 VAL CA 1 1
14 7187 1 1 13 VAL CB C -9.790 -0.341 1.389 1.00 . A A . 12 VAL CB 1 1
14 7188 1 1 13 VAL CG1 C -10.957 -0.952 2.180 1.00 . A A . 12 VAL CG1 1 1
14 7189 1 1 13 VAL CG2 C -10.181 1.098 1.033 1.00 . A A . 12 VAL CG2 1 1
14 7190 1 1 13 VAL H H -7.569 0.682 0.670 1.00 . A A . 12 VAL H 1 1
14 7191 1 1 13 VAL HA H -8.653 0.021 3.171 1.00 . A A . 12 VAL HA 1 1
14 7192 1 1 13 VAL HB H -9.672 -0.889 0.459 1.00 . A A . 12 VAL HB 1 1
14 7193 1 1 13 VAL HG11 H -11.901 -0.678 1.720 1.00 . A A . 12 VAL HG11 1 1
14 7194 1 1 13 VAL HG12 H -10.881 -2.038 2.189 1.00 . A A . 12 VAL HG12 1 1
14 7195 1 1 13 VAL HG13 H -10.953 -0.580 3.205 1.00 . A A . 12 VAL HG13 1 1
14 7196 1 1 13 VAL HG21 H -10.981 1.084 0.304 1.00 . A A . 12 VAL HG21 1 1
14 7197 1 1 13 VAL HG22 H -10.519 1.618 1.924 1.00 . A A . 12 VAL HG22 1 1
14 7198 1 1 13 VAL HG23 H -9.344 1.632 0.592 1.00 . A A . 12 VAL HG23 1 1
14 7199 1 1 13 VAL N N -7.385 0.267 1.571 1.00 . A A . 12 VAL N 1 1
14 7200 1 1 13 VAL O O -8.584 -2.490 3.407 1.00 . A A . 12 VAL O 1 1
14 7201 1 1 14 HIS C C -5.994 -4.107 2.964 1.00 . A A . 13 HIS C 1 1
14 7202 1 1 14 HIS CA C -6.848 -3.874 1.711 1.00 . A A . 13 HIS CA 1 1
14 7203 1 1 14 HIS CB C -6.114 -4.301 0.439 1.00 . A A . 13 HIS CB 1 1
14 7204 1 1 14 HIS CD2 C -4.411 -6.201 0.660 1.00 . A A . 13 HIS CD2 1 1
14 7205 1 1 14 HIS CE1 C -5.701 -7.932 0.309 1.00 . A A . 13 HIS CE1 1 1
14 7206 1 1 14 HIS CG C -5.678 -5.741 0.439 1.00 . A A . 13 HIS CG 1 1
14 7207 1 1 14 HIS H H -6.902 -1.959 0.804 1.00 . A A . 13 HIS H 1 1
14 7208 1 1 14 HIS HA H -7.758 -4.461 1.799 1.00 . A A . 13 HIS HA 1 1
14 7209 1 1 14 HIS HB2 H -6.774 -4.136 -0.412 1.00 . A A . 13 HIS HB2 1 1
14 7210 1 1 14 HIS HB3 H -5.228 -3.681 0.315 1.00 . A A . 13 HIS HB3 1 1
14 7211 1 1 14 HIS HD1 H -7.469 -6.829 0.039 1.00 . A A . 13 HIS HD1 1 1
14 7212 1 1 14 HIS HD2 H -3.542 -5.591 0.860 1.00 . A A . 13 HIS HD2 1 1
14 7213 1 1 14 HIS HE1 H -6.054 -8.946 0.197 1.00 . A A . 13 HIS HE1 1 1
14 7214 1 1 14 HIS N N -7.263 -2.490 1.584 1.00 . A A . 13 HIS N 1 1
14 7215 1 1 14 HIS ND1 N -6.474 -6.839 0.216 1.00 . A A . 13 HIS ND1 1 1
14 7216 1 1 14 HIS NE2 N -4.431 -7.594 0.570 1.00 . A A . 13 HIS NE2 1 1
14 7217 1 1 14 HIS O O -6.109 -5.173 3.563 1.00 . A A . 13 HIS O 1 1
14 7218 1 1 15 HIS C C -5.468 -3.029 5.861 1.00 . A A . 14 HIS C 1 1
14 7219 1 1 15 HIS CA C -4.508 -3.205 4.690 1.00 . A A . 14 HIS CA 1 1
14 7220 1 1 15 HIS CB C -3.398 -2.159 4.803 1.00 . A A . 14 HIS CB 1 1
14 7221 1 1 15 HIS CD2 C -1.547 -1.296 3.292 1.00 . A A . 14 HIS CD2 1 1
14 7222 1 1 15 HIS CE1 C -0.634 -3.165 2.625 1.00 . A A . 14 HIS CE1 1 1
14 7223 1 1 15 HIS CG C -2.268 -2.322 3.826 1.00 . A A . 14 HIS CG 1 1
14 7224 1 1 15 HIS H H -5.134 -2.254 2.889 1.00 . A A . 14 HIS H 1 1
14 7225 1 1 15 HIS HA H -4.061 -4.187 4.788 1.00 . A A . 14 HIS HA 1 1
14 7226 1 1 15 HIS HB2 H -3.828 -1.163 4.688 1.00 . A A . 14 HIS HB2 1 1
14 7227 1 1 15 HIS HB3 H -2.969 -2.219 5.804 1.00 . A A . 14 HIS HB3 1 1
14 7228 1 1 15 HIS HD1 H -1.977 -4.429 3.635 1.00 . A A . 14 HIS HD1 1 1
14 7229 1 1 15 HIS HD2 H -1.724 -0.250 3.490 1.00 . A A . 14 HIS HD2 1 1
14 7230 1 1 15 HIS HE1 H 0.031 -3.869 2.150 1.00 . A A . 14 HIS HE1 1 1
14 7231 1 1 15 HIS N N -5.195 -3.121 3.404 1.00 . A A . 14 HIS N 1 1
14 7232 1 1 15 HIS ND1 N -1.681 -3.491 3.400 1.00 . A A . 14 HIS ND1 1 1
14 7233 1 1 15 HIS NE2 N -0.516 -1.836 2.521 1.00 . A A . 14 HIS NE2 1 1
14 7234 1 1 15 HIS O O -5.249 -3.625 6.907 1.00 . A A . 14 HIS O 1 1
14 7235 1 1 16 GLN C C -8.472 -2.897 7.089 1.00 . A A . 15 GLN C 1 1
14 7236 1 1 16 GLN CA C -7.385 -1.866 6.823 1.00 . A A . 15 GLN CA 1 1
14 7237 1 1 16 GLN CB C -7.999 -0.494 6.542 1.00 . A A . 15 GLN CB 1 1
14 7238 1 1 16 GLN CD C -6.477 0.609 8.223 1.00 . A A . 15 GLN CD 1 1
14 7239 1 1 16 GLN CG C -6.979 0.625 6.784 1.00 . A A . 15 GLN CG 1 1
14 7240 1 1 16 GLN H H -6.661 -1.745 4.837 1.00 . A A . 15 GLN H 1 1
14 7241 1 1 16 GLN HA H -6.781 -1.813 7.724 1.00 . A A . 15 GLN HA 1 1
14 7242 1 1 16 GLN HB2 H -8.357 -0.462 5.513 1.00 . A A . 15 GLN HB2 1 1
14 7243 1 1 16 GLN HB3 H -8.849 -0.351 7.204 1.00 . A A . 15 GLN HB3 1 1
14 7244 1 1 16 GLN HE21 H -8.260 1.269 8.927 1.00 . A A . 15 GLN HE21 1 1
14 7245 1 1 16 GLN HE22 H -7.035 0.949 10.136 1.00 . A A . 15 GLN HE22 1 1
14 7246 1 1 16 GLN HG2 H -6.144 0.506 6.095 1.00 . A A . 15 GLN HG2 1 1
14 7247 1 1 16 GLN HG3 H -7.442 1.592 6.598 1.00 . A A . 15 GLN HG3 1 1
14 7248 1 1 16 GLN N N -6.518 -2.219 5.714 1.00 . A A . 15 GLN N 1 1
14 7249 1 1 16 GLN NE2 N -7.326 0.981 9.170 1.00 . A A . 15 GLN NE2 1 1
14 7250 1 1 16 GLN O O -8.782 -3.147 8.248 1.00 . A A . 15 GLN O 1 1
14 7251 1 1 16 GLN OE1 O -5.354 0.207 8.493 1.00 . A A . 15 GLN OE1 1 1
14 7252 1 1 17 LYS C C -9.943 -5.689 5.370 1.00 . A A . 16 LYS C 1 1
14 7253 1 1 17 LYS CA C -10.213 -4.345 6.067 1.00 . A A . 16 LYS CA 1 1
14 7254 1 1 17 LYS CB C -11.398 -3.612 5.404 1.00 . A A . 16 LYS CB 1 1
14 7255 1 1 17 LYS CD C -12.108 -2.296 7.490 1.00 . A A . 16 LYS CD 1 1
14 7256 1 1 17 LYS CE C -12.510 -0.898 7.930 1.00 . A A . 16 LYS CE 1 1
14 7257 1 1 17 LYS CG C -11.760 -2.247 6.003 1.00 . A A . 16 LYS CG 1 1
14 7258 1 1 17 LYS H H -8.692 -3.238 5.118 1.00 . A A . 16 LYS H 1 1
14 7259 1 1 17 LYS HA H -10.476 -4.556 7.100 1.00 . A A . 16 LYS HA 1 1
14 7260 1 1 17 LYS HB2 H -11.169 -3.447 4.354 1.00 . A A . 16 LYS HB2 1 1
14 7261 1 1 17 LYS HB3 H -12.277 -4.252 5.454 1.00 . A A . 16 LYS HB3 1 1
14 7262 1 1 17 LYS HD2 H -12.930 -2.984 7.672 1.00 . A A . 16 LYS HD2 1 1
14 7263 1 1 17 LYS HD3 H -11.243 -2.614 8.061 1.00 . A A . 16 LYS HD3 1 1
14 7264 1 1 17 LYS HE2 H -11.729 -0.203 7.628 1.00 . A A . 16 LYS HE2 1 1
14 7265 1 1 17 LYS HE3 H -13.433 -0.618 7.428 1.00 . A A . 16 LYS HE3 1 1
14 7266 1 1 17 LYS HG2 H -10.933 -1.552 5.851 1.00 . A A . 16 LYS HG2 1 1
14 7267 1 1 17 LYS HG3 H -12.623 -1.860 5.465 1.00 . A A . 16 LYS HG3 1 1
14 7268 1 1 17 LYS HZ1 H -11.838 -1.091 9.850 1.00 . A A . 16 LYS HZ1 1 1
14 7269 1 1 17 LYS HZ2 H -12.936 0.118 9.654 1.00 . A A . 16 LYS HZ2 1 1
14 7270 1 1 17 LYS HZ3 H -13.432 -1.453 9.667 1.00 . A A . 16 LYS HZ3 1 1
14 7271 1 1 17 LYS N N -9.038 -3.484 6.032 1.00 . A A . 16 LYS N 1 1
14 7272 1 1 17 LYS NZ N -12.694 -0.825 9.386 1.00 . A A . 16 LYS NZ 1 1
14 7273 1 1 17 LYS O O -10.867 -6.472 5.186 1.00 . A A . 16 LYS O 1 1
14 7274 1 1 18 NH2 HN1 H -8.529 -6.850 4.479 1.00 . A A . 17 NH2 HN1 1 1
14 7275 1 1 18 NH2 HN2 H -7.962 -5.306 5.076 1.00 . A A . 17 NH2 HN2 1 1
14 7276 1 1 18 NH2 N N -8.706 -5.977 4.953 1.00 . A A . 17 NH2 N 1 1
14 7277 2 1 1 ACE C C 20.683 6.620 0.800 1.00 . B B . 0 ACE C 1 1
14 7278 2 1 1 ACE CH3 C 22.135 6.955 0.497 1.00 . B B . 0 ACE CH3 1 1
14 7279 2 1 1 ACE H1 H 22.667 7.173 1.422 1.00 . B B . 0 ACE H1 1 1
14 7280 2 1 1 ACE H2 H 22.594 6.104 -0.002 1.00 . B B . 0 ACE H2 1 1
14 7281 2 1 1 ACE H3 H 22.196 7.825 -0.153 1.00 . B B . 0 ACE H3 1 1
14 7282 2 1 1 ACE O O 20.354 6.315 1.942 1.00 . B B . 0 ACE O 1 1
14 7283 2 1 2 ASP C C 18.093 4.986 -0.776 1.00 . B B . 1 ASP C 1 1
14 7284 2 1 2 ASP CA C 18.407 6.322 -0.134 1.00 . B B . 1 ASP CA 1 1
14 7285 2 1 2 ASP CB C 17.573 7.352 -0.881 1.00 . B B . 1 ASP CB 1 1
14 7286 2 1 2 ASP CG C 17.605 8.742 -0.275 1.00 . B B . 1 ASP CG 1 1
14 7287 2 1 2 ASP H H 20.161 6.968 -1.120 1.00 . B B . 1 ASP H 1 1
14 7288 2 1 2 ASP HA H 18.091 6.283 0.910 1.00 . B B . 1 ASP HA 1 1
14 7289 2 1 2 ASP HB2 H 17.938 7.436 -1.916 1.00 . B B . 1 ASP HB2 1 1
14 7290 2 1 2 ASP HB3 H 16.543 7.008 -0.922 1.00 . B B . 1 ASP HB3 1 1
14 7291 2 1 2 ASP N N 19.821 6.672 -0.216 1.00 . B B . 1 ASP N 1 1
14 7292 2 1 2 ASP O O 17.112 4.368 -0.383 1.00 . B B . 1 ASP O 1 1
14 7293 2 1 2 ASP OD1 O 17.553 8.757 1.047 1.00 . B B . 1 ASP OD1 1 1
14 7294 2 1 2 ASP OD2 O 17.678 9.693 -0.958 1.00 . B B . 1 ASP OD2 1 1
14 7295 2 1 3 ALA C C 18.424 2.119 -1.819 1.00 . B B . 2 ALA C 1 1
14 7296 2 1 3 ALA CA C 18.584 3.415 -2.612 1.00 . B B . 2 ALA CA 1 1
14 7297 2 1 3 ALA CB C 19.693 3.245 -3.639 1.00 . B B . 2 ALA CB 1 1
14 7298 2 1 3 ALA H H 19.663 5.149 -2.037 1.00 . B B . 2 ALA H 1 1
14 7299 2 1 3 ALA HA H 17.657 3.609 -3.148 1.00 . B B . 2 ALA HA 1 1
14 7300 2 1 3 ALA HB1 H 19.852 4.176 -4.180 1.00 . B B . 2 ALA HB1 1 1
14 7301 2 1 3 ALA HB2 H 20.611 2.945 -3.138 1.00 . B B . 2 ALA HB2 1 1
14 7302 2 1 3 ALA HB3 H 19.395 2.469 -4.338 1.00 . B B . 2 ALA HB3 1 1
14 7303 2 1 3 ALA N N 18.881 4.570 -1.776 1.00 . B B . 2 ALA N 1 1
14 7304 2 1 3 ALA O O 17.742 1.222 -2.290 1.00 . B B . 2 ALA O 1 1
14 7305 2 1 4 GLU C C 17.464 0.665 0.784 1.00 . B B . 3 GLU C 1 1
14 7306 2 1 4 GLU CA C 18.903 0.955 0.340 1.00 . B B . 3 GLU CA 1 1
14 7307 2 1 4 GLU CB C 19.813 1.264 1.541 1.00 . B B . 3 GLU CB 1 1
14 7308 2 1 4 GLU CD C 20.450 2.894 3.368 1.00 . B B . 3 GLU CD 1 1
14 7309 2 1 4 GLU CG C 19.615 2.677 2.114 1.00 . B B . 3 GLU CG 1 1
14 7310 2 1 4 GLU H H 19.571 2.834 -0.330 1.00 . B B . 3 GLU H 1 1
14 7311 2 1 4 GLU HA H 19.278 0.052 -0.131 1.00 . B B . 3 GLU HA 1 1
14 7312 2 1 4 GLU HB2 H 19.629 0.529 2.324 1.00 . B B . 3 GLU HB2 1 1
14 7313 2 1 4 GLU HB3 H 20.851 1.160 1.225 1.00 . B B . 3 GLU HB3 1 1
14 7314 2 1 4 GLU HG2 H 19.908 3.418 1.370 1.00 . B B . 3 GLU HG2 1 1
14 7315 2 1 4 GLU HG3 H 18.563 2.827 2.353 1.00 . B B . 3 GLU HG3 1 1
14 7316 2 1 4 GLU N N 19.013 2.043 -0.622 1.00 . B B . 3 GLU N 1 1
14 7317 2 1 4 GLU O O 17.186 -0.475 1.146 1.00 . B B . 3 GLU O 1 1
14 7318 2 1 4 GLU OE1 O 21.689 2.871 3.257 1.00 . B B . 3 GLU OE1 1 1
14 7319 2 1 4 GLU OE2 O 19.851 3.081 4.442 1.00 . B B . 3 GLU OE2 1 1
14 7320 2 1 5 PHE C C 14.263 1.898 -0.235 1.00 . B B . 4 PHE C 1 1
14 7321 2 1 5 PHE CA C 15.119 1.455 0.956 1.00 . B B . 4 PHE CA 1 1
14 7322 2 1 5 PHE CB C 14.716 2.208 2.217 1.00 . B B . 4 PHE CB 1 1
14 7323 2 1 5 PHE CD1 C 13.373 4.272 1.677 1.00 . B B . 4 PHE CD1 1 1
14 7324 2 1 5 PHE CD2 C 15.707 4.525 2.304 1.00 . B B . 4 PHE CD2 1 1
14 7325 2 1 5 PHE CE1 C 13.240 5.669 1.607 1.00 . B B . 4 PHE CE1 1 1
14 7326 2 1 5 PHE CE2 C 15.580 5.921 2.214 1.00 . B B . 4 PHE CE2 1 1
14 7327 2 1 5 PHE CG C 14.600 3.704 2.056 1.00 . B B . 4 PHE CG 1 1
14 7328 2 1 5 PHE CZ C 14.345 6.496 1.875 1.00 . B B . 4 PHE CZ 1 1
14 7329 2 1 5 PHE H H 16.850 2.573 0.471 1.00 . B B . 4 PHE H 1 1
14 7330 2 1 5 PHE HA H 14.917 0.403 1.123 1.00 . B B . 4 PHE HA 1 1
14 7331 2 1 5 PHE HB2 H 13.749 1.829 2.524 1.00 . B B . 4 PHE HB2 1 1
14 7332 2 1 5 PHE HB3 H 15.427 1.981 3.014 1.00 . B B . 4 PHE HB3 1 1
14 7333 2 1 5 PHE HD1 H 12.544 3.625 1.435 1.00 . B B . 4 PHE HD1 1 1
14 7334 2 1 5 PHE HD2 H 16.652 4.066 2.550 1.00 . B B . 4 PHE HD2 1 1
14 7335 2 1 5 PHE HE1 H 12.288 6.103 1.345 1.00 . B B . 4 PHE HE1 1 1
14 7336 2 1 5 PHE HE2 H 16.427 6.555 2.410 1.00 . B B . 4 PHE HE2 1 1
14 7337 2 1 5 PHE HZ H 14.249 7.569 1.821 1.00 . B B . 4 PHE HZ 1 1
14 7338 2 1 5 PHE N N 16.550 1.643 0.723 1.00 . B B . 4 PHE N 1 1
14 7339 2 1 5 PHE O O 13.147 1.405 -0.391 1.00 . B B . 4 PHE O 1 1
14 7340 2 1 6 ARG C C 15.030 1.966 -3.362 1.00 . B B . 5 ARG C 1 1
14 7341 2 1 6 ARG CA C 14.374 3.022 -2.458 1.00 . B B . 5 ARG CA 1 1
14 7342 2 1 6 ARG CB C 14.684 4.472 -2.858 1.00 . B B . 5 ARG CB 1 1
14 7343 2 1 6 ARG CD C 12.552 5.340 -1.668 1.00 . B B . 5 ARG CD 1 1
14 7344 2 1 6 ARG CG C 14.053 5.519 -1.924 1.00 . B B . 5 ARG CG 1 1
14 7345 2 1 6 ARG CZ C 10.547 6.079 -2.965 1.00 . B B . 5 ARG CZ 1 1
14 7346 2 1 6 ARG H H 15.706 3.169 -0.848 1.00 . B B . 5 ARG H 1 1
14 7347 2 1 6 ARG HA H 13.295 2.892 -2.521 1.00 . B B . 5 ARG HA 1 1
14 7348 2 1 6 ARG HB2 H 15.761 4.617 -2.846 1.00 . B B . 5 ARG HB2 1 1
14 7349 2 1 6 ARG HB3 H 14.323 4.641 -3.872 1.00 . B B . 5 ARG HB3 1 1
14 7350 2 1 6 ARG HD2 H 12.356 4.358 -1.237 1.00 . B B . 5 ARG HD2 1 1
14 7351 2 1 6 ARG HD3 H 12.247 6.091 -0.942 1.00 . B B . 5 ARG HD3 1 1
14 7352 2 1 6 ARG HE H 12.136 5.080 -3.728 1.00 . B B . 5 ARG HE 1 1
14 7353 2 1 6 ARG HG2 H 14.565 5.481 -0.963 1.00 . B B . 5 ARG HG2 1 1
14 7354 2 1 6 ARG HG3 H 14.223 6.508 -2.343 1.00 . B B . 5 ARG HG3 1 1
14 7355 2 1 6 ARG HH11 H 10.365 6.463 -0.974 1.00 . B B . 5 ARG HH11 1 1
14 7356 2 1 6 ARG HH12 H 9.024 6.991 -1.962 1.00 . B B . 5 ARG HH12 1 1
14 7357 2 1 6 ARG HH21 H 10.362 5.812 -4.977 1.00 . B B . 5 ARG HH21 1 1
14 7358 2 1 6 ARG HH22 H 9.016 6.606 -4.192 1.00 . B B . 5 ARG HH22 1 1
14 7359 2 1 6 ARG N N 14.812 2.773 -1.092 1.00 . B B . 5 ARG N 1 1
14 7360 2 1 6 ARG NE N 11.753 5.494 -2.890 1.00 . B B . 5 ARG NE 1 1
14 7361 2 1 6 ARG NH1 N 9.940 6.574 -1.884 1.00 . B B . 5 ARG NH1 1 1
14 7362 2 1 6 ARG NH2 N 9.925 6.170 -4.139 1.00 . B B . 5 ARG NH2 1 1
14 7363 2 1 6 ARG O O 15.652 2.275 -4.378 1.00 . B B . 5 ARG O 1 1
14 7364 2 1 7 ARG C C 14.627 -0.688 -4.944 1.00 . B B . 6 ARG C 1 1
14 7365 2 1 7 ARG CA C 15.236 -0.560 -3.543 1.00 . B B . 6 ARG CA 1 1
14 7366 2 1 7 ARG CB C 14.673 -1.638 -2.602 1.00 . B B . 6 ARG CB 1 1
14 7367 2 1 7 ARG CD C 16.748 -2.466 -1.299 1.00 . B B . 6 ARG CD 1 1
14 7368 2 1 7 ARG CG C 15.372 -1.794 -1.241 1.00 . B B . 6 ARG CG 1 1
14 7369 2 1 7 ARG CZ C 18.973 -1.913 -2.292 1.00 . B B . 6 ARG CZ 1 1
14 7370 2 1 7 ARG H H 14.400 0.605 -2.048 1.00 . B B . 6 ARG H 1 1
14 7371 2 1 7 ARG HA H 16.313 -0.653 -3.618 1.00 . B B . 6 ARG HA 1 1
14 7372 2 1 7 ARG HB2 H 13.644 -1.352 -2.388 1.00 . B B . 6 ARG HB2 1 1
14 7373 2 1 7 ARG HB3 H 14.658 -2.602 -3.102 1.00 . B B . 6 ARG HB3 1 1
14 7374 2 1 7 ARG HD2 H 17.039 -2.772 -0.295 1.00 . B B . 6 ARG HD2 1 1
14 7375 2 1 7 ARG HD3 H 16.692 -3.351 -1.929 1.00 . B B . 6 ARG HD3 1 1
14 7376 2 1 7 ARG HE H 17.511 -0.593 -1.889 1.00 . B B . 6 ARG HE 1 1
14 7377 2 1 7 ARG HG2 H 15.439 -0.819 -0.764 1.00 . B B . 6 ARG HG2 1 1
14 7378 2 1 7 ARG HG3 H 14.742 -2.415 -0.607 1.00 . B B . 6 ARG HG3 1 1
14 7379 2 1 7 ARG HH11 H 18.859 -3.875 -1.755 1.00 . B B . 6 ARG HH11 1 1
14 7380 2 1 7 ARG HH12 H 20.341 -3.396 -2.553 1.00 . B B . 6 ARG HH12 1 1
14 7381 2 1 7 ARG HH21 H 19.371 -0.038 -2.979 1.00 . B B . 6 ARG HH21 1 1
14 7382 2 1 7 ARG HH22 H 20.631 -1.219 -3.249 1.00 . B B . 6 ARG HH22 1 1
14 7383 2 1 7 ARG N N 14.891 0.708 -2.921 1.00 . B B . 6 ARG N 1 1
14 7384 2 1 7 ARG NE N 17.769 -1.566 -1.826 1.00 . B B . 6 ARG NE 1 1
14 7385 2 1 7 ARG NH1 N 19.427 -3.163 -2.189 1.00 . B B . 6 ARG NH1 1 1
14 7386 2 1 7 ARG NH2 N 19.724 -0.979 -2.878 1.00 . B B . 6 ARG NH2 1 1
14 7387 2 1 7 ARG O O 13.829 0.155 -5.339 1.00 . B B . 6 ARG O 1 1
14 7388 2 1 8 ASP C C 13.242 -3.140 -6.756 1.00 . B B . 7 ASP C 1 1
14 7389 2 1 8 ASP CA C 14.316 -2.066 -6.962 1.00 . B B . 7 ASP CA 1 1
14 7390 2 1 8 ASP CB C 15.356 -2.480 -8.014 1.00 . B B . 7 ASP CB 1 1
14 7391 2 1 8 ASP CG C 15.965 -3.859 -7.788 1.00 . B B . 7 ASP CG 1 1
14 7392 2 1 8 ASP H H 15.653 -2.401 -5.335 1.00 . B B . 7 ASP H 1 1
14 7393 2 1 8 ASP HA H 13.823 -1.175 -7.350 1.00 . B B . 7 ASP HA 1 1
14 7394 2 1 8 ASP HB2 H 14.877 -2.471 -8.989 1.00 . B B . 7 ASP HB2 1 1
14 7395 2 1 8 ASP HB3 H 16.158 -1.743 -8.026 1.00 . B B . 7 ASP HB3 1 1
14 7396 2 1 8 ASP N N 14.977 -1.741 -5.695 1.00 . B B . 7 ASP N 1 1
14 7397 2 1 8 ASP O O 12.176 -3.071 -7.360 1.00 . B B . 7 ASP O 1 1
14 7398 2 1 8 ASP OD1 O 16.983 -3.930 -7.079 1.00 . B B . 7 ASP OD1 1 1
14 7399 2 1 8 ASP OD2 O 15.416 -4.839 -8.331 1.00 . B B . 7 ASP OD2 1 1
14 7400 2 1 9 SER C C 12.306 -5.108 -4.010 1.00 . B B . 8 SER C 1 1
14 7401 2 1 9 SER CA C 12.637 -5.198 -5.500 1.00 . B B . 8 SER CA 1 1
14 7402 2 1 9 SER CB C 13.333 -6.528 -5.794 1.00 . B B . 8 SER CB 1 1
14 7403 2 1 9 SER H H 14.424 -4.097 -5.445 1.00 . B B . 8 SER H 1 1
14 7404 2 1 9 SER HA H 11.726 -5.142 -6.082 1.00 . B B . 8 SER HA 1 1
14 7405 2 1 9 SER HB2 H 14.259 -6.583 -5.227 1.00 . B B . 8 SER HB2 1 1
14 7406 2 1 9 SER HB3 H 12.680 -7.346 -5.499 1.00 . B B . 8 SER HB3 1 1
14 7407 2 1 9 SER HG H 14.201 -5.918 -7.424 1.00 . B B . 8 SER HG 1 1
14 7408 2 1 9 SER N N 13.516 -4.105 -5.875 1.00 . B B . 8 SER N 1 1
14 7409 2 1 9 SER O O 13.144 -4.687 -3.219 1.00 . B B . 8 SER O 1 1
14 7410 2 1 9 SER OG O 13.639 -6.656 -7.162 1.00 . B B . 8 SER OG 1 1
14 7411 2 1 10 GLY C C 9.262 -6.211 -2.244 1.00 . B B . 9 GLY C 1 1
14 7412 2 1 10 GLY CA C 10.614 -5.502 -2.257 1.00 . B B . 9 GLY CA 1 1
14 7413 2 1 10 GLY H H 10.424 -5.836 -4.307 1.00 . B B . 9 GLY H 1 1
14 7414 2 1 10 GLY HA2 H 11.323 -5.994 -1.593 1.00 . B B . 9 GLY HA2 1 1
14 7415 2 1 10 GLY HA3 H 10.528 -4.470 -1.934 1.00 . B B . 9 GLY HA3 1 1
14 7416 2 1 10 GLY N N 11.097 -5.522 -3.621 1.00 . B B . 9 GLY N 1 1
14 7417 2 1 10 GLY O O 9.179 -7.355 -2.671 1.00 . B B . 9 GLY O 1 1
14 7418 2 1 11 TYR C C 6.639 -3.873 -0.981 1.00 . B B . 10 TYR C 1 1
14 7419 2 1 11 TYR CA C 8.033 -4.174 -1.512 1.00 . B B . 10 TYR CA 1 1
14 7420 2 1 11 TYR CB C 8.201 -3.351 -2.801 1.00 . B B . 10 TYR CB 1 1
14 7421 2 1 11 TYR CD1 C 9.463 -1.443 -1.717 1.00 . B B . 10 TYR CD1 1 1
14 7422 2 1 11 TYR CD2 C 10.070 -2.176 -3.959 1.00 . B B . 10 TYR CD2 1 1
14 7423 2 1 11 TYR CE1 C 10.396 -0.402 -1.796 1.00 . B B . 10 TYR CE1 1 1
14 7424 2 1 11 TYR CE2 C 11.010 -1.144 -4.042 1.00 . B B . 10 TYR CE2 1 1
14 7425 2 1 11 TYR CG C 9.283 -2.311 -2.808 1.00 . B B . 10 TYR CG 1 1
14 7426 2 1 11 TYR CZ C 11.147 -0.228 -2.978 1.00 . B B . 10 TYR CZ 1 1
14 7427 2 1 11 TYR H H 7.296 -6.054 -1.967 1.00 . B B . 10 TYR H 1 1
14 7428 2 1 11 TYR HA H 8.780 -3.886 -0.772 1.00 . B B . 10 TYR HA 1 1
14 7429 2 1 11 TYR HB2 H 8.352 -4.012 -3.651 1.00 . B B . 10 TYR HB2 1 1
14 7430 2 1 11 TYR HB3 H 7.277 -2.820 -3.001 1.00 . B B . 10 TYR HB3 1 1
14 7431 2 1 11 TYR HD1 H 8.874 -1.554 -0.822 1.00 . B B . 10 TYR HD1 1 1
14 7432 2 1 11 TYR HD2 H 9.930 -2.847 -4.791 1.00 . B B . 10 TYR HD2 1 1
14 7433 2 1 11 TYR HE1 H 10.508 0.275 -0.967 1.00 . B B . 10 TYR HE1 1 1
14 7434 2 1 11 TYR HE2 H 11.593 -1.043 -4.937 1.00 . B B . 10 TYR HE2 1 1
14 7435 2 1 11 TYR HH H 12.364 0.905 -3.982 1.00 . B B . 10 TYR HH 1 1
14 7436 2 1 11 TYR N N 8.166 -5.582 -1.818 1.00 . B B . 10 TYR N 1 1
14 7437 2 1 11 TYR O O 5.654 -4.481 -1.392 1.00 . B B . 10 TYR O 1 1
14 7438 2 1 11 TYR OH O 11.944 0.861 -3.118 1.00 . B B . 10 TYR OH 1 1
14 7439 2 1 12 GLU C C 6.442 -0.381 -0.554 1.00 . B B . 11 GLU C 1 1
14 7440 2 1 12 GLU CA C 5.701 -1.698 -0.772 1.00 . B B . 11 GLU CA 1 1
14 7441 2 1 12 GLU CB C 4.364 -1.720 -0.057 1.00 . B B . 11 GLU CB 1 1
14 7442 2 1 12 GLU CD C 2.079 -0.665 0.003 1.00 . B B . 11 GLU CD 1 1
14 7443 2 1 12 GLU CG C 3.333 -0.894 -0.829 1.00 . B B . 11 GLU CG 1 1
14 7444 2 1 12 GLU H H 7.389 -2.404 0.163 1.00 . B B . 11 GLU H 1 1
14 7445 2 1 12 GLU HA H 5.531 -1.860 -1.835 1.00 . B B . 11 GLU HA 1 1
14 7446 2 1 12 GLU HB2 H 4.017 -2.749 0.034 1.00 . B B . 11 GLU HB2 1 1
14 7447 2 1 12 GLU HB3 H 4.526 -1.306 0.930 1.00 . B B . 11 GLU HB3 1 1
14 7448 2 1 12 GLU HG2 H 3.768 0.070 -1.089 1.00 . B B . 11 GLU HG2 1 1
14 7449 2 1 12 GLU HG3 H 3.073 -1.413 -1.750 1.00 . B B . 11 GLU HG3 1 1
14 7450 2 1 12 GLU N N 6.550 -2.752 -0.273 1.00 . B B . 11 GLU N 1 1
14 7451 2 1 12 GLU O O 6.812 -0.050 0.573 1.00 . B B . 11 GLU O 1 1
14 7452 2 1 12 GLU OE1 O 1.491 -1.655 0.477 1.00 . B B . 11 GLU OE1 1 1
14 7453 2 1 12 GLU OE2 O 1.726 0.513 0.193 1.00 . B B . 11 GLU OE2 1 1
14 7454 2 1 13 VAL C C 6.908 2.610 -0.712 1.00 . B B . 12 VAL C 1 1
14 7455 2 1 13 VAL CA C 7.453 1.575 -1.695 1.00 . B B . 12 VAL CA 1 1
14 7456 2 1 13 VAL CB C 7.467 2.140 -3.133 1.00 . B B . 12 VAL CB 1 1
14 7457 2 1 13 VAL CG1 C 8.248 3.464 -3.184 1.00 . B B . 12 VAL CG1 1 1
14 7458 2 1 13 VAL CG2 C 8.104 1.166 -4.137 1.00 . B B . 12 VAL CG2 1 1
14 7459 2 1 13 VAL H H 6.323 0.006 -2.538 1.00 . B B . 12 VAL H 1 1
14 7460 2 1 13 VAL HA H 8.470 1.326 -1.409 1.00 . B B . 12 VAL HA 1 1
14 7461 2 1 13 VAL HB H 6.437 2.327 -3.446 1.00 . B B . 12 VAL HB 1 1
14 7462 2 1 13 VAL HG11 H 7.695 4.250 -2.669 1.00 . B B . 12 VAL HG11 1 1
14 7463 2 1 13 VAL HG12 H 9.224 3.339 -2.714 1.00 . B B . 12 VAL HG12 1 1
14 7464 2 1 13 VAL HG13 H 8.397 3.774 -4.215 1.00 . B B . 12 VAL HG13 1 1
14 7465 2 1 13 VAL HG21 H 9.181 1.155 -3.998 1.00 . B B . 12 VAL HG21 1 1
14 7466 2 1 13 VAL HG22 H 7.713 0.158 -4.019 1.00 . B B . 12 VAL HG22 1 1
14 7467 2 1 13 VAL HG23 H 7.896 1.491 -5.153 1.00 . B B . 12 VAL HG23 1 1
14 7468 2 1 13 VAL N N 6.659 0.352 -1.652 1.00 . B B . 12 VAL N 1 1
14 7469 2 1 13 VAL O O 7.684 3.327 -0.083 1.00 . B B . 12 VAL O 1 1
14 7470 2 1 14 HIS C C 5.139 3.664 1.666 1.00 . B B . 13 HIS C 1 1
14 7471 2 1 14 HIS CA C 4.903 3.729 0.156 1.00 . B B . 13 HIS CA 1 1
14 7472 2 1 14 HIS CB C 3.395 3.657 -0.108 1.00 . B B . 13 HIS CB 1 1
14 7473 2 1 14 HIS CD2 C 3.491 3.998 -2.650 1.00 . B B . 13 HIS CD2 1 1
14 7474 2 1 14 HIS CE1 C 2.262 2.297 -3.285 1.00 . B B . 13 HIS CE1 1 1
14 7475 2 1 14 HIS CG C 3.027 3.363 -1.532 1.00 . B B . 13 HIS CG 1 1
14 7476 2 1 14 HIS H H 5.004 2.029 -1.097 1.00 . B B . 13 HIS H 1 1
14 7477 2 1 14 HIS HA H 5.296 4.669 -0.229 1.00 . B B . 13 HIS HA 1 1
14 7478 2 1 14 HIS HB2 H 2.971 2.876 0.522 1.00 . B B . 13 HIS HB2 1 1
14 7479 2 1 14 HIS HB3 H 2.934 4.599 0.180 1.00 . B B . 13 HIS HB3 1 1
14 7480 2 1 14 HIS HD1 H 1.771 1.656 -1.351 1.00 . B B . 13 HIS HD1 1 1
14 7481 2 1 14 HIS HD2 H 4.167 4.841 -2.671 1.00 . B B . 13 HIS HD2 1 1
14 7482 2 1 14 HIS HE1 H 1.748 1.565 -3.890 1.00 . B B . 13 HIS HE1 1 1
14 7483 2 1 14 HIS N N 5.580 2.669 -0.570 1.00 . B B . 13 HIS N 1 1
14 7484 2 1 14 HIS ND1 N 2.245 2.317 -1.950 1.00 . B B . 13 HIS ND1 1 1
14 7485 2 1 14 HIS NE2 N 2.991 3.318 -3.761 1.00 . B B . 13 HIS NE2 1 1
14 7486 2 1 14 HIS O O 4.910 4.665 2.332 1.00 . B B . 13 HIS O 1 1
14 7487 2 1 15 HIS C C 7.215 2.357 4.081 1.00 . B B . 14 HIS C 1 1
14 7488 2 1 15 HIS CA C 5.756 2.318 3.642 1.00 . B B . 14 HIS CA 1 1
14 7489 2 1 15 HIS CB C 5.106 0.995 4.053 1.00 . B B . 14 HIS CB 1 1
14 7490 2 1 15 HIS CD2 C 2.890 0.237 3.053 1.00 . B B . 14 HIS CD2 1 1
14 7491 2 1 15 HIS CE1 C 1.550 1.730 3.904 1.00 . B B . 14 HIS CE1 1 1
14 7492 2 1 15 HIS CG C 3.624 1.040 3.870 1.00 . B B . 14 HIS CG 1 1
14 7493 2 1 15 HIS H H 5.733 1.721 1.606 1.00 . B B . 14 HIS H 1 1
14 7494 2 1 15 HIS HA H 5.250 3.116 4.188 1.00 . B B . 14 HIS HA 1 1
14 7495 2 1 15 HIS HB2 H 5.516 0.193 3.444 1.00 . B B . 14 HIS HB2 1 1
14 7496 2 1 15 HIS HB3 H 5.309 0.782 5.103 1.00 . B B . 14 HIS HB3 1 1
14 7497 2 1 15 HIS HD1 H 3.013 2.715 5.036 1.00 . B B . 14 HIS HD1 1 1
14 7498 2 1 15 HIS HD2 H 3.273 -0.579 2.471 1.00 . B B . 14 HIS HD2 1 1
14 7499 2 1 15 HIS HE1 H 0.679 2.319 4.118 1.00 . B B . 14 HIS HE1 1 1
14 7500 2 1 15 HIS N N 5.569 2.516 2.208 1.00 . B B . 14 HIS N 1 1
14 7501 2 1 15 HIS ND1 N 2.769 1.971 4.397 1.00 . B B . 14 HIS ND1 1 1
14 7502 2 1 15 HIS NE2 N 1.570 0.680 3.078 1.00 . B B . 14 HIS NE2 1 1
14 7503 2 1 15 HIS O O 7.447 2.255 5.279 1.00 . B B . 14 HIS O 1 1
14 7504 2 1 16 GLN C C 10.092 4.001 3.638 1.00 . B B . 15 GLN C 1 1
14 7505 2 1 16 GLN CA C 9.599 2.562 3.495 1.00 . B B . 15 GLN CA 1 1
14 7506 2 1 16 GLN CB C 10.427 1.802 2.459 1.00 . B B . 15 GLN CB 1 1
14 7507 2 1 16 GLN CD C 11.284 -0.550 2.049 1.00 . B B . 15 GLN CD 1 1
14 7508 2 1 16 GLN CG C 10.101 0.305 2.487 1.00 . B B . 15 GLN CG 1 1
14 7509 2 1 16 GLN H H 7.943 2.578 2.189 1.00 . B B . 15 GLN H 1 1
14 7510 2 1 16 GLN HA H 9.748 2.070 4.452 1.00 . B B . 15 GLN HA 1 1
14 7511 2 1 16 GLN HB2 H 10.251 2.199 1.461 1.00 . B B . 15 GLN HB2 1 1
14 7512 2 1 16 GLN HB3 H 11.474 1.949 2.700 1.00 . B B . 15 GLN HB3 1 1
14 7513 2 1 16 GLN HE21 H 12.408 0.093 3.612 1.00 . B B . 15 GLN HE21 1 1
14 7514 2 1 16 GLN HE22 H 13.171 -1.077 2.554 1.00 . B B . 15 GLN HE22 1 1
14 7515 2 1 16 GLN HG2 H 9.843 0.008 3.502 1.00 . B B . 15 GLN HG2 1 1
14 7516 2 1 16 GLN HG3 H 9.241 0.117 1.845 1.00 . B B . 15 GLN HG3 1 1
14 7517 2 1 16 GLN N N 8.183 2.501 3.163 1.00 . B B . 15 GLN N 1 1
14 7518 2 1 16 GLN NE2 N 12.380 -0.500 2.796 1.00 . B B . 15 GLN NE2 1 1
14 7519 2 1 16 GLN O O 9.519 4.926 3.068 1.00 . B B . 15 GLN O 1 1
14 7520 2 1 16 GLN OE1 O 11.218 -1.265 1.059 1.00 . B B . 15 GLN OE1 1 1
14 7521 2 1 17 LYS C C 13.258 5.373 4.963 1.00 . B B . 16 LYS C 1 1
14 7522 2 1 17 LYS CA C 11.742 5.463 4.777 1.00 . B B . 16 LYS CA 1 1
14 7523 2 1 17 LYS CB C 11.081 5.970 6.069 1.00 . B B . 16 LYS CB 1 1
14 7524 2 1 17 LYS CD C 9.120 7.136 7.089 1.00 . B B . 16 LYS CD 1 1
14 7525 2 1 17 LYS CE C 7.693 7.580 6.802 1.00 . B B . 16 LYS CE 1 1
14 7526 2 1 17 LYS CG C 9.637 6.421 5.847 1.00 . B B . 16 LYS CG 1 1
14 7527 2 1 17 LYS H H 11.618 3.347 4.786 1.00 . B B . 16 LYS H 1 1
14 7528 2 1 17 LYS HA H 11.559 6.183 3.982 1.00 . B B . 16 LYS HA 1 1
14 7529 2 1 17 LYS HB2 H 11.108 5.185 6.826 1.00 . B B . 16 LYS HB2 1 1
14 7530 2 1 17 LYS HB3 H 11.643 6.824 6.443 1.00 . B B . 16 LYS HB3 1 1
14 7531 2 1 17 LYS HD2 H 9.131 6.453 7.937 1.00 . B B . 16 LYS HD2 1 1
14 7532 2 1 17 LYS HD3 H 9.738 8.008 7.307 1.00 . B B . 16 LYS HD3 1 1
14 7533 2 1 17 LYS HE2 H 7.693 8.267 5.960 1.00 . B B . 16 LYS HE2 1 1
14 7534 2 1 17 LYS HE3 H 7.100 6.711 6.532 1.00 . B B . 16 LYS HE3 1 1
14 7535 2 1 17 LYS HG2 H 9.592 7.102 4.998 1.00 . B B . 16 LYS HG2 1 1
14 7536 2 1 17 LYS HG3 H 9.005 5.558 5.647 1.00 . B B . 16 LYS HG3 1 1
14 7537 2 1 17 LYS HZ1 H 6.151 8.505 7.784 1.00 . B B . 16 LYS HZ1 1 1
14 7538 2 1 17 LYS HZ2 H 7.119 7.597 8.758 1.00 . B B . 16 LYS HZ2 1 1
14 7539 2 1 17 LYS HZ3 H 7.642 9.054 8.212 1.00 . B B . 16 LYS HZ3 1 1
14 7540 2 1 17 LYS N N 11.175 4.170 4.402 1.00 . B B . 16 LYS N 1 1
14 7541 2 1 17 LYS NZ N 7.104 8.232 7.974 1.00 . B B . 16 LYS NZ 1 1
14 7542 2 1 17 LYS O O 13.842 4.297 4.936 1.00 . B B . 16 LYS O 1 1
14 7543 2 1 18 NH2 HN1 H 14.913 6.501 5.282 1.00 . B B . 17 NH2 HN1 1 1
14 7544 2 1 18 NH2 HN2 H 13.409 7.390 5.177 1.00 . B B . 17 NH2 HN2 1 1
14 7545 2 1 18 NH2 N N 13.911 6.515 5.160 1.00 . B B . 17 NH2 N 1 1
14 7546 3 2 1 ZN ZN ZN 0.439 -0.240 1.602 1.00 . C A . 101 ZN ZN 1 1
15 7547 1 1 1 ACE C C -11.150 -4.598 -2.775 1.00 . A A . 0 ACE C 1 1
15 7548 1 1 1 ACE CH3 C -9.711 -4.225 -2.463 1.00 . A A . 0 ACE CH3 1 1
15 7549 1 1 1 ACE H1 H -9.565 -3.159 -2.637 1.00 . A A . 0 ACE H1 1 1
15 7550 1 1 1 ACE H2 H -9.497 -4.456 -1.422 1.00 . A A . 0 ACE H2 1 1
15 7551 1 1 1 ACE H3 H -9.038 -4.790 -3.106 1.00 . A A . 0 ACE H3 1 1
15 7552 1 1 1 ACE O O -11.388 -5.647 -3.366 1.00 . A A . 0 ACE O 1 1
15 7553 1 1 2 ASP C C -14.228 -2.550 -2.450 1.00 . A A . 1 ASP C 1 1
15 7554 1 1 2 ASP CA C -13.530 -3.902 -2.592 1.00 . A A . 1 ASP CA 1 1
15 7555 1 1 2 ASP CB C -14.088 -4.886 -1.561 1.00 . A A . 1 ASP CB 1 1
15 7556 1 1 2 ASP CG C -15.536 -5.239 -1.855 1.00 . A A . 1 ASP CG 1 1
15 7557 1 1 2 ASP H H -11.805 -2.878 -1.935 1.00 . A A . 1 ASP H 1 1
15 7558 1 1 2 ASP HA H -13.714 -4.292 -3.592 1.00 . A A . 1 ASP HA 1 1
15 7559 1 1 2 ASP HB2 H -13.494 -5.800 -1.557 1.00 . A A . 1 ASP HB2 1 1
15 7560 1 1 2 ASP HB3 H -14.033 -4.428 -0.577 1.00 . A A . 1 ASP HB3 1 1
15 7561 1 1 2 ASP N N -12.093 -3.733 -2.388 1.00 . A A . 1 ASP N 1 1
15 7562 1 1 2 ASP O O -13.787 -1.732 -1.651 1.00 . A A . 1 ASP O 1 1
15 7563 1 1 2 ASP OD1 O -16.413 -4.445 -1.454 1.00 . A A . 1 ASP OD1 1 1
15 7564 1 1 2 ASP OD2 O -15.754 -6.296 -2.470 1.00 . A A . 1 ASP OD2 1 1
15 7565 1 1 3 ALA C C -16.445 -0.504 -1.899 1.00 . A A . 2 ALA C 1 1
15 7566 1 1 3 ALA CA C -16.073 -1.088 -3.258 1.00 . A A . 2 ALA CA 1 1
15 7567 1 1 3 ALA CB C -17.350 -1.286 -4.075 1.00 . A A . 2 ALA CB 1 1
15 7568 1 1 3 ALA H H -15.667 -3.106 -3.750 1.00 . A A . 2 ALA H 1 1
15 7569 1 1 3 ALA HA H -15.452 -0.365 -3.775 1.00 . A A . 2 ALA HA 1 1
15 7570 1 1 3 ALA HB1 H -17.929 -0.363 -4.056 1.00 . A A . 2 ALA HB1 1 1
15 7571 1 1 3 ALA HB2 H -17.103 -1.525 -5.107 1.00 . A A . 2 ALA HB2 1 1
15 7572 1 1 3 ALA HB3 H -17.953 -2.081 -3.639 1.00 . A A . 2 ALA HB3 1 1
15 7573 1 1 3 ALA N N -15.333 -2.345 -3.180 1.00 . A A . 2 ALA N 1 1
15 7574 1 1 3 ALA O O -16.295 0.700 -1.714 1.00 . A A . 2 ALA O 1 1
15 7575 1 1 4 GLU C C -16.183 -0.200 1.117 1.00 . A A . 3 GLU C 1 1
15 7576 1 1 4 GLU CA C -17.327 -0.861 0.365 1.00 . A A . 3 GLU CA 1 1
15 7577 1 1 4 GLU CB C -17.853 -2.006 1.229 1.00 . A A . 3 GLU CB 1 1
15 7578 1 1 4 GLU CD C -19.514 -3.831 1.461 1.00 . A A . 3 GLU CD 1 1
15 7579 1 1 4 GLU CG C -18.880 -2.854 0.496 1.00 . A A . 3 GLU CG 1 1
15 7580 1 1 4 GLU H H -16.952 -2.323 -1.140 1.00 . A A . 3 GLU H 1 1
15 7581 1 1 4 GLU HA H -18.131 -0.136 0.224 1.00 . A A . 3 GLU HA 1 1
15 7582 1 1 4 GLU HB2 H -17.026 -2.643 1.543 1.00 . A A . 3 GLU HB2 1 1
15 7583 1 1 4 GLU HB3 H -18.318 -1.578 2.118 1.00 . A A . 3 GLU HB3 1 1
15 7584 1 1 4 GLU HG2 H -19.650 -2.208 0.074 1.00 . A A . 3 GLU HG2 1 1
15 7585 1 1 4 GLU HG3 H -18.381 -3.396 -0.301 1.00 . A A . 3 GLU HG3 1 1
15 7586 1 1 4 GLU N N -16.894 -1.333 -0.948 1.00 . A A . 3 GLU N 1 1
15 7587 1 1 4 GLU O O -16.431 0.744 1.855 1.00 . A A . 3 GLU O 1 1
15 7588 1 1 4 GLU OE1 O -18.907 -4.894 1.704 1.00 . A A . 3 GLU OE1 1 1
15 7589 1 1 4 GLU OE2 O -20.584 -3.510 1.987 1.00 . A A . 3 GLU OE2 1 1
15 7590 1 1 5 PHE C C -12.956 0.794 0.645 1.00 . A A . 4 PHE C 1 1
15 7591 1 1 5 PHE CA C -13.740 -0.164 1.534 1.00 . A A . 4 PHE CA 1 1
15 7592 1 1 5 PHE CB C -12.855 -1.325 1.985 1.00 . A A . 4 PHE CB 1 1
15 7593 1 1 5 PHE CD1 C -14.385 -3.039 3.017 1.00 . A A . 4 PHE CD1 1 1
15 7594 1 1 5 PHE CD2 C -13.070 -1.620 4.487 1.00 . A A . 4 PHE CD2 1 1
15 7595 1 1 5 PHE CE1 C -14.933 -3.696 4.129 1.00 . A A . 4 PHE CE1 1 1
15 7596 1 1 5 PHE CE2 C -13.631 -2.267 5.603 1.00 . A A . 4 PHE CE2 1 1
15 7597 1 1 5 PHE CG C -13.429 -2.027 3.192 1.00 . A A . 4 PHE CG 1 1
15 7598 1 1 5 PHE CZ C -14.549 -3.316 5.427 1.00 . A A . 4 PHE CZ 1 1
15 7599 1 1 5 PHE H H -14.866 -1.498 0.320 1.00 . A A . 4 PHE H 1 1
15 7600 1 1 5 PHE HA H -14.013 0.403 2.420 1.00 . A A . 4 PHE HA 1 1
15 7601 1 1 5 PHE HB2 H -12.730 -2.035 1.164 1.00 . A A . 4 PHE HB2 1 1
15 7602 1 1 5 PHE HB3 H -11.867 -0.944 2.249 1.00 . A A . 4 PHE HB3 1 1
15 7603 1 1 5 PHE HD1 H -14.700 -3.297 2.019 1.00 . A A . 4 PHE HD1 1 1
15 7604 1 1 5 PHE HD2 H -12.382 -0.795 4.622 1.00 . A A . 4 PHE HD2 1 1
15 7605 1 1 5 PHE HE1 H -15.663 -4.475 3.984 1.00 . A A . 4 PHE HE1 1 1
15 7606 1 1 5 PHE HE2 H -13.365 -1.952 6.597 1.00 . A A . 4 PHE HE2 1 1
15 7607 1 1 5 PHE HZ H -14.981 -3.807 6.287 1.00 . A A . 4 PHE HZ 1 1
15 7608 1 1 5 PHE N N -14.953 -0.687 0.918 1.00 . A A . 4 PHE N 1 1
15 7609 1 1 5 PHE O O -12.168 1.551 1.202 1.00 . A A . 4 PHE O 1 1
15 7610 1 1 6 ARG C C -13.317 3.137 -1.496 1.00 . A A . 5 ARG C 1 1
15 7611 1 1 6 ARG CA C -12.620 1.772 -1.632 1.00 . A A . 5 ARG CA 1 1
15 7612 1 1 6 ARG CB C -12.684 1.208 -3.066 1.00 . A A . 5 ARG CB 1 1
15 7613 1 1 6 ARG CD C -10.163 0.560 -3.216 1.00 . A A . 5 ARG CD 1 1
15 7614 1 1 6 ARG CG C -11.627 0.149 -3.438 1.00 . A A . 5 ARG CG 1 1
15 7615 1 1 6 ARG CZ C -9.509 2.369 -4.849 1.00 . A A . 5 ARG CZ 1 1
15 7616 1 1 6 ARG H H -13.854 0.157 -1.056 1.00 . A A . 5 ARG H 1 1
15 7617 1 1 6 ARG HA H -11.575 1.928 -1.372 1.00 . A A . 5 ARG HA 1 1
15 7618 1 1 6 ARG HB2 H -13.675 0.787 -3.222 1.00 . A A . 5 ARG HB2 1 1
15 7619 1 1 6 ARG HB3 H -12.566 2.023 -3.780 1.00 . A A . 5 ARG HB3 1 1
15 7620 1 1 6 ARG HD2 H -9.946 0.486 -2.155 1.00 . A A . 5 ARG HD2 1 1
15 7621 1 1 6 ARG HD3 H -9.504 -0.136 -3.735 1.00 . A A . 5 ARG HD3 1 1
15 7622 1 1 6 ARG HE H -9.958 2.636 -2.909 1.00 . A A . 5 ARG HE 1 1
15 7623 1 1 6 ARG HG2 H -11.804 -0.761 -2.871 1.00 . A A . 5 ARG HG2 1 1
15 7624 1 1 6 ARG HG3 H -11.755 -0.090 -4.493 1.00 . A A . 5 ARG HG3 1 1
15 7625 1 1 6 ARG HH11 H -9.565 0.560 -5.778 1.00 . A A . 5 ARG HH11 1 1
15 7626 1 1 6 ARG HH12 H -9.088 1.905 -6.787 1.00 . A A . 5 ARG HH12 1 1
15 7627 1 1 6 ARG HH21 H -9.339 4.301 -4.238 1.00 . A A . 5 ARG HH21 1 1
15 7628 1 1 6 ARG HH22 H -8.976 4.013 -5.924 1.00 . A A . 5 ARG HH22 1 1
15 7629 1 1 6 ARG N N -13.189 0.818 -0.679 1.00 . A A . 5 ARG N 1 1
15 7630 1 1 6 ARG NE N -9.875 1.939 -3.634 1.00 . A A . 5 ARG NE 1 1
15 7631 1 1 6 ARG NH1 N -9.373 1.545 -5.888 1.00 . A A . 5 ARG NH1 1 1
15 7632 1 1 6 ARG NH2 N -9.270 3.668 -5.022 1.00 . A A . 5 ARG NH2 1 1
15 7633 1 1 6 ARG O O -13.733 3.757 -2.473 1.00 . A A . 5 ARG O 1 1
15 7634 1 1 7 ARG C C -13.032 5.981 -0.063 1.00 . A A . 6 ARG C 1 1
15 7635 1 1 7 ARG CA C -14.037 4.854 0.147 1.00 . A A . 6 ARG CA 1 1
15 7636 1 1 7 ARG CB C -14.472 4.773 1.617 1.00 . A A . 6 ARG CB 1 1
15 7637 1 1 7 ARG CD C -16.838 3.778 1.188 1.00 . A A . 6 ARG CD 1 1
