USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 277 hydrogens (6 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 DC O5' : rot 180:sc= -0.336 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot 180:sc= -0.0192 USER MOD Single : B 20 DT C7 :methyl 150:sc=-0.00185 (180deg=-0.00185) USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -10.733 9.236 -11.455 1.00 1.50 O ATOM 2 C5' DC A 1 -11.127 8.364 -12.518 1.00 1.49 C ATOM 3 C4' DC A 1 -10.385 7.047 -12.435 1.00 1.35 C ATOM 4 O4' DC A 1 -9.260 7.122 -13.337 1.00 1.27 O ATOM 5 C3' DC A 1 -9.805 6.714 -11.057 1.00 1.28 C ATOM 6 O3' DC A 1 -10.568 5.670 -10.435 1.00 1.35 O ATOM 7 C2' DC A 1 -8.393 6.221 -11.345 1.00 1.12 C ATOM 8 C1' DC A 1 -8.196 6.337 -12.844 1.00 1.12 C ATOM 9 N1 DC A 1 -6.940 6.998 -13.214 1.00 1.05 N ATOM 10 C2 DC A 1 -6.156 6.466 -14.240 1.00 1.00 C ATOM 11 O2 DC A 1 -6.542 5.443 -14.823 1.00 1.01 O ATOM 12 N3 DC A 1 -4.997 7.081 -14.570 1.00 0.97 N ATOM 13 C4 DC A 1 -4.618 8.183 -13.918 1.00 0.99 C ATOM 14 N4 DC A 1 -3.469 8.756 -14.277 1.00 1.00 N ATOM 15 C5 DC A 1 -5.402 8.746 -12.869 1.00 1.04 C ATOM 16 C6 DC A 1 -6.544 8.123 -12.554 1.00 1.06 C ATOM 0 H5' DC A 1 -10.927 8.840 -13.478 1.00 1.49 H new ATOM 0 H5'' DC A 1 -12.201 8.185 -12.469 1.00 1.49 H new ATOM 0 H4' DC A 1 -11.116 6.275 -12.676 1.00 1.35 H new ATOM 0 H3' DC A 1 -9.822 7.571 -10.384 1.00 1.28 H new ATOM 0 H2' DC A 1 -7.656 6.819 -10.809 1.00 1.12 H new ATOM 0 H2'' DC A 1 -8.267 5.190 -11.015 1.00 1.12 H new ATOM 0 HO5' DC A 1 -11.222 10.082 -11.527 1.00 1.50 H new ATOM 0 H1' DC A 1 -8.166 5.331 -13.262 1.00 1.12 H new ATOM 0 H41 DC A 1 -3.149 9.599 -13.800 1.00 1.00 H new ATOM 0 H42 DC A 1 -2.910 8.351 -15.028 1.00 1.00 H new ATOM 0 H5 DC A 1 -5.087 9.639 -12.349 1.00 1.04 H new ATOM 0 H6 DC A 1 -7.163 8.519 -11.762 1.00 1.06 H new ATOM 29 P DC A 2 -10.013 4.956 -9.102 1.00 1.34 P ATOM 30 OP1 DC A 2 -11.176 4.529 -8.284 1.00 1.54 O ATOM 31 OP2 DC A 2 -8.983 5.846 -8.503 1.00 1.30 O ATOM 32 O5' DC A 2 -9.273 3.650 -9.638 1.00 1.20 O ATOM 33 C5' DC A 2 -9.835 2.873 -10.696 1.00 1.22 C ATOM 34 C4' DC A 2 -8.927 1.716 -11.044 1.00 1.12 C ATOM 35 O4' DC A 2 -7.772 2.236 -11.740 1.00 1.02 O ATOM 36 C3' DC A 2 -8.398 0.901 -9.862 1.00 1.10 C ATOM 37 O3' DC A 2 -8.464 -0.498 -10.163 1.00 1.14 O ATOM 38 C2' DC A 2 -6.956 1.354 -9.714 1.00 0.97 C ATOM 39 C1' DC A 2 -6.576 1.845 -11.096 1.00 0.90 C ATOM 40 N1 DC A 2 -5.692 3.009 -11.055 1.00 0.81 N ATOM 41 C2 DC A 2 -4.525 3.018 -11.817 1.00 0.71 C ATOM 42 O2 DC A 2 -4.266 2.037 -12.525 1.00 0.70 O ATOM 43 N3 DC A 2 -3.710 4.097 -11.761 1.00 0.64 N ATOM 44 C4 DC A 2 -4.030 5.131 -10.979 1.00 0.67 C ATOM 45 N4 DC A 2 -3.197 6.172 -10.952 1.00 0.61 N ATOM 46 C5 DC A 2 -5.220 5.142 -10.191 1.00 0.77 C ATOM 47 C6 DC A 2 -6.013 4.072 -10.266 1.00 0.84 C ATOM 0 H5' DC A 2 -9.987 3.500 -11.574 1.00 1.22 H new ATOM 0 H5'' DC A 2 -10.814 2.498 -10.399 1.00 1.22 H new ATOM 0 H4' DC A 2 -9.546 1.042 -11.637 1.00 1.12 H new ATOM 0 H3' DC A 2 -8.973 1.051 -8.949 1.00 1.10 H new ATOM 0 H2' DC A 2 -6.862 2.145 -8.970 1.00 0.97 H new ATOM 0 H2'' DC A 2 -6.313 0.535 -9.392 1.00 0.97 H new ATOM 0 H1' DC A 2 -6.049 1.044 -11.615 1.00 0.90 H new ATOM 0 H41 DC A 2 -3.409 6.980 -10.366 1.00 0.61 H new ATOM 0 H42 DC A 2 -2.348 6.161 -11.517 1.00 0.61 H new ATOM 0 H5 DC A 2 -5.468 5.982 -9.560 1.00 0.77 H new ATOM 0 H6 DC A 2 -6.927 4.048 -9.690 1.00 0.84 H new ATOM 59 P DT A 3 -7.665 -1.554 -9.249 1.00 1.15 P ATOM 60 OP1 DT A 3 -8.245 -2.901 -9.483 1.00 1.28 O ATOM 61 OP2 DT A 3 -7.611 -1.008 -7.869 1.00 1.19 O ATOM 62 O5' DT A 3 -6.187 -1.535 -9.848 1.00 1.01 O ATOM 63 C5' DT A 3 -5.952 -1.869 -11.216 1.00 0.96 C ATOM 64 C4' DT A 3 -4.640 -2.604 -11.365 1.00 0.92 C ATOM 65 O4' DT A 3 -3.587 -1.643 -11.610 1.00 0.81 O ATOM 66 C3' DT A 3 -4.191 -3.418 -10.150 1.00 0.99 C ATOM 67 O3' DT A 3 -3.563 -4.632 -10.602 1.00 1.05 O ATOM 68 C2' DT A 3 -3.226 -2.483 -9.445 1.00 0.91 C ATOM 69 C1' DT A 3 -2.602 -1.720 -10.595 1.00 0.79 C ATOM 70 N1 DT A 3 -2.208 -0.352 -10.255 1.00 0.70 N ATOM 71 C2 DT A 3 -1.007 0.132 -10.714 1.00 0.62 C ATOM 72 O2 DT A 3 -0.237 -0.526 -11.391 1.00 0.63 O ATOM 73 N3 DT A 3 -0.739 1.421 -10.349 1.00 0.54 N ATOM 74 C4 DT A 3 -1.525 2.249 -9.580 1.00 0.55 C ATOM 75 O4 DT A 3 -1.148 3.391 -9.334 1.00 0.49 O ATOM 76 C5 DT A 3 -2.767 1.669 -9.118 1.00 0.66 C ATOM 77 C7 DT A 3 -3.581 2.426 -8.117 1.00 0.72 C ATOM 78 C6 DT A 3 -3.053 0.412 -9.490 1.00 0.72 C ATOM 0 H5' DT A 3 -5.938 -0.962 -11.820 1.00 0.96 H new ATOM 0 H5'' DT A 3 -6.767 -2.489 -11.590 1.00 0.96 H new ATOM 0 H4' DT A 3 -4.813 -3.303 -12.183 1.00 0.92 H new ATOM 0 H3' DT A 3 -4.995 -3.733 -9.485 1.00 0.99 H new ATOM 0 H2' DT A 3 -3.740 -1.819 -8.750 1.00 0.91 H new ATOM 0 H2'' DT A 3 -2.479 -3.030 -8.870 1.00 0.91 H new ATOM 0 H1' DT A 3 -1.695 -2.245 -10.893 1.00 0.79 H new ATOM 0 H3 DT A 3 0.141 1.813 -10.683 1.00 0.54 H new ATOM 0 H71 DT A 3 -4.637 2.193 -8.256 1.00 0.72 H new ATOM 0 H72 DT A 3 -3.276 2.141 -7.110 1.00 0.72 H new ATOM 0 H73 DT A 3 -3.424 3.496 -8.255 1.00 0.72 H new ATOM 0 H6 DT A 3 -3.991 -0.018 -9.173 1.00 