USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 0 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 2 DT C7 :methyl -30:sc= 0 (180deg=-0.685) USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.0013 (180deg=-0.0013) USER MOD Single : A 7 DT C7 :methyl 150:sc=-0.00594 (180deg=-0.00594) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 180:sc= 0 USER MOD Single : B 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 12 DT C7 :methyl 150:sc= -0.507 (180deg=-0.507) USER MOD Single : B 14 DT C7 :methyl 150:sc= -0.002 (180deg=-0.002) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 4.153 -9.931 -1.926 1.00 0.00 O ATOM 2 C5' DG A 1 3.271 -8.847 -2.126 1.00 0.00 C ATOM 3 C4' DG A 1 3.969 -7.521 -1.808 1.00 0.00 C ATOM 4 O4' DG A 1 3.081 -6.446 -2.080 1.00 0.00 O ATOM 5 C3' DG A 1 4.382 -7.423 -0.329 1.00 0.00 C ATOM 6 O3' DG A 1 5.742 -7.037 -0.255 1.00 0.00 O ATOM 7 C2' DG A 1 3.441 -6.336 0.183 1.00 0.00 C ATOM 8 C1' DG A 1 3.238 -5.482 -1.057 1.00 0.00 C ATOM 9 N9 DG A 1 2.040 -4.634 -0.920 1.00 0.00 N ATOM 10 C8 DG A 1 0.733 -5.010 -1.052 1.00 0.00 C ATOM 11 N7 DG A 1 -0.128 -4.065 -0.793 1.00 0.00 N ATOM 12 C5 DG A 1 0.673 -2.966 -0.492 1.00 0.00 C ATOM 13 C6 DG A 1 0.319 -1.626 -0.148 1.00 0.00 C ATOM 14 O6 DG A 1 -0.806 -1.163 0.021 1.00 0.00 O ATOM 15 N1 DG A 1 1.420 -0.792 -0.014 1.00 0.00 N ATOM 16 C2 DG A 1 2.723 -1.212 -0.148 1.00 0.00 C ATOM 17 N2 DG A 1 3.699 -0.330 0.032 1.00 0.00 N ATOM 18 N3 DG A 1 3.065 -2.475 -0.419 1.00 0.00 N ATOM 19 C4 DG A 1 2.001 -3.299 -0.594 1.00 0.00 C ATOM 0 H5' DG A 1 2.393 -8.964 -1.491 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.920 -8.842 -3.158 1.00 0.00 H new ATOM 0 H4' DG A 1 4.864 -7.471 -2.428 1.00 0.00 H new ATOM 0 H3' DG A 1 4.306 -8.346 0.246 1.00 0.00 H new ATOM 0 H2' DG A 1 2.502 -6.750 0.551 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.882 -5.768 1.002 1.00 0.00 H new ATOM 0 HO5' DG A 1 3.691 -10.771 -2.132 1.00 0.00 H new ATOM 0 H1' DG A 1 4.057 -4.789 -1.250 1.00 0.00 H new ATOM 0 H8 DG A 1 0.438 -6.006 -1.346 1.00 0.00 H new ATOM 0 H1 DG A 1 1.253 0.192 0.197 1.00 0.00 H new ATOM 0 H21 DG A 1 4.672 -0.620 -0.063 1.00 0.00 H new ATOM 0 H22 DG A 1 3.475 0.638 0.265 1.00 0.00 H new ATOM 20 P DT A 2 6.513 -6.867 1.153 1.00 0.00 P ATOM 21 OP1 DT A 2 7.900 -7.351 0.982 1.00 0.00 O ATOM 22 OP2 DT A 2 5.663 -7.433 2.225 1.00 0.00 O ATOM 23 O5' DT A 2 6.552 -5.274 1.352 1.00 0.00 O ATOM 24 C5' DT A 2 7.284 -4.446 0.466 1.00 0.00 C ATOM 25 C4' DT A 2 7.294 -3.005 0.988 1.00 0.00 C ATOM 26 O4' DT A 2 5.967 -2.516 1.066 1.00 0.00 O ATOM 27 C3' DT A 2 7.942 -2.906 2.376 1.00 0.00 C ATOM 28 O3' DT A 2 8.850 -1.820 2.366 1.00 0.00 O ATOM 29 C2' DT A 2 6.738 -2.645 3.272 1.00 0.00 C ATOM 30 C1' DT A 2 5.791 -1.922 2.331 1.00 0.00 C ATOM 31 N1 DT A 2 4.372 -2.007 2.745 1.00 0.00 N ATOM 32 C2 DT A 2 3.663 -0.840 3.024 1.00 0.00 C ATOM 33 O2 DT A 2 4.169 0.278 3.055 1.00 0.00 O ATOM 34 N3 DT A 2 2.309 -0.994 3.245 1.00 0.00 N ATOM 35 C4 DT A 2 1.620 -2.184 3.264 1.00 0.00 C ATOM 36 O4 DT A 2 0.410 -2.194 3.464 1.00 0.00 O ATOM 37 C5 DT A 2 2.437 -3.353 3.023 1.00 0.00 C ATOM 38 C7 DT A 2 1.805 -4.725 3.087 1.00 0.00 C ATOM 39 C6 DT A 2 3.757 -3.230 2.759 1.00 0.00 C ATOM 0 H5' DT A 2 6.838 -4.479 -0.528 1.00 0.00 H new ATOM 0 H5'' DT A 2 8.305 -4.814 0.370 1.00 0.00 H new ATOM 0 H4' DT A 2 7.881 -2.407 0.291 1.00 0.00 H new ATOM 0 H3' DT A 2 8.512 -3.778 2.698 1.00 0.00 H