USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 196 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 Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -6.23! (180deg=-6.23!) USER MOD Single : A 5 DT C7 :methyl -30:sc= -4.95! (180deg=-6.73!) USER MOD Single : A 8 DT C7 :methyl -30:sc= 0 (180deg=-0.0482) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl -30:sc= -8.75! (180deg=-9.43!) USER MOD Single : A 14 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DT C7 :methyl -30:sc= -0.76 (180deg=-2.09!) USER MOD Single : A 17 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.541 -2.682 -9.436 1.00 0.42 O ATOM 2 C5' DG A 1 -0.419 -2.907 -8.402 1.00 0.34 C ATOM 3 C4' DG A 1 -1.848 -2.686 -8.902 1.00 0.26 C ATOM 4 O4' DG A 1 -2.763 -2.941 -7.830 1.00 0.25 O ATOM 5 C3' DG A 1 -2.132 -1.263 -9.370 1.00 0.24 C ATOM 6 O3' DG A 1 -3.264 -1.269 -10.264 1.00 0.24 O ATOM 7 C2' DG A 1 -2.489 -0.584 -8.063 1.00 0.20 C ATOM 8 C1' DG A 1 -3.281 -1.685 -7.364 1.00 0.19 C ATOM 9 N9 DG A 1 -3.181 -1.676 -5.895 1.00 0.17 N ATOM 10 C8 DG A 1 -4.184 -1.742 -4.975 1.00 0.18 C ATOM 11 N7 DG A 1 -3.805 -1.723 -3.738 1.00 0.18 N ATOM 12 C5 DG A 1 -2.421 -1.639 -3.834 1.00 0.18 C ATOM 13 C6 DG A 1 -1.451 -1.584 -2.808 1.00 0.19 C ATOM 14 O6 DG A 1 -1.631 -1.602 -1.599 1.00 0.22 O ATOM 15 N1 DG A 1 -0.168 -1.505 -3.321 1.00 0.20 N ATOM 16 C2 DG A 1 0.146 -1.479 -4.660 1.00 0.20 C ATOM 17 N2 DG A 1 1.438 -1.400 -4.958 1.00 0.23 N ATOM 18 N3 DG A 1 -0.764 -1.530 -5.636 1.00 0.19 N ATOM 19 C4 DG A 1 -2.026 -1.609 -5.150 1.00 0.17 C ATOM 0 H5' DG A 1 -0.218 -2.237 -7.566 1.00 0.34 H new ATOM 0 H5'' DG A 1 -0.318 -3.925 -8.026 1.00 0.34 H new ATOM 0 H4' DG A 1 -1.968 -3.360 -9.750 1.00 0.26 H new ATOM 0 H3' DG A 1 -1.315 -0.783 -9.909 1.00 0.24 H new ATOM 0 H2' DG A 1 -1.605 -0.290 -7.497 1.00 0.20 H new ATOM 0 H2'' DG A 1 -3.083 0.317 -8.216 1.00 0.20 H new ATOM 0 HO5' DG A 1 1.443 -2.830 -9.083 1.00 0.42 H new ATOM 0 H1' DG A 1 -4.332 -1.522 -7.603 1.00 0.19 H new ATOM 0 H8 DG A 1 -5.224 -1.806 -5.259 1.00 0.18 H new ATOM 0 H1 DG A 1 0.604 -1.463 -2.655 1.00 0.20 H new ATOM 0 H21 DG A 1 1.736 -1.377 -5.933 1.00 0.23 H new ATOM 0 H22 DG A 1 2.132 -1.362 -4.212 1.00 0.23 H new ATOM 31 P DG A 2 -3.833 0.092 -10.926 1.00 0.24 P ATOM 32 OP1 DG A 2 -4.858 -0.274 -11.931 1.00 0.28 O ATOM 33 OP2 DG A 2 -2.682 0.931 -11.323 1.00 0.28 O ATOM 34 O5' DG A 2 -4.573 0.804 -9.685 1.00 0.23 O ATOM 35 C5' DG A 2 -5.722 0.201 -9.078 1.00 0.20 C ATOM 36 C4' DG A 2 -6.034 0.812 -7.712 1.00 0.17 C ATOM 37 O4' DG A 2 -4.998 0.500 -6.760 1.00 0.19 O ATOM 38 C3' DG A 2 -6.173 2.345 -7.724 1.00 0.16 C ATOM 39 O3' DG A 2 -7.414 2.703 -7.102 1.00 0.30 O ATOM 40 C2' DG A 2 -5.012 2.811 -6.854 1.00 0.13 C ATOM 41 C1' DG A 2 -4.885 1.638 -5.920 1.00 0.14 C ATOM 42 N9 DG A 2 -3.629 1.588 -5.153 1.00 0.14 N ATOM 43 C8 DG A 2 -2.338 1.725 -5.574 1.00 0.14 C ATOM 44 N7 DG A 2 -1.447 1.739 -4.629 1.00 0.15 N ATOM 45 C5 DG A 2 -2.212 1.595 -3.475 1.00 0.14 C ATOM 46 C6 DG A 2 -1.809 1.542 -2.117 1.00 0.15 C ATOM 47 O6 DG A 2 -0.677 1.645 -1.657 1.00 0.18 O ATOM 48 N1 DG A 2 -2.893 1.387 -1.271 1.00 0.15 N ATOM 49 C2 DG A 2 -4.207 1.295 -1.673 1.00 0.15 C ATOM 50 N2 DG A 2 -5.114 1.134 -0.712 1.00 0.16 N ATOM 51 N3 DG A 2 -4.591 1.347 -2.946 1.00 0.15 N ATOM 52 C4 DG A 2 -3.546 1.498 -3.789 1.00 