USER MOD reduce.3.24.130724 H: found=0, std=0, add=249, rem=0, adj=2 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 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT O5' : rot -79:sc= 1.21 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 -42:sc= 0.0117 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 4 6.324 -9.530 -11.903 1.00 1.20 O ATOM 2 C5' DT A 4 6.675 -10.457 -10.873 1.00 0.78 C ATOM 3 C4' DT A 4 8.166 -10.475 -10.626 1.00 0.51 C ATOM 4 O4' DT A 4 8.420 -11.014 -9.303 1.00 0.54 O ATOM 5 C3' DT A 4 8.969 -11.345 -11.597 1.00 0.53 C ATOM 6 O3' DT A 4 10.229 -10.731 -11.889 1.00 0.75 O ATOM 7 C2' DT A 4 9.170 -12.639 -10.829 1.00 0.54 C ATOM 8 C1' DT A 4 9.257 -12.157 -9.392 1.00 0.50 C ATOM 9 N1 DT A 4 8.797 -13.138 -8.389 1.00 0.61 N ATOM 10 C2 DT A 4 7.464 -13.489 -8.382 1.00 0.94 C ATOM 11 O2 DT A 4 6.648 -13.029 -9.164 1.00 1.17 O ATOM 12 N3 DT A 4 7.118 -14.403 -7.419 1.00 1.10 N ATOM 13 C4 DT A 4 7.951 -14.986 -6.486 1.00 0.97 C ATOM 14 O4 DT A 4 7.495 -15.794 -5.681 1.00 1.16 O ATOM 15 C5 DT A 4 9.335 -14.574 -6.550 1.00 0.75 C ATOM 16 C7 DT A 4 10.309 -15.156 -5.574 1.00 0.91 C ATOM 17 C6 DT A 4 9.689 -13.681 -7.486 1.00 0.62 C ATOM 0 H5' DT A 4 6.340 -11.456 -11.152 1.00 0.78 H new ATOM 0 H5'' DT A 4 6.156 -10.192 -9.952 1.00 0.78 H new ATOM 0 H4' DT A 4 8.486 -9.441 -10.753 1.00 0.51 H new ATOM 0 H3' DT A 4 8.470 -11.493 -12.555 1.00 0.53 H new ATOM 0 H2' DT A 4 8.341 -13.331 -10.976 1.00 0.54 H new ATOM 0 H2'' DT A 4 10.077 -13.158 -11.139 1.00 0.54 H new ATOM 0 HO5' DT A 4 6.322 -8.621 -11.538 1.00 1.20 H new ATOM 0 H1' DT A 4 10.306 -11.964 -9.168 1.00 0.50 H new ATOM 0 H3 DT A 4 6.137 -14.682 -7.389 1.00 1.10 H new ATOM 0 H71 DT A 4 11.298 -15.200 -6.030 1.00 0.91 H new ATOM 0 H72 DT A 4 10.348 -14.531 -4.682 1.00 0.91 H new ATOM 0 H73 DT A 4 9.991 -16.162 -5.299 1.00 0.91 H new ATOM 0 H6 DT A 4 10.723 -13.372 -7.536 1.00 0.62 H new ATOM 31 P DG A 5 10.632 -10.420 -13.414 1.00 1.25 P ATOM 32 OP1 DG A 5 9.498 -9.688 -14.033 1.00 2.49 O ATOM 33 OP2 DG A 5 11.118 -11.679 -14.034 1.00 1.90 O ATOM 34 O5' DG A 5 11.864 -9.416 -13.290 1.00 0.92 O ATOM 35 C5' DG A 5 11.666 -8.002 -13.307 1.00 0.64 C ATOM 36 C4' DG A 5 12.985 -7.290 -13.119 1.00 0.56 C ATOM 37 O4' DG A 5 13.639 -7.809 -11.933 1.00 0.59 O ATOM 38 C3' DG A 5 13.985 -7.475 -14.262 1.00 0.55 C ATOM 39 O3' DG A 5 14.761 -6.285 -14.443 1.00 0.68 O ATOM 40 C2' DG A 5 14.860 -8.615 -13.777 1.00 0.44 C ATOM 41 C1' DG A 5 14.891 -8.386 -12.276 1.00 0.45 C ATOM 42 N9 DG A 5 15.060 -9.603 -11.484 1.00 0.38 N ATOM 43 C8 DG A 5 14.068 -10.410 -10.981 1.00 0.44 C ATOM 44 N7 DG A 5 14.525 -11.431 -10.311 1.00 0.51 N ATOM 45 C5 DG A 5 15.905 -11.291 -10.373 1.00 0.45 C ATOM 46 C6 DG A 5 16.935 -12.100 -9.827 1.00 0.57 C ATOM 47 O6 DG A 5 16.826 -13.136 -9.159 1.00 0.73 O ATOM 48 N1 DG A 5 18.201 -11.601 -10.125 1.00 0.60 N ATOM 49 C2 DG A 5 18.434 -10.461 -10.859 1.00 0.58 C ATOM 50 N2 DG A 5 19.722 -10.133 -11.044 1.00 0.75 N ATOM 51 N3 DG A 5 17.483 -9.698 -11.372 1.00 0.50 N ATOM 52 C4 DG A 5 16.251 -10.169 -11.092 1.00 0.40 C ATOM 0 H5' DG A 5 10.973 -7.715 -12.516 1.00 0.64 H new ATOM 0 H5'' DG A 5 11.213 -7.702 -14.252 1.00 0.64 H new ATOM 0 H4' DG A 5 12.727 -6.233 -13.059 1.00 0.56 H new ATOM 0 H3' DG A 5 13.510 -7.679 -15.222 1.00 0.55 H new ATOM 0 H2' DG A 5 14.438 -9.587 -14.031 1.00 0.44 H new ATOM 0 H2'' DG A 5 15.858 -8.576 -14.215 1.00 0.44 H new ATOM 0 H1' DG A 5 15.751 -7.755 -12.052 1.00 0.45 H new ATOM 0 H8 DG A 5 13.015 -10.218 -11.126 1.00 0.44 H new ATOM 0 H1 DG A 5 19.010 -12.115 -9.776 1.00 0.60 H new ATOM 0 H21 DG A 5 19.964 -9.299 -11.579 1.00 0.75 H new ATOM 0 H22 DG A 5 20.459 -10.718 -10.649 1.00 0.75 H new ATOM 64 P DA A 6 14.400 -5.265 -15.633 1.00 0.86 P ATOM 65 OP1 DA A 6 14.172 -6.073 -16.858 1.00 1.14 O ATOM 66 OP2 DA A 6 15.420 -4.185 -15.646 1.00 1.15 O ATOM 67 O5' DA A 6 13.006 -4.633 -15.190 1.00 0.65 O ATOM 68 C5' DA A 6 12.947 -3.601 -14.205 1.00 0.50 C ATOM 69 C4' DA A 6 11.543 -3.047 -14.115 1.00 0.33 C ATOM 70 O4' DA A 6 10.620 -4.124 -13.852 1.00 0.40 O ATOM 71 C3' DA A 6 11.315 -2.055 -12.984 1.00 0.56 C ATOM 72 O3' DA A 6 11.630 -0.726 -13.417 1.00 0.88 O ATOM 73 C2' DA A 6 9.828 -2.195 -12.705 1.00 0.45 C ATOM 74 C1' DA A 6 9.524 -3.645 -13.079 1.00 0.33 C ATOM 75 N9 DA A 6 9.359 -4.541 -11.933 1.00 0.39 N ATOM 76 C8 DA A 6 10.272 -4.822 -10.947 1.00 0.55 C ATOM 77 N7 DA A 6 9.835 -5.670 -10.048 1.00 0.62 N ATOM 78 C5 DA A 6 8.547 -5.967 -10.468 1.00 0.51 C ATOM 79 C6 DA A 6 7.550 -6.808 -9.942 1.00 0.59 C ATOM 80 N6 DA A 6 7.703 -7.533 -8.831 1.00 0.74 N ATOM 81 N1 DA A 6 6.375 -6.879 -10.604 1.00 0.60 N ATOM 82 C2 DA A 6 6.221 -6.152 -11.718 1.00 0.55 C ATOM 83 N3 DA A 6 7.082 -5.328 -12.310 1.00 0.45 N ATOM 84 C4 DA A 6 8.239 -5.279 -11.628 1.00 0.40 C ATOM 0 H5' DA A 6 13.645 -2.804 -14.460 1.00 0.50 H new ATOM 0 H5'' DA A 6 13.254 -3.995 -13.236 1.00 0.50 H new ATOM 0 H4' DA A 6 11.390 -2.540 -15.068 1.00 0.33 H new ATOM 0 H3' DA A 6 11.935 -2.242 -12.107 1.00 0.56 H new ATOM 0 H2' DA A 6 