new ATOM 0 H2' DT A 2 6.306 -3.570 3.653 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.998 -2.034 4.137 1.00 0.00 H new ATOM 0 H1' DT A 2 6.025 -0.857 2.330 1.00 0.00 H new ATOM 0 H3 DT A 2 1.769 -0.145 3.410 1.00 0.00 H new ATOM 0 H71 DT A 2 0.976 -4.711 3.795 1.00 0.00 H new ATOM 0 H72 DT A 2 1.434 -5.001 2.100 1.00 0.00 H new ATOM 0 H73 DT A 2 2.548 -5.453 3.412 1.00 0.00 H new ATOM 0 H6 DT A 2 4.339 -4.116 2.555 1.00 0.00 H new ATOM 40 P DA A 3 9.717 -1.404 3.659 1.00 0.00 P ATOM 41 OP1 DA A 3 11.066 -0.997 3.212 1.00 0.00 O ATOM 42 OP2 DA A 3 9.570 -2.448 4.699 1.00 0.00 O ATOM 43 O5' DA A 3 8.944 -0.092 4.170 1.00 0.00 O ATOM 44 C5' DA A 3 8.912 1.088 3.387 1.00 0.00 C ATOM 45 C4' DA A 3 8.209 2.207 4.161 1.00 0.00 C ATOM 46 O4' DA A 3 6.851 1.877 4.378 1.00 0.00 O ATOM 47 C3' DA A 3 8.880 2.430 5.519 1.00 0.00 C ATOM 48 O3' DA A 3 9.066 3.828 5.627 1.00 0.00 O ATOM 49 C2' DA A 3 7.856 1.848 6.492 1.00 0.00 C ATOM 50 C1' DA A 3 6.539 2.045 5.746 1.00 0.00 C ATOM 51 N9 DA A 3 5.436 1.130 6.075 1.00 0.00 N ATOM 52 C8 DA A 3 5.480 -0.221 5.968 1.00 0.00 C ATOM 53 N7 DA A 3 4.331 -0.831 6.080 1.00 0.00 N ATOM 54 C5 DA A 3 3.444 0.232 6.244 1.00 0.00 C ATOM 55 C6 DA A 3 2.044 0.299 6.356 1.00 0.00 C ATOM 56 N6 DA A 3 1.289 -0.792 6.291 1.00 0.00 N ATOM 57 N1 DA A 3 1.447 1.496 6.475 1.00 0.00 N ATOM 58 C2 DA A 3 2.213 2.583 6.471 1.00 0.00 C ATOM 59 N3 DA A 3 3.534 2.662 6.347 1.00 0.00 N ATOM 60 C4 DA A 3 4.102 1.433 6.232 1.00 0.00 C ATOM 0 H5' DA A 3 8.390 0.899 2.449 1.00 0.00 H new ATOM 0 H5'' DA A 3 9.927 1.393 3.131 1.00 0.00 H new ATOM 0 H4' DA A 3 8.279 3.117 3.566 1.00 0.00 H new ATOM 0 H3' DA A 3 9.853 1.970 5.692 1.00 0.00 H new ATOM 0 H2' DA A 3 8.049 0.796 6.703 1.00 0.00 H new ATOM 0 H2'' DA A 3 7.862 2.371 7.448 1.00 0.00 H new ATOM 0 H1' DA A 3 6.163 3.027 6.034 1.00 0.00 H new ATOM 0 H8 DA A 3 6.403 -0.756 5.801 1.00 0.00 H new ATOM 0 H61 DA A 3 0.275 -0.716 6.375 1.00 0.00 H new ATOM 0 H62 DA A 3 1.723 -1.705 6.157 1.00 0.00 H new ATOM 0 H2 DA A 3 1.694 3.524 6.583 1.00 0.00 H new ATOM 61 P DT A 4 9.627 4.550 6.943 1.00 0.00 P ATOM 62 OP1 DT A 4 10.384 5.752 6.532 1.00 0.00 O ATOM 63 OP2 DT A 4 10.261 3.544 7.823 1.00 0.00 O ATOM 64 O5' DT A 4 8.248 5.014 7.614 1.00 0.00 O ATOM 65 C5' DT A 4 7.406 5.944 6.952 1.00 0.00 C ATOM 66 C4' DT A 4 6.157 6.209 7.792 1.00 0.00 C ATOM 67 O4' DT A 4 5.366 5.036 7.873 1.00 0.00 O ATOM 68 C3' DT A 4 6.559 6.631 9.212 1.00 0.00 C ATOM 69 O3' DT A 4 5.935 7.890 9.405 1.00 0.00 O ATOM 70 C2' DT A 4 5.997 5.497 10.068 1.00 0.00 C ATOM 71 C1' DT A 4 4.904 4.877 9.198 1.00 0.00 C ATOM 72 N1 DT A 4 4.503 3.464 9.450 1.00 0.00 N ATOM 73 C2 DT A 4 3.144 3.147 9.467 1.00 0.00 C ATOM 74 O2 DT A 4 2.242 3.977 9.464 1.00 0.00 O ATOM 75 N3 DT A 4 2.821 1.804 9.477 1.00 0.00 N ATOM 76 C4 DT A 4 3.710 0.758 9.483 1.00 0.00 C ATOM 77 O4 DT A 4 3.299 -0.395 9.400 1.00 0.00 O ATOM 78 C5 DT A 4 5.101 1.157 9.534 1.00 0.00 C ATOM 79 C7 DT A 4 6.159 0.079 9.660 1.00 0.00 C ATOM 80 C6 DT A 4 5.442 2.470 9.489 1.00 0.00 C ATOM 0 H5' DT A 4 7.121 5.557 5.974 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.944 6.877 6.781 1.00 0.00 H new ATOM 0 H4' DT A 4 5.585 7.006 7.317 1.00 0.00 H new ATOM 0 H3' DT A 4 7.618 6.759 9.438 1.00 0.00 H new ATOM 0 H2' DT A 4 6.768 4.768 10.319 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.593 5.871 11.009 1.00 0.00 H new ATOM 0 H1' DT A 4 3.975 5.394 9.438 1.00 0.00 