0.72 H new ATOM 91 P DC A 4 -2.345 -5.278 -9.770 1.00 1.15 P ATOM 92 OP1 DC A 4 -2.130 -6.643 -10.313 1.00 1.30 O ATOM 93 OP2 DC A 4 -2.607 -5.103 -8.318 1.00 1.25 O ATOM 94 O5' DC A 4 -1.086 -4.386 -10.174 1.00 1.03 O ATOM 95 C5' DC A 4 -0.442 -4.549 -11.442 1.00 0.99 C ATOM 96 C4' DC A 4 1.049 -4.714 -11.256 1.00 0.96 C ATOM 97 O4' DC A 4 1.622 -3.437 -10.889 1.00 0.91 O ATOM 98 C3' DC A 4 1.460 -5.674 -10.143 1.00 1.03 C ATOM 99 O3' DC A 4 2.737 -6.255 -10.430 1.00 1.05 O ATOM 100 C2' DC A 4 1.538 -4.763 -8.932 1.00 1.00 C ATOM 101 C1' DC A 4 2.062 -3.458 -9.536 1.00 0.89 C ATOM 102 N1 DC A 4 1.588 -2.210 -8.903 1.00 0.81 N ATOM 103 C2 DC A 4 2.409 -1.076 -8.955 1.00 0.72 C ATOM 104 O2 DC A 4 3.527 -1.165 -9.485 1.00 0.73 O ATOM 105 N3 DC A 4 1.965 0.088 -8.425 1.00 0.65 N ATOM 106 C4 DC A 4 0.762 0.141 -7.851 1.00 0.68 C ATOM 107 N4 DC A 4 0.362 1.306 -7.340 1.00 0.63 N ATOM 108 C5 DC A 4 -0.086 -0.999 -7.770 1.00 0.78 C ATOM 109 C6 DC A 4 0.364 -2.143 -8.298 1.00 0.84 C ATOM 0 H5' DC A 4 -0.643 -3.684 -12.073 1.00 0.99 H new ATOM 0 H5'' DC A 4 -0.850 -5.420 -11.955 1.00 0.99 H new ATOM 0 H4' DC A 4 1.404 -5.115 -12.206 1.00 0.96 H new ATOM 0 H3' DC A 4 0.775 -6.511 -10.009 1.00 1.03 H new ATOM 0 H2' DC A 4 0.564 -4.630 -8.460 1.00 1.00 H new ATOM 0 H2'' DC A 4 2.211 -5.157 -8.170 1.00 1.00 H new ATOM 0 H1' DC A 4 3.143 -3.466 -9.394 1.00 0.89 H new ATOM 0 H41 DC A 4 -0.552 1.380 -6.894 1.00 0.63 H new ATOM 0 H42 DC A 4 0.971 2.123 -7.395 1.00 0.63 H new ATOM 0 H5 DC A 4 -1.057 -0.943 -7.300 1.00 0.78 H new ATOM 0 H6 DC A 4 -0.251 -3.029 -8.245 1.00 0.84 H new ATOM 121 P DA A 5 3.338 -7.384 -9.455 1.00 1.16 P ATOM 122 OP1 DA A 5 4.275 -8.210 -10.259 1.00 1.36 O ATOM 123 OP2 DA A 5 2.213 -8.039 -8.739 1.00 1.37 O ATOM 124 O5' DA A 5 4.189 -6.560 -8.390 1.00 0.92 O ATOM 125 C5' DA A 5 5.168 -5.610 -8.812 1.00 0.79 C ATOM 126 C4' DA A 5 5.762 -4.901 -7.616 1.00 0.62 C ATOM 127 O4' DA A 5 5.053 -3.669 -7.401 1.00 0.58 O ATOM 128 C3' DA A 5 5.692 -5.649 -6.283 1.00 0.64 C ATOM 129 O3' DA A 5 6.966 -6.259 -6.020 1.00 0.74 O ATOM 130 C2' DA A 5 5.367 -4.560 -5.261 1.00 0.62 C ATOM 131 C1' DA A 5 5.301 -3.273 -6.074 1.00 0.57 C ATOM 132 N9 DA A 5 4.221 -2.387 -5.668 1.00 0.54 N ATOM 133 C8 DA A 5 2.940 -2.776 -5.428 1.00 0.54 C ATOM 134 N7 DA A 5 2.142 -1.795 -5.081 1.00 0.52 N ATOM 135 C5 DA A 5 2.968 -0.679 -5.093 1.00 0.49 C ATOM 136 C6 DA A 5 2.738 0.679 -4.812 1.00 0.47 C ATOM 137 N6 DA A 5 1.557 1.175 -4.448 1.00 0.46 N ATOM 138 N1 DA A 5 3.784 1.526 -4.915 1.00 0.46 N ATOM 139 C2 DA A 5 4.975 1.034 -5.281 1.00 0.48 C ATOM 140 N3 DA A 5 5.315 -0.218 -5.565 1.00 0.51 N ATOM 141 C4 DA A 5 4.255 -1.033 -5.452 1.00 0.51 C ATOM 0 H5' DA A 5 4.713 -4.883 -9.485 1.00 0.79 H new ATOM 0 H5'' DA A 5 5.955 -6.114 -9.373 1.00 0.79 H new ATOM 0 H4' DA A 5 6.815 -4.787 -7.875 1.00 0.62 H new ATOM 0 H3' DA A 5 4.951 -6.448 -6.263 1.00 0.64 H new ATOM 0 H2' DA A 5 4.421 -4.759 -4.758 1.00 0.62 H new ATOM 0 H2'' DA A 5 6.133 -4.501 -4.488 1.00 0.62 H new ATOM 0 H1' DA A 5 6.232 -2.723 -5.935 1.00 0.57 H new ATOM 0 H8 DA A 5 2.610 -3.801 -5.515 1.00 0.54 H new ATOM 0 H61 DA A 5 1.459 2.172 -4.259 1.00 0.46 H new ATOM 0 H62 DA A 5 0.750 0.557 -4.359 1.00 0.46 H new ATOM 0 H2 DA A 5 5.772 1.759 -5.356 1.00 0.48 H new ATOM 153 P DG A 6 7.410 -6.583 -4.507 1.00 0.85 P ATOM 154 OP1 DG A 6 8.647 -7.403 -4.555 1.00 1.03 O ATOM 155 OP2 DG A 6 6.219 -7.093 -3.782 1.00 0.85 O ATOM 156 O5' DG A 6 7.782 -5.154 -3.906 1.00 0.81 O ATOM 157 C5' DG A 6 8.741 -4.310 -4.550 1.00 0.83 C ATOM 158 C4' DG A 6 8.982 -3.068 -3.724 1.00 0.78 C ATOM 159 O4' DG A 6 7.758 -2.291 -3.643 1.00 0.73 O ATOM 160 C3' DG A 6 9.404 -3.345 -2.275 1.00 0.75 C ATOM 161 O3' DG A 6 10.635 -2.676 -1.979 1.00 0.76 O ATOM 162 C2' DG A 6 8.275 -2.768 -1.434 1.00 0.69 C ATOM 163 C1' DG A 6 7.675 -1.729 -2.351 1.00 0.68 C ATOM 164 N9 DG A 6 6.279 -1.407 -2.072 1.00 0.63 N ATOM 165 C8 DG A 6 5.221 -2.278 -1.993 1.00 0.62 C ATOM 166 N7 DG A 6 4.089 -1.690 -1.721 1.00 0.58 N ATOM 167 C5 DG A 6 4.419 -0.346 -1.619 1.00 0.56 C ATOM 168 C6 DG A 6 3.607 0.775 -1.328 1.00 0.53 C ATOM 169 O6 DG A 6 2.389 0.809 -1.122 1.00 0.50 O ATOM 170 N1 DG A 6 4.349 1.949 -1.289 1.00 0.53 N ATOM 171 C2 DG A 6 5.701 2.033 -1.510 1.00 0.56 C ATOM 172 N2 DG A 6 6.239 3.254 -1.429 1.00 0.57 N ATOM 173 N3 DG A 6 6.470 0.996 -1.790 1.00 0.60 N ATOM 174 C4 DG A 6 5.768 -0.156 -1.823 1.00 0.59 C ATOM 0 H5' DG A 6 8.384 -4.032 -5.542 1.00 0.83 H new ATOM 0 H5'' DG A 6 9.677 -4.851 -4.688 1.00 0.83 H new ATOM 0 H4' DG A 6 9.794 -2.546 -4.230 1.00 0.78 H new ATOM 0 H3' DG A 6 9.567 -4.406 -2.084 1.00 0.75 H new ATOM 0 H2' DG A 6 7.548 -3.530 -1.155 1.00 0.69 H new ATOM 0 H2'' DG A 6 8.645 -2.326 -0.509 1.00 0.69 H new ATOM 0 H1' DG A 6 8.217 -0.792 -2.224 1.00 0.68 H new ATOM 0 H8 DG A 6 5.316 -3.344 -2.141 1.00 0.62 H new ATOM 0 H1 DG A 6 3.851 2.814 -1.080 1.00 0.53 H new ATOM 0 H21 DG A 6 7.239 3.382 -1.583 1.00 0.57 H new ATOM 0 H22 DG A 6 5.649 4.058 -1.213 1.00 0.57 H new ATOM 186 P DG A 7 11.265 -2.779 -0.503 1.00 0.72 P ATOM 187 OP1 DG A 7 12.406 -1.831 -0.442 1.00 