9.596 -1.994 -11.659 1.00 0.45 H new ATOM 0 H2'' DA A 6 9.241 -1.496 -13.301 1.00 0.45 H new ATOM 0 H1' DA A 6 8.576 -3.646 -13.616 1.00 0.33 H new ATOM 0 H8 DA A 6 11.259 -4.385 -10.915 1.00 0.55 H new ATOM 0 H61 DA A 6 6.941 -8.125 -8.499 1.00 0.74 H new ATOM 0 H62 DA A 6 8.581 -7.495 -8.314 1.00 0.74 H new ATOM 0 H2 DA A 6 5.262 -6.248 -12.205 1.00 0.55 H new ATOM 96 P DG A 7 11.265 0.532 -12.484 1.00 1.20 P ATOM 97 OP1 DG A 7 12.227 1.617 -12.805 1.00 1.86 O ATOM 98 OP2 DG A 7 11.137 0.055 -11.083 1.00 1.48 O ATOM 99 O5' DG A 7 9.824 0.982 -12.994 1.00 1.02 O ATOM 100 C5' DG A 7 9.110 2.035 -12.347 1.00 0.79 C ATOM 101 C4' DG A 7 7.622 1.835 -12.517 1.00 0.66 C ATOM 102 O4' DG A 7 7.274 0.493 -12.093 1.00 0.55 O ATOM 103 C3' DG A 7 6.747 2.772 -11.684 1.00 0.66 C ATOM 104 O3' DG A 7 5.527 3.062 -12.377 1.00 0.71 O ATOM 105 C2' DG A 7 6.473 1.963 -10.432 1.00 0.57 C ATOM 106 C1' DG A 7 6.409 0.542 -10.966 1.00 0.49 C ATOM 107 N9 DG A 7 6.849 -0.477 -10.016 1.00 0.40 N ATOM 108 C8 DG A 7 8.125 -0.683 -9.554 1.00 0.42 C ATOM 109 N7 DG A 7 8.213 -1.668 -8.702 1.00 0.43 N ATOM 110 C5 DG A 7 6.912 -2.142 -8.595 1.00 0.37 C ATOM 111 C6 DG A 7 6.384 -3.203 -7.816 1.00 0.38 C ATOM 112 O6 DG A 7 6.984 -3.955 -7.041 1.00 0.47 O ATOM 113 N1 DG A 7 5.011 -3.352 -8.001 1.00 0.35 N ATOM 114 C2 DG A 7 4.250 -2.566 -8.837 1.00 0.37 C ATOM 115 N2 DG A 7 2.939 -2.852 -8.890 1.00 0.44 N ATOM 116 N3 DG A 7 4.732 -1.574 -9.568 1.00 0.39 N ATOM 117 C4 DG A 7 6.059 -1.419 -9.399 1.00 0.36 C ATOM 0 H5' DG A 7 9.406 2.997 -12.767 1.00 0.79 H new ATOM 0 H5'' DG A 7 9.363 2.058 -11.287 1.00 0.79 H new ATOM 0 H4' DG A 7 7.431 2.035 -13.571 1.00 0.66 H new ATOM 0 H3' DG A 7 7.216 3.734 -11.478 1.00 0.66 H new ATOM 0 H2' DG A 7 7.263 2.083 -9.691 1.00 0.57 H new ATOM 0 H2'' DG A 7 5.539 2.259 -9.954 1.00 0.57 H new ATOM 0 H1' DG A 7 5.367 0.319 -11.195 1.00 0.49 H new ATOM 0 H8 DG A 7 8.972 -0.089 -9.865 1.00 0.42 H new ATOM 0 H1 DG A 7 4.538 -4.092 -7.483 1.00 0.35 H new ATOM 0 H21 DG A 7 2.322 -2.306 -9.491 1.00 0.44 H new ATOM 0 H22 DG A 7 2.561 -3.615 -8.329 1.00 0.44 H new ATOM 129 P DG A 8 4.491 4.132 -11.767 1.00 0.76 P ATOM 130 OP1 DG A 8 3.815 4.796 -12.910 1.00 0.85 O ATOM 131 OP2 DG A 8 5.207 4.955 -10.759 1.00 0.94 O ATOM 132 O5' DG A 8 3.414 3.236 -11.008 1.00 0.88 O ATOM 133 C5' DG A 8 2.306 3.833 -10.333 1.00 0.75 C ATOM 134 C4' DG A 8 1.312 2.771 -9.920 1.00 0.56 C ATOM 135 O4' DG A 8 2.033 1.592 -9.474 1.00 0.49 O ATOM 136 C3' DG A 8 0.393 3.166 -8.756 1.00 0.46 C ATOM 137 O3' DG A 8 -0.931 2.664 -8.978 1.00 0.47 O ATOM 138 C2' DG A 8 1.029 2.482 -7.560 1.00 0.43 C ATOM 139 C1' DG A 8 1.586 1.218 -8.182 1.00 0.42 C ATOM 140 N9 DG A 8 2.712 0.630 -7.459 1.00 0.42 N ATOM 141 C8 DG A 8 4.045 0.914 -7.625 1.00 0.52 C ATOM 142 N7 DG A 8 4.821 0.222 -6.837 1.00 0.55 N ATOM 143 C5 DG A 8 3.947 -0.569 -6.105 1.00 0.46 C ATOM 144 C6 DG A 8 4.206 -1.527 -5.092 1.00 0.48 C ATOM 145 O6 DG A 8 5.299 -1.872 -4.627 1.00 0.58 O ATOM 146 N1 DG A 8 3.034 -2.105 -4.609 1.00 0.45 N ATOM 147 C2 DG A 8 1.771 -1.788 -5.056 1.00 0.42 C ATOM 148 N2 DG A 8 0.753 -2.439 -4.471 1.00 0.49 N ATOM 149 N3 DG A 8 1.517 -0.896 -5.999 1.00 0.38 N ATOM 150 C4 DG A 8 2.643 -0.330 -6.476 1.00 0.39 C ATOM 0 H5' DG A 8 1.822 4.560 -10.985 1.00 0.75 H new ATOM 0 H5'' DG A 8 2.655 4.376 -9.455 1.00 0.75 H new ATOM 0 H4' DG A 8 0.694 2.606 -10.803 1.00 0.56 H new ATOM 0 H3' DG A 8 0.297 4.244 -8.628 1.00 0.46 H new ATOM 0 H2' DG A 8 1.810 3.093 -7.108 1.00 0.43 H new ATOM 0 H2'' DG A 8 0.301 2.266 -6.778 1.00 0.43 H new ATOM 0 H1' DG A 8 0.803 0.459 -8.175 1.00 0.42 H new ATOM 0 H8 DG A 8 4.414 1.638 -8.337 1.00 0.52 H new ATOM 0 H1 DG A 8 3.117 -2.809 -3.876 1.00 0.45 H new ATOM 0 H21 DG A 8 -0.207 -2.248 -4.759 1.00 0.49 H new ATOM 0 H22 DG A 8 0.939 -3.124 -3.739 1.00 0.49 H new ATOM 162 P DG A 9 -2.160 3.227 -8.106 1.00 0.56 P ATOM 163 OP1 DG A 9 -2.981 4.085 -8.999 1.00 0.64 O ATOM 164 OP2 DG A 9 -1.621 3.789 -6.842 1.00 0.81 O ATOM 165 O5' DG A 9 -3.012 1.926 -7.753 1.00 0.96 O ATOM 166 C5' DG A 9 -2.387 0.759 -7.212 1.00 0.56 C ATOM 167 C4' DG A 9 -2.895 0.490 -5.813 1.00 0.47 C ATOM 168 O4' DG A 9 -1.804 -0.021 -5.004 1.00 0.42 O ATOM 169 C3' DG A 9 -3.439 1.719 -5.070 1.00 0.50 C ATOM 170 O3' DG A 9 -4.659 1.391 -4.397 1.00 0.64 O ATOM 171 C2' DG A 9 -2.349 2.051 -4.064 1.00 0.49 C ATOM 172 C1' DG A 9 -1.740 0.691 -3.782 1.00 0.37 C ATOM 173 N9 DG A 9 -0.343 0.726 -3.346 1.00 0.37 N ATOM 174 C8 DG A 9 0.652 1.551 -3.812 1.00 0.45 C ATOM 175 N7 DG A 9 1.803 1.351 -3.231 1.00 0.53 N ATOM 176 C5 DG A 9 1.554 0.331 -2.324 1.00 0.50 C ATOM 177 C6 DG A 9 2.424 -0.311 -1.407 1.00 0.62 C ATOM 178 O6 DG A 9 3.625 -0.096 -1.215 1.00 0.77 O ATOM 179 N1 DG A 9 1.769 -1.296 -0.670 1.00 0.60 N ATOM 180 C2 DG A 9 0.438 -1.615 -0.809 1.00 0.49 C ATOM 181 N2 DG A 9 -0.022 -2.593 -0.013 1.00 0.54 N ATOM 182 N3 DG A 9 -0.384 -1.023 -1.661 1.00 0.39 N ATOM 183 C4 DG A 9 0.236 -0.067 -2.381 1.00 0.39 C ATOM 0 H5' DG A 9 -1.305 0.893 -7.194 1.00 0.56 H new ATOM 0 H5'' DG A 9 -2.591 -0.100 -7.851 1.00 0.56 H new ATOM 0 H4' DG A 9 -3.718 -0.213 -5.944 1.00 0.47 H new ATOM 0 H3' DG A 9 -3.664 2.552 -5.736 1.00 0.50 H new ATOM 0 H2' DG A 9 -1.617 2.747 -4.473 1.00 0.49 H new ATOM 0 H2'' DG A 9 -2.755 2.509 -3.162 1.00 0.49 H new ATOM 0 H1' DG A 9 -2.294 0.235 -2.962 1.00 0.37 H new ATOM 0 H8 DG A 9 0.497 2.292 -4.583 1.00 0.45 H new ATOM 0 H1 DG A 9 2.313 -1.815 0.019 1.00 0.60 H new ATOM 0 H21 DG A 9 -1.000 -2.877 -0.067 1.00 0.54 H new ATOM 0 H22 DG A 9 0.607 -3.052 0.646 1.00 0.54 H new ATOM 195 P DT A 10 -6.068 1.834 -5.033 1.00 0.64 P ATOM 196 OP1 DT A 10 -5.910 1.834 -6.510 1.00 1.23 O ATOM 197 OP2 DT A 10 -6.522 3.069 -4.344 1.00 1.08 O ATOM 198 O5' DT A 10 -7.059 0.650 -4.640 1.00 1.04 O ATOM 199 C5' DT A 10 -8.337 0.524 -5.265 1.00 0.97 C ATOM 200 C4' DT A 10 -8.853 -0.889 -5.113 1.00 0.89 C ATOM 201 O4' DT A 10 -10.296 -0.867 -5.038 1.00 1.09 O ATOM 202 C3' DT A 10 -8.539 -1.818 -6.278 1.00 0.75 C ATOM 203 O3' DT A 10 -7.266 -2.446 -6.086 1.00 0.68 O ATOM 204 C2' DT A 10 -9.659 -2.839 -6.203 1.00 1.31 C ATOM 205 C1' DT A 10 -10.835 -2.032 -5.656 1.00 1.25 C ATOM 206 N1 DT A 10 -11.805 -1.597 -6.681 1.00 1.19 N ATOM 207 C2 DT A 10 -12.505 -2.566 -7.366 1.00 1.59 C ATOM 208 O2 DT A 10 -12.361 -3.761 -7.165 1.00 1.94 O ATOM 209 N3 DT A 10 -13.386 -2.083 -8.300 1.00 1.66 N ATOM 210 C4 DT A 10 -13.631 -0.761 -8.609 1.00 1.34 C ATOM 211 O4 DT A 10 -14.455 -0.478 -9.475 1.00 1.54 O ATOM 212 C5 DT A 10 -12.863 0.203 -7.853 1.00 0.91 C ATOM 213 C7 DT A 10 -13.065 1.662 -8.122 1.00 0.76 C ATOM 214 C6 DT A 10 -11.997 -0.254 -6.936 1.00 0.92 C ATOM 0 H5' DT A 10 -8.260 0.780 -6.322 1.00 0.97 H new ATOM 0 H5'' DT A 10 -9.040 1.226 -4.817 1.00 0.97 H new ATOM 0 H4' DT A 10 -8.357 -1.263 -4.218 1.00 0.89 H new ATOM 0 H3' DT A 10 -8.483 -1.309 -7.240 1.00 0.75 H new ATOM 0 H2' DT A 10 -9.883 -3.263 -7.182 1.00 1.31 H new ATOM 0 H2'' DT A 10 -9.402 -3.670 -5.547 1.00 1.31 H new ATOM 0 H1' DT A 10 -11.380 -2.680 -4.970 1.00 1.25 H new ATOM 0 H3 DT A 10 -13.919 -2.778 -8.824 1.00 1.66 H new ATOM 0 H71 DT A 10 -12.877 2.229 -7.211 1.00 0.76 H new ATOM 0 H72 DT A 10 -12.375 1.987 -8.901 1.00 0.76 H new ATOM 0 H73 DT A 10 -14.090 1.833 -8.451 1.00 0.76 H new ATOM 0 H6 DT A 10 -11.422 0.464 -6.370 1.00 0.92 H new ATOM 227 P DG A 11 -6.424 -2.954 -7.358 1.00 0.51 P ATOM 228 OP1 DG A 11 -6.286 -1.805 -8.289 1.00 0.61 O ATOM 229 OP2 DG A 11 -7.028 -4.222 -7.841 1.00 0.84 O ATOM 230 O5' DG A 11 -4.984 -3.281 -6.759 1.00 0.46 O ATOM 231 C5' DG A 11 -3.994 -3.950 -7.542 1.00 0.47 C ATOM 232 C4' DG A 11 -3.986 -5.429 -7.223 1.00 0.37 C ATOM 233 O4' DG A 11 -2.718 -5.996 -7.639 1.00 0.37 O ATOM 234 C3' DG A 11 -4.120 -5.770 -5.740 1.00 0.33 C ATOM 235 O3' DG A 11 -4.795 -7.022 -5.576 1.00 0.40 O ATOM 236 C2' DG A 11 -2.678 -5.874 -5.284 1.00 0.34 C ATOM 237 C1' DG A 11 -1.991 -6.458 -6.507 1.00 0.34 C ATOM 238 N9 DG A 11 -0.597 -6.049 -6.669 1.00 0.33 N ATOM 239 C8 DG A 11 -0.101 -5.136 -7.566 1.00 0.38 C ATOM 240 N7 DG A 11 1.191 -4.978 -7.480 1.00 0.38 N ATOM 241 C5 DG A 11 1.573 -5.840 -6.462 1.00 0.31 C ATOM 242 C6 DG A 11 2.855 -6.102 -5.917 1.00 0.32 C ATOM 243 O6 DG A 11 3.939 -5.605 -6.241 1.00 0.36 O ATOM 244 N1 DG A 11 2.803 -7.048 -4.895 1.00 0.37 N ATOM 245 C2 DG A 11 1.649 -7.658 -4.459 1.00 0.41 C ATOM 246 N2 DG A 11 1.788 -8.541 -3.457 1.00 0.54 N ATOM 247 N3 DG A 11 0.447 -7.421 -4.959 1.00 0.38 N ATOM 248 C4 DG A 11 0.483 -6.508 -5.950 1.00 0.31 C ATOM 0 H5' DG A 11 -3.012 -3.522 -7.342 1.00 0.47 H new ATOM 0 H5'' DG A 11 -4.197 -3.801 -8.603 1.00 0.47 H new ATOM 0 H4' DG A 11 -4.852 -5.832 -7.748 1.00 0.37 H new ATOM 0 H3' DG A 11 -4.697 -5.038 -5.175 1.00 0.33 H new ATOM 0 H2' DG A 11 -2.267 -4.902 -5.012 1.00 0.34 H new ATOM 0 H2'' DG A 11 -2.573 -6.520 -4.412 1.00 0.34 H new ATOM 0 H1' DG A 11 -1.980 -7.542 -6.395 1.00 0.34 H new ATOM 0 H8 DG A 11 -0.719 -4.602 -8.273 1.00 0.38 H new ATOM 0 H1 DG A 11 3.679 -7.305 -4.440 1.00 0.37 H new ATOM 0 H21 DG A 11 0.970 -9.027 -3.089 1.00 0.54 H new ATOM 0 H22 DG A 11 2.711 -8.726 -3.064 1.00 0.54 H new ATOM 260 P DG A 12 -5.538 -7.358 -4.190 1.00 0.48 P ATOM 261 OP1 DG A 12 -6.272 -8.635 -4.379 1.00 1.11 O ATOM 262 OP2 DG A 12 -6.276 -6.146 -3.750 1.00 0.73 O ATOM 263 O5' DG A 12 -4.345 -7.619 -3.166 1.00 0.72 O ATOM 264 C5' DG A 12 -4.418 -7.155 -1.819 1.00 0.53 C ATOM 265 C4' DG A 12 -3.469 -7.942 -0.945 1.00 0.36 C ATOM 266 O4' DG A 12 -2.124 -7.817 -1.473 1.00 0.40 O ATOM 267 C3' DG A 12 -3.400 -7.474 0.511 1.00 0.39 C ATOM 268 O3' DG A 12 -3.301 -8.600 1.391 1.00 0.50 O ATOM 269 C2' DG A 12 -2.133 -6.640 0.562 1.00 0.38 C ATOM 270 C1' DG A 12 -1.252 -7.307 -0.478 1.00 0.33 C ATOM 271 N9 DG A 12 -0.305 -6.405 -1.128 1.00 0.32 N ATOM 272 C8 DG A 12 -0.580 -5.486 -2.110 1.00 0.35 C ATOM 273 N7 DG A 12 0.469 -4.812 -2.494 1.00 0.36 N ATOM 274 C5 DG A 12 1.502 -5.319 -1.717 1.00 0.34 C ATOM 275 C6 DG A 12 2.878 -4.976 -1.687 1.00 0.38 C ATOM 276 O6 DG A 12 3.470 -4.131 -2.366 1.00 0.44 O ATOM 277 N1 DG A 12 3.582 -5.732 -0.751 1.00 0.40 N ATOM 278 C2 DG A 12 3.017 -6.698 