USER MOD reduce.3.24.130724 H: found=0, std=0, add=249, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 274 hydrogens (25 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 4 DT C7 :methyl -30:sc= 0 (180deg=-0.0027) USER MOD Single : A 4 DT O5' : rot -82:sc= 1.19 USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 14 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 19 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 23 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 25 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 4 6.246 -9.312 -11.863 1.00 0.97 O ATOM 2 C5' DT A 4 6.661 -10.249 -10.866 1.00 0.59 C ATOM 3 C4' DT A 4 8.162 -10.251 -10.695 1.00 0.47 C ATOM 4 O4' DT A 4 8.492 -10.857 -9.419 1.00 0.38 O ATOM 5 C3' DT A 4 8.930 -11.049 -11.752 1.00 0.47 C ATOM 6 O3' DT A 4 10.156 -10.387 -12.083 1.00 0.51 O ATOM 7 C2' DT A 4 9.206 -12.374 -11.066 1.00 0.47 C ATOM 8 C1' DT A 4 9.357 -11.965 -9.612 1.00 0.38 C ATOM 9 N1 DT A 4 8.981 -13.011 -8.640 1.00 0.46 N ATOM 10 C2 DT A 4 7.662 -13.404 -8.580 1.00 0.73 C ATOM 11 O2 DT A 4 6.791 -12.929 -9.291 1.00 0.88 O ATOM 12 N3 DT A 4 7.396 -14.377 -7.651 1.00 0.88 N ATOM 13 C4 DT A 4 8.296 -14.982 -6.797 1.00 0.76 C ATOM 14 O4 DT A 4 7.909 -15.845 -6.013 1.00 0.95 O ATOM 15 C5 DT A 4 9.662 -14.523 -6.913 1.00 0.52 C ATOM 16 C7 DT A 4 10.705 -15.125 -6.024 1.00 0.57 C ATOM 17 C6 DT A 4 9.938 -13.572 -7.817 1.00 0.44 C ATOM 0 H5' DT A 4 6.324 -11.248 -11.142 1.00 0.59 H new ATOM 0 H5'' DT A 4 6.186 -10.004 -9.916 1.00 0.59 H new ATOM 0 H4' DT A 4 8.457 -9.205 -10.780 1.00 0.47 H new ATOM 0 H3' DT A 4 8.380 -11.162 -12.686 1.00 0.47 H new ATOM 0 H2' DT A 4 8.389 -13.082 -11.206 1.00 0.47 H new ATOM 0 H2'' DT A 4 10.109 -12.850 -11.450 1.00 0.47 H new ATOM 0 HO5' DT A 4 6.206 -8.414 -11.472 1.00 0.97 H new ATOM 0 H1' DT A 4 10.410 -11.750 -9.433 1.00 0.38 H new ATOM 0 H3 DT A 4 6.427 -14.688 -7.584 1.00 0.88 H new ATOM 0 H71 DT A 4 10.249 -15.429 -5.082 1.00 0.57 H new ATOM 0 H72 DT A 4 11.142 -15.995 -6.513 1.00 0.57 H new ATOM 0 H73 DT A 4 11.485 -14.389 -5.828 1.00 0.57 H new ATOM 0 H6 DT A 4 10.958 -13.228 -7.906 1.00 0.44 H new ATOM 31 P DG A 5 10.276 -9.571 -13.462 1.00 0.97 P ATOM 32 OP1 DG A 5 8.998 -8.840 -13.660 1.00 1.67 O ATOM 33 OP2 DG A 5 10.759 -10.502 -14.514 1.00 1.75 O ATOM 34 O5' DG A 5 11.422 -8.500 -13.178 1.00 0.57 O ATOM 35 C5' DG A 5 11.164 -7.100 -13.285 1.00 0.53 C ATOM 36 C4' DG A 5 12.451 -6.320 -13.149 1.00 0.41 C ATOM 37 O4' DG A 5 13.113 -6.708 -11.918 1.00 0.47 O ATOM 38 C3' DG A 5 13.470 -6.562 -14.265 1.00 0.47 C ATOM 39 O3' DG A 5 14.193 -5.359 -14.551 1.00 0.58 O ATOM 40 C2' DG A 5 14.393 -7.611 -13.673 1.00 0.59 C ATOM 41 C1' DG A 5 14.395 -7.249 -12.199 1.00 0.59 C ATOM 42 N9 DG A 5 14.615 -8.380 -11.300 1.00 0.68 N ATOM 43 C8 DG A 5 13.663 -9.218 -10.773 1.00 0.47 C ATOM 44 N7 DG A 5 14.160 -10.143 -9.999 1.00 0.63 N ATOM 45 C5 DG A 5 15.527 -9.902 -10.014 1.00 1.09 C ATOM 46 C6 DG A 5 16.587 -10.582 -9.359 1.00 1.58 C ATOM 47 O6 DG A 5 16.522 -11.564 -8.611 1.00 1.59 O ATOM 48 N1 DG A 5 17.826 -10.011 -9.644 1.00 2.11 N ATOM 49 C2 DG A 5 18.009 -8.920 -10.461 1.00 2.16 C ATOM 50 N2 DG A 5 19.276 -8.509 -10.620 1.00 2.73 N ATOM 51 N3 DG A 5 17.030 -8.278 -11.078 1.00 1.70 N ATOM 52 C4 DG A 5 15.825 -8.818 -10.812 1.00 1.18 C ATOM 0 H5' DG A 5 10.460 -6.792 -12.511 1.00 0.53 H new ATOM 0 H5'' DG A 5 10.697 -6.881 -14.245 1.00 0.53 H new ATOM 0 H4' DG A 5 12.150 -5.273 -13.182 1.00 0.41 H new ATOM 0 H3' DG A 5 13.013 -6.875 -15.204 1.00 0.47 H new ATOM 0 H2' DG A 5 14.021 -8.621 -13.843 1.00 0.59 H new ATOM 0 H2'' DG A 5 15.393 -7.563 -14.105 1.00 0.59 H new ATOM 0 H1' DG A 5 15.220 -6.558 -12.026 1.00 0.59 H new ATOM 0 H8 DG A 5 12.607 -9.121 -10.979 1.00 0.47 H new ATOM 0 H1 DG A 5 18.652 -10.430 -9.218 1.00 2.11 H new ATOM 0 H21 DG A 5 19.481 -7.705 -11.213 1.00 2.73 H new ATOM 0 H22 DG A 5 20.035 -9.000 -10.147 1.00 2.73 H new ATOM 64 P DA A 6 13.764 -4.444 -15.802 1.00 0.60 P ATOM 65 OP1 DA A 6 13.550 -5.347 -16.961 1.00 0.71 O ATOM 66 OP2 DA A 6 14.734 -3.325 -15.914 1.00 0.78 O ATOM 67 O5' DA A 6 12.351 -3.843 -15.375 1.00 0.49 O ATOM 68 C5' DA A 6 12.265 -2.730 -14.484 1.00 0.35 C ATOM 69 C4' DA A 6 10.818 -2.392 -14.211 1.00 0.32 C ATOM 70 O4' DA A 6 10.132 -3.571 -13.755 1.00 0.31 O ATOM 71 C3' DA A 6 10.595 -1.365 -13.109 1.00 0.39 C ATOM 72 O3' DA A 6 10.577 -0.043 -13.661 1.00 0.60 O ATOM 73 C2' DA A 6 9.225 -1.731 -12.550 1.00 0.37 C ATOM 74 C1' DA A 6 9.022 -3.193 -12.955 1.00 0.36 C ATOM 75 N9 DA A 6 8.947 -4.125 -11.828 1.00 0.41 N ATOM 76 C8 DA A 6 9.903 -4.368 -10.872 1.00 0.47 C ATOM 77 N7 DA A 6 9.547 -5.266 -9.985 1.00 0.55 N ATOM 78 C5 DA A 6 8.271 -5.640 -10.383 1.00 0.56 C ATOM 79 C6 DA A 6 7.347 -6.559 -9.855 1.00 0.68 C ATOM 80 N6 DA A 6 7.577 -7.299 -8.768 1.00 0.77 N ATOM 81 N1 DA A 6 6.163 -6.694 -10.491 1.00 0.74 N ATOM 82 C2 DA A 6 5.932 -5.952 -11.581 1.00 0.69 C ATOM 83 N3 DA A 6 6.719 -5.056 -12.172 1.00 0.56 N ATOM 84 C4 DA A 6 7.888 -4.946 -11.516 1.00 0.49 C ATOM 0 H5' DA A 6 12.772 -1.868 -14.917 1.00 0.35 H new