USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 232 hydrogens (48 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot -10:sc= 0.432 USER MOD Single : A 5 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot -17:sc= 0.724 USER MOD Single : B 5 DG O3' : rot 180:sc= 0 USER MOD Single : C 1 DG O5' : rot -13:sc= 0.639 USER MOD Single : C 5 DG O3' : rot 180:sc= 0 USER MOD Single : D 1 DG O5' : rot -7:sc= 0.628 USER MOD Single : D 5 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -8.063 -2.368 -1.198 1.00 1.00 O ATOM 2 C5' DG A 1 -8.706 -3.567 -1.632 1.00 1.00 C ATOM 3 C4' DG A 1 -8.431 -3.819 -3.096 1.00 1.00 C ATOM 4 O4' DG A 1 -7.204 -3.137 -3.449 1.00 1.00 O ATOM 5 C3' DG A 1 -8.229 -5.286 -3.478 1.00 1.00 C ATOM 6 O3' DG A 1 -8.835 -5.557 -4.748 1.00 1.00 O ATOM 7 C2' DG A 1 -6.718 -5.425 -3.561 1.00 1.00 C ATOM 8 C1' DG A 1 -6.298 -4.051 -4.046 1.00 1.00 C ATOM 9 N9 DG A 1 -4.940 -3.651 -3.683 1.00 1.00 N ATOM 10 C8 DG A 1 -3.962 -3.220 -4.546 1.00 1.00 C ATOM 11 N7 DG A 1 -2.852 -2.886 -3.947 1.00 1.00 N ATOM 12 C5 DG A 1 -3.110 -3.115 -2.603 1.00 1.00 C ATOM 13 C6 DG A 1 -2.274 -2.938 -1.474 1.00 1.00 C ATOM 14 O6 DG A 1 -1.118 -2.487 -1.437 1.00 1.00 O ATOM 15 N1 DG A 1 -2.910 -3.296 -0.290 1.00 1.00 N ATOM 16 C2 DG A 1 -4.204 -3.760 -0.215 1.00 1.00 C ATOM 17 N2 DG A 1 -4.664 -4.047 1.011 1.00 1.00 N ATOM 18 N3 DG A 1 -4.997 -3.925 -1.262 1.00 1.00 N ATOM 19 C4 DG A 1 -4.391 -3.590 -2.420 1.00 1.00 C ATOM 0 H5' DG A 1 -9.781 -3.490 -1.466 1.00 1.00 H new ATOM 0 H5'' DG A 1 -8.352 -4.411 -1.040 1.00 1.00 H new ATOM 0 H4' DG A 1 -9.316 -3.463 -3.623 1.00 1.00 H new ATOM 0 H3' DG A 1 -8.679 -5.982 -2.770 1.00 1.00 H new ATOM 0 H2' DG A 1 -6.277 -5.668 -2.594 1.00 1.00 H new ATOM 0 H2'' DG A 1 -6.419 -6.211 -4.254 1.00 1.00 H new ATOM 0 HO5' DG A 1 -7.456 -2.050 -1.899 1.00 1.00 H new ATOM 0 H1' DG A 1 -6.313 -4.064 -5.136 1.00 1.00 H new ATOM 0 H8 DG A 1 -4.099 -3.163 -5.616 1.00 1.00 H new ATOM 0 H1 DG A 1 -2.383 -3.209 0.579 1.00 1.00 H new ATOM 0 H21 DG A 1 -5.615 -4.395 1.130 1.00 1.00 H new ATOM 0 H22 DG A 1 -4.062 -3.918 1.825 1.00 1.00 H new ATOM 32 P DG A 2 -8.982 -7.070 -5.269 1.00 1.00 P ATOM 33 OP1 DG A 2 -10.201 -7.131 -6.108 1.00 1.00 O ATOM 34 OP2 DG A 2 -8.849 -7.992 -4.114 1.00 1.00 O ATOM 35 O5' DG A 2 -7.724 -7.271 -6.221 1.00 1.00 O ATOM 36 C5' DG A 2 -7.439 -6.334 -7.258 1.00 1.00 C ATOM 37 C4' DG A 2 -6.090 -6.620 -7.876 1.00 1.00 C ATOM 38 O4' DG A 2 -5.055 -6.129 -6.986 1.00 1.00 O ATOM 39 C3' DG A 2 -5.786 -8.111 -8.080 1.00 1.00 C ATOM 40 O3' DG A 2 -5.026 -8.409 -9.271 1.00 1.00 O ATOM 41 C2' DG A 2 -4.949 -8.443 -6.858 1.00 1.00 C ATOM 42 C1' DG A 2 -4.131 -7.173 -6.736 1.00 1.00 C ATOM 43 N9 DG A 2 -3.495 -6.943 -5.442 1.00 1.00 N ATOM 44 C8 DG A 2 -3.927 -7.348 -4.203 1.00 1.00 C ATOM 45 N7 DG A 2 -3.106 -7.026 -3.237 1.00 1.00 N ATOM 46 C5 DG A 2 -2.069 -6.365 -3.881 1.00 1.00 C ATOM 47 C6 DG A 2 -0.884 -5.781 -3.357 1.00 1.00 C ATOM 48 O6 DG A 2 -0.511 -5.725 -2.177 1.00 1.00 O ATOM 49 N1 DG A 2 -0.097 -5.212 -4.356 1.00 1.00 N ATOM 50 C2 DG A 2 -0.427 -5.210 -5.694 1.00 1.00 C ATOM 51 N2 DG A 2 0.434 -4.608 -6.522 1.00 1.00 N ATOM 52 N3 DG A 2 -1.525 -5.748 -6.193 1.00 1.00 N ATOM 53 C4 DG A 2 -2.296 -6.304 -5.238 1.00 1.00 C ATOM 0 H5' DG A 2 -7.453 -5.321 -6.855 1.00 1.00 H new ATOM 0 H5'' DG A 2 -8.214 -6.383 -8.023 1.00 1.00 H new ATOM 0 H4' DG A 2 -6.111 -6.134 -8.851 1.00 1.00 H new ATOM 0 H3' DG A 2 -6.707 -8.682 -8.198 1.00 1.00 H new ATOM 0 H2' DG A 2 -5.560 -8.630 -5.975 1.00 1.00 H new ATOM 0 H2'' DG A 2 -4.327 -9.325 -7.008 1.00 1.00 H new ATOM 0 H1' DG A 2 -3.294 -7.236 -7.432 1.00 1.00 H new ATOM 0 H8 DG A 2 -4.853 -7.880 -4.042 1.00 1.00 H new ATOM 0 H1 DG A 2 0.779 -4.769 -4.079 1.00 1.00 H new ATOM 0 H21 DG A 2 0.241 -4.576 -7.523 1.00 1.00 H new ATOM 0 H22 DG A 2 1.283 -4.181 -6.152 1.00 1.00 H new HETATM 65 P AZW A 3 -4.562 -7.321 -10.364 1.00 1.00 P HETATM 66 OP1 AZW A 3 -3.736 -6.279 -9.710 1.00 1.00 O HETATM 67 OP2 AZW A 3 -5.763 -6.919 -11.130 1.00 1.00 O HETATM 68 O5' AZW A 3 -3.615 -8.144 -11.343 1.00 1.00 