USER MOD reduce.3.24.130724 H: found=0, std=0, add=257, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 257 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 180:sc= 0 USER MOD Single : A 15 DT C7 :methyl -30:sc= -1.79 (180deg=-2.89) USER MOD Single : A 16 DT C7 :methyl 150:sc= -0.565 (180deg=-0.565) USER MOD Single : A 23 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -3.760 2.540 6.102 1.00 0.16 O ATOM 2 C5' DG A 1 -2.510 1.927 6.446 1.00 0.16 C ATOM 3 C4' DG A 1 -2.692 0.574 7.119 1.00 0.14 C ATOM 4 O4' DG A 1 -3.388 -0.340 6.242 1.00 0.15 O ATOM 5 C3' DG A 1 -1.346 -0.046 7.481 1.00 0.16 C ATOM 6 O3' DG A 1 -1.309 -0.394 8.870 1.00 0.15 O ATOM 7 C2' DG A 1 -1.219 -1.267 6.616 1.00 0.24 C ATOM 8 C1' DG A 1 -2.545 -1.466 5.916 1.00 0.20 C ATOM 9 N9 DG A 1 -2.350 -1.568 4.458 1.00 0.17 N ATOM 10 C8 DG A 1 -2.488 -2.639 3.640 1.00 0.18 C ATOM 11 N7 DG A 1 -2.248 -2.467 2.384 1.00 0.15 N ATOM 12 C5 DG A 1 -1.904 -1.113 2.342 1.00 0.14 C ATOM 13 C6 DG A 1 -1.528 -0.304 1.236 1.00 0.15 C ATOM 14 O6 DG A 1 -1.423 -0.628 0.055 1.00 0.22 O ATOM 15 N1 DG A 1 -1.261 1.002 1.628 1.00 0.14 N ATOM 16 C2 DG A 1 -1.347 1.477 2.921 1.00 0.13 C ATOM 17 N2 DG A 1 -1.048 2.765 3.097 1.00 0.15 N ATOM 18 N3 DG A 1 -1.701 0.722 3.967 1.00 0.14 N ATOM 19 C4 DG A 1 -1.964 -0.555 3.609 1.00 0.14 C ATOM 0 H5' DG A 1 -1.955 2.589 7.111 1.00 0.16 H new ATOM 0 H5'' DG A 1 -1.909 1.804 5.545 1.00 0.16 H new ATOM 0 H4' DG A 1 -3.273 0.741 8.026 1.00 0.14 H new ATOM 0 H3' DG A 1 -0.522 0.648 7.314 1.00 0.16 H new ATOM 0 H2' DG A 1 -0.417 -1.141 5.889 1.00 0.24 H new ATOM 0 H2'' DG A 1 -0.968 -2.140 7.219 1.00 0.24 H new ATOM 0 HO5' DG A 1 -3.593 3.406 5.674 1.00 0.16 H new ATOM 0 H1' DG A 1 -3.013 -2.393 6.247 1.00 0.20 H new ATOM 0 H8 DG A 1 -2.788 -3.602 4.025 1.00 0.18 H new ATOM 0 H1 DG A 1 -0.979 1.662 0.903 1.00 0.14 H new ATOM 0 H21 DG A 1 -1.093 3.176 4.029 1.00 0.15 H new ATOM 0 H22 DG A 1 -0.775 3.339 2.299 1.00 0.15 H new ATOM 32 P DG A 2 0.095 -0.561 9.640 1.00 0.10 P ATOM 33 OP1 DG A 2 -0.167 -0.526 11.095 1.00 0.10 O ATOM 34 OP2 DG A 2 1.067 0.382 9.041 1.00 0.14 O ATOM 35 O5' DG A 2 0.535 -2.057 9.242 1.00 0.19 O ATOM 36 C5' DG A 2 -0.335 -3.164 9.511 1.00 0.19 C ATOM 37 C4' DG A 2 -0.129 -4.310 8.532 1.00 0.20 C ATOM 38 O4' DG A 2 -0.244 -3.845 7.167 1.00 0.20 O ATOM 39 C3' DG A 2 1.252 -4.938 8.702 1.00 0.22 C ATOM 40 O3' DG A 2 1.144 -6.284 9.177 1.00 0.23 O ATOM 41 C2' DG A 2 1.887 -4.893 7.338 1.00 0.25 C ATOM 42 C1' DG A 2 0.850 -4.355 6.377 1.00 0.21 C ATOM 43 N9 DG A 2 1.436 -3.303 5.537 1.00 0.20 N ATOM 44 C8 DG A 2 1.936 -2.102 5.900 1.00 0.19 C ATOM 45 N7 DG A 2 2.410 -1.347 4.972 1.00 0.19 N ATOM 46 C5 DG A 2 2.210 -2.128 3.835 1.00 0.16 C ATOM 47 C6 DG A 2 2.525 -1.851 2.482 1.00 0.18 C ATOM 48 O6 DG A 2 3.030 -0.829 2.015 1.00 0.27 O ATOM 49 N1 DG A 2 2.165 -2.906 1.649 1.00 0.16 N ATOM 50 C2 DG A 2 1.571 -4.080 2.064 1.00 0.15 C ATOM 51 N2 DG A 2 1.306 -4.975 1.108 1.00 0.20 N ATOM 52 N3 DG A 2 1.267 -4.347 3.341 1.00 0.16 N ATOM 53 C4 DG A 2 1.613 -3.333 4.170 1.00 0.16 C ATOM 0 H5' DG A 2 -1.371 -2.829 9.463 1.00 0.19 H new ATOM 0 H5'' DG A 2 -0.162 -3.521 10.526 1.00 0.19 H new ATOM 0 H4' DG A 2 -0.900 -5.051 8.743 1.00 0.20 H new ATOM 0 H3' DG A 2 1.851 -4.402 9.438 1.00 0.22 H new ATOM 0 H2' DG A 2 2.771 -4.255 7.346 1.00 0.25 H new ATOM 0 H2'' DG A 2 2.214 -5.887 7.033 1.00 0.25 H new ATOM 0 H1' DG A 2 0.493 -5.138 5.708 1.00 0.21 H new ATOM 0 H8 DG A 2 1.938 -1.786 6.933 1.00 0.19 H new ATOM 0 H1 DG A 2 2.355 -2.803 0.652 1.00 0.16 H new ATOM 0 H21 DG A 2 0.867 -5.864 1.349 1.00 0.20 H new ATOM 0 H22 DG A 2 1.543 -4.769 0.137 1.00 0.20 H new ATOM 65 P DG A 3 2.455 -7.203 9.341 1.00 0.17 P ATOM 66 OP1 DG A 3 2.121 -8.334 10.235 1.00 0.15 O ATOM 67 OP2 DG A 3 3.603 -6.323 9.658 1.00 0.21 O ATOM 68 O5' DG A 3 2.659 -7.780 7.853 1.00 0.14 O ATOM 69 C5' DG A 3 1.613 -8.526 7.219 1.00 0.13 C ATOM 70 C4' DG A 3 1.874 -8.753 5.738 1.00 0.11 C ATOM 71 O4' DG A 3 2.031 -7.494 5.043 1.00 0.13 O ATOM 72 C3' DG A 3 3.144 -9.572 5.518 1.00 0.09 C ATOM 73 O3' DG A 3 2.837 -10.827 4.898 1.00 0.11 O ATOM 74 C2' DG A 3 4.012 -8.726 4.626 1.00 0.14 C ATOM 75 C1' DG A 3 3.156 -7.579 4.149 1.00 0.08 C ATOM 76 N9 DG A 3 3.924 -6.329 4.123 1.00 0.07 N ATOM 77 C8 DG A 3 4.420 -5.589 5.140 1.00 0.09 C ATOM 78 N7 DG A 3 5.056 -4.507 4.834 1.00 0.08 N ATOM 79 C5 DG A 3 4.982 -4.522 3.436 1.00 0.09 C ATOM 80 C6 DG A 3 5.493 -3.603 2.482 1.00 0.13 C ATOM 81 O6 DG A 3 6.120 -2.564 2.680 1.00 0.16 O ATOM 82 N1 DG A 3 5.197 -4.003 1.184 1.00 0.19 N ATOM 83 C2 DG A 3 4.498 -5.142 0.843 1.00 0.20 C ATOM 84 N2 DG A 3 4.328 -5.365 -0.456 1.00 0.26 N ATOM 85 N3 DG A 3 4.015 -6.005 1.732 1.00 0.14 N ATOM 86 C4 DG A 3 4.291 -5.638 3.000 1.00 0.09 C ATOM 0 H5' DG A 3 0.668 -7.996 7.341 1.00 0.13 H new ATOM 0 H5'' DG A 3 1.505 -9.489 7.717 1.00 0.13 H new ATOM 0 H4' DG A 3 1.013 -9.295 5.347 1.00 0.11 H new ATOM 0 H3' DG A 3 3.644 -9.809 6.457 1.00 0.09 H new