USER MOD reduce.3.24.130724 H: found=0, std=0, add=212, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 212 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 15 DT C7 :methyl 150:sc= -0.405 (180deg=-0.405) USER MOD Set 1.2: C 16 DT C7 :methyl -30:sc=-0.00253 (180deg=0) USER MOD Set 2.1: B 9 DT C7 :methyl 150:sc= -0.34 (180deg=-0.34) USER MOD Set 2.2: B 10 DT C7 :methyl 150:sc= -0.416 (180deg=-0.416) USER MOD Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 6 DA O3' : rot 180:sc= 0 USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 7 DT O5' : rot 180:sc= 0 USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 12 DT O3' : rot 180:sc= 0 USER MOD Single : C 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 13 DT O5' : rot -28:sc= 0.00195 USER MOD Single : C 18 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 18 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -2.059 -10.783 -9.735 1.00 0.00 O ATOM 2 C5' DA A 1 -2.223 -9.386 -9.840 1.00 0.00 C ATOM 3 C4' DA A 1 -1.000 -8.672 -9.260 1.00 0.00 C ATOM 4 O4' DA A 1 -1.138 -7.270 -9.374 1.00 0.00 O ATOM 5 C3' DA A 1 -0.782 -8.971 -7.770 1.00 0.00 C ATOM 6 O3' DA A 1 0.320 -9.851 -7.618 1.00 0.00 O ATOM 7 C2' DA A 1 -0.569 -7.582 -7.158 1.00 0.00 C ATOM 8 C1' DA A 1 -0.329 -6.691 -8.373 1.00 0.00 C ATOM 9 N9 DA A 1 -0.740 -5.280 -8.173 1.00 0.00 N ATOM 10 C8 DA A 1 -1.976 -4.793 -7.818 1.00 0.00 C ATOM 11 N7 DA A 1 -2.035 -3.495 -7.723 1.00 0.00 N ATOM 12 C5 DA A 1 -0.748 -3.081 -8.039 1.00 0.00 C ATOM 13 C6 DA A 1 -0.145 -1.807 -8.134 1.00 0.00 C ATOM 14 N6 DA A 1 -0.796 -0.657 -7.919 1.00 0.00 N ATOM 15 N1 DA A 1 1.157 -1.745 -8.469 1.00 0.00 N ATOM 16 C2 DA A 1 1.825 -2.871 -8.696 1.00 0.00 C ATOM 17 N3 DA A 1 1.376 -4.124 -8.646 1.00 0.00 N ATOM 18 C4 DA A 1 0.056 -4.164 -8.308 1.00 0.00 C ATOM 0 H5' DA A 1 -3.122 -9.076 -9.308 1.00 0.00 H new ATOM 0 H5'' DA A 1 -2.358 -9.105 -10.884 1.00 0.00 H new ATOM 0 H4' DA A 1 -0.151 -9.044 -9.834 1.00 0.00 H new ATOM 0 H3' DA A 1 -1.607 -9.483 -7.275 1.00 0.00 H new ATOM 0 H2' DA A 1 -1.439 -7.257 -6.587 1.00 0.00 H new ATOM 0 H2'' DA A 1 0.282 -7.570 -6.477 1.00 0.00 H new ATOM 0 HO5' DA A 1 -2.846 -11.234 -10.106 1.00 0.00 H new ATOM 0 H1' DA A 1 0.735 -6.646 -8.607 1.00 0.00 H new ATOM 0 H8 DA A 1 -2.826 -5.433 -7.633 1.00 0.00 H new ATOM 0 H61 DA A 1 -0.303 0.232 -8.004 1.00 0.00 H new ATOM 0 H62 DA A 1 -1.785 -0.670 -7.671 1.00 0.00 H new ATOM 0 H2 DA A 1 2.867 -2.755 -8.955 1.00 0.00 H new ATOM 31 P DG A 2 0.828 -10.372 -6.172 1.00 0.00 P ATOM 32 OP1 DG A 2 1.494 -11.680 -6.360 1.00 0.00 O ATOM 33 OP2 DG A 2 -0.284 -10.245 -5.203 1.00 0.00 O ATOM 34 O5' DG A 2 1.952 -9.281 -5.793 1.00 0.00 O ATOM 35 C5' DG A 2 3.159 -9.183 -6.524 1.00 0.00 C ATOM 36 C4' DG A 2 3.946 -7.959 -6.057 1.00 0.00 C ATOM 37 O4' DG A 2 3.203 -6.784 -6.328 1.00 0.00 O ATOM 38 C3' DG A 2 4.244 -7.989 -4.549 1.00 0.00 C ATOM 39 O3' DG A 2 5.648 -7.940 -4.361 1.00 0.00 O ATOM 40 C2' DG A 2 3.512 -6.739 -4.034 1.00 0.00 C ATOM 41 C1' DG A 2 3.441 -5.876 -5.276 1.00 0.00 C ATOM 42 N9 DG A 2 2.341 -4.898 -5.165 1.00 0.00 N ATOM 43 C8 DG A 2 1.021 -5.147 -4.904 1.00 0.00 C