USER MOD reduce.3.24.130724 H: found=0, std=0, add=212, rem=0, adj=6 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= -0.529 (180deg=-0.529) USER MOD Set 1.2: C 16 DT C7 :methyl 150:sc= 0 (180deg=0) 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 9 DT C7 :methyl 150:sc= -0.27 (180deg=-0.27) USER MOD Single : B 10 DT C7 :methyl 150:sc= -0.431 (180deg=-0.431) USER MOD Single : B 12 DT C7 :methyl 150:sc=-0.000286 (180deg=-0.000286) 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 180:sc= 0 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 -3.384 -7.994 -8.413 1.00 0.00 O ATOM 2 C5' DA A 1 -2.653 -8.808 -9.306 1.00 0.00 C ATOM 3 C4' DA A 1 -1.142 -8.667 -9.085 1.00 0.00 C ATOM 4 O4' DA A 1 -0.751 -7.328 -9.335 1.00 0.00 O ATOM 5 C3' DA A 1 -0.718 -9.031 -7.658 1.00 0.00 C ATOM 6 O3' DA A 1 0.478 -9.791 -7.708 1.00 0.00 O ATOM 7 C2' DA A 1 -0.524 -7.661 -7.012 1.00 0.00 C ATOM 8 C1' DA A 1 -0.113 -6.785 -8.194 1.00 0.00 C ATOM 9 N9 DA A 1 -0.535 -5.366 -8.066 1.00 0.00 N ATOM 10 C8 DA A 1 -1.780 -4.869 -7.759 1.00 0.00 C ATOM 11 N7 DA A 1 -1.849 -3.568 -7.724 1.00 0.00 N ATOM 12 C5 DA A 1 -0.557 -3.163 -8.032 1.00 0.00 C ATOM 13 C6 DA A 1 0.040 -1.891 -8.169 1.00 0.00 C ATOM 14 N6 DA A 1 -0.623 -0.740 -8.010 1.00 0.00 N ATOM 15 N1 DA A 1 1.347 -1.834 -8.481 1.00 0.00 N ATOM 16 C2 DA A 1 2.026 -2.963 -8.649 1.00 0.00 C ATOM 17 N3 DA A 1 1.584 -4.217 -8.554 1.00 0.00 N ATOM 18 C4 DA A 1 0.257 -4.252 -8.239 1.00 0.00 C ATOM 0 H5' DA A 1 -2.899 -8.536 -10.332 1.00 0.00 H new ATOM 0 H5'' DA A 1 -2.946 -9.850 -9.174 1.00 0.00 H new ATOM 0 H4' DA A 1 -0.655 -9.359 -9.772 1.00 0.00 H new ATOM 0 H3' DA A 1 -1.428 -9.643 -7.102 1.00 0.00 H new ATOM 0 H2' DA A 1 -1.440 -7.302 -6.542 1.00 0.00 H new ATOM 0 H2'' DA A 1 0.244 -7.683 -6.239 1.00 0.00 H new ATOM 0 HO5' DA A 1 -4.343 -8.105 -8.580 1.00 0.00 H new ATOM 0 H1' DA A 1 0.975 -6.783 -8.252 1.00 0.00 H new ATOM 0 H8 DA A 1 -2.631 -5.505 -7.563 1.00 0.00 H new ATOM 0 H61 DA A 1 -0.136 0.149 -8.122 1.00 0.00 H new ATOM 0 H62 DA A 1 -1.616 -0.751 -7.777 1.00 0.00 H new ATOM 0 H2 DA A 1 3.072 -2.851 -8.894 1.00 0.00 H new ATOM 31 P DG A 2 1.152 -10.435 -6.384 1.00 0.00 P ATOM 32 OP1 DG A 2 1.941 -11.617 -6.797 1.00 0.00 O ATOM 33 OP2 DG A 2 0.110 -10.577 -5.342 1.00 0.00 O ATOM 34 O5' DG A 2 2.175 -9.283 -5.914 1.00 0.00 O ATOM 35 C5' DG A 2 3.389 -9.050 -6.600 1.00 0.00 C ATOM 36 C4' DG A 2 4.072 -7.806 -6.028 1.00 0.00 C ATOM 37 O4' DG A 2 3.282 -6.661 -6.292 1.00 0.00 O ATOM 38 C3' DG A 2 4.288 -7.881 -4.507 1.00 0.00 C ATOM 39 O3' DG A 2 5.680 -7.820 -4.244 1.00 0.00 O ATOM 40 C2' DG A 2 3.515 -6.658 -3.991 1.00 0.00 C ATOM 41 C1' DG A 2 3.474 -5.770 -5.217 1.00 0.00 C ATOM 42 N9 DG A 2 2.360 -4.807 -5.131 1.00 0.00 N ATOM 43 C8 DG A 2 1.035 -5.068 -4.907 1.00 0.00 C ATOM 44 N7 DG A 2 0.276 -4.010 -4.880 1.00 0.00 N ATOM 45 C5 DG A 2 1.166 -2.966 -5.104 1.00 0.00 C ATOM 46 C6 DG A 2 0.929 -1.563 -5.181 1.00 0.00 C ATOM 47 O6 DG A 2 -0.141 -0.975 -5.064 1.00 0.00 O ATOM 48 N1 DG A 2 2.098 -0.840 -5.421 1.00 0.00 N ATOM 49 C2 DG A 2 3.354 -1.407 -5.567 1.00 0.00 C ATOM 50 N2 DG A 2 4.380 -0.576 -5.784 1.00 0.00 N ATOM 51 N3 DG A 2 3.576 -2.729 -5.492 1.00 0.00 N ATOM 52 C4 DG A 2 2.444 -3.447 -5.260 1.00 0.00 C ATOM 0 H5' DG A 2 3.197 -8.914 -7.664 1.00 0.00 H new ATOM 0 H5'' DG A 2 4.045 -9.915 -6.502 1.00 0.00 H new ATOM 0 H4' DG A 2 5.047 -7.746 -6.512 1.00 0.00 H new ATOM 0 H3' DG A 2 3.940 -8.795 -4.026 1.00 0.00 H new