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= 0.508 USER MOD Single : A 5 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot -11:sc= 0.566 USER MOD Single : B 5 DG O3' : rot 180:sc= 0 USER MOD Single : C 1 DG O5' : rot -70:sc= 0.843 USER MOD Single : C 5 DG O3' : rot 180:sc= 0 USER MOD Single : D 1 DG O5' : rot 54:sc= 1.18 USER MOD Single : D 5 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -7.893 -2.706 -0.992 1.00 1.00 O ATOM 2 C5' DG A 1 -8.518 -3.874 -1.535 1.00 1.00 C ATOM 3 C4' DG A 1 -8.227 -3.980 -3.013 1.00 1.00 C ATOM 4 O4' DG A 1 -7.024 -3.223 -3.294 1.00 1.00 O ATOM 5 C3' DG A 1 -7.963 -5.395 -3.530 1.00 1.00 C ATOM 6 O3' DG A 1 -8.500 -5.538 -4.849 1.00 1.00 O ATOM 7 C2' DG A 1 -6.449 -5.475 -3.556 1.00 1.00 C ATOM 8 C1' DG A 1 -6.080 -4.058 -3.943 1.00 1.00 C ATOM 9 N9 DG A 1 -4.739 -3.633 -3.551 1.00 1.00 N ATOM 10 C8 DG A 1 -3.773 -3.123 -4.382 1.00 1.00 C ATOM 11 N7 DG A 1 -2.655 -2.844 -3.769 1.00 1.00 N ATOM 12 C5 DG A 1 -2.899 -3.191 -2.447 1.00 1.00 C ATOM 13 C6 DG A 1 -2.052 -3.111 -1.315 1.00 1.00 C ATOM 14 O6 DG A 1 -0.888 -2.688 -1.263 1.00 1.00 O ATOM 15 N1 DG A 1 -2.677 -3.565 -0.157 1.00 1.00 N ATOM 16 C2 DG A 1 -3.972 -4.033 -0.110 1.00 1.00 C ATOM 17 N2 DG A 1 -4.427 -4.418 1.093 1.00 1.00 N ATOM 18 N3 DG A 1 -4.773 -4.113 -1.162 1.00 1.00 N ATOM 19 C4 DG A 1 -4.179 -3.679 -2.293 1.00 1.00 C ATOM 0 H5' DG A 1 -9.595 -3.829 -1.371 1.00 1.00 H new ATOM 0 H5'' DG A 1 -8.154 -4.763 -1.020 1.00 1.00 H new ATOM 0 H4' DG A 1 -9.125 -3.611 -3.508 1.00 1.00 H new ATOM 0 H3' DG A 1 -8.419 -6.177 -2.922 1.00 1.00 H new ATOM 0 H2' DG A 1 -6.036 -5.757 -2.587 1.00 1.00 H new ATOM 0 H2'' DG A 1 -6.089 -6.205 -4.281 1.00 1.00 H new ATOM 0 HO5' DG A 1 -7.284 -2.322 -1.657 1.00 1.00 H new ATOM 0 H1' DG A 1 -6.090 -3.996 -5.031 1.00 1.00 H new ATOM 0 H8 DG A 1 -3.923 -2.968 -5.440 1.00 1.00 H new ATOM 0 H1 DG A 1 -2.142 -3.550 0.712 1.00 1.00 H new ATOM 0 H21 DG A 1 -5.378 -4.773 1.189 1.00 1.00 H new ATOM 0 H22 DG A 1 -3.821 -4.355 1.911 1.00 1.00 H new ATOM 32 P DG A 2 -8.517 -6.975 -5.563 1.00 1.00 P ATOM 33 OP1 DG A 2 -9.611 -6.958 -6.560 1.00 1.00 O ATOM 34 OP2 DG A 2 -8.501 -8.026 -4.518 1.00 1.00 O ATOM 35 O5' DG A 2 -7.137 -7.034 -6.351 1.00 1.00 O ATOM 36 C5' DG A 2 -6.857 -6.102 -7.392 1.00 1.00 C ATOM 37 C4' DG A 2 -5.468 -6.335 -7.935 1.00 1.00 C ATOM 38 O4' DG A 2 -4.493 -5.853 -6.974 1.00 1.00 O ATOM 39 C3' DG A 2 -5.117 -7.804 -8.184 1.00 1.00 C ATOM 40 O3' DG A 2 -4.373 -7.926 -9.402 1.00 1.00 O ATOM 41 C2' DG A 2 -4.253 -8.151 -6.986 1.00 1.00 C ATOM 42 C1' DG A 2 -3.503 -6.852 -6.796 1.00 1.00 C ATOM 43 N9 DG A 2 -2.877 -6.693 -5.488 1.00 1.00 N ATOM 44 C8 DG A 2 -3.375 -7.107 -4.276 1.00 1.00 C ATOM 45 N7 DG A 2 -2.568 -6.874 -3.279 1.00 1.00 N ATOM 46 C5 DG A 2 -1.468 -6.268 -3.866 1.00 1.00 C ATOM 47 C6 DG A 2 -0.269 -5.790 -3.279 1.00 1.00 C ATOM 48 O6 DG A 2 0.058 -5.808 -2.085 1.00 1.00 O ATOM 49 N1 DG A 2 0.595 -5.241 -4.224 1.00 1.00 N ATOM 50 C2 DG A 2 0.322 -5.168 -5.572 1.00 1.00 C ATOM 51 N2 DG A 2 1.261 -4.601 -6.344 1.00 1.00 N ATOM 52 N3 DG A 2 -0.794 -5.611 -6.134 1.00 1.00 N ATOM 53 C4 DG A 2 -1.640 -6.146 -5.228 1.00 1.00 C ATOM 0 H5' DG A 2 -6.942 -5.084 -7.012 1.00 1.00 H new ATOM 0 H5'' DG A 2 -7.591 -6.206 -8.191 1.00 1.00 H new ATOM 0 H4' DG A 2 -5.447 -5.809 -8.890 1.00 1.00 H new ATOM 0 H3' DG A 2 -5.985 -8.456 -8.287 1.00 1.00 H new ATOM 0 H2' DG A 2 -4.846 -8.418 -6.111 1.00 1.00 H new ATOM 0 H2'' DG A 2 -3.585 -8.989 -7.186 1.00 1.00 H new ATOM 0 H1' DG A 2 -2.671 -6.803 -7.498 1.00 1.00 H new ATOM 0 H8 DG A 2 -4.340 -7.579 -4.161 1.00 1.00 H new ATOM 0 H1 DG A 2 1.487 -4.869 -3.897 1.00 1.00 H new ATOM 0 H21 DG A 2 1.113 -4.520 -7.350 1.00 1.00 H new ATOM 0 H22 DG A 2 2.123 -4.251 -5.925 1.00 1.00 H new HETATM 65 P AZW A 3 -4.029 -9.369 -10.013 1.00 1.00 P HETATM 66 OP1 AZW A 3 -4.388 -9.365 -11.449 1.00 1.00 O HETATM 67 OP2 AZW A 3 -4.616 -10.398 -9.121 1.00 1.00 O HETATM 68 O5' AZW A 3 -2.445 -9.464 -9.892 1.00 1.00 O HETATM 69 C5' AZW A 3 -1.609 -8.413 -10.373 1.00 1.00 C HETATM 70 C1A AZW A 