0.14 C ATOM 0 H5' DG A 2 -5.553 -0.870 -8.966 1.00 0.20 H new ATOM 0 H5'' DG A 2 -6.584 0.321 -9.734 1.00 0.20 H new ATOM 0 H4' DG A 2 -6.993 0.375 -7.435 1.00 0.17 H new ATOM 0 H3' DG A 2 -6.160 2.780 -8.724 1.00 0.16 H new ATOM 0 H2' DG A 2 -4.103 2.982 -7.431 1.00 0.13 H new ATOM 0 H2'' DG A 2 -5.234 3.739 -6.327 1.00 0.13 H new ATOM 0 H1' DG A 2 -5.653 1.701 -5.149 1.00 0.14 H new ATOM 0 H8 DG A 2 -2.076 1.815 -6.618 1.00 0.14 H new ATOM 0 H1 DG A 2 -2.704 1.337 -0.270 1.00 0.15 H new ATOM 0 H21 DG A 2 -6.103 1.060 -0.951 1.00 0.16 H new ATOM 0 H22 DG A 2 -4.820 1.085 0.264 1.00 0.16 H new ATOM 64 P DT A 3 -7.940 4.226 -7.087 1.00 0.45 P ATOM 65 OP1 DT A 3 -9.324 4.231 -6.565 1.00 0.72 O ATOM 66 OP2 DT A 3 -7.651 4.833 -8.406 1.00 0.55 O ATOM 67 O5' DT A 3 -6.992 4.935 -5.999 1.00 0.38 O ATOM 68 C5' DT A 3 -6.928 4.451 -4.655 1.00 0.41 C ATOM 69 C4' DT A 3 -6.359 5.502 -3.712 1.00 0.32 C ATOM 70 O4' DT A 3 -5.133 6.020 -4.240 1.00 0.32 O ATOM 71 C3' DT A 3 -7.295 6.688 -3.473 1.00 0.31 C ATOM 72 O3' DT A 3 -7.259 7.035 -2.084 1.00 0.32 O ATOM 73 C2' DT A 3 -6.682 7.818 -4.307 1.00 0.32 C ATOM 74 C1' DT A 3 -5.205 7.447 -4.315 1.00 0.28 C ATOM 75 N1 DT A 3 -4.482 7.847 -5.538 1.00 0.31 N ATOM 76 C2 DT A 3 -3.267 8.493 -5.386 1.00 0.40 C ATOM 77 O2 DT A 3 -2.787 8.750 -4.285 1.00 0.44 O ATOM 78 N3 DT A 3 -2.610 8.824 -6.554 1.00 0.49 N ATOM 79 C4 DT A 3 -3.051 8.572 -7.839 1.00 0.50 C ATOM 80 O4 DT A 3 -2.377 8.914 -8.807 1.00 0.62 O ATOM 81 C5 DT A 3 -4.326 7.895 -7.903 1.00 0.42 C ATOM 82 C7 DT A 3 -4.929 7.549 -9.263 1.00 0.50 C ATOM 83 C6 DT A 3 -4.990 7.560 -6.779 1.00 0.35 C ATOM 0 H5' DT A 3 -6.309 3.554 -4.619 1.00 0.41 H new ATOM 0 H5'' DT A 3 -7.925 4.164 -4.322 1.00 0.41 H new ATOM 0 H4' DT A 3 -6.211 4.991 -2.761 1.00 0.32 H new ATOM 0 H3' DT A 3 -8.331 6.484 -3.742 1.00 0.31 H new ATOM 0 H2' DT A 3 -7.098 7.853 -5.314 1.00 0.32 H new ATOM 0 H2'' DT A 3 -6.854 8.796 -3.857 1.00 0.32 H new ATOM 0 H1' DT A 3 -4.739 7.970 -3.480 1.00 0.28 H new ATOM 0 H3 DT A 3 -1.713 9.300 -6.459 1.00 0.49 H new ATOM 0 H71 DT A 3 -5.536 6.648 -9.173 1.00 0.50 H new ATOM 0 H72 DT A 3 -5.554 8.374 -9.605 1.00 0.50 H new ATOM 0 H73 DT A 3 -4.129 7.378 -9.983 1.00 0.50 H new ATOM 0 H6 DT A 3 -5.942 7.055 -6.857 1.00 0.35 H new ATOM 96 P DT A 4 -7.649 5.947 -0.959 1.00 0.32 P ATOM 97 OP1 DT A 4 -8.986 5.399 -1.286 1.00 0.43 O ATOM 98 OP2 DT A 4 -7.403 6.548 0.366 1.00 0.41 O ATOM 99 O5' DT A 4 -6.554 4.782 -1.199 1.00 0.29 O ATOM 100 C5' DT A 4 -6.086 3.975 -0.114 1.00 0.33 C ATOM 101 C4' DT A 4 -4.623 4.265 0.221 1.00 0.25 C ATOM 102 O4' DT A 4 -3.768 3.920 -0.883 1.00 0.23 O ATOM 103 C3' DT A 4 -4.359 5.741 0.541 1.00 0.21 C ATOM 104 O3' DT A 4 -3.833 5.851 1.867 1.00 0.23 O ATOM 105 C2' DT A 4 -3.278 6.147 -0.469 1.00 0.18 C ATOM 106 C1' DT A 4 -2.659 4.802 -0.805 1.00 0.18 C ATOM 107 N1 DT A 4 -1.918 4.801 -2.081 1.00 0.18 N ATOM 108 C2 DT A 4 -0.523 4.924 -2.036 1.00 0.18 C ATOM 109 O2 DT A 4 0.155 4.875 -0.985 1.00 0.21 O ATOM 110 N3 DT A 4 0.089 5.087 -3.252 1.00 0.20 N ATOM 111 C4 DT A 4 -0.512 5.134 -4.486 1.00 0.21 C ATOM 112 O4 DT A 4 0.161 5.312 -5.498 1.00 0.27 O ATOM 113 C5 DT A 4 -1.943 4.984 -4.447 1.00 0.21 C ATOM 114 C7 DT A 4 -2.734 5.029 -5.749 1.00 0.24 C ATOM 115 C6 DT A 4 -2.592 4.821 -3.278 1.00 0.19 C ATOM 0 H5' DT A 4 -6.198 2.921 -0.370 