ATOM 0 H2' DG A 2 2.516 -6.923 -3.646 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.024 -6.177 -3.156 1.00 0.00 H new ATOM 0 H1' DG A 2 4.381 -5.176 -5.327 1.00 0.00 H new ATOM 0 H8 DG A 2 0.651 -6.067 -4.765 1.00 0.00 H new ATOM 0 H1 DG A 2 2.023 0.175 -5.494 1.00 0.00 H new ATOM 0 H21 DG A 2 5.323 -0.948 -5.898 1.00 0.00 H new ATOM 0 H22 DG A 2 4.219 0.430 -5.836 1.00 0.00 H new ATOM 64 P DA A 3 6.289 -7.823 -2.745 1.00 0.00 P ATOM 65 OP1 DA A 3 7.673 -8.342 -2.806 1.00 0.00 O ATOM 66 OP2 DA A 3 5.306 -8.449 -1.831 1.00 0.00 O ATOM 67 O5' DA A 3 6.352 -6.248 -2.418 1.00 0.00 O ATOM 68 C5' DA A 3 7.190 -5.385 -3.160 1.00 0.00 C ATOM 69 C4' DA A 3 6.901 -3.929 -2.802 1.00 0.00 C ATOM 70 O4' DA A 3 5.574 -3.558 -3.109 1.00 0.00 O ATOM 71 C3' DA A 3 7.124 -3.587 -1.323 1.00 0.00 C ATOM 72 O3' DA A 3 8.386 -2.960 -1.184 1.00 0.00 O ATOM 73 C2' DA A 3 5.908 -2.712 -0.988 1.00 0.00 C ATOM 74 C1' DA A 3 5.324 -2.392 -2.355 1.00 0.00 C ATOM 75 N9 DA A 3 3.875 -2.155 -2.223 1.00 0.00 N ATOM 76 C8 DA A 3 2.888 -3.069 -1.944 1.00 0.00 C ATOM 77 N7 DA A 3 1.694 -2.549 -1.893 1.00 0.00 N ATOM 78 C5 DA A 3 1.898 -1.200 -2.150 1.00 0.00 C ATOM 79 C6 DA A 3 1.030 -0.091 -2.239 1.00 0.00 C ATOM 80 N6 DA A 3 -0.295 -0.174 -2.079 1.00 0.00 N ATOM 81 N1 DA A 3 1.564 1.115 -2.504 1.00 0.00 N ATOM 82 C2 DA A 3 2.877 1.222 -2.669 1.00 0.00 C ATOM 83 N3 DA A 3 3.799 0.263 -2.614 1.00 0.00 N ATOM 84 C4 DA A 3 3.234 -0.948 -2.348 1.00 0.00 C ATOM 0 H5' DA A 3 7.032 -5.542 -4.227 1.00 0.00 H new ATOM 0 H5'' DA A 3 8.235 -5.617 -2.955 1.00 0.00 H new ATOM 0 H4' DA A 3 7.618 -3.375 -3.408 1.00 0.00 H new ATOM 0 H3' DA A 3 7.173 -4.429 -0.633 1.00 0.00 H new ATOM 0 H2' DA A 3 5.193 -3.241 -0.358 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.198 -1.808 -0.452 1.00 0.00 H new ATOM 0 H1' DA A 3 5.752 -1.502 -2.816 1.00 0.00 H new ATOM 0 H8 DA A 3 3.083 -4.119 -1.782 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.871 0.664 -2.155 1.00 0.00 H new ATOM 0 H62 DA A 3 -0.729 -1.075 -1.881 1.00 0.00 H new ATOM 0 H2 DA A 3 3.245 2.216 -2.875 1.00 0.00 H new ATOM 96 P DA A 4 8.971 -2.489 0.245 1.00 0.00 P ATOM 97 OP1 DA A 4 10.422 -2.241 0.095 1.00 0.00 O ATOM 98 OP2 DA A 4 8.484 -3.417 1.292 1.00 0.00 O ATOM 99 O5' DA A 4 8.235 -1.074 0.442 1.00 0.00 O ATOM 100 C5' DA A 4 8.429 -0.009 -0.468 1.00 0.00 C ATOM 101 C4' DA A 4 7.444 1.118 -0.161 1.00 0.00 C ATOM 102 O4' DA A 4 6.104 0.770 -0.467 1.00 0.00 O ATOM 103 C3' DA A 4 7.484 1.554 1.311 1.00 0.00 C ATOM 104 O3' DA A 4 8.068 2.840 1.449 1.00 0.00 O ATOM 105 C2' DA A 4 6.006 1.522 1.678 1.00 0.00 C ATOM 106 C1' DA A 4 5.298 1.595 0.345 1.00 0.00 C ATOM 107 N9 DA A 4 3.940 1.063 0.548 1.00 0.00 N ATOM 108 C8 DA A 4 3.566 -0.222 0.834 1.00 0.00 C ATOM 109 N7 DA A 4 2.281 -0.386 0.960 1.00 0.00 N ATOM 110 C5 DA A 4 1.763 0.882 0.749 1.00 0.00 C ATOM 111 C6 DA A 4 0.449 1.397 0.743 1.00 0.00 C ATOM 112 N6 DA A 4 -0.633 0.636 0.959 1.00 0.00 N ATOM 113 N1 DA A 4 0.293 2.714 0.499 1.00 0.00 N ATOM 114 C2 DA A 4 1.366 3.470 0.277 1.00 0.00 C ATOM 115 N3 DA A 4 2.643 3.108 0.255 1.00 0.00 N ATOM 116 C4 DA A 4 2.774 1.777 0.500 1.00 0.00 C ATOM 0 H5' DA A 4 8.287 -0.361 -1.490 1.00 0.00 H new ATOM 0 H5'' DA A 4 9.452 0.360 -0.398 1.00 0.00 H new ATOM 0 H4' DA A 4 7.767 1.941 -0.799 1.00 0.00 H new ATOM 0 H3' DA A 4 8.095 0.926 1.959 1.00 0.00 H new ATOM 0 H2' DA A 4 5.748 0.611 2.218 1.00 0.00 H new ATOM 0 H2'' DA A 4 5.736 2.360 2.320 1.00 0.00 H new