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 -14:sc= 1.32 USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT O3' : rot -92:sc= 0.0157 USER MOD Single : B 1 DG O5' : rot -8:sc= 1.36 USER MOD Single : B 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT O3' : rot -95:sc= 0.0166 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.371 8.623 2.919 1.00 0.00 O ATOM 2 C5' DG A 1 6.793 7.337 2.462 1.00 0.00 C ATOM 3 C4' DG A 1 7.683 6.599 3.445 1.00 0.00 C ATOM 4 O4' DG A 1 8.881 7.348 3.764 1.00 0.00 O ATOM 5 C3' DG A 1 7.142 6.240 4.835 1.00 0.00 C ATOM 6 O3' DG A 1 6.120 5.244 4.867 1.00 0.00 O ATOM 7 C2' DG A 1 8.461 5.734 5.396 1.00 0.00 C ATOM 8 C1' DG A 1 9.359 6.947 5.074 1.00 0.00 C ATOM 9 N9 DG A 1 9.330 8.105 5.992 1.00 0.00 N ATOM 10 C8 DG A 1 10.342 8.519 6.824 1.00 0.00 C ATOM 11 N7 DG A 1 10.057 9.592 7.510 1.00 0.00 N ATOM 12 C5 DG A 1 8.770 9.917 7.113 1.00 0.00 C ATOM 13 C6 DG A 1 7.929 10.989 7.519 1.00 0.00 C ATOM 14 O6 DG A 1 8.179 11.878 8.331 1.00 0.00 O ATOM 15 N1 DG A 1 6.707 10.955 6.878 1.00 0.00 N ATOM 16 C2 DG A 1 6.333 10.008 5.959 1.00 0.00 C ATOM 17 N2 DG A 1 5.109 10.100 5.436 1.00 0.00 N ATOM 18 N3 DG A 1 7.112 8.999 5.571 1.00 0.00 N ATOM 19 C4 DG A 1 8.308 9.010 6.180 1.00 0.00 C ATOM 0 H5' DG A 1 7.328 7.454 1.519 1.00 0.00 H new ATOM 0 H5'' DG A 1 5.913 6.728 2.256 1.00 0.00 H new ATOM 0 H4' DG A 1 7.817 5.680 2.874 1.00 0.00 H new ATOM 0 H3' DG A 1 6.630 7.048 5.357 1.00 0.00 H new ATOM 0 H2' DG A 1 8.408 5.524 6.464 1.00 0.00 H new ATOM 0 H2'' DG A 1 8.801 4.820 4.908 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.548 8.703 3.879 1.00 0.00 H new ATOM 0 H1' DG A 1 10.402 6.640 5.156 1.00 0.00 H new ATOM 0 H8 DG A 1 11.288 8.003 6.903 1.00 0.00 H new ATOM 0 H1 DG A 1 6.034 11.687 7.104 1.00 0.00 H new ATOM 0 H21 DG A 1 4.795 9.414 4.749 1.00 0.00 H new ATOM 0 H22 DG A 1 4.487 10.856 5.723 1.00 0.00 H new ATOM 32 P DA A 2 4.561 5.606 4.668 1.00 0.00 P ATOM 33 OP1 DA A 2 4.436 7.080 4.518 1.00 0.00 O ATOM 34 OP2 DA A 2 3.795 4.917 5.737 1.00 0.00 O ATOM 35 O5' DA A 2 4.150 4.934 3.268 1.00 0.00 O ATOM 36 C5' DA A 2 4.150 3.515 3.079 1.00 0.00 C ATOM 37 C4' DA A 2 5.300 3.125 2.183 1.00 0.00 C ATOM 38 O4' DA A 2 6.517 3.526 2.776 1.00 0.00 O ATOM 39 C3' DA A 2 5.546 1.632 1.945 1.00 0.00 C ATOM 40 O3' DA A 2 4.903 1.067 0.791 1.00 0.00 O ATOM 41 C2' DA A 2 7.060 1.514 1.826 1.00 0.00 C ATOM 42 C1' DA A 2 7.519 2.952 1.932 1.00 0.00 C ATOM 43 N9 DA A 2 8.682 3.185 2.766 1.00 0.00 N ATOM 44 C8 DA A 2 8.854 2.729 4.047 1.00 0.00 C ATOM 45 N7 DA A 2 9.958 3.155 4.589 1.00 0.00 N ATOM 46 C5 DA A 2 10.544 3.930 3.613 1.00 0.00 C ATOM 47 C6 DA A 2 11.725 4.649 3.602 1.00 0.00 C ATOM 48 N6 DA A 2 12.505 4.707 4.690 1.00 0.00 N ATOM 49 N1 DA A 2 12.022 5.308 2.479 1.00 0.00 N ATOM 50 C2 DA A 2 11.193 5.262 1.430 1.00 0.00 C ATOM 51 N3 DA A 2 10.033 4.612 1.328 1.00 0.00 N ATOM 52 C4 DA A 2 9.773 3.961 2.475 1.00 0.00 C ATOM 0 H5' DA A 2 3.206 3.197 2.636 1.00 0.00 H new ATOM 0 H5'' DA A 2 4.237 3.010 4.041 1.00 0.00 H new ATOM 0 H4' DA A 2 5.015 3.598 1.243 1.00 0.00 H new ATOM 0 H3' DA A 2 5.110 1.062 2.766 1.00 0.00 H new ATOM 0 H2' DA A 2 7.481 0.896 2.619 1.00 0.00 H new ATOM 0 H2'' DA A 2 7.357 1.064 0.879 1.00 0.00 H new ATOM 0 H1' DA A 2 7.705 3.311 0.920 1.00 0.00 H new ATOM 0 H8 DA A 2 8.149 2.085 4.552 1.00 0.00 H new ATOM 0 H61 DA A 2 13.373 5.241 