USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 182 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 27:sc= 0.0119 USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 G O2' : rot -27:sc= 0.088 USER MOD Single : B 1 G O5' : rot 180:sc= 0 USER MOD Single : B 2 C O2' : rot -9:sc= 0.138 USER MOD Single : B 3 C O2' : rot -21:sc= 0.0672 USER MOD Single : B 4 A O2' : rot 180:sc= 0 USER MOD Single : B 6 DT C7 :methyl -30:sc= 0 (180deg=-0.331) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -10.982 -8.823 -3.482 1.00 0.00 O ATOM 2 C5' DG A 1 -11.606 -9.754 -2.621 1.00 0.00 C ATOM 3 C4' DG A 1 -10.952 -9.739 -1.236 1.00 0.00 C ATOM 4 O4' DG A 1 -9.576 -10.041 -1.363 1.00 0.00 O ATOM 5 C3' DG A 1 -11.072 -8.382 -0.529 1.00 0.00 C ATOM 6 O3' DG A 1 -11.598 -8.590 0.775 1.00 0.00 O ATOM 7 C2' DG A 1 -9.628 -7.892 -0.516 1.00 0.00 C ATOM 8 C1' DG A 1 -8.886 -9.225 -0.445 1.00 0.00 C ATOM 9 N9 DG A 1 -7.446 -9.166 -0.793 1.00 0.00 N ATOM 10 C8 DG A 1 -6.856 -9.004 -2.025 1.00 0.00 C ATOM 11 N7 DG A 1 -5.557 -9.114 -2.014 1.00 0.00 N ATOM 12 C5 DG A 1 -5.256 -9.399 -0.688 1.00 0.00 C ATOM 13 C6 DG A 1 -3.997 -9.666 -0.068 1.00 0.00 C ATOM 14 O6 DG A 1 -2.883 -9.658 -0.585 1.00 0.00 O ATOM 15 N1 DG A 1 -4.122 -9.969 1.286 1.00 0.00 N ATOM 16 C2 DG A 1 -5.325 -10.007 1.968 1.00 0.00 C ATOM 17 N2 DG A 1 -5.282 -10.280 3.275 1.00 0.00 N ATOM 18 N3 DG A 1 -6.506 -9.752 1.386 1.00 0.00 N ATOM 19 C4 DG A 1 -6.407 -9.455 0.062 1.00 0.00 C ATOM 0 H5' DG A 1 -11.538 -10.754 -3.049 1.00 0.00 H new ATOM 0 H5'' DG A 1 -12.666 -9.518 -2.530 1.00 0.00 H new ATOM 0 H4' DG A 1 -11.478 -10.482 -0.636 1.00 0.00 H new ATOM 0 H3' DG A 1 -11.738 -7.661 -1.002 1.00 0.00 H new ATOM 0 H2' DG A 1 -9.375 -7.323 -1.411 1.00 0.00 H new ATOM 0 H2'' DG A 1 -9.414 -7.252 0.340 1.00 0.00 H new ATOM 0 HO5' DG A 1 -10.053 -8.689 -3.201 1.00 0.00 H new ATOM 0 H1' DG A 1 -8.881 -9.592 0.581 1.00 0.00 H new ATOM 0 H8 DG A 1 -7.420 -8.803 -2.924 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.271 -10.176 1.809 1.00 0.00 H new ATOM 0 H21 DG A 1 -6.145 -10.318 3.817 1.00 0.00 H new ATOM 0 H22 DG A 1 -4.386 -10.450 3.731 1.00 0.00 H new ATOM 32 P DC A 2 -11.926 -7.375 1.791 1.00 0.00 P ATOM 33 OP1 DC A 2 -13.010 -7.817 2.696 1.00 0.00 O ATOM 34 OP2 DC A 2 -12.091 -6.137 0.999 1.00 0.00 O ATOM 35 O5' DC A 2 -10.570 -7.238 2.656 1.00 0.00 O ATOM 36 C5' DC A 2 -10.245 -8.157 3.683 1.00 0.00 C ATOM 37 C4' DC A 2 -8.918 -7.762 4.339 1.00 0.00 C ATOM 38 O4' DC A 2 -7.855 -7.915 3.412 1.00 0.00 O ATOM 39 C3' DC A 2 -8.912 -6.305 4.828 1.00 0.00 C ATOM 40 O3' DC A 2 -8.432 -6.305 6.166 1.00 0.00 O ATOM 41 C2' DC A 2 -7.948 -5.676 3.826 1.00 0.00 C ATOM 42 C1' DC A 2 -6.975 -6.838 3.633 1.00 0.00 C ATOM 43 N1 DC A 2 -6.018 -6.667 2.506 1.00 0.00 N ATOM 44 C2 DC A 2 -4.665 -6.952 2.712 1.00 0.00 C ATOM 45 O2 DC A 2 -4.243 -7.338 3.799 1.00 0.00 O ATOM 46 N3 DC A 2 -3.801 -6.805 1.669 1.00 0.00 N ATOM 47 C4 DC A 2 -4.226 -6.407 0.463 1.00 0.00 C ATOM 48 N4 DC A 2 -3.331 -6.312 -0.524 1.00 0.00 N ATOM 49 C5 DC A 2 -5.617 -6.153 0.213 1.00 0.00 C ATOM 50 C6 DC A 2 -6.464 -6.302 1.260 1.00 0.00 C ATOM 0 H5' DC A 2 -10.171 -9.164 3.272 1.00 0.00 H new ATOM 0 H5'' DC A 2 -11.038 -8.175 4.430 1.00 0.00 H new ATOM 0 H4' DC A 2 -8.791 -8.419 5.200 1.00 0.00 H new ATOM 0 H3' DC A 2 -9.865 -5.776 4.861 1.00 0.00 H new ATOM 0 H2' DC A 2 -8.441 -5.386 2.898 