0.75 O ATOM 188 OP2 DG A 7 11.487 -4.214 -0.193 1.00 0.81 O ATOM 189 O5' DG A 7 10.107 -2.239 0.451 1.00 0.57 O ATOM 190 C5' DG A 7 10.052 -0.865 0.840 1.00 0.55 C ATOM 191 C4' DG A 7 9.293 -0.719 2.139 1.00 0.43 C ATOM 192 O4' DG A 7 7.923 -0.358 1.846 1.00 0.42 O ATOM 193 C3' DG A 7 9.226 -1.986 3.001 1.00 0.38 C ATOM 194 O3' DG A 7 9.849 -1.747 4.266 1.00 0.44 O ATOM 195 C2' DG A 7 7.737 -2.258 3.180 1.00 0.37 C ATOM 196 C1' DG A 7 7.087 -0.929 2.826 1.00 0.37 C ATOM 197 N9 DG A 7 5.729 -0.979 2.282 1.00 0.36 N ATOM 198 C8 DG A 7 5.178 -1.904 1.422 1.00 0.37 C ATOM 199 N7 DG A 7 3.931 -1.654 1.127 1.00 0.38 N ATOM 200 C5 DG A 7 3.641 -0.493 1.831 1.00 0.37 C ATOM 201 C6 DG A 7 2.442 0.265 1.902 1.00 0.38 C ATOM 202 O6 DG A 7 1.359 0.048 1.347 1.00 0.40 O ATOM 203 N1 DG A 7 2.589 1.378 2.725 1.00 0.39 N ATOM 204 C2 DG A 7 3.739 1.713 3.398 1.00 0.39 C ATOM 205 N2 DG A 7 3.693 2.819 4.146 1.00 0.42 N ATOM 206 N3 DG A 7 4.857 1.015 3.343 1.00 0.38 N ATOM 207 C4 DG A 7 4.739 -0.065 2.546 1.00 0.37 C ATOM 0 H5' DG A 7 9.568 -0.278 0.060 1.00 0.55 H new ATOM 0 H5'' DG A 7 11.062 -0.471 0.955 1.00 0.55 H new ATOM 0 H4' DG A 7 9.842 0.037 2.701 1.00 0.43 H new ATOM 0 H3' DG A 7 9.742 -2.831 2.545 1.00 0.38 H new ATOM 0 H2' DG A 7 7.394 -3.059 2.525 1.00 0.37 H new ATOM 0 H2'' DG A 7 7.504 -2.559 4.201 1.00 0.37 H new ATOM 0 H1' DG A 7 6.984 -0.369 3.756 1.00 0.37 H new ATOM 0 H8 DG A 7 5.723 -2.751 1.031 1.00 0.37 H new ATOM 0 H1 DG A 7 1.782 1.991 2.837 1.00 0.39 H new ATOM 0 H21 DG A 7 4.517 3.116 4.668 1.00 0.42 H new ATOM 0 H22 DG A 7 2.834 3.366 4.195 1.00 0.42 H new ATOM 219 P DC A 8 10.127 -2.974 5.268 1.00 0.50 P ATOM 220 OP1 DC A 8 11.592 -3.213 5.281 1.00 0.54 O ATOM 221 OP2 DC A 8 9.205 -4.088 4.928 1.00 0.48 O ATOM 222 O5' DC A 8 9.705 -2.401 6.694 1.00 0.60 O ATOM 223 C5' DC A 8 10.378 -1.274 7.259 1.00 0.65 C ATOM 224 C4' DC A 8 9.395 -0.378 7.977 1.00 0.64 C ATOM 225 O4' DC A 8 8.172 -0.306 7.205 1.00 0.62 O ATOM 226 C3' DC A 8 8.995 -0.844 9.381 1.00 0.65 C ATOM 227 O3' DC A 8 9.118 0.247 10.301 1.00 0.70 O ATOM 228 C2' DC A 8 7.541 -1.273 9.237 1.00 0.56 C ATOM 229 C1' DC A 8 7.053 -0.456 8.056 1.00 0.55 C ATOM 230 N1 DC A 8 5.982 -1.095 7.278 1.00 0.50 N ATOM 231 C2 DC A 8 4.736 -0.464 7.175 1.00 0.48 C ATOM 232 O2 DC A 8 4.554 0.611 7.765 1.00 0.49 O ATOM 233 N3 DC A 8 3.763 -1.044 6.436 1.00 0.45 N ATOM 234 C4 DC A 8 3.998 -2.203 5.817 1.00 0.44 C ATOM 235 N4 DC A 8 3.013 -2.733 5.094 1.00 0.42 N ATOM 236 C5 DC A 8 5.254 -2.868 5.911 1.00 0.46 C ATOM 237 C6 DC A 8 6.204 -2.288 6.652 1.00 0.49 C ATOM 0 H5' DC A 8 10.884 -0.713 6.473 1.00 0.65 H new ATOM 0 H5'' DC A 8 11.146 -1.612 7.954 1.00 0.65 H new ATOM 0 H4' DC A 8 9.909 0.578 8.081 1.00 0.64 H new ATOM 0 H3' DC A 8 9.621 -1.651 9.761 1.00 0.65 H new ATOM 0 H2' DC A 8 7.454 -2.343 9.050 1.00 0.56 H new ATOM 0 H2'' DC A 8 6.967 -1.060 10.139 1.00 0.56 H new ATOM 0 H1' DC A 8 6.639 0.478 8.436 1.00 0.55 H new ATOM 0 H41 DC A 8 3.157 -3.618 4.607 1.00 0.42 H new ATOM 0 H42 DC A 8 2.115 -2.254 5.027 1.00 0.42 H new ATOM 0 H5 DC A 8 5.432 -3.804 5.403 1.00 0.46 H new ATOM 0 H6 DC A 8 7.164 -2.772 6.757 1.00 0.49 H new ATOM 249 P DC A 9 8.666 0.061 11.833 1.00 0.70 P ATOM 250 OP1 DC A 9 9.472 0.986 12.670 1.00 0.78 O ATOM 251 OP2 DC A 9 8.667 -1.393 12.139 1.00 0.70 O ATOM 252 O5' DC A 9 7.155 0.565 11.845 1.00 0.61 O ATOM 253 C5' DC A 9 6.759 1.724 11.107 1.00 0.60 C ATOM 254 C4' DC A 9 5.347 2.117 11.472 1.00 0.53 C ATOM 255 O4' DC A 9 4.431 1.476 10.550 1.00 0.50 O ATOM 256 C3' DC A 9 4.915 1.692 12.877 1.00 0.45 C ATOM 257 O3' DC A 9 4.229 2.767 13.528 1.00 0.45 O ATOM 258 C2' DC A 9 3.994 0.508 12.636 1.00 0.40 C ATOM 259 C1' DC A 9 3.418 0.787 11.259 1.00 0.43 C ATOM 260 N1 DC A 9 3.050 -0.405 10.472 1.00 0.41 N ATOM 261 C2 DC A 9 1.760 -0.488 9.929 1.00 0.39 C ATOM 262 O2 DC A 9 0.952 0.429 10.144 1.00 0.39 O ATOM 263 N3 DC A 9 1.426 -1.565 9.182 1.00 0.39 N ATOM 264 C4 DC A 9 2.320 -2.534 8.973 1.00 0.42 C ATOM 265 N4 DC A 9 1.946 -3.577 8.232 1.00 0.44 N ATOM 266 C5 DC A 9 3.636 -2.479 9.516 1.00 0.45 C ATOM 267 C6 DC A 9 3.952 -1.410 10.259 1.00 0.44 C ATOM 0 H5' DC A 9 6.823 1.523 10.038 1.00 0.60 H new ATOM 0 H5'' DC A 9 7.440 2.549 11.318 1.00 0.60 H new ATOM 0 H4' DC A 9 5.324 3.206 11.427 1.00 0.53 H new ATOM 0 H3' DC A 9 5.752 1.432 13.525 1.00 0.45 H new ATOM 0 H2' DC A 9 4.538 -0.436 12.661 1.00 0.40 H new ATOM 0 H2'' DC A 9 3.213 0.445 13.394 1.00 0.40 H new ATOM 0 H1' DC A 9 2.490 1.341 11.399 1.00 0.43 H new ATOM 0 H41 DC A 9 2.603 -4.336 8.051 1.00 0.44 H new ATOM 0 H42 DC A 9 1.003 -3.616 7.846 1.00 0.44 H new ATOM 0 H5 DC A 9 4.351 -3.268 9.336 1.00 0.45 H new ATOM 0 H6 DC A 9 4.937 -1.341 10.697 1.00 0.44 H new ATOM 279 P DT A 10 3.765 2.608 15.059 1.00 0.41 P ATOM 280 OP1 DT A 10 3.976 3.918 15.726 1.00 0.47 O ATOM 281 OP2 DT A 10 4.391 1.386 15.627 1.00 0.37 O ATOM 282 O5' DT A 10 2.197 2.356 14.946 1.00 0.38 O ATOM 283 C5' DT A 10 1.468 2.792 13.797 1.00 0.42 C ATOM 284 C4' DT A 10 0.132 2.093 13.726 1.00 0.39 C ATOM 285 O4' DT A 10 0.234 0.959 12.839 1.00 0.36 O ATOM 286 C3' DT A 10 -0.379 