0.051 1.00 0.39 C ATOM 279 N2 DG A 12 3.849 -7.328 0.895 1.00 0.46 N ATOM 280 N3 DG A 12 1.735 -7.025 0.031 1.00 0.35 N ATOM 281 C4 DG A 12 1.042 -6.302 -0.870 1.00 0.32 C ATOM 0 H5' DG A 12 -5.437 -7.257 -1.446 1.00 0.53 H new ATOM 0 H5'' DG A 12 -4.168 -6.095 -1.778 1.00 0.53 H new ATOM 0 H4' DG A 12 -3.854 -8.962 -0.955 1.00 0.36 H new ATOM 0 H3' DG A 12 -4.283 -6.916 0.823 1.00 0.39 H new ATOM 0 H2' DG A 12 -2.326 -5.595 0.319 1.00 0.38 H new ATOM 0 H2'' DG A 12 -1.676 -6.658 1.551 1.00 0.38 H new ATOM 0 H1' DG A 12 -0.655 -8.068 0.025 1.00 0.33 H new ATOM 0 H8 DG A 12 -1.566 -5.336 -2.523 1.00 0.35 H new ATOM 0 H1 DG A 12 4.582 -5.558 -0.654 1.00 0.40 H new ATOM 0 H21 DG A 12 3.492 -8.054 1.516 1.00 0.46 H new ATOM 0 H22 DG A 12 4.838 -7.081 0.915 1.00 0.46 H new ATOM 293 P DG A 13 -3.410 -8.387 2.982 1.00 0.62 P ATOM 294 OP1 DG A 13 -4.003 -9.623 3.555 1.00 1.18 O ATOM 295 OP2 DG A 13 -4.060 -7.076 3.237 1.00 0.95 O ATOM 296 O5' DG A 13 -1.894 -8.297 3.462 1.00 0.53 O ATOM 297 C5' DG A 13 -1.567 -7.943 4.806 1.00 0.53 C ATOM 298 C4' DG A 13 -0.126 -8.289 5.098 1.00 0.43 C ATOM 299 O4' DG A 13 0.713 -7.762 4.038 1.00 0.39 O ATOM 300 C3' DG A 13 0.425 -7.704 6.402 1.00 0.45 C ATOM 301 O3' DG A 13 1.301 -8.642 7.036 1.00 0.48 O ATOM 302 C2' DG A 13 1.197 -6.481 5.942 1.00 0.42 C ATOM 303 C1' DG A 13 1.714 -6.918 4.585 1.00 0.34 C ATOM 304 N9 DG A 13 1.950 -5.825 3.644 1.00 0.35 N ATOM 305 C8 DG A 13 1.025 -5.214 2.832 1.00 0.40 C ATOM 306 N7 DG A 13 1.534 -4.265 2.095 1.00 0.44 N ATOM 307 C5 DG A 13 2.878 -4.249 2.440 1.00 0.41 C ATOM 308 C6 DG A 13 3.935 -3.430 1.969 1.00 0.47 C ATOM 309 O6 DG A 13 3.886 -2.529 1.124 1.00 0.55 O ATOM 310 N1 DG A 13 5.148 -3.741 2.581 1.00 0.46 N ATOM 311 C2 DG A 13 5.310 -4.723 3.531 1.00 0.40 C ATOM 312 N2 DG A 13 6.552 -4.883 4.014 1.00 0.44 N ATOM 313 N3 DG A 13 4.331 -5.493 3.978 1.00 0.35 N ATOM 314 C4 DG A 13 3.151 -5.203 3.394 1.00 0.35 C ATOM 0 H5' DG A 13 -2.223 -8.470 5.499 1.00 0.53 H new ATOM 0 H5'' DG A 13 -1.731 -6.876 4.960 1.00 0.53 H new ATOM 0 H4' DG A 13 -0.108 -9.376 5.179 1.00 0.43 H new ATOM 0 H3' DG A 13 -0.352 -7.468 7.129 1.00 0.45 H new ATOM 0 H2' DG A 13 0.559 -5.600 5.870 1.00 0.42 H new ATOM 0 H2'' DG A 13 2.009 -6.231 6.625 1.00 0.42 H new ATOM 0 H1' DG A 13 2.681 -7.400 4.732 1.00 0.34 H new ATOM 0 H8 DG A 13 -0.018 -5.491 2.806 1.00 0.40 H new ATOM 0 H1 DG A 13 5.971 -3.205 2.306 1.00 0.46 H new ATOM 0 H21 DG A 13 6.737 -5.595 4.721 1.00 0.44 H new ATOM 0 H22 DG A 13 7.311 -4.293 3.674 1.00 0.44 H new ATOM 326 P DT A 14 1.265 -8.821 8.633 1.00 0.59 P ATOM 327 OP1 DT A 14 -0.145 -9.080 9.021 1.00 0.56 O ATOM 328 OP2 DT A 14 1.998 -7.684 9.246 1.00 0.91 O ATOM 329 O5' DT A 14 2.103 -10.152 8.889 1.00 0.59 O ATOM 330 C5' DT A 14 2.277 -10.669 10.208 1.00 1.07 C ATOM 331 C4' DT A 14 2.635 -12.135 10.149 1.00 0.67 C ATOM 332 O4' DT A 14 3.101 -12.566 11.450 1.00 0.80 O ATOM 333 C3' DT A 14 1.475 -13.066 9.809 1.00 0.45 C ATOM 334 O3' DT A 14 1.392 -13.267 8.394 1.00 0.37 O ATOM 335 C2' DT A 14 1.860 -14.352 10.514 1.00 0.59 C ATOM 336 C1' DT A 14 2.574 -13.851 11.762 1.00 0.61 C ATOM 337 N1 DT A 14 1.702 -13.711 12.946 1.00 0.73 N ATOM 338 C2 DT A 14 1.483 -14.824 13.727 1.00 1.01 C ATOM 339 O2 DT A 14 1.975 -15.915 13.487 1.00 1.32 O ATOM 340 N3 DT A 14 0.664 -14.613 14.807 1.00 1.20 N ATOM 341 C4 DT A 14 0.056 -13.429 15.173 1.00 1.19 C ATOM 342 O4 DT A 14 -0.656 -13.392 16.173 1.00 1.43 O ATOM 343 C5 DT A 14 0.329 -12.302 14.309 1.00 1.17 C ATOM 344 C7 DT A 14 -0.289 -10.976 14.632 1.00 1.63 C ATOM 345 C6 DT A 14 1.128 -12.493 13.250 1.00 0.98 C ATOM 0 H5' DT A 14 1.361 -10.533 10.784 1.00 1.07 H new ATOM 0 H5'' DT A 14 3.062 -10.116 10.723 1.00 1.07 H new ATOM 0 H4' DT A 14 3.382 -12.204 9.358 1.00 0.67 H new ATOM 0 H3' DT A 14 0.502 -12.681 10.115 1.00 0.45 H new ATOM 0 H2' DT A 14 0.986 -14.955 10.762 1.00 0.59 H new ATOM 0 H2'' DT A 14 2.510 -14.972 9.897 1.00 0.59 H new ATOM 0 H1' DT A 14 3.334 -14.588 12.024 1.00 0.61 H new ATOM 0 H3 DT A 14 0.485 -15.419 15.405 1.00 1.20 H new ATOM 0 H71 DT A 14 0.364 -10.176 14.284 1.00 1.63 H new ATOM 0 H72 DT A 14 -1.257 -10.895 14.137 1.00 1.63 H new ATOM 0 H73 DT A 14 -0.425 -10.891 15.710 1.00 1.63 H new ATOM 0 H6 DT A 14 1.333 -11.653 12.603 1.00 0.98 H new ATOM 358 P DA A 15 0.023 -13.799 7.741 1.00 0.55 P ATOM 359 OP1 DA A 15 -1.032 -12.799 8.043 1.00 1.02 O ATOM 360 OP2 DA A 15 -0.169 -15.214 8.150 1.00 1.13 O ATOM 361 O5' DA A 15 0.304 -13.765 6.173 1.00 0.72 O ATOM 362 C5' DA A 15 -0.537 -14.473 5.261 1.00 1.17 C ATOM 363 C4' DA A 15 -0.121 -14.184 3.837 1.00 0.88 C ATOM 364 O4' DA A 15 -0.754 -15.146 2.955 1.00 0.86 O ATOM 365 C3' DA A 15 -0.533 -12.809 3.312 1.00 0.70 C ATOM 366 O3' DA A 15 0.432 -12.325 2.371 1.00 0.85 O ATOM 367 C2' DA A 15 -1.856 -13.086 2.625 1.00 0.80 C ATOM 368 C1' DA A 15 -1.652 -14.487 2.072 1.00 0.73 C ATOM 369 N9 DA A 15 -2.875 -15.289 1.993 1.00 0.92 N ATOM 370 C8 DA A 15 -3.483 -15.998 3.000 1.00 1.11 C ATOM 371 N7 DA A 15 -4.573 -16.621 2.624 1.00 1.38 N ATOM 372 C5 DA A 15 -4.693 -16.302 1.278 1.00 1.51 C ATOM 373 C6 DA A 15 -5.643 -16.653 0.304 1.00 1.98 C ATOM 374 N6 DA A 15 -6.698 -17.436 0.545 1.00 2.32 N ATOM 375 N1 DA A 15 -5.471 -16.166 -0.945 1.00 2.17 N ATOM 376 C2 DA A 15 -4.414 -15.381 -1.187 1.00 1.88 C ATOM 377 N3 DA A 15 -3.454 -14.981 -0.356 1.00 1.39 N ATOM 378 C4 DA A 15 -3.654 -15.482 0.876 1.00 1.22 C ATOM 0 H5' DA A 15 -1.576 -14.180 5.411 1.00 1.17 H new ATOM 0 H5'' DA A 15 -0.476 -15.544 5.455 1.00 1.17 H new ATOM 0 H4' DA A 15 0.968 -14.234 3.847 1.00 0.88 H new ATOM 0 H3' DA A 15 -0.605 -12.051 4.092 1.00 0.70 H new ATOM 0 H2' DA A 15 -2.692 -13.043 3.323 1.00 0.80 H new ATOM 0 H2'' DA A 15 -2.062 -12.364 1.835 1.00 0.80 H new ATOM 0 H1' DA A 15 -1.282 -14.389 1.051 1.00 0.73 H new ATOM 0 H8 DA A 15 -3.098 -16.038 4.008 1.00 1.11 H new ATOM 0 H61 DA A 15 -7.353 -17.654 -0.206 1.00 2.32 H new ATOM 0 H62 DA A 15 -6.849 -17.815 1.480 1.00 2.32 H new ATOM 0 H2 DA A 15 -4.328 -15.021 -2.201 1.00 1.88 H new ATOM 390 P DG A 16 1.503 -11.213 2.822 1.00 0.96 P ATOM 391 OP1 DG A 16 1.805 -11.441 4.258 1.00 1.17 O ATOM 392 OP2 DG A 16 1.012 -9.884 2.377 1.00 1.41 O ATOM 393 O5' DG A 16 2.808 -11.571 1.979 1.00 0.79 O ATOM 394 C5' DG A 16 3.422 -12.856 2.084 1.00 0.65 C ATOM 395 C4' DG A 16 4.926 -12.718 2.064 1.00 0.53 C ATOM 396 O4' DG A 16 5.347 -12.313 0.736 1.00 0.49 O ATOM 397 C3' DG A 16 5.487 -11.663 3.020 1.00 0.59 C ATOM 398 O3' DG A 16 6.747 -12.089 3.552 1.00 0.70 O ATOM 399 C2' DG A 16 5.666 -10.448 2.131 1.00 0.54 C ATOM 400 C1' DG A 16 6.036 -11.074 0.799 1.00 0.45 C ATOM 401 N9 DG A 16 5.652 -10.282 -0.368 1.00 0.42 N ATOM 402 C8 DG A 16 4.423 -10.249 -0.980 1.00 0.47 C ATOM 403 N7 DG A 16 4.380 -9.446 -2.008 1.00 0.47 N ATOM 404 C5 DG A 16 5.661 -8.915 -2.078 1.00 0.40 C ATOM 405 C6 DG A 16 6.217 -7.982 -2.990 1.00 0.41 C ATOM 406 O6 DG A 16 5.666 -7.422 -3.944 1.00 0.51 O ATOM 407 N1 DG A 16 7.555 -7.712 -2.707 1.00 0.37 N ATOM 408 C2 DG A 16 8.259 -8.278 -1.668 1.00 0.37 C ATOM 409 N2 DG A 16 9.539 -7.893 -1.539 1.00 0.44 N ATOM 410 N3 DG A 16 7.750 -9.149 -0.812 1.00 0.37 N ATOM 411 C4 DG A 16 6.457 -9.420 -1.075 1.00 0.36 C ATOM 0 H5' DG A 16 3.097 -13.491 1.260 1.00 0.65 H new ATOM 0 H5'' DG A 16 3.106 -13.344 3.006 1.00 0.65 H new ATOM 0 H4' DG A 16 5.303 -13.693 2.372 1.00 0.53 H new ATOM 0 H3' DG A 16 4.842 -11.474 3.878 1.00 0.59 H new ATOM 0 H2' DG A 16 4.753 -9.856 2.063 1.00 0.54 H new ATOM 0 H2'' DG A 16 6.449 -9.785 2.500 1.00 0.54 H new ATOM 0 H1' DG A 16 7.122 -11.163 0.761 1.00 0.45 H new ATOM 0 H8 DG A 16 3.577 -10.830 -0.644 1.00 0.47 H new ATOM 0 H1 DG A 16 8.045 -7.051 -3.310 1.00 0.37 H new ATOM 0 H21 DG A 16 10.114 -8.276 -0.789 1.00 0.44 H new ATOM 0 H22 DG A 16 9.936 -7.217 -2.191 1.00 0.44 H new ATOM 423 P DG A 17 7.422 -11.278 4.766 1.00 0.82 P ATOM 424 OP1 DG A 17 8.213 -12.250 5.564 1.00 1.12 O ATOM 425 OP2 DG A 17 6.369 -10.470 5.433 1.00 1.03 O ATOM 426 O5' DG A 17 8.439 -10.280 4.049 1.00 0.62 O ATOM 427 C5' DG A 17 9.696 -10.740 3.552 1.00 0.59 C ATOM 428 C4' DG A 17 10.665 -9.586 3.427 1.00 0.46 C ATOM 429 O4' DG A 17 10.277 -8.761 2.299 1.00 0.41 O ATOM 430 C3' DG A 17 10.711 -8.649 4.638 1.00 0.51 C ATOM 431 O3' DG A 17 12.051 -8.197 4.865 1.00 0.66 O ATOM 432 C2' DG A 17 9.820 -7.493 4.223 1.00 0.48 C ATOM 433 C1' DG A 17 10.056 -7.425 2.725 1.00 0.37 C ATOM 434 N9 DG A 17 8.933 -6.887 1.958 1.00 0.32 N ATOM 435 C8 DG A 17 7.618 -7.273 2.033 1.00 0.34 C ATOM 436 N7 DG A 17 6.840 -6.616 1.220 1.00 0.38 N ATOM 437 C5 DG A 17 7.694 -5.739 0.565 1.00 0.34 C ATOM 438 C6 DG A 17 7.422 -4.771 -0.435 1.00 0.37 C ATOM 439 O6 DG A 17 6.336 -4.493 -0.956 1.00 0.45 O ATOM 440 N1 DG A 17 8.575 -4.093 -0.829 1.00 0.35 N ATOM 441 C2 DG A 17 9.830 -4.329 -0.314 1.00 0.36 C ATOM 442 N2 DG A 17 10.825 -3.579 -0.811 1.00 0.43 N ATOM 443 N3 DG A 17 10.094 -5.230 0.618 1.00 0.36 N ATOM 444 C4 DG A 17 8.988 -5.893 1.009 1.00 0.32 C ATOM 0 H5' DG A 17 9.559 -11.215 2.581 1.00 0.59 H new ATOM 0 H5'' DG A 17 10.105 -11.496 4.222 1.00 0.59 H new ATOM 0 H4' DG A 17 11.645 -10.052 3.320 1.00 0.46 H new ATOM 0 H3' DG A 17 10.386 -9.125 5.563 1.00 0.51 H new ATOM 0 H2' DG A 17 8.773 -7.680 4.462 1.00 0.48 H new ATOM 0 H2'' DG A 17 10.099 -6.565 4.721 1.00 0.48 H new ATOM 0 H1' DG A 17 10.894 -6.751 2.548 1.00 0.37 H new ATOM 0 H8 DG A 17 7.263 -8.045 2.700 1.00 0.34 H new ATOM 0 H1 DG A 17 8.483 -3.374 -1.547 1.00 0.35 H new ATOM 0 H21 DG A 17 11.778 -3.706 -0.471 1.00 0.43 H new ATOM 0 H22 DG A 17 10.628 -2.882 -1.529 1.00 0.43 H new ATOM 456 P DG A 18 12.419 -7.430 6.231 1.00 0.88 P ATOM 457 OP1 DG A 18 13.528 -8.179 6.876 1.00 1.08 O ATOM 458 OP2 DG A 18 11.162 -7.188 6.985 1.00 1.04 O ATOM 459 O5' DG A 18 12.988 -6.024 5.742 1.00 1.07 O ATOM 460 C5' DG A 18 14.214 -5.941 5.015 1.00 0.82 C ATOM 461 C4' DG A 18 14.485 -4.511 4.608 1.00 0.53 C ATOM 462 O4' DG A 18 13.478 -4.094 3.650 1.00 0.50 O ATOM 463 C3' DG A 18 14.429 -3.493 5.753 1.00 0.59 C ATOM 464 O3' DG A 18 15.472 -2.522 5.608 1.00 0.65 O ATOM 465 C2' DG A 18 13.068 -2.841 5.587 1.00 0.66 C ATOM 466 