ATOM 0 H2' DG A 3 4.883 -8.359 5.169 1.00 0.14 H new ATOM 0 H2'' DG A 3 4.384 -9.308 3.783 1.00 0.14 H new ATOM 0 H1' DG A 3 2.813 -7.746 3.128 1.00 0.08 H new ATOM 0 H8 DG A 3 4.290 -5.891 6.169 1.00 0.09 H new ATOM 0 H1 DG A 3 5.523 -3.407 0.423 1.00 0.19 H new ATOM 0 H21 DG A 3 3.819 -6.192 -0.769 1.00 0.26 H new ATOM 0 H22 DG A 3 4.707 -4.710 -1.140 1.00 0.26 H new ATOM 98 P DC A 4 4.010 -11.848 4.479 1.00 0.08 P ATOM 99 OP1 DC A 4 3.440 -13.213 4.428 1.00 0.25 O ATOM 100 OP2 DC A 4 5.190 -11.572 5.330 1.00 0.26 O ATOM 101 O5' DC A 4 4.357 -11.390 2.974 1.00 0.24 O ATOM 102 C5' DC A 4 5.263 -12.158 2.175 1.00 0.17 C ATOM 103 C4' DC A 4 5.489 -11.521 0.805 1.00 0.16 C ATOM 104 O4' DC A 4 4.253 -11.449 0.058 1.00 0.14 O ATOM 105 C3' DC A 4 6.043 -10.104 0.939 1.00 0.18 C ATOM 106 O3' DC A 4 7.340 -10.010 0.339 1.00 0.22 O ATOM 107 C2' DC A 4 5.060 -9.219 0.224 1.00 0.16 C ATOM 108 C1' DC A 4 4.091 -10.130 -0.500 1.00 0.14 C ATOM 109 N1 DC A 4 2.698 -9.658 -0.344 1.00 0.13 N ATOM 110 C2 DC A 4 2.082 -9.093 -1.452 1.00 0.15 C ATOM 111 O2 DC A 4 2.697 -8.985 -2.510 1.00 0.19 O ATOM 112 N3 DC A 4 0.795 -8.668 -1.328 1.00 0.20 N ATOM 113 C4 DC A 4 0.137 -8.793 -0.168 1.00 0.17 C ATOM 114 N4 DC A 4 -1.123 -8.368 -0.081 1.00 0.19 N ATOM 115 C5 DC A 4 0.769 -9.375 0.976 1.00 0.13 C ATOM 116 C6 DC A 4 2.043 -9.791 0.844 1.00 0.13 C ATOM 0 H5' DC A 4 4.870 -13.166 2.047 1.00 0.17 H new ATOM 0 H5'' DC A 4 6.217 -12.251 2.694 1.00 0.17 H new ATOM 0 H4' DC A 4 6.207 -12.150 0.280 1.00 0.16 H new ATOM 0 H3' DC A 4 6.161 -9.813 1.983 1.00 0.18 H new ATOM 0 H2' DC A 4 4.533 -8.578 0.931 1.00 0.16 H new ATOM 0 H2'' DC A 4 5.572 -8.563 -0.480 1.00 0.16 H new ATOM 0 H1' DC A 4 4.300 -10.136 -1.570 1.00 0.14 H new ATOM 0 H41 DC A 4 -1.632 -8.459 0.798 1.00 0.19 H new ATOM 0 H42 DC A 4 -1.578 -7.952 -0.893 1.00 0.19 H new ATOM 0 H5 DC A 4 0.242 -9.477 1.913 1.00 0.13 H new ATOM 0 H6 DC A 4 2.551 -10.234 1.688 1.00 0.13 H new ATOM 128 P DG A 5 8.603 -9.489 1.190 1.00 0.10 P ATOM 129 OP1 DG A 5 9.801 -9.547 0.325 1.00 0.21 O ATOM 130 OP2 DG A 5 8.601 -10.187 2.496 1.00 0.19 O ATOM 131 O5' DG A 5 8.238 -7.943 1.445 1.00 0.20 O ATOM 132 C5' DG A 5 8.214 -7.011 0.355 1.00 0.17 C ATOM 133 C4' DG A 5 8.560 -5.600 0.798 1.00 0.18 C ATOM 134 O4' DG A 5 7.618 -5.132 1.790 1.00 0.17 O ATOM 135 C3' DG A 5 9.955 -5.559 1.408 1.00 0.19 C ATOM 136 O3' DG A 5 10.788 -4.620 0.719 1.00 0.19 O ATOM 137 C2' DG A 5 9.763 -5.155 2.843 1.00 0.20 C ATOM 138 C1' DG A 5 8.281 -4.920 3.055 1.00 0.17 C ATOM 139 N9 DG A 5 7.749 -5.836 4.081 1.00 0.17 N ATOM 140 C8 DG A 5 7.205 -7.068 3.938 1.00 0.15 C ATOM 141 N7 DG A 5 6.810 -7.677 5.006 1.00 0.13 N ATOM 142 C5 DG A 5 7.124 -6.741 5.998 1.00 0.16 C ATOM 143 C6 DG A 5 6.937 -6.810 7.404 1.00 0.16 C ATOM 144 O6 DG A 5 6.449 -7.724 8.065 1.00 0.18 O ATOM 145 N1 DG A 5 7.390 -5.658 8.036 1.00 0.17 N ATOM 146 C2 DG A 5 7.954 -4.571 7.398 1.00 0.20 C ATOM 147 N2 DG A 5 8.328 -3.558 8.178 1.00 0.23 N ATOM 148 N3 DG A 5 8.133 -4.499 6.074 1.00 0.20 N ATOM 149 C4 DG A 5 7.700 -5.611 5.438 1.00 0.18 C ATOM 0 H5' DG A 5 7.224 -7.014 -0.102 1.00 0.17 H new ATOM 0 H5'' DG A 5 8.919 -7.333 -0.411 1.00 0.17 H new ATOM 0 H4' DG A 5 8.519 -4.959 -0.083 1.00 0.18 H new ATOM 0 H3' DG A 5 10.452 -6.526 1.329 1.00 0.19 H new ATOM 0 H2' DG A 5 10.127 -5.934 3.513 1.00 0.20 H new ATOM 0 H2'' DG A 5 10.330 -4.251 3.066 1.00 0.20 H new ATOM 0 H1' DG A 5 8.107 -3.903 3.408 1.00 0.17 H new ATOM 0 H8 DG A 5 7.105 -7.525 2.965 1.00 0.15 H new ATOM 0 H1 DG A 5 7.299 -5.612 9.051 1.00 0.17 H new ATOM 0 H21 DG A 5 8.751 -2.726 7.766 1.00 0.23 H new ATOM 0 H22 DG A 5 8.191 -3.614 9.187 1.00 0.23 H new ATOM 161 P DC A 6 11.053 -4.768 -0.863 1.00 0.16 P ATOM 162 OP1 DC A 6 11.042 -6.209 -1.201 1.00 0.33 O ATOM 163 OP2 DC A 6 12.224 -3.936 -1.216 1.00 0.40 O ATOM 164 O5' DC A 6 9.739 -4.090 -1.502 1.00 0.23 O ATOM 165 C5' DC A 6 9.414 -4.272 -2.886 1.00 0.14 C ATOM 166 C4' DC A 6 9.802 -3.052 -3.723 1.00 0.06 C ATOM 167 O4' DC A 6 9.195 -1.850 -3.191 1.00 0.12 O ATOM 168 C3' DC A 6 11.316 -2.844 -3.738 1.00 0.12 C ATOM 169 O3' DC A 6 11.846 -3.009 -5.062 1.00 0.15 O ATOM 170 C2' DC A 6 11.536 -1.441 -3.244 1.00 0.17 C ATOM 171 C1' DC A 6 10.175 -0.793 -3.124 1.00 0.16 C ATOM 172 N1 DC A 6 10.063 -0.035 -1.857 1.00 0.16 N ATOM 173 C2 DC A 6 10.359 1.320 -1.892 1.00 0.10 C ATOM 174 O2 DC A 6 10.693 1.849 -2.949 1.00 0.13 O ATOM 175 N3 DC A 6 10.267 2.031 -0.734 1.00 0.09 N ATOM 176 C4 DC A 6 9.901 1.440 0.410 1.00 0.12 C ATOM 177 N4 DC A 6 9.821 2.166 1.525 1.00 0.11 N ATOM 178 C5 DC A 6 9.595 0.044 0.452 1.00 0.23 C ATOM 179 C6 DC A 6 9.689 -0.653 -0.698 1.00 0.24 C ATOM 0 H5' DC A 6 8.345 -4.458 -2.987 1.00 0.14 H new ATOM 0 H5'' DC A 6 9.928 -5.154 -3.268 1.00 0.14 H new ATOM 0 H4' DC A 6 9.446 -3.241 -4.736 1.00 0.06 H new ATOM 0 H3' DC A 6 11.826 -3.576 -3.111 1.00 0.12 H new ATOM 0 H2' DC A 6 12.046 -1.447 -2.281 1.00 0.17 H new ATOM 0 H2'' DC A 6 12.168 -0.884 -3.935 