1.531 15.057 1.00 0.37 C ATOM 287 O3' DT A 10 -1.475 2.326 15.531 1.00 0.43 O ATOM 288 C2' DT A 10 -0.841 0.117 14.716 1.00 0.32 C ATOM 289 C1' DT A 10 -0.786 0.063 13.206 1.00 0.32 C ATOM 290 N1 DT A 10 -0.461 -1.266 12.668 1.00 0.29 N ATOM 291 C2 DT A 10 -1.380 -1.872 11.848 1.00 0.29 C ATOM 292 O2 DT A 10 -2.427 -1.342 11.520 1.00 0.31 O ATOM 293 N3 DT A 10 -1.031 -3.125 11.426 1.00 0.29 N ATOM 294 C4 DT A 10 0.119 -3.817 11.734 1.00 0.31 C ATOM 295 O4 DT A 10 0.295 -4.940 11.272 1.00 0.35 O ATOM 296 C5 DT A 10 1.047 -3.121 12.598 1.00 0.30 C ATOM 297 C7 DT A 10 2.253 -3.857 13.094 1.00 0.34 C ATOM 298 C6 DT A 10 0.723 -1.881 13.007 1.00 0.28 C ATOM 0 H5' DT A 10 2.042 2.585 12.894 1.00 0.42 H new ATOM 0 H5'' DT A 10 1.319 3.871 13.840 1.00 0.42 H new ATOM 0 H4' DT A 10 -0.563 2.863 13.390 1.00 0.39 H new ATOM 0 H3' DT A 10 0.377 1.537 15.842 1.00 0.37 H new ATOM 0 H2' DT A 10 -0.191 -0.634 15.165 1.00 0.32 H new ATOM 0 H2'' DT A 10 -1.849 -0.072 15.085 1.00 0.32 H new ATOM 0 H1' DT A 10 -1.768 0.313 12.805 1.00 0.32 H new ATOM 0 H3 DT A 10 -1.696 -3.600 10.815 1.00 0.29 H new ATOM 0 H71 DT A 10 3.071 -3.153 13.248 1.00 0.34 H new ATOM 0 H72 DT A 10 2.016 -4.350 14.037 1.00 0.34 H new ATOM 0 H73 DT A 10 2.551 -4.604 12.359 1.00 0.34 H new ATOM 0 H6 DT A 10 1.423 -1.344 13.629 1.00 0.28 H new ATOM 311 P DC A 11 -2.426 1.765 16.702 1.00 0.46 P ATOM 312 OP1 DC A 11 -3.214 2.910 17.224 1.00 0.54 O ATOM 313 OP2 DC A 11 -1.600 0.957 17.636 1.00 0.43 O ATOM 314 O5' DC A 11 -3.426 0.781 15.944 1.00 0.47 O ATOM 315 C5' DC A 11 -4.204 1.233 14.832 1.00 0.55 C ATOM 316 C4' DC A 11 -5.392 0.324 14.621 1.00 0.62 C ATOM 317 O4' DC A 11 -4.948 -0.859 13.914 1.00 0.53 O ATOM 318 C3' DC A 11 -6.064 -0.165 15.906 1.00 0.70 C ATOM 319 O3' DC A 11 -7.488 -0.159 15.759 1.00 0.84 O ATOM 320 C2' DC A 11 -5.562 -1.592 16.064 1.00 0.64 C ATOM 321 C1' DC A 11 -5.273 -2.029 14.641 1.00 0.55 C ATOM 322 N1 DC A 11 -4.145 -2.961 14.520 1.00 0.45 N ATOM 323 C2 DC A 11 -4.274 -4.095 13.713 1.00 0.43 C ATOM 324 O2 DC A 11 -5.343 -4.289 13.117 1.00 0.47 O ATOM 325 N3 DC A 11 -3.230 -4.949 13.605 1.00 0.40 N ATOM 326 C4 DC A 11 -2.095 -4.699 14.261 1.00 0.39 C ATOM 327 N4 DC A 11 -1.092 -5.565 14.119 1.00 0.42 N ATOM 328 C5 DC A 11 -1.940 -3.550 15.090 1.00 0.38 C ATOM 329 C6 DC A 11 -2.984 -2.719 15.189 1.00 0.41 C ATOM 0 H5' DC A 11 -3.588 1.253 13.933 1.00 0.55 H new ATOM 0 H5'' DC A 11 -4.545 2.253 15.008 1.00 0.55 H new ATOM 0 H4' DC A 11 -6.121 0.921 14.073 1.00 0.62 H new ATOM 0 H3' DC A 11 -5.833 0.465 16.765 1.00 0.70 H new ATOM 0 H2' DC A 11 -4.668 -1.636 16.686 1.00 0.64 H new ATOM 0 H2'' DC A 11 -6.310 -2.230 16.535 1.00 0.64 H new ATOM 0 H1' DC A 11 -6.153 -2.552 14.268 1.00 0.55 H new ATOM 0 H41 DC A 11 -0.209 -5.407 14.605 1.00 0.42 H new ATOM 0 H42 DC A 11 -1.207 -6.386 13.524 1.00 0.42 H new ATOM 0 H5 DC A 11 -1.017 -3.358 15.617 1.00 0.38 H new ATOM 0 H6 DC A 11 -2.904 -1.840 15.811 1.00 0.41 H new ATOM 341 P DC A 12 -8.421 0.239 17.008 1.00 1.11 P ATOM 342 OP1 DC A 12 -9.538 1.070 16.493 1.00 1.28 O ATOM 343 OP2 DC A 12 -7.549 0.771 18.086 1.00 1.20 O ATOM 344 O5' DC A 12 -9.021 -1.151 17.508 1.00 1.20 O ATOM 345 C5' DC A 12 -10.190 -1.708 16.905 1.00 1.25 C ATOM 346 C4' DC A 12 -10.348 -3.157 17.306 1.00 1.31 C ATOM 347 O4' DC A 12 -9.403 -3.947 16.557 1.00 1.20 O ATOM 348 C3' DC A 12 -10.064 -3.494 18.769 1.00 1.42 C ATOM 349 O3' DC A 12 -11.252 -3.366 19.556 1.00 1.58 O ATOM 350 C2' DC A 12 -9.632 -4.951 18.703 1.00 1.43 C ATOM 351 C1' DC A 12 -9.056 -5.112 17.292 1.00 1.27 C ATOM 352 N1 DC A 12 -7.593 -5.263 17.224 1.00 1.15 N ATOM 353 C2 DC A 12 -7.063 -6.420 16.649 1.00 1.12 C ATOM 354 O2 DC A 12 -7.839 -7.289 16.229 1.00 1.18 O ATOM 355 N3 DC A 12 -5.720 -6.562 16.565 1.00 1.05 N ATOM 356 C4 DC A 12 -4.919 -5.605 17.036 1.00 1.00 C ATOM 357 N4 DC A 12 -3.602 -5.786 16.934 1.00 0.96 N ATOM 358 C5 DC A 12 -5.432 -4.418 17.633 1.00 1.03 C ATOM 359 C6 DC A 12 -6.764 -4.290 17.703 1.00 1.10 C ATOM 0 H5' DC A 12 -10.120 -1.629 15.820 1.00 1.25 H new ATOM 0 H5'' DC A 12 -11.070 -1.141 17.210 1.00 1.25 H new ATOM 0 H4' DC A 12 -11.400 -3.368 17.114 1.00 1.31 H new ATOM 0 H3' DC A 12 -9.323 -2.838 19.225 1.00 1.42 H new ATOM 0 H2' DC A 12 -8.887 -5.180 19.465 1.00 1.43 H new ATOM 0 H2'' DC A 12 -10.474 -5.623 18.868 1.00 1.43 H new ATOM 0 HO3' DC A 12 -11.051 -3.587 20.489 1.00 1.58 H new ATOM 0 H1' DC A 12 -9.475 -6.035 16.891 1.00 1.27 H new ATOM 0 H41 DC A 12 -2.961 -5.074 17.284 1.00 0.96 H new ATOM 0 H42 DC A 12 -3.236 -6.636 16.506 1.00 0.96 H new ATOM 0 H5 DC A 12 -4.774 -3.651 18.014 1.00 1.03 H new ATOM 0 H6 DC A 12 -7.189 -3.402 18.146 1.00 1.10 H new TER 372 DC A 12 ATOM 373 O5' DG B 13 -0.954 -15.680 13.339 1.00 1.84 O ATOM 374 C5' DG B 13 -2.181 -16.415 13.388 1.00 1.87 C ATOM 375 C4' DG B 13 -3.345 -15.574 12.917 1.00 1.58 C ATOM 376 O4' DG B 13 -3.571 -14.513 13.868 1.00 1.49 O ATOM 377 C3' DG B 13 -3.142 -14.875 11.575 1.00 1.32 C ATOM 378 O3' DG B 13 -3.674 -15.682 10.517 1.00 1.23 O ATOM 379 C2' DG B 13 -3.939 -13.587 11.712 1.00 1.18 C ATOM 380 C1' DG B 13 -4.119 -13.380 13.213 