NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
514133 |
2lda   |
17657 | cing | 4-filtered-FRED | STAR | entry | full | 202 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2lda
# This FRED archive file contains, for PDB entry <2lda>:
#
# - 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_2lda
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2lda
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1398.61
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $Estrogen_receptor_binding_stapled_peptide_SP2 A . 1 1
stop_
save_
save_Estrogen_receptor_binding_stapled_peptide_SP2
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Estrogen receptor binding stapled peptide SP2"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XHKXLHQXLQDSX
_Entity.Number_of_monomers 13
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 ACE $ACE 1 1
2 HIS . 1 1
3 LYS . 1 1
4 . $. 1 1
5 LEU . 1 1
6 HIS . 1 1
7 GLN . 1 1
8 . $. 1 1
9 LEU . 1 1
10 GLN . 1 1
11 ASP . 1 1
12 SER . 1 1
13 NH2 $NH2 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
ACE 1 1 1 1
HIS 2 2 1 1
LYS 3 3 1 1
. 4 4 1 1
LEU 5 5 1 1
HIS 6 6 1 1
GLN 7 7 1 1
. 8 8 1 1
LEU 9 9 1 1
GLN 10 10 1 1
ASP 11 11 1 1
SER 12 12 1 1
NH2 13 13 1 1
stop_
save_
save_ACE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ACE
_Chem_comp.Type non-polymer
save_
save_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID NH2
_Chem_comp.Type non-polymer
save_
save_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
119 1 . . . 1 1
120 1 . . . 1 1
121 1 . . . 1 1
122 1 . . . 1 1
123 1 . . . 1 1
124 1 . . . 1 1
125 1 . . . 1 1
126 1 . . . 1 1
127 1 . . . 1 1
128 1 . . . 1 1
129 1 . . . 1 1
130 1 . . . 1 1
131 1 . . . 1 1
132 1 . . . 1 1
133 1 . . . 1 1
134 1 . . . 1 1
135 1 . . . 1 1
136 1 . . . 1 1
137 1 . . . 1 1
138 1 . . . 1 1
139 1 . . . 1 1
140 1 . . . 1 1
141 1 . . . 1 1
142 1 . . . 1 1
143 1 . . . 1 1
144 1 . . . 1 1
145 1 . . . 1 1
146 1 . . . 1 1
147 1 . . . 1 1
148 1 . . . 1 1
149 1 . . . 1 1
150 1 . . . 1 1
151 1 . . . 1 1
152 1 . . . 1 1
153 1 . . . 1 1
154 1 . . . 1 1
155 1 . . . 1 1
156 1 . . . 1 1
157 1 . . . 1 1
158 1 . . . 1 1
159 1 . . . 1 1
160 1 . . . 1 1
161 1 . . . 1 1
162 1 . . . 1 1
163 1 . . . 1 1
164 1 . . . 1 1
165 1 . . . 1 1
166 1 . . . 1 1
167 1 . . . 1 1
168 1 . . . 1 1
169 1 . . . 1 1
170 1 . . . 1 1
171 1 . . . 1 1
172 1 . . . 1 1
173 1 . . . 1 1
174 1 . . . 1 1
175 1 . . . 1 1
176 1 . . . 1 1
177 1 . . . 1 1
178 1 . . . 1 1
179 1 . . . 1 1
180 1 . . . 1 1
181 1 . . . 1 1
182 1 . . . 1 1
183 1 . . . 1 1
184 1 . . . 1 1
185 1 . . . 1 1
186 1 . . . 1 1
187 1 . . . 1 1
188 1 . . . 1 1
189 1 . . . 1 1
190 1 . . . 1 1
191 1 . . . 1 1
192 1 . . . 1 1
193 1 . . . 1 1
194 1 . . . 1 1
195 1 . . . 1 1
196 1 . . . 1 1
197 1 . . . 1 1
198 1 . . . 1 1
199 1 . . . 1 1
200 1 . . . 1 1
201 1 . . . 1 1
202 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 2 HIS H . 1 . HN 1 1
1 1 2 1 1 2 HIS HA . 1 . HA 1 1
2 1 1 1 1 2 HIS H . 1 . HN 1 1
2 1 2 1 1 2 HIS HB2 . 1 . HB2 1 1
3 1 1 1 1 2 HIS H . 1 . HN 1 1
3 1 2 1 1 2 HIS HB3 . 1 . HB1 1 1
4 1 1 1 1 2 HIS H . 1 . HN 1 1
4 1 2 1 1 4 . HN . 3 . HN 1 1
5 1 1 1 1 2 HIS HA . 1 . HA 1 1
5 1 2 1 1 2 HIS HB2 . 1 . HB2 1 1
6 1 1 1 1 2 HIS HA . 1 . HA 1 1
6 1 2 1 1 2 HIS HB3 . 1 . HB1 1 1
7 1 1 1 1 2 HIS HA . 1 . HA 1 1
7 1 2 1 1 2 HIS HD2 . 1 . HD2 1 1
8 1 1 1 1 2 HIS HA . 1 . HA 1 1
8 1 2 1 1 3 LYS H . 2 . HN 1 1
9 1 1 1 1 2 HIS HA . 1 . HA 1 1
9 1 2 1 1 3 LYS HA . 2 . HA 1 1
10 1 1 1 1 2 HIS HA . 1 . HA 1 1
10 1 2 1 1 4 . HN . 3 . HN 1 1
11 1 1 1 1 2 HIS HA . 1 . HA 1 1
11 1 2 1 1 5 LEU H . 4 . HN 1 1
12 1 1 1 1 2 HIS HA . 1 . HA 1 1
12 1 2 1 1 5 LEU HB2 . 4 . HB2 1 1
13 1 1 1 1 2 HIS HA . 1 . HA 1 1
13 1 2 1 1 5 LEU HB3 . 4 . HB1 1 1
14 1 1 1 1 2 HIS HB2 . 1 . HB2 1 1
14 1 2 1 1 2 HIS HD2 . 1 . HD2 1 1
15 1 1 1 1 2 HIS HB2 . 1 . HB2 1 1
15 1 2 1 1 3 LYS H . 2 . HN 1 1
16 1 1 1 1 2 HIS HB3 . 1 . HB1 1 1
16 1 2 1 1 2 HIS HD2 . 1 . HD2 1 1
17 1 1 1 1 2 HIS HB3 . 1 . HB1 1 1
17 1 2 1 1 3 LYS H . 2 . HN 1 1
18 1 1 1 1 2 HIS HB3 . 1 . HB1 1 1
18 1 2 1 1 3 LYS HA . 2 . HA 1 1
19 1 1 1 1 2 HIS HB3 . 1 . HB1 1 1
19 1 2 1 1 3 LYS QG . 2 . HG2 1 1
20 1 1 1 1 3 LYS H . 2 . HN 1 1
20 1 2 1 1 3 LYS HA . 2 . HA 1 1
21 1 1 1 1 3 LYS H . 2 . HN 1 1
21 1 2 1 1 3 LYS QB . 2 . HB1 1 1
22 1 1 1 1 3 LYS H . 2 . HN 1 1
22 1 2 1 1 3 LYS QD . 2 . HD# 1 1
23 1 1 1 1 3 LYS H . 2 . HN 1 1
23 1 2 1 1 3 LYS QG . 2 . HG1 1 1
24 1 1 1 1 3 LYS H . 2 . HN 1 1
24 1 2 1 1 4 . HN . 3 . HN 1 1
25 1 1 1 1 3 LYS H . 2 . HN 1 1
25 1 2 1 1 5 LEU H . 4 . HN 1 1
26 1 1 1 1 3 LYS H . 2 . HN 1 1
26 1 2 1 1 6 HIS QB . 5 . HB# 1 1
27 1 1 1 1 3 LYS HA . 2 . HA 1 1
27 1 2 1 1 3 LYS QD . 2 . HD# 1 1
28 1 1 1 1 3 LYS HA . 2 . HA 1 1
28 1 2 1 1 3 LYS QG . 2 . HG1 1 1
29 1 1 1 1 3 LYS HA . 2 . HA 1 1
29 1 2 1 1 4 . HN . 3 . HN 1 1
30 1 1 1 1 3 LYS HA . 2 . HA 1 1
30 1 2 1 1 6 HIS H . 5 . HN 1 1
31 1 1 1 1 3 LYS HA . 2 . HA 1 1
31 1 2 1 1 6 HIS QB . 5 . HB# 1 1
32 1 1 1 1 3 LYS HA . 2 . HA 1 1
32 1 2 1 1 7 GLN H . 6 . HN 1 1
33 1 1 1 1 3 LYS QB . 2 . HB2 1 1
33 1 2 1 1 3 LYS QD . 2 . HD# 1 1
34 1 1 1 1 3 LYS QB . 2 . HB1 1 1
34 1 2 1 1 3 LYS HE2 . 2 . HE2 1 1
35 1 1 1 1 3 LYS QB . 2 . HB2 1 1
35 1 2 1 1 3 LYS HE3 . 2 . HE1 1 1
36 1 1 1 1 3 LYS QB . 2 . HB1 1 1
36 1 2 1 1 4 . HN . 3 . HN 1 1
37 1 1 1 1 3 LYS QB . 2 . HB1 1 1
37 1 2 1 1 6 HIS QB . 5 . HB# 1 1
38 1 1 1 1 3 LYS QB . 2 . HB1 1 1
38 1 2 1 1 7 GLN QG . 6 . HG1 1 1
39 1 1 1 1 3 LYS QD . 2 . HD# 1 1
39 1 2 1 1 3 LYS HE2 . 2 . HE2 1 1
40 1 1 1 1 3 LYS QD . 2 . HD# 1 1
40 1 2 1 1 3 LYS HE3 . 2 . HE1 1 1
41 1 1 1 1 3 LYS QD . 2 . HD# 1 1
41 1 2 1 1 3 LYS QG . 2 . HG1 1 1
42 1 1 1 1 3 LYS QD . 2 . HD# 1 1
42 1 2 1 1 4 . HN . 3 . HN 1 1
43 1 1 1 1 3 LYS HE2 . 2 . HE2 1 1
43 1 2 1 1 3 LYS QG . 2 . HG1 1 1
44 1 1 1 1 3 LYS HE3 . 2 . HE1 1 1
44 1 2 1 1 3 LYS QG . 2 . HG1 1 1
45 1 1 1 1 3 LYS QG . 2 . HG1 1 1
45 1 2 1 1 4 . HN . 3 . HN 1 1
46 1 1 1 1 3 LYS QG . 2 . HG2 1 1
46 1 2 1 1 6 HIS QB . 5 . HB# 1 1
47 1 1 1 1 4 . HN . 3 . HN 1 1
47 1 2 1 1 5 LEU H . 4 . HN 1 1
48 1 1 1 1 4 . HN . 3 . HN 1 1
48 1 2 1 1 6 HIS H . 5 . HN 1 1
49 1 1 1 1 5 LEU H . 4 . HN 1 1
49 1 2 1 1 5 LEU HA . 4 . HA 1 1
50 1 1 1 1 5 LEU H . 4 . HN 1 1
50 1 2 1 1 5 LEU HB2 . 4 . HB2 1 1
51 1 1 1 1 5 LEU H . 4 . HN 1 1
51 1 2 1 1 5 LEU HB3 . 4 . HB1 1 1
52 1 1 1 1 5 LEU H . 4 . HN 1 1
52 1 2 1 1 5 LEU QD . 4 . HD1# 1 1
53 1 1 1 1 5 LEU H . 4 . HN 1 1
53 1 2 1 1 5 LEU HG . 4 . HG 1 1
54 1 1 1 1 5 LEU H . 4 . HN 1 1
54 1 2 1 1 6 HIS QB . 5 . HB# 1 1
55 1 1 1 1 5 LEU H . 4 . HN 1 1
55 1 2 1 1 7 GLN H . 6 . HN 1 1
56 1 1 1 1 5 LEU HA . 4 . HA 1 1
56 1 2 1 1 5 LEU HB2 . 4 . HB2 1 1
57 1 1 1 1 5 LEU HA . 4 . HA 1 1
57 1 2 1 1 5 LEU HB3 . 4 . HB1 1 1
58 1 1 1 1 5 LEU HA . 4 . HA 1 1
58 1 2 1 1 5 LEU QD . 4 . HD1# 1 1
59 1 1 1 1 5 LEU HA . 4 . HA 1 1
59 1 2 1 1 5 LEU HG . 4 . HG 1 1
60 1 1 1 1 5 LEU HA . 4 . HA 1 1
60 1 2 1 1 6 HIS H . 5 . HN 1 1
61 1 1 1 1 5 LEU HA . 4 . HA 1 1
61 1 2 1 1 6 HIS HA . 5 . HA 1 1
62 1 1 1 1 5 LEU HA . 4 . HA 1 1
62 1 2 1 1 7 GLN H . 6 . HN 1 1
63 1 1 1 1 5 LEU HA . 4 . HA 1 1
63 1 2 1 1 7 GLN QB . 6 . HB2 1 1
64 1 1 1 1 5 LEU HA . 4 . HA 1 1
64 1 2 1 1 8 . HN . 7 . HN 1 1
65 1 1 1 1 5 LEU HA . 4 . HA 1 1
65 1 2 1 1 9 LEU H . 8 . HN 1 1
66 1 1 1 1 5 LEU HB2 . 4 . HB2 1 1
66 1 2 1 1 5 LEU QD . 4 . HD1# 1 1
67 1 1 1 1 5 LEU HB2 . 4 . HB2 1 1
67 1 2 1 1 5 LEU HG . 4 . HG 1 1
68 1 1 1 1 5 LEU HB2 . 4 . HB2 1 1
68 1 2 1 1 6 HIS H . 5 . HN 1 1
69 1 1 1 1 5 LEU HB3 . 4 . HB1 1 1
69 1 2 1 1 5 LEU QD . 4 . HD1# 1 1
70 1 1 1 1 5 LEU HB3 . 4 . HB1 1 1
70 1 2 1 1 6 HIS H . 5 . HN 1 1
71 1 1 1 1 5 LEU HB3 . 4 . HB1 1 1
71 1 2 1 1 6 HIS HA . 5 . HA 1 1
72 1 1 1 1 5 LEU HB3 . 4 . HB1 1 1
72 1 2 1 1 6 HIS QB . 5 . HB# 1 1
73 1 1 1 1 5 LEU QD . 4 . HD1# 1 1
73 1 2 1 1 5 LEU HG . 4 . HG 1 1
74 1 1 1 1 5 LEU QD . 4 . HD1# 1 1
74 1 2 1 1 6 HIS H . 5 . HN 1 1
75 1 1 1 1 5 LEU QD . 4 . HD2# 1 1
75 1 2 1 1 6 HIS HA . 5 . HA 1 1
76 1 1 1 1 5 LEU QD . 4 . HD1# 1 1
76 1 2 1 1 8 . HN . 7 . HN 1 1
77 1 1 1 1 5 LEU QD . 4 . HD1# 1 1
77 1 2 1 1 9 LEU H . 8 . HN 1 1
78 1 1 1 1 5 LEU QD . 4 . HD1# 1 1
78 1 2 1 1 9 LEU QB . 8 . HB2 1 1
79 1 1 1 1 5 LEU QD . 4 . HD2# 1 1
79 1 2 1 1 9 LEU QD . 8 . HD1# 1 1
80 1 1 1 1 5 LEU QD . 4 . HD1# 1 1
80 1 2 1 1 9 LEU HG . 8 . HG 1 1
81 1 1 1 1 5 LEU HG . 4 . HG 1 1
81 1 2 1 1 9 LEU QB . 8 . HB2 1 1
82 1 1 1 1 6 HIS H . 5 . HN 1 1
82 1 2 1 1 6 HIS HA . 5 . HA 1 1
83 1 1 1 1 6 HIS H . 5 . HN 1 1
83 1 2 1 1 6 HIS QB . 5 . HB# 1 1
84 1 1 1 1 6 HIS H . 5 . HN 1 1
84 1 2 1 1 6 HIS HD2 . 5 . HD2 1 1
85 1 1 1 1 6 HIS H . 5 . HN 1 1
85 1 2 1 1 7 GLN H . 6 . HN 1 1
86 1 1 1 1 6 HIS H . 5 . HN 1 1
86 1 2 1 1 7 GLN QB . 6 . HB2 1 1
87 1 1 1 1 6 HIS H . 5 . HN 1 1
87 1 2 1 1 8 . HN . 7 . HN 1 1
88 1 1 1 1 6 HIS H . 5 . HN 1 1
88 1 2 1 1 9 LEU H . 8 . HN 1 1
89 1 1 1 1 6 HIS HA . 5 . HA 1 1
89 1 2 1 1 6 HIS QB . 5 . HB# 1 1
90 1 1 1 1 6 HIS HA . 5 . HA 1 1
90 1 2 1 1 6 HIS HD2 . 5 . HD2 1 1
91 1 1 1 1 6 HIS HA . 5 . HA 1 1
91 1 2 1 1 7 GLN H . 6 . HN 1 1
92 1 1 1 1 6 HIS HA . 5 . HA 1 1
92 1 2 1 1 7 GLN HA . 6 . HA 1 1
93 1 1 1 1 6 HIS HA . 5 . HA 1 1
93 1 2 1 1 9 LEU H . 8 . HN 1 1
94 1 1 1 1 6 HIS HA . 5 . HA 1 1
94 1 2 1 1 9 LEU QB . 8 . HB1 1 1
95 1 1 1 1 6 HIS HA . 5 . HA 1 1
95 1 2 1 1 9 LEU QD . 8 . HD2# 1 1
96 1 1 1 1 6 HIS HA . 5 . HA 1 1
96 1 2 1 1 10 GLN H . 9 . HN 1 1
97 1 1 1 1 6 HIS QB . 5 . HB# 1 1
97 1 2 1 1 6 HIS HD2 . 5 . HD2 1 1
98 1 1 1 1 6 HIS QB . 5 . HB# 1 1
98 1 2 1 1 6 HIS HE1 . 5 . HE1 1 1
99 1 1 1 1 6 HIS QB . 5 . HB# 1 1
99 1 2 1 1 7 GLN H . 6 . HN 1 1
100 1 1 1 1 6 HIS QB . 5 . HB# 1 1
100 1 2 1 1 7 GLN HA . 6 . HA 1 1
101 1 1 1 1 6 HIS QB . 5 . HB# 1 1
101 1 2 1 1 7 GLN QB . 6 . HB2 1 1
102 1 1 1 1 6 HIS QB . 5 . HB# 1 1
102 1 2 1 1 7 GLN QG . 6 . HG2 1 1
103 1 1 1 1 6 HIS QB . 5 . HB# 1 1
103 1 2 1 1 8 . HN . 7 . HN 1 1
104 1 1 1 1 6 HIS QB . 5 . HB# 1 1
104 1 2 1 1 9 LEU H . 8 . HN 1 1
105 1 1 1 1 6 HIS QB . 5 . HB# 1 1
105 1 2 1 1 9 LEU QB . 8 . HB1 1 1
106 1 1 1 1 6 HIS QB . 5 . HB# 1 1
106 1 2 1 1 9 LEU QD . 8 . HD2# 1 1
107 1 1 1 1 6 HIS HD2 . 5 . HD2 1 1
107 1 2 1 1 7 GLN H . 6 . HN 1 1
108 1 1 1 1 6 HIS HD2 . 5 . HD2 1 1
108 1 2 1 1 9 LEU QD . 8 . HD2# 1 1
109 1 1 1 1 6 HIS HE1 . 5 . HE1 1 1
109 1 2 1 1 10 GLN QG . 9 . HG# 1 1
110 1 1 1 1 7 GLN H . 6 . HN 1 1
110 1 2 1 1 7 GLN HA . 6 . HA 1 1
111 1 1 1 1 7 GLN H . 6 . HN 1 1
111 1 2 1 1 7 GLN QB . 6 . HB1 1 1
112 1 1 1 1 7 GLN H . 6 . HN 1 1
112 1 2 1 1 7 GLN QG . 6 . HG1 1 1
113 1 1 1 1 7 GLN H . 6 . HN 1 1
113 1 2 1 1 8 . HN . 7 . HN 1 1
114 1 1 1 1 7 GLN H . 6 . HN 1 1
114 1 2 1 1 9 LEU H . 8 . HN 1 1
115 1 1 1 1 7 GLN H . 6 . HN 1 1
115 1 2 1 1 9 LEU QB . 8 . HB2 1 1
116 1 1 1 1 7 GLN HA . 6 . HA 1 1
116 1 2 1 1 7 GLN QG . 6 . HG1 1 1
117 1 1 1 1 7 GLN HA . 6 . HA 1 1
117 1 2 1 1 8 . HN . 7 . HN 1 1
118 1 1 1 1 7 GLN HA . 6 . HA 1 1
118 1 2 1 1 9 LEU H . 8 . HN 1 1
119 1 1 1 1 7 GLN HA . 6 . HA 1 1
119 1 2 1 1 10 GLN H . 9 . HN 1 1
120 1 1 1 1 7 GLN HA . 6 . HA 1 1
120 1 2 1 1 10 GLN HB2 . 9 . HB2 1 1
121 1 1 1 1 7 GLN HA . 6 . HA 1 1
121 1 2 1 1 10 GLN HB3 . 9 . HB1 1 1
122 1 1 1 1 7 GLN HA . 6 . HA 1 1
122 1 2 1 1 10 GLN QG . 9 . HG# 1 1
123 1 1 1 1 7 GLN HA . 6 . HA 1 1
123 1 2 1 1 11 ASP H . 10 . HN 1 1
124 1 1 1 1 7 GLN QB . 6 . HB1 1 1
124 1 2 1 1 7 GLN HE22 . 6 . HE22 1 1
125 1 1 1 1 7 GLN QB . 6 . HB1 1 1
125 1 2 1 1 8 . HN . 7 . HN 1 1
126 1 1 1 1 7 GLN QB . 6 . HB2 1 1
126 1 2 1 1 9 LEU H . 8 . HN 1 1
127 1 1 1 1 7 GLN QB . 6 . HB1 1 1
127 1 2 1 1 10 GLN HB2 . 9 . HB2 1 1
128 1 1 1 1 7 GLN HE22 . 6 . HE22 1 1
128 1 2 1 1 7 GLN QG . 6 . HG1 1 1
129 1 1 1 1 7 GLN QG . 6 . HG2 1 1
129 1 2 1 1 8 . HN . 7 . HN 1 1
130 1 1 1 1 8 . HN . 7 . HN 1 1
130 1 2 1 1 9 LEU H . 8 . HN 1 1
131 1 1 1 1 8 . HN . 7 . HN 1 1
131 1 2 1 1 9 LEU QB . 8 . HB2 1 1
132 1 1 1 1 8 . HN . 7 . HN 1 1
132 1 2 1 1 10 GLN H . 9 . HN 1 1
133 1 1 1 1 9 LEU H . 8 . HN 1 1
133 1 2 1 1 9 LEU HA . 8 . HA 1 1
134 1 1 1 1 9 LEU H . 8 . HN 1 1
134 1 2 1 1 9 LEU QB . 8 . HB1 1 1
135 1 1 1 1 9 LEU H . 8 . HN 1 1
135 1 2 1 1 9 LEU QD . 8 . HD1# 1 1
136 1 1 1 1 9 LEU H . 8 . HN 1 1
136 1 2 1 1 9 LEU HG . 8 . HG 1 1
137 1 1 1 1 9 LEU H . 8 . HN 1 1
137 1 2 1 1 11 ASP H . 10 . HN 1 1
138 1 1 1 1 9 LEU HA . 8 . HA 1 1
138 1 2 1 1 9 LEU QD . 8 . HD1# 1 1
139 1 1 1 1 9 LEU HA . 8 . HA 1 1
139 1 2 1 1 9 LEU HG . 8 . HG 1 1
140 1 1 1 1 9 LEU HA . 8 . HA 1 1
140 1 2 1 1 10 GLN H . 9 . HN 1 1
141 1 1 1 1 9 LEU HA . 8 . HA 1 1
141 1 2 1 1 11 ASP H . 10 . HN 1 1
142 1 1 1 1 9 LEU HA . 8 . HA 1 1
142 1 2 1 1 12 SER H . 11 . HN 1 1
143 1 1 1 1 9 LEU HA . 8 . HA 1 1
143 1 2 1 1 12 SER QB . 11 . HB1 1 1
144 1 1 1 1 9 LEU QB . 8 . HB1 1 1
144 1 2 1 1 9 LEU QD . 8 . HD1# 1 1
145 1 1 1 1 9 LEU QB . 8 . HB1 1 1
145 1 2 1 1 9 LEU HG . 8 . HG 1 1
146 1 1 1 1 9 LEU QB . 8 . HB1 1 1
146 1 2 1 1 10 GLN H . 9 . HN 1 1
147 1 1 1 1 9 LEU QB . 8 . HB1 1 1
147 1 2 1 1 10 GLN HA . 9 . HA 1 1
148 1 1 1 1 9 LEU QB . 8 . HB1 1 1
148 1 2 1 1 10 GLN HB2 . 9 . HB2 1 1
149 1 1 1 1 9 LEU QB . 8 . HB1 1 1
149 1 2 1 1 10 GLN QG . 9 . HG# 1 1
150 1 1 1 1 9 LEU MD1 . 8 . HD1# 1 1
150 1 2 1 1 9 LEU MD2 . 8 . HD2# 1 1
151 1 1 1 1 9 LEU QD . 8 . HD1# 1 1
151 1 2 1 1 9 LEU HG . 8 . HG 1 1
152 1 1 1 1 9 LEU QD . 8 . HD1# 1 1
152 1 2 1 1 10 GLN H . 9 . HN 1 1
153 1 1 1 1 9 LEU QD . 8 . HD2# 1 1
153 1 2 1 1 10 GLN HA . 9 . HA 1 1
154 1 1 1 1 9 LEU QD . 8 . HD2# 1 1
154 1 2 1 1 10 GLN QG . 9 . HG# 1 1
155 1 1 1 1 9 LEU HG . 8 . HG 1 1
155 1 2 1 1 10 GLN H . 9 . HN 1 1
156 1 1 1 1 9 LEU HG . 8 . HG 1 1
156 1 2 1 1 10 GLN QG . 9 . HG# 1 1
157 1 1 1 1 10 GLN H . 9 . HN 1 1
157 1 2 1 1 10 GLN HA . 9 . HA 1 1
158 1 1 1 1 10 GLN H . 9 . HN 1 1
158 1 2 1 1 10 GLN HB2 . 9 . HB2 1 1
159 1 1 1 1 10 GLN H . 9 . HN 1 1
159 1 2 1 1 10 GLN HB3 . 9 . HB1 1 1
160 1 1 1 1 10 GLN H . 9 . HN 1 1
160 1 2 1 1 10 GLN QG . 9 . HG# 1 1
161 1 1 1 1 10 GLN H . 9 . HN 1 1
161 1 2 1 1 11 ASP H . 10 . HN 1 1
162 1 1 1 1 10 GLN H . 9 . HN 1 1
162 1 2 1 1 11 ASP HB3 . 10 . HB1 1 1
163 1 1 1 1 10 GLN H . 9 . HN 1 1
163 1 2 1 1 12 SER H . 11 . HN 1 1
164 1 1 1 1 10 GLN H . 9 . HN 1 1
164 1 2 1 1 13 NH2 HN1 . 12 . HN1 1 1
165 1 1 1 1 10 GLN HA . 9 . HA 1 1
165 1 2 1 1 10 GLN HB2 . 9 . HB2 1 1
166 1 1 1 1 10 GLN HA . 9 . HA 1 1
166 1 2 1 1 10 GLN HB3 . 9 . HB1 1 1
167 1 1 1 1 10 GLN HA . 9 . HA 1 1
167 1 2 1 1 10 GLN QG . 9 . HG# 1 1
168 1 1 1 1 10 GLN HA . 9 . HA 1 1
168 1 2 1 1 11 ASP H . 10 . HN 1 1
169 1 1 1 1 10 GLN HA . 9 . HA 1 1
169 1 2 1 1 11 ASP HA . 10 . HA 1 1
170 1 1 1 1 10 GLN HA . 9 . HA 1 1
170 1 2 1 1 12 SER H . 11 . HN 1 1
171 1 1 1 1 10 GLN HB2 . 9 . HB2 1 1
171 1 2 1 1 10 GLN HE21 . 9 . HE21 1 1
172 1 1 1 1 10 GLN HB2 . 9 . HB2 1 1
172 1 2 1 1 10 GLN QG . 9 . HG# 1 1
173 1 1 1 1 10 GLN HB2 . 9 . HB2 1 1
173 1 2 1 1 11 ASP H . 10 . HN 1 1
174 1 1 1 1 10 GLN HB2 . 9 . HB2 1 1
174 1 2 1 1 11 ASP HA . 10 . HA 1 1
175 1 1 1 1 10 GLN HB2 . 9 . HB2 1 1
175 1 2 1 1 12 SER H . 11 . HN 1 1
176 1 1 1 1 10 GLN HB3 . 9 . HB1 1 1
176 1 2 1 1 10 GLN HE21 . 9 . HE21 1 1
177 1 1 1 1 10 GLN HB3 . 9 . HB1 1 1
177 1 2 1 1 10 GLN QG . 9 . HG# 1 1
178 1 1 1 1 10 GLN HB3 . 9 . HB1 1 1
178 1 2 1 1 11 ASP H . 10 . HN 1 1
179 1 1 1 1 10 GLN HB3 . 9 . HB1 1 1
179 1 2 1 1 11 ASP HA . 10 . HA 1 1
180 1 1 1 1 10 GLN HE21 . 9 . HE21 1 1
180 1 2 1 1 10 GLN QG . 9 . HG# 1 1
181 1 1 1 1 10 GLN HE22 . 9 . HE22 1 1
181 1 2 1 1 10 GLN QG . 9 . HG# 1 1
182 1 1 1 1 10 GLN QG . 9 . HG# 1 1
182 1 2 1 1 11 ASP H . 10 . HN 1 1
183 1 1 1 1 11 ASP H . 10 . HN 1 1
183 1 2 1 1 11 ASP HA . 10 . HA 1 1
184 1 1 1 1 11 ASP H . 10 . HN 1 1
184 1 2 1 1 11 ASP HB2 . 10 . HB2 1 1
185 1 1 1 1 11 ASP H . 10 . HN 1 1
185 1 2 1 1 11 ASP HB3 . 10 . HB1 1 1
186 1 1 1 1 11 ASP H . 10 . HN 1 1
186 1 2 1 1 12 SER H . 11 . HN 1 1
187 1 1 1 1 11 ASP H . 10 . HN 1 1
187 1 2 1 1 12 SER QB . 11 . HB2 1 1
188 1 1 1 1 11 ASP HA . 10 . HA 1 1
188 1 2 1 1 11 ASP HB2 . 10 . HB2 1 1
189 1 1 1 1 11 ASP HA . 10 . HA 1 1
189 1 2 1 1 11 ASP HB3 . 10 . HB1 1 1
190 1 1 1 1 11 ASP HA . 10 . HA 1 1
190 1 2 1 1 12 SER H . 11 . HN 1 1
191 1 1 1 1 11 ASP HA . 10 . HA 1 1
191 1 2 1 1 12 SER HA . 11 . HA 1 1
192 1 1 1 1 11 ASP HB2 . 10 . HB2 1 1
192 1 2 1 1 12 SER H . 11 . HN 1 1
193 1 1 1 1 11 ASP HB3 . 10 . HB1 1 1
193 1 2 1 1 12 SER H . 11 . HN 1 1
194 1 1 1 1 12 SER H . 11 . HN 1 1
194 1 2 1 1 12 SER HA . 11 . HA 1 1
195 1 1 1 1 12 SER H . 11 . HN 1 1
195 1 2 1 1 12 SER QB . 11 . HB1 1 1
196 1 1 1 1 12 SER H . 11 . HN 1 1
196 1 2 1 1 13 NH2 HN1 . 12 . HN1 1 1
197 1 1 1 1 12 SER H . 11 . HN 1 1
197 1 2 1 1 13 NH2 HN2 . 12 . HN2 1 1
198 1 1 1 1 12 SER HA . 11 . HA 1 1
198 1 2 1 1 13 NH2 HN1 . 12 . HN1 1 1
199 1 1 1 1 12 SER HA . 11 . HA 1 1
199 1 2 1 1 13 NH2 HN2 . 12 . HN2 1 1
200 1 1 1 1 12 SER QB . 11 . HB1 1 1
200 1 2 1 1 13 NH2 HN1 . 12 . HN1 1 1
201 1 1 1 1 12 SER QB . 11 . HB2 1 1
201 1 2 1 1 13 NH2 HN2 . 12 . HN2 1 1
202 1 1 1 1 13 NH2 HN1 . 12 . HN1 1 1
202 1 2 1 1 13 NH2 HN2 . 12 . HN2 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 0.0 -1.8 2.9718 1 1
2 1 . . . . . 0.0 -1.8 2.73536 1 1
3 1 . . . . . 0.0 -1.8 3.73171 1 1
4 1 . . . . . 0.0 -1.8 4.88175 1 1
5 1 . . . . . 0.0 -1.8 3.10728 1 1
6 1 . . . . . 0.0 -1.8 3.11628 1 1
7 1 . . . . . 0.0 -1.8 4.46033 1 1
8 1 . . . . . 0.0 -1.8 3.60838 1 1
9 1 . . . . . 0.0 -1.8 4.95886 1 1
10 1 . . . . . 0.0 -1.8 4.97819 1 1
11 1 . . . . . 0.0 -1.8 4.72798 1 1
12 1 . . . . . 0.0 -1.8 4.83189 1 1
13 1 . . . . . 0.0 -1.8 4.6828 1 1
14 1 . . . . . 0.0 -1.8 3.79663 1 1
15 1 . . . . . 0.0 -1.8 4.09321 1 1
16 1 . . . . . 0.0 -1.8 3.71303 1 1
17 1 . . . . . 0.0 -1.8 3.88351 1 1
18 1 . . . . . 0.0 -1.8 4.58699 1 1
19 1 . . . . . 0.0 -1.8 4.88735 1 1
20 1 . . . . . 0.0 -1.8 2.95217 1 1
21 1 . . . . . 0.0 -1.8 2.91468 1 1
22 1 . . . . . 0.0 -1.8 4.33937 1 1
23 1 . . . . . 0.0 -1.8 3.69964 1 1
24 1 . . . . . 0.0 -1.8 3.30808 1 1
25 1 . . . . . 0.0 -1.8 4.69393 1 1
26 1 . . . . . 0.0 -1.8 4.92121 1 1
27 1 . . . . . 0.0 -1.8 3.94478 1 1
28 1 . . . . . 0.0 -1.8 3.65734 1 1
29 1 . . . . . 0.0 -1.8 3.70423 1 1
30 1 . . . . . 0.0 -1.8 3.87427 1 1
31 1 . . . . . 0.0 -1.8 3.6036 1 1
32 1 . . . . . 0.0 -1.8 4.92894 1 1
33 1 . . . . . 0.0 -1.8 2.54589 1 1
34 1 . . . . . 0.0 -1.8 4.67831 1 1
35 1 . . . . . 0.0 -1.8 4.77966 1 1
36 1 . . . . . 0.0 -1.8 3.48056 1 1
37 1 . . . . . 0.0 -1.8 4.08257 1 1
38 1 . . . . . 0.0 -1.8 4.83558 1 1
39 1 . . . . . 0.0 -1.8 2.46464 1 1
40 1 . . . . . 0.0 -1.8 2.44065 1 1
41 1 . . . . . 0.0 -1.8 2.43481 1 1
42 1 . . . . . 0.0 -1.8 4.94282 1 1
43 1 . . . . . 0.0 -1.8 3.72647 1 1
44 1 . . . . . 0.0 -1.8 3.76553 1 1
45 1 . . . . . 0.0 -1.8 4.78311 1 1
46 1 . . . . . 0.0 -1.8 4.71515 1 1
47 1 . . . . . 0.0 -1.8 3.29044 1 1
48 1 . . . . . 0.0 -1.8 4.29309 1 1
49 1 . . . . . 0.0 -1.8 2.86657 1 1
50 1 . . . . . 0.0 -1.8 2.72595 1 1
51 1 . . . . . 0.0 -1.8 2.92805 1 1
52 1 . . . . . 0.0 -1.8 3.94734 1 1
53 1 . . . . . 0.0 -1.8 4.67415 1 1
54 1 . . . . . 0.0 -1.8 4.65369 1 1
55 1 . . . . . 0.0 -1.8 4.53409 1 1
56 1 . . . . . 0.0 -1.8 2.76424 1 1
57 1 . . . . . 0.0 -1.8 3.10632 1 1
58 1 . . . . . 0.0 -1.8 3.20293 1 1
59 1 . . . . . 0.0 -1.8 3.93605 1 1
60 1 . . . . . 0.0 -1.8 3.63823 1 1
61 1 . . . . . 0.0 -1.8 4.96674 1 1
62 1 . . . . . 0.0 -1.8 4.46389 1 1
63 1 . . . . . 0.0 -1.8 4.98019 1 1
64 1 . . . . . 0.0 -1.8 3.80962 1 1
65 1 . . . . . 0.0 -1.8 4.3448 1 1
66 1 . . . . . 0.0 -1.8 2.53459 1 1
67 1 . . . . . 0.0 -1.8 2.87818 1 1
68 1 . . . . . 0.0 -1.8 4.34301 1 1
69 1 . . . . . 0.0 -1.8 2.63965 1 1
70 1 . . . . . 0.0 -1.8 3.34134 1 1
71 1 . . . . . 0.0 -1.8 4.23601 1 1
72 1 . . . . . 0.0 -1.8 4.46595 1 1
73 1 . . . . . 0.0 -1.8 2.19819 1 1
74 1 . . . . . 0.0 -1.8 4.01512 1 1
75 1 . . . . . 0.0 -1.8 4.95975 1 1
76 1 . . . . . 0.0 -1.8 4.74928 1 1
77 1 . . . . . 0.0 -1.8 4.06651 1 1
78 1 . . . . . 0.0 -1.8 3.59598 1 1
79 1 . . . . . 0.0 -1.8 4.5868 1 1
80 1 . . . . . 0.0 -1.8 4.65382 1 1
81 1 . . . . . 0.0 -1.8 4.40825 1 1
82 1 . . . . . 0.0 -1.8 2.99147 1 1
83 1 . . . . . 0.0 -1.8 2.47933 1 1
84 1 . . . . . 0.0 -1.8 4.85198 1 1
85 1 . . . . . 0.0 -1.8 2.91305 1 1
86 1 . . . . . 0.0 -1.8 4.68783 1 1
87 1 . . . . . 0.0 -1.8 4.35378 1 1
88 1 . . . . . 0.0 -1.8 4.94228 1 1
89 1 . . . . . 0.0 -1.8 2.59412 1 1
90 1 . . . . . 0.0 -1.8 4.30782 1 1
91 1 . . . . . 0.0 -1.8 3.65816 1 1
92 1 . . . . . 0.0 -1.8 4.98193 1 1
93 1 . . . . . 0.0 -1.8 4.25547 1 1
94 1 . . . . . 0.0 -1.8 3.86125 1 1
