NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
584389 |
2mix   |
19697 | cing | 4-filtered-FRED | STAR | entry | full | 230 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2mix
# This FRED archive file contains, for PDB entry <2mix>:
#
# - 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_2mix
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2mix
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 2311.62
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 $venom_peptide_toxin A . 1 1
stop_
save_
save_venom_peptide_toxin
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "venom peptide toxin"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code TRICCGCYWNGSKDVCSQSCC
_Entity.Number_of_monomers 21
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 THR . 1 1
2 ARG . 1 1
3 ILE . 1 1
4 CYS . 1 1
5 CYS . 1 1
6 GLY . 1 1
7 CYS . 1 1
8 TYR . 1 1
9 TRP . 1 1
10 ASN . 1 1
11 GLY . 1 1
12 SER . 1 1
13 LYS . 1 1
14 ASP . 1 1
15 VAL . 1 1
16 CYS . 1 1
17 SER . 1 1
18 GLN . 1 1
19 SER . 1 1
20 CYS . 1 1
21 CYS . 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
THR 1 1 1 1
ARG 2 2 1 1
ILE 3 3 1 1
CYS 4 4 1 1
CYS 5 5 1 1
GLY 6 6 1 1
CYS 7 7 1 1
TYR 8 8 1 1
TRP 9 9 1 1
ASN 10 10 1 1
GLY 11 11 1 1
SER 12 12 1 1
LYS 13 13 1 1
ASP 14 14 1 1
VAL 15 15 1 1
CYS 16 16 1 1
SER 17 17 1 1
GLN 18 18 1 1
SER 19 19 1 1
CYS 20 20 1 1
CYS 21 21 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 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
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 1 THR HA A 1 . HA 1 1
1 1 2 1 1 1 THR HB A 1 . HB 1 1
2 1 1 1 1 1 THR HA A 1 . HA 1 1
2 1 2 1 1 1 THR HG1 A 1 . HG1 1 1
3 1 1 1 1 2 ARG H A 2 . HN 1 1
3 1 2 1 1 2 ARG HB3 A 2 . HB2 1 1
4 1 1 1 1 2 ARG H A 2 . HN 1 1
4 1 2 1 1 2 ARG QD A 2 . HD1 1 1
5 1 1 1 1 2 ARG H A 2 . HN 1 1
5 1 2 1 1 2 ARG QG A 2 . HG2 1 1
6 1 1 1 1 2 ARG HA A 2 . HA 1 1
6 1 2 1 1 2 ARG HB3 A 2 . HB2 1 1
7 1 1 1 1 2 ARG HA A 2 . HA 1 1
7 1 2 1 1 2 ARG QD A 2 . HD1 1 1
8 1 1 1 1 2 ARG HA A 2 . HA 1 1
8 1 2 1 1 2 ARG QG A 2 . HG1 1 1
9 1 1 1 1 2 ARG HA A 2 . HA 1 1
9 1 2 1 1 3 ILE H A 3 . HN 1 1
10 1 1 1 1 2 ARG HB3 A 2 . HB2 1 1
10 1 2 1 1 2 ARG QD A 2 . HD1 1 1
11 1 1 1 1 2 ARG HB3 A 2 . HB2 1 1
11 1 2 1 1 2 ARG QG A 2 . HG2 1 1
12 1 1 1 1 2 ARG QD A 2 . HD1 1 1
12 1 2 1 1 2 ARG QG A 2 . HG1 1 1
13 1 1 1 1 2 ARG QD A 2 . HD1 1 1
13 1 2 1 1 19 SER HA A 19 . HA 1 1
14 1 1 1 1 2 ARG QG A 2 . HG1 1 1
14 1 2 1 1 4 CYS H A 4 . HN 1 1
15 1 1 1 1 2 ARG QG A 2 . HG1 1 1
15 1 2 1 1 19 SER HA A 19 . HA 1 1
16 1 1 1 1 3 ILE H A 3 . HN 1 1
16 1 2 1 1 3 ILE HA A 3 . HA 1 1
17 1 1 1 1 3 ILE H A 3 . HN 1 1
17 1 2 1 1 3 ILE HB A 3 . HB 1 1
18 1 1 1 1 3 ILE H A 3 . HN 1 1
18 1 2 1 1 3 ILE MD A 3 . HD11 1 1
19 1 1 1 1 3 ILE H A 3 . HN 1 1
19 1 2 1 1 3 ILE HG12 A 3 . HG12 1 1
20 1 1 1 1 3 ILE H A 3 . HN 1 1
20 1 2 1 1 3 ILE HG13 A 3 . HG11 1 1
21 1 1 1 1 3 ILE H A 3 . HN 1 1
21 1 2 1 1 3 ILE MG A 3 . HG21 1 1
22 1 1 1 1 3 ILE H A 3 . HN 1 1
22 1 2 1 1 4 CYS H A 4 . HN 1 1
23 1 1 1 1 3 ILE HA A 3 . HA 1 1
23 1 2 1 1 3 ILE HB A 3 . HB 1 1
24 1 1 1 1 3 ILE HA A 3 . HA 1 1
24 1 2 1 1 3 ILE HG12 A 3 . HG12 1 1
25 1 1 1 1 3 ILE HA A 3 . HA 1 1
25 1 2 1 1 3 ILE HG13 A 3 . HG11 1 1
26 1 1 1 1 3 ILE HA A 3 . HA 1 1
26 1 2 1 1 3 ILE MG A 3 . HG21 1 1
27 1 1 1 1 3 ILE HA A 3 . HA 1 1
27 1 2 1 1 4 CYS H A 4 . HN 1 1
28 1 1 1 1 3 ILE HA A 3 . HA 1 1
28 1 2 1 1 8 TYR QD A 8 . HD1 1 1
29 1 1 1 1 3 ILE HA A 3 . HA 1 1
29 1 2 1 1 8 TYR QE A 8 . HE1 1 1
30 1 1 1 1 3 ILE HB A 3 . HB 1 1
30 1 2 1 1 3 ILE MD A 3 . HD11 1 1
31 1 1 1 1 3 ILE HB A 3 . HB 1 1
31 1 2 1 1 3 ILE HG12 A 3 . HG12 1 1
32 1 1 1 1 3 ILE HB A 3 . HB 1 1
32 1 2 1 1 3 ILE HG13 A 3 . HG11 1 1
33 1 1 1 1 3 ILE HB A 3 . HB 1 1
33 1 2 1 1 3 ILE MG A 3 . HG21 1 1
34 1 1 1 1 3 ILE HB A 3 . HB 1 1
34 1 2 1 1 8 TYR QD A 8 . HD1 1 1
35 1 1 1 1 3 ILE HB A 3 . HB 1 1
35 1 2 1 1 8 TYR QE A 8 . HE1 1 1
36 1 1 1 1 3 ILE MD A 3 . HD11 1 1
36 1 2 1 1 3 ILE HG12 A 3 . HG12 1 1
37 1 1 1 1 3 ILE MD A 3 . HD11 1 1
37 1 2 1 1 3 ILE MG A 3 . HG21 1 1
38 1 1 1 1 3 ILE MD A 3 . HD11 1 1
38 1 2 1 1 8 TYR QD A 8 . HD1 1 1
39 1 1 1 1 3 ILE MD A 3 . HD11 1 1
39 1 2 1 1 8 TYR QE A 8 . HE1 1 1
40 1 1 1 1 3 ILE MD A 3 . HD11 1 1
40 1 2 1 1 10 ASN H A 10 . HN 1 1
41 1 1 1 1 3 ILE HG12 A 3 . HG12 1 1
41 1 2 1 1 3 ILE MG A 3 . HG21 1 1
42 1 1 1 1 3 ILE HG12 A 3 . HG12 1 1
42 1 2 1 1 4 CYS H A 4 . HN 1 1
43 1 1 1 1 3 ILE HG12 A 3 . HG12 1 1
43 1 2 1 1 8 TYR QD A 8 . HD1 1 1
44 1 1 1 1 3 ILE HG13 A 3 . HG11 1 1
44 1 2 1 1 3 ILE MG A 3 . HG21 1 1
45 1 1 1 1 3 ILE HG13 A 3 . HG11 1 1
45 1 2 1 1 4 CYS H A 4 . HN 1 1
46 1 1 1 1 3 ILE HG13 A 3 . HG11 1 1
46 1 2 1 1 8 TYR QD A 8 . HD1 1 1
47 1 1 1 1 3 ILE HG13 A 3 . HG11 1 1
47 1 2 1 1 8 TYR QE A 8 . HE1 1 1
48 1 1 1 1 3 ILE HG13 A 3 . HG11 1 1
48 1 2 1 1 9 TRP H A 9 . HN 1 1
49 1 1 1 1 3 ILE MG A 3 . HG21 1 1
49 1 2 1 1 4 CYS H A 4 . HN 1 1
50 1 1 1 1 3 ILE MG A 3 . HG21 1 1
50 1 2 1 1 8 TYR QD A 8 . HD1 1 1
51 1 1 1 1 4 CYS H A 4 . HN 1 1
51 1 2 1 1 4 CYS QB A 4 . HB1 1 1
52 1 1 1 1 4 CYS HA A 4 . HA 1 1
52 1 2 1 1 4 CYS QB A 4 . HB1 1 1
53 1 1 1 1 4 CYS QB A 4 . HB2 1 1
53 1 2 1 1 5 CYS H A 5 . HN 1 1
54 1 1 1 1 4 CYS QB A 4 . HB2 1 1
54 1 2 1 1 5 CYS HB2 A 5 . HB1 1 1
55 1 1 1 1 5 CYS H A 5 . HN 1 1
55 1 2 1 1 5 CYS HA A 5 . HA 1 1
56 1 1 1 1 5 CYS H A 5 . HN 1 1
56 1 2 1 1 5 CYS HB2 A 5 . HB1 1 1
57 1 1 1 1 5 CYS H A 5 . HN 1 1
57 1 2 1 1 18 GLN HA A 18 . HA 1 1
58 1 1 1 1 5 CYS H A 5 . HN 1 1
58 1 2 1 1 19 SER H A 19 . HN 1 1
59 1 1 1 1 5 CYS H A 5 . HN 1 1
59 1 2 1 1 19 SER HB2 A 19 . HB1 1 1
60 1 1 1 1 5 CYS H A 5 . HN 1 1
60 1 2 1 1 20 CYS H A 20 . HN 1 1
61 1 1 1 1 5 CYS H A 5 . HN 1 1
61 1 2 1 1 20 CYS HA A 20 . HA 1 1
62 1 1 1 1 5 CYS HA A 5 . HA 1 1
62 1 2 1 1 5 CYS HB2 A 5 . HB1 1 1
63 1 1 1 1 5 CYS HA A 5 . HA 1 1
63 1 2 1 1 5 CYS HB3 A 5 . HB2 1 1
64 1 1 1 1 5 CYS HA A 5 . HA 1 1
64 1 2 1 1 20 CYS H A 20 . HN 1 1
65 1 1 1 1 6 GLY H A 6 . HN 1 1
65 1 2 1 1 6 GLY HA2 A 6 . HA1 1 1
66 1 1 1 1 6 GLY H A 6 . HN 1 1
66 1 2 1 1 6 GLY HA3 A 6 . HA2 1 1
67 1 1 1 1 6 GLY H A 6 . HN 1 1
67 1 2 1 1 16 CYS HA A 16 . HA 1 1
68 1 1 1 1 6 GLY H A 6 . HN 1 1
68 1 2 1 1 17 SER H A 17 . HN 1 1
69 1 1 1 1 6 GLY H A 6 . HN 1 1
69 1 2 1 1 18 GLN HA A 18 . HA 1 1
70 1 1 1 1 6 GLY HA2 A 6 . HA1 1 1
70 1 2 1 1 7 CYS H A 7 . HN 1 1
71 1 1 1 1 6 GLY HA3 A 6 . HA2 1 1
71 1 2 1 1 7 CYS H A 7 . HN 1 1
72 1 1 1 1 7 CYS H A 7 . HN 1 1
72 1 2 1 1 7 CYS HA A 7 . HA 1 1
73 1 1 1 1 7 CYS H A 7 . HN 1 1
73 1 2 1 1 7 CYS HB2 A 7 . HB2 1 1
74 1 1 1 1 7 CYS H A 7 . HN 1 1
74 1 2 1 1 7 CYS HB3 A 7 . HB1 1 1
75 1 1 1 1 7 CYS HA A 7 . HA 1 1
75 1 2 1 1 7 CYS HB2 A 7 . HB2 1 1
76 1 1 1 1 7 CYS HA A 7 . HA 1 1
76 1 2 1 1 7 CYS HB3 A 7 . HB1 1 1
77 1 1 1 1 7 CYS HA A 7 . HA 1 1
77 1 2 1 1 8 TYR H A 8 . HN 1 1
78 1 1 1 1 7 CYS HA A 7 . HA 1 1
78 1 2 1 1 8 TYR QD A 8 . HD1 1 1
79 1 1 1 1 7 CYS HA A 7 . HA 1 1
79 1 2 1 1 16 CYS H A 16 . HN 1 1
80 1 1 1 1 7 CYS HA A 7 . HA 1 1
80 1 2 1 1 16 CYS HA A 16 . HA 1 1
81 1 1 1 1 7 CYS HA A 7 . HA 1 1
81 1 2 1 1 16 CYS HB3 A 16 . HB2 1 1
82 1 1 1 1 7 CYS HA A 7 . HA 1 1
82 1 2 1 1 17 SER H A 17 . HN 1 1
83 1 1 1 1 7 CYS HB2 A 7 . HB2 1 1
83 1 2 1 1 16 CYS HA A 16 . HA 1 1
84 1 1 1 1 7 CYS HB3 A 7 . HB1 1 1
84 1 2 1 1 8 TYR H A 8 . HN 1 1
85 1 1 1 1 7 CYS HB3 A 7 . HB1 1 1
85 1 2 1 1 16 CYS HA A 16 . HA 1 1
86 1 1 1 1 8 TYR H A 8 . HN 1 1
86 1 2 1 1 8 TYR HB2 A 8 . HB1 1 1
87 1 1 1 1 8 TYR H A 8 . HN 1 1
87 1 2 1 1 8 TYR QD A 8 . HD1 1 1
88 1 1 1 1 8 TYR H A 8 . HN 1 1
88 1 2 1 1 8 TYR QE A 8 . HE1 1 1
89 1 1 1 1 8 TYR H A 8 . HN 1 1
89 1 2 1 1 15 VAL H A 15 . HN 1 1
90 1 1 1 1 8 TYR H A 8 . HN 1 1
90 1 2 1 1 16 CYS HA A 16 . HA 1 1
91 1 1 1 1 8 TYR HB2 A 8 . HB1 1 1
91 1 2 1 1 8 TYR QD A 8 . HD1 1 1
92 1 1 1 1 8 TYR HB2 A 8 . HB1 1 1
92 1 2 1 1 8 TYR QE A 8 . HE1 1 1
93 1 1 1 1 8 TYR HB2 A 8 . HB1 1 1
93 1 2 1 1 9 TRP H A 9 . HN 1 1
94 1 1 1 1 8 TYR QD A 8 . HD1 1 1
94 1 2 1 1 9 TRP H A 9 . HN 1 1
95 1 1 1 1 8 TYR QD A 8 . HD1 1 1
95 1 2 1 1 10 ASN HB3 A 10 . HB2 1 1
96 1 1 1 1 8 TYR QD A 8 . HD1 1 1
96 1 2 1 1 15 VAL HB A 15 . HB 1 1
97 1 1 1 1 8 TYR QD A 8 . HD1 1 1
97 1 2 1 1 15 VAL QG A 15 . HG11 1 1
98 1 1 1 1 8 TYR QE A 8 . HE1 1 1
98 1 2 1 1 10 ASN HB3 A 10 . HB2 1 1
99 1 1 1 1 8 TYR QE A 8 . HE1 1 1
99 1 2 1 1 15 VAL HB A 15 . HB 1 1
100 1 1 1 1 8 TYR QE A 8 . HE1 1 1
100 1 2 1 1 15 VAL QG A 15 . HG11 1 1
101 1 1 1 1 9 TRP H A 9 . HN 1 1
101 1 2 1 1 9 TRP HB2 A 9 . HB2 1 1
102 1 1 1 1 9 TRP H A 9 . HN 1 1
102 1 2 1 1 9 TRP HB3 A 9 . HB1 1 1
103 1 1 1 1 9 TRP H A 9 . HN 1 1
103 1 2 1 1 9 TRP HD1 A 9 . HD1 1 1
104 1 1 1 1 9 TRP HA A 9 . HA 1 1
104 1 2 1 1 9 TRP HB2 A 9 . HB2 1 1
105 1 1 1 1 9 TRP HA A 9 . HA 1 1
105 1 2 1 1 9 TRP HE3 A 9 . HE3 1 1
106 1 1 1 1 9 TRP HA A 9 . HA 1 1
106 1 2 1 1 10 ASN H A 10 . HN 1 1
107 1 1 1 1 9 TRP HB2 A 9 . HB2 1 1
107 1 2 1 1 9 TRP HD1 A 9 . HD1 1 1
108 1 1 1 1 9 TRP HB2 A 9 . HB2 1 1
108 1 2 1 1 9 TRP HE3 A 9 . HE3 1 1
109 1 1 1 1 9 TRP HB3 A 9 . HB1 1 1
109 1 2 1 1 9 TRP HD1 A 9 . HD1 1 1
110 1 1 1 1 9 TRP HB3 A 9 . HB1 1 1
110 1 2 1 1 9 TRP HE3 A 9 . HE3 1 1
111 1 1 1 1 9 TRP HD1 A 9 . HD1 1 1
111 1 2 1 1 11 GLY H A 11 . HN 1 1
112 1 1 1 1 9 TRP HD1 A 9 . HD1 1 1
112 1 2 1 1 11 GLY HA2 A 11 . HA1 1 1
113 1 1 1 1 9 TRP HD1 A 9 . HD1 1 1
113 1 2 1 1 11 GLY HA3 A 11 . HA2 1 1
114 1 1 1 1 9 TRP HE1 A 9 . HE1 1 1
114 1 2 1 1 11 GLY H A 11 . HN 1 1
115 1 1 1 1 9 TRP HE1 A 9 . HE1 1 1
115 1 2 1 1 11 GLY HA2 A 11 . HA1 1 1
116 1 1 1 1 9 TRP HE1 A 9 . HE1 1 1
116 1 2 1 1 11 GLY HA3 A 11 . HA2 1 1
117 1 1 1 1 9 TRP HE3 A 9 . HE3 1 1
117 1 2 1 1 13 LYS HA A 13 . HA 1 1
118 1 1 1 1 9 TRP HE3 A 9 . HE3 1 1
118 1 2 1 1 14 ASP H A 14 . HN 1 1
119 1 1 1 1 9 TRP HH2 A 9 . HH2 1 1
119 1 2 1 1 9 TRP HZ3 A 9 . HZ3 1 1
120 1 1 1 1 9 TRP HH2 A 9 . HH2 1 1
120 1 2 1 1 13 LYS HA A 13 . HA 1 1
121 1 1 1 1 9 TRP HZ2 A 9 . HZ2 1 1
121 1 2 1 1 12 SER HA A 12 . HA 1 1
122 1 1 1 1 9 TRP HZ2 A 9 . HZ2 1 1
122 1 2 1 1 13 LYS HA A 13 . HA 1 1
123 1 1 1 1 9 TRP HZ3 A 9 . HZ3 1 1
123 1 2 1 1 13 LYS HA A 13 . HA 1 1
124 1 1 1 1 9 TRP HZ3 A 9 . HZ3 1 1
124 1 2 1 1 14 ASP H A 14 . HN 1 1
125 1 1 1 1 10 ASN H A 10 . HN 1 1
125 1 2 1 1 10 ASN HB2 A 10 . HB1 1 1
126 1 1 1 1 10 ASN H A 10 . HN 1 1
126 1 2 1 1 10 ASN HB3 A 10 . HB2 1 1
127 1 1 1 1 10 ASN HA A 10 . HA 1 1
127 1 2 1 1 10 ASN HB2 A 10 . HB1 1 1
128 1 1 1 1 10 ASN HA A 10 . HA 1 1
128 1 2 1 1 10 ASN HB3 A 10 . HB2 1 1
129 1 1 1 1 10 ASN HB3 A 10 . HB2 1 1
129 1 2 1 1 15 VAL QG A 15 . HG21 1 1
130 1 1 1 1 11 GLY H A 11 . HN 1 1
130 1 2 1 1 11 GLY HA2 A 11 . HA1 1 1
131 1 1 1 1 11 GLY HA2 A 11 . HA1 1 1
131 1 2 1 1 12 SER H A 12 . HN 1 1
132 1 1 1 1 11 GLY HA3 A 11 . HA2 1 1
132 1 2 1 1 12 SER H A 12 . HN 1 1
133 1 1 1 1 12 SER H A 12 . HN 1 1
133 1 2 1 1 12 SER HA A 12 . HA 1 1
134 1 1 1 1 12 SER H A 12 . HN 1 1
134 1 2 1 1 12 SER HB3 A 12 . HB2 1 1
135 1 1 1 1 12 SER H A 12 . HN 1 1
135 1 2 1 1 13 LYS H A 13 . HN 1 1
136 1 1 1 1 12 SER HA A 12 . HA 1 1
136 1 2 1 1 12 SER HB3 A 12 . HB2 1 1
137 1 1 1 1 13 LYS HA A 13 . HA 1 1
137 1 2 1 1 13 LYS QB A 13 . HB1 1 1
138 1 1 1 1 13 LYS HA A 13 . HA 1 1
138 1 2 1 1 13 LYS QD A 13 . HD1 1 1
139 1 1 1 1 13 LYS HA A 13 . HA 1 1
139 1 2 1 1 13 LYS HG3 A 13 . HG2 1 1
140 1 1 1 1 13 LYS HA A 13 . HA 1 1
140 1 2 1 1 14 ASP H A 14 . HN 1 1
141 1 1 1 1 13 LYS QB A 13 . HB1 1 1
141 1 2 1 1 13 LYS QD A 13 . HD1 1 1
142 1 1 1 1 13 LYS QB A 13 . HB2 1 1
142 1 2 1 1 13 LYS HE2 A 13 . HE1 1 1
143 1 1 1 1 13 LYS QB A 13 . HB1 1 1
143 1 2 1 1 13 LYS HG3 A 13 . HG2 1 1
144 1 1 1 1 13 LYS QB A 13 . HB1 1 1
144 1 2 1 1 14 ASP H A 14 . HN 1 1
145 1 1 1 1 13 LYS QB A 13 . HB2 1 1
145 1 2 1 1 16 CYS H A 16 . HN 1 1
146 1 1 1 1 13 LYS QD A 13 . HD1 1 1
146 1 2 1 1 13 LYS HE2 A 13 . HE1 1 1
147 1 1 1 1 13 LYS QD A 13 . HD1 1 1
147 1 2 1 1 13 LYS HG3 A 13 . HG2 1 1
148 1 1 1 1 13 LYS HE2 A 13 . HE1 1 1
148 1 2 1 1 13 LYS HG3 A 13 . HG2 1 1
149 1 1 1 1 13 LYS HE2 A 13 . HE1 1 1
149 1 2 1 1 15 VAL QG A 15 . HG21 1 1
150 1 1 1 1 14 ASP H A 14 . HN 1 1
150 1 2 1 1 14 ASP HB2 A 14 . HB1 1 1
151 1 1 1 1 14 ASP H A 14 . HN 1 1
151 1 2 1 1 14 ASP HB3 A 14 . HB2 1 1
152 1 1 1 1 14 ASP HA A 14 . HA 1 1
152 1 2 1 1 14 ASP HB3 A 14 . HB2 1 1
153 1 1 1 1 14 ASP HA A 14 . HA 1 1
153 1 2 1 1 15 VAL H A 15 . HN 1 1
154 1 1 1 1 14 ASP HB3 A 14 . HB2 1 1
154 1 2 1 1 15 VAL H A 15 . HN 1 1
155 1 1 1 1 15 VAL H A 15 . HN 1 1
155 1 2 1 1 15 VAL HA A 15 . HA 1 1
156 1 1 1 1 15 VAL H A 15 . HN 1 1
156 1 2 1 1 15 VAL HB A 15 . HB 1 1
157 1 1 1 1 15 VAL H A 15 . HN 1 1
157 1 2 1 1 15 VAL QG A 15 . HG11 1 1
158 1 1 1 1 15 VAL H A 15 . HN 1 1
158 1 2 1 1 16 CYS H A 16 . HN 1 1
159 1 1 1 1 15 VAL HA A 15 . HA 1 1
159 1 2 1 1 15 VAL HB A 15 . HB 1 1
160 1 1 1 1 15 VAL HA A 15 . HA 1 1
160 1 2 1 1 15 VAL QG A 15 . HG11 1 1
161 1 1 1 1 15 VAL HA A 15 . HA 1 1
161 1 2 1 1 16 CYS H A 16 . HN 1 1
162 1 1 1 1 15 VAL HB A 15 . HB 1 1
162 1 2 1 1 15 VAL QG A 15 . HG11 1 1
163 1 1 1 1 15 VAL HB A 15 . HB 1 1
163 1 2 1 1 16 CYS H A 16 . HN 1 1
164 1 1 1 1 15 VAL MG1 A 15 . HG11 1 1
164 1 2 1 1 15 VAL MG2 A 15 . HG21 1 1
165 1 1 1 1 15 VAL QG A 15 . HG21 1 1
165 1 2 1 1 16 CYS H A 16 . HN 1 1
166 1 1 1 1 16 CYS H A 16 . HN 1 1
166 1 2 1 1 16 CYS HA A 16 . HA 1 1
167 1 1 1 1 16 CYS H A 16 . HN 1 1
167 1 2 1 1 16 CYS HB3 A 16 . HB2 1 1
168 1 1 1 1 16 CYS HA A 16 . HA 1 1
168 1 2 1 1 16 CYS HB3 A 16 . HB2 1 1
169 1 1 1 1 16 CYS HA A 16 . HA 1 1
169 1 2 1 1 17 SER H A 17 . HN 1 1
170 1 1 1 1 16 CYS HB3 A 16 . HB2 1 1
170 1 2 1 1 17 SER H A 17 . HN 1 1
171 1 1 1 1 17 SER H A 17 . HN 1 1
171 1 2 1 1 17 SER HA A 17 . HA 1 1
172 1 1 1 1 17 SER H A 17 . HN 1 1
172 1 2 1 1 17 SER HB2 A 17 . HB1 1 1
173 1 1 1 1 17 SER H A 17 . HN 1 1
173 1 2 1 1 17 SER HB3 A 17 . HB2 1 1
174 1 1 1 1 17 SER HA A 17 . HA 1 1
174 1 2 1 1 17 SER HB2 A 17 . HB1 1 1
175 1 1 1 1 17 SER HA A 17 . HA 1 1
175 1 2 1 1 17 SER HB3 A 17 . HB2 1 1
176 1 1 1 1 17 SER HA A 17 . HA 1 1
176 1 2 1 1 18 GLN H A 18 . HN 1 1
177 1 1 1 1 18 GLN H A 18 . HN 1 1
177 1 2 1 1 18 GLN HA A 18 . HA 1 1
178 1 1 1 1 18 GLN H A 18 . HN 1 1
178 1 2 1 1 18 GLN HB2 A 18 . HB1 1 1
179 1 1 1 1 18 GLN H A 18 . HN 1 1
179 1 2 1 1 18 GLN HG2 A 18 . HG1 1 1
180 1 1 1 1 18 GLN H A 18 . HN 1 1
180 1 2 1 1 18 GLN HG3 A 18 . HG2 1 1
181 1 1 1 1 18 GLN HA A 18 . HA 1 1
181 1 2 1 1 18 GLN HB2 A 18 . HB1 1 1
182 1 1 1 1 18 GLN HA A 18 . HA 1 1
182 1 2 1 1 18 GLN HG2 A 18 . HG1 1 1
183 1 1 1 1 18 GLN HA A 18 . HA 1 1
183 1 2 1 1 18 GLN HG3 A 18 . HG2 1 1
184 1 1 1 1 18 GLN HA A 18 . HA 1 1
184 1 2 1 1 19 SER H A 19 . HN 1 1
185 1 1 1 1 18 GLN HA A 18 . HA 1 1
185 1 2 1 1 20 CYS H A 20 . HN 1 1
186 1 1 1 1 18 GLN HB2 A 18 . HB1 1 1
186 1 2 1 1 18 GLN HG2 A 18 . HG1 1 1
187 1 1 1 1 18 GLN HB2 A 18 . HB1 1 1
187 1 2 1 1 18 GLN HG3 A 18 . HG2 1 1
188 1 1 1 1 19 SER H A 19 . HN 1 1
188 1 2 1 1 19 SER HA A 19 . HA 1 1
189 1 1 1 1 19 SER H A 19 . HN 1 1
189 1 2 1 1 19 SER HB2 A 19 . HB1 1 1
190 1 1 1 1 19 SER H A 19 . HN 1 1
190 1 2 1 1 19 SER HB3 A 19 . HB2 1 1
191 1 1 1 1 19 SER HA A 19 . HA 1 1
191 1 2 1 1 19 SER HB2 A 19 . HB1 1 1
192 1 1 1 1 19 SER HA A 19 . HA 1 1
192 1 2 1 1 19 SER HB3 A 19 . HB2 1 1
193 1 1 1 1 19 SER HA A 19 . HA 1 1
193 1 2 1 1 20 CYS H A 20 . HN 1 1
194 1 1 1 1 20 CYS H A 20 . HN 1 1
194 1 2 1 1 20 CYS HA A 20 . HA 1 1
195 1 1 1 1 20 CYS H A 20 . HN 1 1
195 1 2 1 1 20 CYS HB2 A 20 . HB1 1 1
196 1 1 1 1 20 CYS H A 20 . HN 1 1
196 1 2 1 1 20 CYS HB3 A 20 . HB2 1 1
197 1 1 1 1 20 CYS HA A 20 . HA 1 1
197 1 2 1 1 20 CYS HB2 A 20 . HB1 1 1
198 1 1 1 1 20 CYS HA A 20 . HA 1 1
198 1 2 1 1 20 CYS HB3 A 20 . HB2 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.636 1.767 3.505 1 1
2 1 . . . . . 2.568 1.743 3.393 1 1
3 1 . . . . . 3.171 1.914 4.428 1 1
4 1 . . . . . 2.962 1.865 4.059 1 1
5 1 . . . . . 3.252 1.933 4.574 1 1
6 1 . . . . . 2.623 1.763 3.483 1 1
7 1 . . . . . 3.159 1.912 4.406 1 1
8 1 . . . . . 2.509 1.816 3.296 1 1
9 1 . . . . . 2.239 1.612 2.866 1 1
10 1 . . . . . 2.515 1.724 3.306 1 1
11 1 . . . . . 2.187 1.589 2.464 1 1
12 1 . . . . . 2.194 1.667 2.796 1 1
13 1 . . . . . 2.994 1.874 4.114 1 1
14 1 . . . . . 3.166 1.913 4.419 1 1
15 1 . . . . . 2.352 1.684 3.043 1 1
16 1 . . . . . 2.782 1.814 3.75 1 1
17 1 . . . . . 2.489 1.714 3.264 1 1
18 1 . . . . . 2.625 1.763 3.487 1 1
19 1 . . . . . 2.647 1.771 3.523 1 1
20 1 . . . . . 2.874 1.842 3.906 1 1
21 1 . . . . . 3.262 1.932 4.592 1 1
22 1 . . . . . 2.948 1.862 4.034 1 1
23 1 . . . . . 2.319 1.646 2.992 1 1
24 1 . . . . . 2.845 1.833 3.857 1 1
25 1 . . . . . 2.792 1.818 3.766 1 1
26 1 . . . . . 2.658 1.775 3.541 1 1
27 1 . . . . . 2.479 1.711 3.247 1 1
28 1 . . . . . 3.13 1.905 4.355 1 1
29 1 . . . . . 3.135 1.906 4.364 1 1
30 1 . . . . . 2.218 1.603 2.833 1 1
31 1 . . . . . 2.817 1.825 3.809 1 1
32 1 . . . . . 2.384 1.674 3.094 1 1
33 1 . . . . . 2.435 1.694 3.176 1 1
34 1 . . . . . 2.745 1.803 3.687 1 1
35 1 . . . . . 3.157 1.911 4.403 1 1
36 1 . . . . . 2.303 1.64 2.966 1 1
37 1 . . . . . 1.913 1.455 2.371 1 1
38 1 . . . . . 2.68 1.782 3.578 1 1
39 1 . . . . . 3.185 1.917 4.453 1 1
40 1 . . . . . 3.341 1.946 4.736 1 1
41 1 . . . . . 2.211 1.6 2.822 1 1
42 1 . . . . . 3.506 1.969 5.043 1 1
43 1 . . . . . 3.677 1.987 5.367 1 1
44 1 . . . . . 2.313 1.645 2.981 1 1
45 1 . . . . . 3.376 1.951 4.801 1 1
46 1 . . . . . 3.346 1.946 4.746 1 1
47 1 . . . . . 3.378 1.952 4.804 1 1
48 1 . . . . . 4.053 2.0 6.106 1 1
49 1 . . . . . 3.614 1.982 5.246 1 1
50 1 . . . . . 3.006 1.877 4.135 1 1
51 1 . . . . . 2.867 1.945 3.894 1 1
52 1 . . . . . 2.986 1.872 3.817 1 1
53 1 . . . . . 2.596 1.913 3.438 1 1
54 1 . . . . . 2.931 1.857 4.005 1 1
55 1 . . . . . 2.722 1.796 3.648 1 1
56 1 . . . . . 3.024 1.881 4.167 1 1
57 1 . . . . . 3.39 1.954 4.826 1 1
58 1 . . . . . 2.94 1.86 4.02 1 1
59 1 . . . . . 3.568 1.977 5.159 1 1
60 1 . . . . . 2.504 1.72 3.288 1 1
61 1 . . . . . 3.443 1.961 4.925 1 1
62 1 . . . . . 2.238 1.612 2.864 1 1
63 1 . . . . . 2.031 1.515 2.547 1 1
64 1 . . . . . 2.923 1.855 3.991 1 1
65 1 . . . . . 2.696 1.788 3.604 1 1
66 1 . . . . . 2.629 1.765 3.493 1 1
67 1 . . . . . 3.28 1.935 4.625 1 1
68 1 . . . . . 2.501 1.719 3.283 1 1
69 1 . . . . . 3.126 1.904 4.348 1 1
70 1 . . . . . 2.239 1.613 2.865 1 1
71 1 . . . . . 2.372 1.668 3.076 1 1
72 1 . . . . . 2.901 1.849 3.953 1 1
73 1 . . . . . 2.551 1.737 3.365 1 1
74 1 . . . . . 3.034 1.883 4.185 1 1
75 1 . . . . . 2.499 1.718 3.28 1 1
76 1 . . . . . 2.471 1.708 3.234 1 1
77 1 . . . . . 2.244 1.615 2.873 1 1
78 1 . . . . . 3.954 1.999 5.909 1 1
79 1 . . . . . 3.625 1.982 5.268 1 1
80 1 . . . . . 2.093 1.545 2.641 1 1
81 1 . . . . . 3.042 1.885 4.199 1 1
82 1 . . . . . 2.854 1.836 3.872 1 1
83 1 . . . . . 3.39 1.954 4.826 1 1
84 1 . . . . . 2.777 1.813 3.741 1 1
85 1 . . . . . 3.14 1.908 4.372 1 1
86 1 . . . . . 2.69 1.786 3.594 1 1
87 1 . . . . . 2.742 1.802 3.682 1 1
88 1 . . . . . 4.05 2.0 6.1 1 1
89 1 . . . . . 2.609 1.758 3.46 1 1
90 1 . . . . . 2.937 1.859 4.015 1 1
91 1 . . . . . 2.05 1.525 2.575 1 1
92 1 . . . . . 3.226 1.925 4.527 1 1
93 1 . . . . . 2.449 1.699 3.199 1 1
94 1 . . . . . 3.131 1.905 4.357 1 1
95 1 . . . . . 3.38 1.952 4.808 1 1
96 1 . . . . . 3.141 1.908 4.374 1 1
97 1 . . . . . 3.331 1.995 4.718 1 1
98 1 . . . . . 2.672 1.78 3.564 1 1
99 1 . . . . . 2.847 1.834 3.86 1 1
100 1 . . . . . 2.621 1.762 3.48 1 1
101 1 . . . . . 2.358 1.663 3.053 1 1
102 1 . . . . . 2.31 1.643 2.977 1 1
103 1 . . . . . 3.586 1.979 5.193 1 1
104 1 . . . . . 2.828 1.828 3.828 1 1
105 1 . . . . . 2.872 1.841 3.903 1 1
106 1 . . . . . 5.529 1.708 9.35 1 1
107 1 . . . . . 2.787 1.816 3.758 1 1
108 1 . . . . . 2.68 1.782 3.578 1 1
109 1 . . . . . 2.496 1.717 3.275 1 1
110 1 . . . . . 3.129 1.905 4.353 1 1
111 1 . . . . . 2.959 1.865 4.053 1 1
112 1 . . . . . 3.06 1.89 4.23 1 1
113 1 . . . . . 3.963 2.0 5.926 1 1
114 1 . . . . . 3.22 1.924 4.516 1 1
115 1 . . . . . 2.631 1.765 3.497 1 1
116 1 . . . . . 3.2 1.92 4.48 1 1
117 1 . . . . . 3.278 1.935 4.621 1 1
118 1 . . . . . 2.992 1.873 4.111 1 1
119 1 . . . . . 2.013 1.506 2.52 1 1
120 1 . . . . . 2.876 1.842 3.91 1 1
121 1 . . . . . 2.705 1.79 3.62 1 1
122 1 . . . . . 2.943 1.861 4.025 1 1
123 1 . . . . . 2.492 1.716 3.268 1 1
124 1 . . . . . 2.961 1.865 4.057 1 1
125 1 . . . . . 2.85 1.835 3.865 1 1
126 1 . . . . . 3.001 1.875 4.127 1 1
127 1 . . . . . 2.912 1.852 3.972 1 1
128 1 . . . . . 2.675 1.78 3.57 1 1
129 1 . . . . . 2.535 1.905 3.338 1 1
130 1 . . . . . 2.429 1.691 3.167 1 1
131 1 . . . . . 3.204 1.921 4.487 1 1
132 1 . . . . . 2.717 1.794 3.64 1 1
133 1 . . . . . 2.613 1.76 3.466 1 1
134 1 . . . . . 2.697 1.788 3.606 1 1
135 1 . . . . . 2.041 1.52 2.562 1 1
136 1 . . . . . 2.138 1.566 2.71 1 1
137 1 . . . . . 2.303 1.64 2.897 1 1
138 1 . . . . . 3.125 1.904 4.346 1 1
139 1 . . . . . 3.176 1.916 4.436 1 1
140 1 . . . . . 2.136 1.566 2.706 1 1
141 1 . . . . . 2.638 1.768 3.298 1 1
142 1 . . . . . 2.658 1.775 3.541 1 1
143 1 . . . . . 2.561 1.741 3.098 1 1
144 1 . . . . . 2.837 1.831 3.363 1 1
145 1 . . . . . 4.319 1.988 6.65 1 1
146 1 . . . . . 3.172 1.914 4.43 1 1
147 1 . . . . . 1.876 1.436 2.316 1 1
148 1 . . . . . 2.902 1.849 3.955 1 1
149 1 . . . . . 2.98 1.87 4.09 1 1
150 1 . . . . . 2.372 1.669 3.075 1 1
151 1 . . . . . 2.837 1.831 3.843 1 1
152 1 . . . . . 2.749 1.805 3.693 1 1
153 1 . . . . . 2.69 1.786 3.594 1 1
154 1 . . . . . 3.139 1.907 4.371 1 1
155 1 . . . . . 2.989 1.872 4.106 1 1
156 1 . . . . . 2.513 1.724 3.302 1 1
157 1 . . . . . 3.354 1.948 3.694 1 1
158 1 . . . . . 2.892 1.847 3.937 1 1
159 1 . . . . . 2.679 1.782 3.576 1 1
160 1 . . . . . 2.332 1.659 3.012 1 1
161 1 . . . . . 2.057 1.528 2.586 1 1
162 1 . . . . . 2.166 1.58 2.737 1 1
163 1 . . . . . 3.476 1.966 4.986 1 1
164 1 . . . . . 2.036 1.518 2.554 1 1
165 1 . . . . . 3.45 1.962 3.874 1 1
166 1 . . . . . 2.749 1.804 3.694 1 1
167 1 . . . . . 2.453 1.701 3.205 1 1
168 1 . . . . . 2.359 1.663 3.055 1 1
169 1 . . . . . 2.178 1.585 2.771 1 1
170 1 . . . . . 2.639 1.769 3.509 1 1
171 1 . . . . . 2.923 1.855 3.991 1 1
172 1 . . . . . 2.856 1.837 3.875 1 1
173 1 . . . . . 3.025 1.881 4.169 1 1
174 1 . . . . . 2.575 1.746 3.404 1 1
175 1 . . . . . 2.597 1.754 3.44 1 1
176 1 . . . . . 2.162 1.578 2.746 1 1
177 1 . . . . . 2.849 1.834 3.864 1 1
178 1 . . . . . 2.766 1.81 3.722 1 1
179 1 . . . . . 3.326 1.943 4.709 1 1
180 1 . . . . . 2.832 1.83 3.834 1 1
181 1 . . . . . 2.524 1.727 3.321 1 1
182 1 . . . . . 2.769 1.811 3.727 1 1
183 1 . . . . . 2.203 1.596 2.81 1 1
184 1 . . . . . 2.916 1.853 3.979 1 1
185 1 . . . . . 3.301 1.939 4.663 1 1
186 1 . . . . . 2.541 1.734 3.348 1 1
187 1 . . . . . 1.839 1.416 2.262 1 1
188 1 . . . . . 2.574 1.746 3.402 1 1
189 1 . . . . . 2.798 1.819 3.777 1 1
190 1 . . . . . 2.735 1.8 3.67 1 1
191 1 . . . . . 2.255 1.62 2.89 1 1
192 1 . . . . . 2.231 1.609 2.853 1 1
193 1 . . . . . 3.49 1.968 5.012 1 1
194 1 . . . . . 2.786 1.816 3.756 1 1
195 1 . . . . . 2.383 1.673 3.093 1 1
196 1 . . . . . 2.911 1.852 3.97 1 1
197 1 . . . . . 2.486 1.714 3.258 1 1
198 1 . . . . . 2.391 1.677 3.105 1 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_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 1 THR C 1 1 2 ARG N 1 1 2 ARG CA 1 1 2 ARG C -116.99999 -77.0 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1
2 . 1 1 2 ARG N 1 1 2 ARG CA 1 1 2 ARG C 1 1 3 ILE N -26.0 22.0 . 2 . N . 2 . CA . 2 . C . 3 . N 1 1
3 . 1 1 2 ARG C 1 1 3 ILE N 1 1 3 ILE CA 1 1 3 ILE C -137.0 -33.0 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1
4 . 1 1 3 ILE N 1 1 3 ILE CA 1 1 3 ILE C 1 1 4 CYS N 103.0 167.0 . 3 . N . 3 . CA . 3 . C . 4 . N 1 1
5 . 1 1 4 CYS C 1 1 5 CYS N 1 1 5 CYS CA 1 1 5 CYS C -162.99998 -103.0 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1
6 . 1 1 5 CYS N 1 1 5 CYS CA 1 1 5 CYS C 1 1 6 GLY N 129.0 169.0 . 5 . N . 5 . CA . 5 . C . 6 . N 1 1
7 . 1 1 6 GLY C 1 1 7 CYS N 1 1 7 CYS CA 1 1 7 CYS C -167.0 -118.99999 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1
8 . 1 1 7 CYS N 1 1 7 CYS CA 1 1 7 CYS C 1 1 8 TYR N 125.0 181.0 . 7 . N . 7 . CA . 7 . C . 8 . N 1 1
9 . 1 1 7 CYS C 1 1 8 TYR N 1 1 8 TYR CA 1 1 8 TYR C -172.0 -76.0 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1
10 . 1 1 8 TYR N 1 1 8 TYR CA 1 1 8 TYR C 1 1 9 TRP N 101.99999 158.0 . 8 . N . 8 . CA . 8 . C . 9 . N 1 1
11 . 1 1 8 TYR C 1 1 9 TRP N 1 1 9 TRP CA 1 1 9 TRP C -173.0 -65.0 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1
12 . 1 1 9 TRP N 1 1 9 TRP CA 1 1 9 TRP C 1 1 10 ASN N 83.0 183.0 . 9 . N . 9 . CA . 9 . C . 10 . N 1 1
13 . 1 1 9 TRP C 1 1 10 ASN N 1 1 10 ASN CA 1 1 10 ASN C -149.0 -53.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1
14 . 1 1 10 ASN N 1 1 10 ASN CA 1 1 10 ASN C 1 1 11 GLY N 91.0 183.0 . 10 . N . 10 . CA . 10 . C . 11 . N 1 1
15 . 1 1 11 GLY C 1 1 12 SER N 1 1 12 SER CA 1 1 12 SER C -116.99999 -65.0 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1
16 . 1 1 12 SER N 1 1 12 SER CA 1 1 12 SER C 1 1 13 LYS N -47.0 21.0 . 12 . N . 12 . CA . 12 . C . 13 . N 1 1
17 . 1 1 12 SER C 1 1 13 LYS N 1 1 13 LYS CA 1 1 13 LYS C -171.0 -87.0 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1
18 . 1 1 13 LYS N 1 1 13 LYS CA 1 1 13 LYS C 1 1 14 ASP N 127.00001 167.0 . 13 . N . 13 . CA . 13 . C . 14 . N 1 1
19 . 1 1 13 LYS C 1 1 14 ASP N 1 1 14 ASP CA 1 1 14 ASP C -138.0 -58.0 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1
20 . 1 1 14 ASP N 1 1 14 ASP CA 1 1 14 ASP C 1 1 15 VAL N 111.0 159.0 . 14 . N . 14 . CA . 14 . C . 15 . N 1 1
21 . 1 1 14 ASP C 1 1 15 VAL N 1 1 15 VAL CA 1 1 15 VAL C -138.0 -61.999996 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1
22 . 1 1 15 VAL N 1 1 15 VAL CA 1 1 15 VAL C 1 1 16 CYS N 107.0 155.0 . 15 . N . 15 . CA . 15 . C . 16 . N 1 1
23 . 1 1 15 VAL C 1 1 16 CYS N 1 1 16 CYS CA 1 1 16 CYS C -153.0 -93.0 . 15 . C . 16 . N . 16 . CA . 16 . C 1 1
24 . 1 1 16 CYS N 1 1 16 CYS CA 1 1 16 CYS C 1 1 17 SER N 123.0 174.99998 . 16 . N . 16 . CA . 16 . C . 17 . N 1 1
25 . 1 1 16 CYS C 1 1 17 SER N 1 1 17 SER CA 1 1 17 SER C -188.0 -84.0 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1
26 . 1 1 17 SER N 1 1 17 SER CA 1 1 17 SER C 1 1 18 GLN N 115.00001 183.0 . 17 . N . 17 . CA . 17 . C . 18 . N 1 1
27 . 1 1 17 SER C 1 1 18 GLN N 1 1 18 GLN CA 1 1 18 GLN C -132.0 -56.0 . 17 . C . 18 . N . 18 . CA . 18 . C 1 1
28 . 1 1 18 GLN N 1 1 18 GLN CA 1 1 18 GLN C 1 1 19 SER N 80.0 215.99998 . 18 . N . 18 . CA . 18 . C . 19 . N 1 1
29 . 1 1 18 GLN C 1 1 19 SER N 1 1 19 SER CA 1 1 19 SER C -82.0 -30.0 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1
30 . 1 1 19 SER N 1 1 19 SER CA 1 1 19 SER C 1 1 20 CYS N -60.0 -8.0 . 19 . N . 19 . CA . 19 . C . 20 . N 1 1
31 . 1 1 19 SER C 1 1 20 CYS N 1 1 20 CYS CA 1 1 20 CYS C -110.0 -61.999996 . 19 . C . 20 . N . 20 . CA . 20 . C 1 1
32 . 1 1 20 CYS N 1 1 20 CYS CA 1 1 20 CYS C 1 1 21 CYS N -44.0 32.0 . 20 . N . 20 . CA . 20 . C . 21 . N 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 THR C C -0.876 -4.852 -0.830 1.00 . A A . 1 THR C 1 1
1 2 1 1 1 THR CA C 0.215 -5.900 -0.604 1.00 . A A . 1 THR CA 1 1
1 3 1 1 1 THR CB C -0.196 -7.228 -1.258 1.00 . A A . 1 THR CB 1 1
1 4 1 1 1 THR CG2 C 1.026 -8.062 -1.613 1.00 . A A . 1 THR CG2 1 1
1 5 1 1 1 THR H1 H 0.825 -5.202 1.258 1.00 . A A . 1 THR H1 1 1
1 6 1 1 1 THR H2 H 1.250 -6.805 0.956 1.00 . A A . 1 THR H2 1 1
1 7 1 1 1 THR H3 H -0.349 -6.414 1.329 1.00 . A A . 1 THR H3 1 1
1 8 1 1 1 THR HA H 1.120 -5.568 -1.077 1.00 . A A . 1 THR HA 1 1
1 9 1 1 1 THR HB H -0.747 -7.014 -2.162 1.00 . A A . 1 THR HB 1 1
1 10 1 1 1 THR HG1 H -0.472 -8.513 0.197 1.00 . A A . 1 THR HG1 1 1
1 11 1 1 1 THR HG21 H 0.709 -8.984 -2.079 1.00 . A A . 1 THR HG21 1 1
1 12 1 1 1 THR HG22 H 1.582 -8.285 -0.714 1.00 . A A . 1 THR HG22 1 1
1 13 1 1 1 THR HG23 H 1.653 -7.511 -2.296 1.00 . A A . 1 THR HG23 1 1
1 14 1 1 1 THR N N 0.503 -6.092 0.834 1.00 . A A . 1 THR N 1 1
1 15 1 1 1 THR O O -0.659 -3.869 -1.528 1.00 . A A . 1 THR O 1 1
1 16 1 1 1 THR OG1 O -1.030 -7.961 -0.361 1.00 . A A . 1 THR OG1 1 1
1 17 1 1 2 ARG C C -3.619 -3.581 0.943 1.00 . A A . 2 ARG C 1 1
1 18 1 1 2 ARG CA C -3.193 -4.203 -0.395 1.00 . A A . 2 ARG CA 1 1
1 19 1 1 2 ARG CB C -4.357 -4.978 -1.008 1.00 . A A . 2 ARG CB 1 1
1 20 1 1 2 ARG CD C -4.623 -3.685 -3.084 1.00 . A A . 2 ARG CD 1 1
1 21 1 1 2 ARG CG C -5.286 -4.102 -1.805 1.00 . A A . 2 ARG CG 1 1
1 22 1 1 2 ARG CZ C -3.664 -4.834 -5.051 1.00 . A A . 2 ARG CZ 1 1
1 23 1 1 2 ARG H H -2.167 -5.888 0.275 1.00 . A A . 2 ARG H 1 1
1 24 1 1 2 ARG HA H -2.910 -3.408 -1.065 1.00 . A A . 2 ARG HA 1 1
1 25 1 1 2 ARG HB2 H -3.968 -5.745 -1.658 1.00 . A A . 2 ARG HB2 1 1
1 26 1 1 2 ARG HB3 H -4.921 -5.432 -0.224 1.00 . A A . 2 ARG HB3 1 1
1 27 1 1 2 ARG HD2 H -5.171 -2.864 -3.521 1.00 . A A . 2 ARG HD2 1 1
1 28 1 1 2 ARG HD3 H -3.631 -3.369 -2.827 1.00 . A A . 2 ARG HD3 1 1