ATOM 0 H1' DA A 4 5.181 2.584 -0.097 1.00 0.00 H new ATOM 0 H8 DA A 4 4.275 -1.029 0.945 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.563 1.055 0.945 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.527 -0.363 1.138 1.00 0.00 H new ATOM 0 H2 DA A 4 1.172 4.516 0.090 1.00 0.00 H new ATOM 128 P DG A 5 8.374 3.495 2.901 1.00 0.00 P ATOM 129 OP1 DG A 5 9.522 4.417 2.752 1.00 0.00 O ATOM 130 OP2 DG A 5 8.434 2.411 3.908 1.00 0.00 O ATOM 131 O5' DG A 5 7.059 4.377 3.205 1.00 0.00 O ATOM 132 C5' DG A 5 6.795 5.571 2.495 1.00 0.00 C ATOM 133 C4' DG A 5 5.460 6.165 2.945 1.00 0.00 C ATOM 134 O4' DG A 5 4.413 5.248 2.691 1.00 0.00 O ATOM 135 C3' DG A 5 5.410 6.519 4.442 1.00 0.00 C ATOM 136 O3' DG A 5 5.160 7.911 4.564 1.00 0.00 O ATOM 137 C2' DG A 5 4.266 5.647 4.957 1.00 0.00 C ATOM 138 C1' DG A 5 3.443 5.453 3.693 1.00 0.00 C ATOM 139 N9 DG A 5 2.560 4.272 3.793 1.00 0.00 N ATOM 140 C8 DG A 5 2.902 2.971 4.050 1.00 0.00 C ATOM 141 N7 DG A 5 1.890 2.154 4.073 1.00 0.00 N ATOM 142 C5 DG A 5 0.793 2.961 3.824 1.00 0.00 C ATOM 143 C6 DG A 5 -0.589 2.623 3.731 1.00 0.00 C ATOM 144 O6 DG A 5 -1.101 1.510 3.843 1.00 0.00 O ATOM 145 N1 DG A 5 -1.383 3.743 3.476 1.00 0.00 N ATOM 146 C2 DG A 5 -0.897 5.035 3.333 1.00 0.00 C ATOM 147 N2 DG A 5 -1.788 6.009 3.112 1.00 0.00 N ATOM 148 N3 DG A 5 0.406 5.346 3.419 1.00 0.00 N ATOM 149 C4 DG A 5 1.194 4.267 3.659 1.00 0.00 C ATOM 0 H5' DG A 5 6.769 5.369 1.424 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.597 6.289 2.665 1.00 0.00 H new ATOM 0 H4' DG A 5 5.345 7.087 2.375 1.00 0.00 H new ATOM 0 H3' DG A 5 6.325 6.335 5.005 1.00 0.00 H new ATOM 0 H2' DG A 5 4.622 4.701 5.364 1.00 0.00 H new ATOM 0 H2'' DG A 5 3.697 6.140 5.746 1.00 0.00 H new ATOM 0 H1' DG A 5 2.787 6.301 3.498 1.00 0.00 H new ATOM 0 H8 DG A 5 3.920 2.652 4.218 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.389 3.602 3.389 1.00 0.00 H new ATOM 0 H21 DG A 5 -1.473 6.973 3.001 1.00 0.00 H new ATOM 0 H22 DG A 5 -2.782 5.787 3.055 1.00 0.00 H new ATOM 161 P DA A 6 4.978 8.650 5.990 1.00 0.00 P ATOM 162 OP1 DA A 6 5.356 10.072 5.825 1.00 0.00 O ATOM 163 OP2 DA A 6 5.635 7.833 7.035 1.00 0.00 O ATOM 164 O5' DA A 6 3.383 8.574 6.220 1.00 0.00 O ATOM 165 C5' DA A 6 2.485 9.300 5.403 1.00 0.00 C ATOM 166 C4' DA A 6 1.041 9.006 5.818 1.00 0.00 C ATOM 167 O4' DA A 6 0.733 7.643 5.570 1.00 0.00 O ATOM 168 C3' DA A 6 0.800 9.264 7.315 1.00 0.00 C ATOM 169 O3' DA A 6 -0.378 10.023 7.492 1.00 0.00 O ATOM 170 C2' DA A 6 0.591 7.859 7.868 1.00 0.00 C ATOM 171 C1' DA A 6 -0.041 7.188 6.658 1.00 0.00 C ATOM 172 N9 DA A 6 -0.028 5.722 6.778 1.00 0.00 N ATOM 173 C8 DA A 6 0.989 4.831 7.011 1.00 0.00 C ATOM 174 N7 DA A 6 0.594 3.586 7.051 1.00 0.00 N ATOM 175 C5 DA A 6 -0.778 3.659 6.833 1.00 0.00 C ATOM 176 C6 DA A 6 -1.820 2.706 6.751 1.00 0.00 C ATOM 177 N6 DA A 6 -1.613 1.392 6.885 1.00 0.00 N ATOM 178 N1 DA A 6 -3.077 3.153 6.522 1.00 0.00 N ATOM 179 C2 DA A 6 -3.276 4.465 6.385 1.00 0.00 C ATOM 180 N3 DA A 6 -2.396 5.443 6.441 1.00 0.00 N ATOM 181 C4 DA A 6 -1.151 4.965 6.669 1.00 0.00 C ATOM 0 H5' DA A 6 2.633 9.030 4.357 1.00 0.00 H new ATOM 0 H5'' DA A 6 2.686 10.368 5.488 1.00 0.00 H new ATOM 0 H4' DA A 6 0.409 9.673 5.232 1.00 0.00 H new ATOM 0 H3' DA A 6 1.609 9.813 7.797 1.00 0.00 H new ATOM 0 H2' DA A 6 1.526 7.385 8.166 1.00 0.00 H new ATOM 0 H2'' DA A 6 -0.063 7.848 8.740 1.00 0.00 H new ATOM 0 HO3' DA A 6 -0.525 10.181 8.448 1.00 0.00 H new ATOM 0 H1' DA A 6 -1.095 