Mercurial > repos > marpiech > norwich_tools_docking

comparison test-data/rdock/1nem_rdock.mol2 @ 2:bd50f811878f draft

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planemo upload
author marpiech
date Mon, 29 Aug 2016 08:10:31 -0400
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1:4bc2bd0a402c 2:bd50f811878f
1 @<TRIPOS>MOLECULE
2 1NEM.A
3 744 803 23 0 0
4 BIOPOLYMER
5 USER_CHARGES
6
7
8 @<TRIPOS>ATOM
9 1 O5' 4.7460 15.2970 -9.5070 O.3 1 G5_4 -0.6800 BACKBONE
10 2 HO5' 4.0460 15.1580 -10.1580 H 1 G5_4 0.4000
11 3 C5' 4.1720 16.1450 -8.5140 C.3 1 G5_4 0.1200 BACKBONE
12 4 C4' 4.9570 16.0660 -7.1940 C.3 1 G5_4 0.2000 BACKBONE
13 5 O4' 4.4250 17.0320 -6.2290 O.3 1 G5_4 -0.5600
14 6 C3' 4.8270 14.7290 -6.4540 C.3 1 G5_4 0.2000 BACKBONE
15 7 O3' 5.6330 13.6980 -7.0410 O.3 1 G5_4 -0.5512 BACKBONE
16 8 C2' 5.1950 15.1160 -5.0130 C.3 1 G5_4 0.2000
17 9 O2' 6.6050 15.1930 -4.7900 O.3 1 G5_4 -0.6800
18 10 HO2' 6.7984 14.4889 -4.1603 H 1 G5_4 0.4000
19 11 C1' 4.5330 16.5070 -4.8910 C.3 1 G5_4 0.4556
20 12 N9 3.1770 16.5250 -4.2520 N.pl3 1 G5_4 0.0476
21 13 C8 1.9490 16.4030 -4.8450 C.2 1 G5_4 0.0365
22 14 N7 0.9320 16.4630 -4.0240 N.2 1 G5_4 -0.5653
23 15 C5 1.4990 16.6270 -2.7880 C.2 1 G5_4 0.1412
24 16 C6 0.8630 16.7470 -1.5420 C.2 1 G5_4 0.7160
25 17 O6 -0.3580 16.7180 -1.3500 O.2 1 G5_4 -0.5700
26 18 N1 1.8000 16.9090 -0.4950 N.am 1 G5_4 -0.4900
27 19 C2 3.1870 16.9490 -0.6310 C.2 1 G5_4 0.5600
28 20 N2 3.8300 17.1190 0.5470 N.pl3 1 G5_4 -0.8500
29 21 N3 3.7710 16.8300 -1.8480 N.2 1 G5_4 -0.5760
30 22 C4 2.8930 16.6720 -2.8780 C.2 1 G5_4 -0.0256
31 23 H5' 3.1120 15.8520 -8.3550 H 1 G5_4 0.0800
32 24 H5'' 4.1910 17.1880 -8.8980 H 1 G5_4 0.0800
33 25 H4' 6.0250 16.3240 -7.3680 H 1 G5_4 0.0800
34 26 H3' 3.7510 14.4250 -6.4640 H 1 G5_4 0.0800
35 27 H2' 4.7690 14.4120 -4.2780 H 1 G5_4 0.0800
36 28 H1' 5.2090 17.1600 -4.3060 H 1 G5_4 0.0800
37 29 H8 1.8910 16.2730 -5.9250 H 1 G5_4 0.1500
38 30 H1 1.3940 17.0030 0.4270 H 1 G5_4 0.3700
39 31 H21 3.3080 17.1950 1.4020 H 1 G5_4 0.4000
40 32 H22 4.8280 17.1550 0.5420 H 1 G5_4 0.4000
41 33 P 5.3830 12.1570 -6.7190 P.3 2 G5 1.4424 BACKBONE
42 34 OP1 5.8690 11.3550 -7.8620 O.co2 2 G5 -0.9500 BACKBONE
43 35 OP2 3.9730 11.9590 -6.2990 O.co2 2 G5 -0.9500 BACKBONE
44 36 O5' 6.3610 11.9450 -5.4800 O.3 2 G5 -0.5512 BACKBONE
45 37 C5' 6.1080 10.9480 -4.4870 C.3 2 G5 0.1200 BACKBONE
46 38 C4' 6.5680 11.4070 -3.0800 C.3 2 G5 0.2000 BACKBONE
47 39 O4' 6.0690 12.7570 -2.7770 O.3 2 G5 -0.5600
48 40 C3' 6.0170 10.5140 -1.9530 C.3 2 G5 0.2000 BACKBONE
49 41 O3' 6.9200 9.4420 -1.6390 O.3 2 G5 -0.5512 BACKBONE
50 42 C2' 5.7430 11.4940 -0.7960 C.3 2 G5 0.2000
51 43 O2' 6.8870 11.7390 0.0230 O.3 2 G5 -0.6800
52 44 HO2' 7.1990 10.8620 0.2690 H 2 G5 0.4000
53 45 C1' 5.3330 12.7750 -1.5530 C.3 2 G5 0.4556
54 46 N9 3.8770 12.9500 -1.8580 N.pl3 2 G5 0.0476
55 47 C8 3.2200 12.8280 -3.0530 C.2 2 G5 0.0365
56 48 N7 1.9340 13.0530 -3.0000 N.2 2 G5 -0.5653
57 49 C5 1.6960 13.3480 -1.6850 C.2 2 G5 0.1412
58 50 C6 0.4810 13.6670 -1.0700 C.2 2 G5 0.7160
59 51 O6 -0.6140 13.7290 -1.6390 O.2 2 G5 -0.5700
60 52 N1 0.6460 13.9130 0.3130 N.am 2 G5 -0.4900
61 53 C2 1.8510 13.8500 1.0150 C.2 2 G5 0.5600
62 54 N2 1.7040 14.1260 2.3260 N.pl3 2 G5 -0.8500
63 55 N3 3.0070 13.5400 0.3930 N.2 2 G5 -0.5760
64 56 C4 2.8740 13.3010 -0.9380 C.2 2 G5 -0.0256
65 57 H5' 6.6560 10.0180 -4.7550 H 2 G5 0.0800
66 58 H5'' 5.0230 10.6920 -4.4370 H 2 G5 0.0800
67 59 H4' 7.6760 11.4660 -3.0360 H 2 G5 0.0800
68 60 H3' 5.0250 10.1080 -2.2700 H 2 G5 0.0800
69 61 H2' 4.9220 11.1320 -0.1480 H 2 G5 0.0800
70 62 H1' 5.6550 13.6510 -0.9590 H 2 G5 0.0800
71 63 H8 3.7860 12.5740 -3.9480 H 2 G5 0.1500
72 64 H1 -0.1990 14.1450 0.8180 H 2 G5 0.3700
73 65 H22 0.7990 14.3470 2.6950 H 2 G5 0.4000
74 66 H21 2.5060 14.1140 2.9190 H 2 G5 0.4000
75 67 P 6.4210 8.0780 -0.9900 P.3 3 A6 1.4424 BACKBONE
76 68 OP1 7.5250 7.0940 -1.0380 O.co2 3 A6 -0.9500 BACKBONE
77 69 OP2 5.1270 7.6730 -1.6010 O.co2 3 A6 -0.9500 BACKBONE
78 70 O5' 6.2070 8.5400 0.5220 O.3 3 A6 -0.5512 BACKBONE
79 71 C5' 5.1870 7.9510 1.3230 C.3 3 A6 0.1200 BACKBONE
80 72 C4' 4.9420 8.7520 2.6220 C.3 3 A6 0.2000 BACKBONE
81 73 O4' 4.4250 10.0960 2.3290 O.3 3 A6 -0.5600
82 74 C3' 3.8790 8.0910 3.5090 C.3 3 A6 0.2000 BACKBONE
83 75 O3' 4.5080 7.2010 4.4440 O.3 3 A6 -0.5512 BACKBONE
84 76 C2' 3.1200 9.2680 4.1460 C.3 3 A6 0.2000
85 77 O2' 3.7200 9.7110 5.3650 O.3 3 A6 -0.6800
86 78 HO2' 3.8560 8.9010 5.8650 H 3 A6 0.4000
87 79 C1' 3.2170 10.3690 3.0590 C.3 3 A6 0.4556
88 80 N9 2.0850 10.5130 2.0740 N.pl3 3 A6 0.0476
89 81 C8 2.1320 10.4050 0.7050 C.2 3 A6 0.0365
90 82 N7 0.9910 10.6010 0.0950 N.2 3 A6 -0.5653
91 83 C5 0.1080 10.8780 1.1080 C.ar 3 A6 0.2272
92 84 C6 -1.2680 11.1730 1.0460 C.ar 3 A6 0.4100
93 85 N6 -1.8910 11.2070 -0.1680 N.pl3 3 A6 -0.9000
94 86 N1 -1.8770 11.4060 2.2490 N.ar 3 A6 -0.6200
95 87 C2 -1.1620 11.3420 3.3800 C.ar 3 A6 0.4700
96 88 N3 0.1350 11.0710 3.5440 N.ar 3 A6 -0.5670
97 89 C4 0.7330 10.8410 2.3480 C.ar 3 A6 0.1054
98 90 H5' 5.4940 6.9160 1.5940 H 3 A6 0.0800
99 91 H5'' 4.2270 7.8960 0.7550 H 3 A6 0.0800
100 92 H4' 5.8950 8.8880 3.1770 H 3 A6 0.0800
101 93 H3' 3.1450 7.5460 2.8640 H 3 A6 0.0800
102 94 H2' 2.0650 9.0050 4.3530 H 3 A6 0.0800
103 95 H1' 3.3390 11.3480 3.5670 H 3 A6 0.0800
104 96 H8 3.0820 10.1750 0.2160 H 3 A6 0.1500
105 97 H62 -2.8730 11.4230 -0.2290 H 3 A6 0.4000
106 98 H61 -1.3550 11.0330 -0.9950 H 3 A6 0.4000
107 99 H2 -1.7190 11.5350 4.3000 H 3 A6 0.1500
108 100 P 3.8860 5.8230 4.9110 P.3 4 C7 1.4424 BACKBONE
109 101 OP1 4.9260 5.0080 5.5820 O.co2 4 C7 -0.9500 BACKBONE
110 102 OP2 3.1910 5.1620 3.7780 O.co2 4 C7 -0.9500 BACKBONE
111 103 O5' 2.8420 6.3190 6.0020 O.3 4 C7 -0.5512 BACKBONE
112 104 C5' 1.5830 5.6710 6.1670 C.3 4 C7 0.1200 BACKBONE
113 105 C4' 0.5510 6.5960 6.8380 C.3 4 C7 0.2000 BACKBONE
114 106 O4' 0.3930 7.8360 6.0710 O.3 4 C7 -0.5600
115 107 C3' -0.8520 5.9790 6.8780 C.3 4 C7 0.2000 BACKBONE
116 108 O3' -1.0590 5.2200 8.0820 O.3 4 C7 -0.5512 BACKBONE
117 109 C2' -1.7860 7.1920 6.7490 C.3 4 C7 0.2000
118 110 O2' -1.9850 7.8440 8.0060 O.3 4 C7 -0.6800
119 111 HO2' -1.7640 7.1650 8.6540 H 4 C7 0.4000
120 112 C1' -0.9850 8.1040 5.7770 C.3 4 C7 0.5001
121 113 N1 -1.2650 7.9890 4.2780 N.am 4 C7 -0.4691
122 114 C2 -2.5950 8.2820 3.7750 C.2 4 C7 0.8410
123 115 O2 -3.5400 8.5980 4.5230 O.2 4 C7 -0.5700
124 116 N3 -2.8130 8.1910 2.4160 N.2 4 C7 -0.6610
125 117 C4 -1.8320 7.8570 1.5490 C.2 4 C7 0.4856
126 118 N4 -2.0950 7.7780 0.2180 N.pl3 4 C7 -0.8500
127 119 C5 -0.5060 7.5810 2.0280 C.2 4 C7 -0.1356
128 120 C6 -0.2720 7.6570 3.3460 C.2 4 C7 -0.0410
129 121 H5' 1.7190 4.7690 6.8060 H 4 C7 0.0800
130 122 H5'' 1.1710 5.3450 5.1820 H 4 C7 0.0800
131 123 H4' 0.8950 6.8880 7.8550 H 4 C7 0.0800
132 124 H3' -1.0100 5.3540 5.9650 H 4 C7 0.0800
133 125 H2' -2.7700 6.8990 6.3340 H 4 C7 0.0800
134 126 H1' -1.1300 9.1700 6.0590 H 4 C7 0.0800
135 127 H42 -3.0250 7.9890 -0.0900 H 4 C7 0.4000
136 128 H41 -1.3740 7.5390 -0.4300 H 4 C7 0.4000
137 129 H5 0.2840 7.3130 1.3270 H 4 C7 0.1500
138 130 H6 0.7290 7.4490 3.7200 H 4 C7 0.1500
139 131 P -1.6200 3.7320 8.0690 P.3 5 U8 1.4424 BACKBONE
140 132 OP1 -1.6420 3.2400 9.4660 O.co2 5 U8 -0.9500 BACKBONE
141 133 OP2 -0.8510 2.9280 7.0840 O.co2 5 U8 -0.9500 BACKBONE
142 134 O5' -3.1060 3.9270 7.5280 O.3 5 U8 -0.5512 BACKBONE