1.00 1.27 C ATOM 381 N9 DG B 13 -3.454 -12.196 13.747 1.00 1.18 N ATOM 382 C8 DG B 13 -2.103 -11.972 13.840 1.00 1.18 C ATOM 383 N7 DG B 13 -1.808 -10.819 14.378 1.00 1.11 N ATOM 384 C5 DG B 13 -3.043 -10.248 14.656 1.00 1.07 C ATOM 385 C6 DG B 13 -3.369 -8.999 15.250 1.00 1.02 C ATOM 386 O6 DG B 13 -2.606 -8.114 15.655 1.00 0.98 O ATOM 387 N1 DG B 13 -4.746 -8.824 15.350 1.00 1.04 N ATOM 388 C2 DG B 13 -5.687 -9.728 14.925 1.00 1.10 C ATOM 389 N2 DG B 13 -6.965 -9.378 15.098 1.00 1.15 N ATOM 390 N3 DG B 13 -5.399 -10.890 14.368 1.00 1.14 N ATOM 391 C4 DG B 13 -4.068 -11.085 14.269 1.00 1.12 C ATOM 0 H5' DG B 13 -2.364 -16.754 14.408 1.00 1.87 H new ATOM 0 H5'' DG B 13 -2.098 -17.306 12.766 1.00 1.87 H new ATOM 0 H4' DG B 13 -4.171 -16.278 12.815 1.00 1.58 H new ATOM 0 H3' DG B 13 -2.093 -14.697 11.339 1.00 1.32 H new ATOM 0 H2' DG B 13 -3.410 -12.748 11.260 1.00 1.18 H new ATOM 0 H2'' DG B 13 -4.902 -13.665 11.208 1.00 1.18 H new ATOM 0 HO5' DG B 13 -0.219 -16.249 13.651 1.00 1.84 H new ATOM 0 H1' DG B 13 -5.186 -13.243 13.387 1.00 1.27 H new ATOM 0 H8 DG B 13 -1.359 -12.678 13.502 1.00 1.18 H new ATOM 0 H1 DG B 13 -5.081 -7.958 15.771 1.00 1.04 H new ATOM 0 H21 DG B 13 -7.711 -10.008 14.802 1.00 1.15 H new ATOM 0 H22 DG B 13 -7.195 -8.481 15.526 1.00 1.15 H new ATOM 404 P DG B 14 -3.259 -15.383 8.992 1.00 1.11 P ATOM 405 OP1 DG B 14 -3.519 -16.608 8.194 1.00 1.21 O ATOM 406 OP2 DG B 14 -1.898 -14.789 9.002 1.00 1.27 O ATOM 407 O5' DG B 14 -4.283 -14.256 8.520 1.00 0.86 O ATOM 408 C5' DG B 14 -5.669 -14.326 8.863 1.00 0.85 C ATOM 409 C4' DG B 14 -6.321 -12.972 8.688 1.00 0.76 C ATOM 410 O4' DG B 14 -5.785 -12.057 9.680 1.00 0.73 O ATOM 411 C3' DG B 14 -6.076 -12.281 7.343 1.00 0.71 C ATOM 412 O3' DG B 14 -7.208 -11.463 7.014 1.00 0.65 O ATOM 413 C2' DG B 14 -4.848 -11.447 7.637 1.00 0.68 C ATOM 414 C1' DG B 14 -5.215 -10.941 9.010 1.00 0.65 C ATOM 415 N9 DG B 14 -4.078 -10.463 9.783 1.00 0.65 N ATOM 416 C8 DG B 14 -2.859 -11.072 9.900 1.00 0.72 C ATOM 417 N7 DG B 14 -2.021 -10.412 10.652 1.00 0.70 N ATOM 418 C5 DG B 14 -2.738 -9.292 11.055 1.00 0.60 C ATOM 419 C6 DG B 14 -2.360 -8.203 11.882 1.00 0.54 C ATOM 420 O6 DG B 14 -1.280 -8.001 12.448 1.00 0.56 O ATOM 421 N1 DG B 14 -3.396 -7.286 12.023 1.00 0.47 N ATOM 422 C2 DG B 14 -4.637 -7.404 11.447 1.00 0.47 C ATOM 423 N2 DG B 14 -5.507 -6.423 11.698 1.00 0.46 N ATOM 424 N3 DG B 14 -5.002 -8.412 10.679 1.00 0.52 N ATOM 425 C4 DG B 14 -4.011 -9.312 10.526 1.00 0.57 C ATOM 0 H5' DG B 14 -5.779 -14.660 9.895 1.00 0.85 H new ATOM 0 H5'' DG B 14 -6.170 -15.063 8.235 1.00 0.85 H new ATOM 0 H4' DG B 14 -7.388 -13.179 8.776 1.00 0.76 H new ATOM 0 H3' DG B 14 -5.938 -12.954 6.497 1.00 0.71 H new ATOM 0 H2' DG B 14 -3.931 -12.037 7.639 1.00 0.68 H new ATOM 0 H2'' DG B 14 -4.707 -10.641 6.917 1.00 0.68 H new ATOM 0 H1' DG B 14 -5.886 -10.088 8.910 1.00 0.65 H new ATOM 0 H8 DG B 14 -2.614 -12.007 9.418 1.00 0.72 H new ATOM 0 H1 DG B 14 -3.221 -6.462 12.599 1.00 0.47 H new ATOM 0 H21 DG B 14 -6.444 -6.457 11.297 1.00 0.46 H new ATOM 0 H22 DG B 14 -5.235 -5.639 12.291 1.00 0.46 H new ATOM 437 P DA B 15 -7.218 -10.607 5.653 1.00 0.64 P ATOM 438 OP1 DA B 15 -8.434 -11.004 4.898 1.00 0.71 O ATOM 439 OP2 DA B 15 -5.887 -10.707 5.000 1.00 0.65 O ATOM 440 O5' DA B 15 -7.420 -9.106 6.149 1.00 0.57 O ATOM 441 C5' DA B 15 -8.351 -8.793 7.190 1.00 0.56 C ATOM 442 C4' DA B 15 -8.812 -7.356 7.067 1.00 0.52 C ATOM 443 O4' DA B 15 -7.988 -6.528 7.920 1.00 0.49 O ATOM 444 C3' DA B 15 -8.678 -6.735 5.681 1.00 0.52 C ATOM 445 O3' DA B 15 -9.598 -5.645 5.536 1.00 0.53 O ATOM 446 C2' DA B 15 -7.245 -6.232 5.686 1.00 0.49 C ATOM 447 C1' DA B 15 -7.032 -5.816 7.139 1.00 0.46 C ATOM 448 N9 DA B 15 -5.706 -6.143 7.658 1.00 0.44 N ATOM 449 C8 DA B 15 -5.042 -7.330 7.497 1.00 0.47 C ATOM 450 N7 DA B 15 -3.875 -7.370 8.095 1.00 0.46 N ATOM 451 C5 DA B 15 -3.759 -6.116 8.681 1.00 0.40 C ATOM 452 C6 DA B 15 -2.752 -5.527 9.467 1.00 0.37 C ATOM 453 N6 DA B 15 -1.632 -6.153 9.832 1.00 0.40 N ATOM 454 N1 DA B 15 -2.942 -4.259 9.884 1.00 0.33 N ATOM 455 C2 DA B 15 -4.073 -3.633 9.537 1.00 0.34 C ATOM 456 N3 DA B 15 -5.101 -4.084 8.819 1.00 0.37 N ATOM 457 C4 DA B 15 -4.877 -5.347 8.414 1.00 0.39 C ATOM 0 H5' DA B 15 -7.886 -8.951 8.163 1.00 0.56 H new ATOM 0 H5'' DA B 15 -9.209 -9.463 7.134 1.00 0.56 H new ATOM 0 H4' DA B 15 -9.870 -7.390 7.329 1.00 0.52 H new ATOM 0 H3' DA B 15 -8.893 -7.424 4.864 1.00 0.52 H new ATOM 0 H2' DA B 15 -6.544 -7.009 5.382 1.00 0.49 H new ATOM 0 H2'' DA B 15 -7.109 -5.394 5.002 1.00 0.49 H new ATOM 0 H1' DA B 15 -7.138 -4.732 7.192 1.00 0.46 H new ATOM 0 H8 DA B 15 -5.442 -8.157 6.930 1.00 0.47 H new ATOM 0 H61 DA B 15 -0.940 -5.668 10.404 1.00 0.40 H new ATOM 0 H62 DA B 15 -1.468 -7.116 9.539 1.00 0.40 H new ATOM 0 H2 DA B 15 -4.166 -2.616 9.890 1.00 0.34 H new ATOM 469 P DG B 16 -9.467 -4.643 4.283 1.00 0.56 P ATOM 470 OP1 DG B 16 -10.830 -4.169 3.932 1.00 0.63 O ATOM 471 OP2 DG B 16 -8.635 -5.306 3.246 1.00 0.57 O ATOM 472 O5' DG B 16 -8.646 -3.405 4.861 1.00 0.51 O ATOM 473 C5' DG B 16 -9.263 -2.466 5.743 1.00 0.53 C ATOM 474 C4' DG B 16 -8.290 -1.370 6.113 1.00 0.49 C ATOM 475 O4' DG B 16 -7.063 -1.969 6.595 1.00 0.46 O ATOM 476 C3' DG B 16 -7.885 -0.434 4.965 1.00 0.48 C ATOM 477 O3' DG B 16 -8.143 0.927 5.344 1.00 0.50 O ATOM 478 C2' DG B 16 -6.389 -0.679 4.796 1.00 0.45 C ATOM 479 C1' DG B 16 -5.986 -1.168 6.167 1.00 0.43 C ATOM 480 N9 DG B 16 -4.771 -1.975 6.207 1.00 0.42 N ATOM 481 C8 DG B 16 -4.525 -3.145 5.532 1.00 0.43 C ATOM 482 N7 DG B 16 -3.348 -3.646 5.781 1.00 0.42 N ATOM 483 C5 DG B 16 -2.774 -2.745 6.666 1.00 0.40 C ATOM 484 C6 DG B 16 -1.499 -2.750 7.280 1.00 0.39 C ATOM 485 O6 DG B 16 -0.594 -3.582 7.164 1.00 0.41 O ATOM 486 N1 DG B 16 -1.323 -1.643 8.102 1.00 0.38 N ATOM 487 C2 DG B 16 -2.255 -0.657 8.307 1.00 0.38 C ATOM 488 N2 DG B 16 -1.896 0.330 9.136 1.00 0.39 N ATOM 489 N3 DG B 16 -3.448 -0.640 7.742 1.00 0.39 N ATOM 490 C4 DG B 16 -3.639 -1.706 6.938 1.00 0.40 C ATOM 0 H5' DG B 16 -9.606 -2.975 6.644 1.00 0.53 H new ATOM 0 H5'' DG B 16 -10.143 -2.034 5.266 1.00 0.53 H new ATOM 0 H4' DG B 16 -8.817 -0.773 6.857 1.00 0.49 H new ATOM 0 H3' DG B 16 -8.436 -0.616 4.042 1.00 0.48 H new ATOM 0 H2' DG B 16 -6.183 -1.420 4.023 1.00 0.45 H new ATOM 0 H2'' DG B 16 -5.857 0.230 4.516 1.00 0.45 H new ATOM 0 H1' DG B 16 -5.770 -0.302 6.793 1.00 0.43 H new ATOM 0 H8 DG B 16 -5.236 -3.604 4.861 1.00 0.43 H new ATOM 0 H1 DG B 16 -0.432 -1.557 8.591 1.00 0.38 H new ATOM 0 H21 DG B 16 -2.544 1.094 9.330 1.00 0.39 H new ATOM 0 H22 DG B 16 -0.975 0.319 9.573 1.00 0.39 H new ATOM 502 P DG B 17 -7.489 2.137 4.506 1.00 0.51 P ATOM 503 OP1 DG B 17 -8.358 3.330 4.665 1.00 0.58 O ATOM 504 OP2 DG B 17 -7.174 1.637 3.143 1.00 0.49 O ATOM 505 O5' DG B 17 -6.114 2.422 5.261 1.00 0.53 O ATOM 506 C5' DG B 17 -6.060 2.488 6.689 1.00 0.55 C ATOM 507 C4' DG B 17 -5.090 3.558 7.131 1.00 0.53 C ATOM 508 O4' DG B 17 -3.817 2.938 7.430 1.00 0.50 O ATOM 509 C3' DG B 17 -4.807 4.648 6.098 1.00 0.52 C ATOM 510 O3' DG B 17 -4.688 5.922 6.739 1.00 0.55 O ATOM 511 C2' DG B 17 -3.478 4.244 5.479 1.00 0.47 C ATOM 512 C1' DG B 17 -2.812 3.343 6.515 1.00 0.47 C ATOM 513 N9 DG B 17 -2.204 2.134 5.965 1.00 0.44 N ATOM 514 C8 DG B 17 -2.774 1.250 5.083 1.00 0.43 C ATOM 515 N7 DG B 17 -1.990 0.255 4.771 1.00 0.41 N ATOM 516 C5 DG B 17 -0.828 0.495 5.491 1.00 0.41 C ATOM 517 C6 DG B 17 0.382 -0.242 5.552 1.00 0.41 C ATOM 518 O6 DG B 17 0.677 -1.286 4.961 1.00 0.40 O ATOM 519 N1 DG B 17 1.303 0.353 6.407 1.00 0.43 N ATOM 520 C2 DG B 17 1.087 1.510 7.115 1.00 0.44 C ATOM 521 N2 DG B 17 2.088 1.918 7.910 1.00 0.47 N ATOM 522 N3 DG B 17 -0.031 2.216 7.056 1.00 0.45 N ATOM 523 C4 DG B 17 -0.941 1.652 6.233 1.00 0.43 C ATOM 0 H5' DG B 17 -5.755 1.523 7.093 1.00 0.55 H new ATOM 0 H5'' DG B 17 -7.052 2.701 7.087 1.00 0.55 H new ATOM 0 H4' DG B 17 -5.565 4.035 7.988 1.00 0.53 H new ATOM 0 H3' DG B 17 -5.603 4.739 5.359 1.00 0.52 H new ATOM 0 H2' DG B 17 -3.627 3.717 4.536 1.00 0.47 H new ATOM 0 H2'' DG B 17 -2.863 5.117 5.263 1.00 0.47 H new ATOM 0 H1' DG B 17 -2.007 3.921 6.968 1.00 0.47 H new ATOM 0 H8 DG B 17 -3.772 1.367 4.687 1.00 0.43 H new ATOM 0 H1 DG B 17 2.208 -0.105 6.517 1.00 0.43 H new ATOM 0 H21 DG B 17 1.987 2.770 8.461 1.00 0.47 H new ATOM 0 H22 DG B 17 2.950 1.376 7.963 1.00 0.47 H new ATOM 535 P DC B 18 -4.958 7.267 5.900 1.00 0.52 P ATOM 536 OP1 DC B 18 -5.470 8.281 6.856 1.00 0.57 O ATOM 537 OP2 DC B 18 -5.757 6.931 4.693 1.00 0.52 O ATOM 538 O5' DC B 18 -3.507 7.725 5.428 1.00 0.48 O ATOM 539 C5' DC B 18 -2.501 8.068 6.382 1.00 0.50 C ATOM 540 C4' DC B 18 -1.130 7.745 5.837 1.00 0.45 C ATOM 541 O4' DC B 18 -1.106 6.362 5.433 1.00 0.43 O ATOM 542 C3' DC B 18 -0.717 8.540 4.597 1.00 0.44 C ATOM 543 O3' DC B 18 0.197 9.582 4.960 1.00 0.44 O ATOM 544 C2' DC B 18 -0.023 7.519 3.704 1.00 0.49 C ATOM 545 C1' DC B 18 -0.088 6.208 4.471 1.00 0.43 C ATOM 546 N1 DC B 18 -0.416 5.036 3.646 1.00 0.42 N ATOM 547 C2 DC B 18 0.554 4.054 3.464 1.00 0.40 C ATOM 548 O2 DC B 18 1.654 4.198 4.007 1.00 0.40 O ATOM 549 N3 DC B 18 0.271 2.973 2.704 1.00 0.39 N ATOM 550 C4 DC B 18 -0.931 2.856 2.138 1.00 0.41 C ATOM 551 N4 DC B 18 -1.166 1.772 1.397 1.00 0.41 N ATOM 552 C5 DC B 18 -1.944 3.845 2.306 1.00 0.43 C ATOM 553 C6 DC B 18 -1.644 4.909 3.062 1.00 0.44 C ATOM 0 H5' DC B 18 -2.669 7.522 7.310 1.00 0.50 H new ATOM 0 H5'' DC B 18 -2.564 9.130 6.621 1.00 0.50 H new ATOM 0 H4' DC B 18 -0.443 7.995 6.645 1.00 0.45 H new ATOM 0 H3' DC B 18 -1.565 9.016 4.105 1.00 0.44 H new ATOM 0 H2' DC B 18 -0.523 7.436 2.739 1.00 0.49 H new ATOM 0 H2'' DC B 18 1.009 7.808 3.504 1.00 0.49 H new ATOM 0 H1' DC B 18 0.900 6.017 4.890 1.00 0.43 H new ATOM 0 H41 DC B 18 -2.074 1.648 0.948 1.00 0.41 H new ATOM 0 H42 DC B 18 -0.438 1.067 1.279 1.00 0.41 H new ATOM 0 H5 DC B 18 -2.914 3.740 1.842 1.00 0.43 H new ATOM 0 H6 DC B 18 -2.386 5.680 3.212 1.00 0.44 H new ATOM 565 P DC B 19 0.792 10.554 3.824 1.00 0.51 P ATOM 566 OP1 DC B 19 1.509 11.658 4.514 1.00 0.65 O ATOM 567 OP2 DC B 19 -0.296 10.874 2.866 1.00 0.59 O ATOM 568 O5' DC B 19 1.868 9.653 3.068 1.00 0.45 O ATOM 569 C5' DC B 19 3.149 9.392 3.645 1.00 0.64 C ATOM 570 C4' DC B 19 4.114 8.910 2.584 1.00 0.62 C ATOM 571 O4' DC