O HETATM 69 C5' AZW A 3 -2.868 -9.265 -10.876 1.00 1.00 C HETATM 70 C1A AZW A 3 -1.776 -8.800 -9.940 1.00 1.00 C HETATM 71 C2A AZW A 3 -0.876 -7.806 -10.348 1.00 1.00 C HETATM 72 C6A AZW A 3 -1.653 -9.376 -8.669 1.00 1.00 C HETATM 73 C3A AZW A 3 0.149 -7.392 -9.484 1.00 1.00 C HETATM 74 C5A AZW A 3 -0.630 -8.962 -7.807 1.00 1.00 C HETATM 75 C4A AZW A 3 0.273 -7.971 -8.214 1.00 1.00 C HETATM 76 N5A AZW A 3 1.322 -7.581 -7.353 1.00 1.00 N HETATM 77 C1B AZW A 3 5.638 -7.196 -4.718 1.00 1.00 C HETATM 78 C2B AZW A 3 5.831 -7.221 -6.108 1.00 1.00 C HETATM 79 C6B AZW A 3 4.374 -7.493 -4.186 1.00 1.00 C HETATM 80 C3B AZW A 3 4.770 -7.546 -6.959 1.00 1.00 C HETATM 81 C5B AZW A 3 3.311 -7.819 -5.039 1.00 1.00 C HETATM 82 C4B AZW A 3 3.510 -7.849 -6.425 1.00 1.00 C HETATM 83 N5B AZW A 3 2.451 -8.222 -7.284 1.00 1.00 N HETATM 84 C3' AZW A 3 6.793 -6.886 -3.791 1.00 1.00 C HETATM 85 O3' AZW A 3 8.002 -7.454 -4.287 1.00 1.00 O ATOM 98 P DG A 4 9.167 -6.510 -4.859 1.00 1.00 P ATOM 99 OP1 DG A 4 9.908 -7.278 -5.889 1.00 1.00 O ATOM 100 OP2 DG A 4 9.898 -5.950 -3.697 1.00 1.00 O ATOM 101 O5' DG A 4 8.394 -5.321 -5.581 1.00 1.00 O ATOM 102 C5' DG A 4 9.091 -4.159 -6.027 1.00 1.00 C ATOM 103 C4' DG A 4 8.470 -3.646 -7.304 1.00 1.00 C ATOM 104 O4' DG A 4 7.080 -4.048 -7.357 1.00 1.00 O ATOM 105 C3' DG A 4 8.440 -2.125 -7.454 1.00 1.00 C ATOM 106 O3' DG A 4 8.396 -1.784 -8.845 1.00 1.00 O ATOM 107 C2' DG A 4 7.134 -1.774 -6.764 1.00 1.00 C ATOM 108 C1' DG A 4 6.243 -2.902 -7.248 1.00 1.00 C ATOM 109 N9 DG A 4 5.114 -3.253 -6.390 1.00 1.00 N ATOM 110 C8 DG A 4 3.848 -3.556 -6.823 1.00 1.00 C ATOM 111 N7 DG A 4 3.043 -3.913 -5.862 1.00 1.00 N ATOM 112 C5 DG A 4 3.823 -3.838 -4.720 1.00 1.00 C ATOM 113 C6 DG A 4 3.485 -4.113 -3.373 1.00 1.00 C ATOM 114 O6 DG A 4 2.398 -4.498 -2.924 1.00 1.00 O ATOM 115 N1 DG A 4 4.558 -3.916 -2.511 1.00 1.00 N ATOM 116 C2 DG A 4 5.806 -3.502 -2.914 1.00 1.00 C ATOM 117 N2 DG A 4 6.728 -3.357 -1.953 1.00 1.00 N ATOM 118 N3 DG A 4 6.135 -3.242 -4.169 1.00 1.00 N ATOM 119 C4 DG A 4 5.104 -3.430 -5.020 1.00 1.00 C ATOM 0 H5' DG A 4 10.142 -4.396 -6.193 1.00 1.00 H new ATOM 0 H5'' DG A 4 9.056 -3.386 -5.259 1.00 1.00 H new ATOM 0 H4' DG A 4 9.099 -4.064 -8.090 1.00 1.00 H new ATOM 0 H3' DG A 4 9.303 -1.604 -7.040 1.00 1.00 H new ATOM 0 H2' DG A 4 7.231 -1.761 -5.678 1.00 1.00 H new ATOM 0 H2'' DG A 4 6.759 -0.795 -7.062 1.00 1.00 H new ATOM 0 H1' DG A 4 5.791 -2.563 -8.180 1.00 1.00 H new ATOM 0 H8 DG A 4 3.548 -3.504 -7.859 1.00 1.00 H new ATOM 0 H1 DG A 4 4.410 -4.090 -1.517 1.00 1.00 H new ATOM 0 H21 DG A 4 7.671 -3.052 -2.193 1.00 1.00 H new ATOM 0 H22 DG A 4 6.487 -3.551 -0.981 1.00 1.00 H new ATOM 131 P DG A 5 8.624 -0.270 -9.327 1.00 1.00 P ATOM 132 OP1 DG A 5 8.868 -0.303 -10.789 1.00 1.00 O ATOM 133 OP2 DG A 5 9.642 0.333 -8.434 1.00 1.00 O ATOM 134 O5' DG A 5 7.219 0.436 -9.071 1.00 1.00 O ATOM 135 C5' DG A 5 6.101 0.130 -9.906 1.00 1.00 C ATOM 136 C4' DG A 5 4.815 0.675 -9.327 1.00 1.00 C ATOM 137 O4' DG A 5 4.415 -0.079 -8.165 1.00 1.00 O ATOM 138 C3' DG A 5 4.872 2.113 -8.814 1.00 1.00 C ATOM 139 O3' DG A 5 4.551 3.037 -9.858 1.00 1.00 O ATOM 140 C2' DG A 5 3.816 2.147 -7.716 1.00 1.00 C ATOM 141 C1' DG A 5 3.404 0.687 -7.538 1.00 1.00 C ATOM 142 N9 DG A 5 3.264 0.261 -6.148 1.00 1.00 N ATOM 143 C8 DG A 5 4.165 0.438 -5.126 1.00 1.00 C ATOM 144 N7 DG A 5 3.727 0.006 -3.973 1.00 1.00 N ATOM 145 C5 DG A 5 2.460 -0.490 -4.251 1.00 1.00 C ATOM 146 C6 DG A 5 1.495 -1.090 -3.394 1.00 1.00 C ATOM 147 O6 DG A 5 1.568 -1.291 -2.172 1.00 1.00 O ATOM 148 N1 DG A 5 0.340 -1.453 -4.083 1.00 1.00 N ATOM 149 C2 DG A 5 0.148 -1.258 -5.431 1.00 1.00 C ATOM 150 N2 DG A 5 -1.018 -1.679 -5.938 1.00 1.00 N ATOM 151 N3 DG A 5 1.035 -0.700 -6.238 1.00 1.00 N ATOM 152 C4 DG A 5 2.161 -0.342 -5.588 1.00 1.00 C ATOM 0 H5' DG A 5 6.019 -0.950 -10.025 1.00 1.00 H new ATOM 0 H5'' DG A 5 6.261 0.549 -10.899 1.00 1.00 H new ATOM 0 H4' DG A 5 4.133 0.610 -10.175 1.00 1.00 H new ATOM 0 H3' DG A 5 5.862 2.396 -8.456 1.00 1.00 H new ATOM 0 H2' DG A 5 4.218 2.562 -6.791 1.00 1.00 H new ATOM 0 H2'' DG