USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=4 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 -30:sc= -0.0317 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -0.0326 (180deg=-1.23) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= -1.29 (180deg=-2.04!) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 P DG A 1 10.223 4.584 -6.684 1.00 8.00 P ATOM 2 OP1 DG A 1 11.629 4.143 -6.775 1.00 8.00 O ATOM 3 OP2 DG A 1 9.590 5.309 -7.806 1.00 8.00 O ATOM 4 O5' DG A 1 9.293 3.306 -6.366 1.00 8.00 O ATOM 5 C5' DG A 1 9.669 2.271 -5.473 1.00 8.00 C ATOM 6 C4' DG A 1 9.726 2.715 -4.009 1.00 8.00 C ATOM 7 O4' DG A 1 8.471 3.215 -3.568 1.00 8.00 O ATOM 8 C3' DG A 1 10.065 1.536 -3.083 1.00 8.00 C ATOM 9 O3' DG A 1 11.278 1.813 -2.407 1.00 8.00 O ATOM 10 C2' DG A 1 8.897 1.520 -2.103 1.00 8.00 C ATOM 11 C1' DG A 1 8.412 2.952 -2.187 1.00 8.00 C ATOM 12 N9 DG A 1 7.079 3.106 -1.579 1.00 8.00 N ATOM 13 C8 DG A 1 6.827 3.601 -0.324 1.00 8.00 C ATOM 14 N7 DG A 1 5.568 3.673 0.008 1.00 8.00 N ATOM 15 C5 DG A 1 4.963 3.098 -1.113 1.00 8.00 C ATOM 16 C6 DG A 1 3.568 2.830 -1.341 1.00 8.00 C ATOM 17 O6 DG A 1 2.615 3.108 -0.608 1.00 8.00 O ATOM 18 N1 DG A 1 3.299 2.165 -2.531 1.00 8.00 N ATOM 19 C2 DG A 1 4.264 1.818 -3.432 1.00 8.00 C ATOM 20 N2 DG A 1 3.881 1.153 -4.507 1.00 8.00 N ATOM 21 N3 DG A 1 5.564 2.091 -3.272 1.00 8.00 N ATOM 22 C4 DG A 1 5.857 2.722 -2.085 1.00 8.00 C ATOM 0 H5' DG A 1 10.646 1.887 -5.766 1.00 8.00 H new ATOM 0 H5'' DG A 1 8.962 1.447 -5.567 1.00 8.00 H new ATOM 0 H4' DG A 1 10.493 3.488 -3.961 1.00 8.00 H new ATOM 0 H3' DG A 1 10.195 0.585 -3.600 1.00 8.00 H new ATOM 0 H2' DG A 1 8.126 0.808 -2.396 1.00 8.00 H new ATOM 0 H2'' DG A 1 9.212 1.252 -1.094 1.00 8.00 H new ATOM 0 H1' DG A 1 9.008 3.670 -1.624 1.00 8.00 H new ATOM 0 H8 DG A 1 7.618 3.910 0.343 1.00 8.00 H new ATOM 0 H1 DG A 1 2.331 1.924 -2.742 1.00 8.00 H new ATOM 0 H21 DG A 1 4.569 0.874 -5.206 1.00 8.00 H new ATOM 0 H22 DG A 1 2.897 0.919 -4.638 1.00 8.00 H new ATOM 34 P DG A 2 12.119 0.683 -1.615 1.00 8.00 P ATOM 35 OP1 DG A 2 13.443 1.268 -1.325 1.00 8.00 O ATOM 36 OP2 DG A 2 12.006 -0.586 -2.363 1.00 8.00 O ATOM 37 O5' DG A 2 11.330 0.513 -0.221 1.00 8.00 O ATOM 38 C5' DG A 2 11.334 1.545 0.748 1.00 8.00 C ATOM 39 C4' DG A 2 10.620 1.160 2.046 1.00 8.00 C ATOM 40 O4' DG A 2 9.217 1.368 1.938 1.00 8.00 O ATOM 41 C3' DG A 2 10.863 -0.290 2.455 1.00 8.00 C ATOM 42 O3' DG A 2 10.947 -0.277 3.870 1.00 8.00 O ATOM 43 C2' DG A 2 9.592 -0.972 1.963 1.00 8.00 C ATOM 44 C1' DG A 2 8.554 0.135 2.166 1.00 8.00 C ATOM 45 N9 DG A 2 7.336 0.121 1.337 1.00 8.00 N ATOM 46 C8 DG A 2 7.163 -0.387 0.082 1.00 8.00 C ATOM 47 N7 DG A 2 5.941 -0.378 -0.373 1.00 8.00 N ATOM 48 C5 DG A 2 5.263 0.224 0.686 1.00 8.00 C ATOM 49 C6 DG A 2 3.846 0.431 0.857 1.00 8.00 C ATOM 50 O6 DG A 2 2.929 0.124 0.087 1.00 8.00 O ATOM 51 N1 DG A 2 3.506 1.020 2.067 1.00 8.00 N ATOM 52 C2 DG A 2 4.417 1.356 3.028 1.00 8.00 C ATOM 53 N2 DG A 2 3.956 1.896 4.143 1.00 8.00 N ATOM 54 N3 DG A 2 5.736 1.155 2.908 1.00 8.00 N ATOM 55 C4 DG A 2 6.095 0.572 1.719 1.00 8.00 C ATOM 0 H5' DG A 2 10.857 2.430 0.328 1.00 8.00 H new ATOM 0 H5'' DG A 2 12.365 1.816 0.975 1.00 8.00 H new ATOM 0 H4' DG A 2 11.043 1.807 2.815 1.00 8.00 H new ATOM 0 H3' DG A 2 11.756 -0.779 2.066 1.00 8.00 H new ATOM 0 H2' DG A 2 9.668 -1.277 0.919 1.00 8.00 H