1.00 0.17 H new ATOM 0 H1' DC A 6 10.015 -0.077 -3.930 1.00 0.16 H new ATOM 0 H41 DC A 6 9.543 1.725 2.402 1.00 0.11 H new ATOM 0 H42 DC A 6 10.038 3.162 1.501 1.00 0.11 H new ATOM 0 H5 DC A 6 9.299 -0.436 1.373 1.00 0.23 H new ATOM 0 H6 DC A 6 9.467 -1.710 -0.703 1.00 0.24 H new ATOM 191 P DG A 7 11.297 -2.125 -6.291 1.00 0.15 P ATOM 192 OP1 DG A 7 12.325 -2.122 -7.356 1.00 0.19 O ATOM 193 OP2 DG A 7 10.790 -0.842 -5.753 1.00 0.18 O ATOM 194 O5' DG A 7 10.038 -2.986 -6.809 1.00 0.14 O ATOM 195 C5' DG A 7 8.885 -2.333 -7.359 1.00 0.15 C ATOM 196 C4' DG A 7 7.793 -3.317 -7.753 1.00 0.12 C ATOM 197 O4' DG A 7 7.367 -4.091 -6.605 1.00 0.13 O ATOM 198 C3' DG A 7 6.569 -2.583 -8.290 1.00 0.11 C ATOM 199 O3' DG A 7 6.057 -3.225 -9.466 1.00 0.12 O ATOM 200 C2' DG A 7 5.567 -2.652 -7.181 1.00 0.11 C ATOM 201 C1' DG A 7 5.972 -3.837 -6.334 1.00 0.11 C ATOM 202 N9 DG A 7 5.748 -3.586 -4.901 1.00 0.13 N ATOM 203 C8 DG A 7 5.236 -4.410 -3.958 1.00 0.17 C ATOM 204 N7 DG A 7 5.164 -3.964 -2.751 1.00 0.22 N ATOM 205 C5 DG A 7 5.687 -2.675 -2.888 1.00 0.15 C ATOM 206 C6 DG A 7 5.877 -1.662 -1.911 1.00 0.16 C ATOM 207 O6 DG A 7 5.622 -1.703 -0.710 1.00 0.27 O ATOM 208 N1 DG A 7 6.429 -0.515 -2.469 1.00 0.09 N ATOM 209 C2 DG A 7 6.758 -0.359 -3.802 1.00 0.06 C ATOM 210 N2 DG A 7 7.265 0.822 -4.151 1.00 0.07 N ATOM 211 N3 DG A 7 6.583 -1.309 -4.725 1.00 0.09 N ATOM 212 C4 DG A 7 6.047 -2.436 -4.204 1.00 0.10 C ATOM 0 H5' DG A 7 9.182 -1.754 -8.234 1.00 0.15 H new ATOM 0 H5'' DG A 7 8.488 -1.627 -6.629 1.00 0.15 H new ATOM 0 H4' DG A 7 8.209 -3.969 -8.521 1.00 0.12 H new ATOM 0 H3' DG A 7 6.804 -1.558 -8.577 1.00 0.11 H new ATOM 0 H2' DG A 7 5.569 -1.733 -6.595 1.00 0.11 H new ATOM 0 H2'' DG A 7 4.558 -2.778 -7.573 1.00 0.11 H new ATOM 0 H1' DG A 7 5.363 -4.705 -6.586 1.00 0.11 H new ATOM 0 H8 DG A 7 4.900 -5.406 -4.208 1.00 0.17 H new ATOM 0 H1 DG A 7 6.605 0.273 -1.846 1.00 0.09 H new ATOM 0 H21 DG A 7 7.527 0.998 -5.121 1.00 0.07 H new ATOM 0 H22 DG A 7 7.391 1.551 -3.448 1.00 0.07 H new ATOM 224 P DG A 8 5.888 -4.830 -9.529 1.00 0.14 P ATOM 225 OP1 DG A 8 7.216 -5.443 -9.302 1.00 0.27 O ATOM 226 OP2 DG A 8 5.123 -5.166 -10.751 1.00 0.29 O ATOM 227 O5' DG A 8 4.960 -5.155 -8.250 1.00 0.11 O ATOM 228 C5' DG A 8 3.533 -5.239 -8.381 1.00 0.08 C ATOM 229 C4' DG A 8 2.922 -6.318 -7.496 1.00 0.06 C ATOM 230 O4' DG A 8 3.249 -6.112 -6.098 1.00 0.08 O ATOM 231 C3' DG A 8 1.403 -6.324 -7.617 1.00 0.08 C ATOM 232 O3' DG A 8 0.940 -7.552 -8.188 1.00 0.08 O ATOM 233 C2' DG A 8 0.896 -6.156 -6.212 1.00 0.11 C ATOM 234 C1' DG A 8 2.078 -6.382 -5.305 1.00 0.10 C ATOM 235 N9 DG A 8 2.009 -5.520 -4.111 1.00 0.15 N ATOM 236 C8 DG A 8 1.640 -5.833 -2.846 1.00 0.16 C ATOM 237 N7 DG A 8 1.683 -4.893 -1.958 1.00 0.16 N ATOM 238 C5 DG A 8 2.136 -3.809 -2.719 1.00 0.13 C ATOM 239 C6 DG A 8 2.395 -2.466 -2.331 1.00 0.15 C ATOM 240 O6 DG A 8 2.282 -1.958 -1.217 1.00 0.18 O ATOM 241 N1 DG A 8 2.834 -1.700 -3.407 1.00 0.16 N ATOM 242 C2 DG A 8 3.003 -2.170 -4.699 1.00 0.16 C ATOM 243 N2 DG A 8 3.425 -1.292 -5.603 1.00 0.20 N ATOM 244 N3 DG A 8 2.761 -3.428 -5.067 1.00 0.14 N ATOM 245 C4 DG A 8 2.334 -4.189 -4.039 1.00 0.15 C ATOM 0 H5' DG A 8 3.279 -5.442 -9.421 1.00 0.08 H new ATOM 0 H5'' DG A 8 3.092 -4.275 -8.128 1.00 0.08 H new ATOM 0 H4' DG A 8 3.337 -7.267 -7.836 1.00 0.06 H new ATOM 0 H3' DG A 8 1.044 -5.532 -8.274 1.00 0.08 H new ATOM 0 H2' DG A 8 0.479 -5.160 -6.066 1.00 0.11 H new ATOM 0 H2'' DG A 8 0.100 -6.869 -5.998 1.00 0.11 H new ATOM 0 H1' DG A 8 2.098 -7.404 -4.925 1.00 0.10 H new ATOM 0 H8 DG A 8 1.321 -6.832 -2.588 1.00 0.16 H new ATOM 0 H1 DG A 8 3.047 -0.718 -3.231 1.00 0.16 H new ATOM 0 H21 DG A 8 3.567 -1.584 -6.570 1.00 0.20 H new ATOM 0 H22 DG A 8 3.607 -0.326 -5.330 1.00 0.20 H new ATOM 257 P DG A 9 -0.598 -7.718 -8.633 1.00 0.12 P ATOM 258 OP1 DG A 9 -0.717 -8.952 -9.441 1.00 0.23 O ATOM 259 OP2 DG A 9 -1.061 -6.426 -9.186 1.00 0.21 O ATOM 260 O5' DG A 9 -1.345 -7.961 -7.228 1.00 0.18 O ATOM 261 C5' DG A 9 -1.196 -9.206 -6.533 1.00 0.18 C ATOM 262 C4' DG A 9 -1.962 -9.230 -5.218 1.00 0.16 C ATOM 263 O4' DG A 9 -1.477 -8.201 -4.324 1.00 0.18 O ATOM 264 C3' DG A 9 -3.454 -8.994 -5.444 1.00 0.13 C ATOM 265 O3' DG A 9 -4.219 -10.128 -5.020 1.00 0.16 O ATOM 266 C2' DG A 9 -3.796 -7.780 -4.625 1.00 0.12 C ATOM 267 C1' DG A 9 -2.588 -7.467 -3.774 1.00 0.16 C ATOM 268 N9 DG A 9 -2.315 -6.019 -3.758 1.00 0.17 N ATOM 269 C8 DG A 9 -2.078 -5.171 -4.788 1.00 0.15 C ATOM 270 N7 DG A 9 -1.848 -3.931 -4.502 1.00 0.13 N ATOM 271 C5 DG A 9 -1.947 -3.940 -3.106 1.00 0.13 C ATOM 272 C6 DG A 9 -1.800 -2.878 -2.173 1.00 0.11 C ATOM 273 O6 DG A 9 -1.546 -1.697 -2.397 1.00 0.14 O ATOM 274 N1 DG A 9 -1.980 -3.317 -0.867 1.00 0.12 N ATOM 275 C2 DG A 9 -2.266 -4.617 -0.498 1.00 0.16 C ATOM 276 N2 DG A 9 -2.415 -4.844 0.807 1.00 0.21 N ATOM 277 N3 DG A 9 -2.403 -5.621 -1.368 1.00 0.18 N ATOM 278 C4 DG A 9 -2.233 -5.217 -2.646 1.00 0.16 C ATOM 0 H5' DG A 9 -0.139 -9.386 -6.338 1.00 