1 29 1 1 2 ARG HE H -5.174 -5.527 -3.937 1.00 . A A . 2 ARG HE 1 1
1 30 1 1 2 ARG HG2 H -6.192 -4.629 -2.018 1.00 . A A . 2 ARG HG2 1 1
1 31 1 1 2 ARG HG3 H -5.504 -3.222 -1.229 1.00 . A A . 2 ARG HG3 1 1
1 32 1 1 2 ARG HH11 H -2.766 -3.072 -4.594 1.00 . A A . 2 ARG HH11 1 1
1 33 1 1 2 ARG HH12 H -2.117 -3.903 -5.972 1.00 . A A . 2 ARG HH12 1 1
1 34 1 1 2 ARG HH21 H -4.350 -6.601 -5.763 1.00 . A A . 2 ARG HH21 1 1
1 35 1 1 2 ARG HH22 H -3.024 -5.910 -6.644 1.00 . A A . 2 ARG HH22 1 1
1 36 1 1 2 ARG N N -2.045 -5.076 -0.243 1.00 . A A . 2 ARG N 1 1
1 37 1 1 2 ARG NE N -4.538 -4.783 -4.047 1.00 . A A . 2 ARG NE 1 1
1 38 1 1 2 ARG NH1 N -2.780 -3.857 -5.222 1.00 . A A . 2 ARG NH1 1 1
1 39 1 1 2 ARG NH2 N -3.680 -5.863 -5.887 1.00 . A A . 2 ARG NH2 1 1
1 40 1 1 2 ARG O O -4.809 -3.474 1.210 1.00 . A A . 2 ARG O 1 1
1 41 1 1 3 ILE C C -3.881 -1.568 3.180 1.00 . A A . 3 ILE C 1 1
1 42 1 1 3 ILE CA C -3.000 -2.828 3.189 1.00 . A A . 3 ILE CA 1 1
1 43 1 1 3 ILE CB C -1.721 -2.523 4.004 1.00 . A A . 3 ILE CB 1 1
1 44 1 1 3 ILE CD1 C 0.638 -3.370 4.464 1.00 . A A . 3 ILE CD1 1 1
1 45 1 1 3 ILE CG1 C -0.739 -3.683 3.916 1.00 . A A . 3 ILE CG1 1 1
1 46 1 1 3 ILE CG2 C -2.063 -2.251 5.455 1.00 . A A . 3 ILE CG2 1 1
1 47 1 1 3 ILE H H -1.736 -3.395 1.576 1.00 . A A . 3 ILE H 1 1
1 48 1 1 3 ILE HA H -3.531 -3.609 3.681 1.00 . A A . 3 ILE HA 1 1
1 49 1 1 3 ILE HB H -1.260 -1.638 3.594 1.00 . A A . 3 ILE HB 1 1
1 50 1 1 3 ILE HD11 H 1.232 -4.273 4.480 1.00 . A A . 3 ILE HD11 1 1
1 51 1 1 3 ILE HD12 H 0.549 -2.979 5.465 1.00 . A A . 3 ILE HD12 1 1
1 52 1 1 3 ILE HD13 H 1.121 -2.637 3.830 1.00 . A A . 3 ILE HD13 1 1
1 53 1 1 3 ILE HG12 H -1.131 -4.524 4.466 1.00 . A A . 3 ILE HG12 1 1
1 54 1 1 3 ILE HG13 H -0.632 -3.953 2.888 1.00 . A A . 3 ILE HG13 1 1
1 55 1 1 3 ILE HG21 H -2.737 -1.410 5.516 1.00 . A A . 3 ILE HG21 1 1
1 56 1 1 3 ILE HG22 H -1.158 -2.031 5.998 1.00 . A A . 3 ILE HG22 1 1
1 57 1 1 3 ILE HG23 H -2.534 -3.123 5.879 1.00 . A A . 3 ILE HG23 1 1
1 58 1 1 3 ILE N N -2.666 -3.300 1.834 1.00 . A A . 3 ILE N 1 1
1 59 1 1 3 ILE O O -3.392 -0.442 3.209 1.00 . A A . 3 ILE O 1 1
1 60 1 1 4 CYS C C -5.939 0.454 2.437 1.00 . A A . 4 CYS C 1 1
1 61 1 1 4 CYS CA C -6.229 -0.770 3.322 1.00 . A A . 4 CYS CA 1 1
1 62 1 1 4 CYS CB C -6.435 -0.298 4.764 1.00 . A A . 4 CYS CB 1 1
1 63 1 1 4 CYS H H -5.459 -2.750 3.227 1.00 . A A . 4 CYS H 1 1
1 64 1 1 4 CYS HA H -7.148 -1.222 2.981 1.00 . A A . 4 CYS HA 1 1
1 65 1 1 4 CYS HB2 H -5.936 -0.975 5.439 1.00 . A A . 4 CYS HB2 1 1
1 66 1 1 4 CYS HB3 H -6.007 0.693 4.865 1.00 . A A . 4 CYS HB3 1 1
1 67 1 1 4 CYS N N -5.183 -1.810 3.254 1.00 . A A . 4 CYS N 1 1
1 68 1 1 4 CYS O O -5.154 0.416 1.492 1.00 . A A . 4 CYS O 1 1
1 69 1 1 4 CYS SG S -8.188 -0.184 5.277 1.00 . A A . 4 CYS SG 1 1
1 70 1 1 5 CYS C C -5.422 3.663 2.888 1.00 . A A . 5 CYS C 1 1
1 71 1 1 5 CYS CA C -6.377 2.801 2.077 1.00 . A A . 5 CYS CA 1 1
1 72 1 1 5 CYS CB C -7.697 3.531 1.895 1.00 . A A . 5 CYS CB 1 1
1 73 1 1 5 CYS H H -7.323 1.482 3.423 1.00 . A A . 5 CYS H 1 1
1 74 1 1 5 CYS HA H -5.947 2.600 1.113 1.00 . A A . 5 CYS HA 1 1
1 75 1 1 5 CYS HB2 H -8.166 3.611 2.859 1.00 . A A . 5 CYS HB2 1 1
1 76 1 1 5 CYS HB3 H -7.510 4.517 1.502 1.00 . A A . 5 CYS HB3 1 1
1 77 1 1 5 CYS N N -6.607 1.542 2.752 1.00 . A A . 5 CYS N 1 1
1 78 1 1 5 CYS O O -5.321 3.520 4.110 1.00 . A A . 5 CYS O 1 1
1 79 1 1 5 CYS SG S -8.866 2.689 0.780 1.00 . A A . 5 CYS SG 1 1
1 80 1 1 6 GLY C C -2.346 4.997 2.180 1.00 . A A . 6 GLY C 1 1
1 81 1 1 6 GLY CA C -3.671 5.312 2.821 1.00 . A A . 6 GLY CA 1 1
1 82 1 1 6 GLY H H -4.877 4.634 1.235 1.00 . A A . 6 GLY H 1 1
1 83 1 1 6 GLY HA2 H -3.889 6.363 2.703 1.00 . A A . 6 GLY HA2 1 1
1 84 1 1 6 GLY HA3 H -3.623 5.070 3.872 1.00 . A A . 6 GLY HA3 1 1
1 85 1 1 6 GLY N N -4.710 4.532 2.198 1.00 . A A . 6 GLY N 1 1
1 86 1 1 6 GLY O O -2.282 4.816 0.965 1.00 . A A . 6 GLY O 1 1
1 87 1 1 7 CYS C C 0.666 3.521 3.383 1.00 . A A . 7 CYS C 1 1
1 88 1 1 7 CYS CA C -0.009 4.502 2.440 1.00 . A A . 7 CYS CA 1 1
1 89 1 1 7 CYS CB C 0.889 5.711 2.201 1.00 . A A . 7 CYS CB 1 1
1 90 1 1 7 CYS H H -1.383 5.107 3.929 1.00 . A A . 7 CYS H 1 1
1 91 1 1 7 CYS HA H -0.186 4.006 1.500 1.00 . A A . 7 CYS HA 1 1
1 92 1 1 7 CYS HB2 H 0.289 6.541 1.859 1.00 . A A . 7 CYS HB2 1 1
1 93 1 1 7 CYS HB3 H 1.367 5.973 3.129 1.00 . A A . 7 CYS HB3 1 1
1 94 1 1 7 CYS N N -1.295 4.903 2.972 1.00 . A A . 7 CYS N 1 1
1 95 1 1 7 CYS O O 0.715 3.735 4.594 1.00 . A A . 7 CYS O 1 1
1 96 1 1 7 CYS SG S 2.199 5.418 0.969 1.00 . A A . 7 CYS SG 1 1
1 97 1 1 8 TYR C C 3.148 1.030 2.979 1.00 . A A . 8 TYR C 1 1
1 98 1 1 8 TYR CA C 1.802 1.382 3.575 1.00 . A A . 8 TYR CA 1 1
1 99 1 1 8 TYR CB C 0.912 0.142 3.597 1.00 . A A . 8 TYR CB 1 1
1 100 1 1 8 TYR CD1 C 1.183 -0.841 1.273 1.00 . A A . 8 TYR CD1 1 1
1 101 1 1 8 TYR CD2 C -0.967 -0.087 1.947 1.00 . A A . 8 TYR CD2 1 1
1 102 1 1 8 TYR CE1 C 0.668 -1.214 0.048 1.00 . A A . 8 TYR CE1 1 1
1 103 1 1 8 TYR CE2 C -1.488 -0.456 0.729 1.00 . A A . 8 TYR CE2 1 1
1 104 1 1 8 TYR CG C 0.370 -0.268 2.243 1.00 . A A . 8 TYR CG 1 1
1 105 1 1 8 TYR CZ C -0.669 -1.017 -0.219 1.00 . A A . 8 TYR CZ 1 1
1 106 1 1 8 TYR H H 1.130 2.358 1.842 1.00 . A A . 8 TYR H 1 1
1 107 1 1 8 TYR HA H 1.946 1.731 4.587 1.00 . A A . 8 TYR HA 1 1
1 108 1 1 8 TYR HB2 H 1.484 -0.681 3.977 1.00 . A A . 8 TYR HB2 1 1
1 109 1 1 8 TYR HB3 H 0.072 0.321 4.249 1.00 . A A . 8 TYR HB3 1 1
1 110 1 1 8 TYR HD1 H 2.229 -0.995 1.488 1.00 . A A . 8 TYR HD1 1 1
1 111 1 1 8 TYR HD2 H -1.613 0.351 2.692 1.00 . A A . 8 TYR HD2 1 1
1 112 1 1 8 TYR HE1 H 1.313 -1.658 -0.695 1.00 . A A . 8 TYR HE1 1 1
1 113 1 1 8 TYR HE2 H -2.541 -0.317 0.533 1.00 . A A . 8 TYR HE2 1 1
1 114 1 1 8 TYR HH H -0.886 -2.274 -1.657 1.00 . A A . 8 TYR HH 1 1
1 115 1 1 8 TYR N N 1.173 2.443 2.815 1.00 . A A . 8 TYR N 1 1
1 116 1 1 8 TYR O O 3.419 1.335 1.820 1.00 . A A . 8 TYR O 1 1
1 117 1 1 8 TYR OH O -1.187 -1.380 -1.438 1.00 . A A . 8 TYR OH 1 1
1 118 1 1 9 TRP C C 5.226 -1.445 2.767 1.00 . A A . 9 TRP C 1 1
1 119 1 1 9 TRP CA C 5.291 -0.016 3.278 1.00 . A A . 9 TRP CA 1 1
1 120 1 1 9 TRP CB C 6.360 0.098 4.367 1.00 . A A . 9 TRP CB 1 1
1 121 1 1 9 TRP CD1 C 8.281 -1.513 3.860 1.00 . A A . 9 TRP CD1 1 1
1 122 1 1 9 TRP CD2 C 8.686 0.608 3.279 1.00 . A A . 9 TRP CD2 1 1
1 123 1 1 9 TRP CE2 C 9.805 -0.172 2.936 1.00 . A A . 9 TRP CE2 1 1
1 124 1 1 9 TRP CE3 C 8.714 1.978 3.009 1.00 . A A . 9 TRP CE3 1 1
1 125 1 1 9 TRP CG C 7.722 -0.270 3.865 1.00 . A A . 9 TRP CG 1 1
1 126 1 1 9 TRP CH2 C 10.930 1.718 2.085 1.00 . A A . 9 TRP CH2 1 1
1 127 1 1 9 TRP CZ2 C 10.935 0.374 2.335 1.00 . A A . 9 TRP CZ2 1 1
1 128 1 1 9 TRP CZ3 C 9.835 2.517 2.415 1.00 . A A . 9 TRP CZ3 1 1
1 129 1 1 9 TRP H H 3.712 0.149 4.674 1.00 . A A . 9 TRP H 1 1
1 130 1 1 9 TRP HA H 5.554 0.636 2.457 1.00 . A A . 9 TRP HA 1 1
1 131 1 1 9 TRP HB2 H 6.397 1.114 4.729 1.00 . A A . 9 TRP HB2 1 1
1 132 1 1 9 TRP HB3 H 6.111 -0.565 5.183 1.00 . A A . 9 TRP HB3 1 1
1 133 1 1 9 TRP HD1 H 7.793 -2.396 4.240 1.00 . A A . 9 TRP HD1 1 1
1 134 1 1 9 TRP HE1 H 10.128 -2.238 3.164 1.00 . A A . 9 TRP HE1 1 1
1 135 1 1 9 TRP HE3 H 7.880 2.612 3.255 1.00 . A A . 9 TRP HE3 1 1
1 136 1 1 9 TRP HH2 H 11.781 2.184 1.623 1.00 . A A . 9 TRP HH2 1 1
1 137 1 1 9 TRP HZ2 H 11.791 -0.229 2.072 1.00 . A A . 9 TRP HZ2 1 1
1 138 1 1 9 TRP HZ3 H 9.873 3.575 2.199 1.00 . A A . 9 TRP HZ3 1 1
1 139 1 1 9 TRP N N 3.988 0.388 3.764 1.00 . A A . 9 TRP N 1 1
1 140 1 1 9 TRP NE1 N 9.529 -1.467 3.294 1.00 . A A . 9 TRP NE1 1 1
1 141 1 1 9 TRP O O 5.250 -2.394 3.551 1.00 . A A . 9 TRP O 1 1
1 142 1 1 10 ASN C C 6.493 -3.255 0.316 1.00 . A A . 10 ASN C 1 1
1 143 1 1 10 ASN CA C 5.112 -2.923 0.866 1.00 . A A . 10 ASN CA 1 1
1 144 1 1 10 ASN CB C 4.065 -3.015 -0.248 1.00 . A A . 10 ASN CB 1 1
1 145 1 1 10 ASN CG C 3.845 -4.439 -0.729 1.00 . A A . 10 ASN CG 1 1
1 146 1 1 10 ASN H H 5.019 -0.810 0.889 1.00 . A A . 10 ASN H 1 1
1 147 1 1 10 ASN HA H 4.865 -3.634 1.640 1.00 . A A . 10 ASN HA 1 1
1 148 1 1 10 ASN HB2 H 3.125 -2.632 0.118 1.00 . A A . 10 ASN HB2 1 1
1 149 1 1 10 ASN HB3 H 4.390 -2.417 -1.087 1.00 . A A . 10 ASN HB3 1 1
1 150 1 1 10 ASN HD21 H 5.205 -4.215 -2.159 1.00 . A A . 10 ASN HD21 1 1
1 151 1 1 10 ASN HD22 H 4.437 -5.761 -2.084 1.00 . A A . 10 ASN HD22 1 1
1 152 1 1 10 ASN N N 5.112 -1.599 1.461 1.00 . A A . 10 ASN N 1 1
1 153 1 1 10 ASN ND2 N 4.568 -4.845 -1.760 1.00 . A A . 10 ASN ND2 1 1
1 154 1 1 10 ASN O O 6.793 -2.983 -0.852 1.00 . A A . 10 ASN O 1 1
1 155 1 1 10 ASN OD1 O 3.021 -5.165 -0.180 1.00 . A A . 10 ASN OD1 1 1
1 156 1 1 11 GLY C C 9.645 -3.309 0.389 1.00 . A A . 11 GLY C 1 1
1 157 1 1 11 GLY CA C 8.613 -4.356 0.769 1.00 . A A . 11 GLY CA 1 1
1 158 1 1 11 GLY H H 7.064 -3.879 2.123 1.00 . A A . 11 GLY H 1 1
1 159 1 1 11 GLY HA2 H 9.012 -4.944 1.581 1.00 . A A . 11 GLY HA2 1 1
1 160 1 1 11 GLY HA3 H 8.457 -5.005 -0.074 1.00 . A A . 11 GLY HA3 1 1
1 161 1 1 11 GLY N N 7.328 -3.823 1.178 1.00 . A A . 11 GLY N 1 1
1 162 1 1 11 GLY O O 10.567 -3.032 1.155 1.00 . A A . 11 GLY O 1 1
1 163 1 1 12 SER C C 10.284 -0.401 -1.148 1.00 . A A . 12 SER C 1 1
1 164 1 1 12 SER CA C 10.531 -1.893 -1.375 1.00 . A A . 12 SER CA 1 1
1 165 1 1 12 SER CB C 10.629 -2.184 -2.870 1.00 . A A . 12 SER CB 1 1
1 166 1 1 12 SER H H 8.665 -2.881 -1.295 1.00 . A A . 12 SER H 1 1
1 167 1 1 12 SER HA H 11.468 -2.160 -0.912 1.00 . A A . 12 SER HA 1 1
1 168 1 1 12 SER HB2 H 11.250 -1.436 -3.342 1.00 . A A . 12 SER HB2 1 1
1 169 1 1 12 SER HB3 H 11.064 -3.161 -3.019 1.00 . A A . 12 SER HB3 1 1
1 170 1 1 12 SER HG H 9.421 -2.439 -4.398 1.00 . A A . 12 SER HG 1 1
1 171 1 1 12 SER N N 9.496 -2.734 -0.795 1.00 . A A . 12 SER N 1 1
1 172 1 1 12 SER O O 11.233 0.375 -1.030 1.00 . A A . 12 SER O 1 1
1 173 1 1 12 SER OG O 9.343 -2.158 -3.477 1.00 . A A . 12 SER OG 1 1
1 174 1 1 13 LYS C C 7.303 1.631 -0.409 1.00 . A A . 13 LYS C 1 1
1 175 1 1 13 LYS CA C 8.684 1.420 -1.003 1.00 . A A . 13 LYS CA 1 1
1 176 1 1 13 LYS CB C 8.760 2.080 -2.389 1.00 . A A . 13 LYS CB 1 1
1 177 1 1 13 LYS CD C 6.622 1.869 -3.675 1.00 . A A . 13 LYS CD 1 1
1 178 1 1 13 LYS CE C 6.627 3.271 -4.266 1.00 . A A . 13 LYS CE 1 1
1 179 1 1 13 LYS CG C 8.020 1.330 -3.486 1.00 . A A . 13 LYS CG 1 1
1 180 1 1 13 LYS H H 8.299 -0.661 -1.105 1.00 . A A . 13 LYS H 1 1
1 181 1 1 13 LYS HA H 9.412 1.887 -0.358 1.00 . A A . 13 LYS HA 1 1
1 182 1 1 13 LYS HB2 H 8.326 3.068 -2.318 1.00 . A A . 13 LYS HB2 1 1
1 183 1 1 13 LYS HB3 H 9.789 2.170 -2.676 1.00 . A A . 13 LYS HB3 1 1
1 184 1 1 13 LYS HD2 H 6.075 1.211 -4.333 1.00 . A A . 13 LYS HD2 1 1
1 185 1 1 13 LYS HD3 H 6.149 1.895 -2.712 1.00 . A A . 13 LYS HD3 1 1
1 186 1 1 13 LYS HE2 H 7.198 3.919 -3.620 1.00 . A A . 13 LYS HE2 1 1
1 187 1 1 13 LYS HE3 H 7.091 3.236 -5.240 1.00 . A A . 13 LYS HE3 1 1
1 188 1 1 13 LYS HG2 H 8.564 1.425 -4.412 1.00 . A A . 13 LYS HG2 1 1
1 189 1 1 13 LYS HG3 H 7.951 0.291 -3.208 1.00 . A A . 13 LYS HG3 1 1
1 190 1 1 13 LYS HZ1 H 4.797 3.893 -3.469 1.00 . A A . 13 LYS HZ1 1 1
1 191 1 1 13 LYS HZ2 H 4.677 3.209 -5.014 1.00 . A A . 13 LYS HZ2 1 1
1 192 1 1 13 LYS HZ3 H 5.290 4.772 -4.827 1.00 . A A . 13 LYS HZ3 1 1
1 193 1 1 13 LYS N N 9.019 0.003 -1.093 1.00 . A A . 13 LYS N 1 1
1 194 1 1 13 LYS NZ N 5.254 3.823 -4.404 1.00 . A A . 13 LYS NZ 1 1
1 195 1 1 13 LYS O O 6.524 0.686 -0.254 1.00 . A A . 13 LYS O 1 1
1 196 1 1 14 ASP C C 4.706 3.219 -0.713 1.00 . A A . 14 ASP C 1 1
1 197 1 1 14 ASP CA C 5.712 3.280 0.423 1.00 . A A . 14 ASP CA 1 1
1 198 1 1 14 ASP CB C 5.741 4.702 0.992 1.00 . A A . 14 ASP CB 1 1
1 199 1 1 14 ASP CG C 6.637 4.850 2.204 1.00 . A A . 14 ASP CG 1 1
1 200 1 1 14 ASP H H 7.727 3.563 -0.143 1.00 . A A . 14 ASP H 1 1
1 201 1 1 14 ASP HA H 5.416 2.589 1.197 1.00 . A A . 14 ASP HA 1 1
1 202 1 1 14 ASP HB2 H 6.095 5.378 0.228 1.00 . A A . 14 ASP HB2 1 1
1 203 1 1 14 ASP HB3 H 4.738 4.986 1.275 1.00 . A A . 14 ASP HB3 1 1
1 204 1 1 14 ASP N N 7.024 2.882 -0.064 1.00 . A A . 14 ASP N 1 1
1 205 1 1 14 ASP O O 4.794 3.982 -1.676 1.00 . A A . 14 ASP O 1 1
1 206 1 1 14 ASP OD1 O 6.154 4.643 3.339 1.00 . A A . 14 ASP OD1 1 1
1 207 1 1 14 ASP OD2 O 7.825 5.204 2.030 1.00 . A A . 14 ASP OD2 1 1
1 208 1 1 15 VAL C C 1.434 2.683 -1.091 1.00 . A A . 15 VAL C 1 1
1 209 1 1 15 VAL CA C 2.748 2.142 -1.617 1.00 . A A . 15 VAL CA 1 1
1 210 1 1 15 VAL CB C 2.565 0.663 -2.021 1.00 . A A . 15 VAL CB 1 1
1 211 1 1 15 VAL CG1 C 1.544 0.531 -3.143 1.00 . A A . 15 VAL CG1 1 1
1 212 1 1 15 VAL CG2 C 3.891 0.044 -2.431 1.00 . A A . 15 VAL CG2 1 1
1 213 1 1 15 VAL H H 3.733 1.745 0.194 1.00 . A A . 15 VAL H 1 1
1 214 1 1 15 VAL HA H 3.042 2.705 -2.490 1.00 . A A . 15 VAL HA 1 1
1 215 1 1 15 VAL HB H 2.192 0.124 -1.164 1.00 . A A . 15 VAL HB 1 1
1 216 1 1 15 VAL HG11 H 0.595 0.929 -2.815 1.00 . A A . 15 VAL HG11 1 1
1 217 1 1 15 VAL HG12 H 1.427 -0.511 -3.402 1.00 . A A . 15 VAL HG12 1 1
1 218 1 1 15 VAL HG13 H 1.886 1.080 -4.008 1.00 . A A . 15 VAL HG13 1 1
1 219 1 1 15 VAL HG21 H 3.735 -0.985 -2.717 1.00 . A A . 15 VAL HG21 1 1
1 220 1 1 15 VAL HG22 H 4.581 0.088 -1.601 1.00 . A A . 15 VAL HG22 1 1
1 221 1 1 15 VAL HG23 H 4.300 0.592 -3.268 1.00 . A A . 15 VAL HG23 1 1
1 222 1 1 15 VAL N N 3.766 2.305 -0.607 1.00 . A A . 15 VAL N 1 1
1 223 1 1 15 VAL O O 0.799 2.085 -0.222 1.00 . A A . 15 VAL O 1 1
1 224 1 1 16 CYS C C -1.252 4.139 -2.293 1.00 . A A . 16 CYS C 1 1
1 225 1 1 16 CYS CA C -0.213 4.440 -1.223 1.00 . A A . 16 CYS CA 1 1
1 226 1 1 16 CYS CB C -0.065 5.950 -1.047 1.00 . A A . 16 CYS CB 1 1
1 227 1 1 16 CYS H H 1.665 4.307 -2.202 1.00 . A A . 16 CYS H 1 1
1 228 1 1 16 CYS HA H -0.536 4.003 -0.294 1.00 . A A . 16 CYS HA 1 1
1 229 1 1 16 CYS HB2 H -0.365 6.434 -1.959 1.00 . A A . 16 CYS HB2 1 1
1 230 1 1 16 CYS HB3 H -0.715 6.271 -0.248 1.00 . A A . 16 CYS HB3 1 1
1 231 1 1 16 CYS N N 1.058 3.836 -1.588 1.00 . A A . 16 CYS N 1 1
1 232 1 1 16 CYS O O -0.946 4.170 -3.485 1.00 . A A . 16 CYS O 1 1
1 233 1 1 16 CYS SG S 1.629 6.513 -0.645 1.00 . A A . 16 CYS SG 1 1
1 234 1 1 17 SER C C -4.860 3.267 -2.018 1.00 . A A . 17 SER C 1 1
1 235 1 1 17 SER CA C -3.548 3.465 -2.775 1.00 . A A . 17 SER CA 1 1
1 236 1 1 17 SER CB C -3.172 2.180 -3.516 1.00 . A A . 17 SER CB 1 1
1 237 1 1 17 SER H H -2.665 3.905 -0.899 1.00 . A A . 17 SER H 1 1
1 238 1 1 17 SER HA H -3.674 4.262 -3.492 1.00 . A A . 17 SER HA 1 1
1 239 1 1 17 SER HB2 H -4.017 1.838 -4.094 1.00 . A A . 17 SER HB2 1 1
1 240 1 1 17 SER HB3 H -2.340 2.377 -4.176 1.00 . A A . 17 SER HB3 1 1
1 241 1 1 17 SER HG H -2.137 1.503 -2.000 1.00 . A A . 17 SER HG 1 1
1 242 1 1 17 SER N N -2.474 3.847 -1.861 1.00 . A A . 17 SER N 1 1
1 243 1 1 17 SER O O -4.920 3.455 -0.798 1.00 . A A . 17 SER O 1 1
1 244 1 1 17 SER OG O -2.801 1.161 -2.606 1.00 . A A . 17 SER OG 1 1
1 245 1 1 18 GLN C C -7.593 1.196 -2.187 1.00 . A A . 18 GLN C 1 1
1 246 1 1 18 GLN CA C -7.218 2.677 -2.153 1.00 . A A . 18 GLN CA 1 1
1 247 1 1 18 GLN CB C -8.271 3.519 -2.875 1.00 . A A . 18 GLN CB 1 1
1 248 1 1 18 GLN CD C -9.029 5.841 -3.534 1.00 . A A . 18 GLN CD 1 1
1 249 1 1 18 GLN CG C -7.982 5.005 -2.824 1.00 . A A . 18 GLN CG 1 1
1 250 1 1 18 GLN H H -5.795 2.753 -3.710 1.00 . A A . 18 GLN H 1 1
1 251 1 1 18 GLN HA H -7.166 2.995 -1.121 1.00 . A A . 18 GLN HA 1 1
1 252 1 1 18 GLN HB2 H -8.322 3.213 -3.908 1.00 . A A . 18 GLN HB2 1 1
1 253 1 1 18 GLN HB3 H -9.227 3.354 -2.408 1.00 . A A . 18 GLN HB3 1 1
1 254 1 1 18 GLN HE21 H -8.672 7.363 -2.308 1.00 . A A . 18 GLN HE21 1 1
1 255 1 1 18 GLN HE22 H -9.886 7.632 -3.507 1.00 . A A . 18 GLN HE22 1 1
1 256 1 1 18 GLN HG2 H -7.951 5.302 -1.791 1.00 . A A . 18 GLN HG2 1 1
1 257 1 1 18 GLN HG3 H -7.021 5.188 -3.282 1.00 . A A . 18 GLN HG3 1 1
1 258 1 1 18 GLN N N -5.908 2.892 -2.745 1.00 . A A . 18 GLN N 1 1
1 259 1 1 18 GLN NE2 N -9.214 7.069 -3.071 1.00 . A A . 18 GLN NE2 1 1
1 260 1 1 18 GLN O O -8.252 0.724 -3.113 1.00 . A A . 18 GLN O 1 1
1 261 1 1 18 GLN OE1 O -9.665 5.393 -4.488 1.00 . A A . 18 GLN OE1 1 1
1 262 1 1 19 SER C C -8.800 -1.197 -0.418 1.00 . A A . 19 SER C 1 1
1 263 1 1 19 SER CA C -7.421 -0.950 -1.025 1.00 . A A . 19 SER CA 1 1
1 264 1 1 19 SER CB C -6.383 -1.540 -0.114 1.00 . A A . 19 SER CB 1 1
1 265 1 1 19 SER H H -6.580 0.914 -0.500 1.00 . A A . 19 SER H 1 1
1 266 1 1 19 SER HA H -7.343 -1.440 -1.988 1.00 . A A . 19 SER HA 1 1
1 267 1 1 19 SER HB2 H -6.459 -1.067 0.850 1.00 . A A . 19 SER HB2 1 1
1 268 1 1 19 SER HB3 H -6.552 -2.599 -0.005 1.00 . A A . 19 SER HB3 1 1
1 269 1 1 19 SER HG H -4.604 -0.720 -0.037 1.00 . A A . 19 SER HG 1 1
1 270 1 1 19 SER N N -7.142 0.475 -1.173 1.00 . A A . 19 SER N 1 1
1 271 1 1 19 SER O O -9.572 -2.015 -0.916 1.00 . A A . 19 SER O 1 1
1 272 1 1 19 SER OG O -5.081 -1.317 -0.628 1.00 . A A . 19 SER OG 1 1
1 273 1 1 20 CYS C C -11.373 0.336 1.208 1.00 . A A . 20 CYS C 1 1
1 274 1 1 20 CYS CA C -10.316 -0.742 1.434 1.00 . A A . 20 CYS CA 1 1
1 275 1 1 20 CYS CB C -9.994 -0.872 2.928 1.00 . A A . 20 CYS CB 1 1
1 276 1 1 20 CYS H H -8.513 0.248 0.939 1.00 . A A . 20 CYS H 1 1
1 277 1 1 20 CYS HA H -10.708 -1.676 1.094 1.00 . A A . 20 CYS HA 1 1
1 278 1 1 20 CYS HB2 H -10.914 -1.030 3.470 1.00 . A A . 20 CYS HB2 1 1
1 279 1 1 20 CYS HB3 H -9.350 -1.725 3.074 1.00 . A A . 20 CYS HB3 1 1
1 280 1 1 20 CYS N N -9.105 -0.481 0.664 1.00 . A A . 20 CYS N 1 1
1 281 1 1 20 CYS O O -12.155 0.651 2.106 1.00 . A A . 20 CYS O 1 1
1 282 1 1 20 CYS SG S -9.167 0.575 3.663 1.00 . A A . 20 CYS SG 1 1
1 283 1 1 21 CYS C C -13.137 1.636 -1.556 1.00 . A A . 21 CYS C 1 1
1 284 1 1 21 CYS CA C -12.327 1.972 -0.309 1.00 . A A . 21 CYS CA 1 1
1 285 1 1 21 CYS CB C -11.563 3.285 -0.507 1.00 . A A . 21 CYS CB 1 1
1 286 1 1 21 CYS H H -10.797 0.566 -0.690 1.00 . A A . 21 CYS H 1 1
1 287 1 1 21 CYS HA H -13.003 2.082 0.525 1.00 . A A . 21 CYS HA 1 1
1 288 1 1 21 CYS HB2 H -10.895 3.179 -1.347 1.00 . A A . 21 CYS HB2 1 1
1 289 1 1 21 CYS HB3 H -12.270 4.075 -0.713 1.00 . A A . 21 CYS HB3 1 1
1 290 1 1 21 CYS N N -11.403 0.894 0.006 1.00 . A A . 21 CYS N 1 1
1 291 1 1 21 CYS O O -12.574 1.696 -2.665 1.00 . A A . 21 CYS O 1 1
1 292 1 1 21 CYS OXT O -14.333 1.306 -1.422 1.00 . A A . 21 CYS OXT 1 1
1 293 1 1 21 CYS SG S -10.564 3.791 0.933 1.00 . A A . 21 CYS SG 1 1
2 294 1 1 1 THR C C -0.928 -4.995 -0.469 1.00 . A A . 1 THR C 1 1
2 295 1 1 1 THR CA C -0.050 -6.246 -0.411 1.00 . A A . 1 THR CA 1 1
2 296 1 1 1 THR CB C 0.486 -6.462 1.023 1.00 . A A . 1 THR CB 1 1
2 297 1 1 1 THR CG2 C 1.574 -5.456 1.370 1.00 . A A . 1 THR CG2 1 1
2 298 1 1 1 THR H1 H 1.641 -7.008 -1.343 1.00 . A A . 1 THR H1 1 1
2 299 1 1 1 THR H2 H 1.651 -5.325 -1.177 1.00 . A A . 1 THR H2 1 1
2 300 1 1 1 THR H3 H 0.674 -6.055 -2.350 1.00 . A A . 1 THR H3 1 1
2 301 1 1 1 THR HA H -0.655 -7.101 -0.675 1.00 . A A . 1 THR HA 1 1
2 302 1 1 1 THR HB H 0.913 -7.454 1.077 1.00 . A A . 1 THR HB 1 1
2 303 1 1 1 THR HG1 H -0.393 -6.948 2.724 1.00 . A A . 1 THR HG1 1 1
2 304 1 1 1 THR HG21 H 2.403 -5.572 0.687 1.00 . A A . 1 THR HG21 1 1
2 305 1 1 1 THR HG22 H 1.914 -5.626 2.380 1.00 . A A . 1 THR HG22 1 1
2 306 1 1 1 THR HG23 H 1.178 -4.455 1.287 1.00 . A A . 1 THR HG23 1 1
2 307 1 1 1 THR N N 1.055 -6.153 -1.387 1.00 . A A . 1 THR N 1 1
2 308 1 1 1 THR O O -0.430 -3.876 -0.469 1.00 . A A . 1 THR O 1 1
2 309 1 1 1 THR OG1 O -0.582 -6.374 1.973 1.00 . A A . 1 THR OG1 1 1
2 310 1 1 2 ARG C C -3.695 -3.661 0.709 1.00 . A A . 2 ARG C 1 1
2 311 1 1 2 ARG CA C -3.224 -4.161 -0.665 1.00 . A A . 2 ARG CA 1 1
2 312 1 1 2 ARG CB C -4.414 -4.680 -1.495 1.00 . A A . 2 ARG CB 1 1
2 313 1 1 2 ARG CD C -4.541 -2.702 -2.975 1.00 . A A . 2 ARG CD 1 1
2 314 1 1 2 ARG CG C -5.314 -3.589 -2.044 1.00 . A A . 2 ARG CG 1 1
2 315 1 1 2 ARG CZ C -2.853 -3.508 -4.601 1.00 . A A . 2 ARG CZ 1 1
2 316 1 1 2 ARG H H -2.557 -6.128 -0.529 1.00 . A A . 2 ARG H 1 1
2 317 1 1 2 ARG HA H -2.758 -3.345 -1.185 1.00 . A A . 2 ARG HA 1 1
2 318 1 1 2 ARG HB2 H -4.036 -5.255 -2.325 1.00 . A A . 2 ARG HB2 1 1
2 319 1 1 2 ARG HB3 H -5.007 -5.314 -0.874 1.00 . A A . 2 ARG HB3 1 1
2 320 1 1 2 ARG HD2 H -5.150 -1.850 -3.242 1.00 . A A . 2 ARG HD2 1 1
2 321 1 1 2 ARG HD3 H -3.679 -2.376 -2.441 1.00 . A A . 2 ARG HD3 1 1
2 322 1 1 2 ARG HE H -4.829 -3.797 -4.743 1.00 . A A . 2 ARG HE 1 1
2 323 1 1 2 ARG HG2 H -6.149 -4.020 -2.568 1.00 . A A . 2 ARG HG2 1 1
2 324 1 1 2 ARG HG3 H -5.673 -2.995 -1.223 1.00 . A A . 2 ARG HG3 1 1
2 325 1 1 2 ARG HH11 H -2.042 -2.529 -3.011 1.00 . A A . 2 ARG HH11 1 1
2 326 1 1 2 ARG HH12 H -0.907 -3.086 -4.200 1.00 . A A . 2 ARG HH12 1 1
2 327 1 1 2 ARG HH21 H -3.331 -4.525 -6.287 1.00 . A A . 2 ARG HH21 1 1
2 328 1 1 2 ARG HH22 H -1.639 -4.224 -6.056 1.00 . A A . 2 ARG HH22 1 1
2 329 1 1 2 ARG N N -2.235 -5.213 -0.540 1.00 . A A . 2 ARG N 1 1
2 330 1 1 2 ARG NE N -4.120 -3.399 -4.190 1.00 . A A . 2 ARG NE 1 1
2 331 1 1 2 ARG NH1 N -1.856 -3.003 -3.879 1.00 . A A . 2 ARG NH1 1 1
2 332 1 1 2 ARG NH2 N -2.586 -4.137 -5.737 1.00 . A A . 2 ARG NH2 1 1
2 333 1 1 2 ARG O O -4.850 -3.302 0.862 1.00 . A A . 2 ARG O 1 1
2 334 1 1 3 ILE C C -3.976 -2.089 3.232 1.00 . A A . 3 ILE C 1 1
2 335 1 1 3 ILE CA C -3.198 -3.398 3.101 1.00 . A A . 3 ILE CA 1 1
2 336 1 1 3 ILE CB C -1.958 -3.323 4.009 1.00 . A A . 3 ILE CB 1 1
2 337 1 1 3 ILE CD1 C 0.594 -3.194 3.963 1.00 . A A . 3 ILE CD1 1 1
2 338 1 1 3 ILE CG1 C -0.688 -3.402 3.178 1.00 . A A . 3 ILE CG1 1 1
2 339 1 1 3 ILE CG2 C -1.984 -4.426 5.041 1.00 . A A . 3 ILE CG2 1 1
2 340 1 1 3 ILE H H -1.899 -3.961 1.528 1.00 . A A . 3 ILE H 1 1
2 341 1 1 3 ILE HA H -3.818 -4.193 3.452 1.00 . A A . 3 ILE HA 1 1
2 342 1 1 3 ILE HB H -1.981 -2.379 4.523 1.00 . A A . 3 ILE HB 1 1
2 343 1 1 3 ILE HD11 H 1.430 -3.108 3.279 1.00 . A A . 3 ILE HD11 1 1
2 344 1 1 3 ILE HD12 H 0.753 -4.035 4.621 1.00 . A A . 3 ILE HD12 1 1
2 345 1 1 3 ILE HD13 H 0.515 -2.290 4.549 1.00 . A A . 3 ILE HD13 1 1
2 346 1 1 3 ILE HG12 H -0.637 -4.374 2.714 1.00 . A A . 3 ILE HG12 1 1
2 347 1 1 3 ILE HG13 H -0.741 -2.651 2.415 1.00 . A A . 3 ILE HG13 1 1
2 348 1 1 3 ILE HG21 H -1.993 -5.380 4.539 1.00 . A A . 3 ILE HG21 1 1
2 349 1 1 3 ILE HG22 H -2.868 -4.327 5.651 1.00 . A A . 3 ILE HG22 1 1
2 350 1 1 3 ILE HG23 H -1.105 -4.351 5.660 1.00 . A A . 3 ILE HG23 1 1
2 351 1 1 3 ILE N N -2.821 -3.715 1.717 1.00 . A A . 3 ILE N 1 1
2 352 1 1 3 ILE O O -3.409 -1.014 3.406 1.00 . A A . 3 ILE O 1 1
2 353 1 1 4 CYS C C -5.942 0.100 2.581 1.00 . A A . 4 CYS C 1 1
2 354 1 1 4 CYS CA C -6.286 -1.179 3.360 1.00 . A A . 4 CYS CA 1 1
2 355 1 1 4 CYS CB C -6.589 -0.843 4.818 1.00 . A A . 4 CYS CB 1 1
2 356 1 1 4 CYS H H -5.607 -3.176 3.169 1.00 . A A . 4 CYS H 1 1
2 357 1 1 4 CYS HA H -7.194 -1.574 2.929 1.00 . A A . 4 CYS HA 1 1
2 358 1 1 4 CYS HB2 H -5.919 -1.395 5.461 1.00 . A A . 4 CYS HB2 1 1
2 359 1 1 4 CYS HB3 H -6.451 0.219 4.972 1.00 . A A . 4 CYS HB3 1 1
2 360 1 1 4 CYS N N -5.287 -2.257 3.253 1.00 . A A . 4 CYS N 1 1
2 361 1 1 4 CYS O O -5.044 0.136 1.744 1.00 . A A . 4 CYS O 1 1
2 362 1 1 4 CYS SG S -8.303 -1.254 5.293 1.00 . A A . 4 CYS SG 1 1
2 363 1 1 5 CYS C C -5.757 3.392 2.866 1.00 . A A . 5 CYS C 1 1
2 364 1 1 5 CYS CA C -6.606 2.385 2.114 1.00 . A A . 5 CYS CA 1 1
2 365 1 1 5 CYS CB C -8.008 2.930 1.900 1.00 . A A . 5 CYS CB 1 1
2 366 1 1 5 CYS H H -7.343 1.098 3.581 1.00 . A A . 5 CYS H 1 1
2 367 1 1 5 CYS HA H -6.159 2.178 1.159 1.00 . A A . 5 CYS HA 1 1
2 368 1 1 5 CYS HB2 H -8.596 2.191 1.378 1.00 . A A . 5 CYS HB2 1 1
2 369 1 1 5 CYS HB3 H -8.448 3.113 2.863 1.00 . A A . 5 CYS HB3 1 1
2 370 1 1 5 CYS N N -6.697 1.152 2.855 1.00 . A A . 5 CYS N 1 1
2 371 1 1 5 CYS O O -5.967 3.648 4.051 1.00 . A A . 5 CYS O 1 1
2 372 1 1 5 CYS SG S -8.096 4.471 0.944 1.00 . A A . 5 CYS SG 1 1
2 373 1 1 6 GLY C C -2.476 4.565 2.132 1.00 . A A . 6 GLY C 1 1
2 374 1 1 6 GLY CA C -3.819 4.820 2.757 1.00 . A A . 6 GLY CA 1 1
2 375 1 1 6 GLY H H -4.729 3.739 1.200 1.00 . A A . 6 GLY H 1 1
2 376 1 1 6 GLY HA2 H -4.108 5.848 2.593 1.00 . A A . 6 GLY HA2 1 1
2 377 1 1 6 GLY HA3 H -3.761 4.626 3.817 1.00 . A A . 6 GLY HA3 1 1
2 378 1 1 6 GLY N N -4.793 3.944 2.161 1.00 . A A . 6 GLY N 1 1
2 379 1 1 6 GLY O O -2.411 4.042 1.017 1.00 . A A . 6 GLY O 1 1
2 380 1 1 7 CYS C C 0.617 3.602 3.187 1.00 . A A . 7 CYS C 1 1
2 381 1 1 7 CYS CA C -0.087 4.616 2.297 1.00 . A A . 7 CYS CA 1 1
2 382 1 1 7 CYS CB C 0.744 5.901 2.198 1.00 . A A . 7 CYS CB 1 1
2 383 1 1 7 CYS H H -1.499 5.303 3.710 1.00 . A A . 7 CYS H 1 1
2 384 1 1 7 CYS HA H -0.205 4.192 1.319 1.00 . A A . 7 CYS HA 1 1
2 385 1 1 7 CYS HB2 H 1.036 6.201 3.194 1.00 . A A . 7 CYS HB2 1 1
2 386 1 1 7 CYS HB3 H 1.637 5.693 1.625 1.00 . A A . 7 CYS HB3 1 1
2 387 1 1 7 CYS N N -1.405 4.884 2.828 1.00 . A A . 7 CYS N 1 1
2 388 1 1 7 CYS O O 0.763 3.806 4.394 1.00 . A A . 7 CYS O 1 1
2 389 1 1 7 CYS SG S -0.088 7.343 1.419 1.00 . A A . 7 CYS SG 1 1
2 390 1 1 8 TYR C C 3.056 1.151 2.766 1.00 . A A . 8 TYR C 1 1
2 391 1 1 8 TYR CA C 1.678 1.433 3.331 1.00 . A A . 8 TYR CA 1 1
2 392 1 1 8 TYR CB C 0.827 0.156 3.318 1.00 . A A . 8 TYR CB 1 1
2 393 1 1 8 TYR CD1 C 1.057 -0.432 0.863 1.00 . A A . 8 TYR CD1 1 1
2 394 1 1 8 TYR CD2 C -1.121 -0.403 1.815 1.00 . A A . 8 TYR CD2 1 1
2 395 1 1 8 TYR CE1 C 0.521 -0.789 -0.362 1.00 . A A . 8 TYR CE1 1 1
2 396 1 1 8 TYR CE2 C -1.667 -0.759 0.599 1.00 . A A . 8 TYR CE2 1 1
2 397 1 1 8 TYR CG C 0.246 -0.232 1.970 1.00 . A A . 8 TYR CG 1 1
2 398 1 1 8 TYR CZ C -0.842 -0.947 -0.489 1.00 . A A . 8 TYR CZ 1 1
2 399 1 1 8 TYR H H 0.902 2.388 1.625 1.00 . A A . 8 TYR H 1 1
2 400 1 1 8 TYR HA H 1.787 1.766 4.353 1.00 . A A . 8 TYR HA 1 1
2 401 1 1 8 TYR HB2 H 1.444 -0.661 3.640 1.00 . A A . 8 TYR HB2 1 1
2 402 1 1 8 TYR HB3 H 0.007 0.272 4.012 1.00 . A A . 8 TYR HB3 1 1
2 403 1 1 8 TYR HD1 H 2.124 -0.310 0.970 1.00 . A A . 8 TYR HD1 1 1
2 404 1 1 8 TYR HD2 H -1.769 -0.266 2.672 1.00 . A A . 8 TYR HD2 1 1
2 405 1 1 8 TYR HE1 H 1.168 -0.938 -1.212 1.00 . A A . 8 TYR HE1 1 1
2 406 1 1 8 TYR HE2 H -2.737 -0.895 0.508 1.00 . A A . 8 TYR HE2 1 1
2 407 1 1 8 TYR HH H -1.799 -0.526 -2.106 1.00 . A A . 8 TYR HH 1 1
2 408 1 1 8 TYR N N 1.031 2.496 2.593 1.00 . A A . 8 TYR N 1 1
2 409 1 1 8 TYR O O 3.349 1.486 1.619 1.00 . A A . 8 TYR O 1 1
2 410 1 1 8 TYR OH O -1.380 -1.301 -1.709 1.00 . A A . 8 TYR OH 1 1
2 411 1 1 9 TRP C C 5.193 -1.219 2.518 1.00 . A A . 9 TRP C 1 1
2 412 1 1 9 TRP CA C 5.223 0.177 3.119 1.00 . A A . 9 TRP CA 1 1
2 413 1 1 9 TRP CB C 6.240 0.235 4.258 1.00 . A A . 9 TRP CB 1 1
2 414 1 1 9 TRP CD1 C 8.236 -1.299 3.846 1.00 . A A . 9 TRP CD1 1 1
2 415 1 1 9 TRP CD2 C 8.543 0.808 3.169 1.00 . A A . 9 TRP CD2 1 1
2 416 1 1 9 TRP CE2 C 9.699 0.069 2.870 1.00 . A A . 9 TRP CE2 1 1
2 417 1 1 9 TRP CE3 C 8.505 2.163 2.835 1.00 . A A . 9 TRP CE3 1 1
2 418 1 1 9 TRP CG C 7.620 -0.088 3.791 1.00 . A A . 9 TRP CG 1 1
2 419 1 1 9 TRP CH2 C 10.738 1.967 1.936 1.00 . A A . 9 TRP CH2 1 1
2 420 1 1 9 TRP CZ2 C 10.805 0.640 2.252 1.00 . A A . 9 TRP CZ2 1 1
2 421 1 1 9 TRP CZ3 C 9.604 2.727 2.222 1.00 . A A . 9 TRP CZ3 1 1
2 422 1 1 9 TRP H H 3.631 0.336 4.490 1.00 . A A . 9 TRP H 1 1
2 423 1 1 9 TRP HA H 5.516 0.878 2.352 1.00 . A A . 9 TRP HA 1 1
2 424 1 1 9 TRP HB2 H 6.248 1.227 4.681 1.00 . A A . 9 TRP HB2 1 1
2 425 1 1 9 TRP HB3 H 5.964 -0.478 5.020 1.00 . A A . 9 TRP HB3 1 1
2 426 1 1 9 TRP HD1 H 7.793 -2.190 4.263 1.00 . A A . 9 TRP HD1 1 1
2 427 1 1 9 TRP HE1 H 10.120 -1.967 3.197 1.00 . A A . 9 TRP HE1 1 1
2 428 1 1 9 TRP HE3 H 7.640 2.767 3.047 1.00 . A A . 9 TRP HE3 1 1
2 429 1 1 9 TRP HH2 H 11.571 2.451 1.458 1.00 . A A . 9 TRP HH2 1 1
2 430 1 1 9 TRP HZ2 H 11.689 0.067 2.019 1.00 . A A . 9 TRP HZ2 1 1
2 431 1 1 9 TRP HZ3 H 9.591 3.771 1.951 1.00 . A A . 9 TRP HZ3 1 1
2 432 1 1 9 TRP N N 3.904 0.548 3.573 1.00 . A A . 9 TRP N 1 1
2 433 1 1 9 TRP NE1 N 9.483 -1.217 3.287 1.00 . A A . 9 TRP NE1 1 1
2 434 1 1 9 TRP O O 5.141 -2.217 3.234 1.00 . A A . 9 TRP O 1 1
2 435 1 1 10 ASN C C 6.682 -2.936 0.174 1.00 . A A . 10 ASN C 1 1
2 436 1 1 10 ASN CA C 5.238 -2.548 0.498 1.00 . A A . 10 ASN CA 1 1
2 437 1 1 10 ASN CB C 4.415 -2.455 -0.791 1.00 . A A . 10 ASN CB 1 1
2 438 1 1 10 ASN CG C 4.218 -3.797 -1.470 1.00 . A A . 10 ASN CG 1 1
2 439 1 1 10 ASN H H 5.166 -0.450 0.688 1.00 . A A . 10 ASN H 1 1
2 440 1 1 10 ASN HA H 4.806 -3.302 1.141 1.00 . A A . 10 ASN HA 1 1
2 441 1 1 10 ASN HB2 H 3.443 -2.046 -0.558 1.00 . A A . 10 ASN HB2 1 1
2 442 1 1 10 ASN HB3 H 4.919 -1.794 -1.482 1.00 . A A . 10 ASN HB3 1 1
2 443 1 1 10 ASN HD21 H 5.922 -3.583 -2.470 1.00 . A A . 10 ASN HD21 1 1
2 444 1 1 10 ASN HD22 H 5.044 -5.042 -2.777 1.00 . A A . 10 ASN HD22 1 1
2 445 1 1 10 ASN N N 5.199 -1.279 1.201 1.00 . A A . 10 ASN N 1 1
2 446 1 1 10 ASN ND2 N 5.153 -4.178 -2.324 1.00 . A A . 10 ASN ND2 1 1
2 447 1 1 10 ASN O O 7.213 -2.578 -0.882 1.00 . A A . 10 ASN O 1 1
2 448 1 1 10 ASN OD1 O 3.228 -4.487 -1.226 1.00 . A A . 10 ASN OD1 1 1
2 449 1 1 11 GLY C C 9.765 -3.255 0.772 1.00 . A A . 11 GLY C 1 1
2 450 1 1 11 GLY CA C 8.616 -4.242 0.860 1.00 . A A . 11 GLY CA 1 1
