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 Single : A 3 DT C7 :methyl 150:sc= -0.209 (180deg=-0.209) USER MOD Single : A 4 DT C7 :methyl -30:sc= -1.2 (180deg=-2.09!) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.334 (180deg=-0.334) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.0438 (180deg=-0.655) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 P DG A 1 9.885 5.700 -6.440 1.00 8.00 P ATOM 2 OP1 DG A 1 10.988 5.718 -5.457 1.00 8.00 O ATOM 3 OP2 DG A 1 10.180 5.930 -7.868 1.00 8.00 O ATOM 4 O5' DG A 1 9.081 4.299 -6.337 1.00 8.00 O ATOM 5 C5' DG A 1 9.563 3.162 -5.631 1.00 8.00 C ATOM 6 C4' DG A 1 9.523 3.350 -4.114 1.00 8.00 C ATOM 7 O4' DG A 1 8.204 3.607 -3.667 1.00 8.00 O ATOM 8 C3' DG A 1 9.989 2.107 -3.336 1.00 8.00 C ATOM 9 O3' DG A 1 11.198 2.426 -2.668 1.00 8.00 O ATOM 10 C2' DG A 1 8.853 1.882 -2.339 1.00 8.00 C ATOM 11 C1' DG A 1 8.237 3.266 -2.308 1.00 8.00 C ATOM 12 N9 DG A 1 6.936 3.298 -1.628 1.00 8.00 N ATOM 13 C8 DG A 1 6.707 3.747 -0.352 1.00 8.00 C ATOM 14 N7 DG A 1 5.453 3.780 0.002 1.00 8.00 N ATOM 15 C5 DG A 1 4.839 3.200 -1.108 1.00 8.00 C ATOM 16 C6 DG A 1 3.454 2.846 -1.293 1.00 8.00 C ATOM 17 O6 DG A 1 2.506 3.044 -0.528 1.00 8.00 O ATOM 18 N1 DG A 1 3.196 2.160 -2.474 1.00 8.00 N ATOM 19 C2 DG A 1 4.160 1.838 -3.385 1.00 8.00 C ATOM 20 N2 DG A 1 3.795 1.156 -4.453 1.00 8.00 N ATOM 21 N3 DG A 1 5.445 2.172 -3.255 1.00 8.00 N ATOM 22 C4 DG A 1 5.726 2.848 -2.092 1.00 8.00 C ATOM 0 H5' DG A 1 10.587 2.954 -5.941 1.00 8.00 H new ATOM 0 H5'' DG A 1 8.966 2.291 -5.901 1.00 8.00 H new ATOM 0 H4' DG A 1 10.195 4.186 -3.923 1.00 8.00 H new ATOM 0 H3' DG A 1 10.181 1.227 -3.950 1.00 8.00 H new ATOM 0 H2' DG A 1 8.149 1.122 -2.677 1.00 8.00 H new ATOM 0 H2'' DG A 1 9.216 1.567 -1.361 1.00 8.00 H new ATOM 0 H1' DG A 1 8.799 3.991 -1.719 1.00 8.00 H new ATOM 0 H8 DG A 1 7.505 4.050 0.309 1.00 8.00 H new ATOM 0 H1 DG A 1 2.234 1.882 -2.670 1.00 8.00 H new ATOM 0 H21 DG A 1 4.489 0.898 -5.155 1.00 8.00 H new ATOM 0 H22 DG A 1 2.819 0.887 -4.577 1.00 8.00 H new ATOM 34 P DG A 2 12.119 1.310 -1.953 1.00 8.00 P ATOM 35 OP1 DG A 2 13.441 1.920 -1.697 1.00 8.00 O ATOM 36 OP2 DG A 2 12.001 0.062 -2.733 1.00 8.00 O ATOM 37 O5' DG A 2 11.379 1.100 -0.537 1.00 8.00 O ATOM 38 C5' DG A 2 11.323 2.133 0.431 1.00 8.00 C ATOM 39 C4' DG A 2 10.614 1.695 1.716 1.00 8.00 C ATOM 40 O4' DG A 2 9.198 1.758 1.589 1.00 8.00 O ATOM 41 C3' DG A 2 10.996 0.273 2.131 1.00 8.00 C ATOM 42 O3' DG A 2 11.174 0.274 3.540 1.00 8.00 O ATOM 43 C2' DG A 2 9.770 -0.526 1.700 1.00 8.00 C ATOM 44 C1' DG A 2 8.648 0.494 1.932 1.00 8.00 C ATOM 45 N9 DG A 2 7.385 0.336 1.187 1.00 8.00 N ATOM 46 C8 DG A 2 7.188 -0.197 -0.056 1.00 8.00 C ATOM 47 N7 DG A 2 5.946 -0.274 -0.451 1.00 8.00 N ATOM 48 C5 DG A 2 5.280 0.280 0.637 1.00 8.00 C ATOM 49 C6 DG A 2 3.865 0.402 0.870 1.00 8.00 C ATOM 50 O6 DG A 2 2.934 0.054 0.140 1.00 8.00 O ATOM 51 N1 DG A 2 3.541 0.954 2.104 1.00 8.00 N ATOM 52 C2 DG A 2 4.462 1.324 3.039 1.00 8.00 C ATOM 53 N2 DG A 2 4.007 1.768 4.197 1.00 8.00 N ATOM 54 N3 DG A 2 5.786 1.219 2.853 1.00 8.00 N ATOM 55 C4 DG A 2 6.132 0.679 1.638 1.00 8.00 C ATOM 0 H5' DG A 2 10.804 2.994 0.009 1.00 8.00 H new ATOM 0 H5'' DG A 2 12.336 2.457 0.671 1.00 8.00 H new ATOM 0 H4' DG A 2 10.944 2.395 2.484 1.00 8.00 H new ATOM 0 H3' DG A 2 11.912 -0.128 1.698 1.00 8.00 H new ATOM 0 H2' DG A 