H new ATOM 0 H3 DT A 4 1.829 1.567 9.480 1.00 0.00 H new ATOM 0 H71 DT A 4 7.076 0.411 9.174 1.00 0.00 H new ATOM 0 H72 DT A 4 6.357 -0.115 10.714 1.00 0.00 H new ATOM 0 H73 DT A 4 5.806 -0.835 9.183 1.00 0.00 H new ATOM 0 H6 DT A 4 6.488 2.739 9.484 1.00 0.00 H new ATOM 81 P DA A 5 5.762 8.600 10.833 1.00 0.00 P ATOM 82 OP1 DA A 5 5.601 10.054 10.612 1.00 0.00 O ATOM 83 OP2 DA A 5 6.812 8.108 11.753 1.00 0.00 O ATOM 84 O5' DA A 5 4.343 7.993 11.284 1.00 0.00 O ATOM 85 C5' DA A 5 3.177 8.265 10.525 1.00 0.00 C ATOM 86 C4' DA A 5 1.910 7.789 11.241 1.00 0.00 C ATOM 87 O4' DA A 5 1.861 6.373 11.313 1.00 0.00 O ATOM 88 C3' DA A 5 1.913 8.347 12.662 1.00 0.00 C ATOM 89 O3' DA A 5 0.619 8.871 12.890 1.00 0.00 O ATOM 90 C2' DA A 5 2.235 7.099 13.485 1.00 0.00 C ATOM 91 C1' DA A 5 1.646 5.962 12.651 1.00 0.00 C ATOM 92 N9 DA A 5 2.196 4.596 12.824 1.00 0.00 N ATOM 93 C8 DA A 5 3.501 4.218 12.954 1.00 0.00 C ATOM 94 N7 DA A 5 3.741 2.949 12.767 1.00 0.00 N ATOM 95 C5 DA A 5 2.465 2.427 12.601 1.00 0.00 C ATOM 96 C6 DA A 5 1.983 1.116 12.446 1.00 0.00 C ATOM 97 N6 DA A 5 2.783 0.056 12.336 1.00 0.00 N ATOM 98 N1 DA A 5 0.665 0.903 12.520 1.00 0.00 N ATOM 99 C2 DA A 5 -0.150 1.939 12.676 1.00 0.00 C ATOM 100 N3 DA A 5 0.168 3.223 12.749 1.00 0.00 N ATOM 101 C4 DA A 5 1.512 3.408 12.706 1.00 0.00 C ATOM 0 H5' DA A 5 3.252 7.775 9.554 1.00 0.00 H new ATOM 0 H5'' DA A 5 3.107 9.336 10.336 1.00 0.00 H new ATOM 0 H4' DA A 5 1.043 8.140 10.681 1.00 0.00 H new ATOM 0 H3' DA A 5 2.613 9.151 12.891 1.00 0.00 H new ATOM 0 H2' DA A 5 3.309 6.978 13.628 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.785 7.145 14.477 1.00 0.00 H new ATOM 0 H1' DA A 5 0.612 5.833 12.972 1.00 0.00 H new ATOM 0 H8 DA A 5 4.283 4.922 13.196 1.00 0.00 H new ATOM 0 H61 DA A 5 2.383 -0.876 12.225 1.00 0.00 H new ATOM 0 H62 DA A 5 3.796 0.176 12.363 1.00 0.00 H new ATOM 0 H2 DA A 5 -1.202 1.707 12.753 1.00 0.00 H new ATOM 102 P DA A 6 0.148 9.418 14.320 1.00 0.00 P ATOM 103 OP1 DA A 6 -0.964 10.371 14.117 1.00 0.00 O ATOM 104 OP2 DA A 6 1.339 9.825 15.098 1.00 0.00 O ATOM 105 O5' DA A 6 -0.442 8.067 14.960 1.00 0.00 O ATOM 106 C5' DA A 6 -1.599 7.461 14.418 1.00 0.00 C ATOM 107 C4' DA A 6 -2.013 6.229 15.229 1.00 0.00 C ATOM 108 O4' DA A 6 -1.194 5.098 14.969 1.00 0.00 O ATOM 109 C3' DA A 6 -1.996 6.505 16.737 1.00 0.00 C ATOM 110 O3' DA A 6 -3.285 6.157 17.218 1.00 0.00 O ATOM 111 C2' DA A 6 -0.864 5.592 17.216 1.00 0.00 C ATOM 112 C1' DA A 6 -0.866 4.462 16.191 1.00 0.00 C ATOM 113 N9 DA A 6 0.349 3.623 16.059 1.00 0.00 N ATOM 114 C8 DA A 6 1.645 4.022 15.879 1.00 0.00 C ATOM 115 N7 DA A 6 2.510 3.057 15.758 1.00 0.00 N ATOM 116 C5 DA A 6 1.712 1.922 15.778 1.00 0.00 C ATOM 117 C6 DA A 6 1.997 0.561 15.575 1.00 0.00 C ATOM 118 N6 DA A 6 3.234 0.134 15.343 1.00 0.00 N ATOM 119 N1 DA A 6 0.987 -0.317 15.516 1.00 0.00 N ATOM 120 C2 DA A 6 -0.253 0.130 15.683 1.00 0.00 C ATOM 121 N3 DA A 6 -0.652 1.379 15.902 1.00 0.00 N ATOM 122 C4 DA A 6 0.389 2.250 15.922 1.00 0.00 C ATOM 0 H5' DA A 6 -1.411 7.172 13.384 1.00 0.00 H new ATOM 0 H5'' DA A 6 -2.417 8.181 14.404 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.030 6.006 14.907 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.816 7.527 17.069 1.00 0.00 H new ATOM 0 H2' DA A 6 0.092 6.114 17.237 1.00 0.00 H new ATOM 0 H2'' DA A 6 -1.046 5.221 18.224 1.00 0.00 H new ATOM 0 H1' DA A 6 -1.578 3.709 16.529 1.00 0.00 H new ATOM 0 H8 DA A 6 