Mercurial > repos > marpiech > norwich_docking_tools
view galaxy-tools/test-data/rdock/1nem_rdock.mol2 @ 0:4eb3f9cb2a51 draft
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| author | dzesikah |
|---|---|
| date | Fri, 26 Aug 2016 09:53:37 -0400 |
| parents | |
| children |
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@<TRIPOS>MOLECULE 1NEM.A 744 803 23 0 0 BIOPOLYMER USER_CHARGES @<TRIPOS>ATOM 1 O5' 4.7460 15.2970 -9.5070 O.3 1 G5_4 -0.6800 BACKBONE 2 HO5' 4.0460 15.1580 -10.1580 H 1 G5_4 0.4000 3 C5' 4.1720 16.1450 -8.5140 C.3 1 G5_4 0.1200 BACKBONE 4 C4' 4.9570 16.0660 -7.1940 C.3 1 G5_4 0.2000 BACKBONE 5 O4' 4.4250 17.0320 -6.2290 O.3 1 G5_4 -0.5600 6 C3' 4.8270 14.7290 -6.4540 C.3 1 G5_4 0.2000 BACKBONE 7 O3' 5.6330 13.6980 -7.0410 O.3 1 G5_4 -0.5512 BACKBONE 8 C2' 5.1950 15.1160 -5.0130 C.3 1 G5_4 0.2000 9 O2' 6.6050 15.1930 -4.7900 O.3 1 G5_4 -0.6800 10 HO2' 6.7984 14.4889 -4.1603 H 1 G5_4 0.4000 11 C1' 4.5330 16.5070 -4.8910 C.3 1 G5_4 0.4556 12 N9 3.1770 16.5250 -4.2520 N.pl3 1 G5_4 0.0476 13 C8 1.9490 16.4030 -4.8450 C.2 1 G5_4 0.0365 14 N7 0.9320 16.4630 -4.0240 N.2 1 G5_4 -0.5653 15 C5 1.4990 16.6270 -2.7880 C.2 1 G5_4 0.1412 16 C6 0.8630 16.7470 -1.5420 C.2 1 G5_4 0.7160 17 O6 -0.3580 16.7180 -1.3500 O.2 1 G5_4 -0.5700 18 N1 1.8000 16.9090 -0.4950 N.am 1 G5_4 -0.4900 19 C2 3.1870 16.9490 -0.6310 C.2 1 G5_4 0.5600 20 N2 3.8300 17.1190 0.5470 N.pl3 1 G5_4 -0.8500 21 N3 3.7710 16.8300 -1.8480 N.2 1 G5_4 -0.5760 22 C4 2.8930 16.6720 -2.8780 C.2 1 G5_4 -0.0256 23 H5' 3.1120 15.8520 -8.3550 H 1 G5_4 0.0800 24 H5'' 4.1910 17.1880 -8.8980 H 1 G5_4 0.0800 25 H4' 6.0250 16.3240 -7.3680 H 1 G5_4 0.0800 26 H3' 3.7510 14.4250 -6.4640 H 1 G5_4 0.0800 27 H2' 4.7690 14.4120 -4.2780 H 1 G5_4 0.0800 28 H1' 5.2090 17.1600 -4.3060 H 1 G5_4 0.0800 29 H8 1.8910 16.2730 -5.9250 H 1 G5_4 0.1500 30 H1 1.3940 17.0030 0.4270 H 1 G5_4 0.3700 31 H21 3.3080 17.1950 1.4020 H 1 G5_4 0.4000 32 H22 4.8280 17.1550 0.5420 H 1 G5_4 0.4000 33 P 5.3830 12.1570 -6.7190 P.3 2 G5 1.4424 BACKBONE 34 OP1 5.8690 11.3550 -7.8620 O.co2 2 G5 -0.9500 BACKBONE 35 OP2 3.9730 11.9590 -6.2990 O.co2 2 G5 -0.9500 BACKBONE 36 O5' 6.3610 11.9450 -5.4800 O.3 2 G5 -0.5512 BACKBONE 37 C5' 6.1080 10.9480 -4.4870 C.3 2 G5 0.1200 BACKBONE 38 C4' 6.5680 11.4070 -3.0800 C.3 2 G5 0.2000 BACKBONE 39 O4' 6.0690 12.7570 -2.7770 O.3 2 G5 -0.5600 40 C3' 6.0170 10.5140 -1.9530 C.3 2 G5 0.2000 BACKBONE 41 O3' 6.9200 9.4420 -1.6390 O.3 2 G5 -0.5512 BACKBONE 42 C2' 5.7430 11.4940 -0.7960 C.3 2 G5 0.2000 43 O2' 6.8870 11.7390 0.0230 O.3 2 G5 -0.6800 44 HO2' 7.1990 10.8620 0.2690 H 2 G5 0.4000 45 C1' 5.3330 12.7750 -1.5530 C.3 2 G5 0.4556 46 N9 3.8770 12.9500 -1.8580 N.pl3 2 G5 0.0476 47 C8 3.2200 12.8280 -3.0530 C.2 2 G5 0.0365 48 N7 1.9340 13.0530 -3.0000 N.2 2 G5 -0.5653 49 C5 1.6960 13.3480 -1.6850 C.2 2 G5 0.1412 50 C6 0.4810 13.6670 -1.0700 C.2 2 G5 0.7160 51 O6 -0.6140 13.7290 -1.6390 O.2 2 G5 -0.5700 52 N1 0.6460 13.9130 0.3130 N.am 2 G5 -0.4900 53 C2 1.8510 13.8500 1.0150 C.2 2 G5 0.5600 54 N2 1.7040 14.1260 2.3260 N.pl3 2 G5 -0.8500 55 N3 3.0070 13.5400 0.3930 N.2 2 G5 -0.5760 56 C4 2.8740 13.3010 -0.9380 C.2 2 G5 -0.0256 57 H5' 6.6560 10.0180 -4.7550 H 2 G5 0.0800 58 H5'' 5.0230 10.6920 -4.4370 H 2 G5 0.0800 59 H4' 7.6760 11.4660 -3.0360 H 2 G5 0.0800 60 H3' 5.0250 10.1080 -2.2700 H 2 G5 0.0800 61 H2' 4.9220 11.1320 -0.1480 H 2 G5 0.0800 62 H1' 5.6550 13.6510 -0.9590 H 2 G5 0.0800 63 H8 3.7860 12.5740 -3.9480 H 2 G5 0.1500 64 H1 -0.1990 14.1450 0.8180 H 2 G5 0.3700 65 H22 0.7990 14.3470 2.6950 H 2 G5 0.4000 66 H21 2.5060 14.1140 2.9190 H 2 G5 0.4000 67 P 6.4210 8.0780 -0.9900 P.3 3 A6 1.4424 BACKBONE 68 OP1 7.5250 7.0940 -1.0380 O.co2 3 A6 -0.9500 BACKBONE 69 OP2 5.1270 7.6730 -1.6010 O.co2 3 A6 -0.9500 BACKBONE 70 O5' 6.2070 8.5400 0.5220 O.3 3 A6 -0.5512 BACKBONE 71 C5' 5.1870 7.9510 1.3230 C.3 3 A6 0.1200 BACKBONE 72 C4' 4.9420 8.7520 2.6220 C.3 3 A6 0.2000 BACKBONE 73 O4' 4.4250 10.0960 2.3290 O.3 3 A6 -0.5600 74 C3' 3.8790 8.0910 3.5090 C.3 3 A6 0.2000 BACKBONE 75 O3' 4.5080 7.2010 4.4440 O.3 3 A6 -0.5512 BACKBONE 76 C2' 3.1200 9.2680 4.1460 C.3 3 A6 0.2000 77 O2' 3.7200 9.7110 5.3650 O.3 3 A6 -0.6800 78 HO2' 3.8560 8.9010 5.8650 H 3 A6 0.4000 79 C1' 3.2170 10.3690 3.0590 C.3 3 A6 0.4556 80 N9 2.0850 10.5130 2.0740 N.pl3 3 A6 0.0476 81 C8 2.1320 10.4050 0.7050 C.2 3 A6 0.0365 82 N7 0.9910 10.6010 0.0950 N.2 3 A6 -0.5653 83 C5 0.1080 10.8780 1.1080 C.ar 3 A6 0.2272 84 C6 -1.2680 11.1730 1.0460 C.ar 3 A6 0.4100 85 N6 -1.8910 11.2070 -0.1680 N.pl3 3 A6 -0.9000 86 N1 -1.8770 11.4060 2.2490 N.ar 3 A6 -0.6200 87 C2 -1.1620 11.3420 3.3800 C.ar 3 A6 0.4700 88 N3 0.1350 11.0710 3.5440 N.ar 3 A6 -0.5670 89 C4 0.7330 10.8410 2.3480 C.ar 3 A6 0.1054 90 H5' 5.4940 6.9160 1.5940 H 3 A6 0.0800 91 H5'' 4.2270 7.8960 0.7550 H 3 A6 0.0800 92 H4' 5.8950 8.8880 3.1770 H 3 A6 0.0800 93 H3' 3.1450 7.5460 2.8640 H 3 A6 0.0800 94 H2' 2.0650 9.0050 4.3530 H 3 A6 0.0800 95 H1' 3.3390 11.3480 3.5670 H 3 A6 0.0800 96 H8 3.0820 10.1750 0.2160 H 3 A6 0.1500 97 H62 -2.8730 11.4230 -0.2290 H 3 A6 0.4000 98 H61 -1.3550 11.0330 -0.9950 H 3 A6 0.4000 99 H2 -1.7190 11.5350 4.3000 H 3 A6 0.1500 100 P 3.8860 5.8230 4.9110 P.3 4 C7 1.4424 BACKBONE 101 OP1 4.9260 5.0080 5.5820 O.co2 4 C7 -0.9500 BACKBONE 102 OP2 3.1910 5.1620 3.7780 O.co2 4 C7 -0.9500 BACKBONE 103 O5' 2.8420 6.3190 6.0020 O.3 4 C7 -0.5512 BACKBONE 104 C5' 1.5830 5.6710 6.1670 C.3 4 C7 0.1200 BACKBONE 105 C4' 0.5510 6.5960 6.8380 C.3 4 C7 0.2000 BACKBONE 106 O4' 0.3930 7.8360 6.0710 O.3 4 C7 -0.5600 107 C3' -0.8520 5.9790 6.8780 C.3 4 C7 0.2000 BACKBONE 108 O3' -1.0590 5.2200 8.0820 O.3 4 C7 -0.5512 BACKBONE 109 C2' -1.7860 7.1920 6.7490 C.3 4 C7 0.2000 110 O2' -1.9850 7.8440 8.0060 O.3 4 C7 -0.6800 111 HO2' -1.7640 7.1650 8.6540 H 4 C7 0.4000 112 C1' -0.9850 8.1040 5.7770 C.3 4 C7 0.5001 113 N1 -1.2650 7.9890 4.2780 N.am 4 C7 -0.4691 114 C2 -2.5950 8.2820 3.7750 C.2 4 C7 0.8410 115 O2 -3.5400 8.5980 4.5230 O.2 4 C7 -0.5700 116 N3 -2.8130 8.1910 2.4160 N.2 4 C7 -0.6610 117 C4 -1.8320 7.8570 1.5490 C.2 4 C7 0.4856 118 N4 -2.0950 7.7780 0.2180 N.pl3 4 C7 -0.8500 119 C5 -0.5060 7.5810 2.0280 C.2 4 C7 -0.1356 120 C6 -0.2720 7.6570 3.3460 C.2 4 C7 -0.0410 121 H5' 1.7190 4.7690 6.8060 H 4 C7 0.0800 122 H5'' 1.1710 5.3450 5.1820 H 4 C7 0.0800 123 H4' 0.8950 6.8880 7.8550 H 4 C7 0.0800 124 H3' -1.0100 5.3540 5.9650 H 4 C7 0.0800 125 H2' -2.7700 6.8990 6.3340 H 4 C7 0.0800 126 H1' -1.1300 9.1700 6.0590 H 4 C7 0.0800 