1.00 0.00 H new ATOM 0 H2'' DC A 2 -7.460 -4.784 4.220 1.00 0.00 H new ATOM 0 H1' DC A 2 -6.306 -6.958 4.485 1.00 0.00 H new ATOM 0 H41 DC A 2 -3.626 -6.011 -1.453 1.00 0.00 H new ATOM 0 H42 DC A 2 -2.352 -6.540 -0.349 1.00 0.00 H new ATOM 0 H5 DC A 2 -5.971 -5.857 -0.763 1.00 0.00 H new ATOM 0 H6 DC A 2 -7.519 -6.129 1.110 1.00 0.00 H new ATOM 62 P DA A 3 -8.289 -4.976 7.074 1.00 0.00 P ATOM 63 OP1 DA A 3 -9.061 -5.184 8.319 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.550 -3.784 6.237 1.00 0.00 O ATOM 65 O5' DA A 3 -6.716 -4.999 7.440 1.00 0.00 O ATOM 66 C5' DA A 3 -6.170 -5.989 8.297 1.00 0.00 C ATOM 67 C4' DA A 3 -4.667 -5.762 8.498 1.00 0.00 C ATOM 68 O4' DA A 3 -4.003 -5.880 7.253 1.00 0.00 O ATOM 69 C3' DA A 3 -4.363 -4.375 9.073 1.00 0.00 C ATOM 70 O3' DA A 3 -3.339 -4.503 10.049 1.00 0.00 O ATOM 71 C2' DA A 3 -3.914 -3.618 7.830 1.00 0.00 C ATOM 72 C1' DA A 3 -3.201 -4.734 7.071 1.00 0.00 C ATOM 73 N9 DA A 3 -3.084 -4.472 5.623 1.00 0.00 N ATOM 74 C8 DA A 3 -4.101 -4.256 4.733 1.00 0.00 C ATOM 75 N7 DA A 3 -3.719 -4.146 3.491 1.00 0.00 N ATOM 76 C5 DA A 3 -2.344 -4.343 3.558 1.00 0.00 C ATOM 77 C6 DA A 3 -1.333 -4.403 2.577 1.00 0.00 C ATOM 78 N6 DA A 3 -1.570 -4.255 1.270 1.00 0.00 N ATOM 79 N1 DA A 3 -0.068 -4.639 2.976 1.00 0.00 N ATOM 80 C2 DA A 3 0.184 -4.807 4.272 1.00 0.00 C ATOM 81 N3 DA A 3 -0.675 -4.785 5.287 1.00 0.00 N ATOM 82 C4 DA A 3 -1.945 -4.546 4.857 1.00 0.00 C ATOM 0 H5' DA A 3 -6.340 -6.978 7.873 1.00 0.00 H new ATOM 0 H5'' DA A 3 -6.679 -5.964 9.261 1.00 0.00 H new ATOM 0 H4' DA A 3 -4.318 -6.514 9.206 1.00 0.00 H new ATOM 0 H3' DA A 3 -5.186 -3.873 9.581 1.00 0.00 H new ATOM 0 H2' DA A 3 -4.753 -3.205 7.270 1.00 0.00 H new ATOM 0 H2'' DA A 3 -3.250 -2.787 8.067 1.00 0.00 H new ATOM 0 H1' DA A 3 -2.184 -4.836 7.448 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.135 -4.183 5.035 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.800 -4.308 0.603 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.521 -4.089 0.940 1.00 0.00 H new ATOM 0 H2 DA A 3 1.217 -4.984 4.532 1.00 0.00 H new ATOM 94 P DG A 4 -2.723 -3.240 10.850 1.00 0.00 P ATOM 95 OP1 DG A 4 -2.282 -3.712 12.181 1.00 0.00 O ATOM 96 OP2 DG A 4 -3.673 -2.110 10.750 1.00 0.00 O ATOM 97 O5' DG A 4 -1.411 -2.874 9.982 1.00 0.00 O ATOM 98 C5' DG A 4 -0.251 -3.686 10.026 1.00 0.00 C ATOM 99 C4' DG A 4 0.853 -3.124 9.126 1.00 0.00 C ATOM 100 O4' DG A 4 0.448 -3.175 7.773 1.00 0.00 O ATOM 101 C3' DG A 4 1.213 -1.662 9.438 1.00 0.00 C ATOM 102 O3' DG A 4 2.510 -1.604 10.020 1.00 0.00 O ATOM 103 C2' DG A 4 1.156 -0.997 8.068 1.00 0.00 C ATOM 104 C1' DG A 4 1.168 -2.167 7.102 1.00 0.00 C ATOM 105 N9 DG A 4 0.528 -1.823 5.822 1.00 0.00 N ATOM 106 C8 DG A 4 -0.800 -1.611 5.578 1.00 0.00 C ATOM 107 N7 DG A 4 -1.090 -1.438 4.318 1.00 0.00 N ATOM 108 C5 DG A 4 0.142 -1.540 3.677 1.00 0.00 C ATOM 109 C6 DG A 4 0.470 -1.497 2.287 1.00 0.00 C ATOM 110 O6 DG A 4 -0.290 -1.338 1.334 1.00 0.00 O ATOM 111 N1 DG A 4 1.834 -1.662 2.057 1.00 0.00 N ATOM 112 C2 DG A 4 2.779 -1.844 3.052 1.00 0.00 C ATOM 113 N2 DG A 4 4.059 -1.950 2.686 1.00 0.00 N ATOM 114 N3 DG A 4 2.470 -1.903 4.355 1.00 0.00 N ATOM 115 C4 DG A 4 1.142 -1.750 4.597 1.00 0.00 C ATOM 0 H5' DG A 4 -0.501 -4.699 9.710 1.00 0.00 H new ATOM 0 H5'' DG A 4 0.111 -3.752 11.052 1.00 0.00 H new ATOM 0 H4' DG A 4 1.729 -3.744 9.315 1.00 0.00 H new ATOM 0 H3' DG A 4 0.552 -1.173 10.153 1.00 0.00 H new ATOM 0 H2' DG A 4 0.257 -0.392 7.953 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.008 -0.336 7.908 1.00 0.00 H new ATOM 0 H1' DG A 4 2.181 -2.474 6.844 1.00 0.00 H new ATOM 0 H8 DG A 4 -1.544 -1.589 6.360 1.00 0.00 H new ATOM 0 H1 DG A 4 2.158 -1.648 1.090 1.00 0.00 H new ATOM 0 H21 DG A 4 4.782 -2.085 3.393 1.00 0.00 H new ATOM 0 H22 DG A 4 4.314 -1.896 1.700 1.00 0.00 H new ATOM 127 P DT A 5 3.202 -0.222 10.518 1.00 0.00 P ATOM 128 OP1 DT A 5 4.349 -0.577 11.383 1.00 0.00 O ATOM 129 OP2 DT A 5 2.140 0.664 11.041 1.00 0.00 O ATOM 130 O5' DT A 5 3.789 0.448 9.166 1.00 0.00 O ATOM 131 C5' DT A 5 4.871 -0.128 8.455 1.00 0.00 C ATOM 132 C4' DT A 5 5.130 0.600 7.127 1.00 0.00 C ATOM 133 O4' DT A 5 4.072 0.397 6.205 1.00 0.00 O ATOM 134 C3' DT A 5 5.283 2.122 7.286 1.00 0.00 C ATOM 135 O3' DT A 5 6.619 2.485 6.959 1.00 0.00 O ATOM 136 C2' DT A 5 4.252 2.692 6.317 1.00 0.00 C ATOM 137 C1' DT A 5 4.046 1.528 5.356 1.00 0.00 C ATOM 138 N1 DT A 5 2.770 1.592 4.593 1.00 0.00 N ATOM 139 C2 DT A 5 2.807 1.500 3.200 1.00 0.00 C ATOM 140 O2 DT A 5 3.846 1.409 2.550 1.00 0.00 O ATOM 141 N3 DT A 5 1.581 1.511 2.552 1.00 0.00 N ATOM 142 C4 DT A 5 0.338 1.629 3.154 1.00 0.00 C ATOM 143 O4 DT A 5 -0.678 1.627 2.464 1.00 0.00 O ATOM 144 C5 DT A 5 0.384 1.712 4.604 1.00 0.00 C ATOM 145 C7 DT A 5 -0.904 1.846 5.393 1.00 0.00 C ATOM 146 C6 DT A 5 1.572 1.683 5.260 1.00 0.00 C ATOM 0 H5' DT A 5 4.659 -1.179 8.259 1.00 0.00 H new ATOM 0 H5'' DT A 5 5.770 -0.094 9.070 1.00 0.00 H new ATOM 0 H4' DT A 5 6.064 0.173 6.763 1.00 0.00 H new ATOM 0 H3' DT A 5 5.112 2.498 8.295 1.00 0.00 H new ATOM 0 H2' DT A 5 3.328 2.973 6.822 1.00 0.00 H new ATOM 0 H2'' DT A 5 4.619 3.582 5.807 1.00 0.00 H new ATOM 0 H1' DT A 5 4.809 1.520 4.577 1.00 0.00 H new ATOM 0 H3 DT A 5 1.595 1.424 1.536 1.00 0.00 H new ATOM 0 H71 DT A 5 -0.782 1.380 6.371 1.00 0.00 H new ATOM 0 H72 DT A 5 -1.144 2.901 5.521 1.00 0.00 H new ATOM 0 H73 DT A 5 -1.713 1.353 4.855 1.00 0.00 H new ATOM 0 H6 DT A 5 1.576 1.733 6.339 1.00 0.00 H new ATOM 159 P DG A 6 7.158 4.012 6.997 1.00 0.00 P ATOM 160 OP1 DG A 6 8.624 3.973 7.197 1.00 0.00 O ATOM 161 OP2 DG A 6 6.311 4.781 7.936 1.00 0.00 O ATOM 162 O5' DG A 6 6.869 4.559 5.501 1.00 0.00 O ATOM 163 C5' DG A 6 7.678 4.185 4.400 1.00 0.00 C ATOM 164 C4' DG A 6 7.172 4.840 3.108 1.00 0.00 C ATOM 165 O4' DG A 6 5.905 4.325 2.750 1.00 0.00 O ATOM 166 C3' DG A 6 7.039 6.366 3.218 1.00 0.00 C ATOM 167 O3' DG A 6 7.914 6.944 2.255 1.00 0.00 O ATOM 168 C2' DG A 6 5.562 6.602 2.923 1.00 0.00 C ATOM 169 C1' DG A 6 5.200 5.369 2.116 1.00 0.00 C ATOM 170 N9 DG A 6 3.761 5.072 2.124 1.00 0.00 N ATOM 171 C8 DG A 6 2.945 4.885 3.202 1.00 0.00 C ATOM 172 N7 DG A 6 1.711 4.597 2.895 1.00 0.00 N ATOM 173 C5 DG A 6 1.714 4.586 1.501 1.00 0.00 C ATOM 174 C6 DG A 6 0.652 4.360 0.575 1.00 0.00 C ATOM 175 O6 DG A 6 -0.514 4.064 0.818 1.00 0.00 O ATOM 176 N1 DG A 6 1.056 4.524 -0.750 1.00 0.00 N ATOM 177 C2 DG A 6 2.344 4.839 -1.140 1.00 0.00 C ATOM 178 N2 DG A 6 2.570 5.006 -2.446 1.00 0.00 N ATOM 179 N3 DG A 6 3.351 5.012 -0.275 1.00 0.00 N ATOM 180 C4 DG A 6 2.968 4.881 1.023 1.00 0.00 C ATOM 0 H5' DG A 6 7.673 3.101 4.290 1.00 0.00 H new ATOM 0 H5'' DG A 6 8.711 4.482 4.584 1.00 0.00 H new ATOM 0 H4' DG A 6 7.921 4.608 2.351 1.00 0.00 H new ATOM 0 H3' DG A 6 7.312 6.807 4.177 1.00 0.00 H new ATOM 0 H2' DG A 6 4.971 