4.667 1.00 0.00 H new ATOM 0 H62 DA A 2 12.230 4.217 5.541 1.00 0.00 H new ATOM 0 H2 DA A 2 11.501 5.820 0.558 1.00 0.00 H new ATOM 64 P DG A 3 4.776 1.775 -0.666 1.00 0.00 P ATOM 65 OP1 DG A 3 4.038 3.052 -0.489 1.00 0.00 O ATOM 66 OP2 DG A 3 4.241 0.756 -1.603 1.00 0.00 O ATOM 67 O5' DG A 3 6.268 2.138 -1.153 1.00 0.00 O ATOM 68 C5' DG A 3 6.572 2.683 -2.453 1.00 0.00 C ATOM 69 C4' DG A 3 7.999 2.315 -2.839 1.00 0.00 C ATOM 70 O4' DG A 3 8.891 2.776 -1.834 1.00 0.00 O ATOM 71 C3' DG A 3 8.237 0.816 -2.785 1.00 0.00 C ATOM 72 O3' DG A 3 7.724 0.088 -3.907 1.00 0.00 O ATOM 73 C2' DG A 3 9.744 0.744 -2.625 1.00 0.00 C ATOM 74 C1' DG A 3 10.132 2.168 -2.206 1.00 0.00 C ATOM 75 N9 DG A 3 10.930 2.228 -1.000 1.00 0.00 N ATOM 76 C8 DG A 3 12.018 2.991 -0.716 1.00 0.00 C ATOM 77 N7 DG A 3 12.468 2.826 0.500 1.00 0.00 N ATOM 78 C5 DG A 3 11.610 1.881 1.036 1.00 0.00 C ATOM 79 C6 DG A 3 11.579 1.290 2.311 1.00 0.00 C ATOM 80 O6 DG A 3 12.350 1.528 3.230 1.00 0.00 O ATOM 81 N1 DG A 3 10.537 0.375 2.424 1.00 0.00 N ATOM 82 C2 DG A 3 9.649 0.084 1.417 1.00 0.00 C ATOM 83 N2 DG A 3 8.705 -0.830 1.613 1.00 0.00 N ATOM 84 N3 DG A 3 9.671 0.638 0.225 1.00 0.00 N ATOM 85 C4 DG A 3 10.666 1.514 0.112 1.00 0.00 C ATOM 0 H5' DG A 3 6.456 3.767 -2.441 1.00 0.00 H new ATOM 0 H5'' DG A 3 5.872 2.296 -3.194 1.00 0.00 H new ATOM 0 H4' DG A 3 8.151 2.735 -3.833 1.00 0.00 H new ATOM 0 H3' DG A 3 7.694 0.327 -1.976 1.00 0.00 H new ATOM 0 H2' DG A 3 10.032 0.012 -1.871 1.00 0.00 H new ATOM 0 H2'' DG A 3 10.232 0.453 -3.555 1.00 0.00 H new ATOM 0 H1' DG A 3 10.696 2.626 -3.019 1.00 0.00 H new ATOM 0 H8 DG A 3 12.468 3.669 -1.427 1.00 0.00 H new ATOM 0 H1 DG A 3 10.425 -0.112 3.313 1.00 0.00 H new ATOM 0 H21 DG A 3 8.044 -1.048 0.867 1.00 0.00 H new ATOM 0 H22 DG A 3 8.641 -1.313 2.509 1.00 0.00 H new ATOM 97 P DC A 4 8.102 0.478 -5.420 1.00 0.00 P ATOM 98 OP1 DC A 4 7.676 1.876 -5.685 1.00 0.00 O ATOM 99 OP2 DC A 4 7.642 -0.615 -6.312 1.00 0.00 O ATOM 100 O5' DC A 4 9.695 0.428 -5.317 1.00 0.00 O ATOM 101 C5' DC A 4 10.622 1.332 -5.908 1.00 0.00 C ATOM 102 C4' DC A 4 12.004 1.090 -5.318 1.00 0.00 C ATOM 103 O4' DC A 4 12.212 1.455 -3.927 1.00 0.00 O ATOM 104 C3' DC A 4 12.351 -0.397 -5.218 1.00 0.00 C ATOM 105 O3' DC A 4 12.482 -1.302 -6.317 1.00 0.00 O ATOM 106 C2' DC A 4 13.485 -0.443 -4.211 1.00 0.00 C ATOM 107 C1' DC A 4 13.490 0.922 -3.493 1.00 0.00 C ATOM 108 N1 DC A 4 13.587 0.608 -2.052 1.00 0.00 N ATOM 109 C2 DC A 4 14.617 1.067 -1.206 1.00 0.00 C ATOM 110 O2 DC A 4 15.519 1.826 -1.567 1.00 0.00 O ATOM 111 N3 DC A 4 14.613 0.644 0.081 1.00 0.00 N ATOM 112 C4 DC A 4 13.660 -0.181 0.528 1.00 0.00 C ATOM 113 N4 DC A 4 13.692 -0.574 1.797 1.00 0.00 N ATOM 114 C5 DC A 4 12.627 -0.640 -0.317 1.00 0.00 C ATOM 115 C6 DC A 4 12.629 -0.226 -1.567 1.00 0.00 C ATOM 0 H5' DC A 4 10.311 2.361 -5.726 1.00 0.00 H new ATOM 0 H5'' DC A 4 10.646 1.192 -6.989 1.00 0.00 H new ATOM 0 H4' DC A 4 12.588 1.700 -6.007 1.00 0.00 H new ATOM 0 H3' DC A 4 11.406 -0.873 -4.955 1.00 0.00 H new ATOM 0 H2' DC A 4 13.339 -1.255 -3.499 1.00 0.00 H new ATOM 0 H2'' DC A 4 14.438 -0.623 -4.708 1.00 0.00 H new ATOM 0 H1' DC A 4 14.289 1.635 -3.698 1.00 0.00 H new ATOM 0 H41 DC A 4 12.973 -1.203 2.154 1.00 0.00 H new ATOM 0 H42 DC A 4 14.436 -0.247 2.414 1.00 0.00 H new ATOM 0 H5 DC A 4 11.861 -1.308 0.049 1.00 0.00 H new ATOM 0 H6 DC A 4 11.844 -0.560 -2.229 1.00 