127 H42 -3.0250 7.9890 -0.0900 H 4 C7 0.4000 128 H41 -1.3740 7.5390 -0.4300 H 4 C7 0.4000 129 H5 0.2840 7.3130 1.3270 H 4 C7 0.1500 130 H6 0.7290 7.4490 3.7200 H 4 C7 0.1500 131 P -1.6200 3.7320 8.0690 P.3 5 U8 1.4424 BACKBONE 132 OP1 -1.6420 3.2400 9.4660 O.co2 5 U8 -0.9500 BACKBONE 133 OP2 -0.8510 2.9280 7.0840 O.co2 5 U8 -0.9500 BACKBONE 134 O5' -3.1060 3.9270 7.5280 O.3 5 U8 -0.5512 BACKBONE 135 C5' -4.1450 4.3940 8.4000 C.3 5 U8 0.1200 BACKBONE 136 C4' -5.5190 4.5500 7.7020 C.3 5 U8 0.2000 BACKBONE 137 O4' -5.4680 5.5890 6.6670 O.3 5 U8 -0.5600 138 C3' -6.0070 3.3090 6.9500 C.3 5 U8 0.2000 BACKBONE 139 O3' -6.5410 2.2900 7.8090 O.3 5 U8 -0.5512 BACKBONE 140 C2' -6.9820 3.8870 5.9160 C.3 5 U8 0.2000 141 O2' -8.3000 4.0970 6.4190 O.3 5 U8 -0.6800 142 HO2' -8.8604 3.5044 5.9056 H 5 U8 0.4000 143 C1' -6.3090 5.2280 5.5510 C.3 5 U8 0.5001 144 N1 -5.5190 5.1930 4.2620 N.am 5 U8 -0.4691 145 C2 -6.2630 5.3500 3.0480 C.2 5 U8 0.6900 146 O2 -7.4850 5.5120 2.9680 O.2 5 U8 -0.5700 147 N3 -5.4810 5.3020 1.8870 N.am 5 U8 -0.4900 148 C4 -4.0940 5.1210 1.7840 C.2 5 U8 0.6156 149 O4 -3.5470 5.1020 0.6750 O.2 5 U8 -0.5700 150 C5 -3.4170 4.9640 3.0590 C.2 5 U8 -0.1356 151 C6 -4.1280 5.0020 4.2060 C.2 5 U8 -0.0410 152 H5' -3.8640 5.3800 8.8350 H 5 U8 0.0800 153 H5'' -4.2720 3.6740 9.2410 H 5 U8 0.0800 154 H4' -6.2780 4.8750 8.4480 H 5 U8 0.0800 155 H3' -5.1360 2.9040 6.3900 H 5 U8 0.0800 156 H2' -7.0540 3.2180 5.0360 H 5 U8 0.0800 157 H1' -7.1020 6.0070 5.4760 H 5 U8 0.0800 158 H3 -6.0070 5.4170 1.0220 H 5 U8 0.3700 159 H5 -2.3380 4.8190 3.0720 H 5 U8 0.1500 160 H6 -3.6240 4.8850 5.1650 H 5 U8 0.1500 161 P -6.7610 0.8050 7.2750 P.3 6 G9 1.4424 BACKBONE 162 OP1 -6.8130 -0.1330 8.4170 O.co2 6 G9 -0.9500 BACKBONE 163 OP2 -5.7710 0.4960 6.2110 O.co2 6 G9 -0.9500 BACKBONE 164 O5' -8.2100 0.9500 6.6330 O.3 6 G9 -0.5512 BACKBONE 165 C5' -8.6350 0.0680 5.5970 C.3 6 G9 0.1200 BACKBONE 166 C4' -9.8920 0.6000 4.8820 C.3 6 G9 0.2000 BACKBONE 167 O4' -9.6390 1.9090 4.2620 O.3 6 G9 -0.5600 168 C3' -10.3150 -0.2910 3.7100 C.3 6 G9 0.2000 BACKBONE 169 O3' -11.1380 -1.3780 4.1370 O.3 6 G9 -0.5512 BACKBONE 170 C2' -11.0420 0.6810 2.7770 C.3 6 G9 0.2000 171 O2' -12.4020 0.9110 3.1680 O.3 6 G9 -0.6800 172 HO2' -12.7020 0.0540 3.4910 H 6 G9 0.4000 173 C1' -10.1850 1.9610 2.9340 C.3 6 G9 0.4556 174 N9 -9.0530 2.1580 1.9650 N.pl3 6 G9 0.0476 175 C8 -7.7100 2.2570 2.2150 C.2 6 G9 0.0365 176 N7 -6.9620 2.4510 1.1560 N.2 6 G9 -0.5653 177 C5 -7.8540 2.4930 0.1150 C.2 6 G9 0.1412 178 C6 -7.6040 2.6750 -1.2550 C.2 6 G9 0.7160 179 O6 -6.4970 2.8470 -1.7760 O.2 6 G9 -0.5700 180 N1 -8.7990 2.6550 -2.0080 N.am 6 G9 -0.4900 181 C2 -10.0870 2.4830 -1.5010 C.2 6 G9 0.5600 182 N2 -11.0530 2.5030 -2.4450 N.pl3 6 G9 -0.8500 183 N3 -10.2950 2.3070 -0.1800 N.2 6 G9 -0.5760 184 C4 -9.1640 2.3200 0.5730 C.2 6 G9 -0.0256 185 H5' -8.8730 -0.9270 6.0390 H 6 G9 0.0800 186 H5'' -7.8290 -0.0700 4.8410 H 6 G9 0.0800 187 H4' -10.7240 0.7330 5.6070 H 6 G9 0.0800 188 H3' -9.4030 -0.6550 3.1720 H 6 G9 0.0800 189 H2' -11.0290 0.3250 1.7310 H 6 G9 0.0800 190 H1' -10.8510 2.8440 2.8420 H 6 G9 0.0800 191 H8 -7.3590 2.1690 3.2410 H 6 G9 0.1500 192 H1 -8.6870 2.7750 -3.0060 H 6 G9 0.3700 193 H21 -10.8330 2.6320 -3.4100 H 6 G9 0.4000 194 H22 -11.9990 2.3840 -2.1510 H 6 G9 0.4000 195 P -10.9130 -2.8770 3.6620 P.3 7 G10 1.4424 BACKBONE 196 OP1 -11.8990 -3.7210 4.3800 O.co2 7 G10 -0.9500 BACKBONE 197 OP2 -9.4800 -3.2280 3.7980 O.co2 7 G10 -0.9500 BACKBONE 198 O5' -11.2750 -2.8160 2.1160 O.3 7 G10 -0.5512 BACKBONE 199 C5' -12.6350 -2.6790 1.6940 C.3 7 G10 0.1200 BACKBONE 200 C4' -12.7620 -2.2380 0.2220 C.3 7 G10 0.2000 BACKBONE 201 O4' -11.9690 -1.0330 -0.0360 O.3 7 G10 -0.5600 202 C3' -12.2420 -3.2360 -0.8140 C.3 7 G10 0.2000 BACKBONE 203 O3' -13.1540 -4.3180 -1.0550 O.3 7 G10 -0.5512 BACKBONE 204 C2' -12.0250 -2.3350 -2.0390 C.3 7 G10 0.2000 205 O2' -13.2320 -2.0570 -2.7530 O.3 7 G10 -0.6800 206 HO2' -13.6330 -2.9230 -2.8770 H 7 G10 0.4000 207 C1' -11.4630 -1.0570 -1.3780 C.3 7 G10 0.4556 208 N9 -9.9750 -0.9200 -1.4140 N.pl3 7 G10 0.0476 209 C8 -9.0740 -0.7800 -0.3970 C.2 7 G10 0.0365 210 N7 -7.8280 -0.6500 -0.7890 N.2 7 G10 -0.5653 211 C5 -7.8910 -0.7040 -2.1600 C.2 7 G10 0.1412 212 C6 -6.8520 -0.6240 -3.1020 C.2 7 G10 0.7160 213 O6 -5.6550 -0.4720 -2.8450 O.2 7 G10 -0.5700 214 N1 -7.3420 -0.7290 -4.4330 N.am 7 G10 -0.4900 215 C2 -8.6740 -0.8840 -4.8030 C.2 7 G10 0.5600 216 N2 -8.8570 -0.9480 -6.1390 N.pl3 7 G10 -0.8500 217 N3 -9.6400 -0.9560 -3.8700 N.2 7 G10 -0.5760 218 C4 -9.2040 -0.8650 -2.5870 C.2 7 G10 -0.0256 219 H5' -13.1650 -1.9220 2.3180 H 7 G10 0.0800 220 H5'' -13.1630 -3.6510 1.8260 H 7 G10 0.0800 221 H4' -13.8260 -1.9880 0.0090 H 7 G10 0.0800 222 H3' -11.2450 -3.6140 -0.4730 H 7 G10 0.0800 223 H2' -11.2990 -2.7930 -2.7420 H 7 G10 0.0800 224 H1' -11.8420 -0.1440 -1.8650 H 7 G10 0.0800 225 H8 -9.4330 -0.7840 0.6310 H 7 G10 0.1500 226 H1 -6.6750 -0.6750 -5.1840 H 7 G10 0.3700 227 H21 -8.0760 -0.8890 -6.7590 H 7 G10 0.4000 228 H22 -9.7830 -1.0650 -6.4900 H 7 G10 0.4000 229 P -12.6150 -5.7630 -1.4520 P.3 8 G11 1.4424 BACKBONE 230 OP1 -13.7740 -6.6660 -1.6120 O.co2 8 G11 -0.9500 BACKBONE 231 OP2 -11.5520 -6.1730 -0.5030 O.co2 8 G11 -0.9500 BACKBONE 232 O5' -12.0030 -5.4700 -2.8900 O.3 8 G11 -0.5512 BACKBONE 233 C5' -11.0920 -6.3800 -3.4960 C.3 8 G11 0.1200 BACKBONE 234 C4' -10.9400 -6.1060 -5.0100 C.3 8 G11 0.2000 BACKBONE 235 O4' -10.4350 -4.7390 -5.2620 O.3 8 G11 -0.5600 236 C3' -9.9230 -7.0540 -5.6770 C.3 8 G11 0.2000 BACKBONE 237 O3' -10.5690 -8.1790 -6.2980 O.3 8 G11 -0.5512 BACKBONE 238 C2' -9.1740 -6.1560 -6.6770 C.3 8 G11 0.2000 239 O2' -9.8340 -6.0740 -7.9430 O.3 8 G11 -0.6800 240 HO2' -10.5050 -6.7640 -7.9010 H 8 G11 0.4000 241 C1' -9.1910 -4.7790 -5.9740 C.3 8 G11 0.4556 242 N9 -8.0700 -4.4240 -5.0530 N.pl3 8 G11 0.0476 243 C8 -8.1100 -4.0280 -3.7380 C.2 8 G11 0.0365 244 N7 -6.9320 -3.7570 -3.2250 N.2 8 G11 -0.5653 245 C5 -6.0470 -3.9610 -4.2540 C.2 8 G11 0.1412 246 C6 -4.6490 -3.8210 -4.2570 C.2 8 G11 0.7160 247 O6 -3.9550 -3.4690 -3.2990 O.2 8 G11 -0.5700 248 N1 -4.0990 -4.1390 -5.5210 N.am 8 G11 -0.4900 249 C2 -4.8070 -4.5400 -6.6510 C.2 8 G11 0.5600 250 N2 -4.0090 -4.7740 -7.7160 N.pl3 8 G11 -0.8500 251 N3 -6.1480 -4.6600 -6.6140 N.2 8 G11 -0.5760 252 C4 -6.7100 -4.3700 -5.4080 C.2 8 G11 -0.0256 253 H5' -11.4470 -7.4310 -3.3660 H 8 G11 0.0800 254 H5'' -10.1010 -6.2860 -3.0010 H 8 G11 0.0800 255 H4' -11.9290 -6.1780 -5.5120 H 8 G11 0.0800 256 H3' -9.1690 -7.3860 -4.9210 H 8 G11 0.0800 257 H2' -8.1390 -6.5060 -6.8350 H 8 G11 0.0800 258 H1' -9.1330 -3.9810 -6.7420 H 8 G11 0.0800 259 H8 -9.0750 -3.9560 -3.2180 H 8 G11 0.1500 260 H1 -3.0960 -4.0660 -5.6110 H 8 G11 0.3700 261 H21 -3.0190 -4.6560 -7.6460 H 8 G11 0.4000 262 H22 -4.4310 -5.0670 -8.5700 H 8 G11 0.4000 263 P -10.2260 -9.6980 -5.9490 P.3 9 C12 1.4424 BACKBONE 264 OP1 -11.1410 -10.5630 -6.7310 O.co2 9 C12 -0.9500 BACKBONE 265 OP2 -10.2150 -9.8680 -4.4790 O.co2 9 C12 -0.9500 BACKBONE 266 O5' -8.7340 -9.8710 -6.4630 O.3 9 C12 -0.5512 BACKBONE 267 C5' -8.4070 -9.8080 -7.8510 C.3 9 C12 0.1200 BACKBONE 268 C4' -6.9270 -9.4430 -8.0880 C.3 9 C12 0.2000 BACKBONE 269 O4' -6.5640 -8.2330 -7.3530 O.3 9 C12 -0.5600 270 C3' -5.9040 -10.4620 -7.5930 C.3 9 C12 0.2000 BACKBONE 271 O3' -5.7810 -11.5960 -8.4620 O.3 9 C12 -0.5512 BACKBONE 272 C2' -4.6160 -9.6200 -7.5140 C.3 9 C12 0.2000 273 O2' -3.9600 -9.5180 -8.7850 O.3 9 C12 -0.6800 274 HO2' -4.1900 -10.3440 -9.2280 H 9 C12 0.4000 275 C1' -5.1560 -8.2280 -7.0660 C.3 9 C12 0.5001 276 N1 -4.8210 -7.7300 -5.6670 N.am 9 C12 -0.4691 277 C2 -3.4290 -7.5470 -5.2930 C.2 9 C12 0.8410 278 O2 -2.4810 -7.8070 -6.0610 O.2 9 C12 -0.5700 279 N3 -3.1480 -7.0520 -4.0400 N.2 9 C12 -0.6610 280 C4 -4.1170 -6.7370 -3.1580 C.2 9 C12 0.4856 281 N4 -3.7940 -6.2580 -1.9270 N.pl3 9 C12 -0.8500 282 C5 -5.5010 -6.8950 -3.5230 C.2 9 C12 -0.1356 283 C6 -5.8010 -7.3760 -4.7390 C.2 9 C12 -0.0410 284 H5' -9.0290 -9.0420 -8.3700 H 9 C12 0.0800 285 H5'' -8.6180 -10.7940 -8.3230 H 9 C12 0.0800 286 H4' -6.7730 -9.2380 -9.1730 H 9 C12 0.0800 287 H3' -6.1770 -10.7640 -6.5530 H 9 C12 0.0800 288 H2' -3.9070 -10.0430 -6.7790 H 9 C12 0.0800 289 H1' -4.7920 -7.4390 -7.7370 H 9 C12 0.0800 290 H42 -2.8200 -6.1540 -1.6900 H 9 C12 0.4000 291 H41 -4.5120 -6.0240 -1.2730 H 9 C12 0.4000 292 H5 -6.2810 -6.6400 -2.8090 H 9 C12 0.1500 293 H6 -6.8400 -7.5060 -5.0370 H 9 C12 0.1500 294 P -6.1230 -13.0860 -8.0160 P.3 10 G13 1.4424 BACKBONE 295 OP1 -5.8200 -13.9670 -9.1660 O.co2 10 G13 -0.9500 BACKBONE 296 OP2 -7.5060 -13.1450 -7.4860 O.co2 10 G13 -0.9500 BACKBONE 297 O5' -5.0540 -13.3690 -6.8670 O.3 10 G13 -0.5512 BACKBONE 298 C5' -5.3240 -13.2710 -5.4710 C.3 10 G13 0.1200 BACKBONE 299 C4' -4.0550 -12.8510 -4.6960 C.3 10 G13 0.2000 BACKBONE 300 O4' -3.9130 -11.3870 -4.6370 O.3 10 G13 -0.5600 301 C3' -4.0620 -13.2140 -3.2140 C.3 10 G13 0.2000 BACKBONE 302 O3' -3.9040 -14.6130 -2.9290 O.3 10 G13 -0.5512 BACKBONE 303 C2' -2.9130 -12.3410 -2.6800 C.3 10 G13 0.2000 304 O2' -1.6030 -12.8040 -3.0250 O.3 10 G13 -0.6800 305 HO2' -1.1696 -13.0194 -2.1923 H 10 G13 0.4000 306 C1' -3.2570 -11.0050 -3.3980 C.3 10 G13 0.4556 307 N9 -4.1570 -10.1720 -2.5270 N.pl3 10 G13 0.0476 308 C8 -5.4870 -9.8890 -2.6680 C.2 10 G13 0.0365 309 N7 -6.0000 -9.1710 -1.6920 N.2 10 G13 -0.5653 310 C5 -4.9530 -8.9610 -0.8230 C.2 10 G13 0.1412 311 C6 -4.9330 -8.2470 0.4020 C.2 10 G13 0.7160 312 O6 -5.8830 -7.6500 0.9200 O.2 10 G13 -0.5700 313 N1 -3.6400 -8.2750 0.9870 N.am 10 G13 -0.4900 314 C2 -2.5130 -8.9110 0.4690 C.2 10 G13 0.5600 315 N2 -1.4240 -8.7770 1.2470 N.pl3 10 G13 -0.8500 316 N3 -2.5630 -9.5760 -0.7040 N.2 10 G13 -0.5760 317 C4 -3.7890 -9.5730 -1.3000 C.2 10 G13 -0.0256 318 H5' -5.6410 -14.2790 -5.1190 H 10 G13 0.0800 319 H5'' -6.1570 -12.5670 -5.2490 H 10 G13 0.0800 320 H4' -3.1530 -13.2750 -5.1920 H 10 G13 0.0800 321 H3' -5.0180 -12.8110 -2.7790 H 10 G13 0.0800 322 H2' -2.9720 -12.2440 -1.5750 H 10 G13 0.0800 323 H1' -2.3400 -10.4350 -3.6490 H 10 G13 0.0800 324 H8 -6.0050 -10.2500 -3.5640 H 10 G13 0.1500 325 H1 -3.5270 -7.7920 1.8610 H 10 G13 0.3700 326 H22 -1.4710 -8.2530 2.0980 H 10 G13 0.4000 327 H21 -0.5700 -9.1960 0.9310 H 10 G13 0.4000 328 P -4.9120 -15.3080 -1.9030 P.3 11 A14 1.4424 BACKBONE 329 OP1 -4.5620 -16.7410 -1.8090 O.co2 11 A14 -0.9500 BACKBONE 330 OP2 -6.3080 -14.9710 -2.2660 O.co2 11 A14 -0.9500 BACKBONE 331 O5' -4.5140 -14.5950 -0.5340 O.3 11 A14 -0.5512 BACKBONE 332 C5' -5.2560 -14.8430 0.6650 C.3 11 A14 0.1200 BACKBONE 333 C4' -4.3510 -15.0640 1.9020 C.3 11 A14 0.2000 BACKBONE 334 O4' -3.3810 -16.1370 1.6530 O.3 11 A14 -0.5600 335 C3' -3.5070 -13.8550 2.3290 C.3 11 A14 0.2000 BACKBONE 336 O3' -4.2370 -12.9810 3.2060 O.3 11 A14 -0.5512 BACKBONE 337 C2' -2.2850 -14.5010 3.0020 C.3 11 A14 0.2000 338 O2' -2.5200 -14.8280 4.3740 O.3 11 A14 -0.6800 339 HO2' -3.2000 -14.2060 4.6520 H 11 A14 0.4000 340 C1' -2.0860 -15.7890 2.1700 C.3 11 A14 0.4556 341 N9 -1.0860 -15.7130 1.0460 N.pl3 11 A14 0.0476 342 C8 -1.2910 -15.8190 -0.3090 C.2 11 A14 0.0365 343 N7 -0.2060 -15.7330 -1.0430 N.2 11 A14 -0.5653 344 C5 0.8030 -15.5490 -0.1290 C.ar 11 A14 0.2272 345 C6 2.1940 -15.3900 -0.3280 C.ar 11 A14 0.4100 346 N6 2.7170 -15.4010 -1.5850 N.pl3 11 A14 -0.9000 347 N1 2.9420 -15.2320 0.8040 N.ar 11 A14 -0.6200 348 C2 2.3450 -15.2380 1.9970 C.ar 11 A14 0.4700 349 N3 1.0540 -15.3850 2.2970 N.ar 11 A14 -0.5670 350 C4 0.3130 -15.5360 1.1700 C.ar 11 A14 0.1054 351 H5' -5.9070 -15.7430 0.5670 H 11 A14 0.0800 352 H5'' -5.9220 -13.9720 0.8560 H 11 A14 0.0800 353 H4' -4.9820 -15.4020 2.7540 H 11 A14 0.0800 354 H3' -3.1500 -13.3230 1.4120 H 11 A14 0.0800 355 H2' -1.3970 -13.8430 2.9440 H 11 A14 0.0800 356 H1' -1.7860 -16.6190 2.8470 H 11 A14 0.0800 357 H8 -2.3040 -15.9700 -0.6800 H 11 A14 0.1500 358 H62 3.7000 -15.2840 -1.7090 H 11 A14 0.4000 359 H61 2.1030 -15.5110 -2.3640 H 11 A14 0.4000 360 H2 3.0080 -15.1070 2.8540 H 11 A14 0.1500 361 P -4.3400 -11.4090 2.9710 P.3 12 G15 1.4424 BACKBONE 362 OP1 -5.3320 -10.8550 3.9220 O.co2 12 G15 -0.9500 BACKBONE 363 OP2 -4.5840 -11.1630 1.5340 O.co2 12 G15 -0.9500 BACKBONE 364 O5' -2.8680 -10.9140 3.3730 O.3 12 G15 -0.5512 BACKBONE 365 C5' -2.4710 -10.9060 4.7560 C.3 12 G15 0.1200 BACKBONE 366 C4' -0.9360 -10.8550 4.9960 C.3 12 G15 0.2000 BACKBONE 367 O4' -0.2560 -11.9730 4.3330 O.3 12 G15 -0.5600 368 C3' -0.2290 -9.6100 4.4550 C.3 12 G15 0.2000 BACKBONE 369 O3' -0.3210 -8.4820 5.3450 O.3 12 G15 -0.5512 BACKBONE 370 C2' 1.2100 -10.0830 4.2110 C.3 12 G15 0.2000 371 O2' 2.0040 -10.0490 5.4000 O.3 12 G15 -0.6800 372 HO2' 1.8070 -9.1880 5.7830 H 12 G15 0.4000 373 C1' 0.9780 -11.5360 3.7290 C.3 12 G15 0.4556 374 N9 0.8960 -11.7420 2.2390 N.pl3 12 G15 0.0476 375 C8 -0.2140 -11.8830 1.4510 C.2 12 G15 0.0365 376 N7 0.0270 -12.0720 0.1780 N.2 12 G15 -0.5653 377 C5 1.3930 -12.0540 0.0850 C.2 12 G15 0.1412 378 C6 2.1960 -12.2070 -1.0570 C.2 12 G15 0.7160 379 O6 1.7880 -12.3890 -2.2090 O.2 12 G15 -0.5700 380 N1 3.5740 -12.1300 -0.7360 N.am 12 G15 -0.4900 381 C2 4.1080 -11.9310 0.5390 C.2 12 G15 0.5600 382 N2 5.4620 -11.9020 0.5500 N.pl3 12 G15 -0.8500 383 N3 3.3070 -11.7880 1.6190 N.2 12 G15 -0.5760 384 C4 1.9770 -11.8550 1.3410 C.2 12 G15 -0.0256 385 H5' -2.8490 -11.8170 5.2760 H 12 G15 0.0800 386 H5'' -2.9320 -10.0250 5.2550 H 12 G15 0.0800 387 H4' -0.7340 -10.9590 6.0860 H 12 G15 0.0800 388 H3' -0.6710 -9.3930 3.4590 H 12 G15 0.0800 389 H2' 1.7030 -9.4770 3.4260 H 12 G15 0.0800 390 H1' 1.7940 -12.1790 4.1230 H 12 G15 0.0800 391 H8 -1.1950 -11.8330 1.9120 H 12 G15 0.1500 392 H1 4.2040 -12.2300 -1.5140 H 12 G15 0.3700 393 H21 5.9840 -12.0140 -0.2920 H 12 G15 0.4000 394 H22 5.9150 -11.7600 1.4280 H 12 G15 0.4000 395 P -0.6820 -7.0580 4.7320 P.3 13 A16 1.4424 BACKBONE 396 OP1 -2.0780 -7.0870 4.2490 O.co2 13 A16 -0.9500 BACKBONE 397 OP2 0.3340 -6.6780 3.7180 O.co2 13 A16 -0.9500 BACKBONE 398 O5' -0.6360 -6.0690 5.9690 O.3 13 A16 -0.5512 BACKBONE 399 C5' 0.5340 -5.6470 6.6580 C.3 13 A16 0.1200 BACKBONE 400 C4' 1.3660 -4.5750 5.9000 C.3 13 A16 0.2000 BACKBONE 401 O4' 0.5050 -3.4970 5.3980 O.3 13 A16 -0.5600 402 C3' 2.4170 -3.8710 6.7780 C.3 13 A16 0.2000 BACKBONE 403 O3' 3.5880 -3.6100 5.9930 O.3 13 A16 -0.5512 BACKBONE 404 C2' 1.6900 -2.5790 7.2010 C.3 13 A16 0.2000 405 O2' 2.5770 -1.5420 7.6130 O.3 13 A16 -0.6800 406 HO2' 3.3780 -1.6900 7.0930 H 13 A16 0.4000 407 C1' 0.9350 -2.2400 5.9020 C.3 13 A16 0.4556 408 N9 -0.2890 -1.3870 5.9440 N.pl3 13 A16 0.0476 409 C8 -1.3470 -1.3670 6.8180 C.2 13 A16 0.0365 410 N7 -2.2880 -0.5010 6.5110 N.2 13 A16 -0.5653 411 C5 -1.8360 0.0910 5.3570 C.ar 13 A16 0.2272 412 C6 -2.4070 1.1000 4.5490 C.ar 13 A16 0.4100 413 N6 -3.5970 1.6640 4.8510 N.pl3 13 A16 -0.9000 414 N1 -1.6900 1.4630 3.4500 N.ar 13 A16 -0.6200 415 C2 -0.5320 0.8710 3.1970 C.ar 13 A16 0.4700 416 N3 0.0970 -0.0740 3.8780 N.ar 13 A16 -0.5670 417 C4 -0.6170 -0.4360 4.9720 C.ar 13 A16 0.1054 418 H5' 1.1860 -6.5200 6.8830 H 13 A16 0.0800 419 H5'' 0.2060 -5.2250 7.6330 H 13 A16 0.0800 420 H4' 1.8360 -5.0530 5.0170 H 13 A16 0.0800 421 H3' 2.6600 -4.4640 7.6890 H 13 A16 0.0800 422 H2' 0.9690 -2.7960 8.0190 H 13 A16 0.0800 423 H1' 1.6550 -1.8360 5.1530 H 13 A16 0.0800 424 H8 -1.3510 -2.0430 7.6750 H 13 A16 0.1500 425 H62 -3.9600 2.3780 4.2560 H 13 A16 0.4000 426 H61 -4.1080 1.3740 5.6710 H 13 A16 0.4000 427 H2 -0.0020 1.2180 2.3210 H 13 A16 0.1500 428 P 5.0190 -4.2450 6.2630 P.3 14 A17 1.4424 BACKBONE 429 OP1 4.9550 -5.2830 7.3200 O.co2 14 A17 -0.9500 BACKBONE 430 OP2 5.9470 -3.1090 6.4710 O.co2 14 A17 -0.9500 BACKBONE 431 O5' 5.3700 -4.9270 4.8730 O.3 14 A17 -0.5512 BACKBONE 432 C5' 4.5720 -5.9680 4.3140 C.3 14 A17 0.1200 BACKBONE 433 C4' 5.2750 -6.6710 3.1390 C.3 14 A17 0.2000 BACKBONE 434 O4' 4.4220 -7.7540 2.6600 O.3 14 A17 -0.5600 435 C3' 5.4810 -5.8220 1.8780 C.3 14 A17 0.2000 BACKBONE 436 O3' 6.6270 -4.9630 1.9800 O.3 14 A17 -0.5512 BACKBONE 437 C2' 5.6080 -6.8870 0.7750 C.3 14 A17 0.2000 438 O2' 6.9580 -7.3140 0.5850 O.3 14 A17 -0.6800 439 HO2' 7.4640 -6.5180 0.7850 H 14 A17 0.4000 440 C1' 4.7200 -8.0490 1.2870 C.3 14 A17 0.4556 441 N9 3.4460 -8.3050 0.5340 N.pl3 14 A17 0.0476 442 C8 2.1400 -8.2020 0.9580 C.2 14 A17 0.0365 443 N7 1.2500 -8.5160 0.0540 N.2 14 A17 -0.5653 444 C5 1.9820 -8.8610 -1.0480 C.ar 14 A17 0.2272 445 C6 1.5560 -9.2860 -2.3220 C.ar 14 A17 0.4100 446 N6 0.2360 -9.4090 -2.6180 N.pl3 14 A17 -0.9000 447 N1 2.5500 -9.5550 -3.2210 N.ar 14 A17 -0.6200 448 C2 3.8230 -9.4100 -2.8660 C.ar 14 A17 0.4700 449 N3 4.3310 -9.0260 -1.6940 N.ar 14 A17 -0.5670 450 C4 3.3400 -8.7520 -0.8040 C.ar 14 A17 0.1054 451 H5' 3.6060 -5.5460 3.9560 H 14 A17 0.0800 452 H5'' 4.3470 -6.7350 5.0920 H 14 A17 0.0800 453 H4' 6.2340 -7.1180 3.4810 H 14 A17 0.0800 454 H3' 4.5470 -5.2390 1.6890 H 14 A17 0.0800 455 H2' 5.2340 -6.5110 -0.1890 H 14 A17 0.0800 456 H1' 5.3100 -8.9890 1.2580 H 14 A17 0.0800 457 H8 1.8960 -7.8760 1.9710 H 14 A17 0.1500 458 H62 -0.0100 -9.7280 -3.5300 H 14 A17 0.4000 459 H61 -0.4730 -9.2170 -1.9360 H 14 A17 0.4000 460 H2 4.5560 -9.6490 -3.6390 H 14 A17 0.1500 461 P 6.6510 -3.4540 1.4950 P.3 15 G18 1.4424 BACKBONE 462 OP1 7.7620 -2.7480 2.1730 O.co2 15 G18 -0.9500 BACKBONE 463 OP2 5.3140 -2.8550 1.7010 O.co2 15 G18 -0.9500 BACKBONE 464 O5' 6.9830 -3.5860 -0.0570 O.3 15 G18 -0.5512 BACKBONE 465 C5' 6.1940 -3.0410 -1.1170 C.3 15 G18 0.1200 BACKBONE 466 C4' 6.3260 -3.8930 -2.4030 C.3 15 G18 0.2000 BACKBONE 467 O4' 5.8600 -5.2570 -2.1310 O.3 15 G18 -0.5600 468 C3' 5.4680 -3.4240 -3.6020 C.3 15 G18 0.2000 BACKBONE 469 O3' 6.1590 -2.5360 -4.4910 O.3 15 G18 -0.5512 BACKBONE 470 C2' 5.0730 -4.7390 -4.2990 C.3 15 G18 0.2000 471 O2' 6.0850 -5.2330 -5.1810 O.3 15 G18 -0.6800 472 HO2' 6.4870 -4.4380 -5.5480 H 15 G18 0.4000 473 C1' 4.8830 -5.6700 -3.0870 C.3 15 G18 0.4556 474 N9 3.5110 -5.6410 -2.4730 N.pl3 15 G18 0.0476 475 C8 3.1280 -5.2760 -1.2130 C.2 15 G18 0.0365 476 N7 1.8460 -5.3710 -0.9770 N.2 15 G18 -0.5653 477 C5 1.3160 -5.8320 -2.1470 C.2 15 G18 0.1412 478 C6 -0.0230 -6.1180 -2.4410 C.2 15 G18 0.7160 479 O6 -0.9680 -5.9790 -1.6540 O.2 15 G18 -0.5700 480 N1 -0.1690 -6.5730 -3.7730 N.am 15 G18 -0.4900 481 C2 0.8700 -6.7360 -4.6980 C.2 15 G18 0.5600 482 N2 0.4370 -7.1900 -5.8890 N.pl3 15 G18 -0.8500 483 N3 2.1510 -6.4540 -4.3810 N.2 15 G18 -0.5760 484 C4 2.3130 -6.0140 -3.1090 C.2 15 G18 -0.0256 485 H5' 6.5470 -2.0090 -1.3350 H 15 G18 0.0800 486 H5'' 5.1210 -2.9800 -0.8290 H 15 G18 0.0800 487 H4' 7.3940 -3.9720 -2.6990 H 15 G18 0.0800 488 H3' 4.5310 -2.9580 -3.2090 H 15 G18 0.0800 489 H2' 4.1330 -4.6160 -4.8750 H 15 G18 0.0800 490 H1' 5.1340 -6.7270 -3.3310 H 15 G18 0.0800 491 H8 3.8780 -4.9360 -0.5010 H 15 G18 0.1500 492 H1 -1.1160 -6.7940 -4.0540 H 15 G18 0.3700 493 H22 -0.5400 -7.3670 -6.0190 H 15 G18 0.4000 494 H21 1.0970 -7.3450 -6.6180 H 15 G18 0.4000 495 P 5.4620 -1.2520 -5.1310 P.3 16 U19 1.4424 BACKBONE 496 OP1 6.4740 -0.4990 -5.9080 O.co2 16 U19 -0.9500 BACKBONE 497 OP2 4.7490 -0.5020 -4.0720 O.co2 16 U19 -0.9500 BACKBONE 498 O5' 4.3610 -1.8300 -6.1040 O.3 16 U19 -0.5512 BACKBONE 499 C5' 4.5800 -2.4430 -7.3680 C.3 16 U19 0.1200 BACKBONE 500 C4' 3.2640 -3.0150 -7.9670 C.3 16 U19 0.2000 BACKBONE 501 O4' 2.6190 -3.9140 -6.9980 O.3 16 U19 -0.5600 502 C3' 2.2040 -1.9540 -8.3200 C.3 16 U19 0.2000 BACKBONE 503 O3' 2.3440 -1.4800 -9.6700 O.3 16 U19 -0.5512 BACKBONE 504 C2' 0.8620 -2.6450 -8.0150 C.3 16 U19 0.2000 505 O2' 0.2070 -3.2210 -9.1450 O.3 16 U19 -0.6800 506 HO2' -0.5372 -2.6322 -9.3256 H 16 U19 0.4000 507 C1' 1.1950 -3.7350 -6.9800 C.3 16 U19 0.5001 508 N1 0.6830 -3.4280 -5.5910 N.am 16 U19 -0.4691 509 C2 -0.6520 -3.8410 -5.2590 C.2 16 U19 0.6900 510 O2 -1.4130 -4.4500 -6.0180 O.2 16 U19 -0.5700 511 N3 -1.0610 -3.5000 -3.9520 N.am 16 U19 -0.4900 512 C4 -0.3000 -2.8190 -2.9810 C.2 16 U19 0.6156 513 O4 -0.7670 -2.5810 -1.8690 O.2 16 U19 -0.5700 514 C5 1.0270 -2.4360 -3.4040 C.2 16 U19 -0.1356 515 C6 1.4470 -2.7400 -4.6450 C.2 16 U19 -0.0410 516 H5' 5.3060 -3.2780 -7.2550 H 16 U19 0.0800 517 H5'' 5.0100 -1.7010 -8.0780 H 16 U19 0.0800 518 H4' 3.5000 -3.6230 -8.8660 H 16 U19 0.0800 519 H3' 2.3050 -1.1020 -7.6050 H 16 U19 0.0800 520 H2' 0.1800 -1.8970 -7.5710 H 16 U19 0.0800 521 H1' 0.7690 -4.7030 -7.3220 H 16 U19 0.0800 522 H3 -1.9920 -3.7740 -3.6630 H 16 U19 0.3700 523 H5 1.6750 -1.9020 -2.7110 H 16 U19 0.1500 524 H6 2.4390 -2.4490 -4.9600 H 16 U19 0.1500 525 P 1.6890 -0.1310 -10.2110 P.3 17 U20 1.4424 BACKBONE 526 OP1 2.2530 0.1580 -11.5460 O.co2 17 U20 -0.9500 BACKBONE 527 OP2 1.8100 0.9250 -9.1750 O.co2 17 U20 -0.9500 BACKBONE 528 O5' 0.1640 -0.5580 -10.3990 O.3 17 U20 -0.5512 BACKBONE 529 C5' -0.8820 0.4060 -10.2810 C.3 17 U20 0.1200 BACKBONE 530 C4' -2.2850 -0.2020 -10.5450 C.3 17 U20 0.2000 BACKBONE 531 O4' -2.5240 -1.4030 -9.7240 O.3 17 U20 -0.5600 532 C3' -3.4230 0.7580 -10.1580 C.3 17 U20 0.2000 BACKBONE 533 O3' -3.7820 1.6350 -11.2360 O.3 17 U20 -0.5512 BACKBONE 534 C2' -4.5530 -0.1700 -9.6940 C.3 17 U20 0.2000 535 O2' -5.3050 -0.7160 -10.7800 O.3 17 U20 -0.6800 536 HO2' -5.3990 0.0180 -11.3970 H 17 U20 0.4000 537 C1' -3.7390 -1.2680 -8.9630 C.3 17 U20 0.5001 538 N1 -3.4320 -1.0330 -7.4940 N.am 17 U20 -0.4691 539 C2 -4.5140 -1.1170 -6.5530 C.2 17 U20 0.6900 540 O2 -5.6950 -1.3500 -6.8290 O.2 17 U20 -0.5700 541 N3 -4.1340 -0.9040 -5.2160 N.am 17 U20 -0.4900 542 C4 -2.8390 -0.6340 -4.7290 C.2 17 U20 0.6156 543 O4 -2.6350 -0.4720 -3.5280 O.2 17 U20 -0.5700 544 C5 -1.8140 -0.5680 -5.7370 C.2 17 U20 -0.1356 545 C6 -2.1350 -0.7610 -7.0290 C.2 17 U20 -0.0410 546 H5' -0.7200 1.2370 -11.0070 H 17 U20 0.0800 547 H5'' -0.8630 0.8440 -9.2570 H 17 U20 0.0800 548 H4' -2.3750 -0.5180 -11.6060 H 17 U20 0.0800 549 H3' -3.1020 1.3370 -9.2550 H 17 U20 0.0800 550 H2' -5.2490 0.3510 -9.0050 H 17 U20 0.0800 551 H1' -4.2620 -2.2450 -9.0380 H 17 U20 0.0800 552 H3 -4.8700 -0.9720 -4.5250 H 17 U20 0.3700 553 H5 -0.7870 -0.3600 -5.4350 H 17 U20 0.1500 554 H6 -1.3480 -0.7110 -7.7760 H 17 U20 0.1500 555 P -4.1740 3.1590 -10.9920 P.3 18 U21 1.4424 BACKBONE 556 OP1 -3.8550 3.9250 -12.2130 O.co2 18 U21 -0.9500 BACKBONE 557 OP2 -3.5770 3.6390 -9.7180 O.co2 18 U21 -0.9500 BACKBONE 558 O5' -5.7570 3.0640 -10.8500 O.3 18 U21 -0.5512 BACKBONE 559 C5' -6.4930 4.0880 -10.1760 C.3 18 U21 0.1200 BACKBONE 560 C4' -7.8310 3.5670 -9.5840 C.3 18 U21 0.2000 BACKBONE 561 O4' -7.6560 2.2540 -8.9310 O.3 18 U21 -0.5600 562 C3' -8.3790 4.4780 -8.4620 C.3 18 U21 0.2000 BACKBONE 563 O3' -9.0980 5.6330 -8.8960 O.3 18 U21 -0.5512 BACKBONE 564 C2' -9.0260 3.5050 -7.4500 C.3 18 U21 0.2000 565 O2' -10.3360 3.0500 -7.7980 O.3 18 U21 -0.6800 566 HO2' -10.6110 3.5630 -8.5730 H 18 U21 0.4000 567 C1' -8.0290 2.3190 -7.5440 C.3 18 U21 0.5001 568 N1 -6.8010 2.3610 -6.6460 N.am 18 U21 -0.4691 569 C2 -6.9980 2.2650 -5.2290 C.2 18 U21 0.6900 570 O2 -8.0930 2.1570 -4.6700 O.2 18 U21 -0.5700 571 N3 -5.8070 2.2940 -4.4730 N.am 18 U21 -0.4900 572 C4 -4.4910 2.4160 -4.9610 C.2 18 U21 0.6156 573 O4 -3.5300 2.4410 -4.1930 O.2 18 U21 -0.5700 574 C5 -4.3860 2.5050 -6.3960 C.2 18 U21 -0.1356 575 C6 -5.4970 2.4750 -7.1510 C.2 18 U21 -0.0410 576 H5' -6.7200 4.9150 -10.8850 H 18 U21 0.0800 577 H5'' -5.8860 4.5180 -9.3430 H 18 U21 0.0800 578 H4' -8.5790 3.4210 -10.3900 H 18 U21 0.0800 579 H3' -7.4970 4.8890 -7.9090 H 18 U21 0.0800 580 H2' -9.0540 3.9370 -6.4320 H 18 U21 0.0800 581 H1' -8.5760 1.3780 -7.3300 H 18 U21 0.0800 582 H3 -5.9260 2.2220 -3.4710 H 18 U21 0.3700 583 H5 -3.4020 2.6010 -6.8560 H 18 U21 0.1500 584 H6 -5.3910 2.5420 -8.2250 H 18 U21 0.1500 585 P -10.5760 5.8400 -9.4170 P.3 19 A22 1.4424 BACKBONE 586 OP1 -11.0120 4.5950 -10.0900 O.co2 19 A22 -0.9500 BACKBONE 587 OP2 -10.6490 7.0940 -10.1990 O.co2 19 A22 -0.9500 BACKBONE 588 O5' -11.4220 5.9770 -8.0870 O.3 19 A22 -0.5512 BACKBONE 589 C5' -11.3030 7.0770 -7.1950 C.3 19 A22 0.1200 BACKBONE 590 C4' -11.9150 6.7170 -5.8260 C.3 19 A22 0.2000 BACKBONE 591 O4' -11.1950 5.5850 -5.2220 O.3 19 A22 -0.5600 592 C3' -11.8040 7.8500 -4.7930 C.3 19 A22 0.2000 BACKBONE 593 O3' -12.9030 8.7690 -4.8930 O.3 19 A22 -0.5512 BACKBONE 594 C2' -11.7190 7.0960 -3.4560 C.3 19 A22 0.2000 595 O2' -12.9970 6.7340 -2.9300 O.3 19 A22 -0.6800 596 HO2' -13.4940 7.5590 -2.9270 H 19 A22 0.4000 597 C1' -10.9210 5.8370 -3.8420 C.3 19 A22 0.4556 598 N9 -9.4430 5.9100 -3.6430 N.pl3 19 A22 0.0476 599 C8 -8.4380 6.0360 -4.5700 C.2 19 A22 0.0365 600 N7 -7.2270 6.0650 -4.0660 N.2 19 A22 -0.5653 601 C5 -7.4320 5.9590 -2.7080 C.ar 19 A22 0.2272 602 C6 -6.5080 5.9360 -1.6430 C.ar 19 A22 0.4100 603 N6 -5.1630 6.0230 -1.8690 N.pl3 19 A22 -0.9000 604 N1 -7.0580 5.8100 -0.4020 N.ar 19 A22 -0.6200 605 C2 -8.3810 5.7200 -0.2470 C.ar 19 A22 0.4700 606 N3 -9.3280 5.7280 -1.1720 N.ar 19 A22 -0.5670 607 C4 -8.7830 5.8570 -2.4080 C.ar 19 A22 0.1054 608 H5' -11.8450 7.9530 -7.6170 H 19 A22 0.0800 609 H5'' -10.2350 7.3610 -7.0550 H 19 A22 0.0800 610 H4' -12.9740 6.4040 -5.9490 H 19 A22 0.0800 611 H3' -10.8340 8.3850 -4.9440 H 19 A22 0.0800 612 H2' -11.1870 7.6950 -2.6910 H 19 A22 0.0800 613 H1' -11.3060 4.9890 -3.2440 H 19 A22 0.0800 614 H8 -8.6930 6.0980 -5.6280 H 19 A22 0.1500 615 H62 -4.5410 6.0140 -1.0850 H 19 A22 0.4000 616 H61 -4.8360 6.1280 -2.8070 H 19 A22 0.4000 617 H2 -8.7390 5.6230 0.7800 H 19 A22 0.1500 618 P -12.8480 10.2340 -4.2750 P.3 20 G23 1.4424 BACKBONE 619 OP1 -14.0270 10.9880 -4.7540 O.co2 20 G23 -0.9500 BACKBONE 620 OP2 -11.5100 10.8260 -4.5270 O.co2 20 G23 -0.9500 BACKBONE 621 O5' -13.0430 9.9090 -2.7280 O.3 20 G23 -0.5512 BACKBONE 622 C5' -12.5030 10.7690 -1.7300 C.3 20 G23 0.1200 BACKBONE 623 C4' -12.5750 10.1280 -0.3260 C.3 20 G23 0.2000 BACKBONE 624 O4' -11.7930 8.8820 -0.2680 O.3 20 G23 -0.5600 625 C3' -11.9670 11.0390 0.7520 C.3 20 G23 0.2000 BACKBONE 626 O3' -12.9700 11.8930 1.3230 O.3 20 G23 -0.5512 BACKBONE 627 C2' -11.3180 10.0690 1.7500 C.3 20 G23 0.2000 628 O2' -12.2360 9.6200 2.7470 O.3 20 G23 -0.6800 629 HO2' -12.7670 10.4020 2.9300 H 20 G23 0.4000 630 C1' -10.8770 8.8970 0.8390 C.3 20 G23 0.4556 631 N9 -9.4760 8.9380 0.3090 N.pl3 20 G23 0.0476 