15 7638 1 1 7 ARG CG C -15.485 3.657 1.908 1.00 . A A . 6 ARG CG 1 1
15 7639 1 1 7 ARG CZ C -17.320 3.889 -1.275 1.00 . A A . 6 ARG CZ 1 1
15 7640 1 1 7 ARG H H -13.121 3.015 0.504 1.00 . A A . 6 ARG H 1 1
15 7641 1 1 7 ARG HA H -14.909 5.040 -0.471 1.00 . A A . 6 ARG HA 1 1
15 7642 1 1 7 ARG HB2 H -13.590 4.579 2.228 1.00 . A A . 6 ARG HB2 1 1
15 7643 1 1 7 ARG HB3 H -14.898 5.726 1.927 1.00 . A A . 6 ARG HB3 1 1
15 7644 1 1 7 ARG HD2 H -17.568 3.187 1.740 1.00 . A A . 6 ARG HD2 1 1
15 7645 1 1 7 ARG HD3 H -17.158 4.815 1.215 1.00 . A A . 6 ARG HD3 1 1
15 7646 1 1 7 ARG HE H -16.426 2.345 -0.326 1.00 . A A . 6 ARG HE 1 1
15 7647 1 1 7 ARG HG2 H -15.019 2.707 1.661 1.00 . A A . 6 ARG HG2 1 1
15 7648 1 1 7 ARG HG3 H -15.680 3.657 2.980 1.00 . A A . 6 ARG HG3 1 1
15 7649 1 1 7 ARG HH11 H -18.012 5.541 -0.317 1.00 . A A . 6 ARG HH11 1 1
15 7650 1 1 7 ARG HH12 H -18.311 5.490 -2.040 1.00 . A A . 6 ARG HH12 1 1
15 7651 1 1 7 ARG HH21 H -16.822 2.400 -2.567 1.00 . A A . 6 ARG HH21 1 1
15 7652 1 1 7 ARG HH22 H -17.648 3.766 -3.276 1.00 . A A . 6 ARG HH22 1 1
15 7653 1 1 7 ARG N N -13.457 3.595 -0.250 1.00 . A A . 6 ARG N 1 1
15 7654 1 1 7 ARG NE N -16.813 3.270 -0.194 1.00 . A A . 6 ARG NE 1 1
15 7655 1 1 7 ARG NH1 N -17.913 5.077 -1.210 1.00 . A A . 6 ARG NH1 1 1
15 7656 1 1 7 ARG NH2 N -17.251 3.309 -2.468 1.00 . A A . 6 ARG NH2 1 1
15 7657 1 1 7 ARG O O -11.822 5.801 0.047 1.00 . A A . 6 ARG O 1 1
15 7658 1 1 8 ASP C C -11.990 8.786 0.718 1.00 . A A . 7 ASP C 1 1
15 7659 1 1 8 ASP CA C -12.797 8.384 -0.525 1.00 . A A . 7 ASP CA 1 1
15 7660 1 1 8 ASP CB C -13.811 9.474 -0.866 1.00 . A A . 7 ASP CB 1 1
15 7661 1 1 8 ASP CG C -13.106 10.781 -1.151 1.00 . A A . 7 ASP CG 1 1
15 7662 1 1 8 ASP H H -14.567 7.252 -0.363 1.00 . A A . 7 ASP H 1 1
15 7663 1 1 8 ASP HA H -12.114 8.243 -1.364 1.00 . A A . 7 ASP HA 1 1
15 7664 1 1 8 ASP HB2 H -14.382 9.183 -1.748 1.00 . A A . 7 ASP HB2 1 1
15 7665 1 1 8 ASP HB3 H -14.502 9.603 -0.031 1.00 . A A . 7 ASP HB3 1 1
15 7666 1 1 8 ASP N N -13.562 7.171 -0.326 1.00 . A A . 7 ASP N 1 1
15 7667 1 1 8 ASP O O -10.973 9.461 0.598 1.00 . A A . 7 ASP O 1 1
15 7668 1 1 8 ASP OD1 O -12.611 10.949 -2.268 1.00 . A A . 7 ASP OD1 1 1
15 7669 1 1 8 ASP OD2 O -13.046 11.609 -0.215 1.00 . A A . 7 ASP OD2 1 1
15 7670 1 1 9 SER C C -10.612 8.425 3.628 1.00 . A A . 8 SER C 1 1
15 7671 1 1 9 SER CA C -11.993 8.916 3.179 1.00 . A A . 8 SER CA 1 1
15 7672 1 1 9 SER CB C -13.048 8.567 4.229 1.00 . A A . 8 SER CB 1 1
15 7673 1 1 9 SER H H -13.299 7.850 1.931 1.00 . A A . 8 SER H 1 1
15 7674 1 1 9 SER HA H -11.948 10.000 3.089 1.00 . A A . 8 SER HA 1 1
15 7675 1 1 9 SER HB2 H -13.069 7.487 4.367 1.00 . A A . 8 SER HB2 1 1
15 7676 1 1 9 SER HB3 H -12.797 9.050 5.173 1.00 . A A . 8 SER HB3 1 1
15 7677 1 1 9 SER HG H -14.987 8.504 4.309 1.00 . A A . 8 SER HG 1 1
15 7678 1 1 9 SER N N -12.447 8.389 1.905 1.00 . A A . 8 SER N 1 1
15 7679 1 1 9 SER O O -10.165 8.866 4.684 1.00 . A A . 8 SER O 1 1
15 7680 1 1 9 SER OG O -14.327 8.993 3.808 1.00 . A A . 8 SER OG 1 1
15 7681 1 1 10 GLY C C -7.724 7.373 1.944 1.00 . A A . 9 GLY C 1 1
15 7682 1 1 10 GLY CA C -8.603 7.045 3.154 1.00 . A A . 9 GLY CA 1 1
15 7683 1 1 10 GLY H H -10.304 7.276 1.966 1.00 . A A . 9 GLY H 1 1
15 7684 1 1 10 GLY HA2 H -8.188 7.502 4.048 1.00 . A A . 9 GLY HA2 1 1
15 7685 1 1 10 GLY HA3 H -8.662 5.973 3.318 1.00 . A A . 9 GLY HA3 1 1
15 7686 1 1 10 GLY N N -9.941 7.540 2.871 1.00 . A A . 9 GLY N 1 1
15 7687 1 1 10 GLY O O -7.653 8.529 1.545 1.00 . A A . 9 GLY O 1 1
15 7688 1 1 11 TYR C C -5.846 4.341 0.861 1.00 . A A . 10 TYR C 1 1
15 7689 1 1 11 TYR CA C -6.997 5.008 1.612 1.00 . A A . 10 TYR CA 1 1
15 7690 1 1 11 TYR CB C -8.320 4.339 1.202 1.00 . A A . 10 TYR CB 1 1
15 7691 1 1 11 TYR CD1 C -8.285 2.763 3.189 1.00 . A A . 10 TYR CD1 1 1
15 7692 1 1 11 TYR CD2 C -10.397 3.749 2.505 1.00 . A A . 10 TYR CD2 1 1
15 7693 1 1 11 TYR CE1 C -8.920 2.128 4.259 1.00 . A A . 10 TYR CE1 1 1
15 7694 1 1 11 TYR CE2 C -11.050 3.090 3.554 1.00 . A A . 10 TYR CE2 1 1
15 7695 1 1 11 TYR CG C -9.013 3.598 2.324 1.00 . A A . 10 TYR CG 1 1
15 7696 1 1 11 TYR CZ C -10.311 2.280 4.442 1.00 . A A . 10 TYR CZ 1 1
15 7697 1 1 11 TYR H H -6.660 6.652 0.412 1.00 . A A . 10 TYR H 1 1
15 7698 1 1 11 TYR HA H -6.832 4.901 2.684 1.00 . A A . 10 TYR HA 1 1
15 7699 1 1 11 TYR HB2 H -9.009 5.082 0.806 1.00 . A A . 10 TYR HB2 1 1
15 7700 1 1 11 TYR HB3 H -8.131 3.654 0.380 1.00 . A A . 10 TYR HB3 1 1
15 7701 1 1 11 TYR HD1 H -7.236 2.596 3.040 1.00 . A A . 10 TYR HD1 1 1
15 7702 1 1 11 TYR HD2 H -10.964 4.366 1.833 1.00 . A A . 10 TYR HD2 1 1
15 7703 1 1 11 TYR HE1 H -8.331 1.532 4.935 1.00 . A A . 10 TYR HE1 1 1
15 7704 1 1 11 TYR HE2 H -12.111 3.220 3.687 1.00 . A A . 10 TYR HE2 1 1
15 7705 1 1 11 TYR HH H -10.318 1.204 6.064 1.00 . A A . 10 TYR HH 1 1
15 7706 1 1 11 TYR N N -7.048 6.416 1.304 1.00 . A A . 10 TYR N 1 1
15 7707 1 1 11 TYR O O -5.512 4.716 -0.261 1.00 . A A . 10 TYR O 1 1
15 7708 1 1 11 TYR OH O -10.930 1.670 5.489 1.00 . A A . 10 TYR OH 1 1
15 7709 1 1 12 GLU C C -5.238 0.914 1.316 1.00 . A A . 11 GLU C 1 1
15 7710 1 1 12 GLU CA C -4.589 2.218 0.822 1.00 . A A . 11 GLU CA 1 1
15 7711 1 1 12 GLU CB C -3.102 2.351 1.185 1.00 . A A . 11 GLU CB 1 1
15 7712 1 1 12 GLU CD C -1.106 0.765 1.048 1.00 . A A . 11 GLU CD 1 1
15 7713 1 1 12 GLU CG C -2.238 1.444 0.298 1.00 . A A . 11 GLU CG 1 1
15 7714 1 1 12 GLU H H -5.600 3.089 2.420 1.00 . A A . 11 GLU H 1 1
15 7715 1 1 12 GLU HA H -4.709 2.309 -0.259 1.00 . A A . 11 GLU HA 1 1
15 7716 1 1 12 GLU HB2 H -2.785 3.384 1.039 1.00 . A A . 11 GLU HB2 1 1
15 7717 1 1 12 GLU HB3 H -2.962 2.111 2.240 1.00 . A A . 11 GLU HB3 1 1
15 7718 1 1 12 GLU HG2 H -2.861 0.674 -0.139 1.00 . A A . 11 GLU HG2 1 1
15 7719 1 1 12 GLU HG3 H -1.806 2.038 -0.503 1.00 . A A . 11 GLU HG3 1 1
15 7720 1 1 12 GLU N N -5.326 3.276 1.467 1.00 . A A . 11 GLU N 1 1
15 7721 1 1 12 GLU O O -4.789 0.315 2.291 1.00 . A A . 11 GLU O 1 1
15 7722 1 1 12 GLU OE1 O -0.360 1.468 1.741 1.00 . A A . 11 GLU OE1 1 1
15 7723 1 1 12 GLU OE2 O -1.010 -0.478 0.961 1.00 . A A . 11 GLU OE2 1 1
15 7724 1 1 13 VAL C C -6.601 -1.941 1.025 1.00 . A A . 12 VAL C 1 1
15 7725 1 1 13 VAL CA C -7.256 -0.563 1.056 1.00 . A A . 12 VAL CA 1 1
15 7726 1 1 13 VAL CB C -8.533 -0.514 0.186 1.00 . A A . 12 VAL CB 1 1
15 7727 1 1 13 VAL CG1 C -9.475 -1.728 0.253 1.00 . A A . 12 VAL CG1 1 1
15 7728 1 1 13 VAL CG2 C -9.362 0.679 0.640 1.00 . A A . 12 VAL CG2 1 1
15 7729 1 1 13 VAL H H -6.658 1.086 -0.107 1.00 . A A . 12 VAL H 1 1
15 7730 1 1 13 VAL HA H -7.552 -0.377 2.085 1.00 . A A . 12 VAL HA 1 1
15 7731 1 1 13 VAL HB H -8.247 -0.372 -0.854 1.00 . A A . 12 VAL HB 1 1
15 7732 1 1 13 VAL HG11 H -8.987 -2.595 -0.184 1.00 . A A . 12 VAL HG11 1 1
15 7733 1 1 13 VAL HG12 H -9.742 -1.941 1.288 1.00 . A A . 12 VAL HG12 1 1
15 7734 1 1 13 VAL HG13 H -10.383 -1.534 -0.318 1.00 . A A . 12 VAL HG13 1 1
15 7735 1 1 13 VAL HG21 H -9.690 0.536 1.671 1.00 . A A . 12 VAL HG21 1 1
15 7736 1 1 13 VAL HG22 H -8.770 1.579 0.561 1.00 . A A . 12 VAL HG22 1 1
15 7737 1 1 13 VAL HG23 H -10.213 0.773 -0.022 1.00 . A A . 12 VAL HG23 1 1
15 7738 1 1 13 VAL N N -6.347 0.522 0.668 1.00 . A A . 12 VAL N 1 1
15 7739 1 1 13 VAL O O -7.191 -2.892 1.515 1.00 . A A . 12 VAL O 1 1
15 7740 1 1 14 HIS C C -4.348 -3.588 2.197 1.00 . A A . 13 HIS C 1 1
15 7741 1 1 14 HIS CA C -4.595 -3.283 0.710 1.00 . A A . 13 HIS CA 1 1
15 7742 1 1 14 HIS CB C -3.287 -3.131 -0.063 1.00 . A A . 13 HIS CB 1 1
15 7743 1 1 14 HIS CD2 C -1.010 -3.967 0.723 1.00 . A A . 13 HIS CD2 1 1
15 7744 1 1 14 HIS CE1 C -1.267 -6.125 0.495 1.00 . A A . 13 HIS CE1 1 1
15 7745 1 1 14 HIS CG C -2.262 -4.191 0.227 1.00 . A A . 13 HIS CG 1 1
15 7746 1 1 14 HIS H H -4.916 -1.274 0.106 1.00 . A A . 13 HIS H 1 1
15 7747 1 1 14 HIS HA H -5.185 -4.094 0.287 1.00 . A A . 13 HIS HA 1 1
15 7748 1 1 14 HIS HB2 H -3.505 -3.134 -1.128 1.00 . A A . 13 HIS HB2 1 1
15 7749 1 1 14 HIS HB3 H -2.852 -2.167 0.194 1.00 . A A . 13 HIS HB3 1 1
15 7750 1 1 14 HIS HD1 H -3.228 -6.033 -0.258 1.00 . A A . 13 HIS HD1 1 1
15 7751 1 1 14 HIS HD2 H -0.589 -3.007 0.963 1.00 . A A . 13 HIS HD2 1 1
15 7752 1 1 14 HIS HE1 H -1.077 -7.186 0.491 1.00 . A A . 13 HIS HE1 1 1
15 7753 1 1 14 HIS N N -5.368 -2.070 0.535 1.00 . A A . 13 HIS N 1 1
15 7754 1 1 14 HIS ND1 N -2.411 -5.551 0.094 1.00 . A A . 13 HIS ND1 1 1
15 7755 1 1 14 HIS NE2 N -0.377 -5.197 0.876 1.00 . A A . 13 HIS NE2 1 1
15 7756 1 1 14 HIS O O -4.095 -4.736 2.538 1.00 . A A . 13 HIS O 1 1
15 7757 1 1 15 HIS C C -5.775 -3.188 5.139 1.00 . A A . 14 HIS C 1 1
15 7758 1 1 15 HIS CA C -4.431 -2.780 4.529 1.00 . A A . 14 HIS CA 1 1
15 7759 1 1 15 HIS CB C -3.885 -1.501 5.168 1.00 . A A . 14 HIS CB 1 1
15 7760 1 1 15 HIS CD2 C -1.848 -0.644 3.925 1.00 . A A . 14 HIS CD2 1 1
15 7761 1 1 15 HIS CE1 C -0.284 -1.870 4.840 1.00 . A A . 14 HIS CE1 1 1
15 7762 1 1 15 HIS CG C -2.417 -1.376 4.919 1.00 . A A . 14 HIS CG 1 1
15 7763 1 1 15 HIS H H -4.676 -1.664 2.748 1.00 . A A . 14 HIS H 1 1
15 7764 1 1 15 HIS HA H -3.737 -3.586 4.745 1.00 . A A . 14 HIS HA 1 1
15 7765 1 1 15 HIS HB2 H -4.407 -0.634 4.763 1.00 . A A . 14 HIS HB2 1 1
15 7766 1 1 15 HIS HB3 H -4.036 -1.513 6.241 1.00 . A A . 14 HIS HB3 1 1
15 7767 1 1 15 HIS HD1 H -1.537 -2.800 6.241 1.00 . A A . 14 HIS HD1 1 1
15 7768 1 1 15 HIS HD2 H -2.383 0.008 3.254 1.00 . A A . 14 HIS HD2 1 1
15 7769 1 1 15 HIS HE1 H 0.667 -2.333 5.045 1.00 . A A . 14 HIS HE1 1 1
15 7770 1 1 15 HIS N N -4.473 -2.596 3.086 1.00 . A A . 14 HIS N 1 1
15 7771 1 1 15 HIS ND1 N -1.420 -2.126 5.498 1.00 . A A . 14 HIS ND1 1 1
15 7772 1 1 15 HIS NE2 N -0.493 -0.969 3.874 1.00 . A A . 14 HIS NE2 1 1
15 7773 1 1 15 HIS O O -5.835 -3.353 6.349 1.00 . A A . 14 HIS O 1 1
15 7774 1 1 16 GLN C C -8.814 -4.835 4.122 1.00 . A A . 15 GLN C 1 1
15 7775 1 1 16 GLN CA C -8.200 -3.602 4.781 1.00 . A A . 15 GLN CA 1 1
15 7776 1 1 16 GLN CB C -9.041 -2.364 4.442 1.00 . A A . 15 GLN CB 1 1
15 7777 1 1 16 GLN CD C -9.513 -1.701 6.809 1.00 . A A . 15 GLN CD 1 1
15 7778 1 1 16 GLN CG C -8.882 -1.271 5.496 1.00 . A A . 15 GLN CG 1 1
15 7779 1 1 16 GLN H H -6.713 -3.222 3.350 1.00 . A A . 15 GLN H 1 1
15 7780 1 1 16 GLN HA H -8.212 -3.772 5.852 1.00 . A A . 15 GLN HA 1 1
15 7781 1 1 16 GLN HB2 H -8.756 -1.968 3.469 1.00 . A A . 15 GLN HB2 1 1
15 7782 1 1 16 GLN HB3 H -10.094 -2.636 4.387 1.00 . A A . 15 GLN HB3 1 1
15 7783 1 1 16 GLN HE21 H -7.718 -1.843 7.755 1.00 . A A . 15 GLN HE21 1 1
15 7784 1 1 16 GLN HE22 H -9.113 -2.280 8.715 1.00 . A A . 15 GLN HE22 1 1
15 7785 1 1 16 GLN HG2 H -7.832 -1.012 5.632 1.00 . A A . 15 GLN HG2 1 1
15 7786 1 1 16 GLN HG3 H -9.418 -0.398 5.144 1.00 . A A . 15 GLN HG3 1 1
15 7787 1 1 16 GLN N N -6.835 -3.355 4.339 1.00 . A A . 15 GLN N 1 1
15 7788 1 1 16 GLN NE2 N -8.717 -1.956 7.844 1.00 . A A . 15 GLN NE2 1 1
15 7789 1 1 16 GLN O O -9.469 -5.612 4.807 1.00 . A A . 15 GLN O 1 1
15 7790 1 1 16 GLN OE1 O -10.725 -1.842 6.870 1.00 . A A . 15 GLN OE1 1 1
15 7791 1 1 17 LYS C C -8.197 -6.425 0.863 1.00 . A A . 16 LYS C 1 1
15 7792 1 1 17 LYS CA C -9.152 -6.105 2.016 1.00 . A A . 16 LYS CA 1 1
15 7793 1 1 17 LYS CB C -10.553 -5.746 1.485 1.00 . A A . 16 LYS CB 1 1
15 7794 1 1 17 LYS CD C -13.043 -5.901 2.140 1.00 . A A . 16 LYS CD 1 1
15 7795 1 1 17 LYS CE C -13.245 -7.263 1.474 1.00 . A A . 16 LYS CE 1 1
15 7796 1 1 17 LYS CG C -11.602 -5.708 2.610 1.00 . A A . 16 LYS CG 1 1
15 7797 1 1 17 LYS H H -8.076 -4.321 2.315 1.00 . A A . 16 LYS H 1 1
15 7798 1 1 17 LYS HA H -9.230 -6.999 2.636 1.00 . A A . 16 LYS HA 1 1
15 7799 1 1 17 LYS HB2 H -10.528 -4.782 0.975 1.00 . A A . 16 LYS HB2 1 1
15 7800 1 1 17 LYS HB3 H -10.835 -6.498 0.754 1.00 . A A . 16 LYS HB3 1 1
15 7801 1 1 17 LYS HD2 H -13.689 -5.841 3.016 1.00 . A A . 16 LYS HD2 1 1
15 7802 1 1 17 LYS HD3 H -13.308 -5.110 1.443 1.00 . A A . 16 LYS HD3 1 1
15 7803 1 1 17 LYS HE2 H -12.861 -7.218 0.457 1.00 . A A . 16 LYS HE2 1 1
15 7804 1 1 17 LYS HE3 H -12.696 -8.019 2.033 1.00 . A A . 16 LYS HE3 1 1
15 7805 1 1 17 LYS HG2 H -11.392 -6.497 3.328 1.00 . A A . 16 LYS HG2 1 1
15 7806 1 1 17 LYS HG3 H -11.531 -4.751 3.129 1.00 . A A . 16 LYS HG3 1 1
15 7807 1 1 17 LYS HZ1 H -15.202 -6.915 1.011 1.00 . A A . 16 LYS HZ1 1 1
15 7808 1 1 17 LYS HZ2 H -14.772 -8.503 0.912 1.00 . A A . 16 LYS HZ2 1 1
15 7809 1 1 17 LYS HZ3 H -14.991 -7.793 2.385 1.00 . A A . 16 LYS HZ3 1 1
15 7810 1 1 17 LYS N N -8.614 -5.013 2.815 1.00 . A A . 16 LYS N 1 1
15 7811 1 1 17 LYS NZ N -14.660 -7.650 1.442 1.00 . A A . 16 LYS NZ 1 1
15 7812 1 1 17 LYS O O -7.388 -5.598 0.450 1.00 . A A . 16 LYS O 1 1
15 7813 1 1 18 NH2 HN1 H -7.688 -7.899 -0.436 1.00 . A A . 17 NH2 HN1 1 1
15 7814 1 1 18 NH2 HN2 H -8.961 -8.301 0.695 1.00 . A A . 17 NH2 HN2 1 1
15 7815 1 1 18 NH2 N N -8.296 -7.638 0.325 1.00 . A A . 17 NH2 N 1 1
15 7816 2 1 1 ACE C C 6.645 7.210 -9.289 1.00 . B B . 0 ACE C 1 1
15 7817 2 1 1 ACE CH3 C 5.738 7.276 -8.078 1.00 . B B . 0 ACE CH3 1 1
15 7818 2 1 1 ACE H1 H 5.964 8.183 -7.532 1.00 . B B . 0 ACE H1 1 1
15 7819 2 1 1 ACE H2 H 4.698 7.315 -8.398 1.00 . B B . 0 ACE H2 1 1
15 7820 2 1 1 ACE H3 H 5.898 6.407 -7.440 1.00 . B B . 0 ACE H3 1 1
15 7821 2 1 1 ACE O O 6.206 7.534 -10.381 1.00 . B B . 0 ACE O 1 1
15 7822 2 1 2 ASP C C 9.778 5.464 -9.885 1.00 . B B . 1 ASP C 1 1
15 7823 2 1 2 ASP CA C 8.848 6.623 -10.205 1.00 . B B . 1 ASP CA 1 1
15 7824 2 1 2 ASP CB C 9.657 7.901 -10.433 1.00 . B B . 1 ASP CB 1 1
15 7825 2 1 2 ASP CG C 10.384 7.840 -11.767 1.00 . B B . 1 ASP CG 1 1
15 7826 2 1 2 ASP H H 8.219 6.551 -8.183 1.00 . B B . 1 ASP H 1 1
15 7827 2 1 2 ASP HA H 8.299 6.400 -11.118 1.00 . B B . 1 ASP HA 1 1
15 7828 2 1 2 ASP HB2 H 8.992 8.764 -10.427 1.00 . B B . 1 ASP HB2 1 1
15 7829 2 1 2 ASP HB3 H 10.391 8.014 -9.638 1.00 . B B . 1 ASP HB3 1 1
15 7830 2 1 2 ASP N N 7.902 6.797 -9.110 1.00 . B B . 1 ASP N 1 1
15 7831 2 1 2 ASP O O 10.237 5.364 -8.754 1.00 . B B . 1 ASP O 1 1
15 7832 2 1 2 ASP OD1 O 11.292 7.009 -11.914 1.00 . B B . 1 ASP OD1 1 1
15 7833 2 1 2 ASP OD2 O 10.004 8.631 -12.657 1.00 . B B . 1 ASP OD2 1 1
15 7834 2 1 3 ALA C C 11.970 3.338 -9.926 1.00 . B B . 2 ALA C 1 1
15 7835 2 1 3 ALA CA C 10.754 3.352 -10.844 1.00 . B B . 2 ALA CA 1 1
15 7836 2 1 3 ALA CB C 11.188 2.981 -12.263 1.00 . B B . 2 ALA CB 1 1
15 7837 2 1 3 ALA H H 9.699 4.898 -11.804 1.00 . B B . 2 ALA H 1 1
15 7838 2 1 3 ALA HA H 10.052 2.596 -10.494 1.00 . B B . 2 ALA HA 1 1
15 7839 2 1 3 ALA HB1 H 11.787 2.072 -12.245 1.00 . B B . 2 ALA HB1 1 1
15 7840 2 1 3 ALA HB2 H 10.312 2.821 -12.883 1.00 . B B . 2 ALA HB2 1 1
15 7841 2 1 3 ALA HB3 H 11.778 3.788 -12.691 1.00 . B B . 2 ALA HB3 1 1
15 7842 2 1 3 ALA N N 10.061 4.636 -10.899 1.00 . B B . 2 ALA N 1 1
15 7843 2 1 3 ALA O O 12.144 2.377 -9.185 1.00 . B B . 2 ALA O 1 1
15 7844 2 1 4 GLU C C 13.777 4.291 -7.664 1.00 . B B . 3 GLU C 1 1
15 7845 2 1 4 GLU CA C 13.994 4.515 -9.157 1.00 . B B . 3 GLU CA 1 1
15 7846 2 1 4 GLU CB C 14.672 5.859 -9.438 1.00 . B B . 3 GLU CB 1 1
15 7847 2 1 4 GLU CD C 14.453 8.378 -9.388 1.00 . B B . 3 GLU CD 1 1
15 7848 2 1 4 GLU CG C 13.770 7.051 -9.100 1.00 . B B . 3 GLU CG 1 1
15 7849 2 1 4 GLU H H 12.554 5.166 -10.568 1.00 . B B . 3 GLU H 1 1
15 7850 2 1 4 GLU HA H 14.666 3.729 -9.477 1.00 . B B . 3 GLU HA 1 1
15 7851 2 1 4 GLU HB2 H 15.592 5.923 -8.855 1.00 . B B . 3 GLU HB2 1 1
15 7852 2 1 4 GLU HB3 H 14.926 5.891 -10.495 1.00 . B B . 3 GLU HB3 1 1
15 7853 2 1 4 GLU HG2 H 12.850 6.985 -9.681 1.00 . B B . 3 GLU HG2 1 1
15 7854 2 1 4 GLU HG3 H 13.522 7.018 -8.044 1.00 . B B . 3 GLU HG3 1 1
15 7855 2 1 4 GLU N N 12.781 4.399 -9.952 1.00 . B B . 3 GLU N 1 1
15 7856 2 1 4 GLU O O 14.639 3.675 -7.057 1.00 . B B . 3 GLU O 1 1
15 7857 2 1 4 GLU OE1 O 14.463 8.790 -10.562 1.00 . B B . 3 GLU OE1 1 1
15 7858 2 1 4 GLU OE2 O 14.973 8.979 -8.430 1.00 . B B . 3 GLU OE2 1 1
15 7859 2 1 5 PHE C C 11.033 3.492 -5.646 1.00 . B B . 4 PHE C 1 1
15 7860 2 1 5 PHE CA C 12.257 4.408 -5.716 1.00 . B B . 4 PHE CA 1 1
15 7861 2 1 5 PHE CB C 12.005 5.715 -4.982 1.00 . B B . 4 PHE CB 1 1
15 7862 2 1 5 PHE CD1 C 9.523 6.152 -4.930 1.00 . B B . 4 PHE CD1 1 1
15 7863 2 1 5 PHE CD2 C 10.915 7.513 -6.383 1.00 . B B . 4 PHE CD2 1 1
15 7864 2 1 5 PHE CE1 C 8.402 6.929 -5.267 1.00 . B B . 4 PHE CE1 1 1
15 7865 2 1 5 PHE CE2 C 9.795 8.282 -6.735 1.00 . B B . 4 PHE CE2 1 1
15 7866 2 1 5 PHE CG C 10.787 6.478 -5.446 1.00 . B B . 4 PHE CG 1 1
15 7867 2 1 5 PHE CZ C 8.550 8.018 -6.143 1.00 . B B . 4 PHE CZ 1 1
15 7868 2 1 5 PHE H H 11.985 5.232 -7.647 1.00 . B B . 4 PHE H 1 1
15 7869 2 1 5 PHE HA H 13.072 3.903 -5.207 1.00 . B B . 4 PHE HA 1 1
15 7870 2 1 5 PHE HB2 H 11.886 5.491 -3.923 1.00 . B B . 4 PHE HB2 1 1
15 7871 2 1 5 PHE HB3 H 12.887 6.347 -5.088 1.00 . B B . 4 PHE HB3 1 1
15 7872 2 1 5 PHE HD1 H 9.428 5.299 -4.275 1.00 . B B . 4 PHE HD1 1 1
15 7873 2 1 5 PHE HD2 H 11.880 7.720 -6.813 1.00 . B B . 4 PHE HD2 1 1
15 7874 2 1 5 PHE HE1 H 7.436 6.697 -4.847 1.00 . B B . 4 PHE HE1 1 1
15 7875 2 1 5 PHE HE2 H 9.888 9.084 -7.450 1.00 . B B . 4 PHE HE2 1 1
15 7876 2 1 5 PHE HZ H 7.708 8.645 -6.375 1.00 . B B . 4 PHE HZ 1 1
15 7877 2 1 5 PHE N N 12.644 4.707 -7.091 1.00 . B B . 4 PHE N 1 1
15 7878 2 1 5 PHE O O 10.840 2.818 -4.638 1.00 . B B . 4 PHE O 1 1
15 7879 2 1 6 ARG C C 9.942 1.134 -7.479 1.00 . B B . 5 ARG C 1 1
15 7880 2 1 6 ARG CA C 9.246 2.402 -6.985 1.00 . B B . 5 ARG CA 1 1
15 7881 2 1 6 ARG CB C 8.153 2.999 -7.886 1.00 . B B . 5 ARG CB 1 1
15 7882 2 1 6 ARG CD C 6.367 1.428 -6.854 1.00 . B B . 5 ARG CD 1 1
15 7883 2 1 6 ARG CG C 6.909 2.132 -8.108 1.00 . B B . 5 ARG CG 1 1
15 7884 2 1 6 ARG CZ C 6.516 -1.061 -7.122 1.00 . B B . 5 ARG CZ 1 1
15 7885 2 1 6 ARG H H 10.447 4.021 -7.510 1.00 . B B . 5 ARG H 1 1
15 7886 2 1 6 ARG HA H 8.791 2.145 -6.043 1.00 . B B . 5 ARG HA 1 1
15 7887 2 1 6 ARG HB2 H 7.828 3.934 -7.426 1.00 . B B . 5 ARG HB2 1 1
15 7888 2 1 6 ARG HB3 H 8.572 3.237 -8.859 1.00 . B B . 5 ARG HB3 1 1
15 7889 2 1 6 ARG HD2 H 6.533 2.052 -5.976 1.00 . B B . 5 ARG HD2 1 1
15 7890 2 1 6 ARG HD3 H 5.294 1.299 -6.959 1.00 . B B . 5 ARG HD3 1 1
15 7891 2 1 6 ARG HE H 7.789 0.073 -6.044 1.00 . B B . 5 ARG HE 1 1
15 7892 2 1 6 ARG HG2 H 6.128 2.784 -8.498 1.00 . B B . 5 ARG HG2 1 1
15 7893 2 1 6 ARG HG3 H 7.133 1.396 -8.877 1.00 . B B . 5 ARG HG3 1 1
15 7894 2 1 6 ARG HH11 H 4.995 -0.281 -8.230 1.00 . B B . 5 ARG HH11 1 1
15 7895 2 1 6 ARG HH12 H 5.140 -2.021 -8.272 1.00 . B B . 5 ARG HH12 1 1
15 7896 2 1 6 ARG HH21 H 7.922 -2.174 -6.163 1.00 . B B . 5 ARG HH21 1 1
15 7897 2 1 6 ARG HH22 H 6.765 -3.081 -7.108 1.00 . B B . 5 ARG HH22 1 1
15 7898 2 1 6 ARG N N 10.249 3.417 -6.730 1.00 . B B . 5 ARG N 1 1
15 7899 2 1 6 ARG NE N 6.976 0.104 -6.641 1.00 . B B . 5 ARG NE 1 1
15 7900 2 1 6 ARG NH1 N 5.454 -1.127 -7.926 1.00 . B B . 5 ARG NH1 1 1
15 7901 2 1 6 ARG NH2 N 7.126 -2.195 -6.785 1.00 . B B . 5 ARG NH2 1 1
15 7902 2 1 6 ARG O O 9.595 0.556 -8.497 1.00 . B B . 5 ARG O 1 1
15 7903 2 1 7 ARG C C 10.864 -1.695 -6.553 1.00 . B B . 6 ARG C 1 1
15 7904 2 1 7 ARG CA C 11.749 -0.465 -6.773 1.00 . B B . 6 ARG CA 1 1
15 7905 2 1 7 ARG CB C 12.787 -0.341 -5.648 1.00 . B B . 6 ARG CB 1 1
15 7906 2 1 7 ARG CD C 14.884 0.478 -6.869 1.00 . B B . 6 ARG CD 1 1
15 7907 2 1 7 ARG CG C 13.835 0.769 -5.795 1.00 . B B . 6 ARG CG 1 1
15 7908 2 1 7 ARG CZ C 14.918 0.351 -9.350 1.00 . B B . 6 ARG CZ 1 1
15 7909 2 1 7 ARG H H 11.182 1.330 -5.929 1.00 . B B . 6 ARG H 1 1
15 7910 2 1 7 ARG HA H 12.242 -0.532 -7.739 1.00 . B B . 6 ARG HA 1 1
15 7911 2 1 7 ARG HB2 H 12.238 -0.108 -4.735 1.00 . B B . 6 ARG HB2 1 1
15 7912 2 1 7 ARG HB3 H 13.299 -1.293 -5.524 1.00 . B B . 6 ARG HB3 1 1
15 7913 2 1 7 ARG HD2 H 15.780 1.059 -6.658 1.00 . B B . 6 ARG HD2 1 1
15 7914 2 1 7 ARG HD3 H 15.132 -0.580 -6.837 1.00 . B B . 6 ARG HD3 1 1
15 7915 2 1 7 ARG HE H 13.638 1.476 -8.267 1.00 . B B . 6 ARG HE 1 1
15 7916 2 1 7 ARG HG2 H 13.345 1.720 -5.992 1.00 . B B . 6 ARG HG2 1 1
15 7917 2 1 7 ARG HG3 H 14.355 0.855 -4.841 1.00 . B B . 6 ARG HG3 1 1
15 7918 2 1 7 ARG HH11 H 16.405 -0.756 -8.504 1.00 . B B . 6 ARG HH11 1 1
15 7919 2 1 7 ARG HH12 H 16.310 -0.831 -10.247 1.00 . B B . 6 ARG HH12 1 1
15 7920 2 1 7 ARG HH21 H 13.521 1.277 -10.497 1.00 . B B . 6 ARG HH21 1 1
15 7921 2 1 7 ARG HH22 H 14.700 0.325 -11.369 1.00 . B B . 6 ARG HH22 1 1
15 7922 2 1 7 ARG N N 10.959 0.739 -6.712 1.00 . B B . 6 ARG N 1 1
15 7923 2 1 7 ARG NE N 14.412 0.826 -8.208 1.00 . B B . 6 ARG NE 1 1
15 7924 2 1 7 ARG NH1 N 15.971 -0.466 -9.368 1.00 . B B . 6 ARG NH1 1 1
15 7925 2 1 7 ARG NH2 N 14.348 0.697 -10.500 1.00 . B B . 6 ARG NH2 1 1
15 7926 2 1 7 ARG O O 9.808 -1.603 -5.928 1.00 . B B . 6 ARG O 1 1
15 7927 2 1 8 ASP C C 11.000 -5.171 -6.226 1.00 . B B . 7 ASP C 1 1
15 7928 2 1 8 ASP CA C 10.527 -4.074 -7.171 1.00 . B B . 7 ASP CA 1 1
15 7929 2 1 8 ASP CB C 10.628 -4.602 -8.603 1.00 . B B . 7 ASP CB 1 1
15 7930 2 1 8 ASP CG C 10.151 -3.555 -9.591 1.00 . B B . 7 ASP CG 1 1
15 7931 2 1 8 ASP H H 12.209 -2.841 -7.527 1.00 . B B . 7 ASP H 1 1
15 7932 2 1 8 ASP HA H 9.479 -3.862 -6.959 1.00 . B B . 7 ASP HA 1 1
15 7933 2 1 8 ASP HB2 H 11.663 -4.860 -8.827 1.00 . B B . 7 ASP HB2 1 1
15 7934 2 1 8 ASP HB3 H 10.020 -5.501 -8.706 1.00 . B B . 7 ASP HB3 1 1
15 7935 2 1 8 ASP N N 11.311 -2.843 -7.066 1.00 . B B . 7 ASP N 1 1
15 7936 2 1 8 ASP O O 10.235 -6.089 -5.963 1.00 . B B . 7 ASP O 1 1
15 7937 2 1 8 ASP OD1 O 10.971 -2.716 -9.990 1.00 . B B . 7 ASP OD1 1 1
15 7938 2 1 8 ASP OD2 O 8.944 -3.585 -9.916 1.00 . B B . 7 ASP OD2 1 1
15 7939 2 1 9 SER C C 12.273 -5.866 -3.399 1.00 . B B . 8 SER C 1 1
15 7940 2 1 9 SER CA C 12.776 -6.109 -4.822 1.00 . B B . 8 SER CA 1 1
15 7941 2 1 9 SER CB C 14.303 -6.111 -4.905 1.00 . B B . 8 SER CB 1 1
15 7942 2 1 9 SER H H 12.854 -4.369 -6.014 1.00 . B B . 8 SER H 1 1
15 7943 2 1 9 SER HA H 12.432 -7.081 -5.154 1.00 . B B . 8 SER HA 1 1
15 7944 2 1 9 SER HB2 H 14.693 -5.126 -4.653 1.00 . B B . 8 SER HB2 1 1
15 7945 2 1 9 SER HB3 H 14.706 -6.848 -4.216 1.00 . B B . 8 SER HB3 1 1
15 7946 2 1 9 SER HG H 14.407 -7.343 -6.401 1.00 . B B . 8 SER HG 1 1
15 7947 2 1 9 SER N N 12.236 -5.107 -5.722 1.00 . B B . 8 SER N 1 1
15 7948 2 1 9 SER O O 12.970 -5.252 -2.602 1.00 . B B . 8 SER O 1 1
15 7949 2 1 9 SER OG O 14.712 -6.450 -6.206 1.00 . B B . 8 SER OG 1 1
15 7950 2 1 10 GLY C C 9.049 -6.753 -1.819 1.00 . B B . 9 GLY C 1 1
15 7951 2 1 10 GLY CA C 10.455 -6.160 -1.766 1.00 . B B . 9 GLY CA 1 1
15 7952 2 1 10 GLY H H 10.480 -6.766 -3.777 1.00 . B B . 9 GLY H 1 1
15 7953 2 1 10 GLY HA2 H 11.055 -6.686 -1.024 1.00 . B B . 9 GLY HA2 1 1
15 7954 2 1 10 GLY HA3 H 10.457 -5.108 -1.488 1.00 . B B . 9 GLY HA3 1 1
15 7955 2 1 10 GLY N N 11.058 -6.325 -3.075 1.00 . B B . 9 GLY N 1 1
15 7956 2 1 10 GLY O O 8.910 -7.966 -1.917 1.00 . B B . 9 GLY O 1 1
15 7957 2 1 11 TYR C C 6.457 -4.147 -1.205 1.00 . B B . 10 TYR C 1 1
15 7958 2 1 11 TYR CA C 7.898 -4.547 -1.497 1.00 . B B . 10 TYR CA 1 1
15 7959 2 1 11 TYR CB C 8.390 -3.726 -2.695 1.00 . B B . 10 TYR CB 1 1
15 7960 2 1 11 TYR CD1 C 9.515 -1.983 -1.213 1.00 . B B . 10 TYR CD1 1 1
15 7961 2 1 11 TYR CD2 C 10.647 -2.794 -3.205 1.00 . B B . 10 TYR CD2 1 1
15 7962 2 1 11 TYR CE1 C 10.605 -1.150 -0.921 1.00 . B B . 10 TYR CE1 1 1
15 7963 2 1 11 TYR CE2 C 11.738 -1.973 -2.915 1.00 . B B . 10 TYR CE2 1 1
15 7964 2 1 11 TYR CG C 9.533 -2.800 -2.361 1.00 . B B . 10 TYR CG 1 1
15 7965 2 1 11 TYR CZ C 11.717 -1.125 -1.793 1.00 . B B . 10 TYR CZ 1 1
15 7966 2 1 11 TYR H H 7.093 -6.372 -2.031 1.00 . B B . 10 TYR H 1 1
15 7967 2 1 11 TYR HA H 8.509 -4.339 -0.621 1.00 . B B . 10 TYR HA 1 1
15 7968 2 1 11 TYR HB2 H 8.697 -4.391 -3.502 1.00 . B B . 10 TYR HB2 1 1
15 7969 2 1 11 TYR HB3 H 7.571 -3.137 -3.100 1.00 . B B . 10 TYR HB3 1 1
15 7970 2 1 11 TYR HD1 H 8.669 -1.983 -0.549 1.00 . B B . 10 TYR HD1 1 1
15 7971 2 1 11 TYR HD2 H 10.666 -3.430 -4.072 1.00 . B B . 10 TYR HD2 1 1
15 7972 2 1 11 TYR HE1 H 10.583 -0.540 -0.036 1.00 . B B . 10 TYR HE1 1 1
15 7973 2 1 11 TYR HE2 H 12.605 -2.012 -3.544 1.00 . B B . 10 TYR HE2 1 1
15 7974 2 1 11 TYR HH H 12.708 0.162 -0.724 1.00 . B B . 10 TYR HH 1 1
15 7975 2 1 11 TYR N N 7.972 -5.963 -1.777 1.00 . B B . 10 TYR N 1 1
15 7976 2 1 11 TYR O O 5.510 -4.807 -1.629 1.00 . B B . 10 TYR O 1 1
15 7977 2 1 11 TYR OH O 12.777 -0.307 -1.560 1.00 . B B . 10 TYR OH 1 1
15 7978 2 1 12 GLU C C 5.698 -0.716 -0.415 1.00 . B B . 11 GLU C 1 1
15 7979 2 1 12 GLU CA C 5.154 -2.141 -0.607 1.00 . B B . 11 GLU CA 1 1
15 7980 2 1 12 GLU CB C 4.155 -2.626 0.452 1.00 . B B . 11 GLU CB 1 1
15 7981 2 1 12 GLU CD C 1.928 -1.505 0.935 1.00 . B B . 11 GLU CD 1 1
15 7982 2 1 12 GLU CG C 2.687 -2.462 0.026 1.00 . B B . 11 GLU CG 1 1
15 7983 2 1 12 GLU H H 7.145 -2.563 -0.169 1.00 . B B . 11 GLU H 1 1
15 7984 2 1 12 GLU HA H 4.712 -2.239 -1.598 1.00 . B B . 11 GLU HA 1 1
15 7985 2 1 12 GLU HB2 H 4.314 -3.690 0.607 1.00 . B B . 11 GLU HB2 1 1
15 7986 2 1 12 GLU HB3 H 4.365 -2.143 1.403 1.00 . B B . 11 GLU HB3 1 1
15 7987 2 1 12 GLU HG2 H 2.620 -2.124 -1.008 1.00 . B B . 11 GLU HG2 1 1
15 7988 2 1 12 GLU HG3 H 2.206 -3.440 0.073 1.00 . B B . 11 GLU HG3 1 1
15 7989 2 1 12 GLU N N 6.325 -2.980 -0.576 1.00 . B B . 11 GLU N 1 1
15 7990 2 1 12 GLU O O 5.852 -0.230 0.706 1.00 . B B . 11 GLU O 1 1
15 7991 2 1 12 GLU OE1 O 1.485 -1.962 2.003 1.00 . B B . 11 GLU OE1 1 1
15 7992 2 1 12 GLU OE2 O 1.810 -0.315 0.585 1.00 . B B . 11 GLU OE2 1 1
15 7993 2 1 13 VAL C C 6.421 2.296 -0.928 1.00 . B B . 12 VAL C 1 1
15 7994 2 1 13 VAL CA C 6.963 1.059 -1.641 1.00 . B B . 12 VAL CA 1 1
15 7995 2 1 13 VAL CB C 7.305 1.342 -3.123 1.00 . B B . 12 VAL CB 1 1
15 7996 2 1 13 VAL CG1 C 7.756 2.790 -3.372 1.00 . B B . 12 VAL CG1 1 1
15 7997 2 1 13 VAL CG2 C 8.435 0.394 -3.555 1.00 . B B . 12 VAL CG2 1 1
15 7998 2 1 13 VAL H H 5.901 -0.577 -2.414 1.00 . B B . 12 VAL H 1 1
15 7999 2 1 13 VAL HA H 7.897 0.806 -1.157 1.00 . B B . 12 VAL HA 1 1
15 8000 2 1 13 VAL HB H 6.427 1.158 -3.739 1.00 . B B . 12 VAL HB 1 1
15 8001 2 1 13 VAL HG11 H 8.014 2.943 -4.408 1.00 . B B . 12 VAL HG11 1 1
15 8002 2 1 13 VAL HG12 H 6.943 3.478 -3.151 1.00 . B B . 12 VAL HG12 1 1
15 8003 2 1 13 VAL HG13 H 8.621 3.018 -2.752 1.00 . B B . 12 VAL HG13 1 1
15 8004 2 1 13 VAL HG21 H 8.716 0.586 -4.584 1.00 . B B . 12 VAL HG21 1 1
15 8005 2 1 13 VAL HG22 H 9.310 0.544 -2.923 1.00 . B B . 12 VAL HG22 1 1
15 8006 2 1 13 VAL HG23 H 8.099 -0.637 -3.473 1.00 . B B . 12 VAL HG23 1 1
15 8007 2 1 13 VAL N N 6.090 -0.108 -1.543 1.00 . B B . 12 VAL N 1 1
15 8008 2 1 13 VAL O O 7.230 3.120 -0.515 1.00 . B B . 12 VAL O 1 1
15 8009 2 1 14 HIS C C 5.037 3.907 1.254 1.00 . B B . 13 HIS C 1 1
15 8010 2 1 14 HIS CA C 4.551 3.659 -0.175 1.00 . B B . 13 HIS CA 1 1
15 8011 2 1 14 HIS CB C 3.021 3.675 -0.238 1.00 . B B . 13 HIS CB 1 1
15 8012 2 1 14 HIS CD2 C 2.341 5.269 -2.120 1.00 . B B . 13 HIS CD2 1 1
15 8013 2 1 14 HIS CE1 C 1.690 3.830 -3.638 1.00 . B B . 13 HIS CE1 1 1
15 8014 2 1 14 HIS CG C 2.493 4.011 -1.604 1.00 . B B . 13 HIS CG 1 1
15 8015 2 1 14 HIS H H 4.467 1.744 -1.111 1.00 . B B . 13 HIS H 1 1
15 8016 2 1 14 HIS HA H 4.928 4.482 -0.773 1.00 . B B . 13 HIS HA 1 1
15 8017 2 1 14 HIS HB2 H 2.617 2.720 0.098 1.00 . B B . 13 HIS HB2 1 1
15 8018 2 1 14 HIS HB3 H 2.659 4.452 0.436 1.00 . B B . 13 HIS HB3 1 1
15 8019 2 1 14 HIS HD1 H 2.076 2.118 -2.490 1.00 . B B . 13 HIS HD1 1 1
15 8020 2 1 14 HIS HD2 H 2.575 6.195 -1.615 1.00 . B B . 13 HIS HD2 1 1
15 8021 2 1 14 HIS HE1 H 1.322 3.397 -4.554 1.00 . B B . 13 HIS HE1 1 1
15 8022 2 1 14 HIS N N 5.102 2.448 -0.764 1.00 . B B . 13 HIS N 1 1
15 8023 2 1 14 HIS ND1 N 2.075 3.124 -2.567 1.00 . B B . 13 HIS ND1 1 1
15 8024 2 1 14 HIS NE2 N 1.837 5.145 -3.415 1.00 . B B . 13 HIS NE2 1 1
15 8025 2 1 14 HIS O O 5.008 5.056 1.673 1.00 . B B . 13 HIS O 1 1
15 8026 2 1 15 HIS C C 7.540 3.141 3.423 1.00 . B B . 14 HIS C 1 1
15 8027 2 1 15 HIS CA C 6.011 2.982 3.345 1.00 . B B . 14 HIS CA 1 1
15 8028 2 1 15 HIS CB C 5.555 1.718 4.083 1.00 . B B . 14 HIS CB 1 1
15 8029 2 1 15 HIS CD2 C 3.411 0.726 3.144 1.00 . B B . 14 HIS CD2 1 1
15 8030 2 1 15 HIS CE1 C 1.921 1.963 4.167 1.00 . B B . 14 HIS CE1 1 1
15 8031 2 1 15 HIS CG C 4.068 1.547 4.013 1.00 . B B . 14 HIS CG 1 1
15 8032 2 1 15 HIS H H 5.548 1.969 1.535 1.00 . B B . 14 HIS H 1 1
15 8033 2 1 15 HIS HA H 5.555 3.845 3.831 1.00 . B B . 14 HIS HA 1 1
15 8034 2 1 15 HIS HB2 H 6.033 0.851 3.628 1.00 . B B . 14 HIS HB2 1 1
15 8035 2 1 15 HIS HB3 H 5.847 1.755 5.127 1.00 . B B . 14 HIS HB3 1 1
15 8036 2 1 15 HIS HD1 H 3.301 3.041 5.328 1.00 . B B . 14 HIS HD1 1 1
15 8037 2 1 15 HIS HD2 H 3.879 0.040 2.456 1.00 . B B . 14 HIS HD2 1 1
15 8038 2 1 15 HIS HE1 H 0.983 2.411 4.459 1.00 . B B . 14 HIS HE1 1 1
15 8039 2 1 15 HIS N N 5.519 2.884 1.969 1.00 . B B . 14 HIS N 1 1
15 8040 2 1 15 HIS ND1 N 3.122 2.316 4.648 1.00 . B B . 14 HIS ND1 1 1
15 8041 2 1 15 HIS NE2 N 2.050 1.003 3.241 1.00 . B B . 14 HIS NE2 1 1
15 8042 2 1 15 HIS O O 8.098 3.150 4.515 1.00 . B B . 14 HIS O 1 1
15 8043 2 1 16 GLN C C 10.260 3.739 1.008 1.00 . B B . 15 GLN C 1 1
15 8044 2 1 16 GLN CA C 9.647 2.911 2.141 1.00 . B B . 15 GLN CA 1 1
15 8045 2 1 16 GLN CB C 9.788 1.415 1.830 1.00 . B B . 15 GLN CB 1 1
15 8046 2 1 16 GLN CD C 9.625 -0.950 2.647 1.00 . B B . 15 GLN CD 1 1
15 8047 2 1 16 GLN CG C 9.474 0.513 3.027 1.00 . B B . 15 GLN CG 1 1
15 8048 2 1 16 GLN H H 7.721 3.248 1.414 1.00 . B B . 15 GLN H 1 1
15 8049 2 1 16 GLN HA H 10.170 3.150 3.062 1.00 . B B . 15 GLN HA 1 1
15 8050 2 1 16 GLN HB2 H 9.126 1.158 1.002 1.00 . B B . 15 GLN HB2 1 1
15 8051 2 1 16 GLN HB3 H 10.804 1.212 1.512 1.00 . B B . 15 GLN HB3 1 1
15 8052 2 1 16 GLN HE21 H 11.505 -1.036 3.415 1.00 . B B . 15 GLN HE21 1 1
15 8053 2 1 16 GLN HE22 H 10.915 -2.515 2.689 1.00 . B B . 15 GLN HE22 1 1
15 8054 2 1 16 GLN HG2 H 10.143 0.756 3.853 1.00 . B B . 15 GLN HG2 1 1
15 8055 2 1 16 GLN HG3 H 8.451 0.667 3.358 1.00 . B B . 15 GLN HG3 1 1
15 8056 2 1 16 GLN N N 8.230 3.202 2.280 1.00 . B B . 15 GLN N 1 1
15 8057 2 1 16 GLN NE2 N 10.771 -1.549 2.948 1.00 . B B . 15 GLN NE2 1 1
15 8058 2 1 16 GLN O O 9.548 4.423 0.285 1.00 . B B . 15 GLN O 1 1
15 8059 2 1 16 GLN OE1 O 8.720 -1.530 2.057 1.00 . B B . 15 GLN OE1 1 1
15 8060 2 1 17 LYS C C 12.172 3.425 -1.605 1.00 . B B . 16 LYS C 1 1
15 8061 2 1 17 LYS CA C 12.273 4.275 -0.318 1.00 . B B . 16 LYS CA 1 1
15 8062 2 1 17 LYS CB C 13.719 4.612 0.078 1.00 . B B . 16 LYS CB 1 1
15 8063 2 1 17 LYS CD C 16.015 3.486 0.358 1.00 . B B . 16 LYS CD 1 1
15 8064 2 1 17 LYS CE C 16.450 3.646 -1.099 1.00 . B B . 16 LYS CE 1 1
15 8065 2 1 17 LYS CG C 14.500 3.371 0.539 1.00 . B B . 16 LYS CG 1 1
15 8066 2 1 17 LYS H H 12.126 3.066 1.427 1.00 . B B . 16 LYS H 1 1
15 8067 2 1 17 LYS HA H 11.781 5.220 -0.532 1.00 . B B . 16 LYS HA 1 1
15 8068 2 1 17 LYS HB2 H 14.206 5.081 -0.776 1.00 . B B . 16 LYS HB2 1 1
15 8069 2 1 17 LYS HB3 H 13.707 5.342 0.887 1.00 . B B . 16 LYS HB3 1 1
15 8070 2 1 17 LYS HD2 H 16.394 4.317 0.945 1.00 . B B . 16 LYS HD2 1 1
15 8071 2 1 17 LYS HD3 H 16.457 2.577 0.749 1.00 . B B . 16 LYS HD3 1 1
15 8072 2 1 17 LYS HE2 H 16.106 4.603 -1.491 1.00 . B B . 16 LYS HE2 1 1
15 8073 2 1 17 LYS HE3 H 17.539 3.618 -1.147 1.00 . B B . 16 LYS HE3 1 1
15 8074 2 1 17 LYS HG2 H 14.301 3.204 1.594 1.00 . B B . 16 LYS HG2 1 1
15 8075 2 1 17 LYS HG3 H 14.154 2.494 -0.004 1.00 . B B . 16 LYS HG3 1 1
15 8076 2 1 17 LYS HZ1 H 16.304 2.616 -2.862 1.00 . B B . 16 LYS HZ1 1 1
15 8077 2 1 17 LYS HZ2 H 16.153 1.668 -1.531 1.00 . B B . 16 LYS HZ2 1 1
15 8078 2 1 17 LYS HZ3 H 14.908 2.642 -1.996 1.00 . B B . 16 LYS HZ3 1 1
15 8079 2 1 17 LYS N N 11.579 3.653 0.812 1.00 . B B . 16 LYS N 1 1
15 8080 2 1 17 LYS NZ N 15.914 2.563 -1.932 1.00 . B B . 16 LYS NZ 1 1
15 8081 2 1 17 LYS O O 13.050 3.476 -2.465 1.00 . B B . 16 LYS O 1 1
15 8082 2 1 18 NH2 HN1 H 11.020 2.068 -2.590 1.00 . B B . 17 NH2 HN1 1 1
15 8083 2 1 18 NH2 HN2 H 10.395 2.606 -1.046 1.00 . B B . 17 NH2 HN2 1 1
15 8084 2 1 18 NH2 N N 11.124 2.611 -1.745 1.00 . B B . 17 NH2 N 1 1
15 8085 3 2 1 ZN ZN ZN 0.614 -0.169 2.329 1.00 . C A . 101 ZN ZN 1 1
16 8086 1 1 1 ACE C C -13.283 -4.236 -2.235 1.00 . A A . 0 ACE C 1 1
16 8087 1 1 1 ACE CH3 C -11.949 -4.477 -1.555 1.00 . A A . 0 ACE CH3 1 1
16 8088 1 1 1 ACE H1 H -11.878 -3.855 -0.664 1.00 . A A . 0 ACE H1 1 1