0.00 H new ATOM 127 P DA A 5 11.384 -2.461 -6.617 1.00 0.00 P ATOM 128 OP1 DA A 5 11.902 -3.239 -7.771 1.00 0.00 O ATOM 129 OP2 DA A 5 10.054 -1.819 -6.738 1.00 0.00 O ATOM 130 O5' DA A 5 11.317 -3.490 -5.366 1.00 0.00 O ATOM 131 C5' DA A 5 10.993 -3.199 -3.993 1.00 0.00 C ATOM 132 C4' DA A 5 11.318 -4.397 -3.109 1.00 0.00 C ATOM 133 O4' DA A 5 12.558 -4.975 -3.533 1.00 0.00 O ATOM 134 C3' DA A 5 11.455 -4.248 -1.610 1.00 0.00 C ATOM 135 O3' DA A 5 11.455 -5.438 -0.795 1.00 0.00 O ATOM 136 C2' DA A 5 12.853 -3.715 -1.551 1.00 0.00 C ATOM 137 C1' DA A 5 13.558 -4.572 -2.589 1.00 0.00 C ATOM 138 N9 DA A 5 14.593 -3.758 -3.228 1.00 0.00 N ATOM 139 C8 DA A 5 14.827 -3.478 -4.549 1.00 0.00 C ATOM 140 N7 DA A 5 15.863 -2.692 -4.737 1.00 0.00 N ATOM 141 C5 DA A 5 16.330 -2.445 -3.450 1.00 0.00 C ATOM 142 C6 DA A 5 17.397 -1.689 -2.934 1.00 0.00 C ATOM 143 N6 DA A 5 18.252 -0.995 -3.693 1.00 0.00 N ATOM 144 N1 DA A 5 17.552 -1.674 -1.597 1.00 0.00 N ATOM 145 C2 DA A 5 16.699 -2.370 -0.831 1.00 0.00 C ATOM 146 N3 DA A 5 15.672 -3.109 -1.201 1.00 0.00 N ATOM 147 C4 DA A 5 15.550 -3.098 -2.530 1.00 0.00 C ATOM 0 H5' DA A 5 9.935 -2.951 -3.906 1.00 0.00 H new ATOM 0 H5'' DA A 5 11.554 -2.327 -3.657 1.00 0.00 H new ATOM 0 H4' DA A 5 10.411 -4.984 -3.249 1.00 0.00 H new ATOM 0 H3' DA A 5 10.610 -3.679 -1.223 1.00 0.00 H new ATOM 0 H2' DA A 5 12.897 -2.654 -1.799 1.00 0.00 H new ATOM 0 H2'' DA A 5 13.292 -3.829 -0.560 1.00 0.00 H new ATOM 0 H1' DA A 5 14.035 -5.452 -2.157 1.00 0.00 H new ATOM 0 H8 DA A 5 14.221 -3.865 -5.355 1.00 0.00 H new ATOM 0 H61 DA A 5 19.007 -0.465 -3.257 1.00 0.00 H new ATOM 0 H62 DA A 5 18.149 -0.995 -4.708 1.00 0.00 H new ATOM 0 H2 DA A 5 16.878 -2.318 0.233 1.00 0.00 H new ATOM 159 P DG A 6 11.144 -6.973 -1.194 1.00 0.00 P ATOM 160 OP1 DG A 6 11.587 -7.811 -0.051 1.00 0.00 O ATOM 161 OP2 DG A 6 11.698 -7.255 -2.541 1.00 0.00 O ATOM 162 O5' DG A 6 9.541 -7.076 -1.302 1.00 0.00 O ATOM 163 C5' DG A 6 8.750 -7.798 -0.350 1.00 0.00 C ATOM 164 C4' DG A 6 8.379 -6.931 0.835 1.00 0.00 C ATOM 165 O4' DG A 6 9.563 -6.404 1.462 1.00 0.00 O ATOM 166 C3' DG A 6 7.482 -5.712 0.542 1.00 0.00 C ATOM 167 O3' DG A 6 6.346 -5.500 1.394 1.00 0.00 O ATOM 168 C2' DG A 6 8.450 -4.626 0.887 1.00 0.00 C ATOM 169 C1' DG A 6 9.187 -5.195 2.122 1.00 0.00 C ATOM 170 N9 DG A 6 10.371 -4.403 2.460 1.00 0.00 N ATOM 171 C8 DG A 6 10.973 -3.575 1.578 1.00 0.00 C ATOM 172 N7 DG A 6 11.968 -2.909 2.032 1.00 0.00 N ATOM 173 C5 DG A 6 12.044 -3.325 3.338 1.00 0.00 C ATOM 174 C6 DG A 6 12.949 -2.919 4.300 1.00 0.00 C ATOM 175 O6 DG A 6 13.831 -2.104 4.101 1.00 0.00 O ATOM 176 N1 DG A 6 12.755 -3.526 5.515 1.00 0.00 N ATOM 177 C2 DG A 6 11.774 -4.442 5.774 1.00 0.00 C ATOM 178 N2 DG A 6 11.767 -4.908 7.035 1.00 0.00 N ATOM 179 N3 DG A 6 10.874 -4.858 4.854 1.00 0.00 N ATOM 180 C4 DG A 6 11.069 -4.254 3.653 1.00 0.00 C ATOM 0 H5' DG A 6 9.303 -8.672 -0.004 1.00 0.00 H new ATOM 0 H5'' DG A 6 7.844 -8.165 -0.832 1.00 0.00 H new ATOM 0 H4' DG A 6 7.810 -7.616 1.464 1.00 0.00 H new ATOM 0 H3' DG A 6 7.051 -5.794 -0.456 1.00 0.00 H new ATOM 0 H2' DG A 6 9.137 -4.422 0.066 1.00 0.00 H new ATOM 0 H2'' DG A 6 7.941 -3.690 1.117 1.00 0.00 H new ATOM 0 H1' DG A 6 8.642 -5.252 3.064 1.00 0.00 H new ATOM 0 H8 DG A 6 10.637 -3.481 0.556 1.00 0.00 H new ATOM 0 H1 DG A 6 13.386 -3.277 6.277 1.00 0.00 H new ATOM 0 H21 DG A 6 11.070 -5.596 7.321 1.00 