ATOM 0 H5'' DA A 6 12.774 -2.963 -13.549 1.00 0.35 H new ATOM 0 H4' DA A 6 10.451 -1.987 -15.154 1.00 0.32 H new ATOM 0 H3' DA A 6 11.377 -1.373 -12.350 1.00 0.39 H new ATOM 0 H2' DA A 6 9.194 -1.611 -11.467 1.00 0.37 H new ATOM 0 H2'' DA A 6 8.444 -1.093 -12.964 1.00 0.37 H new ATOM 0 H1' DA A 6 8.066 -3.251 -13.476 1.00 0.36 H new ATOM 0 H8 DA A 6 10.859 -3.866 -10.853 1.00 0.47 H new ATOM 0 H61 DA A 6 6.866 -7.949 -8.434 1.00 0.77 H new ATOM 0 H62 DA A 6 8.464 -7.214 -8.272 1.00 0.77 H new ATOM 0 H2 DA A 6 4.970 -6.102 -12.047 1.00 0.69 H new ATOM 96 P DG A 7 11.008 1.211 -12.753 1.00 0.66 P ATOM 97 OP1 DG A 7 10.793 2.438 -13.562 1.00 1.45 O ATOM 98 OP2 DG A 7 12.352 0.936 -12.184 1.00 1.30 O ATOM 99 O5' DG A 7 9.949 1.207 -11.561 1.00 0.59 O ATOM 100 C5' DG A 7 9.134 2.349 -11.291 1.00 0.36 C ATOM 101 C4' DG A 7 7.742 2.138 -11.842 1.00 0.39 C ATOM 102 O4' DG A 7 7.357 0.757 -11.646 1.00 0.41 O ATOM 103 C3' DG A 7 6.651 2.961 -11.165 1.00 0.51 C ATOM 104 O3' DG A 7 5.579 3.221 -12.080 1.00 0.72 O ATOM 105 C2' DG A 7 6.189 2.053 -10.042 1.00 0.50 C ATOM 106 C1' DG A 7 6.356 0.662 -10.638 1.00 0.39 C ATOM 107 N9 DG A 7 6.783 -0.353 -9.679 1.00 0.28 N ATOM 108 C8 DG A 7 8.047 -0.534 -9.173 1.00 0.27 C ATOM 109 N7 DG A 7 8.127 -1.523 -8.326 1.00 0.30 N ATOM 110 C5 DG A 7 6.835 -2.027 -8.268 1.00 0.27 C ATOM 111 C6 DG A 7 6.305 -3.107 -7.517 1.00 0.34 C ATOM 112 O6 DG A 7 6.896 -3.852 -6.728 1.00 0.47 O ATOM 113 N1 DG A 7 4.943 -3.286 -7.752 1.00 0.31 N ATOM 114 C2 DG A 7 4.194 -2.511 -8.608 1.00 0.29 C ATOM 115 N2 DG A 7 2.894 -2.828 -8.710 1.00 0.35 N ATOM 116 N3 DG A 7 4.677 -1.502 -9.314 1.00 0.30 N ATOM 117 C4 DG A 7 5.994 -1.318 -9.097 1.00 0.25 C ATOM 0 H5' DG A 7 9.580 3.237 -11.739 1.00 0.36 H new ATOM 0 H5'' DG A 7 9.085 2.524 -10.216 1.00 0.36 H new ATOM 0 H4' DG A 7 7.809 2.443 -12.886 1.00 0.39 H new ATOM 0 H3' DG A 7 6.994 3.935 -10.817 1.00 0.51 H new ATOM 0 H2' DG A 7 6.793 2.183 -9.144 1.00 0.50 H new ATOM 0 H2'' DG A 7 5.154 2.251 -9.762 1.00 0.50 H new ATOM 0 H1' DG A 7 5.382 0.348 -11.012 1.00 0.39 H new ATOM 0 H8 DG A 7 8.891 0.081 -9.449 1.00 0.27 H new ATOM 0 H1 DG A 7 4.470 -4.042 -7.257 1.00 0.31 H new ATOM 0 H21 DG A 7 2.285 -2.291 -9.328 1.00 0.35 H new ATOM 0 H22 DG A 7 2.515 -3.605 -8.170 1.00 0.35 H new ATOM 129 P DG A 8 4.493 4.358 -11.743 1.00 0.97 P ATOM 130 OP1 DG A 8 3.815 4.715 -13.016 1.00 1.47 O ATOM 131 OP2 DG A 8 5.157 5.419 -10.944 1.00 1.38 O ATOM 132 O5' DG A 8 3.434 3.617 -10.810 1.00 0.70 O ATOM 133 C5' DG A 8 2.405 4.349 -10.142 1.00 0.62 C ATOM 134 C4' DG A 8 1.359 3.404 -9.597 1.00 0.51 C ATOM 135 O4' DG A 8 2.008 2.186 -9.147 1.00 0.46 O ATOM 136 C3' DG A 8 0.573 3.939 -8.392 1.00 0.41 C ATOM 137 O3' DG A 8 -0.821 3.644 -8.540 1.00 0.43 O ATOM 138 C2' DG A 8 1.158 3.182 -7.211 1.00 0.38 C ATOM 139 C1' DG A 8 1.570 1.866 -7.839 1.00 0.38 C ATOM 140 N9 DG A 8 2.661 1.181 -7.148 1.00 0.37 N ATOM 141 C8 DG A 8 4.001 1.470 -7.223 1.00 0.42 C ATOM 142 N7 DG A 8 4.740 0.686 -6.488 1.00 0.43 N ATOM 143 C5 DG A 8 3.832 -0.176 -5.889 1.00 0.37 C ATOM 144 C6 DG A 8 4.047 -1.244 -4.983 1.00 0.37 C ATOM 145 O6 DG A 8 5.118 -1.647 -4.515 1.00 0.41 O ATOM 146 N1 DG A 8 2.853 -1.865 -4.619 1.00 0.34 N ATOM 147 C2 DG A 8 1.611 -1.491 -5.078 1.00 0.34 C ATOM 148 N2 DG A 8 0.571 -2.204 -4.618 1.00 0.39 N ATOM 149 N3 DG A 8 1.399 -0.495 -5.924 1.00 0.34 N ATOM 150 C4 DG A 8 2.545 0.115 -6.285 1.00 0.34 C ATOM 0 H5' DG A 8 1.943 5.054 -10.833 1.00 0.62 H new ATOM 0 H5'' DG A 8 2.835 4.935 -9.329 1.00 0.62 H new ATOM 0 H4' DG A 8 0.658 3.253 -10.418 1.00 0.51 H new ATOM 0 H3' DG A 8 0.651 5.020 -8.278 1.00 0.41 H new ATOM 0 H2' DG A 8 2.007 3.706 -6.773 1.00 0.38 H new ATOM 0 H2'' DG A 8 0.426 3.041 -6.416 1.00 0.38 H new ATOM 0 H1' DG A 8 0.719 1.186 -7.799 1.00 0.38 H new ATOM 0 H8 DG A 8 4.403 2.267 -7.830 1.00 0.42 H new ATOM 0 H1 DG A 8 2.904 -2.649 -3.969 1.00 0.34 H new ATOM 0 H21 DG A 8 -0.376 -1.977 -4.920 1.00 0.39 H new ATOM 0 H22 DG A 8 0.728 -2.973 -3.966 1.00 0.39 H new ATOM 162 P DG A 9 -1.890 4.295 -7.530 1.00 0.47 P ATOM 163 OP1 DG A 9 -3.174 4.424 -8.265 1.00 0.66 O ATOM 164 OP2 DG A 9 -1.277 5.497 -6.909 1.00 0.53 O ATOM 165 O5' DG A 9 -2.076 3.188 -6.399 1.00 0.61 O ATOM 166 C5' DG A 9 -2.581 1.891 -6.717 1.00 0.40 C ATOM 167 C4' DG A 9 -3.074 1.198 -5.467 1.00 0.27 C ATOM 168 O4' DG A 9 -1.964 0.505 -4.841 1.00 0.43 O ATOM 169 C3' DG A 9 -3.651 2.132 -4.396 1.00 0.33 C ATOM 170 O3' DG A 9 -4.823 1.552 -3.811 1.00 0.39 O ATOM 171 C2' DG A 9 -2.537 2.233 -3.368 1.00 0.38 C ATOM 172 C1' DG A 9 -1.874 0.874 -3.476 1.00 0.32 C ATOM 173 N9 DG A 9 -0.463 0.853 -3.092 1.00 0.31 N ATOM 174 C8 DG A 9 0.538 1.668 -3.564 1.00 0.36 C ATOM 175 N7 DG A 9 1.703 1.414 -3.034 1.00 0.41 N ATOM 176 C5 DG A 9 1.457 0.366 -2.157 1.00 0.35 C ATOM 177 C6 DG A 9 2.340 -0.335 -1.297 1.00 0.37 C ATOM 178 O6 DG A 9 3.553 -0.160 -1.139 1.00 0.45 O ATOM 179 N1 DG A 9 1.684 -1.330 -0.575 1.00 0.36 N ATOM 180 C2 DG A 9 0.339 -1.605 -0.677 1.00 0.37 C ATOM 181 N2 DG A 9 -0.123 -2.600 0.097 1.00 0.45 N ATOM 182 N3 DG A 9 -0.495 -0.957 -1.475 