1.930 5.063 15.840 1.00 0.00 H new ATOM 0 H61 DA A 6 3.412 -0.860 15.199 1.00 0.00 H new ATOM 0 H62 DA A 6 4.005 0.800 15.309 1.00 0.00 H new ATOM 0 H2 DA A 6 -1.034 -0.614 15.635 1.00 0.00 H new ATOM 123 P DT A 7 -3.689 6.155 18.774 1.00 0.00 P ATOM 124 OP1 DT A 7 -5.131 6.477 18.882 1.00 0.00 O ATOM 125 OP2 DT A 7 -2.703 6.948 19.540 1.00 0.00 O ATOM 126 O5' DT A 7 -3.491 4.600 19.121 1.00 0.00 O ATOM 127 C5' DT A 7 -4.317 3.632 18.502 1.00 0.00 C ATOM 128 C4' DT A 7 -3.898 2.208 18.867 1.00 0.00 C ATOM 129 O4' DT A 7 -2.604 1.914 18.368 1.00 0.00 O ATOM 130 C3' DT A 7 -3.924 1.964 20.381 1.00 0.00 C ATOM 131 O3' DT A 7 -4.866 0.919 20.579 1.00 0.00 O ATOM 132 C2' DT A 7 -2.479 1.554 20.663 1.00 0.00 C ATOM 133 C1' DT A 7 -1.943 1.102 19.312 1.00 0.00 C ATOM 134 N1 DT A 7 -0.467 1.127 19.174 1.00 0.00 N ATOM 135 C2 DT A 7 0.211 -0.048 18.869 1.00 0.00 C ATOM 136 O2 DT A 7 -0.340 -1.133 18.709 1.00 0.00 O ATOM 137 N3 DT A 7 1.576 0.060 18.716 1.00 0.00 N ATOM 138 C4 DT A 7 2.337 1.193 18.870 1.00 0.00 C ATOM 139 O4 DT A 7 3.556 1.129 18.702 1.00 0.00 O ATOM 140 C5 DT A 7 1.554 2.388 19.141 1.00 0.00 C ATOM 141 C7 DT A 7 2.223 3.739 19.245 1.00 0.00 C ATOM 142 C6 DT A 7 0.204 2.312 19.263 1.00 0.00 C ATOM 0 H5' DT A 7 -4.274 3.757 17.420 1.00 0.00 H new ATOM 0 H5'' DT A 7 -5.353 3.794 18.801 1.00 0.00 H new ATOM 0 H4' DT A 7 -4.627 1.545 18.402 1.00 0.00 H new ATOM 0 H3' DT A 7 -4.217 2.790 21.029 1.00 0.00 H new ATOM 0 H2' DT A 7 -1.900 2.387 21.062 1.00 0.00 H new ATOM 0 H2'' DT A 7 -2.430 0.751 21.399 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.151 0.042 19.163 1.00 0.00 H new ATOM 0 H3 DT A 7 2.075 -0.793 18.461 1.00 0.00 H new ATOM 0 H71 DT A 7 1.529 4.515 18.922 1.00 0.00 H new ATOM 0 H72 DT A 7 2.516 3.922 20.279 1.00 0.00 H new ATOM 0 H73 DT A 7 3.108 3.757 18.609 1.00 0.00 H new ATOM 0 H6 DT A 7 -0.357 3.219 19.436 1.00 0.00 H new ATOM 143 P DG A 8 -5.169 0.232 22.005 1.00 0.00 P ATOM 144 OP1 DG A 8 -6.628 0.022 22.112 1.00 0.00 O ATOM 145 OP2 DG A 8 -4.456 0.984 23.062 1.00 0.00 O ATOM 146 O5' DG A 8 -4.462 -1.208 21.830 1.00 0.00 O ATOM 147 C5' DG A 8 -4.952 -2.161 20.898 1.00 0.00 C ATOM 148 C4' DG A 8 -4.074 -3.422 20.900 1.00 0.00 C ATOM 149 O4' DG A 8 -2.770 -3.040 20.491 1.00 0.00 O ATOM 150 C3' DG A 8 -3.954 -4.048 22.296 1.00 0.00 C ATOM 151 O3' DG A 8 -3.982 -5.458 22.210 1.00 0.00 O ATOM 152 C2' DG A 8 -2.570 -3.588 22.720 1.00 0.00 C ATOM 153 C1' DG A 8 -1.838 -3.606 21.385 1.00 0.00 C ATOM 154 N9 DG A 8 -0.619 -2.786 21.445 1.00 0.00 N ATOM 155 C8 DG A 8 -0.556 -1.484 21.833 1.00 0.00 C ATOM 156 N7 DG A 8 0.626 -0.945 21.771 1.00 0.00 N ATOM 157 C5 DG A 8 1.420 -1.994 21.314 1.00 0.00 C ATOM 158 C6 DG A 8 2.815 -2.025 21.036 1.00 0.00 C ATOM 159 O6 DG A 8 3.604 -1.085 21.046 1.00 0.00 O ATOM 160 N1 DG A 8 3.272 -3.299 20.734 1.00 0.00 N ATOM 161 C2 DG A 8 2.466 -4.409 20.639 1.00 0.00 C ATOM 162 N2 DG A 8 3.038 -5.576 20.358 1.00 0.00 N ATOM 163 N3 DG A 8 1.141 -4.376 20.822 1.00 0.00 N ATOM 164 C4 DG A 8 0.679 -3.139 21.157 1.00 0.00 C ATOM 0 H5' DG A 8 -4.969 -1.725 19.899 1.00 0.00 H new ATOM 0 H5'' DG A 8 -5.979 -2.426 21.147 1.00 0.00 H new ATOM 0 H4' DG A 8 -4.531 -4.154 20.234 1.00 0.00 H new ATOM 0 H3' DG A 8 -4.756 -3.765 22.978 1.00 0.00 H new ATOM 0 H2' DG A 8 -2.585 -2.595 23.169 1.00 0.00 H new ATOM 0 H2'' DG A 8 -2.117 -4.260 23.448 1.00 0.00 H new ATOM 0 HO3' DG A 8 -3.903 -5.842 23.108 1.00 0.00 H new