95 1 . . . . . 0.0 -1.8 3.85328 1 1
96 1 . . . . . 0.0 -1.8 4.80348 1 1
97 1 . . . . . 0.0 -1.8 3.32936 1 1
98 1 . . . . . 0.0 -1.8 4.65181 1 1
99 1 . . . . . 0.0 -1.8 3.11285 1 1
100 1 . . . . . 0.0 -1.8 4.11829 1 1
101 1 . . . . . 0.0 -1.8 4.66623 1 1
102 1 . . . . . 0.0 -1.8 4.7647 1 1
103 1 . . . . . 0.0 -1.8 4.80755 1 1
104 1 . . . . . 0.0 -1.8 4.89019 1 1
105 1 . . . . . 0.0 -1.8 4.94106 1 1
106 1 . . . . . 0.0 -1.8 4.56774 1 1
107 1 . . . . . 0.0 -1.8 4.97847 1 1
108 1 . . . . . 0.0 -1.8 4.81454 1 1
109 1 . . . . . 0.0 -1.8 4.97258 1 1
110 1 . . . . . 0.0 -1.8 2.95022 1 1
111 1 . . . . . 0.0 -1.8 2.84213 1 1
112 1 . . . . . 0.0 -1.8 3.51075 1 1
113 1 . . . . . 0.0 -1.8 3.04245 1 1
114 1 . . . . . 0.0 -1.8 4.10297 1 1
115 1 . . . . . 0.0 -1.8 4.90602 1 1
116 1 . . . . . 0.0 -1.8 2.82842 1 1
117 1 . . . . . 0.0 -1.8 3.70501 1 1
118 1 . . . . . 0.0 -1.8 4.25187 1 1
119 1 . . . . . 0.0 -1.8 3.72288 1 1
120 1 . . . . . 0.0 -1.8 3.56591 1 1
121 1 . . . . . 0.0 -1.8 4.70238 1 1
122 1 . . . . . 0.0 -1.8 4.4043 1 1
123 1 . . . . . 0.0 -1.8 4.46271 1 1
124 1 . . . . . 0.0 -1.8 4.37966 1 1
125 1 . . . . . 0.0 -1.8 3.15098 1 1
126 1 . . . . . 0.0 -1.8 4.87161 1 1
127 1 . . . . . 0.0 -1.8 4.60023 1 1
128 1 . . . . . 0.0 -1.8 3.54719 1 1
129 1 . . . . . 0.0 -1.8 4.58168 1 1
130 1 . . . . . 0.0 -1.8 3.16692 1 1
131 1 . . . . . 0.0 -1.8 4.58018 1 1
132 1 . . . . . 0.0 -1.8 4.67983 1 1
133 1 . . . . . 0.0 -1.8 2.92449 1 1
134 1 . . . . . 0.0 -1.8 2.64667 1 1
135 1 . . . . . 0.0 -1.8 3.90655 1 1
136 1 . . . . . 0.0 -1.8 4.63956 1 1
137 1 . . . . . 0.0 -1.8 4.81379 1 1
138 1 . . . . . 0.0 -1.8 3.0118 1 1
139 1 . . . . . 0.0 -1.8 3.86197 1 1
140 1 . . . . . 0.0 -1.8 3.63564 1 1
141 1 . . . . . 0.0 -1.8 4.96923 1 1
142 1 . . . . . 0.0 -1.8 4.63474 1 1
143 1 . . . . . 0.0 -1.8 4.44427 1 1
144 1 . . . . . 0.0 -1.8 2.50579 1 1
145 1 . . . . . 0.0 -1.8 2.70715 1 1
146 1 . . . . . 0.0 -1.8 3.1933 1 1
147 1 . . . . . 0.0 -1.8 4.38828 1 1
148 1 . . . . . 0.0 -1.8 4.77084 1 1
149 1 . . . . . 0.0 -1.8 3.97332 1 1
150 1 . . . . . 0.0 -1.8 2.16194 1 1
151 1 . . . . . 0.0 -1.8 2.20594 1 1
152 1 . . . . . 0.0 -1.8 4.13274 1 1
153 1 . . . . . 0.0 -1.8 4.52138 1 1
154 1 . . . . . 0.0 -1.8 4.08714 1 1
155 1 . . . . . 0.0 -1.8 4.35486 1 1
156 1 . . . . . 0.0 -1.8 4.94885 1 1
157 1 . . . . . 0.0 -1.8 2.98296 1 1
158 1 . . . . . 0.0 -1.8 2.92377 1 1
159 1 . . . . . 0.0 -1.8 3.73794 1 1
160 1 . . . . . 0.0 -1.8 3.1816 1 1
161 1 . . . . . 0.0 -1.8 3.01624 1 1
162 1 . . . . . 0.0 -1.8 4.84636 1 1
163 1 . . . . . 0.0 -1.8 3.90865 1 1
164 1 . . . . . 0.0 -1.8 4.96007 1 1
165 1 . . . . . 0.0 -1.8 3.05501 1 1
166 1 . . . . . 0.0 -1.8 2.86832 1 1
167 1 . . . . . 0.0 -1.8 3.00041 1 1
168 1 . . . . . 0.0 -1.8 3.66889 1 1
169 1 . . . . . 0.0 -1.8 4.93481 1 1
170 1 . . . . . 0.0 -1.8 4.79091 1 1
171 1 . . . . . 0.0 -1.8 4.76675 1 1
172 1 . . . . . 0.0 -1.8 2.42811 1 1
173 1 . . . . . 0.0 -1.8 3.37667 1 1
174 1 . . . . . 0.0 -1.8 4.7165 1 1
175 1 . . . . . 0.0 -1.8 4.9492 1 1
176 1 . . . . . 0.0 -1.8 4.51775 1 1
177 1 . . . . . 0.0 -1.8 2.45536 1 1
178 1 . . . . . 0.0 -1.8 3.81959 1 1
179 1 . . . . . 0.0 -1.8 4.54039 1 1
180 1 . . . . . 0.0 -1.8 2.80824 1 1
181 1 . . . . . 0.0 -1.8 3.6127 1 1
182 1 . . . . . 0.0 -1.8 4.22143 1 1
183 1 . . . . . 0.0 -1.8 2.94875 1 1
184 1 . . . . . 0.0 -1.8 3.24211 1 1
185 1 . . . . . 0.0 -1.8 2.89686 1 1
186 1 . . . . . 0.0 -1.8 3.00422 1 1
187 1 . . . . . 0.0 -1.8 4.92788 1 1
188 1 . . . . . 0.0 -1.8 3.08912 1 1
189 1 . . . . . 0.0 -1.8 3.13551 1 1
190 1 . . . . . 0.0 -1.8 3.51348 1 1
191 1 . . . . . 0.0 -1.8 4.869 1 1
192 1 . . . . . 0.0 -1.8 4.25701 1 1
193 1 . . . . . 0.0 -1.8 3.7834 1 1
194 1 . . . . . 0.0 -1.8 3.01581 1 1
195 1 . . . . . 0.0 -1.8 3.10996 1 1
196 1 . . . . . 0.0 -1.8 3.476 1 1
197 1 . . . . . 0.0 -1.8 4.19508 1 1
198 1 . . . . . 0.0 -1.8 3.72917 1 1
199 1 . . . . . 0.0 -1.8 4.21495 1 1
200 1 . . . . . 0.0 -1.8 4.3243 1 1
201 1 . . . . . 0.0 -1.8 4.67673 1 1
202 1 . . . . . 0.0 -1.8 1.82648 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 ACE C C 5.305 5.315 3.608 1.00 . A A . 0 ACE C 1 1
1 2 1 1 1 ACE CH3 C 6.587 5.077 4.382 1.00 . A A . 0 ACE CH3 1 1
1 3 1 1 1 ACE H1 H 6.859 5.976 4.915 1.00 . A A . 0 ACE H1 1 1
1 4 1 1 1 ACE H2 H 7.377 4.812 3.696 1.00 . A A . 0 ACE H2 1 1
1 5 1 1 1 ACE H3 H 6.437 4.272 5.087 1.00 . A A . 0 ACE H3 1 1
1 6 1 1 1 ACE O O 4.232 4.864 4.050 1.00 . A A . 0 ACE O 1 1
1 7 1 1 2 HIS C C 3.893 5.186 0.693 1.00 . A A . 1 HIS C 1 1
1 8 1 1 2 HIS CA C 4.323 6.398 1.546 1.00 . A A . 1 HIS CA 1 1
1 9 1 1 2 HIS CB C 4.728 7.594 0.650 1.00 . A A . 1 HIS CB 1 1
1 10 1 1 2 HIS CD2 C 3.330 8.468 -1.364 1.00 . A A . 1 HIS CD2 1 1
1 11 1 1 2 HIS CE1 C 1.684 9.384 -0.243 1.00 . A A . 1 HIS CE1 1 1
1 12 1 1 2 HIS CG C 3.582 8.282 -0.046 1.00 . A A . 1 HIS CG 1 1
1 13 1 1 2 HIS H H 6.342 6.360 2.206 1.00 . A A . 1 HIS H 1 1
1 14 1 1 2 HIS HA H 3.489 6.698 2.165 1.00 . A A . 1 HIS HA 1 1
1 15 1 1 2 HIS HB2 H 5.227 8.333 1.259 1.00 . A A . 1 HIS HB2 1 1
1 16 1 1 2 HIS HB3 H 5.414 7.250 -0.109 1.00 . A A . 1 HIS HB3 1 1
1 17 1 1 2 HIS HD1 H 2.425 8.898 1.602 1.00 . A A . 1 HIS HD1 1 1
1 18 1 1 2 HIS HD2 H 3.946 8.136 -2.189 1.00 . A A . 1 HIS HD2 1 1
1 19 1 1 2 HIS HE1 H 0.771 9.908 -0.002 1.00 . A A . 1 HIS HE1 1 1
1 20 1 1 2 HIS HE2 H 1.736 9.475 -2.289 1.00 . A A . 1 HIS HE2 1 1
1 21 1 1 2 HIS N N 5.443 6.045 2.445 1.00 . A A . 1 HIS N 1 1
1 22 1 1 2 HIS ND1 N 2.533 8.868 0.629 1.00 . A A . 1 HIS ND1 1 1
1 23 1 1 2 HIS NE2 N 2.145 9.155 -1.458 1.00 . A A . 1 HIS NE2 1 1
1 24 1 1 2 HIS O O 2.706 5.103 0.321 1.00 . A A . 1 HIS O 1 1
1 25 1 1 3 LYS C C 3.839 1.989 0.262 1.00 . A A . 2 LYS C 1 1
1 26 1 1 3 LYS CA C 4.669 3.055 -0.439 1.00 . A A . 2 LYS CA 1 1
1 27 1 1 3 LYS CB C 5.989 2.421 -0.896 1.00 . A A . 2 LYS CB 1 1
1 28 1 1 3 LYS CD C 7.961 2.460 -2.441 1.00 . A A . 2 LYS CD 1 1
1 29 1 1 3 LYS CE C 8.757 3.266 -3.459 1.00 . A A . 2 LYS CE 1 1
1 30 1 1 3 LYS CG C 6.736 3.217 -1.951 1.00 . A A . 2 LYS CG 1 1
1 31 1 1 3 LYS H H 5.787 4.444 0.729 1.00 . A A . 2 LYS H 1 1
1 32 1 1 3 LYS HA H 4.125 3.368 -1.317 1.00 . A A . 2 LYS HA 1 1
1 33 1 1 3 LYS HB2 H 6.636 2.296 -0.045 1.00 . A A . 2 LYS HB2 1 1
1 34 1 1 3 LYS HB3 H 5.772 1.446 -1.308 1.00 . A A . 2 LYS HB3 1 1
1 35 1 1 3 LYS HD2 H 8.595 2.240 -1.596 1.00 . A A . 2 LYS HD2 1 1
1 36 1 1 3 LYS HD3 H 7.638 1.536 -2.900 1.00 . A A . 2 LYS HD3 1 1
1 37 1 1 3 LYS HE2 H 9.070 4.193 -3.001 1.00 . A A . 2 LYS HE2 1 1
1 38 1 1 3 LYS HE3 H 9.630 2.696 -3.744 1.00 . A A . 2 LYS HE3 1 1
1 39 1 1 3 LYS HG2 H 6.077 3.395 -2.789 1.00 . A A . 2 LYS HG2 1 1
1 40 1 1 3 LYS HG3 H 7.052 4.158 -1.534 1.00 . A A . 2 LYS HG3 1 1
1 41 1 1 3 LYS HZ1 H 8.431 3.188 -5.523 1.00 . A A . 2 LYS HZ1 1 1
1 42 1 1 3 LYS HZ2 H 7.860 4.603 -4.793 1.00 . A A . 2 LYS HZ2 1 1
1 43 1 1 3 LYS HZ3 H 7.011 3.153 -4.603 1.00 . A A . 2 LYS HZ3 1 1
1 44 1 1 3 LYS N N 4.887 4.272 0.388 1.00 . A A . 2 LYS N 1 1
1 45 1 1 3 LYS NZ N 7.959 3.574 -4.681 1.00 . A A . 2 LYS NZ 1 1
1 46 1 1 3 LYS O O 2.889 1.459 -0.334 1.00 . A A . 2 LYS O 1 1
1 47 1 1 4 . C C 2.001 0.633 2.254 1.00 . A A . 3 MK8 C 1 1
1 48 1 1 4 . CA C 3.577 0.533 2.375 1.00 . A A . 3 MK8 CA 1 1
1 49 1 1 4 . CB C 4.034 0.705 3.887 1.00 . A A . 3 MK8 CB 1 1
1 50 1 1 4 . CB1 C 4.157 -0.802 1.808 1.00 . A A . 3 MK8 CB1 1 1
1 51 1 1 4 . CD C 2.023 0.196 5.428 1.00 . A A . 3 MK8 CD 1 1
1 52 1 1 4 . CE C 1.154 -0.812 6.250 1.00 . A A . 3 MK8 CE 1 1
1 53 1 1 4 . CG C 3.423 -0.224 5.000 1.00 . A A . 3 MK8 CG 1 1
1 54 1 1 4 . HB H 3.824 1.727 4.174 1.00 . A A . 3 MK8 HB 1 1
1 55 1 1 4 . HB1 H 4.427 -0.664 0.771 1.00 . A A . 3 MK8 HB1 1 1
1 56 1 1 4 . HB1A H 3.417 -1.582 1.888 1.00 . A A . 3 MK8 HB1A 1 1
1 57 1 1 4 . HB1B H 5.035 -1.079 2.375 1.00 . A A . 3 MK8 HB1B 1 1
1 58 1 1 4 . HBA H 5.102 0.570 3.922 1.00 . A A . 3 MK8 HBA 1 1
1 59 1 1 4 . HD H 1.479 0.451 4.531 1.00 . A A . 3 MK8 HD 1 1
1 60 1 1 4 . HDA H 2.124 1.088 6.022 1.00 . A A . 3 MK8 HDA 1 1
1 61 1 1 4 . HE H 1.311 -0.817 7.320 1.00 . A A . 3 MK8 HE 1 1
1 62 1 1 4 . HG H 4.077 -0.201 5.862 1.00 . A A . 3 MK8 HG 1 1
1 63 1 1 4 . HGA H 3.375 -1.232 4.619 1.00 . A A . 3 MK8 HGA 1 1
1 64 1 1 4 . HN H 5.018 2.052 1.930 1.00 . A A . 3 MK8 HN 1 1
1 65 1 1 4 . N N 4.234 1.616 1.549 1.00 . A A . 3 MK8 N 1 1
1 66 1 1 4 . O O 1.285 -0.393 2.287 1.00 . A A . 3 MK8 O 1 1
1 67 1 1 5 LEU C C -0.504 1.705 0.678 1.00 . A A . 4 LEU C 1 1
1 68 1 1 5 LEU CA C 0.068 2.262 1.978 1.00 . A A . 4 LEU CA 1 1
1 69 1 1 5 LEU CB C -0.197 3.809 2.051 1.00 . A A . 4 LEU CB 1 1
1 70 1 1 5 LEU CD1 C -2.829 3.905 1.860 1.00 . A A . 4 LEU CD1 1 1
1 71 1 1 5 LEU CD2 C -1.746 4.086 4.120 1.00 . A A . 4 LEU CD2 1 1
1 72 1 1 5 LEU CG C -1.573 4.367 2.623 1.00 . A A . 4 LEU CG 1 1
1 73 1 1 5 LEU H H 2.159 2.671 2.081 1.00 . A A . 4 LEU H 1 1
1 74 1 1 5 LEU HA H -0.443 1.787 2.798 1.00 . A A . 4 LEU HA 1 1
1 75 1 1 5 LEU HB2 H 0.588 4.240 2.651 1.00 . A A . 4 LEU HB2 1 1
1 76 1 1 5 LEU HB3 H -0.087 4.196 1.048 1.00 . A A . 4 LEU HB3 1 1
1 77 1 1 5 LEU HD11 H -3.658 4.551 2.107 1.00 . A A . 4 LEU HD11 1 1
1 78 1 1 5 LEU HD12 H -3.066 2.890 2.147 1.00 . A A . 4 LEU HD12 1 1
1 79 1 1 5 LEU HD13 H -2.640 3.944 0.800 1.00 . A A . 4 LEU HD13 1 1
1 80 1 1 5 LEU HD21 H -2.449 3.275 4.254 1.00 . A A . 4 LEU HD21 1 1
1 81 1 1 5 LEU HD22 H -2.125 4.972 4.610 1.00 . A A . 4 LEU HD22 1 1
1 82 1 1 5 LEU HD23 H -0.795 3.815 4.550 1.00 . A A . 4 LEU HD23 1 1
1 83 1 1 5 LEU HG H -1.543 5.443 2.518 1.00 . A A . 4 LEU HG 1 1
1 84 1 1 5 LEU N N 1.511 1.931 2.105 1.00 . A A . 4 LEU N 1 1
1 85 1 1 5 LEU O O -1.522 0.991 0.722 1.00 . A A . 4 LEU O 1 1
1 86 1 1 6 HIS C C -0.389 0.048 -1.881 1.00 . A A . 5 HIS C 1 1
1 87 1 1 6 HIS CA C -0.212 1.575 -1.845 1.00 . A A . 5 HIS CA 1 1
1 88 1 1 6 HIS CB C 0.844 1.989 -2.871 1.00 . A A . 5 HIS CB 1 1
1 89 1 1 6 HIS CD2 C 0.646 4.138 -4.320 1.00 . A A . 5 HIS CD2 1 1
1 90 1 1 6 HIS CE1 C 1.014 5.616 -2.743 1.00 . A A . 5 HIS CE1 1 1
1 91 1 1 6 HIS CG C 0.848 3.458 -3.163 1.00 . A A . 5 HIS CG 1 1
1 92 1 1 6 HIS H H 0.983 2.604 -0.411 1.00 . A A . 5 HIS H 1 1
1 93 1 1 6 HIS HA H -1.147 2.054 -2.105 1.00 . A A . 5 HIS HA 1 1
1 94 1 1 6 HIS HB2 H 1.821 1.723 -2.497 1.00 . A A . 5 HIS HB2 1 1
1 95 1 1 6 HIS HB3 H 0.660 1.464 -3.796 1.00 . A A . 5 HIS HB3 1 1
1 96 1 1 6 HIS HD1 H 1.259 4.237 -1.250 1.00 . A A . 5 HIS HD1 1 1
1 97 1 1 6 HIS HD2 H 0.435 3.709 -5.291 1.00 . A A . 5 HIS HD2 1 1
1 98 1 1 6 HIS HE1 H 1.153 6.554 -2.226 1.00 . A A . 5 HIS HE1 1 1
1 99 1 1 6 HIS HE2 H 0.710 6.206 -4.681 1.00 . A A . 5 HIS HE2 1 1
1 100 1 1 6 HIS N N 0.182 2.036 -0.486 1.00 . A A . 5 HIS N 1 1
1 101 1 1 6 HIS ND1 N 1.077 4.414 -2.196 1.00 . A A . 5 HIS ND1 1 1
1 102 1 1 6 HIS NE2 N 0.755 5.475 -4.029 1.00 . A A . 5 HIS NE2 1 1
1 103 1 1 6 HIS O O -1.198 -0.469 -2.670 1.00 . A A . 5 HIS O 1 1
1 104 1 1 7 GLN C C -0.789 -2.740 -0.245 1.00 . A A . 6 GLN C 1 1
1 105 1 1 7 GLN CA C 0.462 -2.117 -0.884 1.00 . A A . 6 GLN CA 1 1
1 106 1 1 7 GLN CB C 1.710 -2.587 -0.117 1.00 . A A . 6 GLN CB 1 1
1 107 1 1 7 GLN CD C 2.893 -3.933 -1.930 1.00 . A A . 6 GLN CD 1 1
1 108 1 1 7 GLN CG C 2.968 -2.753 -0.976 1.00 . A A . 6 GLN CG 1 1
1 109 1 1 7 GLN H H 1.048 -0.111 -0.465 1.00 . A A . 6 GLN H 1 1
1 110 1 1 7 GLN HA H 0.536 -2.505 -1.890 1.00 . A A . 6 GLN HA 1 1
1 111 1 1 7 GLN HB2 H 1.929 -1.876 0.660 1.00 . A A . 6 GLN HB2 1 1
1 112 1 1 7 GLN HB3 H 1.490 -3.539 0.341 1.00 . A A . 6 GLN HB3 1 1
1 113 1 1 7 GLN HE21 H 4.515 -4.738 -1.110 1.00 . A A . 6 GLN HE21 1 1
1 114 1 1 7 GLN HE22 H 3.804 -5.629 -2.404 1.00 . A A . 6 GLN HE22 1 1
1 115 1 1 7 GLN HG2 H 3.117 -1.860 -1.557 1.00 . A A . 6 GLN HG2 1 1
1 116 1 1 7 GLN HG3 H 3.814 -2.896 -0.321 1.00 . A A . 6 GLN HG3 1 1
1 117 1 1 7 GLN N N 0.428 -0.640 -1.010 1.00 . A A . 6 GLN N 1 1
1 118 1 1 7 GLN NE2 N 3.832 -4.860 -1.802 1.00 . A A . 6 GLN NE2 1 1
1 119 1 1 7 GLN O O -1.435 -3.569 -0.909 1.00 . A A . 6 GLN O 1 1
1 120 1 1 7 GLN OE1 O 2.002 -4.005 -2.776 1.00 . A A . 6 GLN OE1 1 1
1 121 1 1 8 . C C -3.580 -2.948 0.972 1.00 . A A . 7 MK8 C 1 1
1 122 1 1 8 . CA C -2.273 -2.967 1.845 1.00 . A A . 7 MK8 CA 1 1
1 123 1 1 8 . CB C -2.598 -2.192 3.173 1.00 . A A . 7 MK8 CB 1 1
1 124 1 1 8 . CB1 C -1.879 -4.388 2.283 1.00 . A A . 7 MK8 CB1 1 1
1 125 1 1 8 . CD C -0.252 -1.935 4.298 1.00 . A A . 7 MK8 CD 1 1
1 126 1 1 8 . CE C 0.199 -1.705 5.773 1.00 . A A . 7 MK8 CE 1 1
1 127 1 1 8 . CG C -1.538 -1.250 3.813 1.00 . A A . 7 MK8 CG 1 1
1 128 1 1 8 . HB H -2.859 -2.932 3.918 1.00 . A A . 7 MK8 HB 1 1
1 129 1 1 8 . HB1 H -2.323 -5.106 1.613 1.00 . A A . 7 MK8 HB1 1 1
1 130 1 1 8 . HB1A H -2.233 -4.564 3.289 1.00 . A A . 7 MK8 HB1A 1 1
1 131 1 1 8 . HB1B H -0.804 -4.485 2.259 1.00 . A A . 7 MK8 HB1B 1 1
1 132 1 1 8 . HBA H -3.475 -1.591 2.996 1.00 . A A . 7 MK8 HBA 1 1
1 133 1 1 8 . HD H 0.551 -1.602 3.651 1.00 . A A . 7 MK8 HD 1 1
1 134 1 1 8 . HDA H -0.373 -2.993 4.157 1.00 . A A . 7 MK8 HDA 1 1
1 135 1 1 8 . HE H -0.291 -2.314 6.515 1.00 . A A . 7 MK8 HE 1 1
1 136 1 1 8 . HG H -2.004 -0.771 4.663 1.00 . A A . 7 MK8 HG 1 1
1 137 1 1 8 . HGA H -1.272 -0.502 3.100 1.00 . A A . 7 MK8 HGA 1 1
1 138 1 1 8 . HN H -0.533 -1.754 1.556 1.00 . A A . 7 MK8 HN 1 1
1 139 1 1 8 . N N -1.108 -2.387 1.075 1.00 . A A . 7 MK8 N 1 1
1 140 1 1 8 . O O -4.535 -3.723 1.215 1.00 . A A . 7 MK8 O 1 1
1 141 1 1 9 LEU C C -5.041 -2.932 -1.871 1.00 . A A . 8 LEU C 1 1
1 142 1 1 9 LEU CA C -4.743 -1.743 -0.944 1.00 . A A . 8 LEU CA 1 1
1 143 1 1 9 LEU CB C -4.497 -0.463 -1.819 1.00 . A A . 8 LEU CB 1 1
1 144 1 1 9 LEU CD1 C -6.836 -0.188 -3.017 1.00 . A A . 8 LEU CD1 1 1
1 145 1 1 9 LEU CD2 C -6.263 1.238 -1.011 1.00 . A A . 8 LEU CD2 1 1
1 146 1 1 9 LEU CG C -5.699 0.488 -2.221 1.00 . A A . 8 LEU CG 1 1
1 147 1 1 9 LEU H H -2.823 -1.400 -0.099 1.00 . A A . 8 LEU H 1 1
1 148 1 1 9 LEU HA H -5.616 -1.570 -0.332 1.00 . A A . 8 LEU HA 1 1
1 149 1 1 9 LEU HB2 H -3.785 0.149 -1.291 1.00 . A A . 8 LEU HB2 1 1
1 150 1 1 9 LEU HB3 H -4.027 -0.792 -2.735 1.00 . A A . 8 LEU HB3 1 1
1 151 1 1 9 LEU HD11 H -6.900 0.252 -4.001 1.00 . A A . 8 LEU HD11 1 1
1 152 1 1 9 LEU HD12 H -7.772 -0.046 -2.498 1.00 . A A . 8 LEU HD12 1 1
1 153 1 1 9 LEU HD13 H -6.632 -1.245 -3.107 1.00 . A A . 8 LEU HD13 1 1
1 154 1 1 9 LEU HD21 H -7.264 0.890 -0.806 1.00 . A A . 8 LEU HD21 1 1
1 155 1 1 9 LEU HD22 H -6.286 2.296 -1.224 1.00 . A A . 8 LEU HD22 1 1
1 156 1 1 9 LEU HD23 H -5.635 1.057 -0.151 1.00 . A A . 8 LEU HD23 1 1
1 157 1 1 9 LEU HG H -5.293 1.243 -2.879 1.00 . A A . 8 LEU HG 1 1
1 158 1 1 9 LEU N N -3.600 -1.984 -0.020 1.00 . A A . 8 LEU N 1 1
1 159 1 1 9 LEU O O -6.229 -3.227 -2.107 1.00 . A A . 8 LEU O 1 1
1 160 1 1 10 GLN C C -4.284 -6.054 -2.686 1.00 . A A . 9 GLN C 1 1
1 161 1 1 10 GLN CA C -4.035 -4.710 -3.376 1.00 . A A . 9 GLN CA 1 1
1 162 1 1 10 GLN CB C -2.768 -4.804 -4.252 1.00 . A A . 9 GLN CB 1 1
1 163 1 1 10 GLN CD C -3.630 -3.759 -6.418 1.00 . A A . 9 GLN CD 1 1
1 164 1 1 10 GLN CG C -2.614 -3.686 -5.284 1.00 . A A . 9 GLN CG 1 1
1 165 1 1 10 GLN H H -3.053 -3.238 -2.189 1.00 . A A . 9 GLN H 1 1
1 166 1 1 10 GLN HA H -4.876 -4.511 -4.022 1.00 . A A . 9 GLN HA 1 1
1 167 1 1 10 GLN HB2 H -1.900 -4.783 -3.613 1.00 . A A . 9 GLN HB2 1 1
1 168 1 1 10 GLN HB3 H -2.784 -5.747 -4.780 1.00 . A A . 9 GLN HB3 1 1
1 169 1 1 10 GLN HE21 H -2.165 -3.770 -7.768 1.00 . A A . 9 GLN HE21 1 1
1 170 1 1 10 GLN HE22 H -3.771 -3.838 -8.405 1.00 . A A . 9 GLN HE22 1 1
1 171 1 1 10 GLN HG2 H -2.727 -2.737 -4.786 1.00 . A A . 9 GLN HG2 1 1
1 172 1 1 10 GLN HG3 H -1.622 -3.748 -5.710 1.00 . A A . 9 GLN HG3 1 1
1 173 1 1 10 GLN N N -3.942 -3.573 -2.420 1.00 . A A . 9 GLN N 1 1
1 174 1 1 10 GLN NE2 N -3.139 -3.793 -7.655 1.00 . A A . 9 GLN NE2 1 1
1 175 1 1 10 GLN O O -5.060 -6.868 -3.225 1.00 . A A . 9 GLN O 1 1
1 176 1 1 10 GLN OE1 O -4.837 -3.774 -6.183 1.00 . A A . 9 GLN OE1 1 1
1 177 1 1 11 ASP C C -5.131 -7.626 -0.080 1.00 . A A . 10 ASP C 1 1
1 178 1 1 11 ASP CA C -3.726 -7.506 -0.690 1.00 . A A . 10 ASP CA 1 1
1 179 1 1 11 ASP CB C -2.631 -7.542 0.401 1.00 . A A . 10 ASP CB 1 1
1 180 1 1 11 ASP CG C -2.647 -8.811 1.244 1.00 . A A . 10 ASP CG 1 1
1 181 1 1 11 ASP H H -3.030 -5.554 -1.166 1.00 . A A . 10 ASP H 1 1
1 182 1 1 11 ASP HA H -3.576 -8.342 -1.362 1.00 . A A . 10 ASP HA 1 1
1 183 1 1 11 ASP HB2 H -1.661 -7.476 -0.072 1.00 . A A . 10 ASP HB2 1 1
1 184 1 1 11 ASP HB3 H -2.758 -6.696 1.056 1.00 . A A . 10 ASP HB3 1 1
1 185 1 1 11 ASP N N -3.613 -6.266 -1.496 1.00 . A A . 10 ASP N 1 1
1 186 1 1 11 ASP O O -5.708 -8.730 -0.082 1.00 . A A . 10 ASP O 1 1
1 187 1 1 11 ASP OD1 O -2.495 -9.907 0.669 1.00 . A A . 10 ASP OD1 1 1
1 188 1 1 11 ASP OD2 O -2.815 -8.702 2.476 1.00 . A A . 10 ASP OD2 1 1
1 189 1 1 12 SER C C -8.083 -6.169 0.025 1.00 . A A . 11 SER C 1 1
1 190 1 1 12 SER CA C -6.978 -6.347 1.080 1.00 . A A . 11 SER CA 1 1
1 191 1 1 12 SER CB C -6.967 -5.176 2.083 1.00 . A A . 11 SER CB 1 1
1 192 1 1 12 SER H H -5.097 -5.655 0.386 1.00 . A A . 11 SER H 1 1
1 193 1 1 12 SER HA H -7.165 -7.267 1.620 1.00 . A A . 11 SER HA 1 1
1 194 1 1 12 SER HB2 H -6.956 -4.238 1.547 1.00 . A A . 11 SER HB2 1 1
1 195 1 1 12 SER HB3 H -7.845 -5.220 2.715 1.00 . A A . 11 SER HB3 1 1
1 196 1 1 12 SER HG H -5.984 -5.819 3.653 1.00 . A A . 11 SER HG 1 1
1 197 1 1 12 SER N N -5.648 -6.461 0.441 1.00 . A A . 11 SER N 1 1
1 198 1 1 12 SER O O -9.250 -5.956 0.361 1.00 . A A . 11 SER O 1 1
1 199 1 1 12 SER OG O -5.816 -5.235 2.910 1.00 . A A . 11 SER OG 1 1
1 200 1 1 13 NH2 HN1 H -6.804 -6.577 -1.457 1.00 . A A . 12 NH2 HN1 1 1
1 201 1 1 13 NH2 HN2 H -8.431 -6.257 -1.945 1.00 . A A . 12 NH2 HN2 1 1
1 202 1 1 13 NH2 N N -7.735 -6.349 -1.255 1.00 . A A . 12 NH2 N 1 1
2 203 1 1 1 ACE C C 4.927 5.568 3.396 1.00 . A A . 0 ACE C 1 1
2 204 1 1 1 ACE CH3 C 6.201 5.531 4.214 1.00 . A A . 0 ACE CH3 1 1
2 205 1 1 1 ACE H1 H 6.367 4.527 4.575 1.00 . A A . 0 ACE H1 1 1
2 206 1 1 1 ACE H2 H 6.111 6.206 5.052 1.00 . A A . 0 ACE H2 1 1
2 207 1 1 1 ACE H3 H 7.034 5.834 3.596 1.00 . A A . 0 ACE H3 1 1
2 208 1 1 1 ACE O O 3.912 4.982 3.820 1.00 . A A . 0 ACE O 1 1
2 209 1 1 2 HIS C C 3.655 5.169 0.448 1.00 . A A . 1 HIS C 1 1
2 210 1 1 2 HIS CA C 3.879 6.450 1.275 1.00 . A A . 1 HIS CA 1 1
2 211 1 1 2 HIS CB C 4.147 7.659 0.356 1.00 . A A . 1 HIS CB 1 1
2 212 1 1 2 HIS CD2 C 2.635 8.304 -1.661 1.00 . A A . 1 HIS CD2 1 1
2 213 1 1 2 HIS CE1 C 0.926 9.099 -0.542 1.00 . A A . 1 HIS CE1 1 1
2 214 1 1 2 HIS CG C 2.927 8.194 -0.342 1.00 . A A . 1 HIS CG 1 1
2 215 1 1 2 HIS H H 5.858 6.708 1.996 1.00 . A A . 1 HIS H 1 1
2 216 1 1 2 HIS HA H 2.992 6.647 1.858 1.00 . A A . 1 HIS HA 1 1
2 217 1 1 2 HIS HB2 H 4.562 8.462 0.947 1.00 . A A . 1 HIS HB2 1 1
2 218 1 1 2 HIS HB3 H 4.863 7.378 -0.402 1.00 . A A . 1 HIS HB3 1 1
2 219 1 1 2 HIS HD1 H 1.741 8.763 1.305 1.00 . A A . 1 HIS HD1 1 1
2 220 1 1 2 HIS HD2 H 3.267 8.004 -2.485 1.00 . A A . 1 HIS HD2 1 1
2 221 1 1 2 HIS HE1 H -0.032 9.540 -0.302 1.00 . A A . 1 HIS HE1 1 1
2 222 1 1 2 HIS HE2 H 0.881 8.994 -2.586 1.00 . A A . 1 HIS HE2 1 1
2 223 1 1 2 HIS N N 5.004 6.279 2.217 1.00 . A A . 1 HIS N 1 1
2 224 1 1 2 HIS ND1 N 1.835 8.702 0.332 1.00 . A A . 1 HIS ND1 1 1
2 225 1 1 2 HIS NE2 N 1.387 8.869 -1.756 1.00 . A A . 1 HIS NE2 1 1
2 226 1 1 2 HIS O O 2.524 4.935 -0.013 1.00 . A A . 1 HIS O 1 1
2 227 1 1 3 LYS C C 3.999 1.941 0.182 1.00 . A A . 2 LYS C 1 1
2 228 1 1 3 LYS CA C 4.760 3.092 -0.510 1.00 . A A . 2 LYS CA 1 1
2 229 1 1 3 LYS CB C 6.191 2.626 -0.845 1.00 . A A . 2 LYS CB 1 1
2 230 1 1 3 LYS CD C 8.270 2.872 -2.243 1.00 . A A . 2 LYS CD 1 1
2 231 1 1 3 LYS CE C 9.028 3.712 -3.267 1.00 . A A . 2 LYS CE 1 1
2 232 1 1 3 LYS CG C 6.918 3.478 -1.884 1.00 . A A . 2 LYS CG 1 1
2 233 1 1 3 LYS H H 5.609 4.654 0.672 1.00 . A A . 2 LYS H 1 1
2 234 1 1 3 LYS HA H 4.255 3.304 -1.439 1.00 . A A . 2 LYS HA 1 1
2 235 1 1 3 LYS HB2 H 6.781 2.623 0.057 1.00 . A A . 2 LYS HB2 1 1
2 236 1 1 3 LYS HB3 H 6.140 1.617 -1.223 1.00 . A A . 2 LYS HB3 1 1
2 237 1 1 3 LYS HD2 H 8.867 2.796 -1.347 1.00 . A A . 2 LYS HD2 1 1
2 238 1 1 3 LYS HD3 H 8.110 1.885 -2.652 1.00 . A A . 2 LYS HD3 1 1
2 239 1 1 3 LYS HE2 H 9.195 4.697 -2.858 1.00 . A A . 2 LYS HE2 1 1
2 240 1 1 3 LYS HE3 H 9.982 3.241 -3.461 1.00 . A A . 2 LYS HE3 1 1
2 241 1 1 3 LYS HG2 H 6.313 3.536 -2.777 1.00 . A A . 2 LYS HG2 1 1
2 242 1 1 3 LYS HG3 H 7.075 4.469 -1.488 1.00 . A A . 2 LYS HG3 1 1