0.00 H new ATOM 0 H22 DG A 6 12.459 -4.574 7.706 1.00 0.00 H new ATOM 192 P DG A 7 5.465 -6.664 2.060 1.00 0.00 P ATOM 193 OP1 DG A 7 5.338 -7.777 1.086 1.00 0.00 O ATOM 194 OP2 DG A 7 4.244 -6.051 2.641 1.00 0.00 O ATOM 195 O5' DG A 7 6.448 -7.136 3.239 1.00 0.00 O ATOM 196 C5' DG A 7 6.078 -7.463 4.580 1.00 0.00 C ATOM 197 C4' DG A 7 6.069 -6.242 5.488 1.00 0.00 C ATOM 198 O4' DG A 7 7.346 -5.558 5.451 1.00 0.00 O ATOM 199 C3' DG A 7 5.015 -5.133 5.227 1.00 0.00 C ATOM 200 O3' DG A 7 4.407 -4.553 6.387 1.00 0.00 O ATOM 201 C2' DG A 7 5.956 -4.077 4.670 1.00 0.00 C ATOM 202 C1' DG A 7 7.081 -4.174 5.720 1.00 0.00 C ATOM 203 N9 DG A 7 8.153 -3.240 5.358 1.00 0.00 N ATOM 204 C8 DG A 7 8.365 -2.730 4.109 1.00 0.00 C ATOM 205 N7 DG A 7 9.334 -1.879 4.055 1.00 0.00 N ATOM 206 C5 DG A 7 9.811 -1.804 5.333 1.00 0.00 C ATOM 207 C6 DG A 7 10.867 -1.022 5.817 1.00 0.00 C ATOM 208 O6 DG A 7 11.541 -0.252 5.143 1.00 0.00 O ATOM 209 N1 DG A 7 11.070 -1.208 7.167 1.00 0.00 N ATOM 210 C2 DG A 7 10.316 -2.061 7.942 1.00 0.00 C ATOM 211 N2 DG A 7 10.640 -2.135 9.231 1.00 0.00 N ATOM 212 N3 DG A 7 9.300 -2.815 7.493 1.00 0.00 N ATOM 213 C4 DG A 7 9.102 -2.636 6.175 1.00 0.00 C ATOM 0 H5' DG A 7 6.773 -8.203 4.976 1.00 0.00 H new ATOM 0 H5'' DG A 7 5.089 -7.921 4.581 1.00 0.00 H new ATOM 0 H4' DG A 7 5.818 -6.706 6.442 1.00 0.00 H new ATOM 0 H3' DG A 7 4.175 -5.503 4.639 1.00 0.00 H new ATOM 0 H2' DG A 7 6.300 -4.310 3.662 1.00 0.00 H new ATOM 0 H2'' DG A 7 5.501 -3.087 4.631 1.00 0.00 H new ATOM 0 H1' DG A 7 6.907 -3.925 6.767 1.00 0.00 H new ATOM 0 H8 DG A 7 7.777 -3.012 3.248 1.00 0.00 H new ATOM 0 H1 DG A 7 11.821 -0.685 7.618 1.00 0.00 H new ATOM 0 H21 DG A 7 10.117 -2.750 9.854 1.00 0.00 H new ATOM 0 H22 DG A 7 11.412 -1.577 9.596 1.00 0.00 H new ATOM 225 P DT A 8 3.800 -5.401 7.605 1.00 0.00 P ATOM 226 OP1 DT A 8 3.302 -6.699 7.079 1.00 0.00 O ATOM 227 OP2 DT A 8 2.880 -4.519 8.367 1.00 0.00 O ATOM 228 O5' DT A 8 5.121 -5.686 8.470 1.00 0.00 O ATOM 229 C5' DT A 8 5.209 -5.803 9.892 1.00 0.00 C ATOM 230 C4' DT A 8 5.405 -4.447 10.549 1.00 0.00 C ATOM 231 O4' DT A 8 6.528 -3.755 9.993 1.00 0.00 O ATOM 232 C3' DT A 8 4.303 -3.431 10.527 1.00 0.00 C ATOM 233 O3' DT A 8 3.150 -3.801 11.253 1.00 0.00 O ATOM 234 C2' DT A 8 5.070 -2.269 11.148 1.00 0.00 C ATOM 235 C1' DT A 8 6.477 -2.415 10.522 1.00 0.00 C ATOM 236 N1 DT A 8 6.719 -1.452 9.447 1.00 0.00 N ATOM 237 C2 DT A 8 7.787 -0.577 9.478 1.00 0.00 C ATOM 238 O2 DT A 8 8.606 -0.559 10.397 1.00 0.00 O ATOM 239 N3 DT A 8 7.860 0.284 8.396 1.00 0.00 N ATOM 240 C4 DT A 8 7.000 0.357 7.329 1.00 0.00 C ATOM 241 O4 DT A 8 7.175 1.170 6.423 1.00 0.00 O ATOM 242 C5 DT A 8 5.928 -0.592 7.398 1.00 0.00 C ATOM 243 C7 DT A 8 4.852 -0.665 6.376 1.00 0.00 C ATOM 244 C6 DT A 8 5.848 -1.422 8.416 1.00 0.00 C ATOM 0 H5' DT A 8 6.039 -6.459 10.154 1.00 0.00 H new ATOM 0 H5'' DT A 8 4.301 -6.268 10.277 1.00 0.00 H new ATOM 0 H4' DT A 8 5.503 -4.779 11.582 1.00 0.00 H new ATOM 0 H3' DT A 8 3.862 -3.245 9.548 1.00 0.00 H new ATOM 0 H2' DT A 8 4.616 -1.308 10.904 1.00 0.00 H new ATOM 0 H2'' DT A 8 5.101 -2.340 12.235 1.00 0.00 H new ATOM 0 HO3' DT A 8 2.522 -4.260 10.657 1.00 0.00 H new ATOM 0 H1' DT A 8 7.242 -2.224 11.274 1.00 0.00 H new ATOM 0 H3 DT A 8 8.642 0.939 8.391 1.00 0.00 H new ATOM 0 H71 DT A 8 4.491 -1.691 6.300 1.00 0.00 H new ATOM 0 H72 DT A 8 4.029 -0.012 6.667 1.00 0.00 H new