USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 187 hydrogens (15 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 Set 1.1: A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -0.582 (180deg=-3.49!) USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.117 (180deg=-0.117) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.233 (180deg=-1.6) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 P DG A 1 11.469 5.862 0.840 1.00 8.00 P ATOM 2 OP1 DG A 1 12.864 5.437 1.084 1.00 8.00 O ATOM 3 OP2 DG A 1 11.192 7.121 0.118 1.00 8.00 O ATOM 4 O5' DG A 1 10.701 4.672 0.067 1.00 8.00 O ATOM 5 C5' DG A 1 10.888 3.305 0.399 1.00 8.00 C ATOM 6 C4' DG A 1 10.335 2.961 1.788 1.00 8.00 C ATOM 7 O4' DG A 1 8.956 3.304 1.883 1.00 8.00 O ATOM 8 C3' DG A 1 10.430 1.458 2.093 1.00 8.00 C ATOM 9 O3' DG A 1 11.200 1.259 3.267 1.00 8.00 O ATOM 10 C2' DG A 1 8.973 1.084 2.344 1.00 8.00 C ATOM 11 C1' DG A 1 8.409 2.410 2.818 1.00 8.00 C ATOM 12 N9 DG A 1 6.939 2.371 2.893 1.00 8.00 N ATOM 13 C8 DG A 1 6.196 2.159 4.030 1.00 8.00 C ATOM 14 N7 DG A 1 4.904 2.203 3.865 1.00 8.00 N ATOM 15 C5 DG A 1 4.811 2.384 2.483 1.00 8.00 C ATOM 16 C6 DG A 1 3.633 2.436 1.655 1.00 8.00 C ATOM 17 O6 DG A 1 2.450 2.354 2.003 1.00 8.00 O ATOM 18 N1 DG A 1 3.895 2.562 0.298 1.00 8.00 N ATOM 19 C2 DG A 1 5.153 2.596 -0.228 1.00 8.00 C ATOM 20 N2 DG A 1 5.276 2.647 -1.539 1.00 8.00 N ATOM 21 N3 DG A 1 6.266 2.555 0.511 1.00 8.00 N ATOM 22 C4 DG A 1 6.033 2.454 1.863 1.00 8.00 C ATOM 0 H5' DG A 1 11.951 3.068 0.365 1.00 8.00 H new ATOM 0 H5'' DG A 1 10.398 2.682 -0.349 1.00 8.00 H new ATOM 0 H4' DG A 1 10.939 3.528 2.496 1.00 8.00 H new ATOM 0 H3' DG A 1 10.901 0.870 1.305 1.00 8.00 H new ATOM 0 H2' DG A 1 8.478 0.725 1.441 1.00 8.00 H new ATOM 0 H2'' DG A 1 8.872 0.301 3.096 1.00 8.00 H new ATOM 0 H1' DG A 1 8.669 2.700 3.836 1.00 8.00 H new ATOM 0 H8 DG A 1 6.650 1.970 4.991 1.00 8.00 H new ATOM 0 H1 DG A 1 3.103 2.633 -0.341 1.00 8.00 H new ATOM 0 H21 DG A 1 6.203 2.673 -1.964 1.00 8.00 H new ATOM 0 H22 DG A 1 4.444 2.660 -2.129 1.00 8.00 H new ATOM 34 P DG A 2 11.809 -0.186 3.655 1.00 8.00 P ATOM 35 OP1 DG A 2 12.790 0.013 4.744 1.00 8.00 O ATOM 36 OP2 DG A 2 12.204 -0.867 2.405 1.00 8.00 O ATOM 37 O5' DG A 2 10.543 -0.975 4.263 1.00 8.00 O ATOM 38 C5' DG A 2 10.045 -0.693 5.558 1.00 8.00 C ATOM 39 C4' DG A 2 8.880 -1.615 5.923 1.00 8.00 C ATOM 40 O4' DG A 2 7.667 -1.149 5.349 1.00 8.00 O ATOM 41 C3' DG A 2 9.102 -3.061 5.473 1.00 8.00 C ATOM 42 O3' DG A 2 8.681 -3.895 6.539 1.00 8.00 O ATOM 43 C2' DG A 2 8.156 -3.203 4.288 1.00 8.00 C ATOM 44 C1' DG A 2 7.040 -2.228 4.683 1.00 8.00 C ATOM 45 N9 DG A 2 6.210 -1.673 3.599 1.00 8.00 N ATOM 46 C8 DG A 2 6.567 -1.403 2.310 1.00 8.00 C ATOM 47 N7 DG A 2 5.600 -1.034 1.516 1.00 8.00 N ATOM 48 C5 DG A 2 4.521 -1.024 2.395 1.00 8.00 C ATOM 49 C6 DG A 2 3.127 -0.783 2.121 1.00 8.00 C ATOM 50 O6 DG A 2 2.589 -0.541 1.035 1.00 8.00 O ATOM 51 N1 DG A 2 2.310 -0.879 3.238 1.00 8.00 N ATOM 52 C2 DG A 2 2.753 -1.235 4.477 1.00 8.00 C ATOM 53 N2 DG A 2 1.851 -1.379 5.429 1.00 8.00 N ATOM 54 N3 DG A 2 4.041 -1.481 4.762 1.00 8.00 N ATOM 55 C4 DG A 2 4.874 -1.369 3.677 1.00 8.00 C ATOM 0 H5' DG A 2 9.717 0.345 5.605 1.00 8.00 H new ATOM 0 H5'' DG A 2 10.845 -0.808 6.290 1.00 8.00 H new ATOM 0 H4' DG A 2 8.819 -1.599 7.011 1.00 8.00 H new ATOM 0 H3' DG A 2 10.130 -3.315 5.214 1.00 8.00 