new ATOM 0 H2'' DG A 2 9.356 -1.866 2.540 1.00 8.00 H new ATOM 0 H1' DG A 2 8.178 -0.026 3.176 1.00 8.00 H new ATOM 0 H8 DG A 2 7.988 -0.773 -0.499 1.00 8.00 H new ATOM 0 H1 DG A 2 2.521 1.213 2.249 1.00 8.00 H new ATOM 0 H21 DG A 2 4.602 2.162 4.886 1.00 8.00 H new ATOM 0 H22 DG A 2 2.954 2.047 4.260 1.00 8.00 H new ATOM 67 P DT A 3 11.812 -1.353 4.686 1.00 8.00 P ATOM 68 OP1 DT A 3 11.791 -0.962 6.110 1.00 8.00 O ATOM 69 OP2 DT A 3 13.101 -1.558 3.994 1.00 8.00 O ATOM 70 O5' DT A 3 10.937 -2.679 4.521 1.00 8.00 O ATOM 71 C5' DT A 3 11.474 -3.932 4.884 1.00 8.00 C ATOM 72 C4' DT A 3 10.502 -5.050 4.528 1.00 8.00 C ATOM 73 O4' DT A 3 9.324 -4.950 5.292 1.00 8.00 O ATOM 74 C3' DT A 3 9.999 -5.030 3.091 1.00 8.00 C ATOM 75 O3' DT A 3 10.800 -5.734 2.170 1.00 8.00 O ATOM 76 C2' DT A 3 8.661 -5.736 3.214 1.00 8.00 C ATOM 77 C1' DT A 3 8.394 -5.835 4.715 1.00 8.00 C ATOM 78 N1 DT A 3 6.992 -5.556 5.109 1.00 8.00 N ATOM 79 C2 DT A 3 6.729 -5.257 6.454 1.00 8.00 C ATOM 80 O2 DT A 3 7.562 -5.213 7.351 1.00 8.00 O ATOM 81 N3 DT A 3 5.414 -5.060 6.793 1.00 8.00 N ATOM 82 C4 DT A 3 4.327 -5.253 5.972 1.00 8.00 C ATOM 83 O4 DT A 3 3.204 -5.073 6.427 1.00 8.00 O ATOM 84 C5 DT A 3 4.664 -5.675 4.620 1.00 8.00 C ATOM 85 C7 DT A 3 3.578 -5.969 3.613 1.00 8.00 C ATOM 86 C6 DT A 3 5.954 -5.802 4.233 1.00 8.00 C ATOM 0 H5' DT A 3 11.682 -3.949 5.954 1.00 8.00 H new ATOM 0 H5'' DT A 3 12.423 -4.090 4.372 1.00 8.00 H new ATOM 0 H4' DT A 3 11.086 -5.952 4.713 1.00 8.00 H new ATOM 0 H3' DT A 3 9.981 -4.011 2.704 1.00 8.00 H new ATOM 0 H2' DT A 3 7.873 -5.176 2.710 1.00 8.00 H new ATOM 0 H2'' DT A 3 8.694 -6.724 2.754 1.00 8.00 H new ATOM 0 H1' DT A 3 8.522 -6.857 5.071 1.00 8.00 H new ATOM 0 H3 DT A 3 5.225 -4.740 7.743 1.00 8.00 H new ATOM 0 H71 DT A 3 3.942 -5.746 2.610 1.00 8.00 H new ATOM 0 H72 DT A 3 3.301 -7.022 3.673 1.00 8.00 H new ATOM 0 H73 DT A 3 2.706 -5.352 3.828 1.00 8.00 H new ATOM 0 H6 DT A 3 6.176 -6.102 3.219 1.00 8.00 H new ATOM 99 P DT A 4 10.874 -5.246 0.636 1.00 8.00 P ATOM 100 OP1 DT A 4 11.637 -6.260 -0.122 1.00 8.00 O ATOM 101 OP2 DT A 4 11.291 -3.831 0.635 1.00 8.00 O ATOM 102 O5' DT A 4 9.334 -5.293 0.151 1.00 8.00 O ATOM 103 C5' DT A 4 8.720 -6.512 -0.228 1.00 8.00 C ATOM 104 C4' DT A 4 7.265 -6.302 -0.649 1.00 8.00 C ATOM 105 O4' DT A 4 6.470 -5.721 0.366 1.00 8.00 O ATOM 106 C3' DT A 4 7.144 -5.448 -1.922 1.00 8.00 C ATOM 107 O3' DT A 4 6.175 -5.947 -2.826 1.00 8.00 O ATOM 108 C2' DT A 4 6.610 -4.164 -1.323 1.00 8.00 C ATOM 109 C1' DT A 4 5.664 -4.765 -0.293 1.00 8.00 C ATOM 110 N1 DT A 4 5.168 -3.789 0.684 1.00 8.00 N ATOM 111 C2 DT A 4 3.808 -3.486 0.716 1.00 8.00 C ATOM 112 O2 DT A 4 3.009 -3.847 -0.139 1.00 8.00 O ATOM 113 N3 DT A 4 3.375 -2.757 1.798 1.00 8.00 N ATOM 114 C4 DT A 4 4.155 -2.361 2.863 1.00 8.00 C ATOM 115 O4 DT A 4 3.615 -1.783 3.799 1.00 8.00 O ATOM 116 C5 DT A 4 5.575 -2.680 2.737 1.00 8.00 C ATOM 117 C7 DT A 4 6.512 -2.284 3.855 1.00 8.00 C ATOM 118 C6 DT A 4 6.034 -3.356 1.646 1.00 8.00 C ATOM 0 H5' DT A 4 8.761 -7.215 0.604 1.00 8.00 H new ATOM 0 H5'' DT A 4 9.277 -6.960 -1.051 1.00 8.00 H new ATOM 0 H4' DT A 4 6.889 -7.305 -0.849 1.00 8.00 H new ATOM 0 H3' DT A 4 8.073 -5.390 -2.489 1.00 8.00 H new ATOM 0 H2' DT A 4 7.391 -3.552 -0.872 1.00 8.00 H new ATOM 0 H2'' DT A 4 6.097 -3.539 -2.054 1.00 8.00 H new ATOM 0 H1' DT A 4 4.770 -5.167 -0.770 1.00 