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Ticket #134: carpaine_fix.pdb

File carpaine_fix.pdb, 8.3 KB (added by Tom Goddard, 10 years ago)

Line
1	HETATM 1 C1 LIG1 1 -2.238 0.026 0.779 1.00 0.00 C
2	HETATM 2 C2 LIG1 1 -3.752 0.049 1.014 1.00 0.00 C
3	HETATM 3 C3 LIG1 1 -4.453 0.841 -0.077 1.00 0.00 C
4	HETATM 4 C4 LIG1 1 -4.798 0.028 -1.318 1.00 0.00 C
5	HETATM 5 C5 LIG1 1 -4.260 -1.399 -1.218 1.00 0.00 C
6	HETATM 6 C6 LIG1 1 -4.765 -2.020 0.080 1.00 0.00 C
7	HETATM 7 N7 LIG1 1 -4.268 -1.283 1.222 1.00 0.00 N
8	HETATM 8 C8 LIG1 1 -4.397 -3.498 0.181 1.00 0.00 C
9	HETATM 9 C9 LIG1 1 -3.212 -3.866 -0.702 1.00 0.00 C
10	HETATM 10 C10 LIG1 1 -2.059 -4.377 0.169 1.00 0.00 C
11	HETATM 11 C11 LIG1 1 -0.745 -4.234 -0.601 1.00 0.00 C
12	HETATM 12 C12 LIG1 1 0.394 -4.854 0.210 1.00 0.00 C
13	HETATM 13 C13 LIG1 1 1.717 -4.647 -0.530 1.00 0.00 C
14	HETATM 14 C14 LIG1 1 2.813 -4.280 0.471 1.00 0.00 C
15	HETATM 15 C15 LIG1 1 3.610 -3.115 -0.062 1.00 0.00 C
16	HETATM 16 O16 LIG1 1 4.454 -3.301 -0.906 1.00 0.00 O
17	HETATM 17 O17 LIG1 1 3.378 -1.880 0.407 1.00 0.00 O
18	HETATM 18 C18 LIG1 1 4.172 -0.789 -0.127 1.00 0.00 C
19	HETATM 19 C19 LIG1 1 3.293 0.088 -1.020 1.00 0.00 C
20	HETATM 20 C20 LIG1 1 4.113 1.270 -1.540 1.00 0.00 C
21	HETATM 21 C21 LIG1 1 4.675 2.059 -0.355 1.00 0.00 C
22	HETATM 22 C22 LIG1 1 4.142 3.495 -0.406 1.00 0.00 C
23	HETATM 23 C23 LIG1 1 2.684 3.515 0.055 1.00 0.00 C
24	HETATM 24 C24 LIG1 1 1.927 4.617 -0.691 1.00 0.00 C
25	HETATM 25 C25 LIG1 1 0.794 5.145 0.191 1.00 0.00 C
26	HETATM 26 C26 LIG1 1 -0.529 5.070 -0.572 1.00 0.00 C
27	HETATM 27 C27 LIG1 1 -1.377 3.924 -0.015 1.00 0.00 C
28	HETATM 28 C28 LIG1 1 -2.859 4.285 -0.131 1.00 0.00 C
29	HETATM 29 C29 LIG1 1 -3.700 3.090 0.239 1.00 0.00 C
30	HETATM 30 O30 LIG1 1 -4.453 3.156 1.181 1.00 0.00 O
31	HETATM 31 O31 LIG1 1 -3.607 1.960 -0.475 1.00 0.00 O
32	HETATM 32 N32 LIG1 1 4.283 1.429 0.896 1.00 0.00 N
33	HETATM 33 C33 LIG1 1 4.722 0.047 1.031 1.00 0.00 C
34	HETATM 34 C34 LIG1 1 4.221 -0.532 2.357 1.00 0.00 C
35	HETATM 35 H35 LIG1 1 -1.855 1.047 0.782 1.00 0.00 H
36	HETATM 36 H36 LIG1 1 -1.756 -0.546 1.570 1.00 0.00 H
37	HETATM 37 H37 LIG1 1 -2.027 -0.437 -0.185 1.00 0.00 H
