USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 187 hydrogens (15 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -0.312 (180deg=-3.67!) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= -1.02 (180deg=-2.11!) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.0393 (180deg=-0.0393) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 P DG A 1 10.273 5.236 -6.245 1.00 8.00 P ATOM 2 OP1 DG A 1 11.706 4.886 -6.415 1.00 8.00 O ATOM 3 OP2 DG A 1 9.621 6.187 -7.169 1.00 8.00 O ATOM 4 O5' DG A 1 9.410 3.868 -6.271 1.00 8.00 O ATOM 5 C5' DG A 1 9.790 2.684 -5.581 1.00 8.00 C ATOM 6 C4' DG A 1 9.649 2.851 -4.070 1.00 8.00 C ATOM 7 O4' DG A 1 8.321 3.187 -3.695 1.00 8.00 O ATOM 8 C3' DG A 1 10.026 1.601 -3.261 1.00 8.00 C ATOM 9 O3' DG A 1 11.217 1.883 -2.543 1.00 8.00 O ATOM 10 C2' DG A 1 8.828 1.451 -2.323 1.00 8.00 C ATOM 11 C1' DG A 1 8.265 2.860 -2.331 1.00 8.00 C ATOM 12 N9 DG A 1 6.941 2.961 -1.691 1.00 8.00 N ATOM 13 C8 DG A 1 6.700 3.430 -0.423 1.00 8.00 C ATOM 14 N7 DG A 1 5.444 3.479 -0.079 1.00 8.00 N ATOM 15 C5 DG A 1 4.827 2.942 -1.203 1.00 8.00 C ATOM 16 C6 DG A 1 3.428 2.669 -1.416 1.00 8.00 C ATOM 17 O6 DG A 1 2.478 2.913 -0.667 1.00 8.00 O ATOM 18 N1 DG A 1 3.150 2.012 -2.604 1.00 8.00 N ATOM 19 C2 DG A 1 4.107 1.651 -3.505 1.00 8.00 C ATOM 20 N2 DG A 1 3.711 0.990 -4.569 1.00 8.00 N ATOM 21 N3 DG A 1 5.411 1.925 -3.358 1.00 8.00 N ATOM 22 C4 DG A 1 5.713 2.567 -2.185 1.00 8.00 C ATOM 0 H5' DG A 1 10.822 2.433 -5.826 1.00 8.00 H new ATOM 0 H5'' DG A 1 9.172 1.851 -5.916 1.00 8.00 H new ATOM 0 H4' DG A 1 10.348 3.654 -3.837 1.00 8.00 H new ATOM 0 H3' DG A 1 10.213 0.700 -3.845 1.00 8.00 H new ATOM 0 H2' DG A 1 8.108 0.719 -2.689 1.00 8.00 H new ATOM 0 H2'' DG A 1 9.126 1.133 -1.324 1.00 8.00 H new ATOM 0 H1' DG A 1 8.821 3.575 -1.724 1.00 8.00 H new ATOM 0 H8 DG A 1 7.494 3.736 0.241 1.00 8.00 H new ATOM 0 H1 DG A 1 2.178 1.787 -2.815 1.00 8.00 H new ATOM 0 H21 DG A 1 4.391 0.699 -5.271 1.00 8.00 H new ATOM 0 H22 DG A 1 2.723 0.768 -4.693 1.00 8.00 H new ATOM 34 P DG A 2 12.044 0.746 -1.755 1.00 8.00 P ATOM 35 OP1 DG A 2 13.389 1.302 -1.487 1.00 8.00 O ATOM 36 OP2 DG A 2 11.901 -0.511 -2.515 1.00 8.00 O ATOM 37 O5' DG A 2 11.247 0.610 -0.355 1.00 8.00 O ATOM 38 C5' DG A 2 11.272 1.647 0.614 1.00 8.00 C ATOM 39 C4' DG A 2 10.577 1.261 1.923 1.00 8.00 C ATOM 40 O4' DG A 2 9.166 1.410 1.829 1.00 8.00 O ATOM 41 C3' DG A 2 10.879 -0.177 2.348 1.00 8.00 C ATOM 42 O3' DG A 2 11.044 -0.176 3.757 1.00 8.00 O ATOM 43 C2' DG A 2 9.611 -0.912 1.939 1.00 8.00 C ATOM 44 C1' DG A 2 8.548 0.177 2.153 1.00 8.00 C ATOM 45 N9 DG A 2 7.305 0.096 1.367 1.00 8.00 N ATOM 46 C8 DG A 2 7.117 -0.451 0.131 1.00 8.00 C ATOM 47 N7 DG A 2 5.884 -0.474 -0.298 1.00 8.00 N ATOM 48 C5 DG A 2 5.215 0.139 0.756 1.00 8.00 C ATOM 49 C6 DG A 2 3.799 0.323 0.948 1.00 8.00 C ATOM 50 O6 DG A 2 2.874 -0.017 0.200 1.00 8.00 O ATOM 51 N1 DG A 2 3.473 0.916 2.161 1.00 8.00 N ATOM 52 C2 DG A 2 4.390 1.278 3.105 1.00 8.00 C ATOM 53 N2 DG A 2 3.937 1.784 4.240 1.00 8.00 N ATOM 54 N3 DG A 2 5.711 1.112 2.959 1.00 8.00 N ATOM 55 C4 DG A 2 6.061 0.525 1.770 1.00 8.00 C ATOM 0 H5' DG A 2 10.791 2.534 0.201 1.00 8.00 H new ATOM 0 H5'' DG A 2 12.307 1.915 0.824 1.00 8.00 H new ATOM 0 H4' DG A 2 10.976 1.943 2.674 1.00 8.00 H new ATOM 0 H3' DG A 2 11.772 -0.624 1.912 1.00 8.00 H new ATOM 0 H2' DG A 2 9.649 -1.252 