2 9.830 -0.841 0.658 1.00 8.00 H new ATOM 0 H2'' DG A 2 9.636 -1.427 2.298 1.00 8.00 H new ATOM 0 H1' DG A 2 8.345 0.358 2.970 1.00 8.00 H new ATOM 0 H8 DG A 2 8.008 -0.533 -0.673 1.00 8.00 H new ATOM 0 H1 DG A 2 2.554 1.091 2.323 1.00 8.00 H new ATOM 0 H21 DG A 2 4.661 2.056 4.925 1.00 8.00 H new ATOM 0 H22 DG A 2 3.002 1.823 4.363 1.00 8.00 H new ATOM 67 P DT A 3 12.220 -0.719 4.247 1.00 8.00 P ATOM 68 OP1 DT A 3 12.261 -0.415 5.694 1.00 8.00 O ATOM 69 OP2 DT A 3 13.473 -0.728 3.462 1.00 8.00 O ATOM 70 O5' DT A 3 11.492 -2.126 4.059 1.00 8.00 O ATOM 71 C5' DT A 3 12.175 -3.326 4.344 1.00 8.00 C ATOM 72 C4' DT A 3 11.286 -4.531 4.057 1.00 8.00 C ATOM 73 O4' DT A 3 10.184 -4.552 4.938 1.00 8.00 O ATOM 74 C3' DT A 3 10.651 -4.526 2.673 1.00 8.00 C ATOM 75 O3' DT A 3 11.408 -5.145 1.657 1.00 8.00 O ATOM 76 C2' DT A 3 9.408 -5.364 2.915 1.00 8.00 C ATOM 77 C1' DT A 3 9.286 -5.511 4.433 1.00 8.00 C ATOM 78 N1 DT A 3 7.908 -5.366 4.977 1.00 8.00 N ATOM 79 C2 DT A 3 7.763 -5.209 6.366 1.00 8.00 C ATOM 80 O2 DT A 3 8.680 -5.177 7.178 1.00 8.00 O ATOM 81 N3 DT A 3 6.480 -5.150 6.854 1.00 8.00 N ATOM 82 C4 DT A 3 5.328 -5.311 6.120 1.00 8.00 C ATOM 83 O4 DT A 3 4.249 -5.245 6.698 1.00 8.00 O ATOM 84 C5 DT A 3 5.545 -5.571 4.703 1.00 8.00 C ATOM 85 C7 DT A 3 4.364 -5.836 3.795 1.00 8.00 C ATOM 86 C6 DT A 3 6.796 -5.589 4.181 1.00 8.00 C ATOM 0 H5' DT A 3 12.483 -3.336 5.389 1.00 8.00 H new ATOM 0 H5'' DT A 3 13.083 -3.386 3.743 1.00 8.00 H new ATOM 0 H4' DT A 3 11.958 -5.382 4.162 1.00 8.00 H new ATOM 0 H3' DT A 3 10.512 -3.506 2.316 1.00 8.00 H new ATOM 0 H2' DT A 3 8.525 -4.881 2.498 1.00 8.00 H new ATOM 0 H2'' DT A 3 9.495 -6.339 2.435 1.00 8.00 H new ATOM 0 H1' DT A 3 9.528 -6.527 4.744 1.00 8.00 H new ATOM 0 H3 DT A 3 6.372 -4.970 7.852 1.00 8.00 H new ATOM 0 H71 DT A 3 4.595 -5.490 2.787 1.00 8.00 H new ATOM 0 H72 DT A 3 4.155 -6.906 3.773 1.00 8.00 H new ATOM 0 H73 DT A 3 3.490 -5.303 4.170 1.00 8.00 H new ATOM 0 H6 DT A 3 6.928 -5.780 3.126 1.00 8.00 H new ATOM 99 P DT A 4 11.262 -4.663 0.122 1.00 8.00 P ATOM 100 OP1 DT A 4 12.025 -5.613 -0.713 1.00 8.00 O ATOM 101 OP2 DT A 4 11.560 -3.220 0.084 1.00 8.00 O ATOM 102 O5' DT A 4 9.688 -4.835 -0.215 1.00 8.00 O ATOM 103 C5' DT A 4 9.113 -6.110 -0.434 1.00 8.00 C ATOM 104 C4' DT A 4 7.613 -6.025 -0.709 1.00 8.00 C ATOM 105 O4' DT A 4 6.898 -5.484 0.384 1.00 8.00 O ATOM 106 C3' DT A 4 7.272 -5.229 -1.983 1.00 8.00 C ATOM 107 O3' DT A 4 6.261 -5.834 -2.776 1.00 8.00 O ATOM 108 C2' DT A 4 6.673 -3.995 -1.338 1.00 8.00 C ATOM 109 C1' DT A 4 5.922 -4.645 -0.190 1.00 8.00 C ATOM 110 N1 DT A 4 5.460 -3.672 0.810 1.00 8.00 N ATOM 111 C2 DT A 4 4.091 -3.459 0.965 1.00 8.00 C ATOM 112 O2 DT A 4 3.241 -3.869 0.183 1.00 8.00 O ATOM 113 N3 DT A 4 3.709 -2.768 2.090 1.00 8.00 N ATOM 114 C4 DT A 4 4.560 -2.279 3.058 1.00 8.00 C ATOM 115 O4 DT A 4 4.068 -1.720 4.030 1.00 8.00 O ATOM 116 C5 DT A 4 5.984 -2.495 2.801 1.00 8.00 C ATOM 117 C7 DT A 4 6.986 -2.024 3.837 1.00 8.00 C ATOM 118 C6 DT A 4 6.385 -3.159 1.677 1.00 8.00 C ATOM 0 H5' DT A 4 9.286 -6.740 0.439 1.00 8.00 H new ATOM 0 H5'' DT A 4 9.609 -6.591 -1.277 1.00 8.00 H new ATOM 0 H4' DT A 4 7.301 -7.058 -0.863 1.00 8.00 H new ATOM 0 H3' DT A 4 8.124 -5.105 -2.651 1.00 8.00 H new ATOM 0 H2' DT A 4 7.432 -3.292 -0.996 1.00 8.00 H new ATOM 0 H2'' DT A 4 6.014 -3.449 -2.013 1.00 8.00 H new ATOM 0 H1' DT