ATOM 44 N7 DG A 2 0.270 -4.083 -4.861 1.00 0.00 N ATOM 45 C5 DG A 2 1.160 -3.046 -5.111 1.00 0.00 C ATOM 46 C6 DG A 2 0.931 -1.641 -5.181 1.00 0.00 C ATOM 47 O6 DG A 2 -0.131 -1.045 -5.030 1.00 0.00 O ATOM 48 N1 DG A 2 2.097 -0.925 -5.454 1.00 0.00 N ATOM 49 C2 DG A 2 3.343 -1.501 -5.639 1.00 0.00 C ATOM 50 N2 DG A 2 4.368 -0.678 -5.889 1.00 0.00 N ATOM 51 N3 DG A 2 3.559 -2.825 -5.569 1.00 0.00 N ATOM 52 C4 DG A 2 2.432 -3.536 -5.302 1.00 0.00 C ATOM 0 H5' DG A 2 2.945 -9.105 -7.590 1.00 0.00 H new ATOM 0 H5'' DG A 2 3.754 -10.085 -6.384 1.00 0.00 H new ATOM 0 H4' DG A 2 4.892 -7.969 -6.598 1.00 0.00 H new ATOM 0 H3' DG A 2 3.914 -8.883 -4.020 1.00 0.00 H new ATOM 0 H2' DG A 2 2.521 -6.978 -3.647 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.059 -6.249 -3.229 1.00 0.00 H new ATOM 0 H1' DG A 2 4.351 -5.297 -5.433 1.00 0.00 H new ATOM 0 H8 DG A 2 0.634 -6.143 -4.747 1.00 0.00 H new ATOM 0 H1 DG A 2 2.027 0.090 -5.522 1.00 0.00 H new ATOM 0 H21 DG A 2 5.304 -1.058 -6.032 1.00 0.00 H new ATOM 0 H22 DG A 2 4.213 0.329 -5.937 1.00 0.00 H new ATOM 64 P DA A 3 6.332 -7.912 -2.895 1.00 0.00 P ATOM 65 OP1 DA A 3 7.720 -8.411 -3.022 1.00 0.00 O ATOM 66 OP2 DA A 3 5.409 -8.535 -1.921 1.00 0.00 O ATOM 67 O5' DA A 3 6.390 -6.330 -2.602 1.00 0.00 O ATOM 68 C5' DA A 3 7.117 -5.467 -3.450 1.00 0.00 C ATOM 69 C4' DA A 3 6.841 -4.010 -3.092 1.00 0.00 C ATOM 70 O4' DA A 3 5.498 -3.632 -3.265 1.00 0.00 O ATOM 71 C3' DA A 3 7.224 -3.622 -1.661 1.00 0.00 C ATOM 72 O3' DA A 3 8.504 -3.026 -1.787 1.00 0.00 O ATOM 73 C2' DA A 3 6.058 -2.719 -1.219 1.00 0.00 C ATOM 74 C1' DA A 3 5.356 -2.432 -2.534 1.00 0.00 C ATOM 75 N9 DA A 3 3.921 -2.184 -2.330 1.00 0.00 N ATOM 76 C8 DA A 3 2.948 -3.089 -1.993 1.00 0.00 C ATOM 77 N7 DA A 3 1.760 -2.563 -1.889 1.00 0.00 N ATOM 78 C5 DA A 3 1.959 -1.217 -2.165 1.00 0.00 C ATOM 79 C6 DA A 3 1.093 -0.104 -2.230 1.00 0.00 C ATOM 80 N6 DA A 3 -0.225 -0.183 -2.028 1.00 0.00 N ATOM 81 N1 DA A 3 1.625 1.098 -2.521 1.00 0.00 N ATOM 82 C2 DA A 3 2.933 1.197 -2.737 1.00 0.00 C ATOM 83 N3 DA A 3 3.850 0.233 -2.715 1.00 0.00 N ATOM 84 C4 DA A 3 3.285 -0.971 -2.424 1.00 0.00 C ATOM 0 H5' DA A 3 6.842 -5.651 -4.489 1.00 0.00 H new ATOM 0 H5'' DA A 3 8.184 -5.674 -3.361 1.00 0.00 H new ATOM 0 H4' DA A 3 7.482 -3.481 -3.797 1.00 0.00 H new ATOM 0 H3' DA A 3 7.332 -4.398 -0.903 1.00 0.00 H new ATOM 0 H2' DA A 3 5.401 -3.221 -0.508 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.410 -1.806 -0.738 1.00 0.00 H new ATOM 0 H1' DA A 3 5.773 -1.553 -3.026 1.00 0.00 H new ATOM 0 H8 DA A 3 3.147 -4.138 -1.829 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.801 0.656 -2.088 1.00 0.00 H new ATOM 0 H62 DA A 3 -0.655 -1.083 -1.814 1.00 0.00 H new ATOM 0 H2 DA A 3 3.299 2.189 -2.959 1.00 0.00 H new ATOM 96 P DA A 4 9.334 -2.444 -0.546 1.00 0.00 P ATOM 97 OP1 DA A 4 10.762 -2.376 -0.924 1.00 0.00 O ATOM 98 OP2 DA A 4 8.921 -3.164 0.681 1.00 0.00 O ATOM 99 O5' DA A 4 8.745 -0.951 -0.520 1.00 0.00 O ATOM 100 C5' DA A 4 8.493 -0.301 0.696 1.00 0.00 C ATOM 101 C4' DA A 4 7.736 1.003 0.456 1.00 0.00 C ATOM 102 O4' DA A 4 6.464 0.764 -0.138 1.00 0.00 O ATOM 103 C3' DA A 4 