16 8089 1 1 1 ACE H2 H -11.879 -5.525 -1.275 1.00 . A A . 0 ACE H2 1 1
16 8090 1 1 1 ACE H3 H -11.132 -4.221 -2.226 1.00 . A A . 0 ACE H3 1 1
16 8091 1 1 1 ACE O O -13.319 -3.821 -3.389 1.00 . A A . 0 ACE O 1 1
16 8092 1 1 2 ASP C C -16.279 -2.947 -1.277 1.00 . A A . 1 ASP C 1 1
16 8093 1 1 2 ASP CA C -15.740 -4.222 -1.927 1.00 . A A . 1 ASP CA 1 1
16 8094 1 1 2 ASP CB C -16.594 -5.439 -1.577 1.00 . A A . 1 ASP CB 1 1
16 8095 1 1 2 ASP CG C -17.903 -5.407 -2.341 1.00 . A A . 1 ASP CG 1 1
16 8096 1 1 2 ASP H H -14.248 -4.796 -0.550 1.00 . A A . 1 ASP H 1 1
16 8097 1 1 2 ASP HA H -15.756 -4.094 -3.009 1.00 . A A . 1 ASP HA 1 1
16 8098 1 1 2 ASP HB2 H -16.045 -6.344 -1.814 1.00 . A A . 1 ASP HB2 1 1
16 8099 1 1 2 ASP HB3 H -16.825 -5.433 -0.508 1.00 . A A . 1 ASP HB3 1 1
16 8100 1 1 2 ASP N N -14.370 -4.473 -1.498 1.00 . A A . 1 ASP N 1 1
16 8101 1 1 2 ASP O O -15.850 -2.591 -0.182 1.00 . A A . 1 ASP O 1 1
16 8102 1 1 2 ASP OD1 O -18.808 -4.731 -1.916 1.00 . A A . 1 ASP OD1 1 1
16 8103 1 1 2 ASP OD2 O -17.939 -6.091 -3.430 1.00 . A A . 1 ASP OD2 1 1
16 8104 1 1 3 ALA C C -17.587 -0.370 -0.369 1.00 . A A . 2 ALA C 1 1
16 8105 1 1 3 ALA CA C -17.604 -0.883 -1.807 1.00 . A A . 2 ALA CA 1 1
16 8106 1 1 3 ALA CB C -18.975 -0.640 -2.450 1.00 . A A . 2 ALA CB 1 1
16 8107 1 1 3 ALA H H -17.575 -2.730 -2.796 1.00 . A A . 2 ALA H 1 1
16 8108 1 1 3 ALA HA H -16.876 -0.311 -2.366 1.00 . A A . 2 ALA HA 1 1
16 8109 1 1 3 ALA HB1 H -19.292 0.383 -2.253 1.00 . A A . 2 ALA HB1 1 1
16 8110 1 1 3 ALA HB2 H -18.914 -0.784 -3.527 1.00 . A A . 2 ALA HB2 1 1
16 8111 1 1 3 ALA HB3 H -19.716 -1.323 -2.035 1.00 . A A . 2 ALA HB3 1 1
16 8112 1 1 3 ALA N N -17.217 -2.281 -1.966 1.00 . A A . 2 ALA N 1 1
16 8113 1 1 3 ALA O O -16.839 0.557 -0.080 1.00 . A A . 2 ALA O 1 1
16 8114 1 1 4 GLU C C -17.313 -0.316 2.696 1.00 . A A . 3 GLU C 1 1
16 8115 1 1 4 GLU CA C -18.591 -0.592 1.902 1.00 . A A . 3 GLU CA 1 1
16 8116 1 1 4 GLU CB C -19.448 -1.658 2.592 1.00 . A A . 3 GLU CB 1 1
16 8117 1 1 4 GLU CD C -19.748 -4.119 2.953 1.00 . A A . 3 GLU CD 1 1
16 8118 1 1 4 GLU CG C -18.751 -3.024 2.641 1.00 . A A . 3 GLU CG 1 1
16 8119 1 1 4 GLU H H -18.941 -1.759 0.175 1.00 . A A . 3 GLU H 1 1
16 8120 1 1 4 GLU HA H -19.164 0.327 1.900 1.00 . A A . 3 GLU HA 1 1
16 8121 1 1 4 GLU HB2 H -19.679 -1.339 3.608 1.00 . A A . 3 GLU HB2 1 1
16 8122 1 1 4 GLU HB3 H -20.387 -1.750 2.046 1.00 . A A . 3 GLU HB3 1 1
16 8123 1 1 4 GLU HG2 H -18.288 -3.254 1.680 1.00 . A A . 3 GLU HG2 1 1
16 8124 1 1 4 GLU HG3 H -17.979 -3.005 3.409 1.00 . A A . 3 GLU HG3 1 1
16 8125 1 1 4 GLU N N -18.381 -0.988 0.511 1.00 . A A . 3 GLU N 1 1
16 8126 1 1 4 GLU O O -17.314 0.618 3.491 1.00 . A A . 3 GLU O 1 1
16 8127 1 1 4 GLU OE1 O -20.441 -4.560 2.028 1.00 . A A . 3 GLU OE1 1 1
16 8128 1 1 4 GLU OE2 O -19.809 -4.512 4.138 1.00 . A A . 3 GLU OE2 1 1
16 8129 1 1 5 PHE C C -13.846 -0.448 2.163 1.00 . A A . 4 PHE C 1 1
16 8130 1 1 5 PHE CA C -14.945 -0.899 3.127 1.00 . A A . 4 PHE CA 1 1
16 8131 1 1 5 PHE CB C -14.566 -2.185 3.854 1.00 . A A . 4 PHE CB 1 1
16 8132 1 1 5 PHE CD1 C -15.056 -4.148 2.348 1.00 . A A . 4 PHE CD1 1 1
16 8133 1 1 5 PHE CD2 C -12.739 -3.536 2.755 1.00 . A A . 4 PHE CD2 1 1
16 8134 1 1 5 PHE CE1 C -14.635 -5.237 1.571 1.00 . A A . 4 PHE CE1 1 1
16 8135 1 1 5 PHE CE2 C -12.314 -4.617 1.963 1.00 . A A . 4 PHE CE2 1 1
16 8136 1 1 5 PHE CG C -14.110 -3.315 2.962 1.00 . A A . 4 PHE CG 1 1
16 8137 1 1 5 PHE CZ C -13.264 -5.477 1.385 1.00 . A A . 4 PHE CZ 1 1
16 8138 1 1 5 PHE H H -16.310 -1.840 1.812 1.00 . A A . 4 PHE H 1 1
16 8139 1 1 5 PHE HA H -15.036 -0.125 3.880 1.00 . A A . 4 PHE HA 1 1
16 8140 1 1 5 PHE HB2 H -13.770 -1.960 4.562 1.00 . A A . 4 PHE HB2 1 1
16 8141 1 1 5 PHE HB3 H -15.431 -2.514 4.430 1.00 . A A . 4 PHE HB3 1 1
16 8142 1 1 5 PHE HD1 H -16.106 -3.947 2.484 1.00 . A A . 4 PHE HD1 1 1
16 8143 1 1 5 PHE HD2 H -12.020 -2.868 3.208 1.00 . A A . 4 PHE HD2 1 1
16 8144 1 1 5 PHE HE1 H -15.363 -5.890 1.116 1.00 . A A . 4 PHE HE1 1 1
16 8145 1 1 5 PHE HE2 H -11.260 -4.789 1.801 1.00 . A A . 4 PHE HE2 1 1
16 8146 1 1 5 PHE HZ H -12.945 -6.311 0.779 1.00 . A A . 4 PHE HZ 1 1
16 8147 1 1 5 PHE N N -16.237 -1.080 2.472 1.00 . A A . 4 PHE N 1 1
16 8148 1 1 5 PHE O O -12.807 0.016 2.628 1.00 . A A . 4 PHE O 1 1
16 8149 1 1 6 ARG C C -13.627 1.548 -0.335 1.00 . A A . 5 ARG C 1 1
16 8150 1 1 6 ARG CA C -13.299 0.062 -0.214 1.00 . A A . 5 ARG CA 1 1
16 8151 1 1 6 ARG CB C -13.481 -0.773 -1.482 1.00 . A A . 5 ARG CB 1 1
16 8152 1 1 6 ARG CD C -11.150 0.016 -2.318 1.00 . A A . 5 ARG CD 1 1
16 8153 1 1 6 ARG CG C -12.601 -0.365 -2.665 1.00 . A A . 5 ARG CG 1 1
16 8154 1 1 6 ARG CZ C -11.060 2.443 -2.885 1.00 . A A . 5 ARG CZ 1 1
16 8155 1 1 6 ARG H H -14.967 -0.939 0.544 1.00 . A A . 5 ARG H 1 1
16 8156 1 1 6 ARG HA H -12.260 -0.009 0.073 1.00 . A A . 5 ARG HA 1 1
16 8157 1 1 6 ARG HB2 H -13.230 -1.797 -1.216 1.00 . A A . 5 ARG HB2 1 1
16 8158 1 1 6 ARG HB3 H -14.523 -0.745 -1.797 1.00 . A A . 5 ARG HB3 1 1
16 8159 1 1 6 ARG HD2 H -10.787 -0.599 -1.494 1.00 . A A . 5 ARG HD2 1 1
16 8160 1 1 6 ARG HD3 H -10.528 -0.191 -3.182 1.00 . A A . 5 ARG HD3 1 1
16 8161 1 1 6 ARG HE H -10.841 1.682 -1.022 1.00 . A A . 5 ARG HE 1 1
16 8162 1 1 6 ARG HG2 H -12.576 -1.204 -3.357 1.00 . A A . 5 ARG HG2 1 1
16 8163 1 1 6 ARG HG3 H -13.087 0.462 -3.174 1.00 . A A . 5 ARG HG3 1 1
16 8164 1 1 6 ARG HH11 H -11.339 1.249 -4.511 1.00 . A A . 5 ARG HH11 1 1
16 8165 1 1 6 ARG HH12 H -11.298 2.964 -4.838 1.00 . A A . 5 ARG HH12 1 1
16 8166 1 1 6 ARG HH21 H -10.821 3.930 -1.515 1.00 . A A . 5 ARG HH21 1 1
16 8167 1 1 6 ARG HH22 H -11.017 4.453 -3.173 1.00 . A A . 5 ARG HH22 1 1
16 8168 1 1 6 ARG N N -14.100 -0.523 0.847 1.00 . A A . 5 ARG N 1 1
16 8169 1 1 6 ARG NE N -10.998 1.444 -1.990 1.00 . A A . 5 ARG NE 1 1
16 8170 1 1 6 ARG NH1 N -11.238 2.199 -4.183 1.00 . A A . 5 ARG NH1 1 1
16 8171 1 1 6 ARG NH2 N -10.953 3.710 -2.492 1.00 . A A . 5 ARG NH2 1 1
16 8172 1 1 6 ARG O O -14.105 2.048 -1.349 1.00 . A A . 5 ARG O 1 1
16 8173 1 1 7 ARG C C -12.666 4.553 0.467 1.00 . A A . 6 ARG C 1 1
16 8174 1 1 7 ARG CA C -13.724 3.607 1.027 1.00 . A A . 6 ARG CA 1 1
16 8175 1 1 7 ARG CB C -13.908 3.741 2.546 1.00 . A A . 6 ARG CB 1 1
16 8176 1 1 7 ARG CD C -16.495 3.583 2.657 1.00 . A A . 6 ARG CD 1 1
16 8177 1 1 7 ARG CG C -15.143 3.013 3.103 1.00 . A A . 6 ARG CG 1 1
16 8178 1 1 7 ARG CZ C -17.515 3.817 0.373 1.00 . A A . 6 ARG CZ 1 1
16 8179 1 1 7 ARG H H -12.954 1.745 1.543 1.00 . A A . 6 ARG H 1 1
16 8180 1 1 7 ARG HA H -14.661 3.824 0.526 1.00 . A A . 6 ARG HA 1 1
16 8181 1 1 7 ARG HB2 H -13.041 3.286 3.024 1.00 . A A . 6 ARG HB2 1 1
16 8182 1 1 7 ARG HB3 H -13.953 4.793 2.825 1.00 . A A . 6 ARG HB3 1 1
16 8183 1 1 7 ARG HD2 H -17.251 3.256 3.368 1.00 . A A . 6 ARG HD2 1 1
16 8184 1 1 7 ARG HD3 H -16.450 4.668 2.684 1.00 . A A . 6 ARG HD3 1 1
16 8185 1 1 7 ARG HE H -16.767 2.116 1.157 1.00 . A A . 6 ARG HE 1 1
16 8186 1 1 7 ARG HG2 H -15.092 1.956 2.845 1.00 . A A . 6 ARG HG2 1 1
16 8187 1 1 7 ARG HG3 H -15.101 3.084 4.189 1.00 . A A . 6 ARG HG3 1 1
16 8188 1 1 7 ARG HH11 H -17.495 5.608 1.347 1.00 . A A . 6 ARG HH11 1 1
16 8189 1 1 7 ARG HH12 H -18.239 5.618 -0.238 1.00 . A A . 6 ARG HH12 1 1
16 8190 1 1 7 ARG HH21 H -17.694 2.224 -0.878 1.00 . A A . 6 ARG HH21 1 1
16 8191 1 1 7 ARG HH22 H -18.352 3.729 -1.479 1.00 . A A . 6 ARG HH22 1 1
16 8192 1 1 7 ARG N N -13.366 2.239 0.768 1.00 . A A . 6 ARG N 1 1
16 8193 1 1 7 ARG NE N -16.910 3.101 1.334 1.00 . A A . 6 ARG NE 1 1
16 8194 1 1 7 ARG NH1 N -17.765 5.122 0.503 1.00 . A A . 6 ARG NH1 1 1
16 8195 1 1 7 ARG NH2 N -17.885 3.208 -0.752 1.00 . A A . 6 ARG NH2 1 1
16 8196 1 1 7 ARG O O -11.489 4.214 0.357 1.00 . A A . 6 ARG O 1 1
16 8197 1 1 8 ASP C C -11.746 7.750 0.634 1.00 . A A . 7 ASP C 1 1
16 8198 1 1 8 ASP CA C -12.363 6.849 -0.447 1.00 . A A . 7 ASP CA 1 1
16 8199 1 1 8 ASP CB C -13.333 7.660 -1.308 1.00 . A A . 7 ASP CB 1 1
16 8200 1 1 8 ASP CG C -12.651 8.812 -2.035 1.00 . A A . 7 ASP CG 1 1
16 8201 1 1 8 ASP H H -14.119 5.924 0.249 1.00 . A A . 7 ASP H 1 1
16 8202 1 1 8 ASP HA H -11.569 6.447 -1.080 1.00 . A A . 7 ASP HA 1 1
16 8203 1 1 8 ASP HB2 H -13.802 7.000 -2.033 1.00 . A A . 7 ASP HB2 1 1
16 8204 1 1 8 ASP HB3 H -14.115 8.061 -0.662 1.00 . A A . 7 ASP HB3 1 1
16 8205 1 1 8 ASP N N -13.133 5.749 0.112 1.00 . A A . 7 ASP N 1 1
16 8206 1 1 8 ASP O O -10.956 8.636 0.322 1.00 . A A . 7 ASP O 1 1
16 8207 1 1 8 ASP OD1 O -11.762 8.526 -2.874 1.00 . A A . 7 ASP OD1 1 1
16 8208 1 1 8 ASP OD2 O -12.993 9.964 -1.736 1.00 . A A . 7 ASP OD2 1 1
16 8209 1 1 9 SER C C -10.286 8.556 3.314 1.00 . A A . 8 SER C 1 1
16 8210 1 1 9 SER CA C -11.783 8.466 2.992 1.00 . A A . 8 SER CA 1 1
16 8211 1 1 9 SER CB C -12.569 8.043 4.232 1.00 . A A . 8 SER CB 1 1
16 8212 1 1 9 SER H H -12.803 6.847 2.100 1.00 . A A . 8 SER H 1 1
16 8213 1 1 9 SER HA H -12.122 9.460 2.705 1.00 . A A . 8 SER HA 1 1
16 8214 1 1 9 SER HB2 H -12.273 7.041 4.544 1.00 . A A . 8 SER HB2 1 1
16 8215 1 1 9 SER HB3 H -12.386 8.746 5.045 1.00 . A A . 8 SER HB3 1 1
16 8216 1 1 9 SER HG H -14.440 7.833 4.713 1.00 . A A . 8 SER HG 1 1
16 8217 1 1 9 SER N N -12.116 7.558 1.902 1.00 . A A . 8 SER N 1 1
16 8218 1 1 9 SER O O -9.900 9.449 4.055 1.00 . A A . 8 SER O 1 1
16 8219 1 1 9 SER OG O -13.940 8.050 3.919 1.00 . A A . 8 SER OG 1 1
16 8220 1 1 10 GLY C C -7.272 7.675 1.748 1.00 . A A . 9 GLY C 1 1
16 8221 1 1 10 GLY CA C -8.021 7.614 3.076 1.00 . A A . 9 GLY CA 1 1
16 8222 1 1 10 GLY H H -9.762 7.017 2.084 1.00 . A A . 9 GLY H 1 1
16 8223 1 1 10 GLY HA2 H -7.711 8.437 3.713 1.00 . A A . 9 GLY HA2 1 1
16 8224 1 1 10 GLY HA3 H -7.828 6.682 3.603 1.00 . A A . 9 GLY HA3 1 1
16 8225 1 1 10 GLY N N -9.436 7.673 2.779 1.00 . A A . 9 GLY N 1 1
16 8226 1 1 10 GLY O O -7.239 8.717 1.108 1.00 . A A . 9 GLY O 1 1
16 8227 1 1 11 TYR C C -5.671 4.391 1.105 1.00 . A A . 10 TYR C 1 1
16 8228 1 1 11 TYR CA C -6.714 5.252 1.804 1.00 . A A . 10 TYR CA 1 1
16 8229 1 1 11 TYR CB C -8.116 4.662 1.583 1.00 . A A . 10 TYR CB 1 1
16 8230 1 1 11 TYR CD1 C -8.212 3.289 3.703 1.00 . A A . 10 TYR CD1 1 1
16 8231 1 1 11 TYR CD2 C -10.127 4.649 3.089 1.00 . A A . 10 TYR CD2 1 1
16 8232 1 1 11 TYR CE1 C -8.893 2.828 4.836 1.00 . A A . 10 TYR CE1 1 1
16 8233 1 1 11 TYR CE2 C -10.815 4.196 4.217 1.00 . A A . 10 TYR CE2 1 1
16 8234 1 1 11 TYR CG C -8.825 4.201 2.830 1.00 . A A . 10 TYR CG 1 1
16 8235 1 1 11 TYR CZ C -10.211 3.264 5.087 1.00 . A A . 10 TYR CZ 1 1
16 8236 1 1 11 TYR H H -6.304 6.640 0.340 1.00 . A A . 10 TYR H 1 1
16 8237 1 1 11 TYR HA H -6.478 5.273 2.861 1.00 . A A . 10 TYR HA 1 1
16 8238 1 1 11 TYR HB2 H -8.753 5.380 1.069 1.00 . A A . 10 TYR HB2 1 1
16 8239 1 1 11 TYR HB3 H -8.034 3.813 0.916 1.00 . A A . 10 TYR HB3 1 1
16 8240 1 1 11 TYR HD1 H -7.227 2.920 3.492 1.00 . A A . 10 TYR HD1 1 1
16 8241 1 1 11 TYR HD2 H -10.603 5.345 2.421 1.00 . A A . 10 TYR HD2 1 1
16 8242 1 1 11 TYR HE1 H -8.402 2.144 5.505 1.00 . A A . 10 TYR HE1 1 1
16 8243 1 1 11 TYR HE2 H -11.795 4.587 4.420 1.00 . A A . 10 TYR HE2 1 1
16 8244 1 1 11 TYR HH H -10.363 2.227 6.728 1.00 . A A . 10 TYR HH 1 1
16 8245 1 1 11 TYR N N -6.665 6.590 1.273 1.00 . A A . 10 TYR N 1 1
16 8246 1 1 11 TYR O O -5.231 4.693 -0.003 1.00 . A A . 10 TYR O 1 1
16 8247 1 1 11 TYR OH O -10.888 2.821 6.183 1.00 . A A . 10 TYR OH 1 1
16 8248 1 1 12 GLU C C -5.641 0.902 1.823 1.00 . A A . 11 GLU C 1 1
16 8249 1 1 12 GLU CA C -4.926 2.052 1.109 1.00 . A A . 11 GLU CA 1 1
16 8250 1 1 12 GLU CB C -3.402 1.979 1.178 1.00 . A A . 11 GLU CB 1 1
16 8251 1 1 12 GLU CD C -1.433 0.491 0.565 1.00 . A A . 11 GLU CD 1 1
16 8252 1 1 12 GLU CG C -2.870 0.878 0.252 1.00 . A A . 11 GLU CG 1 1
16 8253 1 1 12 GLU H H -5.678 3.159 2.700 1.00 . A A . 11 GLU H 1 1
16 8254 1 1 12 GLU HA H -5.244 2.069 0.069 1.00 . A A . 11 GLU HA 1 1
16 8255 1 1 12 GLU HB2 H -2.979 2.936 0.872 1.00 . A A . 11 GLU HB2 1 1
16 8256 1 1 12 GLU HB3 H -3.109 1.792 2.211 1.00 . A A . 11 GLU HB3 1 1
16 8257 1 1 12 GLU HG2 H -3.491 -0.012 0.354 1.00 . A A . 11 GLU HG2 1 1
16 8258 1 1 12 GLU HG3 H -2.922 1.212 -0.782 1.00 . A A . 11 GLU HG3 1 1
16 8259 1 1 12 GLU N N -5.373 3.265 1.747 1.00 . A A . 11 GLU N 1 1
16 8260 1 1 12 GLU O O -5.121 0.301 2.766 1.00 . A A . 11 GLU O 1 1
16 8261 1 1 12 GLU OE1 O -0.742 1.241 1.274 1.00 . A A . 11 GLU OE1 1 1
16 8262 1 1 12 GLU OE2 O -1.034 -0.601 0.121 1.00 . A A . 11 GLU OE2 1 1
16 8263 1 1 13 VAL C C -7.275 -1.724 1.991 1.00 . A A . 12 VAL C 1 1
16 8264 1 1 13 VAL CA C -7.820 -0.298 1.961 1.00 . A A . 12 VAL CA 1 1
16 8265 1 1 13 VAL CB C -9.184 -0.220 1.235 1.00 . A A . 12 VAL CB 1 1
16 8266 1 1 13 VAL CG1 C -10.122 -1.388 1.587 1.00 . A A . 12 VAL CG1 1 1
16 8267 1 1 13 VAL CG2 C -9.891 1.088 1.616 1.00 . A A . 12 VAL CG2 1 1
16 8268 1 1 13 VAL H H -7.218 1.184 0.596 1.00 . A A . 12 VAL H 1 1
16 8269 1 1 13 VAL HA H -7.979 0.013 2.989 1.00 . A A . 12 VAL HA 1 1
16 8270 1 1 13 VAL HB H -9.017 -0.238 0.157 1.00 . A A . 12 VAL HB 1 1
16 8271 1 1 13 VAL HG11 H -11.085 -1.269 1.111 1.00 . A A . 12 VAL HG11 1 1
16 8272 1 1 13 VAL HG12 H -9.715 -2.327 1.222 1.00 . A A . 12 VAL HG12 1 1
16 8273 1 1 13 VAL HG13 H -10.260 -1.435 2.667 1.00 . A A . 12 VAL HG13 1 1
16 8274 1 1 13 VAL HG21 H -10.116 1.094 2.683 1.00 . A A . 12 VAL HG21 1 1
16 8275 1 1 13 VAL HG22 H -9.253 1.930 1.376 1.00 . A A . 12 VAL HG22 1 1
16 8276 1 1 13 VAL HG23 H -10.809 1.195 1.049 1.00 . A A . 12 VAL HG23 1 1
16 8277 1 1 13 VAL N N -6.877 0.643 1.375 1.00 . A A . 12 VAL N 1 1
16 8278 1 1 13 VAL O O -7.755 -2.502 2.806 1.00 . A A . 12 VAL O 1 1
16 8279 1 1 14 HIS C C -5.102 -3.770 2.572 1.00 . A A . 13 HIS C 1 1
16 8280 1 1 14 HIS CA C -5.728 -3.435 1.217 1.00 . A A . 13 HIS CA 1 1
16 8281 1 1 14 HIS CB C -4.701 -3.651 0.105 1.00 . A A . 13 HIS CB 1 1
16 8282 1 1 14 HIS CD2 C -4.599 -2.937 -2.350 1.00 . A A . 13 HIS CD2 1 1
16 8283 1 1 14 HIS CE1 C -6.655 -3.376 -2.969 1.00 . A A . 13 HIS CE1 1 1
16 8284 1 1 14 HIS CG C -5.258 -3.467 -1.278 1.00 . A A . 13 HIS CG 1 1
16 8285 1 1 14 HIS H H -5.896 -1.423 0.513 1.00 . A A . 13 HIS H 1 1
16 8286 1 1 14 HIS HA H -6.570 -4.107 1.063 1.00 . A A . 13 HIS HA 1 1
16 8287 1 1 14 HIS HB2 H -3.876 -2.954 0.253 1.00 . A A . 13 HIS HB2 1 1
16 8288 1 1 14 HIS HB3 H -4.310 -4.667 0.178 1.00 . A A . 13 HIS HB3 1 1
16 8289 1 1 14 HIS HD1 H -7.273 -4.155 -1.123 1.00 . A A . 13 HIS HD1 1 1
16 8290 1 1 14 HIS HD2 H -3.574 -2.595 -2.358 1.00 . A A . 13 HIS HD2 1 1
16 8291 1 1 14 HIS HE1 H -7.547 -3.483 -3.563 1.00 . A A . 13 HIS HE1 1 1
16 8292 1 1 14 HIS N N -6.276 -2.086 1.175 1.00 . A A . 13 HIS N 1 1
16 8293 1 1 14 HIS ND1 N -6.540 -3.750 -1.689 1.00 . A A . 13 HIS ND1 1 1
16 8294 1 1 14 HIS NE2 N -5.500 -2.869 -3.418 1.00 . A A . 13 HIS NE2 1 1
16 8295 1 1 14 HIS O O -5.066 -4.944 2.923 1.00 . A A . 13 HIS O 1 1
16 8296 1 1 15 HIS C C -5.375 -2.847 5.720 1.00 . A A . 14 HIS C 1 1
16 8297 1 1 15 HIS CA C -4.231 -2.961 4.725 1.00 . A A . 14 HIS CA 1 1
16 8298 1 1 15 HIS CB C -3.165 -1.943 5.099 1.00 . A A . 14 HIS CB 1 1
16 8299 1 1 15 HIS CD2 C -1.436 -1.201 3.384 1.00 . A A . 14 HIS CD2 1 1
16 8300 1 1 15 HIS CE1 C -0.070 -2.903 3.438 1.00 . A A . 14 HIS CE1 1 1
16 8301 1 1 15 HIS CG C -1.915 -2.095 4.292 1.00 . A A . 14 HIS CG 1 1
16 8302 1 1 15 HIS H H -4.724 -1.816 3.004 1.00 . A A . 14 HIS H 1 1
16 8303 1 1 15 HIS HA H -3.804 -3.955 4.820 1.00 . A A . 14 HIS HA 1 1
16 8304 1 1 15 HIS HB2 H -3.581 -0.949 4.964 1.00 . A A . 14 HIS HB2 1 1
16 8305 1 1 15 HIS HB3 H -2.903 -2.064 6.150 1.00 . A A . 14 HIS HB3 1 1
16 8306 1 1 15 HIS HD1 H -1.144 -3.992 4.883 1.00 . A A . 14 HIS HD1 1 1
16 8307 1 1 15 HIS HD2 H -1.903 -0.261 3.138 1.00 . A A . 14 HIS HD2 1 1
16 8308 1 1 15 HIS HE1 H 0.755 -3.563 3.230 1.00 . A A . 14 HIS HE1 1 1
16 8309 1 1 15 HIS N N -4.664 -2.765 3.347 1.00 . A A . 14 HIS N 1 1
16 8310 1 1 15 HIS ND1 N -1.055 -3.165 4.310 1.00 . A A . 14 HIS ND1 1 1
16 8311 1 1 15 HIS NE2 N -0.260 -1.721 2.838 1.00 . A A . 14 HIS NE2 1 1
16 8312 1 1 15 HIS O O -5.288 -3.467 6.773 1.00 . A A . 14 HIS O 1 1
16 8313 1 1 16 GLN C C -8.210 -3.518 6.263 1.00 . A A . 15 GLN C 1 1
16 8314 1 1 16 GLN CA C -7.625 -2.104 6.253 1.00 . A A . 15 GLN CA 1 1
16 8315 1 1 16 GLN CB C -8.617 -1.057 5.746 1.00 . A A . 15 GLN CB 1 1
16 8316 1 1 16 GLN CD C -9.125 0.152 7.928 1.00 . A A . 15 GLN CD 1 1
16 8317 1 1 16 GLN CG C -9.677 -0.710 6.794 1.00 . A A . 15 GLN CG 1 1
16 8318 1 1 16 GLN H H -6.485 -1.567 4.565 1.00 . A A . 15 GLN H 1 1
16 8319 1 1 16 GLN HA H -7.312 -1.838 7.252 1.00 . A A . 15 GLN HA 1 1
16 8320 1 1 16 GLN HB2 H -8.084 -0.151 5.465 1.00 . A A . 15 GLN HB2 1 1
16 8321 1 1 16 GLN HB3 H -9.115 -1.447 4.866 1.00 . A A . 15 GLN HB3 1 1
16 8322 1 1 16 GLN HE21 H -8.498 -1.461 9.003 1.00 . A A . 15 GLN HE21 1 1
16 8323 1 1 16 GLN HE22 H -8.172 0.104 9.711 1.00 . A A . 15 GLN HE22 1 1
16 8324 1 1 16 GLN HG2 H -10.469 -0.159 6.293 1.00 . A A . 15 GLN HG2 1 1
16 8325 1 1 16 GLN HG3 H -10.099 -1.630 7.198 1.00 . A A . 15 GLN HG3 1 1
16 8326 1 1 16 GLN N N -6.441 -2.094 5.421 1.00 . A A . 15 GLN N 1 1
16 8327 1 1 16 GLN NE2 N -8.547 -0.455 8.958 1.00 . A A . 15 GLN NE2 1 1
16 8328 1 1 16 GLN O O -8.416 -4.083 7.328 1.00 . A A . 15 GLN O 1 1
16 8329 1 1 16 GLN OE1 O -9.200 1.372 7.882 1.00 . A A . 15 GLN OE1 1 1
16 8330 1 1 17 LYS C C -8.249 -6.014 3.557 1.00 . A A . 16 LYS C 1 1
16 8331 1 1 17 LYS CA C -8.756 -5.510 4.910 1.00 . A A . 16 LYS CA 1 1
16 8332 1 1 17 LYS CB C -10.278 -5.630 5.008 1.00 . A A . 16 LYS CB 1 1
16 8333 1 1 17 LYS CD C -12.193 -7.252 5.033 1.00 . A A . 16 LYS CD 1 1
16 8334 1 1 17 LYS CE C -12.517 -8.742 5.001 1.00 . A A . 16 LYS CE 1 1
16 8335 1 1 17 LYS CG C -10.685 -7.094 5.175 1.00 . A A . 16 LYS CG 1 1
16 8336 1 1 17 LYS H H -8.160 -3.601 4.246 1.00 . A A . 16 LYS H 1 1
16 8337 1 1 17 LYS HA H -8.301 -6.098 5.707 1.00 . A A . 16 LYS HA 1 1
16 8338 1 1 17 LYS HB2 H -10.650 -5.062 5.858 1.00 . A A . 16 LYS HB2 1 1
16 8339 1 1 17 LYS HB3 H -10.726 -5.215 4.108 1.00 . A A . 16 LYS HB3 1 1
16 8340 1 1 17 LYS HD2 H -12.691 -6.772 5.875 1.00 . A A . 16 LYS HD2 1 1
16 8341 1 1 17 LYS HD3 H -12.527 -6.793 4.102 1.00 . A A . 16 LYS HD3 1 1
16 8342 1 1 17 LYS HE2 H -12.056 -9.188 4.122 1.00 . A A . 16 LYS HE2 1 1
16 8343 1 1 17 LYS HE3 H -12.119 -9.216 5.897 1.00 . A A . 16 LYS HE3 1 1
16 8344 1 1 17 LYS HG2 H -10.196 -7.699 4.415 1.00 . A A . 16 LYS HG2 1 1
16 8345 1 1 17 LYS HG3 H -10.370 -7.451 6.155 1.00 . A A . 16 LYS HG3 1 1
16 8346 1 1 17 LYS HZ1 H -14.404 -8.571 5.754 1.00 . A A . 16 LYS HZ1 1 1
16 8347 1 1 17 LYS HZ2 H -14.341 -8.529 4.115 1.00 . A A . 16 LYS HZ2 1 1
16 8348 1 1 17 LYS HZ3 H -14.153 -9.962 4.906 1.00 . A A . 16 LYS HZ3 1 1
16 8349 1 1 17 LYS N N -8.370 -4.124 5.084 1.00 . A A . 16 LYS N 1 1
16 8350 1 1 17 LYS NZ N -13.961 -8.972 4.939 1.00 . A A . 16 LYS NZ 1 1
16 8351 1 1 17 LYS O O -8.399 -5.350 2.535 1.00 . A A . 16 LYS O 1 1
16 8352 1 1 18 NH2 HN1 H -7.329 -7.584 2.659 1.00 . A A . 17 NH2 HN1 1 1
16 8353 1 1 18 NH2 HN2 H -7.579 -7.745 4.385 1.00 . A A . 17 NH2 HN2 1 1
16 8354 1 1 18 NH2 N N -7.673 -7.212 3.533 1.00 . A A . 17 NH2 N 1 1
16 8355 2 1 1 ACE C C 10.292 7.462 -8.712 1.00 . B B . 0 ACE C 1 1
16 8356 2 1 1 ACE CH3 C 9.355 7.543 -7.525 1.00 . B B . 0 ACE CH3 1 1
16 8357 2 1 1 ACE H1 H 9.897 7.969 -6.684 1.00 . B B . 0 ACE H1 1 1
16 8358 2 1 1 ACE H2 H 8.502 8.180 -7.765 1.00 . B B . 0 ACE H2 1 1
16 8359 2 1 1 ACE H3 H 9.002 6.546 -7.266 1.00 . B B . 0 ACE H3 1 1
16 8360 2 1 1 ACE O O 10.172 8.256 -9.635 1.00 . B B . 0 ACE O 1 1
16 8361 2 1 2 ASP C C 12.789 4.962 -9.732 1.00 . B B . 1 ASP C 1 1
16 8362 2 1 2 ASP CA C 12.291 6.404 -9.674 1.00 . B B . 1 ASP CA 1 1
16 8363 2 1 2 ASP CB C 13.429 7.358 -9.286 1.00 . B B . 1 ASP CB 1 1
16 8364 2 1 2 ASP CG C 14.389 7.568 -10.438 1.00 . B B . 1 ASP CG 1 1
16 8365 2 1 2 ASP H H 11.275 5.890 -7.897 1.00 . B B . 1 ASP H 1 1
16 8366 2 1 2 ASP HA H 11.905 6.693 -10.651 1.00 . B B . 1 ASP HA 1 1
16 8367 2 1 2 ASP HB2 H 13.027 8.317 -8.964 1.00 . B B . 1 ASP HB2 1 1
16 8368 2 1 2 ASP HB3 H 13.991 6.913 -8.467 1.00 . B B . 1 ASP HB3 1 1
16 8369 2 1 2 ASP N N 11.232 6.518 -8.686 1.00 . B B . 1 ASP N 1 1
16 8370 2 1 2 ASP O O 12.917 4.319 -8.695 1.00 . B B . 1 ASP O 1 1
16 8371 2 1 2 ASP OD1 O 15.027 6.610 -10.841 1.00 . B B . 1 ASP OD1 1 1
16 8372 2 1 2 ASP OD2 O 14.453 8.738 -10.922 1.00 . B B . 1 ASP OD2 1 1
16 8373 2 1 3 ALA C C 14.685 2.581 -10.401 1.00 . B B . 2 ALA C 1 1
16 8374 2 1 3 ALA CA C 13.533 3.124 -11.251 1.00 . B B . 2 ALA CA 1 1
16 8375 2 1 3 ALA CB C 13.941 3.072 -12.722 1.00 . B B . 2 ALA CB 1 1
16 8376 2 1 3 ALA H H 13.058 5.129 -11.719 1.00 . B B . 2 ALA H 1 1
16 8377 2 1 3 ALA HA H 12.682 2.463 -11.104 1.00 . B B . 2 ALA HA 1 1
16 8378 2 1 3 ALA HB1 H 13.100 3.359 -13.350 1.00 . B B . 2 ALA HB1 1 1
16 8379 2 1 3 ALA HB2 H 14.781 3.746 -12.896 1.00 . B B . 2 ALA HB2 1 1
16 8380 2 1 3 ALA HB3 H 14.247 2.057 -12.972 1.00 . B B . 2 ALA HB3 1 1
16 8381 2 1 3 ALA N N 13.116 4.489 -10.942 1.00 . B B . 2 ALA N 1 1
16 8382 2 1 3 ALA O O 14.800 1.363 -10.290 1.00 . B B . 2 ALA O 1 1
16 8383 2 1 4 GLU C C 16.131 2.246 -7.736 1.00 . B B . 3 GLU C 1 1
16 8384 2 1 4 GLU CA C 16.623 3.024 -8.949 1.00 . B B . 3 GLU CA 1 1
16 8385 2 1 4 GLU CB C 17.449 4.225 -8.476 1.00 . B B . 3 GLU CB 1 1
16 8386 2 1 4 GLU CD C 18.958 6.087 -9.274 1.00 . B B . 3 GLU CD 1 1
16 8387 2 1 4 GLU CG C 17.855 5.118 -9.644 1.00 . B B . 3 GLU CG 1 1
16 8388 2 1 4 GLU H H 15.363 4.436 -9.921 1.00 . B B . 3 GLU H 1 1
16 8389 2 1 4 GLU HA H 17.271 2.372 -9.531 1.00 . B B . 3 GLU HA 1 1
16 8390 2 1 4 GLU HB2 H 16.877 4.818 -7.760 1.00 . B B . 3 GLU HB2 1 1
16 8391 2 1 4 GLU HB3 H 18.345 3.848 -7.982 1.00 . B B . 3 GLU HB3 1 1
16 8392 2 1 4 GLU HG2 H 18.186 4.516 -10.486 1.00 . B B . 3 GLU HG2 1 1
16 8393 2 1 4 GLU HG3 H 16.978 5.673 -9.936 1.00 . B B . 3 GLU HG3 1 1
16 8394 2 1 4 GLU N N 15.512 3.444 -9.796 1.00 . B B . 3 GLU N 1 1
16 8395 2 1 4 GLU O O 16.734 1.236 -7.400 1.00 . B B . 3 GLU O 1 1
16 8396 2 1 4 GLU OE1 O 20.125 5.679 -9.303 1.00 . B B . 3 GLU OE1 1 1
16 8397 2 1 4 GLU OE2 O 18.615 7.254 -8.976 1.00 . B B . 3 GLU OE2 1 1
16 8398 2 1 5 PHE C C 13.058 1.700 -5.942 1.00 . B B . 4 PHE C 1 1
16 8399 2 1 5 PHE CA C 14.523 2.150 -5.853 1.00 . B B . 4 PHE CA 1 1
16 8400 2 1 5 PHE CB C 14.725 3.186 -4.745 1.00 . B B . 4 PHE CB 1 1
16 8401 2 1 5 PHE CD1 C 13.755 5.290 -5.763 1.00 . B B . 4 PHE CD1 1 1
16 8402 2 1 5 PHE CD2 C 12.701 4.350 -3.780 1.00 . B B . 4 PHE CD2 1 1
16 8403 2 1 5 PHE CE1 C 12.784 6.303 -5.793 1.00 . B B . 4 PHE CE1 1 1
16 8404 2 1 5 PHE CE2 C 11.753 5.388 -3.794 1.00 . B B . 4 PHE CE2 1 1
16 8405 2 1 5 PHE CG C 13.712 4.309 -4.758 1.00 . B B . 4 PHE CG 1 1
16 8406 2 1 5 PHE CZ C 11.787 6.355 -4.809 1.00 . B B . 4 PHE CZ 1 1
16 8407 2 1 5 PHE H H 14.607 3.534 -7.472 1.00 . B B . 4 PHE H 1 1
16 8408 2 1 5 PHE HA H 15.105 1.273 -5.591 1.00 . B B . 4 PHE HA 1 1
16 8409 2 1 5 PHE HB2 H 14.667 2.674 -3.786 1.00 . B B . 4 PHE HB2 1 1
16 8410 2 1 5 PHE HB3 H 15.728 3.606 -4.828 1.00 . B B . 4 PHE HB3 1 1
16 8411 2 1 5 PHE HD1 H 14.523 5.252 -6.521 1.00 . B B . 4 PHE HD1 1 1
16 8412 2 1 5 PHE HD2 H 12.650 3.575 -3.029 1.00 . B B . 4 PHE HD2 1 1
16 8413 2 1 5 PHE HE1 H 12.811 7.059 -6.561 1.00 . B B . 4 PHE HE1 1 1
16 8414 2 1 5 PHE HE2 H 10.990 5.438 -3.033 1.00 . B B . 4 PHE HE2 1 1
16 8415 2 1 5 PHE HZ H 11.051 7.141 -4.830 1.00 . B B . 4 PHE HZ 1 1
16 8416 2 1 5 PHE N N 15.042 2.698 -7.106 1.00 . B B . 4 PHE N 1 1
16 8417 2 1 5 PHE O O 12.569 1.047 -5.019 1.00 . B B . 4 PHE O 1 1
16 8418 2 1 6 ARG C C 11.324 0.072 -8.041 1.00 . B B . 5 ARG C 1 1
16 8419 2 1 6 ARG CA C 11.090 1.449 -7.434 1.00 . B B . 5 ARG CA 1 1
16 8420 2 1 6 ARG CB C 10.358 2.402 -8.385 1.00 . B B . 5 ARG CB 1 1
16 8421 2 1 6 ARG CD C 8.891 3.423 -6.525 1.00 . B B . 5 ARG CD 1 1
16 8422 2 1 6 ARG CG C 9.841 3.676 -7.699 1.00 . B B . 5 ARG CG 1 1
16 8423 2 1 6 ARG CZ C 6.727 2.628 -7.520 1.00 . B B . 5 ARG CZ 1 1
16 8424 2 1 6 ARG H H 12.841 2.574 -7.754 1.00 . B B . 5 ARG H 1 1
16 8425 2 1 6 ARG HA H 10.486 1.314 -6.545 1.00 . B B . 5 ARG HA 1 1
16 8426 2 1 6 ARG HB2 H 11.037 2.683 -9.188 1.00 . B B . 5 ARG HB2 1 1
16 8427 2 1 6 ARG HB3 H 9.516 1.876 -8.835 1.00 . B B . 5 ARG HB3 1 1
16 8428 2 1 6 ARG HD2 H 9.483 3.032 -5.708 1.00 . B B . 5 ARG HD2 1 1
16 8429 2 1 6 ARG HD3 H 8.441 4.356 -6.195 1.00 . B B . 5 ARG HD3 1 1
16 8430 2 1 6 ARG HE H 8.118 1.470 -6.656 1.00 . B B . 5 ARG HE 1 1
16 8431 2 1 6 ARG HG2 H 10.683 4.254 -7.325 1.00 . B B . 5 ARG HG2 1 1
16 8432 2 1 6 ARG HG3 H 9.326 4.269 -8.447 1.00 . B B . 5 ARG HG3 1 1
16 8433 2 1 6 ARG HH11 H 6.735 4.659 -7.422 1.00 . B B . 5 ARG HH11 1 1
16 8434 2 1 6 ARG HH12 H 5.373 3.955 -8.260 1.00 . B B . 5 ARG HH12 1 1
16 8435 2 1 6 ARG HH21 H 6.405 0.639 -7.770 1.00 . B B . 5 ARG HH21 1 1
16 8436 2 1 6 ARG HH22 H 5.180 1.687 -8.445 1.00 . B B . 5 ARG HH22 1 1
16 8437 2 1 6 ARG N N 12.380 2.004 -7.058 1.00 . B B . 5 ARG N 1 1
16 8438 2 1 6 ARG NE N 7.864 2.428 -6.846 1.00 . B B . 5 ARG NE 1 1
16 8439 2 1 6 ARG NH1 N 6.250 3.846 -7.773 1.00 . B B . 5 ARG NH1 1 1
16 8440 2 1 6 ARG NH2 N 6.056 1.568 -7.956 1.00 . B B . 5 ARG NH2 1 1
16 8441 2 1 6 ARG O O 11.339 -0.105 -9.258 1.00 . B B . 5 ARG O 1 1
16 8442 2 1 7 ARG C C 11.278 -3.320 -6.945 1.00 . B B . 6 ARG C 1 1
16 8443 2 1 7 ARG CA C 12.183 -2.166 -7.373 1.00 . B B . 6 ARG CA 1 1
16 8444 2 1 7 ARG CB C 13.476 -2.191 -6.544 1.00 . B B . 6 ARG CB 1 1
16 8445 2 1 7 ARG CD C 15.258 -2.019 -8.287 1.00 . B B . 6 ARG CD 1 1
16 8446 2 1 7 ARG CG C 14.557 -1.293 -7.142 1.00 . B B . 6 ARG CG 1 1
16 8447 2 1 7 ARG CZ C 16.991 -1.345 -9.949 1.00 . B B . 6 ARG CZ 1 1
16 8448 2 1 7 ARG H H 11.536 -0.600 -6.169 1.00 . B B . 6 ARG H 1 1
16 8449 2 1 7 ARG HA H 12.426 -2.263 -8.426 1.00 . B B . 6 ARG HA 1 1
16 8450 2 1 7 ARG HB2 H 13.259 -1.840 -5.537 1.00 . B B . 6 ARG HB2 1 1
16 8451 2 1 7 ARG HB3 H 13.859 -3.208 -6.485 1.00 . B B . 6 ARG HB3 1 1
16 8452 2 1 7 ARG HD2 H 15.982 -2.706 -7.851 1.00 . B B . 6 ARG HD2 1 1
16 8453 2 1 7 ARG HD3 H 14.535 -2.584 -8.876 1.00 . B B . 6 ARG HD3 1 1
16 8454 2 1 7 ARG HE H 15.528 -0.155 -9.217 1.00 . B B . 6 ARG HE 1 1
16 8455 2 1 7 ARG HG2 H 14.113 -0.359 -7.488 1.00 . B B . 6 ARG HG2 1 1
16 8456 2 1 7 ARG HG3 H 15.295 -1.063 -6.376 1.00 . B B . 6 ARG HG3 1 1
16 8457 2 1 7 ARG HH11 H 17.167 -3.303 -9.424 1.00 . B B . 6 ARG HH11 1 1
16 8458 2 1 7 ARG HH12 H 18.345 -2.732 -10.581 1.00 . B B . 6 ARG HH12 1 1
16 8459 2 1 7 ARG HH21 H 17.077 0.538 -10.710 1.00 . B B . 6 ARG HH21 1 1
16 8460 2 1 7 ARG HH22 H 18.292 -0.567 -11.304 1.00 . B B . 6 ARG HH22 1 1
16 8461 2 1 7 ARG N N 11.558 -0.881 -7.136 1.00 . B B . 6 ARG N 1 1
16 8462 2 1 7 ARG NE N 15.933 -1.079 -9.173 1.00 . B B . 6 ARG NE 1 1
16 8463 2 1 7 ARG NH1 N 17.542 -2.560 -9.993 1.00 . B B . 6 ARG NH1 1 1
16 8464 2 1 7 ARG NH2 N 17.505 -0.377 -10.703 1.00 . B B . 6 ARG NH2 1 1
16 8465 2 1 7 ARG O O 10.339 -3.142 -6.176 1.00 . B B . 6 ARG O 1 1
16 8466 2 1 8 ASP C C 11.598 -6.064 -5.424 1.00 . B B . 7 ASP C 1 1
16 8467 2 1 8 ASP CA C 11.117 -5.796 -6.858 1.00 . B B . 7 ASP CA 1 1
16 8468 2 1 8 ASP CB C 11.605 -6.934 -7.767 1.00 . B B . 7 ASP CB 1 1
16 8469 2 1 8 ASP CG C 13.104 -7.200 -7.621 1.00 . B B . 7 ASP CG 1 1
16 8470 2 1 8 ASP H H 12.399 -4.598 -8.041 1.00 . B B . 7 ASP H 1 1
16 8471 2 1 8 ASP HA H 10.028 -5.770 -6.878 1.00 . B B . 7 ASP HA 1 1
16 8472 2 1 8 ASP HB2 H 11.058 -7.836 -7.507 1.00 . B B . 7 ASP HB2 1 1
16 8473 2 1 8 ASP HB3 H 11.395 -6.687 -8.807 1.00 . B B . 7 ASP HB3 1 1
16 8474 2 1 8 ASP N N 11.633 -4.530 -7.383 1.00 . B B . 7 ASP N 1 1
16 8475 2 1 8 ASP O O 11.049 -6.913 -4.731 1.00 . B B . 7 ASP O 1 1
16 8476 2 1 8 ASP OD1 O 13.880 -6.246 -7.793 1.00 . B B . 7 ASP OD1 1 1
16 8477 2 1 8 ASP OD2 O 13.462 -8.356 -7.308 1.00 . B B . 7 ASP OD2 1 1
16 8478 2 1 9 SER C C 12.893 -5.637 -2.502 1.00 . B B . 8 SER C 1 1
16 8479 2 1 9 SER CA C 13.534 -5.655 -3.895 1.00 . B B . 8 SER CA 1 1
16 8480 2 1 9 SER CB C 14.684 -4.654 -3.948 1.00 . B B . 8 SER CB 1 1
16 8481 2 1 9 SER H H 13.048 -4.742 -5.710 1.00 . B B . 8 SER H 1 1
16 8482 2 1 9 SER HA H 13.946 -6.649 -4.056 1.00 . B B . 8 SER HA 1 1
16 8483 2 1 9 SER HB2 H 14.286 -3.640 -3.905 1.00 . B B . 8 SER HB2 1 1
16 8484 2 1 9 SER HB3 H 15.350 -4.813 -3.102 1.00 . B B . 8 SER HB3 1 1
16 8485 2 1 9 SER HG H 16.158 -4.213 -5.125 1.00 . B B . 8 SER HG 1 1
16 8486 2 1 9 SER N N 12.658 -5.362 -5.018 1.00 . B B . 8 SER N 1 1
16 8487 2 1 9 SER O O 13.581 -5.959 -1.538 1.00 . B B . 8 SER O 1 1
16 8488 2 1 9 SER OG O 15.413 -4.823 -5.139 1.00 . B B . 8 SER OG 1 1
16 8489 2 1 10 GLY C C 9.548 -6.143 -1.517 1.00 . B B . 9 GLY C 1 1
16 8490 2 1 10 GLY CA C 10.845 -5.426 -1.143 1.00 . B B . 9 GLY CA 1 1
16 8491 2 1 10 GLY H H 11.081 -5.045 -3.193 1.00 . B B . 9 GLY H 1 1
16 8492 2 1 10 GLY HA2 H 11.384 -6.000 -0.392 1.00 . B B . 9 GLY HA2 1 1
16 8493 2 1 10 GLY HA3 H 10.657 -4.434 -0.743 1.00 . B B . 9 GLY HA3 1 1
16 8494 2 1 10 GLY N N 11.610 -5.294 -2.367 1.00 . B B . 9 GLY N 1 1
16 8495 2 1 10 GLY O O 9.570 -7.357 -1.675 1.00 . B B . 9 GLY O 1 1
16 8496 2 1 11 TYR C C 6.804 -3.618 -1.470 1.00 . B B . 10 TYR C 1 1
16 8497 2 1 11 TYR CA C 8.264 -4.019 -1.534 1.00 . B B . 10 TYR CA 1 1
16 8498 2 1 11 TYR CB C 8.929 -3.259 -2.695 1.00 . B B . 10 TYR CB 1 1
16 8499 2 1 11 TYR CD1 C 9.968 -1.566 -1.116 1.00 . B B . 10 TYR CD1 1 1
16 8500 2 1 11 TYR CD2 C 11.223 -2.300 -3.060 1.00 . B B . 10 TYR CD2 1 1
16 8501 2 1 11 TYR CE1 C 11.045 -0.765 -0.712 1.00 . B B . 10 TYR CE1 1 1
16 8502 2 1 11 TYR CE2 C 12.297 -1.495 -2.673 1.00 . B B . 10 TYR CE2 1 1
16 8503 2 1 11 TYR CG C 10.061 -2.349 -2.280 1.00 . B B . 10 TYR CG 1 1
16 8504 2 1 11 TYR CZ C 12.222 -0.732 -1.489 1.00 . B B . 10 TYR CZ 1 1
16 8505 2 1 11 TYR H H 7.625 -5.900 -2.110 1.00 . B B . 10 TYR H 1 1
16 8506 2 1 11 TYR HA H 8.714 -3.744 -0.583 1.00 . B B . 10 TYR HA 1 1
16 8507 2 1 11 TYR HB2 H 9.296 -3.966 -3.441 1.00 . B B . 10 TYR HB2 1 1
16 8508 2 1 11 TYR HB3 H 8.183 -2.655 -3.203 1.00 . B B . 10 TYR HB3 1 1
16 8509 2 1 11 TYR HD1 H 9.073 -1.590 -0.517 1.00 . B B . 10 TYR HD1 1 1
16 8510 2 1 11 TYR HD2 H 11.306 -2.911 -3.941 1.00 . B B . 10 TYR HD2 1 1
16 8511 2 1 11 TYR HE1 H 10.970 -0.189 0.195 1.00 . B B . 10 TYR HE1 1 1
16 8512 2 1 11 TYR HE2 H 13.185 -1.487 -3.273 1.00 . B B . 10 TYR HE2 1 1
16 8513 2 1 11 TYR HH H 14.003 0.010 -1.736 1.00 . B B . 10 TYR HH 1 1
16 8514 2 1 11 TYR N N 8.423 -5.443 -1.706 1.00 . B B . 10 TYR N 1 1
16 8515 2 1 11 TYR O O 5.928 -4.279 -2.025 1.00 . B B . 10 TYR O 1 1
16 8516 2 1 11 TYR OH O 13.289 0.015 -1.094 1.00 . B B . 10 TYR OH 1 1
16 8517 2 1 12 GLU C C 6.104 -0.114 -0.948 1.00 . B B . 11 GLU C 1 1
16 8518 2 1 12 GLU CA C 5.562 -1.517 -1.256 1.00 . B B . 11 GLU CA 1 1
16 8519 2 1 12 GLU CB C 4.298 -1.875 -0.484 1.00 . B B . 11 GLU CB 1 1
16 8520 2 1 12 GLU CD C 2.020 -0.913 -0.115 1.00 . B B . 11 GLU CD 1 1
16 8521 2 1 12 GLU CG C 3.070 -1.259 -1.152 1.00 . B B . 11 GLU CG 1 1
16 8522 2 1 12 GLU H H 7.369 -2.029 -0.370 1.00 . B B . 11 GLU H 1 1
16 8523 2 1 12 GLU HA H 5.371 -1.612 -2.324 1.00 . B B . 11 GLU HA 1 1
16 8524 2 1 12 GLU HB2 H 4.174 -2.955 -0.441 1.00 . B B . 11 GLU HB2 1 1
16 8525 2 1 12 GLU HB3 H 4.406 -1.514 0.533 1.00 . B B . 11 GLU HB3 1 1
16 8526 2 1 12 GLU HG2 H 3.357 -0.347 -1.676 1.00 . B B . 11 GLU HG2 1 1
16 8527 2 1 12 GLU HG3 H 2.661 -1.961 -1.879 1.00 . B B . 11 GLU HG3 1 1
16 8528 2 1 12 GLU N N 6.612 -2.433 -0.895 1.00 . B B . 11 GLU N 1 1
16 8529 2 1 12 GLU O O 5.769 0.472 0.078 1.00 . B B . 11 GLU O 1 1
16 8530 2 1 12 GLU OE1 O 1.598 -1.815 0.631 1.00 . B B . 11 GLU OE1 1 1
16 8531 2 1 12 GLU OE2 O 1.678 0.282 -0.037 1.00 . B B . 11 GLU OE2 1 1
16 8532 2 1 13 VAL C C 7.451 2.623 -0.831 1.00 . B B . 12 VAL C 1 1
16 8533 2 1 13 VAL CA C 7.980 1.438 -1.625 1.00 . B B . 12 VAL CA 1 1
16 8534 2 1 13 VAL CB C 8.524 1.915 -2.991 1.00 . B B . 12 VAL CB 1 1
16 8535 2 1 13 VAL CG1 C 9.400 3.171 -2.845 1.00 . B B . 12 VAL CG1 1 1
16 8536 2 1 13 VAL CG2 C 9.383 0.827 -3.647 1.00 . B B . 12 VAL CG2 1 1
16 8537 2 1 13 VAL H H 7.133 -0.170 -2.668 1.00 . B B . 12 VAL H 1 1
16 8538 2 1 13 VAL HA H 8.819 1.029 -1.073 1.00 . B B . 12 VAL HA 1 1
16 8539 2 1 13 VAL HB H 7.687 2.149 -3.653 1.00 . B B . 12 VAL HB 1 1