2 451 1 1 11 GLY H H 6.888 -3.761 1.979 1.00 . A A . 11 GLY H 1 1
2 452 1 1 11 GLY HA2 H 8.829 -4.927 1.665 1.00 . A A . 11 GLY HA2 1 1
2 453 1 1 11 GLY HA3 H 8.572 -4.798 -0.059 1.00 . A A . 11 GLY HA3 1 1
2 454 1 1 11 GLY N N 7.313 -3.644 1.103 1.00 . A A . 11 GLY N 1 1
2 455 1 1 11 GLY O O 10.507 -3.080 1.736 1.00 . A A . 11 GLY O 1 1
2 456 1 1 12 SER C C 10.637 -0.335 -0.923 1.00 . A A . 12 SER C 1 1
2 457 1 1 12 SER CA C 11.079 -1.766 -0.616 1.00 . A A . 12 SER CA 1 1
2 458 1 1 12 SER CB C 11.917 -2.318 -1.766 1.00 . A A . 12 SER CB 1 1
2 459 1 1 12 SER H H 9.309 -2.795 -1.117 1.00 . A A . 12 SER H 1 1
2 460 1 1 12 SER HA H 11.679 -1.760 0.281 1.00 . A A . 12 SER HA 1 1
2 461 1 1 12 SER HB2 H 11.340 -2.286 -2.678 1.00 . A A . 12 SER HB2 1 1
2 462 1 1 12 SER HB3 H 12.801 -1.718 -1.881 1.00 . A A . 12 SER HB3 1 1
2 463 1 1 12 SER HG H 12.929 -3.682 -0.779 1.00 . A A . 12 SER HG 1 1
2 464 1 1 12 SER N N 9.946 -2.644 -0.390 1.00 . A A . 12 SER N 1 1
2 465 1 1 12 SER O O 11.467 0.527 -1.216 1.00 . A A . 12 SER O 1 1
2 466 1 1 12 SER OG O 12.301 -3.662 -1.515 1.00 . A A . 12 SER OG 1 1
2 467 1 1 13 LYS C C 7.490 1.516 -0.476 1.00 . A A . 13 LYS C 1 1
2 468 1 1 13 LYS CA C 8.806 1.239 -1.177 1.00 . A A . 13 LYS CA 1 1
2 469 1 1 13 LYS CB C 8.600 1.377 -2.679 1.00 . A A . 13 LYS CB 1 1
2 470 1 1 13 LYS CD C 7.301 0.568 -4.628 1.00 . A A . 13 LYS CD 1 1
2 471 1 1 13 LYS CE C 8.346 0.945 -5.664 1.00 . A A . 13 LYS CE 1 1
2 472 1 1 13 LYS CG C 7.912 0.184 -3.310 1.00 . A A . 13 LYS CG 1 1
2 473 1 1 13 LYS H H 8.719 -0.788 -0.559 1.00 . A A . 13 LYS H 1 1
2 474 1 1 13 LYS HA H 9.522 1.975 -0.864 1.00 . A A . 13 LYS HA 1 1
2 475 1 1 13 LYS HB2 H 7.984 2.252 -2.864 1.00 . A A . 13 LYS HB2 1 1
2 476 1 1 13 LYS HB3 H 9.560 1.511 -3.156 1.00 . A A . 13 LYS HB3 1 1
2 477 1 1 13 LYS HD2 H 6.711 -0.254 -5.000 1.00 . A A . 13 LYS HD2 1 1
2 478 1 1 13 LYS HD3 H 6.669 1.420 -4.446 1.00 . A A . 13 LYS HD3 1 1
2 479 1 1 13 LYS HE2 H 7.842 1.242 -6.571 1.00 . A A . 13 LYS HE2 1 1
2 480 1 1 13 LYS HE3 H 8.916 1.777 -5.286 1.00 . A A . 13 LYS HE3 1 1
2 481 1 1 13 LYS HG2 H 8.634 -0.601 -3.468 1.00 . A A . 13 LYS HG2 1 1
2 482 1 1 13 LYS HG3 H 7.131 -0.158 -2.651 1.00 . A A . 13 LYS HG3 1 1
2 483 1 1 13 LYS HZ1 H 9.870 -0.389 -5.148 1.00 . A A . 13 LYS HZ1 1 1
2 484 1 1 13 LYS HZ2 H 9.881 0.065 -6.777 1.00 . A A . 13 LYS HZ2 1 1
2 485 1 1 13 LYS HZ3 H 8.729 -1.037 -6.215 1.00 . A A . 13 LYS HZ3 1 1
2 486 1 1 13 LYS N N 9.336 -0.080 -0.848 1.00 . A A . 13 LYS N 1 1
2 487 1 1 13 LYS NZ N 9.270 -0.181 -5.971 1.00 . A A . 13 LYS NZ 1 1
2 488 1 1 13 LYS O O 6.707 0.603 -0.206 1.00 . A A . 13 LYS O 1 1
2 489 1 1 14 ASP C C 5.009 3.357 -0.822 1.00 . A A . 14 ASP C 1 1
2 490 1 1 14 ASP CA C 5.984 3.238 0.333 1.00 . A A . 14 ASP CA 1 1
2 491 1 1 14 ASP CB C 6.126 4.586 1.048 1.00 . A A . 14 ASP CB 1 1
2 492 1 1 14 ASP CG C 4.804 5.111 1.579 1.00 . A A . 14 ASP CG 1 1
2 493 1 1 14 ASP H H 7.977 3.443 -0.324 1.00 . A A . 14 ASP H 1 1
2 494 1 1 14 ASP HA H 5.619 2.498 1.029 1.00 . A A . 14 ASP HA 1 1
2 495 1 1 14 ASP HB2 H 6.806 4.473 1.879 1.00 . A A . 14 ASP HB2 1 1
2 496 1 1 14 ASP HB3 H 6.529 5.310 0.356 1.00 . A A . 14 ASP HB3 1 1
2 497 1 1 14 ASP N N 7.262 2.786 -0.182 1.00 . A A . 14 ASP N 1 1
2 498 1 1 14 ASP O O 5.243 4.107 -1.772 1.00 . A A . 14 ASP O 1 1
2 499 1 1 14 ASP OD1 O 4.446 4.783 2.729 1.00 . A A . 14 ASP OD1 1 1
2 500 1 1 14 ASP OD2 O 4.129 5.877 0.857 1.00 . A A . 14 ASP OD2 1 1
2 501 1 1 15 VAL C C 1.611 2.933 -1.281 1.00 . A A . 15 VAL C 1 1
2 502 1 1 15 VAL CA C 2.969 2.538 -1.814 1.00 . A A . 15 VAL CA 1 1
2 503 1 1 15 VAL CB C 2.893 1.123 -2.428 1.00 . A A . 15 VAL CB 1 1
2 504 1 1 15 VAL CG1 C 1.876 1.073 -3.557 1.00 . A A . 15 VAL CG1 1 1
2 505 1 1 15 VAL CG2 C 4.261 0.678 -2.923 1.00 . A A . 15 VAL CG2 1 1
2 506 1 1 15 VAL H H 3.763 2.097 0.073 1.00 . A A . 15 VAL H 1 1
2 507 1 1 15 VAL HA H 3.266 3.235 -2.585 1.00 . A A . 15 VAL HA 1 1
2 508 1 1 15 VAL HB H 2.576 0.438 -1.657 1.00 . A A . 15 VAL HB 1 1
2 509 1 1 15 VAL HG11 H 2.164 1.770 -4.330 1.00 . A A . 15 VAL HG11 1 1
2 510 1 1 15 VAL HG12 H 0.902 1.340 -3.177 1.00 . A A . 15 VAL HG12 1 1
2 511 1 1 15 VAL HG13 H 1.843 0.074 -3.966 1.00 . A A . 15 VAL HG13 1 1
2 512 1 1 15 VAL HG21 H 4.185 -0.309 -3.350 1.00 . A A . 15 VAL HG21 1 1
2 513 1 1 15 VAL HG22 H 4.955 0.661 -2.095 1.00 . A A . 15 VAL HG22 1 1
2 514 1 1 15 VAL HG23 H 4.615 1.369 -3.674 1.00 . A A . 15 VAL HG23 1 1
2 515 1 1 15 VAL N N 3.935 2.605 -0.747 1.00 . A A . 15 VAL N 1 1
2 516 1 1 15 VAL O O 1.066 2.290 -0.386 1.00 . A A . 15 VAL O 1 1
2 517 1 1 16 CYS C C -1.284 3.904 -2.316 1.00 . A A . 16 CYS C 1 1
2 518 1 1 16 CYS CA C -0.224 4.462 -1.381 1.00 . A A . 16 CYS CA 1 1
2 519 1 1 16 CYS CB C -0.301 5.986 -1.323 1.00 . A A . 16 CYS CB 1 1
2 520 1 1 16 CYS H H 1.613 4.536 -2.437 1.00 . A A . 16 CYS H 1 1
2 521 1 1 16 CYS HA H -0.407 4.068 -0.400 1.00 . A A . 16 CYS HA 1 1
2 522 1 1 16 CYS HB2 H 0.688 6.389 -1.176 1.00 . A A . 16 CYS HB2 1 1
2 523 1 1 16 CYS HB3 H -0.701 6.344 -2.256 1.00 . A A . 16 CYS HB3 1 1
2 524 1 1 16 CYS N N 1.092 4.016 -1.789 1.00 . A A . 16 CYS N 1 1
2 525 1 1 16 CYS O O -1.125 3.902 -3.537 1.00 . A A . 16 CYS O 1 1
2 526 1 1 16 CYS SG S -1.369 6.615 0.012 1.00 . A A . 16 CYS SG 1 1
2 527 1 1 17 SER C C -4.757 2.924 -1.782 1.00 . A A . 17 SER C 1 1
2 528 1 1 17 SER CA C -3.416 2.758 -2.482 1.00 . A A . 17 SER CA 1 1
2 529 1 1 17 SER CB C -3.111 1.264 -2.636 1.00 . A A . 17 SER CB 1 1
2 530 1 1 17 SER H H -2.458 3.523 -0.757 1.00 . A A . 17 SER H 1 1
2 531 1 1 17 SER HA H -3.468 3.212 -3.458 1.00 . A A . 17 SER HA 1 1
2 532 1 1 17 SER HB2 H -3.093 0.801 -1.661 1.00 . A A . 17 SER HB2 1 1
2 533 1 1 17 SER HB3 H -3.881 0.803 -3.237 1.00 . A A . 17 SER HB3 1 1
2 534 1 1 17 SER HG H -1.524 1.890 -3.606 1.00 . A A . 17 SER HG 1 1
2 535 1 1 17 SER N N -2.360 3.417 -1.731 1.00 . A A . 17 SER N 1 1
2 536 1 1 17 SER O O -4.817 3.114 -0.565 1.00 . A A . 17 SER O 1 1
2 537 1 1 17 SER OG O -1.857 1.051 -3.260 1.00 . A A . 17 SER OG 1 1
2 538 1 1 18 GLN C C -7.782 1.514 -2.047 1.00 . A A . 18 GLN C 1 1
2 539 1 1 18 GLN CA C -7.165 2.903 -2.004 1.00 . A A . 18 GLN CA 1 1
2 540 1 1 18 GLN CB C -8.011 3.907 -2.787 1.00 . A A . 18 GLN CB 1 1
2 541 1 1 18 GLN CD C -8.273 6.312 -3.525 1.00 . A A . 18 GLN CD 1 1
2 542 1 1 18 GLN CG C -7.487 5.325 -2.687 1.00 . A A . 18 GLN CG 1 1
2 543 1 1 18 GLN H H -5.712 2.782 -3.527 1.00 . A A . 18 GLN H 1 1
2 544 1 1 18 GLN HA H -7.096 3.218 -0.965 1.00 . A A . 18 GLN HA 1 1
2 545 1 1 18 GLN HB2 H -8.024 3.619 -3.827 1.00 . A A . 18 GLN HB2 1 1
2 546 1 1 18 GLN HB3 H -9.012 3.895 -2.405 1.00 . A A . 18 GLN HB3 1 1
2 547 1 1 18 GLN HE21 H -6.641 7.413 -3.787 1.00 . A A . 18 GLN HE21 1 1
2 548 1 1 18 GLN HE22 H -8.076 8.001 -4.554 1.00 . A A . 18 GLN HE22 1 1
2 549 1 1 18 GLN HG2 H -7.545 5.628 -1.658 1.00 . A A . 18 GLN HG2 1 1
2 550 1 1 18 GLN HG3 H -6.456 5.339 -3.009 1.00 . A A . 18 GLN HG3 1 1
2 551 1 1 18 GLN N N -5.826 2.858 -2.554 1.00 . A A . 18 GLN N 1 1
2 552 1 1 18 GLN NE2 N -7.597 7.345 -4.001 1.00 . A A . 18 GLN NE2 1 1
2 553 1 1 18 GLN O O -8.600 1.196 -2.908 1.00 . A A . 18 GLN O 1 1
2 554 1 1 18 GLN OE1 O -9.475 6.151 -3.738 1.00 . A A . 18 GLN OE1 1 1
2 555 1 1 19 SER C C -9.221 -0.709 -0.346 1.00 . A A . 19 SER C 1 1
2 556 1 1 19 SER CA C -7.833 -0.672 -0.981 1.00 . A A . 19 SER CA 1 1
2 557 1 1 19 SER CB C -6.867 -1.410 -0.103 1.00 . A A . 19 SER CB 1 1
2 558 1 1 19 SER H H -6.696 1.019 -0.457 1.00 . A A . 19 SER H 1 1
2 559 1 1 19 SER HA H -7.834 -1.141 -1.959 1.00 . A A . 19 SER HA 1 1
2 560 1 1 19 SER HB2 H -7.016 -1.108 0.918 1.00 . A A . 19 SER HB2 1 1
2 561 1 1 19 SER HB3 H -7.029 -2.471 -0.196 1.00 . A A . 19 SER HB3 1 1
2 562 1 1 19 SER HG H -4.958 -1.183 0.282 1.00 . A A . 19 SER HG 1 1
2 563 1 1 19 SER N N -7.366 0.696 -1.099 1.00 . A A . 19 SER N 1 1
2 564 1 1 19 SER O O -10.173 -1.236 -0.914 1.00 . A A . 19 SER O 1 1
2 565 1 1 19 SER OG O -5.538 -1.103 -0.488 1.00 . A A . 19 SER OG 1 1
2 566 1 1 20 CYS C C -11.367 1.149 1.394 1.00 . A A . 20 CYS C 1 1
2 567 1 1 20 CYS CA C -10.549 -0.124 1.623 1.00 . A A . 20 CYS CA 1 1
2 568 1 1 20 CYS CB C -10.219 -0.267 3.116 1.00 . A A . 20 CYS CB 1 1
2 569 1 1 20 CYS H H -8.533 0.342 1.204 1.00 . A A . 20 CYS H 1 1
2 570 1 1 20 CYS HA H -11.132 -0.975 1.309 1.00 . A A . 20 CYS HA 1 1
2 571 1 1 20 CYS HB2 H -9.682 0.609 3.442 1.00 . A A . 20 CYS HB2 1 1
2 572 1 1 20 CYS HB3 H -11.142 -0.344 3.673 1.00 . A A . 20 CYS HB3 1 1
2 573 1 1 20 CYS N N -9.317 -0.112 0.840 1.00 . A A . 20 CYS N 1 1
2 574 1 1 20 CYS O O -12.269 1.462 2.170 1.00 . A A . 20 CYS O 1 1
2 575 1 1 20 CYS SG S -9.199 -1.727 3.525 1.00 . A A . 20 CYS SG 1 1
2 576 1 1 21 CYS C C -12.695 2.826 -1.191 1.00 . A A . 21 CYS C 1 1
2 577 1 1 21 CYS CA C -11.789 3.094 -0.001 1.00 . A A . 21 CYS CA 1 1
2 578 1 1 21 CYS CB C -10.852 4.263 -0.318 1.00 . A A . 21 CYS CB 1 1
2 579 1 1 21 CYS H H -10.303 1.607 -0.236 1.00 . A A . 21 CYS H 1 1
2 580 1 1 21 CYS HA H -12.401 3.355 0.849 1.00 . A A . 21 CYS HA 1 1
2 581 1 1 21 CYS HB2 H -10.077 3.915 -0.973 1.00 . A A . 21 CYS HB2 1 1
2 582 1 1 21 CYS HB3 H -11.415 5.040 -0.815 1.00 . A A . 21 CYS HB3 1 1
2 583 1 1 21 CYS N N -11.043 1.888 0.340 1.00 . A A . 21 CYS N 1 1
2 584 1 1 21 CYS O O -12.233 2.977 -2.340 1.00 . A A . 21 CYS O 1 1
2 585 1 1 21 CYS OXT O -13.863 2.449 -0.967 1.00 . A A . 21 CYS OXT 1 1
2 586 1 1 21 CYS SG S -10.041 5.010 1.134 1.00 . A A . 21 CYS SG 1 1
3 587 1 1 1 THR C C -1.426 -5.044 -0.432 1.00 . A A . 1 THR C 1 1
3 588 1 1 1 THR CA C -0.398 -6.152 -0.684 1.00 . A A . 1 THR CA 1 1
3 589 1 1 1 THR CB C 0.175 -6.685 0.654 1.00 . A A . 1 THR CB 1 1
3 590 1 1 1 THR CG2 C 1.111 -5.675 1.303 1.00 . A A . 1 THR CG2 1 1
3 591 1 1 1 THR H1 H 1.367 -6.430 -1.744 1.00 . A A . 1 THR H1 1 1
3 592 1 1 1 THR H2 H 1.162 -4.860 -1.155 1.00 . A A . 1 THR H2 1 1
3 593 1 1 1 THR H3 H 0.272 -5.382 -2.492 1.00 . A A . 1 THR H3 1 1
3 594 1 1 1 THR HA H -0.901 -6.971 -1.180 1.00 . A A . 1 THR HA 1 1
3 595 1 1 1 THR HB H 0.740 -7.581 0.442 1.00 . A A . 1 THR HB 1 1
3 596 1 1 1 THR HG1 H -1.449 -7.694 1.154 1.00 . A A . 1 THR HG1 1 1
3 597 1 1 1 THR HG21 H 1.977 -5.531 0.672 1.00 . A A . 1 THR HG21 1 1
3 598 1 1 1 THR HG22 H 1.425 -6.044 2.268 1.00 . A A . 1 THR HG22 1 1
3 599 1 1 1 THR HG23 H 0.596 -4.735 1.426 1.00 . A A . 1 THR HG23 1 1
3 600 1 1 1 THR N N 0.675 -5.675 -1.579 1.00 . A A . 1 THR N 1 1
3 601 1 1 1 THR O O -1.075 -3.910 -0.118 1.00 . A A . 1 THR O 1 1
3 602 1 1 1 THR OG1 O -0.886 -7.021 1.559 1.00 . A A . 1 THR OG1 1 1
3 603 1 1 2 ARG C C -4.178 -3.988 0.888 1.00 . A A . 2 ARG C 1 1
3 604 1 1 2 ARG CA C -3.825 -4.490 -0.524 1.00 . A A . 2 ARG CA 1 1
3 605 1 1 2 ARG CB C -5.022 -5.194 -1.157 1.00 . A A . 2 ARG CB 1 1
3 606 1 1 2 ARG CD C -7.020 -4.934 -2.578 1.00 . A A . 2 ARG CD 1 1
3 607 1 1 2 ARG CG C -6.141 -4.273 -1.569 1.00 . A A . 2 ARG CG 1 1
3 608 1 1 2 ARG CZ C -9.145 -6.154 -2.267 1.00 . A A . 2 ARG CZ 1 1
3 609 1 1 2 ARG H H -2.899 -6.351 -0.740 1.00 . A A . 2 ARG H 1 1
3 610 1 1 2 ARG HA H -3.569 -3.637 -1.129 1.00 . A A . 2 ARG HA 1 1
3 611 1 1 2 ARG HB2 H -4.688 -5.726 -2.033 1.00 . A A . 2 ARG HB2 1 1
3 612 1 1 2 ARG HB3 H -5.419 -5.899 -0.453 1.00 . A A . 2 ARG HB3 1 1
3 613 1 1 2 ARG HD2 H -7.646 -4.192 -3.051 1.00 . A A . 2 ARG HD2 1 1
3 614 1 1 2 ARG HD3 H -6.371 -5.379 -3.300 1.00 . A A . 2 ARG HD3 1 1
3 615 1 1 2 ARG HE H -7.437 -6.561 -1.313 1.00 . A A . 2 ARG HE 1 1
3 616 1 1 2 ARG HG2 H -6.734 -4.034 -0.706 1.00 . A A . 2 ARG HG2 1 1
3 617 1 1 2 ARG HG3 H -5.722 -3.381 -1.991 1.00 . A A . 2 ARG HG3 1 1
3 618 1 1 2 ARG HH11 H -9.246 -4.654 -3.629 1.00 . A A . 2 ARG HH11 1 1
3 619 1 1 2 ARG HH12 H -10.723 -5.527 -3.375 1.00 . A A . 2 ARG HH12 1 1
3 620 1 1 2 ARG HH21 H -9.377 -7.696 -0.975 1.00 . A A . 2 ARG HH21 1 1
3 621 1 1 2 ARG HH22 H -10.805 -7.247 -1.855 1.00 . A A . 2 ARG HH22 1 1
3 622 1 1 2 ARG N N -2.696 -5.407 -0.564 1.00 . A A . 2 ARG N 1 1
3 623 1 1 2 ARG NE N -7.858 -5.971 -1.979 1.00 . A A . 2 ARG NE 1 1
3 624 1 1 2 ARG NH1 N -9.751 -5.383 -3.162 1.00 . A A . 2 ARG NH1 1 1
3 625 1 1 2 ARG NH2 N -9.828 -7.110 -1.653 1.00 . A A . 2 ARG NH2 1 1
3 626 1 1 2 ARG O O -5.355 -3.834 1.206 1.00 . A A . 2 ARG O 1 1
3 627 1 1 3 ILE C C -4.110 -1.989 3.186 1.00 . A A . 3 ILE C 1 1
3 628 1 1 3 ILE CA C -3.490 -3.388 3.133 1.00 . A A . 3 ILE CA 1 1
3 629 1 1 3 ILE CB C -2.221 -3.395 4.005 1.00 . A A . 3 ILE CB 1 1
3 630 1 1 3 ILE CD1 C 0.333 -3.313 3.891 1.00 . A A . 3 ILE CD1 1 1
3 631 1 1 3 ILE CG1 C -0.976 -3.440 3.131 1.00 . A A . 3 ILE CG1 1 1
3 632 1 1 3 ILE CG2 C -2.239 -4.560 4.963 1.00 . A A . 3 ILE CG2 1 1
3 633 1 1 3 ILE H H -2.268 -3.946 1.490 1.00 . A A . 3 ILE H 1 1
3 634 1 1 3 ILE HA H -4.185 -4.083 3.552 1.00 . A A . 3 ILE HA 1 1
3 635 1 1 3 ILE HB H -2.210 -2.487 4.578 1.00 . A A . 3 ILE HB 1 1
3 636 1 1 3 ILE HD11 H 1.155 -3.243 3.188 1.00 . A A . 3 ILE HD11 1 1
3 637 1 1 3 ILE HD12 H 0.470 -4.181 4.518 1.00 . A A . 3 ILE HD12 1 1
3 638 1 1 3 ILE HD13 H 0.310 -2.425 4.505 1.00 . A A . 3 ILE HD13 1 1
3 639 1 1 3 ILE HG12 H -0.963 -4.376 2.599 1.00 . A A . 3 ILE HG12 1 1
3 640 1 1 3 ILE HG13 H -1.030 -2.634 2.424 1.00 . A A . 3 ILE HG13 1 1
3 641 1 1 3 ILE HG21 H -3.081 -4.465 5.630 1.00 . A A . 3 ILE HG21 1 1
3 642 1 1 3 ILE HG22 H -1.323 -4.562 5.532 1.00 . A A . 3 ILE HG22 1 1
3 643 1 1 3 ILE HG23 H -2.321 -5.477 4.405 1.00 . A A . 3 ILE HG23 1 1
3 644 1 1 3 ILE N N -3.195 -3.818 1.767 1.00 . A A . 3 ILE N 1 1
3 645 1 1 3 ILE O O -3.426 -0.991 3.350 1.00 . A A . 3 ILE O 1 1
3 646 1 1 4 CYS C C -5.812 0.453 2.539 1.00 . A A . 4 CYS C 1 1
3 647 1 1 4 CYS CA C -6.276 -0.792 3.312 1.00 . A A . 4 CYS CA 1 1
3 648 1 1 4 CYS CB C -6.501 -0.479 4.785 1.00 . A A . 4 CYS CB 1 1
3 649 1 1 4 CYS H H -5.869 -2.850 3.045 1.00 . A A . 4 CYS H 1 1
3 650 1 1 4 CYS HA H -7.235 -1.068 2.901 1.00 . A A . 4 CYS HA 1 1
3 651 1 1 4 CYS HB2 H -5.577 -0.619 5.330 1.00 . A A . 4 CYS HB2 1 1
3 652 1 1 4 CYS HB3 H -6.836 0.541 4.890 1.00 . A A . 4 CYS HB3 1 1
3 653 1 1 4 CYS N N -5.430 -1.987 3.174 1.00 . A A . 4 CYS N 1 1
3 654 1 1 4 CYS O O -4.899 0.410 1.715 1.00 . A A . 4 CYS O 1 1
3 655 1 1 4 CYS SG S -7.763 -1.565 5.515 1.00 . A A . 4 CYS SG 1 1
3 656 1 1 5 CYS C C -5.337 3.720 2.795 1.00 . A A . 5 CYS C 1 1
3 657 1 1 5 CYS CA C -6.259 2.785 2.037 1.00 . A A . 5 CYS CA 1 1
3 658 1 1 5 CYS CB C -7.584 3.484 1.756 1.00 . A A . 5 CYS CB 1 1
3 659 1 1 5 CYS H H -7.183 1.558 3.483 1.00 . A A . 5 CYS H 1 1
3 660 1 1 5 CYS HA H -5.802 2.523 1.103 1.00 . A A . 5 CYS HA 1 1
3 661 1 1 5 CYS HB2 H -8.060 3.708 2.693 1.00 . A A . 5 CYS HB2 1 1
3 662 1 1 5 CYS HB3 H -7.397 4.402 1.219 1.00 . A A . 5 CYS HB3 1 1
3 663 1 1 5 CYS N N -6.491 1.563 2.787 1.00 . A A . 5 CYS N 1 1
3 664 1 1 5 CYS O O -5.280 3.704 4.027 1.00 . A A . 5 CYS O 1 1
3 665 1 1 5 CYS SG S -8.739 2.482 0.770 1.00 . A A . 5 CYS SG 1 1
3 666 1 1 6 GLY C C -2.252 5.012 2.044 1.00 . A A . 6 GLY C 1 1
3 667 1 1 6 GLY CA C -3.597 5.367 2.618 1.00 . A A . 6 GLY CA 1 1
3 668 1 1 6 GLY H H -4.762 4.541 1.073 1.00 . A A . 6 GLY H 1 1
3 669 1 1 6 GLY HA2 H -3.821 6.399 2.395 1.00 . A A . 6 GLY HA2 1 1
3 670 1 1 6 GLY HA3 H -3.576 5.225 3.687 1.00 . A A . 6 GLY HA3 1 1
3 671 1 1 6 GLY N N -4.614 4.526 2.044 1.00 . A A . 6 GLY N 1 1
3 672 1 1 6 GLY O O -2.159 4.647 0.872 1.00 . A A . 6 GLY O 1 1
3 673 1 1 7 CYS C C 0.693 3.650 3.305 1.00 . A A . 7 CYS C 1 1
3 674 1 1 7 CYS CA C 0.113 4.733 2.405 1.00 . A A . 7 CYS CA 1 1
3 675 1 1 7 CYS CB C 1.013 5.965 2.411 1.00 . A A . 7 CYS CB 1 1
3 676 1 1 7 CYS H H -1.351 5.394 3.777 1.00 . A A . 7 CYS H 1 1
3 677 1 1 7 CYS HA H 0.037 4.355 1.396 1.00 . A A . 7 CYS HA 1 1
3 678 1 1 7 CYS HB2 H 1.119 6.319 3.425 1.00 . A A . 7 CYS HB2 1 1
3 679 1 1 7 CYS HB3 H 1.985 5.695 2.025 1.00 . A A . 7 CYS HB3 1 1
3 680 1 1 7 CYS N N -1.218 5.092 2.853 1.00 . A A . 7 CYS N 1 1
3 681 1 1 7 CYS O O 0.753 3.815 4.524 1.00 . A A . 7 CYS O 1 1
3 682 1 1 7 CYS SG S 0.381 7.350 1.404 1.00 . A A . 7 CYS SG 1 1
3 683 1 1 8 TYR C C 3.075 1.124 2.910 1.00 . A A . 8 TYR C 1 1
3 684 1 1 8 TYR CA C 1.698 1.452 3.461 1.00 . A A . 8 TYR CA 1 1
3 685 1 1 8 TYR CB C 0.811 0.198 3.438 1.00 . A A . 8 TYR CB 1 1
3 686 1 1 8 TYR CD1 C 1.032 -0.322 0.962 1.00 . A A . 8 TYR CD1 1 1
3 687 1 1 8 TYR CD2 C -1.127 -0.423 1.946 1.00 . A A . 8 TYR CD2 1 1
3 688 1 1 8 TYR CE1 C 0.493 -0.679 -0.262 1.00 . A A . 8 TYR CE1 1 1
3 689 1 1 8 TYR CE2 C -1.673 -0.781 0.731 1.00 . A A . 8 TYR CE2 1 1
3 690 1 1 8 TYR CG C 0.231 -0.185 2.086 1.00 . A A . 8 TYR CG 1 1
3 691 1 1 8 TYR CZ C -0.861 -0.907 -0.371 1.00 . A A . 8 TYR CZ 1 1
3 692 1 1 8 TYR H H 0.980 2.436 1.741 1.00 . A A . 8 TYR H 1 1
3 693 1 1 8 TYR HA H 1.807 1.783 4.483 1.00 . A A . 8 TYR HA 1 1
3 694 1 1 8 TYR HB2 H 1.399 -0.635 3.770 1.00 . A A . 8 TYR HB2 1 1
3 695 1 1 8 TYR HB3 H -0.012 0.342 4.123 1.00 . A A . 8 TYR HB3 1 1
3 696 1 1 8 TYR HD1 H 2.092 -0.145 1.055 1.00 . A A . 8 TYR HD1 1 1
3 697 1 1 8 TYR HD2 H -1.768 -0.336 2.815 1.00 . A A . 8 TYR HD2 1 1
3 698 1 1 8 TYR HE1 H 1.134 -0.780 -1.124 1.00 . A A . 8 TYR HE1 1 1
3 699 1 1 8 TYR HE2 H -2.737 -0.967 0.653 1.00 . A A . 8 TYR HE2 1 1
3 700 1 1 8 TYR HH H -2.280 -0.872 -1.671 1.00 . A A . 8 TYR HH 1 1
3 701 1 1 8 TYR N N 1.093 2.536 2.712 1.00 . A A . 8 TYR N 1 1
3 702 1 1 8 TYR O O 3.351 1.354 1.736 1.00 . A A . 8 TYR O 1 1
3 703 1 1 8 TYR OH O -1.403 -1.262 -1.586 1.00 . A A . 8 TYR OH 1 1
3 704 1 1 9 TRP C C 5.140 -1.242 2.707 1.00 . A A . 9 TRP C 1 1
3 705 1 1 9 TRP CA C 5.245 0.159 3.290 1.00 . A A . 9 TRP CA 1 1
3 706 1 1 9 TRP CB C 6.287 0.181 4.408 1.00 . A A . 9 TRP CB 1 1
3 707 1 1 9 TRP CD1 C 8.171 -1.475 3.919 1.00 . A A . 9 TRP CD1 1 1
3 708 1 1 9 TRP CD2 C 8.634 0.635 3.339 1.00 . A A . 9 TRP CD2 1 1
3 709 1 1 9 TRP CE2 C 9.734 -0.175 3.002 1.00 . A A . 9 TRP CE2 1 1
3 710 1 1 9 TRP CE3 C 8.699 2.005 3.069 1.00 . A A . 9 TRP CE3 1 1
3 711 1 1 9 TRP CG C 7.644 -0.220 3.919 1.00 . A A . 9 TRP CG 1 1
3 712 1 1 9 TRP CH2 C 10.914 1.687 2.155 1.00 . A A . 9 TRP CH2 1 1
3 713 1 1 9 TRP CZ2 C 10.881 0.343 2.406 1.00 . A A . 9 TRP CZ2 1 1
3 714 1 1 9 TRP CZ3 C 9.838 2.515 2.481 1.00 . A A . 9 TRP CZ3 1 1
3 715 1 1 9 TRP H H 3.707 0.503 4.702 1.00 . A A . 9 TRP H 1 1
3 716 1 1 9 TRP HA H 5.557 0.833 2.508 1.00 . A A . 9 TRP HA 1 1
3 717 1 1 9 TRP HB2 H 6.355 1.177 4.815 1.00 . A A . 9 TRP HB2 1 1
3 718 1 1 9 TRP HB3 H 5.993 -0.507 5.188 1.00 . A A . 9 TRP HB3 1 1
3 719 1 1 9 TRP HD1 H 7.660 -2.347 4.297 1.00 . A A . 9 TRP HD1 1 1
3 720 1 1 9 TRP HE1 H 10.001 -2.250 3.236 1.00 . A A . 9 TRP HE1 1 1
3 721 1 1 9 TRP HE3 H 7.880 2.661 3.312 1.00 . A A . 9 TRP HE3 1 1
3 722 1 1 9 TRP HH2 H 11.782 2.131 1.699 1.00 . A A . 9 TRP HH2 1 1
3 723 1 1 9 TRP HZ2 H 11.722 -0.282 2.145 1.00 . A A . 9 TRP HZ2 1 1
3 724 1 1 9 TRP HZ3 H 9.904 3.572 2.264 1.00 . A A . 9 TRP HZ3 1 1
3 725 1 1 9 TRP N N 3.945 0.597 3.753 1.00 . A A . 9 TRP N 1 1
3 726 1 1 9 TRP NE1 N 9.422 -1.462 3.360 1.00 . A A . 9 TRP NE1 1 1
3 727 1 1 9 TRP O O 5.096 -2.233 3.442 1.00 . A A . 9 TRP O 1 1
3 728 1 1 10 ASN C C 6.453 -2.964 0.232 1.00 . A A . 10 ASN C 1 1
3 729 1 1 10 ASN CA C 5.045 -2.583 0.692 1.00 . A A . 10 ASN CA 1 1
3 730 1 1 10 ASN CB C 4.097 -2.508 -0.511 1.00 . A A . 10 ASN CB 1 1
3 731 1 1 10 ASN CG C 3.968 -3.832 -1.244 1.00 . A A . 10 ASN CG 1 1
3 732 1 1 10 ASN H H 5.008 -0.484 0.873 1.00 . A A . 10 ASN H 1 1
3 733 1 1 10 ASN HA H 4.686 -3.335 1.378 1.00 . A A . 10 ASN HA 1 1
3 734 1 1 10 ASN HB2 H 3.117 -2.215 -0.167 1.00 . A A . 10 ASN HB2 1 1
3 735 1 1 10 ASN HB3 H 4.465 -1.767 -1.204 1.00 . A A . 10 ASN HB3 1 1
3 736 1 1 10 ASN HD21 H 5.451 -3.338 -2.473 1.00 . A A . 10 ASN HD21 1 1
3 737 1 1 10 ASN HD22 H 4.728 -4.884 -2.741 1.00 . A A . 10 ASN HD22 1 1
3 738 1 1 10 ASN N N 5.065 -1.312 1.391 1.00 . A A . 10 ASN N 1 1
3 739 1 1 10 ASN ND2 N 4.798 -4.040 -2.253 1.00 . A A . 10 ASN ND2 1 1
3 740 1 1 10 ASN O O 6.879 -2.601 -0.867 1.00 . A A . 10 ASN O 1 1
3 741 1 1 10 ASN OD1 O 3.124 -4.658 -0.907 1.00 . A A . 10 ASN OD1 1 1
3 742 1 1 11 GLY C C 9.555 -3.260 0.439 1.00 . A A . 11 GLY C 1 1
3 743 1 1 11 GLY CA C 8.452 -4.258 0.743 1.00 . A A . 11 GLY CA 1 1
3 744 1 1 11 GLY H H 6.822 -3.795 2.007 1.00 . A A . 11 GLY H 1 1
3 745 1 1 11 GLY HA2 H 8.778 -4.881 1.560 1.00 . A A . 11 GLY HA2 1 1
3 746 1 1 11 GLY HA3 H 8.308 -4.883 -0.121 1.00 . A A . 11 GLY HA3 1 1
3 747 1 1 11 GLY N N 7.170 -3.670 1.099 1.00 . A A . 11 GLY N 1 1
3 748 1 1 11 GLY O O 10.389 -2.969 1.293 1.00 . A A . 11 GLY O 1 1
3 749 1 1 12 SER C C 10.394 -0.444 -1.155 1.00 . A A . 12 SER C 1 1
3 750 1 1 12 SER CA C 10.684 -1.938 -1.252 1.00 . A A . 12 SER CA 1 1
3 751 1 1 12 SER CB C 11.001 -2.313 -2.699 1.00 . A A . 12 SER CB 1 1
3 752 1 1 12 SER H H 8.818 -2.920 -1.383 1.00 . A A . 12 SER H 1 1
3 753 1 1 12 SER HA H 11.543 -2.164 -0.640 1.00 . A A . 12 SER HA 1 1
3 754 1 1 12 SER HB2 H 11.701 -1.599 -3.109 1.00 . A A . 12 SER HB2 1 1
3 755 1 1 12 SER HB3 H 11.435 -3.301 -2.726 1.00 . A A . 12 SER HB3 1 1
3 756 1 1 12 SER HG H 10.050 -2.058 -4.397 1.00 . A A . 12 SER HG 1 1
3 757 1 1 12 SER N N 9.573 -2.749 -0.781 1.00 . A A . 12 SER N 1 1
3 758 1 1 12 SER O O 11.312 0.376 -1.194 1.00 . A A . 12 SER O 1 1
3 759 1 1 12 SER OG O 9.823 -2.309 -3.493 1.00 . A A . 12 SER OG 1 1
3 760 1 1 13 LYS C C 7.424 1.552 -0.329 1.00 . A A . 13 LYS C 1 1
3 761 1 1 13 LYS CA C 8.745 1.321 -1.033 1.00 . A A . 13 LYS CA 1 1
3 762 1 1 13 LYS CB C 8.666 1.843 -2.467 1.00 . A A . 13 LYS CB 1 1
3 763 1 1 13 LYS CD C 8.325 1.188 -4.854 1.00 . A A . 13 LYS CD 1 1
3 764 1 1 13 LYS CE C 7.926 2.581 -5.320 1.00 . A A . 13 LYS CE 1 1
3 765 1 1 13 LYS CG C 7.926 0.921 -3.420 1.00 . A A . 13 LYS CG 1 1
3 766 1 1 13 LYS H H 8.433 -0.772 -0.924 1.00 . A A . 13 LYS H 1 1
3 767 1 1 13 LYS HA H 9.515 1.865 -0.514 1.00 . A A . 13 LYS HA 1 1
3 768 1 1 13 LYS HB2 H 8.153 2.794 -2.460 1.00 . A A . 13 LYS HB2 1 1
3 769 1 1 13 LYS HB3 H 9.668 1.985 -2.843 1.00 . A A . 13 LYS HB3 1 1
3 770 1 1 13 LYS HD2 H 9.395 1.093 -4.919 1.00 . A A . 13 LYS HD2 1 1
3 771 1 1 13 LYS HD3 H 7.857 0.453 -5.491 1.00 . A A . 13 LYS HD3 1 1
3 772 1 1 13 LYS HE2 H 8.345 3.308 -4.639 1.00 . A A . 13 LYS HE2 1 1
3 773 1 1 13 LYS HE3 H 8.328 2.745 -6.309 1.00 . A A . 13 LYS HE3 1 1
3 774 1 1 13 LYS HG2 H 8.173 -0.100 -3.182 1.00 . A A . 13 LYS HG2 1 1
3 775 1 1 13 LYS HG3 H 6.863 1.077 -3.313 1.00 . A A . 13 LYS HG3 1 1
3 776 1 1 13 LYS HZ1 H 6.044 2.647 -4.415 1.00 . A A . 13 LYS HZ1 1 1
3 777 1 1 13 LYS HZ2 H 6.022 2.049 -5.994 1.00 . A A . 13 LYS HZ2 1 1
3 778 1 1 13 LYS HZ3 H 6.211 3.706 -5.719 1.00 . A A . 13 LYS HZ3 1 1
3 779 1 1 13 LYS N N 9.125 -0.084 -1.029 1.00 . A A . 13 LYS N 1 1
3 780 1 1 13 LYS NZ N 6.449 2.757 -5.363 1.00 . A A . 13 LYS NZ 1 1
3 781 1 1 13 LYS O O 6.631 0.629 -0.138 1.00 . A A . 13 LYS O 1 1
3 782 1 1 14 ASP C C 4.950 3.455 -0.474 1.00 . A A . 14 ASP C 1 1
3 783 1 1 14 ASP CA C 5.947 3.209 0.645 1.00 . A A . 14 ASP CA 1 1
3 784 1 1 14 ASP CB C 6.136 4.471 1.486 1.00 . A A . 14 ASP CB 1 1
3 785 1 1 14 ASP CG C 4.879 4.873 2.227 1.00 . A A . 14 ASP CG 1 1
3 786 1 1 14 ASP H H 7.914 3.467 -0.061 1.00 . A A . 14 ASP H 1 1
3 787 1 1 14 ASP HA H 5.587 2.408 1.272 1.00 . A A . 14 ASP HA 1 1
3 788 1 1 14 ASP HB2 H 6.918 4.300 2.210 1.00 . A A . 14 ASP HB2 1 1
3 789 1 1 14 ASP HB3 H 6.425 5.286 0.838 1.00 . A A . 14 ASP HB3 1 1
3 790 1 1 14 ASP N N 7.206 2.797 0.060 1.00 . A A . 14 ASP N 1 1
3 791 1 1 14 ASP O O 5.145 4.337 -1.312 1.00 . A A . 14 ASP O 1 1
3 792 1 1 14 ASP OD1 O 4.682 4.406 3.368 1.00 . A A . 14 ASP OD1 1 1
3 793 1 1 14 ASP OD2 O 4.094 5.674 1.683 1.00 . A A . 14 ASP OD2 1 1
3 794 1 1 15 VAL C C 1.591 3.087 -1.097 1.00 . A A . 15 VAL C 1 1
3 795 1 1 15 VAL CA C 2.958 2.662 -1.589 1.00 . A A . 15 VAL CA 1 1
3 796 1 1 15 VAL CB C 2.853 1.265 -2.241 1.00 . A A . 15 VAL CB 1 1
3 797 1 1 15 VAL CG1 C 1.888 1.280 -3.417 1.00 . A A . 15 VAL CG1 1 1
3 798 1 1 15 VAL CG2 C 4.222 0.770 -2.682 1.00 . A A . 15 VAL CG2 1 1
3 799 1 1 15 VAL H H 3.724 2.081 0.269 1.00 . A A . 15 VAL H 1 1
3 800 1 1 15 VAL HA H 3.302 3.365 -2.333 1.00 . A A . 15 VAL HA 1 1
3 801 1 1 15 VAL HB H 2.472 0.578 -1.501 1.00 . A A . 15 VAL HB 1 1
3 802 1 1 15 VAL HG11 H 2.238 1.979 -4.163 1.00 . A A . 15 VAL HG11 1 1
3 803 1 1 15 VAL HG12 H 0.907 1.579 -3.076 1.00 . A A . 15 VAL HG12 1 1
3 804 1 1 15 VAL HG13 H 1.832 0.292 -3.849 1.00 . A A . 15 VAL HG13 1 1
3 805 1 1 15 VAL HG21 H 4.126 -0.216 -3.112 1.00 . A A . 15 VAL HG21 1 1
3 806 1 1 15 VAL HG22 H 4.884 0.730 -1.828 1.00 . A A . 15 VAL HG22 1 1
3 807 1 1 15 VAL HG23 H 4.629 1.446 -3.420 1.00 . A A . 15 VAL HG23 1 1
3 808 1 1 15 VAL N N 3.897 2.663 -0.496 1.00 . A A . 15 VAL N 1 1
3 809 1 1 15 VAL O O 1.001 2.454 -0.223 1.00 . A A . 15 VAL O 1 1
3 810 1 1 16 CYS C C -1.202 4.078 -2.357 1.00 . A A . 16 CYS C 1 1
3 811 1 1 16 CYS CA C -0.231 4.635 -1.328 1.00 . A A . 16 CYS CA 1 1
3 812 1 1 16 CYS CB C -0.304 6.157 -1.305 1.00 . A A . 16 CYS CB 1 1
3 813 1 1 16 CYS H H 1.693 4.711 -2.214 1.00 . A A . 16 CYS H 1 1
3 814 1 1 16 CYS HA H -0.503 4.251 -0.358 1.00 . A A . 16 CYS HA 1 1
3 815 1 1 16 CYS HB2 H -0.334 6.515 -2.313 1.00 . A A . 16 CYS HB2 1 1
3 816 1 1 16 CYS HB3 H -1.210 6.455 -0.799 1.00 . A A . 16 CYS HB3 1 1
3 817 1 1 16 CYS N N 1.115 4.182 -1.627 1.00 . A A . 16 CYS N 1 1
3 818 1 1 16 CYS O O -0.862 3.943 -3.537 1.00 . A A . 16 CYS O 1 1
3 819 1 1 16 CYS SG S 1.095 6.964 -0.455 1.00 . A A . 16 CYS SG 1 1
3 820 1 1 17 SER C C -4.724 2.993 -1.988 1.00 . A A . 17 SER C 1 1
3 821 1 1 17 SER CA C -3.396 3.098 -2.736 1.00 . A A . 17 SER CA 1 1
3 822 1 1 17 SER CB C -2.898 1.697 -3.122 1.00 . A A . 17 SER CB 1 1
3 823 1 1 17 SER H H -2.634 3.997 -0.978 1.00 . A A . 17 SER H 1 1
3 824 1 1 17 SER HA H -3.537 3.687 -3.630 1.00 . A A . 17 SER HA 1 1
3 825 1 1 17 SER HB2 H -1.884 1.767 -3.485 1.00 . A A . 17 SER HB2 1 1
3 826 1 1 17 SER HB3 H -2.924 1.057 -2.252 1.00 . A A . 17 SER HB3 1 1
3 827 1 1 17 SER HG H -4.065 0.279 -3.820 1.00 . A A . 17 SER HG 1 1
3 828 1 1 17 SER N N -2.403 3.761 -1.903 1.00 . A A . 17 SER N 1 1
3 829 1 1 17 SER O O -4.752 2.979 -0.754 1.00 . A A . 17 SER O 1 1
3 830 1 1 17 SER OG O -3.702 1.118 -4.136 1.00 . A A . 17 SER OG 1 1
3 831 1 1 18 GLN C C -7.547 1.310 -2.107 1.00 . A A . 18 GLN C 1 1
3 832 1 1 18 GLN CA C -7.138 2.780 -2.128 1.00 . A A . 18 GLN CA 1 1
3 833 1 1 18 GLN CB C -8.168 3.628 -2.875 1.00 . A A . 18 GLN CB 1 1
3 834 1 1 18 GLN CD C -8.912 5.963 -3.520 1.00 . A A . 18 GLN CD 1 1
3 835 1 1 18 GLN CG C -7.905 5.116 -2.764 1.00 . A A . 18 GLN CG 1 1
3 836 1 1 18 GLN H H -5.742 2.963 -3.709 1.00 . A A . 18 GLN H 1 1
3 837 1 1 18 GLN HA H -7.070 3.130 -1.106 1.00 . A A . 18 GLN HA 1 1
3 838 1 1 18 GLN HB2 H -8.163 3.355 -3.920 1.00 . A A . 18 GLN HB2 1 1
3 839 1 1 18 GLN HB3 H -9.143 3.434 -2.462 1.00 . A A . 18 GLN HB3 1 1
3 840 1 1 18 GLN HE21 H -9.144 4.543 -4.889 1.00 . A A . 18 GLN HE21 1 1
3 841 1 1 18 GLN HE22 H -10.091 5.970 -5.117 1.00 . A A . 18 GLN HE22 1 1
3 842 1 1 18 GLN HG2 H -7.951 5.384 -1.723 1.00 . A A . 18 GLN HG2 1 1
3 843 1 1 18 GLN HG3 H -6.917 5.325 -3.147 1.00 . A A . 18 GLN HG3 1 1
3 844 1 1 18 GLN N N -5.822 2.925 -2.729 1.00 . A A . 18 GLN N 1 1
3 845 1 1 18 GLN NE2 N -9.432 5.441 -4.619 1.00 . A A . 18 GLN NE2 1 1
3 846 1 1 18 GLN O O -8.329 0.849 -2.935 1.00 . A A . 18 GLN O 1 1
3 847 1 1 18 GLN OE1 O -9.213 7.087 -3.120 1.00 . A A . 18 GLN OE1 1 1
3 848 1 1 19 SER C C -8.519 -1.169 -0.290 1.00 . A A . 19 SER C 1 1
3 849 1 1 19 SER CA C -7.199 -0.841 -1.002 1.00 . A A . 19 SER CA 1 1
3 850 1 1 19 SER CB C -6.026 -1.386 -0.216 1.00 . A A . 19 SER CB 1 1
3 851 1 1 19 SER H H -6.427 1.052 -0.487 1.00 . A A . 19 SER H 1 1
3 852 1 1 19 SER HA H -7.198 -1.298 -1.983 1.00 . A A . 19 SER HA 1 1
3 853 1 1 19 SER HB2 H -6.133 -1.101 0.814 1.00 . A A . 19 SER HB2 1 1
3 854 1 1 19 SER HB3 H -6.005 -2.457 -0.291 1.00 . A A . 19 SER HB3 1 1
3 855 1 1 19 SER HG H -4.376 -0.346 -0.011 1.00 . A A . 19 SER HG 1 1
3 856 1 1 19 SER N N -7.002 0.595 -1.138 1.00 . A A . 19 SER N 1 1
3 857 1 1 19 SER O O -9.361 -1.891 -0.824 1.00 . A A . 19 SER O 1 1
3 858 1 1 19 SER OG O -4.799 -0.868 -0.708 1.00 . A A . 19 SER OG 1 1
3 859 1 1 20 CYS C C -11.016 0.128 1.352 1.00 . A A . 20 CYS C 1 1
3 860 1 1 20 CYS CA C -9.914 -0.868 1.703 1.00 . A A . 20 CYS CA 1 1
3 861 1 1 20 CYS CB C -9.616 -0.805 3.208 1.00 . A A . 20 CYS CB 1 1
3 862 1 1 20 CYS H H -8.022 -0.015 1.264 1.00 . A A . 20 CYS H 1 1
3 863 1 1 20 CYS HA H -10.258 -1.859 1.461 1.00 . A A . 20 CYS HA 1 1
3 864 1 1 20 CYS HB2 H -9.002 0.059 3.406 1.00 . A A . 20 CYS HB2 1 1
3 865 1 1 20 CYS HB3 H -10.547 -0.706 3.746 1.00 . A A . 20 CYS HB3 1 1
3 866 1 1 20 CYS N N -8.705 -0.618 0.910 1.00 . A A . 20 CYS N 1 1
3 867 1 1 20 CYS O O -11.810 0.529 2.209 1.00 . A A . 20 CYS O 1 1
3 868 1 1 20 CYS SG S -8.743 -2.268 3.875 1.00 . A A . 20 CYS SG 1 1