38	HETATM 38 H38 LIG1 1 -3.905 0.613 1.965 1.00 0.00 H
39	HETATM 39 H39 LIG1 1 -5.385 1.258 0.333 1.00 0.00 H
40	HETATM 40 H40 LIG1 1 -4.373 0.511 -2.204 1.00 0.00 H
41	HETATM 41 H41 LIG1 1 -5.886 -0.009 -1.439 1.00 0.00 H
42	HETATM 42 H42 LIG1 1 -3.174 -1.376 -1.241 1.00 0.00 H
43	HETATM 43 H43 LIG1 1 -4.624 -1.983 -2.067 1.00 0.00 H
44	HETATM 44 H44 LIG1 1 -5.869 -1.952 0.074 1.00 0.00 H
45	HETATM 45 H45 LIG1 1 -4.658 -1.494 2.101 1.00 0.00 H
46	HETATM 46 H46 LIG1 1 -5.263 -4.103 -0.108 1.00 0.00 H
47	HETATM 47 H47 LIG1 1 -4.157 -3.735 1.224 1.00 0.00 H
48	HETATM 48 H48 LIG1 1 -2.867 -3.024 -1.289 1.00 0.00 H
49	HETATM 49 H49 LIG1 1 -3.513 -4.667 -1.387 1.00 0.00 H
50	HETATM 50 H50 LIG1 1 -2.228 -5.426 0.411 1.00 0.00 H
51	HETATM 51 H51 LIG1 1 -2.010 -3.792 1.086 1.00 0.00 H
52	HETATM 52 H52 LIG1 1 -0.828 -4.745 -1.560 1.00 0.00 H
53	HETATM 53 H53 LIG1 1 -0.537 -3.177 -0.770 1.00 0.00 H
54	HETATM 54 H54 LIG1 1 0.443 -4.378 1.189 1.00 0.00 H
55	HETATM 55 H55 LIG1 1 0.211 -5.922 0.334 1.00 0.00 H
56	HETATM 56 H56 LIG1 1 1.604 -3.842 -1.257 1.00 0.00 H
57	HETATM 57 H57 LIG1 1 1.991 -5.567 -1.048 1.00 0.00 H
58	HETATM 58 H58 LIG1 1 3.474 -5.134 0.616 1.00 0.00 H
59	HETATM 59 H59 LIG1 1 2.363 -4.003 1.423 1.00 0.00 H
60	HETATM 60 H60 LIG1 1 5.001 -1.186 -0.711 1.00 0.00 H
61	HETATM 61 H61 LIG1 1 2.442 0.456 -0.448 1.00 0.00 H
62	HETATM 62 H62 LIG1 1 2.932 -0.501 -1.865 1.00 0.00 H
63	HETATM 63 H63 LIG1 1 3.476 1.920 -2.140 1.00 0.00 H
64	HETATM 64 H64 LIG1 1 4.936 0.901 -2.153 1.00 0.00 H
65	HETATM 65 H65 LIG1 1 5.766 2.085 -0.432 1.00 0.00 H
66	HETATM 66 H66 LIG1 1 4.207 3.870 -1.427 1.00 0.00 H
67	HETATM 67 H67 LIG1 1 4.741 4.126 0.251 1.00 0.00 H
68	HETATM 68 H68 LIG1 1 2.646 3.711 1.127 1.00 0.00 H
69	HETATM 69 H69 LIG1 1 2.220 2.552 -0.155 1.00 0.00 H
70	HETATM 70 H70 LIG1 1 1.515 4.210 -1.614 1.00 0.00 H
71	HETATM 71 H71 LIG1 1 2.613 5.431 -0.927 1.00 0.00 H
72	HETATM 72 H72 LIG1 1 0.999 6.182 0.461 1.00 0.00 H
73	HETATM 73 H73 LIG1 1 0.728 4.543 1.097 1.00 0.00 H
74	HETATM 74 H74 LIG1 1 -0.333 4.896 -1.629 1.00 0.00 H
75	HETATM 75 H75 LIG1 1 -1.069 6.010 -0.454 1.00 0.00 H
