USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 182 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 -28:sc= 0.00187 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.262 (180deg=-0.262) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.257 (180deg=-0.257) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.507 12.965 24.359 1.00 0.00 O ATOM 2 C5' DG A 1 5.275 11.591 24.584 1.00 0.00 C ATOM 3 C4' DG A 1 3.945 11.177 23.943 1.00 0.00 C ATOM 4 O4' DG A 1 4.023 11.357 22.534 1.00 0.00 O ATOM 5 C3' DG A 1 3.613 9.704 24.215 1.00 0.00 C ATOM 6 O3' DG A 1 2.210 9.528 24.305 1.00 0.00 O ATOM 7 C2' DG A 1 4.204 9.088 22.957 1.00 0.00 C ATOM 8 C1' DG A 1 3.782 10.112 21.912 1.00 0.00 C ATOM 9 N9 DG A 1 4.544 9.968 20.644 1.00 0.00 N ATOM 10 C8 DG A 1 5.907 9.972 20.439 1.00 0.00 C ATOM 11 N7 DG A 1 6.259 9.849 19.191 1.00 0.00 N ATOM 12 C5 DG A 1 5.053 9.769 18.507 1.00 0.00 C ATOM 13 C6 DG A 1 4.802 9.658 17.105 1.00 0.00 C ATOM 14 O6 DG A 1 5.625 9.602 16.195 1.00 0.00 O ATOM 15 N1 DG A 1 3.441 9.616 16.811 1.00 0.00 N ATOM 16 C2 DG A 1 2.435 9.689 17.758 1.00 0.00 C ATOM 17 N2 DG A 1 1.174 9.628 17.321 1.00 0.00 N ATOM 18 N3 DG A 1 2.672 9.811 19.074 1.00 0.00 N ATOM 19 C4 DG A 1 3.997 9.846 19.385 1.00 0.00 C ATOM 0 H5' DG A 1 5.252 11.387 25.655 1.00 0.00 H new ATOM 0 H5'' DG A 1 6.090 11.002 24.165 1.00 0.00 H new ATOM 0 H4' DG A 1 3.165 11.800 24.380 1.00 0.00 H new ATOM 0 H3' DG A 1 3.993 9.279 25.144 1.00 0.00 H new ATOM 0 H2' DG A 1 5.287 8.982 23.018 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.798 8.097 22.752 1.00 0.00 H new ATOM 0 HO5' DG A 1 5.062 13.240 23.530 1.00 0.00 H new ATOM 0 H1' DG A 1 2.740 9.990 21.615 1.00 0.00 H new ATOM 0 H8 DG A 1 6.621 10.069 21.243 1.00 0.00 H new ATOM 0 H1 DG A 1 3.168 9.525 15.832 1.00 0.00 H new ATOM 0 H21 DG A 1 0.401 9.678 17.985 1.00 0.00 H new ATOM 0 H22 DG A 1 0.984 9.531 16.324 1.00 0.00 H new ATOM 32 P DC A 2 1.530 8.083 24.561 1.00 0.00 P ATOM 33 OP1 DC A 2 0.498 8.242 25.609 1.00 0.00 O ATOM 34 OP2 DC A 2 2.598 7.074 24.733 1.00 0.00 O ATOM 35 O5' DC A 2 0.788 7.794 23.154 1.00 0.00 O ATOM 36 C5' DC A 2 -0.347 8.545 22.770 1.00 0.00 C ATOM 37 C4' DC A 2 -1.107 7.995 21.565 1.00 0.00 C ATOM 38 O4' DC A 2 -0.352 8.114 20.372 1.00 0.00 O ATOM 39 C3' DC A 2 -1.449 6.523 21.800 1.00 0.00 C ATOM 40 O3' DC A 2 -2.763 6.269 21.331 1.00 0.00 O ATOM 41 C2' DC A 2 -0.345 5.866 21.006 1.00 0.00 C ATOM 42 C1' DC A 2 -0.164 6.822 19.831 1.00 0.00 C ATOM 43 N1 DC A 2 1.204 6.713 19.279 1.00 0.00 N ATOM 44 C2 DC A 2 1.413 6.499 17.915 1.00 0.00 C ATOM 45 O2 DC A 2 0.478 6.462 17.119 1.00 0.00 O ATOM 46 N3 DC A 2 2.697 6.332 17.479 1.00 0.00 N ATOM 47 C4 DC A 2 3.731 6.345 18.335 1.00 0.00 C ATOM 48 N4 DC A 2 4.972 6.218 17.857 1.00 0.00 N ATOM 49 C5 DC A 2 3.522 6.587 19.734 1.00 0.00 C ATOM 50 C6 DC A 2 2.262 6.793 20.140 1.00 0.00 C ATOM 0 H5' DC A 2 -0.031 9.564 