ATOM 0 H1' DG A 8 -1.516 -4.606 21.093 1.00 0.00 H new ATOM 0 H8 DG A 8 -1.425 -0.937 22.168 1.00 0.00 H new ATOM 0 H1 DG A 8 4.272 -3.421 20.572 1.00 0.00 H new ATOM 0 H21 DG A 8 2.468 -6.418 20.281 1.00 0.00 H new ATOM 0 H22 DG A 8 4.047 -5.629 20.220 1.00 0.00 H new TER 165 DG A 8 ATOM 166 O5' DC B 9 12.210 -6.534 22.100 1.00 0.00 O ATOM 167 C5' DC B 9 11.902 -6.752 20.740 1.00 0.00 C ATOM 168 C4' DC B 9 10.413 -7.067 20.590 1.00 0.00 C ATOM 169 O4' DC B 9 9.638 -5.950 20.997 1.00 0.00 O ATOM 170 C3' DC B 9 10.036 -7.380 19.134 1.00 0.00 C ATOM 171 O3' DC B 9 9.308 -8.592 19.124 1.00 0.00 O ATOM 172 C2' DC B 9 9.176 -6.176 18.760 1.00 0.00 C ATOM 173 C1' DC B 9 8.554 -5.831 20.100 1.00 0.00 C ATOM 174 N1 DC B 9 7.976 -4.463 20.127 1.00 0.00 N ATOM 175 C2 DC B 9 6.593 -4.313 20.188 1.00 0.00 C ATOM 176 O2 DC B 9 5.835 -5.279 20.190 1.00 0.00 O ATOM 177 N3 DC B 9 6.064 -3.060 20.267 1.00 0.00 N ATOM 178 C4 DC B 9 6.863 -1.990 20.260 1.00 0.00 C ATOM 179 N4 DC B 9 6.308 -0.788 20.332 1.00 0.00 N ATOM 180 C5 DC B 9 8.287 -2.110 20.190 1.00 0.00 C ATOM 181 C6 DC B 9 8.791 -3.363 20.132 1.00 0.00 C ATOM 0 H5' DC B 9 12.499 -7.577 20.350 1.00 0.00 H new ATOM 0 H5'' DC B 9 12.157 -5.869 20.154 1.00 0.00 H new ATOM 0 H4' DC B 9 10.212 -7.939 21.212 1.00 0.00 H new ATOM 0 H3' DC B 9 10.866 -7.515 18.441 1.00 0.00 H new ATOM 0 H2' DC B 9 9.770 -5.355 18.358 1.00 0.00 H new ATOM 0 H2'' DC B 9 8.425 -6.424 18.009 1.00 0.00 H new ATOM 0 HO5' DC B 9 13.165 -6.334 22.191 1.00 0.00 H new ATOM 0 H1' DC B 9 7.714 -6.480 20.345 1.00 0.00 H new ATOM 0 H41 DC B 9 6.895 0.046 20.329 1.00 0.00 H new ATOM 0 H42 DC B 9 5.294 -0.697 20.391 1.00 0.00 H new ATOM 0 H5 DC B 9 8.928 -1.241 20.184 1.00 0.00 H new ATOM 0 H6 DC B 9 9.861 -3.499 20.089 1.00 0.00 H new ATOM 182 P DA B 10 8.750 -9.251 17.768 1.00 0.00 P ATOM 183 OP1 DA B 10 8.874 -10.720 17.891 1.00 0.00 O ATOM 184 OP2 DA B 10 9.383 -8.562 16.622 1.00 0.00 O ATOM 185 O5' DA B 10 7.190 -8.861 17.796 1.00 0.00 O ATOM 186 C5' DA B 10 6.330 -9.373 18.799 1.00 0.00 C ATOM 187 C4' DA B 10 4.863 -9.075 18.468 1.00 0.00 C ATOM 188 O4' DA B 10 4.609 -7.684 18.567 1.00 0.00 O ATOM 189 C3' DA B 10 4.506 -9.541 17.051 1.00 0.00 C ATOM 190 O3' DA B 10 3.290 -10.260 17.156 1.00 0.00 O ATOM 191 C2' DA B 10 4.396 -8.214 16.306 1.00 0.00 C ATOM 192 C1' DA B 10 3.984 -7.226 17.385 1.00 0.00 C ATOM 193 N9 DA B 10 4.425 -5.839 17.163 1.00 0.00 N ATOM 194 C8 DA B 10 5.713 -5.438 16.998 1.00 0.00 C ATOM 195 N7 DA B 10 5.911 -4.150 17.079 1.00 0.00 N ATOM 196 C5 DA B 10 4.627 -3.662 17.311 1.00 0.00 C ATOM 197 C6 DA B 10 4.117 -2.370 17.533 1.00 0.00 C ATOM 198 N6 DA B 10 4.876 -1.279 17.601 1.00 0.00 N ATOM 199 N1 DA B 10 2.795 -2.212 17.670 1.00 0.00 N ATOM 200 C2 DA B 10 2.001 -3.274 17.627 1.00 0.00 C ATOM 201 N3 DA B 10 2.357 -4.544 17.473 1.00 0.00 N ATOM 202 C4 DA B 10 3.705 -4.678 17.332 1.00 0.00 C ATOM 0 H5' DA B 10 6.586 -8.932 19.763 1.00 0.00 H new ATOM 0 H5'' DA B 10 6.474 -10.449 18.892 1.00 0.00 H new ATOM 0 H4' DA B 10 4.250 -9.619 19.186 1.00 0.00 H new ATOM 0 H3' DA B 10 5.203 -10.206 16.542 1.00 0.00 H new ATOM 0 H2' DA B 10 5.344 -7.933 15.847 1.00 0.00 H new ATOM 0 H2'' DA B 10 3.657 -8.264 15.506 1.00 0.00 H new ATOM 0 H1' DA B 10 2.895 -7.192 17.411 1.00 0.00 H new ATOM 0 H8 DA B 10 6.516 -6.136 16.813 1.00 0.00 H new ATOM 0 H61 DA B 10 4.447 -0.368 17.764 1.00 0.00 H new ATOM 0 H62 DA B 10 5.887 -1.353 17.490 1.00 