8.00 H new ATOM 0 H3 DT A 4 2.392 -2.486 1.814 1.00 8.00 H new ATOM 0 H71 DT A 4 6.135 -1.386 4.345 1.00 8.00 H new ATOM 0 H72 DT A 4 6.575 -3.094 4.581 1.00 8.00 H new ATOM 0 H73 DT A 4 7.503 -2.086 3.446 1.00 8.00 H new ATOM 0 H6 DT A 4 7.091 -3.551 1.542 1.00 8.00 H new ATOM 131 P DG A 5 6.482 -7.209 -3.775 1.00 8.00 P ATOM 132 OP1 DG A 5 6.414 -8.425 -2.940 1.00 8.00 O ATOM 133 OP2 DG A 5 7.699 -6.911 -4.562 1.00 8.00 O ATOM 134 O5' DG A 5 5.215 -7.180 -4.759 1.00 8.00 O ATOM 135 C5' DG A 5 5.079 -6.152 -5.718 1.00 8.00 C ATOM 136 C4' DG A 5 3.724 -6.254 -6.420 1.00 8.00 C ATOM 137 O4' DG A 5 2.719 -5.878 -5.492 1.00 8.00 O ATOM 138 C3' DG A 5 3.630 -5.287 -7.611 1.00 8.00 C ATOM 139 O3' DG A 5 2.823 -5.894 -8.611 1.00 8.00 O ATOM 140 C2' DG A 5 2.929 -4.101 -6.966 1.00 8.00 C ATOM 141 C1' DG A 5 1.950 -4.864 -6.089 1.00 8.00 C ATOM 142 N9 DG A 5 1.247 -4.063 -5.073 1.00 8.00 N ATOM 143 C8 DG A 5 -0.106 -4.072 -4.863 1.00 8.00 C ATOM 144 N7 DG A 5 -0.525 -3.334 -3.874 1.00 8.00 N ATOM 145 C5 DG A 5 0.674 -2.781 -3.418 1.00 8.00 C ATOM 146 C6 DG A 5 0.889 -1.881 -2.312 1.00 8.00 C ATOM 147 O6 DG A 5 0.051 -1.401 -1.540 1.00 8.00 O ATOM 148 N1 DG A 5 2.216 -1.524 -2.123 1.00 8.00 N ATOM 149 C2 DG A 5 3.241 -2.016 -2.875 1.00 8.00 C ATOM 150 N2 DG A 5 4.466 -1.618 -2.584 1.00 8.00 N ATOM 151 N3 DG A 5 3.076 -2.850 -3.908 1.00 8.00 N ATOM 152 C4 DG A 5 1.768 -3.208 -4.127 1.00 8.00 C ATOM 0 H5' DG A 5 5.882 -6.222 -6.452 1.00 8.00 H new ATOM 0 H5'' DG A 5 5.173 -5.180 -5.234 1.00 8.00 H new ATOM 0 H4' DG A 5 3.600 -7.276 -6.780 1.00 8.00 H new ATOM 0 H3' DG A 5 4.570 -5.018 -8.092 1.00 8.00 H new ATOM 0 H2' DG A 5 3.608 -3.470 -6.392 1.00 8.00 H new ATOM 0 H2'' DG A 5 2.433 -3.457 -7.692 1.00 8.00 H new ATOM 0 H1' DG A 5 1.132 -5.236 -6.705 1.00 8.00 H new ATOM 0 H8 DG A 5 -0.781 -4.652 -5.476 1.00 8.00 H new ATOM 0 H1 DG A 5 2.436 -0.858 -1.382 1.00 8.00 H new ATOM 0 H21 DG A 5 5.257 -1.966 -3.126 1.00 8.00 H new ATOM 0 H22 DG A 5 4.621 -0.963 -1.818 1.00 8.00 H new ATOM 164 P DG A 6 2.519 -5.199 -10.038 1.00 8.00 P ATOM 165 OP1 DG A 6 2.031 -6.258 -10.945 1.00 8.00 O ATOM 166 OP2 DG A 6 3.693 -4.382 -10.404 1.00 8.00 O ATOM 167 O5' DG A 6 1.292 -4.192 -9.730 1.00 8.00 O ATOM 168 C5' DG A 6 -0.007 -4.691 -9.476 1.00 8.00 C ATOM 169 C4' DG A 6 -0.987 -3.628 -8.986 1.00 8.00 C ATOM 170 O4' DG A 6 -0.569 -3.071 -7.747 1.00 8.00 O ATOM 171 C3' DG A 6 -1.245 -2.484 -9.975 1.00 8.00 C ATOM 172 O3' DG A 6 -2.647 -2.403 -10.150 1.00 8.00 O ATOM 173 C2' DG A 6 -0.646 -1.298 -9.224 1.00 8.00 C ATOM 174 C1' DG A 6 -0.947 -1.712 -7.781 1.00 8.00 C ATOM 175 N9 DG A 6 -0.248 -0.944 -6.736 1.00 8.00 N ATOM 176 C8 DG A 6 1.090 -0.629 -6.594 1.00 8.00 C ATOM 177 N7 DG A 6 1.384 0.058 -5.530 1.00 8.00 N ATOM 178 C5 DG A 6 0.135 0.214 -4.942 1.00 8.00 C ATOM 179 C6 DG A 6 -0.193 0.888 -3.717 1.00 8.00 C ATOM 180 O6 DG A 6 0.568 1.468 -2.934 1.00 8.00 O ATOM 181 N1 DG A 6 -1.541 0.847 -3.406 1.00 8.00 N ATOM 182 C2 DG A 6 -2.471 0.183 -4.143 1.00 8.00 C ATOM 183 N2 DG A 6 -3.683 0.137 -3.624 1.00 8.00 N ATOM 184 N3 DG A 6 -2.199 -0.466 -5.285 1.00 8.00 N ATOM 185 C4 DG A 6 -0.872 -0.399 -5.639 1.00 8.00 C ATOM 0 H5' DG A 6 0.057 -5.484 -8.731 1.00 8.00 H new ATOM 0 H5'' DG A 6 -0.399 -5.141 -10.388 1.00 8.00 H new ATOM 0 H4' DG A 6 -1.927 -4.168 -8.871 1.00 8.00 H new ATOM 0 H3' DG A 6 -0.820 -2.571 -10.975 1.00 8.00 H new ATOM 0 H2' DG A 6 0.422 -1.184 -9.410 1.00 8.00 H new ATOM 0 H2'' DG A 6 -1.119 -0.353 -9.493 1.00 8.00 H new ATOM 0 H1' DG A 6 -1.994 -1.521 -7.548 1.00 8.00 H new ATOM 0 H8 DG A 6 1.836 -0.931 -7.314 1.00 8.00 H new ATOM 0 H1 DG A 6 -1.856 1.345 -2.573 1.00 8.00 H new ATOM 0 H21 DG A 6 -4.433 -0.344 -4.121 1.00 8.00 H new ATOM 0 H22 DG A 6 -3.870 0.583 -2.726 1.00 8.00 H new ATOM 197 P DT A 7 -3.343 -1.234 -10.994 1.00 8.00 P ATOM 198 OP1 DT A 7 -4.590 -1.761 -11.580 1.00 8.00 O ATOM 199 OP2 DT A 7 -2.338 -0.544 -11.833 1.00 8.00 O ATOM 200 O5' DT A 7 -3.733 -0.315 -9.746 1.00 8.00 O ATOM 201 C5' DT A 7 -4.324 0.953 -9.934 1.00 8.00 C ATOM 202 C4' DT A 7 -5.312 1.307 -8.824 1.00 8.00 C ATOM 203 O4' DT A 7 -6.365 0.351 -8.818 1.00 8.00 O ATOM 204 C3' DT A 7 -4.661 1.319 -7.431 1.00 8.00 C ATOM 205 O3' DT A 7 -5.243 2.301 -6.590 1.00 8.00 O ATOM 206 C2' DT A 7 -5.030 -0.056 -6.916 1.00 8.00 C ATOM 207 C1' DT A 7 -6.427 -0.205 -7.524 1.00 8.00 C ATOM 208 N1 DT A 7 -6.865 -1.611 -7.596 1.00 8.00 N ATOM 209 C2 DT A 7 -8.074 -1.941 -6.984 1.00 8.00 C ATOM 210 O2 DT A 7 -8.800 -1.129 -6.422 1.00 8.00 O ATOM 211 N3 DT A 7 -8.430 -3.269 -6.995 1.00 8.00 N ATOM 212 C4 DT A 7 -7.694 -4.295 -7.551 1.00 8.00 C ATOM 213 O4 DT A 7 -8.125 -5.440 -7.469 1.00 8.00 O ATOM 214 C5 DT A 7 -6.445 -3.873 -8.181 1.00 8.00 C ATOM 215 C7 DT A 7 -5.545 -4.883 -8.849 1.00 8.00 C ATOM 216 C6 DT A 7 -6.071 -2.569 -8.183 1.00 8.00 C ATOM 0 H5' DT A 7 -4.839 0.972 -10.894 1.00 8.00 H new ATOM 0 H5'' DT A 7 -3.543 1.712 -9.977 1.00 8.00 H new ATOM 0 H4' DT A 7 -5.682 2.312 -9.030 1.00 8.00 H new ATOM 0 H3' DT A 7 -3.594 1.540 -7.458 1.00 8.00 H new ATOM 0 H2' DT A 7 -4.342 -0.828 -7.260 1.00 8.00 H new ATOM 0 H2'' DT A 7 -5.043 -0.103 -5.827 1.00 8.00 H new ATOM 0 H1' DT A 7 -7.156 0.305 -6.895 1.00 8.00 H new ATOM 0 H3 DT A 7 -9.315 -3.517 -6.554 1.00 8.00 H new ATOM 0 H71 DT A 7 -5.006 -4.405 -9.667 1.00 8.00 H new ATOM 0 H72 DT A 7 -4.831 -5.271 -8.122 1.00 8.00 H new ATOM 0 H73 DT A 7 -6.146 -5.703 -9.241 1.00 8.00 H new ATOM 0 H6 DT A 7 -5.141 -2.280 -8.650 1.00 8.00 H new ATOM 229 P DG A 8 -4.864 3.867 -6.715 1.00 8.00 P ATOM 230 OP1 DG A 8 -6.063 4.635 -6.332 1.00 8.00 O ATOM 231 OP2 DG A 8 -4.233 4.085 -8.034 1.00 8.00 O ATOM 232 O5' DG A 8 -3.737 4.086 -5.588 1.00 8.00 O ATOM 233 C5' DG A 8 -4.031 3.898 -4.215 1.00 8.00 C ATOM 234 C4' DG A 8 -2.993 4.546 -3.292 1.00 8.00 C ATOM 235 O4' DG A 8 -1.788 3.804 -3.291 1.00 8.00 O ATOM 236 C3' DG A 8 -2.693 6.002 -3.671 1.00 8.00 C ATOM 237 O3' DG A 8 -2.907 6.896 -2.593 1.00 8.00 O ATOM 238 C2' DG A 8 -1.217 6.022 -4.015 1.00 8.00 C ATOM 239 C1' DG A 8 -0.704 4.617 -3.698 1.00 8.00 C ATOM 240 N9 DG A 8 -0.076 4.020 -4.888 1.00 8.00 N ATOM 241 C8 DG A 8 -0.672 3.316 -5.902 1.00 8.00 C ATOM 242 N7 DG A 8 0.144 2.924 -6.834 1.00 8.00 N ATOM 243 C5 DG A 8 1.379 3.408 -6.408 1.00 8.00 C ATOM 244 C6 DG A 8 2.679 3.293 -6.994 1.00 8.00 C ATOM 245 O6 DG A 8 3.017 2.736 -8.032 1.00 8.00 O ATOM 246 N1 DG A 8 3.671 3.905 -6.248 1.00 8.00 N ATOM 247 C2 DG A 8 3.438 4.601 -5.096 1.00 8.00 C ATOM 248 N2 DG A 8 4.480 5.136 -4.502 1.00 8.00 N ATOM 249 N3 DG A 8 2.244 4.725 -4.517 1.00 8.00 N ATOM 250 C4 DG A 8 1.254 4.095 -5.220 1.00 8.00 C ATOM 0 H5' DG A 8 -4.084 2.830 -4.002 1.00 8.00 H new ATOM 0 H5'' DG A 8 -5.014 4.315 -3.998 1.00 8.00 H