6.680 3.836 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.400 7.521 2.359 1.00 0.00 H new ATOM 0 H1' DG A 6 5.456 5.507 1.066 1.00 0.00 H new ATOM 0 H8 DG A 6 3.292 4.968 4.221 1.00 0.00 H new ATOM 0 H1 DG A 6 0.354 4.403 -1.480 1.00 0.00 H new ATOM 0 H21 DG A 6 3.507 5.239 -2.776 1.00 0.00 H new ATOM 0 H22 DG A 6 1.806 4.900 -3.113 1.00 0.00 H new ATOM 192 P DG A 7 7.952 8.522 1.904 1.00 0.00 P ATOM 193 OP1 DG A 7 9.292 8.837 1.358 1.00 0.00 O ATOM 194 OP2 DG A 7 7.441 9.273 3.072 1.00 0.00 O ATOM 195 O5' DG A 7 6.875 8.658 0.703 1.00 0.00 O ATOM 196 C5' DG A 7 7.125 8.136 -0.592 1.00 0.00 C ATOM 197 C4' DG A 7 5.973 8.488 -1.542 1.00 0.00 C ATOM 198 O4' DG A 7 4.788 7.803 -1.168 1.00 0.00 O ATOM 199 C3' DG A 7 5.670 9.994 -1.547 1.00 0.00 C ATOM 200 O3' DG A 7 5.732 10.478 -2.886 1.00 0.00 O ATOM 201 C2' DG A 7 4.249 10.016 -0.993 1.00 0.00 C ATOM 202 C1' DG A 7 3.707 8.666 -1.444 1.00 0.00 C ATOM 203 N9 DG A 7 2.485 8.244 -0.721 1.00 0.00 N ATOM 204 C8 DG A 7 2.339 8.011 0.620 1.00 0.00 C ATOM 205 N7 DG A 7 1.149 7.623 0.978 1.00 0.00 N ATOM 206 C5 DG A 7 0.443 7.584 -0.217 1.00 0.00 C ATOM 207 C6 DG A 7 -0.919 7.232 -0.462 1.00 0.00 C ATOM 208 O6 DG A 7 -1.754 6.832 0.344 1.00 0.00 O ATOM 209 N1 DG A 7 -1.281 7.408 -1.794 1.00 0.00 N ATOM 210 C2 DG A 7 -0.413 7.817 -2.789 1.00 0.00 C ATOM 211 N2 DG A 7 -0.934 8.013 -4.004 1.00 0.00 N ATOM 212 N3 DG A 7 0.885 8.088 -2.571 1.00 0.00 N ATOM 213 C4 DG A 7 1.249 7.967 -1.265 1.00 0.00 C ATOM 0 H5' DG A 7 7.243 7.054 -0.538 1.00 0.00 H new ATOM 0 H5'' DG A 7 8.061 8.540 -0.979 1.00 0.00 H new ATOM 0 H4' DG A 7 6.292 8.184 -2.539 1.00 0.00 H new ATOM 0 H3' DG A 7 6.358 10.618 -0.976 1.00 0.00 H new ATOM 0 H2' DG A 7 4.237 10.118 0.092 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.667 10.844 -1.398 1.00 0.00 H new ATOM 0 H1' DG A 7 3.391 8.677 -2.487 1.00 0.00 H new ATOM 0 H8 DG A 7 3.147 8.139 1.325 1.00 0.00 H new ATOM 0 H1 DG A 7 -2.250 7.223 -2.053 1.00 0.00 H new ATOM 0 H21 DG A 7 -0.336 8.315 -4.773 1.00 0.00 H new ATOM 0 H22 DG A 7 -1.930 7.860 -4.162 1.00 0.00 H new ATOM 225 P DC A 8 5.384 12.009 -3.295 1.00 0.00 P ATOM 226 OP1 DC A 8 6.084 12.311 -4.563 1.00 0.00 O ATOM 227 OP2 DC A 8 5.610 12.870 -2.113 1.00 0.00 O ATOM 228 O5' DC A 8 3.791 11.982 -3.595 1.00 0.00 O ATOM 229 C5' DC A 8 3.265 11.311 -4.726 1.00 0.00 C ATOM 230 C4' DC A 8 1.753 11.521 -4.896 1.00 0.00 C ATOM 231 O4' DC A 8 1.048 10.788 -3.917 1.00 0.00 O ATOM 232 C3' DC A 8 1.269 12.976 -4.761 1.00 0.00 C ATOM 233 O3' DC A 8 0.965 13.516 -6.030 1.00 0.00 O ATOM 234 C2' DC A 8 0.008 12.878 -3.897 1.00 0.00 C ATOM 235 C1' DC A 8 -0.231 11.374 -3.773 1.00 0.00 C ATOM 236 N1 DC A 8 -0.820 11.026 -2.452 1.00 0.00 N ATOM 237 C2 DC A 8 -2.183 10.741 -2.358 1.00 0.00 C ATOM 238 O2 DC A 8 -2.914 10.817 -3.341 1.00 0.00 O ATOM 239 N3 DC A 8 -2.689 10.376 -1.143 1.00 0.00 N ATOM 240 C4 DC A 8 -1.900 10.290 -0.059 1.00 0.00 C ATOM 241 N4 DC A 8 -2.441 9.887 1.094 1.00 0.00 N ATOM 242 C5 DC A 8 -0.495 10.586 -0.133 1.00 0.00 C ATOM 243 C6 DC A 8 -0.015 10.949 -1.346 1.00 0.00 C ATOM 0 H5' DC A 8 3.471 10.244 -4.638 1.00 0.00 H new ATOM 0 H5'' DC A 8 3.778 11.662 -5.621 1.00 0.00 H new ATOM 0 H4' DC A 8 1.558 11.190 -5.916 1.00 0.00 H new ATOM 0 H3' DC A 8 2.023 13.629 -4.321 1.00 0.00 H new ATOM 0 H2' DC A 8 0.154 13.342 -2.922 1.00 0.00 H new ATOM 0 H2'' DC A 8 -0.838 13.381 -4.365 