22.547 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.031 8.601 23.617 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.019 8.581 21.451 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.478 6.168 22.830 1.00 0.00 H new ATOM 0 H2' DC A 2 0.569 5.765 21.591 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.624 4.866 20.675 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.861 6.600 19.023 1.00 0.00 H new ATOM 0 H41 DC A 2 5.768 6.226 18.495 1.00 0.00 H new ATOM 0 H42 DC A 2 5.124 6.113 16.854 1.00 0.00 H new ATOM 0 H5 DC A 2 4.347 6.602 20.431 1.00 0.00 H new ATOM 0 H6 DC A 2 2.077 7.029 21.178 1.00 0.00 H new ATOM 62 P DG A 3 -3.370 4.782 21.158 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.832 4.853 21.370 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.558 3.830 21.949 1.00 0.00 O ATOM 65 O5' DG A 3 -3.095 4.519 19.588 1.00 0.00 O ATOM 66 C5' DG A 3 -3.763 5.299 18.614 1.00 0.00 C ATOM 67 C4' DG A 3 -3.556 4.804 17.192 1.00 0.00 C ATOM 68 O4' DG A 3 -2.193 4.856 16.810 1.00 0.00 O ATOM 69 C3' DG A 3 -4.082 3.372 17.103 1.00 0.00 C ATOM 70 O3' DG A 3 -5.104 3.277 16.126 1.00 0.00 O ATOM 71 C2' DG A 3 -2.803 2.619 16.788 1.00 0.00 C ATOM 72 C1' DG A 3 -1.850 3.640 16.181 1.00 0.00 C ATOM 73 N9 DG A 3 -0.431 3.347 16.481 1.00 0.00 N ATOM 74 C8 DG A 3 0.161 3.209 17.710 1.00 0.00 C ATOM 75 N7 DG A 3 1.463 3.247 17.689 1.00 0.00 N ATOM 76 C5 DG A 3 1.760 3.390 16.340 1.00 0.00 C ATOM 77 C6 DG A 3 3.020 3.545 15.693 1.00 0.00 C ATOM 78 O6 DG A 3 4.120 3.707 16.216 1.00 0.00 O ATOM 79 N1 DG A 3 2.908 3.499 14.306 1.00 0.00 N ATOM 80 C2 DG A 3 1.710 3.417 13.619 1.00 0.00 C ATOM 81 N2 DG A 3 1.764 3.394 12.283 1.00 0.00 N ATOM 82 N3 DG A 3 0.517 3.393 14.230 1.00 0.00 N ATOM 83 C4 DG A 3 0.610 3.371 15.587 1.00 0.00 C ATOM 0 H5' DG A 3 -3.416 6.330 18.685 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.830 5.306 18.836 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.100 5.453 16.506 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.575 2.976 17.991 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.378 2.178 17.690 1.00 0.00 H new ATOM 0 H2'' DG A 3 -2.993 1.802 16.092 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.944 3.647 15.095 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.405 3.079 18.620 1.00 0.00 H new ATOM 0 H1 DG A 3 3.768 3.528 13.759 1.00 0.00 H new ATOM 0 H21 DG A 3 0.903 3.334 11.739 1.00 0.00 H new ATOM 0 H22 DG A 3 2.666 3.436 11.808 1.00 0.00 H new ATOM 95 P DT A 4 -5.827 1.875 15.759 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.072 2.174 15.017 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.872 1.025 16.969 1.00 0.00 O ATOM 98 O5' DT A 4 -4.760 1.247 14.729 1.00 0.00 O ATOM 99 C5' DT A 4 -4.396 1.969 13.575 1.00 0.00 C ATOM 100 C4' DT A 4 -3.197 1.391 12.831 1.00 0.00 C ATOM 101 O4' DT A 4 -2.032 1.538 13.614 1.00 0.00 O ATOM 102 