USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 182 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 1:sc= 1.36 USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.0272 (180deg=-0.0272) USER MOD Single : A 8 DT O3' : rot -97:sc= 0.0329 USER MOD Single : B 1 DG O5' : rot -27:sc= 1.35 USER MOD Single : B 8 DT C7 :methyl 150:sc= -0.0237 (180deg=-0.0237) USER MOD Single : B 8 DT O3' : rot -96:sc= 0.0303 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.594 8.864 3.198 1.00 0.00 O ATOM 2 C5' DG A 1 6.942 7.613 2.598 1.00 0.00 C ATOM 3 C4' DG A 1 7.797 6.742 3.495 1.00 0.00 C ATOM 4 O4' DG A 1 8.992 7.456 3.891 1.00 0.00 O ATOM 5 C3' DG A 1 7.224 6.273 4.833 1.00 0.00 C ATOM 6 O3' DG A 1 6.205 5.274 4.750 1.00 0.00 O ATOM 7 C2' DG A 1 8.535 5.732 5.386 1.00 0.00 C ATOM 8 C1' DG A 1 9.439 6.964 5.176 1.00 0.00 C ATOM 9 N9 DG A 1 9.384 8.043 6.187 1.00 0.00 N ATOM 10 C8 DG A 1 10.417 8.460 6.991 1.00 0.00 C ATOM 11 N7 DG A 1 10.098 9.443 7.788 1.00 0.00 N ATOM 12 C5 DG A 1 8.768 9.699 7.502 1.00 0.00 C ATOM 13 C6 DG A 1 7.883 10.662 8.057 1.00 0.00 C ATOM 14 O6 DG A 1 8.121 11.492 8.933 1.00 0.00 O ATOM 15 N1 DG A 1 6.625 10.590 7.490 1.00 0.00 N ATOM 16 C2 DG A 1 6.261 9.703 6.511 1.00 0.00 C ATOM 17 N2 DG A 1 5.002 9.747 6.069 1.00 0.00 N ATOM 18 N3 DG A 1 7.081 8.796 5.984 1.00 0.00 N ATOM 19 C4 DG A 1 8.312 8.847 6.518 1.00 0.00 C ATOM 0 H5' DG A 1 7.476 7.800 1.666 1.00 0.00 H new ATOM 0 H5'' DG A 1 6.030 7.074 2.340 1.00 0.00 H new ATOM 0 H4' DG A 1 7.927 5.868 2.857 1.00 0.00 H new ATOM 0 H3' DG A 1 6.694 7.031 5.410 1.00 0.00 H new ATOM 0 H2' DG A 1 8.459 5.444 6.435 1.00 0.00 H new ATOM 0 H2'' DG A 1 8.889 4.857 4.840 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.999 8.924 4.088 1.00 0.00 H new ATOM 0 H1' DG A 1 10.483 6.661 5.253 1.00 0.00 H new ATOM 0 H8 DG A 1 11.401 8.016 6.966 1.00 0.00 H new ATOM 0 H1 DG A 1 5.917 11.244 7.824 1.00 0.00 H new ATOM 0 H21 DG A 1 4.694 9.102 5.341 1.00 0.00 H new ATOM 0 H22 DG A 1 4.348 10.425 6.459 1.00 0.00 H new ATOM 32 P DA A 2 4.645 5.638 4.547 1.00 0.00 P ATOM 33 OP1 DA A 2 4.509 7.118 4.499 1.00 0.00 O ATOM 34 OP2 DA A 2 3.871 4.877 5.561 1.00 0.00 O ATOM 35 O5' DA A 2 4.250 5.045 3.105 1.00 0.00 O ATOM 36 C5' DA A 2 4.206 3.629 2.884 1.00 0.00 C ATOM 37 C4' DA A 2 5.372 3.206 2.028 1.00 0.00 C ATOM 38 O4' DA A 2 6.578 3.607 2.639 1.00 0.00 O ATOM 39 C3' DA A 2 5.597 1.701 1.850 1.00 0.00 C ATOM 40 O3' DA A 2 4.942 1.084 0.730 1.00 0.00 O ATOM 41 C2' DA A 2 7.110 1.561 1.745 1.00 0.00 C ATOM 42 C1' DA A 2 7.589 2.994 1.835 1.00 0.00 C ATOM 43 N9 DA A 2 8.730 3.215 2.700 1.00 0.00 N ATOM 44 C8 DA A 2 8.862 2.760 3.985 1.00 0.00 C ATOM 45 N7 DA A 2 9.958 3.164 4.553 1.00 0.00 N ATOM 46 C5 DA A 2 10.582 3.926 3.592 1.00 0.00 C ATOM 47 C6 DA A 2 11.775 4.620 3.609 1.00 0.00 C ATOM 48 N6 DA A 2 12.533 4.669 4.713 1.00 0.00 N ATOM 49 N1 DA A 2 12.109 5.269 2.490 1.00 0.00 N ATOM 50 C2 DA A 2 11.305 5.236 1.420 1.00 0.00 C ATOM 51 N3 DA A 2 10.136 4.609 1.291 1.00 0.00 N ATOM 52 C4 DA A 2 9.841 3.968 2.433 1.00 0.00 C ATOM 0 H5' DA A 2 3.269 3.357 2.397 1.00 0.00 H new ATOM 0 H5'' DA A 2 4.234 3.102 3.838 1.00 0.00 H new ATOM 0 H4' DA A 2 5.124 3.659 1.068 1.00 0.00 H new ATOM 0 H3' DA A 2 5.149 1.172 2.691 1.00 0.00 H new ATOM 0 H2' DA A 2 7.516 0.948 2.550 1.00 0.00 H new ATOM 0 H2'' DA A 2 7.408 1.093 0.807 1.00 0.00 H new ATOM 0 H1' DA A 2 7.806 3.331 