1.00 0.00 H new ATOM 0 HO3' DC A 8 0.657 14.441 -5.927 1.00 0.00 H new ATOM 0 H1' DC A 8 -0.938 11.017 -4.522 1.00 0.00 H new ATOM 0 H41 DC A 8 -1.862 9.814 1.931 1.00 0.00 H new ATOM 0 H42 DC A 8 -3.433 9.653 1.138 1.00 0.00 H new ATOM 0 H5 DC A 8 0.145 10.522 0.735 1.00 0.00 H new ATOM 0 H6 DC A 8 1.034 11.185 -1.445 1.00 0.00 H new TER 256 DC A 8 ATOM 257 O5' G B 1 -12.593 6.451 0.252 1.00 0.00 O ATOM 258 C5' G B 1 -13.407 7.056 -0.730 1.00 0.00 C ATOM 259 C4' G B 1 -12.576 7.823 -1.765 1.00 0.00 C ATOM 260 O4' G B 1 -11.824 8.874 -1.162 1.00 0.00 O ATOM 261 C3' G B 1 -11.558 6.942 -2.496 1.00 0.00 C ATOM 262 O3' G B 1 -12.108 6.187 -3.561 1.00 0.00 O ATOM 263 C2' G B 1 -10.635 8.032 -3.002 1.00 0.00 C ATOM 264 O2' G B 1 -11.212 8.708 -4.103 1.00 0.00 O ATOM 265 C1' G B 1 -10.564 8.986 -1.819 1.00 0.00 C ATOM 266 N9 G B 1 -9.449 8.764 -0.874 1.00 0.00 N ATOM 267 C8 G B 1 -9.467 8.247 0.395 1.00 0.00 C ATOM 268 N7 G B 1 -8.328 8.342 1.027 1.00 0.00 N ATOM 269 C5 G B 1 -7.488 8.971 0.113 1.00 0.00 C ATOM 270 C6 G B 1 -6.106 9.327 0.210 1.00 0.00 C ATOM 271 O6 G B 1 -5.341 9.159 1.157 1.00 0.00 O ATOM 272 N1 G B 1 -5.625 9.920 -0.957 1.00 0.00 N ATOM 273 C2 G B 1 -6.396 10.171 -2.079 1.00 0.00 C ATOM 274 N2 G B 1 -5.796 10.729 -3.132 1.00 0.00 N ATOM 275 N3 G B 1 -7.693 9.846 -2.167 1.00 0.00 N ATOM 276 C4 G B 1 -8.173 9.244 -1.046 1.00 0.00 C ATOM 0 H5' G B 1 -14.109 7.738 -0.250 1.00 0.00 H new ATOM 0 H5'' G B 1 -13.999 6.291 -1.233 1.00 0.00 H new ATOM 0 H4' G B 1 -13.314 8.207 -2.470 1.00 0.00 H new ATOM 0 H3' G B 1 -11.106 6.167 -1.877 1.00 0.00 H new ATOM 0 H2' G B 1 -9.670 7.649 -3.334 1.00 0.00 H new ATOM 0 HO2' G B 1 -11.824 8.104 -4.574 1.00 0.00 H new ATOM 0 HO5' G B 1 -13.157 5.973 0.895 1.00 0.00 H new ATOM 0 H1' G B 1 -10.358 9.987 -2.196 1.00 0.00 H new ATOM 0 H8 G B 1 -10.347 7.800 0.834 1.00 0.00 H new ATOM 0 H1 G B 1 -4.641 10.186 -0.986 1.00 0.00 H new ATOM 0 H21 G B 1 -6.331 10.929 -3.977 1.00 0.00 H new ATOM 0 H22 G B 1 -4.802 10.955 -3.092 1.00 0.00 H new ATOM 289 P C B 2 -11.313 4.937 -4.208 1.00 0.00 P ATOM 290 OP1 C B 2 -12.046 4.515 -5.422 1.00 0.00 O ATOM 291 OP2 C B 2 -11.075 3.960 -3.122 1.00 0.00 O ATOM 292 O5' C B 2 -9.875 5.526 -4.661 1.00 0.00 O ATOM 293 C5' C B 2 -9.663 6.163 -5.911 1.00 0.00 C ATOM 294 C4' C B 2 -8.204 6.630 -6.018 1.00 0.00 C ATOM 295 O4' C B 2 -7.836 7.437 -4.901 1.00 0.00 O ATOM 296 C3' C B 2 -7.227 5.458 -6.006 1.00 0.00 C ATOM 297 O3' C B 2 -7.030 4.820 -7.263 1.00 0.00 O ATOM 298 C2' C B 2 -5.972 6.164 -5.531 1.00 0.00 C ATOM 299 O2' C B 2 -5.237 6.714 -6.609 1.00 0.00 O ATOM 300 C1' C B 2 -6.434 7.342 -4.686 1.00 0.00 C ATOM 301 N1 C B 2 -6.022 7.150 -3.267 1.00 0.00 N ATOM 302 C2 C B 2 -4.666 7.307 -2.959 1.00 0.00 C ATOM 303 O2 C B 2 -3.875 7.784 -3.770 1.00 0.00 O ATOM 304 N3 C B 2 -4.222 6.904 -1.736 1.00 0.00 N ATOM 305 C4 C B 2 -5.062 6.377 -0.835 1.00 0.00 C ATOM 306 N4 C B 2 -4.568 5.989 0.344 1.00 0.00 N ATOM 307 C5 C B 2 -6.473 6.291 -1.094 1.00 0.00 C ATOM 308 C6 C B 2 -6.902 6.701 -2.312 1.00 0.00 C ATOM 0 H5' C B 2 -10.335 7.015 -6.014 1.00 0.00 H new ATOM 0 H5'' C B 2 -9.894 5.475 -6.724 1.00 0.00 H new ATOM 0 H4' C B 2 -8.148 7.182 -6.956 1.00 0.00 H new ATOM 0 H3' C B 2 -7.572 4.625 -5.393 1.00 0.00 H new ATOM 0 H2' C B 2 -5.344 5.449 -4.999 1.00 0.00 H new ATOM 0 HO2' C B 2 -5.615 6.400 -7.457 1.00 0.00 H new ATOM 0 H1' C B 2 -5.974 