3 -0.364 -8.310 -9.520 1.00 1.00 C HETATM 71 C2A AZW A 3 0.774 -7.674 -10.031 1.00 1.00 C HETATM 72 C6A AZW A 3 -0.340 -8.851 -8.225 1.00 1.00 C HETATM 73 C3A AZW A 3 1.933 -7.579 -9.253 1.00 1.00 C HETATM 74 C5A AZW A 3 0.822 -8.755 -7.449 1.00 1.00 C HETATM 75 C4A AZW A 3 1.957 -8.120 -7.964 1.00 1.00 C HETATM 76 N5A AZW A 3 3.129 -8.027 -7.187 1.00 1.00 N HETATM 77 C1B AZW A 3 7.018 -6.697 -4.293 1.00 1.00 C HETATM 78 C2B AZW A 3 7.046 -6.370 -5.657 1.00 1.00 C HETATM 79 C6B AZW A 3 5.816 -7.097 -3.695 1.00 1.00 C HETATM 80 C3B AZW A 3 5.874 -6.446 -6.418 1.00 1.00 C HETATM 81 C5B AZW A 3 4.646 -7.173 -4.458 1.00 1.00 C HETATM 82 C4B AZW A 3 4.674 -6.847 -5.820 1.00 1.00 C HETATM 83 N5B AZW A 3 3.500 -6.933 -6.591 1.00 1.00 N HETATM 84 C3' AZW A 3 8.282 -6.621 -3.466 1.00 1.00 C HETATM 85 O3' AZW A 3 9.430 -6.888 -4.266 1.00 1.00 O ATOM 98 P DG A 4 10.480 -5.713 -4.574 1.00 1.00 P ATOM 99 OP1 DG A 4 11.203 -6.056 -5.821 1.00 1.00 O ATOM 100 OP2 DG A 4 11.250 -5.462 -3.331 1.00 1.00 O ATOM 101 O5' DG A 4 9.565 -4.445 -4.868 1.00 1.00 O ATOM 102 C5' DG A 4 10.134 -3.158 -5.098 1.00 1.00 C ATOM 103 C4' DG A 4 9.428 -2.495 -6.258 1.00 1.00 C ATOM 104 O4' DG A 4 8.119 -3.097 -6.414 1.00 1.00 O ATOM 105 C3' DG A 4 9.175 -0.994 -6.110 1.00 1.00 C ATOM 106 O3' DG A 4 9.222 -0.371 -7.402 1.00 1.00 O ATOM 107 C2' DG A 4 7.775 -0.957 -5.524 1.00 1.00 C ATOM 108 C1' DG A 4 7.114 -2.107 -6.262 1.00 1.00 C ATOM 109 N9 DG A 4 5.964 -2.716 -5.598 1.00 1.00 N ATOM 110 C8 DG A 4 4.761 -3.019 -6.189 1.00 1.00 C ATOM 111 N7 DG A 4 3.897 -3.549 -5.368 1.00 1.00 N ATOM 112 C5 DG A 4 4.567 -3.598 -4.155 1.00 1.00 C ATOM 113 C6 DG A 4 4.131 -4.074 -2.895 1.00 1.00 C ATOM 114 O6 DG A 4 3.025 -4.549 -2.602 1.00 1.00 O ATOM 115 N1 DG A 4 5.114 -3.952 -1.917 1.00 1.00 N ATOM 116 C2 DG A 4 6.367 -3.427 -2.141 1.00 1.00 C ATOM 117 N2 DG A 4 7.200 -3.385 -1.089 1.00 1.00 N ATOM 118 N3 DG A 4 6.787 -2.978 -3.313 1.00 1.00 N ATOM 119 C4 DG A 4 5.844 -3.092 -4.274 1.00 1.00 C ATOM 0 H5' DG A 4 11.199 -3.252 -5.312 1.00 1.00 H new ATOM 0 H5'' DG A 4 10.042 -2.543 -4.203 1.00 1.00 H new ATOM 0 H4' DG A 4 10.100 -2.637 -7.104 1.00 1.00 H new ATOM 0 H3' DG A 4 9.904 -0.467 -5.495 1.00 1.00 H new ATOM 0 H2' DG A 4 7.777 -1.108 -4.445 1.00 1.00 H new ATOM 0 H2'' DG A 4 7.276 -0.007 -5.712 1.00 1.00 H new ATOM 0 H1' DG A 4 6.715 -1.708 -7.194 1.00 1.00 H new ATOM 0 H8 DG A 4 4.551 -2.836 -7.232 1.00 1.00 H new ATOM 0 H1 DG A 4 4.892 -4.272 -0.974 1.00 1.00 H new ATOM 0 H21 DG A 4 8.141 -3.006 -1.198 1.00 1.00 H new ATOM 0 H22 DG A 4 6.892 -3.732 -0.181 1.00 1.00 H new ATOM 131 P DG A 5 8.909 1.194 -7.587 1.00 1.00 P ATOM 132 OP1 DG A 5 9.582 1.644 -8.830 1.00 1.00 O ATOM 133 OP2 DG A 5 9.224 1.878 -6.310 1.00 1.00 O ATOM 134 O5' DG A 5 7.335 1.246 -7.822 1.00 1.00 O ATOM 135 C5' DG A 5 6.767 0.755 -9.036 1.00 1.00 C ATOM 136 C4' DG A 5 5.258 0.754 -8.959 1.00 1.00 C ATOM 137 O4' DG A 5 4.821 -0.101 -7.884 1.00 1.00 O ATOM 138 C3' DG A 5 4.622 2.105 -8.639 1.00 1.00 C ATOM 139 O3' DG A 5 4.327 2.822 -9.842 1.00 1.00 O ATOM 140 C2' DG A 5 3.346 1.747 -7.893 1.00 1.00 C ATOM 141 C1' DG A 5 3.498 0.273 -7.540 1.00 1.00 C ATOM 142 N9 DG A 5 3.300 -0.012 -6.122 1.00 1.00 N ATOM 143 C8 DG A 5 4.178 0.248 -5.101 1.00 1.00 C ATOM 144 N7 DG A 5 3.735 -0.125 -3.930 1.00 1.00 N ATOM 145 C5 DG A 5 2.482 -0.659 -4.196 1.00 1.00 C ATOM 146 C6 DG A 5 1.518 -1.225 -3.319 1.00 1.00 C ATOM 147 O6 DG A 5 1.580 -1.353 -2.085 1.00 1.00 O ATOM 148 N1 DG A 5 0.380 -1.648 -4.000 1.00 1.00 N ATOM 149 C2 DG A 5 0.201 -1.533 -5.361 1.00 1.00 C ATOM 150 N2 DG A 5 -0.961 -1.986 -5.852 1.00 1.00 N ATOM 151 N3 DG A 5 1.089 -1.008 -6.188 1.00 1.00 N ATOM 152 C4 DG A 5 2.200 -0.596 -5.543 1.00 1.00 C ATOM 0 H5' DG A 5 7.127 -0.256 -9.229 1.00 1.00 H new ATOM 0 H5'' DG A 5 7.093 1.374 -9.872 1.00 1.00 H new ATOM 0 H4' DG A 5 4.951 0.433 -9.954 1.00 1.00 H new ATOM 0 H3' DG A 5 5.278 2.751 -8.055 1.00 1.00 H new ATOM 0 H2' DG A 5 3.227 2.357 -6.998 1.00 1.00 H new ATOM 0 H2'' DG A 5 2.465 1.916 -8.513 1.00 1.00 H new ATOM 0 HO3' DG A 5 3.919 