A 4 5.022 -5.155 -0.532 1.00 8.00 H new ATOM 0 H3 DT A 4 2.711 -2.603 2.220 1.00 8.00 H new ATOM 0 H71 DT A 4 6.587 -1.155 4.360 1.00 8.00 H new ATOM 0 H72 DT A 4 7.172 -2.824 4.553 1.00 8.00 H new ATOM 0 H73 DT A 4 7.920 -1.754 3.344 1.00 8.00 H new ATOM 0 H6 DT A 4 7.438 -3.280 1.472 1.00 8.00 H new ATOM 131 P DG A 5 6.552 -7.108 -3.722 1.00 8.00 P ATOM 132 OP1 DG A 5 6.508 -8.315 -2.870 1.00 8.00 O ATOM 133 OP2 DG A 5 7.751 -6.819 -4.536 1.00 8.00 O ATOM 134 O5' DG A 5 5.264 -7.111 -4.692 1.00 8.00 O ATOM 135 C5' DG A 5 5.077 -6.104 -5.672 1.00 8.00 C ATOM 136 C4' DG A 5 3.696 -6.239 -6.314 1.00 8.00 C ATOM 137 O4' DG A 5 2.706 -5.841 -5.381 1.00 8.00 O ATOM 138 C3' DG A 5 3.561 -5.311 -7.533 1.00 8.00 C ATOM 139 O3' DG A 5 2.753 -5.964 -8.503 1.00 8.00 O ATOM 140 C2' DG A 5 2.842 -4.113 -6.927 1.00 8.00 C ATOM 141 C1' DG A 5 1.898 -4.877 -6.010 1.00 8.00 C ATOM 142 N9 DG A 5 1.186 -4.089 -4.997 1.00 8.00 N ATOM 143 C8 DG A 5 -0.158 -4.147 -4.755 1.00 8.00 C ATOM 144 N7 DG A 5 -0.565 -3.467 -3.720 1.00 8.00 N ATOM 145 C5 DG A 5 0.630 -2.907 -3.268 1.00 8.00 C ATOM 146 C6 DG A 5 0.851 -2.042 -2.138 1.00 8.00 C ATOM 147 O6 DG A 5 0.029 -1.609 -1.326 1.00 8.00 O ATOM 148 N1 DG A 5 2.168 -1.635 -1.991 1.00 8.00 N ATOM 149 C2 DG A 5 3.176 -2.032 -2.812 1.00 8.00 C ATOM 150 N2 DG A 5 4.381 -1.552 -2.568 1.00 8.00 N ATOM 151 N3 DG A 5 3.011 -2.852 -3.855 1.00 8.00 N ATOM 152 C4 DG A 5 1.711 -3.258 -4.034 1.00 8.00 C ATOM 0 H5' DG A 5 5.850 -6.183 -6.436 1.00 8.00 H new ATOM 0 H5'' DG A 5 5.179 -5.119 -5.216 1.00 8.00 H new ATOM 0 H4' DG A 5 3.571 -7.278 -6.619 1.00 8.00 H new ATOM 0 H3' DG A 5 4.493 -5.041 -8.030 1.00 8.00 H new ATOM 0 H2' DG A 5 3.511 -3.444 -6.387 1.00 8.00 H new ATOM 0 H2'' DG A 5 2.319 -3.510 -7.669 1.00 8.00 H new ATOM 0 H1' DG A 5 1.089 -5.280 -6.620 1.00 8.00 H new ATOM 0 H8 DG A 5 -0.834 -4.715 -5.377 1.00 8.00 H new ATOM 0 H1 DG A 5 2.393 -1.002 -1.224 1.00 8.00 H new ATOM 0 H21 DG A 5 5.167 -1.823 -3.159 1.00 8.00 H new ATOM 0 H22 DG A 5 4.526 -0.910 -1.789 1.00 8.00 H new ATOM 164 P DG A 6 2.467 -5.346 -9.970 1.00 8.00 P ATOM 165 OP1 DG A 6 2.005 -6.451 -10.835 1.00 8.00 O ATOM 166 OP2 DG A 6 3.633 -4.526 -10.359 1.00 8.00 O ATOM 167 O5' DG A 6 1.220 -4.353 -9.723 1.00 8.00 O ATOM 168 C5' DG A 6 -0.066 -4.856 -9.410 1.00 8.00 C ATOM 169 C4' DG A 6 -1.016 -3.749 -8.950 1.00 8.00 C ATOM 170 O4' DG A 6 -0.595 -3.224 -7.698 1.00 8.00 O ATOM 171 C3' DG A 6 -1.141 -2.587 -9.949 1.00 8.00 C ATOM 172 O3' DG A 6 -2.505 -2.433 -10.311 1.00 8.00 O ATOM 173 C2' DG A 6 -0.565 -1.425 -9.146 1.00 8.00 C ATOM 174 C1' DG A 6 -0.915 -1.852 -7.715 1.00 8.00 C ATOM 175 N9 DG A 6 -0.233 -1.104 -6.636 1.00 8.00 N ATOM 176 C8 DG A 6 1.088 -0.711 -6.510 1.00 8.00 C ATOM 177 N7 DG A 6 1.359 -0.055 -5.424 1.00 8.00 N ATOM 178 C5 DG A 6 0.121 0.025 -4.811 1.00 8.00 C ATOM 179 C6 DG A 6 -0.222 0.676 -3.576 1.00 8.00 C ATOM 180 O6 DG A 6 0.525 1.273 -2.794 1.00 8.00 O ATOM 181 N1 DG A 6 -1.565 0.587 -3.251 1.00 8.00 N ATOM 182 C2 DG A 6 -2.484 -0.066 -4.016 1.00 8.00 C ATOM 183 N2 DG A 6 -3.731 -0.056 -3.582 1.00 8.00 N ATOM 184 N3 DG A 6 -2.192 -0.695 -5.165 1.00 8.00 N ATOM 185 C4 DG A 6 -0.866 -0.606 -5.519 1.00 8.00 C ATOM 0 H5' DG A 6 0.020 -5.609 -8.627 1.00 8.00 H new ATOM 0 H5'' DG A 6 -0.484 -5.353 -10.285 1.00 8.00 H new ATOM 0 H4' DG A 6 -1.996 -4.219 -8.868 1.00 8.00 H new ATOM 