C1' DG A 18 12.863 -2.894 4.085 1.00 0.50 C ATOM 467 N9 DG A 18 11.464 -2.924 3.663 1.00 0.48 N ATOM 468 C8 DG A 18 10.468 -3.736 4.150 1.00 0.53 C ATOM 469 N7 DG A 18 9.313 -3.535 3.578 1.00 0.57 N ATOM 470 C5 DG A 18 9.559 -2.527 2.656 1.00 0.52 C ATOM 471 C6 DG A 18 8.685 -1.889 1.741 1.00 0.57 C ATOM 472 O6 DG A 18 7.480 -2.097 1.564 1.00 0.65 O ATOM 473 N1 DG A 18 9.339 -0.918 0.986 1.00 0.57 N ATOM 474 C2 DG A 18 10.674 -0.608 1.107 1.00 0.56 C ATOM 475 N2 DG A 18 11.134 0.357 0.295 1.00 0.66 N ATOM 476 N3 DG A 18 11.500 -1.196 1.958 1.00 0.52 N ATOM 477 C4 DG A 18 10.880 -2.139 2.695 1.00 0.48 C ATOM 0 H5' DG A 18 14.164 -6.575 4.130 1.00 0.82 H new ATOM 0 H5'' DG A 18 15.035 -6.314 5.628 1.00 0.82 H new ATOM 0 H4' DG A 18 15.500 -4.517 4.211 1.00 0.53 H new ATOM 0 H3' DG A 18 14.564 -3.947 6.734 1.00 0.59 H new ATOM 0 H2' DG A 18 12.289 -3.384 6.123 1.00 0.66 H new ATOM 0 H2'' DG A 18 13.059 -1.818 5.962 1.00 0.66 H new ATOM 0 H1' DG A 18 13.286 -1.986 3.655 1.00 0.50 H new ATOM 0 H8 DG A 18 10.626 -4.468 4.929 1.00 0.53 H new ATOM 0 H1 DG A 18 8.791 -0.402 0.297 1.00 0.57 H new ATOM 0 H21 DG A 18 12.115 0.633 0.336 1.00 0.66 H new ATOM 0 H22 DG A 18 10.502 0.814 -0.363 1.00 0.66 H new ATOM 489 P DT A 19 16.913 -2.783 6.276 1.00 0.76 P ATOM 490 OP1 DT A 19 16.759 -3.889 7.255 1.00 1.00 O ATOM 491 OP2 DT A 19 17.460 -1.477 6.725 1.00 0.95 O ATOM 492 O5' DT A 19 17.808 -3.312 5.068 1.00 0.82 O ATOM 493 C5' DT A 19 18.062 -2.492 3.927 1.00 0.60 C ATOM 494 C4' DT A 19 19.126 -3.122 3.059 1.00 0.46 C ATOM 495 O4' DT A 19 20.317 -3.345 3.856 1.00 0.55 O ATOM 496 C3' DT A 19 18.755 -4.486 2.474 1.00 0.58 C ATOM 497 O3' DT A 19 19.333 -4.645 1.174 1.00 0.62 O ATOM 498 C2' DT A 19 19.371 -5.464 3.457 1.00 1.00 C ATOM 499 C1' DT A 19 20.623 -4.731 3.906 1.00 0.92 C ATOM 500 N1 DT A 19 21.057 -5.053 5.280 1.00 1.30 N ATOM 501 C2 DT A 19 21.911 -6.119 5.459 1.00 1.93 C ATOM 502 O2 DT A 19 22.322 -6.807 4.539 1.00 2.24 O ATOM 503 N3 DT A 19 22.267 -6.354 6.763 1.00 2.28 N ATOM 504 C4 DT A 19 21.865 -5.646 7.877 1.00 2.14 C ATOM 505 O4 DT A 19 22.270 -5.976 8.989 1.00 2.57 O ATOM 506 C5 DT A 19 20.970 -4.541 7.617 1.00 1.64 C ATOM 507 C7 DT A 19 20.482 -3.717 8.768 1.00 1.79 C ATOM 508 C6 DT A 19 20.612 -4.299 6.347 1.00 1.22 C ATOM 0 H5' DT A 19 18.383 -1.501 4.247 1.00 0.60 H new ATOM 0 H5'' DT A 19 17.145 -2.360 3.353 1.00 0.60 H new ATOM 0 H4' DT A 19 19.266 -2.423 2.234 1.00 0.46 H new ATOM 0 H3' DT A 19 17.681 -4.625 2.349 1.00 0.58 H new ATOM 0 H2' DT A 19 18.703 -5.676 4.292 1.00 1.00 H new ATOM 0 H2'' DT A 19 19.606 -6.419 2.987 1.00 1.00 H new ATOM 0 H1' DT A 19 21.439 -5.032 3.250 1.00 0.92 H new ATOM 0 H3 DT A 19 22.898 -7.138 6.927 1.00 2.28 H new ATOM 0 H71 DT A 19 20.297 -2.696 8.432 1.00 1.79 H new ATOM 0 H72 DT A 19 19.557 -4.145 9.155 1.00 1.79 H new ATOM 0 H73 DT A 19 21.236 -3.709 9.555 1.00 1.79 H new ATOM 0 H6 DT A 19 19.943 -3.474 6.150 1.00 1.22 H new ATOM 521 P DG A 20 18.551 -5.484 0.048 1.00 0.86 P ATOM 522 OP1 DG A 20 18.257 -6.824 0.616 1.00 1.57 O ATOM 523 OP2 DG A 20 19.309 -5.376 -1.224 1.00 1.55 O ATOM 524 O5' DG A 20 17.171 -4.705 -0.124 1.00 0.57 O ATOM 525 C5' DG A 20 16.130 -5.227 -0.951 1.00 0.35 C ATOM 526 C4' DG A 20 16.250 -4.675 -2.352 1.00 0.32 C ATOM 527 O4' DG A 20 15.245 -5.297 -3.193 1.00 0.35 O ATOM 528 C3' DG A 20 16.023 -3.166 -2.472 1.00 0.33 C ATOM 529 O3' DG A 20 16.888 -2.608 -3.468 1.00 0.36 O ATOM 530 C2' DG A 20 14.573 -3.062 -2.904 1.00 0.36 C ATOM 531 C1' DG A 20 14.390 -4.310 -3.748 1.00 0.33 C ATOM 532 N9 DG A 20 13.028 -4.841 -3.751 1.00 0.31 N ATOM 533 C8 DG A 20 12.535 -5.862 -2.975 1.00 0.33 C ATOM 534 N7 DG A 20 11.277 -6.122 -3.203 1.00 0.33 N ATOM 535 C5 DG A 20 10.916 -5.216 -4.192 1.00 0.30 C ATOM 536 C6 DG A 20 9.673 -5.020 -4.845 1.00 0.31 C ATOM 537 O6 DG A 20 8.613 -5.629 -4.669 1.00 0.35 O ATOM 538 N1 DG A 20 9.736 -3.995 -5.787 1.00 0.33 N ATOM 539 C2 DG A 20 10.865 -3.255 -6.057 1.00 0.35 C ATOM 540 N2 DG A 20 10.737 -2.300 -6.991 1.00 0.42 N ATOM 541 N3 DG A 20 12.030 -3.429 -5.454 1.00 0.33 N ATOM 542 C4 DG A 20 11.984 -4.419 -4.540 1.00 0.30 C ATOM 0 H5' DG A 20 15.158 -4.967 -0.532 1.00 0.35 H new ATOM 0 H5'' DG A 20 16.186 -6.315 -0.975 1.00 0.35 H new ATOM 0 H4' DG A 20 17.276 -4.889 -2.652 1.00 0.32 H new ATOM 0 H3' DG A 20 16.232 -2.626 -1.549 1.00 0.33 H new ATOM 0 H2' DG A 20 13.896 -3.047 -2.050 1.00 0.36 H new ATOM 0 H2'' DG A 20 14.385 -2.154 -3.477 1.00 0.36 H new ATOM 0 H1' DG A 20 14.618 -4.051 -4.782 1.00 0.33 H new ATOM 0 H8 DG A 20 13.130 -6.396 -2.249 1.00 0.33 H new ATOM 0 H1 DG A 20 8.889 -3.778 -6.312 1.00 0.33 H new ATOM 0 H21 DG A 20 11.537 -1.717 -7.237 1.00 0.42 H new ATOM 0 H22 DG A 20 9.840 -2.157 -7.455 1.00 0.42 H new ATOM 554 P DG A 21 17.259 -1.044 -3.424 1.00 0.41 P ATOM 555 OP1 DG A 21 18.434 -0.841 -4.309 1.00 0.56 O ATOM 556 OP2 DG A 21 17.333 -0.620 -2.002 1.00 0.57 O ATOM 557 O5' DG A 21 16.001 -0.328 -4.094 1.00 0.46 O ATOM 558 C5' DG A 21 15.958 -0.078 -5.500 1.00 0.76 C ATOM 559 C4' DG A 21 14.943 0.998 -5.811 1.00 