ATOM 0 H73 DT A 8 5.245 -0.346 5.411 1.00 0.00 H new ATOM 0 H6 DT A 8 5.030 -2.127 8.427 1.00 0.00 H new TER 258 DT A 8 ATOM 259 O5' DG B 1 9.086 6.579 12.506 1.00 0.00 O ATOM 260 C5' DG B 1 10.248 5.858 12.092 1.00 0.00 C ATOM 261 C4' DG B 1 10.242 5.475 10.624 1.00 0.00 C ATOM 262 O4' DG B 1 9.094 4.663 10.278 1.00 0.00 O ATOM 263 C3' DG B 1 10.201 6.574 9.555 1.00 0.00 C ATOM 264 O3' DG B 1 11.376 7.375 9.439 1.00 0.00 O ATOM 265 C2' DG B 1 10.017 5.641 8.369 1.00 0.00 C ATOM 266 C1' DG B 1 8.800 4.832 8.866 1.00 0.00 C ATOM 267 N9 DG B 1 7.451 5.420 8.705 1.00 0.00 N ATOM 268 C8 DG B 1 6.461 4.980 7.862 1.00 0.00 C ATOM 269 N7 DG B 1 5.355 5.671 7.940 1.00 0.00 N ATOM 270 C5 DG B 1 5.625 6.636 8.895 1.00 0.00 C ATOM 271 C6 DG B 1 4.801 7.677 9.404 1.00 0.00 C ATOM 272 O6 DG B 1 3.642 7.942 9.093 1.00 0.00 O ATOM 273 N1 DG B 1 5.456 8.431 10.359 1.00 0.00 N ATOM 274 C2 DG B 1 6.744 8.216 10.773 1.00 0.00 C ATOM 275 N2 DG B 1 7.246 9.041 11.696 1.00 0.00 N ATOM 276 N3 DG B 1 7.527 7.244 10.305 1.00 0.00 N ATOM 277 C4 DG B 1 6.913 6.496 9.376 1.00 0.00 C ATOM 0 H5' DG B 1 10.336 4.953 12.693 1.00 0.00 H new ATOM 0 H5'' DG B 1 11.131 6.463 12.296 1.00 0.00 H new ATOM 0 H4' DG B 1 11.216 4.987 10.586 1.00 0.00 H new ATOM 0 H3' DG B 1 9.460 7.356 9.722 1.00 0.00 H new ATOM 0 H2' DG B 1 9.813 6.177 7.442 1.00 0.00 H new ATOM 0 H2'' DG B 1 10.891 5.015 8.189 1.00 0.00 H new ATOM 0 HO5' DG B 1 8.546 6.808 11.721 1.00 0.00 H new ATOM 0 H1' DG B 1 8.711 3.931 8.260 1.00 0.00 H new ATOM 0 H8 DG B 1 6.585 4.139 7.195 1.00 0.00 H new ATOM 0 H1 DG B 1 4.944 9.203 10.786 1.00 0.00 H new ATOM 0 H21 DG B 1 8.201 8.913 12.029 1.00 0.00 H new ATOM 0 H22 DG B 1 6.674 9.799 12.067 1.00 0.00 H new ATOM 290 P DA B 2 11.623 8.676 10.360 1.00 0.00 P ATOM 291 OP1 DA B 2 10.434 8.869 11.232 1.00 0.00 O ATOM 292 OP2 DA B 2 12.060 9.783 9.473 1.00 0.00 O ATOM 293 O5' DA B 2 12.866 8.292 11.304 1.00 0.00 O ATOM 294 C5' DA B 2 14.174 8.052 10.774 1.00 0.00 C ATOM 295 C4' DA B 2 14.492 6.579 10.863 1.00 0.00 C ATOM 296 O4' DA B 2 13.538 5.845 10.125 1.00 0.00 O ATOM 297 C3' DA B 2 15.806 6.093 10.244 1.00 0.00 C ATOM 298 O3' DA B 2 16.936 6.041 11.131 1.00 0.00 O ATOM 299 C2' DA B 2 15.479 4.705 9.710 1.00 0.00 C ATOM 300 C1' DA B 2 14.042 4.507 10.140 1.00 0.00 C ATOM 301 N9 DA B 2 13.160 3.919 9.151 1.00 0.00 N ATOM 302 C8 DA B 2 13.021 4.335 7.853 1.00 0.00 C ATOM 303 N7 DA B 2 12.100 3.678 7.211 1.00 0.00 N ATOM 304 C5 DA B 2 11.608 2.781 8.132 1.00 0.00 C ATOM 305 C6 DA B 2 10.616 1.823 8.039 1.00 0.00 C ATOM 306 N6 DA B 2 9.911 1.670 6.910 1.00 0.00 N ATOM 307 N1 DA B 2 10.372 1.095 9.131 1.00 0.00 N ATOM 308 C2 DA B 2 11.068 1.309 10.254 1.00 0.00 C ATOM 309 N3 DA B 2 12.037 2.203 10.463 1.00 0.00 N ATOM 310 C4 DA B 2 12.252 2.910 9.341 1.00 0.00 C ATOM 0 H5' DA B 2 14.914 8.629 11.329 1.00 0.00 H new ATOM 0 H5'' DA B 2 14.224 8.383 9.737 1.00 0.00 H new ATOM 0 H4' DA B 2 14.523 6.427 11.942 1.00 0.00 H new ATOM 0 H3' DA B 2 16.130 6.806 9.486 1.00 0.00 H new ATOM 0 H2' DA B 2 15.587 4.653 8.627 1.00 0.00 H new ATOM 0 H2'' DA B 2 16.136 3.945 10.133 1.00 0.00 H new ATOM 0 H1' DA B 2 14.052 3.896 11.043 1.00 0.00 H new ATOM 0 H8 DA B 2 13.612 5.123 7.411 1.00 0.00 H new ATOM 0 H61 DA B 2 9.182 0.959 6.856 1.00 0.00 H new ATOM 0 H62 DA B 2 10.103 2.265 6.104 1.00 0.00 H new ATOM 0 H2 DA B 2 10.814 0.681 11.095 1.00 0.00 H new