143 135 C5' -4.1450 4.3940 8.4000 C.3 5 U8 0.1200 BACKBONE
144 136 C4' -5.5190 4.5500 7.7020 C.3 5 U8 0.2000 BACKBONE
145 137 O4' -5.4680 5.5890 6.6670 O.3 5 U8 -0.5600
146 138 C3' -6.0070 3.3090 6.9500 C.3 5 U8 0.2000 BACKBONE
147 139 O3' -6.5410 2.2900 7.8090 O.3 5 U8 -0.5512 BACKBONE
148 140 C2' -6.9820 3.8870 5.9160 C.3 5 U8 0.2000
149 141 O2' -8.3000 4.0970 6.4190 O.3 5 U8 -0.6800
150 142 HO2' -8.8604 3.5044 5.9056 H 5 U8 0.4000
151 143 C1' -6.3090 5.2280 5.5510 C.3 5 U8 0.5001
152 144 N1 -5.5190 5.1930 4.2620 N.am 5 U8 -0.4691
153 145 C2 -6.2630 5.3500 3.0480 C.2 5 U8 0.6900
154 146 O2 -7.4850 5.5120 2.9680 O.2 5 U8 -0.5700
155 147 N3 -5.4810 5.3020 1.8870 N.am 5 U8 -0.4900
156 148 C4 -4.0940 5.1210 1.7840 C.2 5 U8 0.6156
157 149 O4 -3.5470 5.1020 0.6750 O.2 5 U8 -0.5700
158 150 C5 -3.4170 4.9640 3.0590 C.2 5 U8 -0.1356
159 151 C6 -4.1280 5.0020 4.2060 C.2 5 U8 -0.0410
160 152 H5' -3.8640 5.3800 8.8350 H 5 U8 0.0800
161 153 H5'' -4.2720 3.6740 9.2410 H 5 U8 0.0800
162 154 H4' -6.2780 4.8750 8.4480 H 5 U8 0.0800
163 155 H3' -5.1360 2.9040 6.3900 H 5 U8 0.0800
164 156 H2' -7.0540 3.2180 5.0360 H 5 U8 0.0800
165 157 H1' -7.1020 6.0070 5.4760 H 5 U8 0.0800
166 158 H3 -6.0070 5.4170 1.0220 H 5 U8 0.3700
167 159 H5 -2.3380 4.8190 3.0720 H 5 U8 0.1500
168 160 H6 -3.6240 4.8850 5.1650 H 5 U8 0.1500
169 161 P -6.7610 0.8050 7.2750 P.3 6 G9 1.4424 BACKBONE
170 162 OP1 -6.8130 -0.1330 8.4170 O.co2 6 G9 -0.9500 BACKBONE
171 163 OP2 -5.7710 0.4960 6.2110 O.co2 6 G9 -0.9500 BACKBONE
172 164 O5' -8.2100 0.9500 6.6330 O.3 6 G9 -0.5512 BACKBONE
173 165 C5' -8.6350 0.0680 5.5970 C.3 6 G9 0.1200 BACKBONE
174 166 C4' -9.8920 0.6000 4.8820 C.3 6 G9 0.2000 BACKBONE
175 167 O4' -9.6390 1.9090 4.2620 O.3 6 G9 -0.5600
176 168 C3' -10.3150 -0.2910 3.7100 C.3 6 G9 0.2000 BACKBONE
177 169 O3' -11.1380 -1.3780 4.1370 O.3 6 G9 -0.5512 BACKBONE
178 170 C2' -11.0420 0.6810 2.7770 C.3 6 G9 0.2000
179 171 O2' -12.4020 0.9110 3.1680 O.3 6 G9 -0.6800
180 172 HO2' -12.7020 0.0540 3.4910 H 6 G9 0.4000
181 173 C1' -10.1850 1.9610 2.9340 C.3 6 G9 0.4556
182 174 N9 -9.0530 2.1580 1.9650 N.pl3 6 G9 0.0476
183 175 C8 -7.7100 2.2570 2.2150 C.2 6 G9 0.0365
184 176 N7 -6.9620 2.4510 1.1560 N.2 6 G9 -0.5653
185 177 C5 -7.8540 2.4930 0.1150 C.2 6 G9 0.1412
186 178 C6 -7.6040 2.6750 -1.2550 C.2 6 G9 0.7160
187 179 O6 -6.4970 2.8470 -1.7760 O.2 6 G9 -0.5700
188 180 N1 -8.7990 2.6550 -2.0080 N.am 6 G9 -0.4900
189 181 C2 -10.0870 2.4830 -1.5010 C.2 6 G9 0.5600
190 182 N2 -11.0530 2.5030 -2.4450 N.pl3 6 G9 -0.8500
191 183 N3 -10.2950 2.3070 -0.1800 N.2 6 G9 -0.5760
192 184 C4 -9.1640 2.3200 0.5730 C.2 6 G9 -0.0256
193 185 H5' -8.8730 -0.9270 6.0390 H 6 G9 0.0800
194 186 H5'' -7.8290 -0.0700 4.8410 H 6 G9 0.0800
195 187 H4' -10.7240 0.7330 5.6070 H 6 G9 0.0800
196 188 H3' -9.4030 -0.6550 3.1720 H 6 G9 0.0800
197 189 H2' -11.0290 0.3250 1.7310 H 6 G9 0.0800
198 190 H1' -10.8510 2.8440 2.8420 H 6 G9 0.0800
199 191 H8 -7.3590 2.1690 3.2410 H 6 G9 0.1500
200 192 H1 -8.6870 2.7750 -3.0060 H 6 G9 0.3700
201 193 H21 -10.8330 2.6320 -3.4100 H 6 G9 0.4000
202 194 H22 -11.9990 2.3840 -2.1510 H 6 G9 0.4000
203 195 P -10.9130 -2.8770 3.6620 P.3 7 G10 1.4424 BACKBONE
204 196 OP1 -11.8990 -3.7210 4.3800 O.co2 7 G10 -0.9500 BACKBONE
205 197 OP2 -9.4800 -3.2280 3.7980 O.co2 7 G10 -0.9500 BACKBONE
206 198 O5' -11.2750 -2.8160 2.1160 O.3 7 G10 -0.5512 BACKBONE
207 199 C5' -12.6350 -2.6790 1.6940 C.3 7 G10 0.1200 BACKBONE
208 200 C4' -12.7620 -2.2380 0.2220 C.3 7 G10 0.2000 BACKBONE
209 201 O4' -11.9690 -1.0330 -0.0360 O.3 7 G10 -0.5600
210 202 C3' -12.2420 -3.2360 -0.8140 C.3 7 G10 0.2000 BACKBONE
211 203 O3' -13.1540 -4.3180 -1.0550 O.3 7 G10 -0.5512 BACKBONE
212 204 C2' -12.0250 -2.3350 -2.0390 C.3 7 G10 0.2000
213 205 O2' -13.2320 -2.0570 -2.7530 O.3 7 G10 -0.6800
214 206 HO2' -13.6330 -2.9230 -2.8770 H 7 G10 0.4000
215 207 C1' -11.4630 -1.0570 -1.3780 C.3 7 G10 0.4556
216 208 N9 -9.9750 -0.9200 -1.4140 N.pl3 7 G10 0.0476
217 209 C8 -9.0740 -0.7800 -0.3970 C.2 7 G10 0.0365
218 210 N7 -7.8280 -0.6500 -0.7890 N.2 7 G10 -0.5653
219 211 C5 -7.8910 -0.7040 -2.1600 C.2 7 G10 0.1412
220 212 C6 -6.8520 -0.6240 -3.1020 C.2 7 G10 0.7160
221 213 O6 -5.6550 -0.4720 -2.8450 O.2 7 G10 -0.5700
222 214 N1 -7.3420 -0.7290 -4.4330 N.am 7 G10 -0.4900
223 215 C2 -8.6740 -0.8840 -4.8030 C.2 7 G10 0.5600
224 216 N2 -8.8570 -0.9480 -6.1390 N.pl3 7 G10 -0.8500
225 217 N3 -9.6400 -0.9560 -3.8700 N.2 7 G10 -0.5760
226 218 C4 -9.2040 -0.8650 -2.5870 C.2 7 G10 -0.0256
227 219 H5' -13.1650 -1.9220 2.3180 H 7 G10 0.0800
228 220 H5'' -13.1630 -3.6510 1.8260 H 7 G10 0.0800
229 221 H4' -13.8260 -1.9880 0.0090 H 7 G10 0.0800
230 222 H3' -11.2450 -3.6140 -0.4730 H 7 G10 0.0800
231 223 H2' -11.2990 -2.7930 -2.7420 H 7 G10 0.0800
232 224 H1' -11.8420 -0.1440 -1.8650 H 7 G10 0.0800
233 225 H8 -9.4330 -0.7840 0.6310 H 7 G10 0.1500
234 226 H1 -6.6750 -0.6750 -5.1840 H 7 G10 0.3700
235 227 H21 -8.0760 -0.8890 -6.7590 H 7 G10 0.4000
236 228 H22 -9.7830 -1.0650 -6.4900 H 7 G10 0.4000
237 229 P -12.6150 -5.7630 -1.4520 P.3 8 G11 1.4424 BACKBONE
238 230 OP1 -13.7740 -6.6660 -1.6120 O.co2 8 G11 -0.9500 BACKBONE
239 231 OP2 -11.5520 -6.1730 -0.5030 O.co2 8 G11 -0.9500 BACKBONE
240 232 O5' -12.0030 -5.4700 -2.8900 O.3 8 G11 -0.5512 BACKBONE
241 233 C5' -11.0920 -6.3800 -3.4960 C.3 8 G11 0.1200 BACKBONE
242 234 C4' -10.9400 -6.1060 -5.0100 C.3 8 G11 0.2000 BACKBONE
243 235 O4' -10.4350 -4.7390 -5.2620 O.3 8 G11 -0.5600
244 236 C3' -9.9230 -7.0540 -5.6770 C.3 8 G11 0.2000 BACKBONE
245 237 O3' -10.5690 -8.1790 -6.2980 O.3 8 G11 -0.5512 BACKBONE
246 238 C2' -9.1740 -6.1560 -6.6770 C.3 8 G11 0.2000
247 239 O2' -9.8340 -6.0740 -7.9430 O.3 8 G11 -0.6800
248 240 HO2' -10.5050 -6.7640 -7.9010 H 8 G11 0.4000
249 241 C1' -9.1910 -4.7790 -5.9740 C.3 8 G11 0.4556
250 242 N9 -8.0700 -4.4240 -5.0530 N.pl3 8 G11 0.0476
251 243 C8 -8.1100 -4.0280 -3.7380 C.2 8 G11 0.0365
252 244 N7 -6.9320 -3.7570 -3.2250 N.2 8 G11 -0.5653
253 245 C5 -6.0470 -3.9610 -4.2540 C.2 8 G11 0.1412
254 246 C6 -4.6490 -3.8210 -4.2570 C.2 8 G11 0.7160
255 247 O6 -3.9550 -3.4690 -3.2990 O.2 8 G11 -0.5700
256 248 N1 -4.0990 -4.1390 -5.5210 N.am 8 G11 -0.4900
257 249 C2 -4.8070 -4.5400 -6.6510 C.2 8 G11 0.5600
258 250 N2 -4.0090 -4.7740 -7.7160 N.pl3 8 G11 -0.8500
259 251 N3 -6.1480 -4.6600 -6.6140 N.2 8 G11 -0.5760
260 252 C4 -6.7100 -4.3700 -5.4080 C.2 8 G11 -0.0256
261 253 H5' -11.4470 -7.4310 -3.3660 H 8 G11 0.0800
262 254 H5'' -10.1010 -6.2860 -3.0010 H 8 G11 0.0800
263 255 H4' -11.9290 -6.1780 -5.5120 H 8 G11 0.0800
264 256 H3' -9.1690 -7.3860 -4.9210 H 8 G11 0.0800
265 257 H2' -8.1390 -6.5060 -6.8350 H 8 G11 0.0800
266 258 H1' -9.1330 -3.9810 -6.7420 H 8 G11 0.0800
267 259 H8 -9.0750 -3.9560 -3.2180 H 8 G11 0.1500
268 260 H1 -3.0960 -4.0660 -5.6110 H 8 G11 0.3700
269 261 H21 -3.0190 -4.6560 -7.6460 H 8 G11 0.4000
270 262 H22 -4.4310 -5.0670 -8.5700 H 8 G11 0.4000
271 263 P -10.2260 -9.6980 -5.9490 P.3 9 C12 1.4424 BACKBONE
272 264 OP1 -11.1410 -10.5630 -6.7310 O.co2 9 C12 -0.9500 BACKBONE
273 265 OP2 -10.2150 -9.8680 -4.4790 O.co2 9 C12 -0.9500 BACKBONE
274 266 O5' -8.7340 -9.8710 -6.4630 O.3 9 C12 -0.5512 BACKBONE
275 267 C5' -8.4070 -9.8080 -7.8510 C.3 9 C12 0.1200 BACKBONE
276 268 C4' -6.9270 -9.4430 -8.0880 C.3 9 C12 0.2000 BACKBONE
277 269 O4' -6.5640 -8.2330 -7.3530 O.3 9 C12 -0.5600