1.00 0.33 H new ATOM 0 H5'' DT A 4 -6.703 4.156 0.766 1.00 0.33 H new ATOM 0 H4' DT A 4 -4.407 3.661 1.102 1.00 0.25 H new ATOM 0 H3' DT A 4 -5.255 6.359 0.482 1.00 0.21 H new ATOM 0 H2' DT A 4 -3.700 6.636 -1.347 1.00 0.18 H new ATOM 0 H2'' DT A 4 -2.552 6.837 -0.038 1.00 0.18 H new ATOM 0 H1' DT A 4 -1.921 4.519 -0.055 1.00 0.18 H new ATOM 0 H3 DT A 4 1.104 5.184 -3.239 1.00 0.20 H new ATOM 0 H71 DT A 4 -3.626 4.410 -5.654 1.00 0.24 H new ATOM 0 H72 DT A 4 -3.027 6.057 -5.962 1.00 0.24 H new ATOM 0 H73 DT A 4 -2.116 4.652 -6.564 1.00 0.24 H new ATOM 0 H6 DT A 4 -3.666 4.703 -3.282 1.00 0.19 H new ATOM 128 P DT A 5 -4.140 7.155 2.766 1.00 0.35 P ATOM 129 OP1 DT A 5 -5.603 7.376 2.779 1.00 0.51 O ATOM 130 OP2 DT A 5 -3.232 8.239 2.335 1.00 0.53 O ATOM 131 O5' DT A 5 -3.691 6.683 4.239 1.00 0.33 O ATOM 132 C5' DT A 5 -4.087 5.401 4.740 1.00 0.31 C ATOM 133 C4' DT A 5 -2.884 4.488 4.958 1.00 0.21 C ATOM 134 O4' DT A 5 -1.978 4.614 3.848 1.00 0.20 O ATOM 135 C3' DT A 5 -2.087 4.792 6.231 1.00 0.18 C ATOM 136 O3' DT A 5 -1.798 3.552 6.891 1.00 0.18 O ATOM 137 C2' DT A 5 -0.781 5.417 5.701 1.00 0.18 C ATOM 138 C1' DT A 5 -0.652 4.741 4.363 1.00 0.17 C ATOM 139 N1 DT A 5 0.166 5.496 3.400 1.00 0.16 N ATOM 140 C2 DT A 5 1.534 5.409 3.532 1.00 0.16 C ATOM 141 O2 DT A 5 2.067 4.764 4.430 1.00 0.21 O ATOM 142 N3 DT A 5 2.275 6.097 2.601 1.00 0.17 N ATOM 143 C4 DT A 5 1.784 6.853 1.564 1.00 0.17 C ATOM 144 O4 DT A 5 2.546 7.434 0.796 1.00 0.22 O ATOM 145 C5 DT A 5 0.345 6.888 1.500 1.00 0.16 C ATOM 146 C7 DT A 5 -0.324 7.616 0.348 1.00 0.16 C ATOM 147 C6 DT A 5 -0.408 6.228 2.407 1.00 0.16 C ATOM 0 H5' DT A 5 -4.778 4.933 4.039 1.00 0.31 H new ATOM 0 H5'' DT A 5 -4.624 5.527 5.680 1.00 0.31 H new ATOM 0 H4' DT A 5 -3.295 3.483 5.053 1.00 0.21 H new ATOM 0 H3' DT A 5 -2.608 5.440 6.935 1.00 0.18 H new ATOM 0 H2' DT A 5 -0.852 6.501 5.609 1.00 0.18 H new ATOM 0 H2'' DT A 5 0.068 5.207 6.351 1.00 0.18 H new ATOM 0 H1' DT A 5 -0.149 3.784 4.501 1.00 0.17 H new ATOM 0 H3 DT A 5 3.290 6.041 2.689 1.00 0.17 H new ATOM 0 H71 DT A 5 0.313 8.437 0.017 1.00 0.16 H new ATOM 0 H72 DT A 5 -0.481 6.923 -0.478 1.00 0.16 H new ATOM 0 H73 DT A 5 -1.285 8.012 0.677 1.00 0.16 H new ATOM 0 H6 DT A 5 -1.485 6.282 2.343 1.00 0.16 H new ATOM 160 P DG A 6 -2.768 2.986 8.048 1.00 0.19 P ATOM 161 OP1 DG A 6 -2.638 3.869 9.232 1.00 0.26 O ATOM 162 OP2 DG A 6 -2.516 1.533 8.183 1.00 0.28 O ATOM 163 O5' DG A 6 -4.237 3.193 7.415 1.00 0.24 O ATOM 164 C5' DG A 6 -5.412 3.227 8.239 1.00 0.25 C ATOM 165 C4' DG A 6 -6.405 2.133 7.847 1.00 0.22 C ATOM 166 O4' DG A 6 -6.543 2.118 6.414 1.00 0.21 O ATOM 167 C3' DG A 6 -5.980 0.728 8.283 1.00 0.22 C ATOM 168 O3' DG A 6 -7.133 -0.029 8.677 1.00 0.23 O ATOM 169 C2' DG A 6 -5.389 0.131 7.006 1.00 0.20 C ATOM 170 C1' DG A 6 -6.214 0.816 5.924 1.00 0.18 C ATOM 171 N9 DG A 6 -5.514 0.965 4.633 1.00 0.16 N ATOM 172 C8 DG A 6 -6.034 0.988 3.372 1.00 0.17 C ATOM 173 N7 DG A 6 -5.157 1.073 2.411 1.00 0.17 N ATOM 174 C5 DG A 6 -3.944 1.113 3.104 1.00 0.14 C ATOM 175 C6 DG A 6 -2.616 1.202 2.620 1.00 0.13 C ATOM 176 O6 DG A 6 -2.240 1.272 1.463 1.00 0.16 O ATOM 177 N1 DG A 6 -1.693 1.211 3.651 1.00 0.13 N ATOM 178 C2 DG A 6 -1.998 1.146 4.984 1.00 0.14 C ATOM 179 N2 DG A 6 -0.975 1.158 5.839 1.00 0.15 N ATOM 180 N3 DG A 6 -3.236 1.064 5.441 1.00 0.15 N ATOM 