16 8540 2 1 13 VAL HG11 H 10.134 3.023 -2.053 1.00 . B B . 12 VAL HG11 1 1
16 8541 2 1 13 VAL HG12 H 9.938 3.368 -3.764 1.00 . B B . 12 VAL HG12 1 1
16 8542 2 1 13 VAL HG13 H 8.784 4.043 -2.621 1.00 . B B . 12 VAL HG13 1 1
16 8543 2 1 13 VAL HG21 H 8.857 -0.124 -3.669 1.00 . B B . 12 VAL HG21 1 1
16 8544 2 1 13 VAL HG22 H 9.610 1.110 -4.668 1.00 . B B . 12 VAL HG22 1 1
16 8545 2 1 13 VAL HG23 H 10.314 0.710 -3.095 1.00 . B B . 12 VAL HG23 1 1
16 8546 2 1 13 VAL N N 7.004 0.362 -1.822 1.00 . B B . 12 VAL N 1 1
16 8547 2 1 13 VAL O O 8.163 3.113 0.043 1.00 . B B . 12 VAL O 1 1
16 8548 2 1 14 HIS C C 5.655 4.327 0.938 1.00 . B B . 13 HIS C 1 1
16 8549 2 1 14 HIS CA C 5.717 4.325 -0.593 1.00 . B B . 13 HIS CA 1 1
16 8550 2 1 14 HIS CB C 4.347 4.652 -1.202 1.00 . B B . 13 HIS CB 1 1
16 8551 2 1 14 HIS CD2 C 4.174 7.157 -1.777 1.00 . B B . 13 HIS CD2 1 1
16 8552 2 1 14 HIS CE1 C 3.358 7.921 0.100 1.00 . B B . 13 HIS CE1 1 1
16 8553 2 1 14 HIS CG C 3.946 6.085 -0.956 1.00 . B B . 13 HIS CG 1 1
16 8554 2 1 14 HIS H H 5.680 2.590 -1.825 1.00 . B B . 13 HIS H 1 1
16 8555 2 1 14 HIS HA H 6.423 5.096 -0.903 1.00 . B B . 13 HIS HA 1 1
16 8556 2 1 14 HIS HB2 H 4.390 4.482 -2.274 1.00 . B B . 13 HIS HB2 1 1
16 8557 2 1 14 HIS HB3 H 3.591 3.986 -0.781 1.00 . B B . 13 HIS HB3 1 1
16 8558 2 1 14 HIS HD1 H 3.190 6.056 1.036 1.00 . B B . 13 HIS HD1 1 1
16 8559 2 1 14 HIS HD2 H 4.642 7.131 -2.747 1.00 . B B . 13 HIS HD2 1 1
16 8560 2 1 14 HIS HE1 H 2.999 8.582 0.871 1.00 . B B . 13 HIS HE1 1 1
16 8561 2 1 14 HIS N N 6.231 3.081 -1.132 1.00 . B B . 13 HIS N 1 1
16 8562 2 1 14 HIS ND1 N 3.421 6.589 0.209 1.00 . B B . 13 HIS ND1 1 1
16 8563 2 1 14 HIS NE2 N 3.781 8.317 -1.107 1.00 . B B . 13 HIS NE2 1 1
16 8564 2 1 14 HIS O O 5.715 5.407 1.513 1.00 . B B . 13 HIS O 1 1
16 8565 2 1 15 HIS C C 6.246 1.782 3.615 1.00 . B B . 14 HIS C 1 1
16 8566 2 1 15 HIS CA C 5.675 3.094 3.063 1.00 . B B . 14 HIS CA 1 1
16 8567 2 1 15 HIS CB C 4.303 3.424 3.674 1.00 . B B . 14 HIS CB 1 1
16 8568 2 1 15 HIS CD2 C 2.592 1.971 2.420 1.00 . B B . 14 HIS CD2 1 1
16 8569 2 1 15 HIS CE1 C 1.880 0.715 4.068 1.00 . B B . 14 HIS CE1 1 1
16 8570 2 1 15 HIS CG C 3.268 2.338 3.549 1.00 . B B . 14 HIS CG 1 1
16 8571 2 1 15 HIS H H 5.603 2.294 1.082 1.00 . B B . 14 HIS H 1 1
16 8572 2 1 15 HIS HA H 6.366 3.874 3.385 1.00 . B B . 14 HIS HA 1 1
16 8573 2 1 15 HIS HB2 H 4.437 3.632 4.733 1.00 . B B . 14 HIS HB2 1 1
16 8574 2 1 15 HIS HB3 H 3.919 4.336 3.224 1.00 . B B . 14 HIS HB3 1 1
16 8575 2 1 15 HIS HD1 H 3.135 1.550 5.527 1.00 . B B . 14 HIS HD1 1 1
16 8576 2 1 15 HIS HD2 H 2.709 2.403 1.436 1.00 . B B . 14 HIS HD2 1 1
16 8577 2 1 15 HIS HE1 H 1.349 -0.034 4.637 1.00 . B B . 14 HIS HE1 1 1
16 8578 2 1 15 HIS N N 5.608 3.162 1.605 1.00 . B B . 14 HIS N 1 1
16 8579 2 1 15 HIS ND1 N 2.807 1.542 4.571 1.00 . B B . 14 HIS ND1 1 1
16 8580 2 1 15 HIS NE2 N 1.715 0.939 2.757 1.00 . B B . 14 HIS NE2 1 1
16 8581 2 1 15 HIS O O 6.344 1.665 4.830 1.00 . B B . 14 HIS O 1 1
16 8582 2 1 16 GLN C C 8.505 -0.787 2.608 1.00 . B B . 15 GLN C 1 1
16 8583 2 1 16 GLN CA C 7.147 -0.482 3.224 1.00 . B B . 15 GLN CA 1 1
16 8584 2 1 16 GLN CB C 6.179 -1.616 2.886 1.00 . B B . 15 GLN CB 1 1
16 8585 2 1 16 GLN CD C 3.951 -2.684 3.423 1.00 . B B . 15 GLN CD 1 1
16 8586 2 1 16 GLN CG C 4.766 -1.396 3.437 1.00 . B B . 15 GLN CG 1 1
16 8587 2 1 16 GLN H H 6.563 0.938 1.789 1.00 . B B . 15 GLN H 1 1
16 8588 2 1 16 GLN HA H 7.273 -0.457 4.301 1.00 . B B . 15 GLN HA 1 1
16 8589 2 1 16 GLN HB2 H 6.147 -1.747 1.808 1.00 . B B . 15 GLN HB2 1 1
16 8590 2 1 16 GLN HB3 H 6.580 -2.532 3.311 1.00 . B B . 15 GLN HB3 1 1
16 8591 2 1 16 GLN HE21 H 2.981 -2.174 5.138 1.00 . B B . 15 GLN HE21 1 1
16 8592 2 1 16 GLN HE22 H 2.553 -3.728 4.454 1.00 . B B . 15 GLN HE22 1 1
16 8593 2 1 16 GLN HG2 H 4.840 -1.035 4.461 1.00 . B B . 15 GLN HG2 1 1
16 8594 2 1 16 GLN HG3 H 4.250 -0.641 2.844 1.00 . B B . 15 GLN HG3 1 1
16 8595 2 1 16 GLN N N 6.632 0.808 2.783 1.00 . B B . 15 GLN N 1 1
16 8596 2 1 16 GLN NE2 N 3.082 -2.869 4.413 1.00 . B B . 15 GLN NE2 1 1
16 8597 2 1 16 GLN O O 8.854 -0.261 1.556 1.00 . B B . 15 GLN O 1 1
16 8598 2 1 16 GLN OE1 O 4.108 -3.522 2.541 1.00 . B B . 15 GLN OE1 1 1
16 8599 2 1 17 LYS C C 10.874 -2.972 1.973 1.00 . B B . 16 LYS C 1 1
16 8600 2 1 17 LYS CA C 10.651 -1.974 3.113 1.00 . B B . 16 LYS CA 1 1
16 8601 2 1 17 LYS CB C 11.169 -2.533 4.448 1.00 . B B . 16 LYS CB 1 1
16 8602 2 1 17 LYS CD C 11.168 -2.013 6.957 1.00 . B B . 16 LYS CD 1 1
16 8603 2 1 17 LYS CE C 12.245 -3.049 7.250 1.00 . B B . 16 LYS CE 1 1
16 8604 2 1 17 LYS CG C 11.239 -1.446 5.536 1.00 . B B . 16 LYS CG 1 1
16 8605 2 1 17 LYS H H 8.815 -2.080 4.109 1.00 . B B . 16 LYS H 1 1
16 8606 2 1 17 LYS HA H 11.188 -1.055 2.883 1.00 . B B . 16 LYS HA 1 1
16 8607 2 1 17 LYS HB2 H 10.510 -3.342 4.771 1.00 . B B . 16 LYS HB2 1 1
16 8608 2 1 17 LYS HB3 H 12.165 -2.947 4.303 1.00 . B B . 16 LYS HB3 1 1
16 8609 2 1 17 LYS HD2 H 11.287 -1.193 7.661 1.00 . B B . 16 LYS HD2 1 1
16 8610 2 1 17 LYS HD3 H 10.189 -2.463 7.117 1.00 . B B . 16 LYS HD3 1 1
16 8611 2 1 17 LYS HE2 H 12.107 -3.916 6.606 1.00 . B B . 16 LYS HE2 1 1
16 8612 2 1 17 LYS HE3 H 13.225 -2.616 7.063 1.00 . B B . 16 LYS HE3 1 1
16 8613 2 1 17 LYS HG2 H 12.163 -0.880 5.417 1.00 . B B . 16 LYS HG2 1 1
16 8614 2 1 17 LYS HG3 H 10.408 -0.751 5.427 1.00 . B B . 16 LYS HG3 1 1
16 8615 2 1 17 LYS HZ1 H 11.287 -3.936 8.823 1.00 . B B . 16 LYS HZ1 1 1
16 8616 2 1 17 LYS HZ2 H 12.924 -4.095 8.870 1.00 . B B . 16 LYS HZ2 1 1
16 8617 2 1 17 LYS HZ3 H 12.226 -2.657 9.255 1.00 . B B . 16 LYS HZ3 1 1
16 8618 2 1 17 LYS N N 9.243 -1.660 3.297 1.00 . B B . 16 LYS N 1 1
16 8619 2 1 17 LYS NZ N 12.166 -3.466 8.653 1.00 . B B . 16 LYS NZ 1 1
16 8620 2 1 17 LYS O O 9.982 -3.726 1.609 1.00 . B B . 16 LYS O 1 1
16 8621 2 1 18 NH2 HN1 H 12.260 -3.658 0.657 1.00 . B B . 17 NH2 HN1 1 1
16 8622 2 1 18 NH2 HN2 H 12.802 -2.379 1.721 1.00 . B B . 17 NH2 HN2 1 1
16 8623 2 1 18 NH2 N N 12.078 -3.007 1.406 1.00 . B B . 17 NH2 N 1 1
16 8624 3 2 1 ZN ZN ZN 0.556 -0.306 1.557 1.00 . C A . 101 ZN ZN 1 1
17 8625 1 1 1 ACE C C -9.933 -6.284 -1.464 1.00 . A A . 0 ACE C 1 1
17 8626 1 1 1 ACE CH3 C -8.682 -5.422 -1.515 1.00 . A A . 0 ACE CH3 1 1
17 8627 1 1 1 ACE H1 H -8.368 -5.190 -0.498 1.00 . A A . 0 ACE H1 1 1
17 8628 1 1 1 ACE H2 H -7.883 -5.957 -2.028 1.00 . A A . 0 ACE H2 1 1
17 8629 1 1 1 ACE H3 H -8.894 -4.497 -2.053 1.00 . A A . 0 ACE H3 1 1
17 8630 1 1 1 ACE O O -9.843 -7.496 -1.611 1.00 . A A . 0 ACE O 1 1
17 8631 1 1 2 ASP C C -13.498 -5.268 -1.054 1.00 . A A . 1 ASP C 1 1
17 8632 1 1 2 ASP CA C -12.398 -6.325 -1.159 1.00 . A A . 1 ASP CA 1 1
17 8633 1 1 2 ASP CB C -12.440 -7.280 0.052 1.00 . A A . 1 ASP CB 1 1
17 8634 1 1 2 ASP CG C -13.157 -8.581 -0.261 1.00 . A A . 1 ASP CG 1 1
17 8635 1 1 2 ASP H H -11.098 -4.657 -1.159 1.00 . A A . 1 ASP H 1 1
17 8636 1 1 2 ASP HA H -12.551 -6.899 -2.072 1.00 . A A . 1 ASP HA 1 1
17 8637 1 1 2 ASP HB2 H -11.434 -7.538 0.377 1.00 . A A . 1 ASP HB2 1 1
17 8638 1 1 2 ASP HB3 H -12.931 -6.791 0.890 1.00 . A A . 1 ASP HB3 1 1
17 8639 1 1 2 ASP N N -11.097 -5.661 -1.259 1.00 . A A . 1 ASP N 1 1
17 8640 1 1 2 ASP O O -13.209 -4.164 -0.611 1.00 . A A . 1 ASP O 1 1
17 8641 1 1 2 ASP OD1 O -14.140 -8.534 -1.033 1.00 . A A . 1 ASP OD1 1 1
17 8642 1 1 2 ASP OD2 O -12.720 -9.618 0.253 1.00 . A A . 1 ASP OD2 1 1
17 8643 1 1 3 ALA C C -16.080 -4.034 0.009 1.00 . A A . 2 ALA C 1 1
17 8644 1 1 3 ALA CA C -15.861 -4.629 -1.387 1.00 . A A . 2 ALA CA 1 1
17 8645 1 1 3 ALA CB C -17.140 -5.308 -1.880 1.00 . A A . 2 ALA CB 1 1
17 8646 1 1 3 ALA H H -14.948 -6.517 -1.753 1.00 . A A . 2 ALA H 1 1
17 8647 1 1 3 ALA HA H -15.632 -3.813 -2.070 1.00 . A A . 2 ALA HA 1 1
17 8648 1 1 3 ALA HB1 H -17.025 -5.594 -2.924 1.00 . A A . 2 ALA HB1 1 1
17 8649 1 1 3 ALA HB2 H -17.355 -6.192 -1.283 1.00 . A A . 2 ALA HB2 1 1
17 8650 1 1 3 ALA HB3 H -17.978 -4.620 -1.786 1.00 . A A . 2 ALA HB3 1 1
17 8651 1 1 3 ALA N N -14.751 -5.585 -1.417 1.00 . A A . 2 ALA N 1 1
17 8652 1 1 3 ALA O O -16.258 -2.824 0.135 1.00 . A A . 2 ALA O 1 1
17 8653 1 1 4 GLU C C -14.979 -3.655 2.996 1.00 . A A . 3 GLU C 1 1
17 8654 1 1 4 GLU CA C -16.131 -4.503 2.453 1.00 . A A . 3 GLU CA 1 1
17 8655 1 1 4 GLU CB C -16.303 -5.774 3.290 1.00 . A A . 3 GLU CB 1 1
17 8656 1 1 4 GLU CD C -15.402 -8.064 3.740 1.00 . A A . 3 GLU CD 1 1
17 8657 1 1 4 GLU CG C -15.064 -6.675 3.237 1.00 . A A . 3 GLU CG 1 1
17 8658 1 1 4 GLU H H -15.852 -5.855 0.850 1.00 . A A . 3 GLU H 1 1
17 8659 1 1 4 GLU HA H -17.030 -3.907 2.550 1.00 . A A . 3 GLU HA 1 1
17 8660 1 1 4 GLU HB2 H -16.502 -5.504 4.328 1.00 . A A . 3 GLU HB2 1 1
17 8661 1 1 4 GLU HB3 H -17.164 -6.322 2.908 1.00 . A A . 3 GLU HB3 1 1
17 8662 1 1 4 GLU HG2 H -14.713 -6.758 2.211 1.00 . A A . 3 GLU HG2 1 1
17 8663 1 1 4 GLU HG3 H -14.268 -6.247 3.846 1.00 . A A . 3 GLU HG3 1 1
17 8664 1 1 4 GLU N N -16.004 -4.877 1.046 1.00 . A A . 3 GLU N 1 1
17 8665 1 1 4 GLU O O -15.092 -3.148 4.106 1.00 . A A . 3 GLU O 1 1
17 8666 1 1 4 GLU OE1 O -15.865 -8.879 2.917 1.00 . A A . 3 GLU OE1 1 1
17 8667 1 1 4 GLU OE2 O -15.221 -8.302 4.943 1.00 . A A . 3 GLU OE2 1 1
17 8668 1 1 5 PHE C C -12.741 -1.389 1.571 1.00 . A A . 4 PHE C 1 1
17 8669 1 1 5 PHE CA C -12.809 -2.556 2.549 1.00 . A A . 4 PHE CA 1 1
17 8670 1 1 5 PHE CB C -11.486 -3.303 2.524 1.00 . A A . 4 PHE CB 1 1
17 8671 1 1 5 PHE CD1 C -11.878 -4.512 4.709 1.00 . A A . 4 PHE CD1 1 1
17 8672 1 1 5 PHE CD2 C -11.080 -5.764 2.781 1.00 . A A . 4 PHE CD2 1 1
17 8673 1 1 5 PHE CE1 C -11.867 -5.688 5.475 1.00 . A A . 4 PHE CE1 1 1
17 8674 1 1 5 PHE CE2 C -11.093 -6.943 3.535 1.00 . A A . 4 PHE CE2 1 1
17 8675 1 1 5 PHE CG C -11.466 -4.551 3.367 1.00 . A A . 4 PHE CG 1 1
17 8676 1 1 5 PHE CZ C -11.476 -6.903 4.884 1.00 . A A . 4 PHE CZ 1 1
17 8677 1 1 5 PHE H H -13.820 -4.017 1.383 1.00 . A A . 4 PHE H 1 1
17 8678 1 1 5 PHE HA H -12.954 -2.141 3.544 1.00 . A A . 4 PHE HA 1 1
17 8679 1 1 5 PHE HB2 H -11.268 -3.572 1.489 1.00 . A A . 4 PHE HB2 1 1
17 8680 1 1 5 PHE HB3 H -10.709 -2.632 2.885 1.00 . A A . 4 PHE HB3 1 1
17 8681 1 1 5 PHE HD1 H -12.209 -3.579 5.144 1.00 . A A . 4 PHE HD1 1 1
17 8682 1 1 5 PHE HD2 H -10.786 -5.783 1.744 1.00 . A A . 4 PHE HD2 1 1
17 8683 1 1 5 PHE HE1 H -12.174 -5.655 6.509 1.00 . A A . 4 PHE HE1 1 1
17 8684 1 1 5 PHE HE2 H -10.812 -7.876 3.079 1.00 . A A . 4 PHE HE2 1 1
17 8685 1 1 5 PHE HZ H -11.473 -7.815 5.452 1.00 . A A . 4 PHE HZ 1 1
17 8686 1 1 5 PHE N N -13.891 -3.487 2.237 1.00 . A A . 4 PHE N 1 1
17 8687 1 1 5 PHE O O -12.236 -0.332 1.944 1.00 . A A . 4 PHE O 1 1
17 8688 1 1 6 ARG C C -14.829 0.285 -0.128 1.00 . A A . 5 ARG C 1 1
17 8689 1 1 6 ARG CA C -13.594 -0.498 -0.591 1.00 . A A . 5 ARG CA 1 1
17 8690 1 1 6 ARG CB C -13.764 -1.091 -1.996 1.00 . A A . 5 ARG CB 1 1
17 8691 1 1 6 ARG CD C -11.307 -0.629 -2.716 1.00 . A A . 5 ARG CD 1 1
17 8692 1 1 6 ARG CG C -12.474 -1.613 -2.653 1.00 . A A . 5 ARG CG 1 1
17 8693 1 1 6 ARG CZ C -11.071 1.477 -4.066 1.00 . A A . 5 ARG CZ 1 1
17 8694 1 1 6 ARG H H -13.697 -2.456 0.150 1.00 . A A . 5 ARG H 1 1
17 8695 1 1 6 ARG HA H -12.753 0.189 -0.605 1.00 . A A . 5 ARG HA 1 1
17 8696 1 1 6 ARG HB2 H -14.494 -1.896 -1.951 1.00 . A A . 5 ARG HB2 1 1
17 8697 1 1 6 ARG HB3 H -14.170 -0.322 -2.650 1.00 . A A . 5 ARG HB3 1 1
17 8698 1 1 6 ARG HD2 H -10.885 -0.505 -1.724 1.00 . A A . 5 ARG HD2 1 1
17 8699 1 1 6 ARG HD3 H -10.546 -1.058 -3.366 1.00 . A A . 5 ARG HD3 1 1
17 8700 1 1 6 ARG HE H -12.624 1.010 -2.882 1.00 . A A . 5 ARG HE 1 1
17 8701 1 1 6 ARG HG2 H -12.133 -2.511 -2.146 1.00 . A A . 5 ARG HG2 1 1
17 8702 1 1 6 ARG HG3 H -12.715 -1.871 -3.679 1.00 . A A . 5 ARG HG3 1 1
17 8703 1 1 6 ARG HH11 H -9.447 0.277 -4.306 1.00 . A A . 5 ARG HH11 1 1
17 8704 1 1 6 ARG HH12 H -9.417 1.772 -5.211 1.00 . A A . 5 ARG HH12 1 1
17 8705 1 1 6 ARG HH21 H -12.518 2.903 -4.034 1.00 . A A . 5 ARG HH21 1 1
17 8706 1 1 6 ARG HH22 H -11.143 3.253 -5.057 1.00 . A A . 5 ARG HH22 1 1
17 8707 1 1 6 ARG N N -13.307 -1.552 0.368 1.00 . A A . 5 ARG N 1 1
17 8708 1 1 6 ARG NE N -11.733 0.680 -3.222 1.00 . A A . 5 ARG NE 1 1
17 8709 1 1 6 ARG NH1 N -9.883 1.148 -4.570 1.00 . A A . 5 ARG NH1 1 1
17 8710 1 1 6 ARG NH2 N -11.619 2.641 -4.410 1.00 . A A . 5 ARG NH2 1 1
17 8711 1 1 6 ARG O O -15.744 0.551 -0.899 1.00 . A A . 5 ARG O 1 1
17 8712 1 1 7 ARG C C -15.591 2.936 1.410 1.00 . A A . 6 ARG C 1 1
17 8713 1 1 7 ARG CA C -15.784 1.481 1.848 1.00 . A A . 6 ARG CA 1 1
17 8714 1 1 7 ARG CB C -15.562 1.297 3.357 1.00 . A A . 6 ARG CB 1 1
17 8715 1 1 7 ARG CD C -17.106 -0.731 3.766 1.00 . A A . 6 ARG CD 1 1
17 8716 1 1 7 ARG CG C -15.698 -0.145 3.868 1.00 . A A . 6 ARG CG 1 1
17 8717 1 1 7 ARG CZ C -18.687 -1.182 1.899 1.00 . A A . 6 ARG CZ 1 1
17 8718 1 1 7 ARG H H -14.077 0.301 1.733 1.00 . A A . 6 ARG H 1 1
17 8719 1 1 7 ARG HA H -16.792 1.174 1.595 1.00 . A A . 6 ARG HA 1 1
17 8720 1 1 7 ARG HB2 H -14.553 1.628 3.588 1.00 . A A . 6 ARG HB2 1 1
17 8721 1 1 7 ARG HB3 H -16.256 1.918 3.908 1.00 . A A . 6 ARG HB3 1 1
17 8722 1 1 7 ARG HD2 H -17.163 -1.612 4.404 1.00 . A A . 6 ARG HD2 1 1
17 8723 1 1 7 ARG HD3 H -17.820 0.009 4.126 1.00 . A A . 6 ARG HD3 1 1
17 8724 1 1 7 ARG HE H -16.681 -1.426 1.803 1.00 . A A . 6 ARG HE 1 1
17 8725 1 1 7 ARG HG2 H -14.997 -0.776 3.333 1.00 . A A . 6 ARG HG2 1 1
17 8726 1 1 7 ARG HG3 H -15.421 -0.164 4.921 1.00 . A A . 6 ARG HG3 1 1
17 8727 1 1 7 ARG HH11 H -19.647 -0.739 3.637 1.00 . A A . 6 ARG HH11 1 1
17 8728 1 1 7 ARG HH12 H -20.682 -0.989 2.252 1.00 . A A . 6 ARG HH12 1 1
17 8729 1 1 7 ARG HH21 H -18.073 -1.705 0.031 1.00 . A A . 6 ARG HH21 1 1
17 8730 1 1 7 ARG HH22 H -19.802 -1.542 0.242 1.00 . A A . 6 ARG HH22 1 1
17 8731 1 1 7 ARG N N -14.841 0.628 1.162 1.00 . A A . 6 ARG N 1 1
17 8732 1 1 7 ARG NE N -17.446 -1.146 2.401 1.00 . A A . 6 ARG NE 1 1
17 8733 1 1 7 ARG NH1 N -19.757 -0.925 2.652 1.00 . A A . 6 ARG NH1 1 1
17 8734 1 1 7 ARG NH2 N -18.866 -1.489 0.617 1.00 . A A . 6 ARG NH2 1 1
17 8735 1 1 7 ARG O O -14.746 3.244 0.571 1.00 . A A . 6 ARG O 1 1
17 8736 1 1 8 ASP C C -15.278 5.992 1.358 1.00 . A A . 7 ASP C 1 1
17 8737 1 1 8 ASP CA C -16.577 5.176 1.458 1.00 . A A . 7 ASP CA 1 1
17 8738 1 1 8 ASP CB C -17.608 5.877 2.343 1.00 . A A . 7 ASP CB 1 1
17 8739 1 1 8 ASP CG C -17.926 7.249 1.793 1.00 . A A . 7 ASP CG 1 1
17 8740 1 1 8 ASP H H -17.078 3.515 2.648 1.00 . A A . 7 ASP H 1 1
17 8741 1 1 8 ASP HA H -16.996 5.086 0.458 1.00 . A A . 7 ASP HA 1 1
17 8742 1 1 8 ASP HB2 H -18.524 5.288 2.376 1.00 . A A . 7 ASP HB2 1 1
17 8743 1 1 8 ASP HB3 H -17.221 5.983 3.357 1.00 . A A . 7 ASP HB3 1 1
17 8744 1 1 8 ASP N N -16.401 3.832 1.968 1.00 . A A . 7 ASP N 1 1
17 8745 1 1 8 ASP O O -15.064 6.636 0.337 1.00 . A A . 7 ASP O 1 1
17 8746 1 1 8 ASP OD1 O -17.077 8.138 1.994 1.00 . A A . 7 ASP OD1 1 1
17 8747 1 1 8 ASP OD2 O -18.965 7.412 1.151 1.00 . A A . 7 ASP OD2 1 1
17 8748 1 1 9 SER C C -12.157 6.303 3.297 1.00 . A A . 8 SER C 1 1
17 8749 1 1 9 SER CA C -13.336 6.933 2.568 1.00 . A A . 8 SER CA 1 1
17 8750 1 1 9 SER CB C -13.821 8.116 3.401 1.00 . A A . 8 SER CB 1 1
17 8751 1 1 9 SER H H -14.665 5.441 3.205 1.00 . A A . 8 SER H 1 1
17 8752 1 1 9 SER HA H -13.003 7.286 1.596 1.00 . A A . 8 SER HA 1 1
17 8753 1 1 9 SER HB2 H -14.386 7.762 4.263 1.00 . A A . 8 SER HB2 1 1
17 8754 1 1 9 SER HB3 H -12.964 8.693 3.747 1.00 . A A . 8 SER HB3 1 1
17 8755 1 1 9 SER HG H -15.449 8.480 2.407 1.00 . A A . 8 SER HG 1 1
17 8756 1 1 9 SER N N -14.437 5.994 2.398 1.00 . A A . 8 SER N 1 1
17 8757 1 1 9 SER O O -12.342 5.430 4.135 1.00 . A A . 8 SER O 1 1
17 8758 1 1 9 SER OG O -14.630 8.946 2.615 1.00 . A A . 8 SER OG 1 1
17 8759 1 1 10 GLY C C -8.586 6.987 2.803 1.00 . A A . 9 GLY C 1 1
17 8760 1 1 10 GLY CA C -9.711 6.403 3.647 1.00 . A A . 9 GLY CA 1 1
17 8761 1 1 10 GLY H H -10.847 7.449 2.249 1.00 . A A . 9 GLY H 1 1
17 8762 1 1 10 GLY HA2 H -9.658 6.796 4.657 1.00 . A A . 9 GLY HA2 1 1
17 8763 1 1 10 GLY HA3 H -9.668 5.324 3.718 1.00 . A A . 9 GLY HA3 1 1
17 8764 1 1 10 GLY N N -10.951 6.802 3.020 1.00 . A A . 9 GLY N 1 1
17 8765 1 1 10 GLY O O -8.535 8.197 2.625 1.00 . A A . 9 GLY O 1 1
17 8766 1 1 11 TYR C C -6.159 4.378 1.768 1.00 . A A . 10 TYR C 1 1
17 8767 1 1 11 TYR CA C -7.472 4.777 2.419 1.00 . A A . 10 TYR CA 1 1
17 8768 1 1 11 TYR CB C -8.590 3.962 1.752 1.00 . A A . 10 TYR CB 1 1
17 8769 1 1 11 TYR CD1 C -8.573 2.171 3.552 1.00 . A A . 10 TYR CD1 1 1
17 8770 1 1 11 TYR CD2 C -10.699 3.034 2.746 1.00 . A A . 10 TYR CD2 1 1
17 8771 1 1 11 TYR CE1 C -9.245 1.343 4.459 1.00 . A A . 10 TYR CE1 1 1
17 8772 1 1 11 TYR CE2 C -11.379 2.183 3.626 1.00 . A A . 10 TYR CE2 1 1
17 8773 1 1 11 TYR CG C -9.299 3.026 2.700 1.00 . A A . 10 TYR CG 1 1
17 8774 1 1 11 TYR CZ C -10.655 1.333 4.490 1.00 . A A . 10 TYR CZ 1 1
17 8775 1 1 11 TYR H H -7.094 6.606 1.536 1.00 . A A . 10 TYR H 1 1
17 8776 1 1 11 TYR HA H -7.427 4.557 3.484 1.00 . A A . 10 TYR HA 1 1
17 8777 1 1 11 TYR HB2 H -9.319 4.629 1.295 1.00 . A A . 10 TYR HB2 1 1
17 8778 1 1 11 TYR HB3 H -8.173 3.378 0.934 1.00 . A A . 10 TYR HB3 1 1
17 8779 1 1 11 TYR HD1 H -7.499 2.158 3.532 1.00 . A A . 10 TYR HD1 1 1
17 8780 1 1 11 TYR HD2 H -11.252 3.715 2.117 1.00 . A A . 10 TYR HD2 1 1
17 8781 1 1 11 TYR HE1 H -8.676 0.740 5.143 1.00 . A A . 10 TYR HE1 1 1
17 8782 1 1 11 TYR HE2 H -12.453 2.213 3.661 1.00 . A A . 10 TYR HE2 1 1
17 8783 1 1 11 TYR HH H -12.268 0.648 5.339 1.00 . A A . 10 TYR HH 1 1
17 8784 1 1 11 TYR N N -7.679 6.195 2.238 1.00 . A A . 10 TYR N 1 1
17 8785 1 1 11 TYR O O -5.750 4.973 0.777 1.00 . A A . 10 TYR O 1 1
17 8786 1 1 11 TYR OH O -11.314 0.541 5.380 1.00 . A A . 10 TYR OH 1 1
17 8787 1 1 12 GLU C C -5.391 0.916 1.831 1.00 . A A . 11 GLU C 1 1
17 8788 1 1 12 GLU CA C -4.897 2.316 1.429 1.00 . A A . 11 GLU CA 1 1
17 8789 1 1 12 GLU CB C -3.395 2.505 1.609 1.00 . A A . 11 GLU CB 1 1
17 8790 1 1 12 GLU CD C -1.241 1.480 0.796 1.00 . A A . 11 GLU CD 1 1
17 8791 1 1 12 GLU CG C -2.675 1.820 0.448 1.00 . A A . 11 GLU CG 1 1
17 8792 1 1 12 GLU H H -5.933 2.912 3.131 1.00 . A A . 11 GLU H 1 1
17 8793 1 1 12 GLU HA H -5.142 2.506 0.384 1.00 . A A . 11 GLU HA 1 1
17 8794 1 1 12 GLU HB2 H -3.154 3.568 1.606 1.00 . A A . 11 GLU HB2 1 1
17 8795 1 1 12 GLU HB3 H -3.088 2.084 2.565 1.00 . A A . 11 GLU HB3 1 1
17 8796 1 1 12 GLU HG2 H -3.190 0.892 0.205 1.00 . A A . 11 GLU HG2 1 1
17 8797 1 1 12 GLU HG3 H -2.694 2.464 -0.431 1.00 . A A . 11 GLU HG3 1 1
17 8798 1 1 12 GLU N N -5.607 3.267 2.247 1.00 . A A . 11 GLU N 1 1
17 8799 1 1 12 GLU O O -4.879 0.302 2.766 1.00 . A A . 11 GLU O 1 1
17 8800 1 1 12 GLU OE1 O -0.532 2.349 1.341 1.00 . A A . 11 GLU OE1 1 1
17 8801 1 1 12 GLU OE2 O -0.867 0.321 0.553 1.00 . A A . 11 GLU OE2 1 1
17 8802 1 1 13 VAL C C -6.331 -2.054 1.370 1.00 . A A . 12 VAL C 1 1
17 8803 1 1 13 VAL CA C -7.184 -0.785 1.390 1.00 . A A . 12 VAL CA 1 1
17 8804 1 1 13 VAL CB C -8.353 -0.860 0.386 1.00 . A A . 12 VAL CB 1 1
17 8805 1 1 13 VAL CG1 C -9.003 -2.241 0.274 1.00 . A A . 12 VAL CG1 1 1
17 8806 1 1 13 VAL CG2 C -9.418 0.134 0.843 1.00 . A A . 12 VAL CG2 1 1
17 8807 1 1 13 VAL H H -6.774 1.012 0.369 1.00 . A A . 12 VAL H 1 1
17 8808 1 1 13 VAL HA H -7.595 -0.699 2.389 1.00 . A A . 12 VAL HA 1 1
17 8809 1 1 13 VAL HB H -8.001 -0.572 -0.604 1.00 . A A . 12 VAL HB 1 1
17 8810 1 1 13 VAL HG11 H -9.201 -2.625 1.270 1.00 . A A . 12 VAL HG11 1 1
17 8811 1 1 13 VAL HG12 H -9.928 -2.191 -0.299 1.00 . A A . 12 VAL HG12 1 1
17 8812 1 1 13 VAL HG13 H -8.322 -2.919 -0.228 1.00 . A A . 12 VAL HG13 1 1
17 8813 1 1 13 VAL HG21 H -9.704 -0.094 1.869 1.00 . A A . 12 VAL HG21 1 1
17 8814 1 1 13 VAL HG22 H -9.014 1.140 0.791 1.00 . A A . 12 VAL HG22 1 1
17 8815 1 1 13 VAL HG23 H -10.289 0.079 0.199 1.00 . A A . 12 VAL HG23 1 1
17 8816 1 1 13 VAL N N -6.422 0.439 1.121 1.00 . A A . 12 VAL N 1 1
17 8817 1 1 13 VAL O O -6.721 -3.075 1.937 1.00 . A A . 12 VAL O 1 1
17 8818 1 1 14 HIS C C -3.783 -3.428 2.181 1.00 . A A . 13 HIS C 1 1
17 8819 1 1 14 HIS CA C -4.176 -3.043 0.755 1.00 . A A . 13 HIS CA 1 1
17 8820 1 1 14 HIS CB C -2.998 -2.538 -0.080 1.00 . A A . 13 HIS CB 1 1
17 8821 1 1 14 HIS CD2 C -1.411 -4.566 0.101 1.00 . A A . 13 HIS CD2 1 1
17 8822 1 1 14 HIS CE1 C 0.496 -3.497 0.267 1.00 . A A . 13 HIS CE1 1 1
17 8823 1 1 14 HIS CG C -1.674 -3.224 0.093 1.00 . A A . 13 HIS CG 1 1
17 8824 1 1 14 HIS H H -4.899 -1.120 0.293 1.00 . A A . 13 HIS H 1 1
17 8825 1 1 14 HIS HA H -4.649 -3.899 0.281 1.00 . A A . 13 HIS HA 1 1
17 8826 1 1 14 HIS HB2 H -3.282 -2.593 -1.130 1.00 . A A . 13 HIS HB2 1 1
17 8827 1 1 14 HIS HB3 H -2.835 -1.490 0.167 1.00 . A A . 13 HIS HB3 1 1
17 8828 1 1 14 HIS HD1 H -0.332 -1.574 0.215 1.00 . A A . 13 HIS HD1 1 1
17 8829 1 1 14 HIS HD2 H -2.135 -5.361 0.019 1.00 . A A . 13 HIS HD2 1 1
17 8830 1 1 14 HIS HE1 H 1.548 -3.274 0.361 1.00 . A A . 13 HIS HE1 1 1
17 8831 1 1 14 HIS N N -5.152 -1.980 0.758 1.00 . A A . 13 HIS N 1 1
17 8832 1 1 14 HIS ND1 N -0.468 -2.574 0.195 1.00 . A A . 13 HIS ND1 1 1
17 8833 1 1 14 HIS NE2 N -0.030 -4.728 0.213 1.00 . A A . 13 HIS NE2 1 1
17 8834 1 1 14 HIS O O -3.674 -4.613 2.470 1.00 . A A . 13 HIS O 1 1
17 8835 1 1 15 HIS C C -4.659 -3.031 5.279 1.00 . A A . 14 HIS C 1 1
17 8836 1 1 15 HIS CA C -3.388 -2.729 4.493 1.00 . A A . 14 HIS CA 1 1
17 8837 1 1 15 HIS CB C -2.599 -1.567 5.096 1.00 . A A . 14 HIS CB 1 1
17 8838 1 1 15 HIS CD2 C -0.892 -0.284 3.698 1.00 . A A . 14 HIS CD2 1 1
17 8839 1 1 15 HIS CE1 C 0.532 -1.891 3.262 1.00 . A A . 14 HIS CE1 1 1
17 8840 1 1 15 HIS CG C -1.286 -1.394 4.386 1.00 . A A . 14 HIS CG 1 1
17 8841 1 1 15 HIS H H -3.807 -1.495 2.815 1.00 . A A . 14 HIS H 1 1
17 8842 1 1 15 HIS HA H -2.761 -3.619 4.560 1.00 . A A . 14 HIS HA 1 1
17 8843 1 1 15 HIS HB2 H -3.184 -0.651 5.013 1.00 . A A . 14 HIS HB2 1 1
17 8844 1 1 15 HIS HB3 H -2.405 -1.761 6.148 1.00 . A A . 14 HIS HB3 1 1
17 8845 1 1 15 HIS HD1 H -0.412 -3.342 4.446 1.00 . A A . 14 HIS HD1 1 1
17 8846 1 1 15 HIS HD2 H -1.433 0.647 3.647 1.00 . A A . 14 HIS HD2 1 1
17 8847 1 1 15 HIS HE1 H 1.363 -2.442 2.850 1.00 . A A . 14 HIS HE1 1 1
17 8848 1 1 15 HIS N N -3.652 -2.456 3.089 1.00 . A A . 14 HIS N 1 1
17 8849 1 1 15 HIS ND1 N -0.374 -2.388 4.114 1.00 . A A . 14 HIS ND1 1 1
17 8850 1 1 15 HIS NE2 N 0.267 -0.607 2.990 1.00 . A A . 14 HIS NE2 1 1
17 8851 1 1 15 HIS O O -4.547 -3.612 6.350 1.00 . A A . 14 HIS O 1 1
17 8852 1 1 16 GLN C C -7.390 -4.542 5.342 1.00 . A A . 15 GLN C 1 1
17 8853 1 1 16 GLN CA C -7.101 -3.051 5.431 1.00 . A A . 15 GLN CA 1 1
17 8854 1 1 16 GLN CB C -8.244 -2.263 4.800 1.00 . A A . 15 GLN CB 1 1
17 8855 1 1 16 GLN CD C -9.287 -1.487 7.011 1.00 . A A . 15 GLN CD 1 1
17 8856 1 1 16 GLN CG C -9.478 -2.261 5.706 1.00 . A A . 15 GLN CG 1 1
17 8857 1 1 16 GLN H H -5.929 -2.209 3.902 1.00 . A A . 15 GLN H 1 1
17 8858 1 1 16 GLN HA H -7.010 -2.771 6.473 1.00 . A A . 15 GLN HA 1 1
17 8859 1 1 16 GLN HB2 H -7.921 -1.246 4.602 1.00 . A A . 15 GLN HB2 1 1
17 8860 1 1 16 GLN HB3 H -8.505 -2.727 3.855 1.00 . A A . 15 GLN HB3 1 1
17 8861 1 1 16 GLN HE21 H -11.021 -2.212 7.764 1.00 . A A . 15 GLN HE21 1 1
17 8862 1 1 16 GLN HE22 H -10.132 -1.141 8.821 1.00 . A A . 15 GLN HE22 1 1
17 8863 1 1 16 GLN HG2 H -10.305 -1.827 5.153 1.00 . A A . 15 GLN HG2 1 1
17 8864 1 1 16 GLN HG3 H -9.744 -3.289 5.945 1.00 . A A . 15 GLN HG3 1 1
17 8865 1 1 16 GLN N N -5.856 -2.708 4.772 1.00 . A A . 15 GLN N 1 1
17 8866 1 1 16 GLN NE2 N -10.226 -1.618 7.934 1.00 . A A . 15 GLN NE2 1 1
17 8867 1 1 16 GLN O O -7.823 -5.130 6.322 1.00 . A A . 15 GLN O 1 1
17 8868 1 1 16 GLN OE1 O -8.307 -0.780 7.205 1.00 . A A . 15 GLN OE1 1 1
17 8869 1 1 17 LYS C C -5.947 -7.285 4.530 1.00 . A A . 16 LYS C 1 1
17 8870 1 1 17 LYS CA C -7.230 -6.599 4.030 1.00 . A A . 16 LYS CA 1 1
17 8871 1 1 17 LYS CB C -7.528 -6.892 2.558 1.00 . A A . 16 LYS CB 1 1
17 8872 1 1 17 LYS CD C -8.301 -8.648 0.919 1.00 . A A . 16 LYS CD 1 1
17 8873 1 1 17 LYS CE C -8.743 -10.099 0.722 1.00 . A A . 16 LYS CE 1 1
17 8874 1 1 17 LYS CG C -7.775 -8.386 2.331 1.00 . A A . 16 LYS CG 1 1
17 8875 1 1 17 LYS H H -6.821 -4.610 3.399 1.00 . A A . 16 LYS H 1 1
17 8876 1 1 17 LYS HA H -8.069 -6.967 4.624 1.00 . A A . 16 LYS HA 1 1
17 8877 1 1 17 LYS HB2 H -8.416 -6.334 2.266 1.00 . A A . 16 LYS HB2 1 1
17 8878 1 1 17 LYS HB3 H -6.697 -6.551 1.946 1.00 . A A . 16 LYS HB3 1 1
17 8879 1 1 17 LYS HD2 H -9.167 -8.013 0.759 1.00 . A A . 16 LYS HD2 1 1
17 8880 1 1 17 LYS HD3 H -7.532 -8.399 0.189 1.00 . A A . 16 LYS HD3 1 1
17 8881 1 1 17 LYS HE2 H -9.602 -10.291 1.359 1.00 . A A . 16 LYS HE2 1 1
17 8882 1 1 17 LYS HE3 H -9.038 -10.249 -0.317 1.00 . A A . 16 LYS HE3 1 1
17 8883 1 1 17 LYS HG2 H -6.835 -8.919 2.463 1.00 . A A . 16 LYS HG2 1 1
17 8884 1 1 17 LYS HG3 H -8.506 -8.747 3.057 1.00 . A A . 16 LYS HG3 1 1
17 8885 1 1 17 LYS HZ1 H -6.866 -10.898 0.506 1.00 . A A . 16 LYS HZ1 1 1
17 8886 1 1 17 LYS HZ2 H -7.440 -10.950 2.046 1.00 . A A . 16 LYS HZ2 1 1
17 8887 1 1 17 LYS HZ3 H -8.019 -12.003 0.931 1.00 . A A . 16 LYS HZ3 1 1
17 8888 1 1 17 LYS N N -7.140 -5.157 4.186 1.00 . A A . 16 LYS N 1 1
17 8889 1 1 17 LYS NZ N -7.687 -11.059 1.071 1.00 . A A . 16 LYS NZ 1 1
17 8890 1 1 17 LYS O O -5.990 -8.439 4.939 1.00 . A A . 16 LYS O 1 1
17 8891 1 1 18 NH2 HN1 H -3.970 -7.023 4.909 1.00 . A A . 17 NH2 HN1 1 1
17 8892 1 1 18 NH2 HN2 H -4.791 -5.635 4.222 1.00 . A A . 17 NH2 HN2 1 1
17 8893 1 1 18 NH2 N N -4.807 -6.590 4.548 1.00 . A A . 17 NH2 N 1 1
17 8894 2 1 1 ACE C C 15.532 1.741 -12.775 1.00 . B B . 0 ACE C 1 1
17 8895 2 1 1 ACE CH3 C 15.359 1.609 -14.280 1.00 . B B . 0 ACE CH3 1 1
17 8896 2 1 1 ACE H1 H 14.815 0.694 -14.507 1.00 . B B . 0 ACE H1 1 1
17 8897 2 1 1 ACE H2 H 14.800 2.460 -14.661 1.00 . B B . 0 ACE H2 1 1
17 8898 2 1 1 ACE H3 H 16.336 1.574 -14.760 1.00 . B B . 0 ACE H3 1 1
17 8899 2 1 1 ACE O O 16.638 1.583 -12.274 1.00 . B B . 0 ACE O 1 1
17 8900 2 1 2 ASP C C 14.551 0.741 -9.889 1.00 . B B . 1 ASP C 1 1
17 8901 2 1 2 ASP CA C 14.431 2.096 -10.589 1.00 . B B . 1 ASP CA 1 1
17 8902 2 1 2 ASP CB C 13.121 2.747 -10.147 1.00 . B B . 1 ASP CB 1 1
17 8903 2 1 2 ASP CG C 13.137 4.237 -10.429 1.00 . B B . 1 ASP CG 1 1
17 8904 2 1 2 ASP H H 13.558 2.127 -12.525 1.00 . B B . 1 ASP H 1 1
17 8905 2 1 2 ASP HA H 15.269 2.714 -10.261 1.00 . B B . 1 ASP HA 1 1
17 8906 2 1 2 ASP HB2 H 12.279 2.269 -10.647 1.00 . B B . 1 ASP HB2 1 1
17 8907 2 1 2 ASP HB3 H 13.000 2.603 -9.076 1.00 . B B . 1 ASP HB3 1 1
17 8908 2 1 2 ASP N N 14.442 2.014 -12.051 1.00 . B B . 1 ASP N 1 1
17 8909 2 1 2 ASP O O 14.777 0.716 -8.684 1.00 . B B . 1 ASP O 1 1
17 8910 2 1 2 ASP OD1 O 13.906 4.942 -9.762 1.00 . B B . 1 ASP OD1 1 1
17 8911 2 1 2 ASP OD2 O 12.380 4.654 -11.336 1.00 . B B . 1 ASP OD2 1 1
17 8912 2 1 3 ALA C C 15.175 -2.161 -9.065 1.00 . B B . 2 ALA C 1 1
17 8913 2 1 3 ALA CA C 14.263 -1.742 -10.213 1.00 . B B . 2 ALA CA 1 1
17 8914 2 1 3 ALA CB C 14.566 -2.613 -11.427 1.00 . B B . 2 ALA CB 1 1
17 8915 2 1 3 ALA H H 14.160 -0.181 -11.612 1.00 . B B . 2 ALA H 1 1
17 8916 2 1 3 ALA HA H 13.236 -1.922 -9.906 1.00 . B B . 2 ALA HA 1 1
17 8917 2 1 3 ALA HB1 H 14.699 -3.648 -11.120 1.00 . B B . 2 ALA HB1 1 1
17 8918 2 1 3 ALA HB2 H 13.741 -2.542 -12.132 1.00 . B B . 2 ALA HB2 1 1
17 8919 2 1 3 ALA HB3 H 15.482 -2.268 -11.904 1.00 . B B . 2 ALA HB3 1 1
17 8920 2 1 3 ALA N N 14.375 -0.351 -10.641 1.00 . B B . 2 ALA N 1 1
17 8921 2 1 3 ALA O O 14.733 -2.917 -8.210 1.00 . B B . 2 ALA O 1 1
17 8922 2 1 4 GLU C C 16.918 -1.693 -6.578 1.00 . B B . 3 GLU C 1 1
17 8923 2 1 4 GLU CA C 17.404 -1.976 -8.003 1.00 . B B . 3 GLU CA 1 1
17 8924 2 1 4 GLU CB C 18.701 -1.223 -8.307 1.00 . B B . 3 GLU CB 1 1
17 8925 2 1 4 GLU CD C 19.750 0.989 -8.890 1.00 . B B . 3 GLU CD 1 1
17 8926 2 1 4 GLU CG C 18.508 0.300 -8.360 1.00 . B B . 3 GLU CG 1 1
17 8927 2 1 4 GLU H H 16.710 -1.060 -9.779 1.00 . B B . 3 GLU H 1 1
17 8928 2 1 4 GLU HA H 17.626 -3.036 -8.059 1.00 . B B . 3 GLU HA 1 1
17 8929 2 1 4 GLU HB2 H 19.440 -1.462 -7.543 1.00 . B B . 3 GLU HB2 1 1
17 8930 2 1 4 GLU HB3 H 19.085 -1.567 -9.267 1.00 . B B . 3 GLU HB3 1 1
17 8931 2 1 4 GLU HG2 H 17.671 0.543 -9.018 1.00 . B B . 3 GLU HG2 1 1
17 8932 2 1 4 GLU HG3 H 18.296 0.678 -7.362 1.00 . B B . 3 GLU HG3 1 1
17 8933 2 1 4 GLU N N 16.419 -1.677 -9.034 1.00 . B B . 3 GLU N 1 1
17 8934 2 1 4 GLU O O 17.263 -2.446 -5.679 1.00 . B B . 3 GLU O 1 1
17 8935 2 1 4 GLU OE1 O 20.863 0.542 -8.590 1.00 . B B . 3 GLU OE1 1 1
17 8936 2 1 4 GLU OE2 O 19.576 1.987 -9.623 1.00 . B B . 3 GLU OE2 1 1
17 8937 2 1 5 PHE C C 13.931 -0.596 -5.169 1.00 . B B . 4 PHE C 1 1
17 8938 2 1 5 PHE CA C 15.449 -0.419 -5.075 1.00 . B B . 4 PHE CA 1 1
17 8939 2 1 5 PHE CB C 15.855 0.963 -4.576 1.00 . B B . 4 PHE CB 1 1
17 8940 2 1 5 PHE CD1 C 13.908 2.508 -4.912 1.00 . B B . 4 PHE CD1 1 1
17 8941 2 1 5 PHE CD2 C 15.788 2.656 -6.449 1.00 . B B . 4 PHE CD2 1 1
17 8942 2 1 5 PHE CE1 C 13.253 3.534 -5.607 1.00 . B B . 4 PHE CE1 1 1
17 8943 2 1 5 PHE CE2 C 15.138 3.687 -7.144 1.00 . B B . 4 PHE CE2 1 1
17 8944 2 1 5 PHE CG C 15.180 2.084 -5.320 1.00 . B B . 4 PHE CG 1 1
17 8945 2 1 5 PHE CZ C 13.866 4.122 -6.724 1.00 . B B . 4 PHE CZ 1 1
17 8946 2 1 5 PHE H H 15.846 -0.061 -7.129 1.00 . B B . 4 PHE H 1 1
17 8947 2 1 5 PHE HA H 15.807 -1.136 -4.342 1.00 . B B . 4 PHE HA 1 1
17 8948 2 1 5 PHE HB2 H 15.599 1.038 -3.521 1.00 . B B . 4 PHE HB2 1 1
17 8949 2 1 5 PHE HB3 H 16.937 1.071 -4.661 1.00 . B B . 4 PHE HB3 1 1
17 8950 2 1 5 PHE HD1 H 13.434 2.014 -4.076 1.00 . B B . 4 PHE HD1 1 1
17 8951 2 1 5 PHE HD2 H 16.736 2.274 -6.790 1.00 . B B . 4 PHE HD2 1 1
17 8952 2 1 5 PHE HE1 H 12.280 3.864 -5.281 1.00 . B B . 4 PHE HE1 1 1
17 8953 2 1 5 PHE HE2 H 15.612 4.134 -8.004 1.00 . B B . 4 PHE HE2 1 1
17 8954 2 1 5 PHE HZ H 13.359 4.913 -7.256 1.00 . B B . 4 PHE HZ 1 1
17 8955 2 1 5 PHE N N 16.091 -0.668 -6.361 1.00 . B B . 4 PHE N 1 1
17 8956 2 1 5 PHE O O 13.307 -0.915 -4.162 1.00 . B B . 4 PHE O 1 1
17 8957 2 1 6 ARG C C 12.110 -2.504 -6.899 1.00 . B B . 5 ARG C 1 1
17 8958 2 1 6 ARG CA C 12.014 -0.991 -6.683 1.00 . B B . 5 ARG CA 1 1
17 8959 2 1 6 ARG CB C 11.426 -0.230 -7.877 1.00 . B B . 5 ARG CB 1 1
17 8960 2 1 6 ARG CD C 9.846 1.222 -6.435 1.00 . B B . 5 ARG CD 1 1
17 8961 2 1 6 ARG CG C 10.939 1.181 -7.516 1.00 . B B . 5 ARG CG 1 1
17 8962 2 1 6 ARG CZ C 7.655 0.559 -7.454 1.00 . B B . 5 ARG CZ 1 1
17 8963 2 1 6 ARG H H 13.902 -0.174 -7.153 1.00 . B B . 5 ARG H 1 1
17 8964 2 1 6 ARG HA H 11.364 -0.841 -5.826 1.00 . B B . 5 ARG HA 1 1
17 8965 2 1 6 ARG HB2 H 12.184 -0.155 -8.653 1.00 . B B . 5 ARG HB2 1 1
17 8966 2 1 6 ARG HB3 H 10.585 -0.791 -8.284 1.00 . B B . 5 ARG HB3 1 1
17 8967 2 1 6 ARG HD2 H 10.284 0.959 -5.477 1.00 . B B . 5 ARG HD2 1 1
17 8968 2 1 6 ARG HD3 H 9.455 2.232 -6.342 1.00 . B B . 5 ARG HD3 1 1
17 8969 2 1 6 ARG HE H 8.830 -0.629 -6.324 1.00 . B B . 5 ARG HE 1 1
17 8970 2 1 6 ARG HG2 H 11.784 1.776 -7.174 1.00 . B B . 5 ARG HG2 1 1
17 8971 2 1 6 ARG HG3 H 10.553 1.639 -8.422 1.00 . B B . 5 ARG HG3 1 1
17 8972 2 1 6 ARG HH11 H 8.117 2.493 -7.885 1.00 . B B . 5 ARG HH11 1 1
17 8973 2 1 6 ARG HH12 H 6.630 1.903 -8.586 1.00 . B B . 5 ARG HH12 1 1
17 8974 2 1 6 ARG HH21 H 6.880 -1.310 -7.236 1.00 . B B . 5 ARG HH21 1 1
17 8975 2 1 6 ARG HH22 H 5.945 -0.217 -8.228 1.00 . B B . 5 ARG HH22 1 1
17 8976 2 1 6 ARG N N 13.343 -0.481 -6.370 1.00 . B B . 5 ARG N 1 1
17 8977 2 1 6 ARG NE N 8.742 0.297 -6.718 1.00 . B B . 5 ARG NE 1 1
17 8978 2 1 6 ARG NH1 N 7.442 1.753 -8.005 1.00 . B B . 5 ARG NH1 1 1
17 8979 2 1 6 ARG NH2 N 6.754 -0.399 -7.653 1.00 . B B . 5 ARG NH2 1 1
17 8980 2 1 6 ARG O O 11.864 -3.036 -7.977 1.00 . B B . 5 ARG O 1 1
17 8981 2 1 7 ARG C C 11.419 -5.350 -5.682 1.00 . B B . 6 ARG C 1 1
17 8982 2 1 7 ARG CA C 12.753 -4.604 -5.721 1.00 . B B . 6 ARG CA 1 1
17 8983 2 1 7 ARG CB C 13.530 -4.812 -4.412 1.00 . B B . 6 ARG CB 1 1
17 8984 2 1 7 ARG CD C 15.952 -5.207 -5.173 1.00 . B B . 6 ARG CD 1 1
17 8985 2 1 7 ARG CG C 14.976 -4.305 -4.412 1.00 . B B . 6 ARG CG 1 1
17 8986 2 1 7 ARG CZ C 16.517 -5.712 -7.545 1.00 . B B . 6 ARG CZ 1 1
17 8987 2 1 7 ARG H H 12.727 -2.655 -4.999 1.00 . B B . 6 ARG H 1 1
17 8988 2 1 7 ARG HA H 13.343 -4.938 -6.569 1.00 . B B . 6 ARG HA 1 1
17 8989 2 1 7 ARG HB2 H 13.021 -4.238 -3.640 1.00 . B B . 6 ARG HB2 1 1