new ATOM 0 H4' DG A 8 -3.429 4.544 -2.293 1.00 8.00 H new ATOM 0 H3' DG A 8 -3.346 6.319 -4.484 1.00 8.00 H new ATOM 0 H2' DG A 8 -1.062 6.268 -5.065 1.00 8.00 H new ATOM 0 H2'' DG A 8 -0.688 6.774 -3.430 1.00 8.00 H new ATOM 0 H1' DG A 8 0.036 4.684 -2.900 1.00 8.00 H new ATOM 0 H8 DG A 8 -1.731 3.105 -5.924 1.00 8.00 H new ATOM 0 H1 DG A 8 4.633 3.832 -6.578 1.00 8.00 H new ATOM 0 H21 DG A 8 4.359 5.666 -3.639 1.00 8.00 H new ATOM 0 H22 DG A 8 5.410 5.022 -4.904 1.00 8.00 H new ATOM 262 P DT A 9 -4.207 7.847 -2.544 1.00 8.00 P ATOM 263 OP1 DT A 9 -5.203 7.337 -3.507 1.00 8.00 O ATOM 264 OP2 DT A 9 -3.743 9.245 -2.624 1.00 8.00 O ATOM 265 O5' DT A 9 -4.759 7.605 -1.055 1.00 8.00 O ATOM 266 C5' DT A 9 -5.629 6.537 -0.723 1.00 8.00 C ATOM 267 C4' DT A 9 -5.894 6.500 0.786 1.00 8.00 C ATOM 268 O4' DT A 9 -4.660 6.245 1.428 1.00 8.00 O ATOM 269 C3' DT A 9 -6.448 7.806 1.367 1.00 8.00 C ATOM 270 O3' DT A 9 -7.297 7.557 2.475 1.00 8.00 O ATOM 271 C2' DT A 9 -5.193 8.491 1.874 1.00 8.00 C ATOM 272 C1' DT A 9 -4.351 7.301 2.316 1.00 8.00 C ATOM 273 N1 DT A 9 -2.904 7.614 2.284 1.00 8.00 N ATOM 274 C2 DT A 9 -2.357 8.306 3.367 1.00 8.00 C ATOM 275 O2 DT A 9 -3.004 8.650 4.350 1.00 8.00 O ATOM 276 N3 DT A 9 -1.014 8.605 3.300 1.00 8.00 N ATOM 277 C4 DT A 9 -0.155 8.222 2.289 1.00 8.00 C ATOM 278 O4 DT A 9 1.034 8.506 2.381 1.00 8.00 O ATOM 279 C5 DT A 9 -0.796 7.503 1.194 1.00 8.00 C ATOM 280 C7 DT A 9 0.001 7.028 0.007 1.00 8.00 C ATOM 281 C6 DT A 9 -2.125 7.241 1.214 1.00 8.00 C ATOM 0 H5' DT A 9 -5.190 5.592 -1.043 1.00 8.00 H new ATOM 0 H5'' DT A 9 -6.571 6.649 -1.260 1.00 8.00 H new ATOM 0 H4' DT A 9 -6.649 5.732 0.953 1.00 8.00 H new ATOM 0 H3' DT A 9 -7.030 8.374 0.641 1.00 8.00 H new ATOM 0 H2' DT A 9 -4.701 9.074 1.095 1.00 8.00 H new ATOM 0 H2'' DT A 9 -5.403 9.173 2.698 1.00 8.00 H new ATOM 0 H1' DT A 9 -4.577 7.031 3.348 1.00 8.00 H new ATOM 0 H3 DT A 9 -0.620 9.157 4.062 1.00 8.00 H new ATOM 0 H71 DT A 9 -0.454 6.125 -0.399 1.00 8.00 H new ATOM 0 H72 DT A 9 0.012 7.804 -0.758 1.00 8.00 H new ATOM 0 H73 DT A 9 1.023 6.811 0.318 1.00 8.00 H new ATOM 0 H6 DT A 9 -2.579 6.732 0.377 1.00 8.00 H new ATOM 294 P DG A 10 -8.898 7.591 2.331 1.00 8.00 P ATOM 295 OP1 DG A 10 -9.246 8.686 1.405 1.00 8.00 O ATOM 296 OP2 DG A 10 -9.436 7.589 3.718 1.00 8.00 O ATOM 297 O5' DG A 10 -9.262 6.202 1.605 1.00 8.00 O ATOM 298 C5' DG A 10 -9.218 4.973 2.299 1.00 8.00 C ATOM 299 C4' DG A 10 -9.586 3.829 1.359 1.00 8.00 C ATOM 300 O4' DG A 10 -8.483 3.623 0.486 1.00 8.00 O ATOM 301 C3' DG A 10 -9.813 2.512 2.122 1.00 8.00 C ATOM 302 O3' DG A 10 -10.899 1.819 1.521 1.00 8.00 O ATOM 303 C2' DG A 10 -8.488 1.805 1.883 1.00 8.00 C ATOM 304 C1' DG A 10 -8.261 2.236 0.448 1.00 8.00 C ATOM 305 N9 DG A 10 -6.911 1.884 -0.052 1.00 8.00 N ATOM 306 C8 DG A 10 -6.582 1.094 -1.139 1.00 8.00 C ATOM 307 N7 DG A 10 -5.321 1.090 -1.447 1.00 8.00 N ATOM 308 C5 DG A 10 -4.774 1.863 -0.436 1.00 8.00 C ATOM 309 C6 DG A 10 -3.390 2.180 -0.217 1.00 8.00 C ATOM 310 O6 DG A 10 -2.414 1.865 -0.903 1.00 8.00 O ATOM 311 N1 DG A 10 -3.160 2.917 0.935 1.00 8.00 N ATOM 312 C2 DG A 10 -4.139 3.297 1.801 1.00 8.00 C ATOM 313 N2 DG A 10 -3.744 3.935 2.894 1.00 8.00 N ATOM 314 N3 DG A 10 -5.441 3.035 1.611 1.00 8.00 N ATOM 315 C4 DG A 10 -5.703 2.315 0.465 1.00 8.00 C ATOM 0 H5' DG A 10 -9.908 4.998 3.143 1.00 8.00 H new ATOM 0 H5'' DG