278 270 C3' -5.9040 -10.4620 -7.5930 C.3 9 C12 0.2000 BACKBONE
279 271 O3' -5.7810 -11.5960 -8.4620 O.3 9 C12 -0.5512 BACKBONE
280 272 C2' -4.6160 -9.6200 -7.5140 C.3 9 C12 0.2000
281 273 O2' -3.9600 -9.5180 -8.7850 O.3 9 C12 -0.6800
282 274 HO2' -4.1900 -10.3440 -9.2280 H 9 C12 0.4000
283 275 C1' -5.1560 -8.2280 -7.0660 C.3 9 C12 0.5001
284 276 N1 -4.8210 -7.7300 -5.6670 N.am 9 C12 -0.4691
285 277 C2 -3.4290 -7.5470 -5.2930 C.2 9 C12 0.8410
286 278 O2 -2.4810 -7.8070 -6.0610 O.2 9 C12 -0.5700
287 279 N3 -3.1480 -7.0520 -4.0400 N.2 9 C12 -0.6610
288 280 C4 -4.1170 -6.7370 -3.1580 C.2 9 C12 0.4856
289 281 N4 -3.7940 -6.2580 -1.9270 N.pl3 9 C12 -0.8500
290 282 C5 -5.5010 -6.8950 -3.5230 C.2 9 C12 -0.1356
291 283 C6 -5.8010 -7.3760 -4.7390 C.2 9 C12 -0.0410
292 284 H5' -9.0290 -9.0420 -8.3700 H 9 C12 0.0800
293 285 H5'' -8.6180 -10.7940 -8.3230 H 9 C12 0.0800
294 286 H4' -6.7730 -9.2380 -9.1730 H 9 C12 0.0800
295 287 H3' -6.1770 -10.7640 -6.5530 H 9 C12 0.0800
296 288 H2' -3.9070 -10.0430 -6.7790 H 9 C12 0.0800
297 289 H1' -4.7920 -7.4390 -7.7370 H 9 C12 0.0800
298 290 H42 -2.8200 -6.1540 -1.6900 H 9 C12 0.4000
299 291 H41 -4.5120 -6.0240 -1.2730 H 9 C12 0.4000
300 292 H5 -6.2810 -6.6400 -2.8090 H 9 C12 0.1500
301 293 H6 -6.8400 -7.5060 -5.0370 H 9 C12 0.1500
302 294 P -6.1230 -13.0860 -8.0160 P.3 10 G13 1.4424 BACKBONE
303 295 OP1 -5.8200 -13.9670 -9.1660 O.co2 10 G13 -0.9500 BACKBONE
304 296 OP2 -7.5060 -13.1450 -7.4860 O.co2 10 G13 -0.9500 BACKBONE
305 297 O5' -5.0540 -13.3690 -6.8670 O.3 10 G13 -0.5512 BACKBONE
306 298 C5' -5.3240 -13.2710 -5.4710 C.3 10 G13 0.1200 BACKBONE
307 299 C4' -4.0550 -12.8510 -4.6960 C.3 10 G13 0.2000 BACKBONE
308 300 O4' -3.9130 -11.3870 -4.6370 O.3 10 G13 -0.5600
309 301 C3' -4.0620 -13.2140 -3.2140 C.3 10 G13 0.2000 BACKBONE
310 302 O3' -3.9040 -14.6130 -2.9290 O.3 10 G13 -0.5512 BACKBONE
311 303 C2' -2.9130 -12.3410 -2.6800 C.3 10 G13 0.2000
312 304 O2' -1.6030 -12.8040 -3.0250 O.3 10 G13 -0.6800
313 305 HO2' -1.1696 -13.0194 -2.1923 H 10 G13 0.4000
314 306 C1' -3.2570 -11.0050 -3.3980 C.3 10 G13 0.4556
315 307 N9 -4.1570 -10.1720 -2.5270 N.pl3 10 G13 0.0476
316 308 C8 -5.4870 -9.8890 -2.6680 C.2 10 G13 0.0365
317 309 N7 -6.0000 -9.1710 -1.6920 N.2 10 G13 -0.5653
318 310 C5 -4.9530 -8.9610 -0.8230 C.2 10 G13 0.1412
319 311 C6 -4.9330 -8.2470 0.4020 C.2 10 G13 0.7160
320 312 O6 -5.8830 -7.6500 0.9200 O.2 10 G13 -0.5700
321 313 N1 -3.6400 -8.2750 0.9870 N.am 10 G13 -0.4900
322 314 C2 -2.5130 -8.9110 0.4690 C.2 10 G13 0.5600
323 315 N2 -1.4240 -8.7770 1.2470 N.pl3 10 G13 -0.8500
324 316 N3 -2.5630 -9.5760 -0.7040 N.2 10 G13 -0.5760
325 317 C4 -3.7890 -9.5730 -1.3000 C.2 10 G13 -0.0256
326 318 H5' -5.6410 -14.2790 -5.1190 H 10 G13 0.0800
327 319 H5'' -6.1570 -12.5670 -5.2490 H 10 G13 0.0800
328 320 H4' -3.1530 -13.2750 -5.1920 H 10 G13 0.0800
329 321 H3' -5.0180 -12.8110 -2.7790 H 10 G13 0.0800
330 322 H2' -2.9720 -12.2440 -1.5750 H 10 G13 0.0800
331 323 H1' -2.3400 -10.4350 -3.6490 H 10 G13 0.0800
332 324 H8 -6.0050 -10.2500 -3.5640 H 10 G13 0.1500
333 325 H1 -3.5270 -7.7920 1.8610 H 10 G13 0.3700
334 326 H22 -1.4710 -8.2530 2.0980 H 10 G13 0.4000
335 327 H21 -0.5700 -9.1960 0.9310 H 10 G13 0.4000
336 328 P -4.9120 -15.3080 -1.9030 P.3 11 A14 1.4424 BACKBONE
337 329 OP1 -4.5620 -16.7410 -1.8090 O.co2 11 A14 -0.9500 BACKBONE
338 330 OP2 -6.3080 -14.9710 -2.2660 O.co2 11 A14 -0.9500 BACKBONE
339 331 O5' -4.5140 -14.5950 -0.5340 O.3 11 A14 -0.5512 BACKBONE
340 332 C5' -5.2560 -14.8430 0.6650 C.3 11 A14 0.1200 BACKBONE
341 333 C4' -4.3510 -15.0640 1.9020 C.3 11 A14 0.2000 BACKBONE
342 334 O4' -3.3810 -16.1370 1.6530 O.3 11 A14 -0.5600
343 335 C3' -3.5070 -13.8550 2.3290 C.3 11 A14 0.2000 BACKBONE
344 336 O3' -4.2370 -12.9810 3.2060 O.3 11 A14 -0.5512 BACKBONE
345 337 C2' -2.2850 -14.5010 3.0020 C.3 11 A14 0.2000
346 338 O2' -2.5200 -14.8280 4.3740 O.3 11 A14 -0.6800
347 339 HO2' -3.2000 -14.2060 4.6520 H 11 A14 0.4000
348 340 C1' -2.0860 -15.7890 2.1700 C.3 11 A14 0.4556
349 341 N9 -1.0860 -15.7130 1.0460 N.pl3 11 A14 0.0476
350 342 C8 -1.2910 -15.8190 -0.3090 C.2 11 A14 0.0365
351 343 N7 -0.2060 -15.7330 -1.0430 N.2 11 A14 -0.5653
352 344 C5 0.8030 -15.5490 -0.1290 C.ar 11 A14 0.2272
353 345 C6 2.1940 -15.3900 -0.3280 C.ar 11 A14 0.4100
354 346 N6 2.7170 -15.4010 -1.5850 N.pl3 11 A14 -0.9000
355 347 N1 2.9420 -15.2320 0.8040 N.ar 11 A14 -0.6200
356 348 C2 2.3450 -15.2380 1.9970 C.ar 11 A14 0.4700
357 349 N3 1.0540 -15.3850 2.2970 N.ar 11 A14 -0.5670
358 350 C4 0.3130 -15.5360 1.1700 C.ar 11 A14 0.1054
359 351 H5' -5.9070 -15.7430 0.5670 H 11 A14 0.0800
360 352 H5'' -5.9220 -13.9720 0.8560 H 11 A14 0.0800
361 353 H4' -4.9820 -15.4020 2.7540 H 11 A14 0.0800
362 354 H3' -3.1500 -13.3230 1.4120 H 11 A14 0.0800
363 355 H2' -1.3970 -13.8430 2.9440 H 11 A14 0.0800
364 356 H1' -1.7860 -16.6190 2.8470 H 11 A14 0.0800
365 357 H8 -2.3040 -15.9700 -0.6800 H 11 A14 0.1500
366 358 H62 3.7000 -15.2840 -1.7090 H 11 A14 0.4000
367 359 H61 2.1030 -15.5110 -2.3640 H 11 A14 0.4000
368 360 H2 3.0080 -15.1070 2.8540 H 11 A14 0.1500
369 361 P -4.3400 -11.4090 2.9710 P.3 12 G15 1.4424 BACKBONE
370 362 OP1 -5.3320 -10.8550 3.9220 O.co2 12 G15 -0.9500 BACKBONE
371 363 OP2 -4.5840 -11.1630 1.5340 O.co2 12 G15 -0.9500 BACKBONE
372 364 O5' -2.8680 -10.9140 3.3730 O.3 12 G15 -0.5512 BACKBONE
373 365 C5' -2.4710 -10.9060 4.7560 C.3 12 G15 0.1200 BACKBONE
374 366 C4' -0.9360 -10.8550 4.9960 C.3 12 G15 0.2000 BACKBONE
375 367 O4' -0.2560 -11.9730 4.3330 O.3 12 G15 -0.5600
376 368 C3' -0.2290 -9.6100 4.4550 C.3 12 G15 0.2000 BACKBONE
377 369 O3' -0.3210 -8.4820 5.3450 O.3 12 G15 -0.5512 BACKBONE
378 370 C2' 1.2100 -10.0830 4.2110 C.3 12 G15 0.2000
379 371 O2' 2.0040 -10.0490 5.4000 O.3 12 G15 -0.6800
380 372 HO2' 1.8070 -9.1880 5.7830 H 12 G15 0.4000
381 373 C1' 0.9780 -11.5360 3.7290 C.3 12 G15 0.4556
382 374 N9 0.8960 -11.7420 2.2390 N.pl3 12 G15 0.0476
383 375 C8 -0.2140 -11.8830 1.4510 C.2 12 G15 0.0365
384 376 N7 0.0270 -12.0720 0.1780 N.2 12 G15 -0.5653
385 377 C5 1.3930 -12.0540 0.0850 C.2 12 G15 0.1412
386 378 C6 2.1960 -12.2070 -1.0570 C.2 12 G15 0.7160
387 379 O6 1.7880 -12.3890 -2.2090 O.2 12 G15 -0.5700
388 380 N1 3.5740 -12.1300 -0.7360 N.am 12 G15 -0.4900
389 381 C2 4.1080 -11.9310 0.5390 C.2 12 G15 0.5600
390 382 N2 5.4620 -11.9020 0.5500 N.pl3 12 G15 -0.8500
391 383 N3 3.3070 -11.7880 1.6190 N.2 12 G15 -0.5760
392 384 C4 1.9770 -11.8550 1.3410 C.2 12 G15 -0.0256
393 385 H5' -2.8490 -11.8170 5.2760 H 12 G15 0.0800
394 386 H5'' -2.9320 -10.0250 5.2550 H 12 G15 0.0800
395 387 H4' -0.7340 -10.9590 6.0860 H 12 G15 0.0800
396 388 H3' -0.6710 -9.3930 3.4590 H 12 G15 0.0800
397 389 H2' 1.7030 -9.4770 3.4260 H 12 G15 0.0800
398 390 H1' 1.7940 -12.1790 4.1230 H 12 G15 0.0800
399 391 H8 -1.1950 -11.8330 1.9120 H 12 G15 0.1500
400 392 H1 4.2040 -12.2300 -1.5140 H 12 G15 0.3700
401 393 H21 5.9840 -12.0140 -0.2920 H 12 G15 0.4000
402 394 H22 5.9150 -11.7600 1.4280 H 12 G15 0.4000
403 395 P -0.6820 -7.0580 4.7320 P.3 13 A16 1.4424 BACKBONE
404 396 OP1 -2.0780 -7.0870 4.2490 O.co2 13 A16 -0.9500 BACKBONE
405 397 OP2 0.3340 -6.6780 3.7180 O.co2 13 A16 -0.9500 BACKBONE
406 398 O5' -0.6360 -6.0690 5.9690 O.3 13 A16 -0.5512 BACKBONE
407 399 C5' 0.5340 -5.6470 6.6580 C.3 13 A16 0.1200 BACKBONE
408 400 C4' 1.3660 -4.5750 5.9000 C.3 13 A16 0.2000 BACKBONE