3 869 1 1 21 CYS C C -12.754 0.930 -1.592 1.00 . A A . 21 CYS C 1 1
3 870 1 1 21 CYS CA C -12.041 1.495 -0.369 1.00 . A A . 21 CYS CA 1 1
3 871 1 1 21 CYS CB C -11.376 2.835 -0.711 1.00 . A A . 21 CYS CB 1 1
3 872 1 1 21 CYS H H -10.397 0.189 -0.542 1.00 . A A . 21 CYS H 1 1
3 873 1 1 21 CYS HA H -12.762 1.645 0.422 1.00 . A A . 21 CYS HA 1 1
3 874 1 1 21 CYS HB2 H -10.692 2.686 -1.531 1.00 . A A . 21 CYS HB2 1 1
3 875 1 1 21 CYS HB3 H -12.140 3.539 -1.012 1.00 . A A . 21 CYS HB3 1 1
3 876 1 1 21 CYS N N -11.050 0.543 0.097 1.00 . A A . 21 CYS N 1 1
3 877 1 1 21 CYS O O -12.471 1.389 -2.717 1.00 . A A . 21 CYS O 1 1
3 878 1 1 21 CYS OXT O -13.564 -0.007 -1.428 1.00 . A A . 21 CYS OXT 1 1
3 879 1 1 21 CYS SG S -10.433 3.595 0.661 1.00 . A A . 21 CYS SG 1 1
4 880 1 1 1 THR C C -0.759 -4.572 -0.904 1.00 . A A . 1 THR C 1 1
4 881 1 1 1 THR CA C 0.033 -5.797 -0.435 1.00 . A A . 1 THR CA 1 1
4 882 1 1 1 THR CB C 0.177 -6.798 -1.597 1.00 . A A . 1 THR CB 1 1
4 883 1 1 1 THR CG2 C 1.114 -6.260 -2.671 1.00 . A A . 1 THR CG2 1 1
4 884 1 1 1 THR H1 H -0.070 -7.272 1.022 1.00 . A A . 1 THR H1 1 1
4 885 1 1 1 THR H2 H -1.578 -6.745 0.475 1.00 . A A . 1 THR H2 1 1
4 886 1 1 1 THR H3 H -0.673 -5.777 1.519 1.00 . A A . 1 THR H3 1 1
4 887 1 1 1 THR HA H 1.022 -5.478 -0.136 1.00 . A A . 1 THR HA 1 1
4 888 1 1 1 THR HB H -0.796 -6.966 -2.036 1.00 . A A . 1 THR HB 1 1
4 889 1 1 1 THR HG1 H 1.652 -7.974 -0.995 1.00 . A A . 1 THR HG1 1 1
4 890 1 1 1 THR HG21 H 0.727 -5.326 -3.051 1.00 . A A . 1 THR HG21 1 1
4 891 1 1 1 THR HG22 H 1.184 -6.975 -3.478 1.00 . A A . 1 THR HG22 1 1
4 892 1 1 1 THR HG23 H 2.093 -6.098 -2.247 1.00 . A A . 1 THR HG23 1 1
4 893 1 1 1 THR N N -0.618 -6.441 0.724 1.00 . A A . 1 THR N 1 1
4 894 1 1 1 THR O O -0.188 -3.621 -1.427 1.00 . A A . 1 THR O 1 1
4 895 1 1 1 THR OG1 O 0.691 -8.039 -1.096 1.00 . A A . 1 THR OG1 1 1
4 896 1 1 2 ARG C C -3.449 -2.813 0.223 1.00 . A A . 2 ARG C 1 1
4 897 1 1 2 ARG CA C -2.961 -3.510 -1.066 1.00 . A A . 2 ARG CA 1 1
4 898 1 1 2 ARG CB C -4.104 -4.113 -1.898 1.00 . A A . 2 ARG CB 1 1
4 899 1 1 2 ARG CD C -6.398 -4.063 -2.785 1.00 . A A . 2 ARG CD 1 1
4 900 1 1 2 ARG CG C -5.288 -3.227 -2.200 1.00 . A A . 2 ARG CG 1 1
4 901 1 1 2 ARG CZ C -7.860 -4.076 -4.771 1.00 . A A . 2 ARG CZ 1 1
4 902 1 1 2 ARG H H -2.493 -5.438 -0.394 1.00 . A A . 2 ARG H 1 1
4 903 1 1 2 ARG HA H -2.411 -2.804 -1.667 1.00 . A A . 2 ARG HA 1 1
4 904 1 1 2 ARG HB2 H -3.699 -4.438 -2.842 1.00 . A A . 2 ARG HB2 1 1
4 905 1 1 2 ARG HB3 H -4.475 -4.976 -1.379 1.00 . A A . 2 ARG HB3 1 1
4 906 1 1 2 ARG HD2 H -6.050 -5.086 -2.816 1.00 . A A . 2 ARG HD2 1 1
4 907 1 1 2 ARG HD3 H -7.263 -3.997 -2.138 1.00 . A A . 2 ARG HD3 1 1
4 908 1 1 2 ARG HE H -6.184 -2.991 -4.588 1.00 . A A . 2 ARG HE 1 1
4 909 1 1 2 ARG HG2 H -5.628 -2.778 -1.287 1.00 . A A . 2 ARG HG2 1 1
4 910 1 1 2 ARG HG3 H -5.012 -2.468 -2.894 1.00 . A A . 2 ARG HG3 1 1
4 911 1 1 2 ARG HH11 H -8.466 -5.288 -3.263 1.00 . A A . 2 ARG HH11 1 1
4 912 1 1 2 ARG HH12 H -9.483 -5.288 -4.669 1.00 . A A . 2 ARG HH12 1 1
4 913 1 1 2 ARG HH21 H -7.525 -2.979 -6.442 1.00 . A A . 2 ARG HH21 1 1
4 914 1 1 2 ARG HH22 H -8.958 -3.960 -6.473 1.00 . A A . 2 ARG HH22 1 1
4 915 1 1 2 ARG N N -2.076 -4.613 -0.726 1.00 . A A . 2 ARG N 1 1
4 916 1 1 2 ARG NE N -6.775 -3.639 -4.134 1.00 . A A . 2 ARG NE 1 1
4 917 1 1 2 ARG NH1 N -8.668 -4.953 -4.187 1.00 . A A . 2 ARG NH1 1 1
4 918 1 1 2 ARG NH2 N -8.136 -3.639 -5.994 1.00 . A A . 2 ARG NH2 1 1
4 919 1 1 2 ARG O O -4.473 -2.153 0.236 1.00 . A A . 2 ARG O 1 1
4 920 1 1 3 ILE C C -3.980 -1.431 2.807 1.00 . A A . 3 ILE C 1 1
4 921 1 1 3 ILE CA C -3.025 -2.617 2.673 1.00 . A A . 3 ILE CA 1 1
4 922 1 1 3 ILE CB C -1.788 -2.348 3.561 1.00 . A A . 3 ILE CB 1 1
4 923 1 1 3 ILE CD1 C 0.514 -3.246 4.179 1.00 . A A . 3 ILE CD1 1 1
4 924 1 1 3 ILE CG1 C -0.798 -3.500 3.467 1.00 . A A . 3 ILE CG1 1 1
4 925 1 1 3 ILE CG2 C -2.206 -2.151 5.006 1.00 . A A . 3 ILE CG2 1 1
4 926 1 1 3 ILE H H -1.747 -3.283 1.129 1.00 . A A . 3 ILE H 1 1
4 927 1 1 3 ILE HA H -3.517 -3.475 3.070 1.00 . A A . 3 ILE HA 1 1
4 928 1 1 3 ILE HB H -1.314 -1.442 3.220 1.00 . A A . 3 ILE HB 1 1
4 929 1 1 3 ILE HD11 H 1.087 -4.160 4.214 1.00 . A A . 3 ILE HD11 1 1
4 930 1 1 3 ILE HD12 H 0.320 -2.902 5.183 1.00 . A A . 3 ILE HD12 1 1
4 931 1 1 3 ILE HD13 H 1.075 -2.493 3.641 1.00 . A A . 3 ILE HD13 1 1
4 932 1 1 3 ILE HG12 H -1.241 -4.387 3.893 1.00 . A A . 3 ILE HG12 1 1
4 933 1 1 3 ILE HG13 H -0.582 -3.675 2.437 1.00 . A A . 3 ILE HG13 1 1
4 934 1 1 3 ILE HG21 H -2.706 -3.040 5.356 1.00 . A A . 3 ILE HG21 1 1
4 935 1 1 3 ILE HG22 H -2.876 -1.307 5.076 1.00 . A A . 3 ILE HG22 1 1
4 936 1 1 3 ILE HG23 H -1.329 -1.969 5.608 1.00 . A A . 3 ILE HG23 1 1
4 937 1 1 3 ILE N N -2.641 -2.948 1.285 1.00 . A A . 3 ILE N 1 1
4 938 1 1 3 ILE O O -3.572 -0.269 2.845 1.00 . A A . 3 ILE O 1 1
4 939 1 1 4 CYS C C -6.235 0.417 2.308 1.00 . A A . 4 CYS C 1 1
4 940 1 1 4 CYS CA C -6.352 -0.842 3.175 1.00 . A A . 4 CYS CA 1 1
4 941 1 1 4 CYS CB C -6.449 -0.459 4.649 1.00 . A A . 4 CYS CB 1 1
4 942 1 1 4 CYS H H -5.448 -2.745 2.916 1.00 . A A . 4 CYS H 1 1
4 943 1 1 4 CYS HA H -7.262 -1.352 2.904 1.00 . A A . 4 CYS HA 1 1
4 944 1 1 4 CYS HB2 H -5.717 -1.020 5.213 1.00 . A A . 4 CYS HB2 1 1
4 945 1 1 4 CYS HB3 H -6.247 0.598 4.752 1.00 . A A . 4 CYS HB3 1 1
4 946 1 1 4 CYS N N -5.247 -1.786 2.960 1.00 . A A . 4 CYS N 1 1
4 947 1 1 4 CYS O O -5.680 0.388 1.212 1.00 . A A . 4 CYS O 1 1
4 948 1 1 4 CYS SG S -8.091 -0.785 5.378 1.00 . A A . 4 CYS SG 1 1
4 949 1 1 5 CYS C C -5.609 3.634 2.853 1.00 . A A . 5 CYS C 1 1
4 950 1 1 5 CYS CA C -6.633 2.792 2.113 1.00 . A A . 5 CYS CA 1 1
4 951 1 1 5 CYS CB C -7.955 3.534 2.020 1.00 . A A . 5 CYS CB 1 1
4 952 1 1 5 CYS H H -7.398 1.452 3.562 1.00 . A A . 5 CYS H 1 1
4 953 1 1 5 CYS HA H -6.271 2.602 1.120 1.00 . A A . 5 CYS HA 1 1
4 954 1 1 5 CYS HB2 H -8.388 3.583 3.000 1.00 . A A . 5 CYS HB2 1 1
4 955 1 1 5 CYS HB3 H -7.780 4.534 1.652 1.00 . A A . 5 CYS HB3 1 1
4 956 1 1 5 CYS N N -6.813 1.510 2.773 1.00 . A A . 5 CYS N 1 1
4 957 1 1 5 CYS O O -5.557 3.636 4.085 1.00 . A A . 5 CYS O 1 1
4 958 1 1 5 CYS SG S -9.162 2.734 0.921 1.00 . A A . 5 CYS SG 1 1
4 959 1 1 6 GLY C C -2.405 4.849 2.063 1.00 . A A . 6 GLY C 1 1
4 960 1 1 6 GLY CA C -3.745 5.148 2.680 1.00 . A A . 6 GLY CA 1 1
4 961 1 1 6 GLY H H -4.824 4.233 1.114 1.00 . A A . 6 GLY H 1 1
4 962 1 1 6 GLY HA2 H -3.993 6.187 2.515 1.00 . A A . 6 GLY HA2 1 1
4 963 1 1 6 GLY HA3 H -3.697 4.957 3.740 1.00 . A A . 6 GLY HA3 1 1
4 964 1 1 6 GLY N N -4.770 4.317 2.095 1.00 . A A . 6 GLY N 1 1
4 965 1 1 6 GLY O O -2.318 4.616 0.856 1.00 . A A . 6 GLY O 1 1
4 966 1 1 7 CYS C C 0.637 3.529 3.334 1.00 . A A . 7 CYS C 1 1
4 967 1 1 7 CYS CA C -0.052 4.477 2.367 1.00 . A A . 7 CYS CA 1 1
4 968 1 1 7 CYS CB C 0.797 5.722 2.121 1.00 . A A . 7 CYS CB 1 1
4 969 1 1 7 CYS H H -1.474 5.059 3.816 1.00 . A A . 7 CYS H 1 1
4 970 1 1 7 CYS HA H -0.193 3.965 1.431 1.00 . A A . 7 CYS HA 1 1
4 971 1 1 7 CYS HB2 H 0.161 6.526 1.782 1.00 . A A . 7 CYS HB2 1 1
4 972 1 1 7 CYS HB3 H 1.278 6.009 3.043 1.00 . A A . 7 CYS HB3 1 1
4 973 1 1 7 CYS N N -1.362 4.832 2.868 1.00 . A A . 7 CYS N 1 1
4 974 1 1 7 CYS O O 0.578 3.707 4.550 1.00 . A A . 7 CYS O 1 1
4 975 1 1 7 CYS SG S 2.099 5.475 0.870 1.00 . A A . 7 CYS SG 1 1
4 976 1 1 8 TYR C C 3.232 1.096 2.975 1.00 . A A . 8 TYR C 1 1
4 977 1 1 8 TYR CA C 1.876 1.449 3.558 1.00 . A A . 8 TYR CA 1 1
4 978 1 1 8 TYR CB C 0.978 0.218 3.555 1.00 . A A . 8 TYR CB 1 1
4 979 1 1 8 TYR CD1 C 1.318 -0.773 1.253 1.00 . A A . 8 TYR CD1 1 1
4 980 1 1 8 TYR CD2 C -0.823 0.111 1.797 1.00 . A A . 8 TYR CD2 1 1
4 981 1 1 8 TYR CE1 C 0.866 -1.101 -0.008 1.00 . A A . 8 TYR CE1 1 1
4 982 1 1 8 TYR CE2 C -1.281 -0.211 0.540 1.00 . A A . 8 TYR CE2 1 1
4 983 1 1 8 TYR CG C 0.482 -0.161 2.177 1.00 . A A . 8 TYR CG 1 1
4 984 1 1 8 TYR CZ C -0.434 -0.815 -0.361 1.00 . A A . 8 TYR CZ 1 1
4 985 1 1 8 TYR H H 1.300 2.445 1.802 1.00 . A A . 8 TYR H 1 1
4 986 1 1 8 TYR HA H 2.001 1.800 4.571 1.00 . A A . 8 TYR HA 1 1
4 987 1 1 8 TYR HB2 H 1.536 -0.613 3.942 1.00 . A A . 8 TYR HB2 1 1
4 988 1 1 8 TYR HB3 H 0.120 0.398 4.183 1.00 . A A . 8 TYR HB3 1 1
4 989 1 1 8 TYR HD1 H 2.337 -0.996 1.534 1.00 . A A . 8 TYR HD1 1 1
4 990 1 1 8 TYR HD2 H -1.491 0.579 2.506 1.00 . A A . 8 TYR HD2 1 1
4 991 1 1 8 TYR HE1 H 1.530 -1.578 -0.713 1.00 . A A . 8 TYR HE1 1 1
4 992 1 1 8 TYR HE2 H -2.305 -0.001 0.270 1.00 . A A . 8 TYR HE2 1 1
4 993 1 1 8 TYR HH H -0.609 -2.034 -1.838 1.00 . A A . 8 TYR HH 1 1
4 994 1 1 8 TYR N N 1.257 2.503 2.780 1.00 . A A . 8 TYR N 1 1
4 995 1 1 8 TYR O O 3.513 1.406 1.820 1.00 . A A . 8 TYR O 1 1
4 996 1 1 8 TYR OH O -0.883 -1.130 -1.623 1.00 . A A . 8 TYR OH 1 1
4 997 1 1 9 TRP C C 5.346 -1.370 2.777 1.00 . A A . 9 TRP C 1 1
4 998 1 1 9 TRP CA C 5.381 0.062 3.287 1.00 . A A . 9 TRP CA 1 1
4 999 1 1 9 TRP CB C 6.436 0.200 4.387 1.00 . A A . 9 TRP CB 1 1
4 1000 1 1 9 TRP CD1 C 8.388 -1.372 3.883 1.00 . A A . 9 TRP CD1 1 1
4 1001 1 1 9 TRP CD2 C 8.781 0.766 3.360 1.00 . A A . 9 TRP CD2 1 1
4 1002 1 1 9 TRP CE2 C 9.914 0.005 3.024 1.00 . A A . 9 TRP CE2 1 1
4 1003 1 1 9 TRP CE3 C 8.800 2.142 3.121 1.00 . A A . 9 TRP CE3 1 1
4 1004 1 1 9 TRP CG C 7.812 -0.138 3.903 1.00 . A A . 9 TRP CG 1 1
4 1005 1 1 9 TRP CH2 C 11.042 1.922 2.243 1.00 . A A . 9 TRP CH2 1 1
4 1006 1 1 9 TRP CZ2 C 11.053 0.573 2.463 1.00 . A A . 9 TRP CZ2 1 1
4 1007 1 1 9 TRP CZ3 C 9.930 2.704 2.567 1.00 . A A . 9 TRP CZ3 1 1
4 1008 1 1 9 TRP H H 3.785 0.199 4.666 1.00 . A A . 9 TRP H 1 1
4 1009 1 1 9 TRP HA H 5.643 0.714 2.466 1.00 . A A . 9 TRP HA 1 1
4 1010 1 1 9 TRP HB2 H 6.447 1.216 4.745 1.00 . A A . 9 TRP HB2 1 1
4 1011 1 1 9 TRP HB3 H 6.192 -0.466 5.200 1.00 . A A . 9 TRP HB3 1 1
4 1012 1 1 9 TRP HD1 H 7.903 -2.271 4.230 1.00 . A A . 9 TRP HD1 1 1
4 1013 1 1 9 TRP HE1 H 10.256 -2.060 3.214 1.00 . A A . 9 TRP HE1 1 1
4 1014 1 1 9 TRP HE3 H 7.954 2.763 3.364 1.00 . A A . 9 TRP HE3 1 1
4 1015 1 1 9 TRP HH2 H 11.901 2.407 1.812 1.00 . A A . 9 TRP HH2 1 1
4 1016 1 1 9 TRP HZ2 H 11.919 -0.019 2.203 1.00 . A A . 9 TRP HZ2 1 1
4 1017 1 1 9 TRP HZ3 H 9.962 3.765 2.377 1.00 . A A . 9 TRP HZ3 1 1
4 1018 1 1 9 TRP N N 4.069 0.452 3.761 1.00 . A A . 9 TRP N 1 1
4 1019 1 1 9 TRP NE1 N 9.645 -1.297 3.347 1.00 . A A . 9 TRP NE1 1 1
4 1020 1 1 9 TRP O O 5.405 -2.322 3.558 1.00 . A A . 9 TRP O 1 1
4 1021 1 1 10 ASN C C 6.648 -3.186 0.380 1.00 . A A . 10 ASN C 1 1
4 1022 1 1 10 ASN CA C 5.247 -2.848 0.877 1.00 . A A . 10 ASN CA 1 1
4 1023 1 1 10 ASN CB C 4.247 -2.937 -0.279 1.00 . A A . 10 ASN CB 1 1
4 1024 1 1 10 ASN CG C 4.047 -4.363 -0.764 1.00 . A A . 10 ASN CG 1 1
4 1025 1 1 10 ASN H H 5.126 -0.738 0.901 1.00 . A A . 10 ASN H 1 1
4 1026 1 1 10 ASN HA H 4.968 -3.559 1.641 1.00 . A A . 10 ASN HA 1 1
4 1027 1 1 10 ASN HB2 H 3.293 -2.551 0.048 1.00 . A A . 10 ASN HB2 1 1
4 1028 1 1 10 ASN HB3 H 4.607 -2.342 -1.105 1.00 . A A . 10 ASN HB3 1 1
4 1029 1 1 10 ASN HD21 H 5.568 -4.183 -2.033 1.00 . A A . 10 ASN HD21 1 1
4 1030 1 1 10 ASN HD22 H 4.767 -5.720 -2.025 1.00 . A A . 10 ASN HD22 1 1
4 1031 1 1 10 ASN N N 5.229 -1.525 1.473 1.00 . A A . 10 ASN N 1 1
4 1032 1 1 10 ASN ND2 N 4.874 -4.798 -1.702 1.00 . A A . 10 ASN ND2 1 1
4 1033 1 1 10 ASN O O 6.995 -2.903 -0.767 1.00 . A A . 10 ASN O 1 1
4 1034 1 1 10 ASN OD1 O 3.157 -5.069 -0.292 1.00 . A A . 10 ASN OD1 1 1
4 1035 1 1 11 GLY C C 9.778 -3.247 0.523 1.00 . A A . 11 GLY C 1 1
4 1036 1 1 11 GLY CA C 8.747 -4.300 0.889 1.00 . A A . 11 GLY CA 1 1
4 1037 1 1 11 GLY H H 7.149 -3.844 2.195 1.00 . A A . 11 GLY H 1 1
4 1038 1 1 11 GLY HA2 H 9.133 -4.878 1.713 1.00 . A A . 11 GLY HA2 1 1
4 1039 1 1 11 GLY HA3 H 8.617 -4.956 0.047 1.00 . A A . 11 GLY HA3 1 1
4 1040 1 1 11 GLY N N 7.447 -3.771 1.264 1.00 . A A . 11 GLY N 1 1
4 1041 1 1 11 GLY O O 10.627 -2.895 1.339 1.00 . A A . 11 GLY O 1 1
4 1042 1 1 12 SER C C 10.482 -0.415 -0.994 1.00 . A A . 12 SER C 1 1
4 1043 1 1 12 SER CA C 10.759 -1.899 -1.241 1.00 . A A . 12 SER CA 1 1
4 1044 1 1 12 SER CB C 10.919 -2.172 -2.740 1.00 . A A . 12 SER CB 1 1
4 1045 1 1 12 SER H H 8.935 -2.977 -1.266 1.00 . A A . 12 SER H 1 1
4 1046 1 1 12 SER HA H 11.681 -2.161 -0.743 1.00 . A A . 12 SER HA 1 1
4 1047 1 1 12 SER HB2 H 11.099 -3.226 -2.892 1.00 . A A . 12 SER HB2 1 1
4 1048 1 1 12 SER HB3 H 10.013 -1.886 -3.252 1.00 . A A . 12 SER HB3 1 1
4 1049 1 1 12 SER HG H 12.571 -1.117 -2.579 1.00 . A A . 12 SER HG 1 1
4 1050 1 1 12 SER N N 9.712 -2.755 -0.705 1.00 . A A . 12 SER N 1 1
4 1051 1 1 12 SER O O 11.405 0.349 -0.709 1.00 . A A . 12 SER O 1 1
4 1052 1 1 12 SER OG O 12.005 -1.444 -3.293 1.00 . A A . 12 SER OG 1 1
4 1053 1 1 13 LYS C C 7.496 1.587 -0.377 1.00 . A A . 13 LYS C 1 1
4 1054 1 1 13 LYS CA C 8.882 1.409 -0.962 1.00 . A A . 13 LYS CA 1 1
4 1055 1 1 13 LYS CB C 8.976 2.137 -2.313 1.00 . A A . 13 LYS CB 1 1
4 1056 1 1 13 LYS CD C 6.906 1.841 -3.693 1.00 . A A . 13 LYS CD 1 1
4 1057 1 1 13 LYS CE C 6.822 3.254 -4.256 1.00 . A A . 13 LYS CE 1 1
4 1058 1 1 13 LYS CG C 8.333 1.398 -3.478 1.00 . A A . 13 LYS CG 1 1
4 1059 1 1 13 LYS H H 8.514 -0.656 -1.273 1.00 . A A . 13 LYS H 1 1
4 1060 1 1 13 LYS HA H 9.596 1.851 -0.282 1.00 . A A . 13 LYS HA 1 1
4 1061 1 1 13 LYS HB2 H 8.475 3.093 -2.219 1.00 . A A . 13 LYS HB2 1 1
4 1062 1 1 13 LYS HB3 H 10.011 2.306 -2.549 1.00 . A A . 13 LYS HB3 1 1
4 1063 1 1 13 LYS HD2 H 6.424 1.160 -4.378 1.00 . A A . 13 LYS HD2 1 1
4 1064 1 1 13 LYS HD3 H 6.409 1.811 -2.743 1.00 . A A . 13 LYS HD3 1 1
4 1065 1 1 13 LYS HE2 H 7.362 3.921 -3.602 1.00 . A A . 13 LYS HE2 1 1
4 1066 1 1 13 LYS HE3 H 7.277 3.265 -5.235 1.00 . A A . 13 LYS HE3 1 1
4 1067 1 1 13 LYS HG2 H 8.899 1.585 -4.377 1.00 . A A . 13 LYS HG2 1 1
4 1068 1 1 13 LYS HG3 H 8.334 0.344 -3.260 1.00 . A A . 13 LYS HG3 1 1
4 1069 1 1 13 LYS HZ1 H 5.382 4.638 -4.864 1.00 . A A . 13 LYS HZ1 1 1
4 1070 1 1 13 LYS HZ2 H 5.002 3.847 -3.420 1.00 . A A . 13 LYS HZ2 1 1
4 1071 1 1 13 LYS HZ3 H 4.846 3.035 -4.896 1.00 . A A . 13 LYS HZ3 1 1
4 1072 1 1 13 LYS N N 9.226 -0.002 -1.104 1.00 . A A . 13 LYS N 1 1
4 1073 1 1 13 LYS NZ N 5.416 3.724 -4.368 1.00 . A A . 13 LYS NZ 1 1
4 1074 1 1 13 LYS O O 6.722 0.634 -0.273 1.00 . A A . 13 LYS O 1 1
4 1075 1 1 14 ASP C C 4.917 3.186 -0.690 1.00 . A A . 14 ASP C 1 1
4 1076 1 1 14 ASP CA C 5.884 3.183 0.483 1.00 . A A . 14 ASP CA 1 1
4 1077 1 1 14 ASP CB C 5.911 4.554 1.179 1.00 . A A . 14 ASP CB 1 1
4 1078 1 1 14 ASP CG C 6.547 5.640 0.330 1.00 . A A . 14 ASP CG 1 1
4 1079 1 1 14 ASP H H 7.904 3.504 -0.008 1.00 . A A . 14 ASP H 1 1
4 1080 1 1 14 ASP HA H 5.563 2.434 1.194 1.00 . A A . 14 ASP HA 1 1
4 1081 1 1 14 ASP HB2 H 4.898 4.853 1.406 1.00 . A A . 14 ASP HB2 1 1
4 1082 1 1 14 ASP HB3 H 6.470 4.469 2.099 1.00 . A A . 14 ASP HB3 1 1
4 1083 1 1 14 ASP N N 7.205 2.815 0.019 1.00 . A A . 14 ASP N 1 1
4 1084 1 1 14 ASP O O 5.069 3.950 -1.642 1.00 . A A . 14 ASP O 1 1
4 1085 1 1 14 ASP OD1 O 7.765 5.572 0.067 1.00 . A A . 14 ASP OD1 1 1
4 1086 1 1 14 ASP OD2 O 5.819 6.563 -0.100 1.00 . A A . 14 ASP OD2 1 1
4 1087 1 1 15 VAL C C 1.625 2.607 -1.174 1.00 . A A . 15 VAL C 1 1
4 1088 1 1 15 VAL CA C 2.972 2.143 -1.680 1.00 . A A . 15 VAL CA 1 1
4 1089 1 1 15 VAL CB C 2.857 0.676 -2.147 1.00 . A A . 15 VAL CB 1 1
4 1090 1 1 15 VAL CG1 C 1.903 0.559 -3.325 1.00 . A A . 15 VAL CG1 1 1
4 1091 1 1 15 VAL CG2 C 4.218 0.106 -2.507 1.00 . A A . 15 VAL CG2 1 1
4 1092 1 1 15 VAL H H 3.860 1.748 0.177 1.00 . A A . 15 VAL H 1 1
4 1093 1 1 15 VAL HA H 3.274 2.755 -2.518 1.00 . A A . 15 VAL HA 1 1
4 1094 1 1 15 VAL HB H 2.454 0.096 -1.332 1.00 . A A . 15 VAL HB 1 1
4 1095 1 1 15 VAL HG11 H 0.924 0.905 -3.030 1.00 . A A . 15 VAL HG11 1 1
4 1096 1 1 15 VAL HG12 H 1.840 -0.473 -3.636 1.00 . A A . 15 VAL HG12 1 1
4 1097 1 1 15 VAL HG13 H 2.265 1.161 -4.145 1.00 . A A . 15 VAL HG13 1 1
4 1098 1 1 15 VAL HG21 H 4.107 -0.923 -2.814 1.00 . A A . 15 VAL HG21 1 1
4 1099 1 1 15 VAL HG22 H 4.869 0.159 -1.647 1.00 . A A . 15 VAL HG22 1 1
4 1100 1 1 15 VAL HG23 H 4.644 0.679 -3.317 1.00 . A A . 15 VAL HG23 1 1
4 1101 1 1 15 VAL N N 3.946 2.299 -0.627 1.00 . A A . 15 VAL N 1 1
4 1102 1 1 15 VAL O O 1.028 1.983 -0.301 1.00 . A A . 15 VAL O 1 1
4 1103 1 1 16 CYS C C -1.188 3.742 -2.297 1.00 . A A . 16 CYS C 1 1
4 1104 1 1 16 CYS CA C -0.136 4.232 -1.306 1.00 . A A . 16 CYS CA 1 1
4 1105 1 1 16 CYS CB C -0.141 5.758 -1.243 1.00 . A A . 16 CYS CB 1 1
4 1106 1 1 16 CYS H H 1.756 4.243 -2.280 1.00 . A A . 16 CYS H 1 1
4 1107 1 1 16 CYS HA H -0.381 3.839 -0.333 1.00 . A A . 16 CYS HA 1 1
4 1108 1 1 16 CYS HB2 H -0.407 6.139 -2.211 1.00 . A A . 16 CYS HB2 1 1
4 1109 1 1 16 CYS HB3 H -0.888 6.073 -0.528 1.00 . A A . 16 CYS HB3 1 1
4 1110 1 1 16 CYS N N 1.179 3.728 -1.675 1.00 . A A . 16 CYS N 1 1
4 1111 1 1 16 CYS O O -0.947 3.693 -3.507 1.00 . A A . 16 CYS O 1 1
4 1112 1 1 16 CYS SG S 1.451 6.522 -0.752 1.00 . A A . 16 CYS SG 1 1
4 1113 1 1 17 SER C C -4.742 2.865 -1.801 1.00 . A A . 17 SER C 1 1
4 1114 1 1 17 SER CA C -3.427 2.818 -2.578 1.00 . A A . 17 SER CA 1 1
4 1115 1 1 17 SER CB C -3.102 1.374 -2.973 1.00 . A A . 17 SER CB 1 1
4 1116 1 1 17 SER H H -2.497 3.516 -0.813 1.00 . A A . 17 SER H 1 1
4 1117 1 1 17 SER HA H -3.525 3.417 -3.471 1.00 . A A . 17 SER HA 1 1
4 1118 1 1 17 SER HB2 H -3.867 1.002 -3.636 1.00 . A A . 17 SER HB2 1 1
4 1119 1 1 17 SER HB3 H -2.146 1.346 -3.475 1.00 . A A . 17 SER HB3 1 1
4 1120 1 1 17 SER HG H -2.183 0.096 -1.801 1.00 . A A . 17 SER HG 1 1
4 1121 1 1 17 SER N N -2.350 3.380 -1.774 1.00 . A A . 17 SER N 1 1
4 1122 1 1 17 SER O O -4.792 3.390 -0.684 1.00 . A A . 17 SER O 1 1
4 1123 1 1 17 SER OG O -3.042 0.539 -1.834 1.00 . A A . 17 SER OG 1 1
4 1124 1 1 18 GLN C C -7.808 0.994 -1.797 1.00 . A A . 18 GLN C 1 1
4 1125 1 1 18 GLN CA C -7.117 2.356 -1.758 1.00 . A A . 18 GLN CA 1 1
4 1126 1 1 18 GLN CB C -7.991 3.419 -2.417 1.00 . A A . 18 GLN CB 1 1
4 1127 1 1 18 GLN CD C -8.396 5.892 -2.744 1.00 . A A . 18 GLN CD 1 1
4 1128 1 1 18 GLN CG C -7.540 4.823 -2.097 1.00 . A A . 18 GLN CG 1 1
4 1129 1 1 18 GLN H H -5.704 1.887 -3.262 1.00 . A A . 18 GLN H 1 1
4 1130 1 1 18 GLN HA H -6.968 2.634 -0.728 1.00 . A A . 18 GLN HA 1 1
4 1131 1 1 18 GLN HB2 H -7.946 3.292 -3.485 1.00 . A A . 18 GLN HB2 1 1
4 1132 1 1 18 GLN HB3 H -9.009 3.301 -2.082 1.00 . A A . 18 GLN HB3 1 1
4 1133 1 1 18 GLN HE21 H -8.768 4.715 -4.303 1.00 . A A . 18 GLN HE21 1 1
4 1134 1 1 18 GLN HE22 H -9.497 6.281 -4.348 1.00 . A A . 18 GLN HE22 1 1
4 1135 1 1 18 GLN HG2 H -7.567 4.963 -1.026 1.00 . A A . 18 GLN HG2 1 1
4 1136 1 1 18 GLN HG3 H -6.529 4.931 -2.446 1.00 . A A . 18 GLN HG3 1 1
4 1137 1 1 18 GLN N N -5.806 2.323 -2.389 1.00 . A A . 18 GLN N 1 1
4 1138 1 1 18 GLN NE2 N -8.942 5.600 -3.914 1.00 . A A . 18 GLN NE2 1 1
4 1139 1 1 18 GLN O O -8.667 0.747 -2.647 1.00 . A A . 18 GLN O 1 1
4 1140 1 1 18 GLN OE1 O -8.557 6.980 -2.195 1.00 . A A . 18 GLN OE1 1 1
4 1141 1 1 19 SER C C -9.487 -1.015 -0.177 1.00 . A A . 19 SER C 1 1
4 1142 1 1 19 SER CA C -8.082 -1.187 -0.749 1.00 . A A . 19 SER CA 1 1
4 1143 1 1 19 SER CB C -7.313 -2.080 0.211 1.00 . A A . 19 SER CB 1 1
4 1144 1 1 19 SER H H -6.688 0.339 -0.268 1.00 . A A . 19 SER H 1 1
4 1145 1 1 19 SER HA H -8.113 -1.656 -1.724 1.00 . A A . 19 SER HA 1 1
4 1146 1 1 19 SER HB2 H -6.256 -1.915 0.094 1.00 . A A . 19 SER HB2 1 1
4 1147 1 1 19 SER HB3 H -7.599 -1.824 1.213 1.00 . A A . 19 SER HB3 1 1
4 1148 1 1 19 SER HG H -8.530 -3.620 0.212 1.00 . A A . 19 SER HG 1 1
4 1149 1 1 19 SER N N -7.433 0.113 -0.876 1.00 . A A . 19 SER N 1 1
4 1150 1 1 19 SER O O -10.488 -1.387 -0.789 1.00 . A A . 19 SER O 1 1
4 1151 1 1 19 SER OG O -7.601 -3.452 0.004 1.00 . A A . 19 SER OG 1 1
4 1152 1 1 20 CYS C C -11.672 0.758 1.488 1.00 . A A . 20 CYS C 1 1
4 1153 1 1 20 CYS CA C -10.724 -0.385 1.847 1.00 . A A . 20 CYS CA 1 1
4 1154 1 1 20 CYS CB C -10.302 -0.281 3.319 1.00 . A A . 20 CYS CB 1 1
4 1155 1 1 20 CYS H H -8.736 0.071 1.316 1.00 . A A . 20 CYS H 1 1
4 1156 1 1 20 CYS HA H -11.234 -1.318 1.704 1.00 . A A . 20 CYS HA 1 1
4 1157 1 1 20 CYS HB2 H -9.807 0.664 3.479 1.00 . A A . 20 CYS HB2 1 1
4 1158 1 1 20 CYS HB3 H -11.181 -0.333 3.944 1.00 . A A . 20 CYS HB3 1 1
4 1159 1 1 20 CYS N N -9.533 -0.402 1.004 1.00 . A A . 20 CYS N 1 1
4 1160 1 1 20 CYS O O -12.361 1.299 2.354 1.00 . A A . 20 CYS O 1 1
4 1161 1 1 20 CYS SG S -9.160 -1.605 3.853 1.00 . A A . 20 CYS SG 1 1
4 1162 1 1 21 CYS C C -13.362 1.784 -1.461 1.00 . A A . 21 CYS C 1 1
4 1163 1 1 21 CYS CA C -12.555 2.212 -0.242 1.00 . A A . 21 CYS CA 1 1
4 1164 1 1 21 CYS CB C -11.708 3.444 -0.575 1.00 . A A . 21 CYS CB 1 1
4 1165 1 1 21 CYS H H -11.171 0.627 -0.441 1.00 . A A . 21 CYS H 1 1
4 1166 1 1 21 CYS HA H -13.238 2.459 0.558 1.00 . A A . 21 CYS HA 1 1
4 1167 1 1 21 CYS HB2 H -11.038 3.200 -1.386 1.00 . A A . 21 CYS HB2 1 1
4 1168 1 1 21 CYS HB3 H -12.362 4.245 -0.884 1.00 . A A . 21 CYS HB3 1 1
4 1169 1 1 21 CYS N N -11.712 1.118 0.213 1.00 . A A . 21 CYS N 1 1
4 1170 1 1 21 CYS O O -12.915 2.046 -2.599 1.00 . A A . 21 CYS O 1 1
4 1171 1 1 21 CYS OXT O -14.430 1.162 -1.275 1.00 . A A . 21 CYS OXT 1 1
4 1172 1 1 21 CYS SG S -10.693 4.058 0.812 1.00 . A A . 21 CYS SG 1 1
5 1173 1 1 1 THR C C -1.023 -5.028 -0.657 1.00 . A A . 1 THR C 1 1
5 1174 1 1 1 THR CA C -0.115 -6.250 -0.773 1.00 . A A . 1 THR CA 1 1
5 1175 1 1 1 THR CB C 0.441 -6.609 0.617 1.00 . A A . 1 THR CB 1 1
5 1176 1 1 1 THR CG2 C -0.656 -7.145 1.526 1.00 . A A . 1 THR CG2 1 1
5 1177 1 1 1 THR H1 H 0.608 -5.736 -2.652 1.00 . A A . 1 THR H1 1 1
5 1178 1 1 1 THR H2 H 1.579 -6.838 -1.814 1.00 . A A . 1 THR H2 1 1
5 1179 1 1 1 THR H3 H 1.580 -5.206 -1.369 1.00 . A A . 1 THR H3 1 1
5 1180 1 1 1 THR HA H -0.692 -7.085 -1.139 1.00 . A A . 1 THR HA 1 1
5 1181 1 1 1 THR HB H 0.857 -5.717 1.064 1.00 . A A . 1 THR HB 1 1
5 1182 1 1 1 THR HG1 H 1.176 -8.428 0.863 1.00 . A A . 1 THR HG1 1 1
5 1183 1 1 1 THR HG21 H -1.443 -6.410 1.616 1.00 . A A . 1 THR HG21 1 1
5 1184 1 1 1 THR HG22 H -0.245 -7.352 2.503 1.00 . A A . 1 THR HG22 1 1
5 1185 1 1 1 THR HG23 H -1.061 -8.055 1.106 1.00 . A A . 1 THR HG23 1 1
5 1186 1 1 1 THR N N 0.987 -5.990 -1.718 1.00 . A A . 1 THR N 1 1
5 1187 1 1 1 THR O O -0.574 -3.943 -0.309 1.00 . A A . 1 THR O 1 1
5 1188 1 1 1 THR OG1 O 1.474 -7.592 0.480 1.00 . A A . 1 THR OG1 1 1
5 1189 1 1 2 ARG C C -3.745 -3.779 0.475 1.00 . A A . 2 ARG C 1 1
5 1190 1 1 2 ARG CA C -3.313 -4.190 -0.952 1.00 . A A . 2 ARG CA 1 1
5 1191 1 1 2 ARG CB C -4.476 -4.700 -1.793 1.00 . A A . 2 ARG CB 1 1
5 1192 1 1 2 ARG CD C -6.638 -4.331 -2.894 1.00 . A A . 2 ARG CD 1 1
5 1193 1 1 2 ARG CG C -5.562 -3.699 -2.067 1.00 . A A . 2 ARG CG 1 1
5 1194 1 1 2 ARG CZ C -8.362 -2.753 -3.711 1.00 . A A . 2 ARG CZ 1 1
5 1195 1 1 2 ARG H H -2.603 -6.142 -1.163 1.00 . A A . 2 ARG H 1 1
5 1196 1 1 2 ARG HA H -2.889 -3.329 -1.443 1.00 . A A . 2 ARG HA 1 1
5 1197 1 1 2 ARG HB2 H -4.092 -5.038 -2.741 1.00 . A A . 2 ARG HB2 1 1
5 1198 1 1 2 ARG HB3 H -4.919 -5.534 -1.287 1.00 . A A . 2 ARG HB3 1 1
5 1199 1 1 2 ARG HD2 H -6.317 -4.357 -3.925 1.00 . A A . 2 ARG HD2 1 1
5 1200 1 1 2 ARG HD3 H -6.758 -5.332 -2.530 1.00 . A A . 2 ARG HD3 1 1
5 1201 1 1 2 ARG HE H -8.470 -3.800 -2.011 1.00 . A A . 2 ARG HE 1 1
5 1202 1 1 2 ARG HG2 H -5.979 -3.378 -1.133 1.00 . A A . 2 ARG HG2 1 1
5 1203 1 1 2 ARG HG3 H -5.155 -2.860 -2.591 1.00 . A A . 2 ARG HG3 1 1
5 1204 1 1 2 ARG HH11 H -6.742 -2.901 -4.926 1.00 . A A . 2 ARG HH11 1 1
5 1205 1 1 2 ARG HH12 H -7.981 -1.814 -5.469 1.00 . A A . 2 ARG HH12 1 1
5 1206 1 1 2 ARG HH21 H -10.085 -2.367 -2.715 1.00 . A A . 2 ARG HH21 1 1
5 1207 1 1 2 ARG HH22 H -9.886 -1.515 -4.216 1.00 . A A . 2 ARG HH22 1 1
5 1208 1 1 2 ARG N N -2.303 -5.231 -0.938 1.00 . A A . 2 ARG N 1 1
5 1209 1 1 2 ARG NE N -7.911 -3.618 -2.801 1.00 . A A . 2 ARG NE 1 1
5 1210 1 1 2 ARG NH1 N -7.638 -2.469 -4.789 1.00 . A A . 2 ARG NH1 1 1
5 1211 1 1 2 ARG NH2 N -9.537 -2.164 -3.534 1.00 . A A . 2 ARG NH2 1 1
5 1212 1 1 2 ARG O O -4.924 -3.573 0.735 1.00 . A A . 2 ARG O 1 1
5 1213 1 1 3 ILE C C -3.796 -2.162 3.039 1.00 . A A . 3 ILE C 1 1
5 1214 1 1 3 ILE CA C -3.110 -3.516 2.830 1.00 . A A . 3 ILE CA 1 1
5 1215 1 1 3 ILE CB C -1.830 -3.549 3.689 1.00 . A A . 3 ILE CB 1 1
5 1216 1 1 3 ILE CD1 C 0.720 -3.492 3.543 1.00 . A A . 3 ILE CD1 1 1
5 1217 1 1 3 ILE CG1 C -0.599 -3.588 2.799 1.00 . A A . 3 ILE CG1 1 1
5 1218 1 1 3 ILE CG2 C -1.842 -4.733 4.622 1.00 . A A . 3 ILE CG2 1 1
5 1219 1 1 3 ILE H H -1.887 -3.975 1.170 1.00 . A A . 3 ILE H 1 1
5 1220 1 1 3 ILE HA H -3.766 -4.285 3.181 1.00 . A A . 3 ILE HA 1 1
5 1221 1 1 3 ILE HB H -1.804 -2.652 4.281 1.00 . A A . 3 ILE HB 1 1
5 1222 1 1 3 ILE HD11 H 1.533 -3.437 2.831 1.00 . A A . 3 ILE HD11 1 1
5 1223 1 1 3 ILE HD12 H 0.845 -4.365 4.166 1.00 . A A . 3 ILE HD12 1 1
5 1224 1 1 3 ILE HD13 H 0.722 -2.606 4.158 1.00 . A A . 3 ILE HD13 1 1
5 1225 1 1 3 ILE HG12 H -0.602 -4.512 2.246 1.00 . A A . 3 ILE HG12 1 1
5 1226 1 1 3 ILE HG13 H -0.657 -2.768 2.111 1.00 . A A . 3 ILE HG13 1 1
5 1227 1 1 3 ILE HG21 H -1.890 -5.641 4.042 1.00 . A A . 3 ILE HG21 1 1
5 1228 1 1 3 ILE HG22 H -2.699 -4.670 5.272 1.00 . A A . 3 ILE HG22 1 1
5 1229 1 1 3 ILE HG23 H -0.938 -4.728 5.209 1.00 . A A . 3 ILE HG23 1 1
5 1230 1 1 3 ILE N N -2.809 -3.799 1.424 1.00 . A A . 3 ILE N 1 1
5 1231 1 1 3 ILE O O -3.154 -1.133 3.220 1.00 . A A . 3 ILE O 1 1
5 1232 1 1 4 CYS C C -5.702 0.158 2.525 1.00 . A A . 4 CYS C 1 1
5 1233 1 1 4 CYS CA C -6.006 -1.097 3.356 1.00 . A A . 4 CYS CA 1 1
5 1234 1 1 4 CYS CB C -6.067 -0.738 4.837 1.00 . A A . 4 CYS CB 1 1
5 1235 1 1 4 CYS H H -5.504 -3.118 2.979 1.00 . A A . 4 CYS H 1 1
5 1236 1 1 4 CYS HA H -6.991 -1.431 3.069 1.00 . A A . 4 CYS HA 1 1
5 1237 1 1 4 CYS HB2 H -5.322 -1.306 5.376 1.00 . A A . 4 CYS HB2 1 1
5 1238 1 1 4 CYS HB3 H -5.869 0.319 4.951 1.00 . A A . 4 CYS HB3 1 1
5 1239 1 1 4 CYS N N -5.108 -2.237 3.113 1.00 . A A . 4 CYS N 1 1
5 1240 1 1 4 CYS O O -4.854 0.173 1.634 1.00 . A A . 4 CYS O 1 1
5 1241 1 1 4 CYS SG S -7.696 -1.081 5.585 1.00 . A A . 4 CYS SG 1 1
5 1242 1 1 5 CYS C C -5.605 3.493 2.672 1.00 . A A . 5 CYS C 1 1
5 1243 1 1 5 CYS CA C -6.479 2.418 2.044 1.00 . A A . 5 CYS CA 1 1
5 1244 1 1 5 CYS CB C -7.929 2.872 1.986 1.00 . A A . 5 CYS CB 1 1
5 1245 1 1 5 CYS H H -6.993 1.173 3.637 1.00 . A A . 5 CYS H 1 1
5 1246 1 1 5 CYS HA H -6.134 2.198 1.053 1.00 . A A . 5 CYS HA 1 1
5 1247 1 1 5 CYS HB2 H -8.518 2.090 1.534 1.00 . A A . 5 CYS HB2 1 1
5 1248 1 1 5 CYS HB3 H -8.269 3.022 2.995 1.00 . A A . 5 CYS HB3 1 1
5 1249 1 1 5 CYS N N -6.443 1.208 2.833 1.00 . A A . 5 CYS N 1 1
5 1250 1 1 5 CYS O O -5.723 3.791 3.861 1.00 . A A . 5 CYS O 1 1
5 1251 1 1 5 CYS SG S -8.256 4.398 1.055 1.00 . A A . 5 CYS SG 1 1
5 1252 1 1 6 GLY C C -2.411 4.751 1.830 1.00 . A A . 6 GLY C 1 1
5 1253 1 1 6 GLY CA C -3.789 5.041 2.361 1.00 . A A . 6 GLY CA 1 1
5 1254 1 1 6 GLY H H -4.713 3.810 0.918 1.00 . A A . 6 GLY H 1 1
5 1255 1 1 6 GLY HA2 H -4.096 6.026 2.044 1.00 . A A . 6 GLY HA2 1 1
5 1256 1 1 6 GLY HA3 H -3.768 5.003 3.440 1.00 . A A . 6 GLY HA3 1 1
5 1257 1 1 6 GLY N N -4.732 4.066 1.869 1.00 . A A . 6 GLY N 1 1
5 1258 1 1 6 GLY O O -2.273 4.294 0.699 1.00 . A A . 6 GLY O 1 1
5 1259 1 1 7 CYS C C 0.576 3.651 3.152 1.00 . A A . 7 CYS C 1 1
5 1260 1 1 7 CYS CA C -0.034 4.692 2.227 1.00 . A A . 7 CYS CA 1 1
5 1261 1 1 7 CYS CB C 0.805 5.969 2.229 1.00 . A A . 7 CYS CB 1 1
5 1262 1 1 7 CYS H H -1.560 5.357 3.529 1.00 . A A . 7 CYS H 1 1
5 1263 1 1 7 CYS HA H -0.067 4.294 1.228 1.00 . A A . 7 CYS HA 1 1
5 1264 1 1 7 CYS HB2 H 0.873 6.347 3.237 1.00 . A A . 7 CYS HB2 1 1
5 1265 1 1 7 CYS HB3 H 1.797 5.741 1.867 1.00 . A A . 7 CYS HB3 1 1
5 1266 1 1 7 CYS N N -1.395 4.985 2.637 1.00 . A A . 7 CYS N 1 1
5 1267 1 1 7 CYS O O 0.607 3.830 4.373 1.00 . A A . 7 CYS O 1 1
5 1268 1 1 7 CYS SG S 0.124 7.301 1.182 1.00 . A A . 7 CYS SG 1 1
5 1269 1 1 8 TYR C C 3.063 1.220 2.864 1.00 . A A . 8 TYR C 1 1
5 1270 1 1 8 TYR CA C 1.650 1.493 3.348 1.00 . A A . 8 TYR CA 1 1
5 1271 1 1 8 TYR CB C 0.816 0.204 3.273 1.00 . A A . 8 TYR CB 1 1
5 1272 1 1 8 TYR CD1 C 1.283 -0.338 0.839 1.00 . A A . 8 TYR CD1 1 1
5 1273 1 1 8 TYR CD2 C -0.951 -0.510 1.623 1.00 . A A . 8 TYR CD2 1 1
5 1274 1 1 8 TYR CE1 C 0.876 -0.730 -0.424 1.00 . A A . 8 TYR CE1 1 1
5 1275 1 1 8 TYR CE2 C -1.371 -0.902 0.368 1.00 . A A . 8 TYR CE2 1 1
5 1276 1 1 8 TYR CG C 0.378 -0.219 1.881 1.00 . A A . 8 TYR CG 1 1
5 1277 1 1 8 TYR CZ C -0.454 -1.009 -0.655 1.00 . A A . 8 TYR CZ 1 1
5 1278 1 1 8 TYR H H 0.971 2.451 1.602 1.00 . A A . 8 TYR H 1 1
5 1279 1 1 8 TYR HA H 1.694 1.820 4.376 1.00 . A A . 8 TYR HA 1 1
5 1280 1 1 8 TYR HB2 H 1.402 -0.599 3.672 1.00 . A A . 8 TYR HB2 1 1
5 1281 1 1 8 TYR HB3 H -0.072 0.326 3.877 1.00 . A A . 8 TYR HB3 1 1
5 1282 1 1 8 TYR HD1 H 2.324 -0.121 1.027 1.00 . A A . 8 TYR HD1 1 1
5 1283 1 1 8 TYR HD2 H -1.669 -0.438 2.429 1.00 . A A . 8 TYR HD2 1 1
5 1284 1 1 8 TYR HE1 H 1.598 -0.813 -1.222 1.00 . A A . 8 TYR HE1 1 1