0.904 1.00 8.00 H new ATOM 0 H2'' DG A 2 9.428 -1.791 2.557 1.00 8.00 H new ATOM 0 H1' DG A 2 8.223 0.055 3.186 1.00 8.00 H new ATOM 0 H8 DG A 2 7.936 -0.840 -0.455 1.00 8.00 H new ATOM 0 H1 DG A 2 2.488 1.092 2.358 1.00 8.00 H new ATOM 0 H21 DG A 2 4.591 2.066 4.970 1.00 8.00 H new ATOM 0 H22 DG A 2 2.933 1.892 4.386 1.00 8.00 H new ATOM 67 P DT A 3 12.057 -1.188 4.489 1.00 8.00 P ATOM 68 OP1 DT A 3 12.013 -0.919 5.941 1.00 8.00 O ATOM 69 OP2 DT A 3 13.350 -1.167 3.772 1.00 8.00 O ATOM 70 O5' DT A 3 11.348 -2.599 4.222 1.00 8.00 O ATOM 71 C5' DT A 3 12.028 -3.815 4.458 1.00 8.00 C ATOM 72 C4' DT A 3 11.124 -5.000 4.143 1.00 8.00 C ATOM 73 O4' DT A 3 10.038 -5.040 5.045 1.00 8.00 O ATOM 74 C3' DT A 3 10.477 -4.953 2.763 1.00 8.00 C ATOM 75 O3' DT A 3 11.225 -5.619 1.771 1.00 8.00 O ATOM 76 C2' DT A 3 9.177 -5.705 2.995 1.00 8.00 C ATOM 77 C1' DT A 3 9.087 -5.924 4.508 1.00 8.00 C ATOM 78 N1 DT A 3 7.732 -5.729 5.094 1.00 8.00 N ATOM 79 C2 DT A 3 7.633 -5.618 6.493 1.00 8.00 C ATOM 80 O2 DT A 3 8.558 -5.743 7.278 1.00 8.00 O ATOM 81 N3 DT A 3 6.374 -5.430 7.007 1.00 8.00 N ATOM 82 C4 DT A 3 5.194 -5.482 6.295 1.00 8.00 C ATOM 83 O4 DT A 3 4.139 -5.341 6.902 1.00 8.00 O ATOM 84 C5 DT A 3 5.357 -5.747 4.870 1.00 8.00 C ATOM 85 C7 DT A 3 4.146 -5.938 3.983 1.00 8.00 C ATOM 86 C6 DT A 3 6.592 -5.862 4.322 1.00 8.00 C ATOM 0 H5' DT A 3 12.351 -3.862 5.498 1.00 8.00 H new ATOM 0 H5'' DT A 3 12.927 -3.862 3.843 1.00 8.00 H new ATOM 0 H4' DT A 3 11.787 -5.863 4.209 1.00 8.00 H new ATOM 0 H3' DT A 3 10.375 -3.930 2.400 1.00 8.00 H new ATOM 0 H2' DT A 3 8.324 -5.133 2.631 1.00 8.00 H new ATOM 0 H2'' DT A 3 9.174 -6.655 2.461 1.00 8.00 H new ATOM 0 H1' DT A 3 9.288 -6.967 4.753 1.00 8.00 H new ATOM 0 H3 DT A 3 6.305 -5.234 8.006 1.00 8.00 H new ATOM 0 H71 DT A 3 4.378 -5.601 2.973 1.00 8.00 H new ATOM 0 H72 DT A 3 3.875 -6.993 3.960 1.00 8.00 H new ATOM 0 H73 DT A 3 3.312 -5.358 4.377 1.00 8.00 H new ATOM 0 H6 DT A 3 6.687 -6.061 3.265 1.00 8.00 H new ATOM 99 P DT A 4 11.186 -5.122 0.237 1.00 8.00 P ATOM 100 OP1 DT A 4 11.963 -6.092 -0.562 1.00 8.00 O ATOM 101 OP2 DT A 4 11.524 -3.688 0.220 1.00 8.00 O ATOM 102 O5' DT A 4 9.630 -5.252 -0.175 1.00 8.00 O ATOM 103 C5' DT A 4 9.043 -6.509 -0.451 1.00 8.00 C ATOM 104 C4' DT A 4 7.555 -6.361 -0.780 1.00 8.00 C ATOM 105 O4' DT A 4 6.808 -5.791 0.276 1.00 8.00 O ATOM 106 C3' DT A 4 7.280 -5.547 -2.061 1.00 8.00 C ATOM 107 O3' DT A 4 6.277 -6.128 -2.877 1.00 8.00 O ATOM 108 C2' DT A 4 6.694 -4.294 -1.442 1.00 8.00 C ATOM 109 C1' DT A 4 5.863 -4.949 -0.352 1.00 8.00 C ATOM 110 N1 DT A 4 5.328 -3.983 0.616 1.00 8.00 N ATOM 111 C2 DT A 4 3.961 -3.699 0.608 1.00 8.00 C ATOM 112 O2 DT A 4 3.183 -4.091 -0.250 1.00 8.00 O ATOM 113 N3 DT A 4 3.499 -2.948 1.665 1.00 8.00 N ATOM 114 C4 DT A 4 4.252 -2.525 2.738 1.00 8.00 C ATOM 115 O4 DT A 4 3.681 -1.952 3.655 1.00 8.00 O ATOM 116 C5 DT A 4 5.685 -2.811 2.645 1.00 8.00 C ATOM 117 C7 DT A 4 6.576 -2.330 3.777 1.00 8.00 C ATOM 118 C6 DT A 4 6.174 -3.503 1.573 1.00 8.00 C ATOM 0 H5' DT A 4 9.165 -7.168 0.409 1.00 8.00 H new ATOM 0 H5'' DT A 4 9.559 -6.979 -1.288 1.00 8.00 H new ATOM 0 H4' DT A 4 7.229 -7.388 -0.942 1.00 8.00 H new ATOM 0 H3' DT A 4 8.159 -5.441 -2.697 1.00 8.00 H new ATOM 0 H2' DT A 4 7.455 -3.621 -1.047 1.00 8.00 H new ATOM 0 H2'' DT A 4 6.092 -3.717 -2.144 1.00 8.00 H new ATOM 0 H1' DT A 4 4.985 -5.457 -0.750 1.00 8.00 H new ATOM 0 H3 DT A 4 2.514 -2.682 1.653 1.00 8.00 H new ATOM 0 H71 DT A 4 6.153 -1.426 4.214 1.00 8.00 H new ATOM 0 H72 DT A 4 6.644 -3.105 4.541 1.00 8.00 H new ATOM 0 H73 DT A 4 7.572 -2.114 3.390 1.00 8.00 H new ATOM 0 H6 DT A 4 7.237 -3.671 1.483 1.00 8.00 H new ATOM 131 P DG A 5 6.567 -7.416 -3.799 1.00 8.00 P ATOM 132 OP1 DG A 5 6.473 -8.612 -2.935 1.00 8.00 O ATOM 133 OP2 DG A 5 7.795 -7.154 -4.577 1.00 8.00 O ATOM 134 O5' DG A 5 5.305 -7.394 -4.800 1.00 8.00 O ATOM 135 C5' DG A 5 5.143 -6.354 -5.748 1.00 8.00 C ATOM 136 C4' DG A 5 3.743 -6.409 -6.359 1.00 8.00 C ATOM 137 O4' DG A 5 2.804 -5.986 -5.379 1.00 8.00 O ATOM 138 C3' DG A 5 3.634 -5.442 -7.547 1.00 8.00 C ATOM 139 O3' DG A 5 2.866 -6.052 -8.575 1.00 8.00 O ATOM 140 C2' DG A 5 2.893 -4.273 -6.917 1.00 8.00 C ATOM 141 C1' DG A 5 1.962 -5.041 -5.991 1.00 8.00 C ATOM 142 N9 DG A 5 1.242 -4.222 -4.997 1.00 8.00 N ATOM 143 C8 DG A 5 -0.113 -4.247 -4.768 1.00 8.00 C ATOM 144 N7 DG A 5 -0.529 -3.475 -3.803 1.00 8.00 N ATOM 145 C5 DG A 5 0.666 -2.908 -3.359 1.00 8.00 C ATOM 146 C6 DG A 5 0.890 -2.005 -2.255 1.00 8.00 C ATOM 147 O6 DG A 5 0.056 -1.512 -1.487 1.00 8.00 O ATOM 148 N1 DG A 5 2.219 -1.661 -2.057 1.00 8.00 N ATOM 149 C2 DG A 5 3.237 -2.125 -2.835 1.00 8.00 C ATOM 150 N2 DG A 5 4.455 -1.712 -2.552 1.00 8.00 N ATOM 151 N3 DG A 5 3.064 -2.955 -3.874 1.00 8.00 N ATOM 152 C4 DG A 5 1.760 -3.332 -4.076 1.00 8.00 C ATOM 0 H5' DG A 5 5.894 -6.447 -6.533 1.00 8.00 H new ATOM 0 H5'' DG A 5 5.301 -5.388 -5.269 1.00 8.00 H new ATOM 0 H4' DG A 5 3.548 -7.428 -6.693 1.00 8.00 H new ATOM 0 H3' DG A 5 4.580 -5.155 -8.006 1.00 8.00 H new ATOM 0 H2' DG A 5 3.557 -3.597 -6.378 1.00 8.00 H new ATOM 0 H2'' DG A 5 2.354 -3.673 -7.651 1.00 8.00 H new ATOM 0 H1' DG A 5 1.142 -5.481 -6.558 1.00 8.00 H new ATOM 0 H8 DG A 5 -0.786 -4.863 -5.347 1.00 8.00 H new ATOM 0 H1 DG A 5 2.446 -1.028 -1.290 1.00 8.00 H new ATOM 0 H21 DG A 5 5.246 -2.035 -3.110 1.00 8.00 H new ATOM 0 H22 DG A 5 4.608 -1.069 -1.775 1.00 8.00 H new ATOM 164 P DG A 6 2.606 -5.345 -10.007 1.00 8.00 P ATOM 165 OP1 DG A 6 2.241 -6.404 -10.970 1.00 8.00 O ATOM 166 OP2 DG A 6 3.739 -4.438 -10.285 1.00 8.00 O ATOM 167 O5' DG A 6 1.294 -4.442 -9.736 1.00 8.00 O ATOM 168 C5' DG A 6 0.052 -5.052 -9.438 1.00 8.00 C ATOM 169 C4' DG A 6 -0.981 -4.064 -8.901 1.00 8.00 C ATOM 170 O4' DG A 6 -0.514 -3.419 -7.726 1.00 8.00 O ATOM 171 C3' DG A 6 -1.410 -2.982 -9.904 1.00 8.00 C ATOM 172 O3' DG A 6 -2.823 -3.047 -10.008 1.00 8.00 O ATOM 173 C2' DG A 6 -0.917 -1.705 -9.232 1.00 8.00 C ATOM 174 C1' DG A 6 -1.050 -2.114 -7.759 1.00 8.00 C ATOM 175 N9 DG A 6 -0.368 -1.240 -6.785 1.00 8.00 N ATOM 176 C8 DG A 6 0.956 -0.850 -6.699 1.00 8.00 C ATOM 177 N7 DG A 6 1.254 -0.159 -5.639 1.00 8.00 N ATOM 178 C5 DG A 6 0.017 -0.028 -5.020 1.00 8.00 C ATOM 179 C6 DG A 6 -0.314 0.668 -3.805 1.00 8.00 C ATOM 180 O6 DG A 6 0.450 1.247 -3.023 1.00 8.00 O ATOM 181 N1 DG A 6 -1.667 0.653 -3.502 1.00 8.00 N ATOM 182 C2 DG A 6 -2.597 -0.036 -4.223 1.00 8.00 C ATOM 183 N2 DG A 6 -3.831 -0.042 -3.760 1.00 8.00 N ATOM 184 N3 DG A 6 -2.310 -0.742 -5.331 1.00 8.00 N ATOM 185 C4 DG A 6 -0.988 -0.673 -5.694 1.00 8.00 C ATOM 0 H5' DG A 6 0.208 -5.842 -8.704 1.00 8.00 H new ATOM 0 H5'' DG A 6 -0.340 -5.526 -10.338 1.00 8.00 H new ATOM 0 H4' DG A 6 -1.855 -4.680 -8.688 1.00 8.00 H new ATOM 0 H3' DG