0.821 1.00 0.00 H new ATOM 0 H8 DA A 2 8.132 2.132 4.474 1.00 0.00 H new ATOM 0 H61 DA A 2 13.412 5.187 4.706 1.00 0.00 H new ATOM 0 H62 DA A 2 12.231 4.188 5.560 1.00 0.00 H new ATOM 0 H2 DA A 2 11.646 5.785 0.555 1.00 0.00 H new ATOM 64 P DG A 3 4.819 1.725 -0.756 1.00 0.00 P ATOM 65 OP1 DG A 3 4.082 3.009 -0.641 1.00 0.00 O ATOM 66 OP2 DG A 3 4.289 0.665 -1.650 1.00 0.00 O ATOM 67 O5' DG A 3 6.315 2.062 -1.246 1.00 0.00 O ATOM 68 C5' DG A 3 6.634 2.551 -2.563 1.00 0.00 C ATOM 69 C4' DG A 3 8.064 2.169 -2.910 1.00 0.00 C ATOM 70 O4' DG A 3 8.943 2.669 -1.911 1.00 0.00 O ATOM 71 C3' DG A 3 8.306 0.675 -2.793 1.00 0.00 C ATOM 72 O3' DG A 3 7.795 -0.105 -3.882 1.00 0.00 O ATOM 73 C2' DG A 3 9.810 0.615 -2.631 1.00 0.00 C ATOM 74 C1' DG A 3 10.189 2.052 -2.247 1.00 0.00 C ATOM 75 N9 DG A 3 10.979 2.144 -1.035 1.00 0.00 N ATOM 76 C8 DG A 3 12.066 2.912 -0.760 1.00 0.00 C ATOM 77 N7 DG A 3 12.507 2.770 0.463 1.00 0.00 N ATOM 78 C5 DG A 3 11.643 1.838 1.011 1.00 0.00 C ATOM 79 C6 DG A 3 11.600 1.271 2.296 1.00 0.00 C ATOM 80 O6 DG A 3 12.363 1.523 3.219 1.00 0.00 O ATOM 81 N1 DG A 3 10.555 0.362 2.416 1.00 0.00 N ATOM 82 C2 DG A 3 9.675 0.055 1.408 1.00 0.00 C ATOM 83 N2 DG A 3 8.724 -0.846 1.613 1.00 0.00 N ATOM 84 N3 DG A 3 9.708 0.585 0.207 1.00 0.00 N ATOM 85 C4 DG A 3 10.707 1.455 0.087 1.00 0.00 C ATOM 0 H5' DG A 3 6.516 3.634 -2.599 1.00 0.00 H new ATOM 0 H5'' DG A 3 5.945 2.131 -3.296 1.00 0.00 H new ATOM 0 H4' DG A 3 8.227 2.550 -3.918 1.00 0.00 H new ATOM 0 H3' DG A 3 7.764 0.220 -1.964 1.00 0.00 H new ATOM 0 H2' DG A 3 10.102 -0.097 -1.859 1.00 0.00 H new ATOM 0 H2'' DG A 3 10.301 0.304 -3.553 1.00 0.00 H new ATOM 0 H1' DG A 3 10.760 2.492 -3.065 1.00 0.00 H new ATOM 0 H8 DG A 3 12.521 3.575 -1.481 1.00 0.00 H new ATOM 0 H1 DG A 3 10.434 -0.108 3.313 1.00 0.00 H new ATOM 0 H21 DG A 3 8.069 -1.075 0.865 1.00 0.00 H new ATOM 0 H22 DG A 3 8.647 -1.310 2.518 1.00 0.00 H new ATOM 97 P DC A 4 8.176 0.213 -5.411 1.00 0.00 P ATOM 98 OP1 DC A 4 7.743 1.594 -5.745 1.00 0.00 O ATOM 99 OP2 DC A 4 7.728 -0.926 -6.251 1.00 0.00 O ATOM 100 O5' DC A 4 9.768 0.174 -5.299 1.00 0.00 O ATOM 101 C5' DC A 4 10.698 1.056 -5.915 1.00 0.00 C ATOM 102 C4' DC A 4 12.072 0.847 -5.294 1.00 0.00 C ATOM 103 O4' DC A 4 12.273 1.278 -3.923 1.00 0.00 O ATOM 104 C3' DC A 4 12.420 -0.629 -5.112 1.00 0.00 C ATOM 105 O3' DC A 4 12.545 -1.564 -6.181 1.00 0.00 O ATOM 106 C2' DC A 4 13.609 -0.577 -4.180 1.00 0.00 C ATOM 107 C1' DC A 4 13.553 0.775 -3.458 1.00 0.00 C ATOM 108 N1 DC A 4 13.610 0.460 -2.015 1.00 0.00 N ATOM 109 C2 DC A 4 14.603 0.954 -1.151 1.00 0.00 C ATOM 110 O2 DC A 4 15.492 1.726 -1.510 1.00 0.00 O ATOM 111 N3 DC A 4 14.575 0.550 0.142 1.00 0.00 N ATOM 112 C4 DC A 4 13.630 -0.292 0.578 1.00 0.00 C ATOM 113 N4 DC A 4 13.627 -0.663 1.855 1.00 0.00 N ATOM 114 C5 DC A 4 12.631 -0.787 -0.288 1.00 0.00 C ATOM 115 C6 DC A 4 12.657 -0.392 -1.541 1.00 0.00 C ATOM 0 H5' DC A 4 10.379 2.090 -5.783 1.00 0.00 H new ATOM 0 H5'' DC A 4 10.738 0.870 -6.988 1.00 0.00 H new ATOM 0 H4' DC A 4 12.656 1.427 -6.009 1.00 0.00 H new ATOM 0 H3' DC A 4 11.511 -1.114 -4.757 1.00 0.00 H new ATOM 0 H2' DC A 4 13.574 -1.398 -3.464 1.00 0.00 H new ATOM 0 H2'' DC A 4 14.540 -0.679 -4.737 1.00 0.00 H new ATOM 0 H1' DC A 4 14.341 1.506 -3.639 1.00 0.00 H new ATOM 0 H41 DC A 4 12.912 -1.304 2.198 1.00 0.00 H new ATOM 0 H42 DC A 4 14.340 -0.306 2.491 1.00 0.00 H new ATOM 