H new ATOM 0 H2' DG A 2 8.631 -2.926 3.347 1.00 8.00 H new ATOM 0 H2'' DG A 2 7.790 -4.223 4.173 1.00 8.00 H new ATOM 0 H1' DG A 2 6.340 -2.808 5.284 1.00 8.00 H new ATOM 0 H8 DG A 2 7.588 -1.490 1.968 1.00 8.00 H new ATOM 0 H1 DG A 2 1.318 -0.671 3.125 1.00 8.00 H new ATOM 0 H21 DG A 2 2.141 -1.645 6.370 1.00 8.00 H new ATOM 0 H22 DG A 2 0.864 -1.225 5.224 1.00 8.00 H new ATOM 67 P DT A 3 9.467 -5.245 6.916 1.00 8.00 P ATOM 68 OP1 DT A 3 8.703 -5.917 7.988 1.00 8.00 O ATOM 69 OP2 DT A 3 10.890 -4.908 7.130 1.00 8.00 O ATOM 70 O5' DT A 3 9.328 -6.102 5.570 1.00 8.00 O ATOM 71 C5' DT A 3 10.068 -7.294 5.388 1.00 8.00 C ATOM 72 C4' DT A 3 9.542 -8.069 4.184 1.00 8.00 C ATOM 73 O4' DT A 3 8.224 -8.496 4.451 1.00 8.00 O ATOM 74 C3' DT A 3 9.496 -7.254 2.888 1.00 8.00 C ATOM 75 O3' DT A 3 10.317 -7.839 1.900 1.00 8.00 O ATOM 76 C2' DT A 3 8.057 -7.429 2.434 1.00 8.00 C ATOM 77 C1' DT A 3 7.575 -8.641 3.214 1.00 8.00 C ATOM 78 N1 DT A 3 6.095 -8.692 3.318 1.00 8.00 N ATOM 79 C2 DT A 3 5.514 -9.421 4.369 1.00 8.00 C ATOM 80 O2 DT A 3 6.119 -10.053 5.228 1.00 8.00 O ATOM 81 N3 DT A 3 4.145 -9.485 4.390 1.00 8.00 N ATOM 82 C4 DT A 3 3.295 -8.979 3.434 1.00 8.00 C ATOM 83 O4 DT A 3 2.090 -9.157 3.562 1.00 8.00 O ATOM 84 C5 DT A 3 3.962 -8.296 2.334 1.00 8.00 C ATOM 85 C7 DT A 3 3.149 -7.737 1.193 1.00 8.00 C ATOM 86 C6 DT A 3 5.312 -8.176 2.301 1.00 8.00 C ATOM 0 H5' DT A 3 10.000 -7.912 6.284 1.00 8.00 H new ATOM 0 H5'' DT A 3 11.122 -7.057 5.243 1.00 8.00 H new ATOM 0 H4' DT A 3 10.236 -8.896 4.036 1.00 8.00 H new ATOM 0 H3' DT A 3 9.821 -6.224 3.036 1.00 8.00 H new ATOM 0 H2' DT A 3 7.457 -6.546 2.656 1.00 8.00 H new ATOM 0 H2'' DT A 3 7.994 -7.595 1.358 1.00 8.00 H new ATOM 0 H1' DT A 3 7.814 -9.590 2.734 1.00 8.00 H new ATOM 0 H3 DT A 3 3.716 -9.952 5.189 1.00 8.00 H new ATOM 0 H71 DT A 3 3.654 -6.864 0.780 1.00 8.00 H new ATOM 0 H72 DT A 3 3.042 -8.495 0.417 1.00 8.00 H new ATOM 0 H73 DT A 3 2.163 -7.447 1.556 1.00 8.00 H new ATOM 0 H6 DT A 3 5.782 -7.671 1.470 1.00 8.00 H new ATOM 99 P DT A 4 10.870 -6.986 0.647 1.00 8.00 P ATOM 100 OP1 DT A 4 11.367 -7.970 -0.340 1.00 8.00 O ATOM 101 OP2 DT A 4 11.772 -5.948 1.178 1.00 8.00 O ATOM 102 O5' DT A 4 9.574 -6.246 0.017 1.00 8.00 O ATOM 103 C5' DT A 4 8.870 -6.800 -1.081 1.00 8.00 C ATOM 104 C4' DT A 4 7.641 -5.979 -1.462 1.00 8.00 C ATOM 105 O4' DT A 4 6.605 -5.943 -0.501 1.00 8.00 O ATOM 106 C3' DT A 4 7.959 -4.535 -1.888 1.00 8.00 C ATOM 107 O3' DT A 4 7.514 -4.261 -3.206 1.00 8.00 O ATOM 108 C2' DT A 4 7.046 -3.774 -0.943 1.00 8.00 C ATOM 109 C1' DT A 4 5.899 -4.770 -0.858 1.00 8.00 C ATOM 110 N1 DT A 4 4.871 -4.424 0.136 1.00 8.00 N ATOM 111 C2 DT A 4 3.584 -4.079 -0.290 1.00 8.00 C ATOM 112 O2 DT A 4 3.274 -3.922 -1.463 1.00 8.00 O ATOM 113 N3 DT A 4 2.637 -3.936 0.700 1.00 8.00 N ATOM 114 C4 DT A 4 2.838 -4.170 2.047 1.00 8.00 C ATOM 115 O4 DT A 4 1.883 -4.079 2.805 1.00 8.00 O ATOM 116 C5 DT A 4 4.216 -4.513 2.412 1.00 8.00 C ATOM 117 C7 DT A 4 4.557 -4.821 3.855 1.00 8.00 C ATOM 118 C6 DT A 4 5.177 -4.596 1.450 1.00 8.00 C ATOM 0 H5' DT A 4 8.562 -7.816 -0.835 1.00 8.00 H new ATOM 0 H5'' DT A 4 9.538 -6.868 -1.940 1.00 8.00 H new ATOM 0 H4' DT A 4 7.274 -6.540 -2.321 1.00 8.00 H new ATOM 0 H3' DT A 4 9.024 -4.303 -1.859 1.00 8.00 H new ATOM 0 H2' DT A 4 7.509 -3.583 0.025 1.00 8.00 H new ATOM 0 H2'' DT A 4 6.736 -2.809 -1.344 1.00 8.00 H