USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 247 hydrogens (0 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 DA O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl -30:sc= -0.166 (180deg=-0.446) USER MOD Single : A 12 DT C7 :methyl 150:sc= -0.461 (180deg=-0.461) USER MOD Single : A 18 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.221 12.176 0.363 1.00 1.89 O ATOM 2 C5' DA A 1 -1.043 12.302 -0.294 1.00 1.50 C ATOM 3 C4' DA A 1 -1.516 10.960 -0.853 1.00 1.35 C ATOM 4 O4' DA A 1 -1.675 10.023 0.219 1.00 1.46 O ATOM 5 C3' DA A 1 -2.856 11.035 -1.593 1.00 1.18 C ATOM 6 O3' DA A 1 -2.763 10.302 -2.821 1.00 1.22 O ATOM 7 C2' DA A 1 -3.840 10.351 -0.655 1.00 1.15 C ATOM 8 C1' DA A 1 -2.931 9.365 0.060 1.00 1.29 C ATOM 9 N9 DA A 1 -3.402 8.967 1.401 1.00 1.32 N ATOM 10 C8 DA A 1 -3.558 9.742 2.521 1.00 1.34 C ATOM 11 N7 DA A 1 -3.984 9.084 3.563 1.00 1.40 N ATOM 12 C5 DA A 1 -4.119 7.779 3.099 1.00 1.40 C ATOM 13 C6 DA A 1 -4.533 6.590 3.718 1.00 1.51 C ATOM 14 N6 DA A 1 -4.901 6.523 4.997 1.00 1.58 N ATOM 15 N1 DA A 1 -4.551 5.478 2.967 1.00 1.60 N ATOM 16 C2 DA A 1 -4.180 5.549 1.694 1.00 1.59 C ATOM 17 N3 DA A 1 -3.772 6.599 1.001 1.00 1.49 N ATOM 18 C4 DA A 1 -3.766 7.700 1.782 1.00 1.38 C ATOM 0 H5' DA A 1 -0.964 13.028 -1.103 1.00 1.50 H new ATOM 0 H5'' DA A 1 -1.783 12.687 0.408 1.00 1.50 H new ATOM 0 H4' DA A 1 -0.752 10.652 -1.566 1.00 1.35 H new ATOM 0 H3' DA A 1 -3.152 12.055 -1.838 1.00 1.18 H new ATOM 0 H2' DA A 1 -4.308 11.054 0.034 1.00 1.15 H new ATOM 0 H2'' DA A 1 -4.644 9.852 -1.195 1.00 1.15 H new ATOM 0 HO5' DA A 1 0.499 13.050 0.709 1.00 1.89 H new ATOM 0 H1' DA A 1 -2.891 8.453 -0.536 1.00 1.29 H new ATOM 0 H8 DA A 1 -3.347 10.801 2.539 1.00 1.34 H new ATOM 0 H61 DA A 1 -5.194 5.632 5.397 1.00 1.58 H new ATOM 0 H62 DA A 1 -4.890 7.363 5.575 1.00 1.58 H new ATOM 0 H2 DA A 1 -4.217 4.618 1.148 1.00 1.59 H new ATOM 31 P DG A 2 -3.433 10.875 -4.170 1.00 1.20 P ATOM 32 OP1 DG A 2 -2.684 12.085 -4.575 1.00 1.64 O ATOM 33 OP2 DG A 2 -4.898 10.949 -3.965 1.00 1.41 O ATOM 34 O5' DG A 2 -3.129 9.720 -5.249 1.00 1.05 O ATOM 35 C5' DG A 2 -3.902 8.515 -5.288 1.00 0.84 C ATOM 36 C4' DG A 2 -3.426 7.503 -4.247 1.00 0.68 C ATOM 37 O4' DG A 2 -4.048 7.778 -2.983 1.00 0.83 O ATOM 38 C3' DG A 2 -3.749 6.052 -4.607 1.00 0.55 C ATOM 39 O3' DG A 2 -2.561 5.405 -5.083 1.00 0.49 O ATOM 40 C2' DG A 2 -4.183 5.436 -3.285 1.00 0.74 C ATOM 41 C1' DG A 2 -4.796 6.632 -2.573 1.00 0.88 C ATOM 42 N9 DG A 2 -6.213 6.887 -2.903 1.00 0.94 N ATOM 43 C8 DG A 2 -6.936 6.468 -3.992 1.00 0.90 C ATOM 44 N7 DG A 2 -8.172 6.878 -3.995 1.00 1.05 N ATOM 45 C5 DG A 2 -8.281 7.624 -2.825 1.00 1.19 C ATOM 46 C6 DG A 2 -9.398 8.322 -2.288 1.00 1.42 C ATOM 47 O6 DG A 2 -10.532 8.422 -2.749 1.00 1.52 O ATOM 48 N1 DG A 2 -9.080 8.943 -1.091 1.00 1.60 N ATOM 49 C2 DG A 2 -7.846 8.901 -0.481 1.00 1.58 C ATOM 50 N2 DG A 2 -7.730 9.561 0.666 1.00 1.84 N ATOM 51 N3 DG A 2 -6.797 8.247 -0.979 1.00 1.36 N ATOM 52 C4 DG A 2 -7.087 7.634 -2.150 1.00 1.15 C ATOM 0 H5' DG A 2 -3.836 8.073 -6.282 1.00 0.84 H new ATOM 0 H5'' DG A 2 -4.952 8.750 -5.113 1.00 0.84 H new ATOM 0 H4' DG A 2 -2.342 7.610 -4.206 1.00 0.68 H new ATOM 0 H3' DG A 2 -4.508 5.959 -5.384 1.00 0.55 H new ATOM 0 H2' DG A 2 -4.903 4.630 -3.426 1.00 0.74 H new ATOM 0 H2'' DG A 2 -3.341 5.018 -2.732 1.00 0.74 H new ATOM 0 H1' DG A 2 -4.760 6.426 -1.503 1.00 0.88 H new ATOM 0 H8 DG A 2 -6.518 5.854 -4.776 1.00 0.90 H new ATOM 0 H1 DG A 2 -9.817 9.472 -0.625 1.00 1.60 H new ATOM 0 H21 DG A 2 -6.840 9.566 1.164 1.00 1.84 H new ATOM 0 H22 DG A 2 -8.531 10.063 1.049 1.00 1.84 H new ATOM 64 P DG A 3 -1.997 5.694 -6.569 1.00 0.38 P ATOM 65 OP1 DG A 3 -3.100 5.479 -7.532 1.00 0.59 O ATOM 66 OP2 DG A 3 -0.732 4.942 -6.735 1.00 0.52 O ATOM 67 O5' DG A 3 -1.641 7.267 -6.532 1.00 0.54 O ATOM 68 C5' DG A 3 -0.330 7.719 -6.899 1.00 0.64 C ATOM 69 C4' DG A 3 0.286 8.648 -5.848 1.00 0.47 C ATOM 70 O4' DG A 3 -0.215 8.320 -4.544 1.00 0.46 O ATOM 71 C3' DG A 3 1.816 8.550 -5.780 1.00 0.45 C ATOM 72 O3' DG A 3 2.397 9.860 -5.723 1.00 0.48 O ATOM 73 C2' DG A 3 2.076 7.820 -4.474 1.00 0.43 C ATOM 74 C1' DG A 3 0.891 8.274 -3.644 1.00 0.42 C ATOM 75 N9 DG A 3 0.548 7.357 -2.544 1.00 0.42 N ATOM 76 C8 DG A 3 0.545 7.589 -1.195 1.00 0.45 C ATOM 77 N7 DG A 3 0.177 6.559 -0.484 1.00 0.45 N ATOM 78 C5 DG A 3 -0.078 5.574 -1.432 1.00 0.41 C ATOM 79 C6 DG A 3 -0.511 4.232 -1.260 1.00 0.40 C ATOM 80 O6 DG A 3 -0.758 3.641 -0.214 1.00 0.44 O ATOM 81 N1 DG A 3 -0.640 3.581 -2.478 1.00 0.39 N ATOM 82 C2 DG A 3 -0.386 4.151 -3.703 1.00 0.40 C ATOM 83 N2 DG A 3 -0.558 3.377 -4.762 1.00 0.44 N ATOM 84 N3 DG A 3 0.017 5.406 -3.866 1.00 0.40 N ATOM 85 C4 DG A 3 0.149 6.056 -2.693 1.00 0.40 C ATOM 0 H5' DG A 3 -0.383 8.241 -7.854 1.00 0.64 H new ATOM 0 H5'' DG A 3 0.321 6.857 -7.043 1.00 0.64 H new ATOM 0 H4' DG A 3 0.010 9.659 -6.148 1.00 0.47 H new ATOM 0 H3' DG A 3 2.243 8.046 -6.647 1.00 0.45 H new ATOM 0 H2' DG A 3 2.097 6.738 -4.604 1.00 0.43 H new ATOM 0 H2'' DG A 3 3.027 8.106 -4.025 1.00 0.43 H new ATOM 0 H1' DG A 3 1.135 9.230 -3.181 1.00 0.42 H new ATOM 0 H8 DG A 3 0.822 8.538 -0.759 1.00 0.45 H new ATOM 0 H1 DG A 3 -0.946 2.608 -2.464 1.00 0.39 H new ATOM 0 H21 DG A 3 -0.385 3.746 -5.697 1.00 0.44 H new ATOM 0 H22 DG A 3 -0.864 2.411 -4.643 1.00 0.44 H new ATOM 97 P DG A 4 3.995 10.037 -5.843 1.00 0.53 P ATOM 98 OP1 DG A 4 4.299 11.473 -6.026 1.00 0.69 O ATOM 99 OP2 DG A 4 4.495 9.048 -6.826 1.00 0.57 O ATOM 100 O5' DG A 4 4.521 9.596 -4.377 1.00 0.52 O ATOM 101 C5' DG A 4 4.275 10.424 -3.230 1.00 0.55 C ATOM 102 C4' DG A 4 4.682 9.742 -1.918 1.00 0.54 C ATOM 103 O4' DG A 4 3.930 8.537 -1.735 1.00 0.51 O ATOM 104 C3' DG A 4 6.167 9.361 -1.829 1.00 0.55 C ATOM 105 O3' DG A 4 6.685 9.798 -0.557 1.00 0.63 O ATOM 106 C2' DG A 4 6.159 7.838 -1.895 1.00 0.53 C ATOM 107 C1' DG A 4 4.819 7.533 -1.259 1.00 0.51 C ATOM 108 N9 DG A 4 4.240 6.221 -1.607 1.00 0.49 N ATOM 109 C8 DG A 4 4.093 5.641 -2.839 1.00 0.48 C ATOM 110 N7 DG A 4 3.458 4.495 -2.815 1.00 0.46 N ATOM 111 C5 DG A 4 3.174 4.305 -1.462 1.00 0.44 C ATOM 112 C6 DG A 4 2.499 3.236 -0.803 1.00 0.44 C ATOM 113 O6 DG A 4 1.998 2.231 -1.292 1.00 0.44 O ATOM 114 N1 DG A 4 2.435 3.443 0.566 1.00 0.47 N ATOM 115 C2 DG A 4 2.951 4.538 1.224 1.00 0.50 C ATOM 116 N2 DG A 4 2.796 4.568 2.540 1.00 0.57 N ATOM 117 N3 DG A 4 3.580 5.538 0.613 1.00 0.51 N ATOM 118 C4 DG A 4 3.654 5.356 -0.722 1.00 0.47 C ATOM 0 H5' DG A 4 3.216 10.679 -3.190 1.00 0.55 H new ATOM 0 H5'' DG A 4 4.825 11.359 -3.336 1.00 0.55 H new ATOM 0 H4' DG A 4 4.479 10.485 -1.147 1.00 0.54 H new ATOM 0 H3' DG A 4 6.780 9.809 -2.611 1.00 0.55 H new ATOM 0 H2' DG A 4 6.224 7.468 -2.918 1.00 0.53 H new ATOM 0 H2'' DG A 4 6.989 7.396 -1.343 1.00 0.53 H new ATOM 0 H1' DG A 4 4.963 7.513 -0.179 1.00 0.51 H new ATOM 0 H8 DG A 4 4.467 6.088 -3.748 1.00 0.48 H new ATOM 0 H1 DG A 4 1.971 2.731 1.129 1.00 0.47 H new ATOM 0 H21 DG A 4 3.158 5.355 3.078 1.00 0.57 H new ATOM 0 H22 DG A 4 2.314 3.804 3.014 1.00 0.57 H new ATOM 130 P DC A 5 8.266 10.026 -0.317 1.00 0.72 P ATOM 131 OP1 DC A 5 8.471 11.426 0.120 1.00 1.02 O ATOM 132 OP2 DC A 5 8.993 9.509 -1.498 1.00 0.92 O ATOM 133 O5' DC A 5 8.584 9.053 0.933 1.00 0.61 O ATOM 134 C5' DC A 5 8.491 9.529 2.285 1.00 0.68 C ATOM 135 C4' DC A 5 8.692 8.403 3.304 1.00 0.59 C ATOM 136 O4' DC A 5 7.730 7.369 3.062 1.00 0.58 O ATOM 137 C3' DC A 5 10.080 7.750 3.259 1.00 0.55 C ATOM 138 O3' DC A 5 10.530 7.468 4.592 1.00 0.70 O ATOM 139 C2' DC A 5 9.838 6.445 2.524 1.00 0.52 C ATOM 140 C1' DC A 5 8.414 6.123 2.950 1.00 0.53 C ATOM 141 N1 DC A 5 7.667 5.283 1.992 1.00 0.48 N ATOM 142 C2 DC A 5 7.044 4.143 2.481 1.00 0.46 C ATOM 143 O2 DC A 5 7.095 3.875 3.680 1.00 0.51 O ATOM 144 N3 DC A 5 6.375 3.346 1.603 1.00 0.46 N ATOM 145 C4 DC A 5 6.317 3.656 0.304 1.00 0.43 C ATOM 146 N4 DC A 5 5.662 2.852 -0.529 1.00 0.45 N ATOM 147 C5 DC A 5 6.950 4.833 -0.202 1.00 0.45 C ATOM 148 C6 DC A 5 7.610 5.613 0.671 1.00 0.49 C ATOM 0 H5' DC A 5 7.515 9.990 2.441 1.00 0.68 H new ATOM 0 H5'' DC A 5 9.239 10.304 2.449 1.00 0.68 H new ATOM 0 H4' DC A 5 8.577 8.870 4.282 1.00 0.59 H new ATOM 0 H3' DC A 5 10.831 8.382 2.785 1.00 0.55 H new ATOM 0 H2' DC A 5 9.928 6.559 1.444 1.00 0.52 H new ATOM 0 H2'' DC A 5 10.542 5.668 2.823 1.00 0.52 H new ATOM 0 H1' DC A 5 8.468 5.557 3.880 1.00 0.53 H new ATOM 0 H41 DC A 5 5.611 3.079 -1.522 1.00 0.45 H new ATOM 0 H42 DC A 5 5.211 2.009 -0.175 1.00 0.45 H new ATOM 0 H5 DC A 5 6.900 5.087 -1.250 1.00 0.45 H new ATOM 0 H6 DC A 5 8.100 6.510 0.322 1.00 0.49 H new ATOM 160 P DT A 6 12.101 7.271 4.917 1.00 1.19 P ATOM 161 OP1 DT A 6 12.221 6.690 6.272 1.00 1.39 O ATOM 162 OP2 DT A 6 12.802 8.533 4.590 1.00 1.52 O ATOM 163 O5' DT A 6 12.557 6.150 3.851 1.00 1.34 O ATOM 164 C5' DT A 6 13.173 4.933 4.295 1.00 1.36 C ATOM 165 C4' DT A 6 14.124 4.363 3.245 1.00 1.40 C ATOM 166 O4' DT A 6 14.813 3.235 3.777 1.00 1.66 O ATOM 167 C3' DT A 6 13.443 3.910 1.964 1.00 1.24 C ATOM 168 O3' DT A 6 14.287 4.209 0.849 1.00 1.29 O ATOM 169 C2' DT A 6 13.287 2.399 2.111 1.00 1.41 C ATOM 170 C1' DT A 6 14.280 2.030 3.218 1.00 1.69 C ATOM 171 N1 DT A 6 13.686 1.259 4.334 1.00 1.85 N ATOM 172 C2 DT A 6 14.435 0.225 4.868 1.00 2.25 C ATOM 173 O2 DT A 6 15.541 -0.079 4.432 1.00 2.42 O ATOM 174 N3 DT A 6 13.861 -0.455 5.924 1.00 2.49 N ATOM 175 C4 DT A 6 12.625 -0.198 6.484 1.00 2.38 C ATOM 176 O4 DT A 6 12.216 -0.870 7.427 1.00 2.69 O ATOM 177 C5 DT A 6 11.913 0.896 5.862 1.00 1.96 C ATOM 178 C7 