C3' DT A 4 -3.346 -0.092 12.461 1.00 0.00 C ATOM 103 O3' DT A 4 -3.380 -0.216 11.051 1.00 0.00 O ATOM 104 C2' DT A 4 -2.112 -0.704 13.122 1.00 0.00 C ATOM 105 C1' DT A 4 -1.170 0.488 13.257 1.00 0.00 C ATOM 106 N1 DT A 4 -0.162 0.243 14.312 1.00 0.00 N ATOM 107 C2 DT A 4 1.195 0.208 13.991 1.00 0.00 C ATOM 108 O2 DT A 4 1.622 0.235 12.839 1.00 0.00 O ATOM 109 N3 DT A 4 2.070 0.140 15.067 1.00 0.00 N ATOM 110 C4 DT A 4 1.710 0.055 16.406 1.00 0.00 C ATOM 111 O4 DT A 4 2.576 0.024 17.276 1.00 0.00 O ATOM 112 C5 DT A 4 0.277 0.012 16.637 1.00 0.00 C ATOM 113 C7 DT A 4 -0.274 -0.137 18.036 1.00 0.00 C ATOM 114 C6 DT A 4 -0.590 0.110 15.604 1.00 0.00 C ATOM 0 H5' DT A 4 -4.173 2.998 13.858 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.249 2.003 12.897 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.130 1.952 11.899 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.258 -0.587 12.795 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.349 -1.143 14.091 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.677 -1.495 12.511 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.602 0.694 12.350 1.00 0.00 H new ATOM 0 H3 DT A 4 3.068 0.154 14.855 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.242 0.360 18.101 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.393 -1.195 18.270 1.00 0.00 H new ATOM 0 H73 DT A 4 0.415 0.317 18.749 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.651 0.082 15.805 1.00 0.00 H new ATOM 127 P DA A 5 -3.487 -1.645 10.310 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.144 -1.441 9.001 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.030 -2.638 11.263 1.00 0.00 O ATOM 130 O5' DA A 5 -1.935 -1.987 10.052 1.00 0.00 O ATOM 131 C5' DA A 5 -1.151 -1.198 9.178 1.00 0.00 C ATOM 132 C4' DA A 5 0.259 -1.778 9.067 1.00 0.00 C ATOM 133 O4' DA A 5 0.939 -1.676 10.308 1.00 0.00 O ATOM 134 C3' DA A 5 0.248 -3.256 8.647 1.00 0.00 C ATOM 135 O3' DA A 5 1.009 -3.378 7.459 1.00 0.00 O ATOM 136 C2' DA A 5 0.841 -3.942 9.882 1.00 0.00 C ATOM 137 C1' DA A 5 1.725 -2.838 10.474 1.00 0.00 C ATOM 138 N9 DA A 5 2.006 -3.040 11.912 1.00 0.00 N ATOM 139 C8 DA A 5 1.077 -3.256 12.887 1.00 0.00 C ATOM 140 N7 DA A 5 1.518 -3.139 14.106 1.00 0.00 N ATOM 141 C5 DA A 5 2.870 -2.875 13.925 1.00 0.00 C ATOM 142 C6 DA A 5 3.924 -2.644 14.832 1.00 0.00 C ATOM 143 N6 DA A 5 3.725 -2.544 16.150 1.00 0.00 N ATOM 144 N1 DA A 5 5.170 -2.494 14.345 1.00 0.00 N ATOM 145 C2 DA A 5 5.354 -2.541 13.027 1.00 0.00 C ATOM 146 N3 DA A 5 4.441 -2.693 12.068 1.00 0.00 N ATOM 147 C4 DA A 5 3.194 -2.862 12.589 1.00 0.00 C ATOM 0 H5' DA A 5 -1.103 -0.173 9.546 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.616 -1.162 8.193 1.00 0.00 H new ATOM 0 H4' DA A 5 0.771 -1.197 8.300 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.716 -3.699 8.398 1.00 0.00 H new ATOM 0 H2' DA A 5 0.068 -4.262 10.580 