8.290 -4.965 1.00 0.00 H new ATOM 0 H41 C B 2 -5.186 5.585 1.048 1.00 0.00 H new ATOM 0 H42 C B 2 -3.573 6.097 0.540 1.00 0.00 H new ATOM 0 H5 C B 2 -7.161 5.916 -0.351 1.00 0.00 H new ATOM 0 H6 C B 2 -7.958 6.674 -2.537 1.00 0.00 H new ATOM 320 P C B 3 -6.113 3.483 -7.415 1.00 0.00 P ATOM 321 OP1 C B 3 -6.434 2.874 -8.724 1.00 0.00 O ATOM 322 OP2 C B 3 -6.280 2.681 -6.182 1.00 0.00 O ATOM 323 O5' C B 3 -4.565 3.978 -7.463 1.00 0.00 O ATOM 324 C5' C B 3 -3.968 4.475 -8.653 1.00 0.00 C ATOM 325 C4' C B 3 -2.491 4.864 -8.458 1.00 0.00 C ATOM 326 O4' C B 3 -2.297 5.863 -7.456 1.00 0.00 O ATOM 327 C3' C B 3 -1.614 3.682 -8.047 1.00 0.00 C ATOM 328 O3' C B 3 -1.221 2.869 -9.141 1.00 0.00 O ATOM 329 C2' C B 3 -0.442 4.445 -7.456 1.00 0.00 C ATOM 330 O2' C B 3 0.364 5.015 -8.469 1.00 0.00 O ATOM 331 C1' C B 3 -1.116 5.580 -6.695 1.00 0.00 C ATOM 332 N1 C B 3 -1.421 5.205 -5.282 1.00 0.00 N ATOM 333 C2 C B 3 -0.361 4.959 -4.405 1.00 0.00 C ATOM 334 O2 C B 3 0.801 5.161 -4.748 1.00 0.00 O ATOM 335 N3 C B 3 -0.640 4.499 -3.149 1.00 0.00 N ATOM 336 C4 C B 3 -1.906 4.278 -2.760 1.00 0.00 C ATOM 337 N4 C B 3 -2.146 3.825 -1.525 1.00 0.00 N ATOM 338 C5 C B 3 -3.009 4.593 -3.617 1.00 0.00 C ATOM 339 C6 C B 3 -2.711 5.060 -4.850 1.00 0.00 C ATOM 0 H5' C B 3 -4.526 5.345 -8.999 1.00 0.00 H new ATOM 0 H5'' C B 3 -4.040 3.719 -9.434 1.00 0.00 H new ATOM 0 H4' C B 3 -2.201 5.243 -9.438 1.00 0.00 H new ATOM 0 H3' C B 3 -2.098 2.965 -7.384 1.00 0.00 H new ATOM 0 H2' C B 3 0.200 3.803 -6.853 1.00 0.00 H new ATOM 0 HO2' C B 3 0.216 4.538 -9.312 1.00 0.00 H new ATOM 0 H1' C B 3 -0.473 6.456 -6.603 1.00 0.00 H new ATOM 0 H41 C B 3 -3.105 3.655 -1.222 1.00 0.00 H new ATOM 0 H42 C B 3 -1.370 3.650 -0.886 1.00 0.00 H new ATOM 0 H5 C B 3 -4.031 4.464 -3.293 1.00 0.00 H new ATOM 0 H6 C B 3 -3.518 5.328 -5.516 1.00 0.00 H new ATOM 351 P A B 4 -0.578 1.398 -8.932 1.00 0.00 P ATOM 352 OP1 A B 4 -0.186 0.886 -10.263 1.00 0.00 O ATOM 353 OP2 A B 4 -1.514 0.615 -8.096 1.00 0.00 O ATOM 354 O5' A B 4 0.767 1.630 -8.067 1.00 0.00 O ATOM 355 C5' A B 4 1.980 2.082 -8.641 1.00 0.00 C ATOM 356 C4' A B 4 3.033 2.273 -7.541 1.00 0.00 C ATOM 357 O4' A B 4 2.524 3.023 -6.443 1.00 0.00 O ATOM 358 C3' A B 4 3.516 0.936 -6.991 1.00 0.00 C ATOM 359 O3' A B 4 4.545 0.396 -7.806 1.00 0.00 O ATOM 360 C2' A B 4 3.995 1.387 -5.619 1.00 0.00 C ATOM 361 O2' A B 4 5.317 1.873 -5.639 1.00 0.00 O ATOM 362 C1' A B 4 3.020 2.482 -5.226 1.00 0.00 C ATOM 363 N9 A B 4 1.921 2.013 -4.345 1.00 0.00 N ATOM 364 C8 A B 4 0.588 1.821 -4.622 1.00 0.00 C ATOM 365 N7 A B 4 -0.138 1.519 -3.580 1.00 0.00 N ATOM 366 C5 A B 4 0.772 1.515 -2.530 1.00 0.00 C ATOM 367 C6 A B 4 0.642 1.318 -1.137 1.00 0.00 C ATOM 368 N6 A B 4 -0.531 1.096 -0.534 1.00 0.00 N ATOM 369 N1 A B 4 1.750 1.387 -0.374 1.00 0.00 N ATOM 370 C2 A B 4 2.920 1.643 -0.952 1.00 0.00 C ATOM 371 N3 A B 4 3.172 1.860 -2.241 1.00 0.00 N ATOM 372 C4 A B 4 2.037 1.787 -2.991 1.00 0.00 C ATOM 0 H5' A B 4 1.816 3.022 -9.168 1.00 0.00 H new ATOM 0 H5'' A B 4 2.336 1.361 -9.377 1.00 0.00 H new ATOM 0 H4' A B 4 3.856 2.811 -8.011 1.00 0.00 H new ATOM 0 H3' A B 4 2.782 0.131 -6.957 1.00 0.00 H new ATOM 0 H2' A B 4 4.015 0.558 -4.912 1.00 0.00 H new ATOM 0 HO2' A B 4 5.577 2.151 -4.736 1.00 0.00 H new ATOM 0 H1' A B 4 3.533 3.235 -4.628 1.00 0.00 H new ATOM 0 H8 A B 4 0.177 1.912 -5.616 1.00 0.00 H new ATOM 0 H61 A B 4 -0.567 0.960 