0.69 C ATOM 560 O4' DG A 21 13.611 0.427 -5.743 1.00 0.62 O ATOM 561 C3' DG A 21 14.944 2.187 -4.841 1.00 0.71 C ATOM 562 O3' DG A 21 14.763 3.413 -5.560 1.00 0.87 O ATOM 563 C2' DG A 21 13.752 1.915 -3.941 1.00 0.62 C ATOM 564 C1' DG A 21 12.798 1.203 -4.880 1.00 0.52 C ATOM 565 N9 DG A 21 11.851 0.305 -4.220 1.00 0.44 N ATOM 566 C8 DG A 21 12.094 -0.514 -3.146 1.00 0.43 C ATOM 567 N7 DG A 21 11.052 -1.205 -2.777 1.00 0.40 N ATOM 568 C5 DG A 21 10.056 -0.819 -3.663 1.00 0.38 C ATOM 569 C6 DG A 21 8.703 -1.231 -3.757 1.00 0.43 C ATOM 570 O6 DG A 21 8.102 -2.049 -3.051 1.00 0.50 O ATOM 571 N1 DG A 21 8.035 -0.592 -4.799 1.00 0.45 N ATOM 572 C2 DG A 21 8.613 0.330 -5.642 1.00 0.46 C ATOM 573 N2 DG A 21 7.815 0.846 -6.589 1.00 0.54 N ATOM 574 N3 DG A 21 9.874 0.723 -5.564 1.00 0.44 N ATOM 575 C4 DG A 21 10.532 0.112 -4.559 1.00 0.40 C ATOM 0 H5' DG A 21 15.701 -0.994 -6.031 1.00 0.76 H new ATOM 0 H5'' DG A 21 16.943 0.229 -5.852 1.00 0.76 H new ATOM 0 H4' DG A 21 15.218 1.367 -6.799 1.00 0.69 H new ATOM 0 H3' DG A 21 15.877 2.288 -4.287 1.00 0.71 H new ATOM 0 H2' DG A 21 14.021 1.295 -3.086 1.00 0.62 H new ATOM 0 H2'' DG A 21 13.323 2.835 -3.545 1.00 0.62 H new ATOM 0 H1' DG A 21 12.193 1.957 -5.383 1.00 0.52 H new ATOM 0 H8 DG A 21 13.054 -0.580 -2.655 1.00 0.43 H new ATOM 0 H1 DG A 21 7.053 -0.823 -4.947 1.00 0.45 H new ATOM 0 H21 DG A 21 8.182 1.535 -7.246 1.00 0.54 H new ATOM 0 H22 DG A 21 6.841 0.550 -6.652 1.00 0.54 H new ATOM 587 P DG A 22 15.027 4.821 -4.827 1.00 1.00 P ATOM 588 OP1 DG A 22 16.106 5.515 -5.577 1.00 1.26 O ATOM 589 OP2 DG A 22 15.191 4.570 -3.372 1.00 1.12 O ATOM 590 O5' DG A 22 13.672 5.630 -5.049 1.00 1.01 O ATOM 591 C5' DG A 22 12.780 5.893 -3.963 1.00 0.68 C ATOM 592 C4' DG A 22 11.357 5.965 -4.466 1.00 0.51 C ATOM 593 O4' DG A 22 10.850 4.627 -4.654 1.00 0.55 O ATOM 594 C3' DG A 22 10.370 6.628 -3.514 1.00 0.63 C ATOM 595 O3' DG A 22 10.326 8.040 -3.745 1.00 0.77 O ATOM 596 C2' DG A 22 9.048 5.981 -3.890 1.00 0.58 C ATOM 597 C1' DG A 22 9.452 4.594 -4.386 1.00 0.55 C ATOM 598 N9 DG A 22 9.204 3.516 -3.429 1.00 0.51 N ATOM 599 C8 DG A 22 10.127 2.883 -2.634 1.00 0.52 C ATOM 600 N7 DG A 22 9.608 1.956 -1.877 1.00 0.51 N ATOM 601 C5 DG A 22 8.256 1.977 -2.193 1.00 0.50 C ATOM 602 C6 DG A 22 7.187 1.193 -1.691 1.00 0.56 C ATOM 603 O6 DG A 22 7.229 0.297 -0.840 1.00 0.60 O ATOM 604 N1 DG A 22 5.970 1.534 -2.278 1.00 0.67 N ATOM 605 C2 DG A 22 5.815 2.515 -3.232 1.00 0.71 C ATOM 606 N2 DG A 22 4.567 2.706 -3.688 1.00 0.87 N ATOM 607 N3 DG A 22 6.806 3.253 -3.707 1.00 0.64 N ATOM 608 C4 DG A 22 7.990 2.933 -3.148 1.00 0.53 C ATOM 0 H5' DG A 22 13.051 6.831 -3.479 1.00 0.68 H new ATOM 0 H5'' DG A 22 12.869 5.109 -3.211 1.00 0.68 H new ATOM 0 H4' DG A 22 11.420 6.559 -5.378 1.00 0.51 H new ATOM 0 H3' DG A 22 10.627 6.501 -2.462 1.00 0.63 H new ATOM 0 H2' DG A 22 8.375 5.920 -3.035 1.00 0.58 H new ATOM 0 H2'' DG A 22 8.530 6.548 -4.664 1.00 0.58 H new ATOM 0 H1' DG A 22 8.844 4.378 -5.264 1.00 0.55 H new ATOM 0 H8 DG A 22 11.179 3.128 -2.635 1.00 0.52 H new ATOM 0 H1 DG A 22 5.139 1.023 -1.981 1.00 0.67 H new ATOM 0 H21 DG A 22 4.386 3.418 -4.396 1.00 0.87 H new ATOM 0 H22 DG A 22 3.800 2.139 -3.327 1.00 0.87 H new ATOM 620 P DT A 23 9.821 9.026 -2.579 1.00 1.04 P ATOM 621 OP1 DT A 23 9.818 10.404 -3.133 1.00 1.66 O ATOM 622 OP2 DT A 23 10.600 8.732 -1.349 1.00 1.51 O ATOM 623 O5' DT A 23 8.309 8.589 -2.332 1.00 1.10 O ATOM 624 C5' DT A 23 7.522 9.208 -1.314 1.00 0.98 C ATOM 625 C4' DT A 23 6.053 8.979 -1.583 1.00 0.68 C ATOM 626 O4' DT A 23 5.793 7.551 -1.603 1.00 0.52 O ATOM 627 C3' DT A 23 5.106 9.565 -0.530 1.00 0.55 C ATOM 628 O3' DT A 23 3.938 10.107 -1.159 1.00 0.64 O ATOM 629 C2' DT A 23 4.746 8.366 0.328 1.00 0.44 C ATOM 630 C1' DT A 23 4.766 7.233 -0.679 1.00 0.37 C ATOM 631 N1 DT A 23 5.058 5.906 -0.102 1.00 0.36 N ATOM 632 C2 DT A 23 3.999 5.067 0.165 1.00 0.48 C ATOM 633 O2 DT A 23 2.837 5.367 -0.057 1.00 0.62 O ATOM 634 N3 DT A 23 4.351 3.857 0.704 1.00 0.64 N ATOM 635 C4 DT A 23 5.623 3.412 0.996 1.00 0.67 C ATOM 636 O4 DT A 23 5.779 2.294 1.482 1.00 0.87 O ATOM 637 C5 DT A 23 6.688 4.342 0.691 1.00 0.62 C ATOM 638 C7 DT A 23 8.103 3.943 0.977 1.00 0.84 C ATOM 639 C6 DT A 23 6.360 5.531 0.163 1.00 0.50 C ATOM 0 H5' DT A 23 7.731 10.277 -1.281 1.00 0.98 H new ATOM 0 H5'' DT A 23 7.789 8.801 -0.339 1.00 0.98 H new ATOM 0 H4' DT A 23 5.858 9.480 -2.531 1.00 0.68 H new ATOM 0 H3' DT A 23 5.551 10.378 0.044 1.00 0.55 H new ATOM 0 H2' DT A 23 5.466 8.209 1.131 1.00 0.44 H new ATOM 0 H2'' DT A 23 3.767 8.479 0.795 1.00 0.44 H new ATOM 0 H1' DT A 23 3.772 7.153 -1.120 1.00 0.37 H new ATOM 0 H3 DT A 23 3.587 3.214 0.912 1.00 0.64 H new ATOM 0 H71 DT A 23 8.770 4.432 0.266 1.00 0.84 H new ATOM 0 H72 DT A 23 8.369 4.245 1.990 1.00 0.84 H new ATOM 0 H73 DT A 23 8.202 2.862 0.883 1.00 0.84 H new ATOM 0 H6 DT A 23 7.152 6.228 -0.066 1.00 0.50 H new ATOM 652 P DA A 24 2.781 10.777 -0.264 1.00 0.60 P ATOM 653 OP1 DA A 24 2.139 11.833 -1.087 1.00 0.87 O ATOM 654 OP2 DA A 24 3.356 11.127 1.060 1.00 0.60 O ATOM 