A 10 -8.220 4.812 2.708 1.00 8.00 H new ATOM 0 H4' DG A 10 -10.504 4.094 0.834 1.00 8.00 H new ATOM 0 H3' DG A 10 -10.063 2.607 3.179 1.00 8.00 H new ATOM 0 H2' DG A 10 -7.700 2.143 2.556 1.00 8.00 H new ATOM 0 H2'' DG A 10 -8.559 0.723 1.994 1.00 8.00 H new ATOM 0 H1' DG A 10 -8.923 1.725 -0.251 1.00 8.00 H new ATOM 0 H8 DG A 10 -7.317 0.525 -1.689 1.00 8.00 H new ATOM 0 H1 DG A 10 -2.200 3.191 1.146 1.00 8.00 H new ATOM 0 H21 DG A 10 -4.432 4.245 3.580 1.00 8.00 H new ATOM 0 H22 DG A 10 -2.752 4.116 3.048 1.00 8.00 H new ATOM 327 P DG A 11 -11.492 0.437 2.121 1.00 8.00 P ATOM 328 OP1 DG A 11 -12.850 0.260 1.566 1.00 8.00 O ATOM 329 OP2 DG A 11 -11.274 0.454 3.579 1.00 8.00 O ATOM 330 O5' DG A 11 -10.538 -0.690 1.478 1.00 8.00 O ATOM 331 C5' DG A 11 -10.655 -1.046 0.115 1.00 8.00 C ATOM 332 C4' DG A 11 -9.679 -2.160 -0.261 1.00 8.00 C ATOM 333 O4' DG A 11 -8.352 -1.667 -0.179 1.00 8.00 O ATOM 334 C3' DG A 11 -9.790 -3.399 0.636 1.00 8.00 C ATOM 335 O3' DG A 11 -9.805 -4.569 -0.164 1.00 8.00 O ATOM 336 C2' DG A 11 -8.479 -3.389 1.407 1.00 8.00 C ATOM 337 C1' DG A 11 -7.563 -2.681 0.401 1.00 8.00 C ATOM 338 N9 DG A 11 -6.314 -2.061 0.881 1.00 8.00 N ATOM 339 C8 DG A 11 -6.075 -1.343 2.029 1.00 8.00 C ATOM 340 N7 DG A 11 -4.897 -0.803 2.110 1.00 8.00 N ATOM 341 C5 DG A 11 -4.301 -1.239 0.937 1.00 8.00 C ATOM 342 C6 DG A 11 -2.936 -1.064 0.515 1.00 8.00 C ATOM 343 O6 DG A 11 -2.029 -0.457 1.101 1.00 8.00 O ATOM 344 N1 DG A 11 -2.641 -1.708 -0.679 1.00 8.00 N ATOM 345 C2 DG A 11 -3.549 -2.442 -1.388 1.00 8.00 C ATOM 346 N2 DG A 11 -3.102 -3.077 -2.458 1.00 8.00 N ATOM 347 N3 DG A 11 -4.827 -2.620 -1.020 1.00 8.00 N ATOM 348 C4 DG A 11 -5.139 -2.002 0.166 1.00 8.00 C ATOM 0 H5' DG A 11 -10.467 -0.171 -0.508 1.00 8.00 H new ATOM 0 H5'' DG A 11 -11.675 -1.370 -0.091 1.00 8.00 H new ATOM 0 H4' DG A 11 -9.935 -2.467 -1.275 1.00 8.00 H new ATOM 0 H3' DG A 11 -10.685 -3.388 1.258 1.00 8.00 H new ATOM 0 H2' DG A 11 -8.557 -2.846 2.349 1.00 8.00 H new ATOM 0 H2'' DG A 11 -8.132 -4.394 1.646 1.00 8.00 H new ATOM 0 H1' DG A 11 -7.203 -3.469 -0.261 1.00 8.00 H new ATOM 0 H8 DG A 11 -6.815 -1.236 2.808 1.00 8.00 H new ATOM 0 H1 DG A 11 -1.693 -1.629 -1.047 1.00 8.00 H new ATOM 0 H21 DG A 11 -3.740 -3.639 -3.021 1.00 8.00 H new ATOM 0 H22 DG A 11 -2.119 -3.005 -2.720 1.00 8.00 H new ATOM 360 P DT A 12 -10.573 -5.910 0.299 1.00 8.00 P ATOM 361 OP1 DT A 12 -10.071 -7.019 -0.536 1.00 8.00 O ATOM 362 OP2 DT A 12 -12.019 -5.607 0.344 1.00 8.00 O ATOM 363 O5' DT A 12 -10.055 -6.149 1.814 1.00 8.00 O ATOM 364 C5' DT A 12 -10.967 -6.153 2.902 1.00 8.00 C ATOM 365 C4' DT A 12 -10.325 -6.386 4.274 1.00 8.00 C ATOM 366 O4' DT A 12 -9.620 -7.611 4.303 1.00 8.00 O ATOM 367 C3' DT A 12 -9.400 -5.270 4.768 1.00 8.00 C ATOM 368 O3' DT A 12 -9.745 -4.950 6.100 1.00 8.00 O ATOM 369 C2' DT A 12 -8.006 -5.873 4.764 1.00 8.00 C ATOM 370 C1' DT A 12 -8.247 -7.365 4.528 1.00 8.00 C ATOM 371 N1 DT A 12 -7.493 -7.937 3.393 1.00 8.00 N ATOM 372 C2 DT A 12 -6.995 -9.228 3.563 1.00 8.00 C ATOM 373 O2 DT A 12 -7.052 -9.853 4.620 1.00 8.00 O ATOM 374 N3 DT A 12 -6.371 -9.792 2.476 1.00 8.00 N ATOM 375 C4 DT A 12 -6.163 -9.189 1.256 1.00 8.00 C ATOM 376 O4 DT A 12 -5.587 -9.813 0.374 1.00 8.00 O ATOM 377 C5 DT A 12 -6.648 -7.824 1.169 1.00 8.00 C ATOM 378 C7 DT A 12 -6.427 -7.041 -0.100 1.00 8.00 C ATOM 379 C6 DT A 12 -7.290 -7.251 2.215 1.00 8.00 C ATOM 0 H5' DT A 12 -11.714 -6.927 2.729 1.00 8.00 H new ATOM 0 H5'' DT A 12 -11.495 -5.199 2.920 1.00 8.00 H new ATOM 0 H4' DT A 12 -11.173 -6.404 4.959 1.00 8.00 H new ATOM 0 H3' DT A 12 -9.469 -4.373 4.152 1.00 8.00 H new ATOM 0 H2' DT A 12 -7.386 -5.440 3.979 1.00 8.00 H new ATOM 0 H2'' DT A 12 -7.492 -5.697 5.709 1.00 8.00 H new ATOM 0 H1' DT A 12 -7.890 -7.851 5.436 1.00 8.00 H new ATOM 0 H3 DT A 12 -6.030 -10.747 2.583 1.00 8.00 H new ATOM 0 H71 DT A 12 -5.511 -7.381 -0.583 1.00 8.00 H new ATOM 0 H72 DT A 12 -7.270 -7.194 -0.773 1.00 8.00 H new ATOM 0 H73 DT A 12 -6.340 -5.981 0.137 1.00 8.00 H new ATOM 0 H6 DT A 12 -7.650 -6.237 2.124 1.00 8.00 H new ATOM 392 P DT A 13 -9.604 -3.455 6.674 1.00 8.00 P ATOM 393 OP1 DT A 13 -10.197 -3.457 8.028 1.00 8.00 O ATOM 394 OP2 DT A 13 -10.109 -2.532 5.642 1.00 8.00 O ATOM 395 O5' DT A 13 -8.013 -3.211 6.797 1.00 8.00 O ATOM 396 C5' DT A 13 -7.276 -3.682 7.911 1.00 8.00 C ATOM 397 C4' DT A 13 -5.846 -3.128 7.938 1.00 8.00 C ATOM 398 O4' DT A 13 -5.132 -3.619 6.820 1.00 8.00 O ATOM 399 C3' DT A 13 -5.762 -1.585 7.933 1.00 8.00 C ATOM 400 O3' DT A 13 -4.709 -1.042 8.718 1.00 8.00 O ATOM 401 C2' DT A 13 -5.310 -1.352 6.504 1.00 8.00 C ATOM 402 C1' DT A 13 -4.381 -2.526 6.345 1.00 8.00 C ATOM 403 N1 DT A 13 -3.792 -2.753 5.021 1.00 8.00 N ATOM 404 C2 DT A 13 -2.456 -2.415 4.795 1.00 8.00 C ATOM 405 O2 DT A 13 -1.753 -1.810 5.595 1.00 8.00 O ATOM 406 N3 DT A 13 -1.905 -2.841 3.609 1.00 8.00 N ATOM 407 C4 DT A 13 -2.529 -3.656 2.686 1.00 8.00 C ATOM 408 O4 DT A 13 -1.914 -3.999 1.684 1.00 8.00 O ATOM 409 C5 DT A 13 -3.894 -4.037 3.038 1.00 8.00 C ATOM 410 C7 DT A 13 -4.641 -5.006 2.160 1.00 8.00 C ATOM 411 C6 DT A 13 -4.480 -3.553 4.166 1.00 8.00 C ATOM 0 H5' DT A 13 -7.241 -4.771 7.887 1.00 8.00 H new ATOM 0 H5'' DT A 13 -7.790 -3.400 8.830 1.00 8.00 H new ATOM 0 H4' DT A 13 -5.413 -3.465 8.880 1.00 8.00 H new ATOM 0 H3' DT A 13 -6.692 -1.148 8.298 1.00 8.00 H new ATOM 0 H2' DT A 13 -6.137 -1.373 5.794 1.00 8.00 H new ATOM 0 H2'' DT A 13 -4.803 -0.396 6.375 1.00 8.00 H new ATOM 0 H1' DT A 13 -3.466 -2.342 6.907 1.00 8.00 H new ATOM 0 H3 DT A 13 -0.958 -2.529 3.394 1.00 8.00 H new ATOM 0 H71 DT A 13 -4.297 -4.904 1.131 1.00 8.00 H new ATOM 0 H72 DT A 13 -4.459 -6.024 2.505 1.00 8.00 H new ATOM 0 H73 DT A 13 -5.709 -4.792 2.208 1.00 8.00 H new ATOM 0 H6 DT A 13 -5.506 -3.808 4.385 1.00 8.00 H new ATOM 424 P DG A 14 -4.874 -0.592 10.253 1.00 8.00 P ATOM 425 OP1 DG A 14 -4.456 -1.733 11.092 1.00 8.00 O ATOM 426 OP2 DG A 14 -6.213 0.012 10.427 1.00 8.00 O ATOM 427 O5' DG A 14 -3.754 0.563 10.394 1.00 8.00 O ATOM 428 C5' DG A 14 -3.870 1.814 9.740 1.00 8.00 C ATOM 429 C4' DG A 14 -2.517 2.531 9.755 1.00 8.00 C ATOM 430 O4' DG A 14 -1.660 1.946 8.796 1.00 8.00 O ATOM 431 C3' DG A 14 -2.626 4.025 9.434 1.00 8.00 C ATOM 432 O3' DG A 14 -1.869 4.733 10.403 1.00 8.00 O ATOM 433 C2' DG A 14 -1.945 4.085 8.078 1.00 8.00 C ATOM 434 C1' DG A 14 -0.911 3.000 8.260 1.00 8.00 C ATOM 435 N9 DG A 14 -0.273 2.622 6.993 1.00 8.00 N ATOM 436 C8 DG A 14 1.023 2.875 6.657 1.00 8.00 C ATOM 437 N7 DG A 14 1.407 2.407 5.503 1.00 8.00 N ATOM 438 C5 DG A 14 0.221 1.841 5.032 1.00 8.00 C ATOM 439 C6 DG A 14 -0.034 1.203 3.765 1.00 8.00 C ATOM 440 O6 DG A 14 0.755 1.009 2.832 1.00 8.00 O ATOM 441 N1 DG A 14 -1.353 0.801 3.592 1.00 8.00 N ATOM 