409 401 O4' 0.5050 -3.4970 5.3980 O.3 13 A16 -0.5600
410 402 C3' 2.4170 -3.8710 6.7780 C.3 13 A16 0.2000 BACKBONE
411 403 O3' 3.5880 -3.6100 5.9930 O.3 13 A16 -0.5512 BACKBONE
412 404 C2' 1.6900 -2.5790 7.2010 C.3 13 A16 0.2000
413 405 O2' 2.5770 -1.5420 7.6130 O.3 13 A16 -0.6800
414 406 HO2' 3.3780 -1.6900 7.0930 H 13 A16 0.4000
415 407 C1' 0.9350 -2.2400 5.9020 C.3 13 A16 0.4556
416 408 N9 -0.2890 -1.3870 5.9440 N.pl3 13 A16 0.0476
417 409 C8 -1.3470 -1.3670 6.8180 C.2 13 A16 0.0365
418 410 N7 -2.2880 -0.5010 6.5110 N.2 13 A16 -0.5653
419 411 C5 -1.8360 0.0910 5.3570 C.ar 13 A16 0.2272
420 412 C6 -2.4070 1.1000 4.5490 C.ar 13 A16 0.4100
421 413 N6 -3.5970 1.6640 4.8510 N.pl3 13 A16 -0.9000
422 414 N1 -1.6900 1.4630 3.4500 N.ar 13 A16 -0.6200
423 415 C2 -0.5320 0.8710 3.1970 C.ar 13 A16 0.4700
424 416 N3 0.0970 -0.0740 3.8780 N.ar 13 A16 -0.5670
425 417 C4 -0.6170 -0.4360 4.9720 C.ar 13 A16 0.1054
426 418 H5' 1.1860 -6.5200 6.8830 H 13 A16 0.0800
427 419 H5'' 0.2060 -5.2250 7.6330 H 13 A16 0.0800
428 420 H4' 1.8360 -5.0530 5.0170 H 13 A16 0.0800
429 421 H3' 2.6600 -4.4640 7.6890 H 13 A16 0.0800
430 422 H2' 0.9690 -2.7960 8.0190 H 13 A16 0.0800
431 423 H1' 1.6550 -1.8360 5.1530 H 13 A16 0.0800
432 424 H8 -1.3510 -2.0430 7.6750 H 13 A16 0.1500
433 425 H62 -3.9600 2.3780 4.2560 H 13 A16 0.4000
434 426 H61 -4.1080 1.3740 5.6710 H 13 A16 0.4000
435 427 H2 -0.0020 1.2180 2.3210 H 13 A16 0.1500
436 428 P 5.0190 -4.2450 6.2630 P.3 14 A17 1.4424 BACKBONE
437 429 OP1 4.9550 -5.2830 7.3200 O.co2 14 A17 -0.9500 BACKBONE
438 430 OP2 5.9470 -3.1090 6.4710 O.co2 14 A17 -0.9500 BACKBONE
439 431 O5' 5.3700 -4.9270 4.8730 O.3 14 A17 -0.5512 BACKBONE
440 432 C5' 4.5720 -5.9680 4.3140 C.3 14 A17 0.1200 BACKBONE
441 433 C4' 5.2750 -6.6710 3.1390 C.3 14 A17 0.2000 BACKBONE
442 434 O4' 4.4220 -7.7540 2.6600 O.3 14 A17 -0.5600
443 435 C3' 5.4810 -5.8220 1.8780 C.3 14 A17 0.2000 BACKBONE
444 436 O3' 6.6270 -4.9630 1.9800 O.3 14 A17 -0.5512 BACKBONE
445 437 C2' 5.6080 -6.8870 0.7750 C.3 14 A17 0.2000
446 438 O2' 6.9580 -7.3140 0.5850 O.3 14 A17 -0.6800
447 439 HO2' 7.4640 -6.5180 0.7850 H 14 A17 0.4000
448 440 C1' 4.7200 -8.0490 1.2870 C.3 14 A17 0.4556
449 441 N9 3.4460 -8.3050 0.5340 N.pl3 14 A17 0.0476
450 442 C8 2.1400 -8.2020 0.9580 C.2 14 A17 0.0365
451 443 N7 1.2500 -8.5160 0.0540 N.2 14 A17 -0.5653
452 444 C5 1.9820 -8.8610 -1.0480 C.ar 14 A17 0.2272
453 445 C6 1.5560 -9.2860 -2.3220 C.ar 14 A17 0.4100
454 446 N6 0.2360 -9.4090 -2.6180 N.pl3 14 A17 -0.9000
455 447 N1 2.5500 -9.5550 -3.2210 N.ar 14 A17 -0.6200
456 448 C2 3.8230 -9.4100 -2.8660 C.ar 14 A17 0.4700
457 449 N3 4.3310 -9.0260 -1.6940 N.ar 14 A17 -0.5670
458 450 C4 3.3400 -8.7520 -0.8040 C.ar 14 A17 0.1054
459 451 H5' 3.6060 -5.5460 3.9560 H 14 A17 0.0800
460 452 H5'' 4.3470 -6.7350 5.0920 H 14 A17 0.0800
461 453 H4' 6.2340 -7.1180 3.4810 H 14 A17 0.0800
462 454 H3' 4.5470 -5.2390 1.6890 H 14 A17 0.0800
463 455 H2' 5.2340 -6.5110 -0.1890 H 14 A17 0.0800
464 456 H1' 5.3100 -8.9890 1.2580 H 14 A17 0.0800
465 457 H8 1.8960 -7.8760 1.9710 H 14 A17 0.1500
466 458 H62 -0.0100 -9.7280 -3.5300 H 14 A17 0.4000
467 459 H61 -0.4730 -9.2170 -1.9360 H 14 A17 0.4000
468 460 H2 4.5560 -9.6490 -3.6390 H 14 A17 0.1500
469 461 P 6.6510 -3.4540 1.4950 P.3 15 G18 1.4424 BACKBONE
470 462 OP1 7.7620 -2.7480 2.1730 O.co2 15 G18 -0.9500 BACKBONE
471 463 OP2 5.3140 -2.8550 1.7010 O.co2 15 G18 -0.9500 BACKBONE
472 464 O5' 6.9830 -3.5860 -0.0570 O.3 15 G18 -0.5512 BACKBONE
473 465 C5' 6.1940 -3.0410 -1.1170 C.3 15 G18 0.1200 BACKBONE
474 466 C4' 6.3260 -3.8930 -2.4030 C.3 15 G18 0.2000 BACKBONE
475 467 O4' 5.8600 -5.2570 -2.1310 O.3 15 G18 -0.5600
476 468 C3' 5.4680 -3.4240 -3.6020 C.3 15 G18 0.2000 BACKBONE
477 469 O3' 6.1590 -2.5360 -4.4910 O.3 15 G18 -0.5512 BACKBONE
478 470 C2' 5.0730 -4.7390 -4.2990 C.3 15 G18 0.2000
479 471 O2' 6.0850 -5.2330 -5.1810 O.3 15 G18 -0.6800
480 472 HO2' 6.4870 -4.4380 -5.5480 H 15 G18 0.4000
481 473 C1' 4.8830 -5.6700 -3.0870 C.3 15 G18 0.4556
482 474 N9 3.5110 -5.6410 -2.4730 N.pl3 15 G18 0.0476
483 475 C8 3.1280 -5.2760 -1.2130 C.2 15 G18 0.0365
484 476 N7 1.8460 -5.3710 -0.9770 N.2 15 G18 -0.5653
485 477 C5 1.3160 -5.8320 -2.1470 C.2 15 G18 0.1412
486 478 C6 -0.0230 -6.1180 -2.4410 C.2 15 G18 0.7160
487 479 O6 -0.9680 -5.9790 -1.6540 O.2 15 G18 -0.5700
488 480 N1 -0.1690 -6.5730 -3.7730 N.am 15 G18 -0.4900
489 481 C2 0.8700 -6.7360 -4.6980 C.2 15 G18 0.5600
490 482 N2 0.4370 -7.1900 -5.8890 N.pl3 15 G18 -0.8500
491 483 N3 2.1510 -6.4540 -4.3810 N.2 15 G18 -0.5760
492 484 C4 2.3130 -6.0140 -3.1090 C.2 15 G18 -0.0256
493 485 H5' 6.5470 -2.0090 -1.3350 H 15 G18 0.0800
494 486 H5'' 5.1210 -2.9800 -0.8290 H 15 G18 0.0800
495 487 H4' 7.3940 -3.9720 -2.6990 H 15 G18 0.0800
496 488 H3' 4.5310 -2.9580 -3.2090 H 15 G18 0.0800
497 489 H2' 4.1330 -4.6160 -4.8750 H 15 G18 0.0800
498 490 H1' 5.1340 -6.7270 -3.3310 H 15 G18 0.0800
499 491 H8 3.8780 -4.9360 -0.5010 H 15 G18 0.1500
500 492 H1 -1.1160 -6.7940 -4.0540 H 15 G18 0.3700
501 493 H22 -0.5400 -7.3670 -6.0190 H 15 G18 0.4000
502 494 H21 1.0970 -7.3450 -6.6180 H 15 G18 0.4000
503 495 P 5.4620 -1.2520 -5.1310 P.3 16 U19 1.4424 BACKBONE
504 496 OP1 6.4740 -0.4990 -5.9080 O.co2 16 U19 -0.9500 BACKBONE
505 497 OP2 4.7490 -0.5020 -4.0720 O.co2 16 U19 -0.9500 BACKBONE
506 498 O5' 4.3610 -1.8300 -6.1040 O.3 16 U19 -0.5512 BACKBONE
507 499 C5' 4.5800 -2.4430 -7.3680 C.3 16 U19 0.1200 BACKBONE
508 500 C4' 3.2640 -3.0150 -7.9670 C.3 16 U19 0.2000 BACKBONE
509 501 O4' 2.6190 -3.9140 -6.9980 O.3 16 U19 -0.5600
510 502 C3' 2.2040 -1.9540 -8.3200 C.3 16 U19 0.2000 BACKBONE
511 503 O3' 2.3440 -1.4800 -9.6700 O.3 16 U19 -0.5512 BACKBONE
512 504 C2' 0.8620 -2.6450 -8.0150 C.3 16 U19 0.2000
513 505 O2' 0.2070 -3.2210 -9.1450 O.3 16 U19 -0.6800
514 506 HO2' -0.5372 -2.6322 -9.3256 H 16 U19 0.4000
515 507 C1' 1.1950 -3.7350 -6.9800 C.3 16 U19 0.5001
516 508 N1 0.6830 -3.4280 -5.5910 N.am 16 U19 -0.4691
517 509 C2 -0.6520 -3.8410 -5.2590 C.2 16 U19 0.6900
518 510 O2 -1.4130 -4.4500 -6.0180 O.2 16 U19 -0.5700
519 511 N3 -1.0610 -3.5000 -3.9520 N.am 16 U19 -0.4900
520 512 C4 -0.3000 -2.8190 -2.9810 C.2 16 U19 0.6156
521 513 O4 -0.7670 -2.5810 -1.8690 O.2 16 U19 -0.5700
522 514 C5 1.0270 -2.4360 -3.4040 C.2 16 U19 -0.1356
523 515 C6 1.4470 -2.7400 -4.6450 C.2 16 U19 -0.0410
524 516 H5' 5.3060 -3.2780 -7.2550 H 16 U19 0.0800
525 517 H5'' 5.0100 -1.7010 -8.0780 H 16 U19 0.0800
526 518 H4' 3.5000 -3.6230 -8.8660 H 16 U19 0.0800
527 519 H3' 2.3050 -1.1020 -7.6050 H 16 U19 0.0800
528 520 H2' 0.1800 -1.8970 -7.5710 H 16 U19 0.0800
529 521 H1' 0.7690 -4.7030 -7.3220 H 16 U19 0.0800
530 522 H3 -1.9920 -3.7740 -3.6630 H 16 U19 0.3700
531 523 H5 1.6750 -1.9020 -2.7110 H 16 U19 0.1500
532 524 H6 2.4390 -2.4490 -4.9600 H 16 U19 0.1500
533 525 P 1.6890 -0.1310 -10.2110 P.3 17 U20 1.4424 BACKBONE
534 526 OP1 2.2530 0.1580 -11.5460 O.co2 17 U20 -0.9500 BACKBONE
535 527 OP2 1.8100 0.9250 -9.1750 O.co2 17 U20 -0.9500 BACKBONE
536 528 O5' 0.1640 -0.5580 -10.3990 O.3 17 U20 -0.5512 BACKBONE
537 529 C5' -0.8820 0.4060 -10.2810 C.3 17 U20 0.1200 BACKBONE
538 530 C4' -2.2850 -0.2020 -10.5450 C.3 17 U20 0.2000 BACKBONE
539 531 O4' -2.5240 -1.4030 -9.7240 O.3 17 U20 -0.5600
540 532 C3' -3.4230 0.7580 -10.1580 C.3 17 U20 0.2000 BACKBONE
541 533 O3' -3.7820 1.6350 -11.2360 O.3 17 U20 -0.5512 BACKBONE
