USER MOD reduce.3.24.130724 H: found=0, std=0, add=235, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 235 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 DC O5' : rot 180:sc=-0.00421 USER MOD Single : A 12 DT C7 :methyl 150:sc= -0.577 (180deg=-0.577) USER MOD Single : A 21 DT C7 :methyl -30:sc= 0 (180deg=-0.000574) USER MOD Single : A 21 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 12.453 9.359 -0.214 1.00 1.64 O ATOM 2 C5' DC A 1 11.167 9.383 -0.813 1.00 1.50 C ATOM 3 C4' DC A 1 10.363 8.188 -0.359 1.00 1.07 C ATOM 4 O4' DC A 1 9.133 8.123 -1.117 1.00 1.01 O ATOM 5 C3' DC A 1 11.062 6.828 -0.569 1.00 0.71 C ATOM 6 O3' DC A 1 11.122 6.108 0.668 1.00 0.49 O ATOM 7 C2' DC A 1 10.177 6.096 -1.576 1.00 0.63 C ATOM 8 C1' DC A 1 8.831 6.775 -1.392 1.00 0.71 C ATOM 9 N1 DC A 1 7.925 6.724 -2.560 1.00 0.71 N ATOM 10 C2 DC A 1 6.549 6.510 -2.337 1.00 0.77 C ATOM 11 O2 DC A 1 6.143 6.372 -1.171 1.00 0.81 O ATOM 12 N3 DC A 1 5.698 6.465 -3.401 1.00 0.79 N ATOM 13 C4 DC A 1 6.172 6.624 -4.647 1.00 0.77 C ATOM 14 N4 DC A 1 5.303 6.589 -5.659 1.00 0.82 N ATOM 15 C5 DC A 1 7.565 6.840 -4.904 1.00 0.72 C ATOM 16 C6 DC A 1 8.397 6.885 -3.844 1.00 0.69 C ATOM 0 H5' DC A 1 11.262 9.376 -1.899 1.00 1.50 H new ATOM 0 H5'' DC A 1 10.649 10.304 -0.544 1.00 1.50 H new ATOM 0 H4' DC A 1 10.213 8.338 0.710 1.00 1.07 H new ATOM 0 H3' DC A 1 12.088 6.932 -0.922 1.00 0.71 H new ATOM 0 H2' DC A 1 10.549 6.203 -2.595 1.00 0.63 H new ATOM 0 H2'' DC A 1 10.124 5.028 -1.367 1.00 0.63 H new ATOM 0 HO5' DC A 1 12.969 10.136 -0.515 1.00 1.64 H new ATOM 0 H1' DC A 1 8.293 6.251 -0.603 1.00 0.71 H new ATOM 0 H41 DC A 1 5.631 6.707 -6.618 1.00 0.82 H new ATOM 0 H42 DC A 1 4.310 6.445 -5.474 1.00 0.82 H new ATOM 0 H5 DC A 1 7.935 6.962 -5.911 1.00 0.72 H new ATOM 0 H6 DC A 1 9.452 7.050 -4.004 1.00 0.69 H new ATOM 29 P DG A 2 12.339 5.098 0.935 1.00 0.43 P ATOM 30 OP1 DG A 2 13.545 5.880 1.309 1.00 0.56 O ATOM 31 OP2 DG A 2 12.453 4.170 -0.219 1.00 0.67 O ATOM 32 O5' DG A 2 11.836 4.277 2.210 1.00 0.51 O ATOM 33 C5' DG A 2 11.808 4.865 3.509 1.00 0.50 C ATOM 34 C4' DG A 2 10.600 4.399 4.298 1.00 0.49 C ATOM 35 O4' DG A 2 9.393 4.635 3.520 1.00 0.48 O ATOM 36 C3' DG A 2 10.582 2.903 4.646 1.00 0.50 C ATOM 37 O3' DG A 2 9.995 2.716 5.940 1.00 0.57 O ATOM 38 C2' DG A 2 9.706 2.315 3.551 1.00 0.48 C ATOM 39 C1' DG A 2 8.687 3.417 3.337 1.00 0.45 C ATOM 40 N9 DG A 2 8.081 3.427 2.001 1.00 0.43 N ATOM 41 C8 DG A 2 8.735 3.399 0.793 1.00 0.47 C ATOM 42 N7 DG A 2 7.925 3.408 -0.230 1.00 0.49 N ATOM 43 C5 DG A 2 6.658 3.442 0.333 1.00 0.43 C ATOM 44 C6 DG A 2 5.373 3.462 -0.285 1.00 0.43 C ATOM 45 O6 DG A 2 5.110 3.452 -1.493 1.00 0.48 O ATOM 46 N1 DG A 2 4.340 3.494 0.662 1.00 0.39 N ATOM 47 C2 DG A 2 4.533 3.505 2.034 1.00 0.40 C ATOM 48 N2 DG A 2 3.434 3.535 2.803 1.00 0.45 N ATOM 49 N3 DG A 2 5.730 3.486 2.614 1.00 0.41 N ATOM 50 C4 DG A 2 6.740 3.455 1.714 1.00 0.41 C ATOM 0 H5' DG A 2 11.789 5.951 3.419 1.00 0.50 H new ATOM 0 H5'' DG A 2 12.719 4.606 4.048 1.00 0.50 H new ATOM 0 H4' DG A 2 10.650 4.965 5.228 1.00 0.49 H new ATOM 0 H3' DG A 2 11.568 2.441 4.690 1.00 0.50 H new ATOM 0 H2' DG A 2 10.273 2.102 2.645 1.00 0.48 H new ATOM 0 H2'' DG A 2 9.238 1.381 3.861 1.00 0.48 H new ATOM 0 H1' DG A 2 7.863 3.267 4.035 1.00 0.45 H new ATOM 0 H8 DG A 2 9.811 3.372 0.700 1.00 0.47 H new ATOM 0 H1 DG A 2 3.380 3.510 0.317 1.00 0.39 H new ATOM 0 H21 DG A 2 3.523 3.544 3.819 1.00 0.45 H new ATOM 0 H22 DG A 2 2.510 3.549 2.371 1.00 0.45 H new ATOM 62 P DG A 3 9.806 1.239 6.534 1.00 0.66 P ATOM 63 OP1 DG A 3 10.052 1.273 7.999 1.00 0.80 O ATOM 64 OP2 DG A 3 10.607 0.284 5.727 1.00 0.76 O ATOM 65 O5' DG A 3 8.254 0.968 6.278 1.00 0.58 O ATOM 66 C5' DG A 3 7.257 1.785 6.886 1.00 0.50 C ATOM 67 C4' DG A 3 5.880 1.179 6.727 1.00 0.42 C ATOM 68 O4' DG A 3 5.411 1.395 5.371 1.00 0.44 O ATOM 69 C3' DG A 3 5.806 -0.341 6.963 1.00 0.42 C ATOM 70 O3' DG A 3 4.715 -0.640 7.839 1.00 0.56 O ATOM 71 C2' DG A 3 5.560 -0.916 5.570 1.00 0.37 C ATOM 72 C1' DG A 3 4.816 0.210 4.886 1.00 0.38 C ATOM 73 N9 DG A 3 4.908 0.209 3.417 1.00 0.37 N ATOM 74 C8 DG A 3 6.052 0.199 2.654 1.00 0.39 C ATOM 75 N7 DG A 3 5.812 0.199 1.369 1.00 0.37 N ATOM 76 C5 DG A 3 4.430 0.210 1.275 1.00 0.35 C ATOM 77 C6 DG A 3 3.587 0.216 0.125 1.00 0.35 C ATOM 78 O6 DG A 3 3.924 0.210 -1.062 1.00 0.35 O ATOM 79 N1 DG A 3 2.230 0.228 0.472 1.00 0.39 N ATOM 80 C2 DG A 3 1.752 0.232 1.771 1.00 0.41 C ATOM 81 N2 DG A 3 0.419 0.242 1.923 1.00 0.48 N ATOM 82 N3 DG A 3 2.535 0.227 2.850 1.00 0.38 N ATOM 83 C4 