B 19 3.801 7.540 2.235 1.00 0.59 O ATOM 572 C3' DC B 19 4.089 9.705 1.276 1.00 0.60 C ATOM 573 O3' DC B 19 5.410 10.185 0.996 1.00 0.63 O ATOM 574 C2' DC B 19 3.633 8.702 0.225 1.00 0.54 C ATOM 575 C1' DC B 19 3.950 7.358 0.843 1.00 0.55 C ATOM 576 N1 DC B 19 3.071 6.244 0.447 1.00 0.52 N ATOM 577 C2 DC B 19 3.651 5.086 -0.081 1.00 0.52 C ATOM 578 O2 DC B 19 4.878 5.049 -0.243 1.00 0.55 O ATOM 579 N3 DC B 19 2.860 4.038 -0.402 1.00 0.51 N ATOM 580 C4 DC B 19 1.541 4.120 -0.225 1.00 0.49 C ATOM 581 N4 DC B 19 0.802 3.064 -0.565 1.00 0.49 N ATOM 582 C5 DC B 19 0.921 5.290 0.302 1.00 0.48 C ATOM 583 C6 DC B 19 1.716 6.322 0.614 1.00 0.50 C ATOM 0 H5' DC B 19 3.056 8.641 4.430 1.00 0.64 H new ATOM 0 H5'' DC B 19 3.536 10.297 4.114 1.00 0.64 H new ATOM 0 H4' DC B 19 5.101 9.033 3.031 1.00 0.62 H new ATOM 0 H3' DC B 19 3.431 10.573 1.308 1.00 0.60 H new ATOM 0 H2' DC B 19 2.569 8.803 0.012 1.00 0.54 H new ATOM 0 H2'' DC B 19 4.162 8.843 -0.718 1.00 0.54 H new ATOM 0 H1' DC B 19 4.946 7.073 0.506 1.00 0.55 H new ATOM 0 H41 DC B 19 -0.210 3.090 -0.444 1.00 0.49 H new ATOM 0 H42 DC B 19 1.249 2.230 -0.946 1.00 0.49 H new ATOM 0 H5 DC B 19 -0.148 5.343 0.444 1.00 0.48 H new ATOM 0 H6 DC B 19 1.280 7.230 1.004 1.00 0.50 H new ATOM 595 P DT B 20 5.708 10.957 -0.381 1.00 0.64 P ATOM 596 OP1 DT B 20 7.024 11.630 -0.237 1.00 0.71 O ATOM 597 OP2 DT B 20 4.510 11.757 -0.742 1.00 0.62 O ATOM 598 O5' DT B 20 5.863 9.783 -1.446 1.00 0.63 O ATOM 599 C5' DT B 20 6.929 8.832 -1.354 1.00 0.63 C ATOM 600 C4' DT B 20 7.133 8.155 -2.691 1.00 0.58 C ATOM 601 O4' DT B 20 6.248 7.007 -2.789 1.00 0.55 O ATOM 602 C3' DT B 20 6.821 9.017 -3.922 1.00 0.54 C ATOM 603 O3' DT B 20 7.803 8.793 -4.942 1.00 0.53 O ATOM 604 C2' DT B 20 5.466 8.503 -4.367 1.00 0.49 C ATOM 605 C1' DT B 20 5.641 7.031 -4.067 1.00 0.49 C ATOM 606 N1 DT B 20 4.412 6.202 -4.015 1.00 0.46 N ATOM 607 C2 DT B 20 4.552 4.864 -4.313 1.00 0.46 C ATOM 608 O2 DT B 20 5.621 4.357 -4.608 1.00 0.47 O ATOM 609 N3 DT B 20 3.392 4.137 -4.252 1.00 0.45 N ATOM 610 C4 DT B 20 2.136 4.599 -3.930 1.00 0.44 C ATOM 611 O4 DT B 20 1.190 3.818 -3.899 1.00 0.45 O ATOM 612 C5 DT B 20 2.056 6.012 -3.632 1.00 0.45 C ATOM 613 C7 DT B 20 0.720 6.613 -3.331 1.00 0.46 C ATOM 614 C6 DT B 20 3.182 6.738 -3.686 1.00 0.46 C ATOM 0 H5' DT B 20 6.699 8.088 -0.591 1.00 0.63 H new ATOM 0 H5'' DT B 20 7.848 9.331 -1.046 1.00 0.63 H new ATOM 0 H4' DT B 20 8.195 7.909 -2.707 1.00 0.58 H new ATOM 0 H3' DT B 20 6.827 10.087 -3.716 1.00 0.54 H new ATOM 0 H2' DT B 20 4.645 8.949 -3.806 1.00 0.49 H new ATOM 0 H2'' DT B 20 5.272 8.694 -5.422 1.00 0.49 H new ATOM 0 H1' DT B 20 6.211 6.591 -4.885 1.00 0.49 H new ATOM 0 H3 DT B 20 3.468 3.143 -4.469 1.00 0.45 H new ATOM 0 H71 DT B 20 0.845 7.453 -2.648 1.00 0.46 H new ATOM 0 H72 DT B 20 0.261 6.962 -4.256 1.00 0.46 H new ATOM 0 H73 DT B 20 0.079 5.862 -2.869 1.00 0.46 H new ATOM 0 H6 DT B 20 3.125 7.793 -3.461 1.00 0.46 H new ATOM 627 P DG B 21 7.900 9.796 -6.196 1.00 0.53 P ATOM 628 OP1 DG B 21 9.171 10.551 -6.059 1.00 0.64 O ATOM 629 OP2 DG B 21 6.616 10.534 -6.310 1.00 0.54 O ATOM 630 O5' DG B 21 8.027 8.828 -7.456 1.00 0.49 O ATOM 631 C5' DG B 21 9.216 8.069 -7.686 1.00 0.57 C ATOM 632 C4' DG B 21 8.968 7.014 -8.742 1.00 0.60 C ATOM 633 O4' DG B 21 7.831 6.206 -8.347 1.00 0.54 O ATOM 634 C3' DG B 21 8.644 7.553 -10.140 1.00 0.63 C ATOM 635 O3' DG B 21 9.475 6.902 -11.107 1.00 0.74 O ATOM 636 C2' DG B 21 7.178 7.199 -10.348 1.00 0.56 C ATOM 637 C1' DG B 21 6.998 5.981 -9.468 1.00 0.53 C ATOM 638 N9 DG B 21 5.642 5.740 -8.978 1.00 0.47 N ATOM 639 C8 DG B 21 4.743 6.667 -8.508 1.00 0.42 C ATOM 640 N7 DG B 21 3.631 6.137 -8.082 1.00 0.42 N ATOM 641 C5 DG B 21 3.790 4.777 -8.310 1.00 0.44 C ATOM 642 C6 DG B 21 2.905 3.697 -8.069 1.00 0.47 C ATOM 643 O6 DG B 21 1.771 3.724 -7.578 1.00 0.49 O ATOM 644 N1 DG B 21 3.460 2.484 -8.461 1.00 0.51 N ATOM 645 C2 DG B 21 4.703 2.331 -9.022 1.00 0.54 C ATOM 646 N2 DG B 21 5.057 1.080 -9.340 1.00 0.60 N ATOM 647 N3 DG B 21 5.538 3.330 -9.255 1.00 0.53 N ATOM 648 C4 DG B 21 5.021 4.517 -8.877 1.00 0.47 C ATOM 0 H5' DG B 21 9.539 7.596 -6.759 1.00 0.57 H new ATOM 0 H5'' DG B 21 10.022 8.730 -8.005 1.00 0.57 H new ATOM 0 H4' DG B 21 9.905 6.461 -8.808 1.00 0.60 H new ATOM 0 H3' DG B 21 8.820 8.624 -10.243 1.00 0.63 H new ATOM 0 H2' DG B 21 6.519 8.014 -10.050 1.00 0.56 H new ATOM 0 H2'' DG B 21 6.960 6.979 -11.393 1.00 0.56 H new ATOM 0 H1' DG B 21 7.239 5.103 -10.068 1.00 0.53 H new ATOM 0 H8 DG B 21 4.938 7.729 -8.493 1.00 0.42 H new ATOM 0 H1 DG B 21 2.900 1.643 -8.321 1.00 0.51 H new ATOM 0 H21 DG B 21 5.969 0.899 -9.760 1.00 0.60 H new ATOM 0 H22 DG B 21 4.415 0.308 -9.162 1.00 0.60 H new ATOM 660 P DA B 22 9.347 7.282 -12.665 1.00 0.87 P ATOM 661 OP1 DA B 22 10.714 7.596 -13.152 1.00 1.02 O ATOM 662 OP2 DA B 22 8.262 8.282 -12.834 1.00 0.88 O ATOM 663 O5' DA B 22 8.882 5.920 -13.347 1.00 0.89 O ATOM 664 C5' DA B 22 9.201 4.657 -12.758 1.00 0.86 C ATOM 665 C4' DA B 22 8.439 3.549 -13.447 1.00 0.87 C ATOM 666 O4' DA B 22 7.224 3.281 -12.703 1.00 0.81 O ATOM 667 C3' DA B 22 7.996 3.861 -14.878 1.00 0.95 