5 1285 1 1 8 TYR HE2 H -2.416 -1.131 0.199 1.00 . A A . 8 TYR HE2 1 1
5 1286 1 1 8 TYR HH H -1.676 -0.932 -2.140 1.00 . A A . 8 TYR HH 1 1
5 1287 1 1 8 TYR N N 1.040 2.553 2.575 1.00 . A A . 8 TYR N 1 1
5 1288 1 1 8 TYR O O 3.414 1.539 1.728 1.00 . A A . 8 TYR O 1 1
5 1289 1 1 8 TYR OH O -0.866 -1.398 -1.912 1.00 . A A . 8 TYR OH 1 1
5 1290 1 1 9 TRP C C 5.038 -1.227 2.736 1.00 . A A . 9 TRP C 1 1
5 1291 1 1 9 TRP CA C 5.174 0.170 3.311 1.00 . A A . 9 TRP CA 1 1
5 1292 1 1 9 TRP CB C 6.178 0.162 4.464 1.00 . A A . 9 TRP CB 1 1
5 1293 1 1 9 TRP CD1 C 8.089 -1.479 4.014 1.00 . A A . 9 TRP CD1 1 1
5 1294 1 1 9 TRP CD2 C 8.525 0.631 3.421 1.00 . A A . 9 TRP CD2 1 1
5 1295 1 1 9 TRP CE2 C 9.640 -0.161 3.100 1.00 . A A . 9 TRP CE2 1 1
5 1296 1 1 9 TRP CE3 C 8.568 1.999 3.141 1.00 . A A . 9 TRP CE3 1 1
5 1297 1 1 9 TRP CG C 7.544 -0.230 4.001 1.00 . A A . 9 TRP CG 1 1
5 1298 1 1 9 TRP CH2 C 10.790 1.712 2.249 1.00 . A A . 9 TRP CH2 1 1
5 1299 1 1 9 TRP CZ2 C 10.781 0.371 2.512 1.00 . A A . 9 TRP CZ2 1 1
5 1300 1 1 9 TRP CZ3 C 9.699 2.524 2.560 1.00 . A A . 9 TRP CZ3 1 1
5 1301 1 1 9 TRP H H 3.587 0.517 4.656 1.00 . A A . 9 TRP H 1 1
5 1302 1 1 9 TRP HA H 5.531 0.831 2.536 1.00 . A A . 9 TRP HA 1 1
5 1303 1 1 9 TRP HB2 H 6.235 1.148 4.899 1.00 . A A . 9 TRP HB2 1 1
5 1304 1 1 9 TRP HB3 H 5.858 -0.546 5.215 1.00 . A A . 9 TRP HB3 1 1
5 1305 1 1 9 TRP HD1 H 7.588 -2.356 4.394 1.00 . A A . 9 TRP HD1 1 1
5 1306 1 1 9 TRP HE1 H 9.941 -2.228 3.353 1.00 . A A . 9 TRP HE1 1 1
5 1307 1 1 9 TRP HE3 H 7.734 2.642 3.374 1.00 . A A . 9 TRP HE3 1 1
5 1308 1 1 9 TRP HH2 H 11.652 2.168 1.796 1.00 . A A . 9 TRP HH2 1 1
5 1309 1 1 9 TRP HZ2 H 11.633 -0.240 2.258 1.00 . A A . 9 TRP HZ2 1 1
5 1310 1 1 9 TRP HZ3 H 9.747 3.576 2.333 1.00 . A A . 9 TRP HZ3 1 1
5 1311 1 1 9 TRP N N 3.873 0.637 3.727 1.00 . A A . 9 TRP N 1 1
5 1312 1 1 9 TRP NE1 N 9.347 -1.450 3.465 1.00 . A A . 9 TRP NE1 1 1
5 1313 1 1 9 TRP O O 4.733 -2.180 3.459 1.00 . A A . 9 TRP O 1 1
5 1314 1 1 10 ASN C C 6.546 -3.075 0.338 1.00 . A A . 10 ASN C 1 1
5 1315 1 1 10 ASN CA C 5.156 -2.624 0.769 1.00 . A A . 10 ASN CA 1 1
5 1316 1 1 10 ASN CB C 4.230 -2.523 -0.448 1.00 . A A . 10 ASN CB 1 1
5 1317 1 1 10 ASN CG C 3.991 -3.860 -1.127 1.00 . A A . 10 ASN CG 1 1
5 1318 1 1 10 ASN H H 5.443 -0.538 0.914 1.00 . A A . 10 ASN H 1 1
5 1319 1 1 10 ASN HA H 4.751 -3.342 1.466 1.00 . A A . 10 ASN HA 1 1
5 1320 1 1 10 ASN HB2 H 3.275 -2.132 -0.130 1.00 . A A . 10 ASN HB2 1 1
5 1321 1 1 10 ASN HB3 H 4.667 -1.848 -1.169 1.00 . A A . 10 ASN HB3 1 1
5 1322 1 1 10 ASN HD21 H 5.558 -3.571 -2.313 1.00 . A A . 10 ASN HD21 1 1
5 1323 1 1 10 ASN HD22 H 4.696 -5.055 -2.553 1.00 . A A . 10 ASN HD22 1 1
5 1324 1 1 10 ASN N N 5.235 -1.340 1.438 1.00 . A A . 10 ASN N 1 1
5 1325 1 1 10 ASN ND2 N 4.832 -4.196 -2.094 1.00 . A A . 10 ASN ND2 1 1
5 1326 1 1 10 ASN O O 6.987 -2.783 -0.776 1.00 . A A . 10 ASN O 1 1
5 1327 1 1 10 ASN OD1 O 3.054 -4.582 -0.790 1.00 . A A . 10 ASN OD1 1 1
5 1328 1 1 11 GLY C C 9.634 -3.371 0.693 1.00 . A A . 11 GLY C 1 1
5 1329 1 1 11 GLY CA C 8.515 -4.373 0.932 1.00 . A A . 11 GLY CA 1 1
5 1330 1 1 11 GLY H H 6.846 -3.892 2.133 1.00 . A A . 11 GLY H 1 1
5 1331 1 1 11 GLY HA2 H 8.800 -5.010 1.754 1.00 . A A . 11 GLY HA2 1 1
5 1332 1 1 11 GLY HA3 H 8.407 -4.981 0.052 1.00 . A A . 11 GLY HA3 1 1
5 1333 1 1 11 GLY N N 7.227 -3.775 1.237 1.00 . A A . 11 GLY N 1 1
5 1334 1 1 11 GLY O O 10.501 -3.185 1.546 1.00 . A A . 11 GLY O 1 1
5 1335 1 1 12 SER C C 10.394 -0.407 -0.846 1.00 . A A . 12 SER C 1 1
5 1336 1 1 12 SER CA C 10.735 -1.901 -0.891 1.00 . A A . 12 SER CA 1 1
5 1337 1 1 12 SER CB C 11.177 -2.320 -2.300 1.00 . A A . 12 SER CB 1 1
5 1338 1 1 12 SER H H 8.839 -2.829 -1.055 1.00 . A A . 12 SER H 1 1
5 1339 1 1 12 SER HA H 11.552 -2.084 -0.210 1.00 . A A . 12 SER HA 1 1
5 1340 1 1 12 SER HB2 H 11.486 -3.353 -2.282 1.00 . A A . 12 SER HB2 1 1
5 1341 1 1 12 SER HB3 H 10.348 -2.211 -2.981 1.00 . A A . 12 SER HB3 1 1
5 1342 1 1 12 SER HG H 13.063 -2.072 -2.776 1.00 . A A . 12 SER HG 1 1
5 1343 1 1 12 SER N N 9.622 -2.735 -0.467 1.00 . A A . 12 SER N 1 1
5 1344 1 1 12 SER O O 11.285 0.426 -0.659 1.00 . A A . 12 SER O 1 1
5 1345 1 1 12 SER OG O 12.261 -1.535 -2.769 1.00 . A A . 12 SER OG 1 1
5 1346 1 1 13 LYS C C 7.463 1.571 -0.187 1.00 . A A . 13 LYS C 1 1
5 1347 1 1 13 LYS CA C 8.733 1.359 -0.989 1.00 . A A . 13 LYS CA 1 1
5 1348 1 1 13 LYS CB C 8.468 1.933 -2.392 1.00 . A A . 13 LYS CB 1 1
5 1349 1 1 13 LYS CD C 9.236 0.227 -4.043 1.00 . A A . 13 LYS CD 1 1
5 1350 1 1 13 LYS CE C 9.559 0.185 -5.519 1.00 . A A . 13 LYS CE 1 1
5 1351 1 1 13 LYS CG C 9.481 1.595 -3.470 1.00 . A A . 13 LYS CG 1 1
5 1352 1 1 13 LYS H H 8.434 -0.743 -1.133 1.00 . A A . 13 LYS H 1 1
5 1353 1 1 13 LYS HA H 9.533 1.914 -0.528 1.00 . A A . 13 LYS HA 1 1
5 1354 1 1 13 LYS HB2 H 7.509 1.578 -2.728 1.00 . A A . 13 LYS HB2 1 1
5 1355 1 1 13 LYS HB3 H 8.420 3.010 -2.309 1.00 . A A . 13 LYS HB3 1 1
5 1356 1 1 13 LYS HD2 H 9.844 -0.492 -3.522 1.00 . A A . 13 LYS HD2 1 1
5 1357 1 1 13 LYS HD3 H 8.198 -0.002 -3.910 1.00 . A A . 13 LYS HD3 1 1
5 1358 1 1 13 LYS HE2 H 8.847 0.814 -6.032 1.00 . A A . 13 LYS HE2 1 1
5 1359 1 1 13 LYS HE3 H 10.557 0.568 -5.671 1.00 . A A . 13 LYS HE3 1 1
5 1360 1 1 13 LYS HG2 H 9.384 2.306 -4.264 1.00 . A A . 13 LYS HG2 1 1
5 1361 1 1 13 LYS HG3 H 10.477 1.637 -3.054 1.00 . A A . 13 LYS HG3 1 1
5 1362 1 1 13 LYS HZ1 H 8.528 -1.589 -5.900 1.00 . A A . 13 LYS HZ1 1 1
5 1363 1 1 13 LYS HZ2 H 10.181 -1.805 -5.619 1.00 . A A . 13 LYS HZ2 1 1
5 1364 1 1 13 LYS HZ3 H 9.650 -1.180 -7.094 1.00 . A A . 13 LYS HZ3 1 1
5 1365 1 1 13 LYS N N 9.120 -0.053 -1.011 1.00 . A A . 13 LYS N 1 1
5 1366 1 1 13 LYS NZ N 9.473 -1.192 -6.070 1.00 . A A . 13 LYS NZ 1 1
5 1367 1 1 13 LYS O O 6.734 0.628 0.123 1.00 . A A . 13 LYS O 1 1
5 1368 1 1 14 ASP C C 5.012 3.548 -0.514 1.00 . A A . 14 ASP C 1 1
5 1369 1 1 14 ASP CA C 5.936 3.263 0.660 1.00 . A A . 14 ASP CA 1 1
5 1370 1 1 14 ASP CB C 6.104 4.512 1.531 1.00 . A A . 14 ASP CB 1 1
5 1371 1 1 14 ASP CG C 4.781 5.090 1.997 1.00 . A A . 14 ASP CG 1 1
5 1372 1 1 14 ASP H H 7.926 3.497 0.010 1.00 . A A . 14 ASP H 1 1
5 1373 1 1 14 ASP HA H 5.523 2.458 1.252 1.00 . A A . 14 ASP HA 1 1
5 1374 1 1 14 ASP HB2 H 6.687 4.256 2.403 1.00 . A A . 14 ASP HB2 1 1
5 1375 1 1 14 ASP HB3 H 6.628 5.269 0.965 1.00 . A A . 14 ASP HB3 1 1
5 1376 1 1 14 ASP N N 7.217 2.831 0.134 1.00 . A A . 14 ASP N 1 1
5 1377 1 1 14 ASP O O 5.277 4.436 -1.329 1.00 . A A . 14 ASP O 1 1
5 1378 1 1 14 ASP OD1 O 4.164 4.520 2.921 1.00 . A A . 14 ASP OD1 1 1
5 1379 1 1 14 ASP OD2 O 4.367 6.139 1.456 1.00 . A A . 14 ASP OD2 1 1
5 1380 1 1 15 VAL C C 1.650 3.081 -1.285 1.00 . A A . 15 VAL C 1 1
5 1381 1 1 15 VAL CA C 3.069 2.827 -1.755 1.00 . A A . 15 VAL CA 1 1
5 1382 1 1 15 VAL CB C 3.121 1.512 -2.573 1.00 . A A . 15 VAL CB 1 1
5 1383 1 1 15 VAL CG1 C 2.216 1.597 -3.794 1.00 . A A . 15 VAL CG1 1 1
5 1384 1 1 15 VAL CG2 C 4.551 1.184 -2.990 1.00 . A A . 15 VAL CG2 1 1
5 1385 1 1 15 VAL H H 3.717 2.185 0.127 1.00 . A A . 15 VAL H 1 1
5 1386 1 1 15 VAL HA H 3.385 3.641 -2.391 1.00 . A A . 15 VAL HA 1 1
5 1387 1 1 15 VAL HB H 2.762 0.710 -1.944 1.00 . A A . 15 VAL HB 1 1
5 1388 1 1 15 VAL HG11 H 2.527 2.424 -4.415 1.00 . A A . 15 VAL HG11 1 1
5 1389 1 1 15 VAL HG12 H 1.195 1.749 -3.477 1.00 . A A . 15 VAL HG12 1 1
5 1390 1 1 15 VAL HG13 H 2.286 0.678 -4.358 1.00 . A A . 15 VAL HG13 1 1
5 1391 1 1 15 VAL HG21 H 4.933 1.973 -3.621 1.00 . A A . 15 VAL HG21 1 1
5 1392 1 1 15 VAL HG22 H 4.563 0.252 -3.536 1.00 . A A . 15 VAL HG22 1 1
5 1393 1 1 15 VAL HG23 H 5.171 1.094 -2.111 1.00 . A A . 15 VAL HG23 1 1
5 1394 1 1 15 VAL N N 3.946 2.779 -0.613 1.00 . A A . 15 VAL N 1 1
5 1395 1 1 15 VAL O O 1.133 2.383 -0.416 1.00 . A A . 15 VAL O 1 1
5 1396 1 1 16 CYS C C -1.297 3.797 -2.437 1.00 . A A . 16 CYS C 1 1
5 1397 1 1 16 CYS CA C -0.317 4.452 -1.478 1.00 . A A . 16 CYS CA 1 1
5 1398 1 1 16 CYS CB C -0.511 5.964 -1.482 1.00 . A A . 16 CYS CB 1 1
5 1399 1 1 16 CYS H H 1.543 4.655 -2.465 1.00 . A A . 16 CYS H 1 1
5 1400 1 1 16 CYS HA H -0.510 4.077 -0.488 1.00 . A A . 16 CYS HA 1 1
5 1401 1 1 16 CYS HB2 H -0.585 6.299 -2.497 1.00 . A A . 16 CYS HB2 1 1
5 1402 1 1 16 CYS HB3 H -1.429 6.201 -0.965 1.00 . A A . 16 CYS HB3 1 1
5 1403 1 1 16 CYS N N 1.050 4.107 -1.826 1.00 . A A . 16 CYS N 1 1
5 1404 1 1 16 CYS O O -0.995 3.601 -3.615 1.00 . A A . 16 CYS O 1 1
5 1405 1 1 16 CYS SG S 0.838 6.890 -0.675 1.00 . A A . 16 CYS SG 1 1
5 1406 1 1 17 SER C C -4.792 2.733 -1.894 1.00 . A A . 17 SER C 1 1
5 1407 1 1 17 SER CA C -3.484 2.764 -2.681 1.00 . A A . 17 SER CA 1 1
5 1408 1 1 17 SER CB C -3.017 1.338 -2.993 1.00 . A A . 17 SER CB 1 1
5 1409 1 1 17 SER H H -2.658 3.718 -0.989 1.00 . A A . 17 SER H 1 1
5 1410 1 1 17 SER HA H -3.639 3.298 -3.605 1.00 . A A . 17 SER HA 1 1
5 1411 1 1 17 SER HB2 H -2.025 1.371 -3.417 1.00 . A A . 17 SER HB2 1 1
5 1412 1 1 17 SER HB3 H -2.998 0.762 -2.079 1.00 . A A . 17 SER HB3 1 1
5 1413 1 1 17 SER HG H -3.733 1.065 -4.797 1.00 . A A . 17 SER HG 1 1
5 1414 1 1 17 SER N N -2.467 3.467 -1.920 1.00 . A A . 17 SER N 1 1
5 1415 1 1 17 SER O O -4.787 2.621 -0.665 1.00 . A A . 17 SER O 1 1
5 1416 1 1 17 SER OG O -3.884 0.701 -3.914 1.00 . A A . 17 SER OG 1 1
5 1417 1 1 18 GLN C C -7.791 1.424 -1.931 1.00 . A A . 18 GLN C 1 1
5 1418 1 1 18 GLN CA C -7.214 2.832 -1.958 1.00 . A A . 18 GLN CA 1 1
5 1419 1 1 18 GLN CB C -8.164 3.785 -2.683 1.00 . A A . 18 GLN CB 1 1
5 1420 1 1 18 GLN CD C -8.761 6.177 -3.225 1.00 . A A . 18 GLN CD 1 1
5 1421 1 1 18 GLN CG C -7.797 5.244 -2.519 1.00 . A A . 18 GLN CG 1 1
5 1422 1 1 18 GLN H H -5.853 2.924 -3.574 1.00 . A A . 18 GLN H 1 1
5 1423 1 1 18 GLN HA H -7.087 3.168 -0.933 1.00 . A A . 18 GLN HA 1 1
5 1424 1 1 18 GLN HB2 H -8.161 3.551 -3.735 1.00 . A A . 18 GLN HB2 1 1
5 1425 1 1 18 GLN HB3 H -9.155 3.647 -2.295 1.00 . A A . 18 GLN HB3 1 1
5 1426 1 1 18 GLN HE21 H -9.118 4.812 -4.619 1.00 . A A . 18 GLN HE21 1 1
5 1427 1 1 18 GLN HE22 H -9.965 6.307 -4.795 1.00 . A A . 18 GLN HE22 1 1
5 1428 1 1 18 GLN HG2 H -7.812 5.473 -1.467 1.00 . A A . 18 GLN HG2 1 1
5 1429 1 1 18 GLN HG3 H -6.805 5.404 -2.912 1.00 . A A . 18 GLN HG3 1 1
5 1430 1 1 18 GLN N N -5.908 2.843 -2.597 1.00 . A A . 18 GLN N 1 1
5 1431 1 1 18 GLN NE2 N -9.339 5.719 -4.322 1.00 . A A . 18 GLN NE2 1 1
5 1432 1 1 18 GLN O O -8.653 1.067 -2.732 1.00 . A A . 18 GLN O 1 1
5 1433 1 1 18 GLN OE1 O -8.985 7.306 -2.786 1.00 . A A . 18 GLN OE1 1 1
5 1434 1 1 19 SER C C -9.093 -0.732 -0.026 1.00 . A A . 19 SER C 1 1
5 1435 1 1 19 SER CA C -7.770 -0.724 -0.786 1.00 . A A . 19 SER CA 1 1
5 1436 1 1 19 SER CB C -6.729 -1.448 0.017 1.00 . A A . 19 SER CB 1 1
5 1437 1 1 19 SER H H -6.587 0.979 -0.413 1.00 . A A . 19 SER H 1 1
5 1438 1 1 19 SER HA H -7.877 -1.220 -1.744 1.00 . A A . 19 SER HA 1 1
5 1439 1 1 19 SER HB2 H -6.752 -1.084 1.028 1.00 . A A . 19 SER HB2 1 1
5 1440 1 1 19 SER HB3 H -6.935 -2.504 0.011 1.00 . A A . 19 SER HB3 1 1
5 1441 1 1 19 SER HG H -4.874 -0.816 0.152 1.00 . A A . 19 SER HG 1 1
5 1442 1 1 19 SER N N -7.307 0.638 -0.988 1.00 . A A . 19 SER N 1 1
5 1443 1 1 19 SER O O -10.118 -1.178 -0.535 1.00 . A A . 19 SER O 1 1
5 1444 1 1 19 SER OG O -5.440 -1.214 -0.526 1.00 . A A . 19 SER OG 1 1
5 1445 1 1 20 CYS C C -11.074 1.089 1.781 1.00 . A A . 20 CYS C 1 1
5 1446 1 1 20 CYS CA C -10.229 -0.153 2.062 1.00 . A A . 20 CYS CA 1 1
5 1447 1 1 20 CYS CB C -9.797 -0.181 3.537 1.00 . A A . 20 CYS CB 1 1
5 1448 1 1 20 CYS H H -8.217 0.186 1.515 1.00 . A A . 20 CYS H 1 1
5 1449 1 1 20 CYS HA H -10.822 -1.030 1.855 1.00 . A A . 20 CYS HA 1 1
5 1450 1 1 20 CYS HB2 H -9.178 0.680 3.739 1.00 . A A . 20 CYS HB2 1 1
5 1451 1 1 20 CYS HB3 H -10.676 -0.139 4.162 1.00 . A A . 20 CYS HB3 1 1
5 1452 1 1 20 CYS N N -9.058 -0.193 1.192 1.00 . A A . 20 CYS N 1 1
5 1453 1 1 20 CYS O O -11.697 1.646 2.681 1.00 . A A . 20 CYS O 1 1
5 1454 1 1 20 CYS SG S -8.847 -1.669 4.011 1.00 . A A . 20 CYS SG 1 1
5 1455 1 1 21 CYS C C -12.651 2.282 -1.159 1.00 . A A . 21 CYS C 1 1
5 1456 1 1 21 CYS CA C -11.878 2.655 0.101 1.00 . A A . 21 CYS CA 1 1
5 1457 1 1 21 CYS CB C -11.001 3.885 -0.170 1.00 . A A . 21 CYS CB 1 1
5 1458 1 1 21 CYS H H -10.539 1.043 -0.140 1.00 . A A . 21 CYS H 1 1
5 1459 1 1 21 CYS HA H -12.581 2.884 0.889 1.00 . A A . 21 CYS HA 1 1
5 1460 1 1 21 CYS HB2 H -10.195 3.597 -0.820 1.00 . A A . 21 CYS HB2 1 1
5 1461 1 1 21 CYS HB3 H -11.598 4.639 -0.661 1.00 . A A . 21 CYS HB3 1 1
5 1462 1 1 21 CYS N N -11.075 1.520 0.528 1.00 . A A . 21 CYS N 1 1
5 1463 1 1 21 CYS O O -12.203 2.648 -2.266 1.00 . A A . 21 CYS O 1 1
5 1464 1 1 21 CYS OXT O -13.683 1.593 -1.039 1.00 . A A . 21 CYS OXT 1 1
5 1465 1 1 21 CYS SG S -10.256 4.649 1.311 1.00 . A A . 21 CYS SG 1 1
6 1466 1 1 1 THR C C -0.898 -4.903 0.377 1.00 . A A . 1 THR C 1 1
6 1467 1 1 1 THR CA C 0.091 -6.056 0.540 1.00 . A A . 1 THR CA 1 1
6 1468 1 1 1 THR CB C 0.127 -6.901 -0.748 1.00 . A A . 1 THR CB 1 1
6 1469 1 1 1 THR CG2 C 0.689 -6.101 -1.913 1.00 . A A . 1 THR CG2 1 1
6 1470 1 1 1 THR H1 H -0.218 -6.342 2.577 1.00 . A A . 1 THR H1 1 1
6 1471 1 1 1 THR H2 H 0.367 -7.706 1.769 1.00 . A A . 1 THR H2 1 1
6 1472 1 1 1 THR H3 H -1.247 -7.248 1.590 1.00 . A A . 1 THR H3 1 1
6 1473 1 1 1 THR HA H 1.076 -5.649 0.710 1.00 . A A . 1 THR HA 1 1
6 1474 1 1 1 THR HB H -0.881 -7.202 -0.991 1.00 . A A . 1 THR HB 1 1
6 1475 1 1 1 THR HG1 H 1.526 -8.191 -1.286 1.00 . A A . 1 THR HG1 1 1
6 1476 1 1 1 THR HG21 H 0.073 -5.231 -2.083 1.00 . A A . 1 THR HG21 1 1
6 1477 1 1 1 THR HG22 H 0.697 -6.715 -2.802 1.00 . A A . 1 THR HG22 1 1
6 1478 1 1 1 THR HG23 H 1.697 -5.789 -1.684 1.00 . A A . 1 THR HG23 1 1
6 1479 1 1 1 THR N N -0.276 -6.894 1.699 1.00 . A A . 1 THR N 1 1
6 1480 1 1 1 THR O O -0.542 -3.743 0.547 1.00 . A A . 1 THR O 1 1
6 1481 1 1 1 THR OG1 O 0.928 -8.072 -0.536 1.00 . A A . 1 THR OG1 1 1
6 1482 1 1 2 ARG C C -3.749 -3.709 1.204 1.00 . A A . 2 ARG C 1 1
6 1483 1 1 2 ARG CA C -3.215 -4.278 -0.121 1.00 . A A . 2 ARG CA 1 1
6 1484 1 1 2 ARG CB C -4.327 -4.975 -0.892 1.00 . A A . 2 ARG CB 1 1
6 1485 1 1 2 ARG CD C -6.250 -4.798 -2.411 1.00 . A A . 2 ARG CD 1 1
6 1486 1 1 2 ARG CG C -5.359 -4.053 -1.477 1.00 . A A . 2 ARG CG 1 1
6 1487 1 1 2 ARG CZ C -8.452 -5.859 -2.049 1.00 . A A . 2 ARG CZ 1 1
6 1488 1 1 2 ARG H H -2.366 -6.187 -0.073 1.00 . A A . 2 ARG H 1 1
6 1489 1 1 2 ARG HA H -2.829 -3.468 -0.717 1.00 . A A . 2 ARG HA 1 1
6 1490 1 1 2 ARG HB2 H -3.887 -5.540 -1.699 1.00 . A A . 2 ARG HB2 1 1
6 1491 1 1 2 ARG HB3 H -4.830 -5.653 -0.230 1.00 . A A . 2 ARG HB3 1 1
6 1492 1 1 2 ARG HD2 H -6.805 -4.096 -3.014 1.00 . A A . 2 ARG HD2 1 1
6 1493 1 1 2 ARG HD3 H -5.611 -5.386 -3.027 1.00 . A A . 2 ARG HD3 1 1
6 1494 1 1 2 ARG HE H -6.833 -6.153 -0.910 1.00 . A A . 2 ARG HE 1 1
6 1495 1 1 2 ARG HG2 H -5.956 -3.642 -0.685 1.00 . A A . 2 ARG HG2 1 1
6 1496 1 1 2 ARG HG3 H -4.860 -3.269 -2.012 1.00 . A A . 2 ARG HG3 1 1
6 1497 1 1 2 ARG HH11 H -8.360 -4.675 -3.691 1.00 . A A . 2 ARG HH11 1 1
6 1498 1 1 2 ARG HH12 H -9.906 -5.401 -3.388 1.00 . A A . 2 ARG HH12 1 1
6 1499 1 1 2 ARG HH21 H -8.858 -7.112 -0.509 1.00 . A A . 2 ARG HH21 1 1
6 1500 1 1 2 ARG HH22 H -10.191 -6.783 -1.571 1.00 . A A . 2 ARG HH22 1 1
6 1501 1 1 2 ARG N N -2.146 -5.240 0.073 1.00 . A A . 2 ARG N 1 1
6 1502 1 1 2 ARG NE N -7.179 -5.678 -1.702 1.00 . A A . 2 ARG NE 1 1
6 1503 1 1 2 ARG NH1 N -8.944 -5.263 -3.128 1.00 . A A . 2 ARG NH1 1 1
6 1504 1 1 2 ARG NH2 N -9.229 -6.649 -1.319 1.00 . A A . 2 ARG NH2 1 1
6 1505 1 1 2 ARG O O -4.934 -3.400 1.309 1.00 . A A . 2 ARG O 1 1
6 1506 1 1 3 ILE C C -4.015 -1.879 3.598 1.00 . A A . 3 ILE C 1 1
6 1507 1 1 3 ILE CA C -3.317 -3.237 3.573 1.00 . A A . 3 ILE CA 1 1
6 1508 1 1 3 ILE CB C -2.107 -3.183 4.528 1.00 . A A . 3 ILE CB 1 1
6 1509 1 1 3 ILE CD1 C 0.452 -3.178 4.553 1.00 . A A . 3 ILE CD1 1 1
6 1510 1 1 3 ILE CG1 C -0.815 -3.377 3.746 1.00 . A A . 3 ILE CG1 1 1
6 1511 1 1 3 ILE CG2 C -2.236 -4.233 5.607 1.00 . A A . 3 ILE CG2 1 1
6 1512 1 1 3 ILE H H -1.953 -3.811 2.059 1.00 . A A . 3 ILE H 1 1
6 1513 1 1 3 ILE HA H -3.997 -3.981 3.937 1.00 . A A . 3 ILE HA 1 1
6 1514 1 1 3 ILE HB H -2.091 -2.214 4.997 1.00 . A A . 3 ILE HB 1 1
6 1515 1 1 3 ILE HD11 H 1.312 -3.227 3.894 1.00 . A A . 3 ILE HD11 1 1
6 1516 1 1 3 ILE HD12 H 0.527 -3.950 5.304 1.00 . A A . 3 ILE HD12 1 1
6 1517 1 1 3 ILE HD13 H 0.424 -2.210 5.032 1.00 . A A . 3 ILE HD13 1 1
6 1518 1 1 3 ILE HG12 H -0.801 -4.378 3.345 1.00 . A A . 3 ILE HG12 1 1
6 1519 1 1 3 ILE HG13 H -0.810 -2.675 2.934 1.00 . A A . 3 ILE HG13 1 1
6 1520 1 1 3 ILE HG21 H -1.374 -4.182 6.253 1.00 . A A . 3 ILE HG21 1 1
6 1521 1 1 3 ILE HG22 H -2.289 -5.207 5.150 1.00 . A A . 3 ILE HG22 1 1
6 1522 1 1 3 ILE HG23 H -3.130 -4.050 6.182 1.00 . A A . 3 ILE HG23 1 1
6 1523 1 1 3 ILE N N -2.894 -3.628 2.223 1.00 . A A . 3 ILE N 1 1
6 1524 1 1 3 ILE O O -3.401 -0.841 3.825 1.00 . A A . 3 ILE O 1 1
6 1525 1 1 4 CYS C C -5.752 0.376 2.618 1.00 . A A . 4 CYS C 1 1
6 1526 1 1 4 CYS CA C -6.239 -0.806 3.459 1.00 . A A . 4 CYS CA 1 1
6 1527 1 1 4 CYS CB C -6.592 -0.323 4.860 1.00 . A A . 4 CYS CB 1 1
6 1528 1 1 4 CYS H H -5.710 -2.853 3.422 1.00 . A A . 4 CYS H 1 1
6 1529 1 1 4 CYS HA H -7.145 -1.159 3.003 1.00 . A A . 4 CYS HA 1 1
6 1530 1 1 4 CYS HB2 H -6.056 -0.908 5.592 1.00 . A A . 4 CYS HB2 1 1
6 1531 1 1 4 CYS HB3 H -6.317 0.722 4.951 1.00 . A A . 4 CYS HB3 1 1
6 1532 1 1 4 CYS N N -5.327 -1.957 3.500 1.00 . A A . 4 CYS N 1 1
6 1533 1 1 4 CYS O O -4.750 0.315 1.917 1.00 . A A . 4 CYS O 1 1
6 1534 1 1 4 CYS SG S -8.370 -0.456 5.211 1.00 . A A . 4 CYS SG 1 1
6 1535 1 1 5 CYS C C -5.314 3.586 2.877 1.00 . A A . 5 CYS C 1 1
6 1536 1 1 5 CYS CA C -6.150 2.677 1.995 1.00 . A A . 5 CYS CA 1 1
6 1537 1 1 5 CYS CB C -7.428 3.401 1.603 1.00 . A A . 5 CYS CB 1 1
6 1538 1 1 5 CYS H H -7.315 1.439 3.233 1.00 . A A . 5 CYS H 1 1
6 1539 1 1 5 CYS HA H -5.599 2.417 1.112 1.00 . A A . 5 CYS HA 1 1
6 1540 1 1 5 CYS HB2 H -7.965 3.638 2.502 1.00 . A A . 5 CYS HB2 1 1
6 1541 1 1 5 CYS HB3 H -7.177 4.312 1.081 1.00 . A A . 5 CYS HB3 1 1
6 1542 1 1 5 CYS N N -6.484 1.467 2.713 1.00 . A A . 5 CYS N 1 1
6 1543 1 1 5 CYS O O -5.264 3.418 4.097 1.00 . A A . 5 CYS O 1 1
6 1544 1 1 5 CYS SG S -8.538 2.430 0.537 1.00 . A A . 5 CYS SG 1 1
6 1545 1 1 6 GLY C C -2.333 5.183 2.298 1.00 . A A . 6 GLY C 1 1
6 1546 1 1 6 GLY CA C -3.679 5.341 2.941 1.00 . A A . 6 GLY CA 1 1
6 1547 1 1 6 GLY H H -4.791 4.666 1.285 1.00 . A A . 6 GLY H 1 1
6 1548 1 1 6 GLY HA2 H -3.977 6.375 2.900 1.00 . A A . 6 GLY HA2 1 1
6 1549 1 1 6 GLY HA3 H -3.618 5.026 3.971 1.00 . A A . 6 GLY HA3 1 1
6 1550 1 1 6 GLY N N -4.645 4.529 2.249 1.00 . A A . 6 GLY N 1 1
6 1551 1 1 6 GLY O O -2.196 5.373 1.090 1.00 . A A . 6 GLY O 1 1
6 1552 1 1 7 CYS C C 0.689 3.535 3.457 1.00 . A A . 7 CYS C 1 1
6 1553 1 1 7 CYS CA C -0.048 4.490 2.535 1.00 . A A . 7 CYS CA 1 1
6 1554 1 1 7 CYS CB C 0.777 5.751 2.307 1.00 . A A . 7 CYS CB 1 1
6 1555 1 1 7 CYS H H -1.492 4.760 4.048 1.00 . A A . 7 CYS H 1 1
6 1556 1 1 7 CYS HA H -0.204 3.999 1.586 1.00 . A A . 7 CYS HA 1 1
6 1557 1 1 7 CYS HB2 H 0.127 6.553 1.990 1.00 . A A . 7 CYS HB2 1 1
6 1558 1 1 7 CYS HB3 H 1.254 6.022 3.233 1.00 . A A . 7 CYS HB3 1 1
6 1559 1 1 7 CYS N N -1.346 4.812 3.081 1.00 . A A . 7 CYS N 1 1
6 1560 1 1 7 CYS O O 0.772 3.755 4.667 1.00 . A A . 7 CYS O 1 1
6 1561 1 1 7 CYS SG S 2.081 5.555 1.051 1.00 . A A . 7 CYS SG 1 1
6 1562 1 1 8 TYR C C 3.218 1.088 2.959 1.00 . A A . 8 TYR C 1 1
6 1563 1 1 8 TYR CA C 1.889 1.429 3.614 1.00 . A A . 8 TYR CA 1 1
6 1564 1 1 8 TYR CB C 1.010 0.175 3.678 1.00 . A A . 8 TYR CB 1 1
6 1565 1 1 8 TYR CD1 C 1.030 -0.381 1.203 1.00 . A A . 8 TYR CD1 1 1
6 1566 1 1 8 TYR CD2 C -1.061 -0.325 2.329 1.00 . A A . 8 TYR CD2 1 1
6 1567 1 1 8 TYR CE1 C 0.391 -0.707 0.022 1.00 . A A . 8 TYR CE1 1 1
6 1568 1 1 8 TYR CE2 C -1.708 -0.651 1.155 1.00 . A A . 8 TYR CE2 1 1
6 1569 1 1 8 TYR CG C 0.315 -0.184 2.377 1.00 . A A . 8 TYR CG 1 1
6 1570 1 1 8 TYR CZ C -0.979 -0.839 0.006 1.00 . A A . 8 TYR CZ 1 1
6 1571 1 1 8 TYR H H 1.153 2.396 1.902 1.00 . A A . 8 TYR H 1 1
6 1572 1 1 8 TYR HA H 2.068 1.788 4.614 1.00 . A A . 8 TYR HA 1 1
6 1573 1 1 8 TYR HB2 H 1.630 -0.660 3.946 1.00 . A A . 8 TYR HB2 1 1
6 1574 1 1 8 TYR HB3 H 0.251 0.311 4.436 1.00 . A A . 8 TYR HB3 1 1
6 1575 1 1 8 TYR HD1 H 2.104 -0.277 1.225 1.00 . A A . 8 TYR HD1 1 1
6 1576 1 1 8 TYR HD2 H -1.638 -0.192 3.236 1.00 . A A . 8 TYR HD2 1 1
6 1577 1 1 8 TYR HE1 H 0.964 -0.855 -0.880 1.00 . A A . 8 TYR HE1 1 1
6 1578 1 1 8 TYR HE2 H -2.784 -0.757 1.144 1.00 . A A . 8 TYR HE2 1 1
6 1579 1 1 8 TYR HH H -1.173 -1.917 -1.575 1.00 . A A . 8 TYR HH 1 1
6 1580 1 1 8 TYR N N 1.213 2.476 2.873 1.00 . A A . 8 TYR N 1 1
6 1581 1 1 8 TYR O O 3.416 1.359 1.776 1.00 . A A . 8 TYR O 1 1
6 1582 1 1 8 TYR OH O -1.625 -1.172 -1.162 1.00 . A A . 8 TYR OH 1 1
6 1583 1 1 9 TRP C C 5.155 -1.346 2.528 1.00 . A A . 9 TRP C 1 1
6 1584 1 1 9 TRP CA C 5.373 0.024 3.150 1.00 . A A . 9 TRP CA 1 1
6 1585 1 1 9 TRP CB C 6.492 -0.044 4.196 1.00 . A A . 9 TRP CB 1 1
6 1586 1 1 9 TRP CD1 C 8.203 -1.778 3.415 1.00 . A A . 9 TRP CD1 1 1
6 1587 1 1 9 TRP CD2 C 8.858 0.340 3.124 1.00 . A A . 9 TRP CD2 1 1
6 1588 1 1 9 TRP CE2 C 9.867 -0.513 2.642 1.00 . A A . 9 TRP CE2 1 1
6 1589 1 1 9 TRP CE3 C 9.054 1.721 3.046 1.00 . A A . 9 TRP CE3 1 1
6 1590 1 1 9 TRP CG C 7.797 -0.491 3.608 1.00 . A A . 9 TRP CG 1 1
6 1591 1 1 9 TRP CH2 C 11.212 1.325 2.030 1.00 . A A . 9 TRP CH2 1 1
6 1592 1 1 9 TRP CZ2 C 11.050 -0.030 2.091 1.00 . A A . 9 TRP CZ2 1 1
6 1593 1 1 9 TRP CZ3 C 10.228 2.196 2.501 1.00 . A A . 9 TRP CZ3 1 1
6 1594 1 1 9 TRP H H 3.949 0.368 4.675 1.00 . A A . 9 TRP H 1 1
6 1595 1 1 9 TRP HA H 5.663 0.714 2.371 1.00 . A A . 9 TRP HA 1 1
6 1596 1 1 9 TRP HB2 H 6.636 0.931 4.631 1.00 . A A . 9 TRP HB2 1 1
6 1597 1 1 9 TRP HB3 H 6.215 -0.744 4.971 1.00 . A A . 9 TRP HB3 1 1
6 1598 1 1 9 TRP HD1 H 7.616 -2.642 3.680 1.00 . A A . 9 TRP HD1 1 1
6 1599 1 1 9 TRP HE1 H 9.936 -2.614 2.569 1.00 . A A . 9 TRP HE1 1 1
6 1600 1 1 9 TRP HE3 H 8.308 2.411 3.402 1.00 . A A . 9 TRP HE3 1 1
6 1601 1 1 9 TRP HH2 H 12.113 1.744 1.615 1.00 . A A . 9 TRP HH2 1 1
6 1602 1 1 9 TRP HZ2 H 11.820 -0.689 1.721 1.00 . A A . 9 TRP HZ2 1 1
6 1603 1 1 9 TRP HZ3 H 10.396 3.258 2.434 1.00 . A A . 9 TRP HZ3 1 1
6 1604 1 1 9 TRP N N 4.127 0.500 3.720 1.00 . A A . 9 TRP N 1 1
6 1605 1 1 9 TRP NE1 N 9.437 -1.801 2.824 1.00 . A A . 9 TRP NE1 1 1
6 1606 1 1 9 TRP O O 5.281 -2.376 3.191 1.00 . A A . 9 TRP O 1 1
6 1607 1 1 10 ASN C C 5.956 -3.059 -0.042 1.00 . A A . 10 ASN C 1 1
6 1608 1 1 10 ASN CA C 4.621 -2.593 0.532 1.00 . A A . 10 ASN CA 1 1
6 1609 1 1 10 ASN CB C 3.595 -2.417 -0.589 1.00 . A A . 10 ASN CB 1 1
6 1610 1 1 10 ASN CG C 3.349 -3.698 -1.364 1.00 . A A . 10 ASN CG 1 1
6 1611 1 1 10 ASN H H 4.604 -0.502 0.815 1.00 . A A . 10 ASN H 1 1
6 1612 1 1 10 ASN HA H 4.260 -3.341 1.223 1.00 . A A . 10 ASN HA 1 1
6 1613 1 1 10 ASN HB2 H 2.658 -2.094 -0.162 1.00 . A A . 10 ASN HB2 1 1
6 1614 1 1 10 ASN HB3 H 3.951 -1.664 -1.277 1.00 . A A . 10 ASN HB3 1 1
6 1615 1 1 10 ASN HD21 H 2.950 -2.654 -3.004 1.00 . A A . 10 ASN HD21 1 1
6 1616 1 1 10 ASN HD22 H 2.852 -4.371 -3.163 1.00 . A A . 10 ASN HD22 1 1
6 1617 1 1 10 ASN N N 4.785 -1.353 1.264 1.00 . A A . 10 ASN N 1 1
6 1618 1 1 10 ASN ND2 N 3.016 -3.562 -2.637 1.00 . A A . 10 ASN ND2 1 1
6 1619 1 1 10 ASN O O 6.328 -2.695 -1.160 1.00 . A A . 10 ASN O 1 1
6 1620 1 1 10 ASN OD1 O 3.453 -4.799 -0.824 1.00 . A A . 10 ASN OD1 1 1
6 1621 1 1 11 GLY C C 9.070 -3.586 0.063 1.00 . A A . 11 GLY C 1 1
6 1622 1 1 11 GLY CA C 7.885 -4.504 0.287 1.00 . A A . 11 GLY CA 1 1
6 1623 1 1 11 GLY H H 6.384 -3.973 1.679 1.00 . A A . 11 GLY H 1 1
6 1624 1 1 11 GLY HA2 H 8.167 -5.243 1.019 1.00 . A A . 11 GLY HA2 1 1
6 1625 1 1 11 GLY HA3 H 7.663 -5.006 -0.637 1.00 . A A . 11 GLY HA3 1 1
6 1626 1 1 11 GLY N N 6.679 -3.840 0.751 1.00 . A A . 11 GLY N 1 1
6 1627 1 1 11 GLY O O 10.009 -3.578 0.855 1.00 . A A . 11 GLY O 1 1
6 1628 1 1 12 SER C C 10.007 -0.554 -1.207 1.00 . A A . 12 SER C 1 1
6 1629 1 1 12 SER CA C 10.195 -2.051 -1.437 1.00 . A A . 12 SER CA 1 1
6 1630 1 1 12 SER CB C 10.478 -2.313 -2.912 1.00 . A A . 12 SER CB 1 1
6 1631 1 1 12 SER H H 8.224 -2.798 -1.565 1.00 . A A . 12 SER H 1 1
6 1632 1 1 12 SER HA H 11.041 -2.387 -0.860 1.00 . A A . 12 SER HA 1 1
6 1633 1 1 12 SER HB2 H 9.650 -1.953 -3.505 1.00 . A A . 12 SER HB2 1 1
6 1634 1 1 12 SER HB3 H 11.376 -1.794 -3.199 1.00 . A A . 12 SER HB3 1 1
6 1635 1 1 12 SER HG H 10.697 -4.174 -2.319 1.00 . A A . 12 SER HG 1 1
6 1636 1 1 12 SER N N 9.042 -2.828 -1.023 1.00 . A A . 12 SER N 1 1
6 1637 1 1 12 SER O O 10.980 0.199 -1.196 1.00 . A A . 12 SER O 1 1
6 1638 1 1 12 SER OG O 10.649 -3.699 -3.161 1.00 . A A . 12 SER OG 1 1
6 1639 1 1 13 LYS C C 7.133 1.536 -0.270 1.00 . A A . 13 LYS C 1 1
6 1640 1 1 13 LYS CA C 8.497 1.311 -0.894 1.00 . A A . 13 LYS CA 1 1
6 1641 1 1 13 LYS CB C 8.539 1.979 -2.271 1.00 . A A . 13 LYS CB 1 1
6 1642 1 1 13 LYS CD C 8.891 4.078 -3.615 1.00 . A A . 13 LYS CD 1 1
6 1643 1 1 13 LYS CE C 7.769 3.688 -4.568 1.00 . A A . 13 LYS CE 1 1
6 1644 1 1 13 LYS CG C 8.689 3.493 -2.228 1.00 . A A . 13 LYS CG 1 1
6 1645 1 1 13 LYS H H 8.028 -0.756 -0.972 1.00 . A A . 13 LYS H 1 1
6 1646 1 1 13 LYS HA H 9.254 1.746 -0.264 1.00 . A A . 13 LYS HA 1 1
6 1647 1 1 13 LYS HB2 H 9.364 1.572 -2.830 1.00 . A A . 13 LYS HB2 1 1
6 1648 1 1 13 LYS HB3 H 7.616 1.751 -2.783 1.00 . A A . 13 LYS HB3 1 1
6 1649 1 1 13 LYS HD2 H 8.923 5.155 -3.538 1.00 . A A . 13 LYS HD2 1 1
6 1650 1 1 13 LYS HD3 H 9.829 3.717 -4.007 1.00 . A A . 13 LYS HD3 1 1
6 1651 1 1 13 LYS HE2 H 7.742 2.613 -4.652 1.00 . A A . 13 LYS HE2 1 1
6 1652 1 1 13 LYS HE3 H 6.832 4.042 -4.164 1.00 . A A . 13 LYS HE3 1 1
6 1653 1 1 13 LYS HG2 H 7.800 3.922 -1.793 1.00 . A A . 13 LYS HG2 1 1
6 1654 1 1 13 LYS HG3 H 9.545 3.740 -1.622 1.00 . A A . 13 LYS HG3 1 1
6 1655 1 1 13 LYS HZ1 H 7.223 3.934 -6.566 1.00 . A A . 13 LYS HZ1 1 1
6 1656 1 1 13 LYS HZ2 H 8.893 3.992 -6.301 1.00 . A A . 13 LYS HZ2 1 1
6 1657 1 1 13 LYS HZ3 H 7.923 5.309 -5.873 1.00 . A A . 13 LYS HZ3 1 1
6 1658 1 1 13 LYS N N 8.769 -0.114 -1.026 1.00 . A A . 13 LYS N 1 1
6 1659 1 1 13 LYS NZ N 7.965 4.271 -5.921 1.00 . A A . 13 LYS NZ 1 1
6 1660 1 1 13 LYS O O 6.327 0.611 -0.167 1.00 . A A . 13 LYS O 1 1
6 1661 1 1 14 ASP C C 4.651 3.399 -0.543 1.00 . A A . 14 ASP C 1 1
6 1662 1 1 14 ASP CA C 5.575 3.146 0.641 1.00 . A A . 14 ASP CA 1 1
6 1663 1 1 14 ASP CB C 5.654 4.379 1.561 1.00 . A A . 14 ASP CB 1 1
6 1664 1 1 14 ASP CG C 6.063 5.653 0.844 1.00 . A A . 14 ASP CG 1 1
6 1665 1 1 14 ASP H H 7.596 3.440 0.105 1.00 . A A . 14 ASP H 1 1
6 1666 1 1 14 ASP HA H 5.184 2.312 1.206 1.00 . A A . 14 ASP HA 1 1
6 1667 1 1 14 ASP HB2 H 4.686 4.543 2.008 1.00 . A A . 14 ASP HB2 1 1
6 1668 1 1 14 ASP HB3 H 6.374 4.184 2.343 1.00 . A A . 14 ASP HB3 1 1
6 1669 1 1 14 ASP N N 6.883 2.766 0.147 1.00 . A A . 14 ASP N 1 1
6 1670 1 1 14 ASP O O 4.888 4.288 -1.362 1.00 . A A . 14 ASP O 1 1
6 1671 1 1 14 ASP OD1 O 7.162 5.685 0.252 1.00 . A A . 14 ASP OD1 1 1
6 1672 1 1 14 ASP OD2 O 5.287 6.635 0.877 1.00 . A A . 14 ASP OD2 1 1
6 1673 1 1 15 VAL C C 1.349 3.108 -1.283 1.00 . A A . 15 VAL C 1 1
6 1674 1 1 15 VAL CA C 2.710 2.650 -1.768 1.00 . A A . 15 VAL CA 1 1
6 1675 1 1 15 VAL CB C 2.579 1.291 -2.490 1.00 . A A . 15 VAL CB 1 1
6 1676 1 1 15 VAL CG1 C 1.713 1.428 -3.733 1.00 . A A . 15 VAL CG1 1 1
6 1677 1 1 15 VAL CG2 C 3.951 0.738 -2.851 1.00 . A A . 15 VAL CG2 1 1
6 1678 1 1 15 VAL H H 3.457 1.930 0.058 1.00 . A A . 15 VAL H 1 1
6 1679 1 1 15 VAL HA H 3.095 3.376 -2.470 1.00 . A A . 15 VAL HA 1 1
6 1680 1 1 15 VAL HB H 2.099 0.596 -1.819 1.00 . A A . 15 VAL HB 1 1
6 1681 1 1 15 VAL HG11 H 0.722 1.746 -3.448 1.00 . A A . 15 VAL HG11 1 1
6 1682 1 1 15 VAL HG12 H 1.655 0.475 -4.238 1.00 . A A . 15 VAL HG12 1 1
6 1683 1 1 15 VAL HG13 H 2.149 2.160 -4.397 1.00 . A A . 15 VAL HG13 1 1
6 1684 1 1 15 VAL HG21 H 4.532 0.606 -1.951 1.00 . A A . 15 VAL HG21 1 1
6 1685 1 1 15 VAL HG22 H 4.457 1.430 -3.509 1.00 . A A . 15 VAL HG22 1 1
6 1686 1 1 15 VAL HG23 H 3.836 -0.213 -3.348 1.00 . A A . 15 VAL HG23 1 1
6 1687 1 1 15 VAL N N 3.623 2.583 -0.651 1.00 . A A . 15 VAL N 1 1
6 1688 1 1 15 VAL O O 0.643 2.381 -0.584 1.00 . A A . 15 VAL O 1 1
6 1689 1 1 16 CYS C C -1.296 4.660 -2.302 1.00 . A A . 16 CYS C 1 1
6 1690 1 1 16 CYS CA C -0.242 4.912 -1.222 1.00 . A A . 16 CYS CA 1 1
6 1691 1 1 16 CYS CB C -0.049 6.409 -1.015 1.00 . A A . 16 CYS CB 1 1
6 1692 1 1 16 CYS H H 1.653 4.885 -2.098 1.00 . A A . 16 CYS H 1 1
6 1693 1 1 16 CYS HA H -0.558 4.459 -0.298 1.00 . A A . 16 CYS HA 1 1
6 1694 1 1 16 CYS HB2 H -0.209 6.918 -1.952 1.00 . A A . 16 CYS HB2 1 1
6 1695 1 1 16 CYS HB3 H -0.769 6.746 -0.307 1.00 . A A . 16 CYS HB3 1 1
6 1696 1 1 16 CYS N N 1.016 4.333 -1.613 1.00 . A A . 16 CYS N 1 1
6 1697 1 1 16 CYS O O -1.116 5.053 -3.459 1.00 . A A . 16 CYS O 1 1