7.544 1.651 1.822 1.00 0.00 C ATOM 104 O3' DA A 4 8.112 2.950 1.861 1.00 0.00 O ATOM 105 C2' DA A 4 6.036 1.638 1.907 1.00 0.00 C ATOM 106 C1' DA A 4 5.540 1.629 0.482 1.00 0.00 C ATOM 107 N9 DA A 4 4.182 1.073 0.602 1.00 0.00 N ATOM 108 C8 DA A 4 3.814 -0.227 0.812 1.00 0.00 C ATOM 109 N7 DA A 4 2.525 -0.402 0.883 1.00 0.00 N ATOM 110 C5 DA A 4 2.001 0.872 0.714 1.00 0.00 C ATOM 111 C6 DA A 4 0.686 1.387 0.694 1.00 0.00 C ATOM 112 N6 DA A 4 -0.404 0.628 0.857 1.00 0.00 N ATOM 113 N1 DA A 4 0.530 2.712 0.502 1.00 0.00 N ATOM 114 C2 DA A 4 1.607 3.479 0.343 1.00 0.00 C ATOM 115 N3 DA A 4 2.885 3.120 0.345 1.00 0.00 N ATOM 116 C4 DA A 4 3.013 1.782 0.537 1.00 0.00 C ATOM 0 H5' DA A 4 9.433 -0.094 1.207 1.00 0.00 H new ATOM 0 H5'' DA A 4 7.912 -0.951 1.350 1.00 0.00 H new ATOM 0 H4' DA A 4 8.297 1.642 -0.226 1.00 0.00 H new ATOM 0 H3' DA A 4 8.031 1.153 2.661 1.00 0.00 H new ATOM 0 H2' DA A 4 5.683 0.760 2.449 1.00 0.00 H new ATOM 0 H2'' DA A 4 5.668 2.513 2.443 1.00 0.00 H new ATOM 0 H1' DA A 4 5.481 2.564 -0.074 1.00 0.00 H new ATOM 0 H8 DA A 4 4.526 -1.034 0.910 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.330 1.054 0.833 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.308 -0.377 1.005 1.00 0.00 H new ATOM 0 H2 DA A 4 1.416 4.531 0.193 1.00 0.00 H new ATOM 128 P DG A 5 8.346 3.746 3.255 1.00 0.00 P ATOM 129 OP1 DG A 5 9.462 4.696 3.054 1.00 0.00 O ATOM 130 OP2 DG A 5 8.415 2.764 4.360 1.00 0.00 O ATOM 131 O5' DG A 5 6.990 4.598 3.440 1.00 0.00 O ATOM 132 C5' DG A 5 6.745 5.762 2.678 1.00 0.00 C ATOM 133 C4' DG A 5 5.389 6.352 3.062 1.00 0.00 C ATOM 134 O4' DG A 5 4.365 5.422 2.765 1.00 0.00 O ATOM 135 C3' DG A 5 5.278 6.700 4.558 1.00 0.00 C ATOM 136 O3' DG A 5 4.961 8.078 4.677 1.00 0.00 O ATOM 137 C2' DG A 5 4.157 5.779 5.035 1.00 0.00 C ATOM 138 C1' DG A 5 3.370 5.581 3.748 1.00 0.00 C ATOM 139 N9 DG A 5 2.525 4.372 3.813 1.00 0.00 N ATOM 140 C8 DG A 5 2.901 3.076 4.045 1.00 0.00 C ATOM 141 N7 DG A 5 1.914 2.228 4.039 1.00 0.00 N ATOM 142 C5 DG A 5 0.798 3.011 3.795 1.00 0.00 C ATOM 143 C6 DG A 5 -0.574 2.637 3.677 1.00 0.00 C ATOM 144 O6 DG A 5 -1.062 1.510 3.761 1.00 0.00 O ATOM 145 N1 DG A 5 -1.392 3.744 3.437 1.00 0.00 N ATOM 146 C2 DG A 5 -0.941 5.051 3.329 1.00 0.00 C ATOM 147 N2 DG A 5 -1.852 6.008 3.119 1.00 0.00 N ATOM 148 N3 DG A 5 0.351 5.394 3.438 1.00 0.00 N ATOM 149 C4 DG A 5 1.164 4.331 3.664 1.00 0.00 C ATOM 0 H5' DG A 5 6.760 5.522 1.615 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.533 6.494 2.851 1.00 0.00 H new ATOM 0 H4' DG A 5 5.286 7.273 2.488 1.00 0.00 H new ATOM 0 H3' DG A 5 6.184 6.555 5.147 1.00 0.00 H new ATOM 0 H2' DG A 5 4.538 4.839 5.433 1.00 0.00 H new ATOM 0 H2'' DG A 5 3.554 6.236 5.820 1.00 0.00 H new ATOM 0 H1' DG A 5 2.694 6.413 3.549 1.00 0.00 H new ATOM 0 H8 DG A 5 3.926 2.783 4.218 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.393 3.579 3.334 1.00 0.00 H new ATOM 0 H21 DG A 5 -1.559 6.981 3.034 1.00 0.00 H new ATOM 0 H22 DG A 5 -2.840 5.764 3.044 1.00 0.00 H new ATOM 161 P DA A 6 4.742 8.807 6.103 1.00 0.00 P ATOM 162 OP1 DA A 6 5.055 10.245 5.939 1.00 0.00 O ATOM 163 OP2 DA A 6 5.434 8.020 