0.00 H new ATOM 0 H2 DA B 10 0.943 -3.084 17.729 1.00 0.00 H new ATOM 203 P DT B 11 2.432 -10.746 15.886 1.00 0.00 P ATOM 204 OP1 DT B 11 1.773 -12.024 16.234 1.00 0.00 O ATOM 205 OP2 DT B 11 3.269 -10.654 14.670 1.00 0.00 O ATOM 206 O5' DT B 11 1.321 -9.590 15.844 1.00 0.00 O ATOM 207 C5' DT B 11 0.461 -9.390 16.953 1.00 0.00 C ATOM 208 C4' DT B 11 -0.487 -8.219 16.693 1.00 0.00 C ATOM 209 O4' DT B 11 0.262 -7.027 16.536 1.00 0.00 O ATOM 210 C3' DT B 11 -1.341 -8.442 15.437 1.00 0.00 C ATOM 211 O3' DT B 11 -2.702 -8.403 15.835 1.00 0.00 O ATOM 212 C2' DT B 11 -0.940 -7.271 14.541 1.00 0.00 C ATOM 213 C1' DT B 11 -0.327 -6.260 15.509 1.00 0.00 C ATOM 214 N1 DT B 11 0.592 -5.239 14.962 1.00 0.00 N ATOM 215 C2 DT B 11 0.307 -3.879 15.090 1.00 0.00 C ATOM 216 O2 DT B 11 -0.758 -3.430 15.496 1.00 0.00 O ATOM 217 N3 DT B 11 1.317 -3.006 14.731 1.00 0.00 N ATOM 218 C4 DT B 11 2.585 -3.356 14.329 1.00 0.00 C ATOM 219 O4 DT B 11 3.435 -2.486 14.154 1.00 0.00 O ATOM 220 C5 DT B 11 2.792 -4.787 14.210 1.00 0.00 C ATOM 221 C7 DT B 11 4.116 -5.319 13.731 1.00 0.00 C ATOM 222 C6 DT B 11 1.810 -5.654 14.543 1.00 0.00 C ATOM 0 H5' DT B 11 1.052 -9.195 17.848 1.00 0.00 H new ATOM 0 H5'' DT B 11 -0.115 -10.296 17.142 1.00 0.00 H new ATOM 0 H4' DT B 11 -1.156 -8.140 17.550 1.00 0.00 H new ATOM 0 H3' DT B 11 -1.199 -9.391 14.919 1.00 0.00 H new ATOM 0 H2' DT B 11 -0.224 -7.578 13.778 1.00 0.00 H new ATOM 0 H2'' DT B 11 -1.802 -6.853 14.020 1.00 0.00 H new ATOM 0 H1' DT B 11 -1.131 -5.611 15.856 1.00 0.00 H new ATOM 0 H3 DT B 11 1.102 -2.010 14.768 1.00 0.00 H new ATOM 0 H71 DT B 11 4.300 -6.295 14.179 1.00 0.00 H new ATOM 0 H72 DT B 11 4.098 -5.416 12.645 1.00 0.00 H new ATOM 0 H73 DT B 11 4.911 -4.632 14.021 1.00 0.00 H new ATOM 0 H6 DT B 11 2.004 -6.714 14.472 1.00 0.00 H new ATOM 223 P DT B 12 -3.925 -8.553 14.798 1.00 0.00 P ATOM 224 OP1 DT B 12 -5.097 -9.067 15.543 1.00 0.00 O ATOM 225 OP2 DT B 12 -3.449 -9.276 13.601 1.00 0.00 O ATOM 226 O5' DT B 12 -4.211 -7.022 14.401 1.00 0.00 O ATOM 227 C5' DT B 12 -4.691 -6.113 15.372 1.00 0.00 C ATOM 228 C4' DT B 12 -4.751 -4.685 14.828 1.00 0.00 C ATOM 229 O4' DT B 12 -3.453 -4.187 14.558 1.00 0.00 O ATOM 230 C3' DT B 12 -5.588 -4.541 13.548 1.00 0.00 C ATOM 231 O3' DT B 12 -6.615 -3.602 13.832 1.00 0.00 O ATOM 232 C2' DT B 12 -4.569 -4.030 12.525 1.00 0.00 C ATOM 233 C1' DT B 12 -3.532 -3.360 13.415 1.00 0.00 C ATOM 234 N1 DT B 12 -2.211 -3.098 12.815 1.00 0.00 N ATOM 235 C2 DT B 12 -1.689 -1.804 12.802 1.00 0.00 C ATOM 236 O2 DT B 12 -2.312 -0.805 13.149 1.00 0.00 O ATOM 237 N3 DT B 12 -0.393 -1.675 12.352 1.00 0.00 N ATOM 238 C4 DT B 12 0.412 -2.689 11.896 1.00 0.00 C ATOM 239 O4 DT B 12 1.568 -2.451 11.555 1.00 0.00 O ATOM 240 C5 DT B 12 -0.205 -3.999 11.942 1.00 0.00 C ATOM 241 C7 DT B 12 0.556 -5.222 11.517 1.00 0.00 C ATOM 242 C6 DT B 12 -1.460 -4.155 12.414 1.00 0.00 C ATOM 0 H5' DT B 12 -4.044 -6.142 16.249 1.00 0.00 H new ATOM 0 H5'' DT B 12 -5.684 -6.420 15.699 1.00 0.00 H new ATOM 0 H4' DT B 12 -5.236 -4.109 15.616 1.00 0.00 H new ATOM 0 H3' DT B 12 -6.076 -5.444 13.182 1.00 0.00 H new ATOM 0 H2' DT B 12 -4.139 -4.841 11.938 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.016 -3.329 11.820 1.00 0.00 H new ATOM 0 H1' DT B 12 -3.857 -2.343 13.634 1.00 0.00 H new ATOM 0 H3 DT B 12 0.006 -0.736 12.358 1.00 0.00 H new ATOM 0 H71 DT B 12 0.199 -6.086 12.078 1.00 0.00 H new ATOM 0 H72 DT B 12 0.404 -5.393 10.451 