6 1698 1 1 16 CYS SG S 1.604 6.900 -0.399 1.00 . A A . 16 CYS SG 1 1
6 1699 1 1 17 SER C C -4.726 3.263 -2.168 1.00 . A A . 17 SER C 1 1
6 1700 1 1 17 SER CA C -3.423 3.624 -2.880 1.00 . A A . 17 SER CA 1 1
6 1701 1 1 17 SER CB C -2.928 2.440 -3.718 1.00 . A A . 17 SER CB 1 1
6 1702 1 1 17 SER H H -2.518 3.787 -0.975 1.00 . A A . 17 SER H 1 1
6 1703 1 1 17 SER HA H -3.603 4.465 -3.532 1.00 . A A . 17 SER HA 1 1
6 1704 1 1 17 SER HB2 H -3.755 2.023 -4.272 1.00 . A A . 17 SER HB2 1 1
6 1705 1 1 17 SER HB3 H -2.171 2.785 -4.411 1.00 . A A . 17 SER HB3 1 1
6 1706 1 1 17 SER HG H -3.011 1.153 -2.231 1.00 . A A . 17 SER HG 1 1
6 1707 1 1 17 SER N N -2.394 4.011 -1.923 1.00 . A A . 17 SER N 1 1
6 1708 1 1 17 SER O O -4.742 3.049 -0.953 1.00 . A A . 17 SER O 1 1
6 1709 1 1 17 SER OG O -2.368 1.423 -2.901 1.00 . A A . 17 SER OG 1 1
6 1710 1 1 18 GLN C C -7.277 1.343 -2.365 1.00 . A A . 18 GLN C 1 1
6 1711 1 1 18 GLN CA C -7.120 2.859 -2.383 1.00 . A A . 18 GLN CA 1 1
6 1712 1 1 18 GLN CB C -8.252 3.499 -3.202 1.00 . A A . 18 GLN CB 1 1
6 1713 1 1 18 GLN CD C -7.212 5.775 -3.707 1.00 . A A . 18 GLN CD 1 1
6 1714 1 1 18 GLN CG C -8.364 5.010 -3.075 1.00 . A A . 18 GLN CG 1 1
6 1715 1 1 18 GLN H H -5.737 3.388 -3.892 1.00 . A A . 18 GLN H 1 1
6 1716 1 1 18 GLN HA H -7.164 3.224 -1.363 1.00 . A A . 18 GLN HA 1 1
6 1717 1 1 18 GLN HB2 H -8.110 3.259 -4.244 1.00 . A A . 18 GLN HB2 1 1
6 1718 1 1 18 GLN HB3 H -9.185 3.079 -2.874 1.00 . A A . 18 GLN HB3 1 1
6 1719 1 1 18 GLN HE21 H -6.246 5.835 -1.971 1.00 . A A . 18 GLN HE21 1 1
6 1720 1 1 18 GLN HE22 H -5.450 6.599 -3.304 1.00 . A A . 18 GLN HE22 1 1
6 1721 1 1 18 GLN HG2 H -9.281 5.327 -3.551 1.00 . A A . 18 GLN HG2 1 1
6 1722 1 1 18 GLN HG3 H -8.409 5.248 -2.028 1.00 . A A . 18 GLN HG3 1 1
6 1723 1 1 18 GLN N N -5.816 3.206 -2.930 1.00 . A A . 18 GLN N 1 1
6 1724 1 1 18 GLN NE2 N -6.202 6.101 -2.916 1.00 . A A . 18 GLN NE2 1 1
6 1725 1 1 18 GLN O O -7.951 0.758 -3.211 1.00 . A A . 18 GLN O 1 1
6 1726 1 1 18 GLN OE1 O -7.242 6.093 -4.895 1.00 . A A . 18 GLN OE1 1 1
6 1727 1 1 19 SER C C -7.799 -1.346 -0.627 1.00 . A A . 19 SER C 1 1
6 1728 1 1 19 SER CA C -6.558 -0.712 -1.278 1.00 . A A . 19 SER CA 1 1
6 1729 1 1 19 SER CB C -5.287 -1.015 -0.509 1.00 . A A . 19 SER CB 1 1
6 1730 1 1 19 SER H H -6.214 1.278 -0.691 1.00 . A A . 19 SER H 1 1
6 1731 1 1 19 SER HA H -6.451 -1.125 -2.273 1.00 . A A . 19 SER HA 1 1
6 1732 1 1 19 SER HB2 H -5.415 -0.715 0.516 1.00 . A A . 19 SER HB2 1 1
6 1733 1 1 19 SER HB3 H -5.070 -2.067 -0.555 1.00 . A A . 19 SER HB3 1 1
6 1734 1 1 19 SER HG H -3.371 -0.769 -0.903 1.00 . A A . 19 SER HG 1 1
6 1735 1 1 19 SER N N -6.653 0.731 -1.379 1.00 . A A . 19 SER N 1 1
6 1736 1 1 19 SER O O -8.241 -2.408 -1.057 1.00 . A A . 19 SER O 1 1
6 1737 1 1 19 SER OG O -4.199 -0.293 -1.070 1.00 . A A . 19 SER OG 1 1
6 1738 1 1 20 CYS C C -10.806 -0.383 0.707 1.00 . A A . 20 CYS C 1 1
6 1739 1 1 20 CYS CA C -9.594 -1.252 1.014 1.00 . A A . 20 CYS CA 1 1
6 1740 1 1 20 CYS CB C -9.460 -1.422 2.534 1.00 . A A . 20 CYS CB 1 1
6 1741 1 1 20 CYS H H -7.999 0.133 0.724 1.00 . A A . 20 CYS H 1 1
6 1742 1 1 20 CYS HA H -9.755 -2.217 0.580 1.00 . A A . 20 CYS HA 1 1
6 1743 1 1 20 CYS HB2 H -10.362 -1.882 2.909 1.00 . A A . 20 CYS HB2 1 1
6 1744 1 1 20 CYS HB3 H -8.627 -2.072 2.744 1.00 . A A . 20 CYS HB3 1 1
6 1745 1 1 20 CYS N N -8.377 -0.707 0.396 1.00 . A A . 20 CYS N 1 1
6 1746 1 1 20 CYS O O -11.834 -0.469 1.381 1.00 . A A . 20 CYS O 1 1
6 1747 1 1 20 CYS SG S -9.220 0.131 3.460 1.00 . A A . 20 CYS SG 1 1
6 1748 1 1 21 CYS C C -12.369 0.896 -2.001 1.00 . A A . 21 CYS C 1 1
6 1749 1 1 21 CYS CA C -11.768 1.345 -0.678 1.00 . A A . 21 CYS CA 1 1
6 1750 1 1 21 CYS CB C -11.257 2.786 -0.780 1.00 . A A . 21 CYS CB 1 1
6 1751 1 1 21 CYS H H -9.858 0.466 -0.825 1.00 . A A . 21 CYS H 1 1
6 1752 1 1 21 CYS HA H -12.524 1.289 0.092 1.00 . A A . 21 CYS HA 1 1
6 1753 1 1 21 CYS HB2 H -10.598 2.865 -1.629 1.00 . A A . 21 CYS HB2 1 1
6 1754 1 1 21 CYS HB3 H -12.098 3.449 -0.922 1.00 . A A . 21 CYS HB3 1 1
6 1755 1 1 21 CYS N N -10.687 0.453 -0.307 1.00 . A A . 21 CYS N 1 1
6 1756 1 1 21 CYS O O -11.999 1.457 -3.048 1.00 . A A . 21 CYS O 1 1
6 1757 1 1 21 CYS OXT O -13.184 -0.052 -1.992 1.00 . A A . 21 CYS OXT 1 1
6 1758 1 1 21 CYS SG S -10.337 3.361 0.690 1.00 . A A . 21 CYS SG 1 1
7 1759 1 1 1 THR C C -0.742 -4.739 -0.628 1.00 . A A . 1 THR C 1 1
7 1760 1 1 1 THR CA C 0.027 -6.058 -0.584 1.00 . A A . 1 THR CA 1 1
7 1761 1 1 1 THR CB C 0.629 -6.257 0.821 1.00 . A A . 1 THR CB 1 1
7 1762 1 1 1 THR CG2 C -0.458 -6.622 1.820 1.00 . A A . 1 THR CG2 1 1
7 1763 1 1 1 THR H1 H 1.600 -6.976 -1.584 1.00 . A A . 1 THR H1 1 1
7 1764 1 1 1 THR H2 H 1.740 -5.294 -1.486 1.00 . A A . 1 THR H2 1 1
7 1765 1 1 1 THR H3 H 0.642 -5.991 -2.568 1.00 . A A . 1 THR H3 1 1
7 1766 1 1 1 THR HA H -0.662 -6.867 -0.779 1.00 . A A . 1 THR HA 1 1
7 1767 1 1 1 THR HB H 1.095 -5.334 1.135 1.00 . A A . 1 THR HB 1 1
7 1768 1 1 1 THR HG1 H 1.282 -8.043 0.274 1.00 . A A . 1 THR HG1 1 1
7 1769 1 1 1 THR HG21 H -0.021 -6.739 2.800 1.00 . A A . 1 THR HG21 1 1
7 1770 1 1 1 THR HG22 H -0.924 -7.549 1.522 1.00 . A A . 1 THR HG22 1 1
7 1771 1 1 1 THR HG23 H -1.200 -5.839 1.847 1.00 . A A . 1 THR HG23 1 1
7 1772 1 1 1 THR N N 1.074 -6.080 -1.627 1.00 . A A . 1 THR N 1 1
7 1773 1 1 1 THR O O -0.180 -3.678 -0.387 1.00 . A A . 1 THR O 1 1
7 1774 1 1 1 THR OG1 O 1.614 -7.300 0.796 1.00 . A A . 1 THR OG1 1 1
7 1775 1 1 2 ARG C C -3.370 -3.048 0.208 1.00 . A A . 2 ARG C 1 1
7 1776 1 1 2 ARG CA C -2.928 -3.706 -1.120 1.00 . A A . 2 ARG CA 1 1
7 1777 1 1 2 ARG CB C -4.096 -4.264 -1.931 1.00 . A A . 2 ARG CB 1 1
7 1778 1 1 2 ARG CD C -6.096 -3.956 -3.301 1.00 . A A . 2 ARG CD 1 1
7 1779 1 1 2 ARG CG C -5.229 -3.328 -2.250 1.00 . A A . 2 ARG CG 1 1
7 1780 1 1 2 ARG CZ C -6.017 -4.397 -5.727 1.00 . A A . 2 ARG CZ 1 1
7 1781 1 1 2 ARG H H -2.420 -5.739 -1.022 1.00 . A A . 2 ARG H 1 1
7 1782 1 1 2 ARG HA H -2.420 -2.974 -1.716 1.00 . A A . 2 ARG HA 1 1
7 1783 1 1 2 ARG HB2 H -3.710 -4.631 -2.868 1.00 . A A . 2 ARG HB2 1 1
7 1784 1 1 2 ARG HB3 H -4.508 -5.095 -1.390 1.00 . A A . 2 ARG HB3 1 1
7 1785 1 1 2 ARG HD2 H -6.191 -5.002 -3.048 1.00 . A A . 2 ARG HD2 1 1
7 1786 1 1 2 ARG HD3 H -7.066 -3.484 -3.298 1.00 . A A . 2 ARG HD3 1 1
7 1787 1 1 2 ARG HE H -4.667 -3.333 -4.710 1.00 . A A . 2 ARG HE 1 1
7 1788 1 1 2 ARG HG2 H -5.807 -3.179 -1.359 1.00 . A A . 2 ARG HG2 1 1
7 1789 1 1 2 ARG HG3 H -4.857 -2.390 -2.603 1.00 . A A . 2 ARG HG3 1 1
7 1790 1 1 2 ARG HH11 H -7.596 -5.240 -4.775 1.00 . A A . 2 ARG HH11 1 1
7 1791 1 1 2 ARG HH12 H -7.523 -5.524 -6.485 1.00 . A A . 2 ARG HH12 1 1
7 1792 1 1 2 ARG HH21 H -4.570 -3.688 -6.951 1.00 . A A . 2 ARG HH21 1 1
7 1793 1 1 2 ARG HH22 H -5.800 -4.634 -7.729 1.00 . A A . 2 ARG HH22 1 1
7 1794 1 1 2 ARG N N -2.031 -4.837 -0.919 1.00 . A A . 2 ARG N 1 1
7 1795 1 1 2 ARG NE N -5.501 -3.850 -4.631 1.00 . A A . 2 ARG NE 1 1
7 1796 1 1 2 ARG NH1 N -7.135 -5.111 -5.657 1.00 . A A . 2 ARG NH1 1 1
7 1797 1 1 2 ARG NH2 N -5.413 -4.228 -6.896 1.00 . A A . 2 ARG NH2 1 1
7 1798 1 1 2 ARG O O -4.434 -2.463 0.279 1.00 . A A . 2 ARG O 1 1
7 1799 1 1 3 ILE C C -3.824 -1.585 2.751 1.00 . A A . 3 ILE C 1 1
7 1800 1 1 3 ILE CA C -2.864 -2.773 2.634 1.00 . A A . 3 ILE CA 1 1
7 1801 1 1 3 ILE CB C -1.601 -2.447 3.466 1.00 . A A . 3 ILE CB 1 1
7 1802 1 1 3 ILE CD1 C 0.758 -3.247 3.996 1.00 . A A . 3 ILE CD1 1 1
7 1803 1 1 3 ILE CG1 C -0.575 -3.563 3.349 1.00 . A A . 3 ILE CG1 1 1
7 1804 1 1 3 ILE CG2 C -1.961 -2.237 4.923 1.00 . A A . 3 ILE CG2 1 1
7 1805 1 1 3 ILE H H -1.627 -3.473 1.056 1.00 . A A . 3 ILE H 1 1
7 1806 1 1 3 ILE HA H -3.334 -3.621 3.077 1.00 . A A . 3 ILE HA 1 1
7 1807 1 1 3 ILE HB H -1.174 -1.532 3.089 1.00 . A A . 3 ILE HB 1 1
7 1808 1 1 3 ILE HD11 H 0.601 -2.969 5.028 1.00 . A A . 3 ILE HD11 1 1
7 1809 1 1 3 ILE HD12 H 1.231 -2.431 3.468 1.00 . A A . 3 ILE HD12 1 1
7 1810 1 1 3 ILE HD13 H 1.393 -4.119 3.952 1.00 . A A . 3 ILE HD13 1 1
7 1811 1 1 3 ILE HG12 H -0.967 -4.456 3.812 1.00 . A A . 3 ILE HG12 1 1
7 1812 1 1 3 ILE HG13 H -0.401 -3.748 2.314 1.00 . A A . 3 ILE HG13 1 1
7 1813 1 1 3 ILE HG21 H -1.068 -2.000 5.480 1.00 . A A . 3 ILE HG21 1 1
7 1814 1 1 3 ILE HG22 H -2.400 -3.142 5.315 1.00 . A A . 3 ILE HG22 1 1
7 1815 1 1 3 ILE HG23 H -2.667 -1.426 5.009 1.00 . A A . 3 ILE HG23 1 1
7 1816 1 1 3 ILE N N -2.522 -3.145 1.239 1.00 . A A . 3 ILE N 1 1
7 1817 1 1 3 ILE O O -3.416 -0.422 2.753 1.00 . A A . 3 ILE O 1 1
7 1818 1 1 4 CYS C C -6.057 0.263 2.219 1.00 . A A . 4 CYS C 1 1
7 1819 1 1 4 CYS CA C -6.195 -0.975 3.117 1.00 . A A . 4 CYS CA 1 1
7 1820 1 1 4 CYS CB C -6.284 -0.533 4.580 1.00 . A A . 4 CYS CB 1 1
7 1821 1 1 4 CYS H H -5.291 -2.889 2.925 1.00 . A A . 4 CYS H 1 1
7 1822 1 1 4 CYS HA H -7.111 -1.484 2.859 1.00 . A A . 4 CYS HA 1 1
7 1823 1 1 4 CYS HB2 H -5.667 -1.178 5.184 1.00 . A A . 4 CYS HB2 1 1
7 1824 1 1 4 CYS HB3 H -5.921 0.484 4.657 1.00 . A A . 4 CYS HB3 1 1
7 1825 1 1 4 CYS N N -5.090 -1.931 2.931 1.00 . A A . 4 CYS N 1 1
7 1826 1 1 4 CYS O O -5.512 0.207 1.117 1.00 . A A . 4 CYS O 1 1
7 1827 1 1 4 CYS SG S -7.976 -0.565 5.276 1.00 . A A . 4 CYS SG 1 1
7 1828 1 1 5 CYS C C -5.324 3.446 2.780 1.00 . A A . 5 CYS C 1 1
7 1829 1 1 5 CYS CA C -6.386 2.652 2.035 1.00 . A A . 5 CYS CA 1 1
7 1830 1 1 5 CYS CB C -7.683 3.436 1.996 1.00 . A A . 5 CYS CB 1 1
7 1831 1 1 5 CYS H H -7.230 1.312 3.440 1.00 . A A . 5 CYS H 1 1
7 1832 1 1 5 CYS HA H -6.052 2.473 1.030 1.00 . A A . 5 CYS HA 1 1
7 1833 1 1 5 CYS HB2 H -8.004 3.610 3.006 1.00 . A A . 5 CYS HB2 1 1
7 1834 1 1 5 CYS HB3 H -7.520 4.380 1.499 1.00 . A A . 5 CYS HB3 1 1
7 1835 1 1 5 CYS N N -6.606 1.368 2.679 1.00 . A A . 5 CYS N 1 1
7 1836 1 1 5 CYS O O -5.059 3.197 3.960 1.00 . A A . 5 CYS O 1 1
7 1837 1 1 5 CYS SG S -9.019 2.568 1.128 1.00 . A A . 5 CYS SG 1 1
7 1838 1 1 6 GLY C C -2.305 4.836 2.100 1.00 . A A . 6 GLY C 1 1
7 1839 1 1 6 GLY CA C -3.656 5.177 2.678 1.00 . A A . 6 GLY CA 1 1
7 1840 1 1 6 GLY H H -4.921 4.495 1.133 1.00 . A A . 6 GLY H 1 1
7 1841 1 1 6 GLY HA2 H -3.867 6.221 2.496 1.00 . A A . 6 GLY HA2 1 1
7 1842 1 1 6 GLY HA3 H -3.638 5.000 3.742 1.00 . A A . 6 GLY HA3 1 1
7 1843 1 1 6 GLY N N -4.695 4.373 2.080 1.00 . A A . 6 GLY N 1 1
7 1844 1 1 6 GLY O O -2.219 4.320 0.985 1.00 . A A . 6 GLY O 1 1
7 1845 1 1 7 CYS C C 0.744 3.790 3.322 1.00 . A A . 7 CYS C 1 1
7 1846 1 1 7 CYS CA C 0.087 4.796 2.392 1.00 . A A . 7 CYS CA 1 1
7 1847 1 1 7 CYS CB C 0.919 6.074 2.301 1.00 . A A . 7 CYS CB 1 1
7 1848 1 1 7 CYS H H -1.379 5.501 3.736 1.00 . A A . 7 CYS H 1 1
7 1849 1 1 7 CYS HA H 0.009 4.358 1.411 1.00 . A A . 7 CYS HA 1 1
7 1850 1 1 7 CYS HB2 H 1.012 6.507 3.286 1.00 . A A . 7 CYS HB2 1 1
7 1851 1 1 7 CYS HB3 H 1.902 5.830 1.927 1.00 . A A . 7 CYS HB3 1 1
7 1852 1 1 7 CYS N N -1.253 5.100 2.850 1.00 . A A . 7 CYS N 1 1
7 1853 1 1 7 CYS O O 0.843 4.009 4.531 1.00 . A A . 7 CYS O 1 1
7 1854 1 1 7 CYS SG S 0.203 7.344 1.202 1.00 . A A . 7 CYS SG 1 1
7 1855 1 1 8 TYR C C 3.153 1.276 2.947 1.00 . A A . 8 TYR C 1 1
7 1856 1 1 8 TYR CA C 1.782 1.606 3.502 1.00 . A A . 8 TYR CA 1 1
7 1857 1 1 8 TYR CB C 0.891 0.368 3.442 1.00 . A A . 8 TYR CB 1 1
7 1858 1 1 8 TYR CD1 C 1.391 -0.532 1.123 1.00 . A A . 8 TYR CD1 1 1
7 1859 1 1 8 TYR CD2 C -0.849 0.073 1.640 1.00 . A A . 8 TYR CD2 1 1
7 1860 1 1 8 TYR CE1 C 1.001 -0.902 -0.147 1.00 . A A . 8 TYR CE1 1 1
7 1861 1 1 8 TYR CE2 C -1.249 -0.299 0.374 1.00 . A A . 8 TYR CE2 1 1
7 1862 1 1 8 TYR CG C 0.472 -0.035 2.040 1.00 . A A . 8 TYR CG 1 1
7 1863 1 1 8 TYR CZ C -0.320 -0.784 -0.518 1.00 . A A . 8 TYR CZ 1 1
7 1864 1 1 8 TYR H H 1.091 2.582 1.776 1.00 . A A . 8 TYR H 1 1
7 1865 1 1 8 TYR HA H 1.882 1.923 4.529 1.00 . A A . 8 TYR HA 1 1
7 1866 1 1 8 TYR HB2 H 1.423 -0.459 3.872 1.00 . A A . 8 TYR HB2 1 1
7 1867 1 1 8 TYR HB3 H -0.005 0.552 4.015 1.00 . A A . 8 TYR HB3 1 1
7 1868 1 1 8 TYR HD1 H 2.427 -0.625 1.416 1.00 . A A . 8 TYR HD1 1 1
7 1869 1 1 8 TYR HD2 H -1.580 0.451 2.338 1.00 . A A . 8 TYR HD2 1 1
7 1870 1 1 8 TYR HE1 H 1.731 -1.286 -0.845 1.00 . A A . 8 TYR HE1 1 1
7 1871 1 1 8 TYR HE2 H -2.288 -0.219 0.094 1.00 . A A . 8 TYR HE2 1 1
7 1872 1 1 8 TYR HH H -0.282 -1.997 -2.008 1.00 . A A . 8 TYR HH 1 1
7 1873 1 1 8 TYR N N 1.182 2.685 2.748 1.00 . A A . 8 TYR N 1 1
7 1874 1 1 8 TYR O O 3.467 1.624 1.813 1.00 . A A . 8 TYR O 1 1
7 1875 1 1 8 TYR OH O -0.709 -1.158 -1.783 1.00 . A A . 8 TYR OH 1 1
7 1876 1 1 9 TRP C C 5.152 -1.284 2.830 1.00 . A A . 9 TRP C 1 1
7 1877 1 1 9 TRP CA C 5.256 0.165 3.262 1.00 . A A . 9 TRP CA 1 1
7 1878 1 1 9 TRP CB C 6.351 0.312 4.320 1.00 . A A . 9 TRP CB 1 1
7 1879 1 1 9 TRP CD1 C 8.230 -1.357 3.849 1.00 . A A . 9 TRP CD1 1 1
7 1880 1 1 9 TRP CD2 C 8.638 0.714 3.114 1.00 . A A . 9 TRP CD2 1 1
7 1881 1 1 9 TRP CE2 C 9.730 -0.104 2.774 1.00 . A A . 9 TRP CE2 1 1
7 1882 1 1 9 TRP CE3 C 8.673 2.063 2.754 1.00 . A A . 9 TRP CE3 1 1
7 1883 1 1 9 TRP CG C 7.689 -0.107 3.798 1.00 . A A . 9 TRP CG 1 1
7 1884 1 1 9 TRP CH2 C 10.842 1.709 1.750 1.00 . A A . 9 TRP CH2 1 1
7 1885 1 1 9 TRP CZ2 C 10.839 0.386 2.091 1.00 . A A . 9 TRP CZ2 1 1
7 1886 1 1 9 TRP CZ3 C 9.774 2.544 2.076 1.00 . A A . 9 TRP CZ3 1 1
7 1887 1 1 9 TRP H H 3.675 0.377 4.646 1.00 . A A . 9 TRP H 1 1
7 1888 1 1 9 TRP HA H 5.513 0.765 2.402 1.00 . A A . 9 TRP HA 1 1
7 1889 1 1 9 TRP HB2 H 6.417 1.344 4.629 1.00 . A A . 9 TRP HB2 1 1
7 1890 1 1 9 TRP HB3 H 6.112 -0.305 5.174 1.00 . A A . 9 TRP HB3 1 1
7 1891 1 1 9 TRP HD1 H 7.747 -2.208 4.305 1.00 . A A . 9 TRP HD1 1 1
7 1892 1 1 9 TRP HE1 H 10.036 -2.156 3.125 1.00 . A A . 9 TRP HE1 1 1
7 1893 1 1 9 TRP HE3 H 7.861 2.726 2.996 1.00 . A A . 9 TRP HE3 1 1
7 1894 1 1 9 TRP HH2 H 11.680 2.131 1.222 1.00 . A A . 9 TRP HH2 1 1
7 1895 1 1 9 TRP HZ2 H 11.670 -0.245 1.823 1.00 . A A . 9 TRP HZ2 1 1
7 1896 1 1 9 TRP HZ3 H 9.816 3.581 1.785 1.00 . A A . 9 TRP HZ3 1 1
7 1897 1 1 9 TRP N N 3.966 0.610 3.740 1.00 . A A . 9 TRP N 1 1
7 1898 1 1 9 TRP NE1 N 9.453 -1.367 3.228 1.00 . A A . 9 TRP NE1 1 1
7 1899 1 1 9 TRP O O 4.939 -2.171 3.656 1.00 . A A . 9 TRP O 1 1
7 1900 1 1 10 ASN C C 6.542 -3.297 0.443 1.00 . A A . 10 ASN C 1 1
7 1901 1 1 10 ASN CA C 5.201 -2.868 1.025 1.00 . A A . 10 ASN CA 1 1
7 1902 1 1 10 ASN CB C 4.095 -2.967 -0.029 1.00 . A A . 10 ASN CB 1 1
7 1903 1 1 10 ASN CG C 3.807 -4.395 -0.455 1.00 . A A . 10 ASN CG 1 1
7 1904 1 1 10 ASN H H 5.446 -0.772 0.926 1.00 . A A . 10 ASN H 1 1
7 1905 1 1 10 ASN HA H 4.959 -3.521 1.849 1.00 . A A . 10 ASN HA 1 1
7 1906 1 1 10 ASN HB2 H 3.188 -2.547 0.375 1.00 . A A . 10 ASN HB2 1 1
7 1907 1 1 10 ASN HB3 H 4.387 -2.401 -0.904 1.00 . A A . 10 ASN HB3 1 1
7 1908 1 1 10 ASN HD21 H 4.208 -5.076 1.371 1.00 . A A . 10 ASN HD21 1 1
7 1909 1 1 10 ASN HD22 H 3.759 -6.272 0.201 1.00 . A A . 10 ASN HD22 1 1
7 1910 1 1 10 ASN N N 5.282 -1.520 1.542 1.00 . A A . 10 ASN N 1 1
7 1911 1 1 10 ASN ND2 N 3.938 -5.340 0.465 1.00 . A A . 10 ASN ND2 1 1
7 1912 1 1 10 ASN O O 6.828 -3.080 -0.736 1.00 . A A . 10 ASN O 1 1
7 1913 1 1 10 ASN OD1 O 3.435 -4.644 -1.598 1.00 . A A . 10 ASN OD1 1 1
7 1914 1 1 11 GLY C C 9.734 -3.464 0.675 1.00 . A A . 11 GLY C 1 1
7 1915 1 1 11 GLY CA C 8.619 -4.466 0.862 1.00 . A A . 11 GLY CA 1 1
7 1916 1 1 11 GLY H H 7.127 -3.912 2.248 1.00 . A A . 11 GLY H 1 1
7 1917 1 1 11 GLY HA2 H 8.932 -5.184 1.601 1.00 . A A . 11 GLY HA2 1 1
7 1918 1 1 11 GLY HA3 H 8.455 -4.978 -0.071 1.00 . A A . 11 GLY HA3 1 1
7 1919 1 1 11 GLY N N 7.369 -3.881 1.296 1.00 . A A . 11 GLY N 1 1
7 1920 1 1 11 GLY O O 10.550 -3.259 1.574 1.00 . A A . 11 GLY O 1 1
7 1921 1 1 12 SER C C 10.434 -0.525 -1.050 1.00 . A A . 12 SER C 1 1
7 1922 1 1 12 SER CA C 10.885 -1.967 -0.835 1.00 . A A . 12 SER CA 1 1
7 1923 1 1 12 SER CB C 11.578 -2.500 -2.086 1.00 . A A . 12 SER CB 1 1
7 1924 1 1 12 SER H H 9.059 -2.983 -1.139 1.00 . A A . 12 SER H 1 1
7 1925 1 1 12 SER HA H 11.587 -1.988 -0.017 1.00 . A A . 12 SER HA 1 1
7 1926 1 1 12 SER HB2 H 12.134 -1.702 -2.556 1.00 . A A . 12 SER HB2 1 1
7 1927 1 1 12 SER HB3 H 12.252 -3.296 -1.810 1.00 . A A . 12 SER HB3 1 1
7 1928 1 1 12 SER HG H 10.624 -3.969 -2.970 1.00 . A A . 12 SER HG 1 1
7 1929 1 1 12 SER N N 9.780 -2.843 -0.490 1.00 . A A . 12 SER N 1 1
7 1930 1 1 12 SER O O 11.264 0.361 -1.270 1.00 . A A . 12 SER O 1 1
7 1931 1 1 12 SER OG O 10.628 -3.004 -3.015 1.00 . A A . 12 SER OG 1 1
7 1932 1 1 13 LYS C C 7.381 1.370 -0.385 1.00 . A A . 13 LYS C 1 1
7 1933 1 1 13 LYS CA C 8.610 1.059 -1.224 1.00 . A A . 13 LYS CA 1 1
7 1934 1 1 13 LYS CB C 8.249 1.228 -2.693 1.00 . A A . 13 LYS CB 1 1
7 1935 1 1 13 LYS CD C 9.013 1.440 -5.054 1.00 . A A . 13 LYS CD 1 1
7 1936 1 1 13 LYS CE C 8.084 2.614 -5.332 1.00 . A A . 13 LYS CE 1 1
7 1937 1 1 13 LYS CG C 9.446 1.395 -3.611 1.00 . A A . 13 LYS CG 1 1
7 1938 1 1 13 LYS H H 8.515 -0.999 -0.723 1.00 . A A . 13 LYS H 1 1
7 1939 1 1 13 LYS HA H 9.386 1.762 -0.979 1.00 . A A . 13 LYS HA 1 1
7 1940 1 1 13 LYS HB2 H 7.696 0.360 -3.015 1.00 . A A . 13 LYS HB2 1 1
7 1941 1 1 13 LYS HB3 H 7.621 2.101 -2.795 1.00 . A A . 13 LYS HB3 1 1
7 1942 1 1 13 LYS HD2 H 9.885 1.524 -5.684 1.00 . A A . 13 LYS HD2 1 1
7 1943 1 1 13 LYS HD3 H 8.497 0.524 -5.267 1.00 . A A . 13 LYS HD3 1 1
7 1944 1 1 13 LYS HE2 H 7.223 2.535 -4.686 1.00 . A A . 13 LYS HE2 1 1
7 1945 1 1 13 LYS HE3 H 8.610 3.532 -5.120 1.00 . A A . 13 LYS HE3 1 1
7 1946 1 1 13 LYS HG2 H 9.956 2.313 -3.366 1.00 . A A . 13 LYS HG2 1 1
7 1947 1 1 13 LYS HG3 H 10.111 0.559 -3.475 1.00 . A A . 13 LYS HG3 1 1
7 1948 1 1 13 LYS HZ1 H 6.968 3.431 -6.895 1.00 . A A . 13 LYS HZ1 1 1
7 1949 1 1 13 LYS HZ2 H 7.122 1.750 -6.971 1.00 . A A . 13 LYS HZ2 1 1
7 1950 1 1 13 LYS HZ3 H 8.428 2.734 -7.388 1.00 . A A . 13 LYS HZ3 1 1
7 1951 1 1 13 LYS N N 9.132 -0.277 -0.970 1.00 . A A . 13 LYS N 1 1
7 1952 1 1 13 LYS NZ N 7.619 2.634 -6.743 1.00 . A A . 13 LYS NZ 1 1
7 1953 1 1 13 LYS O O 6.688 0.468 0.094 1.00 . A A . 13 LYS O 1 1
7 1954 1 1 14 ASP C C 4.871 3.365 -0.684 1.00 . A A . 14 ASP C 1 1
7 1955 1 1 14 ASP CA C 5.908 3.146 0.405 1.00 . A A . 14 ASP CA 1 1
7 1956 1 1 14 ASP CB C 6.172 4.451 1.168 1.00 . A A . 14 ASP CB 1 1
7 1957 1 1 14 ASP CG C 4.959 4.954 1.935 1.00 . A A . 14 ASP CG 1 1
7 1958 1 1 14 ASP H H 7.786 3.315 -0.539 1.00 . A A . 14 ASP H 1 1
7 1959 1 1 14 ASP HA H 5.554 2.390 1.089 1.00 . A A . 14 ASP HA 1 1
7 1960 1 1 14 ASP HB2 H 6.972 4.289 1.874 1.00 . A A . 14 ASP HB2 1 1
7 1961 1 1 14 ASP HB3 H 6.471 5.213 0.465 1.00 . A A . 14 ASP HB3 1 1
7 1962 1 1 14 ASP N N 7.130 2.661 -0.219 1.00 . A A . 14 ASP N 1 1
7 1963 1 1 14 ASP O O 5.069 4.178 -1.590 1.00 . A A . 14 ASP O 1 1
7 1964 1 1 14 ASP OD1 O 4.099 5.624 1.320 1.00 . A A . 14 ASP OD1 1 1
7 1965 1 1 14 ASP OD2 O 4.839 4.649 3.142 1.00 . A A . 14 ASP OD2 1 1
7 1966 1 1 15 VAL C C 1.453 3.048 -1.130 1.00 . A A . 15 VAL C 1 1
7 1967 1 1 15 VAL CA C 2.798 2.594 -1.661 1.00 . A A . 15 VAL CA 1 1
7 1968 1 1 15 VAL CB C 2.668 1.175 -2.257 1.00 . A A . 15 VAL CB 1 1
7 1969 1 1 15 VAL CG1 C 1.657 1.149 -3.394 1.00 . A A . 15 VAL CG1 1 1
7 1970 1 1 15 VAL CG2 C 4.020 0.660 -2.734 1.00 . A A . 15 VAL CG2 1 1
7 1971 1 1 15 VAL H H 3.610 2.117 0.211 1.00 . A A . 15 VAL H 1 1
7 1972 1 1 15 VAL HA H 3.117 3.267 -2.441 1.00 . A A . 15 VAL HA 1 1
7 1973 1 1 15 VAL HB H 2.311 0.516 -1.481 1.00 . A A . 15 VAL HB 1 1
7 1974 1 1 15 VAL HG11 H 0.694 1.472 -3.028 1.00 . A A . 15 VAL HG11 1 1
7 1975 1 1 15 VAL HG12 H 1.578 0.142 -3.779 1.00 . A A . 15 VAL HG12 1 1
7 1976 1 1 15 VAL HG13 H 1.983 1.812 -4.183 1.00 . A A . 15 VAL HG13 1 1
7 1977 1 1 15 VAL HG21 H 3.905 -0.334 -3.137 1.00 . A A . 15 VAL HG21 1 1
7 1978 1 1 15 VAL HG22 H 4.709 0.633 -1.901 1.00 . A A . 15 VAL HG22 1 1
7 1979 1 1 15 VAL HG23 H 4.406 1.317 -3.498 1.00 . A A . 15 VAL HG23 1 1
7 1980 1 1 15 VAL N N 3.780 2.629 -0.605 1.00 . A A . 15 VAL N 1 1
7 1981 1 1 15 VAL O O 0.911 2.477 -0.182 1.00 . A A . 15 VAL O 1 1
7 1982 1 1 16 CYS C C -1.409 4.007 -2.298 1.00 . A A . 16 CYS C 1 1
7 1983 1 1 16 CYS CA C -0.352 4.622 -1.387 1.00 . A A . 16 CYS CA 1 1
7 1984 1 1 16 CYS CB C -0.323 6.133 -1.543 1.00 . A A . 16 CYS CB 1 1
7 1985 1 1 16 CYS H H 1.480 4.585 -2.369 1.00 . A A . 16 CYS H 1 1
7 1986 1 1 16 CYS HA H -0.572 4.370 -0.363 1.00 . A A . 16 CYS HA 1 1
7 1987 1 1 16 CYS HB2 H -0.196 6.377 -2.587 1.00 . A A . 16 CYS HB2 1 1
7 1988 1 1 16 CYS HB3 H -1.247 6.530 -1.201 1.00 . A A . 16 CYS HB3 1 1
7 1989 1 1 16 CYS N N 0.947 4.107 -1.716 1.00 . A A . 16 CYS N 1 1
7 1990 1 1 16 CYS O O -1.323 4.109 -3.523 1.00 . A A . 16 CYS O 1 1
7 1991 1 1 16 CYS SG S 1.019 6.947 -0.614 1.00 . A A . 16 CYS SG 1 1
7 1992 1 1 17 SER C C -4.762 2.765 -1.714 1.00 . A A . 17 SER C 1 1
7 1993 1 1 17 SER CA C -3.433 2.682 -2.455 1.00 . A A . 17 SER CA 1 1
7 1994 1 1 17 SER CB C -3.039 1.218 -2.685 1.00 . A A . 17 SER CB 1 1
7 1995 1 1 17 SER H H -2.445 3.362 -0.715 1.00 . A A . 17 SER H 1 1
7 1996 1 1 17 SER HA H -3.530 3.178 -3.407 1.00 . A A . 17 SER HA 1 1
7 1997 1 1 17 SER HB2 H -2.047 1.177 -3.109 1.00 . A A . 17 SER HB2 1 1
7 1998 1 1 17 SER HB3 H -3.048 0.694 -1.741 1.00 . A A . 17 SER HB3 1 1
7 1999 1 1 17 SER HG H -4.042 1.112 -4.368 1.00 . A A . 17 SER HG 1 1
7 2000 1 1 17 SER N N -2.399 3.364 -1.698 1.00 . A A . 17 SER N 1 1
7 2001 1 1 17 SER O O -4.801 3.103 -0.531 1.00 . A A . 17 SER O 1 1
7 2002 1 1 17 SER OG O -3.938 0.571 -3.573 1.00 . A A . 17 SER OG 1 1
7 2003 1 1 18 GLN C C -7.838 1.145 -1.874 1.00 . A A . 18 GLN C 1 1
7 2004 1 1 18 GLN CA C -7.171 2.516 -1.815 1.00 . A A . 18 GLN CA 1 1
7 2005 1 1 18 GLN CB C -8.035 3.556 -2.526 1.00 . A A . 18 GLN CB 1 1
7 2006 1 1 18 GLN CD C -8.308 5.972 -3.197 1.00 . A A . 18 GLN CD 1 1
7 2007 1 1 18 GLN CG C -7.440 4.947 -2.498 1.00 . A A . 18 GLN CG 1 1
7 2008 1 1 18 GLN H H -5.761 2.229 -3.358 1.00 . A A . 18 GLN H 1 1
7 2009 1 1 18 GLN HA H -7.058 2.802 -0.781 1.00 . A A . 18 GLN HA 1 1
7 2010 1 1 18 GLN HB2 H -8.169 3.262 -3.556 1.00 . A A . 18 GLN HB2 1 1
7 2011 1 1 18 GLN HB3 H -8.996 3.597 -2.042 1.00 . A A . 18 GLN HB3 1 1
7 2012 1 1 18 GLN HE21 H -7.392 5.611 -4.921 1.00 . A A . 18 GLN HE21 1 1
7 2013 1 1 18 GLN HE22 H -8.633 6.813 -4.966 1.00 . A A . 18 GLN HE22 1 1
7 2014 1 1 18 GLN HG2 H -7.327 5.238 -1.470 1.00 . A A . 18 GLN HG2 1 1
7 2015 1 1 18 GLN HG3 H -6.472 4.923 -2.977 1.00 . A A . 18 GLN HG3 1 1
7 2016 1 1 18 GLN N N -5.849 2.474 -2.413 1.00 . A A . 18 GLN N 1 1
7 2017 1 1 18 GLN NE2 N -8.090 6.148 -4.490 1.00 . A A . 18 GLN NE2 1 1
7 2018 1 1 18 GLN O O -8.674 0.884 -2.739 1.00 . A A . 18 GLN O 1 1
7 2019 1 1 18 GLN OE1 O -9.170 6.598 -2.581 1.00 . A A . 18 GLN OE1 1 1
7 2020 1 1 19 SER C C -9.426 -1.011 -0.248 1.00 . A A . 19 SER C 1 1
7 2021 1 1 19 SER CA C -8.037 -1.062 -0.877 1.00 . A A . 19 SER CA 1 1
7 2022 1 1 19 SER CB C -7.183 -1.967 -0.019 1.00 . A A . 19 SER CB 1 1
7 2023 1 1 19 SER H H -6.749 0.520 -0.315 1.00 . A A . 19 SER H 1 1
7 2024 1 1 19 SER HA H -8.082 -1.476 -1.874 1.00 . A A . 19 SER HA 1 1
7 2025 1 1 19 SER HB2 H -6.144 -1.828 -0.272 1.00 . A A . 19 SER HB2 1 1
7 2026 1 1 19 SER HB3 H -7.333 -1.706 1.011 1.00 . A A . 19 SER HB3 1 1
7 2027 1 1 19 SER HG H -7.004 -3.871 0.410 1.00 . A A . 19 SER HG 1 1
7 2028 1 1 19 SER N N -7.455 0.269 -0.954 1.00 . A A . 19 SER N 1 1
7 2029 1 1 19 SER O O -10.419 -1.423 -0.846 1.00 . A A . 19 SER O 1 1
7 2030 1 1 19 SER OG O -7.530 -3.329 -0.194 1.00 . A A . 19 SER OG 1 1
7 2031 1 1 20 CYS C C -11.603 0.607 1.677 1.00 . A A . 20 CYS C 1 1
7 2032 1 1 20 CYS CA C -10.663 -0.593 1.811 1.00 . A A . 20 CYS CA 1 1
7 2033 1 1 20 CYS CB C -10.257 -0.801 3.275 1.00 . A A . 20 CYS CB 1 1
7 2034 1 1 20 CYS H H -8.709 0.024 1.308 1.00 . A A . 20 CYS H 1 1
7 2035 1 1 20 CYS HA H -11.183 -1.464 1.486 1.00 . A A . 20 CYS HA 1 1
7 2036 1 1 20 CYS HB2 H -11.145 -0.786 3.888 1.00 . A A . 20 CYS HB2 1 1
7 2037 1 1 20 CYS HB3 H -9.778 -1.765 3.372 1.00 . A A . 20 CYS HB3 1 1
7 2038 1 1 20 CYS N N -9.481 -0.475 0.972 1.00 . A A . 20 CYS N 1 1
7 2039 1 1 20 CYS O O -12.333 0.941 2.612 1.00 . A A . 20 CYS O 1 1
7 2040 1 1 20 CYS SG S -9.113 0.457 3.934 1.00 . A A . 20 CYS SG 1 1
7 2041 1 1 21 CYS C C -12.749 2.549 -1.215 1.00 . A A . 21 CYS C 1 1
7 2042 1 1 21 CYS CA C -12.462 2.393 0.274 1.00 . A A . 21 CYS CA 1 1
7 2043 1 1 21 CYS CB C -11.843 3.675 0.861 1.00 . A A . 21 CYS CB 1 1
7 2044 1 1 21 CYS H H -11.010 0.931 -0.203 1.00 . A A . 21 CYS H 1 1
7 2045 1 1 21 CYS HA H -13.398 2.203 0.779 1.00 . A A . 21 CYS HA 1 1
7 2046 1 1 21 CYS HB2 H -12.459 4.517 0.587 1.00 . A A . 21 CYS HB2 1 1
7 2047 1 1 21 CYS HB3 H -11.824 3.590 1.939 1.00 . A A . 21 CYS HB3 1 1
7 2048 1 1 21 CYS N N -11.603 1.241 0.513 1.00 . A A . 21 CYS N 1 1
7 2049 1 1 21 CYS O O -13.837 2.122 -1.657 1.00 . A A . 21 CYS O 1 1
7 2050 1 1 21 CYS OXT O -11.885 3.063 -1.949 1.00 . A A . 21 CYS OXT 1 1
7 2051 1 1 21 CYS SG S -10.141 4.043 0.307 1.00 . A A . 21 CYS SG 1 1
8 2052 1 1 1 THR C C -1.269 -4.884 -1.245 1.00 . A A . 1 THR C 1 1
8 2053 1 1 1 THR CA C -0.563 -6.196 -0.919 1.00 . A A . 1 THR CA 1 1
8 2054 1 1 1 THR CB C 0.548 -5.939 0.119 1.00 . A A . 1 THR CB 1 1
8 2055 1 1 1 THR CG2 C 1.113 -7.248 0.649 1.00 . A A . 1 THR CG2 1 1
8 2056 1 1 1 THR H1 H -0.780 -6.968 -2.835 1.00 . A A . 1 THR H1 1 1
8 2057 1 1 1 THR H2 H 0.415 -7.733 -1.919 1.00 . A A . 1 THR H2 1 1
8 2058 1 1 1 THR H3 H 0.701 -6.199 -2.567 1.00 . A A . 1 THR H3 1 1
8 2059 1 1 1 THR HA H -1.279 -6.875 -0.487 1.00 . A A . 1 THR HA 1 1
8 2060 1 1 1 THR HB H 0.124 -5.390 0.947 1.00 . A A . 1 THR HB 1 1
8 2061 1 1 1 THR HG1 H 1.233 -4.603 -1.162 1.00 . A A . 1 THR HG1 1 1
8 2062 1 1 1 THR HG21 H 1.518 -7.824 -0.171 1.00 . A A . 1 THR HG21 1 1
8 2063 1 1 1 THR HG22 H 0.328 -7.812 1.131 1.00 . A A . 1 THR HG22 1 1
8 2064 1 1 1 THR HG23 H 1.898 -7.041 1.361 1.00 . A A . 1 THR HG23 1 1
8 2065 1 1 1 THR N N -0.019 -6.816 -2.144 1.00 . A A . 1 THR N 1 1
8 2066 1 1 1 THR O O -0.635 -3.917 -1.660 1.00 . A A . 1 THR O 1 1
8 2067 1 1 1 THR OG1 O 1.599 -5.162 -0.466 1.00 . A A . 1 THR OG1 1 1
8 2068 1 1 2 ARG C C -3.751 -3.001 -0.003 1.00 . A A . 2 ARG C 1 1
8 2069 1 1 2 ARG CA C -3.428 -3.723 -1.329 1.00 . A A . 2 ARG CA 1 1
8 2070 1 1 2 ARG CB C -4.661 -4.260 -2.058 1.00 . A A . 2 ARG CB 1 1
8 2071 1 1 2 ARG CD C -6.924 -4.059 -2.947 1.00 . A A . 2 ARG CD 1 1
8 2072 1 1 2 ARG CG C -5.843 -3.342 -2.190 1.00 . A A . 2 ARG CG 1 1
8 2073 1 1 2 ARG CZ C -8.899 -2.773 -3.677 1.00 . A A . 2 ARG CZ 1 1
8 2074 1 1 2 ARG H H -3.029 -5.712 -0.792 1.00 . A A . 2 ARG H 1 1
8 2075 1 1 2 ARG HA H -2.904 -3.049 -1.978 1.00 . A A . 2 ARG HA 1 1
8 2076 1 1 2 ARG HB2 H -4.364 -4.546 -3.053 1.00 . A A . 2 ARG HB2 1 1
8 2077 1 1 2 ARG HB3 H -4.993 -5.140 -1.541 1.00 . A A . 2 ARG HB3 1 1
8 2078 1 1 2 ARG HD2 H -6.682 -4.040 -3.999 1.00 . A A . 2 ARG HD2 1 1
8 2079 1 1 2 ARG HD3 H -6.929 -5.078 -2.596 1.00 . A A . 2 ARG HD3 1 1
8 2080 1 1 2 ARG HE H -8.673 -3.607 -1.869 1.00 . A A . 2 ARG HE 1 1
8 2081 1 1 2 ARG HG2 H -6.199 -3.100 -1.208 1.00 . A A . 2 ARG HG2 1 1
8 2082 1 1 2 ARG HG3 H -5.569 -2.451 -2.712 1.00 . A A . 2 ARG HG3 1 1
8 2083 1 1 2 ARG HH11 H -7.423 -2.881 -5.059 1.00 . A A . 2 ARG HH11 1 1
8 2084 1 1 2 ARG HH12 H -8.843 -2.024 -5.559 1.00 . A A . 2 ARG HH12 1 1
8 2085 1 1 2 ARG HH21 H -10.545 -2.487 -2.530 1.00 . A A . 2 ARG HH21 1 1
8 2086 1 1 2 ARG HH22 H -10.613 -1.782 -4.114 1.00 . A A . 2 ARG HH22 1 1
8 2087 1 1 2 ARG N N -2.583 -4.878 -1.078 1.00 . A A . 2 ARG N 1 1
8 2088 1 1 2 ARG NE N -8.244 -3.465 -2.748 1.00 . A A . 2 ARG NE 1 1
8 2089 1 1 2 ARG NH1 N -8.342 -2.540 -4.859 1.00 . A A . 2 ARG NH1 1 1
8 2090 1 1 2 ARG NH2 N -10.116 -2.312 -3.422 1.00 . A A . 2 ARG NH2 1 1
8 2091 1 1 2 ARG O O -4.724 -2.271 0.101 1.00 . A A . 2 ARG O 1 1
8 2092 1 1 3 ILE C C -3.969 -1.622 2.619 1.00 . A A . 3 ILE C 1 1
8 2093 1 1 3 ILE CA C -3.073 -2.841 2.395 1.00 . A A . 3 ILE CA 1 1
8 2094 1 1 3 ILE CB C -1.740 -2.604 3.145 1.00 . A A . 3 ILE CB 1 1
8 2095 1 1 3 ILE CD1 C 0.646 -3.480 3.418 1.00 . A A . 3 ILE CD1 1 1
8 2096 1 1 3 ILE CG1 C -0.737 -3.706 2.832 1.00 . A A . 3 ILE CG1 1 1
8 2097 1 1 3 ILE CG2 C -1.982 -2.542 4.641 1.00 . A A . 3 ILE CG2 1 1
8 2098 1 1 3 ILE H H -2.006 -3.589 0.729 1.00 . A A . 3 ILE H 1 1
8 2099 1 1 3 ILE HA H -3.548 -3.681 2.847 1.00 . A A . 3 ILE HA 1 1
8 2100 1 1 3 ILE HB H -1.337 -1.655 2.829 1.00 . A A . 3 ILE HB 1 1
8 2101 1 1 3 ILE HD11 H 1.108 -2.628 2.936 1.00 . A A . 3 ILE HD11 1 1
8 2102 1 1 3 ILE HD12 H 1.255 -4.356 3.254 1.00 . A A . 3 ILE HD12 1 1
8 2103 1 1 3 ILE HD13 H 0.562 -3.292 4.477 1.00 . A A . 3 ILE HD13 1 1
8 2104 1 1 3 ILE HG12 H -1.108 -4.644 3.210 1.00 . A A . 3 ILE HG12 1 1
8 2105 1 1 3 ILE HG13 H -0.636 -3.768 1.774 1.00 . A A . 3 ILE HG13 1 1
8 2106 1 1 3 ILE HG21 H -2.436 -3.464 4.966 1.00 . A A . 3 ILE HG21 1 1
8 2107 1 1 3 ILE HG22 H -2.636 -1.715 4.867 1.00 . A A . 3 ILE HG22 1 1
8 2108 1 1 3 ILE HG23 H -1.039 -2.409 5.147 1.00 . A A . 3 ILE HG23 1 1