17 8990 2 1 7 ARG HB3 H 13.514 -5.863 -4.126 1.00 . B B . 6 ARG HB3 1 1
17 8991 2 1 7 ARG HD2 H 16.963 -5.009 -4.820 1.00 . B B . 6 ARG HD2 1 1
17 8992 2 1 7 ARG HD3 H 15.710 -6.246 -4.973 1.00 . B B . 6 ARG HD3 1 1
17 8993 2 1 7 ARG HE H 15.426 -4.140 -6.919 1.00 . B B . 6 ARG HE 1 1
17 8994 2 1 7 ARG HG2 H 15.013 -3.288 -4.802 1.00 . B B . 6 ARG HG2 1 1
17 8995 2 1 7 ARG HG3 H 15.302 -4.267 -3.375 1.00 . B B . 6 ARG HG3 1 1
17 8996 2 1 7 ARG HH11 H 17.318 -7.074 -6.263 1.00 . B B . 6 ARG HH11 1 1
17 8997 2 1 7 ARG HH12 H 17.650 -7.350 -7.958 1.00 . B B . 6 ARG HH12 1 1
17 8998 2 1 7 ARG HH21 H 15.858 -4.552 -9.080 1.00 . B B . 6 ARG HH21 1 1
17 8999 2 1 7 ARG HH22 H 16.831 -5.929 -9.544 1.00 . B B . 6 ARG HH22 1 1
17 9000 2 1 7 ARG N N 12.516 -3.186 -5.829 1.00 . B B . 6 ARG N 1 1
17 9001 2 1 7 ARG NE N 15.919 -4.965 -6.613 1.00 . B B . 6 ARG NE 1 1
17 9002 2 1 7 ARG NH1 N 17.228 -6.793 -7.229 1.00 . B B . 6 ARG NH1 1 1
17 9003 2 1 7 ARG NH2 N 16.397 -5.366 -8.825 1.00 . B B . 6 ARG NH2 1 1
17 9004 2 1 7 ARG O O 10.543 -4.998 -4.897 1.00 . B B . 6 ARG O 1 1
17 9005 2 1 8 ASP C C 10.159 -8.104 -5.058 1.00 . B B . 7 ASP C 1 1
17 9006 2 1 8 ASP CA C 10.140 -7.325 -6.371 1.00 . B B . 7 ASP CA 1 1
17 9007 2 1 8 ASP CB C 10.134 -8.311 -7.544 1.00 . B B . 7 ASP CB 1 1
17 9008 2 1 8 ASP CG C 9.856 -7.609 -8.861 1.00 . B B . 7 ASP CG 1 1
17 9009 2 1 8 ASP H H 12.019 -6.661 -7.115 1.00 . B B . 7 ASP H 1 1
17 9010 2 1 8 ASP HA H 9.218 -6.742 -6.396 1.00 . B B . 7 ASP HA 1 1
17 9011 2 1 8 ASP HB2 H 11.092 -8.830 -7.592 1.00 . B B . 7 ASP HB2 1 1
17 9012 2 1 8 ASP HB3 H 9.349 -9.052 -7.387 1.00 . B B . 7 ASP HB3 1 1
17 9013 2 1 8 ASP N N 11.273 -6.411 -6.481 1.00 . B B . 7 ASP N 1 1
17 9014 2 1 8 ASP O O 9.106 -8.572 -4.644 1.00 . B B . 7 ASP O 1 1
17 9015 2 1 8 ASP OD1 O 8.880 -6.843 -8.918 1.00 . B B . 7 ASP OD1 1 1
17 9016 2 1 8 ASP OD2 O 10.620 -7.834 -9.813 1.00 . B B . 7 ASP OD2 1 1
17 9017 2 1 9 SER C C 10.714 -8.461 -1.978 1.00 . B B . 8 SER C 1 1
17 9018 2 1 9 SER CA C 11.521 -8.982 -3.175 1.00 . B B . 8 SER CA 1 1
17 9019 2 1 9 SER CB C 13.015 -9.009 -2.845 1.00 . B B . 8 SER CB 1 1
17 9020 2 1 9 SER H H 12.153 -7.847 -4.830 1.00 . B B . 8 SER H 1 1
17 9021 2 1 9 SER HA H 11.203 -10.006 -3.365 1.00 . B B . 8 SER HA 1 1
17 9022 2 1 9 SER HB2 H 13.438 -8.011 -2.961 1.00 . B B . 8 SER HB2 1 1
17 9023 2 1 9 SER HB3 H 13.161 -9.339 -1.817 1.00 . B B . 8 SER HB3 1 1
17 9024 2 1 9 SER HG H 14.617 -9.923 -3.460 1.00 . B B . 8 SER HG 1 1
17 9025 2 1 9 SER N N 11.321 -8.229 -4.404 1.00 . B B . 8 SER N 1 1
17 9026 2 1 9 SER O O 10.607 -9.182 -0.991 1.00 . B B . 8 SER O 1 1
17 9027 2 1 9 SER OG O 13.684 -9.910 -3.698 1.00 . B B . 8 SER OG 1 1
17 9028 2 1 10 GLY C C 7.767 -6.877 -1.807 1.00 . B B . 9 GLY C 1 1
17 9029 2 1 10 GLY CA C 9.108 -6.840 -1.084 1.00 . B B . 9 GLY CA 1 1
17 9030 2 1 10 GLY H H 10.113 -6.754 -2.919 1.00 . B B . 9 GLY H 1 1
17 9031 2 1 10 GLY HA2 H 9.062 -7.509 -0.228 1.00 . B B . 9 GLY HA2 1 1
17 9032 2 1 10 GLY HA3 H 9.350 -5.844 -0.728 1.00 . B B . 9 GLY HA3 1 1
17 9033 2 1 10 GLY N N 10.101 -7.271 -2.050 1.00 . B B . 9 GLY N 1 1
17 9034 2 1 10 GLY O O 7.348 -7.957 -2.206 1.00 . B B . 9 GLY O 1 1
17 9035 2 1 11 TYR C C 6.222 -3.468 -1.775 1.00 . B B . 10 TYR C 1 1
17 9036 2 1 11 TYR CA C 7.398 -4.414 -1.557 1.00 . B B . 10 TYR CA 1 1
17 9037 2 1 11 TYR CB C 8.609 -3.864 -2.325 1.00 . B B . 10 TYR CB 1 1
17 9038 2 1 11 TYR CD1 C 9.624 -2.493 -0.435 1.00 . B B . 10 TYR CD1 1 1
17 9039 2 1 11 TYR CD2 C 11.048 -3.964 -1.741 1.00 . B B . 10 TYR CD2 1 1
17 9040 2 1 11 TYR CE1 C 10.737 -2.079 0.311 1.00 . B B . 10 TYR CE1 1 1
17 9041 2 1 11 TYR CE2 C 12.162 -3.567 -0.991 1.00 . B B . 10 TYR CE2 1 1
17 9042 2 1 11 TYR CG C 9.780 -3.430 -1.473 1.00 . B B . 10 TYR CG 1 1
17 9043 2 1 11 TYR CZ C 12.009 -2.628 0.047 1.00 . B B . 10 TYR CZ 1 1
17 9044 2 1 11 TYR H H 6.326 -5.787 -2.681 1.00 . B B . 10 TYR H 1 1
17 9045 2 1 11 TYR HA H 7.625 -4.453 -0.492 1.00 . B B . 10 TYR HA 1 1
17 9046 2 1 11 TYR HB2 H 8.954 -4.617 -3.027 1.00 . B B . 10 TYR HB2 1 1
17 9047 2 1 11 TYR HB3 H 8.298 -3.023 -2.937 1.00 . B B . 10 TYR HB3 1 1
17 9048 2 1 11 TYR HD1 H 8.659 -2.075 -0.213 1.00 . B B . 10 TYR HD1 1 1
17 9049 2 1 11 TYR HD2 H 11.163 -4.709 -2.508 1.00 . B B . 10 TYR HD2 1 1
17 9050 2 1 11 TYR HE1 H 10.617 -1.364 1.105 1.00 . B B . 10 TYR HE1 1 1
17 9051 2 1 11 TYR HE2 H 13.125 -4.003 -1.193 1.00 . B B . 10 TYR HE2 1 1
17 9052 2 1 11 TYR HH H 12.864 -1.620 1.474 1.00 . B B . 10 TYR HH 1 1
17 9053 2 1 11 TYR N N 7.076 -5.751 -2.018 1.00 . B B . 10 TYR N 1 1
17 9054 2 1 11 TYR O O 5.360 -3.671 -2.629 1.00 . B B . 10 TYR O 1 1
17 9055 2 1 11 TYR OH O 13.081 -2.282 0.810 1.00 . B B . 10 TYR OH 1 1
17 9056 2 1 12 GLU C C 6.502 -0.015 -0.894 1.00 . B B . 11 GLU C 1 1
17 9057 2 1 12 GLU CA C 5.580 -1.141 -1.361 1.00 . B B . 11 GLU CA 1 1
17 9058 2 1 12 GLU CB C 4.233 -1.172 -0.654 1.00 . B B . 11 GLU CB 1 1
17 9059 2 1 12 GLU CD C 2.194 0.216 -0.192 1.00 . B B . 11 GLU CD 1 1
17 9060 2 1 12 GLU CG C 3.338 -0.040 -1.155 1.00 . B B . 11 GLU CG 1 1
17 9061 2 1 12 GLU H H 6.951 -2.301 -0.303 1.00 . B B . 11 GLU H 1 1
17 9062 2 1 12 GLU HA H 5.427 -1.081 -2.439 1.00 . B B . 11 GLU HA 1 1
17 9063 2 1 12 GLU HB2 H 3.739 -2.123 -0.847 1.00 . B B . 11 GLU HB2 1 1
17 9064 2 1 12 GLU HB3 H 4.394 -1.083 0.417 1.00 . B B . 11 GLU HB3 1 1
17 9065 2 1 12 GLU HG2 H 3.921 0.876 -1.246 1.00 . B B . 11 GLU HG2 1 1
17 9066 2 1 12 GLU HG3 H 2.940 -0.299 -2.134 1.00 . B B . 11 GLU HG3 1 1
17 9067 2 1 12 GLU N N 6.281 -2.356 -1.053 1.00 . B B . 11 GLU N 1 1
17 9068 2 1 12 GLU O O 6.303 0.564 0.169 1.00 . B B . 11 GLU O 1 1
17 9069 2 1 12 GLU OE1 O 1.898 -0.640 0.656 1.00 . B B . 11 GLU OE1 1 1
17 9070 2 1 12 GLU OE2 O 1.626 1.324 -0.292 1.00 . B B . 11 GLU OE2 1 1
17 9071 2 1 13 VAL C C 8.344 2.439 -0.862 1.00 . B B . 12 VAL C 1 1
17 9072 2 1 13 VAL CA C 8.715 1.058 -1.396 1.00 . B B . 12 VAL CA 1 1
17 9073 2 1 13 VAL CB C 9.596 1.134 -2.662 1.00 . B B . 12 VAL CB 1 1
17 9074 2 1 13 VAL CG1 C 10.602 2.291 -2.647 1.00 . B B . 12 VAL CG1 1 1
17 9075 2 1 13 VAL CG2 C 10.383 -0.177 -2.810 1.00 . B B . 12 VAL CG2 1 1
17 9076 2 1 13 VAL H H 7.597 -0.279 -2.556 1.00 . B B . 12 VAL H 1 1
17 9077 2 1 13 VAL HA H 9.295 0.556 -0.630 1.00 . B B . 12 VAL HA 1 1
17 9078 2 1 13 VAL HB H 8.956 1.267 -3.535 1.00 . B B . 12 VAL HB 1 1
17 9079 2 1 13 VAL HG11 H 11.188 2.251 -1.732 1.00 . B B . 12 VAL HG11 1 1
17 9080 2 1 13 VAL HG12 H 11.258 2.220 -3.512 1.00 . B B . 12 VAL HG12 1 1
17 9081 2 1 13 VAL HG13 H 10.080 3.245 -2.698 1.00 . B B . 12 VAL HG13 1 1
17 9082 2 1 13 VAL HG21 H 9.696 -1.016 -2.878 1.00 . B B . 12 VAL HG21 1 1
17 9083 2 1 13 VAL HG22 H 10.968 -0.143 -3.722 1.00 . B B . 12 VAL HG22 1 1
17 9084 2 1 13 VAL HG23 H 11.051 -0.312 -1.960 1.00 . B B . 12 VAL HG23 1 1
17 9085 2 1 13 VAL N N 7.554 0.226 -1.685 1.00 . B B . 12 VAL N 1 1
17 9086 2 1 13 VAL O O 9.098 2.982 -0.062 1.00 . B B . 12 VAL O 1 1
17 9087 2 1 14 HIS C C 6.586 4.487 0.655 1.00 . B B . 13 HIS C 1 1
17 9088 2 1 14 HIS CA C 6.789 4.329 -0.857 1.00 . B B . 13 HIS CA 1 1
17 9089 2 1 14 HIS CB C 5.519 4.721 -1.616 1.00 . B B . 13 HIS CB 1 1
17 9090 2 1 14 HIS CD2 C 4.082 6.507 -0.479 1.00 . B B . 13 HIS CD2 1 1
17 9091 2 1 14 HIS CE1 C 5.073 8.327 -1.197 1.00 . B B . 13 HIS CE1 1 1
17 9092 2 1 14 HIS CG C 5.088 6.132 -1.322 1.00 . B B . 13 HIS CG 1 1
17 9093 2 1 14 HIS H H 6.597 2.490 -1.892 1.00 . B B . 13 HIS H 1 1
17 9094 2 1 14 HIS HA H 7.602 4.988 -1.155 1.00 . B B . 13 HIS HA 1 1
17 9095 2 1 14 HIS HB2 H 5.700 4.638 -2.684 1.00 . B B . 13 HIS HB2 1 1
17 9096 2 1 14 HIS HB3 H 4.713 4.037 -1.348 1.00 . B B . 13 HIS HB3 1 1
17 9097 2 1 14 HIS HD1 H 6.507 7.337 -2.364 1.00 . B B . 13 HIS HD1 1 1
17 9098 2 1 14 HIS HD2 H 3.430 5.840 0.063 1.00 . B B . 13 HIS HD2 1 1
17 9099 2 1 14 HIS HE1 H 5.326 9.364 -1.362 1.00 . B B . 13 HIS HE1 1 1
17 9100 2 1 14 HIS N N 7.194 2.995 -1.253 1.00 . B B . 13 HIS N 1 1
17 9101 2 1 14 HIS ND1 N 5.705 7.283 -1.754 1.00 . B B . 13 HIS ND1 1 1
17 9102 2 1 14 HIS NE2 N 4.073 7.902 -0.415 1.00 . B B . 13 HIS NE2 1 1
17 9103 2 1 14 HIS O O 6.659 5.615 1.132 1.00 . B B . 13 HIS O 1 1
17 9104 2 1 15 HIS C C 6.500 2.189 3.637 1.00 . B B . 14 HIS C 1 1
17 9105 2 1 15 HIS CA C 6.314 3.507 2.875 1.00 . B B . 14 HIS CA 1 1
17 9106 2 1 15 HIS CB C 5.034 4.234 3.328 1.00 . B B . 14 HIS CB 1 1
17 9107 2 1 15 HIS CD2 C 3.236 2.798 2.181 1.00 . B B . 14 HIS CD2 1 1
17 9108 2 1 15 HIS CE1 C 1.957 2.379 3.905 1.00 . B B . 14 HIS CE1 1 1
17 9109 2 1 15 HIS CG C 3.791 3.398 3.279 1.00 . B B . 14 HIS CG 1 1
17 9110 2 1 15 HIS H H 6.349 2.489 0.992 1.00 . B B . 14 HIS H 1 1
17 9111 2 1 15 HIS HA H 7.149 4.138 3.161 1.00 . B B . 14 HIS HA 1 1
17 9112 2 1 15 HIS HB2 H 5.183 4.563 4.356 1.00 . B B . 14 HIS HB2 1 1
17 9113 2 1 15 HIS HB3 H 4.862 5.132 2.738 1.00 . B B . 14 HIS HB3 1 1
17 9114 2 1 15 HIS HD1 H 3.104 3.454 5.296 1.00 . B B . 14 HIS HD1 1 1
17 9115 2 1 15 HIS HD2 H 3.623 2.821 1.174 1.00 . B B . 14 HIS HD2 1 1
17 9116 2 1 15 HIS HE1 H 1.143 2.030 4.524 1.00 . B B . 14 HIS HE1 1 1
17 9117 2 1 15 HIS N N 6.376 3.405 1.421 1.00 . B B . 14 HIS N 1 1
17 9118 2 1 15 HIS ND1 N 2.979 3.123 4.347 1.00 . B B . 14 HIS ND1 1 1
17 9119 2 1 15 HIS NE2 N 2.067 2.154 2.589 1.00 . B B . 14 HIS NE2 1 1
17 9120 2 1 15 HIS O O 6.677 2.240 4.845 1.00 . B B . 14 HIS O 1 1
17 9121 2 1 16 GLN C C 7.995 -0.886 3.244 1.00 . B B . 15 GLN C 1 1
17 9122 2 1 16 GLN CA C 6.658 -0.270 3.628 1.00 . B B . 15 GLN CA 1 1
17 9123 2 1 16 GLN CB C 5.542 -1.233 3.216 1.00 . B B . 15 GLN CB 1 1
17 9124 2 1 16 GLN CD C 3.714 -0.499 4.865 1.00 . B B . 15 GLN CD 1 1
17 9125 2 1 16 GLN CG C 4.103 -0.732 3.407 1.00 . B B . 15 GLN CG 1 1
17 9126 2 1 16 GLN H H 6.321 1.007 1.995 1.00 . B B . 15 GLN H 1 1
17 9127 2 1 16 GLN HA H 6.653 -0.147 4.705 1.00 . B B . 15 GLN HA 1 1
17 9128 2 1 16 GLN HB2 H 5.687 -1.453 2.164 1.00 . B B . 15 GLN HB2 1 1
17 9129 2 1 16 GLN HB3 H 5.667 -2.159 3.773 1.00 . B B . 15 GLN HB3 1 1
17 9130 2 1 16 GLN HE21 H 1.727 -0.522 4.444 1.00 . B B . 15 GLN HE21 1 1
17 9131 2 1 16 GLN HE22 H 2.143 -0.288 6.125 1.00 . B B . 15 GLN HE22 1 1
17 9132 2 1 16 GLN HG2 H 3.960 0.187 2.846 1.00 . B B . 15 GLN HG2 1 1
17 9133 2 1 16 GLN HG3 H 3.433 -1.476 2.982 1.00 . B B . 15 GLN HG3 1 1
17 9134 2 1 16 GLN N N 6.478 1.023 2.987 1.00 . B B . 15 GLN N 1 1
17 9135 2 1 16 GLN NE2 N 2.425 -0.420 5.164 1.00 . B B . 15 GLN NE2 1 1
17 9136 2 1 16 GLN O O 8.467 -0.694 2.127 1.00 . B B . 15 GLN O 1 1
17 9137 2 1 16 GLN OE1 O 4.559 -0.390 5.738 1.00 . B B . 15 GLN OE1 1 1
17 9138 2 1 17 LYS C C 9.764 -3.551 3.041 1.00 . B B . 16 LYS C 1 1
17 9139 2 1 17 LYS CA C 9.843 -2.352 3.995 1.00 . B B . 16 LYS CA 1 1
17 9140 2 1 17 LYS CB C 10.384 -2.825 5.353 1.00 . B B . 16 LYS CB 1 1
17 9141 2 1 17 LYS CD C 11.251 -2.209 7.619 1.00 . B B . 16 LYS CD 1 1
17 9142 2 1 17 LYS CE C 11.479 -1.100 8.642 1.00 . B B . 16 LYS CE 1 1
17 9143 2 1 17 LYS CG C 10.466 -1.711 6.402 1.00 . B B . 16 LYS CG 1 1
17 9144 2 1 17 LYS H H 8.059 -1.846 5.022 1.00 . B B . 16 LYS H 1 1
17 9145 2 1 17 LYS HA H 10.552 -1.634 3.581 1.00 . B B . 16 LYS HA 1 1
17 9146 2 1 17 LYS HB2 H 9.758 -3.627 5.739 1.00 . B B . 16 LYS HB2 1 1
17 9147 2 1 17 LYS HB3 H 11.385 -3.230 5.193 1.00 . B B . 16 LYS HB3 1 1
17 9148 2 1 17 LYS HD2 H 10.731 -3.046 8.085 1.00 . B B . 16 LYS HD2 1 1
17 9149 2 1 17 LYS HD3 H 12.225 -2.554 7.281 1.00 . B B . 16 LYS HD3 1 1
17 9150 2 1 17 LYS HE2 H 12.260 -1.416 9.333 1.00 . B B . 16 LYS HE2 1 1
17 9151 2 1 17 LYS HE3 H 11.806 -0.198 8.129 1.00 . B B . 16 LYS HE3 1 1
17 9152 2 1 17 LYS HG2 H 10.984 -0.854 5.972 1.00 . B B . 16 LYS HG2 1 1
17 9153 2 1 17 LYS HG3 H 9.458 -1.417 6.704 1.00 . B B . 16 LYS HG3 1 1
17 9154 2 1 17 LYS HZ1 H 9.512 -0.559 8.793 1.00 . B B . 16 LYS HZ1 1 1
17 9155 2 1 17 LYS HZ2 H 9.996 -1.636 9.936 1.00 . B B . 16 LYS HZ2 1 1
17 9156 2 1 17 LYS HZ3 H 10.440 -0.057 10.062 1.00 . B B . 16 LYS HZ3 1 1
17 9157 2 1 17 LYS N N 8.560 -1.675 4.163 1.00 . B B . 16 LYS N 1 1
17 9158 2 1 17 LYS NZ N 10.266 -0.813 9.415 1.00 . B B . 16 LYS NZ 1 1
17 9159 2 1 17 LYS O O 10.798 -4.067 2.641 1.00 . B B . 16 LYS O 1 1
17 9160 2 1 18 NH2 HN1 H 8.528 -4.809 2.036 1.00 . B B . 17 NH2 HN1 1 1
17 9161 2 1 18 NH2 HN2 H 7.729 -3.586 3.003 1.00 . B B . 17 NH2 HN2 1 1
17 9162 2 1 18 NH2 N N 8.575 -4.018 2.661 1.00 . B B . 17 NH2 N 1 1
17 9163 3 2 1 ZN ZN ZN 0.842 0.824 1.586 1.00 . C A . 101 ZN ZN 1 1
18 9164 1 1 1 ACE C C -13.598 -3.597 -5.034 1.00 . A A . 0 ACE C 1 1
18 9165 1 1 1 ACE CH3 C -12.250 -4.022 -4.482 1.00 . A A . 0 ACE CH3 1 1
18 9166 1 1 1 ACE H1 H -11.851 -3.232 -3.847 1.00 . A A . 0 ACE H1 1 1
18 9167 1 1 1 ACE H2 H -12.372 -4.937 -3.908 1.00 . A A . 0 ACE H2 1 1
18 9168 1 1 1 ACE H3 H -11.557 -4.212 -5.302 1.00 . A A . 0 ACE H3 1 1
18 9169 1 1 1 ACE O O -13.768 -3.585 -6.244 1.00 . A A . 0 ACE O 1 1
18 9170 1 1 2 ASP C C -16.359 -1.595 -3.900 1.00 . A A . 1 ASP C 1 1
18 9171 1 1 2 ASP CA C -15.923 -2.924 -4.530 1.00 . A A . 1 ASP CA 1 1
18 9172 1 1 2 ASP CB C -16.831 -4.079 -4.103 1.00 . A A . 1 ASP CB 1 1
18 9173 1 1 2 ASP CG C -18.197 -4.071 -4.771 1.00 . A A . 1 ASP CG 1 1
18 9174 1 1 2 ASP H H -14.346 -3.300 -3.174 1.00 . A A . 1 ASP H 1 1
18 9175 1 1 2 ASP HA H -15.981 -2.825 -5.613 1.00 . A A . 1 ASP HA 1 1
18 9176 1 1 2 ASP HB2 H -16.352 -5.024 -4.358 1.00 . A A . 1 ASP HB2 1 1
18 9177 1 1 2 ASP HB3 H -16.974 -4.039 -3.023 1.00 . A A . 1 ASP HB3 1 1
18 9178 1 1 2 ASP N N -14.552 -3.260 -4.161 1.00 . A A . 1 ASP N 1 1
18 9179 1 1 2 ASP O O -15.825 -1.200 -2.866 1.00 . A A . 1 ASP O 1 1
18 9180 1 1 2 ASP OD1 O -18.309 -3.516 -5.891 1.00 . A A . 1 ASP OD1 1 1
18 9181 1 1 2 ASP OD2 O -19.117 -4.635 -4.168 1.00 . A A . 1 ASP OD2 1 1
18 9182 1 1 3 ALA C C -17.708 0.985 -2.945 1.00 . A A . 2 ALA C 1 1
18 9183 1 1 3 ALA CA C -17.647 0.501 -4.394 1.00 . A A . 2 ALA CA 1 1
18 9184 1 1 3 ALA CB C -18.985 0.776 -5.088 1.00 . A A . 2 ALA CB 1 1
18 9185 1 1 3 ALA H H -17.749 -1.377 -5.341 1.00 . A A . 2 ALA H 1 1
18 9186 1 1 3 ALA HA H -16.882 1.077 -4.913 1.00 . A A . 2 ALA HA 1 1
18 9187 1 1 3 ALA HB1 H -19.238 1.833 -4.998 1.00 . A A . 2 ALA HB1 1 1
18 9188 1 1 3 ALA HB2 H -18.902 0.522 -6.141 1.00 . A A . 2 ALA HB2 1 1
18 9189 1 1 3 ALA HB3 H -19.779 0.182 -4.637 1.00 . A A . 2 ALA HB3 1 1
18 9190 1 1 3 ALA N N -17.322 -0.919 -4.547 1.00 . A A . 2 ALA N 1 1
18 9191 1 1 3 ALA O O -17.034 1.949 -2.595 1.00 . A A . 2 ALA O 1 1
18 9192 1 1 4 GLU C C -17.589 0.774 0.206 1.00 . A A . 3 GLU C 1 1
18 9193 1 1 4 GLU CA C -18.793 0.683 -0.733 1.00 . A A . 3 GLU CA 1 1
18 9194 1 1 4 GLU CB C -19.783 -0.327 -0.167 1.00 . A A . 3 GLU CB 1 1
18 9195 1 1 4 GLU CD C -20.170 -2.719 0.442 1.00 . A A . 3 GLU CD 1 1
18 9196 1 1 4 GLU CG C -19.129 -1.698 -0.010 1.00 . A A . 3 GLU CG 1 1
18 9197 1 1 4 GLU H H -18.985 -0.499 -2.477 1.00 . A A . 3 GLU H 1 1
18 9198 1 1 4 GLU HA H -19.271 1.660 -0.756 1.00 . A A . 3 GLU HA 1 1
18 9199 1 1 4 GLU HB2 H -20.141 0.013 0.800 1.00 . A A . 3 GLU HB2 1 1
18 9200 1 1 4 GLU HB3 H -20.634 -0.404 -0.842 1.00 . A A . 3 GLU HB3 1 1
18 9201 1 1 4 GLU HG2 H -18.622 -1.990 -0.915 1.00 . A A . 3 GLU HG2 1 1
18 9202 1 1 4 GLU HG3 H -18.400 -1.664 0.818 1.00 . A A . 3 GLU HG3 1 1
18 9203 1 1 4 GLU N N -18.493 0.303 -2.109 1.00 . A A . 3 GLU N 1 1
18 9204 1 1 4 GLU O O -17.734 1.317 1.294 1.00 . A A . 3 GLU O 1 1
18 9205 1 1 4 GLU OE1 O -20.915 -3.150 -0.633 1.00 . A A . 3 GLU OE1 1 1
18 9206 1 1 4 GLU OE2 O -20.297 -3.029 1.487 1.00 . A A . 3 GLU OE2 1 1
18 9207 1 1 5 PHE C C -14.031 0.868 -0.405 1.00 . A A . 4 PHE C 1 1
18 9208 1 1 5 PHE CA C -15.163 0.414 0.523 1.00 . A A . 4 PHE CA 1 1
18 9209 1 1 5 PHE CB C -14.831 -0.888 1.228 1.00 . A A . 4 PHE CB 1 1
18 9210 1 1 5 PHE CD1 C -13.210 -2.153 -0.221 1.00 . A A . 4 PHE CD1 1 1
18 9211 1 1 5 PHE CD2 C -15.504 -2.940 -0.068 1.00 . A A . 4 PHE CD2 1 1
18 9212 1 1 5 PHE CE1 C -12.894 -3.245 -1.038 1.00 . A A . 4 PHE CE1 1 1
18 9213 1 1 5 PHE CE2 C -15.179 -4.051 -0.860 1.00 . A A . 4 PHE CE2 1 1
18 9214 1 1 5 PHE CG C -14.509 -2.020 0.287 1.00 . A A . 4 PHE CG 1 1
18 9215 1 1 5 PHE CZ C -13.868 -4.215 -1.328 1.00 . A A . 4 PHE CZ 1 1
18 9216 1 1 5 PHE H H -16.397 -0.278 -1.044 1.00 . A A . 4 PHE H 1 1
18 9217 1 1 5 PHE HA H -15.275 1.182 1.283 1.00 . A A . 4 PHE HA 1 1
18 9218 1 1 5 PHE HB2 H -13.976 -0.717 1.877 1.00 . A A . 4 PHE HB2 1 1
18 9219 1 1 5 PHE HB3 H -15.675 -1.172 1.856 1.00 . A A . 4 PHE HB3 1 1
18 9220 1 1 5 PHE HD1 H -12.459 -1.416 0.025 1.00 . A A . 4 PHE HD1 1 1
18 9221 1 1 5 PHE HD2 H -16.511 -2.802 0.291 1.00 . A A . 4 PHE HD2 1 1
18 9222 1 1 5 PHE HE1 H -11.897 -3.338 -1.425 1.00 . A A . 4 PHE HE1 1 1
18 9223 1 1 5 PHE HE2 H -15.934 -4.779 -1.107 1.00 . A A . 4 PHE HE2 1 1
18 9224 1 1 5 PHE HZ H -13.625 -5.065 -1.945 1.00 . A A . 4 PHE HZ 1 1
18 9225 1 1 5 PHE N N -16.424 0.250 -0.185 1.00 . A A . 4 PHE N 1 1
18 9226 1 1 5 PHE O O -12.943 1.171 0.075 1.00 . A A . 4 PHE O 1 1
18 9227 1 1 6 ARG C C -14.036 3.296 -2.439 1.00 . A A . 5 ARG C 1 1
18 9228 1 1 6 ARG CA C -13.546 1.849 -2.612 1.00 . A A . 5 ARG CA 1 1
18 9229 1 1 6 ARG CB C -13.634 1.314 -4.050 1.00 . A A . 5 ARG CB 1 1
18 9230 1 1 6 ARG CD C -11.398 0.027 -3.785 1.00 . A A . 5 ARG CD 1 1
18 9231 1 1 6 ARG CG C -12.855 0.002 -4.259 1.00 . A A . 5 ARG CG 1 1
18 9232 1 1 6 ARG CZ C -9.371 1.358 -4.454 1.00 . A A . 5 ARG CZ 1 1
18 9233 1 1 6 ARG H H -15.182 0.651 -2.061 1.00 . A A . 5 ARG H 1 1
18 9234 1 1 6 ARG HA H -12.506 1.830 -2.304 1.00 . A A . 5 ARG HA 1 1
18 9235 1 1 6 ARG HB2 H -14.680 1.157 -4.312 1.00 . A A . 5 ARG HB2 1 1
18 9236 1 1 6 ARG HB3 H -13.231 2.061 -4.731 1.00 . A A . 5 ARG HB3 1 1
18 9237 1 1 6 ARG HD2 H -11.382 0.005 -2.697 1.00 . A A . 5 ARG HD2 1 1
18 9238 1 1 6 ARG HD3 H -10.903 -0.869 -4.154 1.00 . A A . 5 ARG HD3 1 1
18 9239 1 1 6 ARG HE H -11.272 2.014 -4.502 1.00 . A A . 5 ARG HE 1 1
18 9240 1 1 6 ARG HG2 H -13.362 -0.804 -3.734 1.00 . A A . 5 ARG HG2 1 1
18 9241 1 1 6 ARG HG3 H -12.859 -0.232 -5.322 1.00 . A A . 5 ARG HG3 1 1
18 9242 1 1 6 ARG HH11 H -8.823 -0.473 -3.752 1.00 . A A . 5 ARG HH11 1 1
18 9243 1 1 6 ARG HH12 H -7.512 0.540 -4.312 1.00 . A A . 5 ARG HH12 1 1
18 9244 1 1 6 ARG HH21 H -9.560 3.225 -5.237 1.00 . A A . 5 ARG HH21 1 1
18 9245 1 1 6 ARG HH22 H -7.929 2.600 -5.166 1.00 . A A . 5 ARG HH22 1 1
18 9246 1 1 6 ARG N N -14.296 0.989 -1.712 1.00 . A A . 5 ARG N 1 1
18 9247 1 1 6 ARG NE N -10.690 1.222 -4.267 1.00 . A A . 5 ARG NE 1 1
18 9248 1 1 6 ARG NH1 N -8.498 0.398 -4.143 1.00 . A A . 5 ARG NH1 1 1
18 9249 1 1 6 ARG NH2 N -8.916 2.489 -4.988 1.00 . A A . 5 ARG NH2 1 1
18 9250 1 1 6 ARG O O -14.398 3.974 -3.395 1.00 . A A . 5 ARG O 1 1
18 9251 1 1 7 ARG C C -13.416 6.039 -0.680 1.00 . A A . 6 ARG C 1 1
18 9252 1 1 7 ARG CA C -14.566 5.037 -0.739 1.00 . A A . 6 ARG CA 1 1
18 9253 1 1 7 ARG CB C -15.173 4.872 0.658 1.00 . A A . 6 ARG CB 1 1
18 9254 1 1 7 ARG CD C -17.727 4.488 0.290 1.00 . A A . 6 ARG CD 1 1
18 9255 1 1 7 ARG CG C -16.375 3.925 0.729 1.00 . A A . 6 ARG CG 1 1
18 9256 1 1 7 ARG CZ C -19.184 4.584 -1.710 1.00 . A A . 6 ARG CZ 1 1
18 9257 1 1 7 ARG H H -13.737 3.139 -0.455 1.00 . A A . 6 ARG H 1 1
18 9258 1 1 7 ARG HA H -15.332 5.387 -1.425 1.00 . A A . 6 ARG HA 1 1
18 9259 1 1 7 ARG HB2 H -14.404 4.449 1.305 1.00 . A A . 6 ARG HB2 1 1
18 9260 1 1 7 ARG HB3 H -15.460 5.847 1.053 1.00 . A A . 6 ARG HB3 1 1
18 9261 1 1 7 ARG HD2 H -18.497 3.959 0.848 1.00 . A A . 6 ARG HD2 1 1
18 9262 1 1 7 ARG HD3 H -17.791 5.545 0.538 1.00 . A A . 6 ARG HD3 1 1
18 9263 1 1 7 ARG HE H -17.367 3.694 -1.651 1.00 . A A . 6 ARG HE 1 1
18 9264 1 1 7 ARG HG2 H -16.156 3.022 0.165 1.00 . A A . 6 ARG HG2 1 1
18 9265 1 1 7 ARG HG3 H -16.484 3.648 1.774 1.00 . A A . 6 ARG HG3 1 1
18 9266 1 1 7 ARG HH11 H -19.978 5.557 -0.102 1.00 . A A . 6 ARG HH11 1 1
18 9267 1 1 7 ARG HH12 H -20.995 5.500 -1.521 1.00 . A A . 6 ARG HH12 1 1
18 9268 1 1 7 ARG HH21 H -18.714 3.704 -3.486 1.00 . A A . 6 ARG HH21 1 1
18 9269 1 1 7 ARG HH22 H -20.288 4.458 -3.416 1.00 . A A . 6 ARG HH22 1 1
18 9270 1 1 7 ARG N N -14.074 3.748 -1.183 1.00 . A A . 6 ARG N 1 1
18 9271 1 1 7 ARG NE N -18.019 4.263 -1.129 1.00 . A A . 6 ARG NE 1 1
18 9272 1 1 7 ARG NH1 N -20.130 5.265 -1.055 1.00 . A A . 6 ARG NH1 1 1
18 9273 1 1 7 ARG NH2 N -19.419 4.208 -2.966 1.00 . A A . 6 ARG NH2 1 1
18 9274 1 1 7 ARG O O -12.248 5.672 -0.591 1.00 . A A . 6 ARG O 1 1
18 9275 1 1 8 ASP C C -12.235 8.598 0.868 1.00 . A A . 7 ASP C 1 1
18 9276 1 1 8 ASP CA C -12.795 8.409 -0.547 1.00 . A A . 7 ASP CA 1 1
18 9277 1 1 8 ASP CB C -13.483 9.695 -0.993 1.00 . A A . 7 ASP CB 1 1
18 9278 1 1 8 ASP CG C -14.622 10.144 -0.080 1.00 . A A . 7 ASP CG 1 1
18 9279 1 1 8 ASP H H -14.728 7.574 -0.744 1.00 . A A . 7 ASP H 1 1
18 9280 1 1 8 ASP HA H -11.963 8.220 -1.227 1.00 . A A . 7 ASP HA 1 1
18 9281 1 1 8 ASP HB2 H -12.726 10.465 -1.004 1.00 . A A . 7 ASP HB2 1 1
18 9282 1 1 8 ASP HB3 H -13.860 9.558 -2.002 1.00 . A A . 7 ASP HB3 1 1
18 9283 1 1 8 ASP N N -13.752 7.322 -0.670 1.00 . A A . 7 ASP N 1 1
18 9284 1 1 8 ASP O O -11.185 9.212 1.022 1.00 . A A . 7 ASP O 1 1
18 9285 1 1 8 ASP OD1 O -15.415 9.326 0.370 1.00 . A A . 7 ASP OD1 1 1
18 9286 1 1 8 ASP OD2 O -14.672 11.383 0.162 1.00 . A A . 7 ASP OD2 1 1
18 9287 1 1 9 SER C C -11.339 7.884 3.863 1.00 . A A . 8 SER C 1 1
18 9288 1 1 9 SER CA C -12.651 8.444 3.291 1.00 . A A . 8 SER CA 1 1
18 9289 1 1 9 SER CB C -13.843 8.044 4.172 1.00 . A A . 8 SER CB 1 1
18 9290 1 1 9 SER H H -13.836 7.712 1.694 1.00 . A A . 8 SER H 1 1
18 9291 1 1 9 SER HA H -12.561 9.522 3.328 1.00 . A A . 8 SER HA 1 1
18 9292 1 1 9 SER HB2 H -14.024 6.974 4.082 1.00 . A A . 8 SER HB2 1 1
18 9293 1 1 9 SER HB3 H -13.622 8.283 5.211 1.00 . A A . 8 SER HB3 1 1
18 9294 1 1 9 SER HG H -15.711 8.512 4.408 1.00 . A A . 8 SER HG 1 1
18 9295 1 1 9 SER N N -12.933 8.110 1.898 1.00 . A A . 8 SER N 1 1
18 9296 1 1 9 SER O O -11.054 8.149 5.028 1.00 . A A . 8 SER O 1 1
18 9297 1 1 9 SER OG O -15.002 8.753 3.804 1.00 . A A . 8 SER OG 1 1
18 9298 1 1 10 GLY C C -8.152 7.230 2.689 1.00 . A A . 9 GLY C 1 1
18 9299 1 1 10 GLY CA C -9.255 6.614 3.552 1.00 . A A . 9 GLY CA 1 1
18 9300 1 1 10 GLY H H -10.693 7.054 2.105 1.00 . A A . 9 GLY H 1 1
18 9301 1 1 10 GLY HA2 H -9.069 6.843 4.600 1.00 . A A . 9 GLY HA2 1 1
18 9302 1 1 10 GLY HA3 H -9.291 5.535 3.445 1.00 . A A . 9 GLY HA3 1 1
18 9303 1 1 10 GLY N N -10.528 7.140 3.098 1.00 . A A . 9 GLY N 1 1
18 9304 1 1 10 GLY O O -8.143 8.436 2.476 1.00 . A A . 9 GLY O 1 1
18 9305 1 1 11 TYR C C -5.765 4.497 1.804 1.00 . A A . 10 TYR C 1 1
18 9306 1 1 11 TYR CA C -7.139 5.014 2.206 1.00 . A A . 10 TYR CA 1 1
18 9307 1 1 11 TYR CB C -8.165 4.434 1.221 1.00 . A A . 10 TYR CB 1 1
18 9308 1 1 11 TYR CD1 C -8.872 2.425 2.613 1.00 . A A . 10 TYR CD1 1 1
18 9309 1 1 11 TYR CD2 C -10.564 3.818 1.569 1.00 . A A . 10 TYR CD2 1 1
18 9310 1 1 11 TYR CE1 C -9.869 1.545 3.060 1.00 . A A . 10 TYR CE1 1 1
18 9311 1 1 11 TYR CE2 C -11.566 2.947 2.011 1.00 . A A . 10 TYR CE2 1 1
18 9312 1 1 11 TYR CG C -9.217 3.540 1.831 1.00 . A A . 10 TYR CG 1 1
18 9313 1 1 11 TYR CZ C -11.222 1.785 2.735 1.00 . A A . 10 TYR CZ 1 1
18 9314 1 1 11 TYR H H -6.625 6.873 1.456 1.00 . A A . 10 TYR H 1 1
18 9315 1 1 11 TYR HA H -7.352 4.676 3.221 1.00 . A A . 10 TYR HA 1 1
18 9316 1 1 11 TYR HB2 H -8.663 5.244 0.687 1.00 . A A . 10 TYR HB2 1 1
18 9317 1 1 11 TYR HB3 H -7.648 3.863 0.451 1.00 . A A . 10 TYR HB3 1 1
18 9318 1 1 11 TYR HD1 H -7.844 2.219 2.851 1.00 . A A . 10 TYR HD1 1 1
18 9319 1 1 11 TYR HD2 H -10.820 4.705 1.021 1.00 . A A . 10 TYR HD2 1 1
18 9320 1 1 11 TYR HE1 H -9.591 0.680 3.629 1.00 . A A . 10 TYR HE1 1 1
18 9321 1 1 11 TYR HE2 H -12.596 3.170 1.800 1.00 . A A . 10 TYR HE2 1 1
18 9322 1 1 11 TYR HH H -11.857 0.190 3.655 1.00 . A A . 10 TYR HH 1 1
18 9323 1 1 11 TYR N N -7.206 6.456 2.155 1.00 . A A . 10 TYR N 1 1
18 9324 1 1 11 TYR O O -5.022 5.117 1.046 1.00 . A A . 10 TYR O 1 1
18 9325 1 1 11 TYR OH O -12.197 0.929 3.143 1.00 . A A . 10 TYR OH 1 1
18 9326 1 1 12 GLU C C -5.729 0.982 1.648 1.00 . A A . 11 GLU C 1 1
18 9327 1 1 12 GLU CA C -4.931 2.259 1.379 1.00 . A A . 11 GLU CA 1 1
18 9328 1 1 12 GLU CB C -3.454 2.141 1.732 1.00 . A A . 11 GLU CB 1 1
18 9329 1 1 12 GLU CD C -1.385 0.792 1.183 1.00 . A A . 11 GLU CD 1 1
18 9330 1 1 12 GLU CG C -2.721 1.308 0.683 1.00 . A A . 11 GLU CG 1 1
18 9331 1 1 12 GLU H H -6.127 2.882 2.944 1.00 . A A . 11 GLU H 1 1
18 9332 1 1 12 GLU HA H -5.036 2.560 0.336 1.00 . A A . 11 GLU HA 1 1
18 9333 1 1 12 GLU HB2 H -3.019 3.136 1.766 1.00 . A A . 11 GLU HB2 1 1
18 9334 1 1 12 GLU HB3 H -3.366 1.688 2.716 1.00 . A A . 11 GLU HB3 1 1
18 9335 1 1 12 GLU HG2 H -3.337 0.448 0.426 1.00 . A A . 11 GLU HG2 1 1
18 9336 1 1 12 GLU HG3 H -2.559 1.908 -0.210 1.00 . A A . 11 GLU HG3 1 1
18 9337 1 1 12 GLU N N -5.539 3.255 2.215 1.00 . A A . 11 GLU N 1 1
18 9338 1 1 12 GLU O O -5.556 0.330 2.679 1.00 . A A . 11 GLU O 1 1
18 9339 1 1 12 GLU OE1 O -0.655 1.546 1.857 1.00 . A A . 11 GLU OE1 1 1
18 9340 1 1 12 GLU OE2 O -1.108 -0.391 0.925 1.00 . A A . 11 GLU OE2 1 1
18 9341 1 1 13 VAL C C -6.891 -1.764 0.970 1.00 . A A . 12 VAL C 1 1
18 9342 1 1 13 VAL CA C -7.606 -0.425 0.804 1.00 . A A . 12 VAL CA 1 1
18 9343 1 1 13 VAL CB C -8.503 -0.419 -0.456 1.00 . A A . 12 VAL CB 1 1
18 9344 1 1 13 VAL CG1 C -9.435 -1.638 -0.537 1.00 . A A . 12 VAL CG1 1 1
18 9345 1 1 13 VAL CG2 C -9.389 0.834 -0.489 1.00 . A A . 12 VAL CG2 1 1
18 9346 1 1 13 VAL H H -6.709 1.256 -0.098 1.00 . A A . 12 VAL H 1 1
18 9347 1 1 13 VAL HA H -8.232 -0.266 1.675 1.00 . A A . 12 VAL HA 1 1
18 9348 1 1 13 VAL HB H -7.867 -0.418 -1.340 1.00 . A A . 12 VAL HB 1 1
18 9349 1 1 13 VAL HG11 H -8.853 -2.550 -0.674 1.00 . A A . 12 VAL HG11 1 1
18 9350 1 1 13 VAL HG12 H -10.021 -1.713 0.376 1.00 . A A . 12 VAL HG12 1 1
18 9351 1 1 13 VAL HG13 H -10.110 -1.537 -1.386 1.00 . A A . 12 VAL HG13 1 1
18 9352 1 1 13 VAL HG21 H -10.128 0.780 0.307 1.00 . A A . 12 VAL HG21 1 1
18 9353 1 1 13 VAL HG22 H -8.790 1.731 -0.364 1.00 . A A . 12 VAL HG22 1 1
18 9354 1 1 13 VAL HG23 H -9.895 0.898 -1.447 1.00 . A A . 12 VAL HG23 1 1
18 9355 1 1 13 VAL N N -6.646 0.675 0.722 1.00 . A A . 12 VAL N 1 1
18 9356 1 1 13 VAL O O -7.455 -2.685 1.557 1.00 . A A . 12 VAL O 1 1
18 9357 1 1 14 HIS C C -4.642 -3.534 1.980 1.00 . A A . 13 HIS C 1 1
18 9358 1 1 14 HIS CA C -4.849 -3.053 0.544 1.00 . A A . 13 HIS CA 1 1
18 9359 1 1 14 HIS CB C -3.503 -2.806 -0.146 1.00 . A A . 13 HIS CB 1 1
18 9360 1 1 14 HIS CD2 C -1.452 -4.045 0.766 1.00 . A A . 13 HIS CD2 1 1
18 9361 1 1 14 HIS CE1 C -1.767 -6.018 -0.130 1.00 . A A . 13 HIS CE1 1 1
18 9362 1 1 14 HIS CG C -2.571 -3.978 -0.016 1.00 . A A . 13 HIS CG 1 1
18 9363 1 1 14 HIS H H -5.241 -1.051 0.033 1.00 . A A . 13 HIS H 1 1
18 9364 1 1 14 HIS HA H -5.409 -3.809 -0.003 1.00 . A A . 13 HIS HA 1 1
18 9365 1 1 14 HIS HB2 H -3.663 -2.599 -1.204 1.00 . A A . 13 HIS HB2 1 1
18 9366 1 1 14 HIS HB3 H -3.030 -1.936 0.303 1.00 . A A . 13 HIS HB3 1 1
18 9367 1 1 14 HIS HD1 H -3.501 -5.492 -1.191 1.00 . A A . 13 HIS HD1 1 1
18 9368 1 1 14 HIS HD2 H -1.052 -3.244 1.369 1.00 . A A . 13 HIS HD2 1 1
18 9369 1 1 14 HIS HE1 H -1.648 -7.055 -0.401 1.00 . A A . 13 HIS HE1 1 1
18 9370 1 1 14 HIS N N -5.644 -1.853 0.495 1.00 . A A . 13 HIS N 1 1
18 9371 1 1 14 HIS ND1 N -2.754 -5.224 -0.565 1.00 . A A . 13 HIS ND1 1 1
18 9372 1 1 14 HIS NE2 N -0.944 -5.342 0.683 1.00 . A A . 13 HIS NE2 1 1
18 9373 1 1 14 HIS O O -4.729 -4.733 2.207 1.00 . A A . 13 HIS O 1 1
18 9374 1 1 15 HIS C C -5.529 -3.381 5.041 1.00 . A A . 14 HIS C 1 1
18 9375 1 1 15 HIS CA C -4.208 -3.103 4.329 1.00 . A A . 14 HIS CA 1 1
18 9376 1 1 15 HIS CB C -3.334 -2.126 5.106 1.00 . A A . 14 HIS CB 1 1
18 9377 1 1 15 HIS CD2 C -1.402 -1.098 3.808 1.00 . A A . 14 HIS CD2 1 1
18 9378 1 1 15 HIS CE1 C 0.083 -2.696 3.937 1.00 . A A . 14 HIS CE1 1 1
18 9379 1 1 15 HIS CG C -1.937 -2.100 4.554 1.00 . A A . 14 HIS CG 1 1
18 9380 1 1 15 HIS H H -4.381 -1.656 2.754 1.00 . A A . 14 HIS H 1 1
18 9381 1 1 15 HIS HA H -3.665 -4.044 4.292 1.00 . A A . 14 HIS HA 1 1
18 9382 1 1 15 HIS HB2 H -3.768 -1.125 5.076 1.00 . A A . 14 HIS HB2 1 1
18 9383 1 1 15 HIS HB3 H -3.285 -2.450 6.144 1.00 . A A . 14 HIS HB3 1 1
18 9384 1 1 15 HIS HD1 H -1.093 -3.975 5.121 1.00 . A A . 14 HIS HD1 1 1
18 9385 1 1 15 HIS HD2 H -1.907 -0.175 3.574 1.00 . A A . 14 HIS HD2 1 1
18 9386 1 1 15 HIS HE1 H 0.996 -3.260 3.837 1.00 . A A . 14 HIS HE1 1 1
18 9387 1 1 15 HIS N N -4.407 -2.648 2.956 1.00 . A A . 14 HIS N 1 1
18 9388 1 1 15 HIS ND1 N -0.996 -3.100 4.626 1.00 . A A . 14 HIS ND1 1 1
18 9389 1 1 15 HIS NE2 N -0.117 -1.481 3.409 1.00 . A A . 14 HIS NE2 1 1
18 9390 1 1 15 HIS O O -5.612 -4.360 5.778 1.00 . A A . 14 HIS O 1 1
18 9391 1 1 16 GLN C C -8.600 -3.972 5.065 1.00 . A A . 15 GLN C 1 1
18 9392 1 1 16 GLN CA C -7.839 -2.727 5.493 1.00 . A A . 15 GLN CA 1 1
18 9393 1 1 16 GLN CB C -8.729 -1.508 5.248 1.00 . A A . 15 GLN CB 1 1
18 9394 1 1 16 GLN CD C -7.785 -0.427 7.307 1.00 . A A . 15 GLN CD 1 1
18 9395 1 1 16 GLN CG C -8.172 -0.217 5.851 1.00 . A A . 15 GLN CG 1 1
18 9396 1 1 16 GLN H H -6.462 -1.787 4.181 1.00 . A A . 15 GLN H 1 1
18 9397 1 1 16 GLN HA H -7.634 -2.828 6.557 1.00 . A A . 15 GLN HA 1 1
18 9398 1 1 16 GLN HB2 H -8.886 -1.381 4.177 1.00 . A A . 15 GLN HB2 1 1
18 9399 1 1 16 GLN HB3 H -9.686 -1.715 5.716 1.00 . A A . 15 GLN HB3 1 1
18 9400 1 1 16 GLN HE21 H -9.688 -0.152 7.963 1.00 . A A . 15 GLN HE21 1 1
18 9401 1 1 16 GLN HE22 H -8.504 -0.508 9.202 1.00 . A A . 15 GLN HE22 1 1
18 9402 1 1 16 GLN HG2 H -7.295 0.094 5.282 1.00 . A A . 15 GLN HG2 1 1
18 9403 1 1 16 GLN HG3 H -8.923 0.570 5.786 1.00 . A A . 15 GLN HG3 1 1
18 9404 1 1 16 GLN N N -6.567 -2.571 4.803 1.00 . A A . 15 GLN N 1 1
18 9405 1 1 16 GLN NE2 N -8.740 -0.374 8.229 1.00 . A A . 15 GLN NE2 1 1
18 9406 1 1 16 GLN O O -9.271 -4.587 5.886 1.00 . A A . 15 GLN O 1 1
18 9407 1 1 16 GLN OE1 O -6.630 -0.705 7.591 1.00 . A A . 15 GLN OE1 1 1
18 9408 1 1 17 LYS C C -8.281 -6.712 3.157 1.00 . A A . 16 LYS C 1 1
18 9409 1 1 17 LYS CA C -9.205 -5.493 3.250 1.00 . A A . 16 LYS CA 1 1
18 9410 1 1 17 LYS CB C -9.877 -5.089 1.929 1.00 . A A . 16 LYS CB 1 1
18 9411 1 1 17 LYS CD C -11.882 -4.112 3.206 1.00 . A A . 16 LYS CD 1 1
18 9412 1 1 17 LYS CE C -12.938 -3.018 3.144 1.00 . A A . 16 LYS CE 1 1
18 9413 1 1 17 LYS CG C -10.841 -3.899 2.100 1.00 . A A . 16 LYS CG 1 1
18 9414 1 1 17 LYS H H -7.963 -3.775 3.156 1.00 . A A . 16 LYS H 1 1
18 9415 1 1 17 LYS HA H -9.995 -5.782 3.937 1.00 . A A . 16 LYS HA 1 1
18 9416 1 1 17 LYS HB2 H -9.118 -4.832 1.190 1.00 . A A . 16 LYS HB2 1 1
18 9417 1 1 17 LYS HB3 H -10.450 -5.933 1.550 1.00 . A A . 16 LYS HB3 1 1
18 9418 1 1 17 LYS HD2 H -12.360 -5.082 3.079 1.00 . A A . 16 LYS HD2 1 1
18 9419 1 1 17 LYS HD3 H -11.405 -4.075 4.185 1.00 . A A . 16 LYS HD3 1 1
18 9420 1 1 17 LYS HE2 H -12.448 -2.045 3.196 1.00 . A A . 16 LYS HE2 1 1
18 9421 1 1 17 LYS HE3 H -13.475 -3.099 2.202 1.00 . A A . 16 LYS HE3 1 1
18 9422 1 1 17 LYS HG2 H -10.278 -2.994 2.325 1.00 . A A . 16 LYS HG2 1 1
18 9423 1 1 17 LYS HG3 H -11.354 -3.747 1.155 1.00 . A A . 16 LYS HG3 1 1
18 9424 1 1 17 LYS HZ1 H -14.553 -2.376 4.221 1.00 . A A . 16 LYS HZ1 1 1
18 9425 1 1 17 LYS HZ2 H -14.389 -4.016 4.186 1.00 . A A . 16 LYS HZ2 1 1
18 9426 1 1 17 LYS HZ3 H -13.395 -3.106 5.131 1.00 . A A . 16 LYS HZ3 1 1
18 9427 1 1 17 LYS N N -8.507 -4.340 3.791 1.00 . A A . 16 LYS N 1 1
18 9428 1 1 17 LYS NZ N -13.892 -3.138 4.253 1.00 . A A . 16 LYS NZ 1 1
18 9429 1 1 17 LYS O O -8.696 -7.748 2.654 1.00 . A A . 16 LYS O 1 1
18 9430 1 1 18 NH2 HN1 H -6.428 -7.422 3.601 1.00 . A A . 17 NH2 HN1 1 1
18 9431 1 1 18 NH2 HN2 H -6.730 -5.767 4.084 1.00 . A A . 17 NH2 HN2 1 1
18 9432 1 1 18 NH2 N N -7.048 -6.628 3.663 1.00 . A A . 17 NH2 N 1 1
18 9433 2 1 1 ACE C C 9.264 3.239 -7.053 1.00 . B B . 0 ACE C 1 1
18 9434 2 1 1 ACE CH3 C 8.029 2.707 -6.358 1.00 . B B . 0 ACE CH3 1 1
18 9435 2 1 1 ACE H1 H 8.265 1.748 -5.905 1.00 . B B . 0 ACE H1 1 1
18 9436 2 1 1 ACE H2 H 7.681 3.398 -5.592 1.00 . B B . 0 ACE H2 1 1
18 9437 2 1 1 ACE H3 H 7.250 2.572 -7.103 1.00 . B B . 0 ACE H3 1 1
18 9438 2 1 1 ACE O O 9.629 2.718 -8.103 1.00 . B B . 0 ACE O 1 1
