USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 253 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl 150:sc= -1.3 (180deg=-1.3) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.623 (180deg=-1.05) USER MOD Single : A 11 DC O3' : rot 180:sc= 0 USER MOD Single : B 12 DG O5' : rot 38:sc= 0.0162 USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 19 DT C7 :methyl 150:sc= -0.375 (180deg=-0.375) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 7.499 -14.155 0.341 1.00 0.00 O ATOM 2 C5' DC A 1 7.804 -15.117 -0.648 1.00 0.00 C ATOM 3 C4' DC A 1 6.919 -14.939 -1.887 1.00 0.00 C ATOM 4 O4' DC A 1 5.575 -15.121 -1.472 1.00 0.00 O ATOM 5 C3' DC A 1 7.034 -13.530 -2.487 1.00 0.00 C ATOM 6 O3' DC A 1 7.135 -13.648 -3.897 1.00 0.00 O ATOM 7 C2' DC A 1 5.719 -12.885 -2.055 1.00 0.00 C ATOM 8 C1' DC A 1 4.793 -14.098 -2.055 1.00 0.00 C ATOM 9 N1 DC A 1 3.579 -13.903 -1.212 1.00 0.00 N ATOM 10 C2 DC A 1 2.321 -13.930 -1.819 1.00 0.00 C ATOM 11 O2 DC A 1 2.202 -14.042 -3.037 1.00 0.00 O ATOM 12 N3 DC A 1 1.212 -13.829 -1.029 1.00 0.00 N ATOM 13 C4 DC A 1 1.318 -13.664 0.298 1.00 0.00 C ATOM 14 N4 DC A 1 0.202 -13.574 1.027 1.00 0.00 N ATOM 15 C5 DC A 1 2.600 -13.611 0.941 1.00 0.00 C ATOM 16 C6 DC A 1 3.691 -13.738 0.149 1.00 0.00 C ATOM 0 H5' DC A 1 7.666 -16.118 -0.240 1.00 0.00 H new ATOM 0 H5'' DC A 1 8.853 -15.031 -0.932 1.00 0.00 H new ATOM 0 H4' DC A 1 7.234 -15.657 -2.644 1.00 0.00 H new ATOM 0 H3' DC A 1 7.900 -12.951 -2.166 1.00 0.00 H new ATOM 0 H2' DC A 1 5.790 -12.419 -1.072 1.00 0.00 H new ATOM 0 H2'' DC A 1 5.389 -12.113 -2.750 1.00 0.00 H new ATOM 0 HO5' DC A 1 8.077 -14.293 1.121 1.00 0.00 H new ATOM 0 H1' DC A 1 4.436 -14.306 -3.064 1.00 0.00 H new ATOM 0 H41 DC A 1 0.262 -13.448 2.037 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.710 -13.631 0.573 1.00 0.00 H new ATOM 0 H5 DC A 1 2.691 -13.476 2.009 1.00 0.00 H new ATOM 0 H6 DC A 1 4.673 -13.709 0.597 1.00 0.00 H new ATOM 29 P DG A 2 7.380 -12.370 -4.856 1.00 0.00 P ATOM 30 OP1 DG A 2 8.163 -12.823 -6.028 1.00 0.00 O ATOM 31 OP2 DG A 2 7.885 -11.253 -4.028 1.00 0.00 O ATOM 32 O5' DG A 2 5.894 -11.986 -5.357 1.00 0.00 O ATOM 33 C5' DG A 2 5.230 -12.738 -6.356 1.00 0.00 C ATOM 34 C4' DG A 2 3.903 -12.076 -6.747 1.00 0.00 C ATOM 35 O4' DG A 2 3.011 -12.185 -5.649 1.00 0.00 O ATOM 36 C3' DG A 2 4.069 -10.583 -7.070 1.00 0.00 C ATOM 37 O3' DG A 2 3.292 -10.332 -8.230 1.00 0.00 O ATOM 38 C2' DG A 2 3.497 -9.949 -5.803 1.00 0.00 C ATOM 39 C1' DG A 2 2.405 -10.922 -5.475 1.00 0.00 C ATOM 40 N9 DG A 2 1.841 -10.840 -4.115 1.00 0.00 N ATOM 41 C8 DG A 2 2.481 -10.587 -2.933 1.00 0.00 C ATOM 42 N7 DG A 2 1.720 -10.697 -1.879 1.00 0.00 N ATOM 43 C5 DG A 2 0.470 -11.014 -2.406 1.00 0.00 C ATOM 44 C6 DG A 2 -0.780 -11.228 -1.751 1.00 0.00 C ATOM 45 O6 DG A 2 -1.000 -11.290 -0.545 1.00 0.00 O ATOM 46 N1 DG A 2 -1.835 -11.378 -2.648 1.00 0.00 N ATOM 47 C2 DG A 2 -1.695 -11.368 -4.024 1.00 0.00 C ATOM 48 N2 DG A 2 -2.803 -11.514 -4.757 1.00 0.00 N ATOM 49 N3 DG A 2 -0.512 -11.225 -4.641 1.00 0.00 N ATOM 50 C4 DG A 2 0.525 -11.047 -3.779 1.00 0.00 C ATOM 0 H5' DG A 2 5.044 -13.749 -5.993 1.00 0.00 H new ATOM 0 H5'' DG A 2 5.869 -12.828 -7.234 1.00 0.00 H new ATOM 0 H4' DG A 2 3.528 -12.580 -7.638 1.00 0.00 H new ATOM 0 H3' DG A 2 5.071 -10.213 -7.286 1.00 0.00 H new ATOM 0 H2' DG A 2 4.238 -9.874 -5.007 1.00 0.00 H new ATOM 0 H2'' DG A 2 3.116 -8.943 -5.979 1.00 0.00 H new ATOM 0 H1' DG A 2 1.549 -10.712 -6.116 1.00 0.00 H new ATOM 0 H8 DG A 2 3.526 -10.319 -2.877 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.772 -11.503 -2.265 1.00 0.00 H new ATOM 0 H21 DG A 2 -2.745 -11.512 -5.775 1.00 0.00 H new ATOM 0 H22 DG A 2 -3.707 -11.627 -4.298 1.00 0.00 H new ATOM 62 P DC A 3 3.060 -8.864 -8.863 1.00 0.00 P ATOM 63 OP1 DC A 3 3.281 -8.951 -10.323 1.00 0.00 O ATOM 64 OP2 DC A 3 3.802 -7.862 -8.066 1.00 0.00 O ATOM 65 O5' DC A 3 1.480 -8.656 -8.601 1.00 0.00 O ATOM 66 C5' DC A 3 0.525 -9.506 -9.214 1.00 0.00 C ATOM 67 C4' DC A 3 -0.913 -9.052 -8.937 1.00 0.00 C ATOM 68 O4' DC A 3 -1.155 -9.171 -7.544 1.00 0.00 O ATOM 69 C3' DC A 3 -1.135 -7.588 -9.328 1.00 0.00 C ATOM 70 O3' DC A 3 -2.420 -7.504 -9.926 1.00 0.00 O ATOM 71 C2' DC A 3 -1.061 -6.880 -7.977 1.00 0.00 C ATOM 72 C1' DC A 3 -1.654 -7.941 -7.047 1.00 0.00 C ATOM 73 N1 DC A 3 -1.197 -7.875 -5.630 1.00 0.00 N ATOM 74 C2 DC A 3 -2.116 -8.136 -4.608 1.00 0.00 C ATOM 75 O2 DC A 3 -3.301 -8.350 -4.854 1.00 0.00 O ATOM 76 N3 DC A 3 -1.675 -8.150 -3.316 1.00 0.00 N ATOM 77 C4 DC A 3 -0.384 -7.933 -3.026 1.00 0.00 C ATOM 78 N4 DC A 3 0.005 -7.953 -1.748 1.00 0.00 N ATOM 79 C5 DC A 3 0.588 -7.733 -4.061 1.00 0.00 C ATOM 80 C6 DC A 3 0.135 -7.714 -5.336 1.00 0.00 C ATOM 0 H5' DC A 3 0.660 -10.524 -8.849 1.00 0.00 H new