542 534 C2' -4.5530 -0.1700 -9.6940 C.3 17 U20 0.2000
543 535 O2' -5.3050 -0.7160 -10.7800 O.3 17 U20 -0.6800
544 536 HO2' -5.3990 0.0180 -11.3970 H 17 U20 0.4000
545 537 C1' -3.7390 -1.2680 -8.9630 C.3 17 U20 0.5001
546 538 N1 -3.4320 -1.0330 -7.4940 N.am 17 U20 -0.4691
547 539 C2 -4.5140 -1.1170 -6.5530 C.2 17 U20 0.6900
548 540 O2 -5.6950 -1.3500 -6.8290 O.2 17 U20 -0.5700
549 541 N3 -4.1340 -0.9040 -5.2160 N.am 17 U20 -0.4900
550 542 C4 -2.8390 -0.6340 -4.7290 C.2 17 U20 0.6156
551 543 O4 -2.6350 -0.4720 -3.5280 O.2 17 U20 -0.5700
552 544 C5 -1.8140 -0.5680 -5.7370 C.2 17 U20 -0.1356
553 545 C6 -2.1350 -0.7610 -7.0290 C.2 17 U20 -0.0410
554 546 H5' -0.7200 1.2370 -11.0070 H 17 U20 0.0800
555 547 H5'' -0.8630 0.8440 -9.2570 H 17 U20 0.0800
556 548 H4' -2.3750 -0.5180 -11.6060 H 17 U20 0.0800
557 549 H3' -3.1020 1.3370 -9.2550 H 17 U20 0.0800
558 550 H2' -5.2490 0.3510 -9.0050 H 17 U20 0.0800
559 551 H1' -4.2620 -2.2450 -9.0380 H 17 U20 0.0800
560 552 H3 -4.8700 -0.9720 -4.5250 H 17 U20 0.3700
561 553 H5 -0.7870 -0.3600 -5.4350 H 17 U20 0.1500
562 554 H6 -1.3480 -0.7110 -7.7760 H 17 U20 0.1500
563 555 P -4.1740 3.1590 -10.9920 P.3 18 U21 1.4424 BACKBONE
564 556 OP1 -3.8550 3.9250 -12.2130 O.co2 18 U21 -0.9500 BACKBONE
565 557 OP2 -3.5770 3.6390 -9.7180 O.co2 18 U21 -0.9500 BACKBONE
566 558 O5' -5.7570 3.0640 -10.8500 O.3 18 U21 -0.5512 BACKBONE
567 559 C5' -6.4930 4.0880 -10.1760 C.3 18 U21 0.1200 BACKBONE
568 560 C4' -7.8310 3.5670 -9.5840 C.3 18 U21 0.2000 BACKBONE
569 561 O4' -7.6560 2.2540 -8.9310 O.3 18 U21 -0.5600
570 562 C3' -8.3790 4.4780 -8.4620 C.3 18 U21 0.2000 BACKBONE
571 563 O3' -9.0980 5.6330 -8.8960 O.3 18 U21 -0.5512 BACKBONE
572 564 C2' -9.0260 3.5050 -7.4500 C.3 18 U21 0.2000
573 565 O2' -10.3360 3.0500 -7.7980 O.3 18 U21 -0.6800
574 566 HO2' -10.6110 3.5630 -8.5730 H 18 U21 0.4000
575 567 C1' -8.0290 2.3190 -7.5440 C.3 18 U21 0.5001
576 568 N1 -6.8010 2.3610 -6.6460 N.am 18 U21 -0.4691
577 569 C2 -6.9980 2.2650 -5.2290 C.2 18 U21 0.6900
578 570 O2 -8.0930 2.1570 -4.6700 O.2 18 U21 -0.5700
579 571 N3 -5.8070 2.2940 -4.4730 N.am 18 U21 -0.4900
580 572 C4 -4.4910 2.4160 -4.9610 C.2 18 U21 0.6156
581 573 O4 -3.5300 2.4410 -4.1930 O.2 18 U21 -0.5700
582 574 C5 -4.3860 2.5050 -6.3960 C.2 18 U21 -0.1356
583 575 C6 -5.4970 2.4750 -7.1510 C.2 18 U21 -0.0410
584 576 H5' -6.7200 4.9150 -10.8850 H 18 U21 0.0800
585 577 H5'' -5.8860 4.5180 -9.3430 H 18 U21 0.0800
586 578 H4' -8.5790 3.4210 -10.3900 H 18 U21 0.0800
587 579 H3' -7.4970 4.8890 -7.9090 H 18 U21 0.0800
588 580 H2' -9.0540 3.9370 -6.4320 H 18 U21 0.0800
589 581 H1' -8.5760 1.3780 -7.3300 H 18 U21 0.0800
590 582 H3 -5.9260 2.2220 -3.4710 H 18 U21 0.3700
591 583 H5 -3.4020 2.6010 -6.8560 H 18 U21 0.1500
592 584 H6 -5.3910 2.5420 -8.2250 H 18 U21 0.1500
593 585 P -10.5760 5.8400 -9.4170 P.3 19 A22 1.4424 BACKBONE
594 586 OP1 -11.0120 4.5950 -10.0900 O.co2 19 A22 -0.9500 BACKBONE
595 587 OP2 -10.6490 7.0940 -10.1990 O.co2 19 A22 -0.9500 BACKBONE
596 588 O5' -11.4220 5.9770 -8.0870 O.3 19 A22 -0.5512 BACKBONE
597 589 C5' -11.3030 7.0770 -7.1950 C.3 19 A22 0.1200 BACKBONE
598 590 C4' -11.9150 6.7170 -5.8260 C.3 19 A22 0.2000 BACKBONE
599 591 O4' -11.1950 5.5850 -5.2220 O.3 19 A22 -0.5600
600 592 C3' -11.8040 7.8500 -4.7930 C.3 19 A22 0.2000 BACKBONE
601 593 O3' -12.9030 8.7690 -4.8930 O.3 19 A22 -0.5512 BACKBONE
602 594 C2' -11.7190 7.0960 -3.4560 C.3 19 A22 0.2000
603 595 O2' -12.9970 6.7340 -2.9300 O.3 19 A22 -0.6800
604 596 HO2' -13.4940 7.5590 -2.9270 H 19 A22 0.4000
605 597 C1' -10.9210 5.8370 -3.8420 C.3 19 A22 0.4556
606 598 N9 -9.4430 5.9100 -3.6430 N.pl3 19 A22 0.0476
607 599 C8 -8.4380 6.0360 -4.5700 C.2 19 A22 0.0365
608 600 N7 -7.2270 6.0650 -4.0660 N.2 19 A22 -0.5653
609 601 C5 -7.4320 5.9590 -2.7080 C.ar 19 A22 0.2272
610 602 C6 -6.5080 5.9360 -1.6430 C.ar 19 A22 0.4100
611 603 N6 -5.1630 6.0230 -1.8690 N.pl3 19 A22 -0.9000
612 604 N1 -7.0580 5.8100 -0.4020 N.ar 19 A22 -0.6200
613 605 C2 -8.3810 5.7200 -0.2470 C.ar 19 A22 0.4700
614 606 N3 -9.3280 5.7280 -1.1720 N.ar 19 A22 -0.5670
615 607 C4 -8.7830 5.8570 -2.4080 C.ar 19 A22 0.1054
616 608 H5' -11.8450 7.9530 -7.6170 H 19 A22 0.0800
617 609 H5'' -10.2350 7.3610 -7.0550 H 19 A22 0.0800
618 610 H4' -12.9740 6.4040 -5.9490 H 19 A22 0.0800
619 611 H3' -10.8340 8.3850 -4.9440 H 19 A22 0.0800
620 612 H2' -11.1870 7.6950 -2.6910 H 19 A22 0.0800
621 613 H1' -11.3060 4.9890 -3.2440 H 19 A22 0.0800
622 614 H8 -8.6930 6.0980 -5.6280 H 19 A22 0.1500
623 615 H62 -4.5410 6.0140 -1.0850 H 19 A22 0.4000
624 616 H61 -4.8360 6.1280 -2.8070 H 19 A22 0.4000
625 617 H2 -8.7390 5.6230 0.7800 H 19 A22 0.1500
626 618 P -12.8480 10.2340 -4.2750 P.3 20 G23 1.4424 BACKBONE
627 619 OP1 -14.0270 10.9880 -4.7540 O.co2 20 G23 -0.9500 BACKBONE
628 620 OP2 -11.5100 10.8260 -4.5270 O.co2 20 G23 -0.9500 BACKBONE
629 621 O5' -13.0430 9.9090 -2.7280 O.3 20 G23 -0.5512 BACKBONE
630 622 C5' -12.5030 10.7690 -1.7300 C.3 20 G23 0.1200 BACKBONE
631 623 C4' -12.5750 10.1280 -0.3260 C.3 20 G23 0.2000 BACKBONE
632 624 O4' -11.7930 8.8820 -0.2680 O.3 20 G23 -0.5600
633 625 C3' -11.9670 11.0390 0.7520 C.3 20 G23 0.2000 BACKBONE
634 626 O3' -12.9700 11.8930 1.3230 O.3 20 G23 -0.5512 BACKBONE
635 627 C2' -11.3180 10.0690 1.7500 C.3 20 G23 0.2000
636 628 O2' -12.2360 9.6200 2.7470 O.3 20 G23 -0.6800
637 629 HO2' -12.7670 10.4020 2.9300 H 20 G23 0.4000
638 630 C1' -10.8770 8.8970 0.8390 C.3 20 G23 0.4556
639 631 N9 -9.4760 8.9380 0.3090 N.pl3 20 G23 0.0476
640 632 C8 -9.0470 9.0300 -0.9880 C.2 20 G23 0.0365
641 633 N7 -7.7450 9.0220 -1.1340 N.2 20 G23 -0.5653
642 634 C5 -7.2560 8.9120 0.1430 C.2 20 G23 0.1412
643 635 C6 -5.9200 8.8530 0.5720 C.2 20 G23 0.7160
644 636 O6 -4.9250 8.8950 -0.1590 O.2 20 G23 -0.5700
645 637 N1 -5.8300 8.7360 1.9790 N.am 20 G23 -0.4900
646 638 C2 -6.9040 8.6800 2.8710 C.2 20 G23 0.5600
647 639 N2 -6.5260 8.5740 4.1670 N.pl3 20 G23 -0.8500
648 640 N3 -8.1770 8.7320 2.4240 N.2 20 G23 -0.5760
649 641 C4 -8.2960 8.8490 1.0720 C.2 20 G23 -0.0256
650 642 H5' -13.0790 11.7230 -1.7170 H 20 G23 0.0800
651 643 H5'' -11.4380 11.0080 -1.9600 H 20 G23 0.0800
652 644 H4' -13.6240 9.8620 -0.0730 H 20 G23 0.0800
653 645 H3' -11.1350 11.6360 0.3010 H 20 G23 0.0800
654 646 H2' -10.4510 10.5390 2.2570 H 20 G23 0.0800
655 647 H1' -10.9680 7.9390 1.3980 H 20 G23 0.0800
656 648 H8 -9.7850 9.0900 -1.7910 H 20 G23 0.1500
657 649 H1 -4.8880 8.6950 2.3420 H 20 G23 0.3700
658 650 H22 -5.5580 8.5410 4.4240 H 20 G23 0.4000
659 651 H21 -7.2420 8.5280 4.8610 H 20 G23 0.4000
660 652 P -12.7220 13.4190 1.6770 P.3 21 U24 1.4424 BACKBONE
661 653 OP1 -14.0340 14.0660 1.9050 O.co2 21 U24 -0.9500 BACKBONE
662 654 OP2 -11.8370 14.0260 0.6500 O.co2 21 U24 -0.9500 BACKBONE
663 655 O5' -11.9750 13.2820 3.0730 O.3 21 U24 -0.5512 BACKBONE
664 656 C5' -10.9280 14.1660 3.4720 C.3 21 U24 0.1200 BACKBONE
665 657 C4' -9.9670 13.4740 4.4630 C.3 21 U24 0.2000 BACKBONE
666 658 O4' -9.3400 12.3070 3.8350 O.3 21 U24 -0.5600
667 659 C3' -8.7900 14.3560 4.8930 C.3 21 U24 0.2000 BACKBONE
668 660 O3' -9.1430 15.1990 6.0030 O.3 21 U24 -0.5512 BACKBONE
669 661 C2' -7.6810 13.3380 5.2050 C.3 21 U24 0.2000
670 662 O2' -7.7640 12.8380 6.5420 O.3 21 U24 -0.6800
671 663 HO2' -7.9720 13.6160 7.0720 H 21 U24 0.4000
672 664 C1' -7.9510 12.2060 4.1730 C.3 21 U24 0.5001