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.419 -4.828 9.618 1.00 0.00 H new ATOM 0 H1' DA A 5 2.701 -2.803 9.989 1.00 0.00 H new ATOM 0 H8 DA A 5 0.050 -3.506 12.664 1.00 0.00 H new ATOM 0 H61 DA A 5 4.514 -2.376 16.774 1.00 0.00 H new ATOM 0 H62 DA A 5 2.784 -2.635 16.532 1.00 0.00 H new ATOM 0 H2 DA A 5 6.376 -2.443 12.692 1.00 0.00 H new ATOM 159 P DC A 6 1.291 -4.791 6.738 1.00 0.00 P ATOM 160 OP1 DC A 6 1.639 -4.532 5.323 1.00 0.00 O ATOM 161 OP2 DC A 6 0.197 -5.730 7.073 1.00 0.00 O ATOM 162 O5' DC A 6 2.620 -5.257 7.510 1.00 0.00 O ATOM 163 C5' DC A 6 3.791 -4.465 7.481 1.00 0.00 C ATOM 164 C4' DC A 6 4.830 -5.039 8.439 1.00 0.00 C ATOM 165 O4' DC A 6 4.345 -4.889 9.754 1.00 0.00 O ATOM 166 C3' DC A 6 5.182 -6.517 8.257 1.00 0.00 C ATOM 167 O3' DC A 6 6.388 -6.690 7.530 1.00 0.00 O ATOM 168 C2' DC A 6 5.245 -7.032 9.693 1.00 0.00 C ATOM 169 C1' DC A 6 5.065 -5.792 10.550 1.00 0.00 C ATOM 170 N1 DC A 6 4.345 -6.074 11.817 1.00 0.00 N ATOM 171 C2 DC A 6 5.016 -5.904 13.025 1.00 0.00 C ATOM 172 O2 DC A 6 6.232 -5.731 13.067 1.00 0.00 O ATOM 173 N3 DC A 6 4.294 -5.930 14.178 1.00 0.00 N ATOM 174 C4 DC A 6 2.972 -6.150 14.170 1.00 0.00 C ATOM 175 N4 DC A 6 2.317 -6.100 15.333 1.00 0.00 N ATOM 176 C5 DC A 6 2.267 -6.387 12.940 1.00 0.00 C ATOM 177 C6 DC A 6 2.998 -6.344 11.802 1.00 0.00 C ATOM 0 H5' DC A 6 3.553 -3.439 7.761 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.195 -4.434 6.469 1.00 0.00 H new ATOM 0 H4' DC A 6 5.743 -4.484 8.225 1.00 0.00 H new ATOM 0 H3' DC A 6 4.459 -7.071 7.659 1.00 0.00 H new ATOM 0 H2' DC A 6 4.462 -7.765 9.886 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.197 -7.521 9.898 1.00 0.00 H new ATOM 0 H1' DC A 6 6.032 -5.393 10.856 1.00 0.00 H new ATOM 0 H41 DC A 6 1.310 -6.263 15.359 1.00 0.00 H new ATOM 0 H42 DC A 6 2.823 -5.899 16.195 1.00 0.00 H new ATOM 0 H5 DC A 6 1.206 -6.589 12.925 1.00 0.00 H new ATOM 0 H6 DC A 6 2.509 -6.527 10.856 1.00 0.00 H new ATOM 189 P DG A 7 7.014 -8.154 7.233 1.00 0.00 P ATOM 190 OP1 DG A 7 7.973 -8.026 6.114 1.00 0.00 O ATOM 191 OP2 DG A 7 5.907 -9.133 7.144 1.00 0.00 O ATOM 192 O5' DG A 7 7.851 -8.461 8.581 1.00 0.00 O ATOM 193 C5' DG A 7 8.948 -7.648 8.947 1.00 0.00 C ATOM 194 C4' DG A 7 9.575 -8.049 10.283 1.00 0.00 C ATOM 195 O4' DG A 7 8.683 -7.786 11.356 1.00 0.00 O ATOM 196 C3' DG A 7 9.947 -9.538 10.311 1.00 0.00 C ATOM 197 O3' DG A 7 11.279 -9.698 10.769 1.00 0.00 O ATOM 198 C2' DG A 7 8.893 -10.076 11.267 1.00 0.00 C ATOM 199 C1' DG A 7 8.704 -8.904 12.217 1.00 0.00 C ATOM 200 N9 DG A 7 7.434 -9.006 12.969 1.00 0.00 N ATOM 201 C8 DG A 7 6.196 -9.338 12.484 1.00 0.00 C ATOM 202 N7 DG A 7 5.229 -9.212 13.347 1.00 0.00 N ATOM 203 C5 DG A 7 5.877 -8.810 14.510 1.00 0.00 C ATOM 204 C6 DG A 7 5.349 -8.551 15.810 1.00 0.00 C ATOM 205 O6 DG A 7 4.171 -8.529 16.153 1.00 0.00 O ATOM 206 N1 DG A 7 6.345 -8.302 16.750 1.00 0.00 N ATOM 207 C2 DG A 7 7.697 -8.278 16.466 