ATOM 0 H5'' DC A 3 0.697 -9.527 -10.290 1.00 0.00 H new ATOM 0 H4' DC A 3 -1.586 -9.675 -9.527 1.00 0.00 H new ATOM 0 H3' DC A 3 -0.430 -7.159 -10.040 1.00 0.00 H new ATOM 0 H2' DC A 3 -0.038 -6.621 -7.705 1.00 0.00 H new ATOM 0 H2'' DC A 3 -1.638 -5.955 -7.966 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.736 -7.806 -7.039 1.00 0.00 H new ATOM 0 H41 DC A 3 0.983 -7.790 -1.510 1.00 0.00 H new ATOM 0 H42 DC A 3 -0.676 -8.131 -1.010 1.00 0.00 H new ATOM 0 H5 DC A 3 1.636 -7.603 -3.833 1.00 0.00 H new ATOM 0 H6 DC A 3 0.838 -7.569 -6.143 1.00 0.00 H new ATOM 92 P DA A 4 -3.063 -6.113 -10.439 1.00 0.00 P ATOM 93 OP1 DA A 4 -4.013 -6.418 -11.531 1.00 0.00 O ATOM 94 OP2 DA A 4 -1.969 -5.141 -10.664 1.00 0.00 O ATOM 95 O5' DA A 4 -3.908 -5.634 -9.150 1.00 0.00 O ATOM 96 C5' DA A 4 -5.118 -6.273 -8.790 1.00 0.00 C ATOM 97 C4' DA A 4 -5.683 -5.658 -7.508 1.00 0.00 C ATOM 98 O4' DA A 4 -4.924 -6.032 -6.383 1.00 0.00 O ATOM 99 C3' DA A 4 -5.864 -4.140 -7.547 1.00 0.00 C ATOM 100 O3' DA A 4 -7.235 -3.791 -7.389 1.00 0.00 O ATOM 101 C2' DA A 4 -5.032 -3.825 -6.345 1.00 0.00 C ATOM 102 C1' DA A 4 -5.159 -5.016 -5.439 1.00 0.00 C ATOM 103 N9 DA A 4 -4.058 -5.075 -4.481 1.00 0.00 N ATOM 104 C8 DA A 4 -2.748 -5.000 -4.810 1.00 0.00 C ATOM 105 N7 DA A 4 -1.927 -5.060 -3.800 1.00 0.00 N ATOM 106 C5 DA A 4 -2.786 -5.205 -2.712 1.00 0.00 C ATOM 107 C6 DA A 4 -2.567 -5.345 -1.328 1.00 0.00 C ATOM 108 N6 DA A 4 -1.345 -5.387 -0.790 1.00 0.00 N ATOM 109 N1 DA A 4 -3.637 -5.447 -0.519 1.00 0.00 N ATOM 110 C2 DA A 4 -4.859 -5.424 -1.046 1.00 0.00 C ATOM 111 N3 DA A 4 -5.199 -5.313 -2.327 1.00 0.00 N ATOM 112 C4 DA A 4 -4.098 -5.209 -3.118 1.00 0.00 C ATOM 0 H5' DA A 4 -4.945 -7.339 -8.644 1.00 0.00 H new ATOM 0 H5'' DA A 4 -5.843 -6.176 -9.598 1.00 0.00 H new ATOM 0 H4' DA A 4 -6.688 -6.071 -7.426 1.00 0.00 H new ATOM 0 H3' DA A 4 -5.583 -3.618 -8.462 1.00 0.00 H new ATOM 0 H2' DA A 4 -3.992 -3.654 -6.623 1.00 0.00 H new ATOM 0 H2'' DA A 4 -5.384 -2.919 -5.852 1.00 0.00 H new ATOM 0 H1' DA A 4 -6.087 -5.044 -4.868 1.00 0.00 H new ATOM 0 H8 DA A 4 -2.409 -4.898 -5.830 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.235 -5.490 0.219 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.522 -5.316 -1.388 1.00 0.00 H new ATOM 0 H2 DA A 4 -5.677 -5.506 -0.346 1.00 0.00 H new ATOM 124 P DT A 5 -7.743 -2.261 -7.189 1.00 0.00 P ATOM 125 OP1 DT A 5 -9.125 -2.169 -7.709 1.00 0.00 O ATOM 126 OP2 DT A 5 -6.702 -1.351 -7.715 1.00 0.00 O ATOM 127 O5' DT A 5 -7.799 -2.077 -5.578 1.00 0.00 O ATOM 128 C5' DT A 5 -8.784 -2.736 -4.804 1.00 0.00 C ATOM 129 C4' DT A 5 -8.647 -2.452 -3.301 1.00 0.00 C ATOM 130 O4' DT A 5 -7.423 -2.943 -2.822 1.00 0.00 O ATOM 131 C3' DT A 5 -8.783 -0.981 -2.884 1.00 0.00 C ATOM 132 O3' DT A 5 -9.904 -0.886 -2.014 1.00 0.00 O ATOM 133 C2' DT A 5 -7.469 -0.705 -2.165 1.00 0.00 C ATOM 134 C1' DT A 5 -7.015 -2.102 -1.762 1.00 0.00 C ATOM 135 N1 DT A 5 -5.543 -2.152 -1.799 1.00 0.00 N ATOM 136 C2 DT A 5 -4.837 -2.292 -0.615 1.00 0.00 C ATOM 137 O2 DT A 5 -5.373 -2.570 0.454 1.00 0.00 O ATOM 138 N3 DT A 5 -3.471 -2.091 -0.708 1.00 0.00 N ATOM 139 C4 DT A 5 -2.743 -1.961 -1.881 1.00 0.00 C ATOM 140 O4 DT A 5 -1.514 -1.938 -1.833 1.00 0.00 O ATOM 141 C5 DT A 5 -3.559 -1.859 -3.084 1.00 0.00 C ATOM 142 C7 DT A 5 -2.875 -1.669 -4.426 1.00 0.00 C ATOM 143 C6 DT A 5 -4.916 -1.937 -2.998 1.00 0.00 C ATOM 0 H5' DT A 5 -8.715 -3.810 -4.974 1.00 0.00 H new ATOM 0 H5'' DT A 5 -9.773 -2.423 -5.140 1.00 0.00 H new ATOM 0 H4' DT A 5 -9.496 -2.970 -2.854 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.946 -0.271 -3.695 1.00 0.00 H new ATOM 0 H2' DT A 5 -6.745 -0.215 -2.816 1.00 0.00 H new ATOM 0 H2'' DT A 5 -7.608 -0.058 -1.299 1.00 0.00 H new ATOM 0 H1' DT A 5 -7.404 -2.374 -0.781 1.00 0.00 H new ATOM 0 H3 DT A 5 -2.951 -2.033 0.168 1.00 0.00 H new ATOM 0 H71 DT A 5 -3.480 -2.124 -5.210 1.00 0.00 H new ATOM 0 H72 DT A 5 -2.760 -0.604 -4.628 1.00 0.00 H new ATOM 0 H73 DT A 5 -1.893 -2.142 -4.404 1.00 0.00 H new ATOM 0 H6 DT A 5 -5.510 -1.827 -3.893 1.00 0.00 H new ATOM 156 P DA A 6 -10.354 0.486 -1.281 1.00 0.00 P ATOM 157 OP1 DA A 6 -11.749 0.316 -0.818 1.00 0.00 O ATOM 158 OP2 DA A 6 -10.012 1.618 -2.170 1.00 0.00 O ATOM 159 O5' DA A 6 -9.401 0.566 0.025 1.00 0.00 O ATOM 160 C5' DA A 6 -9.467 -0.390 1.068 1.00 0.00 C ATOM 161 C4' DA A 6 -8.462 -0.067 2.188 1.00 0.00 C ATOM 162 O4' DA A 6 -7.181 -0.539 1.810 1.00 0.00 O ATOM 163 C3' DA A 6 -8.333 1.433 2.521 1.00 0.00 C ATOM 164 O3' DA A 6 -8.993 1.722 3.743 1.00 0.00 O ATOM 165 C2' DA A 6 -6.832 1.534 2.598 1.00 0.00 C ATOM 166 C1' DA A 6 -6.241 0.168 2.593 1.00 0.00 C ATOM 167 N9 DA A 6 -4.964 0.269 1.852 1.00 0.00 N ATOM 168 C8 DA A 6 -4.843 0.504 0.520 1.00 0.00 C ATOM 169 N7 DA A 6 -3.640 0.654 