673 665 N1 -7.0840 12.1760 2.9190 N.am 21 U24 -0.4691
674 666 C2 -5.6620 11.9970 3.0770 C.2 21 U24 0.6900
675 667 O2 -5.0720 11.8800 4.1550 O.2 21 U24 -0.5700
676 668 N3 -4.9380 11.9550 1.8680 N.am 21 U24 -0.4900
677 669 C4 -5.4570 12.0630 0.5610 C.2 21 U24 0.6156
678 670 O4 -4.7060 12.0170 -0.4160 O.2 21 U24 -0.5700
679 671 C5 -6.8920 12.2330 0.4910 C.2 21 U24 -0.1356
680 672 C6 -7.6230 12.2760 1.6230 C.2 21 U24 -0.0410
681 673 H5' -11.3750 15.0560 3.9680 H 21 U24 0.0800
682 674 H5'' -10.3430 14.5200 2.5920 H 21 U24 0.0800
683 675 H4' -10.5290 13.1040 5.3490 H 21 U24 0.0800
684 676 H3' -8.4490 14.9610 4.0150 H 21 U24 0.0800
685 677 H2' -6.6810 13.7920 5.0590 H 21 U24 0.0800
686 678 H1' -7.8620 11.2120 4.6670 H 21 U24 0.0800
687 679 H3 -3.9380 11.8330 1.9590 H 21 U24 0.3700
688 680 H5 -7.3590 12.3250 -0.4880 H 21 U24 0.1500
689 681 H6 -8.7040 12.4030 1.5470 H 21 U24 0.1500
690 682 P -8.5890 16.6770 6.1900 P.3 22 C25 1.4424 BACKBONE
691 683 OP1 -9.3790 17.3420 7.2510 O.co2 22 C25 -0.9500 BACKBONE
692 684 OP2 -8.5320 17.3430 4.8640 O.co2 22 C25 -0.9500 BACKBONE
693 685 O5' -7.1220 16.3910 6.7430 O.3 22 C25 -0.5512 BACKBONE
694 686 C5' -5.9930 17.1740 6.3550 C.3 22 C25 0.1200 BACKBONE
695 687 C4' -4.6630 16.3930 6.5010 C.3 22 C25 0.2000 BACKBONE
696 688 O4' -4.6140 15.2710 5.5620 O.3 22 C25 -0.5600
697 689 C3' -3.4270 17.2220 6.1320 C.3 22 C25 0.2000 BACKBONE
698 690 O3' -2.9750 18.0270 7.2240 O.3 22 C25 -0.5512 BACKBONE
699 691 C2' -2.3950 16.1670 5.7140 C.3 22 C25 0.2000
700 692 O2' -1.6630 15.6410 6.8230 O.3 22 C25 -0.6800
701 693 HO2' -1.5780 16.3920 7.4210 H 22 C25 0.4000
702 694 C1' -3.2750 15.0610 5.0700 C.3 22 C25 0.5001
703 695 N1 -3.2480 14.9850 3.5530 N.am 22 C25 -0.4691
704 696 C2 -2.0050 14.6340 2.8950 C.2 22 C25 0.8410
705 697 O2 -0.9520 14.4110 3.5220 O.2 22 C25 -0.5700
706 698 N3 -1.9920 14.5560 1.5210 N.2 22 C25 -0.6610
707 699 C4 -3.0970 14.7890 0.7840 C.2 22 C25 0.4856
708 700 N4 -3.0600 14.7140 -0.5700 N.pl3 22 C25 -0.8500
709 701 C5 -4.3390 15.1350 1.4200 C.2 22 C25 -0.1356
710 702 C6 -4.3740 15.2180 2.7580 C.2 22 C25 -0.0410
711 703 H5' -5.9470 18.0730 7.0100 H 22 C25 0.0800
712 704 H5'' -6.0870 17.5290 5.3030 H 22 C25 0.0800
713 705 H4' -4.5720 15.9790 7.5280 H 22 C25 0.0800
714 706 H3' -3.6510 17.8400 5.2280 H 22 C25 0.0800
715 707 H2' -1.6730 16.5910 4.9870 H 22 C25 0.0800
716 708 H1' -2.9630 14.0700 5.4680 H 22 C25 0.0800
717 709 H42 -2.1930 14.4630 -1.0140 H 22 C25 0.4000
718 710 H41 -3.8780 14.8790 -1.1170 H 22 C25 0.4000
719 711 H5 -5.2260 15.3210 0.8120 H 22 C25 0.1500
720 712 H6 -5.3040 15.4750 3.2640 H 22 C25 0.1500
721 713 P -3.1130 19.6040 7.3060 P.3 23 C3_26 1.4424 BACKBONE
722 714 OP1 -3.5570 19.9580 8.6710 O.co2 23 C3_26 -0.9500 BACKBONE
723 715 OP2 -3.9310 20.1080 6.1770 O.co2 23 C3_26 -0.9500 BACKBONE
724 716 O5' -1.6330 20.1120 7.0820 O.3 23 C3_26 -0.5512 BACKBONE
725 717 C5' -0.5560 19.8590 7.9830 C.3 23 C3_26 0.1200 BACKBONE
726 718 C4' 0.7850 19.6440 7.2400 C.3 23 C3_26 0.2000 BACKBONE
727 719 O4' 0.7150 18.4570 6.3850 O.3 23 C3_26 -0.5600
728 720 C3' 1.1790 20.7750 6.2880 C.3 23 C3_26 0.2000 BACKBONE
729 721 O3' 1.8400 21.8500 6.9610 O.3 23 C3_26 -0.6800 BACKBONE
730 722 HO3' 2.7297 21.8785 6.5951 H 23 C3_26 0.4000
731 723 C2' 2.0400 20.0950 5.2220 C.3 23 C3_26 -0.1526
732 724 O2' 3.4190 20.0230 5.5910 O.3 23 C3_26 -0.9274
733 725 H2' 3.8884 19.5868 4.8762 H 23 C3_26 0.0000
734 726 C1' 1.4180 18.6740 5.1480 C.3 23 C3_26 0.5001
735 727 N1 0.4770 18.4350 3.9870 N.am 23 C3_26 -0.4691
736 728 C2 0.9290 17.6410 2.8710 C.2 23 C3_26 0.8410
737 729 O2 2.0710 17.1450 2.8200 O.2 23 C3_26 -0.5700
738 730 N3 0.0580 17.4320 1.8260 N.2 23 C3_26 -0.6610
739 731 C4 -1.1880 17.9530 1.8210 C.2 23 C3_26 0.4856
740 732 N4 -2.0260 17.7450 0.7760 N.pl3 23 C3_26 -0.8500
741 733 C5 -1.6480 18.7480 2.9230 C.2 23 C3_26 -0.1356
742 734 C6 -0.8130 18.9610 3.9490 C.2 23 C3_26 -0.0410
743 735 H5' -0.7540 18.9580 8.6100 H 23 C3_26 0.0800
744 736 H5'' -0.4540 20.7260 8.6710 H 23 C3_26 0.0800
745 737 H4' 1.5960 19.4550 7.9760 H 23 C3_26 0.0800
746 738 H3' 0.2760 21.1890 5.7810 H 23 C3_26 0.0800
747 739 H2' 1.9610 20.6250 4.2510 H 23 C3_26 0.0800
748 740 H1' 2.2340 17.9200 5.1390 H 23 C3_26 0.0800
749 741 H41 -1.6880 17.1880 0.0110 H 23 C3_26 0.4000
750 742 H42 -2.9490 18.1270 0.7740 H 23 C3_26 0.4000
751 743 H5 -2.6560 19.1640 2.9110 H 23 C3_26 0.1500
752 744 H6 -1.1250 19.5550 4.8000 H 23 C3_26 0.1500
753 @<TRIPOS>BOND
754 1 1 2 1
755 2 1 3 1 BACKBONE
756 3 3 4 1 BACKBONE
757 4 3 23 1
758 5 3 24 1
759 6 4 5 1
760 7 4 6 1 BACKBONE
761 8 4 25 1
762 9 5 11 1
763 10 6 7 1 BACKBONE
764 11 6 8 1
765 12 6 26 1
766 13 7 33 1 BACKBONE|INTERRES
767 14 8 9 1
768 15 8 11 1
769 16 8 27 1
770 17 9 10 1
771 18 11 12 1
772 19 11 28 1
773 20 12 13 1
774 21 12 22 1
775 22 13 14 2
776 23 13 29 1
777 24 14 15 1
778 25 15 16 1
779 26 15 22 2
780 27 16 17 2
781 28 16 18 am
782 29 18 19 1
783 30 18 30 1
784 31 19 20 1
785 32 19 21 2
786 33 20 31 1
787 34 20 32 1
788 35 21 22 1
789 36 33 34 ar BACKBONE
790 37 33 35 ar BACKBONE
791 38 33 36 1 BACKBONE
792 39 36 37 1 BACKBONE
793 40 37 38 1 BACKBONE
794 41 37 57 1
795 42 37 58 1
796 43 38 39 1
797 44 38 40 1 BACKBONE
798 45 38 59 1
799 46 39 45 1
800 47 40 41 1 BACKBONE
801 48 40 42 1
802 49 40 60 1
803 50 41 67 1 BACKBONE|INTERRES
804 51 42 43 1
805 52 42 45 1
806 53 42 61 1
807 54 43 44 1
808 55 45 46 1
809 56 45 62 1
810 57 46 47 1
811 58 46 56 1
812 59 47 48 2
813 60 47 63 1
814 61 48 49 1
815 62 49 50 1
816 63 49 56 2
817 64 50 51 2
818 65 50 52 am
819 66 52 53 1
820 67 52 64 1
821 68 53 54 1
822 69 53 55 2
823 70 54 65 1
824 71 54 66 1
825 72 55 56 1
826 73 67 68 ar BACKBONE
827 74 67 69 ar BACKBONE
828 75 67 70 1 BACKBONE
829 76 70 71 1 BACKBONE
830 77 71 72 1 BACKBONE
831 78 71 90 1
832 79 71 91 1
833 80 72 73 1
834 81 72 74 1 BACKBONE
835 82 72 92 1
836 83 73 79 1
837 84 74 75 1 BACKBONE
838 85 74 76 1
839 86 74 93 1
840 87 75 100 1 BACKBONE|INTERRES
841 88 76 77 1
842 89 76 79 1
843 90 76 94 1
844 91 77 78 1
845 92 79 80 1
846 93 79 95 1
847 94 80 81 1
848 95 80 89 1
849 96 81 82 2
850 97 81 96 1
851 98 82 83 1
852 99 83 84 ar
853 100 83 89 ar
854 101 84 85 1
855 102 84 86 ar
856 103 85 97 1
857 104 85 98 1
858 105 86 87 ar
859 106 87 88 ar
860 107 87 99 1
861 108 88 89 ar
862 109 100 101 ar BACKBONE
863 110 100 102 ar BACKBONE
864 111 100 103 1 BACKBONE
865 112 103 104 1 BACKBONE
866 113 104 105 1 BACKBONE
867 114 104 121 1
868 115 104 122 1
869 116 105 106 1
870 117 105 107 1 BACKBONE
871 118 105 123 1
872 119 106 112 1
873 120 107 108 1 BACKBONE
874 121 107 109 1
875 122 107 124 1
876 123 108 131 1 BACKBONE|INTERRES
877 124 109 110 1
878 125 109 112 1
879 126 109 125 1
880 127 110 111 1
881 128 112 113 1
882 129 112 126 1
883 130 113 114 am
884 131 113 120 1
885 132 114 115 2
886 133 114 116 1
887 134 116 117 2
888 135 117 118 1
889 136 117 119 1
890 137 118 127 1
891 138 118 128 1
892 139 119 120 2
893 140 119 129 1
894 141 120 130 1
895 142 131 132 ar BACKBONE
896 143 131 133 ar BACKBONE
897 144 131 134 1 BACKBONE
898 145 134 135 1 BACKBONE
899 146 135 136 1 BACKBONE
900 147 135 152 1
901 148 135 153 1
902 149 136 137 1
903 150 136 138 1 BACKBONE
904 151 136 154 1
905 152 137 143 1
906 153 138 139 1 BACKBONE
907 154 138 140 1
908 155 138 155 1
909 156 139 161 1 BACKBONE|INTERRES