2 243 1 1 3 LYS HZ1 H 8.939 4.101 -5.319 1.00 . A A . 2 LYS HZ1 1 1
2 244 1 1 3 LYS HZ2 H 7.553 4.574 -4.471 1.00 . A A . 2 LYS HZ2 1 1
2 245 1 1 3 LYS HZ3 H 7.830 2.936 -4.793 1.00 . A A . 2 LYS HZ3 1 1
2 246 1 1 3 LYS N N 4.766 4.363 0.268 1.00 . A A . 2 LYS N 1 1
2 247 1 1 3 LYS NZ N 8.285 3.840 -4.553 1.00 . A A . 2 LYS NZ 1 1
2 248 1 1 3 LYS O O 3.224 1.219 -0.479 1.00 . A A . 2 LYS O 1 1
2 249 1 1 4 . C C 2.088 0.512 2.066 1.00 . A A . 3 MK8 C 1 1
2 250 1 1 4 . CA C 3.646 0.606 2.363 1.00 . A A . 3 MK8 CA 1 1
2 251 1 1 4 . CB C 3.862 0.929 3.906 1.00 . A A . 3 MK8 CB 1 1
2 252 1 1 4 . CB1 C 4.461 -0.681 1.970 1.00 . A A . 3 MK8 CB1 1 1
2 253 1 1 4 . CD C 1.785 -0.031 5.194 1.00 . A A . 3 MK8 CD 1 1
2 254 1 1 4 . CE C 1.184 -0.738 6.430 1.00 . A A . 3 MK8 CE 1 1
2 255 1 1 4 . CG C 3.307 -0.046 5.022 1.00 . A A . 3 MK8 CG 1 1
2 256 1 1 4 . HB H 3.429 1.903 4.092 1.00 . A A . 3 MK8 HB 1 1
2 257 1 1 4 . HB1 H 3.876 -1.284 1.291 1.00 . A A . 3 MK8 HB1 1 1
2 258 1 1 4 . HB1A H 4.682 -1.253 2.858 1.00 . A A . 3 MK8 HB1A 1 1
2 259 1 1 4 . HB1B H 5.385 -0.390 1.491 1.00 . A A . 3 MK8 HB1B 1 1
2 260 1 1 4 . HBA H 4.923 1.009 4.072 1.00 . A A . 3 MK8 HBA 1 1
2 261 1 1 4 . HD H 1.361 -0.499 4.314 1.00 . A A . 3 MK8 HD 1 1
2 262 1 1 4 . HDA H 1.461 0.994 5.215 1.00 . A A . 3 MK8 HDA 1 1
2 263 1 1 4 . HE H 1.798 -0.758 7.319 1.00 . A A . 3 MK8 HE 1 1
2 264 1 1 4 . HG H 3.765 0.222 5.965 1.00 . A A . 3 MK8 HG 1 1
2 265 1 1 4 . HGA H 3.601 -1.052 4.768 1.00 . A A . 3 MK8 HGA 1 1
2 266 1 1 4 . HN H 4.902 2.308 1.982 1.00 . A A . 3 MK8 HN 1 1
2 267 1 1 4 . N N 4.256 1.724 1.539 1.00 . A A . 3 MK8 N 1 1
2 268 1 1 4 . O O 1.552 -0.544 1.647 1.00 . A A . 3 MK8 O 1 1
2 269 1 1 5 LEU C C -0.589 1.414 0.826 1.00 . A A . 4 LEU C 1 1
2 270 1 1 5 LEU CA C -0.102 1.808 2.219 1.00 . A A . 4 LEU CA 1 1
2 271 1 1 5 LEU CB C -0.591 3.227 2.599 1.00 . A A . 4 LEU CB 1 1
2 272 1 1 5 LEU CD1 C -2.533 2.895 4.244 1.00 . A A . 4 LEU CD1 1 1
2 273 1 1 5 LEU CD2 C -2.532 4.837 2.660 1.00 . A A . 4 LEU CD2 1 1
2 274 1 1 5 LEU CG C -2.116 3.387 2.850 1.00 . A A . 4 LEU CG 1 1
2 275 1 1 5 LEU H H 1.874 2.440 2.716 1.00 . A A . 4 LEU H 1 1
2 276 1 1 5 LEU HA H -0.537 1.112 2.915 1.00 . A A . 4 LEU HA 1 1
2 277 1 1 5 LEU HB2 H -0.074 3.530 3.498 1.00 . A A . 4 LEU HB2 1 1
2 278 1 1 5 LEU HB3 H -0.312 3.902 1.803 1.00 . A A . 4 LEU HB3 1 1
2 279 1 1 5 LEU HD11 H -1.718 3.039 4.937 1.00 . A A . 4 LEU HD11 1 1
2 280 1 1 5 LEU HD12 H -2.779 1.843 4.194 1.00 . A A . 4 LEU HD12 1 1
2 281 1 1 5 LEU HD13 H -3.397 3.449 4.579 1.00 . A A . 4 LEU HD13 1 1
2 282 1 1 5 LEU HD21 H -2.419 5.110 1.621 1.00 . A A . 4 LEU HD21 1 1
2 283 1 1 5 LEU HD22 H -1.909 5.474 3.270 1.00 . A A . 4 LEU HD22 1 1
2 284 1 1 5 LEU HD23 H -3.565 4.956 2.952 1.00 . A A . 4 LEU HD23 1 1
2 285 1 1 5 LEU HG H -2.652 2.795 2.124 1.00 . A A . 4 LEU HG 1 1
2 286 1 1 5 LEU N N 1.375 1.674 2.361 1.00 . A A . 4 LEU N 1 1
2 287 1 1 5 LEU O O -1.730 0.921 0.711 1.00 . A A . 4 LEU O 1 1
2 288 1 1 6 HIS C C -0.210 -0.233 -1.730 1.00 . A A . 5 HIS C 1 1
2 289 1 1 6 HIS CA C 0.007 1.280 -1.626 1.00 . A A . 5 HIS CA 1 1
2 290 1 1 6 HIS CB C 1.150 1.748 -2.534 1.00 . A A . 5 HIS CB 1 1
2 291 1 1 6 HIS CD2 C 0.761 3.313 -4.571 1.00 . A A . 5 HIS CD2 1 1
2 292 1 1 6 HIS CE1 C -0.097 1.845 -5.951 1.00 . A A . 5 HIS CE1 1 1
2 293 1 1 6 HIS CG C 0.723 2.120 -3.923 1.00 . A A . 5 HIS CG 1 1
2 294 1 1 6 HIS H H 1.176 2.004 -0.007 1.00 . A A . 5 HIS H 1 1
2 295 1 1 6 HIS HA H -0.903 1.784 -1.908 1.00 . A A . 5 HIS HA 1 1
2 296 1 1 6 HIS HB2 H 1.612 2.618 -2.090 1.00 . A A . 5 HIS HB2 1 1
2 297 1 1 6 HIS HB3 H 1.883 0.960 -2.609 1.00 . A A . 5 HIS HB3 1 1
2 298 1 1 6 HIS HD1 H 0.023 0.268 -4.648 1.00 . A A . 5 HIS HD1 1 1
2 299 1 1 6 HIS HD2 H 1.129 4.250 -4.174 1.00 . A A . 5 HIS HD2 1 1
2 300 1 1 6 HIS HE1 H -0.530 1.396 -6.832 1.00 . A A . 5 HIS HE1 1 1
2 301 1 1 6 HIS HE2 H 0.033 3.818 -6.471 1.00 . A A . 5 HIS HE2 1 1
2 302 1 1 6 HIS N N 0.299 1.622 -0.216 1.00 . A A . 5 HIS N 1 1
2 303 1 1 6 HIS ND1 N 0.180 1.221 -4.817 1.00 . A A . 5 HIS ND1 1 1
2 304 1 1 6 HIS NE2 N 0.245 3.112 -5.826 1.00 . A A . 5 HIS NE2 1 1
2 305 1 1 6 HIS O O -1.136 -0.689 -2.422 1.00 . A A . 5 HIS O 1 1
2 306 1 1 7 GLN C C -0.591 -3.020 -0.220 1.00 . A A . 6 GLN C 1 1
2 307 1 1 7 GLN CA C 0.664 -2.465 -0.916 1.00 . A A . 6 GLN CA 1 1
2 308 1 1 7 GLN CB C 1.916 -2.977 -0.189 1.00 . A A . 6 GLN CB 1 1
2 309 1 1 7 GLN CD C 3.178 -4.127 -2.054 1.00 . A A . 6 GLN CD 1 1
2 310 1 1 7 GLN CG C 3.172 -2.991 -1.050 1.00 . A A . 6 GLN CG 1 1
2 311 1 1 7 GLN H H 1.371 -0.492 -0.497 1.00 . A A . 6 GLN H 1 1
2 312 1 1 7 GLN HA H 0.678 -2.844 -1.926 1.00 . A A . 6 GLN HA 1 1
2 313 1 1 7 GLN HB2 H 2.104 -2.354 0.670 1.00 . A A . 6 GLN HB2 1 1
2 314 1 1 7 GLN HB3 H 1.730 -3.984 0.149 1.00 . A A . 6 GLN HB3 1 1
2 315 1 1 7 GLN HE21 H 4.902 -4.799 -1.326 1.00 . A A . 6 GLN HE21 1 1
2 316 1 1 7 GLN HE22 H 4.235 -5.700 -2.638 1.00 . A A . 6 GLN HE22 1 1
2 317 1 1 7 GLN HG2 H 3.236 -2.063 -1.590 1.00 . A A . 6 GLN HG2 1 1
2 318 1 1 7 GLN HG3 H 4.034 -3.091 -0.407 1.00 . A A . 6 GLN HG3 1 1
2 319 1 1 7 GLN N N 0.678 -0.983 -0.995 1.00 . A A . 6 GLN N 1 1
2 320 1 1 7 GLN NE2 N 4.209 -4.960 -2.001 1.00 . A A . 6 GLN NE2 1 1
2 321 1 1 7 GLN O O -1.274 -3.879 -0.797 1.00 . A A . 6 GLN O 1 1
2 322 1 1 7 GLN OE1 O 2.266 -4.253 -2.869 1.00 . A A . 6 GLN OE1 1 1
2 323 1 1 8 . C C -3.363 -2.829 1.059 1.00 . A A . 7 MK8 C 1 1
2 324 1 1 8 . CA C -2.031 -2.969 1.900 1.00 . A A . 7 MK8 CA 1 1
2 325 1 1 8 . CB C -2.172 -2.021 3.147 1.00 . A A . 7 MK8 CB 1 1
2 326 1 1 8 . CB1 C -1.791 -4.438 2.394 1.00 . A A . 7 MK8 CB1 1 1
2 327 1 1 8 . CD C -1.180 -1.511 5.443 1.00 . A A . 7 MK8 CD 1 1
2 328 1 1 8 . CE C -0.049 -1.356 6.529 1.00 . A A . 7 MK8 CE 1 1
2 329 1 1 8 . CG C -0.881 -1.629 3.933 1.00 . A A . 7 MK8 CG 1 1
2 330 1 1 8 . HB H -2.853 -2.489 3.843 1.00 . A A . 7 MK8 HB 1 1
2 331 1 1 8 . HB1 H -2.736 -4.886 2.666 1.00 . A A . 7 MK8 HB1 1 1
2 332 1 1 8 . HB1A H -1.141 -4.424 3.257 1.00 . A A . 7 MK8 HB1A 1 1
2 333 1 1 8 . HB1B H -1.330 -5.014 1.607 1.00 . A A . 7 MK8 HB1B 1 1
2 334 1 1 8 . HBA H -2.624 -1.101 2.809 1.00 . A A . 7 MK8 HBA 1 1
2 335 1 1 8 . HD H -1.754 -2.395 5.706 1.00 . A A . 7 MK8 HD 1 1
2 336 1 1 8 . HDA H -1.830 -0.665 5.569 1.00 . A A . 7 MK8 HDA 1 1
2 337 1 1 8 . HE H -0.269 -1.788 7.497 1.00 . A A . 7 MK8 HE 1 1
2 338 1 1 8 . HG H -0.523 -0.673 3.575 1.00 . A A . 7 MK8 HG 1 1
2 339 1 1 8 . HGA H -0.128 -2.386 3.766 1.00 . A A . 7 MK8 HGA 1 1
2 340 1 1 8 . HN H -0.272 -1.874 1.427 1.00 . A A . 7 MK8 HN 1 1
2 341 1 1 8 . N N -0.871 -2.533 1.050 1.00 . A A . 7 MK8 N 1 1
2 342 1 1 8 . O O -4.345 -3.613 1.218 1.00 . A A . 7 MK8 O 1 1
2 343 1 1 9 LEU C C -4.814 -2.498 -1.739 1.00 . A A . 8 LEU C 1 1
2 344 1 1 9 LEU CA C -4.515 -1.400 -0.700 1.00 . A A . 8 LEU CA 1 1
2 345 1 1 9 LEU CB C -4.257 -0.045 -1.403 1.00 . A A . 8 LEU CB 1 1
2 346 1 1 9 LEU CD1 C -6.365 1.365 -1.104 1.00 . A A . 8 LEU CD1 1 1
2 347 1 1 9 LEU CD2 C -4.995 1.575 -3.186 1.00 . A A . 8 LEU CD2 1 1
2 348 1 1 9 LEU CG C -5.470 0.623 -2.099 1.00 . A A . 8 LEU CG 1 1
2 349 1 1 9 LEU H H -2.573 -1.183 0.154 1.00 . A A . 8 LEU H 1 1
2 350 1 1 9 LEU HA H -5.382 -1.293 -0.066 1.00 . A A . 8 LEU HA 1 1
2 351 1 1 9 LEU HB2 H -3.877 0.645 -0.664 1.00 . A A . 8 LEU HB2 1 1
2 352 1 1 9 LEU HB3 H -3.491 -0.198 -2.148 1.00 . A A . 8 LEU HB3 1 1
2 353 1 1 9 LEU HD11 H -5.819 1.543 -0.191 1.00 . A A . 8 LEU HD11 1 1
2 354 1 1 9 LEU HD12 H -7.238 0.765 -0.891 1.00 . A A . 8 LEU HD12 1 1
2 355 1 1 9 LEU HD13 H -6.673 2.308 -1.531 1.00 . A A . 8 LEU HD13 1 1
2 356 1 1 9 LEU HD21 H -5.159 2.594 -2.868 1.00 . A A . 8 LEU HD21 1 1
2 357 1 1 9 LEU HD22 H -5.548 1.388 -4.095 1.00 . A A . 8 LEU HD22 1 1
2 358 1 1 9 LEU HD23 H -3.942 1.419 -3.367 1.00 . A A . 8 LEU HD23 1 1
2 359 1 1 9 LEU HG H -6.067 -0.143 -2.570 1.00 . A A . 8 LEU HG 1 1
2 360 1 1 9 LEU N N -3.370 -1.757 0.181 1.00 . A A . 8 LEU N 1 1
2 361 1 1 9 LEU O O -5.983 -2.636 -2.150 1.00 . A A . 8 LEU O 1 1
2 362 1 1 10 GLN C C -4.297 -5.675 -2.652 1.00 . A A . 9 GLN C 1 1
2 363 1 1 10 GLN CA C -3.816 -4.318 -3.198 1.00 . A A . 9 GLN CA 1 1
2 364 1 1 10 GLN CB C -2.479 -4.498 -3.932 1.00 . A A . 9 GLN CB 1 1
2 365 1 1 10 GLN CD C -1.348 -4.177 -6.182 1.00 . A A . 9 GLN CD 1 1
2 366 1 1 10 GLN CG C -2.360 -3.637 -5.184 1.00 . A A . 9 GLN CG 1 1
2 367 1 1 10 GLN H H -2.848 -3.028 -1.796 1.00 . A A . 9 GLN H 1 1
2 368 1 1 10 GLN HA H -4.541 -3.982 -3.928 1.00 . A A . 9 GLN HA 1 1
2 369 1 1 10 GLN HB2 H -1.673 -4.235 -3.263 1.00 . A A . 9 GLN HB2 1 1
2 370 1 1 10 GLN HB3 H -2.374 -5.534 -4.221 1.00 . A A . 9 GLN HB3 1 1
2 371 1 1 10 GLN HE21 H -0.379 -2.438 -6.205 1.00 . A A . 9 GLN HE21 1 1
2 372 1 1 10 GLN HE22 H 0.277 -3.672 -7.220 1.00 . A A . 9 GLN HE22 1 1
2 373 1 1 10 GLN HG2 H -3.326 -3.594 -5.665 1.00 . A A . 9 GLN HG2 1 1
2 374 1 1 10 GLN HG3 H -2.061 -2.641 -4.892 1.00 . A A . 9 GLN HG3 1 1
2 375 1 1 10 GLN N N -3.728 -3.242 -2.171 1.00 . A A . 9 GLN N 1 1
2 376 1 1 10 GLN NE2 N -0.386 -3.344 -6.574 1.00 . A A . 9 GLN NE2 1 1
2 377 1 1 10 GLN O O -5.231 -6.253 -3.242 1.00 . A A . 9 GLN O 1 1
2 378 1 1 10 GLN OE1 O -1.440 -5.325 -6.611 1.00 . A A . 9 GLN OE1 1 1
2 379 1 1 11 ASP C C -5.306 -7.563 -0.241 1.00 . A A . 10 ASP C 1 1
2 380 1 1 11 ASP CA C -3.922 -7.515 -0.936 1.00 . A A . 10 ASP CA 1 1
2 381 1 1 11 ASP CB C -2.803 -7.917 0.054 1.00 . A A . 10 ASP CB 1 1
2 382 1 1 11 ASP CG C -2.952 -9.341 0.572 1.00 . A A . 10 ASP CG 1 1
2 383 1 1 11 ASP H H -2.870 -5.667 -1.191 1.00 . A A . 10 ASP H 1 1
2 384 1 1 11 ASP HA H -3.928 -8.242 -1.739 1.00 . A A . 10 ASP HA 1 1
2 385 1 1 11 ASP HB2 H -1.847 -7.845 -0.445 1.00 . A A . 10 ASP HB2 1 1
2 386 1 1 11 ASP HB3 H -2.808 -7.247 0.900 1.00 . A A . 10 ASP HB3 1 1
2 387 1 1 11 ASP N N -3.618 -6.189 -1.557 1.00 . A A . 10 ASP N 1 1
2 388 1 1 11 ASP O O -5.858 -8.669 -0.085 1.00 . A A . 10 ASP O 1 1
2 389 1 1 11 ASP OD1 O -2.903 -10.279 -0.250 1.00 . A A . 10 ASP OD1 1 1
2 390 1 1 11 ASP OD2 O -3.119 -9.514 1.797 1.00 . A A . 10 ASP OD2 1 1
2 391 1 1 12 SER C C -8.354 -6.160 -0.059 1.00 . A A . 11 SER C 1 1
2 392 1 1 12 SER CA C -7.129 -6.212 0.906 1.00 . A A . 11 SER CA 1 1
2 393 1 1 12 SER CB C -7.052 -4.960 1.810 1.00 . A A . 11 SER CB 1 1
2 394 1 1 12 SER H H -5.300 -5.549 0.038 1.00 . A A . 11 SER H 1 1
2 395 1 1 12 SER HA H -7.244 -7.081 1.541 1.00 . A A . 11 SER HA 1 1
2 396 1 1 12 SER HB2 H -6.961 -4.077 1.197 1.00 . A A . 11 SER HB2 1 1
2 397 1 1 12 SER HB3 H -7.951 -4.893 2.406 1.00 . A A . 11 SER HB3 1 1
2 398 1 1 12 SER HG H -6.237 -5.122 3.586 1.00 . A A . 11 SER HG 1 1
2 399 1 1 12 SER N N -5.828 -6.358 0.192 1.00 . A A . 11 SER N 1 1
2 400 1 1 12 SER O O -9.467 -5.792 0.351 1.00 . A A . 11 SER O 1 1
2 401 1 1 12 SER OG O -5.934 -5.029 2.680 1.00 . A A . 11 SER OG 1 1
2 402 1 1 13 NH2 HN1 H -7.478 -7.440 -1.306 1.00 . A A . 12 NH2 HN1 1 1
2 403 1 1 13 NH2 HN2 H -9.035 -6.891 -1.782 1.00 . A A . 12 NH2 HN2 1 1
2 404 1 1 13 NH2 N N -8.275 -6.907 -1.160 1.00 . A A . 12 NH2 N 1 1
3 405 1 1 1 ACE C C 5.061 5.458 3.343 1.00 . A A . 0 ACE C 1 1
3 406 1 1 1 ACE CH3 C 6.347 5.396 4.146 1.00 . A A . 0 ACE CH3 1 1
3 407 1 1 1 ACE H1 H 6.123 5.529 5.195 1.00 . A A . 0 ACE H1 1 1
3 408 1 1 1 ACE H2 H 7.014 6.181 3.820 1.00 . A A . 0 ACE H2 1 1
3 409 1 1 1 ACE H3 H 6.820 4.437 3.998 1.00 . A A . 0 ACE H3 1 1
3 410 1 1 1 ACE O O 4.032 4.922 3.796 1.00 . A A . 0 ACE O 1 1
3 411 1 1 2 HIS C C 3.717 5.052 0.413 1.00 . A A . 1 HIS C 1 1
3 412 1 1 2 HIS CA C 4.010 6.331 1.217 1.00 . A A . 1 HIS CA 1 1
3 413 1 1 2 HIS CB C 4.302 7.516 0.274 1.00 . A A . 1 HIS CB 1 1
3 414 1 1 2 HIS CD2 C 2.582 9.356 -0.375 1.00 . A A . 1 HIS CD2 1 1
3 415 1 1 2 HIS CE1 C 1.268 8.136 -1.637 1.00 . A A . 1 HIS CE1 1 1
3 416 1 1 2 HIS CG C 3.084 8.097 -0.389 1.00 . A A . 1 HIS CG 1 1
3 417 1 1 2 HIS H H 6.009 6.531 1.904 1.00 . A A . 1 HIS H 1 1
3 418 1 1 2 HIS HA H 3.140 6.567 1.812 1.00 . A A . 1 HIS HA 1 1
3 419 1 1 2 HIS HB2 H 4.775 8.304 0.839 1.00 . A A . 1 HIS HB2 1 1
3 420 1 1 2 HIS HB3 H 4.977 7.192 -0.504 1.00 . A A . 1 HIS HB3 1 1
3 421 1 1 2 HIS HD1 H 2.332 6.405 -1.395 1.00 . A A . 1 HIS HD1 1 1
3 422 1 1 2 HIS HD2 H 2.993 10.207 0.150 1.00 . A A . 1 HIS HD2 1 1
3 423 1 1 2 HIS HE1 H 0.461 7.830 -2.286 1.00 . A A . 1 HIS HE1 1 1
3 424 1 1 2 HIS HE2 H 0.948 10.147 -1.428 1.00 . A A . 1 HIS HE2 1 1
3 425 1 1 2 HIS N N 5.144 6.138 2.147 1.00 . A A . 1 HIS N 1 1
3 426 1 1 2 HIS ND1 N 2.237 7.358 -1.188 1.00 . A A . 1 HIS ND1 1 1
3 427 1 1 2 HIS NE2 N 1.453 9.352 -1.158 1.00 . A A . 1 HIS NE2 1 1
3 428 1 1 2 HIS O O 2.550 4.829 0.039 1.00 . A A . 1 HIS O 1 1
3 429 1 1 3 LYS C C 3.992 1.860 0.182 1.00 . A A . 2 LYS C 1 1
3 430 1 1 3 LYS CA C 4.721 2.957 -0.604 1.00 . A A . 2 LYS CA 1 1
3 431 1 1 3 LYS CB C 6.113 2.450 -1.033 1.00 . A A . 2 LYS CB 1 1
3 432 1 1 3 LYS CD C 8.150 2.717 -2.494 1.00 . A A . 2 LYS CD 1 1
3 433 1 1 3 LYS CE C 8.934 3.632 -3.433 1.00 . A A . 2 LYS CE 1 1
3 434 1 1 3 LYS CG C 6.818 3.326 -2.068 1.00 . A A . 2 LYS CG 1 1
3 435 1 1 3 LYS H H 5.675 4.510 0.506 1.00 . A A . 2 LYS H 1 1
3 436 1 1 3 LYS HA H 4.147 3.164 -1.493 1.00 . A A . 2 LYS HA 1 1
3 437 1 1 3 LYS HB2 H 6.747 2.378 -0.164 1.00 . A A . 2 LYS HB2 1 1
3 438 1 1 3 LYS HB3 H 5.999 1.464 -1.456 1.00 . A A . 2 LYS HB3 1 1
3 439 1 1 3 LYS HD2 H 8.746 2.534 -1.613 1.00 . A A . 2 LYS HD2 1 1
3 440 1 1 3 LYS HD3 H 7.958 1.782 -2.999 1.00 . A A . 2 LYS HD3 1 1
3 441 1 1 3 LYS HE2 H 9.851 3.134 -3.711 1.00 . A A . 2 LYS HE2 1 1
3 442 1 1 3 LYS HE3 H 8.346 3.814 -4.321 1.00 . A A . 2 LYS HE3 1 1
3 443 1 1 3 LYS HG2 H 6.183 3.419 -2.936 1.00 . A A . 2 LYS HG2 1 1
3 444 1 1 3 LYS HG3 H 7.000 4.301 -1.648 1.00 . A A . 2 LYS HG3 1 1
3 445 1 1 3 LYS HZ1 H 10.237 4.905 -2.410 1.00 . A A . 2 LYS HZ1 1 1
3 446 1 1 3 LYS HZ2 H 8.607 5.143 -2.026 1.00 . A A . 2 LYS HZ2 1 1
3 447 1 1 3 LYS HZ3 H 9.218 5.702 -3.500 1.00 . A A . 2 LYS HZ3 1 1
3 448 1 1 3 LYS N N 4.804 4.232 0.160 1.00 . A A . 2 LYS N 1 1
3 449 1 1 3 LYS NZ N 9.272 4.937 -2.798 1.00 . A A . 2 LYS NZ 1 1
3 450 1 1 3 LYS O O 3.217 1.092 -0.402 1.00 . A A . 2 LYS O 1 1
3 451 1 1 4 . C C 2.087 0.717 2.268 1.00 . A A . 3 MK8 C 1 1
3 452 1 1 4 . CA C 3.674 0.798 2.492 1.00 . A A . 3 MK8 CA 1 1
3 453 1 1 4 . CB C 4.073 1.296 3.936 1.00 . A A . 3 MK8 CB 1 1
3 454 1 1 4 . CB1 C 4.412 -0.551 2.262 1.00 . A A . 3 MK8 CB1 1 1
3 455 1 1 4 . CD C 2.022 1.413 5.406 1.00 . A A . 3 MK8 CD 1 1
3 456 1 1 4 . CE C 0.907 0.729 6.260 1.00 . A A . 3 MK8 CE 1 1
3 457 1 1 4 . CG C 3.356 0.707 5.185 1.00 . A A . 3 MK8 CG 1 1
3 458 1 1 4 . HB H 3.936 2.367 3.959 1.00 . A A . 3 MK8 HB 1 1
3 459 1 1 4 . HB1 H 5.035 -0.772 3.117 1.00 . A A . 3 MK8 HB1 1 1
3 460 1 1 4 . HB1A H 5.028 -0.478 1.379 1.00 . A A . 3 MK8 HB1A 1 1
3 461 1 1 4 . HB1B H 3.687 -1.341 2.130 1.00 . A A . 3 MK8 HB1B 1 1
3 462 1 1 4 . HBA H 5.125 1.099 4.065 1.00 . A A . 3 MK8 HBA 1 1
3 463 1 1 4 . HD H 1.612 1.623 4.430 1.00 . A A . 3 MK8 HD 1 1
3 464 1 1 4 . HDA H 2.240 2.358 5.880 1.00 . A A . 3 MK8 HDA 1 1
3 465 1 1 4 . HE H 0.951 0.887 7.331 1.00 . A A . 3 MK8 HE 1 1
3 466 1 1 4 . HG H 3.989 0.857 6.048 1.00 . A A . 3 MK8 HG 1 1
3 467 1 1 4 . HGA H 3.183 -0.349 5.035 1.00 . A A . 3 MK8 HGA 1 1
3 468 1 1 4 . HN H 4.893 2.444 1.907 1.00 . A A . 3 MK8 HN 1 1
3 469 1 1 4 . N N 4.263 1.795 1.538 1.00 . A A . 3 MK8 N 1 1
3 470 1 1 4 . O O 1.495 -0.378 2.040 1.00 . A A . 3 MK8 O 1 1
3 471 1 1 5 LEU C C -0.564 1.594 0.921 1.00 . A A . 4 LEU C 1 1
3 472 1 1 5 LEU CA C -0.035 2.118 2.257 1.00 . A A . 4 LEU CA 1 1
3 473 1 1 5 LEU CB C -0.434 3.602 2.444 1.00 . A A . 4 LEU CB 1 1
3 474 1 1 5 LEU CD1 C -2.319 3.628 4.180 1.00 . A A . 4 LEU CD1 1 1
3 475 1 1 5 LEU CD2 C -2.273 5.322 2.350 1.00 . A A . 4 LEU CD2 1 1
3 476 1 1 5 LEU CG C -1.935 3.888 2.720 1.00 . A A . 4 LEU CG 1 1
3 477 1 1 5 LEU H H 1.979 2.728 2.588 1.00 . A A . 4 LEU H 1 1
3 478 1 1 5 LEU HA H -0.494 1.544 3.047 1.00 . A A . 4 LEU HA 1 1
3 479 1 1 5 LEU HB2 H 0.139 4.003 3.266 1.00 . A A . 4 LEU HB2 1 1
3 480 1 1 5 LEU HB3 H -0.156 4.135 1.547 1.00 . A A . 4 LEU HB3 1 1
3 481 1 1 5 LEU HD11 H -3.341 3.284 4.227 1.00 . A A . 4 LEU HD11 1 1
3 482 1 1 5 LEU HD12 H -2.220 4.542 4.744 1.00 . A A . 4 LEU HD12 1 1
3 483 1 1 5 LEU HD13 H -1.665 2.875 4.595 1.00 . A A . 4 LEU HD13 1 1
3 484 1 1 5 LEU HD21 H -3.111 5.331 1.669 1.00 . A A . 4 LEU HD21 1 1
3 485 1 1 5 LEU HD22 H -1.419 5.782 1.879 1.00 . A A . 4 LEU HD22 1 1
3 486 1 1 5 LEU HD23 H -2.531 5.870 3.245 1.00 . A A . 4 LEU HD23 1 1
3 487 1 1 5 LEU HG H -2.538 3.239 2.103 1.00 . A A . 4 LEU HG 1 1
3 488 1 1 5 LEU N N 1.436 1.937 2.385 1.00 . A A . 4 LEU N 1 1
3 489 1 1 5 LEU O O -1.701 1.083 0.876 1.00 . A A . 4 LEU O 1 1
3 490 1 1 6 HIS C C -0.220 -0.203 -1.618 1.00 . A A . 5 HIS C 1 1
3 491 1 1 6 HIS CA C -0.039 1.321 -1.533 1.00 . A A . 5 HIS CA 1 1
3 492 1 1 6 HIS CB C 1.059 1.808 -2.497 1.00 . A A . 5 HIS CB 1 1
3 493 1 1 6 HIS CD2 C 0.495 2.849 -4.813 1.00 . A A . 5 HIS CD2 1 1
3 494 1 1 6 HIS CE1 C 0.113 0.998 -5.920 1.00 . A A . 5 HIS CE1 1 1
3 495 1 1 6 HIS CG C 0.668 1.817 -3.950 1.00 . A A . 5 HIS CG 1 1
3 496 1 1 6 HIS H H 1.153 2.170 0.003 1.00 . A A . 5 HIS H 1 1
3 497 1 1 6 HIS HA H -0.969 1.789 -1.806 1.00 . A A . 5 HIS HA 1 1
3 498 1 1 6 HIS HB2 H 1.333 2.817 -2.230 1.00 . A A . 5 HIS HB2 1 1
3 499 1 1 6 HIS HB3 H 1.924 1.171 -2.392 1.00 . A A . 5 HIS HB3 1 1
3 500 1 1 6 HIS HD1 H 0.458 -0.246 -4.331 1.00 . A A . 5 HIS HD1 1 1
3 501 1 1 6 HIS HD2 H 0.602 3.902 -4.586 1.00 . A A . 5 HIS HD2 1 1
3 502 1 1 6 HIS HE1 H -0.120 0.309 -6.716 1.00 . A A . 5 HIS HE1 1 1
3 503 1 1 6 HIS HE2 H 0.094 2.809 -6.870 1.00 . A A . 5 HIS HE2 1 1
3 504 1 1 6 HIS N N 0.284 1.745 -0.154 1.00 . A A . 5 HIS N 1 1
3 505 1 1 6 HIS ND1 N 0.418 0.671 -4.675 1.00 . A A . 5 HIS ND1 1 1
3 506 1 1 6 HIS NE2 N 0.151 2.312 -6.028 1.00 . A A . 5 HIS NE2 1 1
3 507 1 1 6 HIS O O -1.150 -0.667 -2.304 1.00 . A A . 5 HIS O 1 1
3 508 1 1 7 GLN C C -0.485 -3.051 -0.169 1.00 . A A . 6 GLN C 1 1
3 509 1 1 7 GLN CA C 0.725 -2.436 -0.895 1.00 . A A . 6 GLN CA 1 1
3 510 1 1 7 GLN CB C 2.033 -2.984 -0.283 1.00 . A A . 6 GLN CB 1 1
3 511 1 1 7 GLN CD C 3.771 -4.705 -0.960 1.00 . A A . 6 GLN CD 1 1
3 512 1 1 7 GLN CG C 3.081 -3.398 -1.314 1.00 . A A . 6 GLN CG 1 1
3 513 1 1 7 GLN H H 1.405 -0.474 -0.439 1.00 . A A . 6 GLN H 1 1
3 514 1 1 7 GLN HA H 0.683 -2.759 -1.925 1.00 . A A . 6 GLN HA 1 1
3 515 1 1 7 GLN HB2 H 2.473 -2.231 0.347 1.00 . A A . 6 GLN HB2 1 1
3 516 1 1 7 GLN HB3 H 1.797 -3.847 0.319 1.00 . A A . 6 GLN HB3 1 1
3 517 1 1 7 GLN HE21 H 5.560 -3.856 -1.176 1.00 . A A . 6 GLN HE21 1 1
3 518 1 1 7 GLN HE22 H 5.570 -5.523 -0.727 1.00 . A A . 6 GLN HE22 1 1
3 519 1 1 7 GLN HG2 H 2.605 -3.508 -2.273 1.00 . A A . 6 GLN HG2 1 1
3 520 1 1 7 GLN HG3 H 3.834 -2.625 -1.374 1.00 . A A . 6 GLN HG3 1 1
3 521 1 1 7 GLN N N 0.707 -0.954 -0.922 1.00 . A A . 6 GLN N 1 1
3 522 1 1 7 GLN NE2 N 5.101 -4.693 -0.954 1.00 . A A . 6 GLN NE2 1 1
3 523 1 1 7 GLN O O -1.075 -4.005 -0.697 1.00 . A A . 6 GLN O 1 1
3 524 1 1 7 GLN OE1 O 3.119 -5.719 -0.712 1.00 . A A . 6 GLN OE1 1 1
3 525 1 1 8 . C C -3.345 -2.813 1.109 1.00 . A A . 7 MK8 C 1 1
3 526 1 1 8 . CA C -2.007 -3.016 1.918 1.00 . A A . 7 MK8 CA 1 1
3 527 1 1 8 . CB C -2.136 -2.130 3.226 1.00 . A A . 7 MK8 CB 1 1
3 528 1 1 8 . CB1 C -1.809 -4.541 2.315 1.00 . A A . 7 MK8 CB1 1 1
3 529 1 1 8 . CD C -0.494 -0.475 4.351 1.00 . A A . 7 MK8 CD 1 1
3 530 1 1 8 . CE C -0.143 -0.055 5.811 1.00 . A A . 7 MK8 CE 1 1
3 531 1 1 8 . CG C -0.885 -1.930 4.146 1.00 . A A . 7 MK8 CG 1 1
3 532 1 1 8 . HB H -2.916 -2.566 3.835 1.00 . A A . 7 MK8 HB 1 1
3 533 1 1 8 . HB1 H -2.624 -5.124 1.918 1.00 . A A . 7 MK8 HB1 1 1
3 534 1 1 8 . HB1A H -1.791 -4.632 3.392 1.00 . A A . 7 MK8 HB1A 1 1
3 535 1 1 8 . HB1B H -0.873 -4.895 1.910 1.00 . A A . 7 MK8 HB1B 1 1
3 536 1 1 8 . HBA H -2.466 -1.147 2.929 1.00 . A A . 7 MK8 HBA 1 1
3 537 1 1 8 . HD H -1.315 0.140 4.007 1.00 . A A . 7 MK8 HD 1 1
3 538 1 1 8 . HDA H 0.368 -0.270 3.728 1.00 . A A . 7 MK8 HDA 1 1
3 539 1 1 8 . HE H -0.806 -0.431 6.573 1.00 . A A . 7 MK8 HE 1 1
3 540 1 1 8 . HG H -0.052 -2.468 3.719 1.00 . A A . 7 MK8 HG 1 1
3 541 1 1 8 . HGA H -1.116 -2.352 5.117 1.00 . A A . 7 MK8 HGA 1 1
3 542 1 1 8 . HN H -0.345 -1.752 1.413 1.00 . A A . 7 MK8 HN 1 1
3 543 1 1 8 . N N -0.854 -2.512 1.069 1.00 . A A . 7 MK8 N 1 1