7.148 1.00 0.00 O ATOM 164 O5' DA A 6 3.152 8.658 6.331 1.00 0.00 O ATOM 165 C5' DA A 6 2.222 9.366 5.533 1.00 0.00 C ATOM 166 C4' DA A 6 0.794 9.017 5.958 1.00 0.00 C ATOM 167 O4' DA A 6 0.521 7.655 5.666 1.00 0.00 O ATOM 168 C3' DA A 6 0.570 9.216 7.466 1.00 0.00 C ATOM 169 O3' DA A 6 -0.625 9.937 7.687 1.00 0.00 O ATOM 170 C2' DA A 6 0.405 7.787 7.972 1.00 0.00 C ATOM 171 C1' DA A 6 -0.231 7.147 6.746 1.00 0.00 C ATOM 172 N9 DA A 6 -0.193 5.678 6.816 1.00 0.00 N ATOM 173 C8 DA A 6 0.841 4.796 7.003 1.00 0.00 C ATOM 174 N7 DA A 6 0.465 3.545 7.004 1.00 0.00 N ATOM 175 C5 DA A 6 -0.911 3.603 6.809 1.00 0.00 C ATOM 176 C6 DA A 6 -1.940 2.638 6.708 1.00 0.00 C ATOM 177 N6 DA A 6 -1.715 1.321 6.796 1.00 0.00 N ATOM 178 N1 DA A 6 -3.206 3.073 6.515 1.00 0.00 N ATOM 179 C2 DA A 6 -3.427 4.386 6.428 1.00 0.00 C ATOM 180 N3 DA A 6 -2.560 5.375 6.503 1.00 0.00 N ATOM 181 C4 DA A 6 -1.306 4.907 6.696 1.00 0.00 C ATOM 0 H5' DA A 6 2.368 9.117 4.482 1.00 0.00 H new ATOM 0 H5'' DA A 6 2.388 10.439 5.632 1.00 0.00 H new ATOM 0 H4' DA A 6 0.133 9.685 5.406 1.00 0.00 H new ATOM 0 H3' DA A 6 1.372 9.768 7.955 1.00 0.00 H new ATOM 0 H2' DA A 6 1.356 7.326 8.237 1.00 0.00 H new ATOM 0 H2'' DA A 6 -0.234 7.728 8.853 1.00 0.00 H new ATOM 0 HO3' DA A 6 -0.761 10.058 8.650 1.00 0.00 H new ATOM 0 H1' DA A 6 -1.291 7.384 6.651 1.00 0.00 H new ATOM 0 H8 DA A 6 1.867 5.106 7.137 1.00 0.00 H new ATOM 0 H61 DA A 6 -2.492 0.665 6.717 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.767 0.974 6.942 1.00 0.00 H new ATOM 0 H2 DA A 6 -4.456 4.677 6.275 1.00 0.00 H new TER 194 DA A 6 ATOM 195 O5' DT B 7 -11.287 -1.491 7.568 1.00 0.00 O ATOM 196 C5' DT B 7 -11.326 -1.161 6.196 1.00 0.00 C ATOM 197 C4' DT B 7 -11.150 0.350 6.016 1.00 0.00 C ATOM 198 O4' DT B 7 -9.878 0.744 6.511 1.00 0.00 O ATOM 199 C3' DT B 7 -11.200 0.738 4.535 1.00 0.00 C ATOM 200 O3' DT B 7 -11.791 2.023 4.420 1.00 0.00 O ATOM 201 C2' DT B 7 -9.724 0.704 4.162 1.00 0.00 C ATOM 202 C1' DT B 7 -9.072 1.209 5.442 1.00 0.00 C ATOM 203 N1 DT B 7 -7.673 0.724 5.603 1.00 0.00 N ATOM 204 C2 DT B 7 -6.652 1.646 5.843 1.00 0.00 C ATOM 205 O2 DT B 7 -6.843 2.858 5.922 1.00 0.00 O ATOM 206 N3 DT B 7 -5.372 1.120 5.986 1.00 0.00 N ATOM 207 C4 DT B 7 -5.027 -0.227 5.911 1.00 0.00 C ATOM 208 O4 DT B 7 -3.858 -0.580 6.049 1.00 0.00 O ATOM 209 C5 DT B 7 -6.144 -1.116 5.660 1.00 0.00 C ATOM 210 C7 DT B 7 -5.894 -2.608 5.557 1.00 0.00 C ATOM 211 C6 DT B 7 -7.400 -0.622 5.518 1.00 0.00 C ATOM 0 H5' DT B 7 -12.275 -1.479 5.764 1.00 0.00 H new ATOM 0 H5'' DT B 7 -10.538 -1.693 5.663 1.00 0.00 H new ATOM 0 H4' DT B 7 -11.958 0.842 6.557 1.00 0.00 H new ATOM 0 H3' DT B 7 -11.795 0.098 3.884 1.00 0.00 H new ATOM 0 H2' DT B 7 -9.390 -0.300 3.901 1.00 0.00 H new ATOM 0 H2'' DT B 7 -9.502 1.345 3.309 1.00 0.00 H new ATOM 0 HO5' DT B 7 -11.402 -2.458 7.675 1.00 0.00 H new ATOM 0 H1' DT B 7 -9.008 2.297 5.418 1.00 0.00 H new ATOM 0 H3 DT B 7 -4.616 1.782 6.162 1.00 0.00 H new ATOM 0 H71 DT B 7 -6.778 -3.149 5.895 1.00 0.00 H new ATOM 0 H72 DT B 7 -5.682 -2.871 4.521 1.00 0.00 H new ATOM 0 H73 DT B 7 -5.042 -2.878 6.181 1.00 0.00 H new ATOM 0 H6 DT B 7 -8.213 -1.308 5.332 1.00 0.00 H new ATOM 225 P DC B 8 -12.135 2.695 2.991 1.00 0.00 P ATOM 226 OP1 DC B 8 -13.318 3.568 3.163 1.00 0.00 O ATOM 227 OP2 DC B 8 -12.149 1.635 1.957 1.00 0.00 O ATOM 228 O5' DC B 8 -10.849 3.627 2.729 1.00 0.00 O ATOM 229 C5' DC B 8 -10.715 4.896 3.342 1.00 0.00 C ATOM 230 C4' DC B 8 -9.341 5.477 3.011 1.00 0.00 C ATOM 231 O4' DC B 8 -8.330 4.641 3.529 1.00 0.00 O ATOM 232 C3' DC B 8 -9.076 5.596 1.504 1.00 0.00 C ATOM 233 O3' DC B 8 -9.339 6.927 1.086 1.00 0.00 O ATOM 234 C2' DC B 8 -7.601 5.195 1.380 1.00 0.00 C ATOM 235 C1' DC B 8 -7.151 4.923 2.809 1.00 0.00 C ATOM 236 N1 DC B 8 -6.261 3.739 2.853 1.00 0.00 N ATOM 237 C2 DC B 8 -4.950 3.871 3.305 1.00 0.00 C ATOM 238 O2 DC B 8 -4.505 4.971 3.615 1.00 0.00 O ATOM 239 N3 DC B 8 -4.167 2.754 3.340 1.00 0.00 N ATOM 240 C4 DC B 8 -4.635 1.555 2.956 1.00 0.00 C ATOM 241 N4 DC B 8 -3.813 0.498 3.014 1.00 0.00 N ATOM 242 C5 DC B 8 -5.986 1.405 2.483 1.00 0.00 C ATOM 243 C6 DC B 8 -6.751 2.525 2.454 1.00 0.00 C ATOM 0 H5' DC B 8 -10.833 4.805 4.422 1.00 0.00 H new ATOM 0 H5'' DC B 8 -11.500 5.566 2.991 1.00 0.00 H new ATOM 0 H4' DC B 8 -9.330 6.473 3.454 1.00 0.00 H new ATOM 0 H3' DC B 8 -9.706 4.971 0.871 1.00 0.00 H new ATOM 0 H2' DC B 8 -7.483 4.311 0.753 1.00 0.00 H new ATOM 0 H2'' DC B 8 -7.012 5.991 0.924 1.00 0.00 H new ATOM 0 H1' DC B 8 -6.602 5.770 3.220 1.00 0.00 H new ATOM 0 H41 DC B 8 -4.145 -0.423 2.728 1.00 0.00 H new ATOM 0 H42 DC B 8 -2.855 0.615 3.344 1.00 0.00 H new ATOM 0 H5 DC B 8 -6.372 0.447 2.167 1.00 0.00 H new ATOM 0 H6 DC B 8 -7.772 2.457 2.108 1.00 0.00 H new ATOM 255 P DT B 9 -9.193 7.411 -0.454 1.00 0.00 P ATOM 256 OP1 DT B 9 -9.905 8.700 -0.597 1.00 0.00 O ATOM 257 OP2 DT B 9 -9.548 6.276 -1.336 1.00 0.00 O ATOM 258 O5' DT B 9 -7.612 7.694 -0.615 1.00 0.00 O ATOM 259 C5' DT B 9 -6.962 8.721 0.113 1.00 0.00 C ATOM 260 C4' DT B 9 -5.445 8.600 -0.053 1.00 0.00 C ATOM 261 O4' DT B 9 -4.984 7.358 0.448 1.00 0.00 O ATOM 262 C3' DT B 9 -4.993 8.703 -1.517 1.00 0.00 C ATOM 263 O3' DT B 9 -4.311 9.935 -1.704 1.00 0.00 O ATOM 264 C2' DT B 9 -4.109 7.474 -1.688 1.00 0.00 C ATOM 265 C1' DT B 9 -3.821 7.006 -0.270 1.00 0.00 C ATOM 266 N1 DT B 9 -3.603 5.535 -0.264 1.00 0.00 N ATOM 267 C2 DT B 9 -2.344 5.027 0.061 1.00 0.00 C ATOM 268 O2 DT B 9 -1.368 5.740 0.282 1.00 0.00 O ATOM 269 N3 DT B 9 -2.222 3.642 0.045 1.00 0.00 N ATOM 270 C4 DT B 9 -3.230 2.733 -0.266 1.00 0.00 C ATOM 271 O4 DT B 9 -3.017 1.523 -0.213 1.00 0.00 O ATOM 272 C5 DT B 9 -4.502 3.348 -0.601 1.00 0.00 C ATOM 273 C7 DT B 9 -5.688 2.485 -0.977 1.00 0.00 C ATOM 274 C6 DT B 9 -4.640 4.695 -0.586 1.00 0.00 C ATOM 0 H5' DT B 9 -7.227 8.654 1.168 1.00 0.00 H new ATOM 0 H5'' DT B 9 -7.298 9.696 -0.239 1.00 0.00 H new ATOM 0 H4' DT B 9 -5.022 9.434 0.507 1.00 0.00 H new ATOM 0 H3' DT B 9 -5.793 8.710 -2.258 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.614 6.700 -2.266 1.00 0.00 H new ATOM 0 H2'' DT B 9 -3.189 7.719 -2.219 1.00 0.00 H new ATOM 0 H1' DT B 9 -2.926 7.452 0.163 1.00 0.00 H new ATOM 0 H3 DT B 9 -1.309 3.256 0.283 1.00 0.00 H new ATOM 0 H71 DT B 9 -6.610 2.986 -0.683 1.00 0.00 H new ATOM 0 H72 