0 H5 DC A 4 11.871 -1.467 0.067 1.00 0.00 H new ATOM 0 H6 DC A 4 11.898 -0.755 -2.218 1.00 0.00 H new ATOM 127 P DA A 5 11.537 -2.829 -6.295 1.00 0.00 P ATOM 128 OP1 DA A 5 11.950 -3.598 -7.495 1.00 0.00 O ATOM 129 OP2 DA A 5 10.146 -2.322 -6.217 1.00 0.00 O ATOM 130 O5' DA A 5 11.765 -3.797 -5.020 1.00 0.00 O ATOM 131 C5' DA A 5 11.578 -3.502 -3.622 1.00 0.00 C ATOM 132 C4' DA A 5 11.652 -4.785 -2.814 1.00 0.00 C ATOM 133 O4' DA A 5 12.785 -5.558 -3.260 1.00 0.00 O ATOM 134 C3' DA A 5 11.803 -4.770 -1.295 1.00 0.00 C ATOM 135 O3' DA A 5 10.898 -5.706 -0.674 1.00 0.00 O ATOM 136 C2' DA A 5 13.235 -5.207 -0.996 1.00 0.00 C ATOM 137 C1' DA A 5 13.834 -5.126 -2.383 1.00 0.00 C ATOM 138 N9 DA A 5 14.695 -4.016 -2.786 1.00 0.00 N ATOM 139 C8 DA A 5 14.891 -3.475 -4.029 1.00 0.00 C ATOM 140 N7 DA A 5 15.781 -2.509 -4.036 1.00 0.00 N ATOM 141 C5 DA A 5 16.191 -2.415 -2.712 1.00 0.00 C ATOM 142 C6 DA A 5 17.115 -1.590 -2.045 1.00 0.00 C ATOM 143 N6 DA A 5 17.842 -0.643 -2.646 1.00 0.00 N ATOM 144 N1 DA A 5 17.270 -1.773 -0.724 1.00 0.00 N ATOM 145 C2 DA A 5 16.550 -2.718 -0.105 1.00 0.00 C ATOM 146 N3 DA A 5 15.655 -3.549 -0.623 1.00 0.00 N ATOM 147 C4 DA A 5 15.528 -3.338 -1.940 1.00 0.00 C ATOM 0 H5' DA A 5 10.613 -3.019 -3.468 1.00 0.00 H new ATOM 0 H5'' DA A 5 12.342 -2.803 -3.283 1.00 0.00 H new ATOM 0 H4' DA A 5 10.648 -5.168 -2.998 1.00 0.00 H new ATOM 0 H3' DA A 5 11.580 -3.776 -0.907 1.00 0.00 H new ATOM 0 H2' DA A 5 13.733 -4.544 -0.288 1.00 0.00 H new ATOM 0 H2'' DA A 5 13.285 -6.213 -0.580 1.00 0.00 H new ATOM 0 H1' DA A 5 14.704 -5.780 -2.430 1.00 0.00 H new ATOM 0 H8 DA A 5 14.367 -3.809 -4.913 1.00 0.00 H new ATOM 0 H61 DA A 5 18.495 -0.079 -2.102 1.00 0.00 H new ATOM 0 H62 DA A 5 17.744 -0.484 -3.649 1.00 0.00 H new ATOM 0 H2 DA A 5 16.721 -2.816 0.957 1.00 0.00 H new ATOM 159 P DG A 6 10.828 -7.307 -0.950 1.00 0.00 P ATOM 160 OP1 DG A 6 11.439 -7.987 0.221 1.00 0.00 O ATOM 161 OP2 DG A 6 11.352 -7.602 -2.307 1.00 0.00 O ATOM 162 O5' DG A 6 9.259 -7.654 -0.971 1.00 0.00 O ATOM 163 C5' DG A 6 8.527 -8.128 0.162 1.00 0.00 C ATOM 164 C4' DG A 6 8.266 -7.025 1.161 1.00 0.00 C ATOM 165 O4' DG A 6 9.499 -6.464 1.628 1.00 0.00 O ATOM 166 C3' DG A 6 7.436 -5.815 0.674 1.00 0.00 C ATOM 167 O3' DG A 6 6.231 -5.524 1.399 1.00 0.00 O ATOM 168 C2' DG A 6 8.406 -4.706 0.983 1.00 0.00 C ATOM 169 C1' DG A 6 9.146 -5.224 2.235 1.00 0.00 C ATOM 170 N9 DG A 6 10.348 -4.448 2.522 1.00 0.00 N ATOM 171 C8 DG A 6 10.950 -3.648 1.615 1.00 0.00 C ATOM 172 N7 DG A 6 11.969 -2.996 2.052 1.00 0.00 N ATOM 173 C5 DG A 6 12.053 -3.394 3.365 1.00 0.00 C ATOM 174 C6 DG A 6 12.978 -2.999 4.320 1.00 0.00 C ATOM 175 O6 DG A 6 13.884 -2.209 4.120 1.00 0.00 O ATOM 176 N1 DG A 6 12.773 -3.593 5.542 1.00 0.00 N ATOM 177 C2 DG A 6 11.771 -4.484 5.813 1.00 0.00 C ATOM 178 N2 DG A 6 11.748 -4.947 7.072 1.00 0.00 N ATOM 179 N3 DG A 6 10.860 -4.885 4.904 1.00 0.00 N ATOM 180 C4 DG A 6 11.062 -4.297 3.699 1.00 0.00 C ATOM 0 H5' DG A 6 9.084 -8.932 0.644 1.00 0.00 H new ATOM 0 H5'' DG A 6 7.579 -8.551 -0.169 1.00 0.00 H new ATOM 0 H4' DG A 6 7.685 -7.545 1.922 1.00 0.00 H new ATOM 0 H3' DG A 6 7.095 -5.971 -0.349 1.00 0.00 H new ATOM 0 H2' DG A 6 9.092 -4.528 0.155 1.00 0.00 H new ATOM 0 H2'' DG A 6 7.892 -3.765 1.179 1.00 0.00 H new ATOM 0 H1' DG A 6 8.607 -5.221 3.182 1.00 0.00 H new ATOM 0 H8 DG A 6 10.601 -3.562 0.597 1.00 0.00 H new ATOM 0 H1 DG A 6 