76	HETATM 76 H76 LIG1 1 -1.125 3.759 1.032 1.00 0.00 H
77	HETATM 77 H77 LIG1 1 -1.178 3.016 -0.585 1.00 0.00 H
78	HETATM 78 H78 LIG1 1 -3.082 4.579 -1.156 1.00 0.00 H
79	HETATM 79 H79 LIG1 1 -3.086 5.111 0.543 1.00 0.00 H
80	HETATM 80 H80 LIG1 1 4.189 1.976 1.695 1.00 0.00 H
81	HETATM 81 H81 LIG1 1 5.814 0.001 1.014 1.00 0.00 H
82	HETATM 82 H82 LIG1 1 4.564 -1.562 2.456 1.00 0.00 H
83	HETATM 83 H83 LIG1 1 4.611 0.061 3.184 1.00 0.00 H
84	HETATM 84 H84 LIG1 1 3.132 -0.509 2.376 1.00 0.00 H
85	CONECT 1 2 35 36 37
86	CONECT 2 1 3 7 38
87	CONECT 3 2 4 31 39
88	CONECT 4 3 5 40 41
89	CONECT 5 4 6 42 43
90	CONECT 6 5 7 8 44
91	CONECT 8 6 9 46 47
92	CONECT 9 8 10 48 49
93	CONECT 10 9 11 50 51
94	CONECT 11 10 12 52 53
95	CONECT 12 11 13 54 55
96	CONECT 13 12 14 57 56
97	CONECT 14 13 15 58 59
98	CONECT 15 14 16 17
99	CONECT 18 17 19 33 60
100	CONECT 19 18 20 61 62
101	CONECT 20 19 21 63 64
102	CONECT 21 20 22 32 65
103	CONECT 22 21 23 66 67
104	CONECT 23 22 24 68 69
105	CONECT 24 23 25 70 71
106	CONECT 25 24 26 72 73
107	CONECT 26 25 27 74 75
108	CONECT 27 26 28 76 77
109	CONECT 28 27 29 78 79
110	CONECT 29 28 30 31
111	CONECT 33 18 32 34 81
112	CONECT 34 33 82 83 84
113	CONECT 35 1
114	CONECT 36 1
115	CONECT 37 1
116	CONECT 38 2
117	CONECT 39 3
118	CONECT 40 4
119	CONECT 41 4
120	CONECT 42 5
121	CONECT 43 5
122	CONECT 44 6
123	CONECT 45 7
124	CONECT 46 8
125	CONECT 47 8
126	CONECT 48 9
127	CONECT 49 9
128	CONECT 50 10
129	CONECT 51 10
130	CONECT 52 11
131	CONECT 53 11
132	CONECT 54 12
133	CONECT 55 12
134	CONECT 56 13
135	CONECT 57 13
136	CONECT 58 14
137	CONECT 59 14
138	CONECT 60 18
139	CONECT 61 19
140	CONECT 62 19
141	CONECT 63 20
142	CONECT 64 20
143	CONECT 65 21
144	CONECT 66 22
145	CONECT 67 22
146	CONECT 68 23
147	CONECT 69 23
148	CONECT 70 24
149	CONECT 71 24
150	CONECT 72 25
151	CONECT 73 25
152	CONECT 74 26
153	CONECT 75 26
154	CONECT 76 27
155	CONECT 77 27
156	CONECT 78 28
157	CONECT 79 28
158	CONECT 80 32
159	CONECT 81 33
160	CONECT 82 34
161	CONECT 83 34
162	CONECT 84 34
163	CONECT 7 2 6 45
164	CONECT 32 21 33 80
165	CONECT 16 15
166	CONECT 17 18 15
167	CONECT 30 29
168	CONECT 31 3 29
169	END

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