1.00 0.34 N ATOM 183 C4 DG A 9 0.127 0.008 -2.180 1.00 0.31 C ATOM 0 H5' DG A 9 -1.799 1.294 -7.187 1.00 0.40 H new ATOM 0 H5'' DG A 9 -3.394 1.977 -7.438 1.00 0.40 H new ATOM 0 H4' DG A 9 -3.873 0.539 -5.806 1.00 0.27 H new ATOM 0 H3' DG A 9 -3.950 3.103 -4.792 1.00 0.33 H new ATOM 0 H2' DG A 9 -1.844 3.043 -3.597 1.00 0.38 H new ATOM 0 H2'' DG A 9 -2.924 2.418 -2.366 1.00 0.38 H new ATOM 0 H1' DG A 9 -2.380 0.196 -2.789 1.00 0.32 H new ATOM 0 H8 DG A 9 0.376 2.442 -4.300 1.00 0.36 H new ATOM 0 H1 DG A 9 2.237 -1.892 0.072 1.00 0.36 H new ATOM 0 H21 DG A 9 -1.111 -2.852 0.067 1.00 0.45 H new ATOM 0 H22 DG A 9 0.514 -3.103 0.715 1.00 0.45 H new ATOM 195 P DT A 10 -6.262 2.229 -4.054 1.00 0.39 P ATOM 196 OP1 DT A 10 -6.188 2.994 -5.326 1.00 0.59 O ATOM 197 OP2 DT A 10 -6.668 2.921 -2.805 1.00 0.78 O ATOM 198 O5' DT A 10 -7.237 0.989 -4.279 1.00 0.72 O ATOM 199 C5' DT A 10 -7.088 0.131 -5.411 1.00 0.57 C ATOM 200 C4' DT A 10 -6.317 -1.111 -5.026 1.00 0.66 C ATOM 201 O4' DT A 10 -7.119 -1.904 -4.116 1.00 0.75 O ATOM 202 C3' DT A 10 -5.974 -2.040 -6.189 1.00 0.66 C ATOM 203 O3' DT A 10 -4.736 -2.718 -5.938 1.00 0.69 O ATOM 204 C2' DT A 10 -7.130 -3.021 -6.197 1.00 0.74 C ATOM 205 C1' DT A 10 -7.479 -3.139 -4.721 1.00 0.78 C ATOM 206 N1 DT A 10 -8.911 -3.377 -4.453 1.00 0.79 N ATOM 207 C2 DT A 10 -9.387 -4.666 -4.556 1.00 0.93 C ATOM 208 O2 DT A 10 -8.682 -5.614 -4.859 1.00 1.05 O ATOM 209 N3 DT A 10 -10.725 -4.804 -4.292 1.00 0.97 N ATOM 210 C4 DT A 10 -11.614 -3.807 -3.943 1.00 0.90 C ATOM 211 O4 DT A 10 -12.792 -4.085 -3.736 1.00 0.96 O ATOM 212 C5 DT A 10 -11.048 -2.480 -3.853 1.00 0.79 C ATOM 213 C7 DT A 10 -11.940 -1.336 -3.482 1.00 0.82 C ATOM 214 C6 DT A 10 -9.740 -2.328 -4.109 1.00 0.75 C ATOM 0 H5' DT A 10 -6.567 0.658 -6.210 1.00 0.57 H new ATOM 0 H5'' DT A 10 -8.069 -0.146 -5.798 1.00 0.57 H new ATOM 0 H4' DT A 10 -5.387 -0.741 -4.596 1.00 0.66 H new ATOM 0 H3' DT A 10 -5.848 -1.519 -7.138 1.00 0.66 H new ATOM 0 H2' DT A 10 -7.971 -2.651 -6.784 1.00 0.74 H new ATOM 0 H2'' DT A 10 -6.842 -3.982 -6.623 1.00 0.74 H new ATOM 0 H1' DT A 10 -6.944 -4.001 -4.322 1.00 0.78 H new ATOM 0 H3 DT A 10 -11.106 -5.748 -4.361 1.00 0.97 H new ATOM 0 H71 DT A 10 -11.360 -0.579 -2.954 1.00 0.82 H new ATOM 0 H72 DT A 10 -12.368 -0.901 -4.385 1.00 0.82 H new ATOM 0 H73 DT A 10 -12.742 -1.694 -2.837 1.00 0.82 H new ATOM 0 H6 DT A 10 -9.315 -1.337 -4.043 1.00 0.75 H new ATOM 227 P DG A 11 -3.429 -2.350 -6.801 1.00 0.68 P ATOM 228 OP1 DG A 11 -2.356 -1.972 -5.846 1.00 0.73 O ATOM 229 OP2 DG A 11 -3.823 -1.401 -7.874 1.00 0.70 O ATOM 230 O5' DG A 11 -3.015 -3.730 -7.483 1.00 0.69 O ATOM 231 C5' DG A 11 -3.981 -4.544 -8.149 1.00 0.58 C ATOM 232 C4' DG A 11 -3.900 -5.967 -7.646 1.00 0.52 C ATOM 233 O4' DG A 11 -2.561 -6.475 -7.876 1.00 0.46 O ATOM 234 C3' DG A 11 -4.154 -6.135 -6.148 1.00 0.53 C ATOM 235 O3' DG A 11 -4.780 -7.397 -5.889 1.00 0.54 O ATOM 236 C2' DG A 11 -2.758 -6.097 -5.556 1.00 0.49 C ATOM 237 C1' DG A 11 -1.922 -6.760 -6.639 1.00 0.42 C ATOM 238 N9 DG A 11 -0.547 -6.274 -6.721 1.00 0.41 N ATOM 239 C8 DG A 11 -0.081 -5.232 -7.483 1.00 0.46 C ATOM 240 N7 DG A 11 1.200 -5.027 -7.350 1.00 0.48 N ATOM 241 C5 DG A 11 1.607 -5.995 -6.441 1.00 0.43 C ATOM 242 C6 DG A 11 2.892 -6.266 -5.908 1.00 0.44 C ATOM 243 O6 DG A 11 3.956 -5.683 -6.141 1.00 0.51 O ATOM 244 N1 DG A 11 2.870 -7.337 -5.015 1.00 0.39 N ATOM 245 C2 DG A 11 1.739 -8.050 -4.686 1.00 0.34 C ATOM 246 N2 DG A 11 1.906 -9.049 -3.806 1.00 0.33 N ATOM 247 N3 DG A 11 0.535 -7.806 -5.178 1.00 0.36 N ATOM 248 C4 DG A 11 0.543 -6.772 -6.043 1.00 0.38 C ATOM 0 H5' DG A 11 -3.808 -4.520 -9.225 1.00 0.58 H new ATOM 0 H5'' DG A 11 -4.982 -4.147 -7.979 1.00 0.58 H new ATOM 0 H4' DG A 11 -4.680 -6.501 -8.188 1.00 0.52 H new ATOM 0 H3' DG A 11 -4.815 -5.375 -5.732 1.00 0.53 H new ATOM 0 H2' DG A 11 -2.429 -5.077 -5.357 1.00 0.49 H new ATOM 0 H2'' DG A 11 -2.703 -6.639 -4.612 1.00 0.49 H new ATOM 0 H1' DG A 11 -1.858 -7.823 -6.404 1.00 0.42 H new ATOM 0 H8 DG A 11 -0.713 -4.640 -8.129 1.00 0.46 H new ATOM 0 H1 DG A 11 3.750 -7.610 -4.577 1.00 0.39 H new ATOM 0 H21 DG A 11 1.108 -9.616 -3.520 1.00 0.33 H new ATOM 0 H22 DG A 11 2.831 -9.242 -3.423 1.00 0.33 H new ATOM 260 P DG A 12 -5.554 -7.637 -4.499 1.00 0.52 P ATOM 261 OP1 DG A 12 -6.383 -8.859 -4.659 1.00 0.61 O ATOM 262 OP2 DG A 12 -6.199 -6.362 -4.095 1.00 0.52 O ATOM 263 O5' DG A 12 -4.390 -7.962 -3.461 1.00 0.59 O ATOM 264 C5' DG A 12 -4.326 -7.302 -2.196 1.00 0.58 C ATOM 265 C4' DG A 12 -3.324 -7.991 -1.301 1.00 0.51 C ATOM 266 O4' DG A 12 -1.991 -7.762 -1.823 1.00 0.48 O ATOM 267 C3' DG A 12 -3.308 -7.494 0.149 1.00 0.51 C ATOM 268 O3' DG A 12 -3.201 -8.600 1.052 1.00 0.56 O ATOM 269 C2' DG A 12 -2.068 -6.620 0.226 1.00 0.44 C ATOM 270 C1' DG A 12 -1.150 -7.251 -0.804 1.00 0.38 C ATOM 271 N9 DG A 12 -0.207 -6.322 -1.423 1.00 0.33 N ATOM 272 C8 DG A 12 -0.483 -5.376 -2.380 1.00 0.39 C ATOM 273 N7 DG A 12 0.565 -4.689 -2.743 1.00 0.38 N ATOM 274 C5 DG A 12 1.598 -5.214 -1.979 1.00 0.32 C ATOM 275 C6 DG A 12 2.973 -4.870 -1.937 1.00 0.35 C ATOM 276 O6 DG A 