A 5 2.966 2.767 -8.001 1.00 1.00 H new ATOM 0 HO3' DG A 5 4.591 3.952 -9.509 1.00 1.00 H new ATOM 0 H1' DG A 5 2.415 0.550 -7.975 1.00 1.00 H new ATOM 0 H8 DG A 5 5.137 0.889 -5.262 1.00 1.00 H new ATOM 0 H1 DG A 5 -0.413 -1.892 -3.553 1.00 1.00 H new ATOM 0 H21 DG A 5 -1.215 -1.560 -6.932 1.00 1.00 H new ATOM 0 H22 DG A 5 -1.709 -2.119 -5.330 1.00 1.00 H new TER 165 DG A 5 ATOM 166 O5' DG B 1 7.211 2.865 1.107 1.00 1.00 O ATOM 167 C5' DG B 1 8.519 2.456 1.506 1.00 1.00 C ATOM 168 C4' DG B 1 8.473 1.761 2.845 1.00 1.00 C ATOM 169 O4' DG B 1 7.111 1.343 3.103 1.00 1.00 O ATOM 170 C3' DG B 1 9.326 0.496 2.947 1.00 1.00 C ATOM 171 O3' DG B 1 9.895 0.409 4.259 1.00 1.00 O ATOM 172 C2' DG B 1 8.312 -0.611 2.720 1.00 1.00 C ATOM 173 C1' DG B 1 7.101 -0.038 3.424 1.00 1.00 C ATOM 174 N9 DG B 1 5.807 -0.594 3.035 1.00 1.00 N ATOM 175 C8 DG B 1 4.884 -1.174 3.873 1.00 1.00 C ATOM 176 N7 DG B 1 3.792 -1.545 3.263 1.00 1.00 N ATOM 177 C5 DG B 1 4.006 -1.193 1.939 1.00 1.00 C ATOM 178 C6 DG B 1 3.164 -1.353 0.809 1.00 1.00 C ATOM 179 O6 DG B 1 2.019 -1.831 0.766 1.00 1.00 O ATOM 180 N1 DG B 1 3.752 -0.871 -0.355 1.00 1.00 N ATOM 181 C2 DG B 1 5.004 -0.295 -0.408 1.00 1.00 C ATOM 182 N2 DG B 1 5.412 0.130 -1.614 1.00 1.00 N ATOM 183 N3 DG B 1 5.799 -0.139 0.641 1.00 1.00 N ATOM 184 C4 DG B 1 5.243 -0.607 1.777 1.00 1.00 C ATOM 0 H5' DG B 1 9.176 3.324 1.563 1.00 1.00 H new ATOM 0 H5'' DG B 1 8.941 1.786 0.757 1.00 1.00 H new ATOM 0 H4' DG B 1 8.864 2.488 3.557 1.00 1.00 H new ATOM 0 H3' DG B 1 10.158 0.458 2.244 1.00 1.00 H new ATOM 0 H2' DG B 1 8.127 -0.791 1.661 1.00 1.00 H new ATOM 0 H2'' DG B 1 8.631 -1.559 3.153 1.00 1.00 H new ATOM 0 HO5' DG B 1 6.542 2.386 1.639 1.00 1.00 H new ATOM 0 H1' DG B 1 7.188 -0.276 4.484 1.00 1.00 H new ATOM 0 H8 DG B 1 5.047 -1.309 4.932 1.00 1.00 H new ATOM 0 H1 DG B 1 3.224 -0.948 -1.224 1.00 1.00 H new ATOM 0 H21 DG B 1 6.329 0.565 -1.718 1.00 1.00 H new ATOM 0 H22 DG B 1 4.805 0.018 -2.426 1.00 1.00 H new ATOM 197 P DG B 2 11.041 -0.667 4.591 1.00 1.00 P ATOM 198 OP1 DG B 2 11.746 -0.189 5.803 1.00 1.00 O ATOM 199 OP2 DG B 2 11.813 -0.946 3.357 1.00 1.00 O ATOM 200 O5' DG B 2 10.236 -1.981 4.982 1.00 1.00 O ATOM 201 C5' DG B 2 9.435 -2.007 6.159 1.00 1.00 C ATOM 202 C4' DG B 2 8.538 -3.221 6.163 1.00 1.00 C ATOM 203 O4' DG B 2 7.551 -3.103 5.107 1.00 1.00 O ATOM 204 C3' DG B 2 9.253 -4.553 5.907 1.00 1.00 C ATOM 205 O3' DG B 2 8.797 -5.531 6.845 1.00 1.00 O ATOM 206 C2' DG B 2 8.805 -4.928 4.506 1.00 1.00 C ATOM 207 C1' DG B 2 7.396 -4.389 4.540 1.00 1.00 C ATOM 208 N9 DG B 2 6.710 -4.289 3.255 1.00 1.00 N ATOM 209 C8 DG B 2 7.223 -3.909 2.038 1.00 1.00 C ATOM 210 N7 DG B 2 6.352 -3.991 1.065 1.00 1.00 N ATOM 211 C5 DG B 2 5.195 -4.451 1.682 1.00 1.00 C ATOM 212 C6 DG B 2 3.912 -4.738 1.144 1.00 1.00 C ATOM 213 O6 DG B 2 3.530 -4.631 -0.029 1.00 1.00 O ATOM 214 N1 DG B 2 3.023 -5.186 2.120 1.00 1.00 N ATOM 215 C2 DG B 2 3.346 -5.330 3.452 1.00 1.00 C ATOM 216 N2 DG B 2 2.374 -5.745 4.272 1.00 1.00 N ATOM 217 N3 DG B 2 4.535 -5.067 3.961 1.00 1.00 N ATOM 218 C4 DG B 2 5.404 -4.637 3.028 1.00 1.00 C ATOM 0 H5' DG B 2 8.831 -1.101 6.215 1.00 1.00 H new ATOM 0 H5'' DG B 2 10.075 -2.018 7.041 1.00 1.00 H new ATOM 0 H4' DG B 2 8.113 -3.240 7.167 1.00 1.00 H new ATOM 0 H3' DG B 2 10.337 -4.490 6.007 1.00 1.00 H new ATOM 0 H2' DG B 2 9.414 -4.460 3.733 1.00 1.00 H new ATOM 0 H2'' DG B 2 8.838 -6.003 4.330 1.00 1.00 H new ATOM 0 H1' DG B 2 6.760 -5.077 5.096 1.00 1.00 H new ATOM 0 H8 DG B 2 8.241 -3.577 1.899 1.00 1.00 H new ATOM 0 H1 DG B 2 2.074 -5.422 1.830 1.00 1.00 H new ATOM 0 H21 DG B 2 2.563 -5.867 5.267 1.00 1.00 H new ATOM 0 H22 DG B 2 1.443 -5.939 3.902 1.00 1.00 H new HETATM 230 P AZW B 3 9.849 -6.448 7.634 1.00 1.00 P HETATM 231 OP1 AZW B 3 10.247 -5.733 8.869 1.00 1.00 O HETATM 232 OP2 AZW B 3 10.890 -6.878 6.672 1.00 1.00 O HETATM 233 O5' AZW B 3 8.998 -7.728 8.047 1.00 1.00 O HETATM 234 C5' AZW B 3 7.685 -7.587 8.587 1.00 1.00 C HETATM 235 C1A AZW B 3 6.655 -8.130 7.617 1.00 1.00 C HETATM 236 C2A AZW B 3 5.423 -8.593 8.102 1.00 1.00 C HETATM 237 