DT A 6 10.532 1.292 6.380 1.00 1.91 C ATOM 179 C6 DT A 6 12.450 1.575 4.831 1.00 1.70 C ATOM 0 H5' DT A 6 12.402 4.198 4.524 1.00 1.36 H new ATOM 0 H5'' DT A 6 13.721 5.119 5.219 1.00 1.36 H new ATOM 0 H4' DT A 6 14.797 5.184 2.995 1.00 1.40 H new ATOM 0 H3' DT A 6 12.485 4.404 1.801 1.00 1.24 H new ATOM 0 H2' DT A 6 12.267 2.128 2.383 1.00 1.41 H new ATOM 0 H2'' DT A 6 13.517 1.881 1.180 1.00 1.41 H new ATOM 0 H1' DT A 6 15.036 1.402 2.747 1.00 1.69 H new ATOM 0 H3 DT A 6 14.401 -1.220 6.329 1.00 2.49 H new ATOM 0 H71 DT A 6 10.031 0.414 6.787 1.00 1.91 H new ATOM 0 H72 DT A 6 10.639 2.044 7.162 1.00 1.91 H new ATOM 0 H73 DT A 6 9.940 1.701 5.561 1.00 1.91 H new ATOM 0 H6 DT A 6 11.894 2.387 4.386 1.00 1.70 H new ATOM 192 P DA A 7 13.980 5.487 -0.079 1.00 1.05 P ATOM 193 OP1 DA A 7 15.141 5.700 -0.972 1.00 1.24 O ATOM 194 OP2 DA A 7 13.508 6.588 0.790 1.00 1.18 O ATOM 195 O5' DA A 7 12.731 4.980 -0.973 1.00 0.77 O ATOM 196 C5' DA A 7 12.934 4.090 -2.083 1.00 0.67 C ATOM 197 C4' DA A 7 11.676 3.279 -2.417 1.00 0.58 C ATOM 198 O4' DA A 7 11.318 2.462 -1.296 1.00 0.61 O ATOM 199 C3' DA A 7 10.441 4.125 -2.773 1.00 0.54 C ATOM 200 O3' DA A 7 9.880 3.656 -4.012 1.00 0.52 O ATOM 201 C2' DA A 7 9.464 3.857 -1.638 1.00 0.54 C ATOM 202 C1' DA A 7 9.901 2.483 -1.175 1.00 0.56 C ATOM 203 N9 DA A 7 9.558 2.189 0.225 1.00 0.62 N ATOM 204 C8 DA A 7 9.839 2.929 1.337 1.00 0.72 C ATOM 205 N7 DA A 7 9.398 2.404 2.448 1.00 0.80 N ATOM 206 C5 DA A 7 8.776 1.229 2.034 1.00 0.75 C ATOM 207 C6 DA A 7 8.101 0.211 2.731 1.00 0.84 C ATOM 208 N6 DA A 7 7.932 0.216 4.052 1.00 0.95 N ATOM 209 N1 DA A 7 7.608 -0.807 2.008 1.00 0.86 N ATOM 210 C2 DA A 7 7.777 -0.808 0.690 1.00 0.81 C ATOM 211 N3 DA A 7 8.387 0.083 -0.074 1.00 0.70 N ATOM 212 C4 DA A 7 8.871 1.092 0.679 1.00 0.66 C ATOM 0 H5' DA A 7 13.753 3.408 -1.854 1.00 0.67 H new ATOM 0 H5'' DA A 7 13.235 4.667 -2.958 1.00 0.67 H new ATOM 0 H4' DA A 7 11.942 2.696 -3.299 1.00 0.58 H new ATOM 0 H3' DA A 7 10.672 5.184 -2.890 1.00 0.54 H new ATOM 0 H2' DA A 7 9.544 4.601 -0.845 1.00 0.54 H new ATOM 0 H2'' DA A 7 8.429 3.864 -1.979 1.00 0.54 H new ATOM 0 H1' DA A 7 9.389 1.735 -1.780 1.00 0.56 H new ATOM 0 H8 DA A 7 10.378 3.864 1.301 1.00 0.72 H new ATOM 0 H61 DA A 7 7.433 -0.550 4.505 1.00 0.95 H new ATOM 0 H62 DA A 7 8.301 0.986 4.610 1.00 0.95 H new ATOM 0 H2 DA A 7 7.357 -1.656 0.169 1.00 0.81 H new ATOM 224 P DG A 8 8.544 4.319 -4.643 1.00 0.54 P ATOM 225 OP1 DG A 8 8.902 5.641 -5.201 1.00 0.81 O ATOM 226 OP2 DG A 8 7.451 4.215 -3.648 1.00 0.73 O ATOM 227 O5' DG A 8 8.209 3.329 -5.870 1.00 0.49 O ATOM 228 C5' DG A 8 7.845 1.963 -5.634 1.00 0.48 C ATOM 229 C4' DG A 8 7.024 1.394 -6.789 1.00 0.40 C ATOM 230 O4' DG A 8 6.488 0.123 -6.414 1.00 0.45 O ATOM 231 C3' DG A 8 5.840 2.264 -7.182 1.00 0.36 C ATOM 232 O3' DG A 8 5.532 2.081 -8.568 1.00 0.38 O ATOM 233 C2' DG A 8 4.709 1.726 -6.330 1.00 0.42 C ATOM 234 C1' DG A 8 5.077 0.255 -6.176 1.00 0.45 C ATOM 235 N9 DG A 8 4.793 -0.264 -4.829 1.00 0.51 N ATOM 236 C8 DG A 8 5.139 0.281 -3.625 1.00 0.62 C ATOM 237 N7 DG A 8 4.694 -0.376 -2.596 1.00 0.63 N ATOM 238 C5 DG A 8 4.002 -1.441 -3.157 1.00 0.52 C ATOM 239 C6 DG A 8 3.297 -2.495 -2.526 1.00 0.51 C ATOM 240 O6 DG A 8 3.143 -2.694 -1.327 1.00 0.59 O ATOM 241 N1 DG A 8 2.739 -3.358 -3.453 1.00 0.45 N ATOM 242 C2 DG A 8 2.846 -3.230 -4.818 1.00 0.40 C ATOM 243 N2 DG A 8 2.245 -4.165 -5.547 1.00 0.41 N ATOM 244 N3 DG A 8 3.508 -2.240 -5.418 1.00 0.38 N ATOM 245 C4 DG A 8 4.058 -1.384 -4.527 1.00 0.45 C ATOM 0 H5' DG A 8 7.272 1.893 -4.710 1.00 0.48 H new ATOM 0 H5'' DG A 8 8.745 1.364 -5.497 1.00 0.48 H new ATOM 0 H4' DG A 8 7.709 1.332 -7.635 1.00 0.40 H new ATOM 0 H3' DG A 8 6.025 3.328 -7.033 1.00 0.36 H new ATOM 0 H2' DG A 8 4.652 2.232 -5.366 1.00 0.42 H new ATOM 0 H2'' DG A 8 3.741 1.853 -6.815 1.00 0.42 H new ATOM 0 H1' DG A 8 4.478 -0.315 -6.886 1.00 0.45 H new ATOM 0 H8 DG A 8 5.731 1.180 -3.536 1.00 0.62 H new ATOM 0 H1 DG A 8 2.207 -4.151 -3.096 1.00 0.45 H new ATOM 0 H21 DG A 8 2.289 -4.124 -6.565 1.00 0.41 H new ATOM 0 H22 DG A 8 1.740 -4.923 -5.088 1.00 0.41 H new ATOM 257 P DG A 9 4.307 2.887 -9.240 1.00 0.44 P ATOM 258 OP1 DG A 9 4.652 3.165 -10.651 1.00 0.57 O ATOM 259 OP2 DG A 9 3.934 4.004 -8.341 1.00 0.53 O ATOM 260 O5' DG A 9 3.108 1.798 -9.222 1.00 0.38 O ATOM 261 C5' DG A 9 3.107 0.708 -10.158 1.00 0.44 C ATOM 262 C4' DG A 9 1.894 -0.219 -9.999 1.00 0.38 C ATOM 263 O4' DG A 9 1.894 -0.824 -8.699 1.00 0.39 O ATOM 264 C3' DG A 9 0.523 0.467 -10.168 1.00 0.37 C ATOM 265 O3' DG A 9 -0.224 -0.216 -11.194 1.00 0.41 O ATOM 266 C2' DG A 9 -0.157 0.270 -8.815 1.00 0.38 C ATOM 267 C1' DG A 9 0.531 -0.990 -8.335 1.00 0.34 C ATOM 268 N9 DG A 9 0.443 -1.230 -6.885 1.00 0.35 N ATOM 269 C8 