ATOM 322 P DG B 3 16.906 5.528 12.672 1.00 0.00 P ATOM 323 OP1 DG B 3 15.959 6.390 13.423 1.00 0.00 O ATOM 324 OP2 DG B 3 18.316 5.437 13.130 1.00 0.00 O ATOM 325 O5' DG B 3 16.307 4.033 12.668 1.00 0.00 O ATOM 326 C5' DG B 3 16.227 3.202 13.844 1.00 0.00 C ATOM 327 C4' DG B 3 16.247 1.735 13.434 1.00 0.00 C ATOM 328 O4' DG B 3 15.187 1.488 12.522 1.00 0.00 O ATOM 329 C3' DG B 3 17.458 1.396 12.584 1.00 0.00 C ATOM 330 O3' DG B 3 18.677 1.228 13.318 1.00 0.00 O ATOM 331 C2' DG B 3 16.989 0.152 11.854 1.00 0.00 C ATOM 332 C1' DG B 3 15.469 0.165 12.057 1.00 0.00 C ATOM 333 N9 DG B 3 14.711 0.054 10.827 1.00 0.00 N ATOM 334 C8 DG B 3 13.598 -0.676 10.557 1.00 0.00 C ATOM 335 N7 DG B 3 13.143 -0.503 9.344 1.00 0.00 N ATOM 336 C5 DG B 3 14.032 0.402 8.791 1.00 0.00 C ATOM 337 C6 DG B 3 14.078 0.977 7.510 1.00 0.00 C ATOM 338 O6 DG B 3 13.282 0.772 6.604 1.00 0.00 O ATOM 339 N1 DG B 3 15.159 1.842 7.376 1.00 0.00 N ATOM 340 C2 DG B 3 16.070 2.102 8.370 1.00 0.00 C ATOM 341 N2 DG B 3 17.088 2.921 8.134 1.00 0.00 N ATOM 342 N3 DG B 3 16.030 1.571 9.572 1.00 0.00 N ATOM 343 C4 DG B 3 14.997 0.742 9.705 1.00 0.00 C ATOM 0 H5' DG B 3 15.314 3.423 14.397 1.00 0.00 H new ATOM 0 H5'' DG B 3 17.063 3.415 14.510 1.00 0.00 H new ATOM 0 H4' DG B 3 16.209 1.170 14.366 1.00 0.00 H new ATOM 0 H3' DG B 3 17.748 2.205 11.914 1.00 0.00 H new ATOM 0 H2' DG B 3 17.252 0.184 10.797 1.00 0.00 H new ATOM 0 H2'' DG B 3 17.441 -0.750 12.268 1.00 0.00 H new ATOM 0 H1' DG B 3 15.200 -0.667 12.707 1.00 0.00 H new ATOM 0 H8 DG B 3 13.134 -1.336 11.275 1.00 0.00 H new ATOM 0 H1 DG B 3 15.283 2.314 6.480 1.00 0.00 H new ATOM 0 H21 DG B 3 17.767 3.116 8.870 1.00 0.00 H new ATOM 0 H22 DG B 3 17.191 3.355 7.217 1.00 0.00 H new ATOM 355 P DC B 4 18.789 0.214 14.561 1.00 0.00 P ATOM 356 OP1 DC B 4 17.803 0.606 15.602 1.00 0.00 O ATOM 357 OP2 DC B 4 20.222 0.071 14.919 1.00 0.00 O ATOM 358 O5' DC B 4 18.295 -1.129 13.854 1.00 0.00 O ATOM 359 C5' DC B 4 17.440 -2.125 14.404 1.00 0.00 C ATOM 360 C4' DC B 4 16.996 -3.072 13.299 1.00 0.00 C ATOM 361 O4' DC B 4 16.088 -2.546 12.293 1.00 0.00 O ATOM 362 C3' DC B 4 18.146 -3.483 12.376 1.00 0.00 C ATOM 363 O3' DC B 4 19.307 -4.219 12.764 1.00 0.00 O ATOM 364 C2' DC B 4 17.451 -3.993 11.128 1.00 0.00 C ATOM 365 C1' DC B 4 15.988 -3.510 11.211 1.00 0.00 C ATOM 366 N1 DC B 4 15.689 -2.936 9.881 1.00 0.00 N ATOM 367 C2 DC B 4 14.647 -3.379 9.042 1.00 0.00 C ATOM 368 O2 DC B 4 13.839 -4.256 9.353 1.00 0.00 O ATOM 369 N3 DC B 4 14.531 -2.803 7.822 1.00 0.00 N ATOM 370 C4 DC B 4 15.381 -1.846 7.433 1.00 0.00 C ATOM 371 N4 DC B 4 15.237 -1.305 6.227 1.00 0.00 N ATOM 372 C5 DC B 4 16.423 -1.400 8.272 1.00 0.00 C ATOM 373 C6 DC B 4 16.533 -1.957 9.460 1.00 0.00 C ATOM 0 H5' DC B 4 16.572 -1.659 14.870 1.00 0.00 H new ATOM 0 H5'' DC B 4 17.962 -2.678 15.185 1.00 0.00 H new ATOM 0 H4' DC B 4 16.542 -3.848 13.916 1.00 0.00 H new ATOM 0 H3' DC B 4 18.757 -2.584 12.296 1.00 0.00 H new ATOM 0 H2' DC B 4 17.936 -3.609 10.230 1.00 0.00 H new ATOM 0 H2'' DC B 4 17.498 -5.081 11.075 1.00 0.00 H new ATOM 0 H1' DC B 4 15.194 -4.229 11.414 1.00 0.00 H new ATOM 0 H41 DC B 4 15.877 -0.574 5.916 1.00 0.00 H new ATOM 0 H42 DC B 4 14.486 -1.621 5.613 1.00 0.00 H new ATOM 0 H5 DC B 4 17.107 -0.628 7.951 1.00 0.00 H new ATOM 0 H6 DC B 4 17.319 -1.625 10.122 1.00 0.00 H new ATOM 385 P DA B 5 20.776 -3.530 12.863 1.00 0.00 P ATOM 386 