632 C8 -9.0470 9.0300 -0.9880 C.2 20 G23 0.0365 633 N7 -7.7450 9.0220 -1.1340 N.2 20 G23 -0.5653 634 C5 -7.2560 8.9120 0.1430 C.2 20 G23 0.1412 635 C6 -5.9200 8.8530 0.5720 C.2 20 G23 0.7160 636 O6 -4.9250 8.8950 -0.1590 O.2 20 G23 -0.5700 637 N1 -5.8300 8.7360 1.9790 N.am 20 G23 -0.4900 638 C2 -6.9040 8.6800 2.8710 C.2 20 G23 0.5600 639 N2 -6.5260 8.5740 4.1670 N.pl3 20 G23 -0.8500 640 N3 -8.1770 8.7320 2.4240 N.2 20 G23 -0.5760 641 C4 -8.2960 8.8490 1.0720 C.2 20 G23 -0.0256 642 H5' -13.0790 11.7230 -1.7170 H 20 G23 0.0800 643 H5'' -11.4380 11.0080 -1.9600 H 20 G23 0.0800 644 H4' -13.6240 9.8620 -0.0730 H 20 G23 0.0800 645 H3' -11.1350 11.6360 0.3010 H 20 G23 0.0800 646 H2' -10.4510 10.5390 2.2570 H 20 G23 0.0800 647 H1' -10.9680 7.9390 1.3980 H 20 G23 0.0800 648 H8 -9.7850 9.0900 -1.7910 H 20 G23 0.1500 649 H1 -4.8880 8.6950 2.3420 H 20 G23 0.3700 650 H22 -5.5580 8.5410 4.4240 H 20 G23 0.4000 651 H21 -7.2420 8.5280 4.8610 H 20 G23 0.4000 652 P -12.7220 13.4190 1.6770 P.3 21 U24 1.4424 BACKBONE 653 OP1 -14.0340 14.0660 1.9050 O.co2 21 U24 -0.9500 BACKBONE 654 OP2 -11.8370 14.0260 0.6500 O.co2 21 U24 -0.9500 BACKBONE 655 O5' -11.9750 13.2820 3.0730 O.3 21 U24 -0.5512 BACKBONE 656 C5' -10.9280 14.1660 3.4720 C.3 21 U24 0.1200 BACKBONE 657 C4' -9.9670 13.4740 4.4630 C.3 21 U24 0.2000 BACKBONE 658 O4' -9.3400 12.3070 3.8350 O.3 21 U24 -0.5600 659 C3' -8.7900 14.3560 4.8930 C.3 21 U24 0.2000 BACKBONE 660 O3' -9.1430 15.1990 6.0030 O.3 21 U24 -0.5512 BACKBONE 661 C2' -7.6810 13.3380 5.2050 C.3 21 U24 0.2000 662 O2' -7.7640 12.8380 6.5420 O.3 21 U24 -0.6800 663 HO2' -7.9720 13.6160 7.0720 H 21 U24 0.4000 664 C1' -7.9510 12.2060 4.1730 C.3 21 U24 0.5001 665 N1 -7.0840 12.1760 2.9190 N.am 21 U24 -0.4691 666 C2 -5.6620 11.9970 3.0770 C.2 21 U24 0.6900 667 O2 -5.0720 11.8800 4.1550 O.2 21 U24 -0.5700 668 N3 -4.9380 11.9550 1.8680 N.am 21 U24 -0.4900 669 C4 -5.4570 12.0630 0.5610 C.2 21 U24 0.6156 670 O4 -4.7060 12.0170 -0.4160 O.2 21 U24 -0.5700 671 C5 -6.8920 12.2330 0.4910 C.2 21 U24 -0.1356 672 C6 -7.6230 12.2760 1.6230 C.2 21 U24 -0.0410 673 H5' -11.3750 15.0560 3.9680 H 21 U24 0.0800 674 H5'' -10.3430 14.5200 2.5920 H 21 U24 0.0800 675 H4' -10.5290 13.1040 5.3490 H 21 U24 0.0800 676 H3' -8.4490 14.9610 4.0150 H 21 U24 0.0800 677 H2' -6.6810 13.7920 5.0590 H 21 U24 0.0800 678 H1' -7.8620 11.2120 4.6670 H 21 U24 0.0800 679 H3 -3.9380 11.8330 1.9590 H 21 U24 0.3700 680 H5 -7.3590 12.3250 -0.4880 H 21 U24 0.1500 681 H6 -8.7040 12.4030 1.5470 H 21 U24 0.1500 682 P -8.5890 16.6770 6.1900 P.3 22 C25 1.4424 BACKBONE 683 OP1 -9.3790 17.3420 7.2510 O.co2 22 C25 -0.9500 BACKBONE 684 OP2 -8.5320 17.3430 4.8640 O.co2 22 C25 -0.9500 BACKBONE 685 O5' -7.1220 16.3910 6.7430 O.3 22 C25 -0.5512 BACKBONE 686 C5' -5.9930 17.1740 6.3550 C.3 22 C25 0.1200 BACKBONE 687 C4' -4.6630 16.3930 6.5010 C.3 22 C25 0.2000 BACKBONE 688 O4' -4.6140 15.2710 5.5620 O.3 22 C25 -0.5600 689 C3' -3.4270 17.2220 6.1320 C.3 22 C25 0.2000 BACKBONE 690 O3' -2.9750 18.0270 7.2240 O.3 22 C25 -0.5512 BACKBONE 691 C2' -2.3950 16.1670 5.7140 C.3 22 C25 0.2000 692 O2' -1.6630 15.6410 6.8230 O.3 22 C25 -0.6800 693 HO2' -1.5780 16.3920 7.4210 H 22 C25 0.4000 694 C1' -3.2750 15.0610 5.0700 C.3 22 C25 0.5001 695 N1 -3.2480 14.9850 3.5530 N.am 22 C25 -0.4691 696 C2 -2.0050 14.6340 2.8950 C.2 22 C25 0.8410 697 O2 -0.9520 14.4110 3.5220 O.2 22 C25 -0.5700 698 N3 -1.9920 14.5560 1.5210 N.2 22 C25 -0.6610 699 C4 -3.0970 14.7890 0.7840 C.2 22 C25 0.4856 700 N4 -3.0600 14.7140 -0.5700 N.pl3 22 C25 -0.8500 701 C5 -4.3390 15.1350 1.4200 C.2 22 C25 -0.1356 702 C6 -4.3740 15.2180 2.7580 C.2 22 C25 -0.0410 703 H5' -5.9470 18.0730 7.0100 H 22 C25 0.0800 704 H5'' -6.0870 17.5290 5.3030 H 22 C25 0.0800 705 H4' -4.5720 15.9790 7.5280 H 22 C25 0.0800 706 H3' -3.6510 17.8400 5.2280 H 22 C25 0.0800 707 H2' -1.6730 16.5910 4.9870 H 22 C25 0.0800 708 H1' -2.9630 14.0700 5.4680 H 22 C25 0.0800 709 H42 -2.1930 14.4630 -1.0140 H 22 C25 0.4000 710 H41 -3.8780 14.8790 -1.1170 H 22 C25 0.4000 711 H5 -5.2260 15.3210 0.8120 H 22 C25 0.1500 712 H6 -5.3040 15.4750 3.2640 H 22 C25 0.1500 713 P -3.1130 19.6040 7.3060 P.3 23 C3_26 1.4424 BACKBONE 714 OP1 -3.5570 19.9580 8.6710 O.co2 23 C3_26 -0.9500 BACKBONE 715 OP2 -3.9310 20.1080 6.1770 O.co2 23 C3_26 -0.9500 BACKBONE 716 O5' -1.6330 20.1120 7.0820 O.3 23 C3_26 -0.5512 BACKBONE 717 C5' -0.5560 19.8590 7.9830 C.3 23 C3_26 0.1200 BACKBONE 718 C4' 0.7850 19.6440 7.2400 C.3 23 C3_26 0.2000 BACKBONE 719 O4' 0.7150 18.4570 6.3850 O.3 23 C3_26 -0.5600 720 C3' 1.1790 20.7750 6.2880 C.3 23 C3_26 0.2000 BACKBONE 721 O3' 1.8400 21.8500 6.9610 O.3 23 C3_26 -0.6800 BACKBONE 722 HO3' 2.7297 21.8785 6.5951 H 23 C3_26 0.4000 723 C2' 2.0400 20.0950 5.2220 C.3 23 C3_26 -0.1526 724 O2' 3.4190 20.0230 5.5910 O.3 23 C3_26 -0.9274 725 H2' 3.8884 19.5868 4.8762 H 23 C3_26 0.0000 726 C1' 1.4180 18.6740 5.1480 C.3 23 C3_26 0.5001 727 N1 0.4770 18.4350 3.9870 N.am 23 C3_26 -0.4691 728 C2 0.9290 17.6410 2.8710 C.2 23 C3_26 0.8410 729 O2 2.0710 17.1450 2.8200 O.2 23 C3_26 -0.5700 730 N3 0.0580 17.4320 1.8260 N.2 23 C3_26 -0.6610 731 C4 -1.1880 17.9530 1.8210 C.2 23 C3_26 0.4856 732 N4 -2.0260 17.7450 0.7760 N.pl3 23 C3_26 -0.8500 733 C5 -1.6480 18.7480 2.9230 C.2 23 C3_26 -0.1356 734 C6 -0.8130 18.9610 3.9490 C.2 23 C3_26 -0.0410 735 H5' -0.7540 18.9580 8.6100 H 23 C3_26 0.0800 736 H5'' -0.4540 20.7260 8.6710 H 23 C3_26 0.0800 737 H4' 1.5960 19.4550 7.9760 H 23 C3_26 0.0800 738 H3' 0.2760 21.1890 5.7810 H 23 C3_26 0.0800 739 H2' 1.9610 20.6250 4.2510 H 23 C3_26 0.0800 740 H1' 2.2340 17.9200 5.1390 H 23 C3_26 0.0800 741 H41 -1.6880 17.1880 0.0110 H 23 C3_26 0.4000 742 H42 -2.9490 18.1270 0.7740 H 23 C3_26 0.4000 743 H5 -2.6560 19.1640 2.9110 H 23 C3_26 0.1500 744 H6 -1.1250 19.5550 4.8000 H 23 C3_26 0.1500 @<TRIPOS>BOND 1 1 2 1 2 1 3 1 BACKBONE 3 3 4 1 BACKBONE 4 3 23 1 5 3 24 1 6 4 5 1 7 4 6 1 BACKBONE 8 4 25 1 9 5 11 1 10 6 7 1 BACKBONE 11 6 8 1 12 6 26 1 13 7 33 1 BACKBONE|INTERRES 14 8 9 1 15 8 11 1 16 8 27 1 17 9 10 1 18 11 12 1 19 11 28 1 20 12 13 1 21 12 22 1 22 13 14 2 23 13 29 1 24 14 15 1 25 15 16 1 26 15 22 2 27 16 17 2 28 16 18 am 29 18 19 1 30 18 30 1 31 19 20 1 32 19 21 2 33 20 31 1 34 20 32 1 35 21 22 1 36 33 34 ar BACKBONE 37 33 35 ar BACKBONE 38 33 36 1 BACKBONE 39 36 37 1 BACKBONE 40 37 38 1 BACKBONE 41 37 57 1 42 37 58 1 43 38 39 1 44 38 40 1 BACKBONE 45 38 59 1 46 39 45 1 47 40 41 1 BACKBONE 48 40 42 1 49 40 60 1 50 41 67 1 BACKBONE|INTERRES 51 