12 3.565 -4.004 -2.589 1.00 0.41 O ATOM 277 N1 DG A 12 3.678 -5.651 -1.022 1.00 0.34 N ATOM 278 C2 DG A 12 3.114 -6.640 -0.248 1.00 0.28 C ATOM 279 N2 DG A 12 3.947 -7.292 0.578 1.00 0.32 N ATOM 280 N3 DG A 12 1.833 -6.969 -0.279 1.00 0.24 N ATOM 281 C4 DG A 12 1.139 -6.222 -1.160 1.00 0.27 C ATOM 0 H5' DG A 12 -5.309 -7.306 -1.725 1.00 0.58 H new ATOM 0 H5'' DG A 12 -4.044 -6.259 -2.335 1.00 0.58 H new ATOM 0 H4' DG A 12 -3.622 -9.040 -1.293 1.00 0.51 H new ATOM 0 H3' DG A 12 -4.216 -6.956 0.422 1.00 0.51 H new ATOM 0 H2' DG A 12 -2.290 -5.580 -0.013 1.00 0.44 H new ATOM 0 H2'' DG A 12 -1.626 -6.631 1.222 1.00 0.44 H new ATOM 0 H1' DG A 12 -0.546 -8.004 -0.298 1.00 0.38 H new ATOM 0 H8 DG A 12 -1.469 -5.217 -2.791 1.00 0.39 H new ATOM 0 H1 DG A 12 4.678 -5.478 -0.919 1.00 0.34 H new ATOM 0 H21 DG A 12 3.591 -8.036 1.178 1.00 0.32 H new ATOM 0 H22 DG A 12 4.936 -7.043 0.605 1.00 0.32 H new ATOM 293 P DG A 13 -3.547 -8.402 2.610 1.00 0.64 P ATOM 294 OP1 DG A 13 -4.395 -9.547 3.027 1.00 0.92 O ATOM 295 OP2 DG A 13 -4.039 -7.014 2.809 1.00 0.96 O ATOM 296 O5' DG A 13 -2.136 -8.541 3.338 1.00 0.64 O ATOM 297 C5' DG A 13 -1.976 -8.171 4.707 1.00 0.65 C ATOM 298 C4' DG A 13 -0.560 -8.443 5.158 1.00 0.51 C ATOM 299 O4' DG A 13 0.361 -7.947 4.152 1.00 0.42 O ATOM 300 C3' DG A 13 -0.160 -7.761 6.471 1.00 0.46 C ATOM 301 O3' DG A 13 0.658 -8.636 7.256 1.00 0.50 O ATOM 302 C2' DG A 13 0.633 -6.549 6.016 1.00 0.55 C ATOM 303 C1' DG A 13 1.284 -7.045 4.739 1.00 0.44 C ATOM 304 N9 DG A 13 1.578 -5.997 3.763 1.00 0.38 N ATOM 305 C8 DG A 13 0.691 -5.388 2.909 1.00 0.39 C ATOM 306 N7 DG A 13 1.245 -4.481 2.151 1.00 0.38 N ATOM 307 C5 DG A 13 2.581 -4.492 2.528 1.00 0.36 C ATOM 308 C6 DG A 13 3.672 -3.721 2.054 1.00 0.39 C ATOM 309 O6 DG A 13 3.668 -2.847 1.180 1.00 0.41 O ATOM 310 N1 DG A 13 4.861 -4.046 2.705 1.00 0.47 N ATOM 311 C2 DG A 13 4.971 -4.999 3.692 1.00 0.52 C ATOM 312 N2 DG A 13 6.198 -5.179 4.207 1.00 0.65 N ATOM 313 N3 DG A 13 3.960 -5.724 4.142 1.00 0.47 N ATOM 314 C4 DG A 13 2.803 -5.421 3.521 1.00 0.38 C ATOM 0 H5' DG A 13 -2.677 -8.730 5.327 1.00 0.65 H new ATOM 0 H5'' DG A 13 -2.210 -7.114 4.836 1.00 0.65 H new ATOM 0 H4' DG A 13 -0.513 -9.522 5.309 1.00 0.51 H new ATOM 0 H3' DG A 13 -1.014 -7.497 7.095 1.00 0.46 H new ATOM 0 H2' DG A 13 -0.010 -5.687 5.836 1.00 0.55 H new ATOM 0 H2'' DG A 13 1.372 -6.246 6.757 1.00 0.55 H new ATOM 0 H1' DG A 13 2.244 -7.490 5.001 1.00 0.44 H new ATOM 0 H8 DG A 13 -0.360 -5.635 2.869 1.00 0.39 H new ATOM 0 H1 DG A 13 5.706 -3.544 2.432 1.00 0.47 H new ATOM 0 H21 DG A 13 6.346 -5.871 4.942 1.00 0.65 H new ATOM 0 H22 DG A 13 6.982 -4.624 3.863 1.00 0.65 H new ATOM 326 P DT A 14 0.915 -8.314 8.811 1.00 0.64 P ATOM 327 OP1 DT A 14 -0.284 -7.603 9.324 1.00 0.62 O ATOM 328 OP2 DT A 14 2.253 -7.683 8.942 1.00 1.34 O ATOM 329 O5' DT A 14 0.969 -9.750 9.498 1.00 1.12 O ATOM 330 C5' DT A 14 1.955 -10.711 9.118 1.00 0.90 C ATOM 331 C4' DT A 14 1.709 -12.022 9.829 1.00 1.01 C ATOM 332 O4' DT A 14 1.823 -11.820 11.257 1.00 1.43 O ATOM 333 C3' DT A 14 0.320 -12.615 9.621 1.00 1.10 C ATOM 334 O3' DT A 14 0.310 -13.471 8.473 1.00 0.93 O ATOM 335 C2' DT A 14 0.106 -13.416 10.891 1.00 1.43 C ATOM 336 C1' DT A 14 0.844 -12.595 11.942 1.00 1.62 C ATOM 337 N1 DT A 14 -0.018 -11.671 12.706 1.00 2.04 N ATOM 338 C2 DT A 14 -0.894 -12.208 13.623 1.00 2.36 C ATOM 339 O2 DT A 14 -0.990 -13.406 13.831 1.00 2.42 O ATOM 340 N3 DT A 14 -1.658 -11.286 14.292 1.00 2.74 N ATOM 341 C4 DT A 14 -1.634 -9.915 14.138 1.00 2.86 C ATOM 342 O4 DT A 14 -2.383 -9.212 14.812 1.00 3.25 O ATOM 343 C5 DT A 14 -0.692 -9.419 13.160 1.00 2.64 C ATOM 344 C7 DT A 14 -0.597 -7.943 12.928 1.00 2.98 C ATOM 345 C6 DT A 14 0.063 -10.308 12.498 1.00 2.25 C ATOM 0 H5' DT A 14 2.950 -10.338 9.362 1.00 0.90 H new ATOM 0 H5'' DT A 14 1.928 -10.864 8.039 1.00 0.90 H new ATOM 0 H4' DT A 14 2.448 -12.704 9.409 1.00 1.01 H new ATOM 0 H3' DT A 14 -0.454 -11.868 9.446 1.00 1.10 H new ATOM 0 H2' DT A 14 -0.953 -13.519 11.130 1.00 1.43 H new ATOM 0 H2'' DT A 14 0.513 -14.423 10.806 1.00 1.43 H new ATOM 0 H1' DT A 14 1.265 -13.294 12.665 1.00 1.62 H new ATOM 0 H3 DT A 14 -2.316 -11.654 14.979 1.00 2.74 H new ATOM 0 H71 DT A 14 0.418 -7.687 12.624 1.00 2.98 H new ATOM 0 H72 DT A 14 -1.295 -7.652 12.143 1.00 2.98 H new ATOM 0 H73 DT A 14 -0.845 -7.413 13.848 1.00 2.98 H new ATOM 0 H6 DT A 14 0.768 -9.940 11.767 1.00 2.25 H new ATOM 358 P DA A 15 -1.065 -13.731 7.682 1.00 1.08 P ATOM 359 OP1 DA A 15 -1.582 -12.411 7.241 1.00 1.43 O ATOM 360 OP2 DA A 15 -1.922 -14.614 8.514 1.00 1.22 O ATOM 361 O5' DA A 15 -0.616 -14.545 6.388 1.00 1.07 O ATOM 362 C5' DA A 15 -1.555 -14.878 5.366 1.00 1.53 C ATOM 363 C4' DA A 15 -0.829 -15.267 4.099 1.00 1.29 C ATOM 364 O4' DA A 15 -1.794 -15.746 3.128 1.00 1.20 O ATOM 365 C3' DA A 15 -0.074 -14.123 3.414 1.00 1.12 C ATOM 366 O3' DA A 15 1.153 -14.602 2.853 1.00 1.03 O ATOM 367 C2' DA A 15 -1.025 -13.678 2.319 1.00 0.93 C ATOM 368 C1' DA A 15 -1.717 -14.975 1.940 1.00 0.82 C ATOM 369 N9 DA A 15 -3.076 -14.806 1.421 1.00 0.76 N ATOM 370 C8 DA A 15 -4.240 -14.678 