8 2109 1 1 3 ILE N N -2.853 -3.189 0.974 1.00 . A A . 3 ILE N 1 1
8 2110 1 1 3 ILE O O -3.529 -0.475 2.584 1.00 . A A . 3 ILE O 1 1
8 2111 1 1 4 CYS C C -6.223 0.314 2.401 1.00 . A A . 4 CYS C 1 1
8 2112 1 1 4 CYS CA C -6.272 -0.966 3.247 1.00 . A A . 4 CYS CA 1 1
8 2113 1 1 4 CYS CB C -6.226 -0.605 4.730 1.00 . A A . 4 CYS CB 1 1
8 2114 1 1 4 CYS H H -5.452 -2.888 2.884 1.00 . A A . 4 CYS H 1 1
8 2115 1 1 4 CYS HA H -7.216 -1.453 3.058 1.00 . A A . 4 CYS HA 1 1
8 2116 1 1 4 CYS HB2 H -5.497 -1.227 5.229 1.00 . A A . 4 CYS HB2 1 1
8 2117 1 1 4 CYS HB3 H -5.941 0.436 4.827 1.00 . A A . 4 CYS HB3 1 1
8 2118 1 1 4 CYS N N -5.219 -1.936 2.910 1.00 . A A . 4 CYS N 1 1
8 2119 1 1 4 CYS O O -5.758 0.323 1.262 1.00 . A A . 4 CYS O 1 1
8 2120 1 1 4 CYS SG S -7.829 -0.820 5.575 1.00 . A A . 4 CYS SG 1 1
8 2121 1 1 5 CYS C C -5.671 3.552 2.887 1.00 . A A . 5 CYS C 1 1
8 2122 1 1 5 CYS CA C -6.756 2.672 2.285 1.00 . A A . 5 CYS CA 1 1
8 2123 1 1 5 CYS CB C -8.122 3.326 2.452 1.00 . A A . 5 CYS CB 1 1
8 2124 1 1 5 CYS H H -7.174 1.317 3.837 1.00 . A A . 5 CYS H 1 1
8 2125 1 1 5 CYS HA H -6.559 2.518 1.241 1.00 . A A . 5 CYS HA 1 1
8 2126 1 1 5 CYS HB2 H -8.887 2.621 2.163 1.00 . A A . 5 CYS HB2 1 1
8 2127 1 1 5 CYS HB3 H -8.248 3.576 3.487 1.00 . A A . 5 CYS HB3 1 1
8 2128 1 1 5 CYS N N -6.760 1.387 2.950 1.00 . A A . 5 CYS N 1 1
8 2129 1 1 5 CYS O O -5.580 3.688 4.107 1.00 . A A . 5 CYS O 1 1
8 2130 1 1 5 CYS SG S -8.374 4.840 1.474 1.00 . A A . 5 CYS SG 1 1
8 2131 1 1 6 GLY C C -2.436 4.553 1.959 1.00 . A A . 6 GLY C 1 1
8 2132 1 1 6 GLY CA C -3.771 4.973 2.512 1.00 . A A . 6 GLY CA 1 1
8 2133 1 1 6 GLY H H -4.901 3.922 1.074 1.00 . A A . 6 GLY H 1 1
8 2134 1 1 6 GLY HA2 H -3.978 5.989 2.206 1.00 . A A . 6 GLY HA2 1 1
8 2135 1 1 6 GLY HA3 H -3.736 4.928 3.590 1.00 . A A . 6 GLY HA3 1 1
8 2136 1 1 6 GLY N N -4.827 4.113 2.037 1.00 . A A . 6 GLY N 1 1
8 2137 1 1 6 GLY O O -2.375 3.897 0.915 1.00 . A A . 6 GLY O 1 1
8 2138 1 1 7 CYS C C 0.630 3.576 3.106 1.00 . A A . 7 CYS C 1 1
8 2139 1 1 7 CYS CA C -0.037 4.575 2.173 1.00 . A A . 7 CYS CA 1 1
8 2140 1 1 7 CYS CB C 0.825 5.843 2.073 1.00 . A A . 7 CYS CB 1 1
8 2141 1 1 7 CYS H H -1.475 5.327 3.527 1.00 . A A . 7 CYS H 1 1
8 2142 1 1 7 CYS HA H -0.132 4.132 1.200 1.00 . A A . 7 CYS HA 1 1
8 2143 1 1 7 CYS HB2 H 1.030 6.197 3.072 1.00 . A A . 7 CYS HB2 1 1
8 2144 1 1 7 CYS HB3 H 1.761 5.584 1.599 1.00 . A A . 7 CYS HB3 1 1
8 2145 1 1 7 CYS N N -1.368 4.881 2.661 1.00 . A A . 7 CYS N 1 1
8 2146 1 1 7 CYS O O 0.745 3.813 4.307 1.00 . A A . 7 CYS O 1 1
8 2147 1 1 7 CYS SG S 0.104 7.251 1.139 1.00 . A A . 7 CYS SG 1 1
8 2148 1 1 8 TYR C C 3.031 1.041 2.800 1.00 . A A . 8 TYR C 1 1
8 2149 1 1 8 TYR CA C 1.642 1.376 3.312 1.00 . A A . 8 TYR CA 1 1
8 2150 1 1 8 TYR CB C 0.757 0.136 3.245 1.00 . A A . 8 TYR CB 1 1
8 2151 1 1 8 TYR CD1 C 1.260 -0.815 0.973 1.00 . A A . 8 TYR CD1 1 1
8 2152 1 1 8 TYR CD2 C -0.959 -0.073 1.389 1.00 . A A . 8 TYR CD2 1 1
8 2153 1 1 8 TYR CE1 C 0.910 -1.170 -0.308 1.00 . A A . 8 TYR CE1 1 1
8 2154 1 1 8 TYR CE2 C -1.323 -0.432 0.105 1.00 . A A . 8 TYR CE2 1 1
8 2155 1 1 8 TYR CG C 0.340 -0.261 1.844 1.00 . A A . 8 TYR CG 1 1
8 2156 1 1 8 TYR CZ C -0.464 -0.997 -0.709 1.00 . A A . 8 TYR CZ 1 1
8 2157 1 1 8 TYR H H 0.969 2.345 1.572 1.00 . A A . 8 TYR H 1 1
8 2158 1 1 8 TYR HA H 1.715 1.701 4.337 1.00 . A A . 8 TYR HA 1 1
8 2159 1 1 8 TYR HB2 H 1.294 -0.691 3.671 1.00 . A A . 8 TYR HB2 1 1
8 2160 1 1 8 TYR HB3 H -0.139 0.312 3.821 1.00 . A A . 8 TYR HB3 1 1
8 2161 1 1 8 TYR HD1 H 2.276 -0.959 1.307 1.00 . A A . 8 TYR HD1 1 1
8 2162 1 1 8 TYR HD2 H -1.693 0.358 2.055 1.00 . A A . 8 TYR HD2 1 1
8 2163 1 1 8 TYR HE1 H 1.655 -1.584 -0.970 1.00 . A A . 8 TYR HE1 1 1
8 2164 1 1 8 TYR HE2 H -2.336 -0.277 -0.233 1.00 . A A . 8 TYR HE2 1 1
8 2165 1 1 8 TYR HH H -1.180 -0.599 -2.450 1.00 . A A . 8 TYR HH 1 1
8 2166 1 1 8 TYR N N 1.056 2.456 2.542 1.00 . A A . 8 TYR N 1 1
8 2167 1 1 8 TYR O O 3.385 1.388 1.678 1.00 . A A . 8 TYR O 1 1
8 2168 1 1 8 TYR OH O -0.736 -1.344 -2.018 1.00 . A A . 8 TYR OH 1 1
8 2169 1 1 9 TRP C C 5.208 -1.423 2.721 1.00 . A A . 9 TRP C 1 1
8 2170 1 1 9 TRP CA C 5.165 0.011 3.227 1.00 . A A . 9 TRP CA 1 1
8 2171 1 1 9 TRP CB C 6.150 0.190 4.381 1.00 . A A . 9 TRP CB 1 1
8 2172 1 1 9 TRP CD1 C 8.214 -1.271 4.022 1.00 . A A . 9 TRP CD1 1 1
8 2173 1 1 9 TRP CD2 C 8.489 0.865 3.417 1.00 . A A . 9 TRP CD2 1 1
8 2174 1 1 9 TRP CE2 C 9.681 0.169 3.158 1.00 . A A . 9 TRP CE2 1 1
8 2175 1 1 9 TRP CE3 C 8.427 2.227 3.117 1.00 . A A . 9 TRP CE3 1 1
8 2176 1 1 9 TRP CG C 7.562 -0.077 3.967 1.00 . A A . 9 TRP CG 1 1
8 2177 1 1 9 TRP CH2 C 10.707 2.126 2.328 1.00 . A A . 9 TRP CH2 1 1
8 2178 1 1 9 TRP CZ2 C 10.800 0.793 2.614 1.00 . A A . 9 TRP CZ2 1 1
8 2179 1 1 9 TRP CZ3 C 9.537 2.843 2.576 1.00 . A A . 9 TRP CZ3 1 1
8 2180 1 1 9 TRP H H 3.465 0.072 4.487 1.00 . A A . 9 TRP H 1 1
8 2181 1 1 9 TRP HA H 5.453 0.666 2.419 1.00 . A A . 9 TRP HA 1 1
8 2182 1 1 9 TRP HB2 H 6.093 1.203 4.749 1.00 . A A . 9 TRP HB2 1 1
8 2183 1 1 9 TRP HB3 H 5.898 -0.495 5.176 1.00 . A A . 9 TRP HB3 1 1
8 2184 1 1 9 TRP HD1 H 7.775 -2.184 4.392 1.00 . A A . 9 TRP HD1 1 1
8 2185 1 1 9 TRP HE1 H 10.153 -1.861 3.455 1.00 . A A . 9 TRP HE1 1 1
8 2186 1 1 9 TRP HE3 H 7.534 2.797 3.301 1.00 . A A . 9 TRP HE3 1 1
8 2187 1 1 9 TRP HH2 H 11.549 2.648 1.906 1.00 . A A . 9 TRP HH2 1 1
8 2188 1 1 9 TRP HZ2 H 11.712 0.255 2.410 1.00 . A A . 9 TRP HZ2 1 1
8 2189 1 1 9 TRP HZ3 H 9.504 3.893 2.331 1.00 . A A . 9 TRP HZ3 1 1
8 2190 1 1 9 TRP N N 3.815 0.369 3.618 1.00 . A A . 9 TRP N 1 1
8 2191 1 1 9 TRP NE1 N 9.486 -1.135 3.529 1.00 . A A . 9 TRP NE1 1 1
8 2192 1 1 9 TRP O O 4.963 -2.370 3.472 1.00 . A A . 9 TRP O 1 1
8 2193 1 1 10 ASN C C 7.078 -3.135 0.393 1.00 . A A . 10 ASN C 1 1
8 2194 1 1 10 ASN CA C 5.636 -2.886 0.835 1.00 . A A . 10 ASN CA 1 1
8 2195 1 1 10 ASN CB C 4.676 -3.003 -0.357 1.00 . A A . 10 ASN CB 1 1
8 2196 1 1 10 ASN CG C 4.781 -4.326 -1.101 1.00 . A A . 10 ASN CG 1 1
8 2197 1 1 10 ASN H H 5.648 -0.777 0.891 1.00 . A A . 10 ASN H 1 1
8 2198 1 1 10 ASN HA H 5.367 -3.624 1.577 1.00 . A A . 10 ASN HA 1 1
8 2199 1 1 10 ASN HB2 H 3.663 -2.898 -0.002 1.00 . A A . 10 ASN HB2 1 1
8 2200 1 1 10 ASN HB3 H 4.888 -2.205 -1.054 1.00 . A A . 10 ASN HB3 1 1
8 2201 1 1 10 ASN HD21 H 5.243 -5.296 0.573 1.00 . A A . 10 ASN HD21 1 1
8 2202 1 1 10 ASN HD22 H 5.177 -6.256 -0.860 1.00 . A A . 10 ASN HD22 1 1
8 2203 1 1 10 ASN N N 5.509 -1.574 1.444 1.00 . A A . 10 ASN N 1 1
8 2204 1 1 10 ASN ND2 N 5.095 -5.400 -0.390 1.00 . A A . 10 ASN ND2 1 1
8 2205 1 1 10 ASN O O 7.467 -2.799 -0.726 1.00 . A A . 10 ASN O 1 1
8 2206 1 1 10 ASN OD1 O 4.564 -4.382 -2.311 1.00 . A A . 10 ASN OD1 1 1
8 2207 1 1 11 GLY C C 10.249 -3.043 0.922 1.00 . A A . 11 GLY C 1 1
8 2208 1 1 11 GLY CA C 9.207 -4.144 0.944 1.00 . A A . 11 GLY CA 1 1
8 2209 1 1 11 GLY H H 7.550 -3.808 2.215 1.00 . A A . 11 GLY H 1 1
8 2210 1 1 11 GLY HA2 H 9.517 -4.883 1.666 1.00 . A A . 11 GLY HA2 1 1
8 2211 1 1 11 GLY HA3 H 9.172 -4.605 -0.028 1.00 . A A . 11 GLY HA3 1 1
8 2212 1 1 11 GLY N N 7.872 -3.697 1.294 1.00 . A A . 11 GLY N 1 1
8 2213 1 1 11 GLY O O 10.933 -2.813 1.919 1.00 . A A . 11 GLY O 1 1
8 2214 1 1 12 SER C C 10.922 0.011 -0.590 1.00 . A A . 12 SER C 1 1
8 2215 1 1 12 SER CA C 11.462 -1.401 -0.378 1.00 . A A . 12 SER CA 1 1
8 2216 1 1 12 SER CB C 12.351 -1.810 -1.556 1.00 . A A . 12 SER CB 1 1
8 2217 1 1 12 SER H H 9.760 -2.529 -0.951 1.00 . A A . 12 SER H 1 1
8 2218 1 1 12 SER HA H 12.055 -1.410 0.524 1.00 . A A . 12 SER HA 1 1
8 2219 1 1 12 SER HB2 H 12.630 -2.847 -1.447 1.00 . A A . 12 SER HB2 1 1
8 2220 1 1 12 SER HB3 H 11.803 -1.681 -2.477 1.00 . A A . 12 SER HB3 1 1
8 2221 1 1 12 SER HG H 13.408 -0.226 -1.082 1.00 . A A . 12 SER HG 1 1
8 2222 1 1 12 SER N N 10.388 -2.369 -0.210 1.00 . A A . 12 SER N 1 1
8 2223 1 1 12 SER O O 11.684 0.981 -0.577 1.00 . A A . 12 SER O 1 1
8 2224 1 1 12 SER OG O 13.532 -1.025 -1.612 1.00 . A A . 12 SER OG 1 1
8 2225 1 1 13 LYS C C 7.637 1.493 -0.307 1.00 . A A . 13 LYS C 1 1
8 2226 1 1 13 LYS CA C 8.993 1.430 -0.982 1.00 . A A . 13 LYS CA 1 1
8 2227 1 1 13 LYS CB C 8.815 1.725 -2.475 1.00 . A A . 13 LYS CB 1 1
8 2228 1 1 13 LYS CD C 9.861 2.383 -4.670 1.00 . A A . 13 LYS CD 1 1
8 2229 1 1 13 LYS CE C 9.153 1.263 -5.417 1.00 . A A . 13 LYS CE 1 1
8 2230 1 1 13 LYS CG C 10.111 2.026 -3.215 1.00 . A A . 13 LYS CG 1 1
8 2231 1 1 13 LYS H H 9.056 -0.676 -0.788 1.00 . A A . 13 LYS H 1 1
8 2232 1 1 13 LYS HA H 9.638 2.179 -0.544 1.00 . A A . 13 LYS HA 1 1
8 2233 1 1 13 LYS HB2 H 8.359 0.864 -2.936 1.00 . A A . 13 LYS HB2 1 1
8 2234 1 1 13 LYS HB3 H 8.151 2.573 -2.586 1.00 . A A . 13 LYS HB3 1 1
8 2235 1 1 13 LYS HD2 H 9.250 3.270 -4.704 1.00 . A A . 13 LYS HD2 1 1
8 2236 1 1 13 LYS HD3 H 10.810 2.580 -5.148 1.00 . A A . 13 LYS HD3 1 1
8 2237 1 1 13 LYS HE2 H 9.777 0.382 -5.395 1.00 . A A . 13 LYS HE2 1 1
8 2238 1 1 13 LYS HE3 H 8.217 1.052 -4.922 1.00 . A A . 13 LYS HE3 1 1
8 2239 1 1 13 LYS HG2 H 10.597 2.861 -2.738 1.00 . A A . 13 LYS HG2 1 1
8 2240 1 1 13 LYS HG3 H 10.752 1.157 -3.170 1.00 . A A . 13 LYS HG3 1 1
8 2241 1 1 13 LYS HZ1 H 8.428 0.829 -7.325 1.00 . A A . 13 LYS HZ1 1 1
8 2242 1 1 13 LYS HZ2 H 9.765 1.864 -7.321 1.00 . A A . 13 LYS HZ2 1 1
8 2243 1 1 13 LYS HZ3 H 8.244 2.449 -6.874 1.00 . A A . 13 LYS HZ3 1 1
8 2244 1 1 13 LYS N N 9.616 0.130 -0.779 1.00 . A A . 13 LYS N 1 1
8 2245 1 1 13 LYS NZ N 8.879 1.626 -6.832 1.00 . A A . 13 LYS NZ 1 1
8 2246 1 1 13 LYS O O 7.028 0.464 -0.004 1.00 . A A . 13 LYS O 1 1
8 2247 1 1 14 ASP C C 4.887 3.071 -0.755 1.00 . A A . 14 ASP C 1 1
8 2248 1 1 14 ASP CA C 5.830 2.919 0.426 1.00 . A A . 14 ASP CA 1 1
8 2249 1 1 14 ASP CB C 5.749 4.139 1.359 1.00 . A A . 14 ASP CB 1 1
8 2250 1 1 14 ASP CG C 6.009 5.458 0.662 1.00 . A A . 14 ASP CG 1 1
8 2251 1 1 14 ASP H H 7.751 3.484 -0.238 1.00 . A A . 14 ASP H 1 1
8 2252 1 1 14 ASP HA H 5.546 2.035 0.979 1.00 . A A . 14 ASP HA 1 1
8 2253 1 1 14 ASP HB2 H 4.763 4.179 1.796 1.00 . A A . 14 ASP HB2 1 1
8 2254 1 1 14 ASP HB3 H 6.477 4.023 2.148 1.00 . A A . 14 ASP HB3 1 1
8 2255 1 1 14 ASP N N 7.175 2.708 -0.068 1.00 . A A . 14 ASP N 1 1
8 2256 1 1 14 ASP O O 5.112 3.884 -1.655 1.00 . A A . 14 ASP O 1 1
8 2257 1 1 14 ASP OD1 O 7.180 5.746 0.341 1.00 . A A . 14 ASP OD1 1 1
8 2258 1 1 14 ASP OD2 O 5.042 6.201 0.407 1.00 . A A . 14 ASP OD2 1 1
8 2259 1 1 15 VAL C C 1.553 2.646 -1.337 1.00 . A A . 15 VAL C 1 1
8 2260 1 1 15 VAL CA C 2.910 2.214 -1.847 1.00 . A A . 15 VAL CA 1 1
8 2261 1 1 15 VAL CB C 2.809 0.799 -2.456 1.00 . A A . 15 VAL CB 1 1
8 2262 1 1 15 VAL CG1 C 1.832 0.779 -3.623 1.00 . A A . 15 VAL CG1 1 1
8 2263 1 1 15 VAL CG2 C 4.179 0.300 -2.893 1.00 . A A . 15 VAL CG2 1 1
8 2264 1 1 15 VAL H H 3.690 1.694 0.020 1.00 . A A . 15 VAL H 1 1
8 2265 1 1 15 VAL HA H 3.240 2.899 -2.613 1.00 . A A . 15 VAL HA 1 1
8 2266 1 1 15 VAL HB H 2.435 0.130 -1.694 1.00 . A A . 15 VAL HB 1 1
8 2267 1 1 15 VAL HG11 H 0.857 1.099 -3.284 1.00 . A A . 15 VAL HG11 1 1
8 2268 1 1 15 VAL HG12 H 1.765 -0.223 -4.020 1.00 . A A . 15 VAL HG12 1 1
8 2269 1 1 15 VAL HG13 H 2.181 1.448 -4.395 1.00 . A A . 15 VAL HG13 1 1
8 2270 1 1 15 VAL HG21 H 4.088 -0.696 -3.297 1.00 . A A . 15 VAL HG21 1 1
8 2271 1 1 15 VAL HG22 H 4.845 0.285 -2.044 1.00 . A A . 15 VAL HG22 1 1
8 2272 1 1 15 VAL HG23 H 4.577 0.960 -3.651 1.00 . A A . 15 VAL HG23 1 1
8 2273 1 1 15 VAL N N 3.851 2.261 -0.760 1.00 . A A . 15 VAL N 1 1
8 2274 1 1 15 VAL O O 0.986 2.033 -0.435 1.00 . A A . 15 VAL O 1 1
8 2275 1 1 16 CYS C C -1.300 3.674 -2.438 1.00 . A A . 16 CYS C 1 1
8 2276 1 1 16 CYS CA C -0.241 4.227 -1.501 1.00 . A A . 16 CYS CA 1 1
8 2277 1 1 16 CYS CB C -0.266 5.750 -1.509 1.00 . A A . 16 CYS CB 1 1
8 2278 1 1 16 CYS H H 1.614 4.222 -2.521 1.00 . A A . 16 CYS H 1 1
8 2279 1 1 16 CYS HA H -0.461 3.876 -0.508 1.00 . A A . 16 CYS HA 1 1
8 2280 1 1 16 CYS HB2 H 0.742 6.126 -1.425 1.00 . A A . 16 CYS HB2 1 1
8 2281 1 1 16 CYS HB3 H -0.697 6.075 -2.440 1.00 . A A . 16 CYS HB3 1 1
8 2282 1 1 16 CYS N N 1.069 3.732 -1.874 1.00 . A A . 16 CYS N 1 1
8 2283 1 1 16 CYS O O -1.167 3.730 -3.662 1.00 . A A . 16 CYS O 1 1
8 2284 1 1 16 CYS SG S -1.256 6.479 -0.163 1.00 . A A . 16 CYS SG 1 1
8 2285 1 1 17 SER C C -4.738 2.713 -1.838 1.00 . A A . 17 SER C 1 1
8 2286 1 1 17 SER CA C -3.422 2.489 -2.569 1.00 . A A . 17 SER CA 1 1
8 2287 1 1 17 SER CB C -3.148 0.989 -2.698 1.00 . A A . 17 SER CB 1 1
8 2288 1 1 17 SER H H -2.412 3.214 -0.864 1.00 . A A . 17 SER H 1 1
8 2289 1 1 17 SER HA H -3.483 2.929 -3.552 1.00 . A A . 17 SER HA 1 1
8 2290 1 1 17 SER HB2 H -3.180 0.534 -1.719 1.00 . A A . 17 SER HB2 1 1
8 2291 1 1 17 SER HB3 H -3.904 0.542 -3.325 1.00 . A A . 17 SER HB3 1 1
8 2292 1 1 17 SER HG H -1.401 0.089 -2.733 1.00 . A A . 17 SER HG 1 1
8 2293 1 1 17 SER N N -2.347 3.142 -1.840 1.00 . A A . 17 SER N 1 1
8 2294 1 1 17 SER O O -4.760 3.323 -0.766 1.00 . A A . 17 SER O 1 1
8 2295 1 1 17 SER OG O -1.875 0.743 -3.272 1.00 . A A . 17 SER OG 1 1
8 2296 1 1 18 GLN C C -7.945 1.149 -1.760 1.00 . A A . 18 GLN C 1 1
8 2297 1 1 18 GLN CA C -7.138 2.444 -1.816 1.00 . A A . 18 GLN CA 1 1
8 2298 1 1 18 GLN CB C -7.884 3.523 -2.599 1.00 . A A . 18 GLN CB 1 1
8 2299 1 1 18 GLN CD C -7.957 5.969 -3.238 1.00 . A A . 18 GLN CD 1 1
8 2300 1 1 18 GLN CG C -7.240 4.884 -2.464 1.00 . A A . 18 GLN CG 1 1
8 2301 1 1 18 GLN H H -5.760 1.729 -3.248 1.00 . A A . 18 GLN H 1 1
8 2302 1 1 18 GLN HA H -6.982 2.800 -0.810 1.00 . A A . 18 GLN HA 1 1
8 2303 1 1 18 GLN HB2 H -7.886 3.258 -3.642 1.00 . A A . 18 GLN HB2 1 1
8 2304 1 1 18 GLN HB3 H -8.901 3.586 -2.240 1.00 . A A . 18 GLN HB3 1 1
8 2305 1 1 18 GLN HE21 H -7.357 7.326 -1.917 1.00 . A A . 18 GLN HE21 1 1
8 2306 1 1 18 GLN HE22 H -8.324 7.919 -3.223 1.00 . A A . 18 GLN HE22 1 1
8 2307 1 1 18 GLN HG2 H -7.225 5.159 -1.420 1.00 . A A . 18 GLN HG2 1 1
8 2308 1 1 18 GLN HG3 H -6.232 4.806 -2.827 1.00 . A A . 18 GLN HG3 1 1
8 2309 1 1 18 GLN N N -5.831 2.232 -2.408 1.00 . A A . 18 GLN N 1 1
8 2310 1 1 18 GLN NE2 N -7.873 7.194 -2.744 1.00 . A A . 18 GLN NE2 1 1
8 2311 1 1 18 GLN O O -8.811 0.905 -2.600 1.00 . A A . 18 GLN O 1 1
8 2312 1 1 18 GLN OE1 O -8.574 5.714 -4.270 1.00 . A A . 18 GLN OE1 1 1
8 2313 1 1 19 SER C C -9.681 -0.663 0.166 1.00 . A A . 19 SER C 1 1
8 2314 1 1 19 SER CA C -8.373 -0.927 -0.570 1.00 . A A . 19 SER CA 1 1
8 2315 1 1 19 SER CB C -7.555 -1.886 0.273 1.00 . A A . 19 SER CB 1 1
8 2316 1 1 19 SER H H -6.913 0.550 -0.151 1.00 . A A . 19 SER H 1 1
8 2317 1 1 19 SER HA H -8.557 -1.378 -1.534 1.00 . A A . 19 SER HA 1 1
8 2318 1 1 19 SER HB2 H -6.526 -1.858 -0.042 1.00 . A A . 19 SER HB2 1 1
8 2319 1 1 19 SER HB3 H -7.617 -1.574 1.297 1.00 . A A . 19 SER HB3 1 1
8 2320 1 1 19 SER HG H -7.434 -3.808 0.641 1.00 . A A . 19 SER HG 1 1
8 2321 1 1 19 SER N N -7.650 0.321 -0.767 1.00 . A A . 19 SER N 1 1
8 2322 1 1 19 SER O O -10.771 -0.933 -0.335 1.00 . A A . 19 SER O 1 1
8 2323 1 1 19 SER OG O -8.041 -3.215 0.178 1.00 . A A . 19 SER OG 1 1
8 2324 1 1 20 CYS C C -11.391 1.372 2.054 1.00 . A A . 20 CYS C 1 1
8 2325 1 1 20 CYS CA C -10.651 0.060 2.296 1.00 . A A . 20 CYS CA 1 1
8 2326 1 1 20 CYS CB C -10.126 0.011 3.736 1.00 . A A . 20 CYS CB 1 1
8 2327 1 1 20 CYS H H -8.656 0.215 1.633 1.00 . A A . 20 CYS H 1 1
8 2328 1 1 20 CYS HA H -11.333 -0.761 2.145 1.00 . A A . 20 CYS HA 1 1
8 2329 1 1 20 CYS HB2 H -9.531 0.893 3.924 1.00 . A A . 20 CYS HB2 1 1
8 2330 1 1 20 CYS HB3 H -10.965 -0.001 4.417 1.00 . A A . 20 CYS HB3 1 1
8 2331 1 1 20 CYS N N -9.541 -0.103 1.365 1.00 . A A . 20 CYS N 1 1
8 2332 1 1 20 CYS O O -11.903 1.989 2.986 1.00 . A A . 20 CYS O 1 1
8 2333 1 1 20 CYS SG S -9.089 -1.446 4.105 1.00 . A A . 20 CYS SG 1 1
8 2334 1 1 21 CYS C C -12.534 2.970 -1.034 1.00 . A A . 21 CYS C 1 1
8 2335 1 1 21 CYS CA C -12.137 3.017 0.438 1.00 . A A . 21 CYS CA 1 1
8 2336 1 1 21 CYS CB C -11.282 4.255 0.749 1.00 . A A . 21 CYS CB 1 1
8 2337 1 1 21 CYS H H -10.985 1.280 0.101 1.00 . A A . 21 CYS H 1 1
8 2338 1 1 21 CYS HA H -13.038 3.059 1.032 1.00 . A A . 21 CYS HA 1 1
8 2339 1 1 21 CYS HB2 H -11.794 5.133 0.389 1.00 . A A . 21 CYS HB2 1 1
8 2340 1 1 21 CYS HB3 H -11.154 4.334 1.820 1.00 . A A . 21 CYS HB3 1 1
8 2341 1 1 21 CYS N N -11.433 1.800 0.803 1.00 . A A . 21 CYS N 1 1
8 2342 1 1 21 CYS O O -13.688 2.587 -1.323 1.00 . A A . 21 CYS O 1 1
8 2343 1 1 21 CYS OXT O -11.693 3.275 -1.900 1.00 . A A . 21 CYS OXT 1 1
8 2344 1 1 21 CYS SG S -9.623 4.236 -0.007 1.00 . A A . 21 CYS SG 1 1
9 2345 1 1 1 THR C C -1.040 -4.791 -1.129 1.00 . A A . 1 THR C 1 1
9 2346 1 1 1 THR CA C -0.284 -6.043 -0.662 1.00 . A A . 1 THR CA 1 1
9 2347 1 1 1 THR CB C 0.369 -6.755 -1.875 1.00 . A A . 1 THR CB 1 1
9 2348 1 1 1 THR CG2 C -0.648 -7.022 -2.977 1.00 . A A . 1 THR CG2 1 1
9 2349 1 1 1 THR H1 H -0.661 -7.809 0.369 1.00 . A A . 1 THR H1 1 1
9 2350 1 1 1 THR H2 H -1.965 -7.265 -0.548 1.00 . A A . 1 THR H2 1 1
9 2351 1 1 1 THR H3 H -1.578 -6.498 0.906 1.00 . A A . 1 THR H3 1 1
9 2352 1 1 1 THR HA H 0.500 -5.738 0.011 1.00 . A A . 1 THR HA 1 1
9 2353 1 1 1 THR HB H 0.764 -7.703 -1.539 1.00 . A A . 1 THR HB 1 1
9 2354 1 1 1 THR HG1 H 1.268 -5.748 -3.318 1.00 . A A . 1 THR HG1 1 1
9 2355 1 1 1 THR HG21 H -1.413 -7.687 -2.605 1.00 . A A . 1 THR HG21 1 1
9 2356 1 1 1 THR HG22 H -0.152 -7.479 -3.821 1.00 . A A . 1 THR HG22 1 1
9 2357 1 1 1 THR HG23 H -1.097 -6.089 -3.284 1.00 . A A . 1 THR HG23 1 1
9 2358 1 1 1 THR N N -1.185 -6.966 0.065 1.00 . A A . 1 THR N 1 1
9 2359 1 1 1 THR O O -0.475 -3.917 -1.786 1.00 . A A . 1 THR O 1 1
9 2360 1 1 1 THR OG1 O 1.447 -5.970 -2.397 1.00 . A A . 1 THR OG1 1 1
9 2361 1 1 2 ARG C C -3.533 -2.817 0.146 1.00 . A A . 2 ARG C 1 1
9 2362 1 1 2 ARG CA C -3.164 -3.594 -1.128 1.00 . A A . 2 ARG CA 1 1
9 2363 1 1 2 ARG CB C -4.409 -4.170 -1.833 1.00 . A A . 2 ARG CB 1 1
9 2364 1 1 2 ARG CD C -4.670 -2.068 -3.106 1.00 . A A . 2 ARG CD 1 1
9 2365 1 1 2 ARG CG C -5.392 -3.151 -2.363 1.00 . A A . 2 ARG CG 1 1
9 2366 1 1 2 ARG CZ C -3.022 -2.051 -4.956 1.00 . A A . 2 ARG CZ 1 1
9 2367 1 1 2 ARG H H -2.725 -5.431 -0.280 1.00 . A A . 2 ARG H 1 1
9 2368 1 1 2 ARG HA H -2.620 -2.956 -1.800 1.00 . A A . 2 ARG HA 1 1
9 2369 1 1 2 ARG HB2 H -4.086 -4.779 -2.662 1.00 . A A . 2 ARG HB2 1 1
9 2370 1 1 2 ARG HB3 H -4.930 -4.794 -1.133 1.00 . A A . 2 ARG HB3 1 1
9 2371 1 1 2 ARG HD2 H -5.348 -1.246 -3.285 1.00 . A A . 2 ARG HD2 1 1
9 2372 1 1 2 ARG HD3 H -3.869 -1.752 -2.468 1.00 . A A . 2 ARG HD3 1 1
9 2373 1 1 2 ARG HE H -4.622 -3.245 -4.850 1.00 . A A . 2 ARG HE 1 1
9 2374 1 1 2 ARG HG2 H -6.084 -3.640 -3.027 1.00 . A A . 2 ARG HG2 1 1
9 2375 1 1 2 ARG HG3 H -5.926 -2.717 -1.538 1.00 . A A . 2 ARG HG3 1 1
9 2376 1 1 2 ARG HH11 H -2.569 -0.776 -3.441 1.00 . A A . 2 ARG HH11 1 1
9 2377 1 1 2 ARG HH12 H -1.474 -0.757 -4.788 1.00 . A A . 2 ARG HH12 1 1
9 2378 1 1 2 ARG HH21 H -3.179 -3.220 -6.602 1.00 . A A . 2 ARG HH21 1 1
9 2379 1 1 2 ARG HH22 H -1.816 -2.148 -6.579 1.00 . A A . 2 ARG HH22 1 1
9 2380 1 1 2 ARG N N -2.319 -4.709 -0.776 1.00 . A A . 2 ARG N 1 1
9 2381 1 1 2 ARG NE N -4.123 -2.538 -4.382 1.00 . A A . 2 ARG NE 1 1
9 2382 1 1 2 ARG NH1 N -2.297 -1.124 -4.348 1.00 . A A . 2 ARG NH1 1 1
9 2383 1 1 2 ARG NH2 N -2.640 -2.509 -6.140 1.00 . A A . 2 ARG NH2 1 1
9 2384 1 1 2 ARG O O -4.471 -2.048 0.157 1.00 . A A . 2 ARG O 1 1
9 2385 1 1 3 ILE C C -3.928 -1.417 2.745 1.00 . A A . 3 ILE C 1 1
9 2386 1 1 3 ILE CA C -3.019 -2.639 2.577 1.00 . A A . 3 ILE CA 1 1
9 2387 1 1 3 ILE CB C -1.737 -2.427 3.416 1.00 . A A . 3 ILE CB 1 1
9 2388 1 1 3 ILE CD1 C 0.577 -3.401 3.856 1.00 . A A . 3 ILE CD1 1 1
9 2389 1 1 3 ILE CG1 C -0.804 -3.624 3.276 1.00 . A A . 3 ILE CG1 1 1
9 2390 1 1 3 ILE CG2 C -2.087 -2.223 4.879 1.00 . A A . 3 ILE CG2 1 1
9 2391 1 1 3 ILE H H -1.821 -3.348 0.985 1.00 . A A . 3 ILE H 1 1
9 2392 1 1 3 ILE HA H -3.529 -3.480 2.986 1.00 . A A . 3 ILE HA 1 1
9 2393 1 1 3 ILE HB H -1.236 -1.542 3.059 1.00 . A A . 3 ILE HB 1 1
9 2394 1 1 3 ILE HD11 H 1.100 -2.657 3.269 1.00 . A A . 3 ILE HD11 1 1
9 2395 1 1 3 ILE HD12 H 1.130 -4.327 3.836 1.00 . A A . 3 ILE HD12 1 1
9 2396 1 1 3 ILE HD13 H 0.488 -3.056 4.875 1.00 . A A . 3 ILE HD13 1 1
9 2397 1 1 3 ILE HG12 H -1.239 -4.475 3.778 1.00 . A A . 3 ILE HG12 1 1
9 2398 1 1 3 ILE HG13 H -0.692 -3.848 2.239 1.00 . A A . 3 ILE HG13 1 1
9 2399 1 1 3 ILE HG21 H -1.185 -2.039 5.440 1.00 . A A . 3 ILE HG21 1 1
9 2400 1 1 3 ILE HG22 H -2.570 -3.111 5.256 1.00 . A A . 3 ILE HG22 1 1
9 2401 1 1 3 ILE HG23 H -2.754 -1.380 4.976 1.00 . A A . 3 ILE HG23 1 1
9 2402 1 1 3 ILE N N -2.696 -2.982 1.175 1.00 . A A . 3 ILE N 1 1
9 2403 1 1 3 ILE O O -3.479 -0.273 2.771 1.00 . A A . 3 ILE O 1 1
9 2404 1 1 4 CYS C C -6.149 0.520 2.331 1.00 . A A . 4 CYS C 1 1
9 2405 1 1 4 CYS CA C -6.260 -0.732 3.208 1.00 . A A . 4 CYS CA 1 1
9 2406 1 1 4 CYS CB C -6.251 -0.324 4.681 1.00 . A A . 4 CYS CB 1 1
9 2407 1 1 4 CYS H H -5.451 -2.668 2.875 1.00 . A A . 4 CYS H 1 1
9 2408 1 1 4 CYS HA H -7.205 -1.206 3.000 1.00 . A A . 4 CYS HA 1 1
9 2409 1 1 4 CYS HB2 H -5.578 -0.967 5.226 1.00 . A A . 4 CYS HB2 1 1
9 2410 1 1 4 CYS HB3 H -5.913 0.703 4.756 1.00 . A A . 4 CYS HB3 1 1
9 2411 1 1 4 CYS N N -5.204 -1.722 2.936 1.00 . A A . 4 CYS N 1 1
9 2412 1 1 4 CYS O O -5.648 0.477 1.210 1.00 . A A . 4 CYS O 1 1
9 2413 1 1 4 CYS SG S -7.893 -0.421 5.472 1.00 . A A . 4 CYS SG 1 1
9 2414 1 1 5 CYS C C -5.415 3.718 2.838 1.00 . A A . 5 CYS C 1 1
9 2415 1 1 5 CYS CA C -6.519 2.910 2.174 1.00 . A A . 5 CYS CA 1 1
9 2416 1 1 5 CYS CB C -7.819 3.691 2.254 1.00 . A A . 5 CYS CB 1 1
9 2417 1 1 5 CYS H H -7.211 1.568 3.654 1.00 . A A . 5 CYS H 1 1
9 2418 1 1 5 CYS HA H -6.269 2.741 1.144 1.00 . A A . 5 CYS HA 1 1
9 2419 1 1 5 CYS HB2 H -7.994 3.947 3.281 1.00 . A A . 5 CYS HB2 1 1
9 2420 1 1 5 CYS HB3 H -7.732 4.593 1.667 1.00 . A A . 5 CYS HB3 1 1
9 2421 1 1 5 CYS N N -6.672 1.623 2.834 1.00 . A A . 5 CYS N 1 1
9 2422 1 1 5 CYS O O -5.301 3.744 4.066 1.00 . A A . 5 CYS O 1 1
9 2423 1 1 5 CYS SG S -9.268 2.773 1.659 1.00 . A A . 5 CYS SG 1 1
9 2424 1 1 6 GLY C C -2.193 4.763 1.968 1.00 . A A . 6 GLY C 1 1
9 2425 1 1 6 GLY CA C -3.522 5.177 2.547 1.00 . A A . 6 GLY CA 1 1
9 2426 1 1 6 GLY H H -4.714 4.277 1.053 1.00 . A A . 6 GLY H 1 1
9 2427 1 1 6 GLY HA2 H -3.709 6.213 2.300 1.00 . A A . 6 GLY HA2 1 1
9 2428 1 1 6 GLY HA3 H -3.487 5.070 3.621 1.00 . A A . 6 GLY HA3 1 1
9 2429 1 1 6 GLY N N -4.598 4.367 2.027 1.00 . A A . 6 GLY N 1 1
9 2430 1 1 6 GLY O O -2.140 4.223 0.863 1.00 . A A . 6 GLY O 1 1
9 2431 1 1 7 CYS C C 0.799 3.582 3.200 1.00 . A A . 7 CYS C 1 1
9 2432 1 1 7 CYS CA C 0.201 4.616 2.258 1.00 . A A . 7 CYS CA 1 1
9 2433 1 1 7 CYS CB C 1.105 5.846 2.177 1.00 . A A . 7 CYS CB 1 1
9 2434 1 1 7 CYS H H -1.229 5.425 3.584 1.00 . A A . 7 CYS H 1 1
9 2435 1 1 7 CYS HA H 0.107 4.182 1.274 1.00 . A A . 7 CYS HA 1 1
9 2436 1 1 7 CYS HB2 H 1.178 6.293 3.155 1.00 . A A . 7 CYS HB2 1 1
9 2437 1 1 7 CYS HB3 H 2.088 5.541 1.851 1.00 . A A . 7 CYS HB3 1 1
9 2438 1 1 7 CYS N N -1.125 4.991 2.710 1.00 . A A . 7 CYS N 1 1
9 2439 1 1 7 CYS O O 0.883 3.797 4.411 1.00 . A A . 7 CYS O 1 1
9 2440 1 1 7 CYS SG S 0.514 7.131 1.027 1.00 . A A . 7 CYS SG 1 1
9 2441 1 1 8 TYR C C 3.104 0.961 2.878 1.00 . A A . 8 TYR C 1 1
9 2442 1 1 8 TYR CA C 1.743 1.357 3.414 1.00 . A A . 8 TYR CA 1 1
9 2443 1 1 8 TYR CB C 0.801 0.160 3.374 1.00 . A A . 8 TYR CB 1 1
9 2444 1 1 8 TYR CD1 C 1.239 -0.892 1.131 1.00 . A A . 8 TYR CD1 1 1
9 2445 1 1 8 TYR CD2 C -0.915 0.037 1.512 1.00 . A A . 8 TYR CD2 1 1
9 2446 1 1 8 TYR CE1 C 0.864 -1.258 -0.141 1.00 . A A . 8 TYR CE1 1 1
9 2447 1 1 8 TYR CE2 C -1.303 -0.330 0.239 1.00 . A A . 8 TYR CE2 1 1
9 2448 1 1 8 TYR CG C 0.364 -0.240 1.981 1.00 . A A . 8 TYR CG 1 1
9 2449 1 1 8 TYR CZ C -0.469 -0.969 -0.568 1.00 . A A . 8 TYR CZ 1 1
9 2450 1 1 8 TYR H H 1.097 2.337 1.671 1.00 . A A . 8 TYR H 1 1
9 2451 1 1 8 TYR HA H 1.851 1.690 4.434 1.00 . A A . 8 TYR HA 1 1
9 2452 1 1 8 TYR HB2 H 1.301 -0.684 3.812 1.00 . A A . 8 TYR HB2 1 1
9 2453 1 1 8 TYR HB3 H -0.084 0.387 3.949 1.00 . A A . 8 TYR HB3 1 1
9 2454 1 1 8 TYR HD1 H 2.240 -1.108 1.476 1.00 . A A . 8 TYR HD1 1 1
9 2455 1 1 8 TYR HD2 H -1.613 0.545 2.161 1.00 . A A . 8 TYR HD2 1 1
9 2456 1 1 8 TYR HE1 H 1.573 -1.750 -0.788 1.00 . A A . 8 TYR HE1 1 1
9 2457 1 1 8 TYR HE2 H -2.299 -0.104 -0.109 1.00 . A A . 8 TYR HE2 1 1
9 2458 1 1 8 TYR HH H -1.220 -0.605 -2.290 1.00 . A A . 8 TYR HH 1 1
9 2459 1 1 8 TYR N N 1.191 2.450 2.640 1.00 . A A . 8 TYR N 1 1
9 2460 1 1 8 TYR O O 3.438 1.270 1.739 1.00 . A A . 8 TYR O 1 1
9 2461 1 1 8 TYR OH O -0.788 -1.350 -1.852 1.00 . A A . 8 TYR OH 1 1
9 2462 1 1 9 TRP C C 5.147 -1.577 2.735 1.00 . A A . 9 TRP C 1 1
9 2463 1 1 9 TRP CA C 5.202 -0.152 3.264 1.00 . A A . 9 TRP CA 1 1
9 2464 1 1 9 TRP CB C 6.219 -0.063 4.402 1.00 . A A . 9 TRP CB 1 1
9 2465 1 1 9 TRP CD1 C 8.167 -1.628 3.867 1.00 . A A . 9 TRP CD1 1 1
9 2466 1 1 9 TRP CD2 C 8.594 0.533 3.488 1.00 . A A . 9 TRP CD2 1 1
9 2467 1 1 9 TRP CE2 C 9.734 -0.214 3.147 1.00 . A A . 9 TRP CE2 1 1
9 2468 1 1 9 TRP CE3 C 8.628 1.920 3.335 1.00 . A A . 9 TRP CE3 1 1
9 2469 1 1 9 TRP CG C 7.605 -0.391 3.946 1.00 . A A . 9 TRP CG 1 1
9 2470 1 1 9 TRP CH2 C 10.892 1.742 2.519 1.00 . A A . 9 TRP CH2 1 1
9 2471 1 1 9 TRP CZ2 C 10.891 0.384 2.660 1.00 . A A . 9 TRP CZ2 1 1
9 2472 1 1 9 TRP CZ3 C 9.776 2.508 2.853 1.00 . A A . 9 TRP CZ3 1 1
9 2473 1 1 9 TRP H H 3.558 0.032 4.584 1.00 . A A . 9 TRP H 1 1
9 2474 1 1 9 TRP HA H 5.515 0.500 2.463 1.00 . A A . 9 TRP HA 1 1
9 2475 1 1 9 TRP HB2 H 6.224 0.938 4.800 1.00 . A A . 9 TRP HB2 1 1
9 2476 1 1 9 TRP HB3 H 5.947 -0.758 5.179 1.00 . A A . 9 TRP HB3 1 1
9 2477 1 1 9 TRP HD1 H 7.664 -2.542 4.143 1.00 . A A . 9 TRP HD1 1 1
9 2478 1 1 9 TRP HE1 H 10.057 -2.296 3.223 1.00 . A A . 9 TRP HE1 1 1
9 2479 1 1 9 TRP HE3 H 7.776 2.530 3.586 1.00 . A A . 9 TRP HE3 1 1
9 2480 1 1 9 TRP HH2 H 11.767 2.247 2.147 1.00 . A A . 9 TRP HH2 1 1
9 2481 1 1 9 TRP HZ2 H 11.760 -0.191 2.388 1.00 . A A . 9 TRP HZ2 1 1
9 2482 1 1 9 TRP HZ3 H 9.818 3.577 2.723 1.00 . A A . 9 TRP HZ3 1 1
9 2483 1 1 9 TRP N N 3.885 0.277 3.691 1.00 . A A . 9 TRP N 1 1
9 2484 1 1 9 TRP NE1 N 9.445 -1.534 3.382 1.00 . A A . 9 TRP NE1 1 1
9 2485 1 1 9 TRP O O 4.924 -2.525 3.492 1.00 . A A . 9 TRP O 1 1
9 2486 1 1 10 ASN C C 6.796 -3.290 0.238 1.00 . A A . 10 ASN C 1 1
9 2487 1 1 10 ASN CA C 5.405 -3.034 0.814 1.00 . A A . 10 ASN CA 1 1
9 2488 1 1 10 ASN CB C 4.348 -3.157 -0.289 1.00 . A A . 10 ASN CB 1 1
9 2489 1 1 10 ASN CG C 4.367 -4.511 -0.988 1.00 . A A . 10 ASN CG 1 1
9 2490 1 1 10 ASN H H 5.439 -0.921 0.878 1.00 . A A . 10 ASN H 1 1
9 2491 1 1 10 ASN HA H 5.203 -3.770 1.576 1.00 . A A . 10 ASN HA 1 1
9 2492 1 1 10 ASN HB2 H 3.370 -3.013 0.144 1.00 . A A . 10 ASN HB2 1 1
9 2493 1 1 10 ASN HB3 H 4.522 -2.390 -1.029 1.00 . A A . 10 ASN HB3 1 1
9 2494 1 1 10 ASN HD21 H 4.860 -5.446 0.700 1.00 . A A . 10 ASN HD21 1 1
9 2495 1 1 10 ASN HD22 H 4.675 -6.451 -0.693 1.00 . A A . 10 ASN HD22 1 1
9 2496 1 1 10 ASN N N 5.342 -1.721 1.436 1.00 . A A . 10 ASN N 1 1
9 2497 1 1 10 ASN ND2 N 4.665 -5.574 -0.254 1.00 . A A . 10 ASN ND2 1 1
9 2498 1 1 10 ASN O O 7.086 -2.942 -0.911 1.00 . A A . 10 ASN O 1 1
9 2499 1 1 10 ASN OD1 O 4.098 -4.600 -2.185 1.00 . A A . 10 ASN OD1 1 1
9 2500 1 1 11 GLY C C 10.035 -3.261 0.647 1.00 . A A . 11 GLY C 1 1
9 2501 1 1 11 GLY CA C 8.956 -4.321 0.586 1.00 . A A . 11 GLY CA 1 1
9 2502 1 1 11 GLY H H 7.417 -4.002 1.999 1.00 . A A . 11 GLY H 1 1
9 2503 1 1 11 GLY HA2 H 9.268 -5.151 1.198 1.00 . A A . 11 GLY HA2 1 1
9 2504 1 1 11 GLY HA3 H 8.858 -4.658 -0.434 1.00 . A A . 11 GLY HA3 1 1
9 2505 1 1 11 GLY N N 7.661 -3.873 1.057 1.00 . A A . 11 GLY N 1 1
9 2506 1 1 11 GLY O O 10.755 -3.161 1.641 1.00 . A A . 11 GLY O 1 1
9 2507 1 1 12 SER C C 10.765 -0.084 -0.562 1.00 . A A . 12 SER C 1 1
9 2508 1 1 12 SER CA C 11.259 -1.527 -0.497 1.00 . A A . 12 SER CA 1 1
9 2509 1 1 12 SER CB C 12.118 -1.843 -1.717 1.00 . A A . 12 SER CB 1 1
9 2510 1 1 12 SER H H 9.538 -2.552 -1.156 1.00 . A A . 12 SER H 1 1
9 2511 1 1 12 SER HA H 11.864 -1.643 0.387 1.00 . A A . 12 SER HA 1 1
9 2512 1 1 12 SER HB2 H 11.534 -1.703 -2.613 1.00 . A A . 12 SER HB2 1 1
9 2513 1 1 12 SER HB3 H 12.964 -1.183 -1.734 1.00 . A A . 12 SER HB3 1 1
9 2514 1 1 12 SER HG H 11.847 -3.779 -1.877 1.00 . A A . 12 SER HG 1 1
9 2515 1 1 12 SER N N 10.171 -2.480 -0.413 1.00 . A A . 12 SER N 1 1
9 2516 1 1 12 SER O O 11.567 0.847 -0.505 1.00 . A A . 12 SER O 1 1
9 2517 1 1 12 SER OG O 12.581 -3.184 -1.678 1.00 . A A . 12 SER OG 1 1
9 2518 1 1 13 LYS C C 7.534 1.571 -0.135 1.00 . A A . 13 LYS C 1 1
9 2519 1 1 13 LYS CA C 8.905 1.457 -0.778 1.00 . A A . 13 LYS CA 1 1
9 2520 1 1 13 LYS CB C 8.790 1.877 -2.240 1.00 . A A . 13 LYS CB 1 1
9 2521 1 1 13 LYS CD C 9.947 2.596 -4.334 1.00 . A A . 13 LYS CD 1 1
9 2522 1 1 13 LYS CE C 9.038 3.791 -4.587 1.00 . A A . 13 LYS CE 1 1
9 2523 1 1 13 LYS CG C 10.107 2.300 -2.862 1.00 . A A . 13 LYS CG 1 1