A 6 -1.019 -3.069 -10.918 1.00 8.00 H new ATOM 0 H2' DG A 6 0.109 -1.459 -9.506 1.00 8.00 H new ATOM 0 H2'' DG A 6 -1.530 -0.839 -9.481 1.00 8.00 H new ATOM 0 H1' DG A 6 -2.092 -2.040 -7.449 1.00 8.00 H new ATOM 0 H8 DG A 6 1.686 -1.100 -7.454 1.00 8.00 H new ATOM 0 H1 DG A 6 -1.985 1.188 -2.694 1.00 8.00 H new ATOM 0 H21 DG A 6 -4.562 -0.543 -4.264 1.00 8.00 H new ATOM 0 H22 DG A 6 -4.055 0.455 -2.898 1.00 8.00 H new ATOM 197 P DT A 7 -3.676 -2.046 -10.938 1.00 8.00 P ATOM 198 OP1 DT A 7 -4.826 -2.798 -11.480 1.00 8.00 O ATOM 199 OP2 DT A 7 -2.763 -1.309 -11.836 1.00 8.00 O ATOM 200 O5' DT A 7 -4.216 -1.037 -9.813 1.00 8.00 O ATOM 201 C5' DT A 7 -4.564 0.306 -10.112 1.00 8.00 C ATOM 202 C4' DT A 7 -5.479 0.886 -9.031 1.00 8.00 C ATOM 203 O4' DT A 7 -6.613 0.035 -8.901 1.00 8.00 O ATOM 204 C3' DT A 7 -4.792 0.978 -7.660 1.00 8.00 C ATOM 205 O3' DT A 7 -5.279 2.077 -6.921 1.00 8.00 O ATOM 206 C2' DT A 7 -5.253 -0.290 -6.981 1.00 8.00 C ATOM 207 C1' DT A 7 -6.662 -0.447 -7.576 1.00 8.00 C ATOM 208 N1 DT A 7 -7.140 -1.853 -7.554 1.00 8.00 N ATOM 209 C2 DT A 7 -8.407 -2.095 -7.011 1.00 8.00 C ATOM 210 O2 DT A 7 -9.142 -1.225 -6.570 1.00 8.00 O ATOM 211 N3 DT A 7 -8.815 -3.407 -6.960 1.00 8.00 N ATOM 212 C4 DT A 7 -8.074 -4.503 -7.357 1.00 8.00 C ATOM 213 O4 DT A 7 -8.567 -5.618 -7.233 1.00 8.00 O ATOM 214 C5 DT A 7 -6.750 -4.183 -7.890 1.00 8.00 C ATOM 215 C7 DT A 7 -5.801 -5.283 -8.323 1.00 8.00 C ATOM 216 C6 DT A 7 -6.342 -2.892 -7.982 1.00 8.00 C ATOM 0 H5' DT A 7 -5.064 0.350 -11.079 1.00 8.00 H new ATOM 0 H5'' DT A 7 -3.661 0.911 -10.193 1.00 8.00 H new ATOM 0 H4' DT A 7 -5.753 1.896 -9.337 1.00 8.00 H new ATOM 0 H3' DT A 7 -3.711 1.097 -7.740 1.00 8.00 H new ATOM 0 H2' DT A 7 -4.610 -1.139 -7.214 1.00 8.00 H new ATOM 0 H2'' DT A 7 -5.272 -0.193 -5.896 1.00 8.00 H new ATOM 0 H1' DT A 7 -7.370 0.119 -6.971 1.00 8.00 H new ATOM 0 H3 DT A 7 -9.750 -3.587 -6.596 1.00 8.00 H new ATOM 0 H71 DT A 7 -5.163 -4.917 -9.128 1.00 8.00 H new ATOM 0 H72 DT A 7 -5.182 -5.583 -7.477 1.00 8.00 H new ATOM 0 H73 DT A 7 -6.374 -6.140 -8.676 1.00 8.00 H new ATOM 0 H6 DT A 7 -5.370 -2.674 -8.400 1.00 8.00 H new ATOM 229 P DG A 8 -4.771 3.574 -7.212 1.00 8.00 P ATOM 230 OP1 DG A 8 -5.939 4.466 -7.109 1.00 8.00 O ATOM 231 OP2 DG A 8 -3.964 3.551 -8.453 1.00 8.00 O ATOM 232 O5' DG A 8 -3.774 3.840 -5.976 1.00 8.00 O ATOM 233 C5' DG A 8 -4.203 3.692 -4.631 1.00 8.00 C ATOM 234 C4' DG A 8 -3.253 4.390 -3.652 1.00 8.00 C ATOM 235 O4' DG A 8 -2.015 3.699 -3.531 1.00 8.00 O ATOM 236 C3' DG A 8 -2.990 5.844 -4.049 1.00 8.00 C ATOM 237 O3' DG A 8 -3.350 6.723 -2.998 1.00 8.00 O ATOM 238 C2' DG A 8 -1.491 5.904 -4.299 1.00 8.00 C ATOM 239 C1' DG A 8 -0.928 4.550 -3.860 1.00 8.00 C ATOM 240 N9 DG A 8 -0.146 3.948 -4.961 1.00 8.00 N ATOM 241 C8 DG A 8 -0.620 3.209 -6.013 1.00 8.00 C ATOM 242 N7 DG A 8 0.290 2.850 -6.873 1.00 8.00 N ATOM 243 C5 DG A 8 1.462 3.392 -6.358 1.00 8.00 C ATOM 244 C6 DG A 8 2.817 3.329 -6.834 1.00 8.00 C ATOM 245 O6 DG A 8 3.278 2.770 -7.823 1.00 8.00 O ATOM 246 N1 DG A 8 3.712 3.999 -6.026 1.00 8.00 N ATOM 247 C2 DG A 8 3.367 4.666 -4.891 1.00 8.00 C ATOM 248 N2 DG A 8 4.354 5.244 -4.247 1.00 8.00 N ATOM 249 N3 DG A 8 2.121 4.745 -4.409 1.00 8.00 N ATOM 250 C4 DG A 8 1.211 4.081 -5.188 1.00 8.00 C ATOM 0 H5' DG A 8 -4.266 2.632 -4.384 1.00 8.00 H new ATOM 0 H5'' DG A 8 -5.206 4.105 -4.522 