DT B 9 -5.692 2.321 -2.055 1.00 0.00 H new ATOM 0 H73 DT B 9 -5.617 1.526 -0.465 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5.234 -7.846 1.00 0.00 H new ATOM 0 H2'' DC B 11 5.455 4.835 -7.684 1.00 0.00 H new ATOM 0 H1' DC B 11 5.216 4.405 -5.379 1.00 0.00 H new ATOM 0 H41 DC B 11 -1.097 2.274 -5.871 1.00 0.00 H new ATOM 0 H42 DC B 11 -0.097 0.851 -5.562 1.00 0.00 H new ATOM 0 H5 DC B 11 -0.152 4.503 -6.167 1.00 0.00 H new ATOM 0 H6 DC B 11 1.914 5.801 -6.193 1.00 0.00 H new ATOM 349 P DT B 12 6.511 6.960 -9.464 1.00 0.00 P ATOM 350 OP1 DT B 12 7.803 7.607 -9.789 1.00 0.00 O ATOM 351 OP2 DT B 12 5.289 7.374 -10.188 1.00 0.00 O ATOM 352 O5' DT B 12 6.692 5.365 -9.672 1.00 0.00 O ATOM 353 C5' DT B 12 7.785 4.656 -9.115 1.00 0.00 C ATOM 354 C4' DT B 12 7.649 3.151 -9.385 1.00 0.00 C ATOM 355 O4' DT B 12 6.437 2.672 -8.821 1.00 0.00 O ATOM 356 C3' DT B 12 7.628 2.819 -10.883 1.00 0.00 C ATOM 357 O3' DT B 12 8.371 1.642 -11.132 1.00 0.00 O ATOM 358 C2' DT B 12 6.151 2.555 -11.147 1.00 0.00 C ATOM 359 C1' DT B 12 5.725 1.947 -9.807 1.00 0.00 C ATOM 360 N1 DT B 12 4.252 2.017 -9.552 1.00 0.00 N ATOM 361 C2 DT B 12 3.606 0.850 -9.136 1.00 0.00 C ATOM 362 O2 DT B 12 4.187 -0.218 -8.957 1.00 0.00 O ATOM 363 N3 DT B 12 2.238 0.948 -8.914 1.00 0.00 N ATOM 364 C4 DT B 12 1.459 2.089 -9.072 1.00 0.00 C ATOM 365 O4 DT B 12 0.253 2.050 -8.843 1.00 0.00 O ATOM 366 C5 DT B 12 2.199 3.265 -9.502 1.00 0.00 C ATOM 367 C7 DT B 12 1.449 4.576 -9.719 1.00 0.00 C ATOM 368 C6 DT B 12 3.540 3.189 -9.724 1.00 0.00 C ATOM 0 H5' DT B 12 7.832 4.835 -8.041 1.00 0.00 H new ATOM 0 H5'' DT B 12 8.719 5.024 -9.540 1.00 0.00 H new ATOM 0 H4' DT B 12 8.519 2.674 -8.934 1.00 0.00 H new ATOM 0 H3' DT B 12 8.056 3.604 -11.506 1.00 0.00 H new ATOM 0 H2' DT B 12 5.603 3.468 -11.380 1.00 0.00 H new ATOM 0 H2'' DT B 12 5.996 1.869 -11.980 1.00 0.00 H new ATOM 0 HO3' DT B 12 8.350 1.438 -12.090 1.00 0.00 H new ATOM 0 H1' DT B 12 5.952 0.881 -9.798 1.00 0.00 H new ATOM 0 H3 DT B 12 1.759 0.102 -8.606 1.00 0.00 H new ATOM 0 H71 DT B 12 2.114 5.414 -9.511 1.00 0.00 H new ATOM 0 H72 DT B 12 1.107 4.633 -10.752 1.00 0.00 H new ATOM 0 H73 DT B 12 0.590 4.619 -9.049 1.00 0.00 H new ATOM 0 H6 DT B 12 4.066 4.076 -10.046 1.00 0.00 H new TER 382 DT B 12 ATOM 383 O5' DT C 13 -10.737 -1.357 -9.054 1.00 0.00 O ATOM 384 C5' DT C 13 -10.615 -1.398 -7.648 1.00 0.00 C ATOM 385 C4' DT C 13 -9.849 -2.656 -7.226 1.00 0.00 C ATOM 386 O4' DT C 13 -8.528 -2.604 -7.743 1.00 0.00 O ATOM 387 C3' DT C 13 -9.724 -2.747 -5.702 1.00 0.00 C ATOM 388 O3' DT C 13 -9.782 -4.111 -5.318 1.00 0.00 O ATOM 389 C2' DT C 13 -8.388 -2.094 -5.458 1.00 0.00 C ATOM 390 C1' DT C 13 -7.610 -2.610 -6.665 1.00 0.00 C ATOM 391 N1 DT C 13 -6.461 -1.723 -6.962 1.00 0.00 N ATOM 392 C2 DT C 13 -5.180 -2.268 -7.062 1.00 0.00 C ATOM 393 O2 DT C 13 -4.951 -3.469 -6.937 1.00 0.00 O ATOM 394 N3 DT C 13 -4.155 -1.369 -7.337 1.00 0.00 N ATOM 395 C4 DT C 13 -4.302 0.006 -7.513 1.00 0.00 C ATOM 396 O4 DT C 13 -3.320 0.716 -7.715 1.00 0.00 O ATOM 397 C5 DT C 13 -5.669 0.483 -7.400 1.00 0.00 C ATOM 398 C7 DT C 13 -5.962 1.959 -7.576 1.00 0.00 C ATOM 399 C6 DT C 13 -6.681 -0.379 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H2' DC C 14 -5.817 -5.959 -1.976 1.00 0.00 H new ATOM 0 H2'' DC C 14 -4.795 -7.382 -1.980 1.00 0.00 H new ATOM 0 H1' DC C 14 -4.263 -7.177 -4.231 1.00 0.00 H new ATOM 0 H41 DC C 14 -3.607 -0.521 -4.104 1.00 0.00 H new ATOM 0 H42 DC C 14 -2.015 -1.189 -4.478 1.00 0.00 H new ATOM 0 H5 DC C 14 -5.554 -1.921 -3.697 1.00 0.00 H new ATOM 0 H6 DC C 14 -6.379 -4.219 -3.575 1.00 0.00 H new ATOM 443 P DT C 15 -6.288 -9.850 -1.240 1.00 0.00 P ATOM 444 OP1 DT C 15 -6.387 -11.311 -1.454 1.00 0.00 O ATOM 445 OP2 DT C 15 -7.168 -9.196 -0.246 1.00 0.00 O ATOM 446 O5' DT C 15 -4.760 -9.501 -0.859 1.00 0.00 O ATOM 447 C5' DT C 15 -3.669 -10.147 -1.486 1.00 0.00 C ATOM 448 C4' DT C 15 -2.371 -9.373 -1.231 1.00 0.00 C ATOM 449 O4' DT C 15 -2.356 -8.134 -1.927 1.00 0.00 O ATOM 450 C3' DT C 15 -2.127 -9.023 0.243 1.00 0.00 C ATOM 451 O3' DT C 15 -1.441 -10.061 0.934 1.00 0.00 O ATOM 452 C2' DT C 15 -1.228 -7.818 0.066 1.00 0.00 C ATOM 453 C1' DT C 15 -1.300 -7.368 -1.377 1.00 0.00 C ATOM 454 N1 DT C 15 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1.00 0.00 H new ATOM 0 H73 DT C 15 -4.758 -2.769 -0.852 1.00 0.00 H new ATOM 0 H6 DT C 15 -3.548 -6.177 -0.602 1.00 0.00 H new ATOM 475 P DT C 16 -0.942 -9.921 2.479 1.00 0.00 P ATOM 476 OP1 DT C 16 -0.526 -11.267 2.935 1.00 0.00 O ATOM 477 OP2 DT C 16 -1.996 -9.200 3.227 1.00 0.00 O ATOM 478 O5' DT C 16 0.383 -8.976 2.475 1.00 0.00 O ATOM 479 C5' DT C 16 1.624 -9.390 1.917 1.00 0.00 C ATOM 480 C4' DT C 16 2.654 -8.243 1.950 1.00 0.00 C ATOM 481 O4' DT C 16 2.108 -7.104 1.314 1.00 0.00 O ATOM 482 C3' DT C 16 3.073 -7.827 3.369 1.00 0.00 C ATOM 483 O3' DT C 16 4.423 -8.194 3.626 1.00 0.00 O ATOM 484 C2' DT C 16 2.903 -6.306 3.367 1.00 0.00 C ATOM 485 C1' DT C 16 2.617 -5.930 1.918 1.00 0.00 C ATOM 486 N1 DT C 16 1.571 -4.880 1.853 1.00 0.00 N ATOM 487 C2 DT C 16 1.868 -3.634 1.321 1.00 0.00 C ATOM 488 O2 DT C 16 2.998 -3.321 0.954 1.00 0.00 O ATOM 489 N3 DT C 16 0.817 -2.723 1.286 1.00 0.00 N ATOM 490 C4 DT C 16 -0.494 -2.960 1.721 1.00 0.00 C ATOM 491 O4 DT C 16 -1.345 -2.078 1.631 1.00 0.00 O ATOM 492 C5 DT C 16 -0.712 -4.290 2.276 1.00 0.00 C ATOM 493 C7 DT C 16 -2.080 -4.738 2.795 1.00 0.00 C ATOM 494 C6 DT C 16 0.316 -5.171 2.310 1.00 0.00 C ATOM 0 H5' DT C 16 1.473 -9.719 0.889 1.00 0.00 H new ATOM 0 H5'' DT C 16 2.009 -10.246 2.472 1.00 0.00 H new ATOM 0 H4' DT C 16 3.539 -8.619 1.438 1.00 0.00 H new ATOM 0 H3' DT C 16 2.483 -8.313 4.146 1.00 0.00 H new ATOM 0 H2' DT C 16 2.085 -6.002 4.020 1.00 0.00 H new ATOM 0 H2'' DT C 16 3.803 -5.810 3.731 1.00 0.00 H new ATOM 0 H1' DT C 16 3.514 -5.553 1.427 1.00 0.00 H new ATOM 0 H3 DT C 16 1.019 -1.797 0.909 1.00 0.00 H new ATOM 0 H71 DT C 16 -2.626 -3.874 3.175 1.00 0.00 H new ATOM 0 H72 DT C 16 -2.645 -5.196 1.983 1.00 0.00 H new ATOM 0 H73 DT C 16 -1.945 -5.464 3.597 1.00 0.00 H new ATOM 0 H6 DT C 16 0.135 -6.154 2.719 1.00 0.00 H new ATOM 507 P DC C 17 5.125 -8.002 5.081 1.00 0.00 P ATOM 508 OP1 DC C 17 6.401 -8.752 5.068 1.00 0.00 O ATOM 509 OP2 DC C 17 4.115 -8.306 6.121 1.00 0.00 O ATOM 510 O5' DC C 17 5.477 -6.423 