442 C2 DG A 14 -2.334 1.029 4.515 1.00 8.00 C ATOM 443 N2 DG A 14 -3.571 0.727 4.171 1.00 8.00 N ATOM 444 N3 DG A 14 -2.134 1.624 5.694 1.00 8.00 N ATOM 445 C4 DG A 14 -0.828 1.989 5.906 1.00 8.00 C ATOM 0 H5' DG A 14 -4.623 2.426 10.236 1.00 8.00 H new ATOM 0 H5'' DG A 14 -4.204 1.669 8.713 1.00 8.00 H new ATOM 0 H4' DG A 14 -2.125 2.426 10.767 1.00 8.00 H new ATOM 0 H3' DG A 14 -3.633 4.443 9.434 1.00 8.00 H new ATOM 0 H2' DG A 14 -2.630 3.875 7.257 1.00 8.00 H new ATOM 0 H2'' DG A 14 -1.498 5.059 7.878 1.00 8.00 H new ATOM 0 H1' DG A 14 -0.081 3.309 8.895 1.00 8.00 H new ATOM 0 H8 DG A 14 1.688 3.427 7.304 1.00 8.00 H new ATOM 0 H1 DG A 14 -1.601 0.311 2.733 1.00 8.00 H new ATOM 0 H21 DG A 14 -4.335 0.881 4.829 1.00 8.00 H new ATOM 0 H22 DG A 14 -3.763 0.340 3.247 1.00 8.00 H new ATOM 457 P DG A 15 -1.834 6.344 10.484 1.00 8.00 P ATOM 458 OP1 DG A 15 -1.311 6.701 11.817 1.00 8.00 O ATOM 459 OP2 DG A 15 -3.144 6.855 10.030 1.00 8.00 O ATOM 460 O5' DG A 15 -0.723 6.773 9.387 1.00 8.00 O ATOM 461 C5' DG A 15 0.654 6.499 9.587 1.00 8.00 C ATOM 462 C4' DG A 15 1.527 6.919 8.401 1.00 8.00 C ATOM 463 O4' DG A 15 1.346 5.997 7.340 1.00 8.00 O ATOM 464 C3' DG A 15 1.224 8.333 7.871 1.00 8.00 C ATOM 465 O3' DG A 15 2.409 9.025 7.516 1.00 8.00 O ATOM 466 C2' DG A 15 0.458 8.046 6.595 1.00 8.00 C ATOM 467 C1' DG A 15 1.144 6.753 6.167 1.00 8.00 C ATOM 468 N9 DG A 15 0.456 5.961 5.148 1.00 8.00 N ATOM 469 C8 DG A 15 -0.882 5.733 4.997 1.00 8.00 C ATOM 470 N7 DG A 15 -1.219 5.036 3.950 1.00 8.00 N ATOM 471 C5 DG A 15 0.026 4.814 3.367 1.00 8.00 C ATOM 472 C6 DG A 15 0.341 4.121 2.149 1.00 8.00 C ATOM 473 O6 DG A 15 -0.435 3.546 1.379 1.00 8.00 O ATOM 474 N1 DG A 15 1.693 4.124 1.837 1.00 8.00 N ATOM 475 C2 DG A 15 2.652 4.696 2.620 1.00 8.00 C ATOM 476 N2 DG A 15 3.904 4.611 2.216 1.00 8.00 N ATOM 477 N3 DG A 15 2.394 5.338 3.764 1.00 8.00 N ATOM 478 C4 DG A 15 1.060 5.367 4.075 1.00 8.00 C ATOM 0 H5' DG A 15 0.784 5.432 9.766 1.00 8.00 H new ATOM 0 H5'' DG A 15 0.995 7.017 10.483 1.00 8.00 H new ATOM 0 H4' DG A 15 2.554 6.927 8.766 1.00 8.00 H new ATOM 0 H3' DG A 15 0.704 8.944 8.609 1.00 8.00 H new ATOM 0 H2' DG A 15 -0.610 7.914 6.769 1.00 8.00 H new ATOM 0 H2'' DG A 15 0.565 8.840 5.856 1.00 8.00 H new ATOM 0 HO3' DG A 15 2.179 9.917 7.182 1.00 8.00 H new ATOM 0 H1' DG A 15 2.074 7.028 5.669 1.00 8.00 H new ATOM 0 H8 DG A 15 -1.612 6.106 5.700 1.00 8.00 H new ATOM 0 H1 DG A 15 1.987 3.672 0.971 1.00 8.00 H new ATOM 0 H21 DG A 15 4.649 5.026 2.775 1.00 8.00 H new ATOM 0 H22 DG A 15 4.127 4.130 1.345 1.00 8.00 H new TER 491 DG A 15 HETATM 492 C4 1CF A 101 5.089 7.917 -0.158 1.00 8.00 C HETATM 493 C5 1CF A 101 4.586 7.355 -1.504 1.00 8.00 C HETATM 494 C6 1CF A 101 3.270 6.587 -1.445 1.00 8.00 C HETATM 495 C11 1CF A 101 8.868 6.164 -5.139 1.00 8.00 C HETATM 496 C12 1CF A 101 8.831 6.737 -3.732 1.00 8.00 C HETATM 497 C3 1CF A 101 6.407 8.654 -0.437 1.00 8.00 C HETATM 498 O11 1CF A 101 10.071 5.477 -5.367 1.00 8.00 O HETATM 499 C1 1CF A 101 6.868 7.097 -2.367 1.00 8.00 C HETATM 500 C2 1CF A 101 7.440 7.691 -1.069 1.00 8.00 C HETATM 501 O2 1CF A 101 8.636 8.402 -1.436 1.00 8.00 O HETATM 502 O3 1CF A 101 6.910 9.268 0.771 1.00 8.00 O HETATM 503 O4 1CF A 101 5.330 6.855 0.795 1.00 8.00 O HETATM 504 O5 1CF A 101 5.592 6.440 -2.062 1.00 8.00 O HETATM 505 O1 1CF A 101 7.798 6.138 -2.963 1.00 8.00 O