1.00 0.00 C ATOM 208 N2 DG A 7 8.533 -8.061 17.486 1.00 0.00 N ATOM 209 N3 DG A 7 8.192 -8.466 15.232 1.00 0.00 N ATOM 210 C4 DG A 7 7.235 -8.733 14.302 1.00 0.00 C ATOM 0 H5' DG A 7 8.620 -6.610 9.004 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.707 -7.700 8.166 1.00 0.00 H new ATOM 0 H4' DG A 7 10.481 -7.454 10.396 1.00 0.00 H new ATOM 0 H3' DG A 7 9.942 -10.056 9.352 1.00 0.00 H new ATOM 0 H2' DG A 7 7.969 -10.337 10.751 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.232 -10.972 11.786 1.00 0.00 H new ATOM 0 H1' DG A 7 9.486 -8.854 12.975 1.00 0.00 H new ATOM 0 H8 DG A 7 6.036 -9.676 11.471 1.00 0.00 H new ATOM 0 H1 DG A 7 6.058 -8.125 17.713 1.00 0.00 H new ATOM 0 H21 DG A 7 9.540 -8.035 17.324 1.00 0.00 H new ATOM 0 H22 DG A 7 8.164 -7.922 18.427 1.00 0.00 H new ATOM 222 P DC A 8 11.959 -11.152 10.946 1.00 0.00 P ATOM 223 OP1 DC A 8 13.428 -10.994 10.854 1.00 0.00 O ATOM 224 OP2 DC A 8 11.264 -12.116 10.065 1.00 0.00 O ATOM 225 O5' DC A 8 11.579 -11.496 12.473 1.00 0.00 O ATOM 226 C5' DC A 8 12.214 -10.826 13.542 1.00 0.00 C ATOM 227 C4' DC A 8 11.573 -11.184 14.884 1.00 0.00 C ATOM 228 O4' DC A 8 10.221 -10.792 14.893 1.00 0.00 O ATOM 229 C3' DC A 8 11.551 -12.679 15.204 1.00 0.00 C ATOM 230 O3' DC A 8 12.757 -13.121 15.789 1.00 0.00 O ATOM 231 C2' DC A 8 10.376 -12.783 16.175 1.00 0.00 C ATOM 232 C1' DC A 8 9.599 -11.478 15.959 1.00 0.00 C ATOM 233 N1 DC A 8 8.168 -11.735 15.648 1.00 0.00 N ATOM 234 C2 DC A 8 7.211 -11.556 16.648 1.00 0.00 C ATOM 235 O2 DC A 8 7.530 -11.266 17.799 1.00 0.00 O ATOM 236 N3 DC A 8 5.897 -11.709 16.323 1.00 0.00 N ATOM 237 C4 DC A 8 5.519 -12.038 15.078 1.00 0.00 C ATOM 238 N4 DC A 8 4.213 -12.119 14.810 1.00 0.00 N ATOM 239 C5 DC A 8 6.490 -12.268 14.043 1.00 0.00 C ATOM 240 C6 DC A 8 7.791 -12.102 14.378 1.00 0.00 C ATOM 0 H5' DC A 8 12.155 -9.749 13.385 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.272 -11.088 13.561 1.00 0.00 H new ATOM 0 H4' DC A 8 12.190 -10.667 15.619 1.00 0.00 H new ATOM 0 H3' DC A 8 11.446 -13.307 14.319 1.00 0.00 H new ATOM 0 H2' DC A 8 9.758 -13.655 15.962 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.717 -12.878 17.206 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.697 -14.081 15.978 1.00 0.00 H new ATOM 0 H1' DC A 8 9.616 -10.882 16.871 1.00 0.00 H new ATOM 0 H41 DC A 8 3.899 -12.367 13.872 1.00 0.00 H new ATOM 0 H42 DC A 8 3.529 -11.933 15.544 1.00 0.00 H new ATOM 0 H5 DC A 8 6.195 -12.559 13.046 1.00 0.00 H new ATOM 0 H6 DC A 8 8.552 -12.262 13.629 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.739 -11.067 24.178 1.00 0.00 O ATOM 255 C5' DG B 1 -0.903 -11.692 25.129 1.00 0.00 C ATOM 256 C4' DG B 1 0.561 -11.274 24.945 1.00 0.00 C ATOM 257 O4' DG B 1 1.029 -11.680 23.666 1.00 0.00 O ATOM 258 C3' DG B 1 0.791 -9.763 25.096 1.00 0.00 C ATOM 259 O3' DG B 1 1.969 -9.524 25.848 1.00 0.00 O ATOM 260 C2' DG B 1 0.947 -9.381 