3 544 1 1 8 . O O -4.380 -3.500 1.364 1.00 . A A . 7 MK8 O 1 1
3 545 1 1 9 LEU C C -4.911 -2.519 -1.643 1.00 . A A . 8 LEU C 1 1
3 546 1 1 9 LEU CA C -4.470 -1.402 -0.681 1.00 . A A . 8 LEU CA 1 1
3 547 1 1 9 LEU CB C -4.171 -0.097 -1.462 1.00 . A A . 8 LEU CB 1 1
3 548 1 1 9 LEU CD1 C -6.201 1.433 -1.101 1.00 . A A . 8 LEU CD1 1 1
3 549 1 1 9 LEU CD2 C -4.920 1.519 -3.246 1.00 . A A . 8 LEU CD2 1 1
3 550 1 1 9 LEU CG C -5.386 0.619 -2.114 1.00 . A A . 8 LEU CG 1 1
3 551 1 1 9 LEU H H -2.478 -1.287 0.074 1.00 . A A . 8 LEU H 1 1
3 552 1 1 9 LEU HA H -5.291 -1.206 -0.007 1.00 . A A . 8 LEU HA 1 1
3 553 1 1 9 LEU HB2 H -3.701 0.599 -0.783 1.00 . A A . 8 LEU HB2 1 1
3 554 1 1 9 LEU HB3 H -3.468 -0.333 -2.245 1.00 . A A . 8 LEU HB3 1 1
3 555 1 1 9 LEU HD11 H -6.858 0.772 -0.554 1.00 . A A . 8 LEU HD11 1 1
3 556 1 1 9 LEU HD12 H -6.790 2.172 -1.624 1.00 . A A . 8 LEU HD12 1 1
3 557 1 1 9 LEU HD13 H -5.532 1.927 -0.413 1.00 . A A . 8 LEU HD13 1 1
3 558 1 1 9 LEU HD21 H -4.025 1.107 -3.688 1.00 . A A . 8 LEU HD21 1 1
3 559 1 1 9 LEU HD22 H -4.710 2.504 -2.858 1.00 . A A . 8 LEU HD22 1 1
3 560 1 1 9 LEU HD23 H -5.695 1.584 -3.995 1.00 . A A . 8 LEU HD23 1 1
3 561 1 1 9 LEU HG H -6.043 -0.127 -2.538 1.00 . A A . 8 LEU HG 1 1
3 562 1 1 9 LEU N N -3.310 -1.797 0.166 1.00 . A A . 8 LEU N 1 1
3 563 1 1 9 LEU O O -6.128 -2.697 -1.843 1.00 . A A . 8 LEU O 1 1
3 564 1 1 10 GLN C C -4.457 -5.675 -2.603 1.00 . A A . 9 GLN C 1 1
3 565 1 1 10 GLN CA C -4.122 -4.321 -3.245 1.00 . A A . 9 GLN CA 1 1
3 566 1 1 10 GLN CB C -2.896 -4.488 -4.162 1.00 . A A . 9 GLN CB 1 1
3 567 1 1 10 GLN CD C -3.693 -3.301 -6.270 1.00 . A A . 9 GLN CD 1 1
3 568 1 1 10 GLN CG C -2.669 -3.344 -5.147 1.00 . A A . 9 GLN CG 1 1
3 569 1 1 10 GLN H H -2.973 -2.989 -2.039 1.00 . A A . 9 GLN H 1 1
3 570 1 1 10 GLN HA H -4.962 -4.024 -3.855 1.00 . A A . 9 GLN HA 1 1
3 571 1 1 10 GLN HB2 H -2.012 -4.575 -3.550 1.00 . A A . 9 GLN HB2 1 1
3 572 1 1 10 GLN HB3 H -3.013 -5.400 -4.730 1.00 . A A . 9 GLN HB3 1 1
3 573 1 1 10 GLN HE21 H -2.253 -3.550 -7.625 1.00 . A A . 9 GLN HE21 1 1
3 574 1 1 10 GLN HE22 H -3.857 -3.403 -8.255 1.00 . A A . 9 GLN HE22 1 1
3 575 1 1 10 GLN HG2 H -2.712 -2.411 -4.609 1.00 . A A . 9 GLN HG2 1 1
3 576 1 1 10 GLN HG3 H -1.687 -3.459 -5.583 1.00 . A A . 9 GLN HG3 1 1
3 577 1 1 10 GLN N N -3.896 -3.233 -2.254 1.00 . A A . 9 GLN N 1 1
3 578 1 1 10 GLN NE2 N -3.220 -3.433 -7.508 1.00 . A A . 9 GLN NE2 1 1
3 579 1 1 10 GLN O O -5.342 -6.382 -3.124 1.00 . A A . 9 GLN O 1 1
3 580 1 1 10 GLN OE1 O -4.890 -3.154 -6.029 1.00 . A A . 9 GLN OE1 1 1
3 581 1 1 11 ASP C C -5.219 -7.392 -0.029 1.00 . A A . 10 ASP C 1 1
3 582 1 1 11 ASP CA C -3.870 -7.310 -0.758 1.00 . A A . 10 ASP CA 1 1
3 583 1 1 11 ASP CB C -2.695 -7.518 0.219 1.00 . A A . 10 ASP CB 1 1
3 584 1 1 11 ASP CG C -2.713 -8.878 0.899 1.00 . A A . 10 ASP CG 1 1
3 585 1 1 11 ASP H H -3.033 -5.399 -1.179 1.00 . A A . 10 ASP H 1 1
3 586 1 1 11 ASP HA H -3.844 -8.099 -1.496 1.00 . A A . 10 ASP HA 1 1
3 587 1 1 11 ASP HB2 H -1.765 -7.434 -0.325 1.00 . A A . 10 ASP HB2 1 1
3 588 1 1 11 ASP HB3 H -2.726 -6.755 0.980 1.00 . A A . 10 ASP HB3 1 1
3 589 1 1 11 ASP N N -3.714 -6.027 -1.491 1.00 . A A . 10 ASP N 1 1
3 590 1 1 11 ASP O O -5.526 -8.447 0.560 1.00 . A A . 10 ASP O 1 1
3 591 1 1 11 ASP OD1 O -2.667 -9.899 0.183 1.00 . A A . 10 ASP OD1 1 1
3 592 1 1 11 ASP OD2 O -2.772 -8.918 2.145 1.00 . A A . 10 ASP OD2 1 1
3 593 1 1 12 SER C C -8.429 -6.758 -0.373 1.00 . A A . 11 SER C 1 1
3 594 1 1 12 SER CA C -7.345 -6.142 0.525 1.00 . A A . 11 SER CA 1 1
3 595 1 1 12 SER CB C -7.639 -4.663 0.862 1.00 . A A . 11 SER CB 1 1
3 596 1 1 12 SER H H -5.665 -5.495 -0.599 1.00 . A A . 11 SER H 1 1
3 597 1 1 12 SER HA H -7.321 -6.706 1.449 1.00 . A A . 11 SER HA 1 1
3 598 1 1 12 SER HB2 H -7.124 -4.409 1.777 1.00 . A A . 11 SER HB2 1 1
3 599 1 1 12 SER HB3 H -7.274 -4.027 0.067 1.00 . A A . 11 SER HB3 1 1
3 600 1 1 12 SER HG H -9.366 -5.011 1.732 1.00 . A A . 11 SER HG 1 1
3 601 1 1 12 SER N N -6.008 -6.262 -0.098 1.00 . A A . 11 SER N 1 1
3 602 1 1 12 SER O O -9.150 -7.659 0.056 1.00 . A A . 11 SER O 1 1
3 603 1 1 12 SER OG O -9.026 -4.417 1.058 1.00 . A A . 11 SER OG 1 1
3 604 1 1 13 NH2 HN1 H -7.710 -5.811 -1.972 1.00 . A A . 12 NH2 HN1 1 1
3 605 1 1 13 NH2 HN2 H -9.081 -6.822 -2.255 1.00 . A A . 12 NH2 HN2 1 1
3 606 1 1 13 NH2 N N -8.404 -6.426 -1.663 1.00 . A A . 12 NH2 N 1 1
4 607 1 1 1 ACE C C 5.066 5.653 3.226 1.00 . A A . 0 ACE C 1 1
4 608 1 1 1 ACE CH3 C 6.346 5.642 4.034 1.00 . A A . 0 ACE CH3 1 1
4 609 1 1 1 ACE H1 H 6.174 6.121 4.986 1.00 . A A . 0 ACE H1 1 1
4 610 1 1 1 ACE H2 H 7.116 6.176 3.497 1.00 . A A . 0 ACE H2 1 1
4 611 1 1 1 ACE H3 H 6.661 4.622 4.196 1.00 . A A . 0 ACE H3 1 1
4 612 1 1 1 ACE O O 4.050 5.095 3.685 1.00 . A A . 0 ACE O 1 1
4 613 1 1 2 HIS C C 3.748 5.131 0.316 1.00 . A A . 1 HIS C 1 1
4 614 1 1 2 HIS CA C 3.999 6.448 1.078 1.00 . A A . 1 HIS CA 1 1
4 615 1 1 2 HIS CB C 4.266 7.606 0.096 1.00 . A A . 1 HIS CB 1 1
4 616 1 1 2 HIS CD2 C 2.475 9.361 -0.602 1.00 . A A . 1 HIS CD2 1 1
4 617 1 1 2 HIS CE1 C 1.225 8.061 -1.848 1.00 . A A . 1 HIS CE1 1 1
4 618 1 1 2 HIS CG C 3.034 8.126 -0.592 1.00 . A A . 1 HIS CG 1 1
4 619 1 1 2 HIS H H 5.990 6.725 1.765 1.00 . A A . 1 HIS H 1 1
4 620 1 1 2 HIS HA H 3.122 6.687 1.662 1.00 . A A . 1 HIS HA 1 1
4 621 1 1 2 HIS HB2 H 4.713 8.427 0.635 1.00 . A A . 1 HIS HB2 1 1
4 622 1 1 2 HIS HB3 H 4.953 7.273 -0.667 1.00 . A A . 1 HIS HB3 1 1
4 623 1 1 2 HIS HD1 H 2.367 6.385 -1.574 1.00 . A A . 1 HIS HD1 1 1
4 624 1 1 2 HIS HD2 H 2.846 10.239 -0.091 1.00 . A A . 1 HIS HD2 1 1
4 625 1 1 2 HIS HE1 H 0.437 7.707 -2.496 1.00 . A A . 1 HIS HE1 1 1
4 626 1 1 2 HIS HE2 H 0.680 9.999 -1.481 1.00 . A A . 1 HIS HE2 1 1
4 627 1 1 2 HIS N N 5.135 6.310 2.014 1.00 . A A . 1 HIS N 1 1
4 628 1 1 2 HIS ND1 N 2.226 7.336 -1.382 1.00 . A A . 1 HIS ND1 1 1
4 629 1 1 2 HIS NE2 N 1.352 9.292 -1.389 1.00 . A A . 1 HIS NE2 1 1
4 630 1 1 2 HIS O O 2.612 4.903 -0.140 1.00 . A A . 1 HIS O 1 1
4 631 1 1 3 LYS C C 4.004 1.891 0.218 1.00 . A A . 2 LYS C 1 1
4 632 1 1 3 LYS CA C 4.801 2.979 -0.527 1.00 . A A . 2 LYS CA 1 1
4 633 1 1 3 LYS CB C 6.218 2.457 -0.829 1.00 . A A . 2 LYS CB 1 1
4 634 1 1 3 LYS CD C 8.281 2.546 -2.275 1.00 . A A . 2 LYS CD 1 1
4 635 1 1 3 LYS CE C 9.057 3.324 -3.333 1.00 . A A . 2 LYS CE 1 1
4 636 1 1 3 LYS CG C 6.937 3.193 -1.959 1.00 . A A . 2 LYS CG 1 1
4 637 1 1 3 LYS H H 5.687 4.576 0.579 1.00 . A A . 2 LYS H 1 1
4 638 1 1 3 LYS HA H 4.305 3.157 -1.469 1.00 . A A . 2 LYS HA 1 1
4 639 1 1 3 LYS HB2 H 6.820 2.537 0.060 1.00 . A A . 2 LYS HB2 1 1
4 640 1 1 3 LYS HB3 H 6.147 1.416 -1.103 1.00 . A A . 2 LYS HB3 1 1
4 641 1 1 3 LYS HD2 H 8.870 2.506 -1.372 1.00 . A A . 2 LYS HD2 1 1
4 642 1 1 3 LYS HD3 H 8.107 1.542 -2.636 1.00 . A A . 2 LYS HD3 1 1
4 643 1 1 3 LYS HE2 H 8.454 3.401 -4.225 1.00 . A A . 2 LYS HE2 1 1
4 644 1 1 3 LYS HE3 H 9.269 4.314 -2.955 1.00 . A A . 2 LYS HE3 1 1
4 645 1 1 3 LYS HG2 H 6.318 3.163 -2.843 1.00 . A A . 2 LYS HG2 1 1
4 646 1 1 3 LYS HG3 H 7.104 4.217 -1.668 1.00 . A A . 2 LYS HG3 1 1
4 647 1 1 3 LYS HZ1 H 10.179 1.910 -4.386 1.00 . A A . 2 LYS HZ1 1 1
4 648 1 1 3 LYS HZ2 H 10.766 2.229 -2.832 1.00 . A A . 2 LYS HZ2 1 1
4 649 1 1 3 LYS HZ3 H 11.010 3.351 -4.075 1.00 . A A . 2 LYS HZ3 1 1
4 650 1 1 3 LYS N N 4.838 4.288 0.185 1.00 . A A . 2 LYS N 1 1
4 651 1 1 3 LYS NZ N 10.343 2.657 -3.680 1.00 . A A . 2 LYS NZ 1 1
4 652 1 1 3 LYS O O 3.190 1.180 -0.405 1.00 . A A . 2 LYS O 1 1
4 653 1 1 4 . C C 2.066 0.572 2.145 1.00 . A A . 3 MK8 C 1 1
4 654 1 1 4 . CA C 3.621 0.658 2.455 1.00 . A A . 3 MK8 CA 1 1
4 655 1 1 4 . CB C 3.824 1.052 3.983 1.00 . A A . 3 MK8 CB 1 1
4 656 1 1 4 . CB1 C 4.421 -0.653 2.139 1.00 . A A . 3 MK8 CB1 1 1
4 657 1 1 4 . CD C 1.702 0.203 5.288 1.00 . A A . 3 MK8 CD 1 1
4 658 1 1 4 . CE C 1.058 -0.401 6.560 1.00 . A A . 3 MK8 CE 1 1
4 659 1 1 4 . CG C 3.228 0.150 5.139 1.00 . A A . 3 MK8 CG 1 1
4 660 1 1 4 . HB H 3.416 2.045 4.115 1.00 . A A . 3 MK8 HB 1 1
4 661 1 1 4 . HB1 H 5.168 -0.812 2.903 1.00 . A A . 3 MK8 HB1 1 1
4 662 1 1 4 . HB1A H 4.904 -0.557 1.179 1.00 . A A . 3 MK8 HB1A 1 1
4 663 1 1 4 . HB1B H 3.741 -1.492 2.117 1.00 . A A . 3 MK8 HB1B 1 1
4 664 1 1 4 . HBA H 4.884 1.111 4.161 1.00 . A A . 3 MK8 HBA 1 1
4 665 1 1 4 . HD H 1.285 -0.323 4.437 1.00 . A A . 3 MK8 HD 1 1
4 666 1 1 4 . HDA H 1.394 1.232 5.223 1.00 . A A . 3 MK8 HDA 1 1
4 667 1 1 4 . HE H 1.651 -0.367 7.464 1.00 . A A . 3 MK8 HE 1 1
4 668 1 1 4 . HG H 3.678 0.458 6.074 1.00 . A A . 3 MK8 HG 1 1
4 669 1 1 4 . HGA H 3.505 -0.874 4.945 1.00 . A A . 3 MK8 HGA 1 1
4 670 1 1 4 . HN H 4.946 2.284 1.993 1.00 . A A . 3 MK8 HN 1 1
4 671 1 1 4 . N N 4.269 1.715 1.581 1.00 . A A . 3 MK8 N 1 1
4 672 1 1 4 . O O 1.516 -0.495 1.782 1.00 . A A . 3 MK8 O 1 1
4 673 1 1 5 LEU C C -0.575 1.412 0.830 1.00 . A A . 4 LEU C 1 1
4 674 1 1 5 LEU CA C -0.101 1.917 2.191 1.00 . A A . 4 LEU CA 1 1
4 675 1 1 5 LEU CB C -0.561 3.377 2.433 1.00 . A A . 4 LEU CB 1 1
4 676 1 1 5 LEU CD1 C -2.557 3.242 4.039 1.00 . A A . 4 LEU CD1 1 1
4 677 1 1 5 LEU CD2 C -2.455 5.042 2.300 1.00 . A A . 4 LEU CD2 1 1
4 678 1 1 5 LEU CG C -2.088 3.602 2.623 1.00 . A A . 4 LEU CG 1 1
4 679 1 1 5 LEU H H 1.881 2.539 2.675 1.00 . A A . 4 LEU H 1 1
4 680 1 1 5 LEU HA H -0.560 1.296 2.940 1.00 . A A . 4 LEU HA 1 1
4 681 1 1 5 LEU HB2 H -0.063 3.741 3.319 1.00 . A A . 4 LEU HB2 1 1
4 682 1 1 5 LEU HB3 H -0.238 3.974 1.593 1.00 . A A . 4 LEU HB3 1 1
4 683 1 1 5 LEU HD11 H -2.297 2.214 4.254 1.00 . A A . 4 LEU HD11 1 1
4 684 1 1 5 LEU HD12 H -3.628 3.361 4.105 1.00 . A A . 4 LEU HD12 1 1
4 685 1 1 5 LEU HD13 H -2.076 3.891 4.755 1.00 . A A . 4 LEU HD13 1 1
4 686 1 1 5 LEU HD21 H -3.363 5.059 1.715 1.00 . A A . 4 LEU HD21 1 1
4 687 1 1 5 LEU HD22 H -1.656 5.500 1.737 1.00 . A A . 4 LEU HD22 1 1
4 688 1 1 5 LEU HD23 H -2.609 5.589 3.219 1.00 . A A . 4 LEU HD23 1 1
4 689 1 1 5 LEU HG H -2.620 2.964 1.932 1.00 . A A . 4 LEU HG 1 1
4 690 1 1 5 LEU N N 1.371 1.763 2.361 1.00 . A A . 4 LEU N 1 1
4 691 1 1 5 LEU O O -1.678 0.834 0.754 1.00 . A A . 4 LEU O 1 1
4 692 1 1 6 HIS C C -0.176 -0.341 -1.645 1.00 . A A . 5 HIS C 1 1
4 693 1 1 6 HIS CA C 0.015 1.187 -1.618 1.00 . A A . 5 HIS CA 1 1
4 694 1 1 6 HIS CB C 1.155 1.643 -2.545 1.00 . A A . 5 HIS CB 1 1
4 695 1 1 6 HIS CD2 C 1.429 0.934 -5.035 1.00 . A A . 5 HIS CD2 1 1
4 696 1 1 6 HIS CE1 C -0.282 2.025 -5.866 1.00 . A A . 5 HIS CE1 1 1
4 697 1 1 6 HIS CG C 0.825 1.585 -4.011 1.00 . A A . 5 HIS CG 1 1
4 698 1 1 6 HIS H H 1.137 2.078 -0.053 1.00 . A A . 5 HIS H 1 1
4 699 1 1 6 HIS HA H -0.903 1.655 -1.933 1.00 . A A . 5 HIS HA 1 1
4 700 1 1 6 HIS HB2 H 1.403 2.669 -2.308 1.00 . A A . 5 HIS HB2 1 1
4 701 1 1 6 HIS HB3 H 2.018 1.023 -2.371 1.00 . A A . 5 HIS HB3 1 1
4 702 1 1 6 HIS HD1 H -0.873 2.830 -4.080 1.00 . A A . 5 HIS HD1 1 1
4 703 1 1 6 HIS HD2 H 2.309 0.310 -4.970 1.00 . A A . 5 HIS HD2 1 1
4 704 1 1 6 HIS HE1 H -1.011 2.420 -6.558 1.00 . A A . 5 HIS HE1 1 1
4 705 1 1 6 HIS HE2 H 0.861 0.810 -7.052 1.00 . A A . 5 HIS HE2 1 1
4 706 1 1 6 HIS N N 0.289 1.623 -0.231 1.00 . A A . 5 HIS N 1 1
4 707 1 1 6 HIS ND1 N -0.242 2.260 -4.566 1.00 . A A . 5 HIS ND1 1 1
4 708 1 1 6 HIS NE2 N 0.721 1.225 -6.176 1.00 . A A . 5 HIS NE2 1 1
4 709 1 1 6 HIS O O -1.073 -0.843 -2.344 1.00 . A A . 5 HIS O 1 1
4 710 1 1 7 GLN C C -0.580 -3.042 0.005 1.00 . A A . 6 GLN C 1 1
4 711 1 1 7 GLN CA C 0.692 -2.521 -0.695 1.00 . A A . 6 GLN CA 1 1
4 712 1 1 7 GLN CB C 1.934 -3.017 0.072 1.00 . A A . 6 GLN CB 1 1
4 713 1 1 7 GLN CD C 4.294 -3.932 -0.054 1.00 . A A . 6 GLN CD 1 1
4 714 1 1 7 GLN CG C 3.190 -3.185 -0.782 1.00 . A A . 6 GLN CG 1 1
4 715 1 1 7 GLN H H 1.367 -0.524 -0.349 1.00 . A A . 6 GLN H 1 1
4 716 1 1 7 GLN HA H 0.716 -2.939 -1.691 1.00 . A A . 6 GLN HA 1 1
4 717 1 1 7 GLN HB2 H 2.161 -2.317 0.859 1.00 . A A . 6 GLN HB2 1 1
4 718 1 1 7 GLN HB3 H 1.702 -3.972 0.517 1.00 . A A . 6 GLN HB3 1 1
4 719 1 1 7 GLN HE21 H 4.419 -5.262 -1.530 1.00 . A A . 6 GLN HE21 1 1
4 720 1 1 7 GLN HE22 H 5.500 -5.508 -0.206 1.00 . A A . 6 GLN HE22 1 1
4 721 1 1 7 GLN HG2 H 2.933 -3.730 -1.674 1.00 . A A . 6 GLN HG2 1 1
4 722 1 1 7 GLN HG3 H 3.568 -2.215 -1.054 1.00 . A A . 6 GLN HG3 1 1
4 723 1 1 7 GLN N N 0.697 -1.043 -0.843 1.00 . A A . 6 GLN N 1 1
4 724 1 1 7 GLN NE2 N 4.787 -5.010 -0.658 1.00 . A A . 6 GLN NE2 1 1
4 725 1 1 7 GLN O O -1.246 -3.936 -0.538 1.00 . A A . 6 GLN O 1 1
4 726 1 1 7 GLN OE1 O 4.709 -3.538 1.034 1.00 . A A . 6 GLN OE1 1 1
4 727 1 1 8 . C C -3.386 -2.749 1.228 1.00 . A A . 7 MK8 C 1 1
4 728 1 1 8 . CA C -2.067 -2.882 2.086 1.00 . A A . 7 MK8 CA 1 1
4 729 1 1 8 . CB C -2.224 -1.895 3.298 1.00 . A A . 7 MK8 CB 1 1
4 730 1 1 8 . CB1 C -1.853 -4.333 2.643 1.00 . A A . 7 MK8 CB1 1 1
4 731 1 1 8 . CD C -1.297 -1.199 5.564 1.00 . A A . 7 MK8 CD 1 1
4 732 1 1 8 . CE C -0.192 -0.988 6.670 1.00 . A A . 7 MK8 CE 1 1
4 733 1 1 8 . CG C -0.950 -1.466 4.084 1.00 . A A . 7 MK8 CG 1 1
4 734 1 1 8 . HB H -2.907 -2.346 4.004 1.00 . A A . 7 MK8 HB 1 1
4 735 1 1 8 . HB1 H -1.239 -4.288 3.532 1.00 . A A . 7 MK8 HB1 1 1
4 736 1 1 8 . HB1A H -1.361 -4.938 1.898 1.00 . A A . 7 MK8 HB1A 1 1
4 737 1 1 8 . HB1B H -2.810 -4.768 2.888 1.00 . A A . 7 MK8 HB1B 1 1
4 738 1 1 8 . HBA H -2.680 -0.992 2.927 1.00 . A A . 7 MK8 HBA 1 1
4 739 1 1 8 . HD H -1.914 -2.031 5.888 1.00 . A A . 7 MK8 HD 1 1
4 740 1 1 8 . HDA H -1.914 -0.319 5.589 1.00 . A A . 7 MK8 HDA 1 1
4 741 1 1 8 . HE H -0.448 -1.345 7.659 1.00 . A A . 7 MK8 HE 1 1
4 742 1 1 8 . HG H -0.559 -0.554 3.650 1.00 . A A . 7 MK8 HG 1 1
4 743 1 1 8 . HGA H -0.210 -2.252 4.012 1.00 . A A . 7 MK8 HGA 1 1
4 744 1 1 8 . HN H -0.306 -1.803 1.594 1.00 . A A . 7 MK8 HN 1 1
4 745 1 1 8 . N N -0.892 -2.486 1.241 1.00 . A A . 7 MK8 N 1 1
4 746 1 1 8 . O O -4.373 -3.531 1.383 1.00 . A A . 7 MK8 O 1 1
4 747 1 1 9 LEU C C -4.865 -2.387 -1.572 1.00 . A A . 8 LEU C 1 1
4 748 1 1 9 LEU CA C -4.540 -1.307 -0.522 1.00 . A A . 8 LEU CA 1 1
4 749 1 1 9 LEU CB C -4.293 0.053 -1.217 1.00 . A A . 8 LEU CB 1 1
4 750 1 1 9 LEU CD1 C -6.367 1.486 -0.806 1.00 . A A . 8 LEU CD1 1 1
4 751 1 1 9 LEU CD2 C -5.107 1.690 -2.958 1.00 . A A . 8 LEU CD2 1 1
4 752 1 1 9 LEU CG C -5.532 0.740 -1.849 1.00 . A A . 8 LEU CG 1 1
4 753 1 1 9 LEU H H -2.600 -1.091 0.340 1.00 . A A . 8 LEU H 1 1
4 754 1 1 9 LEU HA H -5.400 -1.198 0.123 1.00 . A A . 8 LEU HA 1 1
4 755 1 1 9 LEU HB2 H -3.871 0.730 -0.488 1.00 . A A . 8 LEU HB2 1 1
4 756 1 1 9 LEU HB3 H -3.565 -0.101 -1.997 1.00 . A A . 8 LEU HB3 1 1
4 757 1 1 9 LEU HD11 H -7.409 1.224 -0.923 1.00 . A A . 8 LEU HD11 1 1
4 758 1 1 9 LEU HD12 H -6.247 2.550 -0.942 1.00 . A A . 8 LEU HD12 1 1
4 759 1 1 9 LEU HD13 H -6.036 1.209 0.184 1.00 . A A . 8 LEU HD13 1 1
4 760 1 1 9 LEU HD21 H -5.392 1.276 -3.914 1.00 . A A . 8 LEU HD21 1 1
4 761 1 1 9 LEU HD22 H -4.037 1.825 -2.927 1.00 . A A . 8 LEU HD22 1 1
4 762 1 1 9 LEU HD23 H -5.596 2.644 -2.820 1.00 . A A . 8 LEU HD23 1 1
4 763 1 1 9 LEU HG H -6.163 -0.019 -2.289 1.00 . A A . 8 LEU HG 1 1
4 764 1 1 9 LEU N N -3.392 -1.672 0.354 1.00 . A A . 8 LEU N 1 1
4 765 1 1 9 LEU O O -6.052 -2.547 -1.916 1.00 . A A . 8 LEU O 1 1
4 766 1 1 10 GLN C C -4.325 -5.512 -2.637 1.00 . A A . 9 GLN C 1 1
4 767 1 1 10 GLN CA C -3.909 -4.124 -3.157 1.00 . A A . 9 GLN CA 1 1
4 768 1 1 10 GLN CB C -2.597 -4.246 -3.957 1.00 . A A . 9 GLN CB 1 1
4 769 1 1 10 GLN CD C -3.310 -3.088 -6.132 1.00 . A A . 9 GLN CD 1 1
4 770 1 1 10 GLN CG C -2.344 -3.105 -4.949 1.00 . A A . 9 GLN CG 1 1
4 771 1 1 10 GLN H H -2.892 -2.847 -1.775 1.00 . A A . 9 GLN H 1 1
4 772 1 1 10 GLN HA H -4.672 -3.783 -3.840 1.00 . A A . 9 GLN HA 1 1
4 773 1 1 10 GLN HB2 H -1.770 -4.272 -3.264 1.00 . A A . 9 GLN HB2 1 1
4 774 1 1 10 GLN HB3 H -2.615 -5.175 -4.508 1.00 . A A . 9 GLN HB3 1 1
4 775 1 1 10 GLN HE21 H -1.789 -3.071 -7.420 1.00 . A A . 9 GLN HE21 1 1
4 776 1 1 10 GLN HE22 H -3.368 -3.058 -8.125 1.00 . A A . 9 GLN HE22 1 1
4 777 1 1 10 GLN HG2 H -2.433 -2.168 -4.425 1.00 . A A . 9 GLN HG2 1 1
4 778 1 1 10 GLN HG3 H -1.338 -3.205 -5.332 1.00 . A A . 9 GLN HG3 1 1
4 779 1 1 10 GLN N N -3.788 -3.082 -2.096 1.00 . A A . 9 GLN N 1 1
4 780 1 1 10 GLN NE2 N -2.767 -3.071 -7.348 1.00 . A A . 9 GLN NE2 1 1
4 781 1 1 10 GLN O O -5.225 -6.129 -3.243 1.00 . A A . 9 GLN O 1 1
4 782 1 1 10 GLN OE1 O -4.526 -3.075 -5.951 1.00 . A A . 9 GLN OE1 1 1
4 783 1 1 11 ASP C C -5.225 -7.503 -0.254 1.00 . A A . 10 ASP C 1 1
4 784 1 1 11 ASP CA C -3.854 -7.350 -0.950 1.00 . A A . 10 ASP CA 1 1
4 785 1 1 11 ASP CB C -2.710 -7.702 0.027 1.00 . A A . 10 ASP CB 1 1
4 786 1 1 11 ASP CG C -2.758 -9.146 0.504 1.00 . A A . 10 ASP CG 1 1
4 787 1 1 11 ASP H H -2.909 -5.453 -1.176 1.00 . A A . 10 ASP H 1 1
4 788 1 1 11 ASP HA H -3.823 -8.060 -1.765 1.00 . A A . 10 ASP HA 1 1
4 789 1 1 11 ASP HB2 H -1.761 -7.547 -0.466 1.00 . A A . 10 ASP HB2 1 1
4 790 1 1 11 ASP HB3 H -2.764 -7.059 0.893 1.00 . A A . 10 ASP HB3 1 1
4 791 1 1 11 ASP N N -3.626 -6.005 -1.550 1.00 . A A . 10 ASP N 1 1
4 792 1 1 11 ASP O O -5.556 -8.644 0.131 1.00 . A A . 10 ASP O 1 1
4 793 1 1 11 ASP OD1 O -2.692 -10.054 -0.350 1.00 . A A . 10 ASP OD1 1 1
4 794 1 1 11 ASP OD2 O -2.862 -9.364 1.728 1.00 . A A . 10 ASP OD2 1 1
4 795 1 1 12 SER C C -8.477 -6.804 -0.430 1.00 . A A . 11 SER C 1 1
4 796 1 1 12 SER CA C -7.348 -6.361 0.556 1.00 . A A . 11 SER CA 1 1
4 797 1 1 12 SER CB C -7.619 -5.005 1.257 1.00 . A A . 11 SER CB 1 1
4 798 1 1 12 SER H H -5.654 -5.510 -0.435 1.00 . A A . 11 SER H 1 1
4 799 1 1 12 SER HA H -7.300 -7.123 1.326 1.00 . A A . 11 SER HA 1 1
4 800 1 1 12 SER HB2 H -8.661 -4.951 1.530 1.00 . A A . 11 SER HB2 1 1
4 801 1 1 12 SER HB3 H -7.014 -4.932 2.150 1.00 . A A . 11 SER HB3 1 1
4 802 1 1 12 SER HG H -8.106 -3.667 -0.088 1.00 . A A . 11 SER HG 1 1
4 803 1 1 12 SER N N -6.006 -6.361 -0.100 1.00 . A A . 11 SER N 1 1
4 804 1 1 12 SER O O -8.732 -8.002 -0.539 1.00 . A A . 11 SER O 1 1
4 805 1 1 12 SER OG O -7.319 -3.917 0.401 1.00 . A A . 11 SER OG 1 1
4 806 1 1 13 NH2 HN1 H -8.966 -4.941 -1.015 1.00 . A A . 12 NH2 HN1 1 1
4 807 1 1 13 NH2 HN2 H -9.874 -6.211 -1.742 1.00 . A A . 12 NH2 HN2 1 1
4 808 1 1 13 NH2 N N -9.175 -5.888 -1.135 1.00 . A A . 12 NH2 N 1 1
5 809 1 1 1 ACE C C 5.139 5.539 3.380 1.00 . A A . 0 ACE C 1 1
5 810 1 1 1 ACE CH3 C 6.354 5.362 4.266 1.00 . A A . 0 ACE CH3 1 1
5 811 1 1 1 ACE H1 H 7.076 4.735 3.763 1.00 . A A . 0 ACE H1 1 1
5 812 1 1 1 ACE H2 H 6.058 4.897 5.194 1.00 . A A . 0 ACE H2 1 1
5 813 1 1 1 ACE H3 H 6.794 6.326 4.469 1.00 . A A . 0 ACE H3 1 1
5 814 1 1 1 ACE O O 4.030 5.126 3.774 1.00 . A A . 0 ACE O 1 1
5 815 1 1 2 HIS C C 3.957 5.183 0.369 1.00 . A A . 1 HIS C 1 1
5 816 1 1 2 HIS CA C 4.335 6.443 1.166 1.00 . A A . 1 HIS CA 1 1
5 817 1 1 2 HIS CB C 4.788 7.564 0.213 1.00 . A A . 1 HIS CB 1 1
5 818 1 1 2 HIS CD2 C 5.545 9.997 0.760 1.00 . A A . 1 HIS CD2 1 1
5 819 1 1 2 HIS CE1 C 3.794 10.614 1.927 1.00 . A A . 1 HIS CE1 1 1
5 820 1 1 2 HIS CG C 4.696 8.937 0.813 1.00 . A A . 1 HIS CG 1 1
5 821 1 1 2 HIS H H 6.293 6.451 1.985 1.00 . A A . 1 HIS H 1 1
5 822 1 1 2 HIS HA H 3.459 6.786 1.698 1.00 . A A . 1 HIS HA 1 1
5 823 1 1 2 HIS HB2 H 5.816 7.399 -0.067 1.00 . A A . 1 HIS HB2 1 1
5 824 1 1 2 HIS HB3 H 4.174 7.547 -0.674 1.00 . A A . 1 HIS HB3 1 1
5 825 1 1 2 HIS HD1 H 2.822 8.820 1.771 1.00 . A A . 1 HIS HD1 1 1
5 826 1 1 2 HIS HD2 H 6.496 10.036 0.245 1.00 . A A . 1 HIS HD2 1 1
5 827 1 1 2 HIS HE1 H 3.107 11.205 2.516 1.00 . A A . 1 HIS HE1 1 1
5 828 1 1 2 HIS HE2 H 5.374 11.888 1.657 1.00 . A A . 1 HIS HE2 1 1
5 829 1 1 2 HIS N N 5.375 6.166 2.177 1.00 . A A . 1 HIS N 1 1
5 830 1 1 2 HIS ND1 N 3.610 9.360 1.553 1.00 . A A . 1 HIS ND1 1 1
5 831 1 1 2 HIS NE2 N 4.959 11.022 1.460 1.00 . A A . 1 HIS NE2 1 1
5 832 1 1 2 HIS O O 2.793 5.061 -0.053 1.00 . A A . 1 HIS O 1 1
5 833 1 1 3 LYS C C 3.963 1.929 0.134 1.00 . A A . 2 LYS C 1 1
5 834 1 1 3 LYS CA C 4.809 2.992 -0.595 1.00 . A A . 2 LYS CA 1 1
5 835 1 1 3 LYS CB C 6.171 2.386 -0.981 1.00 . A A . 2 LYS CB 1 1
5 836 1 1 3 LYS CD C 8.206 2.443 -2.461 1.00 . A A . 2 LYS CD 1 1
5 837 1 1 3 LYS CE C 8.974 3.199 -3.543 1.00 . A A . 2 LYS CE 1 1
5 838 1 1 3 LYS CG C 6.912 3.149 -2.074 1.00 . A A . 2 LYS CG 1 1
5 839 1 1 3 LYS H H 5.854 4.471 0.536 1.00 . A A . 2 LYS H 1 1
5 840 1 1 3 LYS HA H 4.291 3.246 -1.508 1.00 . A A . 2 LYS HA 1 1
5 841 1 1 3 LYS HB2 H 6.803 2.347 -0.109 1.00 . A A . 2 LYS HB2 1 1