7.440 6.543 1.00 0.00 H new ATOM 0 H8 DA A 6 2.018 5.130 7.148 1.00 0.00 H new ATOM 0 H61 DA A 6 -2.397 0.743 6.818 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.671 1.039 7.054 1.00 0.00 H new ATOM 0 H2 DA A 6 -4.297 4.766 6.204 1.00 0.00 H new TER 194 DA A 6 ATOM 195 O5' DT B 7 -11.013 -1.492 7.788 1.00 0.00 O ATOM 196 C5' DT B 7 -11.118 -1.175 6.417 1.00 0.00 C ATOM 197 C4' DT B 7 -10.977 0.339 6.218 1.00 0.00 C ATOM 198 O4' DT B 7 -9.691 0.760 6.654 1.00 0.00 O ATOM 199 C3' DT B 7 -11.097 0.715 4.738 1.00 0.00 C ATOM 200 O3' DT B 7 -11.708 1.991 4.643 1.00 0.00 O ATOM 201 C2' DT B 7 -9.638 0.697 4.301 1.00 0.00 C ATOM 202 C1' DT B 7 -8.939 1.225 5.545 1.00 0.00 C ATOM 203 N1 DT B 7 -7.528 0.760 5.653 1.00 0.00 N ATOM 204 C2 DT B 7 -6.511 1.700 5.843 1.00 0.00 C ATOM 205 O2 DT B 7 -6.717 2.910 5.919 1.00 0.00 O ATOM 206 N3 DT B 7 -5.218 1.193 5.938 1.00 0.00 N ATOM 207 C4 DT B 7 -4.857 -0.148 5.863 1.00 0.00 C ATOM 208 O4 DT B 7 -3.681 -0.486 5.965 1.00 0.00 O ATOM 209 C5 DT B 7 -5.971 -1.055 5.663 1.00 0.00 C ATOM 210 C7 DT B 7 -5.703 -2.545 5.565 1.00 0.00 C ATOM 211 C6 DT B 7 -7.238 -0.582 5.569 1.00 0.00 C ATOM 0 H5' DT B 7 -12.079 -1.513 6.029 1.00 0.00 H new ATOM 0 H5'' DT B 7 -10.345 -1.698 5.854 1.00 0.00 H new ATOM 0 H4' DT B 7 -11.770 0.820 6.790 1.00 0.00 H new ATOM 0 H3' DT B 7 -11.711 0.063 4.117 1.00 0.00 H new ATOM 0 H2' DT B 7 -9.302 -0.306 4.037 1.00 0.00 H new ATOM 0 H2'' DT B 7 -9.463 1.331 3.432 1.00 0.00 H new ATOM 0 HO5' DT B 7 -11.105 -2.460 7.908 1.00 0.00 H new ATOM 0 H1' DT B 7 -8.892 2.313 5.504 1.00 0.00 H new ATOM 0 H3 DT B 7 -4.465 1.868 6.075 1.00 0.00 H new ATOM 0 H71 DT B 7 -6.565 -3.095 5.942 1.00 0.00 H new ATOM 0 H72 DT B 7 -5.527 -2.815 4.524 1.00 0.00 H new ATOM 0 H73 DT B 7 -4.824 -2.796 6.159 1.00 0.00 H new ATOM 0 H6 DT B 7 -8.047 -1.283 5.423 1.00 0.00 H new ATOM 225 P DC B 8 -12.118 2.655 3.226 1.00 0.00 P ATOM 226 OP1 DC B 8 -13.300 3.517 3.445 1.00 0.00 O ATOM 227 OP2 DC B 8 -12.166 1.590 2.198 1.00 0.00 O ATOM 228 O5' DC B 8 -10.853 3.597 2.910 1.00 0.00 O ATOM 229 C5' DC B 8 -10.701 4.866 3.518 1.00 0.00 C ATOM 230 C4' DC B 8 -9.349 5.460 3.121 1.00 0.00 C ATOM 231 O4' DC B 8 -8.309 4.632 3.591 1.00 0.00 O ATOM 232 C3' DC B 8 -9.160 5.578 1.603 1.00 0.00 C ATOM 233 O3' DC B 8 -9.442 6.910 1.197 1.00 0.00 O ATOM 234 C2' DC B 8 -7.693 5.179 1.406 1.00 0.00 C ATOM 235 C1' DC B 8 -7.168 4.917 2.812 1.00 0.00 C ATOM 236 N1 DC B 8 -6.268 3.739 2.825 1.00 0.00 N ATOM 237 C2 DC B 8 -4.941 3.878 3.227 1.00 0.00 C ATOM 238 O2 DC B 8 -4.487 4.980 3.521 1.00 0.00 O ATOM 239 N3 DC B 8 -4.151 2.767 3.233 1.00 0.00 N ATOM 240 C4 DC B 8 -4.625 1.565 2.867 1.00 0.00 C ATOM 241 N4 DC B 8 -3.795 0.513 2.898 1.00 0.00 N ATOM 242 C5 DC B 8 -5.993 1.406 2.446 1.00 0.00 C ATOM 243 C6 DC B 8 -6.765 2.519 2.445 1.00 0.00 C ATOM 0 H5' DC B 8 -10.765 4.772 4.602 1.00 0.00 H new ATOM 0 H5'' DC B 8 -11.508 5.530 3.207 1.00 0.00 H new ATOM 0 H4' DC B 8 -9.323 6.457 3.561 1.00 0.00 H new ATOM 0 H3' DC B 8 -9.822 4.953 1.004 1.00 0.00 H new ATOM 0 H2' DC B 8 -7.605 4.291 0.779 1.00 0.00 H new ATOM 0 H2'' DC B 8 -7.130 5.973 0.915 1.00 0.00 H new ATOM 0 H1' DC B 8 -6.603 5.770 3.186 1.00 0.00 H new ATOM 0 H41 DC B 8 -4.131 -0.410 2.625 1.00 0.00 H new ATOM 0 H42 DC B 8 -2.827 0.636 3.195 1.00 0.00 H new ATOM 0 H5 DC B 8 -6.385 0.445 2.145 1.00 0.00 H new ATOM 0 H6 DC B 8 -7.797 2.444 2.137 1.00 0.00 H new ATOM 255 P DT B 9 -9.378 7.392 -0.351 1.00 0.00 P