DG A 9 -0.076 -2.319 -6.245 1.00 0.40 C ATOM 270 N7 DG A 9 -0.031 -2.244 -4.945 1.00 0.41 N ATOM 271 C5 DG A 9 0.565 -1.009 -4.708 1.00 0.36 C ATOM 272 C6 DG A 9 0.882 -0.371 -3.481 1.00 0.36 C ATOM 273 O6 DG A 9 0.691 -0.777 -2.337 1.00 0.43 O ATOM 274 N1 DG A 9 1.474 0.862 -3.689 1.00 0.33 N ATOM 275 C2 DG A 9 1.731 1.422 -4.919 1.00 0.31 C ATOM 276 N2 DG A 9 2.305 2.623 -4.914 1.00 0.35 N ATOM 277 N3 DG A 9 1.435 0.826 -6.073 1.00 0.32 N ATOM 278 C4 DG A 9 0.857 -0.381 -5.892 1.00 0.33 C ATOM 0 H5' DG A 9 4.020 0.127 -10.031 1.00 0.44 H new ATOM 0 H5'' DG A 9 3.122 1.107 -11.172 1.00 0.44 H new ATOM 0 H4' DG A 9 2.008 -0.946 -10.803 1.00 0.38 H new ATOM 0 H3' DG A 9 0.598 1.517 -10.452 1.00 0.37 H new ATOM 0 H2' DG A 9 0.007 1.112 -8.143 1.00 0.38 H new ATOM 0 H2'' DG A 9 -1.235 0.142 -8.909 1.00 0.38 H new ATOM 0 H1' DG A 9 0.042 -1.853 -8.787 1.00 0.34 H new ATOM 0 H8 DG A 9 -0.488 -3.168 -6.770 1.00 0.40 H new ATOM 0 H1 DG A 9 1.741 1.399 -2.864 1.00 0.33 H new ATOM 0 H21 DG A 9 2.520 3.089 -5.795 1.00 0.35 H new ATOM 0 H22 DG A 9 2.530 3.077 -4.029 1.00 0.35 H new ATOM 290 P DG A 10 -1.786 0.108 -11.463 1.00 0.48 P ATOM 291 OP1 DG A 10 -2.217 -0.645 -12.662 1.00 0.58 O ATOM 292 OP2 DG A 10 -1.971 1.574 -11.409 1.00 0.56 O ATOM 293 O5' DG A 10 -2.512 -0.532 -10.177 1.00 0.44 O ATOM 294 C5' DG A 10 -2.722 -1.945 -10.070 1.00 0.46 C ATOM 295 C4' DG A 10 -3.695 -2.271 -8.942 1.00 0.42 C ATOM 296 O4' DG A 10 -3.075 -2.024 -7.672 1.00 0.44 O ATOM 297 C3' DG A 10 -4.977 -1.434 -8.989 1.00 0.40 C ATOM 298 O3' DG A 10 -6.112 -2.291 -8.850 1.00 0.43 O ATOM 299 C2' DG A 10 -4.868 -0.519 -7.777 1.00 0.40 C ATOM 300 C1' DG A 10 -4.028 -1.366 -6.842 1.00 0.40 C ATOM 301 N9 DG A 10 -3.300 -0.584 -5.829 1.00 0.41 N ATOM 302 C8 DG A 10 -2.542 0.537 -6.012 1.00 0.45 C ATOM 303 N7 DG A 10 -2.047 1.026 -4.911 1.00 0.48 N ATOM 304 C5 DG A 10 -2.514 0.167 -3.923 1.00 0.46 C ATOM 305 C6 DG A 10 -2.304 0.197 -2.519 1.00 0.51 C ATOM 306 O6 DG A 10 -1.652 1.008 -1.865 1.00 0.58 O ATOM 307 N1 DG A 10 -2.956 -0.851 -1.885 1.00 0.51 N ATOM 308 C2 DG A 10 -3.713 -1.810 -2.524 1.00 0.48 C ATOM 309 N2 DG A 10 -4.266 -2.739 -1.756 1.00 0.54 N ATOM 310 N3 DG A 10 -3.908 -1.839 -3.842 1.00 0.43 N ATOM 311 C4 DG A 10 -3.282 -0.824 -4.476 1.00 0.42 C ATOM 0 H5' DG A 10 -1.770 -2.445 -9.889 1.00 0.46 H new ATOM 0 H5'' DG A 10 -3.111 -2.331 -11.013 1.00 0.46 H new ATOM 0 H4' DG A 10 -3.958 -3.321 -9.071 1.00 0.42 H new ATOM 0 H3' DG A 10 -5.092 -0.883 -9.922 1.00 0.40 H new ATOM 0 H2' DG A 10 -4.386 0.428 -8.019 1.00 0.40 H new ATOM 0 H2'' DG A 10 -5.843 -0.281 -7.352 1.00 0.40 H new ATOM 0 H1' DG A 10 -4.683 -2.042 -6.292 1.00 0.40 H new ATOM 0 H8 DG A 10 -2.369 0.978 -6.982 1.00 0.45 H new ATOM 0 H1 DG A 10 -2.869 -0.917 -0.871 1.00 0.51 H new ATOM 0 H21 DG A 10 -4.837 -3.473 -2.175 1.00 0.54 H new ATOM 0 H22 DG A 10 -4.121 -2.719 -0.747 1.00 0.54 H new ATOM 323 P DC A 11 -7.596 -1.752 -9.170 1.00 0.45 P ATOM 324 OP1 DC A 11 -8.171 -2.590 -10.246 1.00 0.63 O ATOM 325 OP2 DC A 11 -7.534 -0.281 -9.334 1.00 0.56 O ATOM 326 O5' DC A 11 -8.379 -2.075 -7.795 1.00 0.37 O ATOM 327 C5' DC A 11 -8.468 -3.421 -7.308 1.00 0.44 C ATOM 328 C4' DC A 11 -8.637 -3.481 -5.787 1.00 0.43 C ATOM 329 O4' DC A 11 -7.632 -2.691 -5.151 1.00 0.45 O ATOM 330 C3' DC A 11 -9.993 -2.978 -5.266 1.00 0.47 C ATOM 331 O3' DC A 11 -10.700 -4.085 -4.683 1.00 0.53 O ATOM 332 C2' DC A 11 -9.639 -1.947 -4.187 1.00 0.48 C ATOM 333 C1' DC A 11 -8.172 -2.246 -3.915 1.00 0.44 C ATOM 334 N1 DC A 11 -7.390 -1.078 -3.459 1.00 0.46 N ATOM 335 C2 DC A 11 -7.043 -1.032 -2.118 1.00 0.54 C ATOM 336 O2 DC A 11 -7.373 -1.942 -1.365 1.00 0.61 O ATOM 337 N3 DC A 11 -6.331 0.035 -1.670 1.00 0.57 N ATOM 338 C4 DC A 11 -5.970 1.016 -2.503 1.00 0.53 C ATOM 339 N4 DC A 11 -5.270 2.043 -2.027 1.00 0.58 N ATOM 340 C5 DC A 11 -6.321 0.976 -3.889 1.00 0.50 C ATOM 341 C6 DC A 11 -7.030 -0.084 -4.322 1.00 0.46 C ATOM 0 H5' DC A 11 -7.569 -3.968 -7.593 1.00 0.44 H new ATOM 0 H5'' DC A 11 -9.311 -3.922 -7.785 1.00 0.44 H new ATOM 0 H4' DC A 11 -8.559 -4.541 -5.546 1.00 0.43 H new ATOM 0 H3' DC A 11 -10.621 -2.548 -6.046 1.00 0.47 H new ATOM 0 H2' DC A 11 -9.787 -0.926 -4.538 1.00 0.48 H new ATOM 0 H2'' DC A 11 -10.251 -2.069 -3.293 1.00 0.48 H new ATOM 0 H1' DC A 11 -8.113 -2.978 -3.110 1.00 0.44 H new ATOM 0 H41 DC A 11 -4.987 2.800 -2.650 1.00 0.58 H new ATOM 0 H42 DC A 11 -5.017 2.073 -1.039 1.00 0.58 H new ATOM 0 H5 DC A 11 -6.028 1.767 -4.564 1.00 0.50 H new ATOM 0 H6 DC A 11 -7.316 -0.148 -5.361 1.00 0.46 H new ATOM 353 P DT A 12 -12.043 -3.884 -3.806 1.00 1.08 P ATOM 354 OP1 DT A 12 -13.125 -3.440 -4.711 1.00 1.61 O ATOM 355 OP2 DT A 12 -11.704 -3.085 -2.607 1.00 1.63 O ATOM 356 O5' DT A 12 -12.362 -5.395 -3.335 1.00 0.97 O ATOM 357 C5' DT A 12 -11.288 -6.316 -3.091 1.00 0.86 C ATOM 358 C4' DT A 12 -11.043 -6.536 -1.597 1.00 0.82 C ATOM 359 O4' DT A 12 -9.724 -7.066 -1.408 1.00 0.71 O ATOM 360 C3' DT A 12 -11.123 -5.267 -0.752 1.00 0.81 C ATOM 361 O3' DT A 12 -11.572 -5.607 0.567 1.00 0.97 O ATOM 362 C2' DT A 12 -9.683 -4.797 -0.707 1.00 0.63 C ATOM 363 C1' DT A 12 -8.958 -6.132 -0.631 1.00 0.58 C ATOM 364 N1 DT A 12 -7.587 -6.099 -1.175 1.00 0.47 N ATOM 365 C2 DT A 12 -6.553 -6.442 -0.323 1.00 0.56 C ATOM 366 O2 DT A 12 -6.744 -6.801 0.836 1.00 0.76 O ATOM 367 N3 DT A 12 -5.284 -6.375 -0.856 1.00 0.60 N ATOM 368 C4 DT A 12 -4.961 -6.003 -2.147 1.00 0.56 C ATOM 369 O4 DT A 12 -3.792 -5.982 -2.515 1.00 0.72 O ATOM 370 C5 DT A 12 -6.101 -5.665 -2.967 1.00 0.59 C ATOM 371 C7 DT A 12 -5.884 -5.234 -4.416 1.00 0.86 C ATOM 372 C6 DT A 12 -7.352 -5.721 -2.470 1.00 0.57 C ATOM 0 H5' DT A 12 -10.376 -5.940 -3.555 1.00 0.86 H new ATOM 0 H5'' DT A 12 -11.516 -7.271 -3.564 1.00 0.86 H new ATOM 0 H4' DT A 12 -11.833 -7.212 -1.272 1.00 0.82 H new ATOM 0 H3' DT A 12 -11.807 -4.515 -1.145 1.00 0.81 H new ATOM 0 H2' DT A 12 -9.406 -4.225 -1.592 1.00 0.63 H new ATOM 0 H2'' DT A 12 -9.480 -4.165 0.158 1.00 0.63 H new ATOM 0 H1' DT A 12 -8.870 -6.406 0.420 1.00 0.58 H new ATOM 0 H3 DT A 12 -4.510 -6.623 -0.240 1.00 0.60 H new ATOM 0 H71 DT A 12 -6.747 -5.524 -5.015 1.00 0.86 H new ATOM 0 H72 DT A 12 -5.759 -4.152 -4.459 1.00 0.86 H new ATOM 0 H73 DT A 12 -4.990 -5.718 -4.810 1.00 0.86 H new ATOM 0 H6 DT A 12 -8.186 -5.463 -3.106 1.00 0.57 H new ATOM 385 P DA A 13 -11.727 -4.481 1.710 1.00 0.90 P ATOM 386 OP1 DA A 13 -10.385 -4.193 2.265 1.00 1.10 O ATOM 387 OP2 DA A 13 -12.826 -4.893 2.612 1.00 1.01 O ATOM 388 O5' DA A 13 -12.221 -3.196 0.871 1.00 0.78 O ATOM 389 C5' DA A 13 -12.703 -2.024 1.537 1.00 0.74 C ATOM 390 C4' DA A 13 -11.652 -1.428 2.475 1.00 0.82 C ATOM 391 O4' DA A 13 -10.529 -0.965 1.718 1.00 0.89 O ATOM 392 C3' DA A 13 -12.154 -0.240 3.287 1.00 0.87 C ATOM 393 O3' DA A 13 -11.478 -0.193 4.553 1.00 1.10 O ATOM 394 C2' DA A 13 -11.749 0.953 2.439 1.00 0.88 C ATOM 395 C1' DA A 13 -10.444 0.463 1.820 1.00 0.91 C ATOM 396 N9 DA A 13 -10.187 0.982 0.461 1.00 0.83 N ATOM 397 C8 DA A 13 -10.630 0.486 -0.738 1.00 0.85 C ATOM 398 N7 DA A 13 -10.248 1.182 -1.772 1.00 0.89 N ATOM 399 C5 DA A 13 -9.496 2.215 -1.221 1.00 0.82 C ATOM 400 C6 DA A 13 -8.810 3.299 -1.793 1.00 0.86 C ATOM 401 N6 DA A 13 -8.777 3.532 -3.104 1.00 0.97 N ATOM 402 N1 DA A 13 -8.166 4.130 -0.961 1.00 0.93 N ATOM 403 C2 DA A 13 -8.205 3.897 0.345 1.00 1.03 C ATOM 404 N3 DA A 13 -8.814 2.920 1.004 1.00 1.01 N ATOM 405 C4 DA A 13 -9.451 2.101 0.140 1.00 0.85 C ATOM 0 H5' DA A 13 -13.599 -2.272 2.106 1.00 0.74 H new ATOM 0 H5'' DA A 13 -12.993 -1.279 0.796 1.00 0.74 H new ATOM 0 H4' DA A 13 -11.390 -2.233 3.162 1.00 0.82 H new ATOM 0 H3' DA A 13 -13.223 -0.279 3.497 1.00 0.87 H new ATOM 0 H2' DA A 13 -12.497 1.190 1.683 1.00 0.88 H new ATOM 0 H2'' DA A 13 -11.606 1.852 3.039 1.00 0.88 H new ATOM 0 H1' DA A 13 -9.635 0.816 2.459 1.00 0.91 H new ATOM 0 H8 DA A 13 -11.240 -0.401 -0.819 1.00 0.85 H new ATOM 0 H61 DA A 13 -8.263 4.335 -3.466 1.00 0.97 H new ATOM 0 H62 DA A 13 -9.266 2.907 -3.745 1.00 0.97 H new ATOM 0 H2 DA A 13 -7.664 4.603 0.958 1.00 1.03 H new ATOM 417 P DG A 14 -11.584 -1.415 5.606 1.00 1.25 P ATOM 418 OP1 DG A 14 -11.908 -2.655 4.862 1.00 1.61 O ATOM 419 OP2 DG A 14 -12.448 -0.987 6.730 1.00 1.62 O ATOM 420 O5' DG A 14 -10.066 -1.539 6.151 1.00 0.97 O ATOM 421 C5' DG A 14 -9.554 -0.631 7.140 1.00 0.63 C ATOM 422 C4' DG A 14 -8.023 -0.661 7.206 1.00 0.48 C ATOM 423 O4' DG A 14 -7.490 -0.315 5.928 1.00 0.53 O ATOM 424 C3' DG A 14 -7.422 0.325 8.226 1.00 0.41 C ATOM 425 O3' DG A 14 -6.668 -0.388 9.240 1.00 0.45 O ATOM 426 C2' DG A 14 -6.504 1.230 7.400 1.00 0.44 C ATOM 427 C1' DG A 14 -6.282 0.402 6.143 1.00 0.48 C ATOM 428 N9 DG A 14 -5.999 1.215 4.944 1.00 0.49 N ATOM 429 C8 DG A 14 -5.435 2.461 4.882 1.00 0.56 C ATOM 430 N7 DG A 14 -5.281 2.914 3.671 1.00 0.60 N ATOM 431 C5 DG A 14 -5.782 1.895 2.867 1.00 0.52 C ATOM 432 C6 DG A 14 -5.879 1.818 1.452 1.00 0.56 C ATOM 433 O6 DG A 14 -5.527 2.647 0.619 1.00 0.66 O ATOM 434 N1 DG A 14 -6.446 0.621 1.045 1.00 0.55 N ATOM 435 C2 DG A 14 -6.869 -0.378 1.891 1.00 0.53 C ATOM 436 N2 DG A 14 -7.395 -1.454 1.320 1.00 0.63 N ATOM 437 N3 DG A 14 -6.778 -0.311 3.218 1.00 0.49 N ATOM 438 C4 DG A 14 -6.226 0.851 3.637 1.00 0.47 C ATOM 0 H5' DG A 14 -9.964 -0.889 8.116 1.00 0.63 H new ATOM 0 H5'' DG A 14 -9.888 0.381 6.911 1.00 0.63 H new ATOM 0 H4' DG A 14 -7.759 -1.672 7.516 1.00 0.48 H new ATOM 0 H3' DG A 14 -8.188 0.893 8.754 1.00 0.41 H new ATOM 0 H2' DG A 14 -6.971 2.190 7.178 1.00 0.44 H new ATOM 0 H2'' DG A 14 -5.569 1.443 7.918 1.00 0.44 H new ATOM 0 H1' DG A 14 -5.412 -0.237 6.292 1.00 0.48 H new ATOM 0 H8 DG A 14 -5.144 3.019 5.760 1.00 0.56 H new ATOM 0 H1 DG A 14 -6.558 0.469 0.043 1.00 0.55 H new ATOM 0 H21 DG A 14 -7.726 -2.227 1.897 1.00 0.63 H new ATOM 0 H22 DG A 14 -7.468 -1.508 0.304 1.00 0.63 H new ATOM 450 P DG A 15 -5.241 -1.118 8.964 1.00 0.44 P ATOM 451 OP1 DG A 15 -4.835 -1.816 10.207 1.00 0.60 O ATOM 452 OP2 DG A 15 -4.314 -0.150 8.333 1.00 0.63 O ATOM 453 O5' DG A 15 -5.614 -2.241 7.867 1.00 0.62 O ATOM 454 C5' DG A 15 -4.623 -3.164 7.396 1.00 0.53 C ATOM 455 C4' DG A 15 -5.230 -4.267 6.523 1.00 0.48 C ATOM 456 O4' DG A 15 -5.615 -3.730 5.242 1.00 0.54 O ATOM 457 C3' DG A 15 -4.267 -5.417 6.233 1.00 0.41 C ATOM 458 O3' DG A 15 -5.017 -6.638 6.094 1.00 0.41 O ATOM 459 C2' DG A 15 -3.663 -5.012 4.902 1.00 0.43 C ATOM 460 C1' DG A 15 -4.885 -4.427 4.220 1.00 0.45 C ATOM 461 N9 DG A 15 -4.582 -3.473 3.129 1.00 0.46 N ATOM 462 C8 DG A 15 -4.731 -3.640 1.770 1.00 0.48 C ATOM 463 N7 DG A 15 -4.365 -2.607 1.070 1.00 0.50 N ATOM 464 C5 DG A 15 -3.943 -1.685 2.020 1.00 0.49 C ATOM 465 C6 DG A 15 -3.437 -0.370 1.844 1.00 0.52 C ATOM 466 O6 DG A 15 -3.254 0.242 0.794 1.00 0.56 O ATOM 467 N1 DG A 15 -3.132 0.224 3.057 1.00 0.54 N ATOM 468 C2 DG A 15 -3.290 -0.370 4.290 1.00 0.53 C ATOM 469 N2 DG A 15 -2.940 0.362 5.345 1.00 0.57 N ATOM 470 N3 DG A 15 -3.765 -1.607 4.461 1.00 0.48 N ATOM 471 C4 DG A 15 -4.071 -2.204 3.284 1.00 0.47 C ATOM 0 H5' DG A 15 -4.115 -3.615 8.248 1.00 0.53 H new ATOM 0 H5'' DG A 15 -3.868 -2.624 6.824 1.00 0.53 H new ATOM 0 H4' DG A 15 -6.079 -4.647 7.092 1.00 0.48 H new ATOM 0 H3' DG A 15 -3.521 -5.587 7.010 1.00 0.41 H new ATOM 0 H2' DG A 15 -2.860 -4.283 5.014 1.00 0.43 H new ATOM 0 H2'' DG A 15 -3.249 -5.861 4.358 1.00 0.43 H new ATOM 0 H1' DG A 15 -5.436 -5.244 3.754 1.00 0.45 H new ATOM 0 H8 DG A 15 -5.117 -4.546 1.326 1.00 0.48 H new ATOM 0 H1 DG A 15 -2.762 1.174 3.036 1.00 0.54 H new ATOM 0 H21 DG A 15 -3.033 -0.022 6.285 1.00 0.57 H new ATOM 0 H22 DG A 15 -2.578 1.307 5.213 1.00 0.57 H new ATOM 483 P DG A 16 -4.287 -8.064 5.901 1.00 0.42 P ATOM 484 OP1 DG A 16 -5.300 -9.132 6.051 1.00 0.59 O ATOM 485 OP2 DG A 16 -3.068 -8.086 6.739 1.00 0.50 O ATOM 486 O5' DG A 16 -3.828 -8.031 4.353 1.00 0.42 O ATOM 487 C5' DG A 16 -4.752 -8.360 3.308 1.00 0.46 C ATOM 488 C4' DG A 16 -4.059 -8.465 1.950 1.00 0.45 C ATOM 489 O4' DG A 16 -3.637 -7.165 1.519 1.00 0.44 O ATOM 490 C3' DG A 16 -2.820 -9.370 1.953 1.00 0.43 C ATOM 491 O3' DG A 16 -2.877 -10.255 0.825 1.00 0.54 O ATOM 492 C2' DG A 16 -1.653 -8.401 1.803 1.00 0.37 C ATOM 493 C1' DG A 16 -2.300 -7.261 1.037 1.00 0.35 C ATOM 494 N9 DG A 16 -1.661 -5.950 1.245 1.00 0.32 N ATOM 495 C8 DG A 16 -1.257 -5.371 2.418 1.00 0.35 C ATOM 496 N7 DG A 16 -0.751 -4.179 2.273 1.00 0.37 N ATOM 497 C5 DG A 16 -0.820 -3.953 0.903 1.00 0.34 C ATOM 498 C6 DG A 16 -0.412 -2.824 0.148 1.00 0.37 C ATOM 499 O6 DG A 16 0.082 -1.775 0.551 1.00 0.44 O ATOM 500 N1 DG A 16 -0.653 -3.005 -1.205 1.00 0.37 N ATOM 501 C2 DG A 16 -1.219 -4.129 -1.765 1.00 0.36 C ATOM 502 N2 DG A 16 -1.369 -4.118 -3.086 1.00 0.42 N ATOM 503 N3 DG A 16 -1.605 -5.191 -1.058 1.00 0.34 N ATOM 504 C4 DG A 16 -1.375 -5.033 0.266 1.00 0.31 C ATOM 0 H5' DG A 16 -5.532 -7.600 3.260 1.00 0.46 H new ATOM 0 H5'' DG A 16 -5.242 -9.306 3.540 1.00 0.46 H new ATOM 0 H4' DG A 16 -4.797 -8.904 1.279 1.00 0.45 H new ATOM 0 H3' DG A 16 -2.738 -9.985 2.849 1.00 0.43 H new ATOM 0 H2' DG A 16 -1.263 -8.077 2.768 1.00 0.37 H new ATOM 0 H2'' DG A 16 -0.821 -8.843 1.255 1.00 0.37 H new ATOM 0 H1' DG A 16 -2.215 -7.484 -0.027 1.00 0.35 H new ATOM 0 H8 DG A 16 -1.349 -5.858 3.377 1.00 0.35 H new ATOM 0 H1 DG A 16 -0.391 -2.247 -1.835 1.00 0.37 H new ATOM 0 H21 DG A 16 -1.782 -4.922 -3.559 1.00 0.42 H new ATOM 0 H22 DG A 16 -1.071 -3.306 -3.626 1.00 0.42 H new ATOM 516 P DC A 17 -1.710 -11.338 0.537 1.00 0.53 P ATOM 517 OP1 DC A 17 -2.332 -12.679 0.441 1.00 0.70 O ATOM 518 OP2 DC A 17 -0.602 -11.108 1.492 1.00 0.56 O ATOM 519 O5' DC A 17 -1.206 -10.912 -0.931 1.00 0.53 O ATOM 520 C5' DC A 17 -2.033 -11.129 -2.080 1.00 0.67 C ATOM 521 C4' DC A 17 -1.343 -10.653 -3.353 1.00 0.59 C ATOM 522 O4' DC A 17 -1.146 -9.239 -3.278 1.00 0.54 O ATOM 523 C3' DC A 17 0.017 -11.311 -3.587 1.00 0.60 C ATOM 524 O3' DC A 17 0.098 -11.802 -4.930 1.00 0.83 O ATOM 525 C2' DC A 17 1.038 -10.201 -3.379 1.00 0.52 C ATOM 526 C1' DC A 17 0.220 -8.926 -3.548 1.00 0.43 C ATOM 527 N1 DC A 17 0.614 -7.850 -2.617 1.00 0.37 N ATOM 528 C2 DC A 17 1.077 -6.656 -3.155 1.00 0.41 C ATOM 529 O2 DC A 17 1.137 -6.509 -4.375 1.00 0.46 O ATOM 530 N3 DC A 17 1.465 -5.671 -2.300 1.00 0.49 N ATOM 531 C4 DC A 17 1.402 -5.851 -0.975 1.00 0.46 C ATOM 532 N4 DC A 17 1.791 -4.873 -0.165 1.00 0.58 N ATOM 533 C5 DC A 17 0.925 -7.076 -0.417 1.00 0.38 C ATOM 534 C6 DC A 17 0.542 -8.042 -1.268 1.00 0.37 C ATOM 0 H5' DC A 17 -2.978 -10.601 -1.956 1.00 0.67 H new ATOM 0 H5'' DC A 17 -2.270 -12.190 -2.166 1.00 0.67 H new ATOM 0 H4' DC A 17 -1.992 -10.931 -4.183 1.00 0.59 H new ATOM 0 H3' DC A 17 0.185 -12.155 -2.918 1.00 0.60 H new ATOM 0 H2' DC A 17 1.495 -10.256 -2.391 1.00 0.52 H new ATOM 0 H2'' DC A 17 1.847 -10.258 -4.108 1.00 0.52 H new ATOM 0 H1' DC A 17 0.388 -8.569 -4.564 1.00 0.43 H new ATOM 0 H41 DC A 17 1.747 -5.000 0.846 1.00 0.58 H new ATOM 0 H42 DC A 17 2.134 -3.995 -0.554 1.00 0.58 H new ATOM 0 H5 DC A 17 0.874 -7.221 0.652 1.00 0.38 H new ATOM 0 H6 DC A 17 0.173 -8.980 -0.881 1.00 0.37 H new ATOM 546 P DT A 18 0.357 -13.369 -5.210 1.00 1.58 P ATOM 547 OP1 DT A 18 0.884 -13.513 -6.585 1.00 2.13 O ATOM 548 OP2 DT A 18 -0.850 -14.122 -4.804 1.00 2.15 O ATOM 549 O5' DT A 18 1.547 -13.722 -4.178 1.00 1.48 O ATOM 550 C5' DT A 18 2.902 -13.360 -4.472 1.00 1.68 C ATOM 551 C4' DT A 18 3.829 -13.612 -3.284 1.00 1.52 C ATOM 552 O4' DT A 18 5.173 -13.328 -3.667 1.00 1.79 O ATOM 553 C3' DT A 18 3.516 -12.752 -2.053 1.00 1.12 C ATOM 554 O3' DT A 18 3.191 -13.603 -0.945 1.00 0.95 O ATOM 555 C2' DT A 18 4.813 -11.996 -1.757 1.00 1.24 C ATOM 556 C1' DT A 18 5.849 -12.790 -2.539 1.00 1.56 C ATOM 557 N1 DT A 18 6.978 -11.978 -3.040 1.00 1.98 N ATOM 558 C2 DT A 18 8.260 -12.437 -2.796 1.00 2.32 C ATOM 559 O2 DT A 18 8.479 -13.477 -2.180 1.00 2.28 O ATOM 560 N3 DT A 18 9.286 -11.652 -3.281 1.00 2.77 N ATOM 561 C4 DT A 18 9.147 -10.466 -3.978 1.00 2.91 C ATOM 562 O4 DT A 18 10.136 -9.849 -4.363 1.00 3.36 O ATOM 563 C5 DT A 18 7.773 -10.064 -4.186 1.00 2.55 C ATOM 564 C7 DT A 18 7.468 -8.770 -4.937 1.00 2.76 C ATOM 565 C6 DT A 18 6.754 -10.813 -3.723 1.00 2.11 C ATOM 0 H5' DT A 18 2.945 -12.307 -4.749 1.00 1.68 H new ATOM 0 H5'' DT A 18 3.252 -13.930 -5.333 1.00 1.68 H new ATOM 0 H4' DT A 18 3.680 -14.656 -3.009 1.00 1.52 H new ATOM 0 H3' DT A 18 2.675 -12.079 -2.220 1.00 1.12 H new ATOM 0 H2' DT A 18 4.762 -10.959 -2.089 1.00 1.24 H new ATOM 0 H2'' DT A 18 5.037 -11.978 -0.690 1.00 1.24 H new ATOM 0 H1' DT A 18 6.274 -13.539 -1.870 1.00 1.56 H new ATOM 0 H3 DT A 18 10.237 -11.978 -3.109 1.00 2.77 H new ATOM 0 H71 DT A 18 6.515 -8.867 -5.457 1.00 2.76 H new ATOM 0 H72 DT A 18 7.413 -7.943 -4.229 1.00 2.76 H new ATOM 0 H73 DT A 18 8.258 -8.575 -5.662 1.00 2.76 H new ATOM 0 H6 DT A 18 5.739 -10.488 -3.894 1.00 2.11 H new ATOM 578 P DA A 19 1.951 -13.251 0.026 1.00 0.76 P ATOM 579 OP1 DA A 19 1.761 -14.383 0.963 1.00 0.92 O ATOM 580 OP2 DA A 19 0.821 -12.796 -0.814 1.00 0.82 O ATOM 581 O5' DA A 19 2.496 -11.980 0.869 1.00 0.54 O ATOM 582 C5' DA A 19 3.333 -12.166 2.024 1.00 0.63 C ATOM 583 C4' DA A 19 4.029 -10.868 2.455 1.00 0.59 C ATOM 584 O4' DA A 19 4.592 -10.233 1.304 1.00 0.57 O ATOM 585 C3' DA A 19 3.115 -9.843 3.147 1.00 0.56 C ATOM 586 O3' DA A 19 3.761 -9.354 4.340 1.00 0.62 O ATOM 587 C2' DA A 19 2.978 -8.713 2.138 1.00 0.74 C ATOM 588 C1' DA A 19 4.251 -8.850 1.322 1.00 0.68 C ATOM 589 N9 DA A 19 4.099 -8.415 -0.071 1.00 0.90 N ATOM 590 C8 DA A 19 3.342 -8.981 -1.056 1.00 1.04 C ATOM 591 N7 DA A 19 3.402 -8.350 -2.197 1.00 1.30 N ATOM 592 C5 DA A 19 4.262 -7.285 -1.940 1.00 1.38 C ATOM 593 C6 DA A 19 4.739 -6.233 -2.738 1.00 1.73 C ATOM 594 N6 DA A 19 4.402 -6.075 -4.016 1.00 2.00 N ATOM 595 N1 DA A 19 5.576 -5.354 -2.163 1.00 1.85 N ATOM 596 C2 DA A 19 5.908 -5.515 -0.887 1.00 1.66 C ATOM 597 N3 DA A 19 5.528 -6.456 -0.038 1.00 1.31 N ATOM 598 C4 DA A 19 4.691 -7.321 -0.644 1.00 1.16 C ATOM 0 H5' DA A 19 4.085 -12.924 1.806 1.00 0.63 H new ATOM 0 H5'' DA A 19 2.730 -12.544 2.850 1.00 0.63 H new ATOM 0 H4' DA A 19 4.780 -11.172 3.185 1.00 0.59 H new ATOM 0 H3' DA A 19 2.152 -10.263 3.436 1.00 0.56 H new ATOM 0 H2' DA A 19 2.086 -8.825 1.521 1.00 0.74 H new ATOM 0 H2'' DA A 19 2.910 -7.740 2.624 1.00 0.74 H new ATOM 0 H1' DA A 19 5.011 -8.218 1.781 1.00 0.68 H new ATOM 0 H8 DA A 19 2.748 -9.870 -0.905 1.00 1.04 H new ATOM 0 H61 DA A 19 4.779 -5.292 -4.550 1.00 2.00 H new ATOM 0 H62 DA A 19 3.767 -6.737 -4.462 1.00 2.00 H new ATOM 0 H2 DA A 19 6.583 -4.773 -0.486 1.00 1.66 H new ATOM 610 P DG A 20 2.999 -8.379 5.384 1.00 0.56 P ATOM 611 OP1 DG A 20 2.380 -9.217 6.436 1.00 0.84 O ATOM 612 OP2 DG A 20 2.158 -7.436 4.611 1.00 0.55 O ATOM 613 O5' DG A 20 4.213 -7.550 6.047 1.00 0.66 O ATOM 614 C5' DG A 20 4.690 -6.340 5.444 1.00 0.50 C ATOM 615 C4' DG A 20 4.373 -5.121 6.302 1.00 0.44 C ATOM 616 O4' DG A 20 4.852 -3.944 5.642 1.00 0.57 O ATOM 617 C3' DG A 20 2.881 -4.920 6.559 1.00 0.53 C ATOM 618 O3' DG A 20 2.685 -4.412 7.883 1.00 0.81 O ATOM 619 C2' DG A 20 2.475 -3.875 5.535 1.00 0.58 C ATOM 620 