1.00 8.00 H new ATOM 0 H4' DG A 8 -3.755 4.379 -2.685 1.00 8.00 H new ATOM 0 H3' DG A 8 -3.572 6.146 -4.920 1.00 8.00 H new ATOM 0 H2' DG A 8 -1.280 6.090 -5.352 1.00 8.00 H new ATOM 0 H2'' DG A 8 -1.035 6.717 -3.734 1.00 8.00 H new ATOM 0 H1' DG A 8 -0.275 4.682 -2.997 1.00 8.00 H new ATOM 0 H8 DG A 8 -1.662 2.946 -6.120 1.00 8.00 H new ATOM 0 H1 DG A 8 4.695 3.994 -6.297 1.00 8.00 H new ATOM 0 H21 DG A 8 4.169 5.762 -3.388 1.00 8.00 H new ATOM 0 H22 DG A 8 5.306 5.175 -4.606 1.00 8.00 H new ATOM 262 P DT A 9 -4.763 7.501 -3.022 1.00 8.00 P ATOM 263 OP1 DT A 9 -5.739 6.658 -3.743 1.00 8.00 O ATOM 264 OP2 DT A 9 -4.507 8.887 -3.461 1.00 8.00 O ATOM 265 O5' DT A 9 -5.180 7.514 -1.468 1.00 8.00 O ATOM 266 C5' DT A 9 -5.940 6.451 -0.913 1.00 8.00 C ATOM 267 C4' DT A 9 -6.105 6.591 0.598 1.00 8.00 C ATOM 268 O4' DT A 9 -4.867 6.268 1.198 1.00 8.00 O ATOM 269 C3' DT A 9 -6.503 8.000 1.063 1.00 8.00 C ATOM 270 O3' DT A 9 -7.479 7.949 2.091 1.00 8.00 O ATOM 271 C2' DT A 9 -5.207 8.536 1.648 1.00 8.00 C ATOM 272 C1' DT A 9 -4.533 7.261 2.141 1.00 8.00 C ATOM 273 N1 DT A 9 -3.068 7.447 2.215 1.00 8.00 N ATOM 274 C2 DT A 9 -2.545 8.067 3.352 1.00 8.00 C ATOM 275 O2 DT A 9 -3.205 8.331 4.352 1.00 8.00 O ATOM 276 N3 DT A 9 -1.205 8.390 3.317 1.00 8.00 N ATOM 277 C4 DT A 9 -0.326 8.064 2.302 1.00 8.00 C ATOM 278 O4 DT A 9 0.854 8.367 2.435 1.00 8.00 O ATOM 279 C5 DT A 9 -0.935 7.375 1.166 1.00 8.00 C ATOM 280 C7 DT A 9 -0.102 6.929 -0.014 1.00 8.00 C ATOM 281 C6 DT A 9 -2.264 7.110 1.148 1.00 8.00 C ATOM 0 H5' DT A 9 -5.453 5.502 -1.138 1.00 8.00 H new ATOM 0 H5'' DT A 9 -6.923 6.424 -1.384 1.00 8.00 H new ATOM 0 H4' DT A 9 -6.915 5.924 0.892 1.00 8.00 H new ATOM 0 H3' DT A 9 -6.926 8.600 0.257 1.00 8.00 H new ATOM 0 H2' DT A 9 -4.605 9.053 0.901 1.00 8.00 H new ATOM 0 H2'' DT A 9 -5.386 9.243 2.458 1.00 8.00 H new ATOM 0 H1' DT A 9 -4.864 6.987 3.143 1.00 8.00 H new ATOM 0 H3 DT A 9 -0.831 8.914 4.108 1.00 8.00 H new ATOM 0 H71 DT A 9 -0.547 6.038 -0.457 1.00 8.00 H new ATOM 0 H72 DT A 9 -0.068 7.726 -0.757 1.00 8.00 H new ATOM 0 H73 DT A 9 0.910 6.701 0.320 1.00 8.00 H new ATOM 0 H6 DT A 9 -2.699 6.628 0.285 1.00 8.00 H new ATOM 294 P DG A 10 -9.052 8.004 1.741 1.00 8.00 P ATOM 295 OP1 DG A 10 -9.265 9.067 0.740 1.00 8.00 O ATOM 296 OP2 DG A 10 -9.779 8.037 3.032 1.00 8.00 O ATOM 297 O5' DG A 10 -9.325 6.589 1.040 1.00 8.00 O ATOM 298 C5' DG A 10 -9.452 5.413 1.808 1.00 8.00 C ATOM 299 C4' DG A 10 -9.674 4.226 0.881 1.00 8.00 C ATOM 300 O4' DG A 10 -8.486 3.952 0.144 1.00 8.00 O ATOM 301 C3' DG A 10 -10.005 2.954 1.677 1.00 8.00 C ATOM 302 O3' DG A 10 -11.061 2.283 1.007 1.00 8.00 O ATOM 303 C2' DG A 10 -8.699 2.183 1.561 1.00 8.00 C ATOM 304 C1' DG A 10 -8.354 2.551 0.129 1.00 8.00 C ATOM 305 N9 DG A 10 -7.008 2.095 -0.313 1.00 8.00 N ATOM 306 C8 DG A 10 -6.685 1.264 -1.378 1.00 8.00 C ATOM 307 N7 DG A 10 -5.418 1.199 -1.656 1.00 8.00 N ATOM 308 C5 DG A 10 -4.860 1.971 -0.645 1.00 8.00 C ATOM 309 C6 DG A 10 -3.467 2.230 -0.400 1.00 8.00 C ATOM 310 O6 DG A 10 -2.493 1.862 -1.065 1.00 8.00 O ATOM 311 N1 DG A 10 -3.220 2.955 0.757 1.00 8.00 N ATOM 312 C2 DG A 10 -4.201 3.353 1.618 1.00 8.00 C ATOM 313 N2 DG A 10 -3.813 3.927 2.744 1.00 8.00 N ATOM 314 N3 DG A 10 -5.512 3.150 1.398 1.00 8.00 N ATOM 315 C4 DG A 10 -5.788 2.460 0.237 1.00 8.00 C ATOM 0 H5' DG A 10 -10.287 5.507 2.503 1.00 8.00 H