Ticket #133: carpaine.pdb

File carpaine.pdb, 8.3 KB (added by Tom Goddard, 10 years ago)
Line 
1HETATM 1 C LIG1 1 -2.238 0.026 0.779 1.00 0.00 C
2HETATM 2 C LIG1 1 -3.752 0.049 1.014 1.00 0.00 C
3HETATM 3 C LIG1 1 -4.453 0.841 -0.077 1.00 0.00 C
4HETATM 4 C LIG1 1 -4.798 0.028 -1.318 1.00 0.00 C
5HETATM 5 C LIG1 1 -4.260 -1.399 -1.218 1.00 0.00 C
6HETATM 6 C LIG1 1 -4.765 -2.020 0.080 1.00 0.00 C
7HETATM 7 N LIG1 1 -4.268 -1.283 1.222 1.00 0.00 N
8HETATM 8 C LIG1 1 -4.397 -3.498 0.181 1.00 0.00 C
9HETATM 9 C LIG1 1 -3.212 -3.866 -0.702 1.00 0.00 C
10HETATM 10 C LIG1 1 -2.059 -4.377 0.169 1.00 0.00 C
11HETATM 11 C LIG1 1 -0.745 -4.234 -0.601 1.00 0.00 C
12HETATM 12 C LIG1 1 0.394 -4.854 0.210 1.00 0.00 C
13HETATM 13 C LIG1 1 1.717 -4.647 -0.530 1.00 0.00 C
14HETATM 14 C LIG1 1 2.813 -4.280 0.471 1.00 0.00 C
15HETATM 15 C LIG1 1 3.610 -3.115 -0.062 1.00 0.00 C
16HETATM 16 O LIG1 1 4.454 -3.301 -0.906 1.00 0.00 O
17HETATM 17 O LIG1 1 3.378 -1.880 0.407 1.00 0.00 O
18HETATM 18 C LIG1 1 4.172 -0.789 -0.127 1.00 0.00 C
19HETATM 19 C LIG1 1 3.293 0.088 -1.020 1.00 0.00 C
20HETATM 20 C LIG1 1 4.113 1.270 -1.540 1.00 0.00 C
21HETATM 21 C LIG1 1 4.675 2.059 -0.355 1.00 0.00 C
22HETATM 22 C LIG1 1 4.142 3.495 -0.406 1.00 0.00 C
23HETATM 23 C LIG1 1 2.684 3.515 0.055 1.00 0.00 C
24HETATM 24 C LIG1 1 1.927 4.617 -0.691 1.00 0.00 C
25HETATM 25 C LIG1 1 0.794 5.145 0.191 1.00 0.00 C
26HETATM 26 C LIG1 1 -0.529 5.070 -0.572 1.00 0.00 C
27HETATM 27 C LIG1 1 -1.377 3.924 -0.015 1.00 0.00 C
28HETATM 28 C LIG1 1 -2.859 4.285 -0.131 1.00 0.00 C
29HETATM 29 C LIG1 1 -3.700 3.090 0.239 1.00 0.00 C
30HETATM 30 O LIG1 1 -4.453 3.156 1.181 1.00 0.00 O
31HETATM 31 O LIG1 1 -3.607 1.960 -0.475 1.00 0.00 O
32HETATM 32 N LIG1 1 4.283 1.429 0.896 1.00 0.00 N
33HETATM 33 C LIG1 1 4.722 0.047 1.031 1.00 0.00 C
34HETATM 34 C LIG1 1 4.221 -0.532 2.357 1.00 0.00 C
35HETATM 35 H LIG1 1 -1.855 1.047 0.782 1.00 0.00 H
36HETATM 36 H LIG1 1 -1.756 -0.546 1.570 1.00 0.00 H
37HETATM 37 H LIG1 1 -2.027 -0.437 -0.185 1.00 0.00 H
38HETATM 38 H LIG1 1 -3.905 0.613 1.965 1.00 0.00 H
39HETATM 39 H LIG1 1 -5.385 1.258 0.333 1.00 0.00 H
40HETATM 40 H LIG1 1 -4.373 0.511 -2.204 1.00 0.00 H
41HETATM 41 H LIG1 1 -5.886 -0.009 -1.439 1.00 0.00 H
42HETATM 42 H LIG1 1 -3.174 -1.376 -1.241 1.00 0.00 H
43HETATM 43 H LIG1 1 -4.624 -1.983 -2.067 1.00 0.00 H
44HETATM 44 H LIG1 1 -5.869 -1.952 0.074 1.00 0.00 H
45HETATM 45 H LIG1 1 -4.658 -1.494 2.101 1.00 0.00 H
46HETATM 46 H LIG1 1 -5.263 -4.103 -0.108 1.00 0.00 H
47HETATM 47 H LIG1 1 -4.157 -3.735 1.224 1.00 0.00 H
48HETATM 48 H LIG1 1 -2.867 -3.024 -1.289 1.00 0.00 H
49HETATM 49 H LIG1 1 -3.513 -4.667 -1.387 1.00 0.00 H
50HETATM 50 H LIG1 1 -2.228 -5.426 0.411 1.00 0.00 H
51HETATM 51 H LIG1 1 -2.010 -3.792 1.086 1.00 0.00 H
52HETATM 52 H LIG1 1 -0.828 -4.745 -1.560 1.00 0.00 H
53HETATM 53 H LIG1 1 -0.537 -3.177 -0.770 1.00 0.00 H
54HETATM 54 H LIG1 1 0.443 -4.378 1.189 1.00 0.00 H
55HETATM 55 H LIG1 1 0.211 -5.922 0.334 1.00 0.00 H
56HETATM 56 H LIG1 1 1.604 -3.842 -1.257 1.00 0.00 H