C1' DG A 20 3.753 -3.063 5.387 1.00 0.55 C ATOM 621 N9 DG A 20 3.938 -2.495 4.040 1.00 0.49 N ATOM 622 C8 DG A 20 3.711 -3.084 2.824 1.00 0.54 C ATOM 623 N7 DG A 20 3.941 -2.305 1.807 1.00 0.54 N ATOM 624 C5 DG A 20 4.353 -1.109 2.388 1.00 0.48 C ATOM 625 C6 DG A 20 4.741 0.115 1.779 1.00 0.50 C ATOM 626 O6 DG A 20 4.795 0.393 0.584 1.00 0.59 O ATOM 627 N1 DG A 20 5.085 1.066 2.726 1.00 0.48 N ATOM 628 C2 DG A 20 5.061 0.870 4.089 1.00 0.46 C ATOM 629 N2 DG A 20 5.432 1.900 4.841 1.00 0.52 N ATOM 630 N3 DG A 20 4.696 -0.276 4.666 1.00 0.46 N ATOM 631 C4 DG A 20 4.357 -1.218 3.756 1.00 0.45 C ATOM 0 H5' DG A 20 4.237 -6.220 4.460 1.00 0.50 H new ATOM 0 H5'' DG A 20 5.767 -6.409 5.293 1.00 0.50 H new ATOM 0 H4' DG A 20 4.860 -5.293 7.262 1.00 0.44 H new ATOM 0 H3' DG A 20 2.303 -5.840 6.476 1.00 0.53 H new ATOM 0 H2' DG A 20 2.167 -4.326 4.592 1.00 0.58 H new ATOM 0 H2'' DG A 20 1.642 -3.265 5.883 1.00 0.58 H new ATOM 0 H1' DG A 20 3.695 -2.228 6.085 1.00 0.55 H new ATOM 0 H8 DG A 20 3.371 -4.104 2.719 1.00 0.54 H new ATOM 0 H1 DG A 20 5.379 1.982 2.388 1.00 0.48 H new ATOM 0 H21 DG A 20 5.435 1.815 5.857 1.00 0.52 H new ATOM 0 H22 DG A 20 5.714 2.776 4.402 1.00 0.52 H new ATOM 643 P DG A 21 1.212 -4.025 8.418 1.00 0.88 P ATOM 644 OP1 DG A 21 0.907 -4.851 9.607 1.00 1.22 O ATOM 645 OP2 DG A 21 0.277 -4.023 7.268 1.00 0.87 O ATOM 646 O5' DG A 21 1.416 -2.504 8.900 1.00 0.82 O ATOM 647 C5' DG A 21 0.300 -1.618 9.016 1.00 0.74 C ATOM 648 C4' DG A 21 0.750 -0.172 9.203 1.00 0.58 C ATOM 649 O4' DG A 21 1.558 0.223 8.089 1.00 0.58 O ATOM 650 C3' DG A 21 -0.408 0.824 9.308 1.00 0.52 C ATOM 651 O3' DG A 21 -0.221 1.661 10.457 1.00 0.60 O ATOM 652 C2' DG A 21 -0.318 1.656 8.035 1.00 0.47 C ATOM 653 C1' DG A 21 1.150 1.520 7.666 1.00 0.50 C ATOM 654 N9 DG A 21 1.415 1.628 6.218 1.00 0.49 N ATOM 655 C8 DG A 21 2.042 2.635 5.533 1.00 0.55 C ATOM 656 N7 DG A 21 2.096 2.446 4.244 1.00 0.57 N ATOM 657 C5 DG A 21 1.458 1.222 4.059 1.00 0.51 C ATOM 658 C6 DG A 21 1.211 0.494 2.863 1.00 0.53 C ATOM 659 O6 DG A 21 1.494 0.807 1.707 1.00 0.61 O ATOM 660 N1 DG A 21 0.544 -0.698 3.121 1.00 0.51 N ATOM 661 C2 DG A 21 0.160 -1.134 4.373 1.00 0.50 C ATOM 662 N2 DG A 21 -0.470 -2.306 4.432 1.00 0.57 N ATOM 663 N3 DG A 21 0.389 -0.448 5.493 1.00 0.48 N ATOM 664 C4 DG A 21 1.040 0.714 5.262 1.00 0.47 C ATOM 0 H5' DG A 21 -0.319 -1.920 9.861 1.00 0.74 H new ATOM 0 H5'' DG A 21 -0.321 -1.694 8.123 1.00 0.74 H new ATOM 0 H4' DG A 21 1.300 -0.148 10.144 1.00 0.58 H new ATOM 0 H3' DG A 21 -1.376 0.334 9.413 1.00 0.52 H new ATOM 0 H2' DG A 21 -0.972 1.273 7.251 1.00 0.47 H new ATOM 0 H2'' DG A 21 -0.600 2.695 8.207 1.00 0.47 H new ATOM 0 H1' DG A 21 1.694 2.334 8.146 1.00 0.50 H new ATOM 0 H8 DG A 21 2.455 3.508 6.017 1.00 0.55 H new ATOM 0 H1 DG A 21 0.322 -1.296 2.325 1.00 0.51 H new ATOM 0 H21 DG A 21 -0.776 -2.676 5.332 1.00 0.57 H new ATOM 0 H22 DG A 21 -0.646 -2.834 3.577 1.00 0.57 H new ATOM 676 P DG A 22 -1.422 2.590 11.003 1.00 0.80 P ATOM 677 OP1 DG A 22 -1.201 2.841 12.445 1.00 1.02 O ATOM 678 OP2 DG A 22 -2.703 2.009 10.545 1.00 0.93 O ATOM 679 O5' DG A 22 -1.188 3.971 10.208 1.00 0.83 O ATOM 680 C5' DG A 22 0.016 4.725 10.388 1.00 0.82 C ATOM 681 C4' DG A 22 0.088 5.909 9.427 1.00 0.69 C ATOM 682 O4' DG A 22 0.148 5.431 8.075 1.00 0.67 O ATOM 683 C3' DG A 22 -1.114 6.853 9.513 1.00 0.64 C ATOM 684 O3' DG A 22 -0.713 8.218 9.356 1.00 0.72 O ATOM 685 C2' DG A 22 -1.981 6.399 8.353 1.00 0.54 C ATOM 686 C1' DG A 22 -0.916 6.033 7.337 1.00 0.51 C ATOM 687 N9 DG A 22 -1.357 5.073 6.309 1.00 0.42 N ATOM 688 C8 DG A 22 -2.118 3.942 6.456 1.00 0.43 C ATOM 689 N7 DG A 22 -2.318 3.291 5.344 1.00 0.44 N ATOM 690 C5 DG A 22 -1.643 4.047 4.391 1.00 0.38 C ATOM 691 C6 DG A 22 -1.505 3.836 2.994 1.00 0.39 C ATOM 692 O6 DG A 22 -1.953 2.916 2.314 1.00 0.47 O ATOM 693 N1 DG A 22 -0.749 4.836 2.401 1.00 0.39 N ATOM 694 C2 DG A 22 -0.191 5.905 3.066 1.00 0.44 C ATOM 695 N2 DG A 22 0.503 6.762 2.327 1.00 0.52 N ATOM 696 N3 DG A 22 -0.316 6.105 4.377 1.00 0.45 N ATOM 697 C4 DG A 22 -1.053 5.139 4.973 1.00 0.39 C ATOM 0 H5' DG A 22 0.878 4.077 10.232 1.00 0.82 H new ATOM 0 H5'' DG A 22 0.070 5.086 11.415 1.00 0.82 H new ATOM 0 H4' DG A 22 0.980 6.464 9.716 1.00 0.69 H new ATOM 0 H3' DG A 22 -1.625 6.814 10.475 1.00 0.64 H new ATOM 0 H2' DG A 22 -2.613 5.550 8.615 1.00 0.54 H new ATOM 0 H2'' DG A 22 -2.641 7.189 7.995 1.00 0.54 H new ATOM 0 HO3' DG A 22 -1.500 8.799 9.413 1.00 0.72 H new ATOM 0 H1' DG A 22 -0.636 6.941 6.803 1.00 0.51 H new ATOM 0 H8 DG A 22 -2.516 3.619 7.407 1.00 0.43 H new ATOM 0 H1 DG A 22 -0.594 4.775 1.395 1.00 0.39 H new ATOM 0 H21 DG A 22 0.940 7.574 2.763 1.00 0.52 H new ATOM 0 H22 DG A 22 0.599 6.609 1.323 1.00 0.52 H new TER 710 DG A 22