0.18 H new ATOM 0 H5'' DG A 9 -1.546 -10.019 -7.169 1.00 0.18 H new ATOM 0 H4' DG A 9 -1.807 -10.215 -4.778 1.00 0.16 H new ATOM 0 H3' DG A 9 -3.684 -8.846 -6.499 1.00 0.13 H new ATOM 0 H2' DG A 9 -4.042 -6.937 -5.270 1.00 0.12 H new ATOM 0 H2'' DG A 9 -4.669 -7.969 -4.001 1.00 0.12 H new ATOM 0 H1' DG A 9 -2.762 -7.762 -2.739 1.00 0.16 H new ATOM 0 H8 DG A 9 -2.081 -5.518 -5.811 1.00 0.15 H new ATOM 0 H1 DG A 9 -1.894 -2.625 -0.122 1.00 0.12 H new ATOM 0 H21 DG A 9 -2.627 -5.784 1.140 1.00 0.21 H new ATOM 0 H22 DG A 9 -2.317 -4.077 1.472 1.00 0.21 H new ATOM 290 P DA A 10 -5.827 -10.108 -5.101 1.00 0.17 P ATOM 291 OP1 DA A 10 -6.323 -11.469 -4.801 1.00 0.27 O ATOM 292 OP2 DA A 10 -6.219 -9.441 -6.363 1.00 0.31 O ATOM 293 O5' DA A 10 -6.228 -9.143 -3.875 1.00 0.24 O ATOM 294 C5' DA A 10 -6.121 -9.602 -2.525 1.00 0.15 C ATOM 295 C4' DA A 10 -6.552 -8.526 -1.528 1.00 0.11 C ATOM 296 O4' DA A 10 -5.712 -7.352 -1.646 1.00 0.18 O ATOM 297 C3' DA A 10 -7.998 -8.096 -1.771 1.00 0.08 C ATOM 298 O3' DA A 10 -8.789 -8.297 -0.594 1.00 0.13 O ATOM 299 C2' DA A 10 -7.923 -6.636 -2.122 1.00 0.08 C ATOM 300 C1' DA A 10 -6.536 -6.172 -1.743 1.00 0.11 C ATOM 301 N9 DA A 10 -5.998 -5.220 -2.735 1.00 0.08 N ATOM 302 C8 DA A 10 -5.865 -5.340 -4.079 1.00 0.14 C ATOM 303 N7 DA A 10 -5.372 -4.335 -4.724 1.00 0.18 N ATOM 304 C5 DA A 10 -5.142 -3.423 -3.688 1.00 0.07 C ATOM 305 C6 DA A 10 -4.620 -2.124 -3.666 1.00 0.05 C ATOM 306 N6 DA A 10 -4.219 -1.478 -4.761 1.00 0.11 N ATOM 307 N1 DA A 10 -4.531 -1.513 -2.472 1.00 0.13 N ATOM 308 C2 DA A 10 -4.931 -2.138 -1.363 1.00 0.21 C ATOM 309 N3 DA A 10 -5.441 -3.362 -1.269 1.00 0.19 N ATOM 310 C4 DA A 10 -5.519 -3.954 -2.476 1.00 0.09 C ATOM 0 H5' DA A 10 -5.092 -9.896 -2.321 1.00 0.15 H new ATOM 0 H5'' DA A 10 -6.739 -10.490 -2.392 1.00 0.15 H new ATOM 0 H4' DA A 10 -6.458 -8.959 -0.532 1.00 0.11 H new ATOM 0 H3' DA A 10 -8.469 -8.678 -2.563 1.00 0.08 H new ATOM 0 H2' DA A 10 -8.106 -6.483 -3.186 1.00 0.08 H new ATOM 0 H2'' DA A 10 -8.682 -6.069 -1.584 1.00 0.08 H new ATOM 0 H1' DA A 10 -6.556 -5.638 -0.793 1.00 0.11 H new ATOM 0 H8 DA A 10 -6.161 -6.243 -4.592 1.00 0.14 H new ATOM 0 H61 DA A 10 -3.846 -0.532 -4.687 1.00 0.11 H new ATOM 0 H62 DA A 10 -4.285 -1.930 -5.673 1.00 0.11 H new ATOM 0 H2 DA A 10 -4.829 -1.588 -0.439 1.00 0.21 H new ATOM 322 P DG A 11 -8.490 -7.461 0.751 1.00 0.07 P ATOM 323 OP1 DG A 11 -7.044 -7.147 0.789 1.00 0.10 O ATOM 324 OP2 DG A 11 -9.121 -8.168 1.886 1.00 0.08 O ATOM 325 O5' DG A 11 -9.296 -6.090 0.499 1.00 0.10 O ATOM 326 C5' DG A 11 -10.677 -6.125 0.115 1.00 0.09 C ATOM 327 C4' DG A 11 -11.269 -4.735 -0.073 1.00 0.07 C ATOM 328 O4' DG A 11 -12.636 -4.824 -0.530 1.00 0.08 O ATOM 329 C3' DG A 11 -11.250 -3.944 1.233 1.00 0.11 C ATOM 330 O3' DG A 11 -10.422 -2.781 1.112 1.00 0.15 O ATOM 331 C2' DG A 11 -12.681 -3.562 1.501 1.00 0.10 C ATOM 332 C1' DG A 11 -13.522 -4.134 0.376 1.00 0.09 C ATOM 333 N9 DG A 11 -14.552 -5.054 0.899 1.00 0.11 N ATOM 334 C8 DG A 11 -14.409 -6.243 1.540 1.00 0.17 C ATOM 335 N7 DG A 11 -15.483 -6.864 1.895 1.00 0.21 N ATOM 336 C5 DG A 11 -16.479 -5.993 1.441 1.00 0.17 C ATOM 337 C6 DG A 11 -17.893 -6.107 1.526 1.00 0.19 C ATOM 338 O6 DG A 11 -18.556 -7.012 2.027 1.00 0.25 O ATOM 339 N1 DG A 11 -18.527 -5.015 0.945 1.00 0.16 N ATOM 340 C2 DG A 11 -17.886 -3.945 0.355 1.00 0.17 C ATOM 341 N2 DG A 11 -18.672 -2.993 -0.150 1.00 0.18 N ATOM 342 N3 DG A 11 -16.556 -3.831 0.271 1.00 0.14 N ATOM 343 C4 DG A 11 -15.916 -4.883 0.830 1.00 0.12 C ATOM 0 H5' DG A 11 -11.248 -6.659 0.875 1.00 0.09 H new ATOM 0 H5'' DG A 11 -10.778 -6.687 -0.813 1.00 0.09 H new ATOM 0 H4' DG A 11 -10.657 -4.223 -0.816 1.00 0.07 H new ATOM 0 H3' DG A 11 -10.836 -4.532 2.052 1.00 0.11 H new ATOM 0 H2' DG A 11 -13.009 -3.955 2.463 1.00 0.10 H new ATOM 0 H2'' DG A 11 -12.787 -2.478 1.546 1.00 0.10 H new ATOM 0 H1' DG A 11 -14.045 -3.331 -0.143 1.00 0.09 H new ATOM 0 H8 DG A 11 -13.432 -6.654 1.745 1.00 0.17 H new ATOM 0 H1 DG A 11 -19.547 -5.004 0.956 1.00 0.16 H new ATOM 0 H21 DG A 11 -18.259 -2.176 -0.599 1.00 0.18 H new ATOM 0 H22 DG A 11 -19.686 -3.082 -0.087 1.00 0.18 H new ATOM 355 P DG A 12 -10.753 -1.642 0.022 1.00 0.14 P ATOM 356 OP1 DG A 12 -11.308 -2.298 -1.183 1.00 0.09 O ATOM 357 OP2 DG A 12 -9.571 -0.760 -0.099 1.00 0.22 O ATOM 358 O5' DG A 12 -11.934 -0.807 0.731 1.00 0.13 O ATOM 359 C5' DG A 12 -11.639 0.130 1.778 1.00 0.15 C ATOM 360 C4' DG A 12 -11.958 -0.421 3.161 1.00 0.09 C ATOM 361 O4' DG A 12 -11.229 -1.645 3.402 1.00 0.10 O ATOM 362 C3' DG A 12 -11.583 0.580 4.250 1.00 0.06 C ATOM 363 O3' DG A 12 -12.745 1.021 4.962 1.00 0.08 O ATOM 364 C2' DG A 12 -10.639 -0.146 5.167 1.00 0.07 C ATOM 365 C1' DG A 12 -10.491 -1.560 4.638 1.00 0.08 C ATOM 366 N9 DG A 12 -9.066 -1.891 4.422 1.00 0.07 N ATOM 367 C8 DG A 12 -8.145 -1.303 3.610 1.00 0.13 C ATOM 368 N7 DG A 12 -6.951 -1.795 3.608 1.00 0.15 N ATOM 369 C5 DG A 12 -7.071 -2.841 4.528 1.00 0.14 C ATOM 370 C6 DG A 12 -6.098 -3.776 4.973 