0 H3' DG A 6 -0.623 -2.705 -10.900 1.00 8.00 H new ATOM 0 H2' DG A 6 0.510 -1.316 -9.292 1.00 8.00 H new ATOM 0 H2'' DG A 6 -1.021 -0.472 -9.415 1.00 8.00 H new ATOM 0 H1' DG A 6 -1.961 -1.635 -7.496 1.00 8.00 H new ATOM 0 H8 DG A 6 1.835 -0.933 -7.258 1.00 8.00 H new ATOM 0 H1 DG A 6 -1.884 1.035 -2.392 1.00 8.00 H new ATOM 0 H21 DG A 6 -4.460 -0.529 -4.115 1.00 8.00 H new ATOM 0 H22 DG A 6 -3.965 0.425 -2.713 1.00 8.00 H new ATOM 197 P DT A 7 -2.998 -1.270 -11.297 1.00 8.00 P ATOM 198 OP1 DT A 7 -4.239 -1.720 -11.960 1.00 8.00 O ATOM 199 OP2 DT A 7 -1.884 -0.850 -12.174 1.00 8.00 O ATOM 200 O5' DT A 7 -3.318 -0.144 -10.209 1.00 8.00 O ATOM 201 C5' DT A 7 -4.122 0.991 -10.471 1.00 8.00 C ATOM 202 C4' DT A 7 -5.065 1.253 -9.290 1.00 8.00 C ATOM 203 O4' DT A 7 -6.040 0.218 -9.275 1.00 8.00 O ATOM 204 C3' DT A 7 -4.356 1.261 -7.920 1.00 8.00 C ATOM 205 O3' DT A 7 -4.957 2.172 -7.013 1.00 8.00 O ATOM 206 C2' DT A 7 -4.667 -0.137 -7.412 1.00 8.00 C ATOM 207 C1' DT A 7 -6.087 -0.293 -7.963 1.00 8.00 C ATOM 208 N1 DT A 7 -6.545 -1.699 -7.971 1.00 8.00 N ATOM 209 C2 DT A 7 -7.753 -1.996 -7.333 1.00 8.00 C ATOM 210 O2 DT A 7 -8.491 -1.156 -6.834 1.00 8.00 O ATOM 211 N3 DT A 7 -8.112 -3.322 -7.274 1.00 8.00 N ATOM 212 C4 DT A 7 -7.404 -4.374 -7.812 1.00 8.00 C ATOM 213 O4 DT A 7 -7.864 -5.506 -7.703 1.00 8.00 O ATOM 214 C5 DT A 7 -6.160 -3.994 -8.476 1.00 8.00 C ATOM 215 C7 DT A 7 -5.282 -5.053 -9.102 1.00 8.00 C ATOM 216 C6 DT A 7 -5.781 -2.691 -8.548 1.00 8.00 C ATOM 0 H5' DT A 7 -4.701 0.834 -11.381 1.00 8.00 H new ATOM 0 H5'' DT A 7 -3.490 1.862 -10.642 1.00 8.00 H new ATOM 0 H4' DT A 7 -5.496 2.244 -9.433 1.00 8.00 H new ATOM 0 H3' DT A 7 -3.304 1.535 -8.003 1.00 8.00 H new ATOM 0 H2' DT A 7 -3.980 -0.888 -7.803 1.00 8.00 H new ATOM 0 H2'' DT A 7 -4.629 -0.206 -6.325 1.00 8.00 H new ATOM 0 H1' DT A 7 -6.799 0.239 -7.332 1.00 8.00 H new ATOM 0 H3 DT A 7 -8.980 -3.547 -6.788 1.00 8.00 H new ATOM 0 H71 DT A 7 -4.747 -4.627 -9.951 1.00 8.00 H new ATOM 0 H72 DT A 7 -4.565 -5.413 -8.365 1.00 8.00 H new ATOM 0 H73 DT A 7 -5.900 -5.884 -9.443 1.00 8.00 H new ATOM 0 H6 DT A 7 -4.869 -2.429 -9.064 1.00 8.00 H new ATOM 229 P DG A 8 -4.729 3.766 -7.099 1.00 8.00 P ATOM 230 OP1 DG A 8 -6.027 4.413 -6.819 1.00 8.00 O ATOM 231 OP2 DG A 8 -4.011 4.060 -8.356 1.00 8.00 O ATOM 232 O5' DG A 8 -3.737 4.055 -5.863 1.00 8.00 O ATOM 233 C5' DG A 8 -4.111 3.704 -4.541 1.00 8.00 C ATOM 234 C4' DG A 8 -3.197 4.283 -3.456 1.00 8.00 C ATOM 235 O4' DG A 8 -1.972 3.572 -3.350 1.00 8.00 O ATOM 236 C3' DG A 8 -2.897 5.770 -3.655 1.00 8.00 C ATOM 237 O3' DG A 8 -3.198 6.499 -2.474 1.00 8.00 O ATOM 238 C2' DG A 8 -1.408 5.812 -3.970 1.00 8.00 C ATOM 239 C1' DG A 8 -0.880 4.400 -3.718 1.00 8.00 C ATOM 240 N9 DG A 8 -0.225 3.852 -4.925 1.00 8.00 N ATOM 241 C8 DG A 8 -0.791 3.120 -5.933 1.00 8.00 C ATOM 242 N7 DG A 8 0.027 2.799 -6.893 1.00 8.00 N ATOM 243 C5 DG A 8 1.236 3.361 -6.493 1.00 8.00 C ATOM 244 C6 DG A 8 2.529 3.352 -7.112 1.00 8.00 C ATOM 245 O6 DG A 8 2.894 2.851 -8.170 1.00 8.00 O ATOM 246 N1 DG A 8 3.496 4.011 -6.375 1.00 8.00 N ATOM 247 C2 DG A 8 3.261 4.620 -5.180 1.00 8.00 C ATOM 248 N2 DG A 8 4.301 5.184 -4.604 1.00 8.00 N ATOM 249 N3 DG A 8 2.074 4.654 -4.570 1.00 8.00 N ATOM 250 C4 DG A 8 1.097 4.003 -5.279 1.00 8.00 C ATOM 0 H5' DG A 8 -4.117 2.618 -4.453 1.00 8.00 H new ATOM 0 H5'' DG A 8 -5.131 4.044 -4.361 1.00 8.00 H new ATOM 0 H4' DG A 8 -3.758 4.169 -2.529 1.00 8.00 H new ATOM 0 H3' DG A 8 -3.495 6.222 -4.447 1.00 8.00 H new ATOM 0 H2' DG A 8 -1.237 6.113 -5.004 1.00 8.00 H new ATOM 0 H2'' DG A 8 -0.896 6.538 -3.338 1.00 8.00 H new ATOM 0 H1' DG A 8 -0.138 4.433 -2.921 1.00 8.00 H new ATOM 0 H8 DG A 8 -1.832 2.832 -5.932 1.00 8.00 H new ATOM 0 H1 DG A 8 4.444 4.043 -6.750 1.00 8.00 H new ATOM 0 H21 DG A 8 4.193 5.657 -3.707 1.00 8.00 H new ATOM 0 H22 DG A 8 5.215 5.148 -5.055 1.00 8.00 H new ATOM 262 P DT A 9 -4.651 7.179 -2.302 1.00 8.00 P ATOM 263 OP1 DT A 9 -5.651 6.275 -2.908 1.00 8.00 O ATOM 264 OP2 DT A 9 -4.552 8.573 -2.778 1.00 8.00 O ATOM 265 O5' DT A 9 -4.900 7.197 -0.713 1.00 8.00 O ATOM 266 C5' DT A 9 -5.576 6.135 -0.055 1.00 8.00 C ATOM 267 C4' DT A 9 -5.660 6.362 1.454 1.00 8.00 C ATOM 268 O4' DT A 9 -4.359 6.198 1.982 1.00 8.00 O ATOM 269 C3' DT A 9 -6.159 7.755 1.855 1.00 8.00 C ATOM 270 O3' DT A 9 -6.988 7.654 3.002 1.00 8.00 O ATOM 271 C2' DT A 9 -4.862 8.482 2.183 1.00 8.00 C ATOM 272 C1' DT A 9 -3.973 7.358 2.685 1.00 8.00 C ATOM 273 N1 DT A 9 -2.547 7.675 2.439 1.00 8.00 N ATOM 274 C2 DT A 9 -1.884 8.513 3.333 1.00 8.00 C ATOM 275 O2 DT A 9 -2.393 8.957 4.349 1.00 8.00 O ATOM 276 N3 DT A 9 -0.576 8.821 3.048 1.00 8.00 N ATOM 277 C4 DT A 9 0.169 8.273 2.018 1.00 8.00 C ATOM 278 O4 DT A 9 1.357 8.574 1.918 1.00 8.00 O ATOM 279 C5 DT A 9 -0.577 7.375 1.134 1.00 8.00 C ATOM 280 C7 DT A 9 0.092 6.720 -0.041 1.00 8.00 C ATOM 281 C6 DT A 9 -1.894 7.139 1.349 1.00 8.00 C ATOM 0 H5' DT A 9 -5.058 5.197 -0.253 1.00 8.00 H new ATOM 0 H5'' DT A 9 -6.582 6.036 -0.464 1.00 8.00 H new ATOM 0 H4' DT A 9 -6.382 5.646 1.846 1.00 8.00 H new ATOM 0 H3' DT A 9 -6.753 8.258 1.092 1.00 8.00 H new ATOM 0 H2' DT A 9 -4.439 8.973 1.307 1.00 8.00 H new ATOM 0 H2'' DT A 9 -5.009 9.252 2.940 1.00 8.00 H new ATOM 0 H1' DT A 9 -4.085 7.216 3.760 1.00 8.00 H new ATOM 0 H3 DT A 9 -0.116 9.510 3.644 1.00 8.00 H new ATOM 0 H71 DT A 9 -0.381 5.758 -0.239 1.00 8.00 H new ATOM 0 H72 DT A 9 -0.005 7.360 -0.918 1.00 8.00 H new ATOM 0 H73 DT A 9 1.148 6.566 0.181 1.00 8.00 H new ATOM 0 H6 DT A 9 -2.442 6.520 0.654 1.00 8.00 H new ATOM 294 P DG A 10 -8.593 7.732 2.866 1.00 8.00 P ATOM 295 OP1 DG A 10 -8.924 8.971 2.131 1.00 8.00 O ATOM 296 OP2 DG A 10 -9.178 7.477 4.200 1.00 8.00 O ATOM 297 O5' DG A 10 -8.950 6.488 1.908 1.00 8.00 O ATOM 298 C5' DG A 10 -9.154 5.186 2.422 1.00 8.00 C ATOM 299 C4' DG A 10 -9.444 4.227 1.269 1.00 8.00 C ATOM 300 O4' DG A 10 -8.239 3.914 0.572 1.00 8.00 O ATOM 301 C3' DG A 10 -10.013 2.890 1.775 1.00 8.00 C ATOM 302 O3' DG A 10 -11.002 2.474 0.841 1.00 8.00 O ATOM 303 C2' DG A 10 -8.767 2.014 1.712 1.00 8.00 C ATOM 304 C1' DG A 10 -8.255 2.515 0.369 1.00 8.00 C ATOM 305 N9 DG A 10 -6.938 1.958 -0.045 1.00 8.00 N ATOM 306 C8 DG A 10 -6.631 1.163 -1.144 1.00 8.00 C ATOM 307 N7 DG A 10 -5.361 1.069 -1.411 1.00 8.00 N ATOM 308 C5 DG A 10 -4.795 1.784 -0.363 1.00 8.00 C ATOM 309 C6 DG A 10 -3.403 2.047 -0.107 1.00 8.00 C ATOM 310 O6 DG A 10 -2.428 1.731 -0.796 1.00 8.00 O ATOM 311 N1 DG A 10 -3.165 2.724 1.085 1.00 8.00 N ATOM 312 C2 DG A 10 -4.147 3.089 1.954 1.00 8.00 C ATOM 313 N2 DG A 10 -3.756 3.669 3.077 1.00 8.00 N ATOM 314 N3 DG A 10 -5.455 2.904 1.720 1.00 8.00 N ATOM 315 C4 DG A 10 -5.721 2.251 0.537 1.00 8.00 C ATOM 0 H5' DG A 10 -9.985 5.187 3.127 1.00 8.00 H