655 O5' DA A 24 1.725 9.600 -0.058 1.00 0.56 O ATOM 656 C5' DA A 24 0.829 9.598 1.055 1.00 0.48 C ATOM 657 C4' DA A 24 0.468 8.179 1.427 1.00 0.41 C ATOM 658 O4' DA A 24 1.670 7.477 1.837 1.00 0.42 O ATOM 659 C3' DA A 24 -0.512 8.047 2.597 1.00 0.38 C ATOM 660 O3' DA A 24 -1.387 6.932 2.392 1.00 0.41 O ATOM 661 C2' DA A 24 0.397 7.797 3.785 1.00 0.39 C ATOM 662 C1' DA A 24 1.522 6.991 3.162 1.00 0.35 C ATOM 663 N9 DA A 24 2.813 7.121 3.841 1.00 0.39 N ATOM 664 C8 DA A 24 3.768 8.093 3.659 1.00 0.44 C ATOM 665 N7 DA A 24 4.827 7.941 4.416 1.00 0.54 N ATOM 666 C5 DA A 24 4.553 6.793 5.147 1.00 0.55 C ATOM 667 C6 DA A 24 5.283 6.099 6.128 1.00 0.69 C ATOM 668 N6 DA A 24 6.488 6.477 6.561 1.00 0.81 N ATOM 669 N1 DA A 24 4.724 4.989 6.657 1.00 0.74 N ATOM 670 C2 DA A 24 3.515 4.610 6.224 1.00 0.67 C ATOM 671 N3 DA A 24 2.733 5.178 5.309 1.00 0.53 N ATOM 672 C4 DA A 24 3.317 6.278 4.803 1.00 0.47 C ATOM 0 H5' DA A 24 -0.073 10.158 0.807 1.00 0.48 H new ATOM 0 H5'' DA A 24 1.292 10.099 1.905 1.00 0.48 H new ATOM 0 H4' DA A 24 -0.008 7.768 0.537 1.00 0.41 H new ATOM 0 H3' DA A 24 -1.152 8.920 2.723 1.00 0.38 H new ATOM 0 H2' DA A 24 0.757 8.727 4.225 1.00 0.39 H new ATOM 0 H2'' DA A 24 -0.110 7.245 4.577 1.00 0.39 H new ATOM 0 H1' DA A 24 1.254 5.936 3.227 1.00 0.35 H new ATOM 0 H8 DA A 24 3.656 8.906 2.957 1.00 0.44 H new ATOM 0 H61 DA A 24 6.968 5.930 7.276 1.00 0.81 H new ATOM 0 H62 DA A 24 6.929 7.313 6.177 1.00 0.81 H new ATOM 0 H2 DA A 24 3.118 3.716 6.682 1.00 0.67 H new ATOM 684 P DA A 25 -2.768 7.129 1.592 1.00 0.85 P ATOM 685 OP1 DA A 25 -2.459 7.880 0.348 1.00 1.38 O ATOM 686 OP2 DA A 25 -3.783 7.660 2.537 1.00 1.41 O ATOM 687 O5' DA A 25 -3.190 5.647 1.184 1.00 0.91 O ATOM 688 C5' DA A 25 -2.231 4.726 0.663 1.00 0.77 C ATOM 689 C4' DA A 25 -2.488 3.340 1.209 1.00 0.80 C ATOM 690 O4' DA A 25 -1.516 2.422 0.667 1.00 0.74 O ATOM 691 C3' DA A 25 -2.341 3.204 2.717 1.00 0.99 C ATOM 692 O3' DA A 25 -3.564 3.537 3.383 1.00 1.16 O ATOM 693 C2' DA A 25 -2.014 1.730 2.889 1.00 1.06 C ATOM 694 C1' DA A 25 -1.273 1.373 1.600 1.00 0.90 C ATOM 695 N9 DA A 25 0.178 1.235 1.757 1.00 0.94 N ATOM 696 C8 DA A 25 1.165 1.991 1.174 1.00 0.92 C ATOM 697 N7 DA A 25 2.378 1.625 1.508 1.00 1.11 N ATOM 698 C5 DA A 25 2.179 0.556 2.369 1.00 1.23 C ATOM 699 C6 DA A 25 3.074 -0.274 3.069 1.00 1.49 C ATOM 700 N6 DA A 25 4.403 -0.147 3.015 1.00 1.66 N ATOM 701 N1 DA A 25 2.549 -1.249 3.842 1.00 1.61 N ATOM 702 C2 DA A 25 1.217 -1.374 3.903 1.00 1.51 C ATOM 703 N3 DA A 25 0.276 -0.657 3.293 1.00 1.30 N ATOM 704 C4 DA A 25 0.829 0.303 2.532 1.00 1.14 C ATOM 0 H5' DA A 25 -1.224 5.049 0.929 1.00 0.77 H new ATOM 0 H5'' DA A 25 -2.284 4.712 -0.426 1.00 0.77 H new ATOM 0 H4' DA A 25 -3.520 3.130 0.930 1.00 0.80 H new ATOM 0 H3' DA A 25 -1.587 3.868 3.140 1.00 0.99 H new ATOM 0 H2' DA A 25 -1.394 1.557 3.769 1.00 1.06 H new ATOM 0 H2'' DA A 25 -2.916 1.131 3.012 1.00 1.06 H new ATOM 0 HO3' DA A 25 -3.961 4.327 2.961 1.00 1.16 H new ATOM 0 H1' DA A 25 -1.644 0.402 1.273 1.00 0.90 H new ATOM 0 H8 DA A 25 0.960 2.812 0.502 1.00 0.92 H new ATOM 0 H61 DA A 25 4.998 -0.782 3.547 1.00 1.66 H new ATOM 0 H62 DA A 25 4.822 0.585 2.442 1.00 1.66 H new ATOM 0 H2 DA A 25 0.855 -2.170 4.537 1.00 1.51 H new TER 717 DA A 25 HETATM 718 C17 BO6 A 101 13.544 -7.640 -6.075 1.00 0.54 C HETATM 719 C18 BO6 A 101 14.567 -6.795 -6.497 1.00 0.56 C HETATM 720 N19 BO6 A 101 14.290 -5.751 -7.379 1.00 0.55 N HETATM 721 C31 BO6 A 101 15.378 -4.851 -7.829 1.00 0.62 C HETATM 722 C20 BO6 A 101 12.988 -5.557 -7.837 1.00 0.53 C HETATM 723 C21 BO6 A 101 11.967 -6.403 -7.415 1.00 0.51 C HETATM 724 C16 BO6 A 101 12.231 -7.452 -6.531 1.00 0.51 C HETATM 725 C15 BO6 A 101 11.235 -8.313 -6.086 1.00 0.52 C HETATM 726 C14 BO6 A 101 11.468 -9.797 -5.780 1.00 0.59 C HETATM 727 C7 BO6 A 101 10.575 -10.577 -5.053 1.00 0.58 C HETATM 728 C6 BO6 A 101 9.265 -10.688 -5.497 1.00 0.53 C HETATM 729 C8 BO6 A 101 10.940 -11.246 -3.906 1.00 0.65 C HETATM 730 C9 BO6 A 101 9.999 -12.005 -3.233 1.00 0.67 C HETATM 731 C2 BO6 A 101 8.744 -12.086 -3.694 1.00 0.62 C HETATM 732 N1 BO6 A 101 7.679 -12.738 -3.234 1.00 0.65 N HETATM 733 C3 BO6 A 101 8.379 -11.434 -4.817 1.00 0.56 C HETATM 734 C4 BO6 A 101 7.091 -11.691 -5.038 1.00 0.55 C HETATM 735 C10 BO6 A 101 6.259 -11.287 -6.012 1.00 0.52 C HETATM 736 C5 BO6 A 101 6.657 -12.503 -4.052 1.00 0.60 C HETATM 737 C13 BO6 A 101 5.386 -12.924 -4.024 1.00 0.62 C HETATM 738 C12 BO6 A 101 4.500 -12.530 -5.011 1.00 0.59 C HETATM 739 C11 BO6 A 101 4.934 -11.702 -6.019 1.00 0.54 C HETATM 740 C22 BO6 A 101 4.087 -11.276 -7.037 1.00 0.53 C HETATM 741 C23 BO6 A 101 4.028 -9.826 -7.534 1.00 0.55 C HETATM 742 C24 BO6 A 101 2.937 -9.288 -8.208 1.00 0.49 C HETATM 743 C25 BO6 A 101 1.645 -9.672 -7.820 1.00 0.51 C HETATM 744 C26 BO6 A 101 0.528 -9.155 -8.469 1.00 0.50 C HETATM 745 N27 BO6 A 101 0.687 -8.246 -9.515 1.00 0.48 N HETATM 746 C30 BO6 A 101 -0.501 -7.695 -10.206 1.00 0.54 C HETATM 747 C28 BO6 A 101 1.967 -7.857 -9.907 1.00 0.50 C HETATM 748 C29 BO6 A 101 3.083 -8.376 -9.257 1.00 0.51 C