1.00 0.24 C ATOM 371 O6 DG A 12 -4.918 -3.865 4.641 1.00 0.30 O ATOM 372 N1 DG A 12 -6.629 -4.662 5.902 1.00 0.29 N ATOM 373 C2 DG A 12 -7.936 -4.657 6.349 1.00 0.27 C ATOM 374 N2 DG A 12 -8.257 -5.590 7.244 1.00 0.35 N ATOM 375 N3 DG A 12 -8.858 -3.781 5.935 1.00 0.17 N ATOM 376 C4 DG A 12 -8.363 -2.907 5.029 1.00 0.10 C ATOM 0 H5' DG A 12 -12.210 1.044 1.614 1.00 0.15 H new ATOM 0 H5'' DG A 12 -10.584 0.400 1.733 1.00 0.15 H new ATOM 0 H4' DG A 12 -13.031 -0.612 3.192 1.00 0.09 H new ATOM 0 H3' DG A 12 -11.122 1.473 3.827 1.00 0.06 H new ATOM 0 H2' DG A 12 -9.672 0.356 5.198 1.00 0.07 H new ATOM 0 H2'' DG A 12 -11.025 -0.156 6.186 1.00 0.07 H new ATOM 0 H1' DG A 12 -10.882 -2.277 5.360 1.00 0.08 H new ATOM 0 H8 DG A 12 -8.403 -0.457 2.991 1.00 0.13 H new ATOM 0 H1 DG A 12 -6.005 -5.372 6.284 1.00 0.29 H new ATOM 0 H21 DG A 12 -9.207 -5.638 7.612 1.00 0.35 H new ATOM 0 H22 DG A 12 -7.553 -6.256 7.561 1.00 0.35 H new ATOM 388 P DA A 13 -13.546 2.334 4.488 1.00 0.13 P ATOM 389 OP1 DA A 13 -14.735 2.490 5.355 1.00 0.15 O ATOM 390 OP2 DA A 13 -13.708 2.274 3.018 1.00 0.14 O ATOM 391 O5' DA A 13 -12.512 3.521 4.832 1.00 0.18 O ATOM 392 C5' DA A 13 -12.869 4.887 4.601 1.00 0.17 C ATOM 393 C4' DA A 13 -11.640 5.793 4.592 1.00 0.13 C ATOM 394 O4' DA A 13 -10.959 5.741 5.865 1.00 0.12 O ATOM 395 C3' DA A 13 -10.662 5.357 3.510 1.00 0.18 C ATOM 396 O3' DA A 13 -10.410 6.427 2.591 1.00 0.18 O ATOM 397 C2' DA A 13 -9.406 4.951 4.231 1.00 0.17 C ATOM 398 C1' DA A 13 -9.658 5.137 5.713 1.00 0.15 C ATOM 399 N9 DA A 13 -9.602 3.843 6.419 1.00 0.21 N ATOM 400 C8 DA A 13 -8.588 2.950 6.506 1.00 0.28 C ATOM 401 N7 DA A 13 -8.800 1.871 7.183 1.00 0.32 N ATOM 402 C5 DA A 13 -10.120 2.059 7.604 1.00 0.30 C ATOM 403 C6 DA A 13 -10.988 1.279 8.378 1.00 0.35 C ATOM 404 N6 DA A 13 -10.646 0.097 8.890 1.00 0.44 N ATOM 405 N1 DA A 13 -12.222 1.765 8.602 1.00 0.33 N ATOM 406 C2 DA A 13 -12.585 2.945 8.097 1.00 0.26 C ATOM 407 N3 DA A 13 -11.846 3.764 7.353 1.00 0.20 N ATOM 408 C4 DA A 13 -10.615 3.256 7.143 1.00 0.23 C ATOM 0 H5' DA A 13 -13.561 5.219 5.375 1.00 0.17 H new ATOM 0 H5'' DA A 13 -13.391 4.971 3.648 1.00 0.17 H new ATOM 0 H4' DA A 13 -11.983 6.809 4.396 1.00 0.13 H new ATOM 0 H3' DA A 13 -11.060 4.533 2.918 1.00 0.18 H new ATOM 0 H2' DA A 13 -9.155 3.913 4.011 1.00 0.17 H new ATOM 0 H2'' DA A 13 -8.562 5.559 3.905 1.00 0.17 H new ATOM 0 H1' DA A 13 -8.890 5.777 6.147 1.00 0.15 H new ATOM 0 H8 DA A 13 -7.637 3.133 6.027 1.00 0.28 H new ATOM 0 H61 DA A 13 -11.318 -0.431 9.447 1.00 0.44 H new ATOM 0 H62 DA A 13 -9.713 -0.280 8.724 1.00 0.44 H new ATOM 0 H2 DA A 13 -13.591 3.272 8.316 1.00 0.26 H new ATOM 420 P DA A 14 -9.736 7.803 3.086 1.00 0.14 P ATOM 421 OP1 DA A 14 -9.845 7.869 4.560 1.00 0.14 O ATOM 422 OP2 DA A 14 -10.270 8.906 2.256 1.00 0.18 O ATOM 423 O5' DA A 14 -8.186 7.589 2.704 1.00 0.12 O ATOM 424 C5' DA A 14 -7.792 7.431 1.337 1.00 0.06 C ATOM 425 C4' DA A 14 -6.632 6.449 1.198 1.00 0.08 C ATOM 426 O4' DA A 14 -6.999 5.164 1.746 1.00 0.08 O ATOM 427 C3' DA A 14 -6.263 6.242 -0.267 1.00 0.13 C ATOM 428 O3' DA A 14 -4.842 6.302 -0.449 1.00 0.12 O ATOM 429 C2' DA A 14 -6.785 4.878 -0.617 1.00 0.17 C ATOM 430 C1' DA A 14 -7.149 4.194 0.686 1.00 0.12 C ATOM 431 N9 DA A 14 -8.529 3.678 0.636 1.00 0.09 N ATOM 432 C8 DA A 14 -8.984 2.412 0.791 1.00 0.10 C ATOM 433 N7 DA A 14 -10.257 2.219 0.692 1.00 0.07 N ATOM 434 C5 DA A 14 -10.719 3.514 0.439 1.00 0.04 C ATOM 435 C6 DA A 14 -11.999 4.038 0.225 1.00 0.04 C ATOM 436 N6 DA A 14 -13.103 3.292 0.232 1.00 0.11 N ATOM 437 N1 DA A 14 -12.097 5.361 0.003 1.00 0.08 N ATOM 438 C2 DA A 14 -11.003 6.126 -0.007 1.00 0.10 C ATOM 439 N3 DA A 14 -9.747 5.735 0.184 1.00 0.10 N ATOM 440 C4 DA A 14 -9.674 4.408 0.403 1.00 0.07 C ATOM 0 H5' DA A 14 -7.502 8.398 0.927 1.00 0.06 H new ATOM 0 H5'' DA A 14 -8.641 7.078 0.751 1.00 0.06 H new ATOM 0 H4' DA A 14 -5.783 6.869 1.737 1.00 0.08 H new ATOM 0 H3' DA A 14 -6.689 7.017 -0.904 1.00 0.13 H new ATOM 0 H2' DA A 14 -7.655 4.954 -1.269 1.00 0.17 H new ATOM 0 H2'' DA A 14 -6.032 4.304 -1.157 1.00 0.17 H new ATOM 0 H1' DA A 14 -6.495 3.340 0.862 1.00 0.12 H new ATOM 0 H8 DA A 14 -8.307 1.594 0.990 1.00 0.10 H new ATOM 0 H61 DA A 14 -14.012 3.725 0.070 1.00 0.11 H new ATOM 0 H62 DA A 14 -13.039 2.288 0.399 1.00 0.11 H new ATOM 0 H2 DA A 14 -11.155 7.179 -0.191 1.00 0.10 H new ATOM 452 P DT A 15 -4.150 7.621 -1.061 1.00 0.14 P ATOM 453 OP1 DT A 15 -4.052 8.634 0.013 1.00 0.28 O ATOM 454 OP2 DT A 15 -4.835 7.956 -2.331 1.00 0.29 O ATOM 455 O5' DT A 15 -2.662 7.112 -1.411 1.00 0.17 O ATOM 456 C5' DT A 15 -2.037 7.488 -2.643 1.00 0.11 C ATOM 457 C4' DT A 15 -2.180 6.396 -3.704 1.00 0.07 C ATOM 458 O4' DT A 15 -1.915 5.092 -3.137 1.00 0.08 O ATOM 459 C3' DT A 15 -3.587 6.379 -4.299 1.00 0.09 C ATOM 460 O3' DT A 15 -3.539 6.553 -5.721 1.00 0.11 O ATOM 461 C2' DT A 15 -4.154 5.034 -3.941 1.00 0.09 C ATOM 462 C1' DT A 15 -3.003 4.191 -3.435 1.00 0.07 C ATOM 463 N1 DT A 15 -3.401 