13.412 -3.353 6.300 1.00 0.00 H new ATOM 0 H21 DG A 6 11.032 -5.616 7.357 1.00 0.00 H new ATOM 0 H22 DG A 6 12.446 -4.630 7.745 1.00 0.00 H new ATOM 192 P DG A 7 5.299 -6.637 2.086 1.00 0.00 P ATOM 193 OP1 DG A 7 5.118 -7.755 1.126 1.00 0.00 O ATOM 194 OP2 DG A 7 4.109 -5.964 2.666 1.00 0.00 O ATOM 195 O5' DG A 7 6.270 -7.140 3.266 1.00 0.00 O ATOM 196 C5' DG A 7 5.926 -7.428 4.622 1.00 0.00 C ATOM 197 C4' DG A 7 5.998 -6.191 5.500 1.00 0.00 C ATOM 198 O4' DG A 7 7.289 -5.542 5.411 1.00 0.00 O ATOM 199 C3' DG A 7 4.966 -5.065 5.242 1.00 0.00 C ATOM 200 O3' DG A 7 4.380 -4.485 6.413 1.00 0.00 O ATOM 201 C2' DG A 7 5.921 -4.035 4.663 1.00 0.00 C ATOM 202 C1' DG A 7 7.059 -4.157 5.701 1.00 0.00 C ATOM 203 N9 DG A 7 8.148 -3.237 5.347 1.00 0.00 N ATOM 204 C8 DG A 7 8.355 -2.712 4.105 1.00 0.00 C ATOM 205 N7 DG A 7 9.337 -1.876 4.056 1.00 0.00 N ATOM 206 C5 DG A 7 9.829 -1.825 5.326 1.00 0.00 C ATOM 207 C6 DG A 7 10.903 -1.065 5.807 1.00 0.00 C ATOM 208 O6 DG A 7 11.582 -0.298 5.133 1.00 0.00 O ATOM 209 N1 DG A 7 11.119 -1.271 7.153 1.00 0.00 N ATOM 210 C2 DG A 7 10.361 -2.125 7.923 1.00 0.00 C ATOM 211 N2 DG A 7 10.695 -2.229 9.206 1.00 0.00 N ATOM 212 N3 DG A 7 9.327 -2.858 7.475 1.00 0.00 N ATOM 213 C4 DG A 7 9.116 -2.659 6.163 1.00 0.00 C ATOM 0 H5' DG A 7 6.600 -8.190 5.013 1.00 0.00 H new ATOM 0 H5'' DG A 7 4.919 -7.842 4.661 1.00 0.00 H new ATOM 0 H4' DG A 7 5.782 -6.627 6.475 1.00 0.00 H new ATOM 0 H3' DG A 7 4.111 -5.409 4.660 1.00 0.00 H new ATOM 0 H2' DG A 7 6.244 -4.281 3.652 1.00 0.00 H new ATOM 0 H2'' DG A 7 5.490 -3.035 4.625 1.00 0.00 H new ATOM 0 H1' DG A 7 6.903 -3.911 6.751 1.00 0.00 H new ATOM 0 H8 DG A 7 7.755 -2.971 3.245 1.00 0.00 H new ATOM 0 H1 DG A 7 11.881 -0.764 7.603 1.00 0.00 H new ATOM 0 H21 DG A 7 10.167 -2.847 9.822 1.00 0.00 H new ATOM 0 H22 DG A 7 11.479 -1.690 9.574 1.00 0.00 H new ATOM 225 P DT A 8 3.759 -5.354 7.611 1.00 0.00 P ATOM 226 OP1 DT A 8 3.234 -6.627 7.052 1.00 0.00 O ATOM 227 OP2 DT A 8 2.861 -4.476 8.400 1.00 0.00 O ATOM 228 O5' DT A 8 5.084 -5.690 8.457 1.00 0.00 O ATOM 229 C5' DT A 8 5.198 -5.813 9.877 1.00 0.00 C ATOM 230 C4' DT A 8 5.424 -4.463 10.536 1.00 0.00 C ATOM 231 O4' DT A 8 6.555 -3.795 9.968 1.00 0.00 O ATOM 232 C3' DT A 8 4.337 -3.431 10.511 1.00 0.00 C ATOM 233 O3' DT A 8 3.187 -3.774 11.254 1.00 0.00 O ATOM 234 C2' DT A 8 5.122 -2.267 11.099 1.00 0.00 C ATOM 235 C1' DT A 8 6.525 -2.447 10.474 1.00 0.00 C ATOM 236 N1 DT A 8 6.774 -1.510 9.377 1.00 0.00 N ATOM 237 C2 DT A 8 7.856 -0.656 9.382 1.00 0.00 C ATOM 238 O2 DT A 8 8.680 -0.637 10.295 1.00 0.00 O ATOM 239 N3 DT A 8 7.932 0.183 8.282 1.00 0.00 N ATOM 240 C4 DT A 8 7.069 0.251 7.221 1.00 0.00 C ATOM 241 O4 DT A 8 7.250 1.045 6.298 1.00 0.00 O ATOM 242 C5 DT A 8 5.982 -0.674 7.319 1.00 0.00 C ATOM 243 C7 DT A 8 4.898 -0.739 6.308 1.00 0.00 C ATOM 244 C6 DT A 8 5.896 -1.483 8.354 1.00 0.00 C ATOM 0 H5' DT A 8 6.024 -6.481 10.120 1.00 0.00 H new ATOM 0 H5'' DT A 8 4.292 -6.268 10.278 1.00 0.00 H new ATOM 0 H4' DT A 8 5.526 -4.789 11.571 1.00 0.00 H new ATOM 0 H3' DT A 8 3.889 -3.256 9.533 1.00 0.00 H new ATOM 0 H2' DT A 8 4.681 -1.306 10.832 1.00 0.00 H new ATOM 0 H2'' DT A 8 5.156 -2.311 12.188 1.00 0.00 H new ATOM 0 HO3' DT A 8 2.514 -4.159 10.655 1.00 0.00 H new ATOM 0 H1' DT A 8 7.294 -2.254 11.222 1.00 0.00 H new ATOM 0 H3 DT A 8 8.724 0.826 8.260 1.00 0.00 H new ATOM 0 H71 DT A 8 4.515 -1.758 6.251 1.00 