0.062 1.00 0.00 N ATOM 170 C5 DA A 6 -2.885 0.502 1.207 1.00 0.00 C ATOM 171 C6 DA A 6 -1.501 0.422 1.410 1.00 0.00 C ATOM 172 N6 DA A 6 -0.638 0.385 0.390 1.00 0.00 N ATOM 173 N1 DA A 6 -1.058 0.303 2.672 1.00 0.00 N ATOM 174 C2 DA A 6 -1.947 0.262 3.662 1.00 0.00 C ATOM 175 N3 DA A 6 -3.272 0.289 3.606 1.00 0.00 N ATOM 176 C4 DA A 6 -3.685 0.392 2.322 1.00 0.00 C ATOM 0 H5' DA A 6 -9.262 -1.383 0.668 1.00 0.00 H new ATOM 0 H5'' DA A 6 -10.477 -0.414 1.478 1.00 0.00 H new ATOM 0 H4' DA A 6 -8.846 -0.560 3.081 1.00 0.00 H new ATOM 0 H3' DA A 6 -8.782 2.138 1.822 1.00 0.00 H new ATOM 0 H2' DA A 6 -6.452 2.109 1.754 1.00 0.00 H new ATOM 0 H2'' DA A 6 -6.539 2.065 3.503 1.00 0.00 H new ATOM 0 H1' DA A 6 -6.056 -0.282 3.568 1.00 0.00 H new ATOM 0 H8 DA A 6 -5.707 0.563 -0.126 1.00 0.00 H new ATOM 0 H61 DA A 6 0.364 0.327 0.572 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.981 0.415 -0.570 1.00 0.00 H new ATOM 0 H2 DA A 6 -1.528 0.197 4.656 1.00 0.00 H new ATOM 188 P DT A 7 -8.986 3.193 4.423 1.00 0.00 P ATOM 189 OP1 DT A 7 -9.990 3.195 5.510 1.00 0.00 O ATOM 190 OP2 DT A 7 -9.068 4.207 3.348 1.00 0.00 O ATOM 191 O5' DT A 7 -7.524 3.300 5.099 1.00 0.00 O ATOM 192 C5' DT A 7 -7.074 2.344 6.044 1.00 0.00 C ATOM 193 C4' DT A 7 -5.623 2.614 6.455 1.00 0.00 C ATOM 194 O4' DT A 7 -4.795 2.390 5.323 1.00 0.00 O ATOM 195 C3' DT A 7 -5.423 4.066 6.904 1.00 0.00 C ATOM 196 O3' DT A 7 -4.838 4.077 8.196 1.00 0.00 O ATOM 197 C2' DT A 7 -4.488 4.609 5.826 1.00 0.00 C ATOM 198 C1' DT A 7 -3.767 3.360 5.330 1.00 0.00 C ATOM 199 N1 DT A 7 -3.236 3.525 3.960 1.00 0.00 N ATOM 200 C2 DT A 7 -1.867 3.387 3.730 1.00 0.00 C ATOM 201 O2 DT A 7 -1.038 3.231 4.624 1.00 0.00 O ATOM 202 N3 DT A 7 -1.464 3.435 2.405 1.00 0.00 N ATOM 203 C4 DT A 7 -2.289 3.648 1.311 1.00 0.00 C ATOM 204 O4 DT A 7 -1.803 3.653 0.182 1.00 0.00 O ATOM 205 C5 DT A 7 -3.692 3.846 1.649 1.00 0.00 C ATOM 206 C7 DT A 7 -4.714 4.100 0.566 1.00 0.00 C ATOM 207 C6 DT A 7 -4.106 3.778 2.937 1.00 0.00 C ATOM 0 H5' DT A 7 -7.155 1.343 5.620 1.00 0.00 H new ATOM 0 H5'' DT A 7 -7.715 2.369 6.925 1.00 0.00 H new ATOM 0 H4' DT A 7 -5.372 1.954 7.286 1.00 0.00 H new ATOM 0 H3' DT A 7 -6.333 4.660 6.994 1.00 0.00 H new ATOM 0 H2' DT A 7 -5.040 5.101 5.025 1.00 0.00 H new ATOM 0 H2'' DT A 7 -3.791 5.343 6.230 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.906 3.110 5.950 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.470 3.302 2.217 1.00 0.00 H new ATOM 0 H71 DT A 7 -4.239 4.614 -0.269 1.00 0.00 H new ATOM 0 H72 DT A 7 -5.123 3.150 0.222 1.00 0.00 H new ATOM 0 H73 DT A 7 -5.519 4.719 0.963 1.00 0.00 H new ATOM 0 H6 DT A 7 -5.152 3.928 3.161 1.00 0.00 H new ATOM 220 P DA A 8 -4.590 5.446 9.022 1.00 0.00 P ATOM 221 OP1 DA A 8 -4.584 5.118 10.465 1.00 0.00 O ATOM 222 OP2 DA A 8 -5.511 6.485 8.510 1.00 0.00 O ATOM 223 O5' DA A 8 -3.090 5.852 8.592 1.00 0.00 O ATOM 224 C5' DA A 8 -1.971 5.152 9.097 1.00 0.00 C ATOM 225 C4' DA A 8 -0.675 5.689 8.487 1.00 0.00 C ATOM 226 O4' DA A 8 -0.607 5.338 7.116 1.00 0.00 O ATOM 227 C3' DA A 8 -0.534 7.216 8.582 1.00 0.00 C ATOM 228 O3' DA A 8 0.665 7.527 9.275 1.00 0.00 O ATOM 229 C2' DA A 8 -0.511 7.586 7.125 1.00 0.00 C ATOM 230 C1' DA A 8 0.108 6.381 6.495 1.00 0.00 C ATOM 231 N9 DA A 8 -0.124 6.356 5.044 1.00 0.00 N ATOM 232 C8 DA A 8 -1.305 6.555 4.396 1.00 0.00 C ATOM 233 N7 DA A 8 -1.240 6.438 3.099 1.00 0.00 N ATOM 234 C5 DA A 8 0.106 6.162 2.875 1.00 0.00 C ATOM 235 C6 DA A 8 0.856 5.897 1.711 1.00 0.00 C ATOM 236 N6 DA A 8 0.307 5.773 0.495 1.00 0.00 N ATOM 237 N1 DA A 8 2.187 5.742 1.838 1.00 0.00 N ATOM 238 C2 DA A 8 2.744 5.808 3.046 1.00 0.00 C ATOM 239 N3 DA A 8 2.145 5.997 4.216 1.00 0.00 N ATOM 240 C4 DA A 8 0.806 6.166 4.057 1.00 0.00 C ATOM 0 H5' DA A 8 -2.070 4.090 8.875 1.00 0.00 H new ATOM 0 H5'' DA A 8 -1.935 5.249 10.182 1.00 0.00 H new ATOM 0 H4' DA A 8 0.132 5.238 9.065 1.00 0.00 H new ATOM 0 H3' DA A 8 -1.310 7.750 9.130 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.512 7.777 6.739 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.077 8.486 6.944 1.00 0.00 H new ATOM 0 H1' DA A 8 1.190 6.332 6.620 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.222 6.791 4.915 1.00 0.00 H new ATOM 0 H61 DA A 8 0.898 5.581 -0.314 1.00 0.00 H new ATOM 0 H62 DA A 8 -0.702 5.871 0.378 1.00 0.00 H new ATOM 0 H2 DA A 8 3.817 5.693 3.078 1.00 0.00 H new ATOM 252 P DG A 9 1.127 9.044 9.600 1.00 0.00 P ATOM 253 OP1 DG A 9 1.536 9.107 11.021 1.00 0.00 O ATOM 254 OP2 DG A 9 0.102 9.982 9.089 1.00 0.00 O ATOM 255 O5' DG A 9 2.445 9.204 8.685 1.00 0.00 O ATOM 256 C5' DG A 9 3.604 8.433 8.933 1.00 0.00 C ATOM 257 C4' DG A 9 4.811 8.918 8.120 1.00 0.00 C ATOM 258 O4' DG A 9 4.569 8.694 6.740 1.00 0.00 O ATOM 259 C3' DG A 9 5.085 10.412 