2.138 1.00 1.09 C ATOM 371 N7 DA A 15 -5.309 -14.540 1.391 1.00 1.04 N ATOM 372 C5 DA A 15 -4.816 -14.579 0.094 1.00 0.67 C ATOM 373 C6 DA A 15 -5.444 -14.485 -1.160 1.00 0.69 C ATOM 374 N6 DA A 15 -6.760 -14.326 -1.320 1.00 0.95 N ATOM 375 N1 DA A 15 -4.664 -14.561 -2.261 1.00 0.70 N ATOM 376 C2 DA A 15 -3.344 -14.721 -2.101 1.00 0.59 C ATOM 377 N3 DA A 15 -2.638 -14.822 -0.977 1.00 0.35 N ATOM 378 C4 DA A 15 -3.442 -14.742 0.097 1.00 0.46 C ATOM 0 H5' DA A 15 -2.210 -14.028 5.173 1.00 1.53 H new ATOM 0 H5'' DA A 15 -2.189 -15.700 5.698 1.00 1.53 H new ATOM 0 H4' DA A 15 -0.102 -16.017 4.409 1.00 1.29 H new ATOM 0 H3' DA A 15 0.195 -13.317 4.096 1.00 1.12 H new ATOM 0 H2' DA A 15 -1.733 -12.929 2.675 1.00 0.93 H new ATOM 0 H2'' DA A 15 -0.495 -13.239 1.474 1.00 0.93 H new ATOM 0 H1' DA A 15 -1.142 -15.440 1.140 1.00 0.82 H new ATOM 0 H8 DA A 15 -4.272 -14.690 3.217 1.00 1.09 H new ATOM 0 H61 DA A 15 -7.156 -14.264 -2.258 1.00 0.95 H new ATOM 0 H62 DA A 15 -7.369 -14.266 -0.504 1.00 0.95 H new ATOM 0 H2 DA A 15 -2.770 -14.776 -3.014 1.00 0.59 H new ATOM 390 P DG A 16 2.495 -14.591 3.739 1.00 1.12 P ATOM 391 OP1 DG A 16 2.426 -15.752 4.663 1.00 1.36 O ATOM 392 OP2 DG A 16 2.679 -13.225 4.292 1.00 1.26 O ATOM 393 O5' DG A 16 3.657 -14.866 2.684 1.00 0.96 O ATOM 394 C5' DG A 16 3.855 -14.003 1.564 1.00 0.62 C ATOM 395 C4' DG A 16 5.280 -13.500 1.539 1.00 0.45 C ATOM 396 O4' DG A 16 5.551 -12.910 0.242 1.00 0.47 O ATOM 397 C3' DG A 16 5.598 -12.413 2.576 1.00 0.43 C ATOM 398 O3' DG A 16 6.870 -12.667 3.185 1.00 0.54 O ATOM 399 C2' DG A 16 5.644 -11.135 1.757 1.00 0.44 C ATOM 400 C1' DG A 16 6.136 -11.632 0.414 1.00 0.38 C ATOM 401 N9 DG A 16 5.754 -10.796 -0.722 1.00 0.34 N ATOM 402 C8 DG A 16 4.543 -10.776 -1.370 1.00 0.34 C ATOM 403 N7 DG A 16 4.498 -9.920 -2.354 1.00 0.36 N ATOM 404 C5 DG A 16 5.758 -9.338 -2.357 1.00 0.33 C ATOM 405 C6 DG A 16 6.303 -8.337 -3.200 1.00 0.36 C ATOM 406 O6 DG A 16 5.756 -7.746 -4.138 1.00 0.40 O ATOM 407 N1 DG A 16 7.620 -8.032 -2.862 1.00 0.37 N ATOM 408 C2 DG A 16 8.316 -8.626 -1.835 1.00 0.38 C ATOM 409 N2 DG A 16 9.576 -8.203 -1.648 1.00 0.45 N ATOM 410 N3 DG A 16 7.818 -9.561 -1.042 1.00 0.38 N ATOM 411 C4 DG A 16 6.544 -9.866 -1.357 1.00 0.34 C ATOM 0 H5' DG A 16 3.165 -13.161 1.618 1.00 0.62 H new ATOM 0 H5'' DG A 16 3.634 -14.537 0.640 1.00 0.62 H new ATOM 0 H4' DG A 16 5.893 -14.373 1.765 1.00 0.45 H new ATOM 0 H3' DG A 16 4.869 -12.368 3.385 1.00 0.43 H new ATOM 0 H2' DG A 16 4.664 -10.664 1.682 1.00 0.44 H new ATOM 0 H2'' DG A 16 6.320 -10.398 2.191 1.00 0.44 H new ATOM 0 H1' DG A 16 7.226 -11.630 0.427 1.00 0.38 H new ATOM 0 H8 DG A 16 3.711 -11.406 -1.093 1.00 0.34 H new ATOM 0 H1 DG A 16 8.100 -7.321 -3.413 1.00 0.37 H new ATOM 0 H21 DG A 16 10.144 -8.605 -0.902 1.00 0.45 H new ATOM 0 H22 DG A 16 9.966 -7.479 -2.252 1.00 0.45 H new ATOM 423 P DG A 17 7.339 -11.798 4.455 1.00 0.65 P ATOM 424 OP1 DG A 17 8.023 -12.721 5.396 1.00 0.92 O ATOM 425 OP2 DG A 17 6.183 -10.994 4.927 1.00 0.90 O ATOM 426 O5' DG A 17 8.431 -10.801 3.858 1.00 0.64 O ATOM 427 C5' DG A 17 9.668 -11.290 3.339 1.00 0.56 C ATOM 428 C4' DG A 17 10.675 -10.167 3.242 1.00 0.40 C ATOM 429 O4' DG A 17 10.323 -9.309 2.126 1.00 0.39 O ATOM 430 C3' DG A 17 10.742 -9.253 4.470 1.00 0.40 C ATOM 431 O3' DG A 17 12.095 -8.854 4.720 1.00 0.43 O ATOM 432 C2' DG A 17 9.897 -8.059 4.066 1.00 0.33 C ATOM 433 C1' DG A 17 10.152 -7.974 2.573 1.00 0.27 C ATOM 434 N9 DG A 17 9.063 -7.375 1.805 1.00 0.26 N ATOM 435 C8 DG A 17 7.751 -7.781 1.770 1.00 0.33 C ATOM 436 N7 DG A 17 7.005 -7.050 0.989 1.00 0.37 N ATOM 437 C5 DG A 17 7.878 -6.100 0.475 1.00 0.31 C ATOM 438 C6 DG A 17 7.643 -5.035 -0.431 1.00 0.35 C ATOM 439 O6 DG A 17 6.581 -4.714 -0.975 1.00 0.42 O ATOM 440 N1 DG A 17 8.803 -4.308 -0.691 1.00 0.35 N ATOM 441 C2 DG A 17 10.034 -4.583 -0.138 1.00 0.33 C ATOM 442 N2 DG A 17 11.041 -3.775 -0.502 1.00 0.43 N ATOM 443 N3 DG A 17 10.264 -5.574 0.708 1.00 0.29 N ATOM 444 C4 DG A 17 9.150 -6.286 0.968 1.00 0.25 C ATOM 0 H5' DG A 17 9.509 -11.731 2.355 1.00 0.56 H new ATOM 0 H5'' DG A 17 10.054 -12.080 3.984 1.00 0.56 H new ATOM 0 H4' DG A 17 11.640 -10.663 3.134 1.00 0.40 H new ATOM 0 H3' DG A 17 10.390 -9.733 5.383 1.00 0.40 H new ATOM 0 H2' DG A 17 8.842 -8.213 4.290 1.00 0.33 H new ATOM 0 H2'' DG A 17 10.203 -7.150 4.583 1.00 0.33 H new ATOM 0 H1' DG A 17 11.019 -7.332 2.416 1.00 0.27 H new ATOM 0 H8 DG A 17 7.375 -8.622 2.333 1.00 0.33 H new ATOM 0 H1 DG A 17 8.736 -3.519 -1.334 1.00 0.35 H new ATOM 0 H21 DG A 17 11.977 -3.926 -0.127 1.00 0.43 H new ATOM 0 H22 DG A 17 10.870 -3.009 -1.154 1.00 0.43 H new ATOM 456 P DG A 18 12.463 -8.068 6.074 1.00 0.46 P ATOM 457 OP1 DG A 18 13.692 -8.690 6.628 1.00 0.61 O ATOM 458 OP2 DG A 18 11.241 -7.984 6.914 1.00 0.65 O ATOM 459 O5' DG A 18 12.831 -6.599 5.579 1.00 0.39 O ATOM 460 C5' DG A 18 13.968 -6.367 4.747 1.00 0.51 C ATOM 461 C4' DG A 18 14.178 -4.884 4.548 1.00 0.38 C ATOM 462 O4' DG A 18 13.160 -4.378 3.646 1.00 0.46 O ATOM 463 C3' DG A 18 14.070 -4.041 5.826 1.00 0.46 C ATOM 464 O3' DG A 18 15.076 -3.021 5.836 