910 157 140 141 1
911 158 140 143 1
912 159 140 156 1
913 160 141 142 1
914 161 143 144 1
915 162 143 157 1
916 163 144 145 am
917 164 144 151 1
918 165 145 146 2
919 166 145 147 am
920 167 147 148 am
921 168 147 158 1
922 169 148 149 2
923 170 148 150 1
924 171 150 151 2
925 172 150 159 1
926 173 151 160 1
927 174 161 162 ar BACKBONE
928 175 161 163 ar BACKBONE
929 176 161 164 1 BACKBONE
930 177 164 165 1 BACKBONE
931 178 165 166 1 BACKBONE
932 179 165 185 1
933 180 165 186 1
934 181 166 167 1
935 182 166 168 1 BACKBONE
936 183 166 187 1
937 184 167 173 1
938 185 168 169 1 BACKBONE
939 186 168 170 1
940 187 168 188 1
941 188 169 195 1 BACKBONE|INTERRES
942 189 170 171 1
943 190 170 173 1
944 191 170 189 1
945 192 171 172 1
946 193 173 174 1
947 194 173 190 1
948 195 174 175 1
949 196 174 184 1
950 197 175 176 2
951 198 175 191 1
952 199 176 177 1
953 200 177 178 1
954 201 177 184 2
955 202 178 179 2
956 203 178 180 am
957 204 180 181 1
958 205 180 192 1
959 206 181 182 1
960 207 181 183 2
961 208 182 193 1
962 209 182 194 1
963 210 183 184 1
964 211 195 196 ar BACKBONE
965 212 195 197 ar BACKBONE
966 213 195 198 1 BACKBONE
967 214 198 199 1 BACKBONE
968 215 199 200 1 BACKBONE
969 216 199 219 1
970 217 199 220 1
971 218 200 201 1
972 219 200 202 1 BACKBONE
973 220 200 221 1
974 221 201 207 1
975 222 202 203 1 BACKBONE
976 223 202 204 1
977 224 202 222 1
978 225 203 229 1 BACKBONE|INTERRES
979 226 204 205 1
980 227 204 207 1
981 228 204 223 1
982 229 205 206 1
983 230 207 208 1
984 231 207 224 1
985 232 208 209 1
986 233 208 218 1
987 234 209 210 2
988 235 209 225 1
989 236 210 211 1
990 237 211 212 1
991 238 211 218 2
992 239 212 213 2
993 240 212 214 am
994 241 214 215 1
995 242 214 226 1
996 243 215 216 1
997 244 215 217 2
998 245 216 227 1
999 246 216 228 1
1000 247 217 218 1
1001 248 229 230 ar BACKBONE
1002 249 229 231 ar BACKBONE
1003 250 229 232 1 BACKBONE
1004 251 232 233 1 BACKBONE
1005 252 233 234 1 BACKBONE
1006 253 233 253 1
1007 254 233 254 1
1008 255 234 235 1
1009 256 234 236 1 BACKBONE
1010 257 234 255 1
1011 258 235 241 1
1012 259 236 237 1 BACKBONE
1013 260 236 238 1
1014 261 236 256 1
1015 262 237 263 1 BACKBONE|INTERRES
1016 263 238 239 1
1017 264 238 241 1
1018 265 238 257 1
1019 266 239 240 1
1020 267 241 242 1
1021 268 241 258 1
1022 269 242 243 1
1023 270 242 252 1
1024 271 243 244 2
1025 272 243 259 1
1026 273 244 245 1
1027 274 245 246 1
1028 275 245 252 2
1029 276 246 247 2
1030 277 246 248 am
1031 278 248 249 1
1032 279 248 260 1
1033 280 249 250 1
1034 281 249 251 2
1035 282 250 261 1
1036 283 250 262 1
1037 284 251 252 1
1038 285 263 264 ar BACKBONE
1039 286 263 265 ar BACKBONE
1040 287 263 266 1 BACKBONE
1041 288 266 267 1 BACKBONE
1042 289 267 268 1 BACKBONE
1043 290 267 284 1
1044 291 267 285 1
1045 292 268 269 1
1046 293 268 270 1 BACKBONE
1047 294 268 286 1
1048 295 269 275 1
1049 296 270 271 1 BACKBONE
1050 297 270 272 1
1051 298 270 287 1
1052 299 271 294 1 BACKBONE|INTERRES
1053 300 272 273 1
1054 301 272 275 1
1055 302 272 288 1
1056 303 273 274 1
1057 304 275 276 1
1058 305 275 289 1
1059 306 276 277 am
1060 307 276 283 1
1061 308 277 278 2
1062 309 277 279 1
1063 310 279 280 2
1064 311 280 281 1
1065 312 280 282 1
1066 313 281 290 1
1067 314 281 291 1
1068 315 282 283 2
1069 316 282 292 1
1070 317 283 293 1
1071 318 294 295 ar BACKBONE
1072 319 294 296 ar BACKBONE
1073 320 294 297 1 BACKBONE
1074 321 297 298 1 BACKBONE
1075 322 298 299 1 BACKBONE
1076 323 298 318 1
1077 324 298 319 1
1078 325 299 300 1
1079 326 299 301 1 BACKBONE
1080 327 299 320 1
1081 328 300 306 1
1082 329 301 302 1 BACKBONE
1083 330 301 303 1
1084 331 301 321 1
1085 332 302 328 1 BACKBONE|INTERRES
1086 333 303 304 1
1087 334 303 306 1
1088 335 303 322 1
1089 336 304 305 1
1090 337 306 307 1
1091 338 306 323 1
1092 339 307 308 1
1093 340 307 317 1
1094 341 308 309 2
1095 342 308 324 1
1096 343 309 310 1
1097 344 310 311 1
1098 345 310 317 2
1099 346 311 312 2
1100 347 311 313 am
1101 348 313 314 1
1102 349 313 325 1
1103 350 314 315 1
1104 351 314 316 2
1105 352 315 326 1
1106 353 315 327 1
1107 354 316 317 1
1108 355 328 329 ar BACKBONE
1109 356 328 330 ar BACKBONE
1110 357 328 331 1 BACKBONE
1111 358 331 332 1 BACKBONE
1112 359 332 333 1 BACKBONE
1113 360 332 351 1
1114 361 332 352 1
1115 362 333 334 1
1116 363 333 335 1 BACKBONE
1117 364 333 353 1
1118 365 334 340 1
1119 366 335 336 1 BACKBONE
1120 367 335 337 1
1121 368 335 354 1
1122 369 336 361 1 BACKBONE|INTERRES
1123 370 337 338 1
1124 371 337 340 1
1125 372 337 355 1
1126 373 338 339 1
1127 374 340 341 1
1128 375 340 356 1
1129 376 341 342 1
1130 377 341 350 1
1131 378 342 343 2
1132 379 342 357 1
1133 380 343 344 1
1134 381 344 345 ar
1135 382 344 350 ar
1136 383 345 346 1
1137 384 345 347 ar
1138 385 346 358 1
1139 386 346 359 1
1140 387 347 348 ar
1141 388 348 349 ar
1142 389 348 360 1
1143 390 349 350 ar
1144 391 361 362 ar BACKBONE
1145 392 361 363 ar BACKBONE
1146 393 361 364 1 BACKBONE
1147 394 364 365 1 BACKBONE
1148 395 365 366 1 BACKBONE
1149 396 365 385 1
1150 397 365 386 1
1151 398 366 367 1
1152 399 366 368 1 BACKBONE
1153 400 366 387 1
1154 401 367 373 1
1155 402 368 369 1 BACKBONE
1156 403 368 370 1
1157 404 368 388 1
1158 405 369 395 1 BACKBONE|INTERRES
1159 406 370 371 1
1160 407 370 373 1
1161 408 370 389 1
1162 409 371 372 1
1163 410 373 374 1
1164 411 373 390 1
1165 412 374 375 1
1166 413 374 384 1
1167 414 375 376 2
1168 415 375 391 1
1169 416 376 377 1
1170 417 377 378 1
1171 418 377 384 2
1172 419 378 379 2
1173 420 378 380 am
1174 421 380 381 1
1175 422 380 392 1
1176 423 381 382 1
1177 424 381 383 2
1178 425 382 393 1
1179 426 382 394 1
1180 427 383 384 1
1181 428 395 396 ar BACKBONE
1182 429 395 397 ar BACKBONE
1183 430 395 398 1 BACKBONE
1184 431 398 399 1 BACKBONE
1185 432 399 400 1 BACKBONE
1186 433 399 418 1
1187 434 399 419 1
1188 435 400 401 1
1189 436 400 402 1 BACKBONE
1190 437 400 420 1
1191 438 401 407 1
1192 439 402 403 1 BACKBONE
1193 440 402 404 1
1194 441 402 421 1
1195 442 403 428 1 BACKBONE|INTERRES
1196 443 404 405 1
1197 444 404 407 1
1198 445 404 422 1
1199 446 405 406 1
1200 447 407 408 1
1201 448 407 423 1
1202 449 408 409 1
1203 450 408 417 1
1204 451 409 410 2
1205 452 409 424 1
1206 453 410 411 1
1207 454 411 412 ar
1208 455 411 417 ar
1209 456 412 413 1
1210 457 412 414 ar
1211 458 413 425 1
1212 459 413 426 1
1213 460 414 415 ar
1214 461 415 416 ar
1215 462 415 427 1
1216 463 416 417 ar
1217 464 428 429 ar BACKBONE
1218 465 428 430 ar BACKBONE
1219 466 428 431 1 BACKBONE
1220 467 431 432 1 BACKBONE
1221 468 432 433 1 BACKBONE
1222 469 432 451 1
1223 470 432 452 1
1224 471 433 434 1
1225 472 433 435 1 BACKBONE
1226 473 433 453 1
1227 474 434 440 1
1228 475 435 436 1 BACKBONE
1229 476 435 437 1
1230 477 435 454 1
1231 478 436 461 1 BACKBONE|INTERRES
1232 479 437 438 1
1233 480 437 440 1
1234 481 437 455 1
1235 482 438 439 1
1236 483 440 441 1
1237 484 440 456 1
1238 485 441 442 1
1239 486 441 450 1
1240 487 442 443 2
1241 488 442 457 1
1242 489 443 444 1
1243 490 444 445 ar
1244 491 444 450 ar
1245 492 445 446 1
1246 493 445 447 ar
1247 494 446 458 1
1248 495 446 459 1
1249 496 447 448 ar
1250 497 448 449 ar
1251 498 448 460 1
1252 499 449 450 ar
1253 500 461 462 ar BACKBONE
1254 501 461 463 ar BACKBONE
1255 502 461 464 1 BACKBONE