C ATOM 668 O3' DA B 22 8.123 2.691 -15.696 1.00 1.06 O ATOM 669 C2' DA B 22 6.540 4.261 -14.712 1.00 0.84 C ATOM 670 C1' DA B 22 6.103 3.379 -13.565 1.00 0.75 C ATOM 671 N9 DA B 22 4.981 3.910 -12.793 1.00 0.63 N ATOM 672 C8 DA B 22 4.810 5.201 -12.370 1.00 0.59 C ATOM 673 N7 DA B 22 3.707 5.392 -11.687 1.00 0.49 N ATOM 674 C5 DA B 22 3.108 4.141 -11.667 1.00 0.46 C ATOM 675 C6 DA B 22 1.902 3.677 -11.113 1.00 0.41 C ATOM 676 N6 DA B 22 1.045 4.452 -10.447 1.00 0.38 N ATOM 677 N1 DA B 22 1.598 2.372 -11.275 1.00 0.45 N ATOM 678 C2 DA B 22 2.453 1.594 -11.951 1.00 0.51 C ATOM 679 N3 DA B 22 3.607 1.915 -12.530 1.00 0.57 N ATOM 680 C4 DA B 22 3.881 3.218 -12.347 1.00 0.55 C ATOM 0 H5' DA B 22 8.955 4.671 -11.696 1.00 0.86 H new ATOM 0 H5'' DA B 22 10.273 4.473 -12.835 1.00 0.86 H new ATOM 0 H4' DA B 22 9.134 2.710 -13.485 1.00 0.87 H new ATOM 0 H3' DA B 22 8.590 4.636 -15.363 1.00 0.95 H new ATOM 0 H2' DA B 22 6.432 5.320 -14.477 1.00 0.84 H new ATOM 0 H2'' DA B 22 5.959 4.074 -15.615 1.00 0.84 H new ATOM 0 H1' DA B 22 5.764 2.427 -13.974 1.00 0.75 H new ATOM 0 H8 DA B 22 5.518 5.989 -12.580 1.00 0.59 H new ATOM 0 H61 DA B 22 0.185 4.054 -10.069 1.00 0.38 H new ATOM 0 H62 DA B 22 1.249 5.443 -10.316 1.00 0.38 H new ATOM 0 H2 DA B 22 2.164 0.557 -12.039 1.00 0.51 H new ATOM 692 P DG B 23 7.738 2.761 -17.254 1.00 1.18 P ATOM 693 OP1 DG B 23 8.282 1.539 -17.900 1.00 1.32 O ATOM 694 OP2 DG B 23 8.122 4.098 -17.776 1.00 1.32 O ATOM 695 O5' DG B 23 6.149 2.662 -17.260 1.00 0.99 O ATOM 696 C5' DG B 23 5.482 1.479 -16.815 1.00 0.86 C ATOM 697 C4' DG B 23 4.038 1.498 -17.260 1.00 0.75 C ATOM 698 O4' DG B 23 3.229 2.037 -16.188 1.00 0.64 O ATOM 699 C3' DG B 23 3.757 2.369 -18.491 1.00 0.85 C ATOM 700 O3' DG B 23 3.162 1.586 -19.531 1.00 0.91 O ATOM 701 C2' DG B 23 2.775 3.419 -17.996 1.00 0.80 C ATOM 702 C1' DG B 23 2.183 2.786 -16.759 1.00 0.66 C ATOM 703 N9 DG B 23 1.704 3.743 -15.768 1.00 0.59 N ATOM 704 C8 DG B 23 2.276 4.948 -15.449 1.00 0.61 C ATOM 705 N7 DG B 23 1.610 5.612 -14.544 1.00 0.55 N ATOM 706 C5 DG B 23 0.531 4.790 -14.245 1.00 0.51 C ATOM 707 C6 DG B 23 -0.545 4.976 -13.338 1.00 0.49 C ATOM 708 O6 DG B 23 -0.766 5.935 -12.589 1.00 0.49 O ATOM 709 N1 DG B 23 -1.420 3.895 -13.353 1.00 0.51 N ATOM 710 C2 DG B 23 -1.274 2.774 -14.134 1.00 0.52 C ATOM 711 N2 DG B 23 -2.214 1.835 -14.008 1.00 0.56 N ATOM 712 N3 DG B 23 -0.276 2.587 -14.979 1.00 0.53 N ATOM 713 C4 DG B 23 0.581 3.628 -14.986 1.00 0.53 C ATOM 0 H5' DG B 23 5.535 1.409 -15.729 1.00 0.86 H new ATOM 0 H5'' DG B 23 5.982 0.597 -17.216 1.00 0.86 H new ATOM 0 H4' DG B 23 3.801 0.466 -17.519 1.00 0.75 H new ATOM 0 H3' DG B 23 4.665 2.807 -18.906 1.00 0.85 H new ATOM 0 H2' DG B 23 3.274 4.360 -17.766 1.00 0.80 H new ATOM 0 H2'' DG B 23 2.010 3.638 -18.741 1.00 0.80 H new ATOM 0 H1' DG B 23 1.311 2.199 -17.047 1.00 0.66 H new ATOM 0 H8 DG B 23 3.187 5.311 -15.902 1.00 0.61 H new ATOM 0 H1 DG B 23 -2.232 3.938 -12.737 1.00 0.51 H new ATOM 0 H21 DG B 23 -2.159 0.980 -14.562 1.00 0.56 H new ATOM 0 H22 DG B 23 -2.988 1.972 -13.357 1.00 0.56 H new ATOM 725 P DG B 24 3.090 2.170 -21.029 1.00 1.06 P ATOM 726 OP1 DG B 24 3.850 1.256 -21.919 1.00 1.15 O ATOM 727 OP2 DG B 24 3.452 3.610 -20.976 1.00 1.15 O ATOM 728 O5' DG B 24 1.546 2.068 -21.409 1.00 1.07 O ATOM 729 C5' DG B 24 0.844 0.828 -21.308 1.00 1.04 C ATOM 730 C4' DG B 24 -0.641 1.076 -21.179 1.00 1.08 C ATOM 731 O4' DG B 24 -0.870 1.942 -20.041 1.00 0.99 O ATOM 732 C3' DG B 24 -1.292 1.767 -22.383 1.00 1.26 C ATOM 733 O3' DG B 24 -2.448 1.041 -22.806 1.00 1.35 O ATOM 734 C2' DG B 24 -1.701 3.136 -21.857 1.00 1.25 C ATOM 735 C1' DG B 24 -1.859 2.891 -20.372 1.00 1.08 C ATOM 736 N9 DG B 24 -1.664 4.061 -19.521 1.00 1.03 N ATOM 737 C8 DG B 24 -0.609 4.942 -19.537 1.00 1.06 C ATOM 738 N7 DG B 24 -0.720 5.895 -18.654 1.00 1.04 N ATOM 739 C5 DG B 24 -1.921 5.627 -18.011 1.00 0.99 C ATOM 740 C6 DG B 24 -2.573 6.316 -16.956 1.00 0.96 C ATOM 741 O6 DG B 24 -2.208 7.336 -16.360 1.00 0.98 O ATOM 742 N1 DG B 24 -3.771 5.701 -16.606 1.00 0.95 N ATOM 743 C2 DG B 24 -4.276 4.569 -17.195 1.00 0.97 C ATOM 744 N2 DG B 24 -5.444 4.126 -16.717 1.00 1.00 N ATOM 745 N3 DG B 24 -3.680 3.918 -18.179 1.00 0.99 N ATOM 746 C4 DG B 24 -2.515 4.498 -18.534 1.00 0.99 C ATOM 0 H5' DG B 24 1.203 0.268 -20.444 1.00 1.04 H new ATOM 0 H5'' DG B 24 1.043 0.217 -22.188 1.00 1.04 H new ATOM 0 H4' DG B 24 -1.088 0.087 -21.084 1.00 1.08 H new ATOM 0 H3' DG B 24 -0.621 1.828 -23.240 1.00 1.26 H new ATOM 0 H2' DG B 24 -0.943 3.892 -22.064 1.00 1.25 H new ATOM 0 H2'' DG B 24 -2.629 3.483 -22.311 1.00 1.25 H new ATOM 0 HO3' DG B 24 -2.855 1.493 -23.574 1.00 1.35 H new ATOM 0 H1' DG B 24 -2.886 2.573 -20.193 1.00 1.08 H new ATOM 0 H8 DG B 24 0.228 4.854 -20.213 1.00 1.06 H new ATOM 0 H1 DG B 24 -4.315 6.124 -15.854 1.00 0.95 H new ATOM 0 H21 DG B 24 -5.872 3.289 -17.112 1.00 1.00 H new ATOM 0 H22 DG B 24 -5.906 4.625 -15.957 1.00 1.00 H new TER 759 DG B 24 HETATM 760 PT1 CPT A 77 2.845 -2.478 -0.354 1.00 0.48 PT HETATM 761 N1 CPT A 77 1.729 -3.306 -1.831 1.00 0.63 N HETATM 762 N2 CPT A 77 1.580 -3.287 1.008 1.00 0.48 N