-
Notifications
You must be signed in to change notification settings - Fork 24
/
Copy path269.lib
166 lines (166 loc) · 3.65 KB
/
269.lib
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
!!index array str
"269"
!entry.269.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg
"CAF" "ca" 0 1 131072 1 6 -0.098500
"CAD" "ca" 0 1 131072 2 6 -0.107500
"CAC" "ca" 0 1 131072 3 6 -0.104000
"CAE" "ca" 0 1 131072 4 6 -0.107500
"CAG" "ca" 0 1 131072 5 6 -0.098500
"CAJ" "ca" 0 1 131072 6 6 -0.114300
"CAK" "c3" 0 1 131072 7 6 0.216600
"OAA" "oh" 0 1 131072 8 8 -0.650000
"CAI" "c3" 0 1 131072 9 6 -0.124400
"CAH" "c3" 0 1 131072 10 6 0.134600
"CLAB" "cl" 0 1 131072 11 6 -0.293000
"HAF" "ha" 0 1 131072 12 1 0.109000
"HAD" "ha" 0 1 131072 13 1 0.114500
"HAC" "ha" 0 1 131072 14 1 0.114000
"HAE" "ha" 0 1 131072 15 1 0.114500
"HAG" "ha" 0 1 131072 16 1 0.109000
"HAK" "h1" 0 1 131072 17 1 0.077700
"HAA" "ho" 0 1 131072 18 1 0.442000
"HAI1" "hc" 0 1 131072 19 1 0.064200
"HAI2" "hc" 0 1 131072 20 1 0.064200
"HAH1" "h1" 0 1 131072 21 1 0.068700
"HAH2" "h1" 0 1 131072 22 1 0.068700
!entry.269.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg
"CAF" "ca" 0 -1 0.0
"CAD" "ca" 0 -1 0.0
"CAC" "ca" 0 -1 0.0
"CAE" "ca" 0 -1 0.0
"CAG" "ca" 0 -1 0.0
"CAJ" "ca" 0 -1 0.0
"CAK" "c3" 0 -1 0.0
"OAA" "oh" 0 -1 0.0
"CAI" "c3" 0 -1 0.0
"CAH" "c3" 0 -1 0.0
"CLAB" "cl" 0 -1 0.0
"HAF" "ha" 0 -1 0.0
"HAD" "ha" 0 -1 0.0
"HAC" "ha" 0 -1 0.0
"HAE" "ha" 0 -1 0.0
"HAG" "ha" 0 -1 0.0
"HAK" "h1" 0 -1 0.0
"HAA" "ho" 0 -1 0.0
"HAI1" "hc" 0 -1 0.0
"HAI2" "hc" 0 -1 0.0
"HAH1" "h1" 0 -1 0.0
"HAH2" "h1" 0 -1 0.0
!entry.269.unit.boundbox array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.269.unit.childsequence single int
2
!entry.269.unit.connect array int
0
0
!entry.269.unit.connectivity table int atom1x int atom2x int flags
1 2 4
1 6 4
1 12 1
2 3 4
2 13 1
3 4 4
3 14 1
4 5 4
4 15 1
5 6 4
5 16 1
6 7 1
7 8 1
7 9 1
7 17 1
8 18 1
9 10 1
9 19 1
9 20 1
10 11 1
10 21 1
10 22 1
!entry.269.unit.hierarchy table str abovetype int abovex str belowtype int belowx
"U" 0 "R" 1
"R" 1 "A" 1
"R" 1 "A" 2
"R" 1 "A" 3
"R" 1 "A" 4
"R" 1 "A" 5
"R" 1 "A" 6
"R" 1 "A" 7
"R" 1 "A" 8
"R" 1 "A" 9
"R" 1 "A" 10
"R" 1 "A" 11
"R" 1 "A" 12
"R" 1 "A" 13
"R" 1 "A" 14
"R" 1 "A" 15
"R" 1 "A" 16
"R" 1 "A" 17
"R" 1 "A" 18
"R" 1 "A" 19
"R" 1 "A" 20
"R" 1 "A" 21
"R" 1 "A" 22
!entry.269.unit.name single str
"269"
!entry.269.unit.positions table dbl x dbl y dbl z
-1.960000 0.696000 -1.066000
-3.209000 1.163000 -0.677000
-3.778000 0.722000 0.510000
-3.089000 -0.186000 1.303000
-1.840000 -0.650000 0.913000
-1.263000 -0.214000 -0.277000
0.114000 -0.682000 -0.697000
0.305000 -2.066000 -0.501000
1.187000 0.154000 0.009000
2.583000 -0.224000 -0.441000
3.808000 0.826000 0.364000
-1.525000 1.039000 -1.997000
-3.739000 1.868000 -1.305000
-4.753000 1.080000 0.812000
-3.525000 -0.537000 2.230000
-1.324000 -1.357000 1.553000
0.211000 -0.524000 -1.775000
0.414000 -2.242000 0.440000
1.007000 1.208000 -0.208000
1.096000 0.032000 1.093000
2.837000 -1.249000 -0.184000
2.709000 -0.086000 -1.514000
!entry.269.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x
0 0 0 0 0 0
!entry.269.unit.residues table str name int seq int childseq int startatomx str restype int imagingx
"269" 1 23 1 "?" 0
!entry.269.unit.residuesPdbSequenceNumber array int
0
!entry.269.unit.solventcap array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.269.unit.velocities table dbl x dbl y dbl z
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0