DG A 3 3.853 0.216 2.532 1.00 0.35 C ATOM 0 H5' DG A 3 7.274 2.778 6.437 1.00 0.50 H new ATOM 0 H5'' DG A 3 7.482 1.910 7.945 1.00 0.50 H new ATOM 0 H4' DG A 3 5.274 1.671 7.488 1.00 0.42 H new ATOM 0 H3' DG A 3 6.703 -0.752 7.427 1.00 0.42 H new ATOM 0 H2' DG A 3 6.492 -1.158 5.059 1.00 0.37 H new ATOM 0 H2'' DG A 3 4.969 -1.831 5.606 1.00 0.37 H new ATOM 0 H1' DG A 3 3.753 0.107 5.106 1.00 0.38 H new ATOM 0 H8 DG A 3 7.047 0.192 3.074 1.00 0.39 H new ATOM 0 H1 DG A 3 1.547 0.234 -0.285 1.00 0.39 H new ATOM 0 H21 DG A 3 0.012 0.245 2.858 1.00 0.48 H new ATOM 0 H22 DG A 3 -0.188 0.246 1.103 1.00 0.48 H new ATOM 95 P DG A 4 4.540 -2.124 8.421 1.00 0.59 P ATOM 96 OP1 DG A 4 4.272 -2.041 9.880 1.00 0.81 O ATOM 97 OP2 DG A 4 5.685 -2.958 7.981 1.00 0.59 O ATOM 98 O5' DG A 4 3.218 -2.619 7.681 1.00 0.53 O ATOM 99 C5' DG A 4 1.974 -1.955 7.879 1.00 0.58 C ATOM 100 C4' DG A 4 0.899 -2.535 6.986 1.00 0.53 C ATOM 101 O4' DG A 4 1.204 -2.223 5.597 1.00 0.60 O ATOM 102 C3' DG A 4 0.759 -4.071 7.047 1.00 0.45 C ATOM 103 O3' DG A 4 -0.623 -4.443 7.072 1.00 0.47 O ATOM 104 C2' DG A 4 1.397 -4.531 5.746 1.00 0.48 C ATOM 105 C1' DG A 4 1.054 -3.388 4.817 1.00 0.50 C ATOM 106 N9 DG A 4 1.911 -3.276 3.626 1.00 0.49 N ATOM 107 C8 DG A 4 3.287 -3.278 3.580 1.00 0.47 C ATOM 108 N7 DG A 4 3.760 -3.193 2.364 1.00 0.48 N ATOM 109 C5 DG A 4 2.632 -3.128 1.560 1.00 0.49 C ATOM 110 C6 DG A 4 2.513 -3.028 0.141 1.00 0.50 C ATOM 111 O6 DG A 4 3.416 -2.978 -0.697 1.00 0.50 O ATOM 112 N1 DG A 4 1.176 -2.989 -0.269 1.00 0.56 N ATOM 113 C2 DG A 4 0.095 -3.038 0.585 1.00 0.60 C ATOM 114 N2 DG A 4 -1.113 -2.984 0.015 1.00 0.69 N ATOM 115 N3 DG A 4 0.194 -3.132 1.909 1.00 0.57 N ATOM 116 C4 DG A 4 1.482 -3.174 2.326 1.00 0.51 C ATOM 0 H5' DG A 4 2.089 -0.891 7.671 1.00 0.58 H new ATOM 0 H5'' DG A 4 1.672 -2.045 8.922 1.00 0.58 H new ATOM 0 H4' DG A 4 -0.028 -2.091 7.349 1.00 0.53 H new ATOM 0 H3' DG A 4 1.219 -4.508 7.934 1.00 0.45 H new ATOM 0 H2' DG A 4 2.474 -4.670 5.844 1.00 0.48 H new ATOM 0 H2'' DG A 4 0.984 -5.478 5.400 1.00 0.48 H new ATOM 0 H1' DG A 4 0.050 -3.549 4.424 1.00 0.50 H new ATOM 0 H8 DG A 4 3.912 -3.343 4.458 1.00 0.47 H new ATOM 0 H1 DG A 4 0.988 -2.919 -1.269 1.00 0.56 H new ATOM 0 H21 DG A 4 -1.952 -3.016 0.594 1.00 0.69 H new ATOM 0 H22 DG A 4 -1.196 -2.911 -0.999 1.00 0.69 H new ATOM 128 P DC A 5 -1.315 -4.886 8.447 1.00 0.61 P ATOM 129 OP1 DC A 5 -1.075 -3.840 9.475 1.00 0.83 O ATOM 130 OP2 DC A 5 -0.891 -6.272 8.768 1.00 0.80 O ATOM 131 O5' DC A 5 -2.867 -4.894 8.057 1.00 0.83 O ATOM 132 C5' DC A 5 -3.683 -3.722 8.149 1.00 0.89 C ATOM 133 C4' DC A 5 -3.096 -2.568 7.360 1.00 0.99 C ATOM 134 O4' DC A 5 -2.931 -2.960 5.969 1.00 1.14 O ATOM 135 C3' DC A 5 -3.961 -1.293 7.329 1.00 1.05 C ATOM 136 O3' DC A 5 -3.119 -0.145 7.497 1.00 1.15 O ATOM 137 C2' DC A 5 -4.570 -1.322 5.930 1.00 1.15 C ATOM 138 C1' DC A 5 -3.451 -1.950 5.134 1.00 1.25 C ATOM 139 N1 DC A 5 -3.846 -2.555 3.851 1.00 1.39 N ATOM 140 C2 DC A 5 -3.281 -2.042 2.673 1.00 1.60 C ATOM 141 O2 DC A 5 -2.479 -1.096 2.753 1.00 1.66 O ATOM 142 N3 DC A 5 -3.619 -2.590 1.479 1.00 1.75 N ATOM 143 C4 DC A 5 -4.482 -3.609 1.420 1.00 1.75 C ATOM 144 N4 DC A 5 -4.753 -4.122 0.217 1.00 1.96 N ATOM 145 C5 DC A 5 -5.083 -4.155 2.603 1.00 1.58 C ATOM 146 C6 DC A 5 -4.739 -3.602 3.788 1.00 1.39 C ATOM 0 H5' DC A 5 -3.788 -3.432 9.195 1.00 0.89 H new ATOM 0 H5'' DC A 5 -4.684 -3.945 7.778 1.00 0.89 H new ATOM 0 H4' DC A 5 -2.160 -2.340 7.871 1.00 0.99 H new ATOM 0 H3' DC A 5 -4.716 -1.247 8.114 1.00 1.05 H new ATOM 0 H2' DC A 5 -5.484 -1.914 5.892 1.00 1.15 H new ATOM 0 H2'' DC A 5 -4.821 -0.324 5.570 1.00 1.15 H new ATOM 0 H1' DC A 5 -2.745 -1.166 4.861 1.00 1.25 H new ATOM 0 H41 DC A 5 -5.406 -4.900 0.130 1.00 1.96 H new ATOM 0 H42 DC A 5 -4.307 -3.735 -0.615 1.00 1.96 H new ATOM 0 H5 DC A 5 -5.783 -4.976 2.549 1.00 1.58 H new ATOM 0 H6 DC A 5 -5.171 -3.987 4.700 1.00 1.39 H new ATOM 158 P DG A 6 -3.764 1.298 7.760 1.00 1.05 P ATOM 159 OP1 DG A 6 -3.204 1.855 9.018 1.00 1.38 O ATOM 160 OP2 DG A 6 -5.242 1.199 7.652 1.00 0.89 O ATOM 161 O5' DG A 6 -3.206 2.147 6.527 1.00 0.96 O ATOM 162 C5' DG A 6 -3.512 3.531 6.372 1.00 0.98 C ATOM 163 C4' DG A 6 -4.015 3.823 4.974 1.00 0.86 C ATOM 164 O4' DG A 6 -2.906 4.244 4.143 1.00 0.76 O ATOM 165 C3' DG A 6 -4.655 2.624 4.249 1.00 0.79 C ATOM 166 O3' DG A 6 -5.946 2.991 3.755 1.00 0.79 O ATOM 167 C2' DG A 6 -3.697 2.325 3.095 1.00 0.70 C ATOM 168 C1' DG A 6 -3.043 3.671 2.861 1.00 0.65 C ATOM 169 N9 DG A 6 -1.713 3.616 2.225 1.00 0.57 N ATOM 170 C8 DG A 6 -0.487 3.627 2.852 1.00 0.55 C ATOM 171 N7 DG A 6 0.517 3.579 2.020 1.00 0.49 N ATOM 172 C5 DG A 6 -0.073 3.531 0.769 1.00 0.46 C ATOM 173 C6 DG A 6 0.523 3.468 -0.525 1.00 0.41 C ATOM 174 O6 DG A 6 1.724 3.444 -0.806 1.00 0.40 O ATOM 175 N1 DG A 6 -0.437 3.435 -1.540 1.00 0.42 N ATOM 176 C2 DG A 6 -1.804 3.457 -1.329 1.00 0.48 C ATOM 177 N2 DG A 6 -2.579 3.411 -2.420 1.00 0.51 N ATOM 178 N3 DG A 6 -2.370 3.517 -0.122 1.00 0.54 N ATOM 179 C4 DG A 6 -1.452 3.552 0.876 1.00 0.52 C ATOM 0 H5' DG A 6 -2.623 4.128 6.575 1.00 0.98 H new ATOM 0 H5'' DG A 6 -4.266 3.824 7.102 1.00 0.98 H new ATOM 0 H4' DG A 6 -4.781 4.587 5.110 1.00 0.86 H new ATOM 0 H3' DG A 6 -4.798 1.759 4.897 1.00 0.79 H new ATOM 0 H2' DG A 6 -2.968 1.559 3.360 1.00 0.70 H new ATOM 0 H2'' DG A 6 -4.225 1.970 2.210 1.00 0.70 H new ATOM 0 H1' DG A 6 -3.664 4.240 2.169 1.00 0.65 H new ATOM 0 H8 DG A 6 -0.368 3.671 3.925 1.00 0.55 H new ATOM 0 H1 DG A 6 -0.107 3.392 -2.504 1.00 0.42 H new ATOM 0 H21 DG A 6 -3.594 3.424 -2.325 1.00 0.51 H new ATOM 0 H22 DG A 6 -2.154 3.363 -3.346 1.00 0.51 H new ATOM 191 P DG A 7 -7.056 1.861 3.505 1.00 0.80 P ATOM 192 OP1 DG A 7 -8.400 2.492 3.523 1.00 0.89 O ATOM 193 OP2 DG A 7 -6.817 0.732 4.439 1.00 0.89 O ATOM 194 O5' DG A 7 -6.727 1.385 2.020 1.00 0.72 O ATOM 195 C5' DG A 7 -7.190 2.120 0.892 1.00 0.69 C ATOM 196 C4' DG A 7 -7.016 1.322 -0.379 1.00 0.64 C ATOM 197 O4' DG A 7 -5.656 1.474 -0.862 1.00 0.65 O ATOM 198 C3' DG A 7 -7.245 -0.197 -0.232 1.00 0.65 C ATOM 199 O3' DG A 7 -8.116 -0.652 -1.270 1.00 0.65 O ATOM 200 C2' DG A 7 -5.845 -0.791 -0.386 1.00 0.64 C ATOM 201 C1' DG A 7 -5.168 0.218 -1.282 1.00 0.63 C ATOM 202 N9 DG A 7 -3.703 0.228 -1.189 1.00 0.62 N ATOM 203 C8 DG A 7 -2.944 0.229 -0.045 1.00 0.65 C ATOM 204 N7 DG A 7 -1.660 0.232 -0.280 1.00 0.61 N ATOM 205 C5 DG A 7 -1.566 0.232 -1.661 1.00 0.55 C ATOM 206 C6 DG A 7 -0.418 0.232 -2.505 1.00 0.49 C ATOM 207 O6 DG A 7 0.771 0.235 -2.167 1.00 0.48 O ATOM 208 N1 DG A 7 -0.769 0.228 -3.860 1.00 0.46 N ATOM 209 C2 DG A 7 -2.070 0.225 -4.336 1.00 0.47 C ATOM 210 N2 DG A 7 -2.230 0.211 -5.668 1.00 0.45 N ATOM 211 N3 DG A 7 -3.145 0.228 -3.552 1.00 0.52 N ATOM 212 C4 DG A 7 -2.822 0.230 -2.237 1.00 0.56 C ATOM 0 H5' DG A 7 -6.642 3.059 0.815 1.00 0.69 H new ATOM 0 H5'' DG A 7 -8.241 2.375 1.025 1.00 0.69 H new ATOM 0 H4' DG A 7 -7.773 1.717 -1.057 1.00 0.64 H new ATOM 0 H3' DG A 7 -7.711 -0.481 0.712 1.00 0.65 H new ATOM 0 H2' DG A 7 -5.337 -0.890 0.573 1.00 0.64 H new ATOM 0 H2'' DG A 7 -5.871 -1.783 -0.837 1.00 0.64 H new ATOM 0 H1' DG A 7 -5.390 -0.030 -2.320 1.00 0.63 H new ATOM 0 H8 DG A 7 -3.367 0.227 0.949 1.00 0.65 H new ATOM 0 H1 DG A 7 -0.014 0.227 -4.545 1.00 0.46 H new ATOM 0 H21 DG A 7 -3.168 0.208 -6.069 1.00 0.45 H new ATOM 0 H22 DG A 7 -1.414 0.203 -6.280 1.00 0.45 H new ATOM 224 P DG A 8 -8.453 -2.212 -1.412 1.00 0.69 P ATOM 225 OP1 DG A 8 -9.872 -2.357 -1.814 1.00 0.74 O ATOM 226 OP2 DG A 8 -8.010 -2.920 -0.185 1.00 0.73 O ATOM 227 O5' DG A 8 -7.524 -2.646 -2.634 1.00 0.73 O ATOM 228 C5' DG A 8 -7.803 -2.195 -3.954 1.00 0.77 C ATOM 229 C4' DG A 8 -6.840 -2.792 -4.957 1.00 0.80 C ATOM 230 O4' DG A 8 -5.554 -2.158 -4.863 1.00 0.85 O ATOM 231 C3' DG A 8 -6.511 -4.258 -4.752 1.00 0.68 C ATOM 232 O3' DG A 8 -7.547 -5.086 -5.293 1.00 0.75 O ATOM 233 C2' DG A 8 -5.217 -4.406 -5.549 1.00 0.77 C ATOM 234 C1' DG A 8 -4.574 -3.013 -5.448 1.00 0.81 C ATOM 235 N9 DG A 8 -3.350 -2.967 -4.626 1.00 0.72 N ATOM 236 C8 DG A 8 -3.258 -2.906 -3.250 1.00 0.72 C ATOM 237 N7 DG A 8 -2.029 -2.898 -2.821 1.00 0.65 N ATOM 238 C5 DG A 8 -1.256 -2.952 -3.969 1.00 0.59 C ATOM 239 C6 DG A 8 0.162 -2.968 -4.123 1.00 0.52 C ATOM 240 O6 DG A 8 1.020 -2.938 -3.238 1.00 0.49 O ATOM 241 N1 DG A 8 0.542 -3.028 -5.468 1.00 0.51 N ATOM 242 C2 DG A 8 -0.339 -3.063 -6.532 1.00 0.56 C ATOM 243 N2 DG A 8 0.203 -3.106 -7.762 1.00 0.56 N ATOM 244 N3 DG A 8 -1.668 -3.049 -6.397 1.00 0.63 N ATOM 245 C4 DG A 8 -2.055 -2.994 -5.095 1.00 0.63 C ATOM 0 H5' DG A 8 -7.740 -1.107 -3.989 1.00 0.77 H new ATOM 0 H5'' DG A 8 -8.824 -2.464 -4.224 1.00 0.77 H new ATOM 0 H4' DG A 8 -7.361 -2.648 -5.903 1.00 0.80 H new ATOM 0 H3' DG A 8 -6.417 -4.553 -3.707 1.00 0.68 H new ATOM 0 H2' DG A 8 -4.572 -5.178 -5.128 1.00 0.77 H new ATOM 0 H2'' DG A 8 -5.413 -4.684 -6.585 1.00 0.77 H new ATOM 0 H1' DG A 8 -4.268 -2.708 -6.449 1.00 0.81 H new ATOM 0 H8 DG A 8 -4.117 -2.869 -2.597 1.00 0.72 H new ATOM 0 H1 DG A 8 1.540 -3.047 -5.678 1.00 0.51 H new ATOM 0 H21 DG A 8 -0.400 -3.133 -8.584 1.00 0.56 H new ATOM 0 H22 DG A 8 1.217 -3.111 -7.873 1.00 0.56 H new ATOM 257 P DC A 9 -8.014 -6.397 -4.496 1.00 0.76 P ATOM 258 OP1 DC A 9 -6.825 -7.034 -3.873 1.00 0.77 O ATOM 259 OP2 DC A 9 -8.844 -7.230 -5.401 1.00 1.16 O ATOM 260 O5' DC A 9 -8.945 -5.792 -3.349 1.00 1.01 O ATOM 261 C5' DC A 9 -8.924 -6.301 -2.016 1.00 1.09 C ATOM 262 C4' DC A 9 -10.333 -6.488 -1.497 1.00 0.91 C ATOM 263 O4' DC A 9 -10.272 -6.851 -0.094 1.00 0.90 O ATOM 264 C3' DC A 9 -11.213 -5.233 -1.574 1.00 0.72 C ATOM 265 O3' DC A 9 -12.535 -5.570 -2.009 1.00 0.83 O ATOM 266 C2' DC A 9 -11.240 -4.720 -0.142 1.00 0.68 C ATOM 267 C1' DC A 9 -11.105 -5.996 0.670 1.00 0.78 C ATOM 268 N1 DC A 9 -10.493 -5.812 1.999 1.00 0.84 N ATOM 269 C2 DC A 9 -11.177 -6.286 3.135 1.00 0.95 C ATOM 270 O2 DC A 9 -12.273 -6.852 2.984 1.00 0.98 O ATOM 271 N3 DC A 9 -10.623 -6.116 4.367 1.00 1.06 N ATOM 272 C4 DC A 9 -9.436 -5.500 4.491 1.00 1.04 C ATOM 273 N4 DC A 9 -8.932 -5.353 5.718 1.00 1.17 N ATOM 274 C5 DC A 9 -8.716 -5.007 3.353 1.00 0.93 C ATOM 275 C6 DC A 9 -9.276 -5.184 2.138 1.00 0.85 C ATOM 0 H5' DC A 9 -8.379 -5.615 -1.367 1.00 1.09 H new ATOM 0 H5'' DC A 9 -8.392 -7.252 -1.992 1.00 1.09 H new ATOM 0 H4' DC A 9 -10.776 -7.254 -2.133 1.00 0.91 H new ATOM 0 H3' DC A 9 -10.835 -4.496 -2.282 1.00 0.72 H new ATOM 0 H2' DC A 9 -10.423 -4.026 0.055 1.00 0.68 H new ATOM 0 H2'' DC A 9 -12.167 -4.193 0.082 1.00 0.68 H new ATOM 0 H1' DC A 9 -12.103 -6.391 0.859 1.00 0.78 H new ATOM 0 H41 DC A 9 -8.033 -4.890 5.848 1.00 1.17 H new ATOM 0 H42 DC A 9 -9.446 -5.704 6.526 1.00 1.17 H new ATOM 0 H5 DC A 9 -7.762 -4.513 3.464 1.00 0.93 H new ATOM 0 H6 DC A 9 -8.760 -4.827 1.259 1.00 0.85 H new ATOM 287 P DG A 10 -12.951 -5.326 -3.541 1.00 1.18 P ATOM 288 OP1 DG A 10 -14.433 -5.281 -3.639 1.00 1.46 O ATOM 289 OP2 DG A 10 -12.238 -6.314 -4.389 1.00 1.89 O ATOM 290 O5' DG A 10 -12.365 -3.868 -3.840 1.00 1.09 O ATOM 291 C5' DG A 10 -12.930 -2.693 -3.260 1.00 1.05 C ATOM 292 C4' DG A 10 -12.994 -1.572 -4.273 1.00 1.12 C ATOM 293 O4' DG A 10 -13.191 -0.312 -3.574 1.00 1.17 O ATOM 294 C3' DG A 10 -11.721 -1.384 -5.112 1.00 1.09 C ATOM 295 O3' DG A 10 -12.065 -0.966 -6.439 1.00 1.25 O ATOM 296 C2' DG A 10 -10.992 -0.278 -4.366 1.00 1.09 C ATOM 297 C1' DG A 10 -12.141 0.587 -3.891 1.00 1.14 C ATOM 298 N9 DG A 10 -11.849 1.403 -2.702 1.00 1.15 N ATOM 299 C8 DG A 10 -11.072 1.053 -1.621 1.00 1.16 C ATOM 300 N7 DG A 10 -10.993 1.993 -0.718 1.00 1.21 N ATOM 301 C5 DG A 10 -11.764 3.029 -1.228 1.00 1.27 C ATOM 302 C6 DG A 10 -12.056 4.321 -0.690 1.00 1.48 C ATOM 303 O6 DG A 10 -11.675 4.815 0.378 1.00 1.51 O ATOM 304 N1 DG A 10 -12.884 5.063 -1.540 1.00 1.78 N ATOM 305 C2 DG A 10 -13.369 4.616 -2.753 1.00 1.85 C ATOM 306 N2 DG A 10 -14.150 5.472 -3.428 1.00 2.27 N ATOM 307 N3 DG A 10 -13.104 3.415 -3.265 1.00 1.59 N ATOM 308 C4 DG A 10 -12.300 2.677 -2.455 1.00 1.30 C ATOM 0 H5' DG A 10 -12.332 -2.381 -2.403 1.00 1.05 H new ATOM 0 H5'' DG A 10 -13.931 -2.911 -2.888 1.00 1.05 H new ATOM 0 H4' DG A 10 -13.809 -1.846 -4.943 1.00 1.12 H new ATOM 0 H3' DG A 10 -11.126 -2.290 -5.224 1.00 1.09 H new ATOM 0 H2' DG A 10 -10.402 -0.666 -3.536 1.00 1.09 H new ATOM 0 H2'' DG A 10 -10.309 0.270 -5.014 1.00 1.09 H new ATOM 0 H1' DG A 10 -12.379 1.301 -4.679 1.00 1.14 H new ATOM 0 H8 DG A 10 -10.578 0.097 -1.529 1.00 1.16 H new ATOM 0 H1 DG A 10 -13.148 6.002 -1.242 1.00 1.78 H new ATOM 0 H21 DG A 10 -14.540 5.203 -4.331 1.00 2.27 H new ATOM 0 H22 DG A 10 -14.354 6.392 -3.038 1.00 2.27 H new ATOM 320 P DC A 11 -10.978 -1.059 -7.615 1.00 1.15 P ATOM 321 OP1 DC A 11 -11.442 -2.045 -8.625 1.00 1.67 O ATOM 322 OP2 DC A 11 -9.634 -1.267 -7.019 1.00 1.08 O ATOM 323 O5' DC A 11 -11.042 0.402 -8.254 1.00 1.21 O ATOM 324 C5' DC A 11 -10.937 1.564 -7.439 1.00 1.07 C ATOM 325 C4' DC A 11 -11.438 2.795 -8.162 1.00 1.09 C ATOM 326 O4' DC A 11 -12.811 2.579 -8.583 1.00 1.31 O ATOM 327 C3' DC A 11 -11.476 4.057 -7.301 1.00 0.94 C ATOM 328 O3' DC A 11 -11.291 5.224 -8.111 1.00 0.91 O ATOM 329 C2' DC A 11 -12.876 4.012 -6.716 1.00 1.12 C ATOM 330 C1' DC A 11 -13.693 3.433 -7.862 1.00 1.32 C ATOM 331 N1 DC A 11 -14.865 2.644 -7.438 1.00 1.55 N ATOM 332 C2 DC A 11 -16.149 3.075 -7.819 1.00 1.78 C ATOM 333 O2 DC A 11 -16.259 4.107 -8.504 1.00 1.79 O ATOM 334 N3 DC A 11 -17.238 2.355 -7.430 1.00 2.01 N ATOM 335 C4 DC A 11 -17.081 1.247 -6.690 1.00 2.02 C ATOM 336 N4 DC A 11 -18.175 0.574 -6.331 1.00 2.30 N ATOM 337 C5 DC A 11 -15.786 0.783 -6.288 1.00 1.81 C ATOM 338 C6 DC A 11 -14.716 1.504 -6.680 1.00 1.59 C ATOM 0 H5' DC A 11 -9.898 1.711 -7.145 1.00 1.07 H new