new ATOM 0 H5'' DG A 10 -8.271 4.857 2.971 1.00 8.00 H new ATOM 0 H4' DG A 10 -10.166 4.727 0.623 1.00 8.00 H new ATOM 0 H3' DG A 10 -10.484 2.888 2.758 1.00 8.00 H new ATOM 0 H2' DG A 10 -8.072 2.196 2.532 1.00 8.00 H new ATOM 0 H2'' DG A 10 -8.991 0.947 1.715 1.00 8.00 H new ATOM 0 H1' DG A 10 -8.879 2.196 -0.465 1.00 8.00 H new ATOM 0 H8 DG A 10 -7.388 0.663 -1.730 1.00 8.00 H new ATOM 0 H1 DG A 10 -2.201 2.960 1.321 1.00 8.00 H new ATOM 0 H21 DG A 10 -4.448 3.964 3.766 1.00 8.00 H new ATOM 0 H22 DG A 10 -2.763 3.821 3.254 1.00 8.00 H new ATOM 327 P DG A 11 -11.979 1.219 1.087 1.00 8.00 P ATOM 328 OP1 DG A 11 -13.014 1.265 0.030 1.00 8.00 O ATOM 329 OP2 DG A 11 -12.369 1.230 2.511 1.00 8.00 O ATOM 330 O5' DG A 11 -11.031 -0.064 0.815 1.00 8.00 O ATOM 331 C5' DG A 11 -10.763 -0.530 -0.500 1.00 8.00 C ATOM 332 C4' DG A 11 -9.770 -1.701 -0.519 1.00 8.00 C ATOM 333 O4' DG A 11 -8.445 -1.243 -0.318 1.00 8.00 O ATOM 334 C3' DG A 11 -10.053 -2.779 0.535 1.00 8.00 C ATOM 335 O3' DG A 11 -10.426 -4.003 -0.056 1.00 8.00 O ATOM 336 C2' DG A 11 -8.701 -2.990 1.212 1.00 8.00 C ATOM 337 C1' DG A 11 -7.726 -2.313 0.251 1.00 8.00 C ATOM 338 N9 DG A 11 -6.450 -1.825 0.806 1.00 8.00 N ATOM 339 C8 DG A 11 -6.210 -1.135 1.971 1.00 8.00 C ATOM 340 N7 DG A 11 -4.982 -0.754 2.141 1.00 8.00 N ATOM 341 C5 DG A 11 -4.364 -1.252 1.005 1.00 8.00 C ATOM 342 C6 DG A 11 -2.979 -1.165 0.629 1.00 8.00 C ATOM 343 O6 DG A 11 -2.055 -0.604 1.226 1.00 8.00 O ATOM 344 N1 DG A 11 -2.684 -1.820 -0.560 1.00 8.00 N ATOM 345 C2 DG A 11 -3.602 -2.508 -1.299 1.00 8.00 C ATOM 346 N2 DG A 11 -3.163 -3.129 -2.383 1.00 8.00 N ATOM 347 N3 DG A 11 -4.905 -2.587 -0.980 1.00 8.00 N ATOM 348 C4 DG A 11 -5.225 -1.935 0.188 1.00 8.00 C ATOM 0 H5' DG A 11 -10.365 0.290 -1.098 1.00 8.00 H new ATOM 0 H5'' DG A 11 -11.696 -0.842 -0.969 1.00 8.00 H new ATOM 0 H4' DG A 11 -9.892 -2.150 -1.505 1.00 8.00 H new ATOM 0 H3' DG A 11 -10.861 -2.474 1.200 1.00 8.00 H new ATOM 0 H2' DG A 11 -8.671 -2.537 2.203 1.00 8.00 H new ATOM 0 H2'' DG A 11 -8.474 -4.049 1.338 1.00 8.00 H new ATOM 0 H1' DG A 11 -7.393 -3.073 -0.456 1.00 8.00 H new ATOM 0 H8 DG A 11 -6.987 -0.926 2.691 1.00 8.00 H new ATOM 0 H1 DG A 11 -1.723 -1.785 -0.901 1.00 8.00 H new ATOM 0 H21 DG A 11 -3.812 -3.656 -2.967 1.00 8.00 H new ATOM 0 H22 DG A 11 -2.176 -3.080 -2.634 1.00 8.00 H new ATOM 360 P DT A 12 -11.533 -4.934 0.650 1.00 8.00 P ATOM 361 OP1 DT A 12 -11.538 -6.242 -0.039 1.00 8.00 O ATOM 362 OP2 DT A 12 -12.778 -4.151 0.768 1.00 8.00 O ATOM 363 O5' DT A 12 -10.945 -5.153 2.137 1.00 8.00 O ATOM 364 C5' DT A 12 -11.814 -5.540 3.190 1.00 8.00 C ATOM 365 C4' DT A 12 -11.089 -5.904 4.487 1.00 8.00 C ATOM 366 O4' DT A 12 -10.363 -7.104 4.298 1.00 8.00 O ATOM 367 C3' DT A 12 -10.138 -4.837 5.028 1.00 8.00 C ATOM 368 O3' DT A 12 -10.275 -4.806 6.437 1.00 8.00 O ATOM 369 C2' DT A 12 -8.752 -5.365 4.696 1.00 8.00 C ATOM 370 C1' DT A 12 -8.985 -6.861 4.476 1.00 8.00 C ATOM 371 N1 DT A 12 -8.261 -7.448 3.321 1.00 8.00 N ATOM 372 C2 DT A 12 -7.697 -8.710 3.497 1.00 8.00 C ATOM 373 O2 DT A 12 -7.698 -9.315 4.558 1.00 8.00 O ATOM 374 N3 DT A 12 -7.102 -9.283 2.403 1.00 8.00 N ATOM 375 C4 DT A 12 -7.026 -8.729 1.138 1.00 8.00 C ATOM 376 O4 DT A 12 -6.482 -9.378 0.249 1.00 8.00 O ATOM 377 C5 DT A 12 -7.626 -7.400 1.009 1.00 8.00 C ATOM 378 C7 DT A 12 -7.635 -6.691 -0.334 1.00 8.00 C ATOM 379 C6 