3.429 -2.235 1.00 0.08 N ATOM 464 C2 DT A 15 -3.740 2.098 -2.402 1.00 0.09 C ATOM 465 O2 DT A 15 -3.700 1.545 -3.499 1.00 0.13 O ATOM 466 N3 DT A 15 -4.127 1.423 -1.260 1.00 0.10 N ATOM 467 C4 DT A 15 -4.203 1.955 0.015 1.00 0.08 C ATOM 468 O4 DT A 15 -4.563 1.261 0.963 1.00 0.09 O ATOM 469 C5 DT A 15 -3.831 3.350 0.092 1.00 0.08 C ATOM 470 C7 DT A 15 -3.885 4.071 1.435 1.00 0.12 C ATOM 471 C6 DT A 15 -3.448 4.030 -1.007 1.00 0.09 C ATOM 0 H5' DT A 15 -0.980 7.690 -2.468 1.00 0.11 H new ATOM 0 H5'' DT A 15 -2.482 8.413 -3.010 1.00 0.11 H new ATOM 0 H4' DT A 15 -1.455 6.619 -4.487 1.00 0.07 H new ATOM 0 H3' DT A 15 -4.202 7.191 -3.911 1.00 0.09 H new ATOM 0 H2' DT A 15 -4.926 5.131 -3.178 1.00 0.09 H new ATOM 0 H2'' DT A 15 -4.621 4.569 -4.809 1.00 0.09 H new ATOM 0 H1' DT A 15 -2.700 3.462 -4.186 1.00 0.07 H new ATOM 0 H3 DT A 15 -4.380 0.441 -1.367 1.00 0.10 H new ATOM 0 H71 DT A 15 -4.666 3.629 2.054 1.00 0.12 H new ATOM 0 H72 DT A 15 -2.924 3.973 1.939 1.00 0.12 H new ATOM 0 H73 DT A 15 -4.104 5.126 1.273 1.00 0.12 H new ATOM 0 H6 DT A 15 -3.173 5.070 -0.916 1.00 0.09 H new ATOM 484 P DT A 16 -2.981 5.380 -6.674 1.00 0.17 P ATOM 485 OP1 DT A 16 -1.863 4.706 -5.975 1.00 0.28 O ATOM 486 OP2 DT A 16 -2.772 5.940 -8.028 1.00 0.37 O ATOM 487 O5' DT A 16 -4.226 4.358 -6.737 1.00 0.15 O ATOM 488 C5' DT A 16 -4.012 2.945 -6.815 1.00 0.12 C ATOM 489 C4' DT A 16 -4.928 2.295 -7.850 1.00 0.09 C ATOM 490 O4' DT A 16 -6.319 2.508 -7.505 1.00 0.11 O ATOM 491 C3' DT A 16 -4.690 2.891 -9.235 1.00 0.11 C ATOM 492 O3' DT A 16 -4.504 1.863 -10.219 1.00 0.10 O ATOM 493 C2' DT A 16 -5.926 3.692 -9.538 1.00 0.17 C ATOM 494 C1' DT A 16 -6.981 3.278 -8.535 1.00 0.12 C ATOM 495 N1 DT A 16 -7.653 4.461 -7.955 1.00 0.13 N ATOM 496 C2 DT A 16 -8.908 4.789 -8.437 1.00 0.20 C ATOM 497 O2 DT A 16 -9.457 4.140 -9.325 1.00 0.31 O ATOM 498 N3 DT A 16 -9.510 5.891 -7.860 1.00 0.23 N ATOM 499 C4 DT A 16 -8.975 6.681 -6.858 1.00 0.24 C ATOM 500 O4 DT A 16 -9.601 7.642 -6.416 1.00 0.32 O ATOM 501 C5 DT A 16 -7.661 6.264 -6.418 1.00 0.22 C ATOM 502 C7 DT A 16 -6.957 7.041 -5.310 1.00 0.35 C ATOM 503 C6 DT A 16 -7.053 5.192 -6.968 1.00 0.15 C ATOM 0 H5' DT A 16 -4.189 2.495 -5.838 1.00 0.12 H new ATOM 0 H5'' DT A 16 -2.972 2.747 -7.074 1.00 0.12 H new ATOM 0 H4' DT A 16 -4.702 1.229 -7.859 1.00 0.09 H new ATOM 0 H3' DT A 16 -3.787 3.502 -9.256 1.00 0.11 H new ATOM 0 H2' DT A 16 -5.721 4.760 -9.463 1.00 0.17 H new ATOM 0 H2'' DT A 16 -6.267 3.504 -10.556 1.00 0.17 H new ATOM 0 H1' DT A 16 -7.753 2.682 -9.022 1.00 0.12 H new ATOM 0 H3 DT A 16 -10.435 6.146 -8.205 1.00 0.23 H new ATOM 0 H71 DT A 16 -6.308 6.368 -4.749 1.00 0.35 H new ATOM 0 H72 DT A 16 -6.359 7.840 -5.749 1.00 0.35 H new ATOM 0 H73 DT A 16 -7.700 7.471 -4.639 1.00 0.35 H new ATOM 0 H6 DT A 16 -6.071 4.906 -6.621 1.00 0.15 H new ATOM 516 P DG A 17 -3.418 0.691 -10.004 1.00 0.14 P ATOM 517 OP1 DG A 17 -3.389 -0.140 -11.229 1.00 0.20 O ATOM 518 OP2 DG A 17 -3.673 0.060 -8.691 1.00 0.14 O ATOM 519 O5' DG A 17 -2.028 1.498 -9.913 1.00 0.21 O ATOM 520 C5' DG A 17 -0.802 0.797 -9.662 1.00 0.21 C ATOM 521 C4' DG A 17 0.427 1.642 -9.964 1.00 0.12 C ATOM 522 O4' DG A 17 0.483 2.780 -9.077 1.00 0.14 O ATOM 523 C3' DG A 17 1.708 0.842 -9.756 1.00 0.12 C ATOM 524 O3' DG A 17 2.667 1.147 -10.776 1.00 0.13 O ATOM 525 C2' DG A 17 2.215 1.279 -8.424 1.00 0.18 C ATOM 526 C1' DG A 17 1.596 2.636 -8.164 1.00 0.16 C ATOM 527 N9 DG A 17 1.147 2.775 -6.763 1.00 0.15 N ATOM 528 C8 DG A 17 1.202 3.858 -5.955 1.00 0.19 C ATOM 529 N7 DG A 17 0.742 3.738 -4.758 1.00 0.16 N ATOM 530 C5 DG A 17 0.317 2.409 -4.745 1.00 0.09 C ATOM 531 C6 DG A 17 -0.287 1.662 -3.701 1.00 0.07 C ATOM 532 O6 DG A 17 -0.564 2.035 -2.563 1.00 0.09 O ATOM 533 N1 DG A 17 -0.561 0.357 -4.098 1.00 0.12 N ATOM 534 C2 DG A 17 -0.285 -0.167 -5.346 1.00 0.18 C ATOM 535 N2 DG A 17 -0.623 -1.445 -5.540 1.00 0.25 N ATOM 536 N3 DG A 17 0.286 0.532 -6.337 1.00 0.17 N ATOM 537 C4 DG A 17 0.560 1.807 -5.970 1.00 0.12 C ATOM 0 H5' DG A 17 -0.774 -0.108 -10.269 1.00 0.21 H new ATOM 0 H5'' DG A 17 -0.775 0.482 -8.619 1.00 0.21 H new ATOM 0 H4' DG A 17 0.349 1.962 -11.003 1.00 0.12 H new ATOM 0 H3' DG A 17 1.532 -0.233 -9.803 1.00 0.12 H new ATOM 0 H2' DG A 17 1.934 0.567 -7.648 1.00 0.18 H new ATOM 0 H2'' DG A 17 3.303 1.340 -8.422 1.00 0.18 H new ATOM 0 H1' DG A 17 2.336 3.419 -8.326 1.00 0.16 H new ATOM 0 H8 DG A 17 1.618 4.792 -6.302 1.00 0.19 H new ATOM 0 H1 DG A 17 -1.000 -0.261 -3.415 1.00 0.12 H new ATOM 0 H21 DG A 17 -0.445 -1.889 -6.441 1.00 0.25 H new ATOM 0 H22 DG A 17 -1.059 -1.977 -4.787 1.00 0.25 H new ATOM 549 P DG A 18 2.950 2.678 -11.202 1.00 0.06 P ATOM 550 OP1 DG A 18 1.680 3.267 -11.684 1.00 0.17 O ATOM 551 OP2 DG A 18 4.147 2.700 -12.071 1.00 0.12 O ATOM 552 O5' DG A 18 3.333 3.385 -9.802 1.00 0.13 O ATOM 553 C5' DG A 18 4.702 3.493 -9.394 1.00 0.15 C ATOM 554 C4' DG A 18 4.957 4.671 -8.459 1.00 0.07 C ATOM 555 O4' DG A 18 4.082 4.613 -7.306 1.00 0.11 O ATOM 556 