1.00 0.62 O ATOM 465 C2' DG A 18 12.687 -3.423 5.732 1.00 0.56 C ATOM 466 C1' DG A 18 12.503 -3.269 4.234 1.00 0.45 C ATOM 467 N9 DG A 18 11.111 -3.278 3.787 1.00 0.43 N ATOM 468 C8 DG A 18 10.105 -4.107 4.221 1.00 0.43 C ATOM 469 N7 DG A 18 8.960 -3.878 3.639 1.00 0.47 N ATOM 470 C5 DG A 18 9.226 -2.833 2.764 1.00 0.50 C ATOM 471 C6 DG A 18 8.369 -2.154 1.862 1.00 0.61 C ATOM 472 O6 DG A 18 7.167 -2.352 1.654 1.00 0.70 O ATOM 473 N1 DG A 18 9.039 -1.154 1.160 1.00 0.67 N ATOM 474 C2 DG A 18 10.372 -0.854 1.318 1.00 0.65 C ATOM 475 N2 DG A 18 10.850 0.142 0.555 1.00 0.77 N ATOM 476 N3 DG A 18 11.182 -1.480 2.157 1.00 0.56 N ATOM 477 C4 DG A 18 10.547 -2.451 2.843 1.00 0.48 C ATOM 0 H5' DG A 18 13.827 -6.854 3.782 1.00 0.51 H new ATOM 0 H5'' DG A 18 14.855 -6.809 5.200 1.00 0.51 H new ATOM 0 H4' DG A 18 15.194 -4.791 4.165 1.00 0.38 H new ATOM 0 H3' DG A 18 14.212 -4.625 6.735 1.00 0.46 H new ATOM 0 H2' DG A 18 11.924 -4.065 6.172 1.00 0.56 H new ATOM 0 H2'' DG A 18 12.634 -2.465 6.249 1.00 0.56 H new ATOM 0 H1' DG A 18 12.903 -2.298 3.943 1.00 0.45 H new ATOM 0 H8 DG A 18 10.248 -4.872 4.970 1.00 0.43 H new ATOM 0 H1 DG A 18 8.505 -0.608 0.484 1.00 0.67 H new ATOM 0 H21 DG A 18 11.831 0.413 0.625 1.00 0.77 H new ATOM 0 H22 DG A 18 10.232 0.628 -0.095 1.00 0.77 H new ATOM 489 P DT A 19 16.546 -3.345 6.405 1.00 0.60 P ATOM 490 OP1 DT A 19 16.450 -4.589 7.211 1.00 0.75 O ATOM 491 OP2 DT A 19 17.087 -2.110 7.025 1.00 0.88 O ATOM 492 O5' DT A 19 17.402 -3.666 5.100 1.00 0.53 O ATOM 493 C5' DT A 19 18.827 -3.725 5.152 1.00 0.49 C ATOM 494 C4' DT A 19 19.386 -4.034 3.783 1.00 0.44 C ATOM 495 O4' DT A 19 20.834 -4.093 3.865 1.00 0.48 O ATOM 496 C3' DT A 19 18.940 -5.378 3.194 1.00 0.42 C ATOM 497 O3' DT A 19 18.679 -5.243 1.793 1.00 0.54 O ATOM 498 C2' DT A 19 20.132 -6.287 3.431 1.00 0.47 C ATOM 499 C1' DT A 19 21.299 -5.323 3.335 1.00 0.43 C ATOM 500 N1 DT A 19 22.494 -5.731 4.101 1.00 0.42 N ATOM 501 C2 DT A 19 23.393 -6.582 3.496 1.00 0.34 C ATOM 502 O2 DT A 19 23.247 -7.012 2.363 1.00 0.36 O ATOM 503 N3 DT A 19 24.475 -6.915 4.270 1.00 0.40 N ATOM 504 C4 DT A 19 24.742 -6.492 5.556 1.00 0.55 C ATOM 505 O4 DT A 19 25.759 -6.876 6.128 1.00 0.62 O ATOM 506 C5 DT A 19 23.758 -5.600 6.130 1.00 0.66 C ATOM 507 C7 DT A 19 23.965 -5.091 7.522 1.00 0.89 C ATOM 508 C6 DT A 19 22.694 -5.266 5.385 1.00 0.60 C ATOM 0 H5' DT A 19 19.141 -4.490 5.862 1.00 0.49 H new ATOM 0 H5'' DT A 19 19.225 -2.775 5.510 1.00 0.49 H new ATOM 0 H4' DT A 19 19.011 -3.240 3.138 1.00 0.44 H new ATOM 0 H3' DT A 19 18.023 -5.759 3.644 1.00 0.42 H new ATOM 0 H2' DT A 19 20.085 -6.773 4.406 1.00 0.47 H new ATOM 0 H2'' DT A 19 20.195 -7.078 2.683 1.00 0.47 H new ATOM 0 H1' DT A 19 21.613 -5.275 2.292 1.00 0.43 H new ATOM 0 H3 DT A 19 25.158 -7.545 3.849 1.00 0.40 H new ATOM 0 H71 DT A 19 23.513 -4.104 7.620 1.00 0.89 H new ATOM 0 H72 DT A 19 23.500 -5.775 8.232 1.00 0.89 H new ATOM 0 H73 DT A 19 25.033 -5.023 7.729 1.00 0.89 H new ATOM 0 H6 DT A 19 21.958 -4.601 5.811 1.00 0.60 H new ATOM 521 P DG A 20 17.518 -6.120 1.108 1.00 0.55 P ATOM 522 OP1 DG A 20 16.266 -5.873 1.869 1.00 0.81 O ATOM 523 OP2 DG A 20 18.016 -7.509 0.947 1.00 0.69 O ATOM 524 O5' DG A 20 17.352 -5.476 -0.340 1.00 0.73 O ATOM 525 C5' DG A 20 16.275 -5.859 -1.194 1.00 0.71 C ATOM 526 C4' DG A 20 16.330 -5.077 -2.486 1.00 0.59 C ATOM 527 O4' DG A 20 15.280 -5.548 -3.368 1.00 0.49 O ATOM 528 C3' DG A 20 16.109 -3.570 -2.335 1.00 0.54 C ATOM 529 O3' DG A 20 16.925 -2.850 -3.267 1.00 0.62 O ATOM 530 C2' DG A 20 14.639 -3.395 -2.666 1.00 0.43 C ATOM 531 C1' DG A 20 14.400 -4.483 -3.696 1.00 0.39 C ATOM 532 N9 DG A 20 13.037 -5.012 -3.709 1.00 0.34 N ATOM 533 C8 DG A 20 12.558 -6.087 -3.002 1.00 0.39 C ATOM 534 N7 DG A 20 11.295 -6.329 -3.223 1.00 0.40 N ATOM 535 C5 DG A 20 10.915 -5.352 -4.133 1.00 0.34 C ATOM 536 C6 DG A 20 9.659 -5.108 -4.743 1.00 0.38 C ATOM 537 O6 DG A 20 8.602 -5.729 -4.592 1.00 0.47 O ATOM 538 N1 DG A 20 9.704 -4.015 -5.607 1.00 0.37 N ATOM 539 C2 DG A 20 10.828 -3.258 -5.845 1.00 0.33 C ATOM 540 N2 DG A 20 10.682 -2.236 -6.702 1.00 0.38 N ATOM 541 N3 DG A 20 12.005 -3.476 -5.281 1.00 0.30 N ATOM 542 C4 DG A 20 11.977 -4.531 -4.443 1.00 0.30 C ATOM 0 H5' DG A 20 15.323 -5.681 -0.693 1.00 0.71 H new ATOM 0 H5'' DG A 20 16.330 -6.927 -1.404 1.00 0.71 H new ATOM 0 H4' DG A 20 17.338 -5.235 -2.870 1.00 0.59 H new ATOM 0 H3' DG A 20 16.370 -3.195 -1.345 1.00 0.54 H new ATOM 0 H2' DG A 20 14.007 -3.523 -1.787 1.00 0.43 H new ATOM 0 H2'' DG A 20 14.429 -2.404 -3.067 1.00 0.43 H new ATOM 0 H1' DG A 20 14.570 -4.051 -4.682 1.00 0.39 H new ATOM 0 H8 DG A 20 13.166 -6.674 -2.330 1.00 0.39 H new ATOM 0 H1 DG A 20 8.846 -3.759 -6.096 1.00 0.37 H new ATOM 0 H21 DG A 20 11.478 -1.636 -6.921 1.00 0.38 H new ATOM 0 H22 DG A 20 9.775 -2.059 -7.134 1.00 0.38 H new ATOM 554 P DG A 21 17.230 -1.289 -3.026 1.00 0.72 P ATOM 555 OP1 DG A 21 18.455 -0.952 -3.796 1.00 0.87 O ATOM 556 OP2 DG A 21 17.189 -1.023 -1.565 1.00 0.80 O ATOM 557 O5' DG A 21 15.995 -0.542 -3.704 1.00 0.71 O ATOM 558 C5' DG A 21 15.951 -0.325 -5.115 1.00 0.60 C