42 43 1 52 42 45 1 53 42 61 1 54 43 44 1 55 45 46 1 56 45 62 1 57 46 47 1 58 46 56 1 59 47 48 2 60 47 63 1 61 48 49 1 62 49 50 1 63 49 56 2 64 50 51 2 65 50 52 am 66 52 53 1 67 52 64 1 68 53 54 1 69 53 55 2 70 54 65 1 71 54 66 1 72 55 56 1 73 67 68 ar BACKBONE 74 67 69 ar BACKBONE 75 67 70 1 BACKBONE 76 70 71 1 BACKBONE 77 71 72 1 BACKBONE 78 71 90 1 79 71 91 1 80 72 73 1 81 72 74 1 BACKBONE 82 72 92 1 83 73 79 1 84 74 75 1 BACKBONE 85 74 76 1 86 74 93 1 87 75 100 1 BACKBONE|INTERRES 88 76 77 1 89 76 79 1 90 76 94 1 91 77 78 1 92 79 80 1 93 79 95 1 94 80 81 1 95 80 89 1 96 81 82 2 97 81 96 1 98 82 83 1 99 83 84 ar 100 83 89 ar 101 84 85 1 102 84 86 ar 103 85 97 1 104 85 98 1 105 86 87 ar 106 87 88 ar 107 87 99 1 108 88 89 ar 109 100 101 ar BACKBONE 110 100 102 ar BACKBONE 111 100 103 1 BACKBONE 112 103 104 1 BACKBONE 113 104 105 1 BACKBONE 114 104 121 1 115 104 122 1 116 105 106 1 117 105 107 1 BACKBONE 118 105 123 1 119 106 112 1 120 107 108 1 BACKBONE 121 107 109 1 122 107 124 1 123 108 131 1 BACKBONE|INTERRES 124 109 110 1 125 109 112 1 126 109 125 1 127 110 111 1 128 112 113 1 129 112 126 1 130 113 114 am 131 113 120 1 132 114 115 2 133 114 116 1 134 116 117 2 135 117 118 1 136 117 119 1 137 118 127 1 138 118 128 1 139 119 120 2 140 119 129 1 141 120 130 1 142 131 132 ar BACKBONE 143 131 133 ar BACKBONE 144 131 134 1 BACKBONE 145 134 135 1 BACKBONE 146 135 136 1 BACKBONE 147 135 152 1 148 135 153 1 149 136 137 1 150 136 138 1 BACKBONE 151 136 154 1 152 137 143 1 153 138 139 1 BACKBONE 154 138 140 1 155 138 155 1 156 139 161 1 BACKBONE|INTERRES 157 140 141 1 158 140 143 1 159 140 156 1 160 141 142 1 161 143 144 1 162 143 157 1 163 144 145 am 164 144 151 1 165 145 146 2 166 145 147 am 167 147 148 am 168 147 158 1 169 148 149 2 170 148 150 1 171 150 151 2 172 150 159 1 173 151 160 1 174 161 162 ar BACKBONE 175 161 163 ar BACKBONE 176 161 164 1 BACKBONE 177 164 165 1 BACKBONE 178 165 166 1 BACKBONE 179 165 185 1 180 165 186 1 181 166 167 1 182 166 168 1 BACKBONE 183 166 187 1 184 167 173 1 185 168 169 1 BACKBONE 186 168 170 1 187 168 188 1 188 169 195 1 BACKBONE|INTERRES 189 170 171 1 190 170 173 1 191 170 189 1 192 171 172 1 193 173 174 1 194 173 190 1 195 174 175 1 196 174 184 1 197 175 176 2 198 175 191 1 199 176 177 1 200 177 178 1 201 177 184 2 202 178 179 2 203 178 180 am 204 180 181 1 205 180 192 1 206 181 182 1 207 181 183 2 208 182 193 1 209 182 194 1 210 183 184 1 211 195 196 ar BACKBONE 212 195 197 ar BACKBONE 213 195 198 1 BACKBONE 214 198 199 1 BACKBONE 215 199 200 1 BACKBONE 216 199 219 1 217 199 220 1 218 200 201 1 219 200 202 1 BACKBONE 220 200 221 1 221 201 207 1 222 202 203 1 BACKBONE 223 202 204 1 224 202 222 1 225 203 229 1 BACKBONE|INTERRES 226 204 205 1 227 204 207 1 228 204 223 1 229 205 206 1 230 207 208 1 231 207 224 1 232 208 209 1 233 208 218 1 234 209 210 2 235 209 225 1 236 210 211 1 237 211 212 1 238 211 218 2 239 212 213 2 240 212 214 am 241 214 215 1 242 214 226 1 243 215 216 1 244 215 217 2 245 216 227 1 246 216 228 1 247 217 218 1 248 229 230 ar BACKBONE 249 229 231 ar BACKBONE 250 229 232 1 BACKBONE 251 232 233 1 BACKBONE 252 233 234 1 BACKBONE 253 233 253 1 254 233 254 1 255 234 235 1 256 234 236 1 BACKBONE 257 234 255 1 258 235 241 1 259 236 237 1 BACKBONE 260 236 238 1 261 236 256 1 262 237 263 1 BACKBONE|INTERRES 263 238 239 1 264 238 241 1 265 238 257 1 266 239 240 1 267 241 242 1 268 241 258 1 269 242 243 1 270 242 252 1 271 243 244 2 272 243 259 1 273 244 245 1 274 245 246 1 275 245 252 2 276 246 247 2 277 246 248 am 278 248 249 1 279 248 260 1 280 249 250 1 281 249 251 2 282 250 261 1 283 250 262 1 284 251 252 1 285 263 264 ar BACKBONE 286 263 265 ar BACKBONE 287 263 266 1 BACKBONE 288 266 267 1 BACKBONE 289 267 268 1 BACKBONE 290 267 284 1 291 267 285 1 292 268 269 1 293 268 270 1 BACKBONE 294 268 286 1 295 269 275 1 296 270 271 1 BACKBONE 297 270 272 1 298 270 287 1 299 271 294 1 BACKBONE|INTERRES 300 272 273 1 301 272 275 1 302 272 288 1 303 273 274 1 304 275 276 1 305 275 289 1 306 276 277 am 307 276 283 1 308 277 278 2 309 277 279 1 310 279 280 2 311 280 281 1 312 280 282 1 313 281 290 1 314 281 291 1 315 282 283 2 316 282 292 1 317 283 293 1 318 294 295 ar BACKBONE 319 294 296 ar BACKBONE 320 294 297 1 BACKBONE 321 297 298 1 BACKBONE 322 298 299 1 BACKBONE 323 298 318 1 324 298 319 1 325 299 300 1 326 299 301 1 BACKBONE 327 299 320 1 328 300 306 1 329 301 302 1 BACKBONE 330 301 303 1 331 301 321 1 332 302 328 1 BACKBONE|INTERRES 333 303 304 1 334 303 306 1 335 303 322 1 336 304 305 1 337 306 307 1 338 306 323 1 339 307 308 1 340 307 317 1 341 308 309 2 342 308 324 1 343 309 310 1 344 310 311 1 345 310 317 2 346 311 312 2 347 311 313 am 348 313 314 1 349 313 325 1 350 314 315 1 351 314 316 2 352 315 326 1 353 315 327 1 354 316 317 1 355 328 329 ar BACKBONE 356 328 330 ar BACKBONE 357 328 331 1 BACKBONE 358 331 332 1 BACKBONE 359 332 333 1 BACKBONE 360 332 351 1 361 332 352 1 362 333 334 1 363 333 335 1 BACKBONE 364 333 353 1 365 334 340 1 366 335 336 1 BACKBONE 367 335 337 1 368 335 354 1 369 336 361 1 BACKBONE|INTERRES 370 337 338 1 371 337 340 1 372 337 355 1 373 338 339 1 374 340 341 1 375 340 356 1 376 341 342 1 377 341 350 1 378 342 343 2 379 342 357 1 380 343 344 1 381 344 345 ar 382 344 350 ar 383 345 346 1 384 345 347 ar 385 346 358 1 386 346 359 1 387 347 348 ar 388 348 349 ar 389 348 360 1 390 349 350 ar 391 361 362 ar BACKBONE 392 361 363 ar BACKBONE 393 361 364 1 BACKBONE 394 364 365 1 BACKBONE 395 365 366 1 BACKBONE 396 365 385 1 397 365 386 1 398 366 367 1 399 366 368 1 BACKBONE 400 366 387 1 401 367 373 1 402 368 369 1 BACKBONE 403 368 370 1 404 368 388 1 405 369 395 1 BACKBONE|INTERRES 406 370 371 1 407 370 373 1 408 370 389 1 409 371 372 1 410 373 374 1 411 373 390 1 412 374 375 1 413 374 384 1 414 375 376 2 415 375 391 1 416 376 377 1 417 377 378 1 418 377 384 2 419 378 379 2 420 378 380 am 421 380 381 1 422 380 392 1 423 381 382 1 424 381 383 2 425 382 393 1 426 382 394 1 427 383 384 1 428 395 396 ar BACKBONE 429 395 397 ar BACKBONE 430 395 398 1 BACKBONE 431 398 399 1 BACKBONE 432 399 400 1 BACKBONE 433 399 418 1 434 399 419 1 435 400 401 1 436 400 402 1 BACKBONE 437 400 420 1 438 401 407 1 439 402 403 1 BACKBONE 440 402 404 1 441 402 421 1 442 403 428 1 BACKBONE|INTERRES 443 404 405 1 444 404 407 1 445 404 422 1 446 405 406 1 447 407 408 1 448 407 423 1 449 408 409 1 450 408 417 1 451 409 410 2 452 409 424 1 453 410 411 1 454 411 412 