8.297 1.00 0.00 C ATOM 260 O3' DG A 9 6.498 10.535 8.227 1.00 0.00 O ATOM 261 C2' DG A 9 4.320 11.020 7.123 1.00 0.00 C ATOM 262 C1' DG A 9 4.440 9.932 6.058 1.00 0.00 C ATOM 263 N9 DG A 9 3.291 9.747 5.142 1.00 0.00 N ATOM 264 C8 DG A 9 1.952 9.975 5.342 1.00 0.00 C ATOM 265 N7 DG A 9 1.213 9.746 4.290 1.00 0.00 N ATOM 266 C5 DG A 9 2.123 9.335 3.320 1.00 0.00 C ATOM 267 C6 DG A 9 1.927 9.012 1.941 1.00 0.00 C ATOM 268 O6 DG A 9 0.872 8.970 1.315 1.00 0.00 O ATOM 269 N1 DG A 9 3.122 8.720 1.283 1.00 0.00 N ATOM 270 C2 DG A 9 4.360 8.692 1.894 1.00 0.00 C ATOM 271 N2 DG A 9 5.417 8.411 1.126 1.00 0.00 N ATOM 272 N3 DG A 9 4.543 8.978 3.192 1.00 0.00 N ATOM 273 C4 DG A 9 3.392 9.299 3.845 1.00 0.00 C ATOM 0 H5' DG A 9 3.402 7.389 8.692 1.00 0.00 H new ATOM 0 H5'' DG A 9 3.844 8.474 9.995 1.00 0.00 H new ATOM 0 H4' DG A 9 5.674 8.360 8.483 1.00 0.00 H new ATOM 0 H3' DG A 9 4.773 10.899 9.221 1.00 0.00 H new ATOM 0 H2' DG A 9 3.281 11.226 7.378 1.00 0.00 H new ATOM 0 H2'' DG A 9 4.761 11.961 6.794 1.00 0.00 H new ATOM 0 H1' DG A 9 5.282 10.246 5.441 1.00 0.00 H new ATOM 0 H8 DG A 9 1.547 10.313 6.284 1.00 0.00 H new ATOM 0 H1 DG A 9 3.078 8.514 0.285 1.00 0.00 H new ATOM 0 H21 DG A 9 6.351 8.380 1.535 1.00 0.00 H new ATOM 0 H22 DG A 9 5.290 8.228 0.131 1.00 0.00 H new ATOM 285 P DC A 10 7.298 11.929 8.067 1.00 0.00 P ATOM 286 OP1 DC A 10 8.565 11.820 8.824 1.00 0.00 O ATOM 287 OP2 DC A 10 6.378 13.057 8.332 1.00 0.00 O ATOM 288 O5' DC A 10 7.646 11.893 6.489 1.00 0.00 O ATOM 289 C5' DC A 10 8.435 10.845 5.950 1.00 0.00 C ATOM 290 C4' DC A 10 8.758 11.036 4.460 1.00 0.00 C ATOM 291 O4' DC A 10 7.567 10.704 3.781 1.00 0.00 O ATOM 292 C3' DC A 10 9.136 12.469 4.060 1.00 0.00 C ATOM 293 O3' DC A 10 10.536 12.632 3.880 1.00 0.00 O ATOM 294 C2' DC A 10 8.401 12.641 2.738 1.00 0.00 C ATOM 295 C1' DC A 10 7.486 11.448 2.585 1.00 0.00 C ATOM 296 N1 DC A 10 6.073 11.859 2.408 1.00 0.00 N ATOM 297 C2 DC A 10 5.528 11.843 1.125 1.00 0.00 C ATOM 298 O2 DC A 10 6.247 11.676 0.143 1.00 0.00 O ATOM 299 N3 DC A 10 4.181 12.015 0.984 1.00 0.00 N ATOM 300 C4 DC A 10 3.397 12.215 2.056 1.00 0.00 C ATOM 301 N4 DC A 10 2.077 12.333 1.880 1.00 0.00 N ATOM 302 C5 DC A 10 3.953 12.278 3.379 1.00 0.00 C ATOM 303 C6 DC A 10 5.285 12.115 3.500 1.00 0.00 C ATOM 0 H5' DC A 10 7.911 9.899 6.083 1.00 0.00 H new ATOM 0 H5'' DC A 10 9.367 10.775 6.511 1.00 0.00 H new ATOM 0 H4' DC A 10 9.624 10.421 4.216 1.00 0.00 H new ATOM 0 H3' DC A 10 8.870 13.201 4.822 1.00 0.00 H new ATOM 0 H2' DC A 10 7.829 13.569 2.732 1.00 0.00 H new ATOM 0 H2'' DC A 10 9.106 12.696 1.909 1.00 0.00 H new ATOM 0 H1' DC A 10 7.793 10.878 1.708 1.00 0.00 H new ATOM 0 H41 DC A 10 1.467 12.485 2.683 1.00 0.00 H new ATOM 0 H42 DC A 10 1.680 12.271 0.943 1.00 0.00 H new ATOM 0 H5 DC A 10 3.328 12.449 4.243 1.00 0.00 H new ATOM 0 H6 DC A 10 5.741 12.187 4.476 1.00 0.00 H new ATOM 315 P DC A 11 11.196 14.062 3.476 1.00 0.00 P ATOM 316 OP1 DC A 11 12.665 13.935 3.601 1.00 0.00 O ATOM 317 OP2 DC A 11 10.491 15.124 4.228 1.00 0.00 O ATOM 318 O5' DC A 11 10.850 14.264 1.905 1.00 0.00 O ATOM 319 C5' DC A 11 11.508 13.517 0.898 1.00 0.00 C ATOM 320 C4' DC A 11 10.883 13.752 -0.486 1.00 0.00 C ATOM 321 O4' DC A 11 9.538 13.335 -0.499 1.00 0.00 O ATOM 322 C3' DC A 11 10.931 15.191 -0.993 1.00 0.00 C ATOM 323 O3' DC A 11 12.137 15.448 -1.680 1.00 0.00 O ATOM 324 C2' DC A 11 9.741 15.207 -1.953 1.00 0.00 C ATOM 325 C1' DC A 11 8.847 14.031 -1.524 1.00 0.00 C ATOM 326 N1 DC A 11 7.587 14.496 -0.888 1.00 0.00 N ATOM 327 C2 DC A 11 6.366 14.344 -1.550 1.00 0.00 C ATOM 328 O2 DC A 11 6.310 13.914 -2.701 1.00 0.00 O ATOM 329 N3 DC A 11 5.223 14.686 -0.885 1.00 0.00 N ATOM 330 C4 DC A 11 5.265 15.175 0.365 1.00 0.00 C ATOM 331 N4 DC A 11 4.117 15.456 0.988 1.00 0.00 N ATOM 332 C5 DC A 11 6.513 15.380 1.044 1.00 0.00 C ATOM 333 C6 DC A 11 7.634 15.025 0.374 1.00 0.00 C ATOM 0 H5' DC A 11 11.461 12.456 1.143 1.00 0.00 H new ATOM 0 H5'' DC A 11 12.563 13.791 0.872 1.00 0.00 H new ATOM 0 H4' DC A 11 11.504 13.159 -1.158 1.00 0.00 H new ATOM 0 H3' DC A 11 10.886 15.945 -0.207 1.00 0.00 H new ATOM 0 H2' DC A 11 9.201 16.152 -1.892 1.00 0.00 H new ATOM 0 H2'' DC A 11 10.069 15.093 -2.986 1.00 0.00 H new ATOM 0 HO3' DC A 11 12.142 16.376 -1.996 1.00 0.00 H new ATOM 0 H1' DC A 11 8.623 13.435 -2.409 1.00 0.00 H new ATOM 0 H41 DC A 11 4.130 15.828 1.938 1.00 0.00 H new ATOM 0 H42 DC A 11 3.228 15.298 0.514 1.00 0.00 H new ATOM 0 H5 DC A 11 6.555 15.797 2.040 1.00 0.00 H new ATOM 0 H6 DC A 11 8.594 15.163 0.849 1.00 0.00 H new TER 346 DC A 11 ATOM 347 O5' DG B 12 -5.002 14.901 -5.214 1.00 0.00 O ATOM 348 C5' DG B 12 -4.486 15.497 -6.386 1.00 0.00 C ATOM 349 C4' DG B 12 -3.105 14.925 -6.722 1.00 0.00 C ATOM 350 O4' DG B 12 -2.257 