181 C4 DG A 6 -4.157 1.050 4.456 1.00 0.14 C ATOM 0 H5' DG A 6 -5.891 4.202 8.151 1.00 0.25 H new ATOM 0 H5'' DG A 6 -5.128 3.104 9.284 1.00 0.25 H new ATOM 0 H4' DG A 6 -7.338 2.371 8.357 1.00 0.22 H new ATOM 0 H3' DG A 6 -5.288 0.729 9.125 1.00 0.22 H new ATOM 0 H2' DG A 6 -4.326 0.349 6.908 1.00 0.20 H new ATOM 0 H2'' DG A 6 -5.496 -0.953 6.975 1.00 0.20 H new ATOM 0 H1' DG A 6 -7.086 0.192 5.726 1.00 0.18 H new ATOM 0 H8 DG A 6 -7.096 0.939 3.183 1.00 0.17 H new ATOM 0 H1 DG A 6 -0.707 1.271 3.398 1.00 0.13 H new ATOM 0 H21 DG A 6 -1.149 1.112 6.843 1.00 0.15 H new ATOM 0 H22 DG A 6 -0.019 1.214 5.489 1.00 0.15 H new ATOM 193 P DG A 7 -7.100 -1.643 8.664 1.00 0.26 P ATOM 194 OP1 DG A 7 -8.165 -2.128 9.562 1.00 0.35 O ATOM 195 OP2 DG A 7 -5.702 -2.088 8.876 1.00 0.29 O ATOM 196 O5' DG A 7 -7.530 -1.980 7.150 1.00 0.29 O ATOM 197 C5' DG A 7 -8.868 -1.719 6.721 1.00 0.30 C ATOM 198 C4' DG A 7 -9.017 -1.773 5.208 1.00 0.27 C ATOM 199 O4' DG A 7 -7.831 -1.250 4.570 1.00 0.24 O ATOM 200 C3' DG A 7 -9.211 -3.192 4.690 1.00 0.27 C ATOM 201 O3' DG A 7 -10.072 -3.171 3.544 1.00 0.31 O ATOM 202 C2' DG A 7 -7.803 -3.567 4.276 1.00 0.24 C ATOM 203 C1' DG A 7 -7.328 -2.263 3.694 1.00 0.21 C ATOM 204 N9 DG A 7 -5.870 -2.167 3.628 1.00 0.20 N ATOM 205 C8 DG A 7 -4.975 -2.262 4.640 1.00 0.21 C ATOM 206 N7 DG A 7 -3.735 -2.209 4.289 1.00 0.20 N ATOM 207 C5 DG A 7 -3.806 -2.072 2.915 1.00 0.18 C ATOM 208 C6 DG A 7 -2.765 -1.972 1.977 1.00 0.19 C ATOM 209 O6 DG A 7 -1.563 -1.973 2.201 1.00 0.20 O ATOM 210 N1 DG A 7 -3.251 -1.855 0.685 1.00 0.18 N ATOM 211 C2 DG A 7 -4.587 -1.833 0.344 1.00 0.18 C ATOM 212 N2 DG A 7 -4.868 -1.744 -0.952 1.00 0.18 N ATOM 213 N3 DG A 7 -5.576 -1.924 1.233 1.00 0.19 N ATOM 214 C4 DG A 7 -5.111 -2.043 2.495 1.00 0.19 C ATOM 0 H5' DG A 7 -9.175 -0.736 7.078 1.00 0.30 H new ATOM 0 H5'' DG A 7 -9.540 -2.447 7.175 1.00 0.30 H new ATOM 0 H4' DG A 7 -9.899 -1.178 4.971 1.00 0.27 H new ATOM 0 H3' DG A 7 -9.659 -3.878 5.409 1.00 0.27 H new ATOM 0 H2' DG A 7 -7.195 -3.889 5.121 1.00 0.24 H new ATOM 0 H2'' DG A 7 -7.788 -4.376 3.546 1.00 0.24 H new ATOM 0 H1' DG A 7 -7.682 -2.163 2.668 1.00 0.21 H new ATOM 0 H8 DG A 7 -5.279 -2.374 5.670 1.00 0.21 H new ATOM 0 H1 DG A 7 -2.570 -1.779 -0.070 1.00 0.18 H new ATOM 0 H21 DG A 7 -5.839 -1.724 -1.263 1.00 0.18 H new ATOM 0 H22 DG A 7 -4.112 -1.696 -1.636 1.00 0.18 H new ATOM 226 P DT A 8 -10.552 -4.543 2.854 1.00 0.35 P ATOM 227 OP1 DT A 8 -11.555 -4.214 1.818 1.00 0.46 O ATOM 228 OP2 DT A 8 -10.884 -5.513 3.923 1.00 0.42 O ATOM 229 O5' DT A 8 -9.210 -5.042 2.122 1.00 0.28 O ATOM 230 C5' DT A 8 -8.694 -4.336 0.989 1.00 0.27 C ATOM 231 C4' DT A 8 -7.298 -4.838 0.609 1.00 0.23 C ATOM 232 O4' DT A 8 -6.363 -4.540 1.647 1.00 0.21 O ATOM 233 C3' DT A 8 -7.226 -6.350 0.385 1.00 0.21 C ATOM 234 O3' DT A 8 -7.057 -6.586 -1.017 1.00 0.23 O ATOM 235 C2' DT A 8 -5.963 -6.801 1.169 1.00 0.21 C ATOM 236 C1' DT A 8 -5.305 -5.477 1.519 1.00 0.20 C ATOM 237 N1 DT A 8 -4.511 -5.469 2.768 1.00 0.20 N ATOM 238 C2 DT A 8 -3.146 -5.299 2.629 1.00 0.19 C ATOM 239 O2 DT A 8 -2.607 -5.167 1.529 1.00 0.24 O ATOM 240 N3 DT A 8 -2.417 -5.277 3.797 1.00 0.21 N ATOM 241 C4 DT A 8 -2.919 -5.409 5.076 1.00 0.25 C ATOM 242 O4 DT A 8 -2.166 -5.396 6.044 1.00 0.30 O ATOM 243 C5 DT A 8 -4.352 -5.582 5.132 1.00 0.27 C ATOM 244 C7 DT A 8 -5.038 -5.734 6.487 1.00 0.34 C ATOM 245 C6 DT A 8 -5.093 -5.608 4.007 1.00 0.24 C ATOM 0 H5' DT A 8 -8.651 -3.270 1.211 1.00 0.27 H new ATOM 0 H5'' DT A 8 -9.370 -4.459 0.143 1.00 0.27 H new ATOM 0 H4' DT A 8 -7.061 -4.329 -0.325 1.00 0.23 H new ATOM 0 H3' DT A 8 -8.116 -6.886 0.715 1.00 0.21 H new ATOM 0 H2' DT A 8 -6.221 -7.374 2.060 1.00 0.21 H new ATOM 0 H2'' DT A 8 -5.312 -7.430 0.562 1.00 0.21 H new ATOM 0 H1' DT A 8 -4.587 -5.247 0.732 1.00 0.20 H new ATOM 0 H3 DT A 8 -1.409 -5.151 3.709 1.00 0.21 H new ATOM 0 H71 DT A 8 -4.353 -6.207 7.191 1.00 0.34 H new ATOM 0 H72 DT A 8 -5.323 -4.751 6.863 1.00 0.34 H new ATOM 0 H73 DT A 8 -5.929 -6.352 6.376 1.00 0.34 H new ATOM 0 H6 DT A 8 -6.162 -5.740 4.079 1.00 0.24 H new ATOM 258 P DT A 9 -7.126 -8.069 -1.629 1.00 0.22 P ATOM 259 OP1 DT A 9 -7.456 -7.957 -3.067 1.00 0.36 O ATOM 260 OP2 DT A 9 -7.965 -8.911 -0.745 1.00 0.35 O ATOM 261 O5' DT A 9 -5.606 -8.559 -1.502 1.00 0.27 O ATOM 262 C5' DT A 9 -4.548 -7.823 -2.123 1.00 0.19 C ATOM 263 C4' DT A 9 -3.197 -8.316 -1.649 1.00 0.19 C ATOM 264 O4' DT A 9 -3.037 -7.986 -0.274 1.00 0.21 O ATOM 265 C3' DT A 9 -3.005 -9.832 -1.789 1.00 0.23 C ATOM 266 O3' DT A 9 -1.975 -10.077 -2.761 1.00 0.29 O 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1.00 0.31 P ATOM 323 OP1 DT A 11 4.255 -4.775 -3.535 1.00 0.44 O ATOM 324 OP2 DT A 11 3.875 -7.307 -3.542 1.00 0.41 O ATOM 325 O5' DT A 11 2.934 -5.876 -1.711 1.00 0.25 O ATOM 326 C5' DT A 11 2.403 -4.668 -1.157 1.00 0.22 C ATOM 327 C4' DT A 11 2.624 -4.585 0.366 1.00 0.20 C ATOM 328 O4' DT A 11 1.814 -5.571 1.012 1.00 0.20 O ATOM 329 C3' DT A 11 4.058 -4.807 0.873 1.00 0.20 C ATOM 330 O3' DT A 11 4.232 -4.082 2.108 1.00 0.21 O ATOM 331 C2' DT A 11 4.082 -6.300 1.147 1.00 0.23 C ATOM 332 C1' DT A 11 2.659 -6.551 1.635 1.00 0.22 C ATOM 333 N1 DT A 11 2.132 -7.875 1.272 1.00 0.23 N ATOM 334 C2 DT A 11 2.242 -8.893 2.201 1.00 0.30 C ATOM 335 O2 DT A 11 2.751 -8.724 3.308 1.00 0.36 O ATOM 336 N3 DT A 11 1.739 -10.120 1.812 1.00 0.34 N ATOM 337 C4 DT A 11 1.147 -10.408 0.595 1.00 0.31 C ATOM 338 O4 DT A 11 0.735 -11.539 0.355 1.00 0.39 O ATOM 339 C5 DT A 11 1.077 -9.279 -0.308 1.00 0.24 C ATOM 340 C7 DT A 11 0.431 -9.439 -1.684 1.00 0.24 C ATOM 341 C6 DT A 11 1.559 -8.078 0.049 1.00 0.21 C ATOM 0 H5' DT A 11 1.336 -4.609 -1.372 1.00 0.22 H new ATOM 0 H5'' DT A 11 2.873 -3.811 -1.639 1.00 0.22 H new ATOM 0 H4' DT A 11 2.365 -3.554 0.606 1.00 0.20 H new ATOM 0 H3' DT A 11 4.835 -4.479 0.183 1.00 0.20 H new ATOM 0 H2' DT A 11 4.315 -6.876 0.252 1.00 0.23 H new ATOM 0 H2'' DT A 11 4.825 -6.566 1.899 1.00 0.23 H new ATOM 0 H1' DT A 11 2.674 -6.493 2.723 1.00 0.22 H new ATOM 0 H3 DT A 11 1.811 -10.884 2.484 1.00 0.34 H new ATOM 0 H71 DT A 11 0.565 -10.463 -2.032 1.00 0.24 H new ATOM 0 H72 DT A 11 -0.634 -9.216 -1.614 1.00 0.24 H new ATOM 0 H73 DT A 11 0.900 -8.752 -2.388 1.00 0.24 H new ATOM 0 H6 DT A 11 1.492 -7.254 -0.646 1.00 0.21 H new ATOM 354 P DG A 12 5.682 -3.900 2.807 1.00 0.18 P ATOM 355 OP1 DG A 12 6.263 -5.241 3.045 1.00 0.22 O ATOM 356 OP2 DG A 12 5.536 -2.949 3.933 1.00 0.21 O ATOM 357 O5' DG A 12 6.535 -3.163 1.654 1.00 0.17 O ATOM 358 C5' DG A 12 7.434 -3.885 0.804 1.00 0.21 C ATOM 359 C4' DG A 12 7.867 -3.033 -0.388 1.00 0.20 C ATOM 360 O4' DG A 12 6.786 -2.948 -1.328 1.00 0.22 O ATOM 361 C3' DG A 12 8.273 -1.610 0.002 1.00 0.20 C ATOM 362 O3' DG A 12 9.544 -1.258 -0.583 1.00 0.25 O ATOM 363 C2' DG A 12 7.162 -0.713 -0.571 1.00 0.24 C ATOM 364 C1' DG A 12 6.504 -1.579 -1.640 1.00 0.23 C ATOM 365 N9 DG A 12 5.030 -1.444 -1.709 1.00 0.21 N ATOM 366 C8 DG A 12 4.218 -1.361 -2.805 1.00 0.22 C ATOM 367 N7 DG A 12 2.947 -1.272 -2.548 1.00 0.21 N ATOM 368 C5 DG A 12 2.902 -1.299 -1.157 1.00 0.18 C ATOM 369 C6 DG A 12 1.788 -1.236 -0.277 1.00 0.17 C ATOM 370 O6 DG A 12 0.599 -1.162 -0.558 1.00 0.19 O ATOM 371 N1 DG A 12 2.181 -1.290 1.048 1.00 0.17 N ATOM 372 C2 DG A 12 3.481 -1.400 1.474 1.00 0.18 C ATOM 373 N2 DG A 12 3.672 -1.461 2.778 1.00 0.20 N ATOM 374 N3 DG A 12 4.526 -1.459 0.659 1.00 0.19 N ATOM 375 C4 DG A 12 4.170 -1.404 -0.637 1.00 0.19 C ATOM 0 H5' DG A 12 6.951 -4.795 0.448 1.00 0.21 H new ATOM 0 H5'' DG A 12 8.311 -4.191 1.374 1.00 0.21 H new ATOM 0 H4' DG A 12 8.741 -3.522 -0.819 1.00 0.20 H new ATOM 0 H3' DG A 12 8.384 -1.502 1.081 1.00 0.20 H new ATOM 0 H2' DG A 12 6.449 -0.419 0.199 1.00 0.24 H new ATOM 0 H2'' DG A 12 7.569 0.205 -0.995 1.00 0.24 H new ATOM 0 H1' DG A 12 6.907 -1.253 -2.599 1.00 0.23 H new ATOM 0 H8 DG A 12 4.605 -1.369 -3.813 1.00 0.22 H new ATOM 0 H1 DG A 12 1.452 -1.245 1.760 1.00 0.17 H new ATOM 0 H21 DG A 12 4.618 -1.543 3.152 1.00 0.20 H new ATOM 0 H22 DG A 12 2.874 -1.426 3.412 1.00 0.20 H new ATOM 387 P DG A 13 9.929 -1.563 -2.123 1.00 0.24 P ATOM 388 OP1 DG A 13 9.652 -2.990 -2.406 1.00 0.28 O ATOM 389 OP2 DG A 13 11.282 -1.015 -2.368 1.00 0.37 O ATOM 390 O5' DG A 13 8.879 -0.670 -2.952 1.00 0.29 O ATOM 391 C5' DG A 13 8.773 -0.805 -4.374 1.00 0.25 C ATOM 392 C4' DG A 13 8.202 0.460 -5.005 1.00 0.21 C ATOM 393 O4' DG A 13 6.906 0.711 -4.461 1.00 0.24 O ATOM 394 C3' DG A 13 9.063 1.701 -4.766 1.00 0.17 C ATOM 395 O3' DG A 13 9.349 2.323 -6.022 1.00 0.24 O ATOM 396 C2' DG A 13 8.184 2.640 -3.925 1.00 0.22 C ATOM 397 C1' DG A 13 6.780 2.098 -4.144 1.00 0.20 C ATOM 398 N9 DG A 13 5.906 2.187 -2.964 1.00 0.19 N ATOM 399 C8 DG A 13 6.243 2.232 -1.641 1.00 0.20 C ATOM 400 N7 DG A 13 5.242 2.204 -0.817 1.00 0.20 N ATOM 401 C5 DG A 13 4.137 2.139 -1.663 1.00 0.18 C ATOM 402 C6 DG A 13 2.753 2.082 -1.352 1.00 0.17 C ATOM 403 O6 DG A 13 2.222 2.066 -0.244 1.00 0.18 O ATOM 404 N1 DG A 13 1.977 2.029 -2.502 1.00 0.16 N ATOM 405 C2 DG A 13 2.468 2.032 -3.790 1.00 0.16 C ATOM 406 N2 DG A 13 1.571 1.986 -4.770 1.00 0.19 N ATOM 407 N3 DG A 13 3.764 2.084 -4.085 1.00 0.18 N ATOM 408 C4 DG A 13 4.538 2.134 -2.979 1.00 0.17 C ATOM 0 H5' DG A 13 8.135 -1.655 -4.615 1.00 0.25 H new ATOM 0 H5'' DG A 13 9.756 -1.014 -4.797 1.00 0.25 H new ATOM 0 H4' DG A 13 8.168 0.282 -6.080 1.00 0.21 H new ATOM 0 H3' DG A 13 10.007 1.465 -4.274 1.00 0.17 H new ATOM 0 H2' DG A 13 8.464 2.617 -2.872 1.00 0.22 H new ATOM 0 H2'' DG A 13 8.271 3.675 -4.255 1.00 0.22 H new ATOM 0 H1' DG A 13 6.326 2.700 -4.931 1.00 0.20 H new ATOM 0 H8 DG A 13 7.268 2.287 -1.306 1.00 0.20 H new ATOM 0 H1 DG A 13 0.965 1.984 -2.385 1.00 0.16 H new ATOM 0 H21 DG A 13 1.878 1.986 -5.743 1.00 0.19 H new ATOM 0 H22 DG A 13 0.576 1.951 -4.549 1.00 0.19 H new ATOM 420 P DT A 14 10.748 3.088 -6.247 1.00 0.28 P ATOM 421 OP1 DT A 14 10.780 3.578 -7.640 1.00 0.43 O ATOM 422 OP2 DT A 14 11.834 2.219 -5.744 1.00 0.35 O ATOM 423 O5' DT A 14 10.622 4.358 -5.264 1.00 0.33 O ATOM 424 C5' DT A 14 