ATOM 559 C4' DG A 21 14.960 0.767 -5.447 1.00 0.57 C ATOM 560 O4' DG A 21 13.616 0.221 -5.390 1.00 0.64 O ATOM 561 C3' DG A 21 14.971 1.965 -4.489 1.00 0.58 C ATOM 562 O3' DG A 21 14.805 3.185 -5.220 1.00 0.76 O ATOM 563 C2' DG A 21 13.774 1.712 -3.591 1.00 0.47 C ATOM 564 C1' DG A 21 12.812 1.012 -4.531 1.00 0.51 C ATOM 565 N9 DG A 21 11.848 0.131 -3.874 1.00 0.41 N ATOM 566 C8 DG A 21 12.085 -0.725 -2.827 1.00 0.38 C ATOM 567 N7 DG A 21 11.027 -1.390 -2.454 1.00 0.37 N ATOM 568 C5 DG A 21 10.027 -0.945 -3.308 1.00 0.36 C ATOM 569 C6 DG A 21 8.659 -1.308 -3.383 1.00 0.38 C ATOM 570 O6 DG A 21 8.045 -2.125 -2.687 1.00 0.45 O ATOM 571 N1 DG A 21 7.992 -0.617 -4.394 1.00 0.39 N ATOM 572 C2 DG A 21 8.584 0.308 -5.223 1.00 0.40 C ATOM 573 N2 DG A 21 7.787 0.880 -6.138 1.00 0.47 N ATOM 574 N3 DG A 21 9.860 0.653 -5.162 1.00 0.42 N ATOM 575 C4 DG A 21 10.516 -0.007 -4.189 1.00 0.38 C ATOM 0 H5' DG A 21 15.670 -1.247 -5.623 1.00 0.60 H new ATOM 0 H5'' DG A 21 16.941 -0.050 -5.479 1.00 0.60 H new ATOM 0 H4' DG A 21 15.254 1.122 -6.435 1.00 0.57 H new ATOM 0 H3' DG A 21 15.904 2.063 -3.933 1.00 0.58 H new ATOM 0 H2' DG A 21 14.032 1.089 -2.734 1.00 0.47 H new ATOM 0 H2'' DG A 21 13.357 2.639 -3.197 1.00 0.47 H new ATOM 0 H1' DG A 21 12.220 1.775 -5.037 1.00 0.51 H new ATOM 0 H8 DG A 21 13.052 -0.837 -2.359 1.00 0.38 H new ATOM 0 H1 DG A 21 6.999 -0.810 -4.528 1.00 0.39 H new ATOM 0 H21 DG A 21 8.166 1.574 -6.782 1.00 0.47 H new ATOM 0 H22 DG A 21 6.802 0.621 -6.189 1.00 0.47 H new ATOM 587 P DG A 22 15.055 4.599 -4.494 1.00 0.72 P ATOM 588 OP1 DG A 22 16.148 5.287 -5.229 1.00 1.17 O ATOM 589 OP2 DG A 22 15.191 4.360 -3.034 1.00 1.05 O ATOM 590 O5' DG A 22 13.704 5.406 -4.749 1.00 0.86 O ATOM 591 C5' DG A 22 12.799 5.689 -3.681 1.00 0.57 C ATOM 592 C4' DG A 22 11.388 5.800 -4.211 1.00 0.39 C ATOM 593 O4' DG A 22 10.840 4.477 -4.389 1.00 0.42 O ATOM 594 C3' DG A 22 10.407 6.510 -3.288 1.00 0.40 C ATOM 595 O3' DG A 22 10.410 7.918 -3.549 1.00 0.47 O ATOM 596 C2' DG A 22 9.070 5.896 -3.669 1.00 0.49 C ATOM 597 C1' DG A 22 9.438 4.492 -4.146 1.00 0.36 C ATOM 598 N9 DG A 22 9.138 3.430 -3.186 1.00 0.45 N ATOM 599 C8 DG A 22 10.026 2.783 -2.360 1.00 0.60 C ATOM 600 N7 DG A 22 9.466 1.873 -1.613 1.00 0.73 N ATOM 601 C5 DG A 22 8.125 1.919 -1.966 1.00 0.63 C ATOM 602 C6 DG A 22 7.026 1.161 -1.490 1.00 0.72 C ATOM 603 O6 DG A 22 7.027 0.269 -0.634 1.00 0.88 O ATOM 604 N1 DG A 22 5.833 1.523 -2.112 1.00 0.61 N ATOM 605 C2 DG A 22 5.725 2.500 -3.075 1.00 0.51 C ATOM 606 N2 DG A 22 4.493 2.714 -3.566 1.00 0.55 N ATOM 607 N3 DG A 22 6.743 3.215 -3.528 1.00 0.45 N ATOM 608 C4 DG A 22 7.904 2.874 -2.934 1.00 0.47 C ATOM 0 H5' DG A 22 13.085 6.618 -3.189 1.00 0.57 H new ATOM 0 H5'' DG A 22 12.853 4.901 -2.930 1.00 0.57 H new ATOM 0 H4' DG A 22 11.488 6.378 -5.130 1.00 0.39 H new ATOM 0 H3' DG A 22 10.644 6.395 -2.230 1.00 0.40 H new ATOM 0 H2' DG A 22 8.388 5.864 -2.820 1.00 0.49 H new ATOM 0 H2'' DG A 22 8.576 6.469 -4.454 1.00 0.49 H new ATOM 0 H1' DG A 22 8.838 4.289 -5.033 1.00 0.36 H new ATOM 0 H8 DG A 22 11.082 3.006 -2.333 1.00 0.60 H new ATOM 0 H1 DG A 22 4.983 1.031 -1.835 1.00 0.61 H new ATOM 0 H21 DG A 22 4.346 3.425 -4.283 1.00 0.55 H new ATOM 0 H22 DG A 22 3.705 2.166 -3.222 1.00 0.55 H new ATOM 620 P DT A 23 9.816 8.938 -2.456 1.00 0.48 P ATOM 621 OP1 DT A 23 10.091 10.315 -2.939 1.00 0.82 O ATOM 622 OP2 DT A 23 10.299 8.521 -1.115 1.00 0.65 O ATOM 623 O5' DT A 23 8.242 8.696 -2.519 1.00 0.63 O ATOM 624 C5' DT A 23 7.340 9.546 -1.810 1.00 0.74 C ATOM 625 C4' DT A 23 5.918 9.265 -2.238 1.00 0.71 C ATOM 626 O4' DT A 23 5.656 7.844 -2.108 1.00 0.72 O ATOM 627 C3' DT A 23 4.844 9.969 -1.402 1.00 0.73 C ATOM 628 O3' DT A 23 3.754 10.377 -2.237 1.00 0.74 O ATOM 629 C2' DT A 23 4.401 8.894 -0.427 1.00 0.73 C ATOM 630 C1' DT A 23 4.542 7.631 -1.255 1.00 0.70 C ATOM 631 N1 DT A 23 4.793 6.408 -0.467 1.00 0.71 N ATOM 632 C2 DT A 23 3.739 5.548 -0.246 1.00 0.70 C ATOM 633 O2 DT A 23 2.613 5.748 -0.673 1.00 0.69 O ATOM 634 N3 DT A 23 4.052 4.439 0.496 1.00 0.76 N ATOM 635 C4 DT A 23 5.283 4.111 1.026 1.00 0.81 C ATOM 636 O4 DT A 23 5.409 3.076 1.673 1.00 0.87 O ATOM 637 C5 DT A 23 6.343 5.056 0.757 1.00 0.82 C ATOM 638 C7 DT A 23 7.713 4.781 1.296 1.00 0.92 C ATOM 639 C6 DT A 23 6.053 6.146 0.032 1.00 0.77 C ATOM 0 H5' DT A 23 7.586 10.591 -2.001 1.00 0.74 H new ATOM 0 H5'' DT A 23 7.444 9.385 -0.737 1.00 0.74 H new ATOM 0 H4' DT A 23 5.852 9.637 -3.260 1.00 0.71 H new ATOM 0 H3' DT A 23 5.203 10.871 -0.906 1.00 0.73 H new ATOM 0 H2' DT A 23 5.029 8.869 0.464 1.00 0.73 H new ATOM 0 H2'' DT A 23 3.376 9.047 -0.090 1.00 0.73 H new ATOM 0 H1' DT A 23 3.600 7.462 -1.778 1.00 0.70 H new ATOM 0 H3 DT A 23 3.291 3.784 0.676 1.00 0.76 H new ATOM 0 H71 DT A 23 8.460 5.214 0.631 1.00 0.92 H new ATOM 0 H72 DT A 23 7.810 5.224 2.287 1.00 0.92 H new ATOM 0 H73 DT A 23 7.868 3.704 1.363 1.00 0.92 H new ATOM 0 H6 DT A 23 6.844 6.853 -0.171 1.00 0.77 H new ATOM 652 P DA A 24 2.504 11.166 -1.601 1.00 0.74 P ATOM 653 OP1 DA A 24 2.149 12.262 -2.538 1.00 0.81 O ATOM 654 OP2 DA A 24 2.823 11.487 -0.186 1.00 0.76 O ATOM 655 O5' DA A 24 1.323 10.095 -1.623 1.00 0.75 O ATOM 656 C5' DA A 24 0.593 9.769 -0.438 1.00 0.71 C ATOM 657 C4' DA A 24 0.580 8.271 -0.231 1.00 0.72 C ATOM 658 O4' DA A 24 1.672 7.905 0.652 1.00 0.69 O ATOM 659 C3' DA A 24 -0.688 7.720 0.425 1.00 0.76 C ATOM 660 O3' DA A 24 -1.002 6.428 -0.109 1.00 0.87 O ATOM 661 C2' DA A 24 -0.304 7.614 1.889 1.00 0.72 C ATOM 662 C1' DA A 24 1.168 7.256 1.810 1.00 0.69 C ATOM 663 N9 DA A 24 1.962 7.696 2.959 1.00 0.67 N ATOM 664 C8 DA A 24 2.697 8.849 3.082 1.00 0.69 C ATOM 665 N7 DA A 24 3.306 8.967 4.237 1.00 0.75 N ATOM 666 C5 DA A 24 2.948 7.813 4.922 1.00 0.76 C ATOM 667 C6 DA A 24 3.267 7.337 6.205 1.00 0.87 C ATOM 668 N6 DA A 24 4.052 7.991 7.064 1.00 1.00 N ATOM 669 N1 DA A 24 2.745 6.149 6.582 1.00 0.92 N ATOM 670 C2 DA A 24 1.957 5.493 5.721 1.00 0.90 C ATOM 671 N3 DA A 24 1.585 5.837 4.490 1.00 0.82 N ATOM 672 C4 DA A 24 2.120 7.022 4.146 1.00 0.73 C ATOM 0 H5' DA A 24 -0.428 10.142 -0.517 1.00 0.71 H new ATOM 0 H5'' DA A 24 1.046 10.259 0.424 1.00 0.71 H new ATOM 0 H4' DA A 24 0.655 7.850 -1.233 1.00 0.72 H new ATOM 0 H3' DA A 24 -1.567 8.343 0.258 1.00 0.76 H new ATOM 0 H2' DA A 24 -0.467 8.551 2.421 1.00 0.72 H new ATOM 0 H2'' DA A 24 -0.882 6.849 2.407 1.00 0.72 H new ATOM 0 H1' DA A 24 1.248 6.169 1.787 1.00 0.69 H new ATOM 0 H8 DA A 24 2.767 9.590 2.300 1.00 0.69 H new ATOM 0 H61 DA A 24 4.246 7.592 7.983 1.00 1.00 H new ATOM 0 H62 DA A 24 4.458 8.889 6.802 1.00 1.00 H new ATOM 0 H2 DA A 24 1.568 4.550 6.076 1.00 0.90 H new ATOM 684 P DA A 25 -2.471 5.808 0.101 1.00 0.44 P ATOM 685 OP1 DA A 25 -3.126 5.755 -1.230 1.00 0.86 O ATOM 686 OP2 DA A 25 -3.132 6.536 1.215 1.00 0.45 O ATOM 687 O5' DA A 25 -2.192 4.312 0.575 1.00 0.66 O ATOM 688 C5' DA A 25 -3.021 3.684 1.554 1.00 0.62 C ATOM 689 C4' DA A 25 -3.036 2.187 1.345 1.00 0.64 C ATOM 690 O4' DA A 25 -1.721 1.755 0.912 1.00 0.66 O ATOM 691 C3' DA A 25 -3.358 1.367 2.598 1.00 0.74 C ATOM 692 O3' DA A 25 -4.174 0.238 2.273 1.00 1.32 O ATOM 693 C2' DA A 25 -1.993 0.923 3.090 1.00 0.72 C ATOM 694 C1' DA A 25 -1.213 0.770 1.798 1.00 0.68 C ATOM 695 N9 DA A 25 0.229 0.983 1.933 1.00 0.65 N ATOM 696 C8 DA A 25 0.981 2.000 1.399 1.00 0.63 C ATOM 697 N7 DA A 25 2.256 1.926 1.697 1.00 0.65 N ATOM 698 C5 DA A 25 2.350 0.783 2.481 1.00 0.68 C ATOM 699 C6 DA A 25 3.438 0.154 3.114 1.00 0.75 C ATOM 700 N6 DA A 25 4.693 0.607 3.062 1.00 0.80 N ATOM 701 N1 DA A 25 3.188 -0.971 3.819 1.00 0.81 N ATOM 702 C2 DA A 25 1.930 -1.426 3.878 1.00 0.80 C ATOM 703 N3 DA A 25 0.827 -0.924 3.327 1.00 0.73 N ATOM 704 C4 DA A 25 1.108 0.193 2.634 1.00 0.67 C ATOM 0 H5' DA A 25 -4.035 4.078 1.488 1.00 0.62 H new ATOM 0 H5'' DA A 25 -2.654 3.915 2.554 1.00 0.62 H new ATOM 0 H4' DA A 25 -3.823 2.012 0.612 1.00 0.64 H new ATOM 0 H3' DA A 25 -3.916 1.933 3.344 1.00 0.74 H new ATOM 0 H2' DA A 25 -1.540 1.661 3.752 1.00 0.72 H new ATOM 0 H2'' DA A 25 -2.046 -0.013 3.645 1.00 0.72 H new ATOM 0 HO3' DA A 25 -4.366 -0.272 3.087 1.00 1.32 H new ATOM 0 H1' DA A 25 -1.336 -0.255 1.450 1.00 0.68 H new ATOM 0 H8 DA A 25 0.562 2.787 0.790 1.00 0.63 H new ATOM 0 H61 DA A 25 5.437 0.103 3.544 1.00 0.80 H new ATOM 0 H62 DA A 25 4.907 1.457 2.540 1.00 0.80 H new ATOM 0 H2 DA A 25 1.790 -2.329 4.455 1.00 0.80 H new TER 717 DA A 25 HETATM 718 C17 BO6 A 101 13.587 -7.447 -6.379 1.00 0.41 C HETATM 719 C18 BO6 A 101 14.560 -6.539 -6.786 1.00 0.41 C HETATM 720 N19 BO6 A 101 14.210 -5.452 -7.586 1.00 0.41 N HETATM 721 C31 BO6 A 101 15.245 -4.487 -8.021 1.00 0.49 C HETATM 722 C20 BO6 A 101 12.883 -5.278 -7.975 1.00 0.42 C HETATM 723 C21 BO6 A 101 11.911 -6.186 -7.566 1.00 0.42 C HETATM 724 C16 BO6 A 101 12.250 -7.279 -6.765 1.00 0.41 C HETATM 725 C15 BO6 A 101 11.305 -8.204 -6.336 1.00 0.47 C HETATM 726 C14 BO6 A 101 11.611 -9.690 -6.118 1.00 0.52 C HETATM 727 C7 BO6 A 101 10.802 -10.535 -5.362 1.00 0.48 C HETATM 728 C6 BO6 A 101 9.470 -10.686 -5.720 1.00 0.48 C HETATM 729 C8 BO6 A 101 11.274 -11.230 -4.272 1.00 0.46 C HETATM 730 C9 BO6 A 101 10.416 -12.054 -3.567 1.00 0.44 C HETATM 731 C2 BO6 A 101 9.136 -12.174 -3.945 1.00 0.43 C HETATM 732 N1 BO6 A 101 8.134 -12.889 -3.440 1.00 0.45 N HETATM 733 C3 BO6 A 101 8.666 -11.496 -5.012 1.00 0.46 C HETATM 734 C4 BO6 A 101 7.377 -11.800 -5.154 1.00 0.48 C HETATM 735 C10 BO6 A 101 6.462 -11.398 -6.051 1.00 0.53 C HETATM 736 C5 BO6 A 101 7.048 -12.668 -4.175 1.00 0.47 C HETATM 737 C13 BO6 A 101 5.801 -13.146 -4.076 1.00 0.53 C HETATM 738 C12 BO6 A 101 4.832 -12.754 -4.983 1.00 0.57 C HETATM 739 C11 BO6 A 101 5.158 -11.871 -5.983 1.00 0.58 C HETATM 740 C22 BO6 A 101 4.225 -11.445 -6.921 1.00 0.65 C HETATM 741 C23 BO6 A 101 4.051 -9.978 -7.334 1.00 0.61 C HETATM 742 C24 BO6 A 101 2.936 -9.495 -8.012 1.00 0.55 C HETATM 743 C25 BO6 A 101 1.675 -10.029 -7.707 1.00 0.58 C HETATM 744 C26 BO6 A 101 0.536 -9.572 -8.363 1.00 0.59 C HETATM 745 N27 BO6 A 101 0.641 -8.576 -9.333 1.00 0.56 N HETATM 746 C30 BO6 A 101 -0.570 -8.091 -10.033 1.00 0.64 C HETATM 747 C28 BO6 A 101 1.890 -8.040 -9.643 1.00 0.54 C HETATM 748 C29 BO6 A 101 3.029 -8.497 -8.986 1.00 0.55 C