18 9439 2 1 2 ASP C C 12.257 3.952 -7.041 1.00 . B B . 1 ASP C 1 1
18 9440 2 1 2 ASP CA C 11.076 4.909 -7.030 1.00 . B B . 1 ASP CA 1 1
18 9441 2 1 2 ASP CB C 11.440 6.150 -6.211 1.00 . B B . 1 ASP CB 1 1
18 9442 2 1 2 ASP CG C 10.256 7.097 -6.176 1.00 . B B . 1 ASP CG 1 1
18 9443 2 1 2 ASP H H 9.529 4.640 -5.607 1.00 . B B . 1 ASP H 1 1
18 9444 2 1 2 ASP HA H 10.853 5.214 -8.052 1.00 . B B . 1 ASP HA 1 1
18 9445 2 1 2 ASP HB2 H 11.759 5.859 -5.226 1.00 . B B . 1 ASP HB2 1 1
18 9446 2 1 2 ASP HB3 H 12.265 6.675 -6.703 1.00 . B B . 1 ASP HB3 1 1
18 9447 2 1 2 ASP N N 9.891 4.268 -6.472 1.00 . B B . 1 ASP N 1 1
18 9448 2 1 2 ASP O O 12.384 3.115 -6.151 1.00 . B B . 1 ASP O 1 1
18 9449 2 1 2 ASP OD1 O 9.903 7.608 -7.165 1.00 . B B . 1 ASP OD1 1 1
18 9450 2 1 2 ASP OD2 O 9.688 7.221 -4.991 1.00 . B B . 1 ASP OD2 1 1
18 9451 2 1 3 ALA C C 15.147 3.065 -7.117 1.00 . B B . 2 ALA C 1 1
18 9452 2 1 3 ALA CA C 14.221 3.200 -8.320 1.00 . B B . 2 ALA CA 1 1
18 9453 2 1 3 ALA CB C 14.970 3.691 -9.559 1.00 . B B . 2 ALA CB 1 1
18 9454 2 1 3 ALA H H 12.955 4.842 -8.722 1.00 . B B . 2 ALA H 1 1
18 9455 2 1 3 ALA HA H 13.805 2.219 -8.529 1.00 . B B . 2 ALA HA 1 1
18 9456 2 1 3 ALA HB1 H 15.768 2.990 -9.800 1.00 . B B . 2 ALA HB1 1 1
18 9457 2 1 3 ALA HB2 H 14.282 3.756 -10.403 1.00 . B B . 2 ALA HB2 1 1
18 9458 2 1 3 ALA HB3 H 15.399 4.675 -9.377 1.00 . B B . 2 ALA HB3 1 1
18 9459 2 1 3 ALA N N 13.122 4.109 -8.047 1.00 . B B . 2 ALA N 1 1
18 9460 2 1 3 ALA O O 15.460 1.946 -6.735 1.00 . B B . 2 ALA O 1 1
18 9461 2 1 4 GLU C C 15.797 3.488 -4.080 1.00 . B B . 3 GLU C 1 1
18 9462 2 1 4 GLU CA C 16.319 4.286 -5.283 1.00 . B B . 3 GLU CA 1 1
18 9463 2 1 4 GLU CB C 16.464 5.773 -4.935 1.00 . B B . 3 GLU CB 1 1
18 9464 2 1 4 GLU CD C 15.206 7.923 -4.564 1.00 . B B . 3 GLU CD 1 1
18 9465 2 1 4 GLU CG C 15.130 6.406 -4.523 1.00 . B B . 3 GLU CG 1 1
18 9466 2 1 4 GLU H H 15.131 5.061 -6.840 1.00 . B B . 3 GLU H 1 1
18 9467 2 1 4 GLU HA H 17.305 3.898 -5.526 1.00 . B B . 3 GLU HA 1 1
18 9468 2 1 4 GLU HB2 H 17.175 5.891 -4.119 1.00 . B B . 3 GLU HB2 1 1
18 9469 2 1 4 GLU HB3 H 16.857 6.297 -5.805 1.00 . B B . 3 GLU HB3 1 1
18 9470 2 1 4 GLU HG2 H 14.330 6.078 -5.186 1.00 . B B . 3 GLU HG2 1 1
18 9471 2 1 4 GLU HG3 H 14.895 6.087 -3.509 1.00 . B B . 3 GLU HG3 1 1
18 9472 2 1 4 GLU N N 15.490 4.189 -6.479 1.00 . B B . 3 GLU N 1 1
18 9473 2 1 4 GLU O O 16.571 3.217 -3.172 1.00 . B B . 3 GLU O 1 1
18 9474 2 1 4 GLU OE1 O 15.609 8.514 -3.557 1.00 . B B . 3 GLU OE1 1 1
18 9475 2 1 4 GLU OE2 O 14.860 8.484 -5.632 1.00 . B B . 3 GLU OE2 1 1
18 9476 2 1 5 PHE C C 13.494 0.874 -3.550 1.00 . B B . 4 PHE C 1 1
18 9477 2 1 5 PHE CA C 13.930 2.244 -3.035 1.00 . B B . 4 PHE CA 1 1
18 9478 2 1 5 PHE CB C 12.724 2.957 -2.449 1.00 . B B . 4 PHE CB 1 1
18 9479 2 1 5 PHE CD1 C 13.909 4.326 -0.678 1.00 . B B . 4 PHE CD1 1 1
18 9480 2 1 5 PHE CD2 C 12.519 5.452 -2.323 1.00 . B B . 4 PHE CD2 1 1
18 9481 2 1 5 PHE CE1 C 14.197 5.563 -0.079 1.00 . B B . 4 PHE CE1 1 1
18 9482 2 1 5 PHE CE2 C 12.850 6.690 -1.760 1.00 . B B . 4 PHE CE2 1 1
18 9483 2 1 5 PHE CG C 13.049 4.272 -1.789 1.00 . B B . 4 PHE CG 1 1
18 9484 2 1 5 PHE CZ C 13.665 6.746 -0.619 1.00 . B B . 4 PHE CZ 1 1
18 9485 2 1 5 PHE H H 13.910 3.424 -4.800 1.00 . B B . 4 PHE H 1 1
18 9486 2 1 5 PHE HA H 14.652 2.072 -2.239 1.00 . B B . 4 PHE HA 1 1
18 9487 2 1 5 PHE HB2 H 12.025 3.128 -3.263 1.00 . B B . 4 PHE HB2 1 1
18 9488 2 1 5 PHE HB3 H 12.243 2.311 -1.718 1.00 . B B . 4 PHE HB3 1 1
18 9489 2 1 5 PHE HD1 H 14.351 3.417 -0.291 1.00 . B B . 4 PHE HD1 1 1
18 9490 2 1 5 PHE HD2 H 11.881 5.403 -3.187 1.00 . B B . 4 PHE HD2 1 1
18 9491 2 1 5 PHE HE1 H 14.852 5.606 0.776 1.00 . B B . 4 PHE HE1 1 1
18 9492 2 1 5 PHE HE2 H 12.479 7.593 -2.209 1.00 . B B . 4 PHE HE2 1 1
18 9493 2 1 5 PHE HZ H 13.891 7.699 -0.172 1.00 . B B . 4 PHE HZ 1 1
18 9494 2 1 5 PHE N N 14.518 3.098 -4.064 1.00 . B B . 4 PHE N 1 1
18 9495 2 1 5 PHE O O 13.269 -0.006 -2.725 1.00 . B B . 4 PHE O 1 1
18 9496 2 1 6 ARG C C 14.628 -1.343 -5.528 1.00 . B B . 5 ARG C 1 1
18 9497 2 1 6 ARG CA C 13.259 -0.645 -5.495 1.00 . B B . 5 ARG CA 1 1
18 9498 2 1 6 ARG CB C 12.643 -0.498 -6.899 1.00 . B B . 5 ARG CB 1 1
18 9499 2 1 6 ARG CD C 10.183 -0.846 -6.133 1.00 . B B . 5 ARG CD 1 1
18 9500 2 1 6 ARG CG C 11.184 -0.013 -6.940 1.00 . B B . 5 ARG CG 1 1
18 9501 2 1 6 ARG CZ C 9.144 -3.081 -6.569 1.00 . B B . 5 ARG CZ 1 1
18 9502 2 1 6 ARG H H 13.581 1.444 -5.495 1.00 . B B . 5 ARG H 1 1
18 9503 2 1 6 ARG HA H 12.590 -1.251 -4.884 1.00 . B B . 5 ARG HA 1 1
18 9504 2 1 6 ARG HB2 H 13.256 0.199 -7.469 1.00 . B B . 5 ARG HB2 1 1
18 9505 2 1 6 ARG HB3 H 12.683 -1.465 -7.397 1.00 . B B . 5 ARG HB3 1 1
18 9506 2 1 6 ARG HD2 H 10.439 -0.774 -5.081 1.00 . B B . 5 ARG HD2 1 1
18 9507 2 1 6 ARG HD3 H 9.187 -0.430 -6.268 1.00 . B B . 5 ARG HD3 1 1
18 9508 2 1 6 ARG HE H 11.118 -2.708 -6.449 1.00 . B B . 5 ARG HE 1 1
18 9509 2 1 6 ARG HG2 H 11.138 1.004 -6.564 1.00 . B B . 5 ARG HG2 1 1
18 9510 2 1 6 ARG HG3 H 10.866 0.005 -7.981 1.00 . B B . 5 ARG HG3 1 1
18 9511 2 1 6 ARG HH11 H 7.721 -1.631 -6.681 1.00 . B B . 5 ARG HH11 1 1
18 9512 2 1 6 ARG HH12 H 7.123 -3.272 -6.734 1.00 . B B . 5 ARG HH12 1 1
18 9513 2 1 6 ARG HH21 H 10.266 -4.776 -6.491 1.00 . B B . 5 ARG HH21 1 1
18 9514 2 1 6 ARG HH22 H 8.539 -5.017 -6.620 1.00 . B B . 5 ARG HH22 1 1
18 9515 2 1 6 ARG N N 13.412 0.666 -4.872 1.00 . B B . 5 ARG N 1 1
18 9516 2 1 6 ARG NE N 10.207 -2.272 -6.469 1.00 . B B . 5 ARG NE 1 1
18 9517 2 1 6 ARG NH1 N 7.897 -2.625 -6.673 1.00 . B B . 5 ARG NH1 1 1
18 9518 2 1 6 ARG NH2 N 9.332 -4.397 -6.552 1.00 . B B . 5 ARG NH2 1 1
18 9519 2 1 6 ARG O O 15.134 -1.707 -6.587 1.00 . B B . 5 ARG O 1 1
18 9520 2 1 7 ARG C C 16.738 -3.443 -3.964 1.00 . B B . 6 ARG C 1 1
18 9521 2 1 7 ARG CA C 16.621 -1.939 -4.169 1.00 . B B . 6 ARG CA 1 1
18 9522 2 1 7 ARG CB C 17.215 -1.228 -2.943 1.00 . B B . 6 ARG CB 1 1
18 9523 2 1 7 ARG CD C 18.341 0.710 -4.175 1.00 . B B . 6 ARG CD 1 1
18 9524 2 1 7 ARG CG C 17.309 0.288 -3.117 1.00 . B B . 6 ARG CG 1 1
18 9525 2 1 7 ARG CZ C 18.288 0.287 -6.664 1.00 . B B . 6 ARG CZ 1 1
18 9526 2 1 7 ARG H H 14.796 -1.107 -3.532 1.00 . B B . 6 ARG H 1 1
18 9527 2 1 7 ARG HA H 17.198 -1.685 -5.050 1.00 . B B . 6 ARG HA 1 1
18 9528 2 1 7 ARG HB2 H 16.587 -1.439 -2.076 1.00 . B B . 6 ARG HB2 1 1
18 9529 2 1 7 ARG HB3 H 18.214 -1.616 -2.738 1.00 . B B . 6 ARG HB3 1 1
18 9530 2 1 7 ARG HD2 H 18.693 1.712 -3.936 1.00 . B B . 6 ARG HD2 1 1
18 9531 2 1 7 ARG HD3 H 19.193 0.033 -4.139 1.00 . B B . 6 ARG HD3 1 1
18 9532 2 1 7 ARG HE H 16.848 1.188 -5.586 1.00 . B B . 6 ARG HE 1 1
18 9533 2 1 7 ARG HG2 H 16.321 0.676 -3.363 1.00 . B B . 6 ARG HG2 1 1
18 9534 2 1 7 ARG HG3 H 17.593 0.720 -2.159 1.00 . B B . 6 ARG HG3 1 1
18 9535 2 1 7 ARG HH11 H 20.052 -0.373 -5.883 1.00 . B B . 6 ARG HH11 1 1
18 9536 2 1 7 ARG HH12 H 19.848 -0.617 -7.603 1.00 . B B . 6 ARG HH12 1 1
18 9537 2 1 7 ARG HH21 H 16.679 0.829 -7.785 1.00 . B B . 6 ARG HH21 1 1
18 9538 2 1 7 ARG HH22 H 17.972 0.042 -8.660 1.00 . B B . 6 ARG HH22 1 1
18 9539 2 1 7 ARG N N 15.252 -1.478 -4.351 1.00 . B B . 6 ARG N 1 1
18 9540 2 1 7 ARG NE N 17.757 0.752 -5.521 1.00 . B B . 6 ARG NE 1 1
18 9541 2 1 7 ARG NH1 N 19.493 -0.278 -6.719 1.00 . B B . 6 ARG NH1 1 1
18 9542 2 1 7 ARG NH2 N 17.588 0.390 -7.793 1.00 . B B . 6 ARG NH2 1 1
18 9543 2 1 7 ARG O O 17.857 -3.946 -3.963 1.00 . B B . 6 ARG O 1 1
18 9544 2 1 8 ASP C C 14.214 -6.082 -3.187 1.00 . B B . 7 ASP C 1 1
18 9545 2 1 8 ASP CA C 15.617 -5.481 -3.153 1.00 . B B . 7 ASP CA 1 1
18 9546 2 1 8 ASP CB C 16.122 -5.362 -1.710 1.00 . B B . 7 ASP CB 1 1
18 9547 2 1 8 ASP CG C 16.291 -6.687 -0.992 1.00 . B B . 7 ASP CG 1 1
18 9548 2 1 8 ASP H H 14.731 -3.676 -3.790 1.00 . B B . 7 ASP H 1 1
18 9549 2 1 8 ASP HA H 16.293 -6.121 -3.723 1.00 . B B . 7 ASP HA 1 1
18 9550 2 1 8 ASP HB2 H 17.092 -4.882 -1.715 1.00 . B B . 7 ASP HB2 1 1
18 9551 2 1 8 ASP HB3 H 15.424 -4.742 -1.144 1.00 . B B . 7 ASP HB3 1 1
18 9552 2 1 8 ASP N N 15.622 -4.149 -3.742 1.00 . B B . 7 ASP N 1 1
18 9553 2 1 8 ASP O O 13.238 -5.359 -3.369 1.00 . B B . 7 ASP O 1 1
18 9554 2 1 8 ASP OD1 O 16.837 -7.628 -1.619 1.00 . B B . 7 ASP OD1 1 1
18 9555 2 1 8 ASP OD2 O 15.894 -6.758 0.169 1.00 . B B . 7 ASP OD2 1 1
18 9556 2 1 9 SER C C 11.902 -7.474 -1.927 1.00 . B B . 8 SER C 1 1
18 9557 2 1 9 SER CA C 12.825 -8.089 -2.974 1.00 . B B . 8 SER CA 1 1
18 9558 2 1 9 SER CB C 12.982 -9.577 -2.666 1.00 . B B . 8 SER CB 1 1
18 9559 2 1 9 SER H H 14.932 -7.945 -2.799 1.00 . B B . 8 SER H 1 1
18 9560 2 1 9 SER HA H 12.400 -7.977 -3.966 1.00 . B B . 8 SER HA 1 1
18 9561 2 1 9 SER HB2 H 13.449 -9.691 -1.693 1.00 . B B . 8 SER HB2 1 1
18 9562 2 1 9 SER HB3 H 11.993 -10.032 -2.642 1.00 . B B . 8 SER HB3 1 1
18 9563 2 1 9 SER HG H 13.502 -11.170 -3.630 1.00 . B B . 8 SER HG 1 1
18 9564 2 1 9 SER N N 14.104 -7.399 -2.975 1.00 . B B . 8 SER N 1 1
18 9565 2 1 9 SER O O 12.307 -7.311 -0.779 1.00 . B B . 8 SER O 1 1
18 9566 2 1 9 SER OG O 13.759 -10.242 -3.627 1.00 . B B . 8 SER OG 1 1
18 9567 2 1 10 GLY C C 8.326 -6.694 -2.262 1.00 . B B . 9 GLY C 1 1
18 9568 2 1 10 GLY CA C 9.642 -6.577 -1.490 1.00 . B B . 9 GLY CA 1 1
18 9569 2 1 10 GLY H H 10.406 -7.280 -3.293 1.00 . B B . 9 GLY H 1 1
18 9570 2 1 10 GLY HA2 H 9.585 -7.103 -0.539 1.00 . B B . 9 GLY HA2 1 1
18 9571 2 1 10 GLY HA3 H 9.907 -5.540 -1.285 1.00 . B B . 9 GLY HA3 1 1
18 9572 2 1 10 GLY N N 10.673 -7.145 -2.327 1.00 . B B . 9 GLY N 1 1
18 9573 2 1 10 GLY O O 7.974 -7.776 -2.721 1.00 . B B . 9 GLY O 1 1
18 9574 2 1 11 TYR C C 6.381 -3.583 -1.928 1.00 . B B . 10 TYR C 1 1
18 9575 2 1 11 TYR CA C 7.727 -4.296 -1.912 1.00 . B B . 10 TYR CA 1 1
18 9576 2 1 11 TYR CB C 8.743 -3.503 -2.753 1.00 . B B . 10 TYR CB 1 1
18 9577 2 1 11 TYR CD1 C 9.711 -2.252 -0.761 1.00 . B B . 10 TYR CD1 1 1
18 9578 2 1 11 TYR CD2 C 11.206 -3.092 -2.481 1.00 . B B . 10 TYR CD2 1 1
18 9579 2 1 11 TYR CE1 C 10.806 -1.752 -0.043 1.00 . B B . 10 TYR CE1 1 1
18 9580 2 1 11 TYR CE2 C 12.308 -2.601 -1.770 1.00 . B B . 10 TYR CE2 1 1
18 9581 2 1 11 TYR CG C 9.909 -2.939 -1.973 1.00 . B B . 10 TYR CG 1 1
18 9582 2 1 11 TYR CZ C 12.113 -1.925 -0.546 1.00 . B B . 10 TYR CZ 1 1
18 9583 2 1 11 TYR H H 6.816 -5.716 -3.121 1.00 . B B . 10 TYR H 1 1
18 9584 2 1 11 TYR HA H 8.068 -4.375 -0.880 1.00 . B B . 10 TYR HA 1 1
18 9585 2 1 11 TYR HB2 H 9.137 -4.136 -3.546 1.00 . B B . 10 TYR HB2 1 1
18 9586 2 1 11 TYR HB3 H 8.237 -2.684 -3.256 1.00 . B B . 10 TYR HB3 1 1
18 9587 2 1 11 TYR HD1 H 8.721 -2.090 -0.382 1.00 . B B . 10 TYR HD1 1 1
18 9588 2 1 11 TYR HD2 H 11.352 -3.595 -3.420 1.00 . B B . 10 TYR HD2 1 1
18 9589 2 1 11 TYR HE1 H 10.642 -1.247 0.892 1.00 . B B . 10 TYR HE1 1 1
18 9590 2 1 11 TYR HE2 H 13.302 -2.743 -2.160 1.00 . B B . 10 TYR HE2 1 1
18 9591 2 1 11 TYR HH H 12.935 -1.029 0.976 1.00 . B B . 10 TYR HH 1 1
18 9592 2 1 11 TYR N N 7.565 -5.624 -2.462 1.00 . B B . 10 TYR N 1 1
18 9593 2 1 11 TYR O O 5.483 -3.924 -2.694 1.00 . B B . 10 TYR O 1 1
18 9594 2 1 11 TYR OH O 13.183 -1.458 0.153 1.00 . B B . 10 TYR OH 1 1
18 9595 2 1 12 GLU C C 5.978 -0.171 -0.946 1.00 . B B . 11 GLU C 1 1
18 9596 2 1 12 GLU CA C 5.298 -1.487 -1.319 1.00 . B B . 11 GLU CA 1 1
18 9597 2 1 12 GLU CB C 4.061 -1.806 -0.479 1.00 . B B . 11 GLU CB 1 1
18 9598 2 1 12 GLU CD C 1.914 -0.620 0.171 1.00 . B B . 11 GLU CD 1 1
18 9599 2 1 12 GLU CG C 2.891 -0.940 -0.945 1.00 . B B . 11 GLU CG 1 1
18 9600 2 1 12 GLU H H 7.012 -2.339 -0.463 1.00 . B B . 11 GLU H 1 1
18 9601 2 1 12 GLU HA H 5.016 -1.458 -2.372 1.00 . B B . 11 GLU HA 1 1
18 9602 2 1 12 GLU HB2 H 3.793 -2.852 -0.611 1.00 . B B . 11 GLU HB2 1 1
18 9603 2 1 12 GLU HB3 H 4.290 -1.639 0.574 1.00 . B B . 11 GLU HB3 1 1
18 9604 2 1 12 GLU HG2 H 3.274 0.009 -1.326 1.00 . B B . 11 GLU HG2 1 1
18 9605 2 1 12 GLU HG3 H 2.366 -1.450 -1.752 1.00 . B B . 11 GLU HG3 1 1
18 9606 2 1 12 GLU N N 6.285 -2.520 -1.136 1.00 . B B . 11 GLU N 1 1
18 9607 2 1 12 GLU O O 5.721 0.388 0.119 1.00 . B B . 11 GLU O 1 1
18 9608 2 1 12 GLU OE1 O 1.521 -1.545 0.916 1.00 . B B . 11 GLU OE1 1 1
18 9609 2 1 12 GLU OE2 O 1.572 0.564 0.290 1.00 . B B . 11 GLU OE2 1 1
18 9610 2 1 13 VAL C C 7.301 2.636 -1.118 1.00 . B B . 12 VAL C 1 1
18 9611 2 1 13 VAL CA C 7.888 1.316 -1.613 1.00 . B B . 12 VAL CA 1 1
18 9612 2 1 13 VAL CB C 8.740 1.499 -2.891 1.00 . B B . 12 VAL CB 1 1
18 9613 2 1 13 VAL CG1 C 9.328 2.901 -3.088 1.00 . B B . 12 VAL CG1 1 1
18 9614 2 1 13 VAL CG2 C 9.920 0.524 -2.858 1.00 . B B . 12 VAL CG2 1 1
18 9615 2 1 13 VAL H H 7.016 -0.274 -2.667 1.00 . B B . 12 VAL H 1 1
18 9616 2 1 13 VAL HA H 8.554 0.959 -0.839 1.00 . B B . 12 VAL HA 1 1
18 9617 2 1 13 VAL HB H 8.122 1.282 -3.759 1.00 . B B . 12 VAL HB 1 1
18 9618 2 1 13 VAL HG11 H 9.946 3.159 -2.229 1.00 . B B . 12 VAL HG11 1 1
18 9619 2 1 13 VAL HG12 H 9.931 2.916 -3.992 1.00 . B B . 12 VAL HG12 1 1
18 9620 2 1 13 VAL HG13 H 8.529 3.629 -3.200 1.00 . B B . 12 VAL HG13 1 1
18 9621 2 1 13 VAL HG21 H 10.607 0.754 -3.669 1.00 . B B . 12 VAL HG21 1 1
18 9622 2 1 13 VAL HG22 H 10.459 0.615 -1.914 1.00 . B B . 12 VAL HG22 1 1
18 9623 2 1 13 VAL HG23 H 9.543 -0.487 -2.975 1.00 . B B . 12 VAL HG23 1 1
18 9624 2 1 13 VAL N N 6.900 0.262 -1.820 1.00 . B B . 12 VAL N 1 1
18 9625 2 1 13 VAL O O 8.040 3.421 -0.535 1.00 . B B . 12 VAL O 1 1
18 9626 2 1 14 HIS C C 5.507 4.132 0.824 1.00 . B B . 13 HIS C 1 1
18 9627 2 1 14 HIS CA C 5.383 4.066 -0.713 1.00 . B B . 13 HIS CA 1 1
18 9628 2 1 14 HIS CB C 3.926 4.156 -1.175 1.00 . B B . 13 HIS CB 1 1
18 9629 2 1 14 HIS CD2 C 3.394 3.720 -3.655 1.00 . B B . 13 HIS CD2 1 1
18 9630 2 1 14 HIS CE1 C 3.758 5.712 -4.479 1.00 . B B . 13 HIS CE1 1 1
18 9631 2 1 14 HIS CG C 3.790 4.531 -2.627 1.00 . B B . 13 HIS CG 1 1
18 9632 2 1 14 HIS H H 5.413 2.215 -1.761 1.00 . B B . 13 HIS H 1 1
18 9633 2 1 14 HIS HA H 5.936 4.914 -1.116 1.00 . B B . 13 HIS HA 1 1
18 9634 2 1 14 HIS HB2 H 3.432 3.199 -1.001 1.00 . B B . 13 HIS HB2 1 1
18 9635 2 1 14 HIS HB3 H 3.414 4.919 -0.588 1.00 . B B . 13 HIS HB3 1 1
18 9636 2 1 14 HIS HD1 H 4.329 6.595 -2.660 1.00 . B B . 13 HIS HD1 1 1
18 9637 2 1 14 HIS HD2 H 3.132 2.677 -3.572 1.00 . B B . 13 HIS HD2 1 1
18 9638 2 1 14 HIS HE1 H 3.840 6.547 -5.159 1.00 . B B . 13 HIS HE1 1 1
18 9639 2 1 14 HIS N N 5.999 2.884 -1.283 1.00 . B B . 13 HIS N 1 1
18 9640 2 1 14 HIS ND1 N 4.020 5.775 -3.164 1.00 . B B . 13 HIS ND1 1 1
18 9641 2 1 14 HIS NE2 N 3.368 4.477 -4.830 1.00 . B B . 13 HIS NE2 1 1
18 9642 2 1 14 HIS O O 5.416 5.228 1.362 1.00 . B B . 13 HIS O 1 1
18 9643 2 1 15 HIS C C 7.585 3.172 3.254 1.00 . B B . 14 HIS C 1 1
18 9644 2 1 15 HIS CA C 6.083 3.054 2.974 1.00 . B B . 14 HIS CA 1 1
18 9645 2 1 15 HIS CB C 5.554 1.787 3.642 1.00 . B B . 14 HIS CB 1 1
18 9646 2 1 15 HIS CD2 C 3.310 0.822 2.906 1.00 . B B . 14 HIS CD2 1 1
18 9647 2 1 15 HIS CE1 C 1.948 2.104 4.032 1.00 . B B . 14 HIS CE1 1 1
18 9648 2 1 15 HIS CG C 4.060 1.700 3.632 1.00 . B B . 14 HIS CG 1 1
18 9649 2 1 15 HIS H H 5.835 2.138 1.062 1.00 . B B . 14 HIS H 1 1
18 9650 2 1 15 HIS HA H 5.591 3.909 3.437 1.00 . B B . 14 HIS HA 1 1
18 9651 2 1 15 HIS HB2 H 5.965 0.910 3.144 1.00 . B B . 14 HIS HB2 1 1
18 9652 2 1 15 HIS HB3 H 5.882 1.773 4.680 1.00 . B B . 14 HIS HB3 1 1
18 9653 2 1 15 HIS HD1 H 3.442 3.248 4.964 1.00 . B B . 14 HIS HD1 1 1
18 9654 2 1 15 HIS HD2 H 3.703 0.064 2.248 1.00 . B B . 14 HIS HD2 1 1
18 9655 2 1 15 HIS HE1 H 1.054 2.559 4.427 1.00 . B B . 14 HIS HE1 1 1
18 9656 2 1 15 HIS N N 5.769 3.027 1.540 1.00 . B B . 14 HIS N 1 1
18 9657 2 1 15 HIS ND1 N 3.192 2.487 4.346 1.00 . B B . 14 HIS ND1 1 1
18 9658 2 1 15 HIS NE2 N 1.963 1.089 3.158 1.00 . B B . 14 HIS NE2 1 1
18 9659 2 1 15 HIS O O 7.967 3.737 4.273 1.00 . B B . 14 HIS O 1 1
18 9660 2 1 16 GLN C C 10.345 4.196 2.254 1.00 . B B . 15 GLN C 1 1
18 9661 2 1 16 GLN CA C 9.882 2.753 2.466 1.00 . B B . 15 GLN CA 1 1
18 9662 2 1 16 GLN CB C 10.461 1.793 1.424 1.00 . B B . 15 GLN CB 1 1
18 9663 2 1 16 GLN CD C 12.858 1.599 2.249 1.00 . B B . 15 GLN CD 1 1
18 9664 2 1 16 GLN CG C 11.940 1.932 1.085 1.00 . B B . 15 GLN CG 1 1
18 9665 2 1 16 GLN H H 8.082 2.176 1.557 1.00 . B B . 15 GLN H 1 1
18 9666 2 1 16 GLN HA H 10.192 2.414 3.448 1.00 . B B . 15 GLN HA 1 1
18 9667 2 1 16 GLN HB2 H 10.287 0.782 1.775 1.00 . B B . 15 GLN HB2 1 1
18 9668 2 1 16 GLN HB3 H 9.916 1.929 0.499 1.00 . B B . 15 GLN HB3 1 1
18 9669 2 1 16 GLN HE21 H 12.923 3.532 2.873 1.00 . B B . 15 GLN HE21 1 1
18 9670 2 1 16 GLN HE22 H 13.885 2.400 3.803 1.00 . B B . 15 GLN HE22 1 1
18 9671 2 1 16 GLN HG2 H 12.158 1.241 0.271 1.00 . B B . 15 GLN HG2 1 1
18 9672 2 1 16 GLN HG3 H 12.128 2.942 0.732 1.00 . B B . 15 GLN HG3 1 1
18 9673 2 1 16 GLN N N 8.438 2.658 2.367 1.00 . B B . 15 GLN N 1 1
18 9674 2 1 16 GLN NE2 N 13.259 2.594 3.034 1.00 . B B . 15 GLN NE2 1 1
18 9675 2 1 16 GLN O O 11.199 4.664 2.992 1.00 . B B . 15 GLN O 1 1
18 9676 2 1 16 GLN OE1 O 13.217 0.445 2.438 1.00 . B B . 15 GLN OE1 1 1
18 9677 2 1 17 LYS C C 10.357 7.259 1.774 1.00 . B B . 16 LYS C 1 1
18 9678 2 1 17 LYS CA C 10.178 6.163 0.710 1.00 . B B . 16 LYS CA 1 1
18 9679 2 1 17 LYS CB C 9.130 6.556 -0.344 1.00 . B B . 16 LYS CB 1 1
18 9680 2 1 17 LYS CD C 8.273 8.286 -1.948 1.00 . B B . 16 LYS CD 1 1
18 9681 2 1 17 LYS CE C 8.482 9.684 -2.523 1.00 . B B . 16 LYS CE 1 1
18 9682 2 1 17 LYS CG C 9.440 7.874 -1.056 1.00 . B B . 16 LYS CG 1 1
18 9683 2 1 17 LYS H H 9.049 4.387 0.749 1.00 . B B . 16 LYS H 1 1
18 9684 2 1 17 LYS HA H 11.131 6.014 0.208 1.00 . B B . 16 LYS HA 1 1
18 9685 2 1 17 LYS HB2 H 9.073 5.771 -1.099 1.00 . B B . 16 LYS HB2 1 1
18 9686 2 1 17 LYS HB3 H 8.158 6.636 0.146 1.00 . B B . 16 LYS HB3 1 1
18 9687 2 1 17 LYS HD2 H 8.147 7.565 -2.754 1.00 . B B . 16 LYS HD2 1 1
18 9688 2 1 17 LYS HD3 H 7.370 8.303 -1.347 1.00 . B B . 16 LYS HD3 1 1
18 9689 2 1 17 LYS HE2 H 7.541 10.030 -2.951 1.00 . B B . 16 LYS HE2 1 1
18 9690 2 1 17 LYS HE3 H 8.775 10.366 -1.722 1.00 . B B . 16 LYS HE3 1 1
18 9691 2 1 17 LYS HG2 H 9.597 8.659 -0.321 1.00 . B B . 16 LYS HG2 1 1
18 9692 2 1 17 LYS HG3 H 10.337 7.762 -1.660 1.00 . B B . 16 LYS HG3 1 1
18 9693 2 1 17 LYS HZ1 H 9.584 10.620 -3.965 1.00 . B B . 16 LYS HZ1 1 1
18 9694 2 1 17 LYS HZ2 H 10.399 9.422 -3.183 1.00 . B B . 16 LYS HZ2 1 1
18 9695 2 1 17 LYS HZ3 H 9.252 9.043 -4.299 1.00 . B B . 16 LYS HZ3 1 1
18 9696 2 1 17 LYS N N 9.767 4.876 1.260 1.00 . B B . 16 LYS N 1 1
18 9697 2 1 17 LYS NZ N 9.506 9.693 -3.569 1.00 . B B . 16 LYS NZ 1 1
18 9698 2 1 17 LYS O O 9.546 7.413 2.681 1.00 . B B . 16 LYS O 1 1
18 9699 2 1 18 NH2 HN1 H 11.555 8.806 2.315 1.00 . B B . 17 NH2 HN1 1 1
18 9700 2 1 18 NH2 HN2 H 12.063 7.930 0.886 1.00 . B B . 17 NH2 HN2 1 1
18 9701 2 1 18 NH2 N N 11.410 8.066 1.643 1.00 . B B . 17 NH2 N 1 1
18 9702 3 2 1 ZN ZN ZN 0.629 -0.073 2.071 1.00 . C A . 101 ZN ZN 1 1
19 9703 1 1 1 ACE C C -14.071 -7.868 2.283 1.00 . A A . 0 ACE C 1 1
19 9704 1 1 1 ACE CH3 C -14.741 -9.209 2.555 1.00 . A A . 0 ACE CH3 1 1
19 9705 1 1 1 ACE H1 H -14.133 -10.013 2.139 1.00 . A A . 0 ACE H1 1 1
19 9706 1 1 1 ACE H2 H -14.852 -9.363 3.627 1.00 . A A . 0 ACE H2 1 1
19 9707 1 1 1 ACE H3 H -15.721 -9.228 2.082 1.00 . A A . 0 ACE H3 1 1
19 9708 1 1 1 ACE O O -13.751 -7.128 3.210 1.00 . A A . 0 ACE O 1 1
19 9709 1 1 2 ASP C C -14.214 -5.136 0.702 1.00 . A A . 1 ASP C 1 1
19 9710 1 1 2 ASP CA C -13.248 -6.307 0.566 1.00 . A A . 1 ASP CA 1 1
19 9711 1 1 2 ASP CB C -12.863 -6.391 -0.918 1.00 . A A . 1 ASP CB 1 1
19 9712 1 1 2 ASP CG C -11.523 -7.058 -1.192 1.00 . A A . 1 ASP CG 1 1
19 9713 1 1 2 ASP H H -14.154 -8.202 0.286 1.00 . A A . 1 ASP H 1 1
19 9714 1 1 2 ASP HA H -12.358 -6.100 1.160 1.00 . A A . 1 ASP HA 1 1
19 9715 1 1 2 ASP HB2 H -13.639 -6.919 -1.470 1.00 . A A . 1 ASP HB2 1 1
19 9716 1 1 2 ASP HB3 H -12.807 -5.371 -1.302 1.00 . A A . 1 ASP HB3 1 1
19 9717 1 1 2 ASP N N -13.857 -7.555 1.003 1.00 . A A . 1 ASP N 1 1
19 9718 1 1 2 ASP O O -13.752 -4.039 0.988 1.00 . A A . 1 ASP O 1 1
19 9719 1 1 2 ASP OD1 O -11.304 -8.189 -0.730 1.00 . A A . 1 ASP OD1 1 1
19 9720 1 1 2 ASP OD2 O -10.721 -6.429 -1.911 1.00 . A A . 1 ASP OD2 1 1
19 9721 1 1 3 ALA C C -16.628 -3.256 1.177 1.00 . A A . 2 ALA C 1 1
19 9722 1 1 3 ALA CA C -16.458 -4.300 0.082 1.00 . A A . 2 ALA CA 1 1
19 9723 1 1 3 ALA CB C -17.799 -4.941 -0.271 1.00 . A A . 2 ALA CB 1 1
19 9724 1 1 3 ALA H H -15.803 -6.304 0.248 1.00 . A A . 2 ALA H 1 1
19 9725 1 1 3 ALA HA H -16.087 -3.784 -0.801 1.00 . A A . 2 ALA HA 1 1
19 9726 1 1 3 ALA HB1 H -18.485 -4.171 -0.621 1.00 . A A . 2 ALA HB1 1 1
19 9727 1 1 3 ALA HB2 H -17.665 -5.684 -1.056 1.00 . A A . 2 ALA HB2 1 1
19 9728 1 1 3 ALA HB3 H -18.219 -5.418 0.611 1.00 . A A . 2 ALA HB3 1 1
19 9729 1 1 3 ALA N N -15.512 -5.355 0.436 1.00 . A A . 2 ALA N 1 1
19 9730 1 1 3 ALA O O -16.666 -2.069 0.879 1.00 . A A . 2 ALA O 1 1
19 9731 1 1 4 GLU C C -15.467 -1.871 3.701 1.00 . A A . 3 GLU C 1 1
19 9732 1 1 4 GLU CA C -16.660 -2.822 3.609 1.00 . A A . 3 GLU CA 1 1
19 9733 1 1 4 GLU CB C -16.735 -3.692 4.862 1.00 . A A . 3 GLU CB 1 1
19 9734 1 1 4 GLU CD C -15.775 -5.668 6.093 1.00 . A A . 3 GLU CD 1 1
19 9735 1 1 4 GLU CG C -15.604 -4.726 4.919 1.00 . A A . 3 GLU CG 1 1
19 9736 1 1 4 GLU H H -16.598 -4.682 2.603 1.00 . A A . 3 GLU H 1 1
19 9737 1 1 4 GLU HA H -17.556 -2.212 3.568 1.00 . A A . 3 GLU HA 1 1
19 9738 1 1 4 GLU HB2 H -16.675 -3.059 5.740 1.00 . A A . 3 GLU HB2 1 1
19 9739 1 1 4 GLU HB3 H -17.703 -4.188 4.881 1.00 . A A . 3 GLU HB3 1 1
19 9740 1 1 4 GLU HG2 H -15.588 -5.317 4.007 1.00 . A A . 3 GLU HG2 1 1
19 9741 1 1 4 GLU HG3 H -14.650 -4.211 5.008 1.00 . A A . 3 GLU HG3 1 1
19 9742 1 1 4 GLU N N -16.649 -3.687 2.437 1.00 . A A . 3 GLU N 1 1
19 9743 1 1 4 GLU O O -15.589 -0.862 4.383 1.00 . A A . 3 GLU O 1 1
19 9744 1 1 4 GLU OE1 O -16.757 -6.441 6.072 1.00 . A A . 3 GLU OE1 1 1
19 9745 1 1 4 GLU OE2 O -14.924 -5.639 6.994 1.00 . A A . 3 GLU OE2 1 1
19 9746 1 1 5 PHE C C -13.062 -0.533 1.662 1.00 . A A . 4 PHE C 1 1
19 9747 1 1 5 PHE CA C -13.155 -1.327 2.964 1.00 . A A . 4 PHE CA 1 1
19 9748 1 1 5 PHE CB C -11.903 -2.196 3.095 1.00 . A A . 4 PHE CB 1 1
19 9749 1 1 5 PHE CD1 C -12.346 -2.806 5.515 1.00 . A A . 4 PHE CD1 1 1
19 9750 1 1 5 PHE CD2 C -11.504 -4.514 3.997 1.00 . A A . 4 PHE CD2 1 1
19 9751 1 1 5 PHE CE1 C -12.334 -3.736 6.567 1.00 . A A . 4 PHE CE1 1 1
19 9752 1 1 5 PHE CE2 C -11.496 -5.444 5.047 1.00 . A A . 4 PHE CE2 1 1
19 9753 1 1 5 PHE CG C -11.919 -3.193 4.232 1.00 . A A . 4 PHE CG 1 1
19 9754 1 1 5 PHE CZ C -11.903 -5.051 6.333 1.00 . A A . 4 PHE CZ 1 1
19 9755 1 1 5 PHE H H -14.305 -3.049 2.539 1.00 . A A . 4 PHE H 1 1
19 9756 1 1 5 PHE HA H -13.171 -0.614 3.784 1.00 . A A . 4 PHE HA 1 1
19 9757 1 1 5 PHE HB2 H -11.767 -2.739 2.161 1.00 . A A . 4 PHE HB2 1 1
19 9758 1 1 5 PHE HB3 H -11.041 -1.542 3.229 1.00 . A A . 4 PHE HB3 1 1
19 9759 1 1 5 PHE HD1 H -12.686 -1.794 5.686 1.00 . A A . 4 PHE HD1 1 1
19 9760 1 1 5 PHE HD2 H -11.201 -4.814 3.005 1.00 . A A . 4 PHE HD2 1 1
19 9761 1 1 5 PHE HE1 H -12.663 -3.446 7.552 1.00 . A A . 4 PHE HE1 1 1
19 9762 1 1 5 PHE HE2 H -11.186 -6.461 4.861 1.00 . A A . 4 PHE HE2 1 1
19 9763 1 1 5 PHE HZ H -11.903 -5.767 7.141 1.00 . A A . 4 PHE HZ 1 1
19 9764 1 1 5 PHE N N -14.345 -2.170 3.033 1.00 . A A . 4 PHE N 1 1
19 9765 1 1 5 PHE O O -12.326 0.447 1.622 1.00 . A A . 4 PHE O 1 1
19 9766 1 1 6 ARG C C -14.651 1.152 -0.528 1.00 . A A . 5 ARG C 1 1
19 9767 1 1 6 ARG CA C -13.897 -0.187 -0.653 1.00 . A A . 5 ARG CA 1 1
19 9768 1 1 6 ARG CB C -14.492 -1.117 -1.726 1.00 . A A . 5 ARG CB 1 1
19 9769 1 1 6 ARG CD C -12.142 -2.126 -2.174 1.00 . A A . 5 ARG CD 1 1
19 9770 1 1 6 ARG CG C -13.647 -2.371 -2.022 1.00 . A A . 5 ARG CG 1 1
19 9771 1 1 6 ARG CZ C -10.723 -0.955 -3.866 1.00 . A A . 5 ARG CZ 1 1
19 9772 1 1 6 ARG H H -14.401 -1.727 0.714 1.00 . A A . 5 ARG H 1 1
19 9773 1 1 6 ARG HA H -12.884 0.075 -0.959 1.00 . A A . 5 ARG HA 1 1
19 9774 1 1 6 ARG HB2 H -15.484 -1.433 -1.410 1.00 . A A . 5 ARG HB2 1 1
19 9775 1 1 6 ARG HB3 H -14.603 -0.564 -2.655 1.00 . A A . 5 ARG HB3 1 1
19 9776 1 1 6 ARG HD2 H -11.735 -1.758 -1.233 1.00 . A A . 5 ARG HD2 1 1
19 9777 1 1 6 ARG HD3 H -11.651 -3.068 -2.419 1.00 . A A . 5 ARG HD3 1 1
19 9778 1 1 6 ARG HE H -12.662 -0.559 -3.488 1.00 . A A . 5 ARG HE 1 1
19 9779 1 1 6 ARG HG2 H -13.791 -3.088 -1.226 1.00 . A A . 5 ARG HG2 1 1
19 9780 1 1 6 ARG HG3 H -14.017 -2.830 -2.935 1.00 . A A . 5 ARG HG3 1 1
19 9781 1 1 6 ARG HH11 H -9.658 -2.341 -2.826 1.00 . A A . 5 ARG HH11 1 1
19 9782 1 1 6 ARG HH12 H -8.787 -1.522 -4.098 1.00 . A A . 5 ARG HH12 1 1
19 9783 1 1 6 ARG HH21 H -11.488 0.437 -5.132 1.00 . A A . 5 ARG HH21 1 1
19 9784 1 1 6 ARG HH22 H -9.810 0.027 -5.393 1.00 . A A . 5 ARG HH22 1 1
19 9785 1 1 6 ARG N N -13.818 -0.908 0.619 1.00 . A A . 5 ARG N 1 1
19 9786 1 1 6 ARG NE N -11.880 -1.139 -3.222 1.00 . A A . 5 ARG NE 1 1
19 9787 1 1 6 ARG NH1 N -9.628 -1.641 -3.552 1.00 . A A . 5 ARG NH1 1 1
19 9788 1 1 6 ARG NH2 N -10.659 -0.072 -4.857 1.00 . A A . 5 ARG NH2 1 1
19 9789 1 1 6 ARG O O -15.146 1.682 -1.520 1.00 . A A . 5 ARG O 1 1
19 9790 1 1 7 ARG C C -14.317 4.095 0.550 1.00 . A A . 6 ARG C 1 1
19 9791 1 1 7 ARG CA C -15.270 3.005 1.018 1.00 . A A . 6 ARG CA 1 1
19 9792 1 1 7 ARG CB C -15.480 3.135 2.535 1.00 . A A . 6 ARG CB 1 1
19 9793 1 1 7 ARG CD C -17.624 1.697 2.533 1.00 . A A . 6 ARG CD 1 1
19 9794 1 1 7 ARG CG C -16.258 1.975 3.157 1.00 . A A . 6 ARG CG 1 1
19 9795 1 1 7 ARG CZ C -18.025 0.931 0.187 1.00 . A A . 6 ARG CZ 1 1
19 9796 1 1 7 ARG H H -14.300 1.205 1.457 1.00 . A A . 6 ARG H 1 1
19 9797 1 1 7 ARG HA H -16.228 3.114 0.525 1.00 . A A . 6 ARG HA 1 1
19 9798 1 1 7 ARG HB2 H -14.504 3.170 3.023 1.00 . A A . 6 ARG HB2 1 1
19 9799 1 1 7 ARG HB3 H -16.005 4.067 2.745 1.00 . A A . 6 ARG HB3 1 1
19 9800 1 1 7 ARG HD2 H -18.259 1.226 3.275 1.00 . A A . 6 ARG HD2 1 1
19 9801 1 1 7 ARG HD3 H -18.078 2.637 2.233 1.00 . A A . 6 ARG HD3 1 1
19 9802 1 1 7 ARG HE H -17.134 -0.156 1.636 1.00 . A A . 6 ARG HE 1 1
19 9803 1 1 7 ARG HG2 H -15.640 1.091 3.060 1.00 . A A . 6 ARG HG2 1 1
19 9804 1 1 7 ARG HG3 H -16.404 2.184 4.214 1.00 . A A . 6 ARG HG3 1 1
19 9805 1 1 7 ARG HH11 H -18.687 2.833 0.469 1.00 . A A . 6 ARG HH11 1 1
19 9806 1 1 7 ARG HH12 H -18.956 2.171 -1.125 1.00 . A A . 6 ARG HH12 1 1
19 9807 1 1 7 ARG HH21 H -17.539 -0.944 -0.422 1.00 . A A . 6 ARG HH21 1 1
19 9808 1 1 7 ARG HH22 H -18.317 0.056 -1.623 1.00 . A A . 6 ARG HH22 1 1
19 9809 1 1 7 ARG N N -14.728 1.700 0.691 1.00 . A A . 6 ARG N 1 1
19 9810 1 1 7 ARG NE N -17.540 0.747 1.421 1.00 . A A . 6 ARG NE 1 1
19 9811 1 1 7 ARG NH1 N -18.588 2.076 -0.190 1.00 . A A . 6 ARG NH1 1 1
19 9812 1 1 7 ARG NH2 N -17.945 -0.060 -0.693 1.00 . A A . 6 ARG NH2 1 1
19 9813 1 1 7 ARG O O -13.127 3.854 0.387 1.00 . A A . 6 ARG O 1 1
19 9814 1 1 8 ASP C C -13.264 6.988 1.347 1.00 . A A . 7 ASP C 1 1
19 9815 1 1 8 ASP CA C -14.091 6.526 0.142 1.00 . A A . 7 ASP CA 1 1
19 9816 1 1 8 ASP CB C -15.091 7.619 -0.261 1.00 . A A . 7 ASP CB 1 1
19 9817 1 1 8 ASP CG C -16.043 8.066 0.852 1.00 . A A . 7 ASP CG 1 1
19 9818 1 1 8 ASP H H -15.835 5.419 0.564 1.00 . A A . 7 ASP H 1 1
19 9819 1 1 8 ASP HA H -13.415 6.346 -0.693 1.00 . A A . 7 ASP HA 1 1
19 9820 1 1 8 ASP HB2 H -14.526 8.485 -0.594 1.00 . A A . 7 ASP HB2 1 1
19 9821 1 1 8 ASP HB3 H -15.684 7.256 -1.095 1.00 . A A . 7 ASP HB3 1 1
19 9822 1 1 8 ASP N N -14.845 5.306 0.399 1.00 . A A . 7 ASP N 1 1
19 9823 1 1 8 ASP O O -12.284 7.699 1.170 1.00 . A A . 7 ASP O 1 1
19 9824 1 1 8 ASP OD1 O -16.506 7.213 1.632 1.00 . A A . 7 ASP OD1 1 1
19 9825 1 1 8 ASP OD2 O -16.323 9.281 0.902 1.00 . A A . 7 ASP OD2 1 1
19 9826 1 1 9 SER C C -11.785 6.484 4.199 1.00 . A A . 8 SER C 1 1
19 9827 1 1 9 SER CA C -13.137 7.115 3.821 1.00 . A A . 8 SER CA 1 1
19 9828 1 1 9 SER CB C -14.197 6.914 4.912 1.00 . A A . 8 SER CB 1 1
19 9829 1 1 9 SER H H -14.536 6.103 2.614 1.00 . A A . 8 SER H 1 1
19 9830 1 1 9 SER HA H -12.984 8.186 3.710 1.00 . A A . 8 SER HA 1 1
19 9831 1 1 9 SER HB2 H -14.423 5.853 5.011 1.00 . A A . 8 SER HB2 1 1
19 9832 1 1 9 SER HB3 H -13.815 7.292 5.859 1.00 . A A . 8 SER HB3 1 1
19 9833 1 1 9 SER HG H -16.075 7.335 5.194 1.00 . A A . 8 SER HG 1 1
19 9834 1 1 9 SER N N -13.667 6.609 2.563 1.00 . A A . 8 SER N 1 1
19 9835 1 1 9 SER O O -11.661 5.835 5.231 1.00 . A A . 8 SER O 1 1
19 9836 1 1 9 SER OG O -15.379 7.615 4.591 1.00 . A A . 8 SER OG 1 1
19 9837 1 1 10 GLY C C -8.516 6.913 2.584 1.00 . A A . 9 GLY C 1 1
19 9838 1 1 10 GLY CA C -9.375 6.355 3.718 1.00 . A A . 9 GLY CA 1 1
19 9839 1 1 10 GLY H H -10.873 7.148 2.499 1.00 . A A . 9 GLY H 1 1
19 9840 1 1 10 GLY HA2 H -9.101 6.819 4.665 1.00 . A A . 9 GLY HA2 1 1
19 9841 1 1 10 GLY HA3 H -9.274 5.281 3.846 1.00 . A A . 9 GLY HA3 1 1
19 9842 1 1 10 GLY N N -10.746 6.676 3.384 1.00 . A A . 9 GLY N 1 1
19 9843 1 1 10 GLY O O -8.620 8.099 2.292 1.00 . A A . 9 GLY O 1 1
19 9844 1 1 11 TYR C C -6.297 4.200 1.301 1.00 . A A . 10 TYR C 1 1
19 9845 1 1 11 TYR CA C -7.510 4.697 2.068 1.00 . A A . 10 TYR CA 1 1
19 9846 1 1 11 TYR CB C -8.733 3.935 1.548 1.00 . A A . 10 TYR CB 1 1
19 9847 1 1 11 TYR CD1 C -8.588 2.179 3.370 1.00 . A A . 10 TYR CD1 1 1
19 9848 1 1 11 TYR CD2 C -10.758 3.104 2.762 1.00 . A A . 10 TYR CD2 1 1
19 9849 1 1 11 TYR CE1 C -9.191 1.395 4.359 1.00 . A A . 10 TYR CE1 1 1
19 9850 1 1 11 TYR CE2 C -11.370 2.314 3.740 1.00 . A A . 10 TYR CE2 1 1
19 9851 1 1 11 TYR CG C -9.370 3.035 2.573 1.00 . A A . 10 TYR CG 1 1
19 9852 1 1 11 TYR CZ C -10.589 1.451 4.539 1.00 . A A . 10 TYR CZ 1 1
19 9853 1 1 11 TYR H H -7.273 6.496 1.068 1.00 . A A . 10 TYR H 1 1
19 9854 1 1 11 TYR HA H -7.371 4.498 3.127 1.00 . A A . 10 TYR HA 1 1
19 9855 1 1 11 TYR HB2 H -9.480 4.647 1.210 1.00 . A A . 10 TYR HB2 1 1
19 9856 1 1 11 TYR HB3 H -8.460 3.344 0.676 1.00 . A A . 10 TYR HB3 1 1
19 9857 1 1 11 TYR HD1 H -7.522 2.130 3.248 1.00 . A A . 10 TYR HD1 1 1
19 9858 1 1 11 TYR HD2 H -11.347 3.787 2.170 1.00 . A A . 10 TYR HD2 1 1
19 9859 1 1 11 TYR HE1 H -8.581 0.777 4.996 1.00 . A A . 10 TYR HE1 1 1
19 9860 1 1 11 TYR HE2 H -12.434 2.388 3.890 1.00 . A A . 10 TYR HE2 1 1
19 9861 1 1 11 TYR HH H -12.125 0.845 5.565 1.00 . A A . 10 TYR HH 1 1
19 9862 1 1 11 TYR N N -7.697 6.118 1.894 1.00 . A A . 10 TYR N 1 1
19 9863 1 1 11 TYR O O -6.029 4.660 0.193 1.00 . A A . 10 TYR O 1 1
19 9864 1 1 11 TYR OH O -11.174 0.712 5.517 1.00 . A A . 10 TYR OH 1 1
19 9865 1 1 12 GLU C C -5.450 0.765 1.599 1.00 . A A . 11 GLU C 1 1
19 9866 1 1 12 GLU CA C -4.984 2.141 1.092 1.00 . A A . 11 GLU CA 1 1
19 9867 1 1 12 GLU CB C -3.482 2.351 1.243 1.00 . A A . 11 GLU CB 1 1
19 9868 1 1 12 GLU CD C -1.277 1.396 0.529 1.00 . A A . 11 GLU CD 1 1
19 9869 1 1 12 GLU CG C -2.736 1.577 0.157 1.00 . A A . 11 GLU CG 1 1
19 9870 1 1 12 GLU H H -5.911 2.907 2.803 1.00 . A A . 11 GLU H 1 1
19 9871 1 1 12 GLU HA H -5.250 2.256 0.041 1.00 . A A . 11 GLU HA 1 1
19 9872 1 1 12 GLU HB2 H -3.247 3.409 1.145 1.00 . A A . 11 GLU HB2 1 1
19 9873 1 1 12 GLU HB3 H -3.168 2.027 2.234 1.00 . A A . 11 GLU HB3 1 1
19 9874 1 1 12 GLU HG2 H -3.186 0.593 0.038 1.00 . A A . 11 GLU HG2 1 1
19 9875 1 1 12 GLU HG3 H -2.807 2.117 -0.785 1.00 . A A . 11 GLU HG3 1 1
19 9876 1 1 12 GLU N N -5.681 3.154 1.853 1.00 . A A . 11 GLU N 1 1
19 9877 1 1 12 GLU O O -4.874 0.186 2.521 1.00 . A A . 11 GLU O 1 1
19 9878 1 1 12 GLU OE1 O -0.674 2.345 1.055 1.00 . A A . 11 GLU OE1 1 1
19 9879 1 1 12 GLU OE2 O -0.775 0.274 0.308 1.00 . A A . 11 GLU OE2 1 1
19 9880 1 1 13 VAL C C -6.452 -2.197 1.465 1.00 . A A . 12 VAL C 1 1
19 9881 1 1 13 VAL CA C -7.294 -0.920 1.393 1.00 . A A . 12 VAL CA 1 1
19 9882 1 1 13 VAL CB C -8.499 -1.082 0.438 1.00 . A A . 12 VAL CB 1 1
19 9883 1 1 13 VAL CG1 C -9.256 -2.406 0.634 1.00 . A A . 12 VAL CG1 1 1
19 9884 1 1 13 VAL CG2 C -9.487 0.064 0.686 1.00 . A A . 12 VAL CG2 1 1
19 9885 1 1 13 VAL H H -6.916 0.785 0.226 1.00 . A A . 12 VAL H 1 1
19 9886 1 1 13 VAL HA H -7.687 -0.727 2.386 1.00 . A A . 12 VAL HA 1 1
19 9887 1 1 13 VAL HB H -8.154 -1.036 -0.595 1.00 . A A . 12 VAL HB 1 1
19 9888 1 1 13 VAL HG11 H -8.657 -3.236 0.270 1.00 . A A . 12 VAL HG11 1 1
19 9889 1 1 13 VAL HG12 H -9.470 -2.557 1.690 1.00 . A A . 12 VAL HG12 1 1
19 9890 1 1 13 VAL HG13 H -10.187 -2.400 0.073 1.00 . A A . 12 VAL HG13 1 1