9 2524 1 1 13 LYS H H 8.849 -0.660 -0.670 1.00 . A A . 13 LYS H 1 1
9 2525 1 1 13 LYS HA H 9.584 2.126 -0.279 1.00 . A A . 13 LYS HA 1 1
9 2526 1 1 13 LYS HB2 H 8.402 1.045 -2.808 1.00 . A A . 13 LYS HB2 1 1
9 2527 1 1 13 LYS HB3 H 8.095 2.704 -2.311 1.00 . A A . 13 LYS HB3 1 1
9 2528 1 1 13 LYS HD2 H 10.917 2.795 -4.761 1.00 . A A . 13 LYS HD2 1 1
9 2529 1 1 13 LYS HD3 H 9.521 1.726 -4.794 1.00 . A A . 13 LYS HD3 1 1
9 2530 1 1 13 LYS HE2 H 8.927 3.922 -5.653 1.00 . A A . 13 LYS HE2 1 1
9 2531 1 1 13 LYS HE3 H 8.072 3.592 -4.147 1.00 . A A . 13 LYS HE3 1 1
9 2532 1 1 13 LYS HG2 H 10.465 3.184 -2.361 1.00 . A A . 13 LYS HG2 1 1
9 2533 1 1 13 LYS HG3 H 10.820 1.500 -2.746 1.00 . A A . 13 LYS HG3 1 1
9 2534 1 1 13 LYS HZ1 H 9.693 4.943 -2.972 1.00 . A A . 13 LYS HZ1 1 1
9 2535 1 1 13 LYS HZ2 H 8.953 5.841 -4.197 1.00 . A A . 13 LYS HZ2 1 1
9 2536 1 1 13 LYS HZ3 H 10.522 5.250 -4.413 1.00 . A A . 13 LYS HZ3 1 1
9 2537 1 1 13 LYS N N 9.456 0.110 -0.669 1.00 . A A . 13 LYS N 1 1
9 2538 1 1 13 LYS NZ N 9.590 5.042 -4.001 1.00 . A A . 13 LYS NZ 1 1
9 2539 1 1 13 LYS O O 6.897 0.570 0.203 1.00 . A A . 13 LYS O 1 1
9 2540 1 1 14 ASP C C 4.825 3.101 -0.730 1.00 . A A . 14 ASP C 1 1
9 2541 1 1 14 ASP CA C 5.748 3.108 0.477 1.00 . A A . 14 ASP CA 1 1
9 2542 1 1 14 ASP CB C 5.671 4.482 1.157 1.00 . A A . 14 ASP CB 1 1
9 2543 1 1 14 ASP CG C 6.600 4.627 2.347 1.00 . A A . 14 ASP CG 1 1
9 2544 1 1 14 ASP H H 7.706 3.557 -0.157 1.00 . A A . 14 ASP H 1 1
9 2545 1 1 14 ASP HA H 5.438 2.341 1.170 1.00 . A A . 14 ASP HA 1 1
9 2546 1 1 14 ASP HB2 H 5.929 5.242 0.438 1.00 . A A . 14 ASP HB2 1 1
9 2547 1 1 14 ASP HB3 H 4.659 4.647 1.496 1.00 . A A . 14 ASP HB3 1 1
9 2548 1 1 14 ASP N N 7.098 2.813 0.033 1.00 . A A . 14 ASP N 1 1
9 2549 1 1 14 ASP O O 5.066 3.812 -1.708 1.00 . A A . 14 ASP O 1 1
9 2550 1 1 14 ASP OD1 O 7.764 5.043 2.145 1.00 . A A . 14 ASP OD1 1 1
9 2551 1 1 14 ASP OD2 O 6.167 4.354 3.489 1.00 . A A . 14 ASP OD2 1 1
9 2552 1 1 15 VAL C C 1.467 2.587 -1.278 1.00 . A A . 15 VAL C 1 1
9 2553 1 1 15 VAL CA C 2.846 2.173 -1.757 1.00 . A A . 15 VAL CA 1 1
9 2554 1 1 15 VAL CB C 2.797 0.731 -2.307 1.00 . A A . 15 VAL CB 1 1
9 2555 1 1 15 VAL CG1 C 1.865 0.639 -3.506 1.00 . A A . 15 VAL CG1 1 1
9 2556 1 1 15 VAL CG2 C 4.193 0.249 -2.673 1.00 . A A . 15 VAL CG2 1 1
9 2557 1 1 15 VAL H H 3.620 1.794 0.156 1.00 . A A . 15 VAL H 1 1
9 2558 1 1 15 VAL HA H 3.159 2.836 -2.550 1.00 . A A . 15 VAL HA 1 1
9 2559 1 1 15 VAL HB H 2.410 0.086 -1.530 1.00 . A A . 15 VAL HB 1 1
9 2560 1 1 15 VAL HG11 H 1.841 -0.378 -3.867 1.00 . A A . 15 VAL HG11 1 1
9 2561 1 1 15 VAL HG12 H 2.222 1.291 -4.290 1.00 . A A . 15 VAL HG12 1 1
9 2562 1 1 15 VAL HG13 H 0.869 0.941 -3.214 1.00 . A A . 15 VAL HG13 1 1
9 2563 1 1 15 VAL HG21 H 4.135 -0.749 -3.080 1.00 . A A . 15 VAL HG21 1 1
9 2564 1 1 15 VAL HG22 H 4.816 0.242 -1.790 1.00 . A A . 15 VAL HG22 1 1
9 2565 1 1 15 VAL HG23 H 4.622 0.915 -3.410 1.00 . A A . 15 VAL HG23 1 1
9 2566 1 1 15 VAL N N 3.783 2.300 -0.666 1.00 . A A . 15 VAL N 1 1
9 2567 1 1 15 VAL O O 0.888 1.965 -0.389 1.00 . A A . 15 VAL O 1 1
9 2568 1 1 16 CYS C C -1.399 3.629 -2.430 1.00 . A A . 16 CYS C 1 1
9 2569 1 1 16 CYS CA C -0.342 4.167 -1.476 1.00 . A A . 16 CYS CA 1 1
9 2570 1 1 16 CYS CB C -0.360 5.691 -1.501 1.00 . A A . 16 CYS CB 1 1
9 2571 1 1 16 CYS H H 1.526 4.159 -2.473 1.00 . A A . 16 CYS H 1 1
9 2572 1 1 16 CYS HA H -0.570 3.829 -0.477 1.00 . A A . 16 CYS HA 1 1
9 2573 1 1 16 CYS HB2 H -0.453 6.019 -2.518 1.00 . A A . 16 CYS HB2 1 1
9 2574 1 1 16 CYS HB3 H -1.213 6.040 -0.938 1.00 . A A . 16 CYS HB3 1 1
9 2575 1 1 16 CYS N N 0.978 3.669 -1.826 1.00 . A A . 16 CYS N 1 1
9 2576 1 1 16 CYS O O -1.125 3.402 -3.611 1.00 . A A . 16 CYS O 1 1
9 2577 1 1 16 CYS SG S 1.128 6.471 -0.791 1.00 . A A . 16 CYS SG 1 1
9 2578 1 1 17 SER C C -4.987 2.900 -1.810 1.00 . A A . 17 SER C 1 1
9 2579 1 1 17 SER CA C -3.735 2.946 -2.681 1.00 . A A . 17 SER CA 1 1
9 2580 1 1 17 SER CB C -3.437 1.560 -3.257 1.00 . A A . 17 SER CB 1 1
9 2581 1 1 17 SER H H -2.743 3.667 -0.958 1.00 . A A . 17 SER H 1 1
9 2582 1 1 17 SER HA H -3.903 3.636 -3.494 1.00 . A A . 17 SER HA 1 1
9 2583 1 1 17 SER HB2 H -4.319 1.184 -3.754 1.00 . A A . 17 SER HB2 1 1
9 2584 1 1 17 SER HB3 H -2.629 1.635 -3.969 1.00 . A A . 17 SER HB3 1 1
9 2585 1 1 17 SER HG H -2.420 1.058 -1.660 1.00 . A A . 17 SER HG 1 1
9 2586 1 1 17 SER N N -2.603 3.443 -1.905 1.00 . A A . 17 SER N 1 1
9 2587 1 1 17 SER O O -4.950 3.284 -0.638 1.00 . A A . 17 SER O 1 1
9 2588 1 1 17 SER OG O -3.067 0.645 -2.242 1.00 . A A . 17 SER OG 1 1
9 2589 1 1 18 GLN C C -7.980 1.028 -1.665 1.00 . A A . 18 GLN C 1 1
9 2590 1 1 18 GLN CA C -7.368 2.428 -1.680 1.00 . A A . 18 GLN CA 1 1
9 2591 1 1 18 GLN CB C -8.358 3.399 -2.339 1.00 . A A . 18 GLN CB 1 1
9 2592 1 1 18 GLN CD C -6.842 5.187 -3.321 1.00 . A A . 18 GLN CD 1 1
9 2593 1 1 18 GLN CG C -7.933 4.854 -2.322 1.00 . A A . 18 GLN CG 1 1
9 2594 1 1 18 GLN H H -6.060 2.107 -3.302 1.00 . A A . 18 GLN H 1 1
9 2595 1 1 18 GLN HA H -7.191 2.744 -0.665 1.00 . A A . 18 GLN HA 1 1
9 2596 1 1 18 GLN HB2 H -8.507 3.104 -3.364 1.00 . A A . 18 GLN HB2 1 1
9 2597 1 1 18 GLN HB3 H -9.292 3.331 -1.816 1.00 . A A . 18 GLN HB3 1 1
9 2598 1 1 18 GLN HE21 H -6.132 6.590 -2.110 1.00 . A A . 18 GLN HE21 1 1
9 2599 1 1 18 GLN HE22 H -5.288 6.387 -3.604 1.00 . A A . 18 GLN HE22 1 1
9 2600 1 1 18 GLN HG2 H -8.794 5.467 -2.543 1.00 . A A . 18 GLN HG2 1 1
9 2601 1 1 18 GLN HG3 H -7.583 5.080 -1.334 1.00 . A A . 18 GLN HG3 1 1
9 2602 1 1 18 GLN N N -6.096 2.441 -2.383 1.00 . A A . 18 GLN N 1 1
9 2603 1 1 18 GLN NE2 N -6.004 6.150 -2.978 1.00 . A A . 18 GLN NE2 1 1
9 2604 1 1 18 GLN O O -8.878 0.731 -2.450 1.00 . A A . 18 GLN O 1 1
9 2605 1 1 18 GLN OE1 O -6.747 4.579 -4.389 1.00 . A A . 18 GLN OE1 1 1
9 2606 1 1 19 SER C C -9.451 -1.075 0.009 1.00 . A A . 19 SER C 1 1
9 2607 1 1 19 SER CA C -8.076 -1.169 -0.638 1.00 . A A . 19 SER CA 1 1
9 2608 1 1 19 SER CB C -7.218 -2.047 0.253 1.00 . A A . 19 SER CB 1 1
9 2609 1 1 19 SER H H -6.743 0.428 -0.201 1.00 . A A . 19 SER H 1 1
9 2610 1 1 19 SER HA H -8.140 -1.617 -1.618 1.00 . A A . 19 SER HA 1 1
9 2611 1 1 19 SER HB2 H -6.176 -1.886 0.027 1.00 . A A . 19 SER HB2 1 1
9 2612 1 1 19 SER HB3 H -7.403 -1.782 1.274 1.00 . A A . 19 SER HB3 1 1
9 2613 1 1 19 SER HG H -8.471 -3.558 0.219 1.00 . A A . 19 SER HG 1 1
9 2614 1 1 19 SER N N -7.503 0.166 -0.774 1.00 . A A . 19 SER N 1 1
9 2615 1 1 19 SER O O -10.446 -1.578 -0.511 1.00 . A A . 19 SER O 1 1
9 2616 1 1 19 SER OG O -7.524 -3.422 0.086 1.00 . A A . 19 SER OG 1 1
9 2617 1 1 20 CYS C C -11.651 0.691 1.597 1.00 . A A . 20 CYS C 1 1
9 2618 1 1 20 CYS CA C -10.639 -0.366 2.028 1.00 . A A . 20 CYS CA 1 1
9 2619 1 1 20 CYS CB C -10.186 -0.117 3.471 1.00 . A A . 20 CYS CB 1 1
9 2620 1 1 20 CYS H H -8.687 0.123 1.405 1.00 . A A . 20 CYS H 1 1
9 2621 1 1 20 CYS HA H -11.102 -1.330 1.978 1.00 . A A . 20 CYS HA 1 1
9 2622 1 1 20 CYS HB2 H -9.676 0.833 3.521 1.00 . A A . 20 CYS HB2 1 1
9 2623 1 1 20 CYS HB3 H -11.052 -0.091 4.116 1.00 . A A . 20 CYS HB3 1 1
9 2624 1 1 20 CYS N N -9.478 -0.393 1.148 1.00 . A A . 20 CYS N 1 1
9 2625 1 1 20 CYS O O -12.575 1.023 2.339 1.00 . A A . 20 CYS O 1 1
9 2626 1 1 20 CYS SG S -9.048 -1.395 4.113 1.00 . A A . 20 CYS SG 1 1
9 2627 1 1 21 CYS C C -12.281 2.288 -1.645 1.00 . A A . 21 CYS C 1 1
9 2628 1 1 21 CYS CA C -12.340 2.257 -0.120 1.00 . A A . 21 CYS CA 1 1
9 2629 1 1 21 CYS CB C -11.961 3.619 0.487 1.00 . A A . 21 CYS CB 1 1
9 2630 1 1 21 CYS H H -10.735 0.895 -0.163 1.00 . A A . 21 CYS H 1 1
9 2631 1 1 21 CYS HA H -13.349 2.013 0.178 1.00 . A A . 21 CYS HA 1 1
9 2632 1 1 21 CYS HB2 H -12.512 4.393 -0.023 1.00 . A A . 21 CYS HB2 1 1
9 2633 1 1 21 CYS HB3 H -12.234 3.624 1.532 1.00 . A A . 21 CYS HB3 1 1
9 2634 1 1 21 CYS N N -11.472 1.216 0.395 1.00 . A A . 21 CYS N 1 1
9 2635 1 1 21 CYS O O -11.653 3.200 -2.213 1.00 . A A . 21 CYS O 1 1
9 2636 1 1 21 CYS OXT O -12.854 1.370 -2.274 1.00 . A A . 21 CYS OXT 1 1
9 2637 1 1 21 CYS SG S -10.187 4.052 0.377 1.00 . A A . 21 CYS SG 1 1
10 2638 1 1 1 THR C C -1.157 -4.959 -0.443 1.00 . A A . 1 THR C 1 1
10 2639 1 1 1 THR CA C -0.090 -6.050 -0.536 1.00 . A A . 1 THR CA 1 1
10 2640 1 1 1 THR CB C -0.197 -6.775 -1.894 1.00 . A A . 1 THR CB 1 1
10 2641 1 1 1 THR CG2 C 0.044 -5.819 -3.052 1.00 . A A . 1 THR CG2 1 1
10 2642 1 1 1 THR H1 H 0.471 -7.778 0.471 1.00 . A A . 1 THR H1 1 1
10 2643 1 1 1 THR H2 H -1.179 -7.423 0.587 1.00 . A A . 1 THR H2 1 1
10 2644 1 1 1 THR H3 H -0.057 -6.534 1.486 1.00 . A A . 1 THR H3 1 1
10 2645 1 1 1 THR HA H 0.886 -5.589 -0.472 1.00 . A A . 1 THR HA 1 1
10 2646 1 1 1 THR HB H -1.191 -7.184 -1.988 1.00 . A A . 1 THR HB 1 1
10 2647 1 1 1 THR HG1 H 1.545 -7.551 -2.424 1.00 . A A . 1 THR HG1 1 1
10 2648 1 1 1 THR HG21 H -0.036 -6.355 -3.986 1.00 . A A . 1 THR HG21 1 1
10 2649 1 1 1 THR HG22 H 1.031 -5.390 -2.967 1.00 . A A . 1 THR HG22 1 1
10 2650 1 1 1 THR HG23 H -0.692 -5.031 -3.025 1.00 . A A . 1 THR HG23 1 1
10 2651 1 1 1 THR N N -0.223 -7.012 0.578 1.00 . A A . 1 THR N 1 1
10 2652 1 1 1 THR O O -0.842 -3.798 -0.218 1.00 . A A . 1 THR O 1 1
10 2653 1 1 1 THR OG1 O 0.756 -7.846 -1.946 1.00 . A A . 1 THR OG1 1 1
10 2654 1 1 2 ARG C C -3.932 -3.966 0.843 1.00 . A A . 2 ARG C 1 1
10 2655 1 1 2 ARG CA C -3.561 -4.452 -0.570 1.00 . A A . 2 ARG CA 1 1
10 2656 1 1 2 ARG CB C -4.748 -5.153 -1.225 1.00 . A A . 2 ARG CB 1 1
10 2657 1 1 2 ARG CD C -6.428 -4.681 -2.984 1.00 . A A . 2 ARG CD 1 1
10 2658 1 1 2 ARG CG C -5.824 -4.208 -1.700 1.00 . A A . 2 ARG CG 1 1
10 2659 1 1 2 ARG CZ C -8.441 -6.063 -3.378 1.00 . A A . 2 ARG CZ 1 1
10 2660 1 1 2 ARG H H -2.599 -6.302 -0.767 1.00 . A A . 2 ARG H 1 1
10 2661 1 1 2 ARG HA H -3.303 -3.592 -1.165 1.00 . A A . 2 ARG HA 1 1
10 2662 1 1 2 ARG HB2 H -4.397 -5.722 -2.073 1.00 . A A . 2 ARG HB2 1 1
10 2663 1 1 2 ARG HB3 H -5.189 -5.824 -0.511 1.00 . A A . 2 ARG HB3 1 1
10 2664 1 1 2 ARG HD2 H -7.029 -3.889 -3.406 1.00 . A A . 2 ARG HD2 1 1
10 2665 1 1 2 ARG HD3 H -5.617 -4.911 -3.638 1.00 . A A . 2 ARG HD3 1 1
10 2666 1 1 2 ARG HE H -6.899 -6.581 -2.210 1.00 . A A . 2 ARG HE 1 1
10 2667 1 1 2 ARG HG2 H -6.595 -4.152 -0.960 1.00 . A A . 2 ARG HG2 1 1
10 2668 1 1 2 ARG HG3 H -5.391 -3.236 -1.850 1.00 . A A . 2 ARG HG3 1 1
10 2669 1 1 2 ARG HH11 H -8.458 -4.286 -4.353 1.00 . A A . 2 ARG HH11 1 1
10 2670 1 1 2 ARG HH12 H -9.855 -5.278 -4.602 1.00 . A A . 2 ARG HH12 1 1
10 2671 1 1 2 ARG HH21 H -8.724 -7.894 -2.556 1.00 . A A . 2 ARG HH21 1 1
10 2672 1 1 2 ARG HH22 H -10.010 -7.332 -3.580 1.00 . A A . 2 ARG HH22 1 1
10 2673 1 1 2 ARG N N -2.418 -5.356 -0.589 1.00 . A A . 2 ARG N 1 1
10 2674 1 1 2 ARG NE N -7.253 -5.876 -2.801 1.00 . A A . 2 ARG NE 1 1
10 2675 1 1 2 ARG NH1 N -8.958 -5.134 -4.175 1.00 . A A . 2 ARG NH1 1 1
10 2676 1 1 2 ARG NH2 N -9.111 -7.185 -3.154 1.00 . A A . 2 ARG NH2 1 1
10 2677 1 1 2 ARG O O -5.111 -3.805 1.141 1.00 . A A . 2 ARG O 1 1
10 2678 1 1 3 ILE C C -3.957 -2.092 3.218 1.00 . A A . 3 ILE C 1 1
10 2679 1 1 3 ILE CA C -3.233 -3.435 3.123 1.00 . A A . 3 ILE CA 1 1
10 2680 1 1 3 ILE CB C -1.940 -3.353 3.960 1.00 . A A . 3 ILE CB 1 1
10 2681 1 1 3 ILE CD1 C 0.607 -3.386 3.772 1.00 . A A . 3 ILE CD1 1 1
10 2682 1 1 3 ILE CG1 C -0.724 -3.585 3.073 1.00 . A A . 3 ILE CG1 1 1
10 2683 1 1 3 ILE CG2 C -1.974 -4.356 5.092 1.00 . A A . 3 ILE CG2 1 1
10 2684 1 1 3 ILE H H -2.027 -3.932 1.446 1.00 . A A . 3 ILE H 1 1
10 2685 1 1 3 ILE HA H -3.859 -4.188 3.547 1.00 . A A . 3 ILE HA 1 1
10 2686 1 1 3 ILE HB H -1.879 -2.366 4.385 1.00 . A A . 3 ILE HB 1 1
10 2687 1 1 3 ILE HD11 H 1.410 -3.466 3.052 1.00 . A A . 3 ILE HD11 1 1
10 2688 1 1 3 ILE HD12 H 0.731 -4.140 4.534 1.00 . A A . 3 ILE HD12 1 1
10 2689 1 1 3 ILE HD13 H 0.631 -2.407 4.229 1.00 . A A . 3 ILE HD13 1 1
10 2690 1 1 3 ILE HG12 H -0.754 -4.594 2.696 1.00 . A A . 3 ILE HG12 1 1
10 2691 1 1 3 ILE HG13 H -0.776 -2.899 2.251 1.00 . A A . 3 ILE HG13 1 1
10 2692 1 1 3 ILE HG21 H -2.092 -5.347 4.686 1.00 . A A . 3 ILE HG21 1 1
10 2693 1 1 3 ILE HG22 H -2.800 -4.132 5.747 1.00 . A A . 3 ILE HG22 1 1
10 2694 1 1 3 ILE HG23 H -1.049 -4.301 5.642 1.00 . A A . 3 ILE HG23 1 1
10 2695 1 1 3 ILE N N -2.950 -3.814 1.732 1.00 . A A . 3 ILE N 1 1
10 2696 1 1 3 ILE O O -3.351 -1.046 3.419 1.00 . A A . 3 ILE O 1 1
10 2697 1 1 4 CYS C C -5.767 0.184 2.495 1.00 . A A . 4 CYS C 1 1
10 2698 1 1 4 CYS CA C -6.221 -1.080 3.244 1.00 . A A . 4 CYS CA 1 1
10 2699 1 1 4 CYS CB C -6.670 -0.747 4.656 1.00 . A A . 4 CYS CB 1 1
10 2700 1 1 4 CYS H H -5.630 -3.112 3.224 1.00 . A A . 4 CYS H 1 1
10 2701 1 1 4 CYS HA H -7.093 -1.444 2.719 1.00 . A A . 4 CYS HA 1 1
10 2702 1 1 4 CYS HB2 H -5.817 -0.735 5.318 1.00 . A A . 4 CYS HB2 1 1
10 2703 1 1 4 CYS HB3 H -7.148 0.223 4.649 1.00 . A A . 4 CYS HB3 1 1
10 2704 1 1 4 CYS N N -5.270 -2.202 3.237 1.00 . A A . 4 CYS N 1 1
10 2705 1 1 4 CYS O O -4.833 0.174 1.696 1.00 . A A . 4 CYS O 1 1
10 2706 1 1 4 CYS SG S -7.875 -1.951 5.291 1.00 . A A . 4 CYS SG 1 1
10 2707 1 1 5 CYS C C -5.545 3.521 2.642 1.00 . A A . 5 CYS C 1 1
10 2708 1 1 5 CYS CA C -6.352 2.456 1.917 1.00 . A A . 5 CYS CA 1 1
10 2709 1 1 5 CYS CB C -7.748 2.940 1.556 1.00 . A A . 5 CYS CB 1 1
10 2710 1 1 5 CYS H H -7.149 1.272 3.436 1.00 . A A . 5 CYS H 1 1
10 2711 1 1 5 CYS HA H -5.834 2.187 1.009 1.00 . A A . 5 CYS HA 1 1
10 2712 1 1 5 CYS HB2 H -7.688 3.882 1.035 1.00 . A A . 5 CYS HB2 1 1
10 2713 1 1 5 CYS HB3 H -8.193 2.199 0.915 1.00 . A A . 5 CYS HB3 1 1
10 2714 1 1 5 CYS N N -6.496 1.266 2.714 1.00 . A A . 5 CYS N 1 1
10 2715 1 1 5 CYS O O -5.699 3.734 3.845 1.00 . A A . 5 CYS O 1 1
10 2716 1 1 5 CYS SG S -8.867 3.143 2.977 1.00 . A A . 5 CYS SG 1 1
10 2717 1 1 6 GLY C C -2.353 4.850 1.972 1.00 . A A . 6 GLY C 1 1
10 2718 1 1 6 GLY CA C -3.749 5.117 2.473 1.00 . A A . 6 GLY CA 1 1
10 2719 1 1 6 GLY H H -4.638 3.992 0.931 1.00 . A A . 6 GLY H 1 1
10 2720 1 1 6 GLY HA2 H -4.047 6.118 2.197 1.00 . A A . 6 GLY HA2 1 1
10 2721 1 1 6 GLY HA3 H -3.764 5.022 3.549 1.00 . A A . 6 GLY HA3 1 1
10 2722 1 1 6 GLY N N -4.671 4.169 1.898 1.00 . A A . 6 GLY N 1 1
10 2723 1 1 6 GLY O O -2.179 4.455 0.822 1.00 . A A . 6 GLY O 1 1
10 2724 1 1 7 CYS C C 0.607 3.685 3.341 1.00 . A A . 7 CYS C 1 1
10 2725 1 1 7 CYS CA C 0.014 4.766 2.445 1.00 . A A . 7 CYS CA 1 1
10 2726 1 1 7 CYS CB C 0.847 6.045 2.535 1.00 . A A . 7 CYS CB 1 1
10 2727 1 1 7 CYS H H -1.559 5.357 3.727 1.00 . A A . 7 CYS H 1 1
10 2728 1 1 7 CYS HA H 0.018 4.417 1.424 1.00 . A A . 7 CYS HA 1 1
10 2729 1 1 7 CYS HB2 H 0.830 6.406 3.553 1.00 . A A . 7 CYS HB2 1 1
10 2730 1 1 7 CYS HB3 H 1.866 5.823 2.254 1.00 . A A . 7 CYS HB3 1 1
10 2731 1 1 7 CYS N N -1.363 5.035 2.821 1.00 . A A . 7 CYS N 1 1
10 2732 1 1 7 CYS O O 0.592 3.805 4.569 1.00 . A A . 7 CYS O 1 1
10 2733 1 1 7 CYS SG S 0.254 7.395 1.461 1.00 . A A . 7 CYS SG 1 1
10 2734 1 1 8 TYR C C 3.105 1.230 2.884 1.00 . A A . 8 TYR C 1 1
10 2735 1 1 8 TYR CA C 1.738 1.546 3.468 1.00 . A A . 8 TYR CA 1 1
10 2736 1 1 8 TYR CB C 0.866 0.282 3.469 1.00 . A A . 8 TYR CB 1 1
10 2737 1 1 8 TYR CD1 C 1.105 -0.259 1.019 1.00 . A A . 8 TYR CD1 1 1
10 2738 1 1 8 TYR CD2 C -1.075 -0.326 1.957 1.00 . A A . 8 TYR CD2 1 1
10 2739 1 1 8 TYR CE1 C 0.595 -0.609 -0.212 1.00 . A A . 8 TYR CE1 1 1
10 2740 1 1 8 TYR CE2 C -1.598 -0.680 0.727 1.00 . A A . 8 TYR CE2 1 1
10 2741 1 1 8 TYR CG C 0.285 -0.117 2.125 1.00 . A A . 8 TYR CG 1 1
10 2742 1 1 8 TYR CZ C -0.804 -0.873 -0.317 1.00 . A A . 8 TYR CZ 1 1
10 2743 1 1 8 TYR H H 1.038 2.546 1.753 1.00 . A A . 8 TYR H 1 1
10 2744 1 1 8 TYR HA H 1.867 1.881 4.487 1.00 . A A . 8 TYR HA 1 1
10 2745 1 1 8 TYR HB2 H 1.467 -0.538 3.805 1.00 . A A . 8 TYR HB2 1 1
10 2746 1 1 8 TYR HB3 H 0.045 0.424 4.156 1.00 . A A . 8 TYR HB3 1 1
10 2747 1 1 8 TYR HD1 H 2.168 -0.081 1.126 1.00 . A A . 8 TYR HD1 1 1
10 2748 1 1 8 TYR HD2 H -1.729 -0.214 2.809 1.00 . A A . 8 TYR HD2 1 1
10 2749 1 1 8 TYR HE1 H 1.259 -0.710 -1.060 1.00 . A A . 8 TYR HE1 1 1
10 2750 1 1 8 TYR HE2 H -2.660 -0.839 0.616 1.00 . A A . 8 TYR HE2 1 1
10 2751 1 1 8 TYR HH H -2.021 -0.605 -1.783 1.00 . A A . 8 TYR HH 1 1
10 2752 1 1 8 TYR N N 1.103 2.618 2.729 1.00 . A A . 8 TYR N 1 1
10 2753 1 1 8 TYR O O 3.381 1.538 1.726 1.00 . A A . 8 TYR O 1 1
10 2754 1 1 8 TYR OH O -1.267 -1.171 -1.580 1.00 . A A . 8 TYR OH 1 1
10 2755 1 1 9 TRP C C 5.134 -1.192 2.584 1.00 . A A . 9 TRP C 1 1
10 2756 1 1 9 TRP CA C 5.255 0.191 3.201 1.00 . A A . 9 TRP CA 1 1
10 2757 1 1 9 TRP CB C 6.300 0.178 4.319 1.00 . A A . 9 TRP CB 1 1
10 2758 1 1 9 TRP CD1 C 8.185 -1.480 3.819 1.00 . A A . 9 TRP CD1 1 1
10 2759 1 1 9 TRP CD2 C 8.650 0.636 3.258 1.00 . A A . 9 TRP CD2 1 1
10 2760 1 1 9 TRP CE2 C 9.751 -0.170 2.923 1.00 . A A . 9 TRP CE2 1 1
10 2761 1 1 9 TRP CE3 C 8.716 2.008 2.999 1.00 . A A . 9 TRP CE3 1 1
10 2762 1 1 9 TRP CG C 7.656 -0.223 3.828 1.00 . A A . 9 TRP CG 1 1
10 2763 1 1 9 TRP CH2 C 10.936 1.696 2.096 1.00 . A A . 9 TRP CH2 1 1
10 2764 1 1 9 TRP CZ2 C 10.902 0.350 2.339 1.00 . A A . 9 TRP CZ2 1 1
10 2765 1 1 9 TRP CZ3 C 9.858 2.522 2.420 1.00 . A A . 9 TRP CZ3 1 1
10 2766 1 1 9 TRP H H 3.712 0.448 4.619 1.00 . A A . 9 TRP H 1 1
10 2767 1 1 9 TRP HA H 5.567 0.886 2.435 1.00 . A A . 9 TRP HA 1 1
10 2768 1 1 9 TRP HB2 H 6.375 1.164 4.750 1.00 . A A . 9 TRP HB2 1 1
10 2769 1 1 9 TRP HB3 H 5.998 -0.525 5.081 1.00 . A A . 9 TRP HB3 1 1
10 2770 1 1 9 TRP HD1 H 7.672 -2.355 4.186 1.00 . A A . 9 TRP HD1 1 1
10 2771 1 1 9 TRP HE1 H 10.021 -2.246 3.141 1.00 . A A . 9 TRP HE1 1 1
10 2772 1 1 9 TRP HE3 H 7.896 2.664 3.241 1.00 . A A . 9 TRP HE3 1 1
10 2773 1 1 9 TRP HH2 H 11.807 2.142 1.644 1.00 . A A . 9 TRP HH2 1 1
10 2774 1 1 9 TRP HZ2 H 11.743 -0.273 2.079 1.00 . A A . 9 TRP HZ2 1 1
10 2775 1 1 9 TRP HZ3 H 9.925 3.577 2.205 1.00 . A A . 9 TRP HZ3 1 1
10 2776 1 1 9 TRP N N 3.961 0.621 3.685 1.00 . A A . 9 TRP N 1 1
10 2777 1 1 9 TRP NE1 N 9.440 -1.458 3.270 1.00 . A A . 9 TRP NE1 1 1
10 2778 1 1 9 TRP O O 5.092 -2.201 3.291 1.00 . A A . 9 TRP O 1 1
10 2779 1 1 10 ASN C C 6.387 -2.970 0.187 1.00 . A A . 10 ASN C 1 1
10 2780 1 1 10 ASN CA C 4.986 -2.500 0.563 1.00 . A A . 10 ASN CA 1 1
10 2781 1 1 10 ASN CB C 4.118 -2.363 -0.694 1.00 . A A . 10 ASN CB 1 1
10 2782 1 1 10 ASN CG C 3.839 -3.695 -1.372 1.00 . A A . 10 ASN CG 1 1
10 2783 1 1 10 ASN H H 5.051 -0.401 0.758 1.00 . A A . 10 ASN H 1 1
10 2784 1 1 10 ASN HA H 4.538 -3.226 1.223 1.00 . A A . 10 ASN HA 1 1
10 2785 1 1 10 ASN HB2 H 3.174 -1.916 -0.422 1.00 . A A . 10 ASN HB2 1 1
10 2786 1 1 10 ASN HB3 H 4.623 -1.720 -1.401 1.00 . A A . 10 ASN HB3 1 1
10 2787 1 1 10 ASN HD21 H 2.138 -2.990 -2.122 1.00 . A A . 10 ASN HD21 1 1
10 2788 1 1 10 ASN HD22 H 2.528 -4.627 -2.526 1.00 . A A . 10 ASN HD22 1 1
10 2789 1 1 10 ASN N N 5.058 -1.238 1.267 1.00 . A A . 10 ASN N 1 1
10 2790 1 1 10 ASN ND2 N 2.722 -3.779 -2.074 1.00 . A A . 10 ASN ND2 1 1
10 2791 1 1 10 ASN O O 6.885 -2.665 -0.897 1.00 . A A . 10 ASN O 1 1
10 2792 1 1 10 ASN OD1 O 4.620 -4.640 -1.275 1.00 . A A . 10 ASN OD1 1 1
10 2793 1 1 11 GLY C C 9.458 -3.450 0.616 1.00 . A A . 11 GLY C 1 1
10 2794 1 1 11 GLY CA C 8.275 -4.377 0.824 1.00 . A A . 11 GLY CA 1 1
10 2795 1 1 11 GLY H H 6.609 -3.796 1.991 1.00 . A A . 11 GLY H 1 1
10 2796 1 1 11 GLY HA2 H 8.501 -5.031 1.651 1.00 . A A . 11 GLY HA2 1 1
10 2797 1 1 11 GLY HA3 H 8.155 -4.977 -0.059 1.00 . A A . 11 GLY HA3 1 1
10 2798 1 1 11 GLY N N 7.012 -3.708 1.101 1.00 . A A . 11 GLY N 1 1
10 2799 1 1 11 GLY O O 10.318 -3.329 1.490 1.00 . A A . 11 GLY O 1 1
10 2800 1 1 12 SER C C 10.384 -0.530 -0.935 1.00 . A A . 12 SER C 1 1
10 2801 1 1 12 SER CA C 10.686 -2.029 -0.913 1.00 . A A . 12 SER CA 1 1
10 2802 1 1 12 SER CB C 11.203 -2.490 -2.282 1.00 . A A . 12 SER CB 1 1
10 2803 1 1 12 SER H H 8.755 -2.860 -1.158 1.00 . A A . 12 SER H 1 1
10 2804 1 1 12 SER HA H 11.451 -2.214 -0.174 1.00 . A A . 12 SER HA 1 1
10 2805 1 1 12 SER HB2 H 11.286 -3.567 -2.286 1.00 . A A . 12 SER HB2 1 1
10 2806 1 1 12 SER HB3 H 10.507 -2.181 -3.048 1.00 . A A . 12 SER HB3 1 1
10 2807 1 1 12 SER HG H 12.366 -1.156 -3.136 1.00 . A A . 12 SER HG 1 1
10 2808 1 1 12 SER N N 9.519 -2.808 -0.541 1.00 . A A . 12 SER N 1 1
10 2809 1 1 12 SER O O 11.302 0.286 -0.911 1.00 . A A . 12 SER O 1 1
10 2810 1 1 12 SER OG O 12.478 -1.937 -2.574 1.00 . A A . 12 SER OG 1 1
10 2811 1 1 13 LYS C C 7.420 1.534 -0.352 1.00 . A A . 13 LYS C 1 1
10 2812 1 1 13 LYS CA C 8.735 1.249 -1.058 1.00 . A A . 13 LYS CA 1 1
10 2813 1 1 13 LYS CB C 8.622 1.691 -2.513 1.00 . A A . 13 LYS CB 1 1
10 2814 1 1 13 LYS CD C 9.798 2.432 -4.592 1.00 . A A . 13 LYS CD 1 1
10 2815 1 1 13 LYS CE C 9.071 3.763 -4.696 1.00 . A A . 13 LYS CE 1 1
10 2816 1 1 13 LYS CG C 9.964 1.989 -3.161 1.00 . A A . 13 LYS CG 1 1
10 2817 1 1 13 LYS H H 8.405 -0.844 -0.930 1.00 . A A . 13 LYS H 1 1
10 2818 1 1 13 LYS HA H 9.516 1.823 -0.590 1.00 . A A . 13 LYS HA 1 1
10 2819 1 1 13 LYS HB2 H 8.140 0.907 -3.075 1.00 . A A . 13 LYS HB2 1 1
10 2820 1 1 13 LYS HB3 H 8.012 2.584 -2.562 1.00 . A A . 13 LYS HB3 1 1
10 2821 1 1 13 LYS HD2 H 10.771 2.527 -5.047 1.00 . A A . 13 LYS HD2 1 1
10 2822 1 1 13 LYS HD3 H 9.231 1.681 -5.103 1.00 . A A . 13 LYS HD3 1 1
10 2823 1 1 13 LYS HE2 H 8.099 3.665 -4.238 1.00 . A A . 13 LYS HE2 1 1
10 2824 1 1 13 LYS HE3 H 9.643 4.513 -4.169 1.00 . A A . 13 LYS HE3 1 1
10 2825 1 1 13 LYS HG2 H 10.463 2.768 -2.605 1.00 . A A . 13 LYS HG2 1 1
10 2826 1 1 13 LYS HG3 H 10.562 1.092 -3.146 1.00 . A A . 13 LYS HG3 1 1
10 2827 1 1 13 LYS HZ1 H 8.294 3.511 -6.618 1.00 . A A . 13 LYS HZ1 1 1
10 2828 1 1 13 LYS HZ2 H 9.818 4.237 -6.586 1.00 . A A . 13 LYS HZ2 1 1
10 2829 1 1 13 LYS HZ3 H 8.450 5.129 -6.147 1.00 . A A . 13 LYS HZ3 1 1
10 2830 1 1 13 LYS N N 9.108 -0.162 -0.973 1.00 . A A . 13 LYS N 1 1
10 2831 1 1 13 LYS NZ N 8.897 4.189 -6.110 1.00 . A A . 13 LYS NZ 1 1
10 2832 1 1 13 LYS O O 6.617 0.633 -0.110 1.00 . A A . 13 LYS O 1 1
10 2833 1 1 14 ASP C C 4.974 3.520 -0.581 1.00 . A A . 14 ASP C 1 1
10 2834 1 1 14 ASP CA C 5.965 3.268 0.544 1.00 . A A . 14 ASP CA 1 1
10 2835 1 1 14 ASP CB C 6.191 4.542 1.363 1.00 . A A . 14 ASP CB 1 1
10 2836 1 1 14 ASP CG C 4.910 5.112 1.944 1.00 . A A . 14 ASP CG 1 1
10 2837 1 1 14 ASP H H 7.935 3.455 -0.191 1.00 . A A . 14 ASP H 1 1
10 2838 1 1 14 ASP HA H 5.580 2.492 1.186 1.00 . A A . 14 ASP HA 1 1
10 2839 1 1 14 ASP HB2 H 6.863 4.322 2.177 1.00 . A A . 14 ASP HB2 1 1
10 2840 1 1 14 ASP HB3 H 6.639 5.292 0.727 1.00 . A A . 14 ASP HB3 1 1
10 2841 1 1 14 ASP N N 7.218 2.803 -0.027 1.00 . A A . 14 ASP N 1 1
10 2842 1 1 14 ASP O O 5.174 4.402 -1.422 1.00 . A A . 14 ASP O 1 1
10 2843 1 1 14 ASP OD1 O 4.366 4.523 2.901 1.00 . A A . 14 ASP OD1 1 1
10 2844 1 1 14 ASP OD2 O 4.463 6.176 1.469 1.00 . A A . 14 ASP OD2 1 1
10 2845 1 1 15 VAL C C 1.596 3.107 -1.188 1.00 . A A . 15 VAL C 1 1
10 2846 1 1 15 VAL CA C 2.974 2.740 -1.695 1.00 . A A . 15 VAL CA 1 1
10 2847 1 1 15 VAL CB C 2.912 1.361 -2.390 1.00 . A A . 15 VAL CB 1 1
10 2848 1 1 15 VAL CG1 C 1.910 1.377 -3.535 1.00 . A A . 15 VAL CG1 1 1
10 2849 1 1 15 VAL CG2 C 4.288 0.947 -2.891 1.00 . A A . 15 VAL CG2 1 1
10 2850 1 1 15 VAL H H 3.739 2.156 0.169 1.00 . A A . 15 VAL H 1 1
10 2851 1 1 15 VAL HA H 3.298 3.475 -2.416 1.00 . A A . 15 VAL HA 1 1
10 2852 1 1 15 VAL HB H 2.584 0.631 -1.668 1.00 . A A . 15 VAL HB 1 1
10 2853 1 1 15 VAL HG11 H 0.931 1.626 -3.153 1.00 . A A . 15 VAL HG11 1 1
10 2854 1 1 15 VAL HG12 H 1.878 0.402 -3.998 1.00 . A A . 15 VAL HG12 1 1
10 2855 1 1 15 VAL HG13 H 2.209 2.113 -4.267 1.00 . A A . 15 VAL HG13 1 1
10 2856 1 1 15 VAL HG21 H 4.655 1.684 -3.590 1.00 . A A . 15 VAL HG21 1 1
10 2857 1 1 15 VAL HG22 H 4.217 -0.011 -3.384 1.00 . A A . 15 VAL HG22 1 1
10 2858 1 1 15 VAL HG23 H 4.967 0.873 -2.056 1.00 . A A . 15 VAL HG23 1 1
10 2859 1 1 15 VAL N N 3.916 2.736 -0.601 1.00 . A A . 15 VAL N 1 1
10 2860 1 1 15 VAL O O 1.024 2.423 -0.342 1.00 . A A . 15 VAL O 1 1
10 2861 1 1 16 CYS C C -1.242 4.113 -2.385 1.00 . A A . 16 CYS C 1 1
10 2862 1 1 16 CYS CA C -0.263 4.622 -1.338 1.00 . A A . 16 CYS CA 1 1
10 2863 1 1 16 CYS CB C -0.373 6.139 -1.234 1.00 . A A . 16 CYS CB 1 1
10 2864 1 1 16 CYS H H 1.648 4.776 -2.243 1.00 . A A . 16 CYS H 1 1
10 2865 1 1 16 CYS HA H -0.516 4.184 -0.387 1.00 . A A . 16 CYS HA 1 1
10 2866 1 1 16 CYS HB2 H -0.427 6.550 -2.223 1.00 . A A . 16 CYS HB2 1 1
10 2867 1 1 16 CYS HB3 H -1.278 6.386 -0.699 1.00 . A A . 16 CYS HB3 1 1
10 2868 1 1 16 CYS N N 1.090 4.213 -1.670 1.00 . A A . 16 CYS N 1 1
10 2869 1 1 16 CYS O O -0.908 4.015 -3.566 1.00 . A A . 16 CYS O 1 1
10 2870 1 1 16 CYS SG S 1.017 6.933 -0.362 1.00 . A A . 16 CYS SG 1 1
10 2871 1 1 17 SER C C -4.768 3.037 -1.979 1.00 . A A . 17 SER C 1 1
10 2872 1 1 17 SER CA C -3.506 3.292 -2.797 1.00 . A A . 17 SER CA 1 1
10 2873 1 1 17 SER CB C -3.069 2.009 -3.511 1.00 . A A . 17 SER CB 1 1
10 2874 1 1 17 SER H H -2.635 3.923 -0.978 1.00 . A A . 17 SER H 1 1
10 2875 1 1 17 SER HA H -3.719 4.051 -3.535 1.00 . A A . 17 SER HA 1 1
10 2876 1 1 17 SER HB2 H -3.913 1.583 -4.032 1.00 . A A . 17 SER HB2 1 1
10 2877 1 1 17 SER HB3 H -2.289 2.243 -4.222 1.00 . A A . 17 SER HB3 1 1
10 2878 1 1 17 SER HG H -2.149 1.505 -1.856 1.00 . A A . 17 SER HG 1 1
10 2879 1 1 17 SER N N -2.445 3.795 -1.933 1.00 . A A . 17 SER N 1 1
10 2880 1 1 17 SER O O -4.708 2.881 -0.756 1.00 . A A . 17 SER O 1 1
10 2881 1 1 17 SER OG O -2.574 1.051 -2.592 1.00 . A A . 17 SER OG 1 1
10 2882 1 1 18 GLN C C -7.630 1.374 -2.000 1.00 . A A . 18 GLN C 1 1
10 2883 1 1 18 GLN CA C -7.179 2.832 -1.973 1.00 . A A . 18 GLN CA 1 1
10 2884 1 1 18 GLN CB C -8.222 3.743 -2.608 1.00 . A A . 18 GLN CB 1 1
10 2885 1 1 18 GLN CD C -8.875 6.123 -3.128 1.00 . A A . 18 GLN CD 1 1
10 2886 1 1 18 GLN CG C -7.897 5.204 -2.427 1.00 . A A . 18 GLN CG 1 1
10 2887 1 1 18 GLN H H -5.892 3.100 -3.627 1.00 . A A . 18 GLN H 1 1
10 2888 1 1 18 GLN HA H -7.041 3.134 -0.948 1.00 . A A . 18 GLN HA 1 1
10 2889 1 1 18 GLN HB2 H -8.263 3.541 -3.664 1.00 . A A . 18 GLN HB2 1 1
10 2890 1 1 18 GLN HB3 H -9.187 3.548 -2.166 1.00 . A A . 18 GLN HB3 1 1
10 2891 1 1 18 GLN HE21 H -7.783 6.066 -4.786 1.00 . A A . 18 GLN HE21 1 1
10 2892 1 1 18 GLN HE22 H -9.218 7.030 -4.860 1.00 . A A . 18 GLN HE22 1 1
10 2893 1 1 18 GLN HG2 H -7.901 5.434 -1.372 1.00 . A A . 18 GLN HG2 1 1
10 2894 1 1 18 GLN HG3 H -6.914 5.370 -2.826 1.00 . A A . 18 GLN HG3 1 1
10 2895 1 1 18 GLN N N -5.907 3.002 -2.648 1.00 . A A . 18 GLN N 1 1
10 2896 1 1 18 GLN NE2 N -8.596 6.439 -4.382 1.00 . A A . 18 GLN NE2 1 1
10 2897 1 1 18 GLN O O -8.478 0.981 -2.797 1.00 . A A . 18 GLN O 1 1
10 2898 1 1 18 GLN OE1 O -9.874 6.545 -2.546 1.00 . A A . 18 GLN OE1 1 1
10 2899 1 1 19 SER C C -8.739 -1.027 -0.301 1.00 . A A . 19 SER C 1 1
10 2900 1 1 19 SER CA C -7.379 -0.834 -0.985 1.00 . A A . 19 SER CA 1 1
10 2901 1 1 19 SER CB C -6.296 -1.494 -0.167 1.00 . A A . 19 SER CB 1 1
10 2902 1 1 19 SER H H -6.348 0.954 -0.536 1.00 . A A . 19 SER H 1 1
10 2903 1 1 19 SER HA H -7.396 -1.293 -1.966 1.00 . A A . 19 SER HA 1 1
10 2904 1 1 19 SER HB2 H -6.334 -1.110 0.837 1.00 . A A . 19 SER HB2 1 1
10 2905 1 1 19 SER HB3 H -6.453 -2.557 -0.149 1.00 . A A . 19 SER HB3 1 1
10 2906 1 1 19 SER HG H -4.463 -0.803 -0.035 1.00 . A A . 19 SER HG 1 1
10 2907 1 1 19 SER N N -7.048 0.580 -1.114 1.00 . A A . 19 SER N 1 1
10 2908 1 1 19 SER O O -9.668 -1.569 -0.893 1.00 . A A . 19 SER O 1 1
10 2909 1 1 19 SER OG O -5.014 -1.224 -0.710 1.00 . A A . 19 SER OG 1 1
10 2910 1 1 20 CYS C C -10.978 0.547 1.523 1.00 . A A . 20 CYS C 1 1
10 2911 1 1 20 CYS CA C -10.096 -0.683 1.708 1.00 . A A . 20 CYS CA 1 1
10 2912 1 1 20 CYS CB C -9.809 -0.879 3.203 1.00 . A A . 20 CYS CB 1 1
10 2913 1 1 20 CYS H H -8.088 -0.105 1.352 1.00 . A A . 20 CYS H 1 1
10 2914 1 1 20 CYS HA H -10.623 -1.547 1.334 1.00 . A A . 20 CYS HA 1 1
10 2915 1 1 20 CYS HB2 H -9.197 -0.061 3.550 1.00 . A A . 20 CYS HB2 1 1
10 2916 1 1 20 CYS HB3 H -10.746 -0.870 3.741 1.00 . A A . 20 CYS HB3 1 1
10 2917 1 1 20 CYS N N -8.853 -0.551 0.942 1.00 . A A . 20 CYS N 1 1
10 2918 1 1 20 CYS O O -11.906 0.783 2.296 1.00 . A A . 20 CYS O 1 1
10 2919 1 1 20 CYS SG S -8.943 -2.430 3.626 1.00 . A A . 20 CYS SG 1 1
10 2920 1 1 21 CYS C C -11.918 2.521 -1.229 1.00 . A A . 21 CYS C 1 1
10 2921 1 1 21 CYS CA C -11.434 2.536 0.217 1.00 . A A . 21 CYS CA 1 1
10 2922 1 1 21 CYS CB C -10.585 3.784 0.490 1.00 . A A . 21 CYS CB 1 1
10 2923 1 1 21 CYS H H -9.947 1.076 -0.096 1.00 . A A . 21 CYS H 1 1
10 2924 1 1 21 CYS HA H -12.293 2.546 0.870 1.00 . A A . 21 CYS HA 1 1
10 2925 1 1 21 CYS HB2 H -9.590 3.623 0.104 1.00 . A A . 21 CYS HB2 1 1
10 2926 1 1 21 CYS HB3 H -11.027 4.626 -0.024 1.00 . A A . 21 CYS HB3 1 1
10 2927 1 1 21 CYS N N -10.680 1.329 0.500 1.00 . A A . 21 CYS N 1 1
10 2928 1 1 21 CYS O O -11.252 3.125 -2.089 1.00 . A A . 21 CYS O 1 1
10 2929 1 1 21 CYS OXT O -12.951 1.872 -1.503 1.00 . A A . 21 CYS OXT 1 1
10 2930 1 1 21 CYS SG S -10.423 4.238 2.257 1.00 . A A . 21 CYS SG 1 1
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