DT A 12 -8.215 -6.817 2.090 1.00 8.00 C ATOM 0 H5' DT A 12 -12.407 -6.395 2.864 1.00 8.00 H new ATOM 0 H5'' DT A 12 -12.511 -4.727 3.391 1.00 8.00 H new ATOM 0 H4' DT A 12 -11.876 -6.009 5.234 1.00 8.00 H new ATOM 0 H3' DT A 12 -10.325 -3.844 4.618 1.00 8.00 H new ATOM 0 H2' DT A 12 -8.343 -4.887 3.806 1.00 8.00 H new ATOM 0 H2'' DT A 12 -8.048 -5.183 5.508 1.00 8.00 H new ATOM 0 H1' DT A 12 -8.589 -7.343 5.370 1.00 8.00 H new ATOM 0 H3 DT A 12 -6.677 -10.201 2.534 1.00 8.00 H new ATOM 0 H71 DT A 12 -8.510 -6.044 -0.398 1.00 8.00 H new ATOM 0 H72 DT A 12 -6.731 -6.091 -0.435 1.00 8.00 H new ATOM 0 H73 DT A 12 -7.671 -7.429 -1.135 1.00 8.00 H new ATOM 0 H6 DT A 12 -8.657 -5.837 1.984 1.00 8.00 H new ATOM 392 P DT A 13 -10.090 -3.454 7.289 1.00 8.00 P ATOM 393 OP1 DT A 13 -10.411 -3.786 8.693 1.00 8.00 O ATOM 394 OP2 DT A 13 -10.829 -2.380 6.595 1.00 8.00 O ATOM 395 O5' DT A 13 -8.515 -3.111 7.192 1.00 8.00 O ATOM 396 C5' DT A 13 -7.569 -3.698 8.072 1.00 8.00 C ATOM 397 C4' DT A 13 -6.159 -3.166 7.815 1.00 8.00 C ATOM 398 O4' DT A 13 -5.648 -3.650 6.591 1.00 8.00 O ATOM 399 C3' DT A 13 -6.026 -1.628 7.816 1.00 8.00 C ATOM 400 O3' DT A 13 -5.021 -1.181 8.712 1.00 8.00 O ATOM 401 C2' DT A 13 -5.509 -1.394 6.405 1.00 8.00 C ATOM 402 C1' DT A 13 -4.732 -2.661 6.176 1.00 8.00 C ATOM 403 N1 DT A 13 -4.148 -2.897 4.844 1.00 8.00 N ATOM 404 C2 DT A 13 -2.785 -2.667 4.647 1.00 8.00 C ATOM 405 O2 DT A 13 -2.054 -2.138 5.474 1.00 8.00 O ATOM 406 N3 DT A 13 -2.249 -3.125 3.464 1.00 8.00 N ATOM 407 C4 DT A 13 -2.911 -3.893 2.526 1.00 8.00 C ATOM 408 O4 DT A 13 -2.298 -4.272 1.536 1.00 8.00 O ATOM 409 C5 DT A 13 -4.303 -4.187 2.855 1.00 8.00 C ATOM 410 C7 DT A 13 -5.113 -5.120 1.984 1.00 8.00 C ATOM 411 C6 DT A 13 -4.862 -3.660 3.976 1.00 8.00 C ATOM 0 H5' DT A 13 -7.579 -4.781 7.948 1.00 8.00 H new ATOM 0 H5'' DT A 13 -7.854 -3.493 9.104 1.00 8.00 H new ATOM 0 H4' DT A 13 -5.583 -3.537 8.663 1.00 8.00 H new ATOM 0 H3' DT A 13 -6.949 -1.122 8.101 1.00 8.00 H new ATOM 0 H2' DT A 13 -6.317 -1.269 5.684 1.00 8.00 H new ATOM 0 H2'' DT A 13 -4.881 -0.506 6.337 1.00 8.00 H new ATOM 0 H1' DT A 13 -3.795 -2.638 6.733 1.00 8.00 H new ATOM 0 H3 DT A 13 -1.280 -2.876 3.263 1.00 8.00 H new ATOM 0 H71 DT A 13 -4.756 -5.060 0.956 1.00 8.00 H new ATOM 0 H72 DT A 13 -5.004 -6.142 2.346 1.00 8.00 H new ATOM 0 H73 DT A 13 -6.164 -4.832 2.021 1.00 8.00 H new ATOM 0 H6 DT A 13 -5.904 -3.853 4.183 1.00 8.00 H new ATOM 424 P DG A 14 -5.365 -0.320 10.032 1.00 8.00 P ATOM 425 OP1 DG A 14 -5.392 -1.239 11.187 1.00 8.00 O ATOM 426 OP2 DG A 14 -6.532 0.549 9.739 1.00 8.00 O ATOM 427 O5' DG A 14 -4.068 0.630 10.161 1.00 8.00 O ATOM 428 C5' DG A 14 -4.031 1.886 9.513 1.00 8.00 C ATOM 429 C4' DG A 14 -2.659 2.556 9.614 1.00 8.00 C ATOM 430 O4' DG A 14 -1.725 1.937 8.751 1.00 8.00 O ATOM 431 C3' DG A 14 -2.750 4.037 9.231 1.00 8.00 C ATOM 432 O3' DG A 14 -2.092 4.808 10.225 1.00 8.00 O ATOM 433 C2' DG A 14 -1.960 4.052 7.942 1.00 8.00 C ATOM 434 C1' DG A 14 -0.943 2.973 8.221 1.00 8.00 C ATOM 435 N9 DG A 14 -0.257 2.576 6.988 1.00 8.00 N ATOM 436 C8 DG A 14 1.029 2.875 6.649 1.00 8.00 C ATOM 437 N7 DG A 14 1.445 2.356 5.524 1.00 8.00 N ATOM 438 C5 DG A 14 0.281 1.739 5.061 1.00 8.00 C ATOM 439 C6 DG A 14 0.038 1.057 3.812 1.00 8.00 C ATOM 440 O6 DG A 14 0.830 0.826 2.894 1.00 8.00 O ATOM 441 N1 DG A 14 -1.281 0.658 3.633 1.00 8.00 