1.00 0.00 H new ATOM 0 H73 DT B 12 1.618 -5.076 11.713 1.00 0.00 H new ATOM 0 H6 DT B 12 -1.878 -5.149 12.474 1.00 0.00 H new ATOM 243 P DA B 13 -7.708 -3.137 12.748 1.00 0.00 P ATOM 244 OP1 DA B 13 -8.965 -2.831 13.468 1.00 0.00 O ATOM 245 OP2 DA B 13 -7.720 -4.111 11.634 1.00 0.00 O ATOM 246 O5' DA B 13 -7.074 -1.758 12.221 1.00 0.00 O ATOM 247 C5' DA B 13 -7.024 -0.623 13.065 1.00 0.00 C ATOM 248 C4' DA B 13 -6.471 0.591 12.314 1.00 0.00 C ATOM 249 O4' DA B 13 -5.101 0.418 12.031 1.00 0.00 O ATOM 250 C3' DA B 13 -7.225 0.850 11.006 1.00 0.00 C ATOM 251 O3' DA B 13 -7.558 2.227 11.005 1.00 0.00 O ATOM 252 C2' DA B 13 -6.183 0.479 9.951 1.00 0.00 C ATOM 253 C1' DA B 13 -4.876 0.754 10.683 1.00 0.00 C ATOM 254 N9 DA B 13 -3.697 0.042 10.186 1.00 0.00 N ATOM 255 C8 DA B 13 -3.564 -1.303 10.102 1.00 0.00 C ATOM 256 N7 DA B 13 -2.381 -1.725 9.746 1.00 0.00 N ATOM 257 C5 DA B 13 -1.662 -0.538 9.638 1.00 0.00 C ATOM 258 C6 DA B 13 -0.312 -0.258 9.377 1.00 0.00 C ATOM 259 N6 DA B 13 0.571 -1.220 9.131 1.00 0.00 N ATOM 260 N1 DA B 13 0.118 1.010 9.434 1.00 0.00 N ATOM 261 C2 DA B 13 -0.758 1.968 9.721 1.00 0.00 C ATOM 262 N3 DA B 13 -2.053 1.845 9.979 1.00 0.00 N ATOM 263 C4 DA B 13 -2.445 0.547 9.935 1.00 0.00 C ATOM 0 H5' DA B 13 -6.398 -0.836 13.931 1.00 0.00 H new ATOM 0 H5'' DA B 13 -8.023 -0.400 13.441 1.00 0.00 H new ATOM 0 H4' DA B 13 -6.608 1.454 12.966 1.00 0.00 H new ATOM 0 H3' DA B 13 -8.151 0.298 10.845 1.00 0.00 H new ATOM 0 H2' DA B 13 -6.267 -0.564 9.644 1.00 0.00 H new ATOM 0 H2'' DA B 13 -6.281 1.085 9.050 1.00 0.00 H new ATOM 0 H1' DA B 13 -4.629 1.804 10.523 1.00 0.00 H new ATOM 0 H8 DA B 13 -4.379 -1.979 10.315 1.00 0.00 H new ATOM 0 H61 DA B 13 1.545 -0.983 8.945 1.00 0.00 H new ATOM 0 H62 DA B 13 0.274 -2.196 9.128 1.00 0.00 H new ATOM 0 H2 DA B 13 -0.365 2.974 9.747 1.00 0.00 H new ATOM 264 P DT B 14 -8.325 2.947 9.793 1.00 0.00 P ATOM 265 OP1 DT B 14 -9.310 3.894 10.358 1.00 0.00 O ATOM 266 OP2 DT B 14 -8.761 1.920 8.820 1.00 0.00 O ATOM 267 O5' DT B 14 -7.127 3.790 9.133 1.00 0.00 O ATOM 268 C5' DT B 14 -6.586 4.924 9.792 1.00 0.00 C ATOM 269 C4' DT B 14 -5.483 5.552 8.935 1.00 0.00 C ATOM 270 O4' DT B 14 -4.419 4.618 8.824 1.00 0.00 O ATOM 271 C3' DT B 14 -6.037 5.858 7.536 1.00 0.00 C ATOM 272 O3' DT B 14 -5.738 7.217 7.249 1.00 0.00 O ATOM 273 C2' DT B 14 -5.247 4.888 6.664 1.00 0.00 C ATOM 274 C1' DT B 14 -3.991 4.558 7.480 1.00 0.00 C ATOM 275 N1 DT B 14 -3.310 3.275 7.166 1.00 0.00 N ATOM 276 C2 DT B 14 -1.927 3.229 6.968 1.00 0.00 C ATOM 277 O2 DT B 14 -1.194 4.209 7.031 1.00 0.00 O ATOM 278 N3 DT B 14 -1.383 1.990 6.672 1.00 0.00 N ATOM 279 C4 DT B 14 -2.091 0.815 6.555 1.00 0.00 C ATOM 280 O4 DT B 14 -1.504 -0.233 6.304 1.00 0.00 O ATOM 281 C5 DT B 14 -3.513 0.936 6.805 1.00 0.00 C ATOM 282 C7 DT B 14 -4.399 -0.280 6.656 1.00 0.00 C ATOM 283 C6 DT B 14 -4.053 2.137 7.119 1.00 0.00 C ATOM 0 H5' DT B 14 -6.183 4.633 10.762 1.00 0.00 H new ATOM 0 H5'' DT B 14 -7.372 5.655 9.980 1.00 0.00 H new ATOM 0 H4' DT B 14 -5.130 6.476 9.392 1.00 0.00 H new ATOM 0 H3' DT B 14 -7.112 5.738 7.401 1.00 0.00 H new ATOM 0 H2' DT B 14 -5.825 3.990 6.448 1.00 0.00 H new ATOM 0 H2'' DT B 14 -4.989 5.339 5.706 1.00 0.00 H new ATOM 0 H1' DT B 14 -3.207 5.274 7.233 1.00 0.00 H new ATOM 0 H3 DT B 14 -0.374 1.944 6.529 1.00 0.00 H new ATOM 0 H71 DT B 14 -5.244 -0.201 7.340 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.766 -0.339 5.631 1.00 0.00 