new ATOM 0 H5'' DG A 10 -8.555 5.258 2.407 1.00 8.00 H new ATOM 0 H4' DG A 10 -10.501 4.486 0.221 1.00 8.00 H new ATOM 0 H3' DG A 10 -10.324 3.101 2.709 1.00 8.00 H new ATOM 0 H2' DG A 10 -7.946 2.513 2.277 1.00 8.00 H new ATOM 0 H2'' DG A 10 -8.826 1.110 1.704 1.00 8.00 H new ATOM 0 H1' DG A 10 -8.999 2.057 -0.597 1.00 8.00 H new ATOM 0 H8 DG A 10 -7.431 0.714 -1.933 1.00 8.00 H new ATOM 0 H1 DG A 10 -2.255 3.203 0.975 1.00 8.00 H new ATOM 0 H21 DG A 10 -4.507 4.243 3.421 1.00 8.00 H new ATOM 0 H22 DG A 10 -2.819 4.054 2.935 1.00 8.00 H new ATOM 327 P DG A 11 -11.769 0.963 1.604 1.00 8.00 P ATOM 328 OP1 DG A 11 -13.059 0.810 0.899 1.00 8.00 O ATOM 329 OP2 DG A 11 -11.729 1.065 3.076 1.00 8.00 O ATOM 330 O5' DG A 11 -10.791 -0.237 1.133 1.00 8.00 O ATOM 331 C5' DG A 11 -10.780 -0.676 -0.213 1.00 8.00 C ATOM 332 C4' DG A 11 -9.765 -1.795 -0.466 1.00 8.00 C ATOM 333 O4' DG A 11 -8.447 -1.283 -0.363 1.00 8.00 O ATOM 334 C3' DG A 11 -9.889 -3.006 0.466 1.00 8.00 C ATOM 335 O3' DG A 11 -9.930 -4.190 -0.316 1.00 8.00 O ATOM 336 C2' DG A 11 -8.574 -2.990 1.224 1.00 8.00 C ATOM 337 C1' DG A 11 -7.656 -2.293 0.216 1.00 8.00 C ATOM 338 N9 DG A 11 -6.409 -1.690 0.716 1.00 8.00 N ATOM 339 C8 DG A 11 -6.191 -0.933 1.842 1.00 8.00 C ATOM 340 N7 DG A 11 -4.979 -0.496 1.990 1.00 8.00 N ATOM 341 C5 DG A 11 -4.344 -1.017 0.873 1.00 8.00 C ATOM 342 C6 DG A 11 -2.958 -0.921 0.503 1.00 8.00 C ATOM 343 O6 DG A 11 -2.048 -0.332 1.103 1.00 8.00 O ATOM 344 N1 DG A 11 -2.650 -1.587 -0.674 1.00 8.00 N ATOM 345 C2 DG A 11 -3.547 -2.332 -1.386 1.00 8.00 C ATOM 346 N2 DG A 11 -3.086 -3.023 -2.412 1.00 8.00 N ATOM 347 N3 DG A 11 -4.846 -2.449 -1.057 1.00 8.00 N ATOM 348 C4 DG A 11 -5.186 -1.754 0.079 1.00 8.00 C ATOM 0 H5' DG A 11 -10.552 0.168 -0.864 1.00 8.00 H new ATOM 0 H5'' DG A 11 -11.776 -1.027 -0.484 1.00 8.00 H new ATOM 0 H4' DG A 11 -9.986 -2.154 -1.471 1.00 8.00 H new ATOM 0 H3' DG A 11 -10.774 -2.974 1.101 1.00 8.00 H new ATOM 0 H2' DG A 11 -8.647 -2.440 2.162 1.00 8.00 H new ATOM 0 H2'' DG A 11 -8.228 -3.994 1.469 1.00 8.00 H new ATOM 0 H1' DG A 11 -7.293 -3.067 -0.460 1.00 8.00 H new ATOM 0 H8 DG A 11 -6.974 -0.717 2.554 1.00 8.00 H new ATOM 0 H1 DG A 11 -1.697 -1.516 -1.029 1.00 8.00 H new ATOM 0 H21 DG A 11 -3.722 -3.593 -2.970 1.00 8.00 H new ATOM 0 H22 DG A 11 -2.094 -2.987 -2.646 1.00 8.00 H new ATOM 360 P DT A 12 -10.819 -5.455 0.133 1.00 8.00 P ATOM 361 OP1 DT A 12 -10.584 -6.557 -0.823 1.00 8.00 O ATOM 362 OP2 DT A 12 -12.193 -4.971 0.382 1.00 8.00 O ATOM 363 O5' DT A 12 -10.152 -5.857 1.547 1.00 8.00 O ATOM 364 C5' DT A 12 -10.970 -6.207 2.652 1.00 8.00 C ATOM 365 C4' DT A 12 -10.192 -6.384 3.954 1.00 8.00 C ATOM 366 O4' DT A 12 -9.314 -7.487 3.871 1.00 8.00 O ATOM 367 C3' DT A 12 -9.413 -5.129 4.343 1.00 8.00 C ATOM 368 O3' DT A 12 -9.868 -4.644 5.589 1.00 8.00 O ATOM 369 C2' DT A 12 -7.968 -5.582 4.478 1.00 8.00 C ATOM 370 C1' DT A 12 -7.998 -7.071 4.147 1.00 8.00 C ATOM 371 N1 DT A 12 -7.162 -7.454 2.981 1.00 8.00 N ATOM 372 C2 DT A 12 -6.460 -8.657 3.085 1.00 8.00 C ATOM 373 O2 DT A 12 -6.432 -9.344 4.086 1.00 8.00 O ATOM 374 N3 DT A 12 -5.755 -9.040 1.976 1.00 8.00 N ATOM 375 C4 DT A 12 -5.696 -8.362 0.770 1.00 8.00 C ATOM 376 O4 DT A 12 -5.044 -8.854 -0.145 1.00 8.00 O ATOM 377 C5 DT A 12 -6.442 -7.114 0.736 1.00 8.00 C ATOM 378 C7 DT A 12 -6.464 -6.286 -0.532 1.00 8.00 C ATOM 379 C6 DT