OP1 DA B 5 21.727 -4.616 13.210 1.00 0.00 O ATOM 387 OP2 DA B 5 20.677 -2.361 13.768 1.00 0.00 O ATOM 388 O5' DA B 5 21.221 -2.980 11.404 1.00 0.00 O ATOM 389 C5' DA B 5 20.550 -2.008 10.577 1.00 0.00 C ATOM 390 C4' DA B 5 21.160 -1.994 9.181 1.00 0.00 C ATOM 391 O4' DA B 5 21.436 -3.339 8.770 1.00 0.00 O ATOM 392 C3' DA B 5 20.422 -1.379 8.012 1.00 0.00 C ATOM 393 O3' DA B 5 21.151 -1.114 6.798 1.00 0.00 O ATOM 394 C2' DA B 5 19.497 -2.512 7.693 1.00 0.00 C ATOM 395 C1' DA B 5 20.415 -3.714 7.838 1.00 0.00 C ATOM 396 N9 DA B 5 19.622 -4.837 8.343 1.00 0.00 N ATOM 397 C8 DA B 5 19.804 -5.645 9.436 1.00 0.00 C ATOM 398 N7 DA B 5 18.865 -6.556 9.568 1.00 0.00 N ATOM 399 C5 DA B 5 18.018 -6.318 8.491 1.00 0.00 C ATOM 400 C6 DA B 5 16.830 -6.920 8.041 1.00 0.00 C ATOM 401 N6 DA B 5 16.244 -7.955 8.650 1.00 0.00 N ATOM 402 N1 DA B 5 16.264 -6.414 6.930 1.00 0.00 N ATOM 403 C2 DA B 5 16.848 -5.376 6.312 1.00 0.00 C ATOM 404 N3 DA B 5 17.955 -4.737 6.640 1.00 0.00 N ATOM 405 C4 DA B 5 18.484 -5.267 7.744 1.00 0.00 C ATOM 0 H5' DA B 5 20.631 -1.019 11.027 1.00 0.00 H new ATOM 0 H5'' DA B 5 19.488 -2.244 10.515 1.00 0.00 H new ATOM 0 H4' DA B 5 22.009 -1.333 9.356 1.00 0.00 H new ATOM 0 H3' DA B 5 20.045 -0.397 8.296 1.00 0.00 H new ATOM 0 H2' DA B 5 18.653 -2.557 8.381 1.00 0.00 H new ATOM 0 H2'' DA B 5 19.084 -2.432 6.687 1.00 0.00 H new ATOM 0 H1' DA B 5 20.869 -4.014 6.894 1.00 0.00 H new ATOM 0 H8 DA B 5 20.634 -5.543 10.119 1.00 0.00 H new ATOM 0 H61 DA B 5 15.381 -8.347 8.273 1.00 0.00 H new ATOM 0 H62 DA B 5 16.659 -8.353 9.492 1.00 0.00 H new ATOM 0 H2 DA B 5 16.344 -5.015 5.427 1.00 0.00 H new ATOM 417 P DG B 6 22.737 -1.196 6.497 1.00 0.00 P ATOM 418 OP1 DG B 6 22.898 -1.123 5.021 1.00 0.00 O ATOM 419 OP2 DG B 6 23.317 -2.355 7.220 1.00 0.00 O ATOM 420 O5' DG B 6 23.370 0.137 7.138 1.00 0.00 O ATOM 421 C5' DG B 6 23.887 1.207 6.338 1.00 0.00 C ATOM 422 C4' DG B 6 22.801 2.189 5.953 1.00 0.00 C ATOM 423 O4' DG B 6 21.734 1.514 5.261 1.00 0.00 O ATOM 424 C3' DG B 6 22.129 2.960 7.108 1.00 0.00 C ATOM 425 O3' DG B 6 21.980 4.379 6.964 1.00 0.00 O ATOM 426 C2' DG B 6 20.750 2.396 6.988 1.00 0.00 C ATOM 427 C1' DG B 6 20.550 2.286 5.459 1.00 0.00 C ATOM 428 N9 DG B 6 19.361 1.500 5.122 1.00 0.00 N ATOM 429 C8 DG B 6 18.784 0.641 5.991 1.00 0.00 C ATOM 430 N7 DG B 6 17.720 0.060 5.572 1.00 0.00 N ATOM 431 C5 DG B 6 17.566 0.578 4.310 1.00 0.00 C ATOM 432 C6 DG B 6 16.565 0.292 3.400 1.00 0.00 C ATOM 433 O6 DG B 6 15.653 -0.486 3.612 1.00 0.00 O ATOM 434 N1 DG B 6 16.697 0.980 2.220 1.00 0.00 N ATOM 435 C2 DG B 6 17.706 1.863 1.947 1.00 0.00 C ATOM 436 N2 DG B 6 17.638 2.424 0.729 1.00 0.00 N ATOM 437 N3 DG B 6 18.696 2.162 2.818 1.00 0.00 N ATOM 438 C4 DG B 6 18.562 1.479 3.984 1.00 0.00 C ATOM 0 H5' DG B 6 24.346 0.800 5.437 1.00 0.00 H new ATOM 0 H5'' DG B 6 24.671 1.728 6.888 1.00 0.00 H new ATOM 0 H4' DG B 6 23.339 2.913 5.341 1.00 0.00 H new ATOM 0 H3' DG B 6 22.711 2.849 8.023 1.00 0.00 H new ATOM 0 H2' DG B 6 20.667 1.425 7.477 1.00 0.00 H new ATOM 0 H2'' DG B 6 20.006 3.048 7.446 1.00 0.00 H new ATOM 0 H1' DG B 6 20.415 3.207 4.892 1.00 0.00 H new ATOM 0 H8 DG B 6 19.192 0.456 6.974 1.00 0.00 H new ATOM 0 H1 DG B 6 15.995 0.822 1.497 1.00 0.00 H new ATOM 0 H21 DG B 6 18.348 3.096 0.436 1.00 0.00 H new ATOM 0 H22 DG B 6 16.877 2.179 0.096 1.00 0.00 H new ATOM 450 P DG B 7 23.018 5.343 6.212 1.00 0.00 P