15.193 -5.619 1.00 0.00 O ATOM 351 C3' DG B 12 -3.135 13.403 -6.926 1.00 0.00 C ATOM 352 O3' DG B 12 -2.597 13.108 -8.205 1.00 0.00 O ATOM 353 C2' DG B 12 -2.258 12.892 -5.784 1.00 0.00 C ATOM 354 C1' DG B 12 -1.385 14.094 -5.471 1.00 0.00 C ATOM 355 N9 DG B 12 -0.896 14.096 -4.074 1.00 0.00 N ATOM 356 C8 DG B 12 -1.633 14.147 -2.918 1.00 0.00 C ATOM 357 N7 DG B 12 -0.921 14.223 -1.830 1.00 0.00 N ATOM 358 C5 DG B 12 0.389 14.217 -2.292 1.00 0.00 C ATOM 359 C6 DG B 12 1.613 14.284 -1.563 1.00 0.00 C ATOM 360 O6 DG B 12 1.765 14.367 -0.347 1.00 0.00 O ATOM 361 N1 DG B 12 2.729 14.242 -2.393 1.00 0.00 N ATOM 362 C2 DG B 12 2.676 14.127 -3.770 1.00 0.00 C ATOM 363 N2 DG B 12 3.844 14.050 -4.416 1.00 0.00 N ATOM 364 N3 DG B 12 1.524 14.066 -4.459 1.00 0.00 N ATOM 365 C4 DG B 12 0.418 14.118 -3.664 1.00 0.00 C ATOM 0 H5' DG B 12 -4.415 16.576 -6.250 1.00 0.00 H new ATOM 0 H5'' DG B 12 -5.169 15.325 -7.218 1.00 0.00 H new ATOM 0 H4' DG B 12 -2.760 15.384 -7.648 1.00 0.00 H new ATOM 0 H3' DG B 12 -4.125 12.947 -6.904 1.00 0.00 H new ATOM 0 H2' DG B 12 -2.852 12.587 -4.922 1.00 0.00 H new ATOM 0 H2'' DG B 12 -1.665 12.028 -6.084 1.00 0.00 H new ATOM 0 HO5' DG B 12 -4.277 14.766 -4.569 1.00 0.00 H new ATOM 0 H1' DG B 12 -0.506 14.106 -6.116 1.00 0.00 H new ATOM 0 H8 DG B 12 -2.713 14.126 -2.911 1.00 0.00 H new ATOM 0 H1 DG B 12 3.649 14.300 -1.956 1.00 0.00 H new ATOM 0 H21 DG B 12 3.860 13.964 -5.432 1.00 0.00 H new ATOM 0 H22 DG B 12 4.719 14.077 -3.893 1.00 0.00 H new ATOM 378 P DG B 13 -2.514 11.602 -8.790 1.00 0.00 P ATOM 379 OP1 DG B 13 -2.544 11.683 -10.267 1.00 0.00 O ATOM 380 OP2 DG B 13 -3.506 10.765 -8.080 1.00 0.00 O ATOM 381 O5' DG B 13 -1.041 11.122 -8.342 1.00 0.00 O ATOM 382 C5' DG B 13 0.119 11.730 -8.873 1.00 0.00 C ATOM 383 C4' DG B 13 1.398 11.093 -8.317 1.00 0.00 C ATOM 384 O4' DG B 13 1.452 11.340 -6.920 1.00 0.00 O ATOM 385 C3' DG B 13 1.435 9.575 -8.514 1.00 0.00 C ATOM 386 O3' DG B 13 2.799 9.266 -8.755 1.00 0.00 O ATOM 387 C2' DG B 13 0.940 9.065 -7.160 1.00 0.00 C ATOM 388 C1' DG B 13 1.539 10.104 -6.231 1.00 0.00 C ATOM 389 N9 DG B 13 0.925 10.312 -4.901 1.00 0.00 N ATOM 390 C8 DG B 13 -0.380 10.216 -4.486 1.00 0.00 C ATOM 391 N7 DG B 13 -0.556 10.493 -3.222 1.00 0.00 N ATOM 392 C5 DG B 13 0.723 10.782 -2.756 1.00 0.00 C ATOM 393 C6 DG B 13 1.187 11.111 -1.444 1.00 0.00 C ATOM 394 O6 DG B 13 0.525 11.287 -0.424 1.00 0.00 O ATOM 395 N1 DG B 13 2.574 11.234 -1.384 1.00 0.00 N ATOM 396 C2 DG B 13 3.414 11.116 -2.475 1.00 0.00 C ATOM 397 N2 DG B 13 4.721 11.294 -2.275 1.00 0.00 N ATOM 398 N3 DG B 13 2.977 10.848 -3.712 1.00 0.00 N ATOM 399 C4 DG B 13 1.630 10.682 -3.783 1.00 0.00 C ATOM 0 H5' DG B 13 0.111 12.795 -8.639 1.00 0.00 H new ATOM 0 H5'' DG B 13 0.111 11.642 -9.959 1.00 0.00 H new ATOM 0 H4' DG B 13 2.239 11.531 -8.854 1.00 0.00 H new ATOM 0 H3' DG B 13 0.845 9.151 -9.327 1.00 0.00 H new ATOM 0 H2' DG B 13 -0.148 9.036 -7.102 1.00 0.00 H new ATOM 0 H2'' DG B 13 1.298 8.059 -6.941 1.00 0.00 H new ATOM 0 H1' DG B 13 2.537 9.729 -6.003 1.00 0.00 H new ATOM 0 H8 DG B 13 -1.188 9.937 -5.145 1.00 0.00 H new ATOM 0 H1 DG B 13 2.997 11.424 -0.475 1.00 0.00 H new ATOM 0 H21 DG B 13 5.372 11.215 -3.056 1.00 0.00 H new ATOM 0 H22 DG B 13 5.069 11.509 -1.341 1.00 0.00 H new ATOM 411 P DC B 14 3.358 7.781 -9.055 1.00 0.00 P ATOM 412 OP1 DC B 14 4.051 7.801 -10.363 1.00 0.00 O ATOM 413 OP2 DC B 14 2.293 6.786 -8.800 1.00 0.00 O ATOM 414 O5' DC B 14 4.468 7.652 -7.891 1.00 0.00 O ATOM 415 C5' DC B 14 5.617 8.482 -7.891 1.00 0.00 C ATOM 416 C4' DC B 14 6.489 8.241 -6.654 1.00 0.00 C ATOM 417 O4' DC B 14 5.733 8.611 -5.512 1.00 0.00 O ATOM 418 C3' DC B 14 6.880 6.766 -6.504 1.00 0.00 C ATOM 419 O3' DC B 14 8.256 6.720 -6.166 1.00 0.00 O ATOM 420 C2' DC B 14 5.967 6.309 -5.367 1.00 0.00 C ATOM 421 C1' DC B 14 5.851 7.588 -4.540 1.00 0.00 C ATOM 422 N1 DC B 14 4.614 7.636 -3.706 1.00 0.00 N ATOM 423 C2 DC B 14 4.723 7.823 -2.322 1.00 0.00 C ATOM 424 O2 DC B 14 5.816 7.910 -1.770 1.00 0.00 O ATOM 425 N3 DC B 14 3.580 7.911 -1.578 1.00 0.00 N ATOM 426 C4 DC B 14 2.374 7.825 -2.156 1.00 0.00 C ATOM 427 N4 DC B 14 1.276 7.926 -1.402 1.00 0.00 N ATOM 428 C5 DC B 14 2.240 7.673 -3.574 1.00 0.00 C ATOM 429 C6 DC B 14 3.375 7.591 -4.302 1.00 0.00 C ATOM 0 H5' DC B 14 5.311 9.528 -7.923 1.00 0.00 H new ATOM 0 H5'' DC B 14 6.202 8.294 -8.791 1.00 0.00 H new ATOM 0 H4' DC B 14 7.402 8.827 -6.757 1.00 0.00 H new ATOM 0 H3' DC B 14 6.762 6.137 -7.386 1.00 0.00 H new ATOM 0 H2' DC B 14 4.998 5.966 -5.731 1.00 0.00 H new ATOM 0 H2'' DC B 14 6.402 5.489 -4.796 1.00 0.00 H new ATOM 0 H1' DC B 14 6.700 7.672 -3.861 1.00 0.00 H new ATOM 0 H41 DC B 14 0.354 7.862 -1.833 1.00 0.00 H new ATOM 0 H42 DC B 14 1.360 8.067 -0.395 1.00 0.00 H new ATOM 0 