new ATOM 0 H1' DT A 4 5.315 -4.834 -1.776 1.00 8.00 H new ATOM 0 H3 DT A 4 1.707 -3.631 0.414 1.00 8.00 H new ATOM 0 H71 DT A 4 3.892 -4.262 4.513 1.00 8.00 H new ATOM 0 H72 DT A 4 4.435 -5.889 4.038 1.00 8.00 H new ATOM 0 H73 DT A 4 5.590 -4.534 4.054 1.00 8.00 H new ATOM 0 H6 DT A 4 6.198 -4.802 1.735 1.00 8.00 H new ATOM 131 P DG A 5 8.317 -4.781 -4.502 1.00 8.00 P ATOM 132 OP1 DG A 5 8.228 -6.256 -4.534 1.00 8.00 O ATOM 133 OP2 DG A 5 9.634 -4.110 -4.524 1.00 8.00 O ATOM 134 O5' DG A 5 7.411 -4.188 -5.691 1.00 8.00 O ATOM 135 C5' DG A 5 7.447 -2.812 -6.006 1.00 8.00 C ATOM 136 C4' DG A 5 6.361 -2.458 -7.021 1.00 8.00 C ATOM 137 O4' DG A 5 5.098 -2.522 -6.378 1.00 8.00 O ATOM 138 C3' DG A 5 6.556 -1.019 -7.522 1.00 8.00 C ATOM 139 O3' DG A 5 6.216 -0.964 -8.901 1.00 8.00 O ATOM 140 C2' DG A 5 5.544 -0.281 -6.666 1.00 8.00 C ATOM 141 C1' DG A 5 4.432 -1.321 -6.670 1.00 8.00 C ATOM 142 N9 DG A 5 3.325 -1.078 -5.728 1.00 8.00 N ATOM 143 C8 DG A 5 1.994 -1.044 -6.056 1.00 8.00 C ATOM 144 N7 DG A 5 1.177 -0.865 -5.054 1.00 8.00 N ATOM 145 C5 DG A 5 2.068 -0.787 -3.981 1.00 8.00 C ATOM 146 C6 DG A 5 1.782 -0.651 -2.575 1.00 8.00 C ATOM 147 O6 DG A 5 0.680 -0.532 -2.022 1.00 8.00 O ATOM 148 N1 DG A 5 2.910 -0.655 -1.768 1.00 8.00 N ATOM 149 C2 DG A 5 4.182 -0.774 -2.246 1.00 8.00 C ATOM 150 N2 DG A 5 5.169 -0.748 -1.370 1.00 8.00 N ATOM 151 N3 DG A 5 4.482 -0.896 -3.543 1.00 8.00 N ATOM 152 C4 DG A 5 3.382 -0.914 -4.364 1.00 8.00 C ATOM 0 H5' DG A 5 8.426 -2.552 -6.409 1.00 8.00 H new ATOM 0 H5'' DG A 5 7.309 -2.223 -5.099 1.00 8.00 H new ATOM 0 H4' DG A 5 6.417 -3.155 -7.857 1.00 8.00 H new ATOM 0 H3' DG A 5 7.566 -0.617 -7.444 1.00 8.00 H new ATOM 0 H2' DG A 5 5.916 -0.065 -5.664 1.00 8.00 H new ATOM 0 H2'' DG A 5 5.235 0.669 -7.103 1.00 8.00 H new ATOM 0 H1' DG A 5 3.919 -1.313 -7.632 1.00 8.00 H new ATOM 0 H8 DG A 5 1.646 -1.157 -7.072 1.00 8.00 H new ATOM 0 H1 DG A 5 2.781 -0.564 -0.760 1.00 8.00 H new ATOM 0 H21 DG A 5 6.135 -0.834 -1.687 1.00 8.00 H new ATOM 0 H22 DG A 5 4.966 -0.642 -0.376 1.00 8.00 H new ATOM 164 P DG A 6 6.404 0.364 -9.808 1.00 8.00 P ATOM 165 OP1 DG A 6 6.368 -0.059 -11.223 1.00 8.00 O ATOM 166 OP2 DG A 6 7.557 1.131 -9.287 1.00 8.00 O ATOM 167 O5' DG A 6 5.074 1.232 -9.512 1.00 8.00 O ATOM 168 C5' DG A 6 3.814 0.857 -10.037 1.00 8.00 C ATOM 169 C4' DG A 6 2.663 1.557 -9.308 1.00 8.00 C ATOM 170 O4' DG A 6 2.686 1.294 -7.909 1.00 8.00 O ATOM 171 C3' DG A 6 2.634 3.084 -9.492 1.00 8.00 C ATOM 172 O3' DG A 6 1.342 3.438 -9.955 1.00 8.00 O ATOM 173 C2' DG A 6 2.885 3.591 -8.077 1.00 8.00 C ATOM 174 C1' DG A 6 2.199 2.470 -7.297 1.00 8.00 C ATOM 175 N9 DG A 6 2.422 2.523 -5.840 1.00 8.00 N ATOM 176 C8 DG A 6 3.590 2.595 -5.098 1.00 8.00 C ATOM 177 N7 DG A 6 3.420 2.605 -3.808 1.00 8.00 N ATOM 178 C5 DG A 6 2.032 2.606 -3.706 1.00 8.00 C ATOM 179 C6 DG A 6 1.218 2.623 -2.522 1.00 8.00 C ATOM 180 O6 DG A 6 1.588 2.584 -1.344 1.00 8.00 O ATOM 181 N1 DG A 6 -0.143 2.671 -2.774 1.00 8.00 N ATOM 182 C2 DG A 6 -0.681 2.621 -4.023 1.00 8.00 C ATOM 183 N2 DG A 6 -1.993 2.581 -4.097 1.00 8.00 N ATOM 184 N3 DG A 6 0.047 2.559 -5.149 1.00 8.00 N ATOM 185 C4 DG A 6 1.402 2.571 -4.922 1.00 8.00 C ATOM 0 H5' DG A 6 3.693 -0.223 -9.955 1.00 8.00 H new ATOM 0 H5'' DG A 6 3.775 1.102 -11.098 1.00 8.00 H new ATOM 0 H4' DG A 6 1.769 1.138 -9.770 1.00 8.00 H new ATOM 0 H3' DG A 6 3.353 3.489 -10.204 1.00 8.00 H new ATOM 0 H2' DG A 6 3.946 3.679 -7.843 1.00 8.00 H new ATOM 0 H2'' DG A 6 2.436 4.567 -7.894 1.00 8.00 H new ATOM 0 H1' DG A 6 1.113 2.543 -7.348 1.00 8.00 H new ATOM 0 H8 DG A 6 4.567 2.639 -5.556 1.00 8.00 H new ATOM 0 H1 DG A 6 -0.777 2.748 -1.979 1.00 8.00 H new ATOM 0 H21 DG A 6 -2.452 2.543 -5.007 1.00 8.00 H new ATOM 0 H22 DG A 6 -2.552 2.588 -3.244 1.00 8.00 H new ATOM 197 P DT A 7 0.900 4.969 -10.187 1.00 8.00 P ATOM 198 OP1 DT A 7 -0.132 4.969 -11.244 1.00 8.00 O ATOM 199 OP2 DT A 7 2.111 5.811 -10.311 1.00 8.00 O ATOM 200 O5' DT A 7 0.190 5.293 -8.779 1.00 8.00 O ATOM 201 C5' DT A 7 -0.279 6.594 -8.460 1.00 8.00 C ATOM 202 C4' DT A 7 -1.700 6.554 -7.885 1.00 8.00 C ATOM 203 O4' DT A 7 -2.561 5.950 -8.840 1.00 8.00 O ATOM 204 C3' DT A 7 -1.799 5.732 -6.585 1.00 8.00 C ATOM 205 O3' DT A 7 -2.820 6.216 -5.732 1.00 8.00 O ATOM 206 C2' DT A 7 -2.250 4.382 -7.104 1.00 8.00 C ATOM 207 C1' DT A 7 -3.201 4.867 -8.205 1.00 8.00 C ATOM 208 N1 DT A 7 -3.529 3.824 -9.200 1.00 8.00 N ATOM 209 C2 DT A 7 -4.878 3.641 -9.518 1.00 8.00 C ATOM 210 O2 DT A 7 -5.793 4.300 -9.038 1.00 8.00 O ATOM 211 N3 DT A 7 -5.166 2.640 -10.415 1.00 8.00 N ATOM 212 C4 DT A 7 -4.250 1.804 -11.014 1.00 8.00 C ATOM 213 O4 DT A 7 -4.660 0.944 -11.785 1.00 8.00 O ATOM 214 C5 DT A 7 -2.858 2.063 -10.654 1.00 8.00 C ATOM 215 C7 DT A 7 -1.747 1.231 -11.260 1.00 8.00 C ATOM 216 C6 DT A 7 -2.542 3.056 -9.784 1.00 8.00 C ATOM 0 H5' DT A 7 -0.265 7.216 -9.355 1.00 8.00 H new ATOM 0 H5'' DT A 7 0.394 7.058 -7.738 1.00 8.00 H new ATOM 0 H4' DT A 7 -1.983 7.582 -7.660 1.00 8.00 H new ATOM 0 H3' DT A 7 -0.869 5.747 -6.017 1.00 8.00 H new ATOM 0 H2' DT A 7 -1.427 3.781 -7.491 1.00 8.00 H new ATOM 0 H2'' DT A 7 -2.753 3.783 -6.344 1.00 8.00 H new ATOM 0 H1' DT A 7 -4.152 5.149 -7.753 1.00 8.00 H new ATOM 0 H3 DT A 7 -6.147 2.504 -10.659 1.00 8.00 H new ATOM 0 H71 DT A 7 -0.841 1.832 -11.333 1.00 8.00 H new ATOM 0 H72 DT A 7 -1.557 0.363 -10.629 1.00 8.00 H new ATOM 0 H73 DT A 7 -2.043 0.898 -12.255 1.00 8.00 H new ATOM 0 H6 DT A 7 -1.506 3.247 -9.546 1.00 8.00 H new ATOM 229 P DG A 8 -2.589 7.456 -4.735 1.00 8.00 P ATOM 230 OP1 DG A 8 -3.921 7.929 -4.309 1.00 8.00 O ATOM 231 OP2 DG A 8 -1.635 8.390 -5.368 1.00 8.00 O ATOM 232 O5' DG A 8 -1.860 6.778 -3.467 1.00 8.00 O ATOM 233 C5' DG A 8 -2.588 5.977 -2.548 1.00 8.00 C ATOM 234 C4' DG A 8 -1.950 5.958 -1.159 1.00 8.00 C ATOM 235 O4' DG A 8 -0.737 5.231 -1.177 1.00 8.00 O ATOM 236 C3' DG A 8 -1.687 7.376 -0.652 1.00 8.00 C ATOM 237 O3' DG A 8 -2.090 7.497 0.699 1.00 8.00 O ATOM 238 C2' DG A 8 -0.179 7.520 -0.736 1.00 8.00 C ATOM 239 C1' DG A 8 0.324 6.077 -0.775 1.00 8.00 C ATOM 240 N9 DG A 8 1.411 5.957 -1.761 1.00 8.00 N ATOM 241 C8 DG A 8 1.304 5.959 -3.129 1.00 8.00 C ATOM 242 N7 DG A 8 2.448 5.921 -3.753 1.00 8.00 N ATOM 243 C5 DG A 8 3.386 5.903 -2.720 1.00 8.00 C ATOM 244 C6 DG A 8 4.820 5.871 -2.749 1.00 8.00 C ATOM 245 O6 DG A 8 5.588 5.838 -3.707 1.00 8.00 O ATOM 246 N1 DG A 8 5.391 5.879 -1.493 1.00 8.00 N ATOM 247 C2 DG A 8 4.685 5.922 -0.329 1.00 8.00 C ATOM 248 N2 DG A 8 5.391 5.964 0.775 1.00 8.00 N ATOM 249 N3 DG A 8 3.350 5.944 -0.256 1.00 8.00 N ATOM 250 C4 DG A 8 2.759 5.928 -1.491 1.00 8.00 C ATOM 0 H5' DG A 8 -2.652 4.958 -2.930 1.00 8.00 H new ATOM 0 H5'' DG A 8 -3.608 6.353 -2.471 1.00 8.00 H new ATOM 0 H4' DG A 8 -2.652 5.470 -0.483 1.00 