ATOM 256 OP1 DT B 9 -10.101 8.678 -0.459 1.00 0.00 O ATOM 257 OP2 DT B 9 -9.774 6.255 -1.211 1.00 0.00 O ATOM 258 O5' DT B 9 -7.808 7.681 -0.595 1.00 0.00 O ATOM 259 C5' DT B 9 -7.129 8.723 0.082 1.00 0.00 C ATOM 260 C4' DT B 9 -5.618 8.581 -0.121 1.00 0.00 C ATOM 261 O4' DT B 9 -5.164 7.342 0.390 1.00 0.00 O ATOM 262 C3' DT B 9 -5.195 8.655 -1.595 1.00 0.00 C ATOM 263 O3' DT B 9 -4.535 9.890 -1.827 1.00 0.00 O ATOM 264 C2' DT B 9 -4.296 7.433 -1.753 1.00 0.00 C ATOM 265 C1' DT B 9 -4.010 6.973 -0.331 1.00 0.00 C ATOM 266 N1 DT B 9 -3.807 5.501 -0.320 1.00 0.00 N ATOM 267 C2 DT B 9 -2.556 4.983 0.014 1.00 0.00 C ATOM 268 O2 DT B 9 -1.577 5.688 0.246 1.00 0.00 O ATOM 269 N3 DT B 9 -2.446 3.597 0.002 1.00 0.00 N ATOM 270 C4 DT B 9 -3.458 2.694 -0.311 1.00 0.00 C ATOM 271 O4 DT B 9 -3.252 1.485 -0.251 1.00 0.00 O ATOM 272 C5 DT B 9 -4.723 3.318 -0.655 1.00 0.00 C ATOM 273 C7 DT B 9 -5.915 2.462 -1.034 1.00 0.00 C ATOM 274 C6 DT B 9 -4.850 4.666 -0.645 1.00 0.00 C ATOM 0 H5' DT B 9 -7.366 8.692 1.145 1.00 0.00 H new ATOM 0 H5'' DT B 9 -7.465 9.690 -0.291 1.00 0.00 H new ATOM 0 H4' DT B 9 -5.172 9.421 0.412 1.00 0.00 H new ATOM 0 H3' DT B 9 -6.009 8.633 -2.319 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.790 6.651 -2.330 1.00 0.00 H new ATOM 0 H2'' DT B 9 -3.376 7.685 -2.280 1.00 0.00 H new ATOM 0 H1' DT B 9 -3.111 7.414 0.099 1.00 0.00 H new ATOM 0 H3 DT B 9 -1.537 3.204 0.246 1.00 0.00 H new ATOM 0 H71 DT B 9 -6.835 2.971 -0.747 1.00 0.00 H new ATOM 0 H72 DT B 9 -5.914 2.294 -2.111 1.00 0.00 H new ATOM 0 H73 DT B 9 -5.854 1.504 -0.517 1.00 0.00 H new ATOM 0 H6 DT B 9 -5.805 5.101 -0.901 1.00 0.00 H new ATOM 287 P DT B 10 -4.006 10.346 -3.287 1.00 0.00 P ATOM 288 OP1 DT B 10 -3.833 11.816 -3.274 1.00 0.00 O ATOM 289 OP2 DT B 10 -4.865 9.719 -4.317 1.00 0.00 O ATOM 290 O5' DT B 10 -2.543 9.672 -3.378 1.00 0.00 O ATOM 291 C5' DT B 10 -1.475 10.094 -2.552 1.00 0.00 C ATOM 292 C4' DT B 10 -0.261 9.188 -2.774 1.00 0.00 C ATOM 293 O4' DT B 10 -0.580 7.858 -2.420 1.00 0.00 O ATOM 294 C3' DT B 10 0.221 9.171 -4.231 1.00 0.00 C ATOM 295 O3' DT B 10 1.472 9.836 -4.329 1.00 0.00 O ATOM 296 C2' DT B 10 0.300 7.678 -4.570 1.00 0.00 C ATOM 297 C1' DT B 10 0.208 6.992 -3.208 1.00 0.00 C ATOM 298 N1 DT B 10 -0.433 5.649 -3.225 1.00 0.00 N ATOM 299 C2 DT B 10 0.324 4.537 -2.856 1.00 0.00 C ATOM 300 O2 DT B 10 1.518 4.596 -2.570 1.00 0.00 O ATOM 301 N3 DT B 10 -0.333 3.314 -2.880 1.00 0.00 N ATOM 302 C4 DT B 10 -1.663 3.103 -3.233 1.00 0.00 C ATOM 303 O4 DT B 10 -2.144 1.972 -3.187 1.00 0.00 O ATOM 304 C5 DT B 10 -2.377 4.311 -3.611 1.00 0.00 C ATOM 305 C7 DT B 10 -3.835 4.233 -4.025 1.00 0.00 C ATOM 306 C6 DT B 10 -1.752 5.514 -3.591 1.00 0.00 C ATOM 0 H5' DT B 10 -1.778 10.062 -1.505 1.00 0.00 H new ATOM 0 H5'' DT B 10 -1.215 11.128 -2.778 1.00 0.00 H new ATOM 0 H4' DT B 10 0.534 9.595 -2.149 1.00 0.00 H new ATOM 0 H3' DT B 10 -0.433 9.694 -4.928 1.00 0.00 H new ATOM 0 H2' DT B 10 -0.514 7.373 -5.228 1.00 0.00 H new ATOM 0 H2'' DT B 10 1.231 7.432 -5.080 1.00 0.00 H new ATOM 0 H1' DT B 10 1.217 6.818 -2.834 1.00 0.00 H new ATOM 0 H3 DT B 10 0.210 2.493 -2.614 1.00 0.00 H new ATOM 0 H71 DT B 10 -4.338 5.164 -3.763 1.00 0.00 H new ATOM 0 H72 DT B 10 -3.900 4.077 -5.102 1.00 0.00 H new ATOM 0 H73 DT B 10 -4.316 3.402 -3.508 1.00 0.00 H new ATOM 0 H6 DT B 10 -2.309 6.396 -3.872 1.00 0.00 H new ATOM 319 P DC B 11 2.180 10.154 -5.752 1.00 0.00 P ATOM 320 OP1 DC B 11 3.083 11.313 -5.565 1.00 0.00 O