ar 455 411 417 ar 456 412 413 1 457 412 414 ar 458 413 425 1 459 413 426 1 460 414 415 ar 461 415 416 ar 462 415 427 1 463 416 417 ar 464 428 429 ar BACKBONE 465 428 430 ar BACKBONE 466 428 431 1 BACKBONE 467 431 432 1 BACKBONE 468 432 433 1 BACKBONE 469 432 451 1 470 432 452 1 471 433 434 1 472 433 435 1 BACKBONE 473 433 453 1 474 434 440 1 475 435 436 1 BACKBONE 476 435 437 1 477 435 454 1 478 436 461 1 BACKBONE|INTERRES 479 437 438 1 480 437 440 1 481 437 455 1 482 438 439 1 483 440 441 1 484 440 456 1 485 441 442 1 486 441 450 1 487 442 443 2 488 442 457 1 489 443 444 1 490 444 445 ar 491 444 450 ar 492 445 446 1 493 445 447 ar 494 446 458 1 495 446 459 1 496 447 448 ar 497 448 449 ar 498 448 460 1 499 449 450 ar 500 461 462 ar BACKBONE 501 461 463 ar BACKBONE 502 461 464 1 BACKBONE 503 464 465 1 BACKBONE 504 465 466 1 BACKBONE 505 465 485 1 506 465 486 1 507 466 467 1 508 466 468 1 BACKBONE 509 466 487 1 510 467 473 1 511 468 469 1 BACKBONE 512 468 470 1 513 468 488 1 514 469 495 1 BACKBONE|INTERRES 515 470 471 1 516 470 473 1 517 470 489 1 518 471 472 1 519 473 474 1 520 473 490 1 521 474 475 1 522 474 484 1 523 475 476 2 524 475 491 1 525 476 477 1 526 477 478 1 527 477 484 2 528 478 479 2 529 478 480 am 530 480 481 1 531 480 492 1 532 481 482 1 533 481 483 2 534 482 493 1 535 482 494 1 536 483 484 1 537 495 496 ar BACKBONE 538 495 497 ar BACKBONE 539 495 498 1 BACKBONE 540 498 499 1 BACKBONE 541 499 500 1 BACKBONE 542 499 516 1 543 499 517 1 544 500 501 1 545 500 502 1 BACKBONE 546 500 518 1 547 501 507 1 548 502 503 1 BACKBONE 549 502 504 1 550 502 519 1 551 503 525 1 BACKBONE|INTERRES 552 504 505 1 553 504 507 1 554 504 520 1 555 505 506 1 556 507 508 1 557 507 521 1 558 508 509 am 559 508 515 1 560 509 510 2 561 509 511 am 562 511 512 am 563 511 522 1 564 512 513 2 565 512 514 1 566 514 515 2 567 514 523 1 568 515 524 1 569 525 526 ar BACKBONE 570 525 527 ar BACKBONE 571 525 528 1 BACKBONE 572 528 529 1 BACKBONE 573 529 530 1 BACKBONE 574 529 546 1 575 529 547 1 576 530 531 1 577 530 532 1 BACKBONE 578 530 548 1 579 531 537 1 580 532 533 1 BACKBONE 581 532 534 1 582 532 549 1 583 533 555 1 BACKBONE|INTERRES 584 534 535 1 585 534 537 1 586 534 550 1 587 535 536 1 588 537 538 1 589 537 551 1 590 538 539 am 591 538 545 1 592 539 540 2 593 539 541 am 594 541 542 am 595 541 552 1 596 542 543 2 597 542 544 1 598 544 545 2 599 544 553 1 600 545 554 1 601 555 556 ar BACKBONE 602 555 557 ar BACKBONE 603 555 558 1 BACKBONE 604 558 559 1 BACKBONE 605 559 560 1 BACKBONE 606 559 576 1 607 559 577 1 608 560 561 1 609 560 562 1 BACKBONE 610 560 578 1 611 561 567 1 612 562 563 1 BACKBONE 613 562 564 1 614 562 579 1 615 563 585 1 BACKBONE|INTERRES 616 564 565 1 617 564 567 1 618 564 580 1 619 565 566 1 620 567 568 1 621 567 581 1 622 568 569 am 623 568 575 1 624 569 570 2 625 569 571 am 626 571 572 am 627 571 582 1 628 572 573 2 629 572 574 1 630 574 575 2 631 574 583 1 632 575 584 1 633 585 586 ar BACKBONE 634 585 587 ar BACKBONE 635 585 588 1 BACKBONE 636 588 589 1 BACKBONE 637 589 590 1 BACKBONE 638 589 608 1 639 589 609 1 640 590 591 1 641 590 592 1 BACKBONE 642 590 610 1 643 591 597 1 644 592 593 1 BACKBONE 645 592 594 1 646 592 611 1 647 593 618 1 BACKBONE|INTERRES 648 594 595 1 649 594 597 1 650 594 612 1 651 595 596 1 652 597 598 1 653 597 613 1 654 598 599 1 655 598 607 1 656 599 600 2 657 599 614 1 658 600 601 1 659 601 602 ar 660 601 607 ar 661 602 603 1 662 602 604 ar 663 603 615 1 664 603 616 1 665 604 605 ar 666 605 606 ar 667 605 617 1 668 606 607 ar 669 618 619 ar BACKBONE 670 618 620 ar BACKBONE 671 618 621 1 BACKBONE 672 621 622 1 BACKBONE 673 622 623 1 BACKBONE 674 622 642 1 675 622 643 1 676 623 624 1 677 623 625 1 BACKBONE 678 623 644 1 679 624 630 1 680 625 626 1 BACKBONE 681 625 627 1 682 625 645 1 683 626 652 1 BACKBONE|INTERRES 684 627 628 1 685 627 630 1 686 627 646 1 687 628 629 1 688 630 631 1 689 630 647 1 690 631 632 1 691 631 641 1 692 632 633 2 693 632 648 1 694 633 634 1 695 634 635 1 696 634 641 2 697 635 636 2 698 635 637 am 699 637 638 1 700 637 649 1 701 638 639 1 702 638 640 2 703 639 650 1 704 639 651 1 705 640 641 1 706 652 653 ar BACKBONE 707 652 654 ar BACKBONE 708 652 655 1 BACKBONE 709 655 656 1 BACKBONE 710 656 657 1 BACKBONE 711 656 673 1 712 656 674 1 713 657 658 1 714 657 659 1 BACKBONE 715 657 675 1 716 658 664 1 717 659 660 1 BACKBONE 718 659 661 1 719 659 676 1 720 660 682 1 BACKBONE|INTERRES 721 661 662 1 722 661 664 1 723 661 677 1 724 662 663 1 725 664 665 1 726 664 678 1 727 665 666 am 728 665 672 1 729 666 667 2 730 666 668 am 731 668 669 am 732 668 679 1 733 669 670 2 734 669 671 1 735 671 672 2 736 671 680 1 737 672 681 1 738 682 683 ar BACKBONE 739 682 684 ar BACKBONE 740 682 685 1 BACKBONE 741 685 686 1 BACKBONE 742 686 687 1 BACKBONE 743 686 703 1 744 686 704 1 745 687 688 1 746 687 689 1 BACKBONE 747 687 705 1 748 688 694 1 749 689 690 1 BACKBONE 750 689 691 1 751 689 706 1 752 690 713 1 BACKBONE|INTERRES 753 691 692 1 754 691 694 1 755 691 707 1 756 692 693 1 757 694 695 1 758 694 708 1 759 695 696 am 760 695 702 1 761 696 697 2 762 696 698 1 763 698 699 2 764 699 700 1 765 699 701 1 766 700 709 1 767 700 710 1 768 701 702 2 769 701 711 1 770 702 712 1 771 713 714 ar BACKBONE 772 713 715 ar BACKBONE 773 713 716 1 BACKBONE 774 716 717 1 BACKBONE 775 717 718 1 BACKBONE 776 717 735 1 777 717 736 1 778 718 719 1 779 718 720 1 BACKBONE 780 718 737 1 781 719 726 1 782 720 721 1 BACKBONE 783 720 723 1 784 720 738 1 785 721 722 1 786 723 724 1 787 723 726 1 788 723 739 1 789 724 725 1 790 726 727 1 791 726 740 1 792 727 728 am 793 727 734 1 794 728 729 2 795 728 730 1 796 730 731 2 797 731 732 1 798 731 733 1 799 732 741 1 800 732 742 1 801 733 734 2 802 733 743 1 803 734 744 1 @<TRIPOS>SUBSTRUCTURE 1 G5_4 12 RESIDUE 4 A G5 1 2 G5 33 RESIDUE 4 A rG 2 3 A6 67 RESIDUE 4 A rA 2 4 C7 100 RESIDUE 4 A rC 2 5 U8 131 RESIDUE 4 A rU 2 6 G9 161 RESIDUE 4 A rG 2 7 G10 195 RESIDUE 4 A rG 2 8 G11 229 RESIDUE 4 A rG 2 9 C12 263 RESIDUE 4 A rC 2 10 G13 294 RESIDUE 4 A rG 2 11 A14 328 RESIDUE 4 A rA 2 12 G15 361 RESIDUE 4 A rG 2 13 A16 395 RESIDUE 4 A rA 2 14 A17 428 RESIDUE 4 A rA 2 15 G18 461 RESIDUE 4 A rG 2 16 U19 495 RESIDUE 4 A rU 2 17 U20 525 RESIDUE 4 A rU 2 18 U21 555 RESIDUE 4 A rU 2 19 A22 585 RESIDUE 4 A rA 2 20 G23 618 RESIDUE 4 A rG 2 21 U24 652 RESIDUE 4 A rU 2 22 C25 682 RESIDUE 4 A rC 2 23 C3_26 713 RESIDUE 4 A C3 1 # MOE 2011.10 (io_trps.svl 2011.10)