C3' DG A 18 6.399 4.665 -7.955 1.00 0.08 C ATOM 557 O3' DG A 18 7.016 5.941 -8.163 1.00 0.12 O ATOM 558 C2' DG A 18 6.302 4.346 -6.491 1.00 0.12 C ATOM 559 C1' DG A 18 4.860 4.543 -6.090 1.00 0.05 C ATOM 560 N9 DG A 18 4.414 3.427 -5.247 1.00 0.09 N ATOM 561 C8 DG A 18 4.105 2.166 -5.607 1.00 0.18 C ATOM 562 N7 DG A 18 3.753 1.348 -4.676 1.00 0.24 N ATOM 563 C5 DG A 18 3.837 2.153 -3.541 1.00 0.16 C ATOM 564 C6 DG A 18 3.575 1.834 -2.185 1.00 0.17 C ATOM 565 O6 DG A 18 3.212 0.756 -1.714 1.00 0.25 O ATOM 566 N1 DG A 18 3.781 2.930 -1.355 1.00 0.11 N ATOM 567 C2 DG A 18 4.189 4.180 -1.778 1.00 0.12 C ATOM 568 N2 DG A 18 4.338 5.104 -0.828 1.00 0.20 N ATOM 569 N3 DG A 18 4.436 4.488 -3.056 1.00 0.12 N ATOM 570 C4 DG A 18 4.241 3.433 -3.880 1.00 0.09 C ATOM 0 H5' DG A 18 5.331 3.596 -10.278 1.00 0.15 H new ATOM 0 H5'' DG A 18 5.000 2.570 -8.896 1.00 0.15 H new ATOM 0 H4' DG A 18 4.765 5.579 -9.030 1.00 0.07 H new ATOM 0 H3' DG A 18 7.014 3.939 -8.487 1.00 0.08 H new ATOM 0 H2' DG A 18 6.619 3.321 -6.298 1.00 0.12 H new ATOM 0 H2'' DG A 18 6.956 4.997 -5.911 1.00 0.12 H new ATOM 0 H1' DG A 18 4.737 5.458 -5.511 1.00 0.05 H new ATOM 0 H8 DG A 18 4.151 1.852 -6.639 1.00 0.18 H new ATOM 0 H1 DG A 18 3.618 2.801 -0.356 1.00 0.11 H new ATOM 0 H21 DG A 18 4.637 6.047 -1.076 1.00 0.20 H new ATOM 0 H22 DG A 18 4.153 4.868 0.147 1.00 0.20 H new ATOM 582 P DG A 19 8.459 6.266 -7.527 1.00 0.11 P ATOM 583 OP1 DG A 19 8.920 7.567 -8.062 1.00 0.16 O ATOM 584 OP2 DG A 19 9.312 5.065 -7.671 1.00 0.13 O ATOM 585 O5' DG A 19 8.113 6.455 -5.965 1.00 0.10 O ATOM 586 C5' DG A 19 7.345 7.586 -5.529 1.00 0.11 C ATOM 587 C4' DG A 19 7.558 7.910 -4.062 1.00 0.09 C ATOM 588 O4' DG A 19 6.809 7.024 -3.200 1.00 0.14 O ATOM 589 C3' DG A 19 9.021 7.780 -3.683 1.00 0.08 C ATOM 590 O3' DG A 19 9.678 9.061 -3.698 1.00 0.06 O ATOM 591 C2' DG A 19 9.037 7.109 -2.338 1.00 0.09 C ATOM 592 C1' DG A 19 7.614 6.659 -2.052 1.00 0.11 C ATOM 593 N9 DG A 19 7.553 5.205 -1.824 1.00 0.10 N ATOM 594 C8 DG A 19 7.597 4.200 -2.726 1.00 0.12 C ATOM 595 N7 DG A 19 7.453 2.994 -2.289 1.00 0.12 N ATOM 596 C5 DG A 19 7.294 3.204 -0.917 1.00 0.10 C ATOM 597 C6 DG A 19 7.092 2.262 0.130 1.00 0.11 C ATOM 598 O6 DG A 19 7.003 1.038 0.047 1.00 0.15 O ATOM 599 N1 DG A 19 6.986 2.888 1.368 1.00 0.12 N ATOM 600 C2 DG A 19 7.067 4.252 1.576 1.00 0.11 C ATOM 601 N2 DG A 19 6.971 4.660 2.840 1.00 0.13 N ATOM 602 N3 DG A 19 7.253 5.145 0.594 1.00 0.09 N ATOM 603 C4 DG A 19 7.359 4.557 -0.620 1.00 0.08 C ATOM 0 H5' DG A 19 6.287 7.390 -5.703 1.00 0.11 H new ATOM 0 H5'' DG A 19 7.612 8.455 -6.131 1.00 0.11 H new ATOM 0 H4' DG A 19 7.214 8.935 -3.926 1.00 0.09 H new ATOM 0 H3' DG A 19 9.583 7.182 -4.400 1.00 0.08 H new ATOM 0 H2' DG A 19 9.718 6.258 -2.339 1.00 0.09 H new ATOM 0 H2'' DG A 19 9.387 7.796 -1.568 1.00 0.09 H new ATOM 0 H1' DG A 19 7.242 7.140 -1.147 1.00 0.11 H new ATOM 0 H8 DG A 19 7.748 4.399 -3.777 1.00 0.12 H new ATOM 0 H1 DG A 19 6.837 2.295 2.184 1.00 0.12 H new ATOM 0 H21 DG A 19 7.023 5.655 3.060 1.00 0.13 H new ATOM 0 H22 DG A 19 6.845 3.978 3.588 1.00 0.13 H new ATOM 615 P DC A 20 9.092 10.342 -2.907 1.00 0.06 P ATOM 616 OP1 DC A 20 7.616 10.242 -2.898 1.00 0.13 O ATOM 617 OP2 DC A 20 9.733 11.551 -3.470 1.00 0.16 O ATOM 618 O5' DC A 20 9.606 10.175 -1.392 1.00 0.05 O ATOM 619 C5' DC A 20 8.672 9.903 -0.340 1.00 0.09 C ATOM 620 C4' DC A 20 8.052 11.184 0.215 1.00 0.10 C ATOM 621 O4' DC A 20 9.072 12.158 0.538 1.00 0.12 O ATOM 622 C3' DC A 20 7.098 11.813 -0.800 1.00 0.10 C ATOM 623 O3' DC A 20 5.783 11.948 -0.245 1.00 0.18 O ATOM 624 C2' DC A 20 7.683 13.159 -1.117 1.00 0.14 C ATOM 625 C1' DC A 20 8.778 13.417 -0.104 1.00 0.13 C ATOM 626 N1 DC A 20 9.981 13.958 -0.763 1.00 0.12 N ATOM 627 C2 DC A 20 10.255 15.309 -0.614 1.00 0.16 C ATOM 628 O2 DC A 20 9.505 16.020 0.051 1.00 0.20 O ATOM 629 N3 DC A 20 11.365 15.812 -1.221 1.00 0.18 N ATOM 630 C4 DC A 20 12.172 15.021 -1.942 1.00 0.14 C ATOM 631 N4 DC A 20 13.251 15.545 -2.524 1.00 0.19 N ATOM 632 C5 DC A 20 11.890 13.628 -2.096 1.00 0.19 C ATOM 633 C6 DC A 20 10.788 13.143 -1.490 1.00 0.19 C ATOM 0 H5' DC A 20 9.176 9.366 0.463 1.00 0.09 H new ATOM 0 H5'' DC A 20 7.883 9.250 -0.714 1.00 0.09 H new ATOM 0 H4' DC A 20 7.506 10.908 1.117 1.00 0.10 H new ATOM 0 H3' DC A 20 6.995 11.197 -1.693 1.00 0.10 H new ATOM 0 H2' DC A 20 8.084 13.176 -2.130 1.00 0.14 H new ATOM 0 H2'' DC A 20 6.918 13.934 -1.064 1.00 0.14 H new ATOM 0 H1' DC A 20 8.454 14.155 0.630 1.00 0.13 H new ATOM 0 H41 DC A 20 13.872 14.952 -3.075 1.00 0.19 H new ATOM 0 H42 DC A 20 13.456 16.539 -2.418 1.00 0.19 H new ATOM 0 H5 DC A 20 12.537 12.987 -2.677 1.00 0.19 H new ATOM 0 H6 DC A 20 10.544 12.095 -1.584 1.00 0.19 H new ATOM 645 P DG A 21 4.490 12.019 -1.208 1.00 0.12 P ATOM 646 OP1 DG A 21 4.869 12.755 -2.434 1.00 0.15 O ATOM 647 OP2 DG A 21 3.337 12.476 -0.401 1.00 0.23 O ATOM 648 O5' DG A 21 4.256 10.473 -1.602 1.00 0.20 O ATOM 649 C5' DG A 21 2.973 9.851 -1.422 1.00 0.24 