3.684 -9.617 1.00 1.00 H new ATOM 0 H1' DG A 5 2.734 -0.283 -8.084 1.00 1.00 H new ATOM 0 H8 DG A 5 5.140 0.715 -5.250 1.00 1.00 H new ATOM 0 H1 DG A 5 -0.371 -2.071 -3.455 1.00 1.00 H new ATOM 0 H21 DG A 5 -1.149 -1.927 -6.853 1.00 1.00 H new ATOM 0 H22 DG A 5 -1.657 -2.390 -5.225 1.00 1.00 H new TER 165 DG A 5 ATOM 166 O5' DG B 1 7.376 2.459 1.170 1.00 1.00 O ATOM 167 C5' DG B 1 8.705 2.028 1.464 1.00 1.00 C ATOM 168 C4' DG B 1 8.758 1.356 2.815 1.00 1.00 C ATOM 169 O4' DG B 1 7.408 1.016 3.210 1.00 1.00 O ATOM 170 C3' DG B 1 9.551 0.048 2.859 1.00 1.00 C ATOM 171 O3' DG B 1 10.220 -0.079 4.120 1.00 1.00 O ATOM 172 C2' DG B 1 8.471 -1.006 2.706 1.00 1.00 C ATOM 173 C1' DG B 1 7.323 -0.377 3.466 1.00 1.00 C ATOM 174 N9 DG B 1 5.993 -0.839 3.080 1.00 1.00 N ATOM 175 C8 DG B 1 5.065 -1.415 3.911 1.00 1.00 C ATOM 176 N7 DG B 1 3.954 -1.734 3.308 1.00 1.00 N ATOM 177 C5 DG B 1 4.159 -1.346 1.992 1.00 1.00 C ATOM 178 C6 DG B 1 3.299 -1.444 0.870 1.00 1.00 C ATOM 179 O6 DG B 1 2.146 -1.896 0.829 1.00 1.00 O ATOM 180 N1 DG B 1 3.884 -0.941 -0.287 1.00 1.00 N ATOM 181 C2 DG B 1 5.148 -0.399 -0.341 1.00 1.00 C ATOM 182 N2 DG B 1 5.542 0.072 -1.533 1.00 1.00 N ATOM 183 N3 DG B 1 5.963 -0.301 0.700 1.00 1.00 N ATOM 184 C4 DG B 1 5.410 -0.791 1.830 1.00 1.00 C ATOM 0 H5' DG B 1 9.382 2.882 1.450 1.00 1.00 H new ATOM 0 H5'' DG B 1 9.048 1.337 0.694 1.00 1.00 H new ATOM 0 H4' DG B 1 9.256 2.070 3.472 1.00 1.00 H new ATOM 0 H3' DG B 1 10.327 -0.024 2.097 1.00 1.00 H new ATOM 0 H2' DG B 1 8.220 -1.187 1.661 1.00 1.00 H new ATOM 0 H2'' DG B 1 8.769 -1.964 3.133 1.00 1.00 H new ATOM 0 HO5' DG B 1 6.756 2.079 1.827 1.00 1.00 H new ATOM 0 H1' DG B 1 7.426 -0.654 4.515 1.00 1.00 H new ATOM 0 H8 DG B 1 5.238 -1.587 4.963 1.00 1.00 H new ATOM 0 H1 DG B 1 3.342 -0.976 -1.150 1.00 1.00 H new ATOM 0 H21 DG B 1 6.468 0.486 -1.637 1.00 1.00 H new ATOM 0 H22 DG B 1 4.915 0.016 -2.336 1.00 1.00 H new ATOM 197 P DG B 2 11.283 -1.259 4.355 1.00 1.00 P ATOM 198 OP1 DG B 2 12.246 -0.782 5.375 1.00 1.00 O ATOM 199 OP2 DG B 2 11.791 -1.714 3.040 1.00 1.00 O ATOM 200 O5' DG B 2 10.426 -2.434 5.000 1.00 1.00 O ATOM 201 C5' DG B 2 9.726 -2.240 6.228 1.00 1.00 C ATOM 202 C4' DG B 2 8.824 -3.420 6.510 1.00 1.00 C ATOM 203 O4' DG B 2 7.696 -3.394 5.597 1.00 1.00 O ATOM 204 C3' DG B 2 9.479 -4.791 6.324 1.00 1.00 C ATOM 205 O3' DG B 2 9.052 -5.682 7.362 1.00 1.00 O ATOM 206 C2' DG B 2 8.942 -5.236 4.976 1.00 1.00 C ATOM 207 C1' DG B 2 7.534 -4.695 5.057 1.00 1.00 C ATOM 208 N9 DG B 2 6.830 -4.607 3.782 1.00 1.00 N ATOM 209 C8 DG B 2 7.343 -4.210 2.571 1.00 1.00 C ATOM 210 N7 DG B 2 6.475 -4.268 1.599 1.00 1.00 N ATOM 211 C5 DG B 2 5.317 -4.735 2.205 1.00 1.00 C ATOM 212 C6 DG B 2 4.040 -5.004 1.653 1.00 1.00 C ATOM 213 O6 DG B 2 3.672 -4.861 0.478 1.00 1.00 O ATOM 214 N1 DG B 2 3.142 -5.469 2.610 1.00 1.00 N ATOM 215 C2 DG B 2 3.451 -5.648 3.943 1.00 1.00 C ATOM 216 N2 DG B 2 2.472 -6.112 4.734 1.00 1.00 N ATOM 217 N3 DG B 2 4.637 -5.397 4.470 1.00 1.00 N ATOM 218 C4 DG B 2 5.518 -4.949 3.551 1.00 1.00 C ATOM 0 H5' DG B 2 9.135 -1.326 6.177 1.00 1.00 H new ATOM 0 H5'' DG B 2 10.438 -2.114 7.044 1.00 1.00 H new ATOM 0 H4' DG B 2 8.547 -3.311 7.559 1.00 1.00 H new ATOM 0 H3' DG B 2 10.568 -4.772 6.367 1.00 1.00 H new ATOM 0 H2' DG B 2 9.503 -4.811 4.144 1.00 1.00 H new ATOM 0 H2'' DG B 2 8.965 -6.319 4.856 1.00 1.00 H new ATOM 0 H1' DG B 2 6.920 -5.370 5.653 1.00 1.00 H new ATOM 0 H8 DG B 2 8.363 -3.882 2.437 1.00 1.00 H new ATOM 0 H1 DG B 2 2.194 -5.692 2.306 1.00 1.00 H new ATOM 0 H21 DG B 2 2.647 -6.262 5.728 1.00 1.00 H new ATOM 0 H22 DG B 2 1.552 -6.314 4.342 1.00 1.00 H new HETATM 230 P AZW B 3 9.676 -7.157 7.474 1.00 1.00 P HETATM 231 OP1 AZW B 3 9.771 -7.513 8.908 1.00 1.00 O HETATM 232 OP2 AZW B 3 10.902 -7.200 6.641 1.00 1.00 O HETATM 233 O5' AZW B 3 8.590 -8.095 6.789 1.00 1.00 O HETATM 234 C5' AZW B 3 7.544 -8.700 7.546 1.00 1.00 C HETATM 235 C1A AZW B 3 6.478 -9.214 6.604 1.00 1.00 C HETATM 236 C2A AZW B 3 5.943 -10.500 6.774 1.00 1.00 C HETATM 237 C6A AZW B 3 6.025 -8.404 5.557 1.00 1.00 C HETATM 238 C3A