19 9891 1 1 13 VAL HG21 H -10.332 -0.038 0.006 1.00 . A A . 12 VAL HG21 1 1
19 9892 1 1 13 VAL HG22 H -9.822 0.031 1.721 1.00 . A A . 12 VAL HG22 1 1
19 9893 1 1 13 VAL HG23 H -9.012 1.022 0.493 1.00 . A A . 12 VAL HG23 1 1
19 9894 1 1 13 VAL N N -6.530 0.261 0.994 1.00 . A A . 12 VAL N 1 1
19 9895 1 1 13 VAL O O -6.847 -3.133 2.158 1.00 . A A . 12 VAL O 1 1
19 9896 1 1 14 HIS C C -3.993 -3.765 2.222 1.00 . A A . 13 HIS C 1 1
19 9897 1 1 14 HIS CA C -4.450 -3.429 0.801 1.00 . A A . 13 HIS CA 1 1
19 9898 1 1 14 HIS CB C -3.245 -3.217 -0.122 1.00 . A A . 13 HIS CB 1 1
19 9899 1 1 14 HIS CD2 C -2.364 -5.141 -1.585 1.00 . A A . 13 HIS CD2 1 1
19 9900 1 1 14 HIS CE1 C -1.415 -6.384 -0.050 1.00 . A A . 13 HIS CE1 1 1
19 9901 1 1 14 HIS CG C -2.483 -4.490 -0.388 1.00 . A A . 13 HIS CG 1 1
19 9902 1 1 14 HIS H H -5.009 -1.459 0.232 1.00 . A A . 13 HIS H 1 1
19 9903 1 1 14 HIS HA H -5.066 -4.244 0.425 1.00 . A A . 13 HIS HA 1 1
19 9904 1 1 14 HIS HB2 H -3.592 -2.824 -1.073 1.00 . A A . 13 HIS HB2 1 1
19 9905 1 1 14 HIS HB3 H -2.571 -2.481 0.320 1.00 . A A . 13 HIS HB3 1 1
19 9906 1 1 14 HIS HD1 H -1.799 -5.073 1.539 1.00 . A A . 13 HIS HD1 1 1
19 9907 1 1 14 HIS HD2 H -2.760 -4.805 -2.531 1.00 . A A . 13 HIS HD2 1 1
19 9908 1 1 14 HIS HE1 H -0.898 -7.192 0.449 1.00 . A A . 13 HIS HE1 1 1
19 9909 1 1 14 HIS N N -5.292 -2.247 0.798 1.00 . A A . 13 HIS N 1 1
19 9910 1 1 14 HIS ND1 N -1.862 -5.275 0.551 1.00 . A A . 13 HIS ND1 1 1
19 9911 1 1 14 HIS NE2 N -1.707 -6.353 -1.357 1.00 . A A . 13 HIS NE2 1 1
19 9912 1 1 14 HIS O O -3.986 -4.935 2.600 1.00 . A A . 13 HIS O 1 1
19 9913 1 1 15 HIS C C -4.490 -3.236 5.290 1.00 . A A . 14 HIS C 1 1
19 9914 1 1 15 HIS CA C -3.294 -2.911 4.412 1.00 . A A . 14 HIS CA 1 1
19 9915 1 1 15 HIS CB C -2.614 -1.645 4.927 1.00 . A A . 14 HIS CB 1 1
19 9916 1 1 15 HIS CD2 C -1.006 -0.219 3.550 1.00 . A A . 14 HIS CD2 1 1
19 9917 1 1 15 HIS CE1 C 0.591 -1.677 3.195 1.00 . A A . 14 HIS CE1 1 1
19 9918 1 1 15 HIS CG C -1.337 -1.371 4.195 1.00 . A A . 14 HIS CG 1 1
19 9919 1 1 15 HIS H H -3.755 -1.793 2.661 1.00 . A A . 14 HIS H 1 1
19 9920 1 1 15 HIS HA H -2.593 -3.742 4.486 1.00 . A A . 14 HIS HA 1 1
19 9921 1 1 15 HIS HB2 H -3.289 -0.793 4.822 1.00 . A A . 14 HIS HB2 1 1
19 9922 1 1 15 HIS HB3 H -2.383 -1.769 5.983 1.00 . A A . 14 HIS HB3 1 1
19 9923 1 1 15 HIS HD1 H -0.312 -3.237 4.270 1.00 . A A . 14 HIS HD1 1 1
19 9924 1 1 15 HIS HD2 H -1.615 0.666 3.485 1.00 . A A . 14 HIS HD2 1 1
19 9925 1 1 15 HIS HE1 H 1.490 -2.145 2.827 1.00 . A A . 14 HIS HE1 1 1
19 9926 1 1 15 HIS N N -3.670 -2.736 3.017 1.00 . A A . 14 HIS N 1 1
19 9927 1 1 15 HIS ND1 N -0.328 -2.273 3.963 1.00 . A A . 14 HIS ND1 1 1
19 9928 1 1 15 HIS NE2 N 0.231 -0.414 2.940 1.00 . A A . 14 HIS NE2 1 1
19 9929 1 1 15 HIS O O -4.299 -3.872 6.317 1.00 . A A . 14 HIS O 1 1
19 9930 1 1 16 GLN C C -7.256 -4.561 5.661 1.00 . A A . 15 GLN C 1 1
19 9931 1 1 16 GLN CA C -6.899 -3.079 5.673 1.00 . A A . 15 GLN CA 1 1
19 9932 1 1 16 GLN CB C -8.018 -2.207 5.100 1.00 . A A . 15 GLN CB 1 1
19 9933 1 1 16 GLN CD C -8.860 -1.135 7.284 1.00 . A A . 15 GLN CD 1 1
19 9934 1 1 16 GLN CG C -9.184 -2.000 6.065 1.00 . A A . 15 GLN CG 1 1
19 9935 1 1 16 GLN H H -5.820 -2.306 4.053 1.00 . A A . 15 GLN H 1 1
19 9936 1 1 16 GLN HA H -6.699 -2.785 6.694 1.00 . A A . 15 GLN HA 1 1
19 9937 1 1 16 GLN HB2 H -7.613 -1.235 4.822 1.00 . A A . 15 GLN HB2 1 1
19 9938 1 1 16 GLN HB3 H -8.403 -2.681 4.203 1.00 . A A . 15 GLN HB3 1 1
19 9939 1 1 16 GLN HE21 H -10.821 -0.920 7.761 1.00 . A A . 15 GLN HE21 1 1
19 9940 1 1 16 GLN HE22 H -9.686 -0.119 8.824 1.00 . A A . 15 GLN HE22 1 1
19 9941 1 1 16 GLN HG2 H -9.970 -1.511 5.503 1.00 . A A . 15 GLN HG2 1 1
19 9942 1 1 16 GLN HG3 H -9.555 -2.968 6.386 1.00 . A A . 15 GLN HG3 1 1
19 9943 1 1 16 GLN N N -5.702 -2.826 4.908 1.00 . A A . 15 GLN N 1 1
19 9944 1 1 16 GLN NE2 N -9.871 -0.697 8.018 1.00 . A A . 15 GLN NE2 1 1
19 9945 1 1 16 GLN O O -7.563 -5.107 6.712 1.00 . A A . 15 GLN O 1 1
19 9946 1 1 16 GLN OE1 O -7.711 -0.842 7.580 1.00 . A A . 15 GLN OE1 1 1
19 9947 1 1 17 LYS C C -6.656 -7.582 5.041 1.00 . A A . 16 LYS C 1 1
19 9948 1 1 17 LYS CA C -7.537 -6.601 4.265 1.00 . A A . 16 LYS CA 1 1
19 9949 1 1 17 LYS CB C -7.417 -6.892 2.767 1.00 . A A . 16 LYS CB 1 1
19 9950 1 1 17 LYS CD C -8.154 -6.183 0.455 1.00 . A A . 16 LYS CD 1 1
19 9951 1 1 17 LYS CE C -8.157 -7.616 -0.074 1.00 . A A . 16 LYS CE 1 1
19 9952 1 1 17 LYS CG C -8.480 -6.148 1.948 1.00 . A A . 16 LYS CG 1 1
19 9953 1 1 17 LYS H H -6.862 -4.680 3.688 1.00 . A A . 16 LYS H 1 1
19 9954 1 1 17 LYS HA H -8.573 -6.734 4.574 1.00 . A A . 16 LYS HA 1 1
19 9955 1 1 17 LYS HB2 H -6.419 -6.604 2.432 1.00 . A A . 16 LYS HB2 1 1
19 9956 1 1 17 LYS HB3 H -7.536 -7.963 2.605 1.00 . A A . 16 LYS HB3 1 1
19 9957 1 1 17 LYS HD2 H -8.906 -5.600 -0.075 1.00 . A A . 16 LYS HD2 1 1
19 9958 1 1 17 LYS HD3 H -7.176 -5.733 0.286 1.00 . A A . 16 LYS HD3 1 1
19 9959 1 1 17 LYS HE2 H -7.321 -8.166 0.359 1.00 . A A . 16 LYS HE2 1 1
19 9960 1 1 17 LYS HE3 H -9.087 -8.100 0.221 1.00 . A A . 16 LYS HE3 1 1
19 9961 1 1 17 LYS HG2 H -9.456 -6.604 2.121 1.00 . A A . 16 LYS HG2 1 1
19 9962 1 1 17 LYS HG3 H -8.535 -5.106 2.258 1.00 . A A . 16 LYS HG3 1 1
19 9963 1 1 17 LYS HZ1 H -8.067 -8.594 -1.866 1.00 . A A . 16 LYS HZ1 1 1
19 9964 1 1 17 LYS HZ2 H -8.827 -7.138 -1.943 1.00 . A A . 16 LYS HZ2 1 1
19 9965 1 1 17 LYS HZ3 H -7.184 -7.207 -1.827 1.00 . A A . 16 LYS HZ3 1 1
19 9966 1 1 17 LYS N N -7.160 -5.209 4.496 1.00 . A A . 16 LYS N 1 1
19 9967 1 1 17 LYS NZ N -8.050 -7.639 -1.537 1.00 . A A . 16 LYS NZ 1 1
19 9968 1 1 17 LYS O O -5.468 -7.351 5.218 1.00 . A A . 16 LYS O 1 1
19 9969 1 1 18 NH2 HN1 H -6.659 -9.386 5.980 1.00 . A A . 17 NH2 HN1 1 1
19 9970 1 1 18 NH2 HN2 H -8.189 -8.897 5.286 1.00 . A A . 17 NH2 HN2 1 1
19 9971 1 1 18 NH2 N N -7.214 -8.713 5.472 1.00 . A A . 17 NH2 N 1 1
19 9972 2 1 1 ACE C C 19.335 3.915 -2.605 1.00 . B B . 0 ACE C 1 1
19 9973 2 1 1 ACE CH3 C 20.459 4.942 -2.584 1.00 . B B . 0 ACE CH3 1 1
19 9974 2 1 1 ACE H1 H 20.651 5.231 -1.553 1.00 . B B . 0 ACE H1 1 1
19 9975 2 1 1 ACE H2 H 21.361 4.509 -3.016 1.00 . B B . 0 ACE H2 1 1
19 9976 2 1 1 ACE H3 H 20.175 5.826 -3.152 1.00 . B B . 0 ACE H3 1 1
19 9977 2 1 1 ACE O O 19.601 2.725 -2.476 1.00 . B B . 0 ACE O 1 1
19 9978 2 1 2 ASP C C 16.707 2.429 -3.572 1.00 . B B . 1 ASP C 1 1
19 9979 2 1 2 ASP CA C 16.862 3.585 -2.588 1.00 . B B . 1 ASP CA 1 1
19 9980 2 1 2 ASP CB C 15.662 4.511 -2.724 1.00 . B B . 1 ASP CB 1 1
19 9981 2 1 2 ASP CG C 15.596 5.114 -4.117 1.00 . B B . 1 ASP CG 1 1
19 9982 2 1 2 ASP H H 17.959 5.372 -2.892 1.00 . B B . 1 ASP H 1 1
19 9983 2 1 2 ASP HA H 16.861 3.169 -1.582 1.00 . B B . 1 ASP HA 1 1
19 9984 2 1 2 ASP HB2 H 14.744 3.954 -2.538 1.00 . B B . 1 ASP HB2 1 1
19 9985 2 1 2 ASP HB3 H 15.763 5.287 -1.980 1.00 . B B . 1 ASP HB3 1 1
19 9986 2 1 2 ASP N N 18.086 4.378 -2.756 1.00 . B B . 1 ASP N 1 1
19 9987 2 1 2 ASP O O 15.771 1.648 -3.443 1.00 . B B . 1 ASP O 1 1
19 9988 2 1 2 ASP OD1 O 15.245 4.367 -5.045 1.00 . B B . 1 ASP OD1 1 1
19 9989 2 1 2 ASP OD2 O 15.943 6.308 -4.250 1.00 . B B . 1 ASP OD2 1 1
19 9990 2 1 3 ALA C C 17.972 -0.089 -4.450 1.00 . B B . 2 ALA C 1 1
19 9991 2 1 3 ALA CA C 17.957 1.172 -5.316 1.00 . B B . 2 ALA CA 1 1
19 9992 2 1 3 ALA CB C 19.349 1.419 -5.892 1.00 . B B . 2 ALA CB 1 1
19 9993 2 1 3 ALA H H 18.266 3.124 -4.590 1.00 . B B . 2 ALA H 1 1
19 9994 2 1 3 ALA HA H 17.240 1.049 -6.127 1.00 . B B . 2 ALA HA 1 1
19 9995 2 1 3 ALA HB1 H 19.319 2.252 -6.593 1.00 . B B . 2 ALA HB1 1 1
19 9996 2 1 3 ALA HB2 H 20.039 1.660 -5.085 1.00 . B B . 2 ALA HB2 1 1
19 9997 2 1 3 ALA HB3 H 19.693 0.521 -6.393 1.00 . B B . 2 ALA HB3 1 1
19 9998 2 1 3 ALA N N 17.622 2.348 -4.538 1.00 . B B . 2 ALA N 1 1
19 9999 2 1 3 ALA O O 17.417 -1.103 -4.850 1.00 . B B . 2 ALA O 1 1
19 10000 2 1 4 GLU C C 17.159 -1.520 -1.814 1.00 . B B . 3 GLU C 1 1
19 10001 2 1 4 GLU CA C 18.554 -1.051 -2.236 1.00 . B B . 3 GLU CA 1 1
19 10002 2 1 4 GLU CB C 19.322 -0.543 -1.015 1.00 . B B . 3 GLU CB 1 1
19 10003 2 1 4 GLU CD C 19.349 1.273 0.731 1.00 . B B . 3 GLU CD 1 1
19 10004 2 1 4 GLU CG C 18.501 0.511 -0.258 1.00 . B B . 3 GLU CG 1 1
19 10005 2 1 4 GLU H H 18.960 0.882 -2.981 1.00 . B B . 3 GLU H 1 1
19 10006 2 1 4 GLU HA H 19.084 -1.906 -2.645 1.00 . B B . 3 GLU HA 1 1
19 10007 2 1 4 GLU HB2 H 19.531 -1.378 -0.347 1.00 . B B . 3 GLU HB2 1 1
19 10008 2 1 4 GLU HB3 H 20.269 -0.110 -1.339 1.00 . B B . 3 GLU HB3 1 1
19 10009 2 1 4 GLU HG2 H 18.058 1.208 -0.967 1.00 . B B . 3 GLU HG2 1 1
19 10010 2 1 4 GLU HG3 H 17.706 0.016 0.294 1.00 . B B . 3 GLU HG3 1 1
19 10011 2 1 4 GLU N N 18.542 0.001 -3.243 1.00 . B B . 3 GLU N 1 1
19 10012 2 1 4 GLU O O 17.042 -2.629 -1.323 1.00 . B B . 3 GLU O 1 1
19 10013 2 1 4 GLU OE1 O 20.164 0.655 1.408 1.00 . B B . 3 GLU OE1 1 1
19 10014 2 1 4 GLU OE2 O 19.181 2.522 0.778 1.00 . B B . 3 GLU OE2 1 1
19 10015 2 1 5 PHE C C 13.960 -1.404 -2.989 1.00 . B B . 4 PHE C 1 1
19 10016 2 1 5 PHE CA C 14.731 -1.101 -1.715 1.00 . B B . 4 PHE CA 1 1
19 10017 2 1 5 PHE CB C 14.016 0.006 -0.949 1.00 . B B . 4 PHE CB 1 1
19 10018 2 1 5 PHE CD1 C 15.121 -0.388 1.289 1.00 . B B . 4 PHE CD1 1 1
19 10019 2 1 5 PHE CD2 C 15.183 1.842 0.313 1.00 . B B . 4 PHE CD2 1 1
19 10020 2 1 5 PHE CE1 C 15.813 0.088 2.414 1.00 . B B . 4 PHE CE1 1 1
19 10021 2 1 5 PHE CE2 C 15.881 2.312 1.433 1.00 . B B . 4 PHE CE2 1 1
19 10022 2 1 5 PHE CG C 14.786 0.498 0.250 1.00 . B B . 4 PHE CG 1 1
19 10023 2 1 5 PHE CZ C 16.174 1.443 2.496 1.00 . B B . 4 PHE CZ 1 1
19 10024 2 1 5 PHE H H 16.274 0.243 -2.281 1.00 . B B . 4 PHE H 1 1
19 10025 2 1 5 PHE HA H 14.721 -2.005 -1.110 1.00 . B B . 4 PHE HA 1 1
19 10026 2 1 5 PHE HB2 H 13.832 0.840 -1.629 1.00 . B B . 4 PHE HB2 1 1
19 10027 2 1 5 PHE HB3 H 13.049 -0.367 -0.611 1.00 . B B . 4 PHE HB3 1 1
19 10028 2 1 5 PHE HD1 H 14.856 -1.432 1.217 1.00 . B B . 4 PHE HD1 1 1
19 10029 2 1 5 PHE HD2 H 14.952 2.507 -0.504 1.00 . B B . 4 PHE HD2 1 1
19 10030 2 1 5 PHE HE1 H 16.066 -0.587 3.217 1.00 . B B . 4 PHE HE1 1 1
19 10031 2 1 5 PHE HE2 H 16.198 3.340 1.472 1.00 . B B . 4 PHE HE2 1 1
19 10032 2 1 5 PHE HZ H 16.691 1.811 3.367 1.00 . B B . 4 PHE HZ 1 1
19 10033 2 1 5 PHE N N 16.112 -0.708 -1.974 1.00 . B B . 4 PHE N 1 1
19 10034 2 1 5 PHE O O 12.898 -2.008 -2.898 1.00 . B B . 4 PHE O 1 1
19 10035 2 1 6 ARG C C 14.161 -2.849 -5.835 1.00 . B B . 5 ARG C 1 1
19 10036 2 1 6 ARG CA C 13.899 -1.382 -5.455 1.00 . B B . 5 ARG CA 1 1
19 10037 2 1 6 ARG CB C 14.354 -0.377 -6.524 1.00 . B B . 5 ARG CB 1 1
19 10038 2 1 6 ARG CD C 12.626 1.334 -5.572 1.00 . B B . 5 ARG CD 1 1
19 10039 2 1 6 ARG CG C 13.980 1.094 -6.255 1.00 . B B . 5 ARG CG 1 1
19 10040 2 1 6 ARG CZ C 10.245 1.102 -6.312 1.00 . B B . 5 ARG CZ 1 1
19 10041 2 1 6 ARG H H 15.365 -0.541 -4.179 1.00 . B B . 5 ARG H 1 1
19 10042 2 1 6 ARG HA H 12.821 -1.288 -5.357 1.00 . B B . 5 ARG HA 1 1
19 10043 2 1 6 ARG HB2 H 15.434 -0.452 -6.642 1.00 . B B . 5 ARG HB2 1 1
19 10044 2 1 6 ARG HB3 H 13.891 -0.659 -7.467 1.00 . B B . 5 ARG HB3 1 1
19 10045 2 1 6 ARG HD2 H 12.633 0.912 -4.566 1.00 . B B . 5 ARG HD2 1 1
19 10046 2 1 6 ARG HD3 H 12.466 2.405 -5.486 1.00 . B B . 5 ARG HD3 1 1
19 10047 2 1 6 ARG HE H 11.770 -0.069 -6.900 1.00 . B B . 5 ARG HE 1 1
19 10048 2 1 6 ARG HG2 H 14.753 1.548 -5.646 1.00 . B B . 5 ARG HG2 1 1
19 10049 2 1 6 ARG HG3 H 13.981 1.622 -7.206 1.00 . B B . 5 ARG HG3 1 1
19 10050 2 1 6 ARG HH11 H 10.488 2.735 -5.116 1.00 . B B . 5 ARG HH11 1 1
19 10051 2 1 6 ARG HH12 H 8.850 2.421 -5.645 1.00 . B B . 5 ARG HH12 1 1
19 10052 2 1 6 ARG HH21 H 9.672 -0.420 -7.529 1.00 . B B . 5 ARG HH21 1 1
19 10053 2 1 6 ARG HH22 H 8.385 0.638 -6.996 1.00 . B B . 5 ARG HH22 1 1
19 10054 2 1 6 ARG N N 14.486 -1.040 -4.167 1.00 . B B . 5 ARG N 1 1
19 10055 2 1 6 ARG NE N 11.528 0.730 -6.332 1.00 . B B . 5 ARG NE 1 1
19 10056 2 1 6 ARG NH1 N 9.828 2.172 -5.634 1.00 . B B . 5 ARG NH1 1 1
19 10057 2 1 6 ARG NH2 N 9.361 0.380 -6.998 1.00 . B B . 5 ARG NH2 1 1
19 10058 2 1 6 ARG O O 14.201 -3.195 -7.010 1.00 . B B . 5 ARG O 1 1
19 10059 2 1 7 ARG C C 13.134 -5.799 -5.283 1.00 . B B . 6 ARG C 1 1
19 10060 2 1 7 ARG CA C 14.474 -5.154 -4.953 1.00 . B B . 6 ARG CA 1 1
19 10061 2 1 7 ARG CB C 15.004 -5.731 -3.633 1.00 . B B . 6 ARG CB 1 1
19 10062 2 1 7 ARG CD C 17.488 -5.154 -4.075 1.00 . B B . 6 ARG CD 1 1
19 10063 2 1 7 ARG CG C 16.287 -5.063 -3.130 1.00 . B B . 6 ARG CG 1 1
19 10064 2 1 7 ARG CZ C 17.571 -4.047 -6.342 1.00 . B B . 6 ARG CZ 1 1
19 10065 2 1 7 ARG H H 14.322 -3.356 -3.889 1.00 . B B . 6 ARG H 1 1
19 10066 2 1 7 ARG HA H 15.185 -5.361 -5.744 1.00 . B B . 6 ARG HA 1 1
19 10067 2 1 7 ARG HB2 H 14.240 -5.592 -2.867 1.00 . B B . 6 ARG HB2 1 1
19 10068 2 1 7 ARG HB3 H 15.181 -6.800 -3.748 1.00 . B B . 6 ARG HB3 1 1
19 10069 2 1 7 ARG HD2 H 18.399 -5.159 -3.478 1.00 . B B . 6 ARG HD2 1 1
19 10070 2 1 7 ARG HD3 H 17.431 -6.091 -4.616 1.00 . B B . 6 ARG HD3 1 1
19 10071 2 1 7 ARG HE H 17.586 -3.097 -4.560 1.00 . B B . 6 ARG HE 1 1
19 10072 2 1 7 ARG HG2 H 16.059 -4.021 -2.948 1.00 . B B . 6 ARG HG2 1 1
19 10073 2 1 7 ARG HG3 H 16.560 -5.523 -2.182 1.00 . B B . 6 ARG HG3 1 1
19 10074 2 1 7 ARG HH11 H 17.510 -6.070 -6.531 1.00 . B B . 6 ARG HH11 1 1
19 10075 2 1 7 ARG HH12 H 17.537 -5.174 -8.033 1.00 . B B . 6 ARG HH12 1 1
19 10076 2 1 7 ARG HH21 H 17.661 -2.028 -6.556 1.00 . B B . 6 ARG HH21 1 1
19 10077 2 1 7 ARG HH22 H 17.619 -2.936 -8.050 1.00 . B B . 6 ARG HH22 1 1
19 10078 2 1 7 ARG N N 14.333 -3.716 -4.831 1.00 . B B . 6 ARG N 1 1
19 10079 2 1 7 ARG NE N 17.558 -4.009 -4.998 1.00 . B B . 6 ARG NE 1 1
19 10080 2 1 7 ARG NH1 N 17.553 -5.191 -7.023 1.00 . B B . 6 ARG NH1 1 1
19 10081 2 1 7 ARG NH2 N 17.598 -2.911 -7.040 1.00 . B B . 6 ARG NH2 1 1
19 10082 2 1 7 ARG O O 12.080 -5.278 -4.929 1.00 . B B . 6 ARG O 1 1
19 10083 2 1 8 ASP C C 11.343 -8.319 -4.840 1.00 . B B . 7 ASP C 1 1
19 10084 2 1 8 ASP CA C 11.989 -7.796 -6.142 1.00 . B B . 7 ASP CA 1 1
19 10085 2 1 8 ASP CB C 12.424 -8.944 -7.054 1.00 . B B . 7 ASP CB 1 1
19 10086 2 1 8 ASP CG C 11.227 -9.630 -7.685 1.00 . B B . 7 ASP CG 1 1
19 10087 2 1 8 ASP H H 14.069 -7.378 -6.143 1.00 . B B . 7 ASP H 1 1
19 10088 2 1 8 ASP HA H 11.258 -7.188 -6.675 1.00 . B B . 7 ASP HA 1 1
19 10089 2 1 8 ASP HB2 H 13.064 -8.558 -7.847 1.00 . B B . 7 ASP HB2 1 1
19 10090 2 1 8 ASP HB3 H 12.997 -9.673 -6.487 1.00 . B B . 7 ASP HB3 1 1
19 10091 2 1 8 ASP N N 13.173 -6.981 -5.894 1.00 . B B . 7 ASP N 1 1
19 10092 2 1 8 ASP O O 10.214 -8.801 -4.862 1.00 . B B . 7 ASP O 1 1
19 10093 2 1 8 ASP OD1 O 10.683 -10.542 -7.040 1.00 . B B . 7 ASP OD1 1 1
19 10094 2 1 8 ASP OD2 O 10.863 -9.221 -8.806 1.00 . B B . 7 ASP OD2 1 1
19 10095 2 1 9 SER C C 10.484 -8.634 -1.749 1.00 . B B . 8 SER C 1 1
19 10096 2 1 9 SER CA C 11.794 -8.947 -2.474 1.00 . B B . 8 SER CA 1 1
19 10097 2 1 9 SER CB C 12.946 -8.671 -1.504 1.00 . B B . 8 SER CB 1 1
19 10098 2 1 9 SER H H 12.981 -7.830 -3.788 1.00 . B B . 8 SER H 1 1
19 10099 2 1 9 SER HA H 11.787 -10.003 -2.726 1.00 . B B . 8 SER HA 1 1
19 10100 2 1 9 SER HB2 H 13.072 -7.595 -1.392 1.00 . B B . 8 SER HB2 1 1
19 10101 2 1 9 SER HB3 H 12.726 -9.107 -0.530 1.00 . B B . 8 SER HB3 1 1
19 10102 2 1 9 SER HG H 14.873 -8.885 -1.481 1.00 . B B . 8 SER HG 1 1
19 10103 2 1 9 SER N N 12.057 -8.226 -3.711 1.00 . B B . 8 SER N 1 1
19 10104 2 1 9 SER O O 10.133 -9.396 -0.850 1.00 . B B . 8 SER O 1 1
19 10105 2 1 9 SER OG O 14.135 -9.241 -1.986 1.00 . B B . 8 SER OG 1 1
19 10106 2 1 10 GLY C C 7.493 -6.941 -2.489 1.00 . B B . 9 GLY C 1 1
19 10107 2 1 10 GLY CA C 8.563 -7.124 -1.419 1.00 . B B . 9 GLY CA 1 1
19 10108 2 1 10 GLY H H 10.020 -7.015 -2.911 1.00 . B B . 9 GLY H 1 1
19 10109 2 1 10 GLY HA2 H 8.225 -7.851 -0.684 1.00 . B B . 9 GLY HA2 1 1
19 10110 2 1 10 GLY HA3 H 8.777 -6.191 -0.903 1.00 . B B . 9 GLY HA3 1 1
19 10111 2 1 10 GLY N N 9.777 -7.548 -2.088 1.00 . B B . 9 GLY N 1 1
19 10112 2 1 10 GLY O O 7.284 -7.841 -3.288 1.00 . B B . 9 GLY O 1 1
19 10113 2 1 11 TYR C C 6.012 -3.539 -2.124 1.00 . B B . 10 TYR C 1 1
19 10114 2 1 11 TYR CA C 7.126 -4.554 -1.940 1.00 . B B . 10 TYR CA 1 1
19 10115 2 1 11 TYR CB C 8.396 -3.971 -2.578 1.00 . B B . 10 TYR CB 1 1
19 10116 2 1 11 TYR CD1 C 9.343 -2.949 -0.463 1.00 . B B . 10 TYR CD1 1 1
19 10117 2 1 11 TYR CD2 C 10.779 -4.298 -1.887 1.00 . B B . 10 TYR CD2 1 1
19 10118 2 1 11 TYR CE1 C 10.413 -2.720 0.411 1.00 . B B . 10 TYR CE1 1 1
19 10119 2 1 11 TYR CE2 C 11.860 -4.042 -1.039 1.00 . B B . 10 TYR CE2 1 1
19 10120 2 1 11 TYR CG C 9.526 -3.737 -1.612 1.00 . B B . 10 TYR CG 1 1
19 10121 2 1 11 TYR CZ C 11.688 -3.248 0.114 1.00 . B B . 10 TYR CZ 1 1
19 10122 2 1 11 TYR H H 6.225 -5.704 -3.394 1.00 . B B . 10 TYR H 1 1
19 10123 2 1 11 TYR HA H 7.272 -4.727 -0.873 1.00 . B B . 10 TYR HA 1 1
19 10124 2 1 11 TYR HB2 H 8.750 -4.624 -3.376 1.00 . B B . 10 TYR HB2 1 1
19 10125 2 1 11 TYR HB3 H 8.157 -3.028 -3.065 1.00 . B B . 10 TYR HB3 1 1
19 10126 2 1 11 TYR HD1 H 8.388 -2.503 -0.254 1.00 . B B . 10 TYR HD1 1 1
19 10127 2 1 11 TYR HD2 H 10.913 -4.919 -2.756 1.00 . B B . 10 TYR HD2 1 1
19 10128 2 1 11 TYR HE1 H 10.253 -2.139 1.300 1.00 . B B . 10 TYR HE1 1 1
19 10129 2 1 11 TYR HE2 H 12.821 -4.449 -1.285 1.00 . B B . 10 TYR HE2 1 1
19 10130 2 1 11 TYR HH H 12.517 -2.441 1.679 1.00 . B B . 10 TYR HH 1 1
19 10131 2 1 11 TYR N N 6.807 -5.804 -2.585 1.00 . B B . 10 TYR N 1 1
19 10132 2 1 11 TYR O O 5.320 -3.512 -3.139 1.00 . B B . 10 TYR O 1 1
19 10133 2 1 11 TYR OH O 12.745 -3.013 0.941 1.00 . B B . 10 TYR OH 1 1
19 10134 2 1 12 GLU C C 6.568 -0.359 -0.722 1.00 . B B . 11 GLU C 1 1
19 10135 2 1 12 GLU CA C 5.518 -1.265 -1.368 1.00 . B B . 11 GLU CA 1 1
19 10136 2 1 12 GLU CB C 4.150 -1.152 -0.722 1.00 . B B . 11 GLU CB 1 1
19 10137 2 1 12 GLU CD C 2.343 0.470 -0.074 1.00 . B B . 11 GLU CD 1 1
19 10138 2 1 12 GLU CG C 3.558 0.241 -0.948 1.00 . B B . 11 GLU CG 1 1
19 10139 2 1 12 GLU H H 6.532 -2.761 -0.345 1.00 . B B . 11 GLU H 1 1
19 10140 2 1 12 GLU HA H 5.443 -1.054 -2.431 1.00 . B B . 11 GLU HA 1 1
19 10141 2 1 12 GLU HB2 H 3.487 -1.902 -1.154 1.00 . B B . 11 GLU HB2 1 1
19 10142 2 1 12 GLU HB3 H 4.256 -1.355 0.343 1.00 . B B . 11 GLU HB3 1 1
19 10143 2 1 12 GLU HG2 H 4.294 1.004 -0.695 1.00 . B B . 11 GLU HG2 1 1
19 10144 2 1 12 GLU HG3 H 3.286 0.356 -1.996 1.00 . B B . 11 GLU HG3 1 1
19 10145 2 1 12 GLU N N 5.984 -2.610 -1.178 1.00 . B B . 11 GLU N 1 1
19 10146 2 1 12 GLU O O 6.550 -0.127 0.487 1.00 . B B . 11 GLU O 1 1
19 10147 2 1 12 GLU OE1 O 2.000 -0.391 0.741 1.00 . B B . 11 GLU OE1 1 1
19 10148 2 1 12 GLU OE2 O 1.774 1.581 -0.189 1.00 . B B . 11 GLU OE2 1 1
19 10149 2 1 13 VAL C C 8.392 2.174 -0.519 1.00 . B B . 12 VAL C 1 1
19 10150 2 1 13 VAL CA C 8.716 0.806 -1.125 1.00 . B B . 12 VAL CA 1 1
19 10151 2 1 13 VAL CB C 9.691 0.925 -2.311 1.00 . B B . 12 VAL CB 1 1
19 10152 2 1 13 VAL CG1 C 10.883 1.830 -1.980 1.00 . B B . 12 VAL CG1 1 1
19 10153 2 1 13 VAL CG2 C 10.248 -0.453 -2.681 1.00 . B B . 12 VAL CG2 1 1
19 10154 2 1 13 VAL H H 7.438 -0.108 -2.529 1.00 . B B . 12 VAL H 1 1
19 10155 2 1 13 VAL HA H 9.219 0.200 -0.383 1.00 . B B . 12 VAL HA 1 1
19 10156 2 1 13 VAL HB H 9.160 1.340 -3.167 1.00 . B B . 12 VAL HB 1 1
19 10157 2 1 13 VAL HG11 H 10.534 2.855 -1.878 1.00 . B B . 12 VAL HG11 1 1
19 10158 2 1 13 VAL HG12 H 11.351 1.511 -1.048 1.00 . B B . 12 VAL HG12 1 1
19 10159 2 1 13 VAL HG13 H 11.619 1.799 -2.780 1.00 . B B . 12 VAL HG13 1 1
19 10160 2 1 13 VAL HG21 H 10.925 -0.348 -3.526 1.00 . B B . 12 VAL HG21 1 1
19 10161 2 1 13 VAL HG22 H 10.782 -0.875 -1.831 1.00 . B B . 12 VAL HG22 1 1
19 10162 2 1 13 VAL HG23 H 9.436 -1.114 -2.972 1.00 . B B . 12 VAL HG23 1 1
19 10163 2 1 13 VAL N N 7.513 0.105 -1.546 1.00 . B B . 12 VAL N 1 1
19 10164 2 1 13 VAL O O 9.075 2.590 0.417 1.00 . B B . 12 VAL O 1 1
19 10165 2 1 14 HIS C C 6.793 4.608 0.650 1.00 . B B . 13 HIS C 1 1
19 10166 2 1 14 HIS CA C 7.207 4.298 -0.785 1.00 . B B . 13 HIS CA 1 1
19 10167 2 1 14 HIS CB C 6.220 4.935 -1.767 1.00 . B B . 13 HIS CB 1 1
19 10168 2 1 14 HIS CD2 C 4.098 5.600 -0.480 1.00 . B B . 13 HIS CD2 1 1
19 10169 2 1 14 HIS CE1 C 2.668 4.190 -1.337 1.00 . B B . 13 HIS CE1 1 1
19 10170 2 1 14 HIS CG C 4.768 4.815 -1.381 1.00 . B B . 13 HIS CG 1 1
19 10171 2 1 14 HIS H H 6.833 2.469 -1.797 1.00 . B B . 13 HIS H 1 1
19 10172 2 1 14 HIS HA H 8.184 4.749 -0.952 1.00 . B B . 13 HIS HA 1 1
19 10173 2 1 14 HIS HB2 H 6.454 5.997 -1.829 1.00 . B B . 13 HIS HB2 1 1
19 10174 2 1 14 HIS HB3 H 6.360 4.506 -2.759 1.00 . B B . 13 HIS HB3 1 1
19 10175 2 1 14 HIS HD1 H 4.035 3.243 -2.615 1.00 . B B . 13 HIS HD1 1 1
19 10176 2 1 14 HIS HD2 H 4.522 6.405 0.103 1.00 . B B . 13 HIS HD2 1 1
19 10177 2 1 14 HIS HE1 H 1.751 3.674 -1.568 1.00 . B B . 13 HIS HE1 1 1
19 10178 2 1 14 HIS N N 7.379 2.876 -1.051 1.00 . B B . 13 HIS N 1 1
19 10179 2 1 14 HIS ND1 N 3.854 3.937 -1.903 1.00 . B B . 13 HIS ND1 1 1
19 10180 2 1 14 HIS NE2 N 2.769 5.182 -0.446 1.00 . B B . 13 HIS NE2 1 1
19 10181 2 1 14 HIS O O 6.999 5.735 1.082 1.00 . B B . 13 HIS O 1 1
19 10182 2 1 15 HIS C C 6.277 2.303 3.408 1.00 . B B . 14 HIS C 1 1
19 10183 2 1 15 HIS CA C 6.111 3.711 2.831 1.00 . B B . 14 HIS CA 1 1
19 10184 2 1 15 HIS CB C 4.854 4.494 3.267 1.00 . B B . 14 HIS CB 1 1
19 10185 2 1 15 HIS CD2 C 3.010 3.071 2.175 1.00 . B B . 14 HIS CD2 1 1
19 10186 2 1 15 HIS CE1 C 1.678 2.805 3.891 1.00 . B B . 14 HIS CE1 1 1
19 10187 2 1 15 HIS CG C 3.543 3.755 3.229 1.00 . B B . 14 HIS CG 1 1
19 10188 2 1 15 HIS H H 6.071 2.739 0.947 1.00 . B B . 14 HIS H 1 1
19 10189 2 1 15 HIS HA H 6.963 4.284 3.193 1.00 . B B . 14 HIS HA 1 1
19 10190 2 1 15 HIS HB2 H 5.007 4.817 4.295 1.00 . B B . 14 HIS HB2 1 1
19 10191 2 1 15 HIS HB3 H 4.761 5.396 2.663 1.00 . B B . 14 HIS HB3 1 1
19 10192 2 1 15 HIS HD1 H 2.829 3.936 5.231 1.00 . B B . 14 HIS HD1 1 1
19 10193 2 1 15 HIS HD2 H 3.453 2.977 1.195 1.00 . B B . 14 HIS HD2 1 1
19 10194 2 1 15 HIS HE1 H 0.875 2.467 4.525 1.00 . B B . 14 HIS HE1 1 1
19 10195 2 1 15 HIS N N 6.242 3.636 1.383 1.00 . B B . 14 HIS N 1 1
19 10196 2 1 15 HIS ND1 N 2.690 3.587 4.293 1.00 . B B . 14 HIS ND1 1 1
19 10197 2 1 15 HIS NE2 N 1.818 2.479 2.599 1.00 . B B . 14 HIS NE2 1 1
19 10198 2 1 15 HIS O O 5.430 1.804 4.145 1.00 . B B . 14 HIS O 1 1
19 10199 2 1 16 GLN C C 7.865 0.222 4.990 1.00 . B B . 15 GLN C 1 1
19 10200 2 1 16 GLN CA C 7.794 0.333 3.468 1.00 . B B . 15 GLN CA 1 1
19 10201 2 1 16 GLN CB C 9.140 -0.043 2.832 1.00 . B B . 15 GLN CB 1 1
19 10202 2 1 16 GLN CD C 11.627 0.445 2.577 1.00 . B B . 15 GLN CD 1 1
19 10203 2 1 16 GLN CG C 10.299 0.905 3.180 1.00 . B B . 15 GLN CG 1 1
19 10204 2 1 16 GLN H H 8.033 2.132 2.413 1.00 . B B . 15 GLN H 1 1
19 10205 2 1 16 GLN HA H 7.048 -0.374 3.109 1.00 . B B . 15 GLN HA 1 1
19 10206 2 1 16 GLN HB2 H 9.406 -1.041 3.165 1.00 . B B . 15 GLN HB2 1 1
19 10207 2 1 16 GLN HB3 H 9.017 -0.078 1.755 1.00 . B B . 15 GLN HB3 1 1
19 10208 2 1 16 GLN HE21 H 12.124 2.340 2.050 1.00 . B B . 15 GLN HE21 1 1
19 10209 2 1 16 GLN HE22 H 13.309 1.112 1.671 1.00 . B B . 15 GLN HE22 1 1
19 10210 2 1 16 GLN HG2 H 10.071 1.903 2.809 1.00 . B B . 15 GLN HG2 1 1
19 10211 2 1 16 GLN HG3 H 10.417 0.963 4.261 1.00 . B B . 15 GLN HG3 1 1
19 10212 2 1 16 GLN N N 7.391 1.660 3.030 1.00 . B B . 15 GLN N 1 1
19 10213 2 1 16 GLN NE2 N 12.414 1.373 2.055 1.00 . B B . 15 GLN NE2 1 1
19 10214 2 1 16 GLN O O 7.928 1.224 5.698 1.00 . B B . 15 GLN O 1 1
19 10215 2 1 16 GLN OE1 O 11.960 -0.734 2.584 1.00 . B B . 15 GLN OE1 1 1
19 10216 2 1 17 LYS C C 9.418 -1.234 7.405 1.00 . B B . 16 LYS C 1 1
19 10217 2 1 17 LYS CA C 7.977 -1.320 6.903 1.00 . B B . 16 LYS CA 1 1
19 10218 2 1 17 LYS CB C 7.357 -2.695 7.172 1.00 . B B . 16 LYS CB 1 1
19 10219 2 1 17 LYS CD C 5.129 -3.802 7.531 1.00 . B B . 16 LYS CD 1 1
19 10220 2 1 17 LYS CE C 3.634 -3.556 7.382 1.00 . B B . 16 LYS CE 1 1
19 10221 2 1 17 LYS CG C 5.849 -2.608 6.927 1.00 . B B . 16 LYS CG 1 1
19 10222 2 1 17 LYS H H 7.852 -1.794 4.838 1.00 . B B . 16 LYS H 1 1
19 10223 2 1 17 LYS HA H 7.403 -0.575 7.453 1.00 . B B . 16 LYS HA 1 1
19 10224 2 1 17 LYS HB2 H 7.803 -3.454 6.528 1.00 . B B . 16 LYS HB2 1 1
19 10225 2 1 17 LYS HB3 H 7.536 -2.974 8.210 1.00 . B B . 16 LYS HB3 1 1
19 10226 2 1 17 LYS HD2 H 5.424 -4.719 7.022 1.00 . B B . 16 LYS HD2 1 1
19 10227 2 1 17 LYS HD3 H 5.377 -3.875 8.588 1.00 . B B . 16 LYS HD3 1 1
19 10228 2 1 17 LYS HE2 H 3.387 -2.576 7.792 1.00 . B B . 16 LYS HE2 1 1
19 10229 2 1 17 LYS HE3 H 3.362 -3.575 6.328 1.00 . B B . 16 LYS HE3 1 1
19 10230 2 1 17 LYS HG2 H 5.462 -1.708 7.405 1.00 . B B . 16 LYS HG2 1 1
19 10231 2 1 17 LYS HG3 H 5.644 -2.558 5.856 1.00 . B B . 16 LYS HG3 1 1
19 10232 2 1 17 LYS HZ1 H 1.885 -4.402 7.997 1.00 . B B . 16 LYS HZ1 1 1
19 10233 2 1 17 LYS HZ2 H 3.094 -5.491 7.729 1.00 . B B . 16 LYS HZ2 1 1
19 10234 2 1 17 LYS HZ3 H 3.116 -4.549 9.078 1.00 . B B . 16 LYS HZ3 1 1
19 10235 2 1 17 LYS N N 7.880 -1.016 5.483 1.00 . B B . 16 LYS N 1 1
19 10236 2 1 17 LYS NZ N 2.875 -4.576 8.097 1.00 . B B . 16 LYS NZ 1 1
19 10237 2 1 17 LYS O O 10.358 -1.154 6.618 1.00 . B B . 16 LYS O 1 1
19 10238 2 1 18 NH2 HN1 H 10.530 -1.194 9.109 1.00 . B B . 17 NH2 HN1 1 1
19 10239 2 1 18 NH2 HN2 H 8.800 -1.297 9.341 1.00 . B B . 17 NH2 HN2 1 1
19 10240 2 1 18 NH2 N N 9.597 -1.238 8.725 1.00 . B B . 17 NH2 N 1 1
19 10241 3 2 1 ZN ZN ZN 0.781 1.013 1.550 1.00 . C A . 101 ZN ZN 1 1
20 10242 1 1 1 ACE C C -11.284 -6.383 -0.299 1.00 . A A . 0 ACE C 1 1
20 10243 1 1 1 ACE CH3 C -10.002 -5.825 0.301 1.00 . A A . 0 ACE CH3 1 1
20 10244 1 1 1 ACE H1 H -10.238 -5.182 1.148 1.00 . A A . 0 ACE H1 1 1
20 10245 1 1 1 ACE H2 H -9.360 -6.638 0.635 1.00 . A A . 0 ACE H2 1 1
20 10246 1 1 1 ACE H3 H -9.480 -5.245 -0.456 1.00 . A A . 0 ACE H3 1 1
20 10247 1 1 1 ACE O O -11.379 -7.582 -0.543 1.00 . A A . 0 ACE O 1 1
20 10248 1 1 2 ASP C C -14.409 -4.520 -1.191 1.00 . A A . 1 ASP C 1 1
20 10249 1 1 2 ASP CA C -13.623 -5.819 -0.962 1.00 . A A . 1 ASP CA 1 1
20 10250 1 1 2 ASP CB C -14.325 -6.725 0.062 1.00 . A A . 1 ASP CB 1 1
20 10251 1 1 2 ASP CG C -15.624 -7.269 -0.506 1.00 . A A . 1 ASP CG 1 1
20 10252 1 1 2 ASP H H -12.081 -4.529 -0.330 1.00 . A A . 1 ASP H 1 1
20 10253 1 1 2 ASP HA H -13.567 -6.363 -1.900 1.00 . A A . 1 ASP HA 1 1
20 10254 1 1 2 ASP HB2 H -13.705 -7.576 0.334 1.00 . A A . 1 ASP HB2 1 1
20 10255 1 1 2 ASP HB3 H -14.532 -6.152 0.965 1.00 . A A . 1 ASP HB3 1 1
20 10256 1 1 2 ASP N N -12.261 -5.502 -0.532 1.00 . A A . 1 ASP N 1 1
20 10257 1 1 2 ASP O O -13.940 -3.454 -0.805 1.00 . A A . 1 ASP O 1 1
20 10258 1 1 2 ASP OD1 O -15.602 -7.957 -1.536 1.00 . A A . 1 ASP OD1 1 1
20 10259 1 1 2 ASP OD2 O -16.665 -6.941 0.100 1.00 . A A . 1 ASP OD2 1 1
20 10260 1 1 3 ALA C C -16.749 -2.574 -0.921 1.00 . A A . 2 ALA C 1 1
20 10261 1 1 3 ALA CA C -16.507 -3.507 -2.108 1.00 . A A . 2 ALA CA 1 1
20 10262 1 1 3 ALA CB C -17.838 -4.088 -2.589 1.00 . A A . 2 ALA CB 1 1
20 10263 1 1 3 ALA H H -15.911 -5.530 -2.094 1.00 . A A . 2 ALA H 1 1
20 10264 1 1 3 ALA HA H -16.076 -2.921 -2.918 1.00 . A A . 2 ALA HA 1 1
20 10265 1 1 3 ALA HB1 H -18.566 -3.290 -2.720 1.00 . A A . 2 ALA HB1 1 1
20 10266 1 1 3 ALA HB2 H -17.694 -4.596 -3.542 1.00 . A A . 2 ALA HB2 1 1
20 10267 1 1 3 ALA HB3 H -18.228 -4.792 -1.854 1.00 . A A . 2 ALA HB3 1 1
20 10268 1 1 3 ALA N N -15.605 -4.614 -1.796 1.00 . A A . 2 ALA N 1 1
20 10269 1 1 3 ALA O O -16.617 -1.367 -1.075 1.00 . A A . 2 ALA O 1 1
20 10270 1 1 4 GLU C C -16.006 -1.660 2.030 1.00 . A A . 3 GLU C 1 1
20 10271 1 1 4 GLU CA C -17.262 -2.348 1.487 1.00 . A A . 3 GLU CA 1 1
20 10272 1 1 4 GLU CB C -17.888 -3.254 2.547 1.00 . A A . 3 GLU CB 1 1
20 10273 1 1 4 GLU CD C -17.603 -5.394 3.836 1.00 . A A . 3 GLU CD 1 1
20 10274 1 1 4 GLU CG C -16.937 -4.397 2.915 1.00 . A A . 3 GLU CG 1 1
20 10275 1 1 4 GLU H H -17.122 -4.123 0.326 1.00 . A A . 3 GLU H 1 1
20 10276 1 1 4 GLU HA H -17.968 -1.554 1.271 1.00 . A A . 3 GLU HA 1 1
20 10277 1 1 4 GLU HB2 H -18.109 -2.668 3.438 1.00 . A A . 3 GLU HB2 1 1
20 10278 1 1 4 GLU HB3 H -18.824 -3.652 2.157 1.00 . A A . 3 GLU HB3 1 1
20 10279 1 1 4 GLU HG2 H -16.604 -4.922 2.022 1.00 . A A . 3 GLU HG2 1 1
20 10280 1 1 4 GLU HG3 H -16.067 -3.980 3.417 1.00 . A A . 3 GLU HG3 1 1
20 10281 1 1 4 GLU N N -17.048 -3.118 0.261 1.00 . A A . 3 GLU N 1 1
20 10282 1 1 4 GLU O O -16.103 -0.915 2.996 1.00 . A A . 3 GLU O 1 1
20 10283 1 1 4 GLU OE1 O -18.551 -6.066 3.375 1.00 . A A . 3 GLU OE1 1 1
20 10284 1 1 4 GLU OE2 O -17.169 -5.488 4.990 1.00 . A A . 3 GLU OE2 1 1
20 10285 1 1 5 PHE C C -13.181 -0.293 0.523 1.00 . A A . 4 PHE C 1 1
20 10286 1 1 5 PHE CA C -13.607 -1.170 1.692 1.00 . A A . 4 PHE CA 1 1
20 10287 1 1 5 PHE CB C -12.508 -2.160 2.070 1.00 . A A . 4 PHE CB 1 1
20 10288 1 1 5 PHE CD1 C -13.440 -2.643 4.367 1.00 . A A . 4 PHE CD1 1 1
20 10289 1 1 5 PHE CD2 C -13.027 -4.501 2.855 1.00 . A A . 4 PHE CD2 1 1
20 10290 1 1 5 PHE CE1 C -13.977 -3.535 5.305 1.00 . A A . 4 PHE CE1 1 1
20 10291 1 1 5 PHE CE2 C -13.555 -5.395 3.797 1.00 . A A . 4 PHE CE2 1 1
20 10292 1 1 5 PHE CG C -12.962 -3.128 3.138 1.00 . A A . 4 PHE CG 1 1
20 10293 1 1 5 PHE CZ C -14.024 -4.911 5.029 1.00 . A A . 4 PHE CZ 1 1
20 10294 1 1 5 PHE H H -14.822 -2.592 0.697 1.00 . A A . 4 PHE H 1 1
20 10295 1 1 5 PHE HA H -13.760 -0.506 2.532 1.00 . A A . 4 PHE HA 1 1
20 10296 1 1 5 PHE HB2 H -12.207 -2.711 1.179 1.00 . A A . 4 PHE HB2 1 1
20 10297 1 1 5 PHE HB3 H -11.647 -1.603 2.439 1.00 . A A . 4 PHE HB3 1 1
20 10298 1 1 5 PHE HD1 H -13.431 -1.584 4.575 1.00 . A A . 4 PHE HD1 1 1
20 10299 1 1 5 PHE HD2 H -12.700 -4.863 1.899 1.00 . A A . 4 PHE HD2 1 1
20 10300 1 1 5 PHE HE1 H -14.361 -3.155 6.234 1.00 . A A . 4 PHE HE1 1 1
20 10301 1 1 5 PHE HE2 H -13.625 -6.445 3.559 1.00 . A A . 4 PHE HE2 1 1
20 10302 1 1 5 PHE HZ H -14.441 -5.591 5.753 1.00 . A A . 4 PHE HZ 1 1
20 10303 1 1 5 PHE N N -14.843 -1.892 1.421 1.00 . A A . 4 PHE N 1 1
20 10304 1 1 5 PHE O O -12.398 0.621 0.742 1.00 . A A . 4 PHE O 1 1
20 10305 1 1 6 ARG C C -14.282 1.708 -1.685 1.00 . A A . 5 ARG C 1 1
20 10306 1 1 6 ARG CA C -13.511 0.380 -1.834 1.00 . A A . 5 ARG CA 1 1
20 10307 1 1 6 ARG CB C -13.894 -0.366 -3.123 1.00 . A A . 5 ARG CB 1 1
20 10308 1 1 6 ARG CD C -11.715 -1.812 -2.949 1.00 . A A . 5 ARG CD 1 1
20 10309 1 1 6 ARG CG C -13.160 -1.681 -3.443 1.00 . A A . 5 ARG CG 1 1
20 10310 1 1 6 ARG CZ C -9.515 -0.983 -3.826 1.00 . A A . 5 ARG CZ 1 1
20 10311 1 1 6 ARG H H -14.376 -1.255 -0.804 1.00 . A A . 5 ARG H 1 1
20 10312 1 1 6 ARG HA H -12.450 0.627 -1.884 1.00 . A A . 5 ARG HA 1 1
20 10313 1 1 6 ARG HB2 H -14.960 -0.584 -3.067 1.00 . A A . 5 ARG HB2 1 1
20 10314 1 1 6 ARG HB3 H -13.737 0.305 -3.964 1.00 . A A . 5 ARG HB3 1 1
20 10315 1 1 6 ARG HD2 H -11.687 -1.671 -1.872 1.00 . A A . 5 ARG HD2 1 1
20 10316 1 1 6 ARG HD3 H -11.369 -2.820 -3.161 1.00 . A A . 5 ARG HD3 1 1
20 10317 1 1 6 ARG HE H -11.245 0.047 -3.842 1.00 . A A . 5 ARG HE 1 1
20 10318 1 1 6 ARG HG2 H -13.732 -2.502 -3.027 1.00 . A A . 5 ARG HG2 1 1
20 10319 1 1 6 ARG HG3 H -13.171 -1.822 -4.521 1.00 . A A . 5 ARG HG3 1 1
20 10320 1 1 6 ARG HH11 H -9.365 -2.909 -3.176 1.00 . A A . 5 ARG HH11 1 1
20 10321 1 1 6 ARG HH12 H -7.874 -2.178 -3.725 1.00 . A A . 5 ARG HH12 1 1
20 10322 1 1 6 ARG HH21 H -9.292 0.926 -4.504 1.00 . A A . 5 ARG HH21 1 1
20 10323 1 1 6 ARG HH22 H -7.838 -0.049 -4.496 1.00 . A A . 5 ARG HH22 1 1
20 10324 1 1 6 ARG N N -13.729 -0.489 -0.682 1.00 . A A . 5 ARG N 1 1
20 10325 1 1 6 ARG NE N -10.826 -0.836 -3.588 1.00 . A A . 5 ARG NE 1 1
20 10326 1 1 6 ARG NH1 N -8.867 -2.117 -3.554 1.00 . A A . 5 ARG NH1 1 1
20 10327 1 1 6 ARG NH2 N -8.833 0.040 -4.344 1.00 . A A . 5 ARG NH2 1 1
20 10328 1 1 6 ARG O O -14.810 2.234 -2.657 1.00 . A A . 5 ARG O 1 1
20 10329 1 1 7 ARG C C -14.219 4.691 -0.352 1.00 . A A . 6 ARG C 1 1
20 10330 1 1 7 ARG CA C -15.076 3.452 -0.093 1.00 . A A . 6 ARG CA 1 1
20 10331 1 1 7 ARG CB C -15.476 3.380 1.384 1.00 . A A . 6 ARG CB 1 1
20 10332 1 1 7 ARG CD C -17.693 2.114 1.027 1.00 . A A . 6 ARG CD 1 1
20 10333 1 1 7 ARG CG C -16.346 2.175 1.756 1.00 . A A . 6 ARG CG 1 1
20 10334 1 1 7 ARG CZ C -17.882 1.710 -1.451 1.00 . A A . 6 ARG CZ 1 1
20 10335 1 1 7 ARG H H -13.960 1.730 0.306 1.00 . A A . 6 ARG H 1 1
20 10336 1 1 7 ARG HA H -15.974 3.525 -0.691 1.00 . A A . 6 ARG HA 1 1