C6A AZW B 3 6.921 -8.171 6.236 1.00 1.00 C HETATM 238 C3A AZW B 3 4.463 -9.095 7.218 1.00 1.00 C HETATM 239 C5A AZW B 3 5.957 -8.674 5.351 1.00 1.00 C HETATM 240 C4A AZW B 3 4.727 -9.138 5.843 1.00 1.00 C HETATM 241 N5A AZW B 3 3.754 -9.651 4.958 1.00 1.00 N HETATM 242 C1B AZW B 3 0.236 -10.476 1.436 1.00 1.00 C HETATM 243 C2B AZW B 3 0.135 -10.685 2.818 1.00 1.00 C HETATM 244 C6B AZW B 3 1.319 -9.751 0.919 1.00 1.00 C HETATM 245 C3B AZW B 3 1.111 -10.173 3.682 1.00 1.00 C HETATM 246 C5B AZW B 3 2.299 -9.238 1.786 1.00 1.00 C HETATM 247 C4B AZW B 3 2.193 -9.450 3.168 1.00 1.00 C HETATM 248 N5B AZW B 3 3.171 -8.931 4.045 1.00 1.00 N HETATM 249 C3' AZW B 3 -0.825 -11.021 0.505 1.00 1.00 C HETATM 250 O3' AZW B 3 -1.228 -12.326 0.911 1.00 1.00 O ATOM 263 P DG B 4 -2.729 -12.562 1.428 1.00 1.00 P ATOM 264 OP1 DG B 4 -2.742 -13.792 2.256 1.00 1.00 O ATOM 265 OP2 DG B 4 -3.623 -12.467 0.250 1.00 1.00 O ATOM 266 O5' DG B 4 -3.013 -11.323 2.386 1.00 1.00 O ATOM 267 C5' DG B 4 -4.274 -11.152 3.029 1.00 1.00 C ATOM 268 C4' DG B 4 -4.062 -10.723 4.463 1.00 1.00 C ATOM 269 O4' DG B 4 -2.765 -10.087 4.575 1.00 1.00 O ATOM 270 C3' DG B 4 -5.050 -9.692 5.003 1.00 1.00 C ATOM 271 O3' DG B 4 -5.132 -9.807 6.431 1.00 1.00 O ATOM 272 C2' DG B 4 -4.394 -8.386 4.594 1.00 1.00 C ATOM 273 C1' DG B 4 -2.931 -8.701 4.852 1.00 1.00 C ATOM 274 N9 DG B 4 -1.962 -7.957 4.049 1.00 1.00 N ATOM 275 C8 DG B 4 -0.803 -7.389 4.518 1.00 1.00 C ATOM 276 N7 DG B 4 -0.095 -6.810 3.588 1.00 1.00 N ATOM 277 C5 DG B 4 -0.833 -7.003 2.430 1.00 1.00 C ATOM 278 C6 DG B 4 -0.556 -6.591 1.105 1.00 1.00 C ATOM 279 O6 DG B 4 0.427 -5.960 0.694 1.00 1.00 O ATOM 280 N1 DG B 4 -1.553 -6.980 0.215 1.00 1.00 N ATOM 281 C2 DG B 4 -2.678 -7.685 0.575 1.00 1.00 C ATOM 282 N2 DG B 4 -3.537 -7.979 -0.413 1.00 1.00 N ATOM 283 N3 DG B 4 -2.947 -8.077 1.811 1.00 1.00 N ATOM 284 C4 DG B 4 -1.989 -7.707 2.688 1.00 1.00 C ATOM 0 H5' DG B 4 -4.838 -12.084 2.998 1.00 1.00 H new ATOM 0 H5'' DG B 4 -4.865 -10.404 2.499 1.00 1.00 H new ATOM 0 H4' DG B 4 -4.181 -11.643 5.036 1.00 1.00 H new ATOM 0 H3' DG B 4 -6.070 -9.797 4.632 1.00 1.00 H new ATOM 0 H2' DG B 4 -4.584 -8.139 3.550 1.00 1.00 H new ATOM 0 H2'' DG B 4 -4.746 -7.544 5.190 1.00 1.00 H new ATOM 0 H1' DG B 4 -2.724 -8.411 5.882 1.00 1.00 H new ATOM 0 H8 DG B 4 -0.507 -7.419 5.556 1.00 1.00 H new ATOM 0 H1 DG B 4 -1.442 -6.726 -0.767 1.00 1.00 H new ATOM 0 H21 DG B 4 -4.390 -8.500 -0.209 1.00 1.00 H new ATOM 0 H22 DG B 4 -3.337 -7.681 -1.368 1.00 1.00 H new ATOM 296 P DG B 5 -6.130 -8.871 7.273 1.00 1.00 P ATOM 297 OP1 DG B 5 -6.346 -9.518 8.590 1.00 1.00 O ATOM 298 OP2 DG B 5 -7.298 -8.553 6.419 1.00 1.00 O ATOM 299 O5' DG B 5 -5.300 -7.538 7.518 1.00 1.00 O ATOM 300 C5' DG B 5 -4.181 -7.539 8.403 1.00 1.00 C ATOM 301 C4' DG B 5 -3.502 -6.189 8.401 1.00 1.00 C ATOM 302 O4' DG B 5 -2.785 -5.993 7.166 1.00 1.00 O ATOM 303 C3' DG B 5 -4.432 -4.981 8.454 1.00 1.00 C ATOM 304 O3' DG B 5 -4.780 -4.665 9.807 1.00 1.00 O ATOM 305 C2' DG B 5 -3.595 -3.872 7.830 1.00 1.00 C ATOM 306 C1' DG B 5 -2.492 -4.610 7.069 1.00 1.00 C ATOM 307 N9 DG B 5 -2.380 -4.253 5.657 1.00 1.00 N ATOM 308 C8 DG B 5 -3.342 -4.369 4.680 1.00 1.00 C ATOM 309 N7 DG B 5 -2.935 -3.969 3.504 1.00 1.00 N ATOM 310 C5 DG B 5 -1.624 -3.563 3.715 1.00 1.00 C ATOM 311 C6 DG B 5 -0.664 -3.031 2.809 1.00 1.00 C ATOM 312 O6 DG B 5 -0.794 -2.796 1.595 1.00 1.00 O ATOM 313 N1 DG B 5 0.548 -2.751 3.436 1.00 1.00 N ATOM 314 C2 DG B 5 0.795 -2.960 4.775 1.00 1.00 C ATOM 315 N2 DG B 5 2.022 -2.643 5.217 1.00 1.00 N ATOM 316 N3 DG B 5 -0.088 -3.452 5.628 1.00 1.00 N ATOM 317 C4 DG B 5 -1.268 -3.731 5.037 1.00 1.00 C ATOM 0 H5' DG B 5 -3.472 -8.310 8.101 1.00 1.00 H new ATOM 0 H5'' DG B 5 -4.509 -7.786 9.413 1.00 1.00 H new ATOM 0 H4' DG B 5 -2.887 -6.227 9.300 1.00 1.00 H new ATOM 0 H3' DG B 5 -5.378 -5.143 7.938 1.00 1.00 H new ATOM 0 H2' DG B 5 -4.192 -3.252 7.162 1.00 1.00 H new ATOM 0 H2'' DG B 5 -3.179 -3.212 8.591 1.00 1.00 H new ATOM 0 HO3' DG B 5 -5.375 -3.887 9.818 1.00 1.00 H new ATOM 0 H1' DG B 5 -1.539 -4.331 7.518 1.00 1.00 H new ATOM 