H5 DC B 14 1.268 7.626 -4.043 1.00 0.00 H new ATOM 0 H6 DC B 14 3.308 7.488 -5.375 1.00 0.00 H new ATOM 441 P DT B 15 9.063 5.334 -5.983 1.00 0.00 P ATOM 442 OP1 DT B 15 10.505 5.613 -6.167 1.00 0.00 O ATOM 443 OP2 DT B 15 8.405 4.291 -6.800 1.00 0.00 O ATOM 444 O5' DT B 15 8.808 4.994 -4.430 1.00 0.00 O ATOM 445 C5' DT B 15 9.388 5.772 -3.401 1.00 0.00 C ATOM 446 C4' DT B 15 8.951 5.260 -2.024 1.00 0.00 C ATOM 447 O4' DT B 15 7.581 5.538 -1.889 1.00 0.00 O ATOM 448 C3' DT B 15 9.101 3.743 -1.835 1.00 0.00 C ATOM 449 O3' DT B 15 10.248 3.512 -1.028 1.00 0.00 O ATOM 450 C2' DT B 15 7.785 3.324 -1.185 1.00 0.00 C ATOM 451 C1' DT B 15 7.073 4.644 -0.926 1.00 0.00 C ATOM 452 N1 DT B 15 5.629 4.552 -1.215 1.00 0.00 N ATOM 453 C2 DT B 15 4.729 4.991 -0.253 1.00 0.00 C ATOM 454 O2 DT B 15 5.069 5.368 0.865 1.00 0.00 O ATOM 455 N3 DT B 15 3.398 4.983 -0.627 1.00 0.00 N ATOM 456 C4 DT B 15 2.891 4.579 -1.850 1.00 0.00 C ATOM 457 O4 DT B 15 1.680 4.637 -2.048 1.00 0.00 O ATOM 458 C5 DT B 15 3.898 4.116 -2.792 1.00 0.00 C ATOM 459 C7 DT B 15 3.469 3.646 -4.168 1.00 0.00 C ATOM 460 C6 DT B 15 5.212 4.114 -2.447 1.00 0.00 C ATOM 0 H5' DT B 15 9.094 6.815 -3.517 1.00 0.00 H new ATOM 0 H5'' DT B 15 10.475 5.737 -3.480 1.00 0.00 H new ATOM 0 H4' DT B 15 9.591 5.752 -1.291 1.00 0.00 H new ATOM 0 H3' DT B 15 9.261 3.167 -2.746 1.00 0.00 H new ATOM 0 H2' DT B 15 7.203 2.677 -1.841 1.00 0.00 H new ATOM 0 H2'' DT B 15 7.953 2.772 -0.260 1.00 0.00 H new ATOM 0 H1' DT B 15 7.222 4.936 0.114 1.00 0.00 H new ATOM 0 H3 DT B 15 2.723 5.307 0.066 1.00 0.00 H new ATOM 0 H71 DT B 15 4.267 3.842 -4.885 1.00 0.00 H new ATOM 0 H72 DT B 15 3.262 2.576 -4.139 1.00 0.00 H new ATOM 0 H73 DT B 15 2.569 4.181 -4.471 1.00 0.00 H new ATOM 0 H6 DT B 15 5.944 3.760 -3.158 1.00 0.00 H new ATOM 473 P DA B 16 10.714 2.041 -0.542 1.00 0.00 P ATOM 474 OP1 DA B 16 12.114 2.137 -0.071 1.00 0.00 O ATOM 475 OP2 DA B 16 10.360 1.068 -1.599 1.00 0.00 O ATOM 476 O5' DA B 16 9.774 1.756 0.739 1.00 0.00 O ATOM 477 C5' DA B 16 9.924 2.457 1.964 1.00 0.00 C ATOM 478 C4' DA B 16 8.747 2.177 2.917 1.00 0.00 C ATOM 479 O4' DA B 16 7.556 2.647 2.332 1.00 0.00 O ATOM 480 C3' DA B 16 8.478 0.709 3.189 1.00 0.00 C ATOM 481 O3' DA B 16 9.034 0.259 4.416 1.00 0.00 O ATOM 482 C2' DA B 16 7.010 0.449 2.964 1.00 0.00 C ATOM 483 C1' DA B 16 6.533 1.862 2.907 1.00 0.00 C ATOM 484 N9 DA B 16 5.333 1.965 2.072 1.00 0.00 N ATOM 485 C8 DA B 16 5.305 1.655 0.753 1.00 0.00 C ATOM 486 N7 DA B 16 4.148 1.843 0.178 1.00 0.00 N ATOM 487 C5 DA B 16 3.331 2.247 1.236 1.00 0.00 C ATOM 488 C6 DA B 16 1.959 2.572 1.328 1.00 0.00 C ATOM 489 N6 DA B 16 1.161 2.691 0.260 1.00 0.00 N ATOM 490 N1 DA B 16 1.429 2.769 2.552 1.00 0.00 N ATOM 491 C2 DA B 16 2.223 2.696 3.620 1.00 0.00 C ATOM 492 N3 DA B 16 3.534 2.466 3.662 1.00 0.00 N ATOM 493 C4 DA B 16 4.035 2.247 2.417 1.00 0.00 C ATOM 0 H5' DA B 16 9.989 3.527 1.767 1.00 0.00 H new ATOM 0 H5'' DA B 16 10.859 2.163 2.441 1.00 0.00 H new ATOM 0 H4' DA B 16 9.029 2.669 3.848 1.00 0.00 H new ATOM 0 H3' DA B 16 9.013 0.076 2.481 1.00 0.00 H new ATOM 0 H2' DA B 16 6.815 -0.099 2.042 1.00 0.00 H new ATOM 0 H2'' DA B 16 6.553 -0.118 3.775 1.00 0.00 H new ATOM 0 H1' DA B 16 6.292 2.205 3.913 1.00 0.00 H new ATOM 0 H8 DA B 16 6.168 1.283 0.221 1.00 0.00 H new ATOM 0 H61 DA B 16 0.176 2.928 0.383 1.00 0.00 H new ATOM 0 H62 DA B 16 1.537 2.545 -0.677 1.00 0.00 H new ATOM 0 H2 DA B 16 1.741 2.842 4.575 1.00 0.00 H new HETATM 505 N1 T41 B 17 3.332 -0.979 4.157 1.00 0.00 N HETATM 506 C2 T41 B 17 2.027 -0.574 3.878 1.00 0.00 C HETATM 507 N3 T41 B 17 1.664 -0.562 2.541 1.00 0.00 N HETATM 508 C4 T41 B 17 2.464 -0.912 1.466 1.00 0.00 C HETATM 509 C5 T41 B 17 3.793 -1.344 1.844 1.00 0.00 C HETATM 510 C5M T41 B 17 4.775 -1.805 0.795 1.00 0.00 C HETATM 511 C6 T41 B 17 4.170 -1.357 3.140 1.00 0.00 C HETATM 512 O2 T41 B 17 1.220 -0.242 4.743 1.00 0.00 O HETATM 513 O4 T41 B 17 2.029 -0.841 0.320 1.00 0.00 O HETATM 514 C1' T41 B 17 3.794 -0.955 5.570 1.00 0.00 C HETATM 515 C2' T41 B 17 4.265 -2.240 6.175 1.00 0.00 C HETATM 516 O2' T41 B 17 5.131 -2.952 5.343 1.00 0.00 O HETATM 517 C3' T41 B 17 5.049 -1.775 7.393 1.00 0.00 C HETATM 518 C4' T41 B 17 5.545 -0.391 6.945 1.00 0.00 C HETATM 519 O3' T41 B 17 4.240 -1.584 8.545 1.00 0.00 O HETATM 520 O4' T41 B 17 4.848 -0.033 5.758 1.00 0.00 O HETATM 521 C5' T41 B 17 7.047 -0.346 6.634 1.00 0.00 C HETATM 522 O5' T41 B 17 7.408 -1.274 5.629 1.00 0.00 O HETATM 523 C6' T41 B 17 4.727 -4.278 5.399 1.00 0.00 C HETATM 524 P T41 B 17 8.879 -1.260 4.960 1.00 0.00 P HETATM 525 O1P T41 B 17 9.872 -1.461 6.039 1.00 0.00 O HETATM 526 O2P T41 B 17 8.863 -2.174 3.797 1.00 0.00 O HETATM 0 H5M3 T41 B 17 4.365 -2.665 0.265 1.00 0.00 H new HETATM 0 H5M2 T41 B 17 4.958 -0.996 