ATOM 451 OP1 DG B 7 24.397 4.871 6.500 1.00 0.00 O ATOM 452 OP2 DG B 7 22.647 6.751 6.507 1.00 0.00 O ATOM 453 O5' DG B 7 22.678 5.002 4.680 1.00 0.00 O ATOM 454 C5' DG B 7 22.574 5.933 3.601 1.00 0.00 C ATOM 455 C4' DG B 7 21.170 6.505 3.469 1.00 0.00 C ATOM 456 O4' DG B 7 20.187 5.447 3.343 1.00 0.00 O ATOM 457 C3' DG B 7 20.631 7.415 4.606 1.00 0.00 C ATOM 458 O3' DG B 7 19.878 8.562 4.193 1.00 0.00 O ATOM 459 C2' DG B 7 19.626 6.440 5.197 1.00 0.00 C ATOM 460 C1' DG B 7 18.963 5.954 3.892 1.00 0.00 C ATOM 461 N9 DG B 7 17.949 4.944 4.220 1.00 0.00 N ATOM 462 C8 DG B 7 17.909 4.214 5.375 1.00 0.00 C ATOM 463 N7 DG B 7 16.885 3.435 5.459 1.00 0.00 N ATOM 464 C5 DG B 7 16.187 3.640 4.302 1.00 0.00 C ATOM 465 C6 DG B 7 14.992 3.035 3.894 1.00 0.00 C ATOM 466 O6 DG B 7 14.363 2.204 4.541 1.00 0.00 O ATOM 467 N1 DG B 7 14.581 3.486 2.659 1.00 0.00 N ATOM 468 C2 DG B 7 15.269 4.423 1.921 1.00 0.00 C ATOM 469 N2 DG B 7 14.746 4.751 0.741 1.00 0.00 N ATOM 470 N3 DG B 7 16.413 5.013 2.300 1.00 0.00 N ATOM 471 C4 DG B 7 16.817 4.572 3.505 1.00 0.00 C ATOM 0 H5' DG B 7 22.853 5.440 2.670 1.00 0.00 H new ATOM 0 H5'' DG B 7 23.283 6.746 3.756 1.00 0.00 H new ATOM 0 H4' DG B 7 21.294 7.132 2.586 1.00 0.00 H new ATOM 0 H3' DG B 7 21.438 7.825 5.213 1.00 0.00 H new ATOM 0 H2' DG B 7 20.101 5.632 5.754 1.00 0.00 H new ATOM 0 H2'' DG B 7 18.920 6.922 5.874 1.00 0.00 H new ATOM 0 H1' DG B 7 18.407 6.635 3.248 1.00 0.00 H new ATOM 0 H8 DG B 7 18.664 4.283 6.144 1.00 0.00 H new ATOM 0 H1 DG B 7 13.719 3.105 2.269 1.00 0.00 H new ATOM 0 H21 DG B 7 15.212 5.440 0.150 1.00 0.00 H new ATOM 0 H22 DG B 7 13.880 4.313 0.428 1.00 0.00 H new ATOM 483 P DT B 8 20.348 9.586 3.052 1.00 0.00 P ATOM 484 OP1 DT B 8 21.833 9.630 3.036 1.00 0.00 O ATOM 485 OP2 DT B 8 19.581 10.846 3.218 1.00 0.00 O ATOM 486 O5' DT B 8 19.857 8.819 1.731 1.00 0.00 O ATOM 487 C5' DT B 8 19.395 9.412 0.516 1.00 0.00 C ATOM 488 C4' DT B 8 17.905 9.699 0.569 1.00 0.00 C ATOM 489 O4' DT B 8 17.158 8.528 0.917 1.00 0.00 O ATOM 490 C3' DT B 8 17.371 10.757 1.490 1.00 0.00 C ATOM 491 O3' DT B 8 17.781 12.068 1.173 1.00 0.00 O ATOM 492 C2' DT B 8 15.884 10.509 1.263 1.00 0.00 C ATOM 493 C1' DT B 8 15.808 8.967 1.158 1.00 0.00 C ATOM 494 N1 DT B 8 15.298 8.342 2.380 1.00 0.00 N ATOM 495 C2 DT B 8 14.190 7.519 2.369 1.00 0.00 C ATOM 496 O2 DT B 8 13.570 7.249 1.341 1.00 0.00 O ATOM 497 N3 DT B 8 13.825 7.029 3.612 1.00 0.00 N ATOM 498 C4 DT B 8 14.433 7.274 4.817 1.00 0.00 C ATOM 499 O4 DT B 8 14.010 6.773 5.859 1.00 0.00 O ATOM 500 C5 DT B 8 15.570 8.141 4.714 1.00 0.00 C ATOM 501 C7 DT B 8 16.355 8.580 5.896 1.00 0.00 C ATOM 502 C6 DT B 8 15.933 8.610 3.539 1.00 0.00 C ATOM 0 H5' DT B 8 19.609 8.746 -0.320 1.00 0.00 H new ATOM 0 H5'' DT B 8 19.939 10.339 0.332 1.00 0.00 H new ATOM 0 H4' DT B 8 17.777 10.072 -0.447 1.00 0.00 H new ATOM 0 H3' DT B 8 17.715 10.692 2.522 1.00 0.00 H new ATOM 0 H2' DT B 8 15.280 10.889 2.087 1.00 0.00 H new ATOM 0 H2'' DT B 8 15.527 10.995 0.355 1.00 0.00 H new ATOM 0 HO3' DT B 8 18.566 12.304 1.710 1.00 0.00 H new ATOM 0 H1' DT B 8 15.118 8.681 0.364 1.00 0.00 H new ATOM 0 H3 DT B 8 13.010 6.415 3.634 1.00 0.00 H new ATOM 0 H71 DT B 8 17.391 8.750 5.602 1.00 0.00 H new ATOM 0 H72 DT B 8 15.933 9.505 6.290 1.00 0.00 H new ATOM 0 H73 DT B 8 16.318 7.808 6.665 1.00 0.00 H new ATOM 0 H6 DT B 8 16.799 9.254 3.500 1.00 0.00 H new TER 516 DT B 8