1256 503 464 465 1 BACKBONE
1257 504 465 466 1 BACKBONE
1258 505 465 485 1
1259 506 465 486 1
1260 507 466 467 1
1261 508 466 468 1 BACKBONE
1262 509 466 487 1
1263 510 467 473 1
1264 511 468 469 1 BACKBONE
1265 512 468 470 1
1266 513 468 488 1
1267 514 469 495 1 BACKBONE|INTERRES
1268 515 470 471 1
1269 516 470 473 1
1270 517 470 489 1
1271 518 471 472 1
1272 519 473 474 1
1273 520 473 490 1
1274 521 474 475 1
1275 522 474 484 1
1276 523 475 476 2
1277 524 475 491 1
1278 525 476 477 1
1279 526 477 478 1
1280 527 477 484 2
1281 528 478 479 2
1282 529 478 480 am
1283 530 480 481 1
1284 531 480 492 1
1285 532 481 482 1
1286 533 481 483 2
1287 534 482 493 1
1288 535 482 494 1
1289 536 483 484 1
1290 537 495 496 ar BACKBONE
1291 538 495 497 ar BACKBONE
1292 539 495 498 1 BACKBONE
1293 540 498 499 1 BACKBONE
1294 541 499 500 1 BACKBONE
1295 542 499 516 1
1296 543 499 517 1
1297 544 500 501 1
1298 545 500 502 1 BACKBONE
1299 546 500 518 1
1300 547 501 507 1
1301 548 502 503 1 BACKBONE
1302 549 502 504 1
1303 550 502 519 1
1304 551 503 525 1 BACKBONE|INTERRES
1305 552 504 505 1
1306 553 504 507 1
1307 554 504 520 1
1308 555 505 506 1
1309 556 507 508 1
1310 557 507 521 1
1311 558 508 509 am
1312 559 508 515 1
1313 560 509 510 2
1314 561 509 511 am
1315 562 511 512 am
1316 563 511 522 1
1317 564 512 513 2
1318 565 512 514 1
1319 566 514 515 2
1320 567 514 523 1
1321 568 515 524 1
1322 569 525 526 ar BACKBONE
1323 570 525 527 ar BACKBONE
1324 571 525 528 1 BACKBONE
1325 572 528 529 1 BACKBONE
1326 573 529 530 1 BACKBONE
1327 574 529 546 1
1328 575 529 547 1
1329 576 530 531 1
1330 577 530 532 1 BACKBONE
1331 578 530 548 1
1332 579 531 537 1
1333 580 532 533 1 BACKBONE
1334 581 532 534 1
1335 582 532 549 1
1336 583 533 555 1 BACKBONE|INTERRES
1337 584 534 535 1
1338 585 534 537 1
1339 586 534 550 1
1340 587 535 536 1
1341 588 537 538 1
1342 589 537 551 1
1343 590 538 539 am
1344 591 538 545 1
1345 592 539 540 2
1346 593 539 541 am
1347 594 541 542 am
1348 595 541 552 1
1349 596 542 543 2
1350 597 542 544 1
1351 598 544 545 2
1352 599 544 553 1
1353 600 545 554 1
1354 601 555 556 ar BACKBONE
1355 602 555 557 ar BACKBONE
1356 603 555 558 1 BACKBONE
1357 604 558 559 1 BACKBONE
1358 605 559 560 1 BACKBONE
1359 606 559 576 1
1360 607 559 577 1
1361 608 560 561 1
1362 609 560 562 1 BACKBONE
1363 610 560 578 1
1364 611 561 567 1
1365 612 562 563 1 BACKBONE
1366 613 562 564 1
1367 614 562 579 1
1368 615 563 585 1 BACKBONE|INTERRES
1369 616 564 565 1
1370 617 564 567 1
1371 618 564 580 1
1372 619 565 566 1
1373 620 567 568 1
1374 621 567 581 1
1375 622 568 569 am
1376 623 568 575 1
1377 624 569 570 2
1378 625 569 571 am
1379 626 571 572 am
1380 627 571 582 1
1381 628 572 573 2
1382 629 572 574 1
1383 630 574 575 2
1384 631 574 583 1
1385 632 575 584 1
1386 633 585 586 ar BACKBONE
1387 634 585 587 ar BACKBONE
1388 635 585 588 1 BACKBONE
1389 636 588 589 1 BACKBONE
1390 637 589 590 1 BACKBONE
1391 638 589 608 1
1392 639 589 609 1
1393 640 590 591 1
1394 641 590 592 1 BACKBONE
1395 642 590 610 1
1396 643 591 597 1
1397 644 592 593 1 BACKBONE
1398 645 592 594 1
1399 646 592 611 1
1400 647 593 618 1 BACKBONE|INTERRES
1401 648 594 595 1
1402 649 594 597 1
1403 650 594 612 1
1404 651 595 596 1
1405 652 597 598 1
1406 653 597 613 1
1407 654 598 599 1
1408 655 598 607 1
1409 656 599 600 2
1410 657 599 614 1
1411 658 600 601 1
1412 659 601 602 ar
1413 660 601 607 ar
1414 661 602 603 1
1415 662 602 604 ar
1416 663 603 615 1
1417 664 603 616 1
1418 665 604 605 ar
1419 666 605 606 ar
1420 667 605 617 1
1421 668 606 607 ar
1422 669 618 619 ar BACKBONE
1423 670 618 620 ar BACKBONE
1424 671 618 621 1 BACKBONE
1425 672 621 622 1 BACKBONE
1426 673 622 623 1 BACKBONE
1427 674 622 642 1
1428 675 622 643 1
1429 676 623 624 1
1430 677 623 625 1 BACKBONE
1431 678 623 644 1
1432 679 624 630 1
1433 680 625 626 1 BACKBONE
1434 681 625 627 1
1435 682 625 645 1
1436 683 626 652 1 BACKBONE|INTERRES
1437 684 627 628 1
1438 685 627 630 1
1439 686 627 646 1
1440 687 628 629 1
1441 688 630 631 1
1442 689 630 647 1
1443 690 631 632 1
1444 691 631 641 1
1445 692 632 633 2
1446 693 632 648 1
1447 694 633 634 1
1448 695 634 635 1
1449 696 634 641 2
1450 697 635 636 2
1451 698 635 637 am
1452 699 637 638 1
1453 700 637 649 1
1454 701 638 639 1
1455 702 638 640 2
1456 703 639 650 1
1457 704 639 651 1
1458 705 640 641 1
1459 706 652 653 ar BACKBONE
1460 707 652 654 ar BACKBONE
1461 708 652 655 1 BACKBONE
1462 709 655 656 1 BACKBONE
1463 710 656 657 1 BACKBONE
1464 711 656 673 1
1465 712 656 674 1
1466 713 657 658 1
1467 714 657 659 1 BACKBONE
1468 715 657 675 1
1469 716 658 664 1
1470 717 659 660 1 BACKBONE
1471 718 659 661 1
1472 719 659 676 1
1473 720 660 682 1 BACKBONE|INTERRES
1474 721 661 662 1
1475 722 661 664 1
1476 723 661 677 1
1477 724 662 663 1
1478 725 664 665 1
1479 726 664 678 1
1480 727 665 666 am
1481 728 665 672 1
1482 729 666 667 2
1483 730 666 668 am
1484 731 668 669 am
1485 732 668 679 1
1486 733 669 670 2
1487 734 669 671 1
1488 735 671 672 2
1489 736 671 680 1
1490 737 672 681 1
1491 738 682 683 ar BACKBONE
1492 739 682 684 ar BACKBONE
1493 740 682 685 1 BACKBONE
1494 741 685 686 1 BACKBONE
1495 742 686 687 1 BACKBONE
1496 743 686 703 1
1497 744 686 704 1
1498 745 687 688 1
1499 746 687 689 1 BACKBONE
1500 747 687 705 1
1501 748 688 694 1
1502 749 689 690 1 BACKBONE
1503 750 689 691 1
1504 751 689 706 1
1505 752 690 713 1 BACKBONE|INTERRES
1506 753 691 692 1
1507 754 691 694 1
1508 755 691 707 1
1509 756 692 693 1
1510 757 694 695 1
1511 758 694 708 1
1512 759 695 696 am
1513 760 695 702 1
1514 761 696 697 2
1515 762 696 698 1
1516 763 698 699 2
1517 764 699 700 1
1518 765 699 701 1
1519 766 700 709 1
1520 767 700 710 1
1521 768 701 702 2
1522 769 701 711 1
1523 770 702 712 1
1524 771 713 714 ar BACKBONE
1525 772 713 715 ar BACKBONE
1526 773 713 716 1 BACKBONE
1527 774 716 717 1 BACKBONE
1528 775 717 718 1 BACKBONE
1529 776 717 735 1
1530 777 717 736 1
1531 778 718 719 1
1532 779 718 720 1 BACKBONE
1533 780 718 737 1
1534 781 719 726 1
1535 782 720 721 1 BACKBONE
1536 783 720 723 1
1537 784 720 738 1
1538 785 721 722 1
1539 786 723 724 1
1540 787 723 726 1
1541 788 723 739 1
1542 789 724 725 1
1543 790 726 727 1
1544 791 726 740 1
1545 792 727 728 am
1546 793 727 734 1
1547 794 728 729 2
1548 795 728 730 1
1549 796 730 731 2
1550 797 731 732 1
1551 798 731 733 1
1552 799 732 741 1
1553 800 732 742 1
1554 801 733 734 2
1555 802 733 743 1
1556 803 734 744 1
1557 @<TRIPOS>SUBSTRUCTURE
1558 1 G5_4 12 RESIDUE 4 A G5 1
1559 2 G5 33 RESIDUE 4 A rG 2
1560 3 A6 67 RESIDUE 4 A rA 2
1561 4 C7 100 RESIDUE 4 A rC 2
1562 5 U8 131 RESIDUE 4 A rU 2
1563 6 G9 161 RESIDUE 4 A rG 2
1564 7 G10 195 RESIDUE 4 A rG 2
1565 8 G11 229 RESIDUE 4 A rG 2
1566 9 C12 263 RESIDUE 4 A rC 2
1567 10 G13 294 RESIDUE 4 A rG 2
1568 11 A14 328 RESIDUE 4 A rA 2
1569 12 G15 361 RESIDUE 4 A rG 2
1570 13 A16 395 RESIDUE 4 A rA 2
1571 14 A17 428 RESIDUE 4 A rA 2
1572 15 G18 461 RESIDUE 4 A rG 2
1573 16 U19 495 RESIDUE 4 A rU 2
1574 17 U20 525 RESIDUE 4 A rU 2
1575 18 U21 555 RESIDUE 4 A rU 2
1576 19 A22 585 RESIDUE 4 A rA 2
1577 20 G23 618 RESIDUE 4 A rG 2
1578 21 U24 652 RESIDUE 4 A rU 2
1579 22 C25 682 RESIDUE 4 A rC 2
1580 23 C3_26 713 RESIDUE 4 A C3 1
1581
1582 # MOE 2011.10 (io_trps.svl 2011.10)