8.00 H new ATOM 0 H3' DG A 8 -2.228 8.129 -1.224 1.00 8.00 H new ATOM 0 H2' DG A 8 0.121 8.072 -1.627 1.00 8.00 H new ATOM 0 H2'' DG A 8 0.220 8.059 0.123 1.00 8.00 H new ATOM 0 H1' DG A 8 0.687 5.795 0.213 1.00 8.00 H new ATOM 0 H8 DG A 8 0.355 5.989 -3.644 1.00 8.00 H new ATOM 0 H1 DG A 8 6.409 5.851 -1.432 1.00 8.00 H new ATOM 0 H21 DG A 8 4.921 5.998 1.680 1.00 8.00 H new ATOM 0 H22 DG A 8 6.410 5.963 0.729 1.00 8.00 H new ATOM 262 P DT A 9 -2.958 8.760 1.209 1.00 8.00 P ATOM 263 OP1 DT A 9 -3.385 9.581 0.057 1.00 8.00 O ATOM 264 OP2 DT A 9 -2.237 9.380 2.341 1.00 8.00 O ATOM 265 O5' DT A 9 -4.240 7.992 1.790 1.00 8.00 O ATOM 266 C5' DT A 9 -5.141 7.280 0.955 1.00 8.00 C ATOM 267 C4' DT A 9 -6.182 6.541 1.800 1.00 8.00 C ATOM 268 O4' DT A 9 -5.516 5.524 2.535 1.00 8.00 O ATOM 269 C3' DT A 9 -6.900 7.444 2.813 1.00 8.00 C ATOM 270 O3' DT A 9 -8.217 6.994 3.082 1.00 8.00 O ATOM 271 C2' DT A 9 -6.087 7.243 4.080 1.00 8.00 C ATOM 272 C1' DT A 9 -5.582 5.809 3.923 1.00 8.00 C ATOM 273 N1 DT A 9 -4.276 5.653 4.604 1.00 8.00 N ATOM 274 C2 DT A 9 -4.289 5.528 5.997 1.00 8.00 C ATOM 275 O2 DT A 9 -5.313 5.412 6.661 1.00 8.00 O ATOM 276 N3 DT A 9 -3.070 5.527 6.631 1.00 8.00 N ATOM 277 C4 DT A 9 -1.842 5.550 6.007 1.00 8.00 C ATOM 278 O4 DT A 9 -0.834 5.485 6.701 1.00 8.00 O ATOM 279 C5 DT A 9 -1.901 5.640 4.548 1.00 8.00 C ATOM 280 C7 DT A 9 -0.631 5.668 3.729 1.00 8.00 C ATOM 281 C6 DT A 9 -3.093 5.702 3.903 1.00 8.00 C ATOM 0 H5' DT A 9 -4.591 6.568 0.340 1.00 8.00 H new ATOM 0 H5'' DT A 9 -5.639 7.971 0.275 1.00 8.00 H new ATOM 0 H4' DT A 9 -6.932 6.150 1.112 1.00 8.00 H new ATOM 0 H3' DT A 9 -6.973 8.470 2.453 1.00 8.00 H new ATOM 0 H2' DT A 9 -5.266 7.957 4.153 1.00 8.00 H new ATOM 0 H2'' DT A 9 -6.695 7.363 4.976 1.00 8.00 H new ATOM 0 H1' DT A 9 -6.258 5.095 4.393 1.00 8.00 H new ATOM 0 H3 DT A 9 -3.075 5.508 7.651 1.00 8.00 H new ATOM 0 H71 DT A 9 -0.816 5.216 2.755 1.00 8.00 H new ATOM 0 H72 DT A 9 -0.308 6.700 3.594 1.00 8.00 H new ATOM 0 H73 DT A 9 0.148 5.108 4.246 1.00 8.00 H new ATOM 0 H6 DT A 9 -3.114 5.791 2.827 1.00 8.00 H new ATOM 294 P DG A 10 -9.484 7.479 2.212 1.00 8.00 P ATOM 295 OP1 DG A 10 -9.283 8.898 1.855 1.00 8.00 O ATOM 296 OP2 DG A 10 -10.704 7.059 2.938 1.00 8.00 O ATOM 297 O5' DG A 10 -9.378 6.611 0.864 1.00 8.00 O ATOM 298 C5' DG A 10 -9.702 5.234 0.844 1.00 8.00 C ATOM 299 C4' DG A 10 -9.426 4.677 -0.545 1.00 8.00 C ATOM 300 O4' DG A 10 -8.024 4.584 -0.754 1.00 8.00 O ATOM 301 C3' DG A 10 -9.990 3.256 -0.707 1.00 8.00 C ATOM 302 O3' DG A 10 -10.689 3.205 -1.943 1.00 8.00 O ATOM 303 C2' DG A 10 -8.724 2.411 -0.754 1.00 8.00 C ATOM 304 C1' DG A 10 -7.836 3.400 -1.487 1.00 8.00 C ATOM 305 N9 DG A 10 -6.408 3.001 -1.573 1.00 8.00 N ATOM 306 C8 DG A 10 -5.637 2.809 -2.709 1.00 8.00 C ATOM 307 N7 DG A 10 -4.366 2.678 -2.481 1.00 8.00 N ATOM 308 C5 DG A 10 -4.305 2.709 -1.097 1.00 8.00 C ATOM 309 C6 DG A 10 -3.145 2.587 -0.255 1.00 8.00 C ATOM 310 O6 DG A 10 -1.963 2.467 -0.595 1.00 8.00 O ATOM 311 N1 DG A 10 -3.432 2.598 1.102 1.00 8.00 N ATOM 312 C2 DG A 10 -4.697 2.668 1.605 1.00 8.00 C ATOM 313 N2 DG A 10 -4.824 2.578 2.916 1.00 8.00 N ATOM 314 N3 DG A 10 -5.796 2.795 0.843 1.00 8.00 N ATOM 315 C4 DG A 10 -5.538 2.827 -0.509 1.00 8.00 C ATOM 0 H5' DG A 10 -10.751 5.091 1.105 1.00 8.00 H new ATOM 0 H5'' DG A 10 -9.112 4.698 1.588 1.00 8.00 H new ATOM 0 H4' DG A 10 -9.900 5.351 -1.258 1.00 8.00 H new ATOM 0 H3' DG A 10 -10.681 2.930 0.071 1.00 8.00 H new ATOM 0 H2' DG A 10 -8.347 2.154 0.236 1.00 8.00 H new ATOM 0 H2'' DG A 10 -8.857 1.475 -1.297 1.00 8.00 H new ATOM 0 H1' DG A 10 -8.106 3.486 -2.540 1.00 8.00 H new ATOM 0 H8 DG A 10 -6.059 2.772 -3.702 1.00 8.00 H new ATOM 0 H1 DG A 10 -2.654 2.551 1.760 1.00 8.00 H new ATOM 0 H21 DG A 10 -5.749 2.625 3.343 1.00 8.00 H new ATOM 0 H22 DG A 10 -3.997 2.462 3.502 1.00 8.00 H new ATOM 327 P DG A 11 -11.514 1.901 -2.426 1.00 8.00 P ATOM 328 OP1 DG A 11 -12.539 2.363 -3.386 1.00 8.00 O ATOM 329 OP2 DG A 11 -11.901 1.153 -1.213 1.00 8.00 O ATOM 330 O5' DG A 11 -10.407 1.043 -3.229 1.00 8.00 O ATOM 331 C5' DG A 11 -9.865 1.501 -4.455 1.00 8.00 C ATOM 332 C4' DG A 11 -8.756 0.573 -4.960 1.00 8.00 C ATOM 333 O4' DG A 11 -7.623 0.656 -4.111 1.00 8.00 O ATOM 334 C3' DG A 11 -9.178 -0.902 -5.051 1.00 8.00 C ATOM 335 O3' DG A 11 -8.951 -1.411 -6.350 1.00 8.00 O ATOM 336 C2' DG A 11 -8.217 -1.604 -4.102 1.00 8.00 C ATOM 337 C1' DG A 11 -7.044 -0.629 -4.076 1.00 8.00 C ATOM 338 N9 DG A 11 -6.126 -0.712 -2.930 1.00 8.00 N ATOM 339 C8 DG A 11 -6.426 -0.748 -1.591 1.00 8.00 C ATOM 340 N7 DG A 11 -5.402 -0.705 -0.794 1.00 8.00 N ATOM 341 C5 DG A 11 -4.343 -0.667 -1.689 1.00 8.00 C ATOM 342 C6 DG A 11 -2.929 -0.668 -1.412 1.00 8.00 C ATOM 343 O6 DG A 11 -2.368 -0.680 -0.311 1.00 8.00 O ATOM 344 N1 DG A 11 -2.134 -0.675 -2.547 1.00 8.00 N ATOM 345 C2 DG A 11 -2.634 -0.735 -3.817 1.00 8.00 C ATOM 346 N2 DG A 11 -1.768 -0.893 -4.796 1.00 8.00 N ATOM 347 N3 DG A 11 -3.947 -0.721 -4.108 1.00 8.00 N ATOM 348 C4 DG A 11 -4.752 -0.685 -2.998 1.00 8.00 C ATOM 0 H5' DG A 11 -9.467 2.508 -4.325 1.00 8.00 H new ATOM 0 H5'' DG A 11 -10.656 1.565 -5.202 1.00 8.00 H new ATOM 0 H4' DG A 11 -8.524 0.916 -5.968 1.00 8.00 H new ATOM 0 H3' DG A 11 -10.234 -1.039 -4.817 1.00 8.00 H new ATOM 0 H2' DG A 11 -8.651 -1.749 -3.113 1.00 8.00 H new ATOM 0 H2'' DG A 11 -7.924 -2.588 -4.469 1.00 8.00 H new ATOM 0 H1' DG A 11 -6.405 -0.877 -4.924 1.00 8.00 H new ATOM 0 H8 DG A 11 -7.441 -0.808 -1.227 1.00 8.00 H new ATOM 0 H1 DG A 11 -1.122 -0.633 -2.428 1.00 8.00 H new ATOM 0 H21 DG A 11 -2.093 -0.944 -5.761 1.00 8.00 H new ATOM 0 H22 DG A 11 -0.772 -0.965 -4.589 1.00 8.00 H new ATOM 360 P DT A 12 -9.874 -2.591 -6.941 1.00 8.00 P ATOM 361 OP1 DT A 12 -9.196 -3.163 -8.121 1.00 8.00 O ATOM 362 OP2 DT A 12 -11.256 -2.073 -7.054 1.00 8.00 O ATOM 363 O5' DT A 12 -9.836 -3.702 -5.764 1.00 8.00 O ATOM 364 C5' DT A 12 -10.967 -4.518 -5.495 1.00 8.00 C ATOM 365 C4' DT A 12 -10.727 -5.561 -4.402 1.00 8.00 C ATOM 366 O4' DT A 12 -9.880 -6.591 -4.873 1.00 8.00 O ATOM 367 C3' DT A 12 -10.179 -4.993 -3.093 1.00 8.00 C ATOM 368 O3' DT A 12 -11.060 -5.360 -2.051 1.00 8.00 O ATOM 369 C2' DT A 12 -8.856 -5.711 -2.883 1.00 8.00 C ATOM 370 C1' DT A 12 -8.750 -6.713 -4.037 1.00 8.00 C ATOM 371 N1 DT A 12 -7.541 -6.549 -4.881 1.00 8.00 N ATOM 372 C2 DT A 12 -6.870 -7.713 -5.268 1.00 8.00 C ATOM 373 O2 DT A 12 -7.191 -8.838 -4.906 1.00 8.00 O ATOM 374 N3 DT A 12 -5.777 -7.547 -6.085 1.00 8.00 N ATOM 375 C4 DT A 12 -5.293 -6.347 -6.564 1.00 8.00 C ATOM 376 O4 DT A 12 -4.297 -6.357 -7.276 1.00 8.00 O ATOM 377 C5 DT A 12 -6.054 -5.170 -6.136 1.00 8.00 C ATOM 378 C7 DT A 12 -5.677 -3.777 -6.611 1.00 8.00 C ATOM 379 C6 DT A 12 -7.130 -5.312 -5.319 1.00 8.00 C ATOM 0 H5' DT A 12 -11.263 -5.027 -6.412 1.00 8.00 H new ATOM 0 H5'' DT A 12 -11.801 -3.881 -5.201 1.00 8.00 H new ATOM 0 H4' DT A 12 -11.713 -5.961 -4.167 1.00 8.00 H new ATOM 0 H3' DT A 12 -10.069 -3.909 -3.112 1.00 8.00 H new ATOM 0 H2' DT A 12 -8.022 -5.009 -2.894 1.00 8.00 H new ATOM 0 H2'' DT A 12 -8.833 -6.218 -1.919 1.00 8.00 H new ATOM 0 H1' DT A 12 -8.686 -7.694 -3.566 1.00 8.00 H new ATOM 0 H3 DT A 12 -5.276 -8.391 -6.363 1.00 8.00 H new ATOM 0 H71 DT A 12 -6.571 -3.155 -6.659 1.00 8.00 H new ATOM 0 H72 DT A 12 -4.964 -3.336 -5.915 1.00 8.00 H new ATOM 0 H73 DT A 12 -5.225 -3.840 -7.601 1.00 8.00 H new ATOM 0 H6 DT A 12 -7.675 -4.434 -5.006 1.00 8.00 H new ATOM 392 P DT A 13 -11.379 -4.383 -0.814 1.00 8.00 P ATOM 393 OP1 DT A 13 -12.514 -4.978 -0.078 1.00 8.00 O ATOM 394 OP2 DT A 13 -11.476 -3.010 -1.347 1.00 8.00 O ATOM 395 O5' DT A 13 -10.061 -4.465 0.118 1.00 8.00 O ATOM 396 C5' DT A 13 -9.844 -5.563 0.991 1.00 8.00 C ATOM 397 C4' DT A 13 -8.540 -5.413 1.784 1.00 8.00 C ATOM 398 O4' DT A 13 -7.427 -5.386 0.909 1.00 8.00 O ATOM 399 C3' DT A 13 -8.479 -4.153 2.677 1.00 8.00 C ATOM 400 O3' DT A 13 -7.856 -4.377 3.932 1.00 8.00 O ATOM 401 C2' DT A 13 -7.495 -3.317 1.879 1.00 8.00 C ATOM 402 C1' DT A 13 -6.556 -4.415 1.447 1.00 8.00 C ATOM 403 N1 DT A 13 -5.426 -4.093 0.564 1.00 8.00 N ATOM 404 C2 DT A 13 -4.125 -4.076 1.081 1.00 8.00 C ATOM 405 O2 DT A 13 -3.859 -4.164 2.271 1.00 8.00 O ATOM 406 N3 DT A 13 -3.104 -3.985 0.162 1.00 8.00 N ATOM 407 C4 DT A 13 -3.249 -3.997 -1.209 1.00 8.00 C ATOM 408 O4 DT A 13 -2.250 -3.927 -1.912 1.00 8.00 O ATOM 409 C5 DT A 13 -4.635 -4.097 -1.668 1.00 8.00 C ATOM 410 C7 DT A 13 -4.939 -4.190 -3.142 1.00 8.00 C ATOM 411 C6 DT A 13 -5.657 -4.119 -0.769 1.00 8.00 C ATOM 0 H5' DT A 13 -9.813 -6.486 0.413 1.00 8.00 H new ATOM 0 H5'' DT A 13 -10.682 -5.648 1.683 1.00 8.00 H new ATOM 0 H4' DT A 13 -8.511 -6.282 2.441 1.00 8.00 H new ATOM 0 H3' DT A 13 -9.471 -3.753 2.884 1.00 8.00 H new ATOM 0 H2' DT A 13 -7.962 -2.805 1.037 1.00 8.00 H new ATOM 0 H2'' DT A 13 -7.003 -2.554 2.482 1.00 8.00 H new ATOM 0 H1' DT A 13 -5.972 -4.736 2.309 1.00 8.00 H new ATOM 0 H3 DT A 13 -2.156 -3.901 0.528 1.00 8.00 H new ATOM 0 H71 DT A 13 -4.170 -3.662 -3.706 1.00 8.00 H new ATOM 0 H72 DT A 13 -4.956 -5.237 -3.445 1.00 8.00 H new ATOM 0 H73 DT A 13 -5.911 -3.739 -3.342 1.00 8.00 H new ATOM 0 H6 DT A 13 -6.675 -4.158 -1.128 1.00 8.00 H new ATOM 424 P DG A 14 -8.657 -4.854 5.242 1.00 8.00 P ATOM 425 OP1 DG A 14 -8.627 -6.331 5.285 1.00 8.00 O ATOM 426 OP2 DG A 14 -9.946 -4.129 5.289 1.00 8.00 O ATOM 427 O5' DG A 14 -7.709 -4.275 6.410 1.00 8.00 O ATOM 428 C5' DG A 14 -7.694 -2.891 6.713 1.00 8.00 C ATOM 429 C4' DG A 14 -6.475 -2.539 7.564 1.00 8.00 C ATOM 430 O4' DG A 14 -5.285 -2.752 6.824 1.00 8.00 O ATOM 431 C3' DG A 14 -6.489 -1.072 8.016 1.00 8.00 C ATOM 432 O3' DG A 14 -6.314 -1.023 9.423 1.00 8.00 O ATOM 433 C2' DG A 14 -5.250 -0.538 7.323 1.00 8.00 C ATOM 434 C1' DG A 14 -4.388 -1.775 7.277 1.00 8.00 C ATOM 435 N9 DG A 14 -3.232 -1.571 6.388 1.00 8.00 N ATOM 436 C8 DG A 14 -1.934 -1.409 6.781 1.00 8.00 C ATOM 437 N7 DG A 14 -1.069 -1.246 5.814 1.00 8.00 N ATOM 438 C5 DG A 14 -1.911 -1.219 4.700 1.00 8.00 C ATOM 439 C6 DG A 14 -1.588 -0.986 3.314 1.00 8.00 C ATOM 440 O6 DG A 14 -0.478 -0.792 2.807 1.00 8.00 O ATOM 441 N1 DG A 14 -2.692 -0.945 2.475 1.00 8.00 N ATOM 442 C2 DG A 14 -3.978 -1.057 2.915 1.00 8.00 C ATOM 443 N2 DG A 14 -4.943 -0.855 2.042 1.00 8.00 N ATOM 444 N3 DG A 14 -4.313 -1.265 4.188 1.00 8.00 N ATOM 445 C4 DG A 14 -3.238 -1.363 5.031 1.00 8.00 C ATOM 0 H5' DG A 14 -8.606 -2.620 7.245 1.00 8.00 H new ATOM 0 H5'' DG A 14 -7.679 -2.311 5.790 1.00 8.00 H new ATOM 0 H4' DG A 14 -6.511 -3.183 8.443 1.00 8.00 H new ATOM 0 H3' DG A 14 -7.403 -0.524 7.785 1.00 8.00 H new ATOM 0 H2' DG A 14 -5.469 -0.151 6.328 1.00 8.00 H new ATOM 0 H2'' DG A 14 -4.781 0.271 7.883 1.00 8.00 H new ATOM 0 H1' DG A 14 -3.935 -2.053 8.229 1.00 8.00 H new ATOM 0 H8 DG A 14 -1.642 -1.415 7.821 1.00 8.00 H new ATOM 0 H1 DG A 14 -2.533 -0.825 1.475 1.00 8.00 H new ATOM 0 H21 DG A 14 -5.918 -0.930 2.333 1.00 8.00 H new ATOM 0 H22 DG A 14 -4.716 -0.624 1.075 1.00 8.00 H new ATOM 457 P DG A 15 -6.443 0.344 10.280 1.00 8.00 P ATOM 458 OP1 DG A 15 -6.654 -0.042 11.689 1.00 8.00 O ATOM 459 OP2 DG A 15 -7.408 1.234 9.596 1.00 8.00 O ATOM 460 O5' DG A 15 -4.978 1.019 10.181 1.00 8.00 O ATOM 461 C5' DG A 15 -3.870 0.406 10.815 1.00 8.00 C ATOM 462 C4' DG A 15 -2.549 1.123 10.528 1.00 8.00 C ATOM 463 O4' DG A 15 -2.195 0.901 9.173 1.00 8.00 O ATOM 464 C3' DG A 15 -2.585 2.642 10.778 1.00 8.00 C ATOM 465 O3' DG A 15 -1.428 3.077 11.472 1.00 8.00 O ATOM 466 C2' DG A 15 -2.548 3.224 9.375 1.00 8.00 C ATOM 467 C1' DG A 15 -1.773 2.135 8.634 1.00 8.00 C ATOM 468 N9 DG A 15 -1.929 2.139 7.180 1.00 8.00 N ATOM 469 C8 DG A 15 -3.080 2.268 6.456 1.00 8.00 C ATOM 470 N7 DG A 15 -2.931 2.274 5.163 1.00 8.00 N ATOM 471 C5 DG A 15 -1.545 2.155 5.052 1.00 8.00 C ATOM 472 C6 DG A 15 -0.730 2.161 3.870 1.00 8.00 C ATOM 473 O6 DG A 15 -1.096 2.250 2.692 1.00 8.00 O ATOM 474 N1 DG A 15 0.630 2.070 4.121 1.00 8.00 N ATOM 475 C2 DG A 15 1.167 1.976 5.369 1.00 8.00 C ATOM 476 N2 DG A 15 2.479 1.883 5.456 1.00 8.00 N ATOM 477 N3 DG A 15 0.438 1.980 6.494 1.00 8.00 N ATOM 478 C4 DG A 15 -0.912 2.077 6.266 1.00 8.00 C ATOM 0 H5' DG A 15 -3.795 -0.630 10.483 1.00 8.00 H new ATOM 0 H5'' DG A 15 -4.040 0.385 11.891 1.00 8.00 H new ATOM 0 H4' DG A 15 -1.818 0.709 11.223 1.00 8.00 H new ATOM 0 H3' DG A 15 -3.448 2.938 11.374 1.00 8.00 H new ATOM 0 H2' DG A 15 -3.546 3.374 8.963 1.00 8.00 H new ATOM 0 H2'' DG A 15 -2.041 4.188 9.341 1.00 8.00 H new ATOM 0 HO3' DG A 15 -1.477 4.045 11.615 1.00 8.00 H new ATOM 0 H1' DG A 15 -0.709 2.320 8.783 1.00 8.00 H new ATOM 0 H8 DG A 15 -4.049 2.359 6.925 1.00 8.00 H new ATOM 0 H1 DG A 15 1.266 2.074 3.324 1.00 8.00 H new ATOM 0 H21 DG A 15 2.926 1.811 6.370 1.00 8.00 H new ATOM 0 H22 DG A 15 3.048 1.883 4.609 1.00 8.00 H new TER 491 DG A 15 HETATM 492 C4 1CF A 101 4.089 5.864 5.869 1.00 8.00 C HETATM 493 C5 1CF A 101 4.119 6.214 4.376 1.00 8.00 C HETATM 494 C6 1CF A 101 2.950 5.661 3.573 1.00 8.00 C HETATM 495 C11 1CF A 101 9.455 6.513 2.356 1.00 8.00 C HETATM 496 C12 1CF A 101 8.911 6.345 3.767 1.00 8.00 C HETATM 497 C3 1CF A 101 5.327 6.453 6.560 1.00 8.00 C HETATM 498 O11 1CF A 101 10.727 5.925 2.255 1.00 8.00 O HETATM 499 C1 1CF A 101 6.577 6.196 4.375 1.00 8.00 C HETATM 500 C2 1CF A 101 6.615 5.937 5.893 1.00 8.00 C HETATM 501 O2 1CF A 101 7.762 6.638 6.434 1.00 8.00 O HETATM 502 O3 1CF A 101 5.332 6.078 7.949 1.00 8.00 O HETATM 503 O4 1CF A 101 4.121 4.431 6.009 1.00 8.00 O HETATM 504 O5 1CF A 101 5.340 5.661 3.790 1.00 8.00 O HETATM 505 O1 1CF A 101 7.728 5.562 3.741 1.00 8.00 O