0.087 1.00 0.00 H new HETATM 0 H5M1 T41 B 17 5.713 -2.087 1.274 1.00 0.00 H new HETATM 0 H5'2 T41 B 17 7.321 0.659 6.314 1.00 0.00 H new HETATM 0 H5'1 T41 B 17 7.612 -0.557 7.542 1.00 0.00 H new HETATM 0 H2'1 T41 B 17 3.428 -2.908 6.379 1.00 0.00 H new HETATM 0 H6 T41 B 17 5.181 -1.681 3.388 1.00 0.00 H new HETATM 0 H4' T41 B 17 5.361 0.295 7.771 1.00 0.00 H new HETATM 0 H3' T41 B 17 5.810 -2.503 7.674 1.00 0.00 H new HETATM 0 H3 T41 B 17 0.712 -0.266 2.327 1.00 0.00 H new HETATM 0 H13 T41 B 17 4.792 -4.635 6.427 1.00 0.00 H new HETATM 0 H12 T41 B 17 3.697 -4.360 5.051 1.00 0.00 H new HETATM 0 H11 T41 B 17 5.374 -4.883 4.763 1.00 0.00 H new HETATM 0 H1' T41 B 17 2.870 -0.681 6.079 1.00 0.00 H new ATOM 541 P DA B 18 3.577 -2.803 9.374 1.00 0.00 P ATOM 542 OP1 DA B 18 3.519 -2.406 10.798 1.00 0.00 O ATOM 543 OP2 DA B 18 4.258 -4.060 8.993 1.00 0.00 O ATOM 544 O5' DA B 18 2.068 -2.858 8.804 1.00 0.00 O ATOM 545 C5' DA B 18 1.084 -1.917 9.202 1.00 0.00 C ATOM 546 C4' DA B 18 -0.265 -2.286 8.575 1.00 0.00 C ATOM 547 O4' DA B 18 -0.131 -2.173 7.179 1.00 0.00 O ATOM 548 C3' DA B 18 -0.681 -3.728 8.897 1.00 0.00 C ATOM 549 O3' DA B 18 -1.905 -3.682 9.612 1.00 0.00 O ATOM 550 C2' DA B 18 -0.805 -4.338 7.502 1.00 0.00 C ATOM 551 C1' DA B 18 -0.996 -3.129 6.622 1.00 0.00 C ATOM 552 N9 DA B 18 -0.537 -3.323 5.231 1.00 0.00 N ATOM 553 C8 DA B 18 0.743 -3.610 4.829 1.00 0.00 C ATOM 554 N7 DA B 18 0.922 -3.591 3.540 1.00 0.00 N ATOM 555 C5 DA B 18 -0.333 -3.258 3.049 1.00 0.00 C ATOM 556 C6 DA B 18 -0.808 -3.029 1.746 1.00 0.00 C ATOM 557 N6 DA B 18 -0.040 -3.061 0.652 1.00 0.00 N ATOM 558 N1 DA B 18 -2.095 -2.693 1.598 1.00 0.00 N ATOM 559 C2 DA B 18 -2.895 -2.584 2.650 1.00 0.00 C ATOM 560 N3 DA B 18 -2.565 -2.765 3.932 1.00 0.00 N ATOM 561 C4 DA B 18 -1.246 -3.106 4.068 1.00 0.00 C ATOM 0 H5' DA B 18 1.379 -0.915 8.891 1.00 0.00 H new ATOM 0 H5'' DA B 18 0.999 -1.902 10.289 1.00 0.00 H new ATOM 0 H4' DA B 18 -1.026 -1.618 8.978 1.00 0.00 H new ATOM 0 H3' DA B 18 -0.001 -4.306 9.522 1.00 0.00 H new ATOM 0 H2' DA B 18 0.087 -4.901 7.227 1.00 0.00 H new ATOM 0 H2'' DA B 18 -1.649 -5.024 7.435 1.00 0.00 H new ATOM 0 H1' DA B 18 -2.055 -2.875 6.583 1.00 0.00 H new ATOM 0 H8 DA B 18 1.537 -3.834 5.526 1.00 0.00 H new ATOM 0 H61 DA B 18 -0.451 -2.885 -0.265 1.00 0.00 H new ATOM 0 H62 DA B 18 0.957 -3.261 0.734 1.00 0.00 H new ATOM 0 H2 DA B 18 -3.923 -2.321 2.449 1.00 0.00 H new ATOM 573 P DT B 19 -2.738 -5.006 10.017 1.00 0.00 P ATOM 574 OP1 DT B 19 -3.539 -4.699 11.223 1.00 0.00 O ATOM 575 OP2 DT B 19 -1.820 -6.167 10.016 1.00 0.00 O ATOM 576 O5' DT B 19 -3.745 -5.155 8.766 1.00 0.00 O ATOM 577 C5' DT B 19 -4.705 -4.155 8.478 1.00 0.00 C ATOM 578 C4' DT B 19 -5.526 -4.526 7.240 1.00 0.00 C ATOM 579 O4' DT B 19 -4.655 -4.457 6.124 1.00 0.00 O ATOM 580 C3' DT B 19 -6.089 -5.956 7.315 1.00 0.00 C ATOM 581 O3' DT B 19 -7.480 -5.920 7.038 1.00 0.00 O ATOM 582 C2' DT B 19 -5.303 -6.682 6.223 1.00 0.00 C ATOM 583 C1' DT B 19 -4.957 -5.551 5.285 1.00 0.00 C ATOM 584 N1 DT B 19 -3.842 -5.810 4.354 1.00 0.00 N ATOM 585 C2 DT B 19 -4.003 -5.678 2.978 1.00 0.00 C ATOM 586 O2 DT B 19 -5.067 -5.374 2.443 1.00 0.00 O ATOM 587 N3 DT B 19 -2.866 -5.914 2.218 1.00 0.00 N ATOM 588 C4 DT B 19 -1.615 -6.278 2.700 1.00 0.00 C ATOM 589 O4 DT B 19 -0.679 -6.438 1.921 1.00 0.00 O ATOM 590 C5 DT B 19 -1.555 -6.431 4.143 1.00 0.00 C ATOM 591 C7 DT B 19 -0.268 -6.891 4.798 1.00 0.00 C ATOM 592 C6 DT B 19 -2.657 -6.181 4.893 1.00 0.00 C ATOM 0 H5' DT B 19 -4.204 -3.201 8.315 1.00 0.00 H new ATOM 0 H5'' DT B 19 -5.368 -4.025 9.333 1.00 0.00 H new ATOM 0 H4' DT B 19 -6.370 -3.840 7.165 1.00 0.00 H new ATOM 0 H3' DT B 19 -5.987 -6.442 8.285 1.00 0.00 H new ATOM 0 H2' DT B 19 -4.413 -7.172 6.618 1.00 0.00 H new ATOM 0 H2'' DT B 19 -5.900 -7.451 5.733 1.00 0.00 H new ATOM 0 H1' DT B 19 -5.802 -5.380 4.618 1.00 0.00 H new ATOM 0 H3 DT B 19 -2.958 -5.810 1.207 1.00 0.00 H new ATOM 0 H71 DT B 19 -0.197 -6.466 5.799 1.00 0.00 H new ATOM 0 H72 DT B 19 -0.262 -7.979 4.864 1.00 0.00 H new ATOM 0 H73 DT B 19 0.582 -6.559 4.202 1.00 0.00 H new ATOM 0 H6 DT B 19 -2.586 -6.282 5.966 1.00 0.00 H new ATOM 605 P DG B 20 -8.401 -7.251 7.043 1.00 0.00 P ATOM 606 OP1 DG B 20 -9.760 -6.867 7.486 1.00 0.00 O ATOM 607 OP2 DG B 20 -7.676 -8.326 7.755 1.00 0.00 O ATOM 608 O5' DG B 20 -8.473 -7.648 5.478 1.00 0.00 O ATOM 609 C5' DG B 20 -9.202 -6.861 4.555 1.00 0.00 C ATOM 610 C4' DG B 20 -9.246 -7.509 3.166 1.00 0.00 C ATOM 611 O4' DG B 20 -7.954 -7.449 2.584 1.00 0.00 O ATOM 612 C3' DG B 20 -9.647 -8.989 3.216 1.00 0.00 C ATOM 613 O3' DG B 20 -10.573 -9.174 2.157 1.00 0.00 O ATOM 614 C2' DG B 20 -8.305 -9.691 3.008 1.00 0.00 C ATOM 615 C1' DG B 20 -7.653 -8.720 2.038 1.00 0.00 C ATOM 616 N9 DG B 20 -6.184 -8.804 1.940 1.00 0.00 N ATOM 617 C8 DG B 20 -5.282 -8.999 2.945 1.00 0.00 C ATOM 618 N7 DG B 20 -4.035 -8.967 2.564 1.00 0.00 N ATOM 619 C5 DG B 20 -4.117 -8.754 1.190 1.00 0.00 C ATOM 620 C6 DG B 20 -3.086 -8.679 0.205 1.00 0.00 C ATOM 621 O6 DG B 20 -1.872 -8.679 0.384 1.00 0.00 O ATOM 622 N1 DG B 20 -3.589 -8.600 -1.092 1.00 0.00 N ATOM 623 C2 DG B 20 -4.936 -8.551 -1.402 1.00 0.00 C ATOM 624 N2 DG B 20 -5.271 -8.498 -2.694 1.00 0.00 N ATOM 625 N3 DG B 20 -5.905 -8.566 -0.475 1.00 0.00 N ATOM 626 C4 DG B 20 -5.432 -8.677 0.796 1.00 0.00 C ATOM 0 H5' DG B 20 -8.748 -5.873 4.481 1.00 0.00 H new ATOM 0 H5'' DG B 20 -10.218 -6.718 4.922 1.00 0.00 H new ATOM 0 H4' DG B 20 -9.990 -6.961 2.587 1.00 0.00 H new ATOM 0 H3' DG B 20 -10.128 -9.360 4.121 1.00 0.00 H new ATOM 0 H2' DG B 20 -7.741 -9.797 3.935 1.00 0.00 H new ATOM 0 H2'' DG B 20 -8.417 -10.690 2.587 1.00 0.00 H new ATOM 0 H1' DG B 20 -8.024 -8.931 1.035 1.00 0.00 H new ATOM 0 H8 DG B 20 -5.576 -9.166 3.971 1.00 0.00 H new ATOM 0 H1 DG B 20 -2.921 -8.577 -1.862 1.00 0.00 H new ATOM 0 H21 DG B 20 -6.254 -8.461 -2.965 1.00 0.00 H new ATOM 0 H22 DG B 20 -4.544 -8.495 -3.410 1.00 0.00 H new ATOM 638 P DC B 21 -11.158 -10.607 1.697 1.00 0.00 P ATOM 639 OP1 DC B 21 -12.597 -10.442 1.395 1.00 0.00 O ATOM 640 OP2 DC B 21 -10.721 -11.649 2.653 1.00 0.00 O ATOM 641 O5' DC B 21 -10.370 -10.819 0.305 1.00 0.00 O ATOM 642 C5' DC B 21 -10.522 -9.893 -0.758 1.00 0.00 C ATOM 643 C4' DC B 21 -9.819 -10.360 -2.039 1.00 0.00 C ATOM 644 O4' DC B 21 -8.424 -10.295 -1.799 1.00 0.00 O ATOM 645 C3' DC B 21 -10.171 -11.809 -2.401 1.00 0.00 C ATOM 646 O3' DC B 21 -10.357 -11.885 -3.806 1.00 0.00 O ATOM 647 C2' DC B 21 -8.928 -12.558 -1.929 1.00 0.00 C ATOM 648 C1' DC B 21 -7.838 -11.521 -2.188 1.00 0.00 C ATOM 649 N1 DC B 21 -6.646 -11.714 -1.319 1.00 0.00 N ATOM 650 C2 DC B 21 -5.373 -11.760 -1.892 1.00 0.00 C ATOM 651 O2 DC B 21 -5.216 -11.727 -3.110 1.00 0.00 O ATOM 652 N3 DC B 21 -4.289 -11.841 -1.068 1.00 0.00 N ATOM 653 C4 DC B 21 -4.434 -11.885 0.265 1.00 0.00 C ATOM 654 N4 DC B 21 -3.340 -11.937 1.030 1.00 0.00 N ATOM 655 C5 DC B 21 -5.730 -11.808 0.875 1.00 0.00 C ATOM 656 C6 DC B 21 -6.794 -11.724 0.046 1.00 0.00 C ATOM 0 H5' DC B 21 -10.119 -8.927 -0.456 1.00 0.00 H new ATOM 0 H5'' DC B 21 -11.583 -9.746 -0.961 1.00 0.00 H new ATOM 0 H4' DC B 21 -10.138 -9.723 -2.864 1.00 0.00 H new ATOM 0 H3' DC B 21 -11.083 -12.208 -1.957 1.00 0.00 H new ATOM 0 H2' DC B 21 -8.990 -12.835 -0.877 1.00 0.00 H new ATOM 0 H2'' DC B 21 -8.763 -13.477 -2.492 1.00 0.00 H new ATOM 0 H1' DC B 21 -7.508 -11.580 -3.225 1.00 0.00 H new ATOM 0 H41 DC B 21 -3.429 -11.971 2.046 1.00 0.00 H new ATOM 0 H42 DC B 21 -2.416 -11.943 0.598 1.00 0.00 H new ATOM 0 H5 DC B 21 -5.850 -11.817 1.948 1.00 0.00 H new ATOM 0 H6 DC B 21 -7.786 -11.663 0.468 1.00 0.00 H new ATOM 668 P DG B 22 -10.742 -13.261 -4.561 1.00 0.00 P ATOM 669 OP1 DG B 22 -11.521 -12.921 -5.773 1.00 0.00 O ATOM 670 OP2 DG B 22 -11.301 -14.208 -3.571 1.00 0.00 O ATOM 671 O5' DG B 22 -9.302 -13.814 -5.028 1.00 0.00 O ATOM 672 C5' DG B 22 -8.588 -13.194 -6.081 1.00 0.00 C ATOM 673 C4' DG B 22 -7.239 -13.884 -6.297 1.00 0.00 C ATOM 674 O4' DG B 22 -6.467 -13.710 -5.123 1.00 0.00 O ATOM 675 C3' DG B 22 -7.372 -15.398 -6.523 1.00 0.00 C ATOM 676 O3' DG B 22 -6.772 -15.760 -7.750 1.00 0.00 O ATOM 677 C2' DG B 22 -6.587 -15.999 -5.365 1.00 0.00 C ATOM 678 C1' DG B 22 -5.657 -14.858 -5.001 1.00 0.00 C ATOM 679 N9 DG B 22 -5.125 -14.920 -3.622 1.00 0.00 N ATOM 680 C8 DG B 22 -5.802 -15.044 -2.435 1.00 0.00 C ATOM 681 N7 DG B 22 -5.041 -14.997 -1.377 1.00 0.00 N ATOM 682 C5 DG B 22 -3.760 -14.832 -1.896 1.00 0.00 C ATOM 683 C6 DG B 22 -2.506 -14.681 -1.228 1.00 0.00 C ATOM 684 O6 DG B 22 -2.289 -14.657 -0.019 1.00 0.00 O ATOM 685 N1 DG B 22 -1.441 -14.550 -2.117 1.00 0.00 N ATOM 686 C2 DG B 22 -1.568 -14.561 -3.493 1.00 0.00 C ATOM 687 N2 DG B 22 -0.454 -14.417 -4.216 1.00 0.00 N ATOM 688 N3 DG B 22 -2.748 -14.675 -4.122 1.00 0.00 N ATOM 689 C4 DG B 22 -3.801 -14.803 -3.270 1.00 0.00 C ATOM 0 H5' DG B 22 -8.431 -12.140 -5.850 1.00 0.00 H new ATOM 0 H5'' DG B 22 -9.175 -13.235 -6.999 1.00 0.00 H new ATOM 0 H4' DG B 22 -6.784 -13.441 -7.183 1.00 0.00 H new ATOM 0 H3' DG B 22 -8.408 -15.735 -6.563 1.00 0.00 H new ATOM 0 H2' DG B 22 -7.234 -16.281 -4.534 1.00 0.00 H new ATOM 0 H2'' DG B 22 -6.040 -16.894 -5.662 1.00 0.00 H new ATOM 0 HO3' DG B 22 -6.860 -16.727 -7.885 1.00 0.00 H new ATOM 0 H1' DG B 22 -4.777 -14.879 -5.644 1.00 0.00 H new ATOM 0 H8 DG B 22 -6.873 -15.170 -2.381 1.00 0.00 H new ATOM 0 H1 DG B 22 -0.505 -14.439 -1.726 1.00 0.00 H new ATOM 0 H21 DG B 22 -0.503 -14.419 -5.235 1.00 0.00 H new ATOM 0 H22 DG B 22 0.446 -14.305 -3.749 1.00 0.00 H new TER 702 DG B 22