AZW B 3 4.957 -10.970 5.897 1.00 1.00 C HETATM 239 C5A AZW B 3 5.040 -8.873 4.683 1.00 1.00 C HETATM 240 C4A AZW B 3 4.506 -10.153 4.851 1.00 1.00 C HETATM 241 N5A AZW B 3 3.512 -10.615 3.964 1.00 1.00 N HETATM 242 C1B AZW B 3 -0.602 -11.281 1.106 1.00 1.00 C HETATM 243 C2B AZW B 3 -0.610 -11.713 2.442 1.00 1.00 C HETATM 244 C6B AZW B 3 0.410 -10.420 0.656 1.00 1.00 C HETATM 245 C3B AZW B 3 0.391 -11.285 3.322 1.00 1.00 C HETATM 246 C5B AZW B 3 1.409 -9.993 1.538 1.00 1.00 C HETATM 247 C4B AZW B 3 1.399 -10.424 2.871 1.00 1.00 C HETATM 248 N5B AZW B 3 2.398 -9.976 3.761 1.00 1.00 N HETATM 249 C3' AZW B 3 -1.679 -11.731 0.143 1.00 1.00 C HETATM 250 O3' AZW B 3 -2.438 -12.807 0.685 1.00 1.00 O ATOM 263 P DG B 4 -3.950 -12.553 1.158 1.00 1.00 P ATOM 264 OP1 DG B 4 -4.391 -13.720 1.955 1.00 1.00 O ATOM 265 OP2 DG B 4 -4.729 -12.154 -0.037 1.00 1.00 O ATOM 266 O5' DG B 4 -3.840 -11.300 2.132 1.00 1.00 O ATOM 267 C5' DG B 4 -5.008 -10.617 2.586 1.00 1.00 C ATOM 268 C4' DG B 4 -4.827 -10.182 4.023 1.00 1.00 C ATOM 269 O4' DG B 4 -3.437 -9.826 4.238 1.00 1.00 O ATOM 270 C3' DG B 4 -5.633 -8.948 4.427 1.00 1.00 C ATOM 271 O3' DG B 4 -5.986 -9.029 5.813 1.00 1.00 O ATOM 272 C2' DG B 4 -4.653 -7.816 4.183 1.00 1.00 C ATOM 273 C1' DG B 4 -3.339 -8.453 4.597 1.00 1.00 C ATOM 274 N9 DG B 4 -2.149 -7.892 3.960 1.00 1.00 N ATOM 275 C8 DG B 4 -1.015 -7.439 4.595 1.00 1.00 C ATOM 276 N7 DG B 4 -0.125 -6.949 3.778 1.00 1.00 N ATOM 277 C5 DG B 4 -0.703 -7.085 2.524 1.00 1.00 C ATOM 278 C6 DG B 4 -0.206 -6.722 1.247 1.00 1.00 C ATOM 279 O6 DG B 4 0.875 -6.186 0.973 1.00 1.00 O ATOM 280 N1 DG B 4 -1.105 -7.028 0.228 1.00 1.00 N ATOM 281 C2 DG B 4 -2.333 -7.615 0.430 1.00 1.00 C ATOM 282 N2 DG B 4 -3.074 -7.851 -0.662 1.00 1.00 N ATOM 283 N3 DG B 4 -2.808 -7.957 1.615 1.00 1.00 N ATOM 284 C4 DG B 4 -1.949 -7.665 2.615 1.00 1.00 C ATOM 0 H5' DG B 4 -5.877 -11.270 2.502 1.00 1.00 H new ATOM 0 H5'' DG B 4 -5.199 -9.748 1.956 1.00 1.00 H new ATOM 0 H4' DG B 4 -5.171 -11.028 4.618 1.00 1.00 H new ATOM 0 H3' DG B 4 -6.568 -8.829 3.880 1.00 1.00 H new ATOM 0 H2' DG B 4 -4.644 -7.500 3.140 1.00 1.00 H new ATOM 0 H2'' DG B 4 -4.887 -6.935 4.781 1.00 1.00 H new ATOM 0 H1' DG B 4 -3.205 -8.273 5.664 1.00 1.00 H new ATOM 0 H8 DG B 4 -0.876 -7.485 5.665 1.00 1.00 H new ATOM 0 H1 DG B 4 -0.836 -6.802 -0.730 1.00 1.00 H new ATOM 0 H21 DG B 4 -3.993 -8.284 -0.571 1.00 1.00 H new ATOM 0 H22 DG B 4 -2.719 -7.597 -1.584 1.00 1.00 H new ATOM 296 P DG B 5 -6.863 -7.869 6.493 1.00 1.00 P ATOM 297 OP1 DG B 5 -7.553 -8.463 7.662 1.00 1.00 O ATOM 298 OP2 DG B 5 -7.661 -7.198 5.440 1.00 1.00 O ATOM 299 O5' DG B 5 -5.793 -6.822 7.029 1.00 1.00 O ATOM 300 C5' DG B 5 -4.852 -7.181 8.036 1.00 1.00 C ATOM 301 C4' DG B 5 -3.856 -6.062 8.238 1.00 1.00 C ATOM 302 O4' DG B 5 -2.925 -6.023 7.135 1.00 1.00 O ATOM 303 C3' DG B 5 -4.445 -4.654 8.257 1.00 1.00 C ATOM 304 O3' DG B 5 -4.902 -4.301 9.567 1.00 1.00 O ATOM 305 C2' DG B 5 -3.272 -3.782 7.837 1.00 1.00 C ATOM 306 C1' DG B 5 -2.343 -4.728 7.081 1.00 1.00 C ATOM 307 N9 DG B 5 -2.163 -4.369 5.678 1.00 1.00 N ATOM 308 C8 DG B 5 -3.100 -4.459 4.679 1.00 1.00 C ATOM 309 N7 DG B 5 -2.657 -4.061 3.516 1.00 1.00 N ATOM 310 C5 DG B 5 -1.346 -3.681 3.765 1.00 1.00 C ATOM 311 C6 DG B 5 -0.358 -3.160 2.886 1.00 1.00 C ATOM 312 O6 DG B 5 -0.455 -2.929 1.670 1.00 1.00 O ATOM 313 N1 DG B 5 0.841 -2.904 3.544 1.00 1.00 N ATOM 314 C2 DG B 5 1.052 -3.125 4.887 1.00 1.00 C ATOM 315 N2 DG B 5 2.266 -2.819 5.362 1.00 1.00 N ATOM 316 N3 DG B 5 0.141 -3.609 5.715 1.00 1.00 N ATOM 317 C4 DG B 5 -1.026 -3.863 5.093 1.00 1.00 C ATOM 0 H5' DG B 5 -4.331 -8.095 7.749 1.00 1.00 H new ATOM 0 H5'' DG B 5 -5.371 -7.390 8.972 1.00 1.00 H new ATOM 0 H4' DG B 5 -3.417 -6.292 9.209 1.00 1.00 H new ATOM 0 H3' DG B 5 -5.314 -4.548 7.607 1.00 1.00 H new ATOM 0 H2' DG B 5 -3.598 -2.956 7.204 1.00 1.00 H new ATOM 0 H2'' DG B 5 -2.774 -3.344 8.702 1.00 1.00 H new ATOM 0 HO3' DG B 5 -5.273 -3.394 9.551 1.00 1.00 H new ATOM 0 H1' DG B 5 -1.361 -4.678 7.551 1.00 1.00 H new ATOM 0 H8 DG B 5 -4.104 -4.823 4.839 1.00 1.00 