0.476 1.00 0.00 H new ATOM 0 H62 A B 4 -1.389 1.063 -1.084 1.00 0.00 H new ATOM 0 H2 A B 4 3.774 1.679 -0.292 1.00 0.00 H new ATOM 384 P DC B 5 4.906 -1.178 -7.826 1.00 0.00 P ATOM 385 OP1 DC B 5 6.034 -1.376 -8.762 1.00 0.00 O ATOM 386 OP2 DC B 5 3.648 -1.930 -8.027 1.00 0.00 O ATOM 387 O5' DC B 5 5.430 -1.484 -6.337 1.00 0.00 O ATOM 388 C5' DC B 5 6.721 -1.111 -5.889 1.00 0.00 C ATOM 389 C4' DC B 5 6.741 -1.313 -4.371 1.00 0.00 C ATOM 390 O4' DC B 5 5.573 -0.737 -3.819 1.00 0.00 O ATOM 391 C3' DC B 5 6.764 -2.795 -4.002 1.00 0.00 C ATOM 392 O3' DC B 5 8.080 -3.170 -3.614 1.00 0.00 O ATOM 393 C2' DC B 5 5.760 -2.875 -2.869 1.00 0.00 C ATOM 394 C1' DC B 5 5.226 -1.465 -2.661 1.00 0.00 C ATOM 395 N1 DC B 5 3.762 -1.526 -2.400 1.00 0.00 N ATOM 396 C2 DC B 5 3.341 -1.812 -1.102 1.00 0.00 C ATOM 397 O2 DC B 5 4.151 -1.959 -0.191 1.00 0.00 O ATOM 398 N3 DC B 5 2.006 -1.935 -0.858 1.00 0.00 N ATOM 399 C4 DC B 5 1.107 -1.823 -1.845 1.00 0.00 C ATOM 400 N4 DC B 5 -0.190 -1.930 -1.539 1.00 0.00 N ATOM 401 C5 DC B 5 1.517 -1.571 -3.198 1.00 0.00 C ATOM 402 C6 DC B 5 2.846 -1.438 -3.419 1.00 0.00 C ATOM 0 H5' DC B 5 6.933 -0.072 -6.143 1.00 0.00 H new ATOM 0 H5'' DC B 5 7.487 -1.719 -6.370 1.00 0.00 H new ATOM 0 H4' DC B 5 7.642 -0.842 -3.978 1.00 0.00 H new ATOM 0 H3' DC B 5 6.506 -3.476 -4.813 1.00 0.00 H new ATOM 0 H2' DC B 5 4.951 -3.563 -3.116 1.00 0.00 H new ATOM 0 H2'' DC B 5 6.231 -3.249 -1.960 1.00 0.00 H new ATOM 0 H1' DC B 5 5.655 -0.964 -1.793 1.00 0.00 H new ATOM 0 H41 DC B 5 -0.895 -1.849 -2.271 1.00 0.00 H new ATOM 0 H42 DC B 5 -0.474 -2.093 -0.573 1.00 0.00 H new ATOM 0 H5 DC B 5 0.799 -1.491 -4.001 1.00 0.00 H new ATOM 0 H6 DC B 5 3.195 -1.258 -4.425 1.00 0.00 H new ATOM 414 P DT B 6 8.498 -4.690 -3.236 1.00 0.00 P ATOM 415 OP1 DT B 6 9.976 -4.770 -3.263 1.00 0.00 O ATOM 416 OP2 DT B 6 7.702 -5.610 -4.078 1.00 0.00 O ATOM 417 O5' DT B 6 8.021 -4.885 -1.705 1.00 0.00 O ATOM 418 C5' DT B 6 8.590 -4.147 -0.634 1.00 0.00 C ATOM 419 C4' DT B 6 7.872 -4.527 0.667 1.00 0.00 C ATOM 420 O4' DT B 6 6.489 -4.276 0.519 1.00 0.00 O ATOM 421 C3' DT B 6 8.069 -6.002 1.038 1.00 0.00 C ATOM 422 O3' DT B 6 8.553 -6.076 2.377 1.00 0.00 O ATOM 423 C2' DT B 6 6.651 -6.543 0.906 1.00 0.00 C ATOM 424 C1' DT B 6 5.811 -5.302 1.199 1.00 0.00 C ATOM 425 N1 DT B 6 4.404 -5.366 0.728 1.00 0.00 N ATOM 426 C2 DT B 6 3.368 -5.103 1.627 1.00 0.00 C ATOM 427 O2 DT B 6 3.531 -4.993 2.840 1.00 0.00 O ATOM 428 N3 DT B 6 2.102 -4.972 1.079 1.00 0.00 N ATOM 429 C4 DT B 6 1.771 -5.105 -0.260 1.00 0.00 C ATOM 430 O4 DT B 6 0.603 -4.978 -0.622 1.00 0.00 O ATOM 431 C5 DT B 6 2.901 -5.382 -1.128 1.00 0.00 C ATOM 432 C7 DT B 6 2.676 -5.520 -2.621 1.00 0.00 C ATOM 433 C6 DT B 6 4.152 -5.498 -0.613 1.00 0.00 C ATOM 0 H5' DT B 6 8.493 -3.077 -0.820 1.00 0.00 H new ATOM 0 H5'' DT B 6 9.656 -4.361 -0.553 1.00 0.00 H new ATOM 0 H4' DT B 6 8.302 -3.924 1.467 1.00 0.00 H new ATOM 0 H3' DT B 6 8.786 -6.554 0.430 1.00 0.00 H new ATOM 0 H2' DT B 6 6.457 -6.941 -0.090 1.00 0.00 H new ATOM 0 H2'' DT B 6 6.453 -7.347 1.615 1.00 0.00 H new ATOM 0 H1' DT B 6 5.719 -5.166 2.276 1.00 0.00 H new ATOM 0 H3 DT B 6 1.341 -4.757 1.723 1.00 0.00 H new ATOM 0 H71 DT B 6 1.674 -5.908 -2.804 1.00 0.00 H new ATOM 0 H72 DT B 6 2.780 -4.545 -3.096 1.00 0.00 H new ATOM 0 H73 DT B 6 3.413 -6.207 -3.038 1.00 0.00 H new ATOM 0 H6 DT B 6 4.975 -5.701 -1.282 1.00 0.00 H new