A 12 -7.137 -6.706 1.825 1.00 8.00 C ATOM 0 H5' DT A 12 -11.497 -7.133 2.424 1.00 8.00 H new ATOM 0 H5'' DT A 12 -11.727 -5.435 2.792 1.00 8.00 H new ATOM 0 H4' DT A 12 -10.931 -6.570 4.734 1.00 8.00 H new ATOM 0 H3' DT A 12 -9.534 -4.333 3.608 1.00 8.00 H new ATOM 0 H2' DT A 12 -7.316 -5.037 3.795 1.00 8.00 H new ATOM 0 H2'' DT A 12 -7.591 -5.408 5.486 1.00 8.00 H new ATOM 0 H1' DT A 12 -7.590 -7.560 5.032 1.00 8.00 H new ATOM 0 H3 DT A 12 -5.222 -9.907 2.044 1.00 8.00 H new ATOM 0 H71 DT A 12 -7.405 -5.740 -0.593 1.00 8.00 H new ATOM 0 H72 DT A 12 -5.634 -5.579 -0.520 1.00 8.00 H new ATOM 0 H73 DT A 12 -6.369 -6.942 -1.397 1.00 8.00 H new ATOM 0 H6 DT A 12 -7.683 -5.775 1.786 1.00 8.00 H new ATOM 392 P DT A 13 -9.745 -3.086 5.974 1.00 8.00 P ATOM 393 OP1 DT A 13 -10.567 -2.860 7.179 1.00 8.00 O ATOM 394 OP2 DT A 13 -9.986 -2.309 4.744 1.00 8.00 O ATOM 395 O5' DT A 13 -8.197 -2.885 6.364 1.00 8.00 O ATOM 396 C5' DT A 13 -7.644 -3.363 7.579 1.00 8.00 C ATOM 397 C4' DT A 13 -6.208 -2.852 7.735 1.00 8.00 C ATOM 398 O4' DT A 13 -5.406 -3.323 6.666 1.00 8.00 O ATOM 399 C3' DT A 13 -6.123 -1.310 7.760 1.00 8.00 C ATOM 400 O3' DT A 13 -5.122 -0.829 8.643 1.00 8.00 O ATOM 401 C2' DT A 13 -5.591 -1.056 6.358 1.00 8.00 C ATOM 402 C1' DT A 13 -4.634 -2.210 6.275 1.00 8.00 C ATOM 403 N1 DT A 13 -3.922 -2.428 5.008 1.00 8.00 N ATOM 404 C2 DT A 13 -2.542 -2.192 4.966 1.00 8.00 C ATOM 405 O2 DT A 13 -1.904 -1.692 5.865 1.00 8.00 O ATOM 406 N3 DT A 13 -1.905 -2.609 3.828 1.00 8.00 N ATOM 407 C4 DT A 13 -2.473 -3.342 2.801 1.00 8.00 C ATOM 408 O4 DT A 13 -1.752 -3.702 1.878 1.00 8.00 O ATOM 409 C5 DT A 13 -3.897 -3.632 2.964 1.00 8.00 C ATOM 410 C7 DT A 13 -4.580 -4.586 2.002 1.00 8.00 C ATOM 411 C6 DT A 13 -4.563 -3.152 4.050 1.00 8.00 C ATOM 0 H5' DT A 13 -7.655 -4.453 7.590 1.00 8.00 H new ATOM 0 H5'' DT A 13 -8.251 -3.030 8.421 1.00 8.00 H new ATOM 0 H4' DT A 13 -5.848 -3.231 8.692 1.00 8.00 H new ATOM 0 H3' DT A 13 -7.064 -0.847 8.057 1.00 8.00 H new ATOM 0 H2' DT A 13 -6.369 -1.095 5.596 1.00 8.00 H new ATOM 0 H2'' DT A 13 -5.098 -0.089 6.261 1.00 8.00 H new ATOM 0 H1' DT A 13 -3.780 -2.004 6.920 1.00 8.00 H new ATOM 0 H3 DT A 13 -0.922 -2.356 3.728 1.00 8.00 H new ATOM 0 H71 DT A 13 -4.090 -4.535 1.030 1.00 8.00 H new ATOM 0 H72 DT A 13 -4.513 -5.603 2.389 1.00 8.00 H new ATOM 0 H73 DT A 13 -5.628 -4.307 1.896 1.00 8.00 H new ATOM 0 H6 DT A 13 -5.620 -3.349 4.153 1.00 8.00 H new ATOM 424 P DG A 14 -5.450 -0.184 10.078 1.00 8.00 P ATOM 425 OP1 DG A 14 -5.444 -1.272 11.078 1.00 8.00 O ATOM 426 OP2 DG A 14 -6.631 0.696 9.934 1.00 8.00 O ATOM 427 O5' DG A 14 -4.144 0.739 10.297 1.00 8.00 O ATOM 428 C5' DG A 14 -4.038 2.018 9.695 1.00 8.00 C ATOM 429 C4' DG A 14 -2.611 2.556 9.794 1.00 8.00 C ATOM 430 O4' DG A 14 -1.781 1.929 8.833 1.00 8.00 O ATOM 431 C3' DG A 14 -2.545 4.070 9.559 1.00 8.00 C ATOM 432 O3' DG A 14 -1.668 4.603 10.539 1.00 8.00 O ATOM 433 C2' DG A 14 -1.905 4.097 8.189 1.00 8.00 C ATOM 434 C1' DG A 14 -0.946 2.941 8.339 1.00 8.00 C ATOM 435 N9 DG A 14 -0.303 2.598 7.065 1.00 8.00 N ATOM 436 C8 DG A 14 1.005 2.829 6.760 1.00 8.00 C ATOM 437 N7 DG A 14 1.405 2.357 5.611 1.00 8.00 N ATOM 438 C5 DG A 14 0.213 1.844 5.098 1.00 8.00 C ATOM 439 C6 DG A 14 -0.040 1.221 3.820 1.00 8.00 C ATOM 440 O6 DG A 14 0.762 0.984 2.913 1.00 8.00 O ATOM 441 N1 DG A 14 -1.368 0.890 3.598 1.00 8.00 N