0 H8 DG B 5 -4.334 -4.752 4.866 1.00 1.00 H new ATOM 0 H1 DG B 5 1.302 -2.366 2.867 1.00 1.00 H new ATOM 0 H21 DG B 5 2.261 -2.777 6.200 1.00 1.00 H new ATOM 0 H22 DG B 5 2.716 -2.268 4.570 1.00 1.00 H new TER 330 DG B 5 ATOM 331 O5' DG C 1 6.798 2.367 -2.841 1.00 1.00 O ATOM 332 C5' DG C 1 7.424 3.599 -3.195 1.00 1.00 C ATOM 333 C4' DG C 1 6.826 4.156 -4.466 1.00 1.00 C ATOM 334 O4' DG C 1 5.538 3.530 -4.671 1.00 1.00 O ATOM 335 C3' DG C 1 6.566 5.663 -4.458 1.00 1.00 C ATOM 336 O3' DG C 1 6.760 6.206 -5.771 1.00 1.00 O ATOM 337 C2' DG C 1 5.108 5.754 -4.043 1.00 1.00 C ATOM 338 C1' DG C 1 4.517 4.517 -4.697 1.00 1.00 C ATOM 339 N9 DG C 1 3.339 3.959 -4.038 1.00 1.00 N ATOM 340 C8 DG C 1 2.142 3.651 -4.635 1.00 1.00 C ATOM 341 N7 DG C 1 1.268 3.140 -3.811 1.00 1.00 N ATOM 342 C5 DG C 1 1.928 3.109 -2.589 1.00 1.00 C ATOM 343 C6 DG C 1 1.481 2.658 -1.319 1.00 1.00 C ATOM 344 O6 DG C 1 0.384 2.159 -1.024 1.00 1.00 O ATOM 345 N1 DG C 1 2.457 2.804 -0.339 1.00 1.00 N ATOM 346 C2 DG C 1 3.713 3.321 -0.567 1.00 1.00 C ATOM 347 N2 DG C 1 4.535 3.377 0.491 1.00 1.00 N ATOM 348 N3 DG C 1 4.143 3.742 -1.747 1.00 1.00 N ATOM 349 C4 DG C 1 3.206 3.611 -2.710 1.00 1.00 C ATOM 0 H5' DG C 1 8.495 3.443 -3.329 1.00 1.00 H new ATOM 0 H5'' DG C 1 7.305 4.319 -2.385 1.00 1.00 H new ATOM 0 H4' DG C 1 7.561 3.952 -5.245 1.00 1.00 H new ATOM 0 H3' DG C 1 7.232 6.220 -3.799 1.00 1.00 H new ATOM 0 H2' DG C 1 4.990 5.739 -2.959 1.00 1.00 H new ATOM 0 H2'' DG C 1 4.638 6.670 -4.402 1.00 1.00 H new ATOM 0 HO5' DG C 1 5.982 2.251 -3.371 1.00 1.00 H new ATOM 0 H1' DG C 1 4.183 4.808 -5.693 1.00 1.00 H new ATOM 0 H8 DG C 1 1.943 3.815 -5.684 1.00 1.00 H new ATOM 0 H1 DG C 1 2.228 2.509 0.610 1.00 1.00 H new ATOM 0 H21 DG C 1 5.478 3.750 0.385 1.00 1.00 H new ATOM 0 H22 DG C 1 4.217 3.046 1.402 1.00 1.00 H new ATOM 362 P DG C 2 6.851 7.793 -5.998 1.00 1.00 P ATOM 363 OP1 DG C 2 7.670 8.032 -7.209 1.00 1.00 O ATOM 364 OP2 DG C 2 7.250 8.419 -4.716 1.00 1.00 O ATOM 365 O5' DG C 2 5.354 8.228 -6.314 1.00 1.00 O ATOM 366 C5' DG C 2 4.638 7.631 -7.394 1.00 1.00 C ATOM 367 C4' DG C 2 3.170 7.972 -7.302 1.00 1.00 C ATOM 368 O4' DG C 2 2.552 7.150 -6.280 1.00 1.00 O ATOM 369 C3' DG C 2 2.873 9.425 -6.916 1.00 1.00 C ATOM 370 O3' DG C 2 1.865 9.974 -7.770 1.00 1.00 O ATOM 371 C2' DG C 2 2.365 9.313 -5.489 1.00 1.00 C ATOM 372 C1' DG C 2 1.674 7.967 -5.527 1.00 1.00 C ATOM 373 N9 DG C 2 1.441 7.357 -4.221 1.00 1.00 N ATOM 374 C8 DG C 2 2.255 7.427 -3.116 1.00 1.00 C ATOM 375 N7 DG C 2 1.742 6.861 -2.059 1.00 1.00 N ATOM 376 C5 DG C 2 0.514 6.382 -2.491 1.00 1.00 C ATOM 377 C6 DG C 2 -0.490 5.677 -1.783 1.00 1.00 C ATOM 378 O6 DG C 2 -0.485 5.333 -0.593 1.00 1.00 O ATOM 379 N1 DG C 2 -1.584 5.374 -2.589 1.00 1.00 N ATOM 380 C2 DG C 2 -1.685 5.716 -3.920 1.00 1.00 C ATOM 381 N2 DG C 2 -2.805 5.338 -4.556 1.00 1.00 N ATOM 382 N3 DG C 2 -0.755 6.374 -4.592 1.00 1.00 N ATOM 383 C4 DG C 2 0.312 6.675 -3.822 1.00 1.00 C ATOM 0 H5' DG C 2 4.769 6.549 -7.372 1.00 1.00 H new ATOM 0 H5'' DG C 2 5.041 7.982 -8.344 1.00 1.00 H new ATOM 0 H4' DG C 2 2.776 7.798 -8.303 1.00 1.00 H new ATOM 0 H3' DG C 2 3.740 10.079 -7.009 1.00 1.00 H new ATOM 0 H2' DG C 2 3.175 9.339 -4.761 1.00 1.00 H new ATOM 0 H2'' DG C 2 1.679 10.120 -5.232 1.00 1.00 H new ATOM 0 H1' DG C 2 0.676 8.082 -5.949 1.00 1.00 H new ATOM 0 H8 DG C 2 3.224 7.904 -3.122 1.00 1.00 H new ATOM 0 H1 DG C 2 -2.361 4.866 -2.167 1.00 1.00 H new ATOM 0 H21 DG C 2 -2.933 5.565 -5.542 1.00 1.00 H new ATOM 0 H22 DG C 2 -3.528 4.824 -4.053 1.00 1.00 H new HETATM 395 P AZW C 3 1.600 11.559 -7.796 1.00 1.00 P HETATM 396 OP1 AZW C 3 1.816 12.042 -9.177 1.00 1.00 O HETATM 397 OP2 AZW C 3 2.376 12.170 -6.685 1.00 1.00 O HETATM 398 O5' AZW C 3 0.053 11.708 -7.453 1.00 1.00 O HETATM 399 C5' AZW C 3 -0.921 10.804 -7.977 1.00 1.00 C HETATM 400 C1A AZW C 3 -1.842 10.345 -6.865 1.00 1.00 C HETATM 401 C2A AZW C 3 -3.071 9.752 -7.180 1.00 1.00 C HETATM 402 C6A AZW C 3 -1.474 10.517 -5.520 1.00 1.00 C HETATM 403 C3A AZW C 3 -3.931 9.332 -6.158 1.00 1.00 C HETATM 404 C5A AZW C 3 -2.335 10.098 -4.499 