H new ATOM 0 H1 DG B 5 1.615 -2.528 2.996 1.00 1.00 H new ATOM 0 H21 DG B 5 2.478 -2.962 6.349 1.00 1.00 H new ATOM 0 H22 DG B 5 2.978 -2.443 4.736 1.00 1.00 H new TER 330 DG B 5 ATOM 331 O5' DG C 1 6.779 2.447 -2.835 1.00 1.00 O ATOM 332 C5' DG C 1 7.314 3.601 -3.480 1.00 1.00 C ATOM 333 C4' DG C 1 6.613 3.851 -4.795 1.00 1.00 C ATOM 334 O4' DG C 1 5.347 3.150 -4.789 1.00 1.00 O ATOM 335 C3' DG C 1 6.275 5.314 -5.082 1.00 1.00 C ATOM 336 O3' DG C 1 6.359 5.556 -6.491 1.00 1.00 O ATOM 337 C2' DG C 1 4.842 5.424 -4.591 1.00 1.00 C ATOM 338 C1' DG C 1 4.291 4.076 -5.008 1.00 1.00 C ATOM 339 N9 DG C 1 3.118 3.617 -4.268 1.00 1.00 N ATOM 340 C8 DG C 1 1.877 3.340 -4.792 1.00 1.00 C ATOM 341 N7 DG C 1 1.030 2.887 -3.908 1.00 1.00 N ATOM 342 C5 DG C 1 1.754 2.866 -2.724 1.00 1.00 C ATOM 343 C6 DG C 1 1.357 2.469 -1.423 1.00 1.00 C ATOM 344 O6 DG C 1 0.257 2.022 -1.061 1.00 1.00 O ATOM 345 N1 DG C 1 2.388 2.605 -0.498 1.00 1.00 N ATOM 346 C2 DG C 1 3.650 3.065 -0.806 1.00 1.00 C ATOM 347 N2 DG C 1 4.531 3.122 0.207 1.00 1.00 N ATOM 348 N3 DG C 1 4.033 3.437 -2.018 1.00 1.00 N ATOM 349 C4 DG C 1 3.041 3.314 -2.926 1.00 1.00 C ATOM 0 H5' DG C 1 8.382 3.466 -3.651 1.00 1.00 H new ATOM 0 H5'' DG C 1 7.203 4.470 -2.832 1.00 1.00 H new ATOM 0 H4' DG C 1 7.314 3.510 -5.557 1.00 1.00 H new ATOM 0 H3' DG C 1 6.942 6.033 -4.607 1.00 1.00 H new ATOM 0 H2' DG C 1 4.786 5.577 -3.513 1.00 1.00 H new ATOM 0 H2'' DG C 1 4.308 6.251 -5.059 1.00 1.00 H new ATOM 0 HO5' DG C 1 5.873 2.641 -2.516 1.00 1.00 H new ATOM 0 H1' DG C 1 3.956 4.160 -6.042 1.00 1.00 H new ATOM 0 H8 DG C 1 1.628 3.483 -5.833 1.00 1.00 H new ATOM 0 H1 DG C 1 2.197 2.348 0.470 1.00 1.00 H new ATOM 0 H21 DG C 1 5.481 3.454 0.039 1.00 1.00 H new ATOM 0 H22 DG C 1 4.250 2.833 1.144 1.00 1.00 H new ATOM 362 P DG C 2 6.324 7.051 -7.075 1.00 1.00 P ATOM 363 OP1 DG C 2 6.957 7.027 -8.416 1.00 1.00 O ATOM 364 OP2 DG C 2 6.862 7.959 -6.033 1.00 1.00 O ATOM 365 O5' DG C 2 4.774 7.362 -7.255 1.00 1.00 O ATOM 366 C5' DG C 2 3.998 6.639 -8.209 1.00 1.00 C ATOM 367 C4' DG C 2 2.533 6.984 -8.072 1.00 1.00 C ATOM 368 O4' DG C 2 2.003 6.383 -6.864 1.00 1.00 O ATOM 369 C3' DG C 2 2.229 8.481 -7.963 1.00 1.00 C ATOM 370 O3' DG C 2 1.124 8.811 -8.813 1.00 1.00 O ATOM 371 C2' DG C 2 1.854 8.661 -6.502 1.00 1.00 C ATOM 372 C1' DG C 2 1.180 7.336 -6.216 1.00 1.00 C ATOM 373 N9 DG C 2 1.062 6.973 -4.806 1.00 1.00 N ATOM 374 C8 DG C 2 1.986 7.166 -3.807 1.00 1.00 C ATOM 375 N7 DG C 2 1.589 6.731 -2.643 1.00 1.00 N ATOM 376 C5 DG C 2 0.322 6.219 -2.885 1.00 1.00 C ATOM 377 C6 DG C 2 -0.609 5.609 -2.001 1.00 1.00 C ATOM 378 O6 DG C 2 -0.476 5.373 -0.789 1.00 1.00 O ATOM 379 N1 DG C 2 -1.782 5.233 -2.652 1.00 1.00 N ATOM 380 C2 DG C 2 -2.016 5.426 -3.996 1.00 1.00 C ATOM 381 N2 DG C 2 -3.190 4.989 -4.471 1.00 1.00 N ATOM 382 N3 DG C 2 -1.157 5.991 -4.829 1.00 1.00 N ATOM 383 C4 DG C 2 -0.017 6.362 -4.212 1.00 1.00 C ATOM 0 H5' DG C 2 4.140 5.568 -8.065 1.00 1.00 H new ATOM 0 H5'' DG C 2 4.340 6.873 -9.217 1.00 1.00 H new ATOM 0 H4' DG C 2 2.077 6.607 -8.988 1.00 1.00 H new ATOM 0 H3' DG C 2 3.060 9.118 -8.264 1.00 1.00 H new ATOM 0 H2' DG C 2 2.726 8.826 -5.869 1.00 1.00 H new ATOM 0 H2'' DG C 2 1.184 9.507 -6.349 1.00 1.00 H new ATOM 0 H1' DG C 2 0.148 7.386 -6.564 1.00 1.00 H new ATOM 0 H8 DG C 2 2.947 7.632 -3.970 1.00 1.00 H new ATOM 0 H1 DG C 2 -2.514 4.787 -2.099 1.00 1.00 H new ATOM 0 H21 DG C 2 -3.416 5.106 -5.459 1.00 1.00 H new ATOM 0 H22 DG C 2 -3.858 4.539 -3.845 1.00 1.00 H new HETATM 395 P AZW C 3 0.790 10.337 -9.175 1.00 1.00 P HETATM 396 OP1 AZW C 3 0.342 10.387 -10.587 1.00 1.00 O HETATM 397 OP2 AZW C 3 1.938 11.174 -8.749 1.00 1.00 O HETATM 398 O5' AZW C 3 -0.450 10.688 -8.241 1.00 1.00 O HETATM 399 C5' AZW C 3 -1.778 10.355 -8.640 1.00 1.00 C HETATM 400 C1A AZW C 3 -2.611 10.004 -7.426 1.00 1.00 C HETATM 401 C2A AZW C 3 -3.663 9.085 -7.544 1.00 1.00 C HETATM 402 C6A AZW C 3 -2.340 10.600 -6.186 1.00 1.00 C HETATM 403 C3A AZW C 3 -4.441 8.763 -6.427 1.00 1.00 C HETATM 404 C5A AZW C 3 -3.122 10.278 -5.067 1.00 1.00 C HETATM 405 C4A AZW