ATOM 0 H5'' DC A 11 -11.510 1.420 -6.523 1.00 1.07 H new ATOM 0 H4' DC A 11 -10.738 2.944 -8.984 1.00 1.09 H new ATOM 0 H3' DC A 11 -10.693 4.099 -6.544 1.00 0.94 H new ATOM 0 H2' DC A 11 -12.924 3.385 -5.826 1.00 1.12 H new ATOM 0 H2'' DC A 11 -13.227 5.003 -6.427 1.00 1.12 H new ATOM 0 H1' DC A 11 -14.090 4.261 -8.449 1.00 1.32 H new ATOM 0 H41 DC A 11 -18.091 -0.273 -5.768 1.00 2.30 H new ATOM 0 H42 DC A 11 -19.095 0.906 -6.619 1.00 2.30 H new ATOM 0 H5 DC A 11 -15.671 -0.111 -5.693 1.00 1.81 H new ATOM 0 H6 DC A 11 -13.725 1.182 -6.395 1.00 1.59 H new ATOM 350 P DT A 12 -10.930 6.629 -7.420 1.00 0.75 P ATOM 351 OP1 DT A 12 -12.186 7.291 -6.984 1.00 0.98 O ATOM 352 OP2 DT A 12 -10.038 7.388 -8.332 1.00 0.67 O ATOM 353 O5' DT A 12 -10.096 6.194 -6.128 1.00 0.70 O ATOM 354 C5' DT A 12 -10.661 6.257 -4.818 1.00 0.81 C ATOM 355 C4' DT A 12 -9.886 5.387 -3.850 1.00 0.83 C ATOM 356 O4' DT A 12 -9.798 4.049 -4.369 1.00 0.84 O ATOM 357 C3' DT A 12 -8.439 5.798 -3.631 1.00 0.76 C ATOM 358 O3' DT A 12 -8.341 6.756 -2.563 1.00 0.99 O ATOM 359 C2' DT A 12 -7.763 4.488 -3.227 1.00 1.04 C ATOM 360 C1' DT A 12 -8.645 3.399 -3.848 1.00 0.88 C ATOM 361 N1 DT A 12 -8.003 2.629 -4.935 1.00 0.93 N ATOM 362 C2 DT A 12 -7.420 1.415 -4.607 1.00 1.19 C ATOM 363 O2 DT A 12 -7.415 0.970 -3.475 1.00 1.43 O ATOM 364 N3 DT A 12 -6.840 0.740 -5.658 1.00 1.24 N ATOM 365 C4 DT A 12 -6.785 1.151 -6.981 1.00 1.05 C ATOM 366 O4 DT A 12 -6.230 0.443 -7.816 1.00 1.15 O ATOM 367 C5 DT A 12 -7.414 2.433 -7.261 1.00 0.84 C ATOM 368 C7 DT A 12 -7.408 2.947 -8.667 1.00 0.82 C ATOM 369 C6 DT A 12 -7.987 3.107 -6.240 1.00 0.81 C ATOM 0 H5' DT A 12 -11.701 5.933 -4.851 1.00 0.81 H new ATOM 0 H5'' DT A 12 -10.659 7.289 -4.467 1.00 0.81 H new ATOM 0 H4' DT A 12 -10.435 5.481 -2.913 1.00 0.83 H new ATOM 0 H3' DT A 12 -7.991 6.266 -4.507 1.00 0.76 H new ATOM 0 H2' DT A 12 -6.741 4.435 -3.603 1.00 1.04 H new ATOM 0 H2'' DT A 12 -7.709 4.386 -2.143 1.00 1.04 H new ATOM 0 H1' DT A 12 -8.868 2.673 -3.066 1.00 0.88 H new ATOM 0 H3 DT A 12 -6.405 -0.157 -5.440 1.00 1.24 H new ATOM 0 H71 DT A 12 -8.294 3.560 -8.834 1.00 0.82 H new ATOM 0 H72 DT A 12 -6.514 3.549 -8.831 1.00 0.82 H new ATOM 0 H73 DT A 12 -7.412 2.107 -9.362 1.00 0.82 H new ATOM 0 H6 DT A 12 -8.453 4.059 -6.447 1.00 0.81 H new ATOM 382 P DA A 13 -7.852 8.263 -2.853 1.00 1.12 P ATOM 383 OP1 DA A 13 -8.432 9.160 -1.820 1.00 1.62 O ATOM 384 OP2 DA A 13 -8.129 8.592 -4.274 1.00 1.10 O ATOM 385 O5' DA A 13 -6.268 8.179 -2.628 1.00 0.99 O ATOM 386 C5' DA A 13 -5.480 7.219 -3.320 1.00 0.78 C ATOM 387 C4' DA A 13 -5.054 7.737 -4.673 1.00 0.77 C ATOM 388 O4' DA A 13 -3.693 8.236 -4.577 1.00 0.84 O ATOM 389 C3' DA A 13 -4.997 6.666 -5.757 1.00 0.64 C ATOM 390 O3' DA A 13 -5.158 7.258 -7.051 1.00 0.68 O ATOM 391 C2' DA A 13 -3.597 6.112 -5.592 1.00 0.71 C ATOM 392 C1' DA A 13 -2.797 7.363 -5.265 1.00 0.81 C ATOM 393 N9 DA A 13 -1.619 7.130 -4.410 1.00 0.83 N ATOM 394 C8 DA A 13 -1.574 7.016 -3.040 1.00 0.88 C ATOM 395 N7 DA A 13 -0.368 6.817 -2.563 1.00 0.89 N ATOM 396 C5 DA A 13 0.441 6.797 -3.692 1.00 0.84 C ATOM 397 C6 DA A 13 1.839 6.627 -3.868 1.00 0.83 C ATOM 398 N6 DA A 13 2.704 6.475 -2.859 1.00 0.87 N ATOM 399 N1 DA A 13 2.326 6.658 -5.135 1.00 0.79 N ATOM 400 C2 DA A 13 1.463 6.849 -6.151 1.00 0.77 C ATOM 401 N3 DA A 13 0.134 7.022 -6.113 1.00 0.77 N ATOM 402 C4 DA A 13 -0.320 6.986 -4.839 1.00 0.80 C ATOM 0 H5' DA A 13 -6.049 6.298 -3.443 1.00 0.78 H new ATOM 0 H5'' DA A 13 -4.599 6.973 -2.728 1.00 0.78 H new ATOM 0 H4' DA A 13 -5.796 8.489 -4.942 1.00 0.77 H new ATOM 0 H3' DA A 13 -5.778 5.910 -5.673 1.00 0.64 H new ATOM 0 H2' DA A 13 -3.543 5.373 -4.793 1.00 0.71 H new ATOM 0 H2'' DA A 13 -3.241 5.626 -6.500 1.00 0.71 H new ATOM 0 H1' DA A 13 -2.406 7.770 -6.198 1.00 0.81 H new ATOM 0 H8 DA A 13 -2.451 7.084 -2.414 1.00 0.88 H new ATOM 0 H61 DA A 13 3.698 6.357 -3.053 1.00 0.87 H new ATOM 0 H62 DA A 13 2.369 6.477 -1.896 1.00 0.87 H new ATOM 0 H2 DA A 13 1.904 6.865 -7.137 1.00 0.77 H new ATOM 414 P DG A 14 -6.074 6.537 -8.152 1.00 0.58 P ATOM 415 OP1 DG A 14 -6.390 7.511 -9.227 1.00 0.72 O ATOM 416 OP2 DG A 14 -7.215 5.881 -7.469 1.00 0.57 O ATOM 417 O5' DG A 14 -5.096 5.417 -8.738 1.00 0.66 O ATOM 418 C5' DG A 14 -4.427 5.610 -9.981 1.00 0.65 C ATOM 419 C4' DG A 14 -3.395 4.530 -10.236 1.00 0.55 C ATOM 420 O4' DG A 14 -2.383 4.556 -9.191 1.00 0.50 O ATOM 421 C3' DG A 14 -3.932 3.079 -10.254 1.00 0.53 C ATOM 422 O3' DG A 14 -3.353 2.377 -11.358 1.00 0.48 O ATOM 423 C2' DG A 14 -3.428 2.511 -8.932 1.00 0.51 C