20 10337 1 1 7 ARG HB2 H -14.571 3.348 1.990 1.00 . A A . 6 ARG HB2 1 1
20 10338 1 1 7 ARG HB3 H -16.023 4.283 1.643 1.00 . A A . 6 ARG HB3 1 1
20 10339 1 1 7 ARG HD2 H -18.412 1.636 1.687 1.00 . A A . 6 ARG HD2 1 1
20 10340 1 1 7 ARG HD3 H -18.052 3.119 0.824 1.00 . A A . 6 ARG HD3 1 1
20 10341 1 1 7 ARG HE H -17.339 0.346 -0.073 1.00 . A A . 6 ARG HE 1 1
20 10342 1 1 7 ARG HG2 H -15.790 1.258 1.572 1.00 . A A . 6 ARG HG2 1 1
20 10343 1 1 7 ARG HG3 H -16.543 2.239 2.825 1.00 . A A . 6 ARG HG3 1 1
20 10344 1 1 7 ARG HH11 H -18.341 3.651 -1.031 1.00 . A A . 6 ARG HH11 1 1
20 10345 1 1 7 ARG HH12 H -18.415 3.209 -2.721 1.00 . A A . 6 ARG HH12 1 1
20 10346 1 1 7 ARG HH21 H -17.460 -0.115 -2.241 1.00 . A A . 6 ARG HH21 1 1
20 10347 1 1 7 ARG HH22 H -17.946 1.107 -3.387 1.00 . A A . 6 ARG HH22 1 1
20 10348 1 1 7 ARG N N -14.384 2.232 -0.458 1.00 . A A . 6 ARG N 1 1
20 10349 1 1 7 ARG NE N -17.618 1.309 -0.198 1.00 . A A . 6 ARG NE 1 1
20 10350 1 1 7 ARG NH1 N -18.257 2.954 -1.757 1.00 . A A . 6 ARG NH1 1 1
20 10351 1 1 7 ARG NH2 N -17.753 0.830 -2.438 1.00 . A A . 6 ARG NH2 1 1
20 10352 1 1 7 ARG O O -13.006 4.605 -0.539 1.00 . A A . 6 ARG O 1 1
20 10353 1 1 8 ASP C C -13.367 7.667 0.484 1.00 . A A . 7 ASP C 1 1
20 10354 1 1 8 ASP CA C -14.238 7.127 -0.658 1.00 . A A . 7 ASP CA 1 1
20 10355 1 1 8 ASP CB C -15.322 8.128 -1.063 1.00 . A A . 7 ASP CB 1 1
20 10356 1 1 8 ASP CG C -16.188 8.611 0.088 1.00 . A A . 7 ASP CG 1 1
20 10357 1 1 8 ASP H H -15.855 5.865 -0.135 1.00 . A A . 7 ASP H 1 1
20 10358 1 1 8 ASP HA H -13.599 6.969 -1.525 1.00 . A A . 7 ASP HA 1 1
20 10359 1 1 8 ASP HB2 H -14.838 8.983 -1.521 1.00 . A A . 7 ASP HB2 1 1
20 10360 1 1 8 ASP HB3 H -15.979 7.673 -1.798 1.00 . A A . 7 ASP HB3 1 1
20 10361 1 1 8 ASP N N -14.866 5.858 -0.333 1.00 . A A . 7 ASP N 1 1
20 10362 1 1 8 ASP O O -12.408 8.381 0.226 1.00 . A A . 7 ASP O 1 1
20 10363 1 1 8 ASP OD1 O -15.698 9.472 0.853 1.00 . A A . 7 ASP OD1 1 1
20 10364 1 1 8 ASP OD2 O -17.335 8.157 0.186 1.00 . A A . 7 ASP OD2 1 1
20 10365 1 1 9 SER C C -11.757 7.146 3.280 1.00 . A A . 8 SER C 1 1
20 10366 1 1 9 SER CA C -13.017 7.932 2.900 1.00 . A A . 8 SER CA 1 1
20 10367 1 1 9 SER CB C -13.984 8.060 4.081 1.00 . A A . 8 SER CB 1 1
20 10368 1 1 9 SER H H -14.541 6.846 1.901 1.00 . A A . 8 SER H 1 1
20 10369 1 1 9 SER HA H -12.714 8.942 2.632 1.00 . A A . 8 SER HA 1 1
20 10370 1 1 9 SER HB2 H -14.294 7.072 4.420 1.00 . A A . 8 SER HB2 1 1
20 10371 1 1 9 SER HB3 H -13.465 8.573 4.887 1.00 . A A . 8 SER HB3 1 1
20 10372 1 1 9 SER HG H -15.725 8.233 3.253 1.00 . A A . 8 SER HG 1 1
20 10373 1 1 9 SER N N -13.688 7.355 1.742 1.00 . A A . 8 SER N 1 1
20 10374 1 1 9 SER O O -11.681 6.582 4.368 1.00 . A A . 8 SER O 1 1
20 10375 1 1 9 SER OG O -15.124 8.811 3.736 1.00 . A A . 8 SER OG 1 1
20 10376 1 1 10 GLY C C -8.495 6.948 1.596 1.00 . A A . 9 GLY C 1 1
20 10377 1 1 10 GLY CA C -9.451 6.542 2.712 1.00 . A A . 9 GLY CA 1 1
20 10378 1 1 10 GLY H H -10.827 7.542 1.497 1.00 . A A . 9 GLY H 1 1
20 10379 1 1 10 GLY HA2 H -9.086 6.913 3.666 1.00 . A A . 9 GLY HA2 1 1
20 10380 1 1 10 GLY HA3 H -9.558 5.465 2.812 1.00 . A A . 9 GLY HA3 1 1
20 10381 1 1 10 GLY N N -10.747 7.110 2.407 1.00 . A A . 9 GLY N 1 1
20 10382 1 1 10 GLY O O -8.446 8.123 1.247 1.00 . A A . 9 GLY O 1 1
20 10383 1 1 11 TYR C C -6.424 4.004 0.655 1.00 . A A . 10 TYR C 1 1
20 10384 1 1 11 TYR CA C -7.658 4.616 1.308 1.00 . A A . 10 TYR CA 1 1
20 10385 1 1 11 TYR CB C -8.915 3.912 0.779 1.00 . A A . 10 TYR CB 1 1
20 10386 1 1 11 TYR CD1 C -8.869 2.161 2.611 1.00 . A A . 10 TYR CD1 1 1
20 10387 1 1 11 TYR CD2 C -10.990 3.168 1.990 1.00 . A A . 10 TYR CD2 1 1
20 10388 1 1 11 TYR CE1 C -9.514 1.334 3.537 1.00 . A A . 10 TYR CE1 1 1
20 10389 1 1 11 TYR CE2 C -11.645 2.346 2.915 1.00 . A A . 10 TYR CE2 1 1
20 10390 1 1 11 TYR CG C -9.604 3.056 1.815 1.00 . A A . 10 TYR CG 1 1
20 10391 1 1 11 TYR CZ C -10.916 1.392 3.661 1.00 . A A . 10 TYR CZ 1 1
20 10392 1 1 11 TYR H H -7.253 6.302 0.169 1.00 . A A . 10 TYR H 1 1
20 10393 1 1 11 TYR HA H -7.592 4.494 2.388 1.00 . A A . 10 TYR HA 1 1
20 10394 1 1 11 TYR HB2 H -9.629 4.648 0.404 1.00 . A A . 10 TYR HB2 1 1
20 10395 1 1 11 TYR HB3 H -8.650 3.293 -0.075 1.00 . A A . 10 TYR HB3 1 1
20 10396 1 1 11 TYR HD1 H -7.807 2.074 2.493 1.00 . A A . 10 TYR HD1 1 1
20 10397 1 1 11 TYR HD2 H -11.551 3.883 1.410 1.00 . A A . 10 TYR HD2 1 1
20 10398 1 1 11 TYR HE1 H -8.934 0.656 4.141 1.00 . A A . 10 TYR HE1 1 1
20 10399 1 1 11 TYR HE2 H -12.709 2.440 3.040 1.00 . A A . 10 TYR HE2 1 1
20 10400 1 1 11 TYR HH H -12.508 0.700 4.533 1.00 . A A . 10 TYR HH 1 1
20 10401 1 1 11 TYR N N -7.733 6.028 1.005 1.00 . A A . 10 TYR N 1 1
20 10402 1 1 11 TYR O O -6.109 4.332 -0.481 1.00 . A A . 10 TYR O 1 1
20 10403 1 1 11 TYR OH O -11.557 0.565 4.530 1.00 . A A . 10 TYR OH 1 1
20 10404 1 1 12 GLU C C -5.490 0.678 1.255 1.00 . A A . 11 GLU C 1 1
20 10405 1 1 12 GLU CA C -4.956 2.025 0.739 1.00 . A A . 11 GLU CA 1 1
20 10406 1 1 12 GLU CB C -3.489 2.301 1.081 1.00 . A A . 11 GLU CB 1 1
20 10407 1 1 12 GLU CD C -1.254 1.191 0.661 1.00 . A A . 11 GLU CD 1 1
20 10408 1 1 12 GLU CG C -2.574 1.626 0.056 1.00 . A A . 11 GLU CG 1 1
20 10409 1 1 12 GLU H H -6.082 2.869 2.283 1.00 . A A . 11 GLU H 1 1
20 10410 1 1 12 GLU HA H -5.068 2.064 -0.343 1.00 . A A . 11 GLU HA 1 1
20 10411 1 1 12 GLU HB2 H -3.294 3.374 1.069 1.00 . A A . 11 GLU HB2 1 1
20 10412 1 1 12 GLU HB3 H -3.279 1.941 2.083 1.00 . A A . 11 GLU HB3 1 1
20 10413 1 1 12 GLU HG2 H -3.068 0.742 -0.347 1.00 . A A . 11 GLU HG2 1 1
20 10414 1 1 12 GLU HG3 H -2.383 2.314 -0.764 1.00 . A A . 11 GLU HG3 1 1
20 10415 1 1 12 GLU N N -5.797 3.044 1.332 1.00 . A A . 11 GLU N 1 1
20 10416 1 1 12 GLU O O -4.984 0.110 2.224 1.00 . A A . 11 GLU O 1 1
20 10417 1 1 12 GLU OE1 O -0.602 2.013 1.339 1.00 . A A . 11 GLU OE1 1 1
20 10418 1 1 12 GLU OE2 O -0.904 0.017 0.500 1.00 . A A . 11 GLU OE2 1 1
20 10419 1 1 13 VAL C C -6.978 -2.032 1.614 1.00 . A A . 12 VAL C 1 1
20 10420 1 1 13 VAL CA C -7.568 -0.742 1.090 1.00 . A A . 12 VAL CA 1 1
20 10421 1 1 13 VAL CB C -8.583 -1.027 -0.040 1.00 . A A . 12 VAL CB 1 1
20 10422 1 1 13 VAL CG1 C -9.337 -2.357 0.129 1.00 . A A . 12 VAL CG1 1 1
20 10423 1 1 13 VAL CG2 C -9.610 0.103 -0.046 1.00 . A A . 12 VAL CG2 1 1
20 10424 1 1 13 VAL H H -6.882 0.768 -0.179 1.00 . A A . 12 VAL H 1 1
20 10425 1 1 13 VAL HA H -8.115 -0.312 1.922 1.00 . A A . 12 VAL HA 1 1
20 10426 1 1 13 VAL HB H -8.067 -1.051 -1.001 1.00 . A A . 12 VAL HB 1 1
20 10427 1 1 13 VAL HG11 H -10.117 -2.454 -0.620 1.00 . A A . 12 VAL HG11 1 1
20 10428 1 1 13 VAL HG12 H -8.644 -3.186 -0.002 1.00 . A A . 12 VAL HG12 1 1
20 10429 1 1 13 VAL HG13 H -9.782 -2.410 1.122 1.00 . A A . 12 VAL HG13 1 1
20 10430 1 1 13 VAL HG21 H -10.065 0.150 0.940 1.00 . A A . 12 VAL HG21 1 1
20 10431 1 1 13 VAL HG22 H -9.125 1.049 -0.264 1.00 . A A . 12 VAL HG22 1 1
20 10432 1 1 13 VAL HG23 H -10.368 -0.085 -0.803 1.00 . A A . 12 VAL HG23 1 1
20 10433 1 1 13 VAL N N -6.590 0.240 0.627 1.00 . A A . 12 VAL N 1 1
20 10434 1 1 13 VAL O O -7.518 -2.572 2.572 1.00 . A A . 12 VAL O 1 1
20 10435 1 1 14 HIS C C -4.907 -3.960 2.747 1.00 . A A . 13 HIS C 1 1
20 10436 1 1 14 HIS CA C -5.457 -3.883 1.315 1.00 . A A . 13 HIS CA 1 1
20 10437 1 1 14 HIS CB C -4.436 -4.308 0.269 1.00 . A A . 13 HIS CB 1 1
20 10438 1 1 14 HIS CD2 C -4.652 -6.853 0.194 1.00 . A A . 13 HIS CD2 1 1
20 10439 1 1 14 HIS CE1 C -2.692 -7.441 0.972 1.00 . A A . 13 HIS CE1 1 1
20 10440 1 1 14 HIS CG C -3.947 -5.715 0.460 1.00 . A A . 13 HIS CG 1 1
20 10441 1 1 14 HIS H H -5.501 -2.053 0.218 1.00 . A A . 13 HIS H 1 1
20 10442 1 1 14 HIS HA H -6.316 -4.550 1.247 1.00 . A A . 13 HIS HA 1 1
20 10443 1 1 14 HIS HB2 H -4.887 -4.235 -0.719 1.00 . A A . 13 HIS HB2 1 1
20 10444 1 1 14 HIS HB3 H -3.598 -3.619 0.301 1.00 . A A . 13 HIS HB3 1 1
20 10445 1 1 14 HIS HD1 H -1.981 -5.484 1.248 1.00 . A A . 13 HIS HD1 1 1
20 10446 1 1 14 HIS HD2 H -5.660 -6.897 -0.189 1.00 . A A . 13 HIS HD2 1 1
20 10447 1 1 14 HIS HE1 H -1.850 -8.032 1.303 1.00 . A A . 13 HIS HE1 1 1
20 10448 1 1 14 HIS N N -5.925 -2.552 0.988 1.00 . A A . 13 HIS N 1 1
20 10449 1 1 14 HIS ND1 N -2.727 -6.101 0.960 1.00 . A A . 13 HIS ND1 1 1
20 10450 1 1 14 HIS NE2 N -3.843 -7.946 0.508 1.00 . A A . 13 HIS NE2 1 1
20 10451 1 1 14 HIS O O -4.998 -5.023 3.356 1.00 . A A . 13 HIS O 1 1
20 10452 1 1 15 HIS C C -5.132 -2.799 5.720 1.00 . A A . 14 HIS C 1 1
20 10453 1 1 15 HIS CA C -3.986 -2.768 4.707 1.00 . A A . 14 HIS CA 1 1
20 10454 1 1 15 HIS CB C -3.159 -1.503 4.944 1.00 . A A . 14 HIS CB 1 1
20 10455 1 1 15 HIS CD2 C -1.331 -0.479 3.498 1.00 . A A . 14 HIS CD2 1 1
20 10456 1 1 15 HIS CE1 C 0.158 -2.088 3.533 1.00 . A A . 14 HIS CE1 1 1
20 10457 1 1 15 HIS CG C -1.841 -1.505 4.231 1.00 . A A . 14 HIS CG 1 1
20 10458 1 1 15 HIS H H -4.449 -1.975 2.787 1.00 . A A . 14 HIS H 1 1
20 10459 1 1 15 HIS HA H -3.353 -3.631 4.907 1.00 . A A . 14 HIS HA 1 1
20 10460 1 1 15 HIS HB2 H -3.743 -0.635 4.639 1.00 . A A . 14 HIS HB2 1 1
20 10461 1 1 15 HIS HB3 H -2.945 -1.403 6.009 1.00 . A A . 14 HIS HB3 1 1
20 10462 1 1 15 HIS HD1 H -0.963 -3.381 4.743 1.00 . A A . 14 HIS HD1 1 1
20 10463 1 1 15 HIS HD2 H -1.821 0.464 3.309 1.00 . A A . 14 HIS HD2 1 1
20 10464 1 1 15 HIS HE1 H 1.063 -2.653 3.373 1.00 . A A . 14 HIS HE1 1 1
20 10465 1 1 15 HIS N N -4.430 -2.838 3.316 1.00 . A A . 14 HIS N 1 1
20 10466 1 1 15 HIS ND1 N -0.895 -2.503 4.250 1.00 . A A . 14 HIS ND1 1 1
20 10467 1 1 15 HIS NE2 N -0.059 -0.857 3.063 1.00 . A A . 14 HIS NE2 1 1
20 10468 1 1 15 HIS O O -4.849 -2.955 6.903 1.00 . A A . 14 HIS O 1 1
20 10469 1 1 16 GLN C C -7.635 -4.061 6.927 1.00 . A A . 15 GLN C 1 1
20 10470 1 1 16 GLN CA C -7.539 -2.721 6.205 1.00 . A A . 15 GLN CA 1 1
20 10471 1 1 16 GLN CB C -8.832 -2.348 5.477 1.00 . A A . 15 GLN CB 1 1
20 10472 1 1 16 GLN CD C -10.329 -4.445 5.530 1.00 . A A . 15 GLN CD 1 1
20 10473 1 1 16 GLN CG C -9.540 -3.454 4.680 1.00 . A A . 15 GLN CG 1 1
20 10474 1 1 16 GLN H H -6.590 -2.514 4.323 1.00 . A A . 15 GLN H 1 1
20 10475 1 1 16 GLN HA H -7.381 -1.957 6.955 1.00 . A A . 15 GLN HA 1 1
20 10476 1 1 16 GLN HB2 H -9.510 -1.970 6.229 1.00 . A A . 15 GLN HB2 1 1
20 10477 1 1 16 GLN HB3 H -8.607 -1.530 4.800 1.00 . A A . 15 GLN HB3 1 1
20 10478 1 1 16 GLN HE21 H -11.189 -2.994 6.668 1.00 . A A . 15 GLN HE21 1 1
20 10479 1 1 16 GLN HE22 H -11.683 -4.630 7.031 1.00 . A A . 15 GLN HE22 1 1
20 10480 1 1 16 GLN HG2 H -10.235 -2.980 3.989 1.00 . A A . 15 GLN HG2 1 1
20 10481 1 1 16 GLN HG3 H -8.807 -4.015 4.101 1.00 . A A . 15 GLN HG3 1 1
20 10482 1 1 16 GLN N N -6.399 -2.667 5.300 1.00 . A A . 15 GLN N 1 1
20 10483 1 1 16 GLN NE2 N -11.117 -3.987 6.499 1.00 . A A . 15 GLN NE2 1 1
20 10484 1 1 16 GLN O O -8.077 -4.099 8.065 1.00 . A A . 15 GLN O 1 1
20 10485 1 1 16 GLN OE1 O -10.216 -5.641 5.314 1.00 . A A . 15 GLN OE1 1 1
20 10486 1 1 17 LYS C C -6.040 -6.475 8.059 1.00 . A A . 16 LYS C 1 1
20 10487 1 1 17 LYS CA C -7.017 -6.458 6.878 1.00 . A A . 16 LYS CA 1 1
20 10488 1 1 17 LYS CB C -6.525 -7.441 5.815 1.00 . A A . 16 LYS CB 1 1
20 10489 1 1 17 LYS CD C -7.185 -8.830 3.799 1.00 . A A . 16 LYS CD 1 1
20 10490 1 1 17 LYS CE C -5.841 -8.597 3.107 1.00 . A A . 16 LYS CE 1 1
20 10491 1 1 17 LYS CG C -7.554 -7.649 4.697 1.00 . A A . 16 LYS CG 1 1
20 10492 1 1 17 LYS H H -6.907 -5.005 5.319 1.00 . A A . 16 LYS H 1 1
20 10493 1 1 17 LYS HA H -7.986 -6.795 7.242 1.00 . A A . 16 LYS HA 1 1
20 10494 1 1 17 LYS HB2 H -5.593 -7.066 5.392 1.00 . A A . 16 LYS HB2 1 1
20 10495 1 1 17 LYS HB3 H -6.332 -8.402 6.294 1.00 . A A . 16 LYS HB3 1 1
20 10496 1 1 17 LYS HD2 H -7.134 -9.742 4.395 1.00 . A A . 16 LYS HD2 1 1
20 10497 1 1 17 LYS HD3 H -7.966 -8.949 3.050 1.00 . A A . 16 LYS HD3 1 1
20 10498 1 1 17 LYS HE2 H -5.863 -7.645 2.577 1.00 . A A . 16 LYS HE2 1 1
20 10499 1 1 17 LYS HE3 H -5.053 -8.564 3.855 1.00 . A A . 16 LYS HE3 1 1
20 10500 1 1 17 LYS HG2 H -8.525 -7.854 5.145 1.00 . A A . 16 LYS HG2 1 1
20 10501 1 1 17 LYS HG3 H -7.629 -6.745 4.091 1.00 . A A . 16 LYS HG3 1 1
20 10502 1 1 17 LYS HZ1 H -4.652 -9.508 1.717 1.00 . A A . 16 LYS HZ1 1 1
20 10503 1 1 17 LYS HZ2 H -5.520 -10.562 2.635 1.00 . A A . 16 LYS HZ2 1 1
20 10504 1 1 17 LYS HZ3 H -6.261 -9.702 1.443 1.00 . A A . 16 LYS HZ3 1 1
20 10505 1 1 17 LYS N N -7.170 -5.134 6.284 1.00 . A A . 16 LYS N 1 1
20 10506 1 1 17 LYS NZ N -5.546 -9.674 2.158 1.00 . A A . 16 LYS NZ 1 1
20 10507 1 1 17 LYS O O -6.166 -7.325 8.928 1.00 . A A . 16 LYS O 1 1
20 10508 1 1 18 NH2 HN1 H -5.004 -4.846 7.423 1.00 . A A . 17 NH2 HN1 1 1
20 10509 1 1 18 NH2 HN2 H -4.447 -5.561 8.921 1.00 . A A . 17 NH2 HN2 1 1
20 10510 1 1 18 NH2 N N -5.077 -5.559 8.132 1.00 . A A . 17 NH2 N 1 1
20 10511 2 1 1 ACE C C 12.877 8.314 -2.625 1.00 . B B . 0 ACE C 1 1
20 10512 2 1 1 ACE CH3 C 12.303 8.346 -1.221 1.00 . B B . 0 ACE CH3 1 1
20 10513 2 1 1 ACE H1 H 13.085 8.586 -0.502 1.00 . B B . 0 ACE H1 1 1
20 10514 2 1 1 ACE H2 H 11.530 9.111 -1.164 1.00 . B B . 0 ACE H2 1 1
20 10515 2 1 1 ACE H3 H 11.864 7.378 -0.992 1.00 . B B . 0 ACE H3 1 1
20 10516 2 1 1 ACE O O 12.199 8.734 -3.550 1.00 . B B . 0 ACE O 1 1
20 10517 2 1 2 ASP C C 14.826 6.559 -4.812 1.00 . B B . 1 ASP C 1 1
20 10518 2 1 2 ASP CA C 14.843 7.899 -4.062 1.00 . B B . 1 ASP CA 1 1
20 10519 2 1 2 ASP CB C 16.275 8.377 -3.797 1.00 . B B . 1 ASP CB 1 1
20 10520 2 1 2 ASP CG C 16.721 9.331 -4.898 1.00 . B B . 1 ASP CG 1 1
20 10521 2 1 2 ASP H H 14.613 7.482 -1.992 1.00 . B B . 1 ASP H 1 1
20 10522 2 1 2 ASP HA H 14.362 8.641 -4.702 1.00 . B B . 1 ASP HA 1 1
20 10523 2 1 2 ASP HB2 H 16.314 8.919 -2.850 1.00 . B B . 1 ASP HB2 1 1
20 10524 2 1 2 ASP HB3 H 16.953 7.526 -3.726 1.00 . B B . 1 ASP HB3 1 1
20 10525 2 1 2 ASP N N 14.116 7.842 -2.793 1.00 . B B . 1 ASP N 1 1
20 10526 2 1 2 ASP O O 14.441 5.533 -4.257 1.00 . B B . 1 ASP O 1 1
20 10527 2 1 2 ASP OD1 O 17.167 8.862 -5.962 1.00 . B B . 1 ASP OD1 1 1
20 10528 2 1 2 ASP OD2 O 16.581 10.544 -4.683 1.00 . B B . 1 ASP OD2 1 1
20 10529 2 1 3 ALA C C 15.833 4.165 -6.431 1.00 . B B . 2 ALA C 1 1
20 10530 2 1 3 ALA CA C 15.218 5.441 -6.992 1.00 . B B . 2 ALA CA 1 1
20 10531 2 1 3 ALA CB C 15.958 5.792 -8.281 1.00 . B B . 2 ALA CB 1 1
20 10532 2 1 3 ALA H H 15.619 7.445 -6.456 1.00 . B B . 2 ALA H 1 1
20 10533 2 1 3 ALA HA H 14.176 5.251 -7.223 1.00 . B B . 2 ALA HA 1 1
20 10534 2 1 3 ALA HB1 H 16.938 6.198 -8.038 1.00 . B B . 2 ALA HB1 1 1
20 10535 2 1 3 ALA HB2 H 16.085 4.895 -8.888 1.00 . B B . 2 ALA HB2 1 1
20 10536 2 1 3 ALA HB3 H 15.388 6.523 -8.843 1.00 . B B . 2 ALA HB3 1 1
20 10537 2 1 3 ALA N N 15.272 6.575 -6.077 1.00 . B B . 2 ALA N 1 1
20 10538 2 1 3 ALA O O 15.246 3.100 -6.580 1.00 . B B . 2 ALA O 1 1
20 10539 2 1 4 GLU C C 17.143 2.087 -4.599 1.00 . B B . 3 GLU C 1 1
20 10540 2 1 4 GLU CA C 17.846 3.133 -5.455 1.00 . B B . 3 GLU CA 1 1
20 10541 2 1 4 GLU CB C 19.132 3.630 -4.791 1.00 . B B . 3 GLU CB 1 1
20 10542 2 1 4 GLU CD C 19.976 5.372 -3.214 1.00 . B B . 3 GLU CD 1 1
20 10543 2 1 4 GLU CG C 18.852 4.401 -3.497 1.00 . B B . 3 GLU CG 1 1
20 10544 2 1 4 GLU H H 17.407 5.188 -5.693 1.00 . B B . 3 GLU H 1 1
20 10545 2 1 4 GLU HA H 18.115 2.648 -6.386 1.00 . B B . 3 GLU HA 1 1
20 10546 2 1 4 GLU HB2 H 19.787 2.785 -4.573 1.00 . B B . 3 GLU HB2 1 1
20 10547 2 1 4 GLU HB3 H 19.653 4.277 -5.497 1.00 . B B . 3 GLU HB3 1 1
20 10548 2 1 4 GLU HG2 H 17.932 4.980 -3.592 1.00 . B B . 3 GLU HG2 1 1
20 10549 2 1 4 GLU HG3 H 18.744 3.707 -2.665 1.00 . B B . 3 GLU HG3 1 1
20 10550 2 1 4 GLU N N 17.007 4.269 -5.808 1.00 . B B . 3 GLU N 1 1
20 10551 2 1 4 GLU O O 17.390 0.905 -4.819 1.00 . B B . 3 GLU O 1 1
20 10552 2 1 4 GLU OE1 O 21.045 4.917 -2.772 1.00 . B B . 3 GLU OE1 1 1
20 10553 2 1 4 GLU OE2 O 19.764 6.568 -3.448 1.00 . B B . 3 GLU OE2 1 1
20 10554 2 1 5 PHE C C 13.970 1.532 -3.330 1.00 . B B . 4 PHE C 1 1
20 10555 2 1 5 PHE CA C 15.440 1.576 -2.897 1.00 . B B . 4 PHE CA 1 1
20 10556 2 1 5 PHE CB C 15.624 1.871 -1.412 1.00 . B B . 4 PHE CB 1 1
20 10557 2 1 5 PHE CD1 C 15.596 4.365 -1.040 1.00 . B B . 4 PHE CD1 1 1
20 10558 2 1 5 PHE CD2 C 13.682 3.035 -0.319 1.00 . B B . 4 PHE CD2 1 1
20 10559 2 1 5 PHE CE1 C 14.979 5.518 -0.533 1.00 . B B . 4 PHE CE1 1 1
20 10560 2 1 5 PHE CE2 C 13.070 4.186 0.200 1.00 . B B . 4 PHE CE2 1 1
20 10561 2 1 5 PHE CG C 14.949 3.124 -0.919 1.00 . B B . 4 PHE CG 1 1
20 10562 2 1 5 PHE CZ C 13.724 5.424 0.093 1.00 . B B . 4 PHE CZ 1 1
20 10563 2 1 5 PHE H H 16.087 3.480 -3.565 1.00 . B B . 4 PHE H 1 1
20 10564 2 1 5 PHE HA H 15.818 0.571 -3.048 1.00 . B B . 4 PHE HA 1 1
20 10565 2 1 5 PHE HB2 H 15.226 1.031 -0.845 1.00 . B B . 4 PHE HB2 1 1
20 10566 2 1 5 PHE HB3 H 16.690 1.931 -1.196 1.00 . B B . 4 PHE HB3 1 1
20 10567 2 1 5 PHE HD1 H 16.560 4.424 -1.521 1.00 . B B . 4 PHE HD1 1 1
20 10568 2 1 5 PHE HD2 H 13.187 2.079 -0.265 1.00 . B B . 4 PHE HD2 1 1
20 10569 2 1 5 PHE HE1 H 15.470 6.474 -0.625 1.00 . B B . 4 PHE HE1 1 1
20 10570 2 1 5 PHE HE2 H 12.097 4.121 0.663 1.00 . B B . 4 PHE HE2 1 1
20 10571 2 1 5 PHE HZ H 13.256 6.310 0.485 1.00 . B B . 4 PHE HZ 1 1
20 10572 2 1 5 PHE N N 16.247 2.493 -3.690 1.00 . B B . 4 PHE N 1 1
20 10573 2 1 5 PHE O O 13.247 0.667 -2.840 1.00 . B B . 4 PHE O 1 1
20 10574 2 1 6 ARG C C 12.532 1.048 -6.041 1.00 . B B . 5 ARG C 1 1
20 10575 2 1 6 ARG CA C 12.344 2.225 -5.078 1.00 . B B . 5 ARG CA 1 1
20 10576 2 1 6 ARG CB C 12.018 3.543 -5.796 1.00 . B B . 5 ARG CB 1 1
20 10577 2 1 6 ARG CD C 9.473 3.348 -5.476 1.00 . B B . 5 ARG CD 1 1
20 10578 2 1 6 ARG CG C 10.638 3.525 -6.461 1.00 . B B . 5 ARG CG 1 1
20 10579 2 1 6 ARG CZ C 8.888 5.652 -4.733 1.00 . B B . 5 ARG CZ 1 1
20 10580 2 1 6 ARG H H 14.207 3.070 -4.643 1.00 . B B . 5 ARG H 1 1
20 10581 2 1 6 ARG HA H 11.522 2.006 -4.409 1.00 . B B . 5 ARG HA 1 1
20 10582 2 1 6 ARG HB2 H 12.062 4.365 -5.087 1.00 . B B . 5 ARG HB2 1 1
20 10583 2 1 6 ARG HB3 H 12.760 3.735 -6.564 1.00 . B B . 5 ARG HB3 1 1
20 10584 2 1 6 ARG HD2 H 8.543 3.320 -6.036 1.00 . B B . 5 ARG HD2 1 1
20 10585 2 1 6 ARG HD3 H 9.563 2.404 -4.937 1.00 . B B . 5 ARG HD3 1 1
20 10586 2 1 6 ARG HE H 9.750 4.224 -3.574 1.00 . B B . 5 ARG HE 1 1
20 10587 2 1 6 ARG HG2 H 10.510 4.459 -7.005 1.00 . B B . 5 ARG HG2 1 1
20 10588 2 1 6 ARG HG3 H 10.615 2.714 -7.184 1.00 . B B . 5 ARG HG3 1 1
20 10589 2 1 6 ARG HH11 H 8.469 5.337 -6.698 1.00 . B B . 5 ARG HH11 1 1
20 10590 2 1 6 ARG HH12 H 8.055 6.922 -6.089 1.00 . B B . 5 ARG HH12 1 1
20 10591 2 1 6 ARG HH21 H 9.088 6.295 -2.815 1.00 . B B . 5 ARG HH21 1 1
20 10592 2 1 6 ARG HH22 H 8.437 7.465 -3.937 1.00 . B B . 5 ARG HH22 1 1
20 10593 2 1 6 ARG N N 13.560 2.378 -4.294 1.00 . B B . 5 ARG N 1 1
20 10594 2 1 6 ARG NE N 9.397 4.433 -4.497 1.00 . B B . 5 ARG NE 1 1
20 10595 2 1 6 ARG NH1 N 8.450 6.004 -5.940 1.00 . B B . 5 ARG NH1 1 1
20 10596 2 1 6 ARG NH2 N 8.801 6.542 -3.751 1.00 . B B . 5 ARG NH2 1 1
20 10597 2 1 6 ARG O O 12.867 1.229 -7.210 1.00 . B B . 5 ARG O 1 1
20 10598 2 1 7 ARG C C 11.488 -2.337 -6.226 1.00 . B B . 6 ARG C 1 1
20 10599 2 1 7 ARG CA C 12.709 -1.425 -6.138 1.00 . B B . 6 ARG CA 1 1
20 10600 2 1 7 ARG CB C 13.801 -2.097 -5.303 1.00 . B B . 6 ARG CB 1 1
20 10601 2 1 7 ARG CD C 15.828 -1.229 -6.637 1.00 . B B . 6 ARG CD 1 1
20 10602 2 1 7 ARG CG C 15.132 -1.338 -5.276 1.00 . B B . 6 ARG CG 1 1
20 10603 2 1 7 ARG CZ C 15.827 0.397 -8.533 1.00 . B B . 6 ARG CZ 1 1
20 10604 2 1 7 ARG H H 12.142 -0.221 -4.530 1.00 . B B . 6 ARG H 1 1
20 10605 2 1 7 ARG HA H 13.086 -1.243 -7.139 1.00 . B B . 6 ARG HA 1 1
20 10606 2 1 7 ARG HB2 H 13.445 -2.177 -4.278 1.00 . B B . 6 ARG HB2 1 1
20 10607 2 1 7 ARG HB3 H 13.973 -3.101 -5.682 1.00 . B B . 6 ARG HB3 1 1
20 10608 2 1 7 ARG HD2 H 16.894 -1.402 -6.495 1.00 . B B . 6 ARG HD2 1 1
20 10609 2 1 7 ARG HD3 H 15.436 -1.992 -7.306 1.00 . B B . 6 ARG HD3 1 1
20 10610 2 1 7 ARG HE H 15.450 0.861 -6.603 1.00 . B B . 6 ARG HE 1 1
20 10611 2 1 7 ARG HG2 H 14.955 -0.344 -4.882 1.00 . B B . 6 ARG HG2 1 1
20 10612 2 1 7 ARG HG3 H 15.804 -1.851 -4.591 1.00 . B B . 6 ARG HG3 1 1
20 10613 2 1 7 ARG HH11 H 16.313 -1.483 -9.134 1.00 . B B . 6 ARG HH11 1 1
20 10614 2 1 7 ARG HH12 H 16.263 -0.277 -10.401 1.00 . B B . 6 ARG HH12 1 1
20 10615 2 1 7 ARG HH21 H 15.360 2.362 -8.311 1.00 . B B . 6 ARG HH21 1 1
20 10616 2 1 7 ARG HH22 H 15.774 1.866 -9.934 1.00 . B B . 6 ARG HH22 1 1
20 10617 2 1 7 ARG N N 12.370 -0.164 -5.508 1.00 . B B . 6 ARG N 1 1
20 10618 2 1 7 ARG NE N 15.666 0.102 -7.236 1.00 . B B . 6 ARG NE 1 1
20 10619 2 1 7 ARG NH1 N 16.167 -0.528 -9.427 1.00 . B B . 6 ARG NH1 1 1
20 10620 2 1 7 ARG NH2 N 15.648 1.644 -8.959 1.00 . B B . 6 ARG NH2 1 1
20 10621 2 1 7 ARG O O 10.528 -2.202 -5.466 1.00 . B B . 6 ARG O 1 1
20 10622 2 1 8 ASP C C 10.404 -5.391 -6.484 1.00 . B B . 7 ASP C 1 1
20 10623 2 1 8 ASP CA C 10.453 -4.201 -7.444 1.00 . B B . 7 ASP CA 1 1
20 10624 2 1 8 ASP CB C 10.624 -4.704 -8.877 1.00 . B B . 7 ASP CB 1 1
20 10625 2 1 8 ASP CG C 9.437 -5.561 -9.276 1.00 . B B . 7 ASP CG 1 1
20 10626 2 1 8 ASP H H 12.372 -3.363 -7.735 1.00 . B B . 7 ASP H 1 1
20 10627 2 1 8 ASP HA H 9.509 -3.659 -7.377 1.00 . B B . 7 ASP HA 1 1
20 10628 2 1 8 ASP HB2 H 10.706 -3.859 -9.561 1.00 . B B . 7 ASP HB2 1 1
20 10629 2 1 8 ASP HB3 H 11.535 -5.302 -8.944 1.00 . B B . 7 ASP HB3 1 1
20 10630 2 1 8 ASP N N 11.546 -3.291 -7.158 1.00 . B B . 7 ASP N 1 1
20 10631 2 1 8 ASP O O 9.318 -5.904 -6.235 1.00 . B B . 7 ASP O 1 1
20 10632 2 1 8 ASP OD1 O 8.422 -4.962 -9.703 1.00 . B B . 7 ASP OD1 1 1
20 10633 2 1 8 ASP OD2 O 9.517 -6.784 -9.110 1.00 . B B . 7 ASP OD2 1 1
20 10634 2 1 9 SER C C 11.222 -7.060 -3.841 1.00 . B B . 8 SER C 1 1
20 10635 2 1 9 SER CA C 11.685 -7.133 -5.300 1.00 . B B . 8 SER CA 1 1
20 10636 2 1 9 SER CB C 13.124 -7.651 -5.419 1.00 . B B . 8 SER CB 1 1
20 10637 2 1 9 SER H H 12.414 -5.403 -6.254 1.00 . B B . 8 SER H 1 1
20 10638 2 1 9 SER HA H 11.043 -7.836 -5.823 1.00 . B B . 8 SER HA 1 1
20 10639 2 1 9 SER HB2 H 13.808 -6.972 -4.913 1.00 . B B . 8 SER HB2 1 1
20 10640 2 1 9 SER HB3 H 13.192 -8.638 -4.960 1.00 . B B . 8 SER HB3 1 1
20 10641 2 1 9 SER HG H 13.714 -6.878 -7.100 1.00 . B B . 8 SER HG 1 1
20 10642 2 1 9 SER N N 11.556 -5.853 -5.981 1.00 . B B . 8 SER N 1 1
20 10643 2 1 9 SER O O 12.035 -7.030 -2.924 1.00 . B B . 8 SER O 1 1
20 10644 2 1 9 SER OG O 13.503 -7.757 -6.769 1.00 . B B . 8 SER OG 1 1
20 10645 2 1 10 GLY C C 7.783 -7.208 -2.529 1.00 . B B . 9 GLY C 1 1
20 10646 2 1 10 GLY CA C 9.285 -7.066 -2.310 1.00 . B B . 9 GLY CA 1 1
20 10647 2 1 10 GLY H H 9.276 -7.005 -4.411 1.00 . B B . 9 GLY H 1 1
20 10648 2 1 10 GLY HA2 H 9.661 -7.922 -1.756 1.00 . B B . 9 GLY HA2 1 1
20 10649 2 1 10 GLY HA3 H 9.547 -6.171 -1.749 1.00 . B B . 9 GLY HA3 1 1
20 10650 2 1 10 GLY N N 9.905 -7.041 -3.621 1.00 . B B . 9 GLY N 1 1
20 10651 2 1 10 GLY O O 7.348 -8.298 -2.872 1.00 . B B . 9 GLY O 1 1
20 10652 2 1 11 TYR C C 5.977 -4.058 -1.634 1.00 . B B . 10 TYR C 1 1
20 10653 2 1 11 TYR CA C 7.259 -4.862 -1.835 1.00 . B B . 10 TYR CA 1 1
20 10654 2 1 11 TYR CB C 8.188 -4.052 -2.758 1.00 . B B . 10 TYR CB 1 1
20 10655 2 1 11 TYR CD1 C 9.426 -3.002 -0.806 1.00 . B B . 10 TYR CD1 1 1
20 10656 2 1 11 TYR CD2 C 10.687 -3.756 -2.740 1.00 . B B . 10 TYR CD2 1 1
20 10657 2 1 11 TYR CE1 C 10.607 -2.583 -0.187 1.00 . B B . 10 TYR CE1 1 1
20 10658 2 1 11 TYR CE2 C 11.874 -3.338 -2.128 1.00 . B B . 10 TYR CE2 1 1
20 10659 2 1 11 TYR CG C 9.457 -3.580 -2.088 1.00 . B B . 10 TYR CG 1 1
20 10660 2 1 11 TYR CZ C 11.845 -2.731 -0.855 1.00 . B B . 10 TYR CZ 1 1
20 10661 2 1 11 TYR H H 6.036 -6.244 -2.772 1.00 . B B . 10 TYR H 1 1
20 10662 2 1 11 TYR HA H 7.741 -5.022 -0.873 1.00 . B B . 10 TYR HA 1 1
20 10663 2 1 11 TYR HB2 H 8.451 -4.635 -3.638 1.00 . B B . 10 TYR HB2 1 1
20 10664 2 1 11 TYR HB3 H 7.655 -3.182 -3.135 1.00 . B B . 10 TYR HB3 1 1
20 10665 2 1 11 TYR HD1 H 8.502 -2.883 -0.273 1.00 . B B . 10 TYR HD1 1 1
20 10666 2 1 11 TYR HD2 H 10.718 -4.220 -3.713 1.00 . B B . 10 TYR HD2 1 1
20 10667 2 1 11 TYR HE1 H 10.543 -2.169 0.802 1.00 . B B . 10 TYR HE1 1 1
20 10668 2 1 11 TYR HE2 H 12.809 -3.501 -2.628 1.00 . B B . 10 TYR HE2 1 1
20 10669 2 1 11 TYR HH H 12.873 -1.922 0.584 1.00 . B B . 10 TYR HH 1 1
20 10670 2 1 11 TYR N N 6.960 -6.164 -2.389 1.00 . B B . 10 TYR N 1 1
20 10671 2 1 11 TYR O O 5.013 -4.189 -2.384 1.00 . B B . 10 TYR O 1 1
20 10672 2 1 11 TYR OH O 13.010 -2.332 -0.275 1.00 . B B . 10 TYR OH 1 1
20 10673 2 1 12 GLU C C 6.508 -0.741 -0.413 1.00 . B B . 11 GLU C 1 1
20 10674 2 1 12 GLU CA C 5.519 -1.779 -0.955 1.00 . B B . 11 GLU CA 1 1
20 10675 2 1 12 GLU CB C 4.163 -1.674 -0.286 1.00 . B B . 11 GLU CB 1 1
20 10676 2 1 12 GLU CD C 2.289 -0.030 0.162 1.00 . B B . 11 GLU CD 1 1
20 10677 2 1 12 GLU CG C 3.484 -0.368 -0.707 1.00 . B B . 11 GLU CG 1 1
20 10678 2 1 12 GLU H H 6.777 -3.152 -0.017 1.00 . B B . 11 GLU H 1 1
20 10679 2 1 12 GLU HA H 5.388 -1.649 -2.027 1.00 . B B . 11 GLU HA 1 1
20 10680 2 1 12 GLU HB2 H 3.557 -2.522 -0.594 1.00 . B B . 11 GLU HB2 1 1
20 10681 2 1 12 GLU HB3 H 4.297 -1.718 0.797 1.00 . B B . 11 GLU HB3 1 1
20 10682 2 1 12 GLU HG2 H 4.190 0.459 -0.631 1.00 . B B . 11 GLU HG2 1 1
20 10683 2 1 12 GLU HG3 H 3.164 -0.440 -1.746 1.00 . B B . 11 GLU HG3 1 1
20 10684 2 1 12 GLU N N 6.057 -3.096 -0.718 1.00 . B B . 11 GLU N 1 1
20 10685 2 1 12 GLU O O 6.499 -0.427 0.775 1.00 . B B . 11 GLU O 1 1
20 10686 2 1 12 GLU OE1 O 1.918 -0.854 1.029 1.00 . B B . 11 GLU OE1 1 1
20 10687 2 1 12 GLU OE2 O 1.775 1.085 0.020 1.00 . B B . 11 GLU OE2 1 1
20 10688 2 1 13 VAL C C 8.050 1.890 -0.138 1.00 . B B . 12 VAL C 1 1
20 10689 2 1 13 VAL CA C 8.497 0.634 -0.892 1.00 . B B . 12 VAL CA 1 1
20 10690 2 1 13 VAL CB C 9.345 1.053 -2.107 1.00 . B B . 12 VAL CB 1 1
20 10691 2 1 13 VAL CG1 C 10.648 1.699 -1.604 1.00 . B B . 12 VAL CG1 1 1
20 10692 2 1 13 VAL CG2 C 9.740 -0.125 -3.008 1.00 . B B . 12 VAL CG2 1 1
20 10693 2 1 13 VAL H H 7.284 -0.438 -2.259 1.00 . B B . 12 VAL H 1 1
20 10694 2 1 13 VAL HA H 9.123 0.027 -0.253 1.00 . B B . 12 VAL HA 1 1
20 10695 2 1 13 VAL HB H 8.781 1.775 -2.701 1.00 . B B . 12 VAL HB 1 1
20 10696 2 1 13 VAL HG11 H 11.200 2.125 -2.430 1.00 . B B . 12 VAL HG11 1 1
20 10697 2 1 13 VAL HG12 H 10.468 2.519 -0.924 1.00 . B B . 12 VAL HG12 1 1
20 10698 2 1 13 VAL HG13 H 11.254 0.959 -1.082 1.00 . B B . 12 VAL HG13 1 1
20 10699 2 1 13 VAL HG21 H 10.377 -0.816 -2.462 1.00 . B B . 12 VAL HG21 1 1
20 10700 2 1 13 VAL HG22 H 8.862 -0.652 -3.373 1.00 . B B . 12 VAL HG22 1 1
20 10701 2 1 13 VAL HG23 H 10.284 0.253 -3.868 1.00 . B B . 12 VAL HG23 1 1
20 10702 2 1 13 VAL N N 7.363 -0.197 -1.284 1.00 . B B . 12 VAL N 1 1
20 10703 2 1 13 VAL O O 8.766 2.374 0.734 1.00 . B B . 12 VAL O 1 1
20 10704 2 1 14 HIS C C 6.335 3.955 1.426 1.00 . B B . 13 HIS C 1 1
20 10705 2 1 14 HIS CA C 6.458 3.755 -0.088 1.00 . B B . 13 HIS CA 1 1
20 10706 2 1 14 HIS CB C 5.143 4.081 -0.795 1.00 . B B . 13 HIS CB 1 1
20 10707 2 1 14 HIS CD2 C 5.125 2.888 -3.066 1.00 . B B . 13 HIS CD2 1 1
20 10708 2 1 14 HIS CE1 C 5.741 4.538 -4.368 1.00 . B B . 13 HIS CE1 1 1
20 10709 2 1 14 HIS CG C 5.267 4.005 -2.291 1.00 . B B . 13 HIS CG 1 1
20 10710 2 1 14 HIS H H 6.314 1.951 -1.175 1.00 . B B . 13 HIS H 1 1
20 10711 2 1 14 HIS HA H 7.227 4.435 -0.454 1.00 . B B . 13 HIS HA 1 1
20 10712 2 1 14 HIS HB2 H 4.378 3.382 -0.458 1.00 . B B . 13 HIS HB2 1 1
20 10713 2 1 14 HIS HB3 H 4.834 5.090 -0.528 1.00 . B B . 13 HIS HB3 1 1
20 10714 2 1 14 HIS HD1 H 5.859 5.976 -2.845 1.00 . B B . 13 HIS HD1 1 1
20 10715 2 1 14 HIS HD2 H 4.849 1.902 -2.718 1.00 . B B . 13 HIS HD2 1 1
20 10716 2 1 14 HIS HE1 H 6.014 5.114 -5.240 1.00 . B B . 13 HIS HE1 1 1
20 10717 2 1 14 HIS N N 6.871 2.418 -0.475 1.00 . B B . 13 HIS N 1 1
20 10718 2 1 14 HIS ND1 N 5.656 5.027 -3.123 1.00 . B B . 13 HIS ND1 1 1
20 10719 2 1 14 HIS NE2 N 5.443 3.233 -4.379 1.00 . B B . 13 HIS NE2 1 1
20 10720 2 1 14 HIS O O 6.297 5.098 1.866 1.00 . B B . 13 HIS O 1 1
20 10721 2 1 15 HIS C C 7.620 2.896 4.385 1.00 . B B . 14 HIS C 1 1
20 10722 2 1 15 HIS CA C 6.259 3.001 3.685 1.00 . B B . 14 HIS CA 1 1
20 10723 2 1 15 HIS CB C 5.289 1.968 4.255 1.00 . B B . 14 HIS CB 1 1
20 10724 2 1 15 HIS CD2 C 3.066 1.246 3.224 1.00 . B B . 14 HIS CD2 1 1
20 10725 2 1 15 HIS CE1 C 1.963 3.133 3.296 1.00 . B B . 14 HIS CE1 1 1
20 10726 2 1 15 HIS CG C 3.876 2.181 3.797 1.00 . B B . 14 HIS CG 1 1
20 10727 2 1 15 HIS H H 6.349 1.959 1.823 1.00 . B B . 14 HIS H 1 1
20 10728 2 1 15 HIS HA H 5.855 3.982 3.935 1.00 . B B . 14 HIS HA 1 1
20 10729 2 1 15 HIS HB2 H 5.626 0.965 3.985 1.00 . B B . 14 HIS HB2 1 1
20 10730 2 1 15 HIS HB3 H 5.288 2.049 5.340 1.00 . B B . 14 HIS HB3 1 1
20 10731 2 1 15 HIS HD1 H 3.509 4.251 4.168 1.00 . B B . 14 HIS HD1 1 1
20 10732 2 1 15 HIS HD2 H 3.341 0.220 3.029 1.00 . B B . 14 HIS HD2 1 1
20 10733 2 1 15 HIS HE1 H 1.199 3.880 3.157 1.00 . B B . 14 HIS HE1 1 1
20 10734 2 1 15 HIS N N 6.308 2.884 2.233 1.00 . B B . 14 HIS N 1 1
20 10735 2 1 15 HIS ND1 N 3.167 3.358 3.841 1.00 . B B . 14 HIS ND1 1 1
20 10736 2 1 15 HIS NE2 N 1.847 1.855 2.916 1.00 . B B . 14 HIS NE2 1 1
20 10737 2 1 15 HIS O O 7.661 3.184 5.574 1.00 . B B . 14 HIS O 1 1
20 10738 2 1 16 GLN C C 10.888 3.683 4.089 1.00 . B B . 15 GLN C 1 1
20 10739 2 1 16 GLN CA C 10.040 2.435 4.347 1.00 . B B . 15 GLN CA 1 1
20 10740 2 1 16 GLN CB C 10.790 1.178 3.895 1.00 . B B . 15 GLN CB 1 1
20 10741 2 1 16 GLN CD C 12.341 0.248 2.162 1.00 . B B . 15 GLN CD 1 1
20 10742 2 1 16 GLN CG C 11.146 1.151 2.405 1.00 . B B . 15 GLN CG 1 1
20 10743 2 1 16 GLN H H 8.663 2.272 2.747 1.00 . B B . 15 GLN H 1 1
20 10744 2 1 16 GLN HA H 9.906 2.344 5.421 1.00 . B B . 15 GLN HA 1 1
20 10745 2 1 16 GLN HB2 H 11.706 1.111 4.481 1.00 . B B . 15 GLN HB2 1 1
20 10746 2 1 16 GLN HB3 H 10.192 0.300 4.124 1.00 . B B . 15 GLN HB3 1 1
20 10747 2 1 16 GLN HE21 H 13.655 1.789 2.310 1.00 . B B . 15 GLN HE21 1 1
20 10748 2 1 16 GLN HE22 H 14.353 0.219 1.995 1.00 . B B . 15 GLN HE22 1 1
20 10749 2 1 16 GLN HG2 H 10.298 0.765 1.844 1.00 . B B . 15 GLN HG2 1 1
20 10750 2 1 16 GLN HG3 H 11.387 2.149 2.040 1.00 . B B . 15 GLN HG3 1 1
20 10751 2 1 16 GLN N N 8.720 2.509 3.723 1.00 . B B . 15 GLN N 1 1
20 10752 2 1 16 GLN NE2 N 13.546 0.798 2.158 1.00 . B B . 15 GLN NE2 1 1
20 10753 2 1 16 GLN O O 10.605 4.455 3.179 1.00 . B B . 15 GLN O 1 1
20 10754 2 1 16 GLN OE1 O 12.193 -0.953 2.010 1.00 . B B . 15 GLN OE1 1 1
20 10755 2 1 17 LYS C C 13.979 4.517 3.629 1.00 . B B . 16 LYS C 1 1
20 10756 2 1 17 LYS CA C 12.992 4.854 4.744 1.00 . B B . 16 LYS CA 1 1
20 10757 2 1 17 LYS CB C 13.757 4.999 6.067 1.00 . B B . 16 LYS CB 1 1
20 10758 2 1 17 LYS CD C 13.625 5.746 8.489 1.00 . B B . 16 LYS CD 1 1
20 10759 2 1 17 LYS CE C 14.527 6.972 8.363 1.00 . B B . 16 LYS CE 1 1
20 10760 2 1 17 LYS CG C 12.845 5.481 7.202 1.00 . B B . 16 LYS CG 1 1
20 10761 2 1 17 LYS H H 12.143 3.101 5.549 1.00 . B B . 16 LYS H 1 1
20 10762 2 1 17 LYS HA H 12.516 5.808 4.516 1.00 . B B . 16 LYS HA 1 1
20 10763 2 1 17 LYS HB2 H 14.206 4.042 6.339 1.00 . B B . 16 LYS HB2 1 1
20 10764 2 1 17 LYS HB3 H 14.562 5.721 5.922 1.00 . B B . 16 LYS HB3 1 1
20 10765 2 1 17 LYS HD2 H 12.908 5.910 9.292 1.00 . B B . 16 LYS HD2 1 1
20 10766 2 1 17 LYS HD3 H 14.237 4.877 8.734 1.00 . B B . 16 LYS HD3 1 1
20 10767 2 1 17 LYS HE2 H 15.295 6.781 7.612 1.00 . B B . 16 LYS HE2 1 1
20 10768 2 1 17 LYS HE3 H 13.934 7.834 8.059 1.00 . B B . 16 LYS HE3 1 1
20 10769 2 1 17 LYS HG2 H 12.337 6.395 6.903 1.00 . B B . 16 LYS HG2 1 1
20 10770 2 1 17 LYS HG3 H 12.086 4.730 7.408 1.00 . B B . 16 LYS HG3 1 1
20 10771 2 1 17 LYS HZ1 H 15.714 6.454 9.935 1.00 . B B . 16 LYS HZ1 1 1
20 10772 2 1 17 LYS HZ2 H 15.798 8.049 9.551 1.00 . B B . 16 LYS HZ2 1 1
20 10773 2 1 17 LYS HZ3 H 14.480 7.456 10.351 1.00 . B B . 16 LYS HZ3 1 1
20 10774 2 1 17 LYS N N 11.970 3.819 4.862 1.00 . B B . 16 LYS N 1 1
20 10775 2 1 17 LYS NZ N 15.174 7.261 9.647 1.00 . B B . 16 LYS NZ 1 1
20 10776 2 1 17 LYS O O 14.170 3.362 3.267 1.00 . B B . 16 LYS O 1 1
20 10777 2 1 18 NH2 HN1 H 15.348 5.351 2.392 1.00 . B B . 17 NH2 HN1 1 1
20 10778 2 1 18 NH2 HN2 H 14.518 6.467 3.455 1.00 . B B . 17 NH2 HN2 1 1
20 10779 2 1 18 NH2 N N 14.654 5.530 3.105 1.00 . B B . 17 NH2 N 1 1
20 10780 3 2 1 ZN ZN ZN 0.711 0.555 1.767 1.00 . C A . 101 ZN ZN 1 1
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