-
Notifications
You must be signed in to change notification settings - Fork 11
/
Copy pathbuild_atom.dat
219 lines (219 loc) · 5.39 KB
/
build_atom.dat
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
ALA
5
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5C 3 0.3800 3
6O 4 -0.3800 4
ARG
11
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5CG 16 0.0000 6
6CD 12 0.0000 7
7NE 12 0.0000 8
9CZ 10 0.0000 9
10NH1 10 0.0000 10
13NH2 10 0.0000 11
16C 3 0.3800 3
17O 4 -0.3800 4
ASN
8
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5CG 11 0.0000 6
6OD1 11 0.0000 7
7ND2 11 0.0000 8
10C 3 0.3800 3
11O 4 -0.3800 4
ASP
8
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5CG 9 0.0000 6
6OD1 9 0.0000 7
7OD2 9 0.0000 8
8C 3 0.3800 3
9O 4 -0.3800 4
CYS
6
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5SG 18 0.0000 6
7C 3 0.3800 3
8O 4 -0.3800 4
GLN
9
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5CG 16 0.0000 6
6CD 11 0.0000 7
7OE1 11 0.0000 8
8NE2 11 0.0000 9
11C 3 0.3800 3
12O 4 -0.3800 4
GLU
9
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5CG 16 0.0000 6
6CD 9 0.0000 7
7OE1 9 0.0000 8
8OE2 9 0.0000 9
9C 3 0.3800 3
10O 4 -0.3800 4
GLY
4
1N 1 -0.2800 1
3CA 5 0.0000 2
4C 3 0.3800 3
5O 4 -0.3800 4
HIS
10
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5CG 14 0.0000 6
6ND1 14 0.0000 7
7CD2 14 0.0000 8
8CE1 14 0.0000 9
9NE2 14 0.0000 10
11C 3 0.3800 3
12O 4 -0.3800 4
ILE
9
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 2 0.0000 5
5CG1 16 0.0000 6
6CG2 17 0.0000 7
7CD 17 0.0000 8
7CD1 17 0.0000 8
8C 3 0.3800 3
9O 4 -0.3800 4
LEU
8
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5CG 16 0.0000 6
6CD1 17 0.0000 7
7CD2 17 0.0000 8
8C 3 0.3800 3
9O 4 -0.3800 4
LYS
9
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5CG 16 0.0000 6
6CD 8 0.0000 7
7CE 7 0.0000 8
8NZ 7 0.0000 9
12C 3 0.3800 3
13O 4 -0.3800 4
LYSH
9
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5CG 16 0.0000 6
6CD 9 0.0000 7
7CE 7 0.0000 8
8NZ 8 0.0000 9
12C 3 0.3800 3
13O 4 -0.3800 4
MET
8
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5CG 16 0.0000 6
6SD 16 0.0000 7
7CE 17 0.0000 8
8C 3 0.3800 3
9O 4 -0.3800 4
PHE
11
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5CG 16 0.0000 6
6CD1 16 0.0000 7
7CD2 16 0.0000 8
8CE1 16 0.0000 9
9CE2 16 0.0000 10
10CZ 16 0.0000 11
11C 3 0.3800 3
12O 4 -0.3800 4
PRO
7
1N 1 0.0000 1
2CA 2 0.0000 3
3CB 6 0.0000 6
4CG 6 0.0000 7
5CD 6 0.0000 2
6C 3 0.3800 4
7O 4 -0.3800 5
SER
6
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 13 0.0000 5
5OG 13 0.0000 6
7C 3 0.3800 3
8O 4 -0.3800 4
THR
7
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5OG1 13 0.0000 6
7CG2 16 0.0000 7
8C 3 0.3800 3
9O 4 -0.3800 4
TRP
14
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5CG 16 0.0000 6
6CD1 16 0.0000 7
7CD2 16 0.0000 8
8NE1 14 0.0000 9
10CE2 16 0.0000 10
11CE3 16 0.0000 11
12CZ2 16 0.0000 12
13CZ3 16 0.0000 13
14CH2 16 0.0000 14
15C 3 0.3800 3
16O 4 -0.3800 4
TYR
12
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5CG 16 0.0000 6
6CD1 16 0.0000 7
7CD2 16 0.0000 8
8CE1 15 0.0000 9
9CE2 15 0.0000 10
10CZ 15 0.0000 11
11OH 13 0.0000 12
13C 3 0.3800 3
14O 4 -0.3800 4
VAL
7
1N 1 -0.2800 1
3CA 2 0.0000 2
4CB 6 0.0000 5
5CG1 17 0.0000 6
6CG2 17 0.0000 7
7C 3 0.3800 3
8O 4 -0.3800 4