ATOM 424 C1' DG A 14 -2.112 3.232 -8.791 1.00 0.44 C ATOM 425 N9 DG A 14 -1.540 3.251 -7.439 1.00 0.41 N ATOM 426 C8 DG A 14 -2.211 3.219 -6.241 1.00 0.46 C ATOM 427 N7 DG A 14 -1.414 3.244 -5.206 1.00 0.43 N ATOM 428 C5 DG A 14 -0.143 3.290 -5.753 1.00 0.37 C ATOM 429 C6 DG A 14 1.135 3.324 -5.120 1.00 0.34 C ATOM 430 O6 DG A 14 1.385 3.328 -3.911 1.00 0.36 O ATOM 431 N1 DG A 14 2.177 3.357 -6.057 1.00 0.32 N ATOM 432 C2 DG A 14 1.997 3.361 -7.431 1.00 0.31 C ATOM 433 N2 DG A 14 3.101 3.373 -8.189 1.00 0.31 N ATOM 434 N3 DG A 14 0.809 3.334 -8.023 1.00 0.32 N ATOM 435 C4 DG A 14 -0.208 3.298 -7.133 1.00 0.36 C ATOM 0 H5' DG A 14 -3.941 6.586 -9.985 1.00 0.65 H new ATOM 0 H5'' DG A 14 -5.157 5.614 -10.790 1.00 0.65 H new ATOM 0 H4' DG A 14 -3.017 4.766 -11.231 1.00 0.55 H new ATOM 0 H3' DG A 14 -5.014 3.004 -10.361 1.00 0.53 H new ATOM 0 H2' DG A 14 -4.106 2.725 -8.106 1.00 0.51 H new ATOM 0 H2'' DG A 14 -3.303 1.429 -8.969 1.00 0.51 H new ATOM 0 H1' DG A 14 -1.367 2.709 -9.390 1.00 0.44 H new ATOM 0 H8 DG A 14 -3.287 3.177 -6.163 1.00 0.46 H new ATOM 0 H1 DG A 14 3.133 3.380 -5.703 1.00 0.32 H new ATOM 0 H21 DG A 14 3.021 3.376 -9.206 1.00 0.31 H new ATOM 0 H22 DG A 14 4.021 3.379 -7.749 1.00 0.31 H new ATOM 447 P DG A 15 -3.928 0.951 -11.816 1.00 0.55 P ATOM 448 OP1 DG A 15 -4.900 1.156 -12.921 1.00 0.65 O ATOM 449 OP2 DG A 15 -4.394 0.200 -10.624 1.00 0.62 O ATOM 450 O5' DG A 15 -2.621 0.246 -12.401 1.00 0.48 O ATOM 451 C5' DG A 15 -1.861 0.857 -13.443 1.00 0.44 C ATOM 452 C4' DG A 15 -0.368 0.727 -13.205 1.00 0.36 C ATOM 453 O4' DG A 15 -0.046 1.100 -11.835 1.00 0.35 O ATOM 454 C3' DG A 15 0.210 -0.690 -13.400 1.00 0.41 C ATOM 455 O3' DG A 15 1.376 -0.616 -14.229 1.00 0.44 O ATOM 456 C2' DG A 15 0.566 -1.132 -11.981 1.00 0.45 C ATOM 457 C1' DG A 15 0.897 0.185 -11.320 1.00 0.36 C ATOM 458 N9 DG A 15 0.803 0.180 -9.852 1.00 0.37 N ATOM 459 C8 DG A 15 -0.341 0.192 -9.089 1.00 0.43 C ATOM 460 N7 DG A 15 -0.101 0.179 -7.805 1.00 0.44 N ATOM 461 C5 DG A 15 1.280 0.160 -7.711 1.00 0.35 C ATOM 462 C6 DG A 15 2.124 0.141 -6.562 1.00 0.33 C ATOM 463 O6 DG A 15 1.791 0.140 -5.375 1.00 0.38 O ATOM 464 N1 DG A 15 3.479 0.123 -6.909 1.00 0.28 N ATOM 465 C2 DG A 15 3.957 0.122 -8.206 1.00 0.33 C ATOM 466 N2 DG A 15 5.291 0.092 -8.359 1.00 0.39 N ATOM 467 N3 DG A 15 3.174 0.142 -9.285 1.00 0.35 N ATOM 468 C4 DG A 15 1.856 0.160 -8.967 1.00 0.33 C ATOM 0 H5' DG A 15 -2.127 1.912 -13.516 1.00 0.44 H new ATOM 0 H5'' DG A 15 -2.118 0.397 -14.397 1.00 0.44 H new ATOM 0 H4' DG A 15 0.074 1.384 -13.954 1.00 0.36 H new ATOM 0 H3' DG A 15 -0.476 -1.384 -13.886 1.00 0.41 H new ATOM 0 H2' DG A 15 -0.265 -1.638 -11.490 1.00 0.45 H new ATOM 0 H2'' DG A 15 1.411 -1.820 -11.967 1.00 0.45 H new ATOM 0 H1' DG A 15 1.937 0.433 -11.534 1.00 0.36 H new ATOM 0 H8 DG A 15 -1.336 0.210 -9.508 1.00 0.43 H new ATOM 0 H1 DG A 15 4.162 0.110 -6.152 1.00 0.28 H new ATOM 0 H21 DG A 15 5.697 0.090 -9.295 1.00 0.39 H new ATOM 0 H22 DG A 15 5.898 0.071 -7.539 1.00 0.39 H new ATOM 480 P DG A 16 2.216 -1.939 -14.564 1.00 0.59 P ATOM 481 OP1 DG A 16 2.851 -1.783 -15.898 1.00 0.75 O ATOM 482 OP2 DG A 16 1.353 -3.128 -14.350 1.00 0.77 O ATOM 483 O5' DG A 16 3.354 -1.909 -13.445 1.00 0.49 O ATOM 484 C5' DG A 16 4.195 -0.771 -13.272 1.00 0.42 C ATOM 485 C4' DG A 16 5.575 -1.174 -12.806 1.00 0.24 C ATOM 486 O4' DG A 16 5.593 -1.215 -11.358 1.00 0.29 O ATOM 487 C3' DG A 16 6.041 -2.560 -13.259 1.00 0.33 C ATOM 488 O3' DG A 16 7.467 -2.576 -13.407 1.00 0.47 O ATOM 489 C2' DG A 16 5.607 -3.443 -12.099 1.00 0.35 C ATOM 490 C1' DG A 16 5.854 -2.537 -10.905 1.00 0.29 C ATOM 491 N9 DG A 16 5.008 -2.794 -9.727 1.00 0.32 N ATOM 492 C8 DG A 16 3.635 -2.897 -9.685 1.00 0.35 C ATOM 493 N7 DG A 16 3.168 -3.076 -8.475 1.00 0.40 N ATOM 494 C5 DG A 16 4.300 -3.098 -7.672 1.00 0.39 C ATOM 495 C6 DG A 16 4.426 -3.255 -6.258 1.00 0.45 C ATOM 496 O6 DG A 16 3.523 -3.396 -5.426 1.00 0.52 O ATOM 497 N1 DG A 16 5.767 -3.220 -5.846 1.00 0.45 N ATOM 498 C2 DG A 16 6.844 -3.055 -6.699 1.00 0.41 C ATOM 499 N2 DG A 16 8.067 -3.055 -6.145 1.00 0.45 N ATOM 500 N3 DG A 16 6.732 -2.904 -8.016 1.00 0.36 N ATOM 501 C4 DG A 16 5.442 -2.934 -8.432 1.00 0.35 C ATOM 0 H5' DG A 16 3.747 -0.092 -12.546 1.00 0.42 H new ATOM 0 H5'' DG A 16 4.271 -0.226 -14.213 1.00 0.42 H new ATOM 0 H4' DG A 16 6.239 -0.431 -13.246 1.00 0.24 H new ATOM 0 H3' DG A 16 5.634 -2.875 -14.220 1.00 0.33 H new ATOM 0 H2' DG A 16 4.560 -3.737 -12.179 1.00 0.35 H new ATOM 0 H2'' DG A 16 6.192 -4.361 -12.043 1.00 0.35 H new ATOM 0 H1' DG A 16 6.875 -2.713 -10.567 1.00 0.29 H new ATOM 0 H8 DG A 16 3.007 -2.836 -10.562 1.00 0.35 H new ATOM 0 H1 DG A 16 5.961 -3.323 -4.850 1.00 0.45 H new ATOM 0 H21 DG A 16 8.893 -2.937 -6.732 1.00 0.45 H new ATOM 0 H22 DG A 16 8.170 -3.173 -5.137 1.00 0.45 H new ATOM 513 P DA A 17 8.133 -2.030 -14.764 1.00 0.60 P ATOM 514 OP1 DA A 17 7.419 -2.622 -15.925 1.00 0.66 O ATOM 515 OP2 DA A 17 9.602 -2.237 -14.687 1.00 0.80 O ATOM 516 O5' DA A 17 7.821 -0.463 -14.711 1.00 0.73 O ATOM 517 C5' DA A 17 8.780 0.479 -14.228 1.00 0.75 C ATOM 518 C4' DA A 17 8.346 1.904 -14.520 1.00 0.81 C ATOM 519 O4' DA A 17 8.208 2.081 -15.956 1.00 1.09 O ATOM 520 C3' DA A 17 6.991 2.309 -13.928 1.00 0.73 C ATOM 521 O3' DA A 17 6.986 3.703 -13.587 1.00 0.86 O ATOM 522 C2' DA A 17 6.031 2.039 -15.075 1.00 0.90 C ATOM 523 C1' DA A 17 6.866 2.417 -16.286 1.00 1.17 C ATOM 524 N9 DA A 17 6.500 1.710 -17.524 1.00 1.45 N ATOM 525 C8 DA A 17 6.817 0.422 -17.886 1.00 1.56 C ATOM 526 N7 DA A 17 6.344 0.067 -19.055 1.00 1.86 N ATOM 527 C5 DA A 17 5.667 1.195 -19.499 1.00 2.00 C ATOM 528 C6 DA A 17 4.938 1.470 -20.684 1.00 2.40 C ATOM 529 N6 DA A 17 4.768 0.587 -21.672 1.00 2.65 N ATOM 530 N1 DA A 17 4.384 2.703 -20.815 1.00 2.59 N ATOM 531 C2 DA A 17 4.555 3.594 -19.820 1.00 2.40 C ATOM 532 N3 DA A 17 5.217 3.453 -18.662 1.00 2.00 N ATOM 533 C4 DA A 17 5.756 2.217 -18.562 1.00 1.79 C ATOM 0 H5' DA A 17 9.747 0.288 -14.693 1.00 0.75 H new ATOM 0 H5'' DA A 17 8.912 0.349 -13.154 1.00 0.75 H new ATOM 0 H4' DA A 17 9.119 2.521 -14.063 1.00 0.81 H new ATOM 0 H3' DA A 17 6.739 1.773 -13.013 1.00 0.73 H new ATOM 0 H2' DA A 17 5.717 0.996 -15.106 1.00 0.90 H new ATOM 0 H2'' DA A 17 5.126 2.642 -15.000 1.00 0.90 H new ATOM 0 H1' DA A 17 6.707 3.475 -16.492 1.00 1.17 H new ATOM 0 H8 DA A 17 7.403 -0.237 -17.263 1.00 1.56 H new ATOM 0 H61 DA A 17 4.232 0.846 -22.501 1.00 2.65 H new ATOM 0 H62 DA A 17 5.174 -0.346 -21.598 1.00 2.65 H new ATOM 0 H2 DA A 17 4.094 4.558 -19.976 1.00 2.40 H new ATOM 545 P DG A 18 6.518 4.162 -12.122 1.00 0.79 P ATOM 546 OP1 DG A 18 5.446 3.246 -11.651 1.00 0.84 O ATOM 547 OP2 DG A 18 6.221 5.616 -12.140 1.00 1.13 O ATOM 548 O5' DG A 18 7.832 3.909 -11.256 1.00 0.55 O ATOM 549 C5' DG A 18 8.998 4.716 -11.416 1.00 0.56 C ATOM 550 C4' DG A 18 10.051 4.344 -10.387 1.00 0.53 C ATOM 551 O4' DG A 18 9.496 4.523 -9.055 1.00 0.53 O ATOM 552 C3' DG A 18 10.548 2.895 -10.446 1.00 0.51 C ATOM 553 O3' DG A 18 11.945 2.842 -10.095 1.00 0.63 O ATOM 554 C2' DG A 18 9.700 2.186 -9.387 1.00 0.47 C ATOM 555 C1' DG A 18 9.450 3.286 -8.351 1.00 0.49 C ATOM 556 N9 DG A 18 8.141 3.199 -7.655 1.00 0.47 N ATOM 557 C8 DG A 18 6.889 3.099 -8.233 1.00 0.47 C ATOM 558 N7 DG A 18 5.919 3.103 -7.368 1.00 0.46 N ATOM 559 C5 DG A 18 6.540 3.202 -6.144 1.00 0.44 C ATOM 560 C6 DG A 18 5.972 3.246 -4.840 1.00 0.43 C ATOM 561 O6 DG A 18 4.774 3.220 -4.536 1.00 0.42 O ATOM 562 N1 DG A 18 6.949 3.339 -3.850 1.00 0.44 N ATOM 563 C2 DG A 18 8.310 3.388 -4.093 1.00 0.46 C ATOM 564 N2 DG A 18 9.100 3.455 -3.014 1.00 0.49 N ATOM 565 N3 DG A 18 8.856 3.356 -5.314 1.00 0.48 N ATOM 566 C4 DG A 18 7.917 3.260 -6.291 1.00 0.46 C ATOM 0 H5' DG A 18 8.735 5.769 -11.311 1.00 0.56 H new ATOM 0 H5'' DG A 18 9.401 4.587 -12.420 1.00 0.56 H new ATOM 0 H4' DG A 18 10.897 4.994 -10.612 1.00 0.53 H new ATOM 0 H3' DG A 18 10.456 2.443 -11.434 1.00 0.51 H new ATOM 0 H2' DG A 18 8.768 1.806 -9.805 1.00 0.47 H new ATOM 0 H2'' DG A 18 10.225 1.335 -8.953 1.00 0.47 H new ATOM 0 H1' DG A 18 10.208 3.184 -7.575 1.00 0.49 H new ATOM 0 H8 DG A 18 6.732 3.025 -9.299 1.00 0.47 H new ATOM 0 H1 DG A 18 6.639 3.373 -2.879 1.00 0.44 H new ATOM 0 H21 DG A 18 10.113 3.494 -3.125 1.00 0.49 H new ATOM 0 H22 DG A 18 8.689 3.467 -2.081 1.00 0.49 H new ATOM 578 P DG A 19 12.723 1.430 -10.018 1.00 0.71 P ATOM 579 OP1 DG A 19 14.171 1.663 -10.247 1.00 0.90 O ATOM 580 OP2 DG A 19 12.036 0.454 -10.902 1.00 0.75 O ATOM 581 O5' DG A 19 12.503 0.999 -8.496 1.00 0.63 O ATOM 582 C5' DG A 19 13.047 1.769 -7.427 1.00 0.64 C ATOM 583 C4' DG A 19 12.791 1.111 -6.088 1.00 0.63 C ATOM 584 O4' DG A 19 11.397 1.277 -5.716 1.00 0.56 O ATOM 585 C3' DG A 19 13.055 -0.404 -6.037 1.00 0.64 C ATOM 586 O3' DG A 19 13.849 -0.709 -4.876 1.00 0.76 O ATOM 587 C2' DG A 19 11.653 -1.005 -5.912 1.00 0.58 C ATOM 588 C1' DG A 19 10.923 0.075 -5.149 1.00 0.54 C ATOM 589 N9 DG A 19 9.457 0.033 -5.256 1.00 0.45 N ATOM 590 C8 DG A 19 8.705 -0.024 -6.404 1.00 0.43 C ATOM 591 N7 DG A 19 7.424 -0.024 -6.177 1.00 0.37 N ATOM 592 C5 DG A 19 7.313 0.031 -4.802 1.00 0.35 C ATOM 593 