C 3 -4.173 9.359 -5.189 1.00 1.00 C HETATM 406 N5A AZW C 3 -4.978 9.041 -4.074 1.00 1.00 N HETATM 407 C1B AZW C 3 -7.317 6.988 -0.116 1.00 1.00 C HETATM 408 C2B AZW C 3 -7.866 7.088 -1.401 1.00 1.00 C HETATM 409 C6B AZW C 3 -5.943 7.202 0.075 1.00 1.00 C HETATM 410 C3B AZW C 3 -7.048 7.402 -2.490 1.00 1.00 C HETATM 411 C5B AZW C 3 -5.124 7.514 -1.018 1.00 1.00 C HETATM 412 C4B AZW C 3 -5.678 7.615 -2.302 1.00 1.00 C HETATM 413 N5B AZW C 3 -4.861 7.931 -3.407 1.00 1.00 N HETATM 414 C3' AZW C 3 -8.201 6.659 1.070 1.00 1.00 C HETATM 415 O3' AZW C 3 -9.506 7.211 0.903 1.00 1.00 O ATOM 428 P DG C 4 -10.767 6.243 0.674 1.00 1.00 P ATOM 429 OP1 DG C 4 -11.813 7.038 -0.010 1.00 1.00 O ATOM 430 OP2 DG C 4 -11.082 5.568 1.954 1.00 1.00 O ATOM 431 O5' DG C 4 -10.235 5.151 -0.354 1.00 1.00 O ATOM 432 C5' DG C 4 -10.972 3.957 -0.604 1.00 1.00 C ATOM 433 C4' DG C 4 -10.902 3.609 -2.073 1.00 1.00 C ATOM 434 O4' DG C 4 -9.672 4.139 -2.626 1.00 1.00 O ATOM 435 C3' DG C 4 -10.879 2.113 -2.389 1.00 1.00 C ATOM 436 O3' DG C 4 -11.487 1.863 -3.659 1.00 1.00 O ATOM 437 C2' DG C 4 -9.394 1.806 -2.437 1.00 1.00 C ATOM 438 C1' DG C 4 -8.834 3.075 -3.058 1.00 1.00 C ATOM 439 N9 DG C 4 -7.458 3.399 -2.692 1.00 1.00 N ATOM 440 C8 DG C 4 -6.457 3.778 -3.554 1.00 1.00 C ATOM 441 N7 DG C 4 -5.321 4.007 -2.959 1.00 1.00 N ATOM 442 C5 DG C 4 -5.582 3.765 -1.620 1.00 1.00 C ATOM 443 C6 DG C 4 -4.724 3.849 -0.498 1.00 1.00 C ATOM 444 O6 DG C 4 -3.528 4.169 -0.478 1.00 1.00 O ATOM 445 N1 DG C 4 -5.374 3.521 0.685 1.00 1.00 N ATOM 446 C2 DG C 4 -6.698 3.156 0.766 1.00 1.00 C ATOM 447 N2 DG C 4 -7.165 2.873 1.992 1.00 1.00 N ATOM 448 N3 DG C 4 -7.512 3.074 -0.274 1.00 1.00 N ATOM 449 C4 DG C 4 -6.895 3.389 -1.432 1.00 1.00 C ATOM 0 H5' DG C 4 -12.011 4.090 -0.302 1.00 1.00 H new ATOM 0 H5'' DG C 4 -10.569 3.139 -0.008 1.00 1.00 H new ATOM 0 H4' DG C 4 -11.811 4.034 -2.499 1.00 1.00 H new ATOM 0 H3' DG C 4 -11.424 1.505 -1.667 1.00 1.00 H new ATOM 0 H2' DG C 4 -8.983 1.620 -1.445 1.00 1.00 H new ATOM 0 H2'' DG C 4 -9.178 0.925 -3.042 1.00 1.00 H new ATOM 0 H1' DG C 4 -8.816 2.923 -4.137 1.00 1.00 H new ATOM 0 H8 DG C 4 -6.598 3.876 -4.620 1.00 1.00 H new ATOM 0 H1 DG C 4 -4.834 3.553 1.550 1.00 1.00 H new ATOM 0 H21 DG C 4 -8.139 2.596 2.115 1.00 1.00 H new ATOM 0 H22 DG C 4 -6.546 2.935 2.800 1.00 1.00 H new ATOM 461 P DG C 5 -11.746 0.357 -4.153 1.00 1.00 P ATOM 462 OP1 DG C 5 -12.896 0.379 -5.090 1.00 1.00 O ATOM 463 OP2 DG C 5 -11.803 -0.510 -2.952 1.00 1.00 O ATOM 464 O5' DG C 5 -10.430 -0.016 -4.969 1.00 1.00 O ATOM 465 C5' DG C 5 -10.039 0.732 -6.120 1.00 1.00 C ATOM 466 C4' DG C 5 -8.606 0.429 -6.492 1.00 1.00 C ATOM 467 O4' DG C 5 -7.701 1.045 -5.555 1.00 1.00 O ATOM 468 C3' DG C 5 -8.199 -1.041 -6.435 1.00 1.00 C ATOM 469 O3' DG C 5 -8.576 -1.730 -7.633 1.00 1.00 O ATOM 470 C2' DG C 5 -6.686 -0.962 -6.300 1.00 1.00 C ATOM 471 C1' DG C 5 -6.430 0.433 -5.724 1.00 1.00 C ATOM 472 N9 DG C 5 -5.742 0.428 -4.436 1.00 1.00 N ATOM 473 C8 DG C 5 -6.226 -0.050 -3.243 1.00 1.00 C ATOM 474 N7 DG C 5 -5.372 0.055 -2.258 1.00 1.00 N ATOM 475 C5 DG C 5 -4.254 0.639 -2.837 1.00 1.00 C ATOM 476 C6 DG C 5 -3.001 0.999 -2.264 1.00 1.00 C ATOM 477 O6 DG C 5 -2.621 0.860 -1.090 1.00 1.00 O ATOM 478 N1 DG C 5 -2.141 1.565 -3.200 1.00 1.00 N ATOM 479 C2 DG C 5 -2.458 1.757 -4.526 1.00 1.00 C ATOM 480 N2 DG C 5 -1.514 2.333 -5.288 1.00 1.00 N ATOM 481 N3 DG C 5 -3.617 1.426 -5.074 1.00 1.00 N ATOM 482 C4 DG C 5 -4.464 0.876 -4.180 1.00 1.00 C ATOM 0 H5' DG C 5 -10.151 1.798 -5.922 1.00 1.00 H new ATOM 0 H5'' DG C 5 -10.696 0.492 -6.956 1.00 1.00 H new ATOM 0 H4' DG C 5 -8.547 0.797 -7.516 1.00 1.00 H new ATOM 0 H3' DG C 5 -8.678 -1.592 -5.626 1.00 1.00 H new ATOM 0 H2' DG C 5 -6.304 -1.741 -5.640 1.00 1.00 H new ATOM 0 H2'' DG C 5 -6.193 -1.091 -7.264 1.00 1.00 H new ATOM 0 HO3' DG C 5 -8.302 -2.669 -7.570 1.00 1.00 H new ATOM 0 H1' DG C 5 -5.777 0.968 -6.414 1.00 1.00 H new ATOM 0 H8 DG C 5 -7.214 -0.471 -3.129 1.00 1.00 H new ATOM 0 H1 DG C 5 -1.216 1.856 -2.883 1.00 1.00 H new ATOM 0 H21 DG C 5 -1.691 2.501 -6.278 1.00 