57HETATM 57 H LIG1 1 1.991 -5.567 -1.048 1.00 0.00 H
58HETATM 58 H LIG1 1 3.474 -5.134 0.616 1.00 0.00 H
59HETATM 59 H LIG1 1 2.363 -4.003 1.423 1.00 0.00 H
60HETATM 60 H LIG1 1 5.001 -1.186 -0.711 1.00 0.00 H
61HETATM 61 H LIG1 1 2.442 0.456 -0.448 1.00 0.00 H
62HETATM 62 H LIG1 1 2.932 -0.501 -1.865 1.00 0.00 H
63HETATM 63 H LIG1 1 3.476 1.920 -2.140 1.00 0.00 H
64HETATM 64 H LIG1 1 4.936 0.901 -2.153 1.00 0.00 H
65HETATM 65 H LIG1 1 5.766 2.085 -0.432 1.00 0.00 H
66HETATM 66 H LIG1 1 4.207 3.870 -1.427 1.00 0.00 H
67HETATM 67 H LIG1 1 4.741 4.126 0.251 1.00 0.00 H
68HETATM 68 H LIG1 1 2.646 3.711 1.127 1.00 0.00 H
69HETATM 69 H LIG1 1 2.220 2.552 -0.155 1.00 0.00 H
70HETATM 70 H LIG1 1 1.515 4.210 -1.614 1.00 0.00 H
71HETATM 71 H LIG1 1 2.613 5.431 -0.927 1.00 0.00 H
72HETATM 72 H LIG1 1 0.999 6.182 0.461 1.00 0.00 H
73HETATM 73 H LIG1 1 0.728 4.543 1.097 1.00 0.00 H
74HETATM 74 H LIG1 1 -0.333 4.896 -1.629 1.00 0.00 H
75HETATM 75 H LIG1 1 -1.069 6.010 -0.454 1.00 0.00 H
76HETATM 76 H LIG1 1 -1.125 3.759 1.032 1.00 0.00 H
77HETATM 77 H LIG1 1 -1.178 3.016 -0.585 1.00 0.00 H
78HETATM 78 H LIG1 1 -3.082 4.579 -1.156 1.00 0.00 H
79HETATM 79 H LIG1 1 -3.086 5.111 0.543 1.00 0.00 H
80HETATM 80 H LIG1 1 4.189 1.976 1.695 1.00 0.00 H
81HETATM 81 H LIG1 1 5.814 0.001 1.014 1.00 0.00 H
82HETATM 82 H LIG1 1 4.564 -1.562 2.456 1.00 0.00 H
83HETATM 83 H LIG1 1 4.611 0.061 3.184 1.00 0.00 H
84HETATM 84 H LIG1 1 3.132 -0.509 2.376 1.00 0.00 H
85CONECT 1 2 35 36 37
86CONECT 2 1 3 7 38
87CONECT 3 2 4 31 39
88CONECT 4 3 5 40 41
89CONECT 5 4 6 42 43
90CONECT 6 5 7 8 44
91CONECT 8 6 9 46 47
92CONECT 9 8 10 48 49
93CONECT 10 9 11 50 51
94CONECT 11 10 12 52 53
95CONECT 12 11 13 54 55
96CONECT 13 12 14 57 56
97CONECT 14 13 15 58 59
98CONECT 15 14 16 17
99CONECT 18 17 19 33 60
100CONECT 19 18 20 61 62
101CONECT 20 19 21 63 64
102CONECT 21 20 22 32 65
103CONECT 22 21 23 66 67
104CONECT 23 22 24 68 69
105CONECT 24 23 25 70 71
106CONECT 25 24 26 72 73
107CONECT 26 25 27 74 75
108CONECT 27 26 28 76 77
109CONECT 28 27 29 78 79
110CONECT 29 28 30 31
111CONECT 33 18 32 34 81
112CONECT 34 33 82 83 84
113CONECT 35 1
114CONECT 36 1
115CONECT 37 1
116CONECT 38 2
117CONECT 39 3
118CONECT 40 4
119CONECT 41 4
120CONECT 42 5
121CONECT 43 5
122CONECT 44 6
123CONECT 45 7
124CONECT 46 8
125CONECT 47 8
126CONECT 48 9
127CONECT 49 9
128CONECT 50 10
129CONECT 51 10
130CONECT 52 11
131CONECT 53 11
132CONECT 54 12
133CONECT 55 12
134CONECT 56 13
135CONECT 57 13
136CONECT 58 14
137CONECT 59 14
138CONECT 60 18
139CONECT 61 19
140CONECT 62 19
141CONECT 63 20
142CONECT 64 20
143CONECT 65 21
144CONECT 66 22
145CONECT 67 22
146CONECT 68 23
147CONECT 69 23
148CONECT 70 24
149CONECT 71 24
150CONECT 72 25
151CONECT 73 25
152CONECT 74 26
153CONECT 75 26
154CONECT 76 27
155CONECT 77 27
156CONECT 78 28
157CONECT 79 28
158CONECT 80 32
159CONECT 81 33
160CONECT 82 34
161CONECT 83 34
162CONECT 84 34
163CONECT 7 2 6 45
164CONECT 32 21 33 80
165CONECT 16 15
166CONECT 17 18 15
167CONECT 30 29
168CONECT 31 3 29
169END