C6 DG A 19 6.155 0.055 -3.977 1.00 0.31 C ATOM 594 O6 DG A 19 4.968 0.033 -4.333 1.00 0.30 O ATOM 595 N1 DG A 19 6.487 0.111 -2.616 1.00 0.31 N ATOM 596 C2 DG A 19 7.782 0.140 -2.125 1.00 0.36 C ATOM 597 N2 DG A 19 7.927 0.187 -0.791 1.00 0.37 N ATOM 598 N3 DG A 19 8.868 0.121 -2.895 1.00 0.41 N ATOM 599 C4 DG A 19 8.563 0.066 -4.214 1.00 0.40 C ATOM 0 H5' DG A 19 12.607 2.766 -7.434 1.00 0.64 H new ATOM 0 H5'' DG A 19 14.120 1.893 -7.574 1.00 0.64 H new ATOM 0 H4' DG A 19 13.492 1.604 -5.414 1.00 0.63 H new ATOM 0 H3' DG A 19 13.597 -0.788 -6.901 1.00 0.64 H new ATOM 0 H2' DG A 19 11.201 -1.195 -6.885 1.00 0.58 H new ATOM 0 H2'' DG A 19 11.661 -1.953 -5.374 1.00 0.58 H new ATOM 0 H1' DG A 19 11.116 -0.043 -4.083 1.00 0.54 H new ATOM 0 H8 DG A 19 9.134 -0.065 -7.394 1.00 0.43 H new ATOM 0 H1 DG A 19 5.723 0.132 -1.941 1.00 0.31 H new ATOM 0 H21 DG A 19 8.860 0.210 -0.380 1.00 0.37 H new ATOM 0 H22 DG A 19 7.104 0.200 -0.189 1.00 0.37 H new ATOM 611 P DG A 20 14.476 -2.176 -4.662 1.00 0.84 P ATOM 612 OP1 DG A 20 15.956 -2.065 -4.621 1.00 0.94 O ATOM 613 OP2 DG A 20 13.885 -3.111 -5.654 1.00 0.81 O ATOM 614 O5' DG A 20 13.946 -2.554 -3.208 1.00 1.01 O ATOM 615 C5' DG A 20 14.272 -1.750 -2.078 1.00 1.19 C ATOM 616 C4' DG A 20 13.618 -2.284 -0.821 1.00 1.18 C ATOM 617 O4' DG A 20 12.186 -2.034 -0.880 1.00 1.04 O ATOM 618 C3' DG A 20 13.769 -3.794 -0.606 1.00 1.18 C ATOM 619 O3' DG A 20 13.968 -4.085 0.790 1.00 1.33 O ATOM 620 C2' DG A 20 12.441 -4.343 -1.088 1.00 0.99 C ATOM 621 C1' DG A 20 11.475 -3.242 -0.677 1.00 0.92 C ATOM 622 N9 DG A 20 10.240 -3.205 -1.469 1.00 0.74 N ATOM 623 C8 DG A 20 10.137 -3.221 -2.839 1.00 0.67 C ATOM 624 N7 DG A 20 8.905 -3.213 -3.259 1.00 0.56 N ATOM 625 C5 DG A 20 8.144 -3.189 -2.106 1.00 0.53 C ATOM 626 C6 DG A 20 6.730 -3.171 -1.943 1.00 0.48 C ATOM 627 O6 DG A 20 5.864 -3.178 -2.826 1.00 0.50 O ATOM 628 N1 DG A 20 6.362 -3.147 -0.593 1.00 0.49 N ATOM 629 C2 DG A 20 7.255 -3.144 0.465 1.00 0.58 C ATOM 630 N2 DG A 20 6.722 -3.128 1.697 1.00 0.62 N ATOM 631 N3 DG A 20 8.580 -3.160 0.319 1.00 0.68 N ATOM 632 C4 DG A 20 8.953 -3.182 -0.985 1.00 0.64 C ATOM 0 H5' DG A 20 13.948 -0.724 -2.252 1.00 1.19 H new ATOM 0 H5'' DG A 20 15.354 -1.725 -1.946 1.00 1.19 H new ATOM 0 H4' DG A 20 14.125 -1.769 -0.005 1.00 1.18 H new ATOM 0 H3' DG A 20 14.624 -4.224 -1.128 1.00 1.18 H new ATOM 0 H2' DG A 20 12.435 -4.510 -2.165 1.00 0.99 H new ATOM 0 H2'' DG A 20 12.198 -5.295 -0.617 1.00 0.99 H new ATOM 0 H1' DG A 20 11.156 -3.409 0.352 1.00 0.92 H new ATOM 0 H8 DG A 20 10.991 -3.238 -3.500 1.00 0.67 H new ATOM 0 H1 DG A 20 5.366 -3.131 -0.373 1.00 0.49 H new ATOM 0 H21 DG A 20 7.330 -3.125 2.516 1.00 0.62 H new ATOM 0 H22 DG A 20 5.709 -3.119 1.814 1.00 0.62 H new ATOM 644 P DT A 21 14.425 -5.558 1.259 1.00 1.54 P ATOM 645 OP1 DT A 21 15.114 -5.457 2.571 1.00 1.85 O ATOM 646 OP2 DT A 21 15.162 -6.210 0.147 1.00 1.64 O ATOM 647 O5' DT A 21 13.029 -6.305 1.461 1.00 1.44 O ATOM 648 C5' DT A 21 12.320 -6.234 2.693 1.00 1.45 C ATOM 649 C4' DT A 21 11.038 -7.035 2.627 1.00 1.34 C ATOM 650 O4' DT A 21 10.119 -6.412 1.703 1.00 1.07 O ATOM 651 C3' DT A 21 11.194 -8.454 2.103 1.00 1.50 C ATOM 652 O3' DT A 21 11.563 -9.350 3.154 1.00 1.82 O ATOM 653 C2' DT A 21 9.798 -8.765 1.587 1.00 1.31 C ATOM 654 C1' DT A 21 9.293 -7.401 1.100 1.00 0.98 C ATOM 655 N1 DT A 21 9.338 -7.212 -0.368 1.00 1.02 N ATOM 656 C2 DT A 21 8.247 -6.608 -0.982 1.00 0.96 C ATOM 657 O2 DT A 21 7.260 -6.235 -0.369 1.00 0.87 O ATOM 658 N3 DT A 21 8.358 -6.458 -2.350 1.00 1.22 N ATOM 659 C4 DT A 21 9.426 -6.845 -3.144 1.00 1.46 C ATOM 660 O4 DT A 21 9.387 -6.648 -4.358 1.00 1.74 O ATOM 661 C5 DT A 21 10.534 -7.470 -2.440 1.00 1.49 C ATOM 662 C7 DT A 21 11.726 -7.919 -3.227 1.00 1.85 C ATOM 663 C6 DT A 21 10.444 -7.625 -1.103 1.00 1.31 C ATOM 0 H5' DT A 21 12.092 -5.194 2.926 1.00 1.45 H new ATOM 0 H5'' DT A 21 12.948 -6.611 3.500 1.00 1.45 H new ATOM 0 H4' DT A 21 10.693 -7.065 3.661 1.00 1.34 H new ATOM 0 H3' DT A 21 11.972 -8.558 1.347 1.00 1.50 H new ATOM 0 H2' DT A 21 9.821 -9.498 0.780 1.00 1.31 H new ATOM 0 H2'' DT A 21 9.161 -9.174 2.371 1.00 1.31 H new ATOM 0 HO3' DT A 21 11.656 -10.257 2.794 1.00 1.82 H new ATOM 0 H1' DT A 21 8.242 -7.327 1.379 1.00 0.98 H new ATOM 0 H3 DT A 21 7.572 -6.016 -2.826 1.00 1.22 H new ATOM 0 H71 DT A 21 11.413 -8.199 -4.233 1.00 1.85 H new ATOM 0 H72 DT A 21 12.451 -7.107 -3.285 1.00 1.85 H new ATOM 0 H73 DT A 21 12.183 -8.779 -2.737 1.00 1.85 H new ATOM 0 H6 DT A 21 11.267 -8.090 -0.581 1.00 1.31 H new TER 677 DT A 21