5 842 1 1 3 LYS HB3 H 6.008 1.378 -1.331 1.00 . A A . 2 LYS HB3 1 1
5 843 1 1 3 LYS HD2 H 8.832 2.361 -1.586 1.00 . A A . 2 LYS HD2 1 1
5 844 1 1 3 LYS HD3 H 7.967 1.455 -2.826 1.00 . A A . 2 LYS HD3 1 1
5 845 1 1 3 LYS HE2 H 9.220 4.184 -3.175 1.00 . A A . 2 LYS HE2 1 1
5 846 1 1 3 LYS HE3 H 9.887 2.660 -3.756 1.00 . A A . 2 LYS HE3 1 1
5 847 1 1 3 LYS HG2 H 6.277 3.217 -2.946 1.00 . A A . 2 LYS HG2 1 1
5 848 1 1 3 LYS HG3 H 7.148 4.140 -1.721 1.00 . A A . 2 LYS HG3 1 1
5 849 1 1 3 LYS HZ1 H 8.831 3.373 -5.622 1.00 . A A . 2 LYS HZ1 1 1
5 850 1 1 3 LYS HZ2 H 7.625 4.209 -4.781 1.00 . A A . 2 LYS HZ2 1 1
5 851 1 1 3 LYS HZ3 H 7.548 2.525 -4.916 1.00 . A A . 2 LYS HZ3 1 1
5 852 1 1 3 LYS N N 4.972 4.264 0.165 1.00 . A A . 2 LYS N 1 1
5 853 1 1 3 LYS NZ N 8.189 3.336 -4.804 1.00 . A A . 2 LYS NZ 1 1
5 854 1 1 3 LYS O O 3.128 1.257 -0.504 1.00 . A A . 2 LYS O 1 1
5 855 1 1 4 . C C 1.945 0.688 2.036 1.00 . A A . 3 MK8 C 1 1
5 856 1 1 4 . CA C 3.506 0.696 2.355 1.00 . A A . 3 MK8 CA 1 1
5 857 1 1 4 . CB C 3.729 1.070 3.886 1.00 . A A . 3 MK8 CB 1 1
5 858 1 1 4 . CB1 C 4.240 -0.653 2.032 1.00 . A A . 3 MK8 CB1 1 1
5 859 1 1 4 . CD C 1.563 0.320 5.177 1.00 . A A . 3 MK8 CD 1 1
5 860 1 1 4 . CE C 0.911 -0.208 6.474 1.00 . A A . 3 MK8 CE 1 1
5 861 1 1 4 . CG C 3.084 0.192 5.033 1.00 . A A . 3 MK8 CG 1 1
5 862 1 1 4 . HB H 3.371 2.082 4.023 1.00 . A A . 3 MK8 HB 1 1
5 863 1 1 4 . HB1 H 3.757 -1.460 2.564 1.00 . A A . 3 MK8 HB1 1 1
5 864 1 1 4 . HB1A H 5.272 -0.587 2.342 1.00 . A A . 3 MK8 HB1A 1 1
5 865 1 1 4 . HB1B H 4.195 -0.845 0.969 1.00 . A A . 3 MK8 HB1B 1 1
5 866 1 1 4 . HBA H 4.790 1.075 4.065 1.00 . A A . 3 MK8 HBA 1 1
5 867 1 1 4 . HD H 1.120 -0.219 4.347 1.00 . A A . 3 MK8 HD 1 1
5 868 1 1 4 . HDA H 1.300 1.359 5.073 1.00 . A A . 3 MK8 HDA 1 1
5 869 1 1 4 . HE H 1.490 -0.101 7.378 1.00 . A A . 3 MK8 HE 1 1
5 870 1 1 4 . HG H 3.544 0.470 5.971 1.00 . A A . 3 MK8 HG 1 1
5 871 1 1 4 . HGA H 3.309 -0.842 4.831 1.00 . A A . 3 MK8 HGA 1 1
5 872 1 1 4 . HN H 4.899 2.272 1.923 1.00 . A A . 3 MK8 HN 1 1
5 873 1 1 4 . N N 4.205 1.732 1.497 1.00 . A A . 3 MK8 N 1 1
5 874 1 1 4 . O O 1.358 -0.333 1.607 1.00 . A A . 3 MK8 O 1 1
5 875 1 1 5 LEU C C -0.699 1.634 0.810 1.00 . A A . 4 LEU C 1 1
5 876 1 1 5 LEU CA C -0.174 2.106 2.169 1.00 . A A . 4 LEU CA 1 1
5 877 1 1 5 LEU CB C -0.555 3.580 2.434 1.00 . A A . 4 LEU CB 1 1
5 878 1 1 5 LEU CD1 C -2.478 3.543 4.122 1.00 . A A . 4 LEU CD1 1 1
5 879 1 1 5 LEU CD2 C -2.379 5.318 2.353 1.00 . A A . 4 LEU CD2 1 1
5 880 1 1 5 LEU CG C -2.059 3.868 2.682 1.00 . A A . 4 LEU CG 1 1
5 881 1 1 5 LEU H H 1.826 2.620 2.693 1.00 . A A . 4 LEU H 1 1
5 882 1 1 5 LEU HA H -0.649 1.502 2.924 1.00 . A A . 4 LEU HA 1 1
5 883 1 1 5 LEU HB2 H -0.008 3.913 3.303 1.00 . A A . 4 LEU HB2 1 1
5 884 1 1 5 LEU HB3 H -0.237 4.166 1.586 1.00 . A A . 4 LEU HB3 1 1
5 885 1 1 5 LEU HD11 H -2.172 2.534 4.367 1.00 . A A . 4 LEU HD11 1 1
5 886 1 1 5 LEU HD12 H -3.550 3.624 4.213 1.00 . A A . 4 LEU HD12 1 1
5 887 1 1 5 LEU HD13 H -2.004 4.236 4.800 1.00 . A A . 4 LEU HD13 1 1
5 888 1 1 5 LEU HD21 H -1.518 5.783 1.896 1.00 . A A . 4 LEU HD21 1 1
5 889 1 1 5 LEU HD22 H -2.634 5.845 3.260 1.00 . A A . 4 LEU HD22 1 1
5 890 1 1 5 LEU HD23 H -3.213 5.355 1.668 1.00 . A A . 4 LEU HD23 1 1
5 891 1 1 5 LEU HG H -2.646 3.245 2.024 1.00 . A A . 4 LEU HG 1 1
5 892 1 1 5 LEU N N 1.290 1.886 2.325 1.00 . A A . 4 LEU N 1 1
5 893 1 1 5 LEU O O -1.864 1.188 0.740 1.00 . A A . 4 LEU O 1 1
5 894 1 1 6 HIS C C -0.327 -0.249 -1.615 1.00 . A A . 5 HIS C 1 1
5 895 1 1 6 HIS CA C -0.119 1.265 -1.617 1.00 . A A . 5 HIS CA 1 1
5 896 1 1 6 HIS CB C 0.997 1.667 -2.587 1.00 . A A . 5 HIS CB 1 1
5 897 1 1 6 HIS CD2 C 0.729 3.401 -4.508 1.00 . A A . 5 HIS CD2 1 1
5 898 1 1 6 HIS CE1 C 0.415 5.192 -3.286 1.00 . A A . 5 HIS CE1 1 1
5 899 1 1 6 HIS CG C 0.788 3.019 -3.207 1.00 . A A . 5 HIS CG 1 1
5 900 1 1 6 HIS H H 1.094 2.053 -0.065 1.00 . A A . 5 HIS H 1 1
5 901 1 1 6 HIS HA H -1.038 1.746 -1.919 1.00 . A A . 5 HIS HA 1 1
5 902 1 1 6 HIS HB2 H 1.935 1.688 -2.054 1.00 . A A . 5 HIS HB2 1 1
5 903 1 1 6 HIS HB3 H 1.054 0.940 -3.382 1.00 . A A . 5 HIS HB3 1 1
5 904 1 1 6 HIS HD1 H 0.585 4.225 -1.489 1.00 . A A . 5 HIS HD1 1 1
5 905 1 1 6 HIS HD2 H 0.845 2.760 -5.372 1.00 . A A . 5 HIS HD2 1 1
5 906 1 1 6 HIS HE1 H 0.222 6.212 -2.990 1.00 . A A . 5 HIS HE1 1 1
5 907 1 1 6 HIS HE2 H 0.263 5.277 -5.324 1.00 . A A . 5 HIS HE2 1 1
5 908 1 1 6 HIS N N 0.194 1.710 -0.244 1.00 . A A . 5 HIS N 1 1
5 909 1 1 6 HIS ND1 N 0.591 4.167 -2.467 1.00 . A A . 5 HIS ND1 1 1
5 910 1 1 6 HIS NE2 N 0.497 4.754 -4.528 1.00 . A A . 5 HIS NE2 1 1
5 911 1 1 6 HIS O O -1.278 -0.751 -2.239 1.00 . A A . 5 HIS O 1 1
5 912 1 1 7 GLN C C -0.668 -2.968 -0.036 1.00 . A A . 6 GLN C 1 1
5 913 1 1 7 GLN CA C 0.608 -2.423 -0.721 1.00 . A A . 6 GLN CA 1 1
5 914 1 1 7 GLN CB C 1.858 -2.873 0.058 1.00 . A A . 6 GLN CB 1 1
5 915 1 1 7 GLN CD C 3.096 -4.200 -1.726 1.00 . A A . 6 GLN CD 1 1
5 916 1 1 7 GLN CG C 3.122 -3.002 -0.794 1.00 . A A . 6 GLN CG 1 1
5 917 1 1 7 GLN H H 1.310 -0.428 -0.442 1.00 . A A . 6 GLN H 1 1
5 918 1 1 7 GLN HA H 0.660 -2.846 -1.713 1.00 . A A . 6 GLN HA 1 1
5 919 1 1 7 GLN HB2 H 2.058 -2.160 0.841 1.00 . A A . 6 GLN HB2 1 1
5 920 1 1 7 GLN HB3 H 1.657 -3.832 0.508 1.00 . A A . 6 GLN HB3 1 1
5 921 1 1 7 GLN HE21 H 4.676 -4.988 -0.810 1.00 . A A . 6 GLN HE21 1 1
5 922 1 1 7 GLN HE22 H 4.030 -5.907 -2.120 1.00 . A A . 6 GLN HE22 1 1
5 923 1 1 7 GLN HG2 H 3.231 -2.115 -1.394 1.00 . A A . 6 GLN HG2 1 1
5 924 1 1 7 GLN HG3 H 3.975 -3.094 -0.138 1.00 . A A . 6 GLN HG3 1 1
5 925 1 1 7 GLN N N 0.600 -0.948 -0.880 1.00 . A A . 6 GLN N 1 1
5 926 1 1 7 GLN NE2 N 4.029 -5.125 -1.532 1.00 . A A . 6 GLN NE2 1 1
5 927 1 1 7 GLN O O -1.363 -3.805 -0.631 1.00 . A A . 6 GLN O 1 1
5 928 1 1 7 GLN OE1 O 2.247 -4.292 -2.612 1.00 . A A . 6 GLN OE1 1 1
5 929 1 1 8 . C C -3.446 -2.919 1.249 1.00 . A A . 7 MK8 C 1 1
5 930 1 1 8 . CA C -2.098 -2.951 2.090 1.00 . A A . 7 MK8 CA 1 1
5 931 1 1 8 . CB C -2.314 -1.978 3.303 1.00 . A A . 7 MK8 CB 1 1
5 932 1 1 8 . CB1 C -1.773 -4.371 2.645 1.00 . A A . 7 MK8 CB1 1 1
5 933 1 1 8 . CD C -1.415 -1.118 5.518 1.00 . A A . 7 MK8 CD 1 1
5 934 1 1 8 . CE C -0.326 -0.809 6.611 1.00 . A A . 7 MK8 CE 1 1
5 935 1 1 8 . CG C -1.066 -1.431 4.052 1.00 . A A . 7 MK8 CG 1 1
5 936 1 1 8 . HB H -2.932 -2.490 4.028 1.00 . A A . 7 MK8 HB 1 1
5 937 1 1 8 . HB1 H -0.744 -4.616 2.423 1.00 . A A . 7 MK8 HB1 1 1
5 938 1 1 8 . HB1A H -2.424 -5.096 2.186 1.00 . A A . 7 MK8 HB1A 1 1
5 939 1 1 8 . HB1B H -1.922 -4.381 3.717 1.00 . A A . 7 MK8 HB1B 1 1
5 940 1 1 8 . HBA H -2.865 -1.123 2.945 1.00 . A A . 7 MK8 HBA 1 1
5 941 1 1 8 . HD H -1.992 -1.964 5.877 1.00 . A A . 7 MK8 HD 1 1
5 942 1 1 8 . HDA H -2.074 -0.270 5.507 1.00 . A A . 7 MK8 HDA 1 1
5 943 1 1 8 . HE H -0.584 -1.101 7.619 1.00 . A A . 7 MK8 HE 1 1
5 944 1 1 8 . HG H -0.739 -0.518 3.575 1.00 . A A . 7 MK8 HG 1 1
5 945 1 1 8 . HGA H -0.277 -2.168 4.008 1.00 . A A . 7 MK8 HGA 1 1
5 946 1 1 8 . HN H -0.310 -1.878 1.639 1.00 . A A . 7 MK8 HN 1 1
5 947 1 1 8 . N N -0.936 -2.507 1.244 1.00 . A A . 7 MK8 N 1 1
5 948 1 1 8 . O O -4.370 -3.768 1.431 1.00 . A A . 7 MK8 O 1 1
5 949 1 1 9 LEU C C -5.035 -2.683 -1.524 1.00 . A A . 8 LEU C 1 1
5 950 1 1 9 LEU CA C -4.750 -1.578 -0.484 1.00 . A A . 8 LEU CA 1 1
5 951 1 1 9 LEU CB C -4.600 -0.210 -1.194 1.00 . A A . 8 LEU CB 1 1
5 952 1 1 9 LEU CD1 C -6.742 1.104 -0.768 1.00 . A A . 8 LEU CD1 1 1
5 953 1 1 9 LEU CD2 C -5.521 1.364 -2.935 1.00 . A A . 8 LEU CD2 1 1
5 954 1 1 9 LEU CG C -5.882 0.398 -1.816 1.00 . A A . 8 LEU CG 1 1
5 955 1 1 9 LEU H H -2.816 -1.213 0.337 1.00 . A A . 8 LEU H 1 1
5 956 1 1 9 LEU HA H -5.601 -1.521 0.178 1.00 . A A . 8 LEU HA 1 1
5 957 1 1 9 LEU HB2 H -4.212 0.498 -0.478 1.00 . A A . 8 LEU HB2 1 1
5 958 1 1 9 LEU HB3 H -3.874 -0.325 -1.983 1.00 . A A . 8 LEU HB3 1 1
5 959 1 1 9 LEU HD11 H -6.605 2.172 -0.852 1.00 . A A . 8 LEU HD11 1 1
5 960 1 1 9 LEU HD12 H -6.448 0.780 0.218 1.00 . A A . 8 LEU HD12 1 1
5 961 1 1 9 LEU HD13 H -7.781 0.860 -0.933 1.00 . A A . 8 LEU HD13 1 1
5 962 1 1 9 LEU HD21 H -4.452 1.517 -2.949 1.00 . A A . 8 LEU HD21 1 1
5 963 1 1 9 LEU HD22 H -6.018 2.309 -2.769 1.00 . A A . 8 LEU HD22 1 1
5 964 1 1 9 LEU HD23 H -5.839 0.952 -3.882 1.00 . A A . 8 LEU HD23 1 1
5 965 1 1 9 LEU HG H -6.474 -0.397 -2.244 1.00 . A A . 8 LEU HG 1 1
5 966 1 1 9 LEU N N -3.555 -1.854 0.369 1.00 . A A . 8 LEU N 1 1
5 967 1 1 9 LEU O O -6.221 -2.956 -1.791 1.00 . A A . 8 LEU O 1 1
5 968 1 1 10 GLN C C -4.261 -5.720 -2.657 1.00 . A A . 9 GLN C 1 1
5 969 1 1 10 GLN CA C -4.024 -4.306 -3.195 1.00 . A A . 9 GLN CA 1 1
5 970 1 1 10 GLN CB C -2.771 -4.286 -4.081 1.00 . A A . 9 GLN CB 1 1
5 971 1 1 10 GLN CD C -1.392 -3.002 -5.780 1.00 . A A . 9 GLN CD 1 1
5 972 1 1 10 GLN CG C -2.694 -3.073 -5.000 1.00 . A A . 9 GLN CG 1 1
5 973 1 1 10 GLN H H -3.047 -2.951 -1.867 1.00 . A A . 9 GLN H 1 1
5 974 1 1 10 GLN HA H -4.872 -4.046 -3.812 1.00 . A A . 9 GLN HA 1 1
5 975 1 1 10 GLN HB2 H -1.894 -4.289 -3.453 1.00 . A A . 9 GLN HB2 1 1
5 976 1 1 10 GLN HB3 H -2.765 -5.175 -4.695 1.00 . A A . 9 GLN HB3 1 1
5 977 1 1 10 GLN HE21 H -2.389 -2.881 -7.500 1.00 . A A . 9 GLN HE21 1 1
5 978 1 1 10 GLN HE22 H -0.665 -2.853 -7.630 1.00 . A A . 9 GLN HE22 1 1
5 979 1 1 10 GLN HG2 H -3.512 -3.122 -5.705 1.00 . A A . 9 GLN HG2 1 1
5 980 1 1 10 GLN HG3 H -2.789 -2.179 -4.403 1.00 . A A . 9 GLN HG3 1 1
5 981 1 1 10 GLN N N -3.934 -3.266 -2.130 1.00 . A A . 9 GLN N 1 1
5 982 1 1 10 GLN NE2 N -1.493 -2.903 -7.104 1.00 . A A . 9 GLN NE2 1 1
5 983 1 1 10 GLN O O -5.006 -6.484 -3.306 1.00 . A A . 9 GLN O 1 1
5 984 1 1 10 GLN OE1 O -0.308 -3.022 -5.199 1.00 . A A . 9 GLN OE1 1 1
5 985 1 1 11 ASP C C -5.144 -7.584 -0.278 1.00 . A A . 10 ASP C 1 1
5 986 1 1 11 ASP CA C -3.728 -7.376 -0.821 1.00 . A A . 10 ASP CA 1 1
5 987 1 1 11 ASP CB C -2.675 -7.527 0.296 1.00 . A A . 10 ASP CB 1 1
5 988 1 1 11 ASP CG C -2.661 -8.913 0.922 1.00 . A A . 10 ASP CG 1 1
5 989 1 1 11 ASP H H -3.056 -5.372 -1.056 1.00 . A A . 10 ASP H 1 1
5 990 1 1 11 ASP HA H -3.544 -8.127 -1.577 1.00 . A A . 10 ASP HA 1 1
5 991 1 1 11 ASP HB2 H -1.694 -7.340 -0.116 1.00 . A A . 10 ASP HB2 1 1
5 992 1 1 11 ASP HB3 H -2.874 -6.805 1.072 1.00 . A A . 10 ASP HB3 1 1
5 993 1 1 11 ASP N N -3.616 -6.051 -1.479 1.00 . A A . 10 ASP N 1 1
5 994 1 1 11 ASP O O -5.612 -8.737 -0.213 1.00 . A A . 10 ASP O 1 1
5 995 1 1 11 ASP OD1 O -3.708 -9.334 1.456 1.00 . A A . 10 ASP OD1 1 1
5 996 1 1 11 ASP OD2 O -1.603 -9.573 0.878 1.00 . A A . 10 ASP OD2 1 1
5 997 1 1 12 SER C C -8.199 -6.427 -0.521 1.00 . A A . 11 SER C 1 1
5 998 1 1 12 SER CA C -7.183 -6.398 0.622 1.00 . A A . 11 SER CA 1 1
5 999 1 1 12 SER CB C -7.390 -5.148 1.488 1.00 . A A . 11 SER CB 1 1
5 1000 1 1 12 SER H H -5.340 -5.579 -0.021 1.00 . A A . 11 SER H 1 1
5 1001 1 1 12 SER HA H -7.325 -7.280 1.232 1.00 . A A . 11 SER HA 1 1
5 1002 1 1 12 SER HB2 H -8.351 -5.201 1.978 1.00 . A A . 11 SER HB2 1 1
5 1003 1 1 12 SER HB3 H -6.612 -5.097 2.237 1.00 . A A . 11 SER HB3 1 1
5 1004 1 1 12 SER HG H -8.192 -3.836 0.274 1.00 . A A . 11 SER HG 1 1
5 1005 1 1 12 SER N N -5.806 -6.432 0.090 1.00 . A A . 11 SER N 1 1
5 1006 1 1 12 SER O O -9.382 -6.684 -0.304 1.00 . A A . 11 SER O 1 1
5 1007 1 1 12 SER OG O -7.342 -3.969 0.703 1.00 . A A . 11 SER OG 1 1
5 1008 1 1 13 NH2 HN1 H -6.778 -5.977 -1.848 1.00 . A A . 12 NH2 HN1 1 1
5 1009 1 1 13 NH2 HN2 H -8.366 -6.183 -2.492 1.00 . A A . 12 NH2 HN2 1 1
5 1010 1 1 13 NH2 N N -7.734 -6.170 -1.744 1.00 . A A . 12 NH2 N 1 1
6 1011 1 1 1 ACE C C 5.381 5.522 3.373 1.00 . A A . 0 ACE C 1 1
6 1012 1 1 1 ACE CH3 C 6.659 5.337 4.165 1.00 . A A . 0 ACE CH3 1 1
6 1013 1 1 1 ACE H1 H 6.597 4.427 4.743 1.00 . A A . 0 ACE H1 1 1
6 1014 1 1 1 ACE H2 H 6.793 6.177 4.831 1.00 . A A . 0 ACE H2 1 1
6 1015 1 1 1 ACE H3 H 7.498 5.278 3.488 1.00 . A A . 0 ACE H3 1 1
6 1016 1 1 1 ACE O O 4.304 5.116 3.851 1.00 . A A . 0 ACE O 1 1
6 1017 1 1 2 HIS C C 3.947 5.199 0.471 1.00 . A A . 1 HIS C 1 1
6 1018 1 1 2 HIS CA C 4.406 6.457 1.240 1.00 . A A . 1 HIS CA 1 1
6 1019 1 1 2 HIS CB C 4.807 7.583 0.263 1.00 . A A . 1 HIS CB 1 1
6 1020 1 1 2 HIS CD2 C 3.265 9.578 -0.388 1.00 . A A . 1 HIS CD2 1 1
6 1021 1 1 2 HIS CE1 C 1.793 8.468 -1.573 1.00 . A A . 1 HIS CE1 1 1
6 1022 1 1 2 HIS CG C 3.640 8.275 -0.387 1.00 . A A . 1 HIS CG 1 1
6 1023 1 1 2 HIS H H 6.425 6.454 1.896 1.00 . A A . 1 HIS H 1 1
6 1024 1 1 2 HIS HA H 3.581 6.811 1.844 1.00 . A A . 1 HIS HA 1 1
6 1025 1 1 2 HIS HB2 H 5.373 8.330 0.801 1.00 . A A . 1 HIS HB2 1 1
6 1026 1 1 2 HIS HB3 H 5.426 7.173 -0.520 1.00 . A A . 1 HIS HB3 1 1
6 1027 1 1 2 HIS HD1 H 2.691 6.646 -1.328 1.00 . A A . 1 HIS HD1 1 1
6 1028 1 1 2 HIS HD2 H 3.778 10.395 0.102 1.00 . A A . 1 HIS HD2 1 1
6 1029 1 1 2 HIS HE1 H 0.935 8.229 -2.184 1.00 . A A . 1 HIS HE1 1 1
6 1030 1 1 2 HIS HE2 H 1.541 10.463 -1.194 1.00 . A A . 1 HIS HE2 1 1
6 1031 1 1 2 HIS N N 5.525 6.161 2.157 1.00 . A A . 1 HIS N 1 1
6 1032 1 1 2 HIS ND1 N 2.697 7.608 -1.139 1.00 . A A . 1 HIS ND1 1 1
6 1033 1 1 2 HIS NE2 N 2.114 9.670 -1.132 1.00 . A A . 1 HIS NE2 1 1
6 1034 1 1 2 HIS O O 2.737 5.077 0.197 1.00 . A A . 1 HIS O 1 1
6 1035 1 1 3 LYS C C 3.916 1.944 0.105 1.00 . A A . 2 LYS C 1 1
6 1036 1 1 3 LYS CA C 4.671 3.047 -0.674 1.00 . A A . 2 LYS CA 1 1
6 1037 1 1 3 LYS CB C 5.957 2.474 -1.323 1.00 . A A . 2 LYS CB 1 1
6 1038 1 1 3 LYS CD C 8.213 1.388 -1.133 1.00 . A A . 2 LYS CD 1 1
6 1039 1 1 3 LYS CE C 9.300 0.866 -0.198 1.00 . A A . 2 LYS CE 1 1
6 1040 1 1 3 LYS CG C 7.102 2.113 -0.382 1.00 . A A . 2 LYS CG 1 1
6 1041 1 1 3 LYS H H 5.862 4.500 0.348 1.00 . A A . 2 LYS H 1 1
6 1042 1 1 3 LYS HA H 4.023 3.350 -1.481 1.00 . A A . 2 LYS HA 1 1
6 1043 1 1 3 LYS HB2 H 5.693 1.578 -1.858 1.00 . A A . 2 LYS HB2 1 1
6 1044 1 1 3 LYS HB3 H 6.326 3.197 -2.034 1.00 . A A . 2 LYS HB3 1 1
6 1045 1 1 3 LYS HD2 H 7.786 0.554 -1.667 1.00 . A A . 2 LYS HD2 1 1
6 1046 1 1 3 LYS HD3 H 8.660 2.075 -1.838 1.00 . A A . 2 LYS HD3 1 1
6 1047 1 1 3 LYS HE2 H 10.058 0.377 -0.793 1.00 . A A . 2 LYS HE2 1 1
6 1048 1 1 3 LYS HE3 H 9.743 1.699 0.327 1.00 . A A . 2 LYS HE3 1 1
6 1049 1 1 3 LYS HG2 H 7.511 3.015 0.039 1.00 . A A . 2 LYS HG2 1 1
6 1050 1 1 3 LYS HG3 H 6.734 1.469 0.401 1.00 . A A . 2 LYS HG3 1 1
6 1051 1 1 3 LYS HZ1 H 8.229 0.389 1.533 1.00 . A A . 2 LYS HZ1 1 1
6 1052 1 1 3 LYS HZ2 H 9.551 -0.626 1.245 1.00 . A A . 2 LYS HZ2 1 1
6 1053 1 1 3 LYS HZ3 H 8.142 -0.794 0.325 1.00 . A A . 2 LYS HZ3 1 1
6 1054 1 1 3 LYS N N 4.937 4.293 0.105 1.00 . A A . 2 LYS N 1 1
6 1055 1 1 3 LYS NZ N 8.768 -0.110 0.796 1.00 . A A . 2 LYS NZ 1 1
6 1056 1 1 3 LYS O O 3.140 1.186 -0.512 1.00 . A A . 2 LYS O 1 1
6 1057 1 1 4 . C C 1.946 0.707 2.067 1.00 . A A . 3 MK8 C 1 1
6 1058 1 1 4 . CA C 3.506 0.777 2.373 1.00 . A A . 3 MK8 CA 1 1
6 1059 1 1 4 . CB C 3.735 1.179 3.899 1.00 . A A . 3 MK8 CB 1 1
6 1060 1 1 4 . CB1 C 4.281 -0.557 2.074 1.00 . A A . 3 MK8 CB1 1 1
6 1061 1 1 4 . CD C 1.574 0.490 5.222 1.00 . A A . 3 MK8 CD 1 1
6 1062 1 1 4 . CE C 0.893 -0.122 6.469 1.00 . A A . 3 MK8 CE 1 1
6 1063 1 1 4 . CG C 3.089 0.317 5.056 1.00 . A A . 3 MK8 CG 1 1
6 1064 1 1 4 . HB H 3.377 2.193 4.021 1.00 . A A . 3 MK8 HB 1 1
6 1065 1 1 4 . HB1 H 4.740 -0.496 1.097 1.00 . A A . 3 MK8 HB1 1 1
6 1066 1 1 4 . HB1A H 3.590 -1.386 2.094 1.00 . A A . 3 MK8 HB1A 1 1
6 1067 1 1 4 . HB1B H 5.044 -0.707 2.824 1.00 . A A . 3 MK8 HB1B 1 1
6 1068 1 1 4 . HBA H 4.797 1.186 4.077 1.00 . A A . 3 MK8 HBA 1 1
6 1069 1 1 4 . HD H 1.108 0.049 4.349 1.00 . A A . 3 MK8 HD 1 1
6 1070 1 1 4 . HDA H 1.357 1.544 5.217 1.00 . A A . 3 MK8 HDA 1 1
6 1071 1 1 4 . HE H 1.472 -0.122 7.381 1.00 . A A . 3 MK8 HE 1 1
6 1072 1 1 4 . HG H 3.572 0.585 5.988 1.00 . A A . 3 MK8 HG 1 1
6 1073 1 1 4 . HGA H 3.284 -0.724 4.853 1.00 . A A . 3 MK8 HGA 1 1
6 1074 1 1 4 . HN H 4.773 2.444 1.898 1.00 . A A . 3 MK8 HN 1 1
6 1075 1 1 4 . N N 4.146 1.826 1.483 1.00 . A A . 3 MK8 N 1 1
6 1076 1 1 4 . O O 1.390 -0.337 1.653 1.00 . A A . 3 MK8 O 1 1
6 1077 1 1 5 LEU C C -0.744 1.592 0.865 1.00 . A A . 4 LEU C 1 1
6 1078 1 1 5 LEU CA C -0.223 2.044 2.230 1.00 . A A . 4 LEU CA 1 1
6 1079 1 1 5 LEU CB C -0.646 3.502 2.544 1.00 . A A . 4 LEU CB 1 1
6 1080 1 1 5 LEU CD1 C -2.644 3.342 4.140 1.00 . A A . 4 LEU CD1 1 1
6 1081 1 1 5 LEU CD2 C -2.470 5.238 2.511 1.00 . A A . 4 LEU CD2 1 1
6 1082 1 1 5 LEU CG C -2.162 3.769 2.747 1.00 . A A . 4 LEU CG 1 1
6 1083 1 1 5 LEU H H 1.761 2.633 2.725 1.00 . A A . 4 LEU H 1 1
6 1084 1 1 5 LEU HA H -0.669 1.401 2.971 1.00 . A A . 4 LEU HA 1 1
6 1085 1 1 5 LEU HB2 H -0.137 3.806 3.447 1.00 . A A . 4 LEU HB2 1 1
6 1086 1 1 5 LEU HB3 H -0.303 4.130 1.735 1.00 . A A . 4 LEU HB3 1 1
6 1087 1 1 5 LEU HD11 H -3.666 2.996 4.076 1.00 . A A . 4 LEU HD11 1 1
6 1088 1 1 5 LEU HD12 H -2.590 4.182 4.814 1.00 . A A . 4 LEU HD12 1 1
6 1089 1 1 5 LEU HD13 H -2.017 2.542 4.507 1.00 . A A . 4 LEU HD13 1 1
6 1090 1 1 5 LEU HD21 H -3.491 5.442 2.795 1.00 . A A . 4 LEU HD21 1 1
6 1091 1 1 5 LEU HD22 H -2.333 5.470 1.465 1.00 . A A . 4 LEU HD22 1 1
6 1092 1 1 5 LEU HD23 H -1.803 5.845 3.105 1.00 . A A . 4 LEU HD23 1 1
6 1093 1 1 5 LEU HG H -2.718 3.196 2.021 1.00 . A A . 4 LEU HG 1 1
6 1094 1 1 5 LEU N N 1.249 1.878 2.363 1.00 . A A . 4 LEU N 1 1
6 1095 1 1 5 LEU O O -1.928 1.204 0.776 1.00 . A A . 4 LEU O 1 1
6 1096 1 1 6 HIS C C -0.331 -0.296 -1.589 1.00 . A A . 5 HIS C 1 1
6 1097 1 1 6 HIS CA C -0.149 1.223 -1.556 1.00 . A A . 5 HIS CA 1 1
6 1098 1 1 6 HIS CB C 0.960 1.684 -2.512 1.00 . A A . 5 HIS CB 1 1
6 1099 1 1 6 HIS CD2 C 0.526 2.720 -4.857 1.00 . A A . 5 HIS CD2 1 1
6 1100 1 1 6 HIS CE1 C -0.142 0.906 -5.889 1.00 . A A . 5 HIS CE1 1 1
6 1101 1 1 6 HIS CG C 0.561 1.702 -3.958 1.00 . A A . 5 HIS CG 1 1
6 1102 1 1 6 HIS H H 1.072 1.947 0.019 1.00 . A A . 5 HIS H 1 1
6 1103 1 1 6 HIS HA H -1.081 1.690 -1.837 1.00 . A A . 5 HIS HA 1 1
6 1104 1 1 6 HIS HB2 H 1.256 2.688 -2.244 1.00 . A A . 5 HIS HB2 1 1
6 1105 1 1 6 HIS HB3 H 1.808 1.027 -2.409 1.00 . A A . 5 HIS HB3 1 1
6 1106 1 1 6 HIS HD1 H 0.054 -0.321 -4.263 1.00 . A A . 5 HIS HD1 1 1
6 1107 1 1 6 HIS HD2 H 0.799 3.752 -4.675 1.00 . A A . 5 HIS HD2 1 1
6 1108 1 1 6 HIS HE1 H -0.494 0.233 -6.654 1.00 . A A . 5 HIS HE1 1 1
6 1109 1 1 6 HIS HE2 H -0.113 2.711 -6.855 1.00 . A A . 5 HIS HE2 1 1
6 1110 1 1 6 HIS N N 0.164 1.637 -0.174 1.00 . A A . 5 HIS N 1 1
6 1111 1 1 6 HIS ND1 N 0.136 0.581 -4.638 1.00 . A A . 5 HIS ND1 1 1
6 1112 1 1 6 HIS NE2 N 0.086 2.196 -6.045 1.00 . A A . 5 HIS NE2 1 1
6 1113 1 1 6 HIS O O -1.270 -0.798 -2.231 1.00 . A A . 5 HIS O 1 1
6 1114 1 1 7 GLN C C -0.593 -3.039 0.024 1.00 . A A . 6 GLN C 1 1
6 1115 1 1 7 GLN CA C 0.627 -2.479 -0.736 1.00 . A A . 6 GLN CA 1 1
6 1116 1 1 7 GLN CB C 1.920 -2.940 -0.040 1.00 . A A . 6 GLN CB 1 1
6 1117 1 1 7 GLN CD C 3.082 -4.386 -1.757 1.00 . A A . 6 GLN CD 1 1
6 1118 1 1 7 GLN CG C 3.118 -3.093 -0.970 1.00 . A A . 6 GLN CG 1 1
6 1119 1 1 7 GLN H H 1.300 -0.481 -0.410 1.00 . A A . 6 GLN H 1 1
6 1120 1 1 7 GLN HA H 0.615 -2.886 -1.736 1.00 . A A . 6 GLN HA 1 1
6 1121 1 1 7 GLN HB2 H 2.182 -2.229 0.725 1.00 . A A . 6 GLN HB2 1 1
6 1122 1 1 7 GLN HB3 H 1.736 -3.895 0.427 1.00 . A A . 6 GLN HB3 1 1
6 1123 1 1 7 GLN HE21 H 4.844 -4.925 -1.003 1.00 . A A . 6 GLN HE21 1 1
6 1124 1 1 7 GLN HE22 H 4.121 -6.044 -2.098 1.00 . A A . 6 GLN HE22 1 1
6 1125 1 1 7 GLN HG2 H 3.127 -2.274 -1.669 1.00 . A A . 6 GLN HG2 1 1
6 1126 1 1 7 GLN HG3 H 4.023 -3.070 -0.379 1.00 . A A . 6 GLN HG3 1 1
6 1127 1 1 7 GLN N N 0.601 -1.000 -0.863 1.00 . A A . 6 GLN N 1 1
6 1128 1 1 7 GLN NE2 N 4.121 -5.201 -1.605 1.00 . A A . 6 GLN NE2 1 1
6 1129 1 1 7 GLN O O -1.160 -4.054 -0.406 1.00 . A A . 6 GLN O 1 1
6 1130 1 1 7 GLN OE1 O 2.135 -4.651 -2.495 1.00 . A A . 6 GLN OE1 1 1
6 1131 1 1 8 . C C -3.442 -2.795 1.216 1.00 . A A . 7 MK8 C 1 1
6 1132 1 1 8 . CA C -2.115 -2.781 2.073 1.00 . A A . 7 MK8 CA 1 1
6 1133 1 1 8 . CB C -2.335 -1.706 3.198 1.00 . A A . 7 MK8 CB 1 1
6 1134 1 1 8 . CB1 C -1.817 -4.168 2.752 1.00 . A A . 7 MK8 CB1 1 1
6 1135 1 1 8 . CD C -1.463 -0.835 5.422 1.00 . A A . 7 MK8 CD 1 1
6 1136 1 1 8 . CE C -0.372 -0.676 6.548 1.00 . A A . 7 MK8 CE 1 1
6 1137 1 1 8 . CG C -1.092 -1.147 3.958 1.00 . A A . 7 MK8 CG 1 1
6 1138 1 1 8 . HB H -3.004 -2.132 3.932 1.00 . A A . 7 MK8 HB 1 1
6 1139 1 1 8 . HB1 H -1.352 -4.826 2.034 1.00 . A A . 7 MK8 HB1 1 1
6 1140 1 1 8 . HB1A H -2.742 -4.605 3.095 1.00 . A A . 7 MK8 HB1A 1 1