ATOM 446 P DG B 7 8.797 -7.472 3.163 1.00 0.00 P ATOM 447 OP1 DG B 7 9.764 -7.216 4.253 1.00 0.00 O ATOM 448 OP2 DG B 7 9.089 -8.521 2.160 1.00 0.00 O ATOM 449 O5' DG B 7 7.359 -7.808 3.834 1.00 0.00 O ATOM 450 C5' DG B 7 6.886 -7.119 4.979 1.00 0.00 C ATOM 451 C4' DG B 7 5.532 -7.665 5.459 1.00 0.00 C ATOM 452 O4' DG B 7 4.483 -7.315 4.571 1.00 0.00 O ATOM 453 C3' DG B 7 5.508 -9.198 5.587 1.00 0.00 C ATOM 454 O3' DG B 7 5.197 -9.531 6.937 1.00 0.00 O ATOM 455 C2' DG B 7 4.432 -9.614 4.593 1.00 0.00 C ATOM 456 C1' DG B 7 3.548 -8.376 4.588 1.00 0.00 C ATOM 457 N9 DG B 7 2.643 -8.294 3.433 1.00 0.00 N ATOM 458 C8 DG B 7 3.001 -8.365 2.128 1.00 0.00 C ATOM 459 N7 DG B 7 2.031 -8.175 1.280 1.00 0.00 N ATOM 460 C5 DG B 7 0.925 -7.971 2.102 1.00 0.00 C ATOM 461 C6 DG B 7 -0.440 -7.723 1.764 1.00 0.00 C ATOM 462 O6 DG B 7 -0.925 -7.559 0.648 1.00 0.00 O ATOM 463 N1 DG B 7 -1.264 -7.680 2.887 1.00 0.00 N ATOM 464 C2 DG B 7 -0.819 -7.812 4.191 1.00 0.00 C ATOM 465 N2 DG B 7 -1.733 -7.763 5.165 1.00 0.00 N ATOM 466 N3 DG B 7 0.471 -7.993 4.511 1.00 0.00 N ATOM 467 C4 DG B 7 1.288 -8.070 3.426 1.00 0.00 C ATOM 0 H5' DG B 7 6.789 -6.058 4.749 1.00 0.00 H new ATOM 0 H5'' DG B 7 7.618 -7.205 5.782 1.00 0.00 H new ATOM 0 H4' DG B 7 5.388 -7.213 6.440 1.00 0.00 H new ATOM 0 H3' DG B 7 6.448 -9.704 5.368 1.00 0.00 H new ATOM 0 H2' DG B 7 4.843 -9.831 3.607 1.00 0.00 H new ATOM 0 H2'' DG B 7 3.893 -10.504 4.917 1.00 0.00 H new ATOM 0 H1' DG B 7 2.873 -8.368 5.444 1.00 0.00 H new ATOM 0 H8 DG B 7 4.015 -8.564 1.815 1.00 0.00 H new ATOM 0 H1 DG B 7 -2.264 -7.542 2.738 1.00 0.00 H new ATOM 0 H21 DG B 7 -1.446 -7.856 6.139 1.00 0.00 H new ATOM 0 H22 DG B 7 -2.718 -7.632 4.934 1.00 0.00 H new ATOM 479 P DC B 8 4.941 -11.045 7.454 1.00 0.00 P ATOM 480 OP1 DC B 8 5.357 -11.123 8.872 1.00 0.00 O ATOM 481 OP2 DC B 8 5.520 -11.984 6.468 1.00 0.00 O ATOM 482 O5' DC B 8 3.329 -11.184 7.395 1.00 0.00 O ATOM 483 C5' DC B 8 2.498 -10.588 8.379 1.00 0.00 C ATOM 484 C4' DC B 8 1.015 -10.811 8.058 1.00 0.00 C ATOM 485 O4' DC B 8 0.697 -10.330 6.762 1.00 0.00 O ATOM 486 C3' DC B 8 0.616 -12.289 8.083 1.00 0.00 C ATOM 487 O3' DC B 8 -0.049 -12.609 9.288 1.00 0.00 O ATOM 488 C2' DC B 8 -0.320 -12.435 6.884 1.00 0.00 C ATOM 489 C1' DC B 8 -0.450 -11.026 6.302 1.00 0.00 C ATOM 490 N1 DC B 8 -0.508 -11.062 4.813 1.00 0.00 N ATOM 491 C2 DC B 8 -1.736 -10.918 4.160 1.00 0.00 C ATOM 492 O2 DC B 8 -2.785 -10.800 4.789 1.00 0.00 O ATOM 493 N3 DC B 8 -1.748 -10.902 2.794 1.00 0.00 N ATOM 494 C4 DC B 8 -0.617 -11.051 2.086 1.00 0.00 C ATOM 495 N4 DC B 8 -0.673 -10.983 0.753 1.00 0.00 N ATOM 496 C5 DC B 8 0.646 -11.248 2.735 1.00 0.00 C ATOM 497 C6 DC B 8 0.642 -11.242 4.088 1.00 0.00 C ATOM 0 H5' DC B 8 2.704 -9.519 8.435 1.00 0.00 H new ATOM 0 H5'' DC B 8 2.729 -11.009 9.358 1.00 0.00 H new ATOM 0 H4' DC B 8 0.472 -10.270 8.833 1.00 0.00 H new ATOM 0 H3' DC B 8 1.474 -12.960 8.029 1.00 0.00 H new ATOM 0 H2' DC B 8 0.088 -13.129 6.149 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.291 -12.827 7.188 1.00 0.00 H new ATOM 0 HO3' DC B 8 -0.297 -13.557 9.283 1.00 0.00 H new ATOM 0 H1' DC B 8 -1.371 -10.537 6.619 1.00 0.00 H new ATOM 0 H41 DC B 8 0.177 -11.094 0.201 1.00 0.00 H new ATOM 0 H42 DC B 8 -1.566 -10.820 0.288 1.00 0.00 H new ATOM 0 H5 DC B 8 1.556 -11.394 2.172 1.00 0.00 H new ATOM 0 H6 DC B 8 1.575 -11.384 4.614 1.00 0.00 H new TER 510 DC B 8