1.00 H new ATOM 0 H22 DG C 5 -0.620 2.602 -4.876 1.00 1.00 H new TER 495 DG C 5 ATOM 496 O5' DG D 1 -7.141 -5.179 3.620 1.00 1.00 O ATOM 497 C5' DG D 1 -7.749 -3.942 4.023 1.00 1.00 C ATOM 498 C4' DG D 1 -7.223 -3.481 5.362 1.00 1.00 C ATOM 499 O4' DG D 1 -5.839 -3.079 5.213 1.00 1.00 O ATOM 500 C3' DG D 1 -7.939 -2.273 5.970 1.00 1.00 C ATOM 501 O3' DG D 1 -7.978 -2.404 7.395 1.00 1.00 O ATOM 502 C2' DG D 1 -7.043 -1.116 5.565 1.00 1.00 C ATOM 503 C1' DG D 1 -5.681 -1.759 5.712 1.00 1.00 C ATOM 504 N9 DG D 1 -4.590 -1.108 4.992 1.00 1.00 N ATOM 505 C8 DG D 1 -3.389 -0.710 5.530 1.00 1.00 C ATOM 506 N7 DG D 1 -2.584 -0.172 4.656 1.00 1.00 N ATOM 507 C5 DG D 1 -3.294 -0.216 3.465 1.00 1.00 C ATOM 508 C6 DG D 1 -2.925 0.227 2.171 1.00 1.00 C ATOM 509 O6 DG D 1 -1.855 0.743 1.813 1.00 1.00 O ATOM 510 N1 DG D 1 -3.931 0.006 1.236 1.00 1.00 N ATOM 511 C2 DG D 1 -5.144 -0.579 1.526 1.00 1.00 C ATOM 512 N2 DG D 1 -5.997 -0.733 0.501 1.00 1.00 N ATOM 513 N3 DG D 1 -5.500 -0.998 2.732 1.00 1.00 N ATOM 514 C4 DG D 1 -4.534 -0.788 3.651 1.00 1.00 C ATOM 0 H5' DG D 1 -8.830 -4.067 4.079 1.00 1.00 H new ATOM 0 H5'' DG D 1 -7.555 -3.177 3.271 1.00 1.00 H new ATOM 0 H4' DG D 1 -7.379 -4.333 6.024 1.00 1.00 H new ATOM 0 H3' DG D 1 -8.970 -2.154 5.638 1.00 1.00 H new ATOM 0 H2' DG D 1 -7.235 -0.780 4.546 1.00 1.00 H new ATOM 0 H2'' DG D 1 -7.165 -0.250 6.215 1.00 1.00 H new ATOM 0 HO5' DG D 1 -7.259 -5.847 4.327 1.00 1.00 H new ATOM 0 H1' DG D 1 -5.387 -1.693 6.760 1.00 1.00 H new ATOM 0 H8 DG D 1 -3.137 -0.831 6.573 1.00 1.00 H new ATOM 0 H1 DG D 1 -3.759 0.296 0.273 1.00 1.00 H new ATOM 0 H21 DG D 1 -6.910 -1.160 0.657 1.00 1.00 H new ATOM 0 H22 DG D 1 -5.732 -0.423 -0.434 1.00 1.00 H new ATOM 527 P DG D 2 -8.793 -1.354 8.295 1.00 1.00 P ATOM 528 OP1 DG D 2 -9.163 -2.058 9.549 1.00 1.00 O ATOM 529 OP2 DG D 2 -9.851 -0.735 7.460 1.00 1.00 O ATOM 530 O5' DG D 2 -7.723 -0.230 8.650 1.00 1.00 O ATOM 531 C5' DG D 2 -6.599 -0.525 9.477 1.00 1.00 C ATOM 532 C4' DG D 2 -5.722 0.694 9.642 1.00 1.00 C ATOM 533 O4' DG D 2 -5.042 0.959 8.388 1.00 1.00 O ATOM 534 C3' DG D 2 -6.482 1.987 9.978 1.00 1.00 C ATOM 535 O3' DG D 2 -5.777 2.885 10.864 1.00 1.00 O ATOM 536 C2' DG D 2 -6.613 2.641 8.613 1.00 1.00 C ATOM 537 C1' DG D 2 -5.249 2.317 8.046 1.00 1.00 C ATOM 538 N9 DG D 2 -5.084 2.491 6.606 1.00 1.00 N ATOM 539 C8 DG D 2 -6.028 2.351 5.618 1.00 1.00 C ATOM 540 N7 DG D 2 -5.577 2.648 4.429 1.00 1.00 N ATOM 541 C5 DG D 2 -4.251 3.002 4.646 1.00 1.00 C ATOM 542 C6 DG D 2 -3.248 3.419 3.734 1.00 1.00 C ATOM 543 O6 DG D 2 -3.335 3.558 2.509 1.00 1.00 O ATOM 544 N1 DG D 2 -2.036 3.681 4.369 1.00 1.00 N ATOM 545 C2 DG D 2 -1.827 3.550 5.723 1.00 1.00 C ATOM 546 N2 DG D 2 -0.597 3.833 6.172 1.00 1.00 N ATOM 547 N3 DG D 2 -2.753 3.163 6.583 1.00 1.00 N ATOM 548 C4 DG D 2 -3.933 2.907 5.981 1.00 1.00 C ATOM 0 H5' DG D 2 -6.021 -1.338 9.037 1.00 1.00 H new ATOM 0 H5'' DG D 2 -6.940 -0.868 10.454 1.00 1.00 H new ATOM 0 H4' DG D 2 -5.056 0.456 10.471 1.00 1.00 H new ATOM 0 H3' DG D 2 -7.413 1.768 10.501 1.00 1.00 H new ATOM 0 H2' DG D 2 -7.424 2.216 8.021 1.00 1.00 H new ATOM 0 H2'' DG D 2 -6.795 3.714 8.679 1.00 1.00 H new ATOM 0 H1' DG D 2 -4.527 3.020 8.462 1.00 1.00 H new ATOM 0 H8 DG D 2 -7.041 2.028 5.806 1.00 1.00 H new ATOM 0 H1 DG D 2 -1.253 3.990 3.793 1.00 1.00 H new ATOM 0 H21 DG D 2 -0.386 3.753 7.167 1.00 1.00 H new ATOM 0 H22 DG D 2 0.129 4.129 5.519 1.00 1.00 H new HETATM 560 P AZW D 3 -4.343 2.583 11.539 1.00 1.00 P HETATM 561 OP1 AZW D 3 -3.351 2.356 10.464 1.00 1.00 O HETATM 562 OP2 AZW D 3 -4.522 1.553 12.588 1.00 1.00 O HETATM 563 O5' AZW D 3 -3.951 3.948 12.258 1.00 1.00 O HETATM 564 C5' AZW D 3 -4.362 5.217 11.747 1.00 1.00 C HETATM 565 C1A AZW D 3 -3.548 5.576 10.521 1.00 1.00 C HETATM 566 C2A AZW D 3 -2.173 5.827 10.635 1.00 1.00 C HETATM 567 C6A AZW D 3 -4.179 5.700 9.274 1.00 1.00 C HETATM 568 C3A AZW D 3 -1.432 6.209 9.506 1.00 1.00 C HETATM 569 C5A AZW D 3 -3.438 6.077 8.146 1.00 1.00 C HETATM 570 C4A AZW D 3 -2.065 6.335 8.261 1.00 1.00 C HETATM 571 N5A AZW D 3 -1.330 6.744 7.126 