6 1141 1 1 8 . HB1B H -1.154 -4.021 3.593 1.00 . A A . 7 MK8 HB1B 1 1
6 1142 1 1 8 . HBA H -2.833 -0.860 2.749 1.00 . A A . 7 MK8 HBA 1 1
6 1143 1 1 8 . HD H -2.140 -1.621 5.742 1.00 . A A . 7 MK8 HD 1 1
6 1144 1 1 8 . HDA H -2.022 0.084 5.417 1.00 . A A . 7 MK8 HDA 1 1
6 1145 1 1 8 . HE H -0.652 -1.046 7.525 1.00 . A A . 7 MK8 HE 1 1
6 1146 1 1 8 . HG H -0.766 -0.231 3.480 1.00 . A A . 7 MK8 HG 1 1
6 1147 1 1 8 . HGA H -0.299 -1.880 3.924 1.00 . A A . 7 MK8 HGA 1 1
6 1148 1 1 8 . HN H -0.462 -1.597 1.444 1.00 . A A . 7 MK8 HN 1 1
6 1149 1 1 8 . N N -0.973 -2.374 1.184 1.00 . A A . 7 MK8 N 1 1
6 1150 1 1 8 . O O -4.367 -3.635 1.411 1.00 . A A . 7 MK8 O 1 1
6 1151 1 1 9 LEU C C -4.994 -2.635 -1.589 1.00 . A A . 8 LEU C 1 1
6 1152 1 1 9 LEU CA C -4.703 -1.505 -0.578 1.00 . A A . 8 LEU CA 1 1
6 1153 1 1 9 LEU CB C -4.521 -0.158 -1.317 1.00 . A A . 8 LEU CB 1 1
6 1154 1 1 9 LEU CD1 C -6.672 1.177 -0.961 1.00 . A A . 8 LEU CD1 1 1
6 1155 1 1 9 LEU CD2 C -5.365 1.433 -3.071 1.00 . A A . 8 LEU CD2 1 1
6 1156 1 1 9 LEU CG C -5.778 0.462 -1.977 1.00 . A A . 8 LEU CG 1 1
6 1157 1 1 9 LEU H H -2.786 -1.121 0.269 1.00 . A A . 8 LEU H 1 1
6 1158 1 1 9 LEU HA H -5.562 -1.416 0.069 1.00 . A A . 8 LEU HA 1 1
6 1159 1 1 9 LEU HB2 H -4.133 0.560 -0.610 1.00 . A A . 8 LEU HB2 1 1
6 1160 1 1 9 LEU HB3 H -3.781 -0.302 -2.090 1.00 . A A . 8 LEU HB3 1 1
6 1161 1 1 9 LEU HD11 H -7.506 0.540 -0.704 1.00 . A A . 8 LEU HD11 1 1
6 1162 1 1 9 LEU HD12 H -7.041 2.096 -1.392 1.00 . A A . 8 LEU HD12 1 1
6 1163 1 1 9 LEU HD13 H -6.101 1.400 -0.072 1.00 . A A . 8 LEU HD13 1 1
6 1164 1 1 9 LEU HD21 H -6.248 1.837 -3.544 1.00 . A A . 8 LEU HD21 1 1
6 1165 1 1 9 LEU HD22 H -4.767 0.916 -3.806 1.00 . A A . 8 LEU HD22 1 1
6 1166 1 1 9 LEU HD23 H -4.789 2.237 -2.638 1.00 . A A . 8 LEU HD23 1 1
6 1167 1 1 9 LEU HG H -6.360 -0.325 -2.434 1.00 . A A . 8 LEU HG 1 1
6 1168 1 1 9 LEU N N -3.530 -1.761 0.303 1.00 . A A . 8 LEU N 1 1
6 1169 1 1 9 LEU O O -6.185 -2.905 -1.843 1.00 . A A . 8 LEU O 1 1
6 1170 1 1 10 GLN C C -4.262 -5.730 -2.661 1.00 . A A . 9 GLN C 1 1
6 1171 1 1 10 GLN CA C -4.017 -4.322 -3.222 1.00 . A A . 9 GLN CA 1 1
6 1172 1 1 10 GLN CB C -2.787 -4.343 -4.141 1.00 . A A . 9 GLN CB 1 1
6 1173 1 1 10 GLN CD C -1.613 -3.321 -6.142 1.00 . A A . 9 GLN CD 1 1
6 1174 1 1 10 GLN CG C -2.792 -3.238 -5.188 1.00 . A A . 9 GLN CG 1 1
6 1175 1 1 10 GLN H H -3.006 -2.937 -1.937 1.00 . A A . 9 GLN H 1 1
6 1176 1 1 10 GLN HA H -4.873 -4.066 -3.830 1.00 . A A . 9 GLN HA 1 1
6 1177 1 1 10 GLN HB2 H -1.895 -4.235 -3.541 1.00 . A A . 9 GLN HB2 1 1
6 1178 1 1 10 GLN HB3 H -2.752 -5.293 -4.653 1.00 . A A . 9 GLN HB3 1 1
6 1179 1 1 10 GLN HE21 H -2.843 -3.359 -7.709 1.00 . A A . 9 GLN HE21 1 1
6 1180 1 1 10 GLN HE22 H -1.156 -3.426 -8.080 1.00 . A A . 9 GLN HE22 1 1
6 1181 1 1 10 GLN HG2 H -3.703 -3.315 -5.764 1.00 . A A . 9 GLN HG2 1 1
6 1182 1 1 10 GLN HG3 H -2.766 -2.284 -4.686 1.00 . A A . 9 GLN HG3 1 1
6 1183 1 1 10 GLN N N -3.902 -3.249 -2.186 1.00 . A A . 9 GLN N 1 1
6 1184 1 1 10 GLN NE2 N -1.900 -3.375 -7.441 1.00 . A A . 9 GLN NE2 1 1
6 1185 1 1 10 GLN O O -4.996 -6.505 -3.311 1.00 . A A . 9 GLN O 1 1
6 1186 1 1 10 GLN OE1 O -0.458 -3.327 -5.718 1.00 . A A . 9 GLN OE1 1 1
6 1187 1 1 11 ASP C C -5.158 -7.615 -0.271 1.00 . A A . 10 ASP C 1 1
6 1188 1 1 11 ASP CA C -3.740 -7.377 -0.808 1.00 . A A . 10 ASP CA 1 1
6 1189 1 1 11 ASP CB C -2.690 -7.521 0.313 1.00 . A A . 10 ASP CB 1 1
6 1190 1 1 11 ASP CG C -2.663 -8.912 0.929 1.00 . A A . 10 ASP CG 1 1
6 1191 1 1 11 ASP H H -3.064 -5.370 -1.054 1.00 . A A . 10 ASP H 1 1
6 1192 1 1 11 ASP HA H -3.542 -8.127 -1.562 1.00 . A A . 10 ASP HA 1 1
6 1193 1 1 11 ASP HB2 H -1.710 -7.321 -0.094 1.00 . A A . 10 ASP HB2 1 1
6 1194 1 1 11 ASP HB3 H -2.900 -6.806 1.093 1.00 . A A . 10 ASP HB3 1 1
6 1195 1 1 11 ASP N N -3.628 -6.050 -1.473 1.00 . A A . 10 ASP N 1 1
6 1196 1 1 11 ASP O O -5.590 -8.781 -0.199 1.00 . A A . 10 ASP O 1 1
6 1197 1 1 11 ASP OD1 O -3.700 -9.336 1.481 1.00 . A A . 10 ASP OD1 1 1
6 1198 1 1 11 ASP OD2 O -1.609 -9.574 0.854 1.00 . A A . 10 ASP OD2 1 1
6 1199 1 1 12 SER C C -8.228 -6.564 -0.578 1.00 . A A . 11 SER C 1 1
6 1200 1 1 12 SER CA C -7.236 -6.487 0.615 1.00 . A A . 11 SER CA 1 1
6 1201 1 1 12 SER CB C -7.417 -5.231 1.498 1.00 . A A . 11 SER CB 1 1
6 1202 1 1 12 SER H H -5.422 -5.617 -0.022 1.00 . A A . 11 SER H 1 1
6 1203 1 1 12 SER HA H -7.352 -7.377 1.226 1.00 . A A . 11 SER HA 1 1
6 1204 1 1 12 SER HB2 H -7.518 -4.360 0.873 1.00 . A A . 11 SER HB2 1 1
6 1205 1 1 12 SER HB3 H -8.295 -5.337 2.118 1.00 . A A . 11 SER HB3 1 1
6 1206 1 1 12 SER HG H -6.587 -4.689 3.186 1.00 . A A . 11 SER HG 1 1
6 1207 1 1 12 SER N N -5.860 -6.485 0.088 1.00 . A A . 11 SER N 1 1
6 1208 1 1 12 SER O O -7.826 -6.963 -1.670 1.00 . A A . 11 SER O 1 1
6 1209 1 1 12 SER OG O -6.298 -5.056 2.348 1.00 . A A . 11 SER OG 1 1
6 1210 1 1 13 NH2 HN1 H -9.800 -5.957 0.498 1.00 . A A . 12 NH2 HN1 1 1
6 1211 1 1 13 NH2 HN2 H -10.120 -6.305 -1.164 1.00 . A A . 12 NH2 HN2 1 1
6 1212 1 1 13 NH2 N N -9.514 -6.242 -0.390 1.00 . A A . 12 NH2 N 1 1
7 1213 1 1 1 ACE C C 5.108 5.400 3.456 1.00 . A A . 0 ACE C 1 1
7 1214 1 1 1 ACE CH3 C 6.339 5.275 4.330 1.00 . A A . 0 ACE CH3 1 1
7 1215 1 1 1 ACE H1 H 6.284 4.360 4.900 1.00 . A A . 0 ACE H1 1 1
7 1216 1 1 1 ACE H2 H 6.388 6.117 5.004 1.00 . A A . 0 ACE H2 1 1
7 1217 1 1 1 ACE H3 H 7.222 5.259 3.708 1.00 . A A . 0 ACE H3 1 1
7 1218 1 1 1 ACE O O 4.030 4.909 3.845 1.00 . A A . 0 ACE O 1 1
7 1219 1 1 2 HIS C C 3.913 5.071 0.443 1.00 . A A . 1 HIS C 1 1
7 1220 1 1 2 HIS CA C 4.226 6.321 1.277 1.00 . A A . 1 HIS CA 1 1
7 1221 1 1 2 HIS CB C 4.594 7.497 0.359 1.00 . A A . 1 HIS CB 1 1
7 1222 1 1 2 HIS CD2 C 5.318 9.907 1.032 1.00 . A A . 1 HIS CD2 1 1
7 1223 1 1 2 HIS CE1 C 3.574 10.424 2.259 1.00 . A A . 1 HIS CE1 1 1
7 1224 1 1 2 HIS CG C 4.487 8.833 1.033 1.00 . A A . 1 HIS CG 1 1
7 1225 1 1 2 HIS H H 6.188 6.426 2.079 1.00 . A A . 1 HIS H 1 1
7 1226 1 1 2 HIS HA H 3.339 6.591 1.829 1.00 . A A . 1 HIS HA 1 1
7 1227 1 1 2 HIS HB2 H 5.612 7.380 0.021 1.00 . A A . 1 HIS HB2 1 1
7 1228 1 1 2 HIS HB3 H 3.934 7.500 -0.496 1.00 . A A . 1 HIS HB3 1 1
7 1229 1 1 2 HIS HD1 H 2.628 8.628 2.004 1.00 . A A . 1 HIS HD1 1 1
7 1230 1 1 2 HIS HD2 H 6.261 9.992 0.509 1.00 . A A . 1 HIS HD2 1 1
7 1231 1 1 2 HIS HE1 H 2.889 10.965 2.894 1.00 . A A . 1 HIS HE1 1 1
7 1232 1 1 2 HIS HE2 H 5.071 11.785 1.940 1.00 . A A . 1 HIS HE2 1 1
7 1233 1 1 2 HIS N N 5.293 6.078 2.270 1.00 . A A . 1 HIS N 1 1
7 1234 1 1 2 HIS ND1 N 3.405 9.193 1.810 1.00 . A A . 1 HIS ND1 1 1
7 1235 1 1 2 HIS NE2 N 4.726 10.878 1.802 1.00 . A A . 1 HIS NE2 1 1
7 1236 1 1 2 HIS O O 2.762 4.913 -0.003 1.00 . A A . 1 HIS O 1 1
7 1237 1 1 3 LYS C C 4.042 1.853 0.164 1.00 . A A . 2 LYS C 1 1
7 1238 1 1 3 LYS CA C 4.869 2.939 -0.547 1.00 . A A . 2 LYS CA 1 1
7 1239 1 1 3 LYS CB C 6.263 2.382 -0.899 1.00 . A A . 2 LYS CB 1 1
7 1240 1 1 3 LYS CD C 8.426 2.634 -2.169 1.00 . A A . 2 LYS CD 1 1
7 1241 1 1 3 LYS CE C 9.236 3.481 -3.147 1.00 . A A . 2 LYS CE 1 1
7 1242 1 1 3 LYS CG C 7.060 3.246 -1.873 1.00 . A A . 2 LYS CG 1 1
7 1243 1 1 3 LYS H H 5.832 4.430 0.637 1.00 . A A . 2 LYS H 1 1
7 1244 1 1 3 LYS HA H 4.364 3.187 -1.469 1.00 . A A . 2 LYS HA 1 1
7 1245 1 1 3 LYS HB2 H 6.840 2.273 0.005 1.00 . A A . 2 LYS HB2 1 1
7 1246 1 1 3 LYS HB3 H 6.137 1.408 -1.346 1.00 . A A . 2 LYS HB3 1 1
7 1247 1 1 3 LYS HD2 H 8.977 2.550 -1.245 1.00 . A A . 2 LYS HD2 1 1
7 1248 1 1 3 LYS HD3 H 8.283 1.651 -2.593 1.00 . A A . 2 LYS HD3 1 1
7 1249 1 1 3 LYS HE2 H 9.382 4.464 -2.723 1.00 . A A . 2 LYS HE2 1 1
7 1250 1 1 3 LYS HE3 H 10.199 3.011 -3.295 1.00 . A A . 2 LYS HE3 1 1
7 1251 1 1 3 LYS HG2 H 6.508 3.331 -2.798 1.00 . A A . 2 LYS HG2 1 1
7 1252 1 1 3 LYS HG3 H 7.203 4.226 -1.447 1.00 . A A . 2 LYS HG3 1 1
7 1253 1 1 3 LYS HZ1 H 7.605 4.012 -4.342 1.00 . A A . 2 LYS HZ1 1 1
7 1254 1 1 3 LYS HZ2 H 8.484 2.692 -4.931 1.00 . A A . 2 LYS HZ2 1 1
7 1255 1 1 3 LYS HZ3 H 9.106 4.258 -5.084 1.00 . A A . 2 LYS HZ3 1 1
7 1256 1 1 3 LYS N N 4.968 4.199 0.241 1.00 . A A . 2 LYS N 1 1
7 1257 1 1 3 LYS NZ N 8.561 3.620 -4.469 1.00 . A A . 2 LYS NZ 1 1
7 1258 1 1 3 LYS O O 3.251 1.141 -0.489 1.00 . A A . 2 LYS O 1 1
7 1259 1 1 4 . C C 1.991 0.662 2.068 1.00 . A A . 3 MK8 C 1 1
7 1260 1 1 4 . CA C 3.554 0.676 2.400 1.00 . A A . 3 MK8 CA 1 1
7 1261 1 1 4 . CB C 3.806 1.063 3.925 1.00 . A A . 3 MK8 CB 1 1
7 1262 1 1 4 . CB1 C 4.278 -0.683 2.115 1.00 . A A . 3 MK8 CB1 1 1
7 1263 1 1 4 . CD C 1.591 0.656 5.229 1.00 . A A . 3 MK8 CD 1 1
7 1264 1 1 4 . CE C 0.741 -0.043 6.330 1.00 . A A . 3 MK8 CE 1 1
7 1265 1 1 4 . CG C 3.064 0.274 5.068 1.00 . A A . 3 MK8 CG 1 1
7 1266 1 1 4 . HB H 3.547 2.108 4.037 1.00 . A A . 3 MK8 HB 1 1
7 1267 1 1 4 . HB1 H 5.025 -0.540 1.348 1.00 . A A . 3 MK8 HB1 1 1
7 1268 1 1 4 . HB1A H 3.556 -1.413 1.782 1.00 . A A . 3 MK8 HB1A 1 1
7 1269 1 1 4 . HB1B H 4.753 -1.034 3.020 1.00 . A A . 3 MK8 HB1B 1 1
7 1270 1 1 4 . HBA H 4.861 0.966 4.115 1.00 . A A . 3 MK8 HBA 1 1
7 1271 1 1 4 . HD H 1.114 0.458 4.278 1.00 . A A . 3 MK8 HD 1 1
7 1272 1 1 4 . HDA H 1.542 1.717 5.404 1.00 . A A . 3 MK8 HDA 1 1
7 1273 1 1 4 . HE H 0.895 0.296 7.344 1.00 . A A . 3 MK8 HE 1 1
7 1274 1 1 4 . HG H 3.577 0.464 5.999 1.00 . A A . 3 MK8 HG 1 1
7 1275 1 1 4 . HGA H 3.117 -0.780 4.847 1.00 . A A . 3 MK8 HGA 1 1
7 1276 1 1 4 . HN H 4.894 2.292 1.970 1.00 . A A . 3 MK8 HN 1 1
7 1277 1 1 4 . N N 4.244 1.704 1.536 1.00 . A A . 3 MK8 N 1 1
7 1278 1 1 4 . O O 1.421 -0.331 1.563 1.00 . A A . 3 MK8 O 1 1
7 1279 1 1 5 LEU C C -0.673 1.656 0.910 1.00 . A A . 4 LEU C 1 1
7 1280 1 1 5 LEU CA C -0.145 2.041 2.299 1.00 . A A . 4 LEU CA 1 1
7 1281 1 1 5 LEU CB C -0.505 3.503 2.663 1.00 . A A . 4 LEU CB 1 1
7 1282 1 1 5 LEU CD1 C -2.561 3.380 4.187 1.00 . A A . 4 LEU CD1 1 1
7 1283 1 1 5 LEU CD2 C -2.214 5.343 2.670 1.00 . A A . 4 LEU CD2 1 1
7 1284 1 1 5 LEU CG C -2.009 3.847 2.834 1.00 . A A . 4 LEU CG 1 1
7 1285 1 1 5 LEU H H 1.838 2.531 2.870 1.00 . A A . 4 LEU H 1 1
7 1286 1 1 5 LEU HA H -0.622 1.393 3.019 1.00 . A A . 4 LEU HA 1 1
7 1287 1 1 5 LEU HB2 H -0.012 3.737 3.595 1.00 . A A . 4 LEU HB2 1 1
7 1288 1 1 5 LEU HB3 H -0.101 4.146 1.896 1.00 . A A . 4 LEU HB3 1 1
7 1289 1 1 5 LEU HD11 H -3.628 3.547 4.217 1.00 . A A . 4 LEU HD11 1 1
7 1290 1 1 5 LEU HD12 H -2.086 3.934 4.981 1.00 . A A . 4 LEU HD12 1 1
7 1291 1 1 5 LEU HD13 H -2.359 2.325 4.313 1.00 . A A . 4 LEU HD13 1 1
7 1292 1 1 5 LEU HD21 H -2.431 5.565 1.635 1.00 . A A . 4 LEU HD21 1 1
7 1293 1 1 5 LEU HD22 H -1.316 5.863 2.969 1.00 . A A . 4 LEU HD22 1 1
7 1294 1 1 5 LEU HD23 H -3.039 5.663 3.288 1.00 . A A . 4 LEU HD23 1 1
7 1295 1 1 5 LEU HG H -2.573 3.350 2.058 1.00 . A A . 4 LEU HG 1 1
7 1296 1 1 5 LEU N N 1.315 1.822 2.442 1.00 . A A . 4 LEU N 1 1
7 1297 1 1 5 LEU O O -1.869 1.308 0.804 1.00 . A A . 4 LEU O 1 1
7 1298 1 1 6 HIS C C -0.333 -0.147 -1.633 1.00 . A A . 5 HIS C 1 1
7 1299 1 1 6 HIS CA C -0.093 1.365 -1.530 1.00 . A A . 5 HIS CA 1 1
7 1300 1 1 6 HIS CB C 1.024 1.851 -2.479 1.00 . A A . 5 HIS CB 1 1
7 1301 1 1 6 HIS CD2 C 0.547 2.878 -4.826 1.00 . A A . 5 HIS CD2 1 1
7 1302 1 1 6 HIS CE1 C 0.090 1.023 -5.901 1.00 . A A . 5 HIS CE1 1 1
7 1303 1 1 6 HIS CG C 0.656 1.855 -3.939 1.00 . A A . 5 HIS CG 1 1
7 1304 1 1 6 HIS H H 1.154 1.992 0.071 1.00 . A A . 5 HIS H 1 1
7 1305 1 1 6 HIS HA H -1.015 1.870 -1.780 1.00 . A A . 5 HIS HA 1 1
7 1306 1 1 6 HIS HB2 H 1.292 2.864 -2.211 1.00 . A A . 5 HIS HB2 1 1
7 1307 1 1 6 HIS HB3 H 1.888 1.218 -2.356 1.00 . A A . 5 HIS HB3 1 1
7 1308 1 1 6 HIS HD1 H 0.350 -0.202 -4.281 1.00 . A A . 5 HIS HD1 1 1
7 1309 1 1 6 HIS HD2 H 0.707 3.929 -4.622 1.00 . A A . 5 HIS HD2 1 1
7 1310 1 1 6 HIS HE1 H -0.167 0.328 -6.686 1.00 . A A . 5 HIS HE1 1 1
7 1311 1 1 6 HIS HE2 H 0.046 2.829 -6.865 1.00 . A A . 5 HIS HE2 1 1
7 1312 1 1 6 HIS N N 0.237 1.714 -0.131 1.00 . A A . 5 HIS N 1 1
7 1313 1 1 6 HIS ND1 N 0.361 0.708 -4.645 1.00 . A A . 5 HIS ND1 1 1
7 1314 1 1 6 HIS NE2 N 0.195 2.331 -6.034 1.00 . A A . 5 HIS NE2 1 1
7 1315 1 1 6 HIS O O -1.340 -0.567 -2.232 1.00 . A A . 5 HIS O 1 1
7 1316 1 1 7 GLN C C -0.692 -2.930 -0.225 1.00 . A A . 6 GLN C 1 1
7 1317 1 1 7 GLN CA C 0.551 -2.427 -0.968 1.00 . A A . 6 GLN CA 1 1
7 1318 1 1 7 GLN CB C 1.795 -3.017 -0.277 1.00 . A A . 6 GLN CB 1 1
7 1319 1 1 7 GLN CD C 4.145 -3.919 -0.471 1.00 . A A . 6 GLN CD 1 1
7 1320 1 1 7 GLN CG C 3.006 -3.208 -1.179 1.00 . A A . 6 GLN CG 1 1
7 1321 1 1 7 GLN H H 1.358 -0.489 -0.561 1.00 . A A . 6 GLN H 1 1
7 1322 1 1 7 GLN HA H 0.510 -2.785 -1.985 1.00 . A A . 6 GLN HA 1 1
7 1323 1 1 7 GLN HB2 H 2.084 -2.368 0.534 1.00 . A A . 6 GLN HB2 1 1
7 1324 1 1 7 GLN HB3 H 1.530 -3.979 0.135 1.00 . A A . 6 GLN HB3 1 1
7 1325 1 1 7 GLN HE21 H 4.051 -5.430 -1.761 1.00 . A A . 6 GLN HE21 1 1
7 1326 1 1 7 GLN HE22 H 5.257 -5.564 -0.533 1.00 . A A . 6 GLN HE22 1 1
7 1327 1 1 7 GLN HG2 H 2.713 -3.792 -2.034 1.00 . A A . 6 GLN HG2 1 1
7 1328 1 1 7 GLN HG3 H 3.362 -2.247 -1.507 1.00 . A A . 6 GLN HG3 1 1
7 1329 1 1 7 GLN N N 0.609 -0.941 -1.009 1.00 . A A . 6 GLN N 1 1
7 1330 1 1 7 GLN NE2 N 4.521 -5.090 -0.972 1.00 . A A . 6 GLN NE2 1 1
7 1331 1 1 7 GLN O O -1.323 -3.905 -0.657 1.00 . A A . 6 GLN O 1 1
7 1332 1 1 7 GLN OE1 O 4.679 -3.420 0.519 1.00 . A A . 6 GLN OE1 1 1
7 1333 1 1 8 . C C -3.485 -2.520 0.962 1.00 . A A . 7 MK8 C 1 1
7 1334 1 1 8 . CA C -2.175 -2.562 1.827 1.00 . A A . 7 MK8 CA 1 1
7 1335 1 1 8 . CB C -2.333 -1.446 2.917 1.00 . A A . 7 MK8 CB 1 1
7 1336 1 1 8 . CB1 C -1.948 -3.939 2.540 1.00 . A A . 7 MK8 CB1 1 1
7 1337 1 1 8 . CD C -0.651 -1.757 4.829 1.00 . A A . 7 MK8 CD 1 1
7 1338 1 1 8 . CE C -0.200 -1.052 6.159 1.00 . A A . 7 MK8 CE 1 1
7 1339 1 1 8 . CG C -1.056 -0.910 3.623 1.00 . A A . 7 MK8 CG 1 1
7 1340 1 1 8 . HB H -2.999 -1.823 3.680 1.00 . A A . 7 MK8 HB 1 1
7 1341 1 1 8 . HB1 H -2.082 -4.740 1.827 1.00 . A A . 7 MK8 HB1 1 1
7 1342 1 1 8 . HB1A H -2.664 -4.049 3.342 1.00 . A A . 7 MK8 HB1A 1 1
7 1343 1 1 8 . HB1B H -0.948 -3.974 2.943 1.00 . A A . 7 MK8 HB1B 1 1
7 1344 1 1 8 . HBA H -2.807 -0.599 2.451 1.00 . A A . 7 MK8 HBA 1 1
7 1345 1 1 8 . HD H 0.156 -2.406 4.510 1.00 . A A . 7 MK8 HD 1 1
7 1346 1 1 8 . HDA H -1.492 -2.375 5.079 1.00 . A A . 7 MK8 HDA 1 1
7 1347 1 1 8 . HE H -0.681 -1.399 7.060 1.00 . A A . 7 MK8 HE 1 1
7 1348 1 1 8 . HG H -1.234 0.105 3.948 1.00 . A A . 7 MK8 HG 1 1
7 1349 1 1 8 . HGA H -0.249 -0.918 2.918 1.00 . A A . 7 MK8 HGA 1 1
7 1350 1 1 8 . HN H -0.465 -1.495 1.170 1.00 . A A . 7 MK8 HN 1 1
7 1351 1 1 8 . N N -1.021 -2.242 0.926 1.00 . A A . 7 MK8 N 1 1
7 1352 1 1 8 . O O -4.460 -3.287 1.183 1.00 . A A . 7 MK8 O 1 1
7 1353 1 1 9 LEU C C -4.901 -2.469 -1.862 1.00 . A A . 8 LEU C 1 1
7 1354 1 1 9 LEU CA C -4.611 -1.272 -0.939 1.00 . A A . 8 LEU CA 1 1
7 1355 1 1 9 LEU CB C -4.340 0.008 -1.768 1.00 . A A . 8 LEU CB 1 1
7 1356 1 1 9 LEU CD1 C -6.489 1.396 -1.687 1.00 . A A . 8 LEU CD1 1 1
7 1357 1 1 9 LEU CD2 C -5.025 1.452 -3.718 1.00 . A A . 8 LEU CD2 1 1
7 1358 1 1 9 LEU CG C -5.534 0.591 -2.573 1.00 . A A . 8 LEU CG 1 1
7 1359 1 1 9 LEU H H -2.681 -0.968 -0.085 1.00 . A A . 8 LEU H 1 1
7 1360 1 1 9 LEU HA H -5.484 -1.099 -0.327 1.00 . A A . 8 LEU HA 1 1
7 1361 1 1 9 LEU HB2 H -3.991 0.775 -1.091 1.00 . A A . 8 LEU HB2 1 1
7 1362 1 1 9 LEU HB3 H -3.545 -0.211 -2.465 1.00 . A A . 8 LEU HB3 1 1
7 1363 1 1 9 LEU HD11 H -7.252 1.853 -2.301 1.00 . A A . 8 LEU HD11 1 1
7 1364 1 1 9 LEU HD12 H -5.938 2.164 -1.167 1.00 . A A . 8 LEU HD12 1 1
7 1365 1 1 9 LEU HD13 H -6.954 0.736 -0.969 1.00 . A A . 8 LEU HD13 1 1
7 1366 1 1 9 LEU HD21 H -5.083 2.493 -3.438 1.00 . A A . 8 LEU HD21 1 1
7 1367 1 1 9 LEU HD22 H -5.633 1.280 -4.594 1.00 . A A . 8 LEU HD22 1 1
7 1368 1 1 9 LEU HD23 H -4.000 1.192 -3.934 1.00 . A A . 8 LEU HD23 1 1
7 1369 1 1 9 LEU HG H -6.097 -0.226 -3.000 1.00 . A A . 8 LEU HG 1 1
7 1370 1 1 9 LEU N N -3.479 -1.540 -0.015 1.00 . A A . 8 LEU N 1 1
7 1371 1 1 9 LEU O O -6.073 -2.681 -2.227 1.00 . A A . 8 LEU O 1 1
7 1372 1 1 10 GLN C C -4.279 -5.700 -2.527 1.00 . A A . 9 GLN C 1 1
7 1373 1 1 10 GLN CA C -3.867 -4.369 -3.181 1.00 . A A . 9 GLN CA 1 1
7 1374 1 1 10 GLN CB C -2.530 -4.553 -3.918 1.00 . A A . 9 GLN CB 1 1
7 1375 1 1 10 GLN CD C -3.186 -3.702 -6.241 1.00 . A A . 9 GLN CD 1 1
7 1376 1 1 10 GLN CG C -2.274 -3.531 -5.029 1.00 . A A . 9 GLN CG 1 1
7 1377 1 1 10 GLN H H -2.921 -2.923 -1.929 1.00 . A A . 9 GLN H 1 1
7 1378 1 1 10 GLN HA H -4.612 -4.124 -3.924 1.00 . A A . 9 GLN HA 1 1
7 1379 1 1 10 GLN HB2 H -1.725 -4.476 -3.204 1.00 . A A . 9 GLN HB2 1 1
7 1380 1 1 10 GLN HB3 H -2.512 -5.539 -4.357 1.00 . A A . 9 GLN HB3 1 1
7 1381 1 1 10 GLN HE21 H -1.612 -3.866 -7.450 1.00 . A A . 9 GLN HE21 1 1
7 1382 1 1 10 GLN HE22 H -3.159 -3.972 -8.215 1.00 . A A . 9 GLN HE22 1 1
7 1383 1 1 10 GLN HG2 H -2.424 -2.542 -4.627 1.00 . A A . 9 GLN HG2 1 1
7 1384 1 1 10 GLN HG3 H -1.249 -3.632 -5.355 1.00 . A A . 9 GLN HG3 1 1
7 1385 1 1 10 GLN N N -3.801 -3.207 -2.254 1.00 . A A . 9 GLN N 1 1
7 1386 1 1 10 GLN NE2 N -2.592 -3.864 -7.421 1.00 . A A . 9 GLN NE2 1 1
7 1387 1 1 10 GLN O O -5.227 -6.337 -3.031 1.00 . A A . 9 GLN O 1 1
7 1388 1 1 10 GLN OE1 O -4.410 -3.681 -6.115 1.00 . A A . 9 GLN OE1 1 1
7 1389 1 1 11 ASP C C -5.072 -7.532 0.023 1.00 . A A . 10 ASP C 1 1
7 1390 1 1 11 ASP CA C -3.731 -7.440 -0.758 1.00 . A A . 10 ASP CA 1 1
7 1391 1 1 11 ASP CB C -2.531 -7.767 0.167 1.00 . A A . 10 ASP CB 1 1
7 1392 1 1 11 ASP CG C -2.575 -9.193 0.683 1.00 . A A . 10 ASP CG 1 1
7 1393 1 1 11 ASP H H -2.752 -5.583 -1.171 1.00 . A A . 10 ASP H 1 1
7 1394 1 1 11 ASP HA H -3.755 -8.196 -1.531 1.00 . A A . 10 ASP HA 1 1
7 1395 1 1 11 ASP HB2 H -1.612 -7.643 -0.385 1.00 . A A . 10 ASP HB2 1 1
7 1396 1 1 11 ASP HB3 H -2.522 -7.099 1.018 1.00 . A A . 10 ASP HB3 1 1
7 1397 1 1 11 ASP N N -3.514 -6.137 -1.453 1.00 . A A . 10 ASP N 1 1
7 1398 1 1 11 ASP O O -5.341 -8.608 0.599 1.00 . A A . 10 ASP O 1 1
7 1399 1 1 11 ASP OD1 O -2.539 -10.123 -0.150 1.00 . A A . 10 ASP OD1 1 1
7 1400 1 1 11 ASP OD2 O -2.646 -9.380 1.914 1.00 . A A . 10 ASP OD2 1 1
7 1401 1 1 12 SER C C -8.378 -7.012 -0.125 1.00 . A A . 11 SER C 1 1
7 1402 1 1 12 SER CA C -7.237 -6.374 0.726 1.00 . A A . 11 SER CA 1 1
7 1403 1 1 12 SER CB C -7.560 -4.946 1.219 1.00 . A A . 11 SER CB 1 1
7 1404 1 1 12 SER H H -5.626 -5.613 -0.466 1.00 . A A . 11 SER H 1 1
7 1405 1 1 12 SER HA H -7.126 -7.002 1.602 1.00 . A A . 11 SER HA 1 1
7 1406 1 1 12 SER HB2 H -7.652 -4.281 0.377 1.00 . A A . 11 SER HB2 1 1
7 1407 1 1 12 SER HB3 H -8.488 -4.960 1.771 1.00 . A A . 11 SER HB3 1 1
7 1408 1 1 12 SER HG H -6.330 -5.134 2.729 1.00 . A A . 11 SER HG 1 1
7 1409 1 1 12 SER N N -5.913 -6.413 0.023 1.00 . A A . 11 SER N 1 1
7 1410 1 1 12 SER O O -8.690 -8.182 0.092 1.00 . A A . 11 SER O 1 1
7 1411 1 1 12 SER OG O -6.543 -4.467 2.074 1.00 . A A . 11 SER OG 1 1
7 1412 1 1 13 NH2 HN1 H -8.899 -5.304 -1.071 1.00 . A A . 12 NH2 HN1 1 1
7 1413 1 1 13 NH2 HN2 H -9.801 -6.704 -1.511 1.00 . A A . 12 NH2 HN2 1 1
7 1414 1 1 13 NH2 N N -9.097 -6.258 -0.990 1.00 . A A . 12 NH2 N 1 1
8 1415 1 1 1 ACE C C 5.216 5.532 3.420 1.00 . A A . 0 ACE C 1 1
8 1416 1 1 1 ACE CH3 C 6.518 5.428 4.188 1.00 . A A . 0 ACE CH3 1 1
8 1417 1 1 1 ACE H1 H 6.314 5.456 5.248 1.00 . A A . 0 ACE H1 1 1
8 1418 1 1 1 ACE H2 H 7.160 6.256 3.923 1.00 . A A . 0 ACE H2 1 1
8 1419 1 1 1 ACE H3 H 7.009 4.498 3.940 1.00 . A A . 0 ACE H3 1 1
8 1420 1 1 1 ACE O O 4.193 4.986 3.876 1.00 . A A . 0 ACE O 1 1
8 1421 1 1 2 HIS C C 3.804 5.235 0.518 1.00 . A A . 1 HIS C 1 1
8 1422 1 1 2 HIS CA C 4.123 6.490 1.353 1.00 . A A . 1 HIS CA 1 1
8 1423 1 1 2 HIS CB C 4.408 7.698 0.438 1.00 . A A . 1 HIS CB 1 1
8 1424 1 1 2 HIS CD2 C 2.699 9.577 -0.130 1.00 . A A . 1 HIS CD2 1 1
8 1425 1 1 2 HIS CE1 C 1.319 8.394 -1.355 1.00 . A A . 1 HIS CE1 1 1
8 1426 1 1 2 HIS CG C 3.180 8.309 -0.177 1.00 . A A . 1 HIS CG 1 1
8 1427 1 1 2 HIS H H 6.140 6.652 1.998 1.00 . A A . 1 HIS H 1 1
8 1428 1 1 2 HIS HA H 3.269 6.720 1.974 1.00 . A A . 1 HIS HA 1 1
8 1429 1 1 2 HIS HB2 H 4.903 8.465 1.014 1.00 . A A . 1 HIS HB2 1 1
8 1430 1 1 2 HIS HB3 H 5.059 7.389 -0.366 1.00 . A A . 1 HIS HB3 1 1
8 1431 1 1 2 HIS HD1 H 2.363 6.643 -1.174 1.00 . A A . 1 HIS HD1 1 1
8 1432 1 1 2 HIS HD2 H 3.145 10.415 0.389 1.00 . A A . 1 HIS HD2 1 1
8 1433 1 1 2 HIS HE1 H 0.482 8.108 -1.974 1.00 . A A . 1 HIS HE1 1 1
8 1434 1 1 2 HIS HE2 H 1.039 10.406 -1.109 1.00 . A A . 1 HIS HE2 1 1