N ATOM 442 C2 DG A 14 -2.271 0.901 4.537 1.00 8.00 C ATOM 443 N2 DG A 14 -3.504 0.584 4.201 1.00 8.00 N ATOM 444 N3 DG A 14 -2.083 1.523 5.699 1.00 8.00 N ATOM 445 C4 DG A 14 -0.782 1.907 5.910 1.00 8.00 C ATOM 0 H5' DG A 14 -4.785 2.540 9.952 1.00 8.00 H new ATOM 0 H5'' DG A 14 -4.293 1.757 8.463 1.00 8.00 H new ATOM 0 H4' DG A 14 -2.329 2.455 10.648 1.00 8.00 H new ATOM 0 H3' DG A 14 -3.760 4.436 9.137 1.00 8.00 H new ATOM 0 H2' DG A 14 -2.579 3.822 7.075 1.00 8.00 H new ATOM 0 H2'' DG A 14 -1.495 5.020 7.754 1.00 8.00 H new ATOM 0 H1' DG A 14 -0.146 3.281 8.898 1.00 8.00 H new ATOM 0 H8 DG A 14 1.660 3.497 7.267 1.00 8.00 H new ATOM 0 H1 DG A 14 -1.521 0.156 2.778 1.00 8.00 H new ATOM 0 H21 DG A 14 -4.270 0.752 4.854 1.00 8.00 H new ATOM 0 H22 DG A 14 -3.693 0.170 3.288 1.00 8.00 H new ATOM 457 P DG A 15 -2.145 6.422 10.255 1.00 8.00 P ATOM 458 OP1 DG A 15 -1.743 6.853 11.608 1.00 8.00 O ATOM 459 OP2 DG A 15 -3.449 6.839 9.695 1.00 8.00 O ATOM 460 O5' DG A 15 -0.987 6.890 9.230 1.00 8.00 O ATOM 461 C5' DG A 15 0.386 6.715 9.540 1.00 8.00 C ATOM 462 C4' DG A 15 1.295 7.158 8.388 1.00 8.00 C ATOM 463 O4' DG A 15 1.198 6.209 7.338 1.00 8.00 O ATOM 464 C3' DG A 15 0.963 8.547 7.817 1.00 8.00 C ATOM 465 O3' DG A 15 2.142 9.295 7.587 1.00 8.00 O ATOM 466 C2' DG A 15 0.331 8.231 6.474 1.00 8.00 C ATOM 467 C1' DG A 15 1.034 6.917 6.126 1.00 8.00 C ATOM 468 N9 DG A 15 0.370 6.067 5.135 1.00 8.00 N ATOM 469 C8 DG A 15 -0.959 5.785 5.003 1.00 8.00 C ATOM 470 N7 DG A 15 -1.267 4.960 4.041 1.00 8.00 N ATOM 471 C5 DG A 15 -0.014 4.732 3.474 1.00 8.00 C ATOM 472 C6 DG A 15 0.328 3.976 2.298 1.00 8.00 C ATOM 473 O6 DG A 15 -0.423 3.342 1.551 1.00 8.00 O ATOM 474 N1 DG A 15 1.681 4.008 1.983 1.00 8.00 N ATOM 475 C2 DG A 15 2.615 4.688 2.708 1.00 8.00 C ATOM 476 N2 DG A 15 3.861 4.662 2.272 1.00 8.00 N ATOM 477 N3 DG A 15 2.328 5.414 3.793 1.00 8.00 N ATOM 478 C4 DG A 15 0.995 5.398 4.119 1.00 8.00 C ATOM 0 H5' DG A 15 0.575 5.666 9.769 1.00 8.00 H new ATOM 0 H5'' DG A 15 0.631 7.286 10.436 1.00 8.00 H new ATOM 0 H4' DG A 15 2.302 7.221 8.801 1.00 8.00 H new ATOM 0 H3' DG A 15 0.333 9.128 8.491 1.00 8.00 H new ATOM 0 H2' DG A 15 -0.751 8.115 6.544 1.00 8.00 H new ATOM 0 H2'' DG A 15 0.521 9.009 5.735 1.00 8.00 H new ATOM 0 HO3' DG A 15 1.906 10.174 7.222 1.00 8.00 H new ATOM 0 H1' DG A 15 1.975 7.180 5.643 1.00 8.00 H new ATOM 0 H8 DG A 15 -1.706 6.217 5.652 1.00 8.00 H new ATOM 0 H1 DG A 15 1.994 3.492 1.161 1.00 8.00 H new ATOM 0 H21 DG A 15 4.591 5.157 2.784 1.00 8.00 H new ATOM 0 H22 DG A 15 4.094 4.147 1.423 1.00 8.00 H new TER 491 DG A 15 HETATM 492 C4 1CF A 101 4.839 7.981 -0.062 1.00 8.00 C HETATM 493 C5 1CF A 101 4.502 7.396 -1.443 1.00 8.00 C HETATM 494 C6 1CF A 101 3.273 6.521 -1.462 1.00 8.00 C HETATM 495 C11 1CF A 101 8.000 6.692 -4.826 1.00 8.00 C HETATM 496 C12 1CF A 101 8.777 6.916 -3.524 1.00 8.00 C HETATM 497 C3 1CF A 101 6.073 8.875 -0.211 1.00 8.00 C HETATM 498 O11 1CF A 101 8.781 6.795 -6.003 1.00 8.00 O HETATM 499 C1 1CF A 101 6.899 7.379 -2.074 1.00 8.00 C HETATM 500 C2 1CF A 101 7.262 8.083 -0.764 1.00 8.00 C HETATM 501 O2 1CF A 101 8.324 9.024 -1.044 1.00 8.00 O HETATM 502 O3 1CF A 101 6.423 9.397 1.082 1.00 8.00 O HETATM 503 O4 1CF A 101 5.176 6.918 0.847 1.00 8.00 O HETATM 504 O5 1CF A 101 5.644 6.606 -1.932 1.00 8.00 O HETATM 505 O1 1CF A 101 8.002 6.486 -2.421 1.00 8.00 O