5.183 1.00 0.00 O ATOM 511 C5' DC C 17 6.518 -5.837 4.420 1.00 0.00 C ATOM 512 C4' DC C 17 6.486 -4.304 4.517 1.00 0.00 C ATOM 513 O4' DC C 17 5.355 -3.747 3.866 1.00 0.00 O ATOM 514 C3' DC C 17 6.506 -3.765 5.955 1.00 0.00 C ATOM 515 O3' DC C 17 7.840 -3.439 6.310 1.00 0.00 O ATOM 516 C2' DC C 17 5.581 -2.568 5.839 1.00 0.00 C ATOM 517 C1' DC C 17 5.136 -2.446 4.389 1.00 0.00 C ATOM 518 N1 DC C 17 3.682 -2.120 4.420 1.00 0.00 N ATOM 519 C2 DC C 17 3.189 -0.867 4.068 1.00 0.00 C ATOM 520 O2 DC C 17 3.949 0.047 3.776 1.00 0.00 O ATOM 521 N3 DC C 17 1.836 -0.666 4.133 1.00 0.00 N ATOM 522 C4 DC C 17 0.986 -1.633 4.525 1.00 0.00 C ATOM 523 N4 DC C 17 -0.327 -1.357 4.563 1.00 0.00 N ATOM 524 C5 DC C 17 1.497 -2.927 4.904 1.00 0.00 C ATOM 525 C6 DC C 17 2.818 -3.090 4.824 1.00 0.00 C ATOM 0 H5' DC C 17 6.422 -6.140 3.377 1.00 0.00 H new ATOM 0 H5'' DC C 17 7.482 -6.206 4.772 1.00 0.00 H new ATOM 0 H4' DC C 17 7.405 -3.998 4.018 1.00 0.00 H new ATOM 0 H3' DC C 17 6.180 -4.450 6.737 1.00 0.00 H new ATOM 0 H2' DC C 17 4.717 -2.691 6.492 1.00 0.00 H new ATOM 0 H2'' DC C 17 6.094 -1.660 6.156 1.00 0.00 H new ATOM 0 H1' DC C 17 5.651 -1.688 3.799 1.00 0.00 H new ATOM 0 H41 DC C 17 -0.991 -2.074 4.857 1.00 0.00 H new ATOM 0 H42 DC C 17 -0.661 -0.430 4.298 1.00 0.00 H new ATOM 0 H5 DC C 17 0.845 -3.722 5.235 1.00 0.00 H new ATOM 0 H6 DC C 17 3.227 -4.051 5.097 1.00 0.00 H new ATOM 537 P DT C 18 8.274 -3.029 7.815 1.00 0.00 P ATOM 538 OP1 DT C 18 9.752 -3.070 7.889 1.00 0.00 O ATOM 539 OP2 DT C 18 7.474 -3.827 8.769 1.00 0.00 O ATOM 540 O5' DT C 18 7.812 -1.490 7.943 1.00 0.00 O ATOM 541 C5' DT C 18 8.447 -0.456 7.216 1.00 0.00 C ATOM 542 C4' DT C 18 7.746 0.876 7.500 1.00 0.00 C ATOM 543 O4' DT C 18 6.402 0.804 7.045 1.00 0.00 O ATOM 544 C3' DT C 18 7.714 1.190 9.004 1.00 0.00 C ATOM 545 O3' DT C 18 7.957 2.565 9.224 1.00 0.00 O ATOM 546 C2' DT C 18 6.280 0.839 9.387 1.00 0.00 C ATOM 547 C1' DT C 18 5.553 1.219 8.095 1.00 0.00 C ATOM 548 N1 DT C 18 4.171 0.665 7.954 1.00 0.00 N ATOM 549 C2 DT C 18 3.192 1.529 7.456 1.00 0.00 C ATOM 550 O2 DT C 18 3.425 2.688 7.115 1.00 0.00 O ATOM 551 N3 DT C 18 1.909 1.014 7.337 1.00 0.00 N ATOM 552 C4 DT C 18 1.513 -0.273 7.675 1.00 0.00 C ATOM 553 O4 DT C 18 0.343 -0.619 7.535 1.00 0.00 O ATOM 554 C5 DT C 18 2.582 -1.117 8.178 1.00 0.00 C ATOM 555 C7 DT C 18 2.245 -2.542 8.586 1.00 0.00 C ATOM 556 C6 DT C 18 3.850 -0.635 8.302 1.00 0.00 C ATOM 0 H5' DT C 18 8.415 -0.675 6.149 1.00 0.00 H new ATOM 0 H5'' DT C 18 9.498 -0.393 7.497 1.00 0.00 H new ATOM 0 H4' DT C 18 8.302 1.658 6.983 1.00 0.00 H new ATOM 0 H3' DT C 18 8.465 0.649 9.579 1.00 0.00 H new ATOM 0 H2' DT C 18 6.162 -0.216 9.635 1.00 0.00 H new ATOM 0 H2'' DT C 18 5.927 1.410 10.246 1.00 0.00 H new ATOM 0 HO3' DT C 18 7.932 2.752 10.186 1.00 0.00 H new ATOM 0 H1' DT C 18 5.374 2.294 8.087 1.00 0.00 H new ATOM 0 H3 DT C 18 1.192 1.638 6.968 1.00 0.00 H new ATOM 0 H71 DT C 18 3.114 -3.181 8.427 1.00 0.00 H new ATOM 0 H72 DT C 18 1.967 -2.563 9.640 1.00 0.00 H new ATOM 0 H73 DT C 18 1.412 -2.905 7.984 1.00 0.00 H new ATOM 0 H6 DT C 18 4.625 -1.284 8.682 1.00 0.00 H new TER 570 DT C 18