8 1435 1 1 2 HIS N N 5.277 6.256 2.247 1.00 . A A . 1 HIS N 1 1
8 1436 1 1 2 HIS ND1 N 2.291 7.594 -0.952 1.00 . A A . 1 HIS ND1 1 1
8 1437 1 1 2 HIS NE2 N 1.543 9.600 -0.870 1.00 . A A . 1 HIS NE2 1 1
8 1438 1 1 2 HIS O O 2.645 5.065 0.098 1.00 . A A . 1 HIS O 1 1
8 1439 1 1 3 LYS C C 3.972 2.000 0.195 1.00 . A A . 2 LYS C 1 1
8 1440 1 1 3 LYS CA C 4.763 3.120 -0.512 1.00 . A A . 2 LYS CA 1 1
8 1441 1 1 3 LYS CB C 6.155 2.588 -0.912 1.00 . A A . 2 LYS CB 1 1
8 1442 1 1 3 LYS CD C 8.152 2.720 -2.452 1.00 . A A . 2 LYS CD 1 1
8 1443 1 1 3 LYS CE C 8.904 3.539 -3.502 1.00 . A A . 2 LYS CE 1 1
8 1444 1 1 3 LYS CG C 6.871 3.409 -1.986 1.00 . A A . 2 LYS CG 1 1
8 1445 1 1 3 LYS H H 5.736 4.615 0.658 1.00 . A A . 2 LYS H 1 1
8 1446 1 1 3 LYS HA H 4.232 3.371 -1.416 1.00 . A A . 2 LYS HA 1 1
8 1447 1 1 3 LYS HB2 H 6.784 2.561 -0.038 1.00 . A A . 2 LYS HB2 1 1
8 1448 1 1 3 LYS HB3 H 6.041 1.581 -1.284 1.00 . A A . 2 LYS HB3 1 1
8 1449 1 1 3 LYS HD2 H 8.798 2.575 -1.600 1.00 . A A . 2 LYS HD2 1 1
8 1450 1 1 3 LYS HD3 H 7.896 1.759 -2.876 1.00 . A A . 2 LYS HD3 1 1
8 1451 1 1 3 LYS HE2 H 9.188 4.487 -3.069 1.00 . A A . 2 LYS HE2 1 1
8 1452 1 1 3 LYS HE3 H 9.796 2.998 -3.787 1.00 . A A . 2 LYS HE3 1 1
8 1453 1 1 3 LYS HG2 H 6.213 3.530 -2.834 1.00 . A A . 2 LYS HG2 1 1
8 1454 1 1 3 LYS HG3 H 7.126 4.377 -1.586 1.00 . A A . 2 LYS HG3 1 1
8 1455 1 1 3 LYS HZ1 H 7.853 4.803 -4.794 1.00 . A A . 2 LYS HZ1 1 1
8 1456 1 1 3 LYS HZ2 H 7.199 3.248 -4.678 1.00 . A A . 2 LYS HZ2 1 1
8 1457 1 1 3 LYS HZ3 H 8.611 3.505 -5.573 1.00 . A A . 2 LYS HZ3 1 1
8 1458 1 1 3 LYS N N 4.864 4.376 0.283 1.00 . A A . 2 LYS N 1 1
8 1459 1 1 3 LYS NZ N 8.084 3.791 -4.722 1.00 . A A . 2 LYS NZ 1 1
8 1460 1 1 3 LYS O O 3.132 1.333 -0.441 1.00 . A A . 2 LYS O 1 1
8 1461 1 1 4 . C C 2.088 0.570 2.098 1.00 . A A . 3 MK8 C 1 1
8 1462 1 1 4 . CA C 3.649 0.650 2.371 1.00 . A A . 3 MK8 CA 1 1
8 1463 1 1 4 . CB C 3.881 0.977 3.911 1.00 . A A . 3 MK8 CB 1 1
8 1464 1 1 4 . CB1 C 4.445 -0.640 1.972 1.00 . A A . 3 MK8 CB1 1 1
8 1465 1 1 4 . CD C 1.808 0.029 5.226 1.00 . A A . 3 MK8 CD 1 1
8 1466 1 1 4 . CE C 1.205 -0.667 6.466 1.00 . A A . 3 MK8 CE 1 1
8 1467 1 1 4 . CG C 3.332 0.009 5.038 1.00 . A A . 3 MK8 CG 1 1
8 1468 1 1 4 . HB H 3.454 1.953 4.098 1.00 . A A . 3 MK8 HB 1 1
8 1469 1 1 4 . HB1 H 3.788 -1.497 2.024 1.00 . A A . 3 MK8 HB1 1 1
8 1470 1 1 4 . HB1A H 5.272 -0.780 2.652 1.00 . A A . 3 MK8 HB1A 1 1
8 1471 1 1 4 . HB1B H 4.821 -0.534 0.965 1.00 . A A . 3 MK8 HB1B 1 1
8 1472 1 1 4 . HBA H 4.944 1.055 4.067 1.00 . A A . 3 MK8 HBA 1 1
8 1473 1 1 4 . HD H 1.376 -0.440 4.350 1.00 . A A . 3 MK8 HD 1 1
8 1474 1 1 4 . HDA H 1.489 1.055 5.243 1.00 . A A . 3 MK8 HDA 1 1
8 1475 1 1 4 . HE H 1.820 -0.684 7.355 1.00 . A A . 3 MK8 HE 1 1
8 1476 1 1 4 . HG H 3.799 0.283 5.976 1.00 . A A . 3 MK8 HG 1 1
8 1477 1 1 4 . HGA H 3.623 -0.999 4.790 1.00 . A A . 3 MK8 HGA 1 1
8 1478 1 1 4 . HN H 4.975 2.286 1.953 1.00 . A A . 3 MK8 HN 1 1
8 1479 1 1 4 . N N 4.277 1.748 1.534 1.00 . A A . 3 MK8 N 1 1
8 1480 1 1 4 . O O 1.524 -0.507 1.779 1.00 . A A . 3 MK8 O 1 1
8 1481 1 1 5 LEU C C -0.568 1.451 0.797 1.00 . A A . 4 LEU C 1 1
8 1482 1 1 5 LEU CA C -0.069 1.922 2.161 1.00 . A A . 4 LEU CA 1 1
8 1483 1 1 5 LEU CB C -0.542 3.366 2.462 1.00 . A A . 4 LEU CB 1 1
8 1484 1 1 5 LEU CD1 C -2.469 3.129 4.149 1.00 . A A . 4 LEU CD1 1 1
8 1485 1 1 5 LEU CD2 C -2.487 4.979 2.460 1.00 . A A . 4 LEU CD2 1 1
8 1486 1 1 5 LEU CG C -2.065 3.543 2.725 1.00 . A A . 4 LEU CG 1 1
8 1487 1 1 5 LEU H H 1.925 2.553 2.585 1.00 . A A . 4 LEU H 1 1
8 1488 1 1 5 LEU HA H -0.508 1.273 2.898 1.00 . A A . 4 LEU HA 1 1
8 1489 1 1 5 LEU HB2 H -0.010 3.718 3.334 1.00 . A A . 4 LEU HB2 1 1
8 1490 1 1 5 LEU HB3 H -0.272 3.991 1.624 1.00 . A A . 4 LEU HB3 1 1
8 1491 1 1 5 LEU HD11 H -2.893 3.975 4.666 1.00 . A A . 4 LEU HD11 1 1
8 1492 1 1 5 LEU HD12 H -1.597 2.780 4.683 1.00 . A A . 4 LEU HD12 1 1
8 1493 1 1 5 LEU HD13 H -3.199 2.333 4.099 1.00 . A A . 4 LEU HD13 1 1
8 1494 1 1 5 LEU HD21 H -2.177 5.268 1.468 1.00 . A A . 4 LEU HD21 1 1
8 1495 1 1 5 LEU HD22 H -2.026 5.629 3.188 1.00 . A A . 4 LEU HD22 1 1
8 1496 1 1 5 LEU HD23 H -3.562 5.056 2.538 1.00 . A A . 4 LEU HD23 1 1
8 1497 1 1 5 LEU HG H -2.609 2.912 2.038 1.00 . A A . 4 LEU HG 1 1
8 1498 1 1 5 LEU N N 1.406 1.770 2.300 1.00 . A A . 4 LEU N 1 1
8 1499 1 1 5 LEU O O -1.653 0.840 0.735 1.00 . A A . 4 LEU O 1 1
8 1500 1 1 6 HIS C C -0.222 -0.189 -1.760 1.00 . A A . 5 HIS C 1 1
8 1501 1 1 6 HIS CA C -0.058 1.336 -1.679 1.00 . A A . 5 HIS CA 1 1
8 1502 1 1 6 HIS CB C 1.053 1.825 -2.617 1.00 . A A . 5 HIS CB 1 1
8 1503 1 1 6 HIS CD2 C 0.559 3.203 -4.759 1.00 . A A . 5 HIS CD2 1 1
8 1504 1 1 6 HIS CE1 C -0.188 1.582 -6.028 1.00 . A A . 5 HIS CE1 1 1
8 1505 1 1 6 HIS CG C 0.604 2.061 -4.027 1.00 . A A . 5 HIS CG 1 1
8 1506 1 1 6 HIS H H 1.088 2.210 -0.118 1.00 . A A . 5 HIS H 1 1
8 1507 1 1 6 HIS HA H -0.989 1.800 -1.958 1.00 . A A . 5 HIS HA 1 1
8 1508 1 1 6 HIS HB2 H 1.444 2.759 -2.239 1.00 . A A . 5 HIS HB2 1 1
8 1509 1 1 6 HIS HB3 H 1.844 1.092 -2.638 1.00 . A A . 5 HIS HB3 1 1
8 1510 1 1 6 HIS HD1 H 0.040 0.116 -4.615 1.00 . A A . 5 HIS HD1 1 1
8 1511 1 1 6 HIS HD2 H 0.858 4.190 -4.432 1.00 . A A . 5 HIS HD2 1 1
8 1512 1 1 6 HIS HE1 H -0.586 1.042 -6.873 1.00 . A A . 5 HIS HE1 1 1
8 1513 1 1 6 HIS HE2 H -0.078 3.500 -6.735 1.00 . A A . 5 HIS HE2 1 1
8 1514 1 1 6 HIS N N 0.250 1.730 -0.284 1.00 . A A . 5 HIS N 1 1
8 1515 1 1 6 HIS ND1 N 0.129 1.063 -4.853 1.00 . A A . 5 HIS ND1 1 1
8 1516 1 1 6 HIS NE2 N 0.063 2.876 -5.994 1.00 . A A . 5 HIS NE2 1 1
8 1517 1 1 6 HIS O O -1.104 -0.685 -2.482 1.00 . A A . 5 HIS O 1 1
8 1518 1 1 7 GLN C C -0.544 -2.968 -0.158 1.00 . A A . 6 GLN C 1 1
8 1519 1 1 7 GLN CA C 0.688 -2.381 -0.881 1.00 . A A . 6 GLN CA 1 1
8 1520 1 1 7 GLN CB C 1.972 -2.868 -0.183 1.00 . A A . 6 GLN CB 1 1
8 1521 1 1 7 GLN CD C 4.302 -3.829 -0.435 1.00 . A A . 6 GLN CD 1 1
8 1522 1 1 7 GLN CG C 3.144 -3.135 -1.126 1.00 . A A . 6 GLN CG 1 1
8 1523 1 1 7 GLN H H 1.317 -0.382 -0.463 1.00 . A A . 6 GLN H 1 1
8 1524 1 1 7 GLN HA H 0.688 -2.761 -1.890 1.00 . A A . 6 GLN HA 1 1
8 1525 1 1 7 GLN HB2 H 2.286 -2.126 0.534 1.00 . A A . 6 GLN HB2 1 1
8 1526 1 1 7 GLN HB3 H 1.750 -3.783 0.344 1.00 . A A . 6 GLN HB3 1 1
8 1527 1 1 7 GLN HE21 H 4.276 -5.289 -1.786 1.00 . A A . 6 GLN HE21 1 1
8 1528 1 1 7 GLN HE22 H 5.476 -5.430 -0.553 1.00 . A A . 6 GLN HE22 1 1
8 1529 1 1 7 GLN HG2 H 2.801 -3.759 -1.933 1.00 . A A . 6 GLN HG2 1 1
8 1530 1 1 7 GLN HG3 H 3.502 -2.202 -1.525 1.00 . A A . 6 GLN HG3 1 1
8 1531 1 1 7 GLN N N 0.660 -0.899 -0.977 1.00 . A A . 6 GLN N 1 1
8 1532 1 1 7 GLN NE2 N 4.727 -4.965 -0.979 1.00 . A A . 6 GLN NE2 1 1
8 1533 1 1 7 GLN O O -1.164 -3.903 -0.686 1.00 . A A . 6 GLN O 1 1
8 1534 1 1 7 GLN OE1 O 4.820 -3.344 0.570 1.00 . A A . 6 GLN OE1 1 1
8 1535 1 1 8 . C C -3.356 -2.748 1.101 1.00 . A A . 7 MK8 C 1 1
8 1536 1 1 8 . CA C -2.026 -2.878 1.938 1.00 . A A . 7 MK8 CA 1 1
8 1537 1 1 8 . CB C -2.172 -1.938 3.191 1.00 . A A . 7 MK8 CB 1 1
8 1538 1 1 8 . CB1 C -1.788 -4.349 2.441 1.00 . A A . 7 MK8 CB1 1 1
8 1539 1 1 8 . CD C -1.167 -1.434 5.487 1.00 . A A . 7 MK8 CD 1 1
8 1540 1 1 8 . CE C -0.031 -1.276 6.569 1.00 . A A . 7 MK8 CE 1 1
8 1541 1 1 8 . CG C -0.881 -1.532 3.972 1.00 . A A . 7 MK8 CG 1 1
8 1542 1 1 8 . HB H -2.839 -2.422 3.890 1.00 . A A . 7 MK8 HB 1 1
8 1543 1 1 8 . HB1 H -1.259 -4.324 3.384 1.00 . A A . 7 MK8 HB1 1 1
8 1544 1 1 8 . HB1A H -1.201 -4.888 1.715 1.00 . A A . 7 MK8 HB1A 1 1
8 1545 1 1 8 . HB1B H -2.740 -4.841 2.574 1.00 . A A . 7 MK8 HB1B 1 1
8 1546 1 1 8 . HBA H -2.642 -1.024 2.864 1.00 . A A . 7 MK8 HBA 1 1
8 1547 1 1 8 . HD H -1.724 -2.330 5.745 1.00 . A A . 7 MK8 HD 1 1
8 1548 1 1 8 . HDA H -1.829 -0.600 5.630 1.00 . A A . 7 MK8 HDA 1 1
8 1549 1 1 8 . HE H -0.252 -1.700 7.540 1.00 . A A . 7 MK8 HE 1 1
8 1550 1 1 8 . HG H -0.544 -0.566 3.621 1.00 . A A . 7 MK8 HG 1 1
8 1551 1 1 8 . HGA H -0.116 -2.275 3.792 1.00 . A A . 7 MK8 HGA 1 1
8 1552 1 1 8 . HN H -0.336 -1.700 1.416 1.00 . A A . 7 MK8 HN 1 1
8 1553 1 1 8 . N N -0.879 -2.422 1.079 1.00 . A A . 7 MK8 N 1 1
8 1554 1 1 8 . O O -4.358 -3.494 1.320 1.00 . A A . 7 MK8 O 1 1
8 1555 1 1 9 LEU C C -4.860 -2.523 -1.694 1.00 . A A . 8 LEU C 1 1
8 1556 1 1 9 LEU CA C -4.507 -1.387 -0.715 1.00 . A A . 8 LEU CA 1 1
8 1557 1 1 9 LEU CB C -4.253 -0.066 -1.485 1.00 . A A . 8 LEU CB 1 1
8 1558 1 1 9 LEU CD1 C -6.359 1.363 -1.192 1.00 . A A . 8 LEU CD1 1 1
8 1559 1 1 9 LEU CD2 C -5.024 1.503 -3.303 1.00 . A A . 8 LEU CD2 1 1
8 1560 1 1 9 LEU CG C -5.481 0.587 -2.178 1.00 . A A . 8 LEU CG 1 1
8 1561 1 1 9 LEU H H -2.544 -1.168 0.097 1.00 . A A . 8 LEU H 1 1
8 1562 1 1 9 LEU HA H -5.357 -1.235 -0.065 1.00 . A A . 8 LEU HA 1 1
8 1563 1 1 9 LEU HB2 H -3.845 0.652 -0.789 1.00 . A A . 8 LEU HB2 1 1
8 1564 1 1 9 LEU HB3 H -3.511 -0.262 -2.243 1.00 . A A . 8 LEU HB3 1 1
8 1565 1 1 9 LEU HD11 H -6.863 2.164 -1.712 1.00 . A A . 8 LEU HD11 1 1
8 1566 1 1 9 LEU HD12 H -5.742 1.775 -0.407 1.00 . A A . 8 LEU HD12 1 1
8 1567 1 1 9 LEU HD13 H -7.092 0.696 -0.761 1.00 . A A . 8 LEU HD13 1 1
8 1568 1 1 9 LEU HD21 H -4.813 2.484 -2.904 1.00 . A A . 8 LEU HD21 1 1
8 1569 1 1 9 LEU HD22 H -5.805 1.577 -4.045 1.00 . A A . 8 LEU HD22 1 1
8 1570 1 1 9 LEU HD23 H -4.133 1.098 -3.757 1.00 . A A . 8 LEU HD23 1 1
8 1571 1 1 9 LEU HG H -6.090 -0.191 -2.614 1.00 . A A . 8 LEU HG 1 1
8 1572 1 1 9 LEU N N -3.351 -1.724 0.164 1.00 . A A . 8 LEU N 1 1
8 1573 1 1 9 LEU O O -6.053 -2.688 -2.016 1.00 . A A . 8 LEU O 1 1
8 1574 1 1 10 GLN C C -4.378 -5.716 -2.543 1.00 . A A . 9 GLN C 1 1
8 1575 1 1 10 GLN CA C -3.943 -4.378 -3.164 1.00 . A A . 9 GLN CA 1 1
8 1576 1 1 10 GLN CB C -2.649 -4.587 -3.963 1.00 . A A . 9 GLN CB 1 1
8 1577 1 1 10 GLN CD C -1.584 -4.161 -6.225 1.00 . A A . 9 GLN CD 1 1
8 1578 1 1 10 GLN CG C -2.499 -3.627 -5.134 1.00 . A A . 9 GLN CG 1 1
8 1579 1 1 10 GLN H H -2.896 -3.032 -1.877 1.00 . A A . 9 GLN H 1 1
8 1580 1 1 10 GLN HA H -4.709 -4.071 -3.863 1.00 . A A . 9 GLN HA 1 1
8 1581 1 1 10 GLN HB2 H -1.804 -4.451 -3.305 1.00 . A A . 9 GLN HB2 1 1
8 1582 1 1 10 GLN HB3 H -2.635 -5.596 -4.348 1.00 . A A . 9 GLN HB3 1 1
8 1583 1 1 10 GLN HE21 H -0.392 -2.578 -6.055 1.00 . A A . 9 GLN HE21 1 1
8 1584 1 1 10 GLN HE22 H 0.072 -3.738 -7.248 1.00 . A A . 9 GLN HE22 1 1
8 1585 1 1 10 GLN HG2 H -3.475 -3.449 -5.562 1.00 . A A . 9 GLN HG2 1 1
8 1586 1 1 10 GLN HG3 H -2.093 -2.696 -4.769 1.00 . A A . 9 GLN HG3 1 1
8 1587 1 1 10 GLN N N -3.798 -3.269 -2.178 1.00 . A A . 9 GLN N 1 1
8 1588 1 1 10 GLN NE2 N -0.527 -3.418 -6.539 1.00 . A A . 9 GLN NE2 1 1
8 1589 1 1 10 GLN O O -5.291 -6.360 -3.097 1.00 . A A . 9 GLN O 1 1
8 1590 1 1 10 GLN OE1 O -1.830 -5.228 -6.787 1.00 . A A . 9 GLN OE1 1 1
8 1591 1 1 11 ASP C C -5.305 -7.496 -0.017 1.00 . A A . 10 ASP C 1 1
8 1592 1 1 11 ASP CA C -3.930 -7.430 -0.724 1.00 . A A . 10 ASP CA 1 1
8 1593 1 1 11 ASP CB C -2.792 -7.731 0.278 1.00 . A A . 10 ASP CB 1 1
8 1594 1 1 11 ASP CG C -2.877 -9.134 0.862 1.00 . A A . 10 ASP CG 1 1
8 1595 1 1 11 ASP H H -2.953 -5.568 -1.095 1.00 . A A . 10 ASP H 1 1
8 1596 1 1 11 ASP HA H -3.914 -8.200 -1.484 1.00 . A A . 10 ASP HA 1 1
8 1597 1 1 11 ASP HB2 H -1.840 -7.637 -0.224 1.00 . A A . 10 ASP HB2 1 1
8 1598 1 1 11 ASP HB3 H -2.833 -7.024 1.091 1.00 . A A . 10 ASP HB3 1 1
8 1599 1 1 11 ASP N N -3.680 -6.137 -1.424 1.00 . A A . 10 ASP N 1 1
8 1600 1 1 11 ASP O O -5.636 -8.572 0.524 1.00 . A A . 10 ASP O 1 1
8 1601 1 1 11 ASP OD1 O -2.831 -10.105 0.079 1.00 . A A . 10 ASP OD1 1 1
8 1602 1 1 11 ASP OD2 O -2.993 -9.256 2.098 1.00 . A A . 10 ASP OD2 1 1
8 1603 1 1 12 SER C C -8.551 -6.853 -0.344 1.00 . A A . 11 SER C 1 1
8 1604 1 1 12 SER CA C -7.440 -6.260 0.599 1.00 . A A . 11 SER CA 1 1
8 1605 1 1 12 SER CB C -7.704 -4.812 1.099 1.00 . A A . 11 SER CB 1 1
8 1606 1 1 12 SER H H -5.738 -5.555 -0.489 1.00 . A A . 11 SER H 1 1
8 1607 1 1 12 SER HA H -7.401 -6.905 1.471 1.00 . A A . 11 SER HA 1 1
8 1608 1 1 12 SER HB2 H -8.757 -4.697 1.302 1.00 . A A . 11 SER HB2 1 1
8 1609 1 1 12 SER HB3 H -7.145 -4.632 2.007 1.00 . A A . 11 SER HB3 1 1
8 1610 1 1 12 SER HG H -8.110 -3.544 -0.337 1.00 . A A . 11 SER HG 1 1
8 1611 1 1 12 SER N N -6.091 -6.349 -0.035 1.00 . A A . 11 SER N 1 1
8 1612 1 1 12 SER O O -8.604 -8.073 -0.489 1.00 . A A . 11 SER O 1 1
8 1613 1 1 12 SER OG O -7.327 -3.860 0.121 1.00 . A A . 11 SER OG 1 1
8 1614 1 1 13 NH2 HN1 H -9.389 -5.084 -0.842 1.00 . A A . 12 NH2 HN1 1 1
8 1615 1 1 13 NH2 HN2 H -10.112 -6.478 -1.553 1.00 . A A . 12 NH2 HN2 1 1
8 1616 1 1 13 NH2 N N -9.442 -6.052 -0.979 1.00 . A A . 12 NH2 N 1 1
9 1617 1 1 1 ACE C C 5.080 5.366 3.451 1.00 . A A . 0 ACE C 1 1
9 1618 1 1 1 ACE CH3 C 6.368 5.231 4.238 1.00 . A A . 0 ACE CH3 1 1
9 1619 1 1 1 ACE H1 H 6.540 6.136 4.802 1.00 . A A . 0 ACE H1 1 1
9 1620 1 1 1 ACE H2 H 7.191 5.069 3.557 1.00 . A A . 0 ACE H2 1 1
9 1621 1 1 1 ACE H3 H 6.291 4.394 4.915 1.00 . A A . 0 ACE H3 1 1
9 1622 1 1 1 ACE O O 4.040 4.833 3.883 1.00 . A A . 0 ACE O 1 1
9 1623 1 1 2 HIS C C 3.723 5.129 0.521 1.00 . A A . 1 HIS C 1 1
9 1624 1 1 2 HIS CA C 4.044 6.365 1.377 1.00 . A A . 1 HIS CA 1 1
9 1625 1 1 2 HIS CB C 4.361 7.575 0.479 1.00 . A A . 1 HIS CB 1 1
9 1626 1 1 2 HIS CD2 C 2.686 9.492 -0.062 1.00 . A A . 1 HIS CD2 1 1
9 1627 1 1 2 HIS CE1 C 1.302 8.359 -1.328 1.00 . A A . 1 HIS CE1 1 1
9 1628 1 1 2 HIS CG C 3.150 8.221 -0.135 1.00 . A A . 1 HIS CG 1 1
9 1629 1 1 2 HIS H H 6.049 6.480 2.058 1.00 . A A . 1 HIS H 1 1
9 1630 1 1 2 HIS HA H 3.184 6.600 1.985 1.00 . A A . 1 HIS HA 1 1
9 1631 1 1 2 HIS HB2 H 4.873 8.324 1.065 1.00 . A A . 1 HIS HB2 1 1
9 1632 1 1 2 HIS HB3 H 5.007 7.259 -0.326 1.00 . A A . 1 HIS HB3 1 1
9 1633 1 1 2 HIS HD1 H 2.321 6.591 -1.182 1.00 . A A . 1 HIS HD1 1 1
9 1634 1 1 2 HIS HD2 H 3.137 10.310 0.483 1.00 . A A . 1 HIS HD2 1 1
9 1635 1 1 2 HIS HE1 H 0.466 8.099 -1.962 1.00 . A A . 1 HIS HE1 1 1
9 1636 1 1 2 HIS HE2 H 0.906 10.301 -0.822 1.00 . A A . 1 HIS HE2 1 1
9 1637 1 1 2 HIS N N 5.175 6.101 2.288 1.00 . A A . 1 HIS N 1 1
9 1638 1 1 2 HIS ND1 N 2.259 7.537 -0.936 1.00 . A A . 1 HIS ND1 1 1
9 1639 1 1 2 HIS NE2 N 1.537 9.551 -0.811 1.00 . A A . 1 HIS NE2 1 1
9 1640 1 1 2 HIS O O 2.555 4.941 0.136 1.00 . A A . 1 HIS O 1 1
9 1641 1 1 3 LYS C C 3.955 1.939 0.122 1.00 . A A . 2 LYS C 1 1
9 1642 1 1 3 LYS CA C 4.703 3.073 -0.593 1.00 . A A . 2 LYS CA 1 1
9 1643 1 1 3 LYS CB C 6.094 2.571 -1.026 1.00 . A A . 2 LYS CB 1 1
9 1644 1 1 3 LYS CD C 8.205 2.941 -2.347 1.00 . A A . 2 LYS CD 1 1
9 1645 1 1 3 LYS CE C 8.970 3.865 -3.290 1.00 . A A . 2 LYS CE 1 1
9 1646 1 1 3 LYS CG C 6.819 3.480 -2.014 1.00 . A A . 2 LYS CG 1 1
9 1647 1 1 3 LYS H H 5.674 4.565 0.584 1.00 . A A . 2 LYS H 1 1
9 1648 1 1 3 LYS HA H 4.146 3.332 -1.481 1.00 . A A . 2 LYS HA 1 1
9 1649 1 1 3 LYS HB2 H 6.718 2.456 -0.155 1.00 . A A . 2 LYS HB2 1 1
9 1650 1 1 3 LYS HB3 H 5.976 1.605 -1.493 1.00 . A A . 2 LYS HB3 1 1
9 1651 1 1 3 LYS HD2 H 8.768 2.839 -1.431 1.00 . A A . 2 LYS HD2 1 1
9 1652 1 1 3 LYS HD3 H 8.100 1.973 -2.814 1.00 . A A . 2 LYS HD3 1 1
9 1653 1 1 3 LYS HE2 H 9.079 4.832 -2.821 1.00 . A A . 2 LYS HE2 1 1
9 1654 1 1 3 LYS HE3 H 9.950 3.443 -3.466 1.00 . A A . 2 LYS HE3 1 1
9 1655 1 1 3 LYS HG2 H 6.240 3.538 -2.924 1.00 . A A . 2 LYS HG2 1 1
9 1656 1 1 3 LYS HG3 H 6.920 4.464 -1.586 1.00 . A A . 2 LYS HG3 1 1
9 1657 1 1 3 LYS HZ1 H 7.247 4.044 -4.461 1.00 . A A . 2 LYS HZ1 1 1
9 1658 1 1 3 LYS HZ2 H 8.526 3.258 -5.240 1.00 . A A . 2 LYS HZ2 1 1
9 1659 1 1 3 LYS HZ3 H 8.564 4.936 -5.038 1.00 . A A . 2 LYS HZ3 1 1
9 1660 1 1 3 LYS N N 4.797 4.309 0.231 1.00 . A A . 2 LYS N 1 1
9 1661 1 1 3 LYS NZ N 8.278 4.038 -4.599 1.00 . A A . 2 LYS NZ 1 1
9 1662 1 1 3 LYS O O 3.192 1.194 -0.523 1.00 . A A . 2 LYS O 1 1
9 1663 1 1 4 . C C 2.001 0.652 2.065 1.00 . A A . 3 MK8 C 1 1
9 1664 1 1 4 . CA C 3.572 0.706 2.353 1.00 . A A . 3 MK8 CA 1 1
9 1665 1 1 4 . CB C 3.857 1.057 3.881 1.00 . A A . 3 MK8 CB 1 1
9 1666 1 1 4 . CB1 C 4.334 -0.621 2.007 1.00 . A A . 3 MK8 CB1 1 1
9 1667 1 1 4 . CD C 1.689 0.496 5.230 1.00 . A A . 3 MK8 CD 1 1
9 1668 1 1 4 . CE C 0.896 -0.321 6.296 1.00 . A A . 3 MK8 CE 1 1
9 1669 1 1 4 . CG C 3.180 0.204 5.022 1.00 . A A . 3 MK8 CG 1 1
9 1670 1 1 4 . HB H 3.569 2.088 4.034 1.00 . A A . 3 MK8 HB 1 1
9 1671 1 1 4 . HB1 H 4.969 -0.899 2.837 1.00 . A A . 3 MK8 HB1 1 1
9 1672 1 1 4 . HB1A H 4.942 -0.469 1.127 1.00 . A A . 3 MK8 HB1A 1 1
9 1673 1 1 4 . HB1B H 3.620 -1.410 1.817 1.00 . A A . 3 MK8 HB1B 1 1
9 1674 1 1 4 . HBA H 4.922 0.990 4.035 1.00 . A A . 3 MK8 HBA 1 1
9 1675 1 1 4 . HD H 1.205 0.338 4.275 1.00 . A A . 3 MK8 HD 1 1
9 1676 1 1 4 . HDA H 1.587 1.539 5.479 1.00 . A A . 3 MK8 HDA 1 1
9 1677 1 1 4 . HE H 1.046 -0.038 7.327 1.00 . A A . 3 MK8 HE 1 1
9 1678 1 1 4 . HG H 3.704 0.401 5.946 1.00 . A A . 3 MK8 HG 1 1
9 1679 1 1 4 . HGA H 3.286 -0.840 4.778 1.00 . A A . 3 MK8 HGA 1 1
9 1680 1 1 4 . HN H 4.818 2.400 1.924 1.00 . A A . 3 MK8 HN 1 1
9 1681 1 1 4 . N N 4.193 1.783 1.492 1.00 . A A . 3 MK8 N 1 1
9 1682 1 1 4 . O O 1.455 -0.339 1.531 1.00 . A A . 3 MK8 O 1 1
9 1683 1 1 5 LEU C C -0.721 1.647 1.009 1.00 . A A . 4 LEU C 1 1
9 1684 1 1 5 LEU CA C -0.177 1.939 2.409 1.00 . A A . 4 LEU CA 1 1
9 1685 1 1 5 LEU CB C -0.610 3.346 2.883 1.00 . A A . 4 LEU CB 1 1
9 1686 1 1 5 LEU CD1 C -2.524 2.973 4.556 1.00 . A A . 4 LEU CD1 1 1
9 1687 1 1 5 LEU CD2 C -2.465 5.035 3.146 1.00 . A A . 4 LEU CD2 1 1
9 1688 1 1 5 LEU CG C -2.121 3.555 3.194 1.00 . A A . 4 LEU CG 1 1
9 1689 1 1 5 LEU H H 1.804 2.480 2.952 1.00 . A A . 4 LEU H 1 1
9 1690 1 1 5 LEU HA H -0.609 1.215 3.085 1.00 . A A . 4 LEU HA 1 1
9 1691 1 1 5 LEU HB2 H -0.055 3.578 3.779 1.00 . A A . 4 LEU HB2 1 1
9 1692 1 1 5 LEU HB3 H -0.329 4.054 2.117 1.00 . A A . 4 LEU HB3 1 1
9 1693 1 1 5 LEU HD11 H -1.879 3.371 5.324 1.00 . A A . 4 LEU HD11 1 1
9 1694 1 1 5 LEU HD12 H -2.430 1.897 4.529 1.00 . A A . 4 LEU HD12 1 1
9 1695 1 1 5 LEU HD13 H -3.549 3.238 4.771 1.00 . A A . 4 LEU HD13 1 1
9 1696 1 1 5 LEU HD21 H -2.056 5.527 4.017 1.00 . A A . 4 LEU HD21 1 1
9 1697 1 1 5 LEU HD22 H -3.538 5.156 3.136 1.00 . A A . 4 LEU HD22 1 1
9 1698 1 1 5 LEU HD23 H -2.044 5.474 2.254 1.00 . A A . 4 LEU HD23 1 1
9 1699 1 1 5 LEU HG H -2.710 3.057 2.439 1.00 . A A . 4 LEU HG 1 1
9 1700 1 1 5 LEU N N 1.294 1.771 2.506 1.00 . A A . 4 LEU N 1 1
9 1701 1 1 5 LEU O O -1.946 1.443 0.879 1.00 . A A . 4 LEU O 1 1
9 1702 1 1 6 HIS C C -0.323 -0.183 -1.611 1.00 . A A . 5 HIS C 1 1
9 1703 1 1 6 HIS CA C -0.141 1.331 -1.431 1.00 . A A . 5 HIS CA 1 1
9 1704 1 1 6 HIS CB C 0.928 1.908 -2.381 1.00 . A A . 5 HIS CB 1 1
9 1705 1 1 6 HIS CD2 C 0.405 3.067 -4.657 1.00 . A A . 5 HIS CD2 1 1
9 1706 1 1 6 HIS CE1 C -0.193 1.290 -5.793 1.00 . A A . 5 HIS CE1 1 1
9 1707 1 1 6 HIS CG C 0.502 1.999 -3.823 1.00 . A A . 5 HIS CG 1 1
9 1708 1 1 6 HIS H H 1.146 1.779 0.202 1.00 . A A . 5 HIS H 1 1
9 1709 1 1 6 HIS HA H -1.089 1.810 -1.632 1.00 . A A . 5 HIS HA 1 1
9 1710 1 1 6 HIS HB2 H 1.179 2.909 -2.056 1.00 . A A . 5 HIS HB2 1 1
9 1711 1 1 6 HIS HB3 H 1.812 1.292 -2.335 1.00 . A A . 5 HIS HB3 1 1
9 1712 1 1 6 HIS HD1 H 0.082 -0.023 -4.245 1.00 . A A . 5 HIS HD1 1 1
9 1713 1 1 6 HIS HD2 H 0.633 4.096 -4.415 1.00 . A A . 5 HIS HD2 1 1
9 1714 1 1 6 HIS HE1 H -0.520 0.646 -6.595 1.00 . A A . 5 HIS HE1 1 1
9 1715 1 1 6 HIS HE2 H -0.266 3.149 -6.645 1.00 . A A . 5 HIS HE2 1 1
9 1716 1 1 6 HIS N N 0.206 1.616 -0.018 1.00 . A A . 5 HIS N 1 1
9 1717 1 1 6 HIS ND1 N 0.119 0.902 -4.567 1.00 . A A . 5 HIS ND1 1 1
9 1718 1 1 6 HIS NE2 N -0.029 2.596 -5.871 1.00 . A A . 5 HIS NE2 1 1
9 1719 1 1 6 HIS O O -1.315 -0.614 -2.225 1.00 . A A . 5 HIS O 1 1
9 1720 1 1 7 GLN C C -0.545 -3.037 -0.311 1.00 . A A . 6 GLN C 1 1
9 1721 1 1 7 GLN CA C 0.663 -2.451 -1.061 1.00 . A A . 6 GLN CA 1 1
9 1722 1 1 7 GLN CB C 1.953 -3.012 -0.424 1.00 . A A . 6 GLN CB 1 1
9 1723 1 1 7 GLN CD C 4.345 -3.791 -0.704 1.00 . A A . 6 GLN CD 1 1
9 1724 1 1 7 GLN CG C 3.141 -3.150 -1.372 1.00 . A A . 6 GLN CG 1 1
9 1725 1 1 7 GLN H H 1.386 -0.502 -0.571 1.00 . A A . 6 GLN H 1 1
9 1726 1 1 7 GLN HA H 0.613 -2.763 -2.094 1.00 . A A . 6 GLN HA 1 1
9 1727 1 1 7 GLN HB2 H 2.252 -2.364 0.384 1.00 . A A . 6 GLN HB2 1 1
9 1728 1 1 7 GLN HB3 H 1.734 -3.987 -0.016 1.00 . A A . 6 GLN HB3 1 1
9 1729 1 1 7 GLN HE21 H 4.359 -5.259 -2.048 1.00 . A A . 6 GLN HE21 1 1
9 1730 1 1 7 GLN HE22 H 5.588 -5.336 -0.838 1.00 . A A . 6 GLN HE22 1 1