11.790 5.066 -4.824 1.00 0.31 C ATOM 425 C4' DT A 14 11.432 6.183 -3.847 1.00 0.27 C ATOM 426 O4' DT A 14 10.559 7.117 -4.488 1.00 0.30 O ATOM 427 C3' DT A 14 10.745 5.702 -2.583 1.00 0.28 C ATOM 428 O3' DT A 14 11.176 6.502 -1.480 1.00 0.32 O ATOM 429 C2' DT A 14 9.280 5.945 -2.865 1.00 0.28 C ATOM 430 C1' DT A 14 9.312 7.154 -3.796 1.00 0.29 C ATOM 431 N1 DT A 14 8.246 7.180 -4.819 1.00 0.33 N ATOM 432 C2 DT A 14 7.336 8.222 -4.770 1.00 0.36 C ATOM 433 O2 DT A 14 7.379 9.092 -3.903 1.00 0.39 O ATOM 434 N3 DT A 14 6.370 8.230 -5.755 1.00 0.42 N ATOM 435 C4 DT A 14 6.232 7.303 -6.769 1.00 0.48 C ATOM 436 O4 DT A 14 5.327 7.410 -7.592 1.00 0.56 O ATOM 437 C5 DT A 14 7.224 6.251 -6.745 1.00 0.46 C ATOM 438 C7 DT A 14 7.192 5.161 -7.814 1.00 0.58 C ATOM 439 C6 DT A 14 8.180 6.220 -5.796 1.00 0.39 C ATOM 0 H5' DT A 14 12.308 5.487 -5.686 1.00 0.31 H new ATOM 0 H5'' DT A 14 12.480 4.370 -4.346 1.00 0.31 H new ATOM 0 H4' DT A 14 12.380 6.636 -3.555 1.00 0.27 H new ATOM 0 H3' DT A 14 10.960 4.663 -2.335 1.00 0.28 H new ATOM 0 H2' DT A 14 8.810 5.082 -3.338 1.00 0.28 H new ATOM 0 H2'' DT A 14 8.721 6.152 -1.952 1.00 0.28 H new ATOM 0 H1' DT A 14 9.167 8.035 -3.171 1.00 0.29 H new ATOM 0 H3 DT A 14 5.694 8.993 -5.732 1.00 0.42 H new ATOM 0 H71 DT A 14 8.204 4.801 -7.997 1.00 0.58 H new ATOM 0 H72 DT A 14 6.569 4.335 -7.472 1.00 0.58 H new ATOM 0 H73 DT A 14 6.780 5.569 -8.737 1.00 0.58 H new ATOM 0 H6 DT A 14 8.909 5.423 -5.805 1.00 0.39 H new ATOM 452 P DT A 15 10.727 6.140 0.019 1.00 0.34 P ATOM 453 OP1 DT A 15 11.730 6.706 0.949 1.00 0.46 O ATOM 454 OP2 DT A 15 10.402 4.696 0.076 1.00 0.38 O ATOM 455 O5' DT A 15 9.358 6.977 0.182 1.00 0.29 O ATOM 456 C5' DT A 15 9.005 7.566 1.441 1.00 0.31 C ATOM 457 C4' DT A 15 8.112 6.641 2.268 1.00 0.22 C ATOM 458 O4' DT A 15 6.794 6.607 1.700 1.00 0.25 O ATOM 459 C3' DT A 15 8.612 5.197 2.335 1.00 0.17 C ATOM 460 O3' DT A 15 8.432 4.691 3.662 1.00 0.24 O ATOM 461 C2' DT A 15 7.694 4.461 1.367 1.00 0.17 C ATOM 462 C1' DT A 15 6.406 5.243 1.533 1.00 0.20 C ATOM 463 N1 DT A 15 5.471 5.185 0.388 1.00 0.19 N ATOM 464 C2 DT A 15 4.146 4.882 0.672 1.00 0.18 C ATOM 465 O2 DT A 15 3.795 4.522 1.787 1.00 0.21 O ATOM 466 N3 DT A 15 3.257 4.935 -0.392 1.00 0.19 N ATOM 467 C4 DT A 15 3.602 5.241 -1.695 1.00 0.22 C ATOM 468 O4 DT A 15 2.767 5.239 -2.569 1.00 0.28 O ATOM 469 C5 DT A 15 4.995 5.528 -1.904 1.00 0.24 C ATOM 470 C7 DT A 15 5.457 5.886 -3.312 1.00 0.29 C ATOM 471 C6 DT A 15 5.880 5.497 -0.886 1.00 0.22 C ATOM 0 H5' DT A 15 8.490 8.511 1.269 1.00 0.31 H new ATOM 0 H5'' DT A 15 9.911 7.795 2.002 1.00 0.31 H new ATOM 0 H4' DT A 15 8.120 7.051 3.278 1.00 0.22 H new ATOM 0 H3' DT A 15 9.668 5.089 2.087 1.00 0.17 H new ATOM 0 H2' DT A 15 8.066 4.492 0.343 1.00 0.17 H new ATOM 0 H2'' DT A 15 7.575 3.410 1.631 1.00 0.17 H new ATOM 0 H1' DT A 15 5.869 4.804 2.374 1.00 0.20 H new ATOM 0 H3 DT A 15 2.276 4.733 -0.198 1.00 0.19 H new ATOM 0 H71 DT A 15 4.821 5.386 -4.042 1.00 0.29 H new ATOM 0 H72 DT A 15 5.392 6.965 -3.453 1.00 0.29 H new ATOM 0 H73 DT A 15 6.489 5.564 -3.449 1.00 0.29 H new ATOM 0 H6 DT A 15 6.920 5.720 -1.074 1.00 0.22 H new ATOM 484 P DG A 16 9.195 3.355 4.130 1.00 0.18 P ATOM 485 OP1 DG A 16 10.471 3.757 4.764 1.00 0.26 O ATOM 486 OP2 DG A 16 9.204 2.402 2.998 1.00 0.28 O ATOM 487 O5' DG A 16 8.219 2.770 5.264 