0.00 H new ATOM 0 H72 DT A 8 4.092 -0.063 6.595 1.00 0.00 H new ATOM 0 H73 DT A 8 5.290 -0.444 5.335 1.00 0.00 H new ATOM 0 H6 DT A 8 5.065 -2.172 8.386 1.00 0.00 H new TER 258 DT A 8 ATOM 259 O5' DG B 1 8.724 6.585 12.361 1.00 0.00 O ATOM 260 C5' DG B 1 9.928 5.857 12.101 1.00 0.00 C ATOM 261 C4' DG B 1 10.077 5.454 10.649 1.00 0.00 C ATOM 262 O4' DG B 1 8.924 4.685 10.227 1.00 0.00 O ATOM 263 C3' DG B 1 10.162 6.547 9.584 1.00 0.00 C ATOM 264 O3' DG B 1 11.386 7.284 9.555 1.00 0.00 O ATOM 265 C2' DG B 1 10.005 5.616 8.390 1.00 0.00 C ATOM 266 C1' DG B 1 8.726 4.864 8.805 1.00 0.00 C ATOM 267 N9 DG B 1 7.424 5.518 8.546 1.00 0.00 N ATOM 268 C8 DG B 1 6.431 5.055 7.718 1.00 0.00 C ATOM 269 N7 DG B 1 5.376 5.824 7.682 1.00 0.00 N ATOM 270 C5 DG B 1 5.684 6.867 8.537 1.00 0.00 C ATOM 271 C6 DG B 1 4.919 8.009 8.899 1.00 0.00 C ATOM 272 O6 DG B 1 3.791 8.317 8.515 1.00 0.00 O ATOM 273 N1 DG B 1 5.595 8.820 9.790 1.00 0.00 N ATOM 274 C2 DG B 1 6.852 8.568 10.275 1.00 0.00 C ATOM 275 N2 DG B 1 7.381 9.451 11.123 1.00 0.00 N ATOM 276 N3 DG B 1 7.579 7.502 9.943 1.00 0.00 N ATOM 277 C4 DG B 1 6.942 6.696 9.078 1.00 0.00 C ATOM 0 H5' DG B 1 9.946 4.963 12.724 1.00 0.00 H new ATOM 0 H5'' DG B 1 10.784 6.466 12.392 1.00 0.00 H new ATOM 0 H4' DG B 1 11.037 4.938 10.682 1.00 0.00 H new ATOM 0 H3' DG B 1 9.455 7.369 9.693 1.00 0.00 H new ATOM 0 H2' DG B 1 9.884 6.158 7.452 1.00 0.00 H new ATOM 0 H2'' DG B 1 10.859 4.950 8.266 1.00 0.00 H new ATOM 0 HO5' DG B 1 8.444 7.054 11.548 1.00 0.00 H new ATOM 0 H1' DG B 1 8.628 3.961 8.202 1.00 0.00 H new ATOM 0 H8 DG B 1 6.515 4.140 7.150 1.00 0.00 H new ATOM 0 H1 DG B 1 5.125 9.667 10.110 1.00 0.00 H new ATOM 0 H21 DG B 1 8.314 9.296 11.504 1.00 0.00 H new ATOM 0 H22 DG B 1 6.852 10.281 11.390 1.00 0.00 H new ATOM 290 P DA B 2 11.643 8.581 10.482 1.00 0.00 P ATOM 291 OP1 DA B 2 10.417 8.837 11.284 1.00 0.00 O ATOM 292 OP2 DA B 2 12.168 9.661 9.609 1.00 0.00 O ATOM 293 O5' DA B 2 12.828 8.162 11.486 1.00 0.00 O ATOM 294 C5' DA B 2 14.156 7.941 10.995 1.00 0.00 C ATOM 295 C4' DA B 2 14.477 6.467 11.025 1.00 0.00 C ATOM 296 O4' DA B 2 13.514 5.760 10.278 1.00 0.00 O ATOM 297 C3' DA B 2 15.781 6.024 10.357 1.00 0.00 C ATOM 298 O3' DA B 2 16.948 5.984 11.193 1.00 0.00 O ATOM 299 C2' DA B 2 15.462 4.644 9.798 1.00 0.00 C ATOM 300 C1' DA B 2 14.028 4.427 10.234 1.00 0.00 C ATOM 301 N9 DA B 2 13.148 3.878 9.223 1.00 0.00 N ATOM 302 C8 DA B 2 13.016 4.335 7.938 1.00 0.00 C ATOM 303 N7 DA B 2 12.101 3.701 7.267 1.00 0.00 N ATOM 304 C5 DA B 2 11.604 2.777 8.158 1.00 0.00 C ATOM 305 C6 DA B 2 10.615 1.824 8.028 1.00 0.00 C ATOM 306 N6 DA B 2 9.914 1.703 6.892 1.00 0.00 N ATOM 307 N1 DA B 2 10.368 1.065 9.098 1.00 0.00 N ATOM 308 C2 DA B 2 11.055 1.242 10.232 1.00 0.00 C ATOM 309 N3 DA B 2 12.020 2.128 10.474 1.00 0.00 N ATOM 310 C4 DA B 2 12.240 2.867 9.375 1.00 0.00 C ATOM 0 H5' DA B 2 14.874 8.491 11.604 1.00 0.00 H new ATOM 0 H5'' DA B 2 14.244 8.320 9.977 1.00 0.00 H new ATOM 0 H4' DA B 2 14.525 6.266 12.095 1.00 0.00 H new ATOM 0 H3' DA B 2 16.067 6.764 9.609 1.00 0.00 H new ATOM 0 H2' DA B 2 15.564 4.614 8.713 1.00 0.00 H new ATOM 0 H2'' DA B 2 16.127 3.881 10.202 1.00 0.00 H new ATOM 0 H1' DA B 2 14.047 3.785 11.114 1.00 0.00 H new ATOM 0 H8 DA B 2 13.610 5.138 7.526 1.00 0.00 H new ATOM 0 H61 DA B 2 9.187 0.992 6.815 1.00 0.00 H new ATOM 0 H62 DA B 2 10.108 2.322 6.105 1.00 0.00 H new ATOM 0 