ATOM 321 OP2 DC B 11 1.132 10.205 -6.797 1.00 0.00 O ATOM 322 O5' DC B 11 3.088 8.847 -6.024 1.00 0.00 O ATOM 323 C5' DC B 11 4.363 8.688 -5.430 1.00 0.00 C ATOM 324 C4' DC B 11 4.906 7.287 -5.725 1.00 0.00 C ATOM 325 O4' DC B 11 4.108 6.299 -5.092 1.00 0.00 O ATOM 326 C3' DC B 11 4.945 6.944 -7.221 1.00 0.00 C ATOM 327 O3' DC B 11 6.215 7.232 -7.787 1.00 0.00 O ATOM 328 C2' DC B 11 4.639 5.465 -7.177 1.00 0.00 C ATOM 329 C1' DC B 11 4.336 5.070 -5.757 1.00 0.00 C ATOM 330 N1 DC B 11 3.111 4.221 -5.778 1.00 0.00 N ATOM 331 C2 DC B 11 3.201 2.859 -5.503 1.00 0.00 C ATOM 332 O2 DC B 11 4.292 2.330 -5.297 1.00 0.00 O ATOM 333 N3 DC B 11 2.052 2.122 -5.528 1.00 0.00 N ATOM 334 C4 DC B 11 0.860 2.678 -5.803 1.00 0.00 C ATOM 335 N4 DC B 11 -0.235 1.906 -5.811 1.00 0.00 N ATOM 336 C5 DC B 11 0.752 4.080 -6.097 1.00 0.00 C ATOM 337 C6 DC B 11 1.898 4.793 -6.069 1.00 0.00 C ATOM 0 H5' DC B 11 4.293 8.841 -4.353 1.00 0.00 H new ATOM 0 H5'' DC B 11 5.050 9.442 -5.815 1.00 0.00 H new ATOM 0 H4' DC B 11 5.926 7.292 -5.341 1.00 0.00 H new ATOM 0 H3' DC B 11 4.257 7.514 -7.845 1.00 0.00 H new ATOM 0 H2' DC B 11 3.790 5.237 -7.821 1.00 0.00 H new ATOM 0 H2'' DC B 11 5.487 4.894 -7.554 1.00 0.00 H new ATOM 0 H1' DC B 11 5.126 4.503 -5.264 1.00 0.00 H new ATOM 0 H41 DC B 11 -1.146 2.315 -6.018 1.00 0.00 H new ATOM 0 H42 DC B 11 -0.158 0.909 -5.610 1.00 0.00 H new ATOM 0 H5 DC B 11 -0.197 4.540 -6.329 1.00 0.00 H new ATOM 0 H6 DC B 11 1.859 5.851 -6.283 1.00 0.00 H new ATOM 349 P DT B 12 6.545 7.008 -9.361 1.00 0.00 P ATOM 350 OP1 DT B 12 7.828 7.684 -9.652 1.00 0.00 O ATOM 351 OP2 DT B 12 5.339 7.368 -10.140 1.00 0.00 O ATOM 352 O5' DT B 12 6.778 5.415 -9.520 1.00 0.00 O ATOM 353 C5' DT B 12 7.866 4.751 -8.902 1.00 0.00 C ATOM 354 C4' DT B 12 7.785 3.237 -9.144 1.00 0.00 C ATOM 355 O4' DT B 12 6.560 2.738 -8.626 1.00 0.00 O ATOM 356 C3' DT B 12 7.844 2.873 -10.633 1.00 0.00 C ATOM 357 O3' DT B 12 8.659 1.735 -10.826 1.00 0.00 O ATOM 358 C2' DT B 12 6.394 2.533 -10.956 1.00 0.00 C ATOM 359 C1' DT B 12 5.923 1.956 -9.619 1.00 0.00 C ATOM 360 N1 DT B 12 4.438 1.987 -9.442 1.00 0.00 N ATOM 361 C2 DT B 12 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DT B 12 0.693 4.502 -9.156 1.00 0.00 H new ATOM 0 H6 DT B 12 4.228 4.038 -9.960 1.00 0.00 H new TER 382 DT B 12 ATOM 383 O5' DT C 13 -10.242 -0.465 -7.743 1.00 0.00 O ATOM 384 C5' DT C 13 -10.625 -1.772 -8.114 1.00 0.00 C ATOM 385 C4' DT C 13 -9.677 -2.824 -7.527 1.00 0.00 C ATOM 386 O4' DT C 13 -8.359 -2.614 -8.007 1.00 0.00 O ATOM 387 C3' DT C 13 -9.614 -2.797 -5.993 1.00 0.00 C ATOM 388 O3' DT C 13 -9.681 -4.133 -5.522 1.00 0.00 O ATOM 389 C2' DT C 13 -8.293 -2.119 -5.731 1.00 0.00 C ATOM 390 C1' DT C 13 -7.472 -2.647 -6.904 1.00 0.00 C ATOM 391 N1 DT C 13 -6.305 -1.771 -7.161 1.00 0.00 N ATOM 392 C2 DT C 13 -5.025 -2.325 -7.204 1.00 0.00 C ATOM 393 O2 DT C 13 -4.808 -3.525 -7.055 1.00 0.00 O ATOM 394 N3 DT C 13 -3.984 -1.433 -7.444 1.00 0.00 N ATOM 395 C4 DT C 13 -4.116 -0.060 -7.639 1.00 0.00 C ATOM 396 O4 DT C 13 -3.124 0.643 -7.816 1.00 0.00 O ATOM 397 C5 DT C 13 -5.485 0.425 -7.584 1.00 0.00 C ATOM 398 C7 DT C 13 -5.762 1.901 -7.783 1.00 0.00 C ATOM 399 C6 DT C 13 -6.511 -0.428 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-4.468 1.00 0.00 C ATOM 418 C4' DC C 14 -7.159 -7.415 -4.318 1.00 0.00 C ATOM 419 O4' DC C 14 -6.196 -6.529 -4.855 1.00 0.00 O ATOM 420 C3' DC C 14 -6.800 -7.703 -2.856 1.00 0.00 C ATOM 421 O3' DC C 14 -6.517 -9.091 -2.729 1.00 0.00 O ATOM 422 C2' DC C 14 -5.573 -6.824 -2.606 1.00 0.00 C ATOM 423 C1' DC C 14 -5.069 -6.468 -4.005 1.00 0.00 C ATOM 424 N1 DC C 14 -4.514 -5.085 -4.088 1.00 0.00 N ATOM 425 C2 DC C 14 -3.159 -4.884 -4.375 1.00 0.00 C ATOM 426 O2 DC C 14 -2.396 -5.832 -4.544 1.00 0.00 O ATOM 427 N3 DC C 14 -2.697 -3.598 -4.449 1.00 0.00 N ATOM 428 C4 DC C 14 -3.511 -2.547 -4.256 1.00 0.00 C ATOM 429 N4 DC C 14 -3.011 -1.307 -4.343 1.00 0.00 N ATOM 430 C5 DC C 14 -4.904 -2.736 -3.957 1.00 0.00 C ATOM 431 C6 DC C 14 -5.350 -4.012 -3.886 1.00 0.00 C ATOM 0 H5' DC C 14 -8.778 -6.639 -5.523 1.00 0.00 H new ATOM 0 H5'' DC C 14 -9.306 -7.459 -4.067 1.00 0.00 H new ATOM 0 H4' DC C 14 -7.168 -8.366 -4.851 1.00 0.00 H new ATOM 0 H3' DC C 14 -7.588 -7.484 -2.135 1.00 0.00 H new ATOM 0 H2' DC C 14 -5.833 -5.931 -2.038 1.00 0.00 H new ATOM 0 H2'' DC C 14 -4.813 -7.356 -2.033 1.00 0.00 H new ATOM 0 H1' DC C 14 -4.269 -7.157 -4.278 1.00 0.00 H new ATOM 0 H41 DC C 14 -3.619 -0.501 -4.199 1.00 0.00 H new ATOM 0 H42 DC C 14 -2.023 -1.169 -4.554 1.00 0.00 H new ATOM 0 H5 DC C 14 -5.565 -1.897 -3.796 1.00 0.00 H new ATOM 0 H6 DC C 14 -6.392 -4.192 -3.665 1.00 0.00 H new ATOM 443 P DT C 15 -6.314 -9.822 -1.296 1.00 0.00 P ATOM 444 OP1 DT C 15 -6.422 -11.284 -1.507 1.00 0.00 O ATOM 445 OP2 DT C 15 -7.189 -9.160 -0.302 1.00 0.00 O ATOM 446 O5' DT C 15 -4.783 -9.483 -0.918 1.00 0.00 O ATOM 447 C5' DT C 15 -3.696 -10.135 -1.546 1.00 0.00 C ATOM 448 C4' DT C 15 -2.394 -9.372 -1.279 1.00 0.00 C ATOM 449 O4' DT C 15 -2.372 -8.127 -1.962 1.00 0.00 O ATOM 450 C3' DT C 15 -2.156 -9.043 0.199 1.00 0.00 C ATOM 451 O3' DT C 15 -1.460 -10.086 0.870 1.00 0.00 O ATOM 452 C2' DT C 15 -1.274 -7.818 0.049 1.00 0.00 C ATOM 453 C1' DT C 15 -1.327 -7.361 -1.392 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 -4.829 -2.786 -0.904 1.00 0.00 H new ATOM 0 H6 DT C 15 -3.590 -6.183 -0.622 1.00 0.00 H new ATOM 475 P DT C 16 -0.976 -9.978 2.423 1.00 0.00 P ATOM 476 OP1 DT C 16 -0.538 -11.326 2.846 1.00 0.00 O ATOM 477 OP2 DT C 16 -2.050 -9.296 3.179 1.00 0.00 O ATOM 478 O5' DT C 16 0.330 -9.008 2.448 1.00 0.00 O ATOM 479 C5' DT C 16 1.582 -9.385 1.889 1.00 0.00 C ATOM 480 C4' DT C 16 2.586 -8.220 1.962 1.00 0.00 C ATOM 481 O4' DT C 16 2.032 -7.077 1.338 1.00 0.00 O ATOM 482 C3' DT C 16 2.963 -7.824 3.398 1.00 0.00 C ATOM 483 O3' DT C 16 4.298 -8.217 3.691 1.00 0.00 O ATOM 484 C2' DT C 16 2.805 -6.302 3.412 1.00 0.00 C ATOM 485 C1' DT C 16 2.511 -5.904 1.970 1.00 0.00 C ATOM 486 N1 DT C 16 1.435 -4.881 1.904 1.00 0.00 N ATOM 487 C2 DT C 16 1.696 -3.629 1.369 1.00 0.00 C ATOM 488 O2 DT C 16 2.815 -3.287 0.997 1.00 0.00 O ATOM 489 N3 DT C 16 0.619 -2.748 1.332 1.00 0.00 N ATOM 490 C4 DT C 16 -0.683 -3.017 1.767 1.00 0.00 C ATOM 491 O4 DT C 16 -1.552 -2.151 1.684 1.00 0.00 O ATOM 492 C5 DT C 16 -0.863 -4.353 2.325 1.00 0.00 C ATOM 493 C7 DT C 16 -2.222 -4.830 2.841 1.00 0.00 C ATOM 494 C6 DT C 16 0.188 -5.206 2.362 1.00 0.00 C ATOM 0 H5' DT C 16 1.445 -9.689 0.851 1.00 0.00 H new ATOM 0 H5'' DT C 16 1.979 -10.248 2.424 1.00 0.00 H new ATOM 0 H4' DT C 16 3.487 -8.569 1.458 1.00 0.00 H new ATOM 0 H3' DT C 16 2.343 -8.308 4.153 1.00 0.00 H new ATOM 0 H2' DT C 16 1.995 -5.999 4.075 1.00 0.00 H new ATOM 0 H2'' DT C 16 3.712 -5.818 3.775 1.00 0.00 H new ATOM 0 H1' DT C 16 3.405 -5.492 1.502 1.00 0.00 H new ATOM 0 H3 DT C 16 0.796 -1.818 0.952 1.00 0.00 H new ATOM 0 H71 DT C 16 -2.302 -5.909 2.711 1.00 0.00 H new ATOM 0 H72 DT C 16 -2.316 -4.584 3.899 1.00 0.00 H new ATOM 0 H73 DT C 16 -3.017 -4.337 2.281 1.00 0.00 H new ATOM 0 H6 DT C 16 0.034 -6.192 2.774 1.00 0.00 H new ATOM 507 P DC C 17 4.963 -8.038 5.163 1.00 0.00 P ATOM 508 OP1 DC C 17 6.200 -8.850 5.202 1.00 0.00 O ATOM 509 OP2 DC C 17 3.909 -8.267 6.177 1.00 0.00 O ATOM 510 O5' DC C 17 5.392 -6.477 5.240 1.00 0.00 O ATOM 511 C5' DC C 17 6.478 -5.962 4.492 1.00 0.00 C ATOM 512 C4' DC C 17 6.511 -4.429 4.554 1.00 0.00 C ATOM 513 O4' DC C 17 5.396 -3.851 3.894 1.00 0.00 O ATOM 514 C3' DC C 17 6.556 -3.861 5.980 1.00 0.00 C ATOM 515 O3' DC C 17 7.899 -3.551 6.318 1.00 0.00 O ATOM 516 C2' DC C 17 5.656 -2.647 5.850 1.00 0.00 C ATOM 517 C1' DC C 17 5.209 -2.540 4.400 1.00 0.00 C ATOM 518 N1 DC C 17 3.764 -2.183 4.436 1.00 0.00 N ATOM 519 C2 DC C 17 3.299 -0.926 4.062 1.00 0.00 C ATOM 520 O2 DC C 17 4.080 -0.036 3.743 1.00 0.00 O ATOM 521 N3 DC C 17 1.952 -0.693 4.132 1.00 0.00 N ATOM 522 C4 DC C 17 1.081 -1.631 4.551 1.00 0.00 C ATOM 523 N4 DC C 17 -0.225 -1.325 4.593 1.00 0.00 N ATOM 524 C5 DC C 17 1.564 -2.928 4.951 1.00 0.00 C ATOM 525 C6 DC C 17 2.881 -3.124 4.866 1.00 0.00 C ATOM 0 H5' DC C 17 6.396 -6.286 3.454 1.00 0.00 H new ATOM 0 H5'' DC C 17 7.414 -6.365 4.878 1.00 0.00 H new ATOM 0 H4' DC C 17 7.440 -4.164 4.049 1.00 0.00 H new ATOM 0 H3' DC C 17 6.224 -4.527 6.776 1.00 0.00 H new ATOM 0 H2' DC C 17 4.792 -2.742 6.508 1.00 0.00 H new ATOM 0 H2'' DC C 17 6.189 -1.745 6.151 1.00 0.00 H new ATOM 0 H1' DC C 17 5.740 -1.804 3.796 1.00 0.00 H new ATOM 0 H41 DC C 17 -0.902 -2.020 4.907 1.00 0.00 H new ATOM 0 H42 DC C 17 -0.541 -0.397 4.311 1.00 0.00 H new ATOM 0 H5 DC C 17 0.896 -3.701 5.301 1.00 0.00 H new ATOM 0 H6 DC C 17 3.270 -4.089 5.156 1.00 0.00 H new ATOM 537 P DT C 18 8.353 -3.108 7.807 1.00 0.00 P ATOM 538 OP1 DT C 18 9.830 -3.164 7.868 1.00 0.00 O ATOM 539 OP2 DT C 18 7.553 -3.875 8.789 1.00 0.00 O ATOM 540 O5' DT C 18 7.910 -1.561 7.907 1.00 0.00 O ATOM 541 C5' DT C 18 8.542 -0.551 7.143 1.00 0.00 C ATOM 542 C4' DT C 18 7.860 0.796 7.400 1.00 0.00 C ATOM 543 O4' DT C 18 6.506 0.727 6.971 1.00 0.00 O ATOM 544 C3' DT C 18 7.855 1.158 8.892 1.00 0.00 C ATOM 545 O3' DT C 18 8.096 2.540 9.058 1.00 0.00 O ATOM 546 C2' DT C 18 6.428 0.826 9.311 1.00 0.00 C ATOM 547 C1' DT C 18 5.686 1.189 8.025 1.00 0.00 C ATOM 548 N1 DT C 18 4.292 0.658 7.922 1.00 0.00 N ATOM 549 C2 DT C 18 3.312 1.534 7.443 1.00 0.00 C ATOM 550 O2 DT C 18 3.553 2.687 7.092 1.00 0.00 O ATOM 551 N3 DT C 18 2.019 1.036 7.362 1.00 0.00 N ATOM 552 C4 DT C 18 1.613 -0.243 7.719 1.00 0.00 C ATOM 553 O4 DT C 18 0.435 -0.572 7.610 1.00 0.00 O ATOM 554 C5 DT C 18 2.684 -1.098 8.202 1.00 0.00 C ATOM 555 C7 DT C 18 2.338 -2.515 8.630 1.00 0.00 C ATOM 556 C6 DT C 18 3.961 -0.634 8.290 1.00 0.00 C ATOM 0 H5' DT C 18 8.491 -0.799 6.083 1.00 0.00 H new ATOM 0 H5'' DT C 18 9.598 -0.490 7.406 1.00 0.00 H new ATOM 0 H4' DT C 18 8.418 1.554 6.850 1.00 0.00 H new ATOM 0 H3' DT C 18 8.616 0.634 9.470 1.00 0.00 H new ATOM 0 H2' DT C 18 6.306 -0.223 9.581 1.00 0.00 H new ATOM 0 H2'' DT C 18 6.096 1.416 10.165 1.00 0.00 H new ATOM 0 HO3' DT C 18 8.089 2.761 10.013 1.00 0.00 H new ATOM 0 H1' DT C 18 5.529 2.267 7.994 1.00 0.00 H new ATOM 0 H3 DT C 18 1.301 1.668 7.008 1.00 0.00 H new ATOM 0 H71 DT C 18 3.193 -3.167 8.454 1.00 0.00 H new ATOM 0 H72 DT C 18 2.087 -2.524 9.691 1.00 0.00 H new ATOM 0 H73 DT C 18 1.485 -2.872 8.052 1.00 0.00 H new ATOM 0 H6 DT C 18 4.736 -1.291 8.657 1.00 0.00 H new TER 570 DT C 18