1.00 0.22 O ATOM 488 C5' DG A 16 8.230 3.300 6.593 1.00 0.21 C ATOM 489 C4' DG A 16 7.348 2.473 7.521 1.00 0.19 C ATOM 490 O4' DG A 16 5.965 2.727 7.230 1.00 0.20 O ATOM 491 C3' DG A 16 7.567 0.956 7.386 1.00 0.21 C ATOM 492 O3' DG A 16 7.909 0.358 8.660 1.00 0.27 O ATOM 493 C2' DG A 16 6.224 0.428 6.889 1.00 0.18 C ATOM 494 C1' DG A 16 5.264 1.496 7.367 1.00 0.18 C ATOM 495 N9 DG A 16 4.014 1.572 6.590 1.00 0.17 N ATOM 496 C8 DG A 16 2.726 1.464 7.029 1.00 0.20 C ATOM 497 N7 DG A 16 1.821 1.523 6.100 1.00 0.20 N ATOM 498 C5 DG A 16 2.570 1.688 4.938 1.00 0.17 C ATOM 499 C6 DG A 16 2.140 1.819 3.594 1.00 0.17 C ATOM 500 O6 DG A 16 1.000 1.801 3.157 1.00 0.19 O ATOM 501 N1 DG A 16 3.205 1.968 2.730 1.00 0.15 N ATOM 502 C2 DG A 16 4.529 1.988 3.103 1.00 0.15 C ATOM 503 N2 DG A 16 5.413 2.130 2.125 1.00 0.16 N ATOM 504 N3 DG A 16 4.945 1.865 4.364 1.00 0.16 N ATOM 505 C4 DG A 16 3.913 1.719 5.227 1.00 0.16 C ATOM 0 H5' DG A 16 7.881 4.332 6.579 1.00 0.21 H new ATOM 0 H5'' DG A 16 9.251 3.314 6.974 1.00 0.21 H new ATOM 0 H4' DG A 16 7.620 2.773 8.533 1.00 0.19 H new ATOM 0 H3' DG A 16 8.391 0.718 6.713 1.00 0.21 H new ATOM 0 H2' DG A 16 6.205 0.320 5.805 1.00 0.18 H new ATOM 0 H2'' DG A 16 5.989 -0.549 7.311 1.00 0.18 H new ATOM 0 H1' DG A 16 4.961 1.267 8.389 1.00 0.18 H new ATOM 0 H8 DG A 16 2.478 1.339 8.073 1.00 0.20 H new ATOM 0 H1 DG A 16 2.994 2.071 1.737 1.00 0.15 H new ATOM 0 H21 DG A 16 6.410 2.152 2.338 1.00 0.16 H new ATOM 0 H22 DG A 16 5.096 2.217 1.160 1.00 0.16 H new ATOM 517 P DG A 17 7.252 0.813 10.072 1.00 0.31 P ATOM 518 OP1 DG A 17 7.196 2.292 10.119 1.00 0.37 O ATOM 519 OP2 DG A 17 7.946 0.078 11.154 1.00 0.41 O ATOM 520 O5' DG A 17 5.743 0.252 9.972 1.00 0.33 O ATOM 521 C5' DG A 17 5.476 -1.154 10.057 1.00 0.30 C ATOM 522 C4' DG A 17 4.035 -1.433 10.482 1.00 0.25 C ATOM 523 O4' DG A 17 3.133 -0.983 9.456 1.00 0.30 O ATOM 524 C3' DG A 17 3.738 -2.913 10.715 1.00 0.26 C ATOM 525 O3' DG A 17 2.788 -3.094 11.771 1.00 0.32 O ATOM 526 C2' DG A 17 3.166 -3.339 9.376 1.00 0.27 C ATOM 527 C1' DG A 17 2.380 -2.104 8.977 1.00 0.26 C ATOM 528 N9 DG A 17 2.221 -1.955 7.525 1.00 0.23 N ATOM 529 C8 DG A 17 3.191 -1.815 6.587 1.00 0.23 C ATOM 530 N7 DG A 17 2.768 -1.708 5.370 1.00 0.22 N ATOM 531 C5 DG A 17 1.387 -1.787 5.502 1.00 0.20 C ATOM 532 C6 DG A 17 0.380 -1.734 4.506 1.00 0.19 C ATOM 533 O6 DG A 17 0.527 -1.590 3.301 1.00 0.21 O ATOM 534 N1 DG A 17 -0.892 -1.854 5.053 1.00 0.19 N ATOM 535 C2 DG A 17 -1.153 -2.001 6.402 1.00 0.19 C ATOM 536 N2 DG A 17 -2.429 -2.078 6.748 1.00 0.20 N ATOM 537 N3 DG A 17 -0.202 -2.050 7.342 1.00 0.20 N ATOM 538 C4 DG A 17 1.039 -1.937 6.820 1.00 0.20 C ATOM 0 H5' DG A 17 6.161 -1.612 10.771 1.00 0.30 H new ATOM 0 H5'' DG A 17 5.666 -1.619 9.090 1.00 0.30 H new ATOM 0 H4' DG A 17 3.899 -0.901 11.424 1.00 0.25 H new ATOM 0 H3' DG A 17 4.609 -3.492 11.022 1.00 0.26 H new ATOM 0 H2' DG A 17 3.947 -3.580 8.654 1.00 0.27 H new ATOM 0 H2'' DG A 17 2.530 -4.220 9.463 1.00 0.27 H new ATOM 0 HO3' DG A 17 2.616 -4.051 11.896 1.00 0.32 H new ATOM 0 H1' DG A 17 1.377 -2.179 9.397 1.00 0.26 H new ATOM 0 H8 DG A 17 4.241 -1.794 6.839 1.00 0.23 H new ATOM 0 H1 DG A 17 -1.687 -1.832 4.415 1.00 0.19 H new ATOM 0 H21 DG A 17 -2.686 -2.187 7.729 1.00 0.20 H new ATOM 0 H22 DG A 17 -3.155 -2.028 6.033 1.00 0.20 H new TER 550 DG A 17