H2 DA B 2 10.796 0.587 11.051 1.00 0.00 H new ATOM 322 P DG B 3 16.990 5.442 12.722 1.00 0.00 P ATOM 323 OP1 DG B 3 16.065 6.277 13.529 1.00 0.00 O ATOM 324 OP2 DG B 3 18.419 5.355 13.119 1.00 0.00 O ATOM 325 O5' DG B 3 16.406 3.943 12.703 1.00 0.00 O ATOM 326 C5' DG B 3 16.375 3.082 13.859 1.00 0.00 C ATOM 327 C4' DG B 3 16.383 1.630 13.406 1.00 0.00 C ATOM 328 O4' DG B 3 15.292 1.404 12.524 1.00 0.00 O ATOM 329 C3' DG B 3 17.563 1.316 12.502 1.00 0.00 C ATOM 330 O3' DG B 3 18.813 1.149 13.180 1.00 0.00 O ATOM 331 C2' DG B 3 17.074 0.080 11.775 1.00 0.00 C ATOM 332 C1' DG B 3 15.559 0.093 12.019 1.00 0.00 C ATOM 333 N9 DG B 3 14.771 0.001 10.806 1.00 0.00 N ATOM 334 C8 DG B 3 13.654 -0.727 10.544 1.00 0.00 C ATOM 335 N7 DG B 3 13.176 -0.535 9.344 1.00 0.00 N ATOM 336 C5 DG B 3 14.054 0.380 8.790 1.00 0.00 C ATOM 337 C6 DG B 3 14.076 0.977 7.518 1.00 0.00 C ATOM 338 O6 DG B 3 13.266 0.787 6.620 1.00 0.00 O ATOM 339 N1 DG B 3 15.154 1.845 7.383 1.00 0.00 N ATOM 340 C2 DG B 3 16.082 2.088 8.366 1.00 0.00 C ATOM 341 N2 DG B 3 17.090 2.917 8.131 1.00 0.00 N ATOM 342 N3 DG B 3 16.063 1.538 9.557 1.00 0.00 N ATOM 343 C4 DG B 3 15.033 0.705 9.691 1.00 0.00 C ATOM 0 H5' DG B 3 15.484 3.284 14.453 1.00 0.00 H new ATOM 0 H5'' DG B 3 17.236 3.280 14.497 1.00 0.00 H new ATOM 0 H4' DG B 3 16.379 1.041 14.323 1.00 0.00 H new ATOM 0 H3' DG B 3 17.820 2.139 11.835 1.00 0.00 H new ATOM 0 H2' DG B 3 17.309 0.121 10.711 1.00 0.00 H new ATOM 0 H2'' DG B 3 17.536 -0.826 12.169 1.00 0.00 H new ATOM 0 H1' DG B 3 15.303 -0.750 12.660 1.00 0.00 H new ATOM 0 H8 DG B 3 13.205 -1.400 11.259 1.00 0.00 H new ATOM 0 H1 DG B 3 15.263 2.334 6.494 1.00 0.00 H new ATOM 0 H21 DG B 3 17.781 3.099 8.859 1.00 0.00 H new ATOM 0 H22 DG B 3 17.175 3.372 7.222 1.00 0.00 H new ATOM 355 P DC B 4 18.992 0.112 14.397 1.00 0.00 P ATOM 356 OP1 DC B 4 18.055 0.477 15.491 1.00 0.00 O ATOM 357 OP2 DC B 4 20.442 -0.028 14.683 1.00 0.00 O ATOM 358 O5' DC B 4 18.478 -1.220 13.687 1.00 0.00 O ATOM 359 C5' DC B 4 17.646 -2.231 14.245 1.00 0.00 C ATOM 360 C4' DC B 4 17.156 -3.148 13.132 1.00 0.00 C ATOM 361 O4' DC B 4 16.201 -2.611 12.180 1.00 0.00 O ATOM 362 C3' DC B 4 18.261 -3.521 12.146 1.00 0.00 C ATOM 363 O3' DC B 4 19.437 -4.248 12.492 1.00 0.00 O ATOM 364 C2' DC B 4 17.486 -4.097 10.983 1.00 0.00 C ATOM 365 C1' DC B 4 16.056 -3.552 11.085 1.00 0.00 C ATOM 366 N1 DC B 4 15.768 -2.938 9.771 1.00 0.00 N ATOM 367 C2 DC B 4 14.698 -3.332 8.951 1.00 0.00 C ATOM 368 O2 DC B 4 13.880 -4.195 9.272 1.00 0.00 O ATOM 369 N3 DC B 4 14.569 -2.728 7.745 1.00 0.00 N ATOM 370 C4 DC B 4 15.436 -1.787 7.354 1.00 0.00 C ATOM 371 N4 DC B 4 15.276 -1.208 6.166 1.00 0.00 N ATOM 372 C5 DC B 4 16.511 -1.391 8.178 1.00 0.00 C ATOM 373 C6 DC B 4 16.633 -1.974 9.349 1.00 0.00 C ATOM 0 H5' DC B 4 16.798 -1.778 14.759 1.00 0.00 H new ATOM 0 H5'' DC B 4 18.200 -2.805 14.988 1.00 0.00 H new ATOM 0 H4' DC B 4 16.735 -3.939 13.752 1.00 0.00 H new ATOM 0 H3' DC B 4 18.839 -2.612 11.979 1.00 0.00 H new ATOM 0 H2' DC B 4 17.942 -3.810 10.035 1.00 0.00 H new ATOM 0 H2'' DC B 4 17.487 -5.186 11.020 1.00 0.00 H new ATOM 0 H1' DC B 4 15.237 -4.244 11.281 1.00 0.00 H new ATOM 0 H41 DC B 4 15.930 -0.489 5.857 1.00 0.00 H new ATOM 0 H42 DC B 4 14.499 -1.483 5.565 1.00 0.00 H new ATOM 0 H5 DC B 4 17.210 -0.634 7.857 1.00 0.00 H new ATOM 0 H6 DC B 4 17.445 -1.680 9.998 1.00 0.00 H new ATOM 385 P DA B 5 20.901 -3.564 