1.00 1.00 C HETATM 405 C4A AZW C 3 -3.564 9.507 -4.816 1.00 1.00 C HETATM 406 N5A AZW C 3 -4.442 9.114 -3.782 1.00 1.00 N HETATM 407 C1B AZW C 3 -7.471 6.828 -0.486 1.00 1.00 C HETATM 408 C2B AZW C 3 -7.966 7.009 -1.789 1.00 1.00 C HETATM 409 C6B AZW C 3 -6.105 6.999 -0.229 1.00 1.00 C HETATM 410 C3B AZW C 3 -7.094 7.359 -2.826 1.00 1.00 C HETATM 411 C5B AZW C 3 -5.234 7.347 -1.268 1.00 1.00 C HETATM 412 C4B AZW C 3 -5.726 7.527 -2.565 1.00 1.00 C HETATM 413 N5B AZW C 3 -4.848 7.893 -3.607 1.00 1.00 N HETATM 414 C3' AZW C 3 -8.402 6.450 0.649 1.00 1.00 C HETATM 415 O3' AZW C 3 -9.673 7.079 0.501 1.00 1.00 O ATOM 428 P DG C 4 -10.940 6.246 -0.030 1.00 1.00 P ATOM 429 OP1 DG C 4 -11.678 7.123 -0.970 1.00 1.00 O ATOM 430 OP2 DG C 4 -11.651 5.664 1.134 1.00 1.00 O ATOM 431 O5' DG C 4 -10.304 5.058 -0.873 1.00 1.00 O ATOM 432 C5' DG C 4 -11.089 3.936 -1.268 1.00 1.00 C ATOM 433 C4' DG C 4 -10.772 3.569 -2.699 1.00 1.00 C ATOM 434 O4' DG C 4 -9.472 4.104 -3.048 1.00 1.00 O ATOM 435 C3' DG C 4 -10.695 2.068 -2.983 1.00 1.00 C ATOM 436 O3' DG C 4 -11.194 1.795 -4.297 1.00 1.00 O ATOM 437 C2' DG C 4 -9.206 1.781 -2.895 1.00 1.00 C ATOM 438 C1' DG C 4 -8.619 3.055 -3.475 1.00 1.00 C ATOM 439 N9 DG C 4 -7.256 3.384 -3.066 1.00 1.00 N ATOM 440 C8 DG C 4 -6.248 3.825 -3.890 1.00 1.00 C ATOM 441 N7 DG C 4 -5.135 4.081 -3.260 1.00 1.00 N ATOM 442 C5 DG C 4 -5.422 3.788 -1.933 1.00 1.00 C ATOM 443 C6 DG C 4 -4.597 3.872 -0.783 1.00 1.00 C ATOM 444 O6 DG C 4 -3.413 4.228 -0.715 1.00 1.00 O ATOM 445 N1 DG C 4 -5.268 3.485 0.372 1.00 1.00 N ATOM 446 C2 DG C 4 -6.578 3.067 0.403 1.00 1.00 C ATOM 447 N2 DG C 4 -7.070 2.725 1.605 1.00 1.00 N ATOM 448 N3 DG C 4 -7.358 2.984 -0.661 1.00 1.00 N ATOM 449 C4 DG C 4 -6.724 3.357 -1.793 1.00 1.00 C ATOM 0 H5' DG C 4 -12.149 4.169 -1.169 1.00 1.00 H new ATOM 0 H5'' DG C 4 -10.886 3.089 -0.612 1.00 1.00 H new ATOM 0 H4' DG C 4 -11.597 3.981 -3.280 1.00 1.00 H new ATOM 0 H3' DG C 4 -11.285 1.458 -2.299 1.00 1.00 H new ATOM 0 H2' DG C 4 -8.881 1.609 -1.869 1.00 1.00 H new ATOM 0 H2'' DG C 4 -8.923 0.900 -3.471 1.00 1.00 H new ATOM 0 H1' DG C 4 -8.557 2.914 -4.554 1.00 1.00 H new ATOM 0 H8 DG C 4 -6.366 3.948 -4.956 1.00 1.00 H new ATOM 0 H1 DG C 4 -4.755 3.513 1.253 1.00 1.00 H new ATOM 0 H21 DG C 4 -8.036 2.407 1.689 1.00 1.00 H new ATOM 0 H22 DG C 4 -6.478 2.783 2.434 1.00 1.00 H new ATOM 461 P DG C 5 -11.368 0.282 -4.805 1.00 1.00 P ATOM 462 OP1 DG C 5 -12.383 0.278 -5.884 1.00 1.00 O ATOM 463 OP2 DG C 5 -11.565 -0.579 -3.615 1.00 1.00 O ATOM 464 O5' DG C 5 -9.960 -0.072 -5.452 1.00 1.00 O ATOM 465 C5' DG C 5 -9.490 0.643 -6.594 1.00 1.00 C ATOM 466 C4' DG C 5 -8.043 0.313 -6.876 1.00 1.00 C ATOM 467 O4' DG C 5 -7.171 1.038 -5.984 1.00 1.00 O ATOM 468 C3' DG C 5 -7.639 -1.138 -6.643 1.00 1.00 C ATOM 469 O3' DG C 5 -8.006 -1.964 -7.752 1.00 1.00 O ATOM 470 C2' DG C 5 -6.129 -1.031 -6.511 1.00 1.00 C ATOM 471 C1' DG C 5 -5.903 0.396 -6.001 1.00 1.00 C ATOM 472 N9 DG C 5 -5.330 0.462 -4.659 1.00 1.00 N ATOM 473 C8 DG C 5 -5.889 0.007 -3.490 1.00 1.00 C ATOM 474 N7 DG C 5 -5.111 0.160 -2.451 1.00 1.00 N ATOM 475 C5 DG C 5 -3.967 0.754 -2.967 1.00 1.00 C ATOM 476 C6 DG C 5 -2.768 1.162 -2.319 1.00 1.00 C ATOM 477 O6 DG C 5 -2.468 1.063 -1.118 1.00 1.00 O ATOM 478 N1 DG C 5 -1.859 1.723 -3.211 1.00 1.00 N ATOM 479 C2 DG C 5 -2.086 1.871 -4.559 1.00 1.00 C ATOM 480 N2 DG C 5 -1.106 2.442 -5.268 1.00 1.00 N ATOM 481 N3 DG C 5 -3.195 1.496 -5.175 1.00 1.00 N ATOM 482 C4 DG C 5 -4.088 0.949 -4.325 1.00 1.00 C ATOM 0 H5' DG C 5 -9.597 1.715 -6.427 1.00 1.00 H new ATOM 0 H5'' DG C 5 -10.100 0.393 -7.462 1.00 1.00 H new ATOM 0 H4' DG C 5 -7.946 0.568 -7.931 1.00 1.00 H new ATOM 0 H3' DG C 5 -8.123 -1.595 -5.780 1.00 1.00 H new ATOM 0 H2' DG C 5 -5.736 -1.771 -5.814 1.00 1.00 H new ATOM 0 H2'' DG C 5 -5.632 -1.197 -7.467 1.00 1.00 H new ATOM 0 HO3' DG C 5 -7.733 -2.889 -7.576 1.00 1.00 H new ATOM 0 H1' DG C 5 -5.185 0.878 -6.664 1.00 1.00 H new ATOM 0 H8 DG C 5 -6.874 -0.433 -3.435 1.00 1.00 H new ATOM 0 H1 DG C 5 -0.965 2.046 -2.840 1.00 1.00 H new ATOM 0 H21 DG C 5 -1.216 