ATOM 442 C2 DG A 14 -2.369 1.179 4.478 1.00 8.00 C ATOM 443 N2 DG A 14 -3.601 0.928 4.095 1.00 8.00 N ATOM 444 N3 DG A 14 -2.175 1.758 5.668 1.00 8.00 N ATOM 445 C4 DG A 14 -0.860 2.041 5.935 1.00 8.00 C ATOM 0 H5' DG A 14 -4.725 2.710 10.181 1.00 8.00 H new ATOM 0 H5'' DG A 14 -4.335 1.956 8.648 1.00 8.00 H new ATOM 0 H4' DG A 14 -2.267 2.339 10.805 1.00 8.00 H new ATOM 0 H3' DG A 14 -3.480 4.626 9.617 1.00 8.00 H new ATOM 0 H2' DG A 14 -2.626 3.942 7.387 1.00 8.00 H new ATOM 0 H2'' DG A 14 -1.397 5.039 7.983 1.00 8.00 H new ATOM 0 H1' DG A 14 -0.100 3.144 8.995 1.00 8.00 H new ATOM 0 H8 DG A 14 1.666 3.366 7.424 1.00 8.00 H new ATOM 0 H1 DG A 14 -1.608 0.406 2.733 1.00 8.00 H new ATOM 0 H21 DG A 14 -4.381 1.129 4.721 1.00 8.00 H new ATOM 0 H22 DG A 14 -3.777 0.533 3.171 1.00 8.00 H new ATOM 457 P DG A 15 -1.475 6.181 10.809 1.00 8.00 P ATOM 458 OP1 DG A 15 -0.707 6.312 12.061 1.00 8.00 O ATOM 459 OP2 DG A 15 -2.793 6.839 10.667 1.00 8.00 O ATOM 460 O5' DG A 15 -0.530 6.681 9.599 1.00 8.00 O ATOM 461 C5' DG A 15 0.869 6.443 9.617 1.00 8.00 C ATOM 462 C4' DG A 15 1.544 6.859 8.305 1.00 8.00 C ATOM 463 O4' DG A 15 1.205 5.937 7.285 1.00 8.00 O ATOM 464 C3' DG A 15 1.156 8.267 7.816 1.00 8.00 C ATOM 465 O3' DG A 15 2.319 9.030 7.531 1.00 8.00 O ATOM 466 C2' DG A 15 0.405 7.989 6.520 1.00 8.00 C ATOM 467 C1' DG A 15 1.077 6.682 6.098 1.00 8.00 C ATOM 468 N9 DG A 15 0.400 5.891 5.068 1.00 8.00 N ATOM 469 C8 DG A 15 -0.932 5.621 4.938 1.00 8.00 C ATOM 470 N7 DG A 15 -1.268 4.940 3.878 1.00 8.00 N ATOM 471 C5 DG A 15 -0.024 4.748 3.278 1.00 8.00 C ATOM 472 C6 DG A 15 0.298 4.082 2.044 1.00 8.00 C ATOM 473 O6 DG A 15 -0.468 3.525 1.251 1.00 8.00 O ATOM 474 N1 DG A 15 1.654 4.084 1.745 1.00 8.00 N ATOM 475 C2 DG A 15 2.616 4.626 2.547 1.00 8.00 C ATOM 476 N2 DG A 15 3.867 4.500 2.162 1.00 8.00 N ATOM 477 N3 DG A 15 2.346 5.272 3.690 1.00 8.00 N ATOM 478 C4 DG A 15 1.010 5.298 3.994 1.00 8.00 C ATOM 0 H5' DG A 15 1.053 5.384 9.799 1.00 8.00 H new ATOM 0 H5'' DG A 15 1.319 6.991 10.445 1.00 8.00 H new ATOM 0 H4' DG A 15 2.614 6.868 8.514 1.00 8.00 H new ATOM 0 H3' DG A 15 0.577 8.827 8.551 1.00 8.00 H new ATOM 0 H2' DG A 15 -0.668 7.874 6.676 1.00 8.00 H new ATOM 0 H2'' DG A 15 0.537 8.782 5.784 1.00 8.00 H new ATOM 0 HO3' DG A 15 2.057 9.922 7.220 1.00 8.00 H new ATOM 0 H1' DG A 15 2.021 6.932 5.614 1.00 8.00 H new ATOM 0 H8 DG A 15 -1.660 5.950 5.665 1.00 8.00 H new ATOM 0 H1 DG A 15 1.950 3.653 0.869 1.00 8.00 H new ATOM 0 H21 DG A 15 4.618 4.890 2.732 1.00 8.00 H new ATOM 0 H22 DG A 15 4.087 4.012 1.294 1.00 8.00 H new TER 491 DG A 15 HETATM 492 C4 1CF A 101 4.781 8.076 0.050 1.00 8.00 C HETATM 493 C5 1CF A 101 4.482 7.444 -1.314 1.00 8.00 C HETATM 494 C6 1CF A 101 3.175 6.681 -1.334 1.00 8.00 C HETATM 495 C11 1CF A 101 8.903 6.431 -4.348 1.00 8.00 C HETATM 496 C12 1CF A 101 8.989 6.646 -2.841 1.00 8.00 C HETATM 497 C3 1CF A 101 6.173 8.694 0.047 1.00 8.00 C HETATM 498 O11 1CF A 101 10.100 5.810 -4.762 1.00 8.00 O HETATM 499 C1 1CF A 101 6.877 7.118 -1.763 1.00 8.00 C HETATM 500 C2 1CF A 101 7.217 7.641 -0.353 1.00 8.00 C HETATM 501 O2 1CF A 101 8.519 8.271 -0.325 1.00 8.00 O HETATM 502 O3 1CF A 101 6.438 9.201 1.370 1.00 8.00 O HETATM 503 O4 1CF A 101 4.745 7.076 1.083 1.00 8.00 O HETATM 504 O5 1CF A 101 5.541 6.514 -1.726 1.00 8.00 O HETATM 505 O1 1CF A 101 7.857 6.117 -2.178 1.00 8.00 O