12.355 1.00 0.00 P ATOM 386 OP1 DA B 5 21.891 -4.586 12.776 1.00 0.00 O ATOM 387 OP2 DA B 5 20.875 -2.263 13.066 1.00 0.00 O ATOM 388 O5' DA B 5 21.190 -3.251 10.796 1.00 0.00 O ATOM 389 C5' DA B 5 20.466 -2.381 9.904 1.00 0.00 C ATOM 390 C4' DA B 5 21.254 -2.194 8.619 1.00 0.00 C ATOM 391 O4' DA B 5 21.732 -3.477 8.170 1.00 0.00 O ATOM 392 C3' DA B 5 20.618 -1.588 7.370 1.00 0.00 C ATOM 393 O3' DA B 5 21.486 -0.605 6.772 1.00 0.00 O ATOM 394 C2' DA B 5 20.430 -2.736 6.380 1.00 0.00 C ATOM 395 C1' DA B 5 20.692 -3.918 7.287 1.00 0.00 C ATOM 396 N9 DA B 5 19.605 -4.740 7.813 1.00 0.00 N ATOM 397 C8 DA B 5 19.541 -5.453 8.982 1.00 0.00 C ATOM 398 N7 DA B 5 18.421 -6.125 9.115 1.00 0.00 N ATOM 399 C5 DA B 5 17.708 -5.831 7.958 1.00 0.00 C ATOM 400 C6 DA B 5 16.445 -6.222 7.478 1.00 0.00 C ATOM 401 N6 DA B 5 15.617 -7.040 8.133 1.00 0.00 N ATOM 402 N1 DA B 5 16.058 -5.738 6.288 1.00 0.00 N ATOM 403 C2 DA B 5 16.874 -4.916 5.616 1.00 0.00 C ATOM 404 N3 DA B 5 18.077 -4.479 5.965 1.00 0.00 N ATOM 405 C4 DA B 5 18.431 -4.982 7.155 1.00 0.00 C ATOM 0 H5' DA B 5 20.295 -1.416 10.381 1.00 0.00 H new ATOM 0 H5'' DA B 5 19.486 -2.805 9.683 1.00 0.00 H new ATOM 0 H4' DA B 5 21.978 -1.454 8.959 1.00 0.00 H new ATOM 0 H3' DA B 5 19.678 -1.099 7.627 1.00 0.00 H new ATOM 0 H2' DA B 5 19.428 -2.755 5.951 1.00 0.00 H new ATOM 0 H2'' DA B 5 21.132 -2.687 5.548 1.00 0.00 H new ATOM 0 H1' DA B 5 21.002 -4.768 6.679 1.00 0.00 H new ATOM 0 H8 DA B 5 20.331 -5.461 9.718 1.00 0.00 H new ATOM 0 H61 DA B 5 14.714 -7.283 7.727 1.00 0.00 H new ATOM 0 H62 DA B 5 15.888 -7.421 9.039 1.00 0.00 H new ATOM 0 H2 DA B 5 16.504 -4.562 4.665 1.00 0.00 H new ATOM 417 P DG B 6 23.006 -0.851 6.247 1.00 0.00 P ATOM 418 OP1 DG B 6 22.962 -0.889 4.761 1.00 0.00 O ATOM 419 OP2 DG B 6 23.607 -1.993 6.977 1.00 0.00 O ATOM 420 O5' DG B 6 23.815 0.465 6.691 1.00 0.00 O ATOM 421 C5' DG B 6 24.034 1.597 5.845 1.00 0.00 C ATOM 422 C4' DG B 6 22.780 2.427 5.686 1.00 0.00 C ATOM 423 O4' DG B 6 21.724 1.641 5.119 1.00 0.00 O ATOM 424 C3' DG B 6 22.176 3.043 6.969 1.00 0.00 C ATOM 425 O3' DG B 6 22.033 4.471 6.993 1.00 0.00 O ATOM 426 C2' DG B 6 20.786 2.471 6.891 1.00 0.00 C ATOM 427 C1' DG B 6 20.529 2.376 5.370 1.00 0.00 C ATOM 428 N9 DG B 6 19.363 1.555 5.061 1.00 0.00 N ATOM 429 C8 DG B 6 18.817 0.680 5.935 1.00 0.00 C ATOM 430 N7 DG B 6 17.761 0.077 5.517 1.00 0.00 N ATOM 431 C5 DG B 6 17.586 0.596 4.255 1.00 0.00 C ATOM 432 C6 DG B 6 16.587 0.297 3.341 1.00 0.00 C ATOM 433 O6 DG B 6 15.687 -0.500 3.536 1.00 0.00 O ATOM 434 N1 DG B 6 16.708 0.999 2.167 1.00 0.00 N ATOM 435 C2 DG B 6 17.700 1.905 1.902 1.00 0.00 C ATOM 436 N2 DG B 6 17.633 2.482 0.692 1.00 0.00 N ATOM 437 N3 DG B 6 18.681 2.214 2.774 1.00 0.00 N ATOM 438 C4 DG B 6 18.560 1.519 3.932 1.00 0.00 C ATOM 0 H5' DG B 6 24.374 1.259 4.866 1.00 0.00 H new ATOM 0 H5'' DG B 6 24.829 2.215 6.262 1.00 0.00 H new ATOM 0 H4' DG B 6 23.129 3.244 5.055 1.00 0.00 H new ATOM 0 H3' DG B 6 22.807 2.827 7.831 1.00 0.00 H new ATOM 0 H2' DG B 6 20.725 1.495 7.372 1.00 0.00 H new ATOM 0 H2'' DG B 6 20.057 3.115 7.383 1.00 0.00 H new ATOM 0 H1' DG B 6 20.342 3.302 4.827 1.00 0.00 H new ATOM 0 H8 DG B 6 19.237 0.500 6.914 1.00 0.00 H new ATOM 0 H1 DG B 6 16.010 0.834 1.442 1.00 0.00 H new ATOM 0 H21 DG B 6 18.334 3.169 0.415 1.00 0.00 H new ATOM 0 H22 DG B 6 16.881 2.233 0.049 1.00 0.00 H new ATOM 450 P DG B 7 23.038 5.493 6.268 