2.579 -6.273 1.00 1.00 H new ATOM 0 H22 DG C 5 -0.248 2.741 -4.804 1.00 1.00 H new TER 495 DG C 5 ATOM 496 O5' DG D 1 -6.883 -3.799 2.804 1.00 1.00 O ATOM 497 C5' DG D 1 -7.984 -3.551 3.671 1.00 1.00 C ATOM 498 C4' DG D 1 -7.497 -3.263 5.070 1.00 1.00 C ATOM 499 O4' DG D 1 -6.095 -2.904 5.002 1.00 1.00 O ATOM 500 C3' DG D 1 -8.186 -2.092 5.770 1.00 1.00 C ATOM 501 O3' DG D 1 -8.253 -2.350 7.178 1.00 1.00 O ATOM 502 C2' DG D 1 -7.252 -0.933 5.472 1.00 1.00 C ATOM 503 C1' DG D 1 -5.907 -1.621 5.578 1.00 1.00 C ATOM 504 N9 DG D 1 -4.795 -0.969 4.892 1.00 1.00 N ATOM 505 C8 DG D 1 -3.610 -0.580 5.469 1.00 1.00 C ATOM 506 N7 DG D 1 -2.770 -0.051 4.623 1.00 1.00 N ATOM 507 C5 DG D 1 -3.442 -0.089 3.409 1.00 1.00 C ATOM 508 C6 DG D 1 -3.024 0.350 2.126 1.00 1.00 C ATOM 509 O6 DG D 1 -1.936 0.853 1.806 1.00 1.00 O ATOM 510 N1 DG D 1 -3.999 0.139 1.158 1.00 1.00 N ATOM 511 C2 DG D 1 -5.226 -0.437 1.406 1.00 1.00 C ATOM 512 N2 DG D 1 -6.039 -0.587 0.350 1.00 1.00 N ATOM 513 N3 DG D 1 -5.629 -0.853 2.599 1.00 1.00 N ATOM 514 C4 DG D 1 -4.694 -0.649 3.553 1.00 1.00 C ATOM 0 H5' DG D 1 -8.649 -4.415 3.681 1.00 1.00 H new ATOM 0 H5'' DG D 1 -8.564 -2.706 3.300 1.00 1.00 H new ATOM 0 H4' DG D 1 -7.711 -4.169 5.638 1.00 1.00 H new ATOM 0 H3' DG D 1 -9.209 -1.909 5.441 1.00 1.00 H new ATOM 0 H2' DG D 1 -7.422 -0.508 4.483 1.00 1.00 H new ATOM 0 H2'' DG D 1 -7.359 -0.120 6.191 1.00 1.00 H new ATOM 0 HO5' DG D 1 -6.045 -3.623 3.281 1.00 1.00 H new ATOM 0 H1' DG D 1 -5.619 -1.617 6.629 1.00 1.00 H new ATOM 0 H8 DG D 1 -3.395 -0.701 6.521 1.00 1.00 H new ATOM 0 H1 DG D 1 -3.793 0.429 0.202 1.00 1.00 H new ATOM 0 H21 DG D 1 -6.960 -1.007 0.471 1.00 1.00 H new ATOM 0 H22 DG D 1 -5.736 -0.281 -0.575 1.00 1.00 H new ATOM 527 P DG D 2 -9.148 -1.430 8.142 1.00 1.00 P ATOM 528 OP1 DG D 2 -9.452 -2.231 9.349 1.00 1.00 O ATOM 529 OP2 DG D 2 -10.263 -0.860 7.351 1.00 1.00 O ATOM 530 O5' DG D 2 -8.173 -0.248 8.567 1.00 1.00 O ATOM 531 C5' DG D 2 -7.054 -0.505 9.413 1.00 1.00 C ATOM 532 C4' DG D 2 -6.130 0.689 9.440 1.00 1.00 C ATOM 533 O4' DG D 2 -5.523 0.860 8.134 1.00 1.00 O ATOM 534 C3' DG D 2 -6.809 2.025 9.765 1.00 1.00 C ATOM 535 O3' DG D 2 -6.033 2.732 10.742 1.00 1.00 O ATOM 536 C2' DG D 2 -6.798 2.745 8.427 1.00 1.00 C ATOM 537 C1' DG D 2 -5.487 2.248 7.871 1.00 1.00 C ATOM 538 N9 DG D 2 -5.278 2.479 6.445 1.00 1.00 N ATOM 539 C8 DG D 2 -6.187 2.347 5.423 1.00 1.00 C ATOM 540 N7 DG D 2 -5.703 2.686 4.257 1.00 1.00 N ATOM 541 C5 DG D 2 -4.395 3.064 4.529 1.00 1.00 C ATOM 542 C6 DG D 2 -3.372 3.532 3.662 1.00 1.00 C ATOM 543 O6 DG D 2 -3.431 3.712 2.437 1.00 1.00 O ATOM 544 N1 DG D 2 -2.189 3.804 4.346 1.00 1.00 N ATOM 545 C2 DG D 2 -2.025 3.642 5.703 1.00 1.00 C ATOM 546 N2 DG D 2 -0.826 3.954 6.213 1.00 1.00 N ATOM 547 N3 DG D 2 -2.969 3.209 6.519 1.00 1.00 N ATOM 548 C4 DG D 2 -4.119 2.940 5.871 1.00 1.00 C ATOM 0 H5' DG D 2 -6.514 -1.383 9.057 1.00 1.00 H new ATOM 0 H5'' DG D 2 -7.397 -0.730 10.423 1.00 1.00 H new ATOM 0 H4' DG D 2 -5.416 0.466 10.233 1.00 1.00 H new ATOM 0 H3' DG D 2 -7.812 1.928 10.181 1.00 1.00 H new ATOM 0 H2' DG D 2 -7.647 2.472 7.800 1.00 1.00 H new ATOM 0 H2'' DG D 2 -6.819 3.829 8.537 1.00 1.00 H new ATOM 0 H1' DG D 2 -4.663 2.790 8.334 1.00 1.00 H new ATOM 0 H8 DG D 2 -7.199 1.998 5.568 1.00 1.00 H new ATOM 0 H1 DG D 2 -1.393 4.145 3.806 1.00 1.00 H new ATOM 0 H21 DG D 2 -0.655 3.851 7.213 1.00 1.00 H new ATOM 0 H22 DG D 2 -0.084 4.294 5.601 1.00 1.00 H new HETATM 560 P AZW D 3 -6.414 4.230 11.178 1.00 1.00 P HETATM 561 OP1 AZW D 3 -6.082 4.366 12.612 1.00 1.00 O HETATM 562 OP2 AZW D 3 -7.794 4.523 10.731 1.00 1.00 O HETATM 563 O5' AZW D 3 -5.406 5.143 10.352 1.00 1.00 O HETATM 564 C5' AZW D 3 -3.994 5.013 10.530 1.00 1.00 C HETATM 565 C1A AZW D 3 -3.261 5.716 9.407 1.00 1.00 C HETATM 566 C2A AZW D 3 -1.945 6.160 9.605 1.00 1.00 C HETATM 567 C6A AZW D 3 -3.885 5.915 8.164 1.00 1.00 C HETATM 568 C3A AZW D 3 -1.254 6.797 8.567 1.00 1.00 C HETATM 569 C5A AZW D 3 -3.193 6.552 7.127 1.00 1.00 C HETATM 570 C4A AZW D 3 -1.875 6.994 7.326 1.00 1.00 C HETATM 571 N5A AZW D 3 -1.173 