H new ATOM 0 H73 DT B 14 -3.827 -1.178 6.889 1.00 0.00 H new ATOM 0 H6 DT B 14 -5.109 2.193 7.339 1.00 0.00 H new ATOM 284 P DA B 15 -5.941 7.888 5.794 1.00 0.00 P ATOM 285 OP1 DA B 15 -6.146 9.343 5.965 1.00 0.00 O ATOM 286 OP2 DA B 15 -6.923 7.094 5.021 1.00 0.00 O ATOM 287 O5' DA B 15 -4.488 7.673 5.131 1.00 0.00 O ATOM 288 C5' DA B 15 -3.359 8.315 5.692 1.00 0.00 C ATOM 289 C4' DA B 15 -2.050 7.913 5.002 1.00 0.00 C ATOM 290 O4' DA B 15 -1.766 6.542 5.181 1.00 0.00 O ATOM 291 C3' DA B 15 -1.972 8.257 3.509 1.00 0.00 C ATOM 292 O3' DA B 15 -0.766 8.970 3.282 1.00 0.00 O ATOM 293 C2' DA B 15 -1.937 6.869 2.884 1.00 0.00 C ATOM 294 C1' DA B 15 -1.262 6.038 3.966 1.00 0.00 C ATOM 295 N9 DA B 15 -1.525 4.607 3.826 1.00 0.00 N ATOM 296 C8 DA B 15 -2.746 4.028 3.804 1.00 0.00 C ATOM 297 N7 DA B 15 -2.748 2.736 3.625 1.00 0.00 N ATOM 298 C5 DA B 15 -1.386 2.447 3.562 1.00 0.00 C ATOM 299 C6 DA B 15 -0.666 1.251 3.410 1.00 0.00 C ATOM 300 N6 DA B 15 -1.278 0.083 3.244 1.00 0.00 N ATOM 301 N1 DA B 15 0.677 1.290 3.439 1.00 0.00 N ATOM 302 C2 DA B 15 1.277 2.466 3.597 1.00 0.00 C ATOM 303 N3 DA B 15 0.722 3.660 3.731 1.00 0.00 N ATOM 304 C4 DA B 15 -0.629 3.579 3.713 1.00 0.00 C ATOM 0 H5' DA B 15 -3.296 8.071 6.753 1.00 0.00 H new ATOM 0 H5'' DA B 15 -3.487 9.395 5.620 1.00 0.00 H new ATOM 0 H4' DA B 15 -1.295 8.522 5.500 1.00 0.00 H new ATOM 0 H3' DA B 15 -2.777 8.877 3.115 1.00 0.00 H new ATOM 0 H2' DA B 15 -2.937 6.502 2.655 1.00 0.00 H new ATOM 0 H2'' DA B 15 -1.372 6.858 1.952 1.00 0.00 H new ATOM 0 H1' DA B 15 -0.177 6.121 3.904 1.00 0.00 H new ATOM 0 H8 DA B 15 -3.657 4.596 3.926 1.00 0.00 H new ATOM 0 H61 DA B 15 -0.729 -0.770 3.136 1.00 0.00 H new ATOM 0 H62 DA B 15 -2.297 0.039 3.225 1.00 0.00 H new ATOM 0 H2 DA B 15 2.357 2.444 3.619 1.00 0.00 H new ATOM 305 P DC B 16 -0.266 9.416 1.813 1.00 0.00 P ATOM 306 OP1 DC B 16 0.384 10.738 1.938 1.00 0.00 O ATOM 307 OP2 DC B 16 -1.376 9.228 0.855 1.00 0.00 O ATOM 308 O5' DC B 16 0.871 8.324 1.481 1.00 0.00 O ATOM 309 C5' DC B 16 2.065 8.274 2.241 1.00 0.00 C ATOM 310 C4' DC B 16 2.994 7.160 1.746 1.00 0.00 C ATOM 311 O4' DC B 16 2.333 5.912 1.865 1.00 0.00 O ATOM 312 C3' DC B 16 3.406 7.325 0.277 1.00 0.00 C ATOM 313 O3' DC B 16 4.798 7.134 0.134 1.00 0.00 O ATOM 314 C2' DC B 16 2.667 6.190 -0.420 1.00 0.00 C ATOM 315 C1' DC B 16 2.587 5.151 0.701 1.00 0.00 C ATOM 316 N1 DC B 16 1.476 4.191 0.492 1.00 0.00 N ATOM 317 C2 DC B 16 1.730 2.831 0.326 1.00 0.00 C ATOM 318 O2 DC B 16 2.877 2.391 0.267 1.00 0.00 O ATOM 319 N3 DC B 16 0.678 1.967 0.224 1.00 0.00 N ATOM 320 C4 DC B 16 -0.577 2.429 0.279 1.00 0.00 C ATOM 321 N4 DC B 16 -1.577 1.557 0.254 1.00 0.00 N ATOM 322 C5 DC B 16 -0.868 3.818 0.448 1.00 0.00 C ATOM 323 C6 DC B 16 0.192 4.651 0.551 1.00 0.00 C ATOM 0 H5' DC B 16 1.824 8.109 3.291 1.00 0.00 H new ATOM 0 H5'' DC B 16 2.579 9.233 2.179 1.00 0.00 H new ATOM 0 H4' DC B 16 3.892 7.212 2.361 1.00 0.00 H new ATOM 0 H3' DC B 16 3.174 8.313 -0.121 1.00 0.00 H new ATOM 0 H2' DC B 16 1.680 6.495 -0.769 1.00 0.00 H new ATOM 0 H2'' DC B 16 3.211 5.817 -1.288 1.00 0.00 H new ATOM 0 HO3' DC B 16 5.048 7.240 -0.808 1.00 0.00 H new ATOM 0 H1' DC B 16 3.500 4.558 0.753 1.00 0.00 H new ATOM 0 H41 DC B 16 -2.542 1.886 0.295 1.00 0.00 H new ATOM 0 H42 DC B 16 -1.381 0.558 0.194 1.00 0.00 H new ATOM 0 H5 DC B 16 -1.883 4.184 0.491 1.00 0.00 H new ATOM 0 H6 DC B 16 0.018 5.709 0.684 1.00 0.00 H new TER 324 DC B 16