1.00 0.00 P ATOM 451 OP1 DG B 7 24.430 5.064 6.556 1.00 0.00 O ATOM 452 OP2 DG B 7 22.615 6.879 6.586 1.00 0.00 O ATOM 453 O5' DG B 7 22.722 5.165 4.725 1.00 0.00 O ATOM 454 C5' DG B 7 22.570 6.087 3.646 1.00 0.00 C ATOM 455 C4' DG B 7 21.141 6.585 3.519 1.00 0.00 C ATOM 456 O4' DG B 7 20.198 5.489 3.413 1.00 0.00 O ATOM 457 C3' DG B 7 20.587 7.478 4.659 1.00 0.00 C ATOM 458 O3' DG B 7 19.828 8.616 4.234 1.00 0.00 O ATOM 459 C2' DG B 7 19.605 6.480 5.249 1.00 0.00 C ATOM 460 C1' DG B 7 18.958 5.980 3.939 1.00 0.00 C ATOM 461 N9 DG B 7 17.944 4.962 4.248 1.00 0.00 N ATOM 462 C8 DG B 7 17.891 4.239 5.402 1.00 0.00 C ATOM 463 N7 DG B 7 16.870 3.452 5.471 1.00 0.00 N ATOM 464 C5 DG B 7 16.190 3.645 4.305 1.00 0.00 C ATOM 465 C6 DG B 7 15.006 3.026 3.884 1.00 0.00 C ATOM 466 O6 DG B 7 14.377 2.194 4.529 1.00 0.00 O ATOM 467 N1 DG B 7 14.608 3.465 2.640 1.00 0.00 N ATOM 468 C2 DG B 7 15.302 4.404 1.907 1.00 0.00 C ATOM 469 N2 DG B 7 14.802 4.723 0.717 1.00 0.00 N ATOM 470 N3 DG B 7 16.437 5.007 2.300 1.00 0.00 N ATOM 471 C4 DG B 7 16.827 4.577 3.513 1.00 0.00 C ATOM 0 H5' DG B 7 22.871 5.607 2.715 1.00 0.00 H new ATOM 0 H5'' DG B 7 23.237 6.935 3.798 1.00 0.00 H new ATOM 0 H4' DG B 7 21.221 7.197 2.621 1.00 0.00 H new ATOM 0 H3' DG B 7 21.377 7.901 5.280 1.00 0.00 H new ATOM 0 H2' DG B 7 20.097 5.683 5.807 1.00 0.00 H new ATOM 0 H2'' DG B 7 18.886 6.944 5.924 1.00 0.00 H new ATOM 0 H1' DG B 7 18.398 6.651 3.287 1.00 0.00 H new ATOM 0 H8 DG B 7 18.632 4.317 6.184 1.00 0.00 H new ATOM 0 H1 DG B 7 13.755 3.075 2.240 1.00 0.00 H new ATOM 0 H21 DG B 7 15.276 5.412 0.133 1.00 0.00 H new ATOM 0 H22 DG B 7 13.945 4.278 0.388 1.00 0.00 H new ATOM 483 P DT B 8 20.329 9.640 3.105 1.00 0.00 P ATOM 484 OP1 DT B 8 21.814 9.687 3.133 1.00 0.00 O ATOM 485 OP2 DT B 8 19.554 10.898 3.246 1.00 0.00 O ATOM 486 O5' DT B 8 19.881 8.861 1.772 1.00 0.00 O ATOM 487 C5' DT B 8 19.416 9.435 0.547 1.00 0.00 C ATOM 488 C4' DT B 8 17.920 9.703 0.593 1.00 0.00 C ATOM 489 O4' DT B 8 17.193 8.519 0.933 1.00 0.00 O ATOM 490 C3' DT B 8 17.379 10.747 1.521 1.00 0.00 C ATOM 491 O3' DT B 8 17.762 12.069 1.205 1.00 0.00 O ATOM 492 C2' DT B 8 15.895 10.475 1.319 1.00 0.00 C ATOM 493 C1' DT B 8 15.840 8.935 1.193 1.00 0.00 C ATOM 494 N1 DT B 8 15.358 8.289 2.416 1.00 0.00 N ATOM 495 C2 DT B 8 14.269 7.444 2.412 1.00 0.00 C ATOM 496 O2 DT B 8 13.646 7.172 1.387 1.00 0.00 O ATOM 497 N3 DT B 8 13.929 6.936 3.656 1.00 0.00 N ATOM 498 C4 DT B 8 14.545 7.182 4.855 1.00 0.00 C ATOM 499 O4 DT B 8 14.146 6.665 5.898 1.00 0.00 O ATOM 500 C5 DT B 8 15.660 8.073 4.745 1.00 0.00 C ATOM 501 C7 DT B 8 16.443 8.519 5.924 1.00 0.00 C ATOM 502 C6 DT B 8 16.000 8.560 3.570 1.00 0.00 C ATOM 0 H5' DT B 8 19.641 8.762 -0.280 1.00 0.00 H new ATOM 0 H5'' DT B 8 19.948 10.366 0.355 1.00 0.00 H new ATOM 0 H4' DT B 8 17.780 10.079 -0.420 1.00 0.00 H new ATOM 0 H3' DT B 8 17.739 10.683 2.548 1.00 0.00 H new ATOM 0 H2' DT B 8 15.301 10.833 2.160 1.00 0.00 H new ATOM 0 H2'' DT B 8 15.512 10.967 0.425 1.00 0.00 H new ATOM 0 HO3' DT B 8 18.547 12.318 1.736 1.00 0.00 H new ATOM 0 H1' DT B 8 15.146 8.649 0.403 1.00 0.00 H new ATOM 0 H3 DT B 8 13.127 6.306 3.682 1.00 0.00 H new ATOM 0 H71 DT B 8 17.473 8.713 5.625 1.00 0.00 H new ATOM 0 H72 DT B 8 16.004 9.431 6.328 1.00 0.00 H new ATOM 0 H73 DT B 8 16.428 7.740 6.687 1.00 0.00 H new ATOM 0 H6 DT B 8 16.852 9.222 3.528 1.00 0.00 H new TER 516 DT B 8