7.628 6.274 1.00 1.00 N HETATM 572 C1B AZW D 3 1.943 10.396 3.386 1.00 1.00 C HETATM 573 C2B AZW D 3 2.098 10.812 4.718 1.00 1.00 C HETATM 574 C6B AZW D 3 1.063 9.351 3.082 1.00 1.00 C HETATM 575 C3B AZW D 3 1.376 10.181 5.740 1.00 1.00 C HETATM 576 C5B AZW D 3 0.340 8.719 4.103 1.00 1.00 C HETATM 577 C4B AZW D 3 0.497 9.132 5.435 1.00 1.00 C HETATM 578 N5B AZW D 3 -0.215 8.488 6.474 1.00 1.00 N HETATM 579 C3' AZW D 3 2.727 11.067 2.276 1.00 1.00 C HETATM 580 O3' AZW D 3 3.698 11.966 2.802 1.00 1.00 O ATOM 593 P DG D 4 5.212 11.479 3.022 1.00 1.00 P ATOM 594 OP1 DG D 4 5.809 12.289 4.111 1.00 1.00 O ATOM 595 OP2 DG D 4 5.867 11.443 1.691 1.00 1.00 O ATOM 596 O5' DG D 4 5.073 9.987 3.552 1.00 1.00 O ATOM 597 C5' DG D 4 6.175 9.084 3.496 1.00 1.00 C ATOM 598 C4' DG D 4 6.269 8.305 4.787 1.00 1.00 C ATOM 599 O4' DG D 4 4.936 7.919 5.208 1.00 1.00 O ATOM 600 C3' DG D 4 7.076 7.010 4.703 1.00 1.00 C ATOM 601 O3' DG D 4 7.787 6.797 5.927 1.00 1.00 O ATOM 602 C2' DG D 4 6.007 5.951 4.509 1.00 1.00 C ATOM 603 C1' DG D 4 4.866 6.507 5.342 1.00 1.00 C ATOM 604 N9 DG D 4 3.537 6.060 4.931 1.00 1.00 N ATOM 605 C8 DG D 4 2.612 5.412 5.712 1.00 1.00 C ATOM 606 N7 DG D 4 1.527 5.082 5.064 1.00 1.00 N ATOM 607 C5 DG D 4 1.747 5.541 3.774 1.00 1.00 C ATOM 608 C6 DG D 4 0.918 5.466 2.624 1.00 1.00 C ATOM 609 O6 DG D 4 -0.207 4.953 2.521 1.00 1.00 O ATOM 610 N1 DG D 4 1.515 6.054 1.511 1.00 1.00 N ATOM 611 C2 DG D 4 2.764 6.640 1.519 1.00 1.00 C ATOM 612 N2 DG D 4 3.181 7.180 0.363 1.00 1.00 N ATOM 613 N3 DG D 4 3.544 6.715 2.584 1.00 1.00 N ATOM 614 C4 DG D 4 2.980 6.149 3.673 1.00 1.00 C ATOM 0 H5' DG D 4 7.100 9.635 3.326 1.00 1.00 H new ATOM 0 H5'' DG D 4 6.053 8.400 2.656 1.00 1.00 H new ATOM 0 H4' DG D 4 6.777 8.975 5.481 1.00 1.00 H new ATOM 0 H3' DG D 4 7.823 7.009 3.909 1.00 1.00 H new ATOM 0 H2' DG D 4 5.730 5.836 3.461 1.00 1.00 H new ATOM 0 H2'' DG D 4 6.332 4.972 4.862 1.00 1.00 H new ATOM 0 H1' DG D 4 4.986 6.150 6.365 1.00 1.00 H new ATOM 0 H8 DG D 4 2.766 5.196 6.759 1.00 1.00 H new ATOM 0 H1 DG D 4 0.995 6.051 0.633 1.00 1.00 H new ATOM 0 H21 DG D 4 4.096 7.627 0.310 1.00 1.00 H new ATOM 0 H22 DG D 4 2.583 7.143 -0.462 1.00 1.00 H new ATOM 626 P DG D 5 8.874 5.623 6.045 1.00 1.00 P ATOM 627 OP1 DG D 5 9.809 6.010 7.128 1.00 1.00 O ATOM 628 OP2 DG D 5 9.411 5.330 4.695 1.00 1.00 O ATOM 629 O5' DG D 5 8.037 4.361 6.533 1.00 1.00 O ATOM 630 C5' DG D 5 7.264 4.411 7.731 1.00 1.00 C ATOM 631 C4' DG D 5 6.289 3.258 7.793 1.00 1.00 C ATOM 632 O4' DG D 5 5.183 3.480 6.895 1.00 1.00 O ATOM 633 C3' DG D 5 6.837 1.907 7.344 1.00 1.00 C ATOM 634 O3' DG D 5 7.484 1.238 8.428 1.00 1.00 O ATOM 635 C2' DG D 5 5.596 1.151 6.897 1.00 1.00 C ATOM 636 C1' DG D 5 4.533 2.233 6.709 1.00 1.00 C ATOM 637 N9 DG D 5 3.906 2.225 5.392 1.00 1.00 N ATOM 638 C8 DG D 5 4.473 2.594 4.198 1.00 1.00 C ATOM 639 N7 DG D 5 3.664 2.468 3.179 1.00 1.00 N ATOM 640 C5 DG D 5 2.488 1.982 3.736 1.00 1.00 C ATOM 641 C6 DG D 5 1.249 1.645 3.125 1.00 1.00 C ATOM 642 O6 DG D 5 0.940 1.704 1.923 1.00 1.00 O ATOM 643 N1 DG D 5 0.318 1.187 4.053 1.00 1.00 N ATOM 644 C2 DG D 5 0.561 1.072 5.405 1.00 1.00 C ATOM 645 N2 DG D 5 -0.452 0.625 6.158 1.00 1.00 N ATOM 646 N3 DG D 5 1.709 1.380 5.985 1.00 1.00 N ATOM 647 C4 DG D 5 2.622 1.827 5.099 1.00 1.00 C ATOM 0 H5' DG D 5 6.721 5.355 7.779 1.00 1.00 H new ATOM 0 H5'' DG D 5 7.925 4.380 8.597 1.00 1.00 H new ATOM 0 H4' DG D 5 6.027 3.223 8.850 1.00 1.00 H new ATOM 0 H3' DG D 5 7.586 1.990 6.557 1.00 1.00 H new ATOM 0 H2' DG D 5 5.776 0.607 5.970 1.00 1.00 H new ATOM 0 H2'' DG D 5 5.288 0.418 7.643 1.00 1.00 H new ATOM 0 HO3' DG D 5 7.827 0.373 8.121 1.00 1.00 H new ATOM 0 H1' DG D 5 3.733 2.050 7.426 1.00 1.00 H new ATOM 0 H8 DG D 5 5.488 2.953 4.109 1.00 1.00 H new ATOM 0 H1 DG D 5 -0.604 0.919 3.710 1.00 1.00 H new ATOM 0 H21 DG D 5 -0.331 0.519 7.165 1.00 1.00 H new ATOM 0 H22 DG D 5 -1.345 0.390 5.724 1.00 1.00 H new TER 660 DG D 5 HETATM 661 K K A 101 1.042 -3.927 -0.780 1.00 1.00 K HETATM 662 K K A 102 -0.191 -0.330 0.046 1.00 1.00 K HETATM 663 K K C 101 -1.376 3.304 0.775 1.00 1.00 K