1.00 1.00 N HETATM 572 C1B AZW D 3 0.980 9.270 3.396 1.00 1.00 C HETATM 573 C2B AZW D 3 1.615 9.210 4.648 1.00 1.00 C HETATM 574 C6B AZW D 3 -0.369 8.901 3.282 1.00 1.00 C HETATM 575 C3B AZW D 3 0.901 8.780 5.778 1.00 1.00 C HETATM 576 C5B AZW D 3 -1.079 8.474 4.411 1.00 1.00 C HETATM 577 C4B AZW D 3 -0.446 8.414 5.659 1.00 1.00 C HETATM 578 N5B AZW D 3 -1.173 7.993 6.796 1.00 1.00 N HETATM 579 C3' AZW D 3 1.742 9.714 2.163 1.00 1.00 C HETATM 580 O3' AZW D 3 2.489 10.901 2.413 1.00 1.00 O ATOM 593 P DG D 4 4.081 10.895 2.198 1.00 1.00 P ATOM 594 OP1 DG D 4 4.603 12.225 2.604 1.00 1.00 O ATOM 595 OP2 DG D 4 4.347 10.402 0.824 1.00 1.00 O ATOM 596 O5' DG D 4 4.599 9.808 3.235 1.00 1.00 O ATOM 597 C5' DG D 4 5.856 9.153 3.073 1.00 1.00 C ATOM 598 C4' DG D 4 6.199 8.399 4.337 1.00 1.00 C ATOM 599 O4' DG D 4 4.977 7.866 4.901 1.00 1.00 O ATOM 600 C3' DG D 4 7.121 7.192 4.157 1.00 1.00 C ATOM 601 O3' DG D 4 7.870 6.973 5.362 1.00 1.00 O ATOM 602 C2' DG D 4 6.129 6.069 3.916 1.00 1.00 C ATOM 603 C1' DG D 4 5.017 6.446 4.879 1.00 1.00 C ATOM 604 N9 DG D 4 3.685 5.951 4.539 1.00 1.00 N ATOM 605 C8 DG D 4 2.803 5.352 5.405 1.00 1.00 C ATOM 606 N7 DG D 4 1.680 5.002 4.842 1.00 1.00 N ATOM 607 C5 DG D 4 1.826 5.395 3.520 1.00 1.00 C ATOM 608 C6 DG D 4 0.928 5.274 2.431 1.00 1.00 C ATOM 609 O6 DG D 4 -0.206 4.773 2.428 1.00 1.00 O ATOM 610 N1 DG D 4 1.457 5.798 1.254 1.00 1.00 N ATOM 611 C2 DG D 4 2.705 6.367 1.153 1.00 1.00 C ATOM 612 N2 DG D 4 3.060 6.828 -0.055 1.00 1.00 N ATOM 613 N3 DG D 4 3.552 6.486 2.162 1.00 1.00 N ATOM 614 C4 DG D 4 3.055 5.984 3.312 1.00 1.00 C ATOM 0 H5' DG D 4 6.633 9.884 2.851 1.00 1.00 H new ATOM 0 H5'' DG D 4 5.814 8.466 2.228 1.00 1.00 H new ATOM 0 H4' DG D 4 6.717 9.127 4.961 1.00 1.00 H new ATOM 0 H3' DG D 4 7.856 7.295 3.359 1.00 1.00 H new ATOM 0 H2' DG D 4 5.785 6.038 2.882 1.00 1.00 H new ATOM 0 H2'' DG D 4 6.553 5.090 4.140 1.00 1.00 H new ATOM 0 H1' DG D 4 5.251 5.982 5.837 1.00 1.00 H new ATOM 0 H8 DG D 4 3.019 5.187 6.450 1.00 1.00 H new ATOM 0 H1 DG D 4 0.882 5.757 0.413 1.00 1.00 H new ATOM 0 H21 DG D 4 3.975 7.260 -0.188 1.00 1.00 H new ATOM 0 H22 DG D 4 2.415 6.747 -0.841 1.00 1.00 H new ATOM 626 P DG D 5 8.925 5.767 5.471 1.00 1.00 P ATOM 627 OP1 DG D 5 9.877 6.105 6.557 1.00 1.00 O ATOM 628 OP2 DG D 5 9.453 5.465 4.118 1.00 1.00 O ATOM 629 O5' DG D 5 8.054 4.528 5.962 1.00 1.00 O ATOM 630 C5' DG D 5 7.392 4.553 7.227 1.00 1.00 C ATOM 631 C4' DG D 5 6.539 3.318 7.413 1.00 1.00 C ATOM 632 O4' DG D 5 5.299 3.461 6.689 1.00 1.00 O ATOM 633 C3' DG D 5 7.121 2.018 6.863 1.00 1.00 C ATOM 634 O3' DG D 5 8.010 1.410 7.808 1.00 1.00 O ATOM 635 C2' DG D 5 5.886 1.161 6.642 1.00 1.00 C ATOM 636 C1' DG D 5 4.744 2.166 6.505 1.00 1.00 C ATOM 637 N9 DG D 5 4.082 2.128 5.204 1.00 1.00 N ATOM 638 C8 DG D 5 4.609 2.495 3.991 1.00 1.00 C ATOM 639 N7 DG D 5 3.768 2.360 3.001 1.00 1.00 N ATOM 640 C5 DG D 5 2.614 1.870 3.597 1.00 1.00 C ATOM 641 C6 DG D 5 1.358 1.525 3.029 1.00 1.00 C ATOM 642 O6 DG D 5 1.007 1.587 1.839 1.00 1.00 O ATOM 643 N1 DG D 5 0.460 1.065 3.989 1.00 1.00 N ATOM 644 C2 DG D 5 0.749 0.953 5.330 1.00 1.00 C ATOM 645 N2 DG D 5 -0.228 0.471 6.111 1.00 1.00 N ATOM 646 N3 DG D 5 1.912 1.271 5.871 1.00 1.00 N ATOM 647 C4 DG D 5 2.793 1.719 4.955 1.00 1.00 C ATOM 0 H5' DG D 5 6.769 5.445 7.299 1.00 1.00 H new ATOM 0 H5'' DG D 5 8.130 4.615 8.027 1.00 1.00 H new ATOM 0 H4' DG D 5 6.445 3.247 8.497 1.00 1.00 H new ATOM 0 H3' DG D 5 7.714 2.160 5.959 1.00 1.00 H new ATOM 0 H2' DG D 5 5.984 0.547 5.747 1.00 1.00 H new ATOM 0 H2'' DG D 5 5.719 0.482 7.478 1.00 1.00 H new ATOM 0 HO3' DG D 5 8.368 0.579 7.432 1.00 1.00 H new ATOM 0 H1' DG D 5 3.987 1.915 7.248 1.00 1.00 H new ATOM 0 H8 DG D 5 5.618 2.859 3.868 1.00 1.00 H new ATOM 0 H1 DG D 5 -0.473 0.793 3.678 1.00 1.00 H new ATOM 0 H21 DG D 5 -0.074 0.365 7.114 1.00 1.00 H new ATOM 0 H22 DG D 5 -1.126 0.211 5.703 1.00 1.00 H new TER 660 DG D 5 HETATM 661 K K A 101 1.362 -4.090 -0.582 1.00 1.00 K HETATM 662 K K A 102 -0.109 -0.475 0.109 1.00 1.00 K HETATM 663 K K C 101 -1.400 3.216 0.683 1.00 1.00 K