9 1731 1 1 7 GLN HG2 H 2.849 -3.757 -2.211 1.00 . A A . 6 GLN HG2 1 1
9 1732 1 1 7 GLN HG3 H 3.433 -2.175 -1.720 1.00 . A A . 6 GLN HG3 1 1
9 1733 1 1 7 GLN N N 0.655 -0.964 -1.033 1.00 . A A . 6 GLN N 1 1
9 1734 1 1 7 GLN NE2 N 4.810 -4.909 -1.252 1.00 . A A . 6 GLN NE2 1 1
9 1735 1 1 7 GLN O O -1.118 -4.045 -0.745 1.00 . A A . 6 GLN O 1 1
9 1736 1 1 7 GLN OE1 O 4.860 -3.279 0.289 1.00 . A A . 6 GLN OE1 1 1
9 1737 1 1 8 . C C -3.360 -2.772 0.929 1.00 . A A . 7 MK8 C 1 1
9 1738 1 1 8 . CA C -2.026 -2.774 1.759 1.00 . A A . 7 MK8 CA 1 1
9 1739 1 1 8 . CB C -2.197 -1.696 2.889 1.00 . A A . 7 MK8 CB 1 1
9 1740 1 1 8 . CB1 C -1.739 -4.150 2.438 1.00 . A A . 7 MK8 CB1 1 1
9 1741 1 1 8 . CD C -0.416 -2.013 4.707 1.00 . A A . 7 MK8 CD 1 1
9 1742 1 1 8 . CE C 0.013 -1.371 6.072 1.00 . A A . 7 MK8 CE 1 1
9 1743 1 1 8 . CG C -0.923 -1.121 3.577 1.00 . A A . 7 MK8 CG 1 1
9 1744 1 1 8 . HB H -2.816 -2.129 3.660 1.00 . A A . 7 MK8 HB 1 1
9 1745 1 1 8 . HB1 H -1.221 -3.983 3.371 1.00 . A A . 7 MK8 HB1 1 1
9 1746 1 1 8 . HB1A H -1.125 -4.754 1.789 1.00 . A A . 7 MK8 HB1A 1 1
9 1747 1 1 8 . HB1B H -2.672 -4.659 2.629 1.00 . A A . 7 MK8 HB1B 1 1
9 1748 1 1 8 . HBA H -2.726 -0.858 2.468 1.00 . A A . 7 MK8 HBA 1 1
9 1749 1 1 8 . HD H 0.430 -2.571 4.324 1.00 . A A . 7 MK8 HD 1 1
9 1750 1 1 8 . HDA H -1.199 -2.713 4.931 1.00 . A A . 7 MK8 HDA 1 1
9 1751 1 1 8 . HE H -0.434 -1.803 6.954 1.00 . A A . 7 MK8 HE 1 1
9 1752 1 1 8 . HG H -1.146 -0.140 3.975 1.00 . A A . 7 MK8 HG 1 1
9 1753 1 1 8 . HGA H -0.148 -1.033 2.841 1.00 . A A . 7 MK8 HGA 1 1
9 1754 1 1 8 . HN H -0.389 -1.600 1.093 1.00 . A A . 7 MK8 HN 1 1
9 1755 1 1 8 . N N -0.903 -2.380 0.848 1.00 . A A . 7 MK8 N 1 1
9 1756 1 1 8 . O O -4.331 -3.528 1.213 1.00 . A A . 7 MK8 O 1 1
9 1757 1 1 9 LEU C C -4.913 -2.756 -1.874 1.00 . A A . 8 LEU C 1 1
9 1758 1 1 9 LEU CA C -4.554 -1.571 -0.965 1.00 . A A . 8 LEU CA 1 1
9 1759 1 1 9 LEU CB C -4.301 -0.297 -1.846 1.00 . A A . 8 LEU CB 1 1
9 1760 1 1 9 LEU CD1 C -6.559 -0.132 -3.205 1.00 . A A . 8 LEU CD1 1 1
9 1761 1 1 9 LEU CD2 C -6.195 1.335 -1.180 1.00 . A A . 8 LEU CD2 1 1
9 1762 1 1 9 LEU CG C -5.511 0.601 -2.340 1.00 . A A . 8 LEU CG 1 1
9 1763 1 1 9 LEU H H -2.605 -1.249 -0.179 1.00 . A A . 8 LEU H 1 1
9 1764 1 1 9 LEU HA H -5.400 -1.373 -0.327 1.00 . A A . 8 LEU HA 1 1
9 1765 1 1 9 LEU HB2 H -3.647 0.350 -1.285 1.00 . A A . 8 LEU HB2 1 1
9 1766 1 1 9 LEU HB3 H -3.760 -0.620 -2.725 1.00 . A A . 8 LEU HB3 1 1
9 1767 1 1 9 LEU HD11 H -7.425 0.502 -3.334 1.00 . A A . 8 LEU HD11 1 1
9 1768 1 1 9 LEU HD12 H -6.854 -1.047 -2.715 1.00 . A A . 8 LEU HD12 1 1
9 1769 1 1 9 LEU HD13 H -6.133 -0.361 -4.171 1.00 . A A . 8 LEU HD13 1 1
9 1770 1 1 9 LEU HD21 H -5.477 1.510 -0.391 1.00 . A A . 8 LEU HD21 1 1
9 1771 1 1 9 LEU HD22 H -7.007 0.733 -0.801 1.00 . A A . 8 LEU HD22 1 1
9 1772 1 1 9 LEU HD23 H -6.581 2.281 -1.531 1.00 . A A . 8 LEU HD23 1 1
9 1773 1 1 9 LEU HG H -5.092 1.367 -2.977 1.00 . A A . 8 LEU HG 1 1
9 1774 1 1 9 LEU N N -3.392 -1.824 -0.074 1.00 . A A . 8 LEU N 1 1
9 1775 1 1 9 LEU O O -6.117 -2.992 -2.100 1.00 . A A . 8 LEU O 1 1
9 1776 1 1 10 GLN C C -4.318 -5.931 -2.690 1.00 . A A . 9 GLN C 1 1
9 1777 1 1 10 GLN CA C -4.010 -4.595 -3.370 1.00 . A A . 9 GLN CA 1 1
9 1778 1 1 10 GLN CB C -2.770 -4.736 -4.274 1.00 . A A . 9 GLN CB 1 1
9 1779 1 1 10 GLN CD C -3.710 -3.770 -6.453 1.00 . A A . 9 GLN CD 1 1
9 1780 1 1 10 GLN CG C -2.651 -3.662 -5.360 1.00 . A A . 9 GLN CG 1 1
9 1781 1 1 10 GLN H H -2.943 -3.162 -2.201 1.00 . A A . 9 GLN H 1 1
9 1782 1 1 10 GLN HA H -4.850 -4.354 -4.002 1.00 . A A . 9 GLN HA 1 1
9 1783 1 1 10 GLN HB2 H -1.883 -4.683 -3.661 1.00 . A A . 9 GLN HB2 1 1
9 1784 1 1 10 GLN HB3 H -2.800 -5.702 -4.758 1.00 . A A . 9 GLN HB3 1 1
9 1785 1 1 10 GLN HE21 H -2.298 -3.860 -7.854 1.00 . A A . 9 GLN HE21 1 1
9 1786 1 1 10 GLN HE22 H -3.927 -3.929 -8.427 1.00 . A A . 9 GLN HE22 1 1
9 1787 1 1 10 GLN HG2 H -2.740 -2.694 -4.895 1.00 . A A . 9 GLN HG2 1 1
9 1788 1 1 10 GLN HG3 H -1.676 -3.748 -5.819 1.00 . A A . 9 GLN HG3 1 1
9 1789 1 1 10 GLN N N -3.851 -3.457 -2.423 1.00 . A A . 9 GLN N 1 1
9 1790 1 1 10 GLN NE2 N -3.267 -3.864 -7.704 1.00 . A A . 9 GLN NE2 1 1
9 1791 1 1 10 GLN O O -5.144 -6.695 -3.232 1.00 . A A . 9 GLN O 1 1
9 1792 1 1 10 GLN OE1 O -4.908 -3.762 -6.173 1.00 . A A . 9 GLN OE1 1 1
9 1793 1 1 11 ASP C C -5.208 -7.515 -0.097 1.00 . A A . 10 ASP C 1 1
9 1794 1 1 11 ASP CA C -3.811 -7.449 -0.730 1.00 . A A . 10 ASP CA 1 1
9 1795 1 1 11 ASP CB C -2.707 -7.573 0.339 1.00 . A A . 10 ASP CB 1 1
9 1796 1 1 11 ASP CG C -2.748 -8.896 1.089 1.00 . A A . 10 ASP CG 1 1
9 1797 1 1 11 ASP H H -3.011 -5.525 -1.180 1.00 . A A . 10 ASP H 1 1
9 1798 1 1 11 ASP HA H -3.717 -8.275 -1.422 1.00 . A A . 10 ASP HA 1 1
9 1799 1 1 11 ASP HB2 H -1.741 -7.495 -0.139 1.00 . A A . 10 ASP HB2 1 1
9 1800 1 1 11 ASP HB3 H -2.811 -6.772 1.053 1.00 . A A . 10 ASP HB3 1 1
9 1801 1 1 11 ASP N N -3.641 -6.199 -1.514 1.00 . A A . 10 ASP N 1 1
9 1802 1 1 11 ASP O O -5.801 -8.609 -0.037 1.00 . A A . 10 ASP O 1 1
9 1803 1 1 11 ASP OD1 O -3.786 -9.190 1.716 1.00 . A A . 10 ASP OD1 1 1
9 1804 1 1 11 ASP OD2 O -1.743 -9.634 1.045 1.00 . A A . 10 ASP OD2 1 1
9 1805 1 1 12 SER C C -8.153 -6.008 0.012 1.00 . A A . 11 SER C 1 1
9 1806 1 1 12 SER CA C -7.014 -6.157 1.039 1.00 . A A . 11 SER CA 1 1
9 1807 1 1 12 SER CB C -6.963 -4.947 1.991 1.00 . A A . 11 SER CB 1 1
9 1808 1 1 12 SER H H -5.131 -5.525 0.285 1.00 . A A . 11 SER H 1 1
9 1809 1 1 12 SER HA H -7.199 -7.049 1.624 1.00 . A A . 11 SER HA 1 1
9 1810 1 1 12 SER HB2 H -6.949 -4.032 1.420 1.00 . A A . 11 SER HB2 1 1
9 1811 1 1 12 SER HB3 H -7.829 -4.955 2.640 1.00 . A A . 11 SER HB3 1 1
9 1812 1 1 12 SER HG H -6.012 -5.408 3.639 1.00 . A A . 11 SER HG 1 1
9 1813 1 1 12 SER N N -5.697 -6.319 0.380 1.00 . A A . 11 SER N 1 1
9 1814 1 1 12 SER O O -9.308 -5.794 0.387 1.00 . A A . 11 SER O 1 1
9 1815 1 1 12 SER OG O -5.801 -4.995 2.800 1.00 . A A . 11 SER OG 1 1
9 1816 1 1 13 NH2 HN1 H -6.976 -6.653 -1.466 1.00 . A A . 12 NH2 HN1 1 1
9 1817 1 1 13 NH2 HN2 H -8.596 -6.267 -1.920 1.00 . A A . 12 NH2 HN2 1 1
9 1818 1 1 13 NH2 N N -7.877 -6.340 -1.252 1.00 . A A . 12 NH2 N 1 1
10 1819 1 1 1 ACE C C 5.118 5.261 3.493 1.00 . A A . 0 ACE C 1 1
10 1820 1 1 1 ACE CH3 C 6.366 5.096 4.337 1.00 . A A . 0 ACE CH3 1 1
10 1821 1 1 1 ACE H1 H 6.593 6.029 4.832 1.00 . A A . 0 ACE H1 1 1
10 1822 1 1 1 ACE H2 H 7.195 4.815 3.704 1.00 . A A . 0 ACE H2 1 1
10 1823 1 1 1 ACE H3 H 6.202 4.327 5.078 1.00 . A A . 0 ACE H3 1 1
10 1824 1 1 1 ACE O O 4.043 4.771 3.888 1.00 . A A . 0 ACE O 1 1
10 1825 1 1 2 HIS C C 3.863 5.026 0.510 1.00 . A A . 1 HIS C 1 1
10 1826 1 1 2 HIS CA C 4.198 6.263 1.362 1.00 . A A . 1 HIS CA 1 1
10 1827 1 1 2 HIS CB C 4.601 7.450 0.463 1.00 . A A . 1 HIS CB 1 1
10 1828 1 1 2 HIS CD2 C 3.028 9.411 -0.202 1.00 . A A . 1 HIS CD2 1 1
10 1829 1 1 2 HIS CE1 C 1.695 8.311 -1.551 1.00 . A A . 1 HIS CE1 1 1
10 1830 1 1 2 HIS CG C 3.451 8.124 -0.231 1.00 . A A . 1 HIS CG 1 1
10 1831 1 1 2 HIS H H 6.179 6.325 2.126 1.00 . A A . 1 HIS H 1 1
10 1832 1 1 2 HIS HA H 3.322 6.539 1.930 1.00 . A A . 1 HIS HA 1 1
10 1833 1 1 2 HIS HB2 H 5.100 8.193 1.066 1.00 . A A . 1 HIS HB2 1 1
10 1834 1 1 2 HIS HB3 H 5.285 7.103 -0.298 1.00 . A A . 1 HIS HB3 1 1
10 1835 1 1 2 HIS HD1 H 2.638 6.510 -1.315 1.00 . A A . 1 HIS HD1 1 1
10 1836 1 1 2 HIS HD2 H 3.469 10.220 0.364 1.00 . A A . 1 HIS HD2 1 1
10 1837 1 1 2 HIS HE1 H 0.899 8.073 -2.241 1.00 . A A . 1 HIS HE1 1 1
10 1838 1 1 2 HIS HE2 H 1.491 10.332 -1.295 1.00 . A A . 1 HIS HE2 1 1
10 1839 1 1 2 HIS N N 5.284 5.975 2.324 1.00 . A A . 1 HIS N 1 1
10 1840 1 1 2 HIS ND1 N 2.594 7.461 -1.084 1.00 . A A . 1 HIS ND1 1 1
10 1841 1 1 2 HIS NE2 N 1.936 9.500 -1.030 1.00 . A A . 1 HIS NE2 1 1
10 1842 1 1 2 HIS O O 2.710 4.894 0.061 1.00 . A A . 1 HIS O 1 1
10 1843 1 1 3 LYS C C 3.938 1.809 0.192 1.00 . A A . 2 LYS C 1 1
10 1844 1 1 3 LYS CA C 4.781 2.886 -0.502 1.00 . A A . 2 LYS CA 1 1
10 1845 1 1 3 LYS CB C 6.158 2.298 -0.855 1.00 . A A . 2 LYS CB 1 1
10 1846 1 1 3 LYS CD C 8.224 2.360 -2.288 1.00 . A A . 2 LYS CD 1 1
10 1847 1 1 3 LYS CE C 9.031 3.136 -3.326 1.00 . A A . 2 LYS CE 1 1
10 1848 1 1 3 LYS CG C 6.910 3.052 -1.948 1.00 . A A . 2 LYS CG 1 1
10 1849 1 1 3 LYS H H 5.769 4.344 0.704 1.00 . A A . 2 LYS H 1 1
10 1850 1 1 3 LYS HA H 4.284 3.154 -1.420 1.00 . A A . 2 LYS HA 1 1
10 1851 1 1 3 LYS HB2 H 6.773 2.285 0.029 1.00 . A A . 2 LYS HB2 1 1
10 1852 1 1 3 LYS HB3 H 6.018 1.282 -1.189 1.00 . A A . 2 LYS HB3 1 1
10 1853 1 1 3 LYS HD2 H 8.813 2.270 -1.388 1.00 . A A . 2 LYS HD2 1 1
10 1854 1 1 3 LYS HD3 H 8.008 1.376 -2.677 1.00 . A A . 2 LYS HD3 1 1
10 1855 1 1 3 LYS HE2 H 8.431 3.262 -4.215 1.00 . A A . 2 LYS HE2 1 1
10 1856 1 1 3 LYS HE3 H 9.283 4.106 -2.921 1.00 . A A . 2 LYS HE3 1 1
10 1857 1 1 3 LYS HG2 H 6.292 3.088 -2.834 1.00 . A A . 2 LYS HG2 1 1
10 1858 1 1 3 LYS HG3 H 7.120 4.055 -1.613 1.00 . A A . 2 LYS HG3 1 1
10 1859 1 1 3 LYS HZ1 H 10.359 2.335 -4.727 1.00 . A A . 2 LYS HZ1 1 1
10 1860 1 1 3 LYS HZ2 H 10.302 1.478 -3.270 1.00 . A A . 2 LYS HZ2 1 1
10 1861 1 1 3 LYS HZ3 H 11.113 2.960 -3.346 1.00 . A A . 2 LYS HZ3 1 1
10 1862 1 1 3 LYS N N 4.902 4.136 0.300 1.00 . A A . 2 LYS N 1 1
10 1863 1 1 3 LYS NZ N 10.289 2.427 -3.693 1.00 . A A . 2 LYS NZ 1 1
10 1864 1 1 3 LYS O O 3.110 1.144 -0.462 1.00 . A A . 2 LYS O 1 1
10 1865 1 1 4 . C C 1.920 0.600 2.113 1.00 . A A . 3 MK8 C 1 1
10 1866 1 1 4 . CA C 3.484 0.571 2.401 1.00 . A A . 3 MK8 CA 1 1
10 1867 1 1 4 . CB C 3.774 0.919 3.923 1.00 . A A . 3 MK8 CB 1 1
10 1868 1 1 4 . CB1 C 4.177 -0.788 2.065 1.00 . A A . 3 MK8 CB1 1 1
10 1869 1 1 4 . CD C 1.606 0.586 5.288 1.00 . A A . 3 MK8 CD 1 1
10 1870 1 1 4 . CE C 0.721 -0.143 6.341 1.00 . A A . 3 MK8 CE 1 1
10 1871 1 1 4 . CG C 3.044 0.121 5.066 1.00 . A A . 3 MK8 CG 1 1
10 1872 1 1 4 . HB H 3.544 1.967 4.064 1.00 . A A . 3 MK8 HB 1 1
10 1873 1 1 4 . HB1 H 4.662 -0.716 1.102 1.00 . A A . 3 MK8 HB1 1 1
10 1874 1 1 4 . HB1A H 3.437 -1.573 2.036 1.00 . A A . 3 MK8 HB1A 1 1
10 1875 1 1 4 . HB1B H 4.912 -1.014 2.824 1.00 . A A . 3 MK8 HB1B 1 1
10 1876 1 1 4 . HBA H 4.831 0.793 4.087 1.00 . A A . 3 MK8 HBA 1 1
10 1877 1 1 4 . HD H 1.105 0.507 4.333 1.00 . A A . 3 MK8 HD 1 1
10 1878 1 1 4 . HDA H 1.637 1.626 5.556 1.00 . A A . 3 MK8 HDA 1 1
10 1879 1 1 4 . HE H 0.852 0.159 7.369 1.00 . A A . 3 MK8 HE 1 1
10 1880 1 1 4 . HG H 3.600 0.245 5.985 1.00 . A A . 3 MK8 HG 1 1
10 1881 1 1 4 . HGA H 3.026 -0.925 4.801 1.00 . A A . 3 MK8 HGA 1 1
10 1882 1 1 4 . HN H 4.859 2.155 1.982 1.00 . A A . 3 MK8 HN 1 1
10 1883 1 1 4 . N N 4.176 1.606 1.550 1.00 . A A . 3 MK8 N 1 1
10 1884 1 1 4 . O O 1.285 -0.421 1.769 1.00 . A A . 3 MK8 O 1 1
10 1885 1 1 5 LEU C C -0.671 1.650 0.839 1.00 . A A . 4 LEU C 1 1
10 1886 1 1 5 LEU CA C -0.115 2.125 2.187 1.00 . A A . 4 LEU CA 1 1
10 1887 1 1 5 LEU CB C -0.398 3.660 2.374 1.00 . A A . 4 LEU CB 1 1
10 1888 1 1 5 LEU CD1 C -2.999 3.779 1.963 1.00 . A A . 4 LEU CD1 1 1
10 1889 1 1 5 LEU CD2 C -2.111 3.772 4.312 1.00 . A A . 4 LEU CD2 1 1
10 1890 1 1 5 LEU CG C -1.816 4.171 2.865 1.00 . A A . 4 LEU CG 1 1
10 1891 1 1 5 LEU H H 1.918 2.567 2.635 1.00 . A A . 4 LEU H 1 1
10 1892 1 1 5 LEU HA H -0.626 1.586 2.969 1.00 . A A . 4 LEU HA 1 1
10 1893 1 1 5 LEU HB2 H 0.324 4.029 3.086 1.00 . A A . 4 LEU HB2 1 1
10 1894 1 1 5 LEU HB3 H -0.193 4.139 1.427 1.00 . A A . 4 LEU HB3 1 1
10 1895 1 1 5 LEU HD11 H -2.864 4.210 0.985 1.00 . A A . 4 LEU HD11 1 1
10 1896 1 1 5 LEU HD12 H -3.917 4.147 2.398 1.00 . A A . 4 LEU HD12 1 1
10 1897 1 1 5 LEU HD13 H -3.046 2.702 1.883 1.00 . A A . 4 LEU HD13 1 1
10 1898 1 1 5 LEU HD21 H -3.167 3.898 4.509 1.00 . A A . 4 LEU HD21 1 1
10 1899 1 1 5 LEU HD22 H -1.544 4.402 4.981 1.00 . A A . 4 LEU HD22 1 1
10 1900 1 1 5 LEU HD23 H -1.836 2.741 4.464 1.00 . A A . 4 LEU HD23 1 1
10 1901 1 1 5 LEU HG H -1.781 5.251 2.851 1.00 . A A . 4 LEU HG 1 1
10 1902 1 1 5 LEU N N 1.336 1.837 2.332 1.00 . A A . 4 LEU N 1 1
10 1903 1 1 5 LEU O O -1.844 1.232 0.783 1.00 . A A . 4 LEU O 1 1
10 1904 1 1 6 HIS C C -0.393 -0.186 -1.713 1.00 . A A . 5 HIS C 1 1
10 1905 1 1 6 HIS CA C -0.159 1.331 -1.621 1.00 . A A . 5 HIS CA 1 1
10 1906 1 1 6 HIS CB C 0.939 1.801 -2.595 1.00 . A A . 5 HIS CB 1 1
10 1907 1 1 6 HIS CD2 C 0.356 2.849 -4.905 1.00 . A A . 5 HIS CD2 1 1
10 1908 1 1 6 HIS CE1 C -0.052 0.998 -6.005 1.00 . A A . 5 HIS CE1 1 1
10 1909 1 1 6 HIS CG C 0.534 1.815 -4.044 1.00 . A A . 5 HIS CG 1 1
10 1910 1 1 6 HIS H H 1.096 2.080 -0.081 1.00 . A A . 5 HIS H 1 1
10 1911 1 1 6 HIS HA H -1.083 1.828 -1.877 1.00 . A A . 5 HIS HA 1 1
10 1912 1 1 6 HIS HB2 H 1.231 2.807 -2.332 1.00 . A A . 5 HIS HB2 1 1
10 1913 1 1 6 HIS HB3 H 1.795 1.151 -2.498 1.00 . A A . 5 HIS HB3 1 1
10 1914 1 1 6 HIS HD1 H 0.307 -0.246 -4.419 1.00 . A A . 5 HIS HD1 1 1
10 1915 1 1 6 HIS HD2 H 0.473 3.900 -4.682 1.00 . A A . 5 HIS HD2 1 1
10 1916 1 1 6 HIS HE1 H -0.304 0.308 -6.796 1.00 . A A . 5 HIS HE1 1 1
10 1917 1 1 6 HIS HE2 H -0.136 2.814 -6.945 1.00 . A A . 5 HIS HE2 1 1
10 1918 1 1 6 HIS N N 0.194 1.731 -0.238 1.00 . A A . 5 HIS N 1 1
10 1919 1 1 6 HIS ND1 N 0.267 0.670 -4.764 1.00 . A A . 5 HIS ND1 1 1
10 1920 1 1 6 HIS NE2 N -0.006 2.311 -6.114 1.00 . A A . 5 HIS NE2 1 1
10 1921 1 1 6 HIS O O -1.375 -0.610 -2.352 1.00 . A A . 5 HIS O 1 1
10 1922 1 1 7 GLN C C -0.744 -2.967 -0.244 1.00 . A A . 6 GLN C 1 1
10 1923 1 1 7 GLN CA C 0.474 -2.467 -1.026 1.00 . A A . 6 GLN CA 1 1
10 1924 1 1 7 GLN CB C 1.753 -3.061 -0.412 1.00 . A A . 6 GLN CB 1 1
10 1925 1 1 7 GLN CD C 3.069 -4.262 -2.214 1.00 . A A . 6 GLN CD 1 1
10 1926 1 1 7 GLN CG C 2.970 -3.037 -1.329 1.00 . A A . 6 GLN CG 1 1
10 1927 1 1 7 GLN H H 1.268 -0.525 -0.590 1.00 . A A . 6 GLN H 1 1
10 1928 1 1 7 GLN HA H 0.382 -2.810 -2.046 1.00 . A A . 6 GLN HA 1 1
10 1929 1 1 7 GLN HB2 H 2.002 -2.517 0.485 1.00 . A A . 6 GLN HB2 1 1
10 1930 1 1 7 GLN HB3 H 1.555 -4.088 -0.146 1.00 . A A . 6 GLN HB3 1 1
10 1931 1 1 7 GLN HE21 H 4.855 -4.692 -1.446 1.00 . A A . 6 GLN HE21 1 1
10 1932 1 1 7 GLN HE22 H 4.274 -5.779 -2.654 1.00 . A A . 6 GLN HE22 1 1
10 1933 1 1 7 GLN HG2 H 2.912 -2.172 -1.964 1.00 . A A . 6 GLN HG2 1 1
10 1934 1 1 7 GLN HG3 H 3.862 -2.976 -0.722 1.00 . A A . 6 GLN HG3 1 1
10 1935 1 1 7 GLN N N 0.530 -0.978 -1.058 1.00 . A A . 6 GLN N 1 1
10 1936 1 1 7 GLN NE2 N 4.177 -4.985 -2.092 1.00 . A A . 6 GLN NE2 1 1
10 1937 1 1 7 GLN O O -1.363 -3.965 -0.633 1.00 . A A . 6 GLN O 1 1
10 1938 1 1 7 GLN OE1 O 2.167 -4.554 -2.997 1.00 . A A . 6 GLN OE1 1 1
10 1939 1 1 8 . C C -3.532 -2.473 0.937 1.00 . A A . 7 MK8 C 1 1
10 1940 1 1 8 . CA C -2.223 -2.535 1.800 1.00 . A A . 7 MK8 CA 1 1
10 1941 1 1 8 . CB C -2.349 -1.401 2.875 1.00 . A A . 7 MK8 CB 1 1
10 1942 1 1 8 . CB1 C -2.026 -3.912 2.525 1.00 . A A . 7 MK8 CB1 1 1
10 1943 1 1 8 . CD C -0.648 -1.785 4.749 1.00 . A A . 7 MK8 CD 1 1
10 1944 1 1 8 . CE C -0.225 -1.134 6.111 1.00 . A A . 7 MK8 CE 1 1
10 1945 1 1 8 . CG C -1.058 -0.895 3.577 1.00 . A A . 7 MK8 CG 1 1
10 1946 1 1 8 . HB H -3.026 -1.748 3.642 1.00 . A A . 7 MK8 HB 1 1
10 1947 1 1 8 . HB1 H -0.974 -4.076 2.711 1.00 . A A . 7 MK8 HB1 1 1
10 1948 1 1 8 . HB1A H -2.408 -4.707 1.902 1.00 . A A . 7 MK8 HB1A 1 1
10 1949 1 1 8 . HB1B H -2.561 -3.904 3.464 1.00 . A A . 7 MK8 HB1B 1 1
10 1950 1 1 8 . HBA H -2.797 -0.546 2.397 1.00 . A A . 7 MK8 HBA 1 1
10 1951 1 1 8 . HD H 0.175 -2.403 4.411 1.00 . A A . 7 MK8 HD 1 1
10 1952 1 1 8 . HDA H -1.479 -2.431 4.961 1.00 . A A . 7 MK8 HDA 1 1
10 1953 1 1 8 . HE H -0.733 -1.507 6.987 1.00 . A A . 7 MK8 HE 1 1
10 1954 1 1 8 . HG H -1.224 0.109 3.938 1.00 . A A . 7 MK8 HG 1 1
10 1955 1 1 8 . HGA H -0.260 -0.886 2.862 1.00 . A A . 7 MK8 HGA 1 1
10 1956 1 1 8 . HN H -0.536 -1.471 1.080 1.00 . A A . 7 MK8 HN 1 1
10 1957 1 1 8 . N N -1.077 -2.238 0.880 1.00 . A A . 7 MK8 N 1 1
10 1958 1 1 8 . O O -4.526 -3.216 1.159 1.00 . A A . 7 MK8 O 1 1
10 1959 1 1 9 LEU C C -4.899 -2.418 -1.892 1.00 . A A . 8 LEU C 1 1
10 1960 1 1 9 LEU CA C -4.602 -1.215 -0.987 1.00 . A A . 8 LEU CA 1 1
10 1961 1 1 9 LEU CB C -4.243 0.029 -1.872 1.00 . A A . 8 LEU CB 1 1
10 1962 1 1 9 LEU CD1 C -6.412 0.275 -3.355 1.00 . A A . 8 LEU CD1 1 1
10 1963 1 1 9 LEU CD2 C -6.073 1.770 -1.343 1.00 . A A . 8 LEU CD2 1 1
10 1964 1 1 9 LEU CG C -5.375 0.973 -2.450 1.00 . A A . 8 LEU CG 1 1
10 1965 1 1 9 LEU H H -2.683 -0.958 -0.119 1.00 . A A . 8 LEU H 1 1
10 1966 1 1 9 LEU HA H -5.482 -0.988 -0.404 1.00 . A A . 8 LEU HA 1 1
10 1967 1 1 9 LEU HB2 H -3.591 0.656 -1.284 1.00 . A A . 8 LEU HB2 1 1
10 1968 1 1 9 LEU HB3 H -3.669 -0.336 -2.711 1.00 . A A . 8 LEU HB3 1 1
10 1969 1 1 9 LEU HD11 H -6.842 -0.564 -2.828 1.00 . A A . 8 LEU HD11 1 1
10 1970 1 1 9 LEU HD12 H -5.930 -0.074 -4.256 1.00 . A A . 8 LEU HD12 1 1
10 1971 1 1 9 LEU HD13 H -7.193 0.976 -3.614 1.00 . A A . 8 LEU HD13 1 1
10 1972 1 1 9 LEU HD21 H -6.956 2.246 -1.742 1.00 . A A . 8 LEU HD21 1 1
10 1973 1 1 9 LEU HD22 H -5.399 2.526 -0.965 1.00 . A A . 8 LEU HD22 1 1
10 1974 1 1 9 LEU HD23 H -6.352 1.104 -0.541 1.00 . A A . 8 LEU HD23 1 1
10 1975 1 1 9 LEU HG H -4.881 1.699 -3.081 1.00 . A A . 8 LEU HG 1 1
10 1976 1 1 9 LEU N N -3.494 -1.505 -0.049 1.00 . A A . 8 LEU N 1 1
10 1977 1 1 9 LEU O O -6.071 -2.653 -2.237 1.00 . A A . 8 LEU O 1 1
10 1978 1 1 10 GLN C C -4.222 -5.638 -2.510 1.00 . A A . 9 GLN C 1 1
10 1979 1 1 10 GLN CA C -3.846 -4.315 -3.202 1.00 . A A . 9 GLN CA 1 1
10 1980 1 1 10 GLN CB C -2.507 -4.478 -3.950 1.00 . A A . 9 GLN CB 1 1
10 1981 1 1 10 GLN CD C -3.226 -3.648 -6.275 1.00 . A A . 9 GLN CD 1 1
10 1982 1 1 10 GLN CG C -2.281 -3.472 -5.086 1.00 . A A . 9 GLN CG 1 1
10 1983 1 1 10 GLN H H -2.912 -2.840 -1.978 1.00 . A A . 9 GLN H 1 1
10 1984 1 1 10 GLN HA H -4.604 -4.102 -3.941 1.00 . A A . 9 GLN HA 1 1
10 1985 1 1 10 GLN HB2 H -1.701 -4.360 -3.240 1.00 . A A . 9 GLN HB2 1 1
10 1986 1 1 10 GLN HB3 H -2.459 -5.475 -4.365 1.00 . A A . 9 GLN HB3 1 1
10 1987 1 1 10 GLN HE21 H -1.683 -3.837 -7.520 1.00 . A A . 9 GLN HE21 1 1
10 1988 1 1 10 GLN HE22 H -3.247 -3.936 -8.248 1.00 . A A . 9 GLN HE22 1 1
10 1989 1 1 10 GLN HG2 H -2.413 -2.477 -4.695 1.00 . A A . 9 GLN HG2 1 1
10 1990 1 1 10 GLN HG3 H -1.265 -3.581 -5.441 1.00 . A A . 9 GLN HG3 1 1
10 1991 1 1 10 GLN N N -3.793 -3.142 -2.292 1.00 . A A . 9 GLN N 1 1
10 1992 1 1 10 GLN NE2 N -2.661 -3.827 -7.468 1.00 . A A . 9 GLN NE2 1 1
10 1993 1 1 10 GLN O O -5.166 -6.305 -2.976 1.00 . A A . 9 GLN O 1 1
10 1994 1 1 10 GLN OE1 O -4.446 -3.610 -6.122 1.00 . A A . 9 GLN OE1 1 1
10 1995 1 1 11 ASP C C -4.919 -7.414 0.110 1.00 . A A . 10 ASP C 1 1
10 1996 1 1 11 ASP CA C -3.602 -7.312 -0.703 1.00 . A A . 10 ASP CA 1 1
10 1997 1 1 11 ASP CB C -2.362 -7.586 0.186 1.00 . A A . 10 ASP CB 1 1
10 1998 1 1 11 ASP CG C -2.359 -8.976 0.795 1.00 . A A . 10 ASP CG 1 1
10 1999 1 1 11 ASP H H -2.675 -5.451 -1.191 1.00 . A A . 10 ASP H 1 1
10 2000 1 1 11 ASP HA H -3.633 -8.090 -1.455 1.00 . A A . 10 ASP HA 1 1
10 2001 1 1 11 ASP HB2 H -1.471 -7.495 -0.416 1.00 . A A . 10 ASP HB2 1 1
10 2002 1 1 11 ASP HB3 H -2.315 -6.866 0.989 1.00 . A A . 10 ASP HB3 1 1
10 2003 1 1 11 ASP N N -3.429 -6.029 -1.441 1.00 . A A . 10 ASP N 1 1
10 2004 1 1 11 ASP O O -5.161 -8.490 0.692 1.00 . A A . 10 ASP O 1 1
10 2005 1 1 11 ASP OD1 O -2.985 -9.170 1.856 1.00 . A A . 10 ASP OD1 1 1
10 2006 1 1 11 ASP OD2 O -1.731 -9.875 0.202 1.00 . A A . 10 ASP OD2 1 1
10 2007 1 1 12 SER C C -8.210 -6.987 -0.038 1.00 . A A . 11 SER C 1 1
10 2008 1 1 12 SER CA C -7.096 -6.293 0.832 1.00 . A A . 11 SER CA 1 1
10 2009 1 1 12 SER CB C -7.419 -4.851 1.300 1.00 . A A . 11 SER CB 1 1
10 2010 1 1 12 SER H H -5.525 -5.509 -0.395 1.00 . A A . 11 SER H 1 1
10 2011 1 1 12 SER HA H -6.966 -6.908 1.719 1.00 . A A . 11 SER HA 1 1
10 2012 1 1 12 SER HB2 H -7.367 -4.182 0.458 1.00 . A A . 11 SER HB2 1 1
10 2013 1 1 12 SER HB3 H -8.411 -4.824 1.725 1.00 . A A . 11 SER HB3 1 1
10 2014 1 1 12 SER HG H -6.921 -4.413 3.143 1.00 . A A . 11 SER HG 1 1
10 2015 1 1 12 SER N N -5.783 -6.311 0.114 1.00 . A A . 11 SER N 1 1
10 2016 1 1 12 SER O O -8.133 -8.203 -0.214 1.00 . A A . 11 SER O 1 1
10 2017 1 1 12 SER OG O -6.494 -4.422 2.284 1.00 . A A . 11 SER OG 1 1
10 2018 1 1 13 NH2 HN1 H -9.356 -5.340 -0.340 1.00 . A A . 12 NH2 HN1 1 1
10 2019 1 1 13 NH2 HN2 H -9.922 -6.793 -1.078 1.00 . A A . 12 NH2 HN2 1 1
10 2020 1 1 13 NH2 N N -9.273 -6.298 -0.533 1.00 . A A . 12 NH2 N 1 1
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