C ATOM 650 C4' DG A 21 2.450 9.998 0.000 1.00 0.21 C ATOM 651 O4' DG A 21 1.221 9.255 0.180 1.00 0.21 O ATOM 652 C3' DG A 21 3.463 9.479 1.015 1.00 0.15 C ATOM 653 O3' DG A 21 3.976 10.550 1.812 1.00 0.21 O ATOM 654 C2' DG A 21 2.716 8.489 1.864 1.00 0.16 C ATOM 655 C1' DG A 21 1.267 8.535 1.430 1.00 0.18 C ATOM 656 N9 DG A 21 0.724 7.171 1.287 1.00 0.16 N ATOM 657 C8 DG A 21 0.193 6.352 2.228 1.00 0.18 C ATOM 658 N7 DG A 21 -0.194 5.180 1.853 1.00 0.22 N ATOM 659 C5 DG A 21 0.111 5.202 0.489 1.00 0.18 C ATOM 660 C6 DG A 21 -0.074 4.199 -0.500 1.00 0.21 C ATOM 661 O6 DG A 21 -0.549 3.074 -0.363 1.00 0.29 O ATOM 662 N1 DG A 21 0.365 4.626 -1.747 1.00 0.17 N ATOM 663 C2 DG A 21 0.916 5.866 -2.014 1.00 0.12 C ATOM 664 N2 DG A 21 1.276 6.097 -3.276 1.00 0.15 N ATOM 665 N3 DG A 21 1.094 6.813 -1.088 1.00 0.14 N ATOM 666 C4 DG A 21 0.673 6.420 0.135 1.00 0.13 C ATOM 0 H5' DG A 21 3.048 8.792 -1.671 1.00 0.24 H new ATOM 0 H5'' DG A 21 2.258 10.292 -2.116 1.00 0.24 H new ATOM 0 H4' DG A 21 2.272 11.061 0.161 1.00 0.21 H new ATOM 0 H3' DG A 21 4.322 9.018 0.526 1.00 0.15 H new ATOM 0 H2' DG A 21 3.125 7.487 1.737 1.00 0.16 H new ATOM 0 H2'' DG A 21 2.810 8.740 2.921 1.00 0.16 H new ATOM 0 H1' DG A 21 0.652 9.038 2.176 1.00 0.18 H new ATOM 0 H8 DG A 21 0.097 6.670 3.256 1.00 0.18 H new ATOM 0 H1 DG A 21 0.274 3.974 -2.526 1.00 0.17 H new ATOM 0 H21 DG A 21 1.688 6.994 -3.533 1.00 0.15 H new ATOM 0 H22 DG A 21 1.139 5.377 -3.985 1.00 0.15 H new ATOM 678 P DG A 22 5.363 10.379 2.611 1.00 0.17 P ATOM 679 OP1 DG A 22 5.685 11.667 3.263 1.00 0.22 O ATOM 680 OP2 DG A 22 6.344 9.745 1.702 1.00 0.13 O ATOM 681 O5' DG A 22 4.980 9.316 3.754 1.00 0.21 O ATOM 682 C5' DG A 22 4.362 9.748 4.973 1.00 0.11 C ATOM 683 C4' DG A 22 4.317 8.643 6.017 1.00 0.12 C ATOM 684 O4' DG A 22 3.532 7.524 5.543 1.00 0.15 O ATOM 685 C3' DG A 22 5.721 8.134 6.337 1.00 0.13 C ATOM 686 O3' DG A 22 6.026 8.308 7.728 1.00 0.12 O ATOM 687 C2' DG A 22 5.720 6.679 5.966 1.00 0.15 C ATOM 688 C1' DG A 22 4.290 6.300 5.654 1.00 0.14 C ATOM 689 N9 DG A 22 4.217 5.517 4.408 1.00 0.17 N ATOM 690 C8 DG A 22 4.565 5.863 3.146 1.00 0.16 C ATOM 691 N7 DG A 22 4.416 4.975 2.218 1.00 0.16 N ATOM 692 C5 DG A 22 3.906 3.891 2.942 1.00 0.15 C ATOM 693 C6 DG A 22 3.529 2.594 2.498 1.00 0.16 C ATOM 694 O6 DG A 22 3.571 2.134 1.360 1.00 0.21 O ATOM 695 N1 DG A 22 3.066 1.810 3.550 1.00 0.16 N ATOM 696 C2 DG A 22 2.975 2.226 4.867 1.00 0.17 C ATOM 697 N2 DG A 22 2.499 1.342 5.740 1.00 0.22 N ATOM 698 N3 DG A 22 3.328 3.442 5.288 1.00 0.18 N ATOM 699 C4 DG A 22 3.782 4.220 4.283 1.00 0.15 C ATOM 0 H5' DG A 22 3.348 10.089 4.763 1.00 0.11 H new ATOM 0 H5'' DG A 22 4.909 10.602 5.373 1.00 0.11 H new ATOM 0 H4' DG A 22 3.864 9.067 6.914 1.00 0.12 H new ATOM 0 H3' DG A 22 6.481 8.687 5.786 1.00 0.13 H new ATOM 0 H2' DG A 22 6.362 6.501 5.104 1.00 0.15 H new ATOM 0 H2'' DG A 22 6.109 6.073 6.784 1.00 0.15 H new ATOM 0 H1' DG A 22 3.879 5.673 6.446 1.00 0.14 H new ATOM 0 H8 DG A 22 4.953 6.846 2.922 1.00 0.16 H new ATOM 0 H1 DG A 22 2.772 0.857 3.335 1.00 0.16 H new ATOM 0 H21 DG A 22 2.410 1.594 6.724 1.00 0.22 H new ATOM 0 H22 DG A 22 2.223 0.412 5.425 1.00 0.22 H new ATOM 711 P DG A 23 5.074 7.691 8.874 1.00 0.12 P ATOM 712 OP1 DG A 23 3.700 7.585 8.335 1.00 0.16 O ATOM 713 OP2 DG A 23 5.316 8.440 10.127 1.00 0.17 O ATOM 714 O5' DG A 23 5.653 6.199 9.063 1.00 0.16 O ATOM 715 C5' DG A 23 5.351 5.459 10.255 1.00 0.16 C ATOM 716 C4' DG A 23 5.941 4.056 10.244 1.00 0.17 C ATOM 717 O4' DG A 23 5.415 3.270 9.158 1.00 0.22 O ATOM 718 C3' DG A 23 7.454 4.085 10.082 1.00 0.13 C ATOM 719 O3' DG A 23 8.117 3.923 11.340 1.00 0.15 O ATOM 720 C2' DG A 23 7.774 2.958 9.144 1.00 0.23 C ATOM 721 C1' DG A 23 6.450 2.385 8.685 1.00 0.19 C ATOM 722 N9 DG A 23 6.405 2.239 7.216 1.00 0.17 N ATOM 723 C8 DG A 23 6.700 3.136 6.239 1.00 0.18 C ATOM 724 N7 DG A 23 6.590 2.744 5.015 1.00 0.20 N ATOM 725 C5 DG A 23 6.168 1.422 5.175 1.00 0.18 C ATOM 726 C6 DG A 23 5.869 0.439 4.194 1.00 0.20 C ATOM 727 O6 DG A 23 5.926 0.547 2.969 1.00 0.23 O ATOM 728 N1 DG A 23 5.479 -0.763 4.779 1.00 0.22 N ATOM 729 C2 DG A 23 5.390 -0.992 6.139 1.00 0.21 C ATOM 730 N2 DG A 23 4.997 -2.211 6.507 1.00 0.26 N ATOM 731 N3 DG A 23 5.672 -0.072 7.065 1.00 0.17 N ATOM 732 C4 DG A 23 6.052 1.105 6.519 1.00 0.16 C ATOM 0 H5' DG A 23 4.269 5.392 10.371 1.00 0.16 H new ATOM 0 H5'' DG A 23 5.732 6.002 11.120 1.00 0.16 H new ATOM 0 H4' DG A 23 5.670 3.612 11.202 1.00 0.17 H new ATOM 0 H3' DG A 23 7.798 5.043 9.691 1.00 0.13 H new ATOM 0 H2' DG A 23 8.357 3.315 8.295 1.00 0.23 H new ATOM 0 H2'' DG A 23 8.373 2.197 9.644 1.00 0.23 H new ATOM 0 HO3' DG A 23 9.087 3.944 11.204 1.00 0.15 H new ATOM 0 H1' DG A 23 6.309 1.384 9.092 1.00 0.19 H new ATOM 0 H8 DG A 23 7.015 4.141 6.479 1.00 0.18 H new ATOM 0 H1 DG A 23 5.241 -1.534 4.155 1.00 0.22 H new ATOM 0 H21 DG A 23 4.912 -2.442 7.497 1.00 0.26 H new ATOM 0 H22 DG A 23 4.782 -2.913 5.799 1.00 0.26 H new TER 745 DG A 23