23.633 1.00 0.00 C ATOM 261 C1' DG B 1 1.703 -10.583 23.087 1.00 0.00 C ATOM 262 N9 DG B 1 1.671 -10.636 21.603 1.00 0.00 N ATOM 263 C8 DG B 1 0.584 -10.695 20.757 1.00 0.00 C ATOM 264 N7 DG B 1 0.895 -10.766 19.494 1.00 0.00 N ATOM 265 C5 DG B 1 2.284 -10.763 19.488 1.00 0.00 C ATOM 266 C6 DG B 1 3.194 -10.858 18.392 1.00 0.00 C ATOM 267 O6 DG B 1 2.926 -10.961 17.197 1.00 0.00 O ATOM 268 N1 DG B 1 4.525 -10.826 18.802 1.00 0.00 N ATOM 269 C2 DG B 1 4.933 -10.730 20.120 1.00 0.00 C ATOM 270 N2 DG B 1 6.249 -10.700 20.355 1.00 0.00 N ATOM 271 N3 DG B 1 4.077 -10.662 21.153 1.00 0.00 N ATOM 272 C4 DG B 1 2.770 -10.684 20.773 1.00 0.00 C ATOM 0 H5' DG B 1 -0.989 -12.775 25.036 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.234 -11.431 26.134 1.00 0.00 H new ATOM 0 H4' DG B 1 1.116 -11.771 25.741 1.00 0.00 H new ATOM 0 H3' DG B 1 0.016 -9.205 25.621 1.00 0.00 H new ATOM 0 H2' DG B 1 -0.015 -9.243 23.140 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.506 -8.453 23.508 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.666 -11.354 24.319 1.00 0.00 H new ATOM 0 H1' DG B 1 2.765 -10.559 23.332 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.436 -10.683 21.111 1.00 0.00 H new ATOM 0 H1 DG B 1 5.246 -10.877 18.083 1.00 0.00 H new ATOM 0 H21 DG B 1 6.595 -10.630 21.312 1.00 0.00 H new ATOM 0 H22 DG B 1 6.907 -10.747 19.577 1.00 0.00 H new ATOM 285 P DC B 2 2.515 -8.034 26.162 1.00 0.00 P ATOM 286 OP1 DC B 2 2.907 -7.982 27.588 1.00 0.00 O ATOM 287 OP2 DC B 2 1.548 -7.047 25.633 1.00 0.00 O ATOM 288 O5' DC B 2 3.855 -7.957 25.261 1.00 0.00 O ATOM 289 C5' DC B 2 4.993 -8.728 25.595 1.00 0.00 C ATOM 290 C4' DC B 2 6.269 -8.352 24.845 1.00 0.00 C ATOM 291 O4' DC B 2 6.183 -8.679 23.468 1.00 0.00 O ATOM 292 C3' DC B 2 6.529 -6.852 24.990 1.00 0.00 C ATOM 293 O3' DC B 2 7.916 -6.635 25.186 1.00 0.00 O ATOM 294 C2' DC B 2 5.983 -6.360 23.671 1.00 0.00 C ATOM 295 C1' DC B 2 6.347 -7.494 22.717 1.00 0.00 C ATOM 296 N1 DC B 2 5.427 -7.514 21.559 1.00 0.00 N ATOM 297 C2 DC B 2 5.917 -7.524 20.251 1.00 0.00 C ATOM 298 O2 DC B 2 7.122 -7.585 20.017 1.00 0.00 O ATOM 299 N3 DC B 2 5.017 -7.467 19.225 1.00 0.00 N ATOM 300 C4 DC B 2 3.698 -7.376 19.460 1.00 0.00 C ATOM 301 N4 DC B 2 2.854 -7.364 18.425 1.00 0.00 N ATOM 302 C5 DC B 2 3.189 -7.388 20.801 1.00 0.00 C ATOM 303 C6 DC B 2 4.081 -7.489 21.795 1.00 0.00 C ATOM 0 H5' DC B 2 4.772 -9.778 25.402 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.177 -8.633 26.665 1.00 0.00 H new ATOM 0 H4' DC B 2 7.090 -8.922 25.280 1.00 0.00 H new ATOM 0 H3' DC B 2 6.073 -6.340 25.837 1.00 0.00 H new ATOM 0 H2' DC B 2 4.906 -6.196 23.714 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.438 -5.416 23.371 1.00 0.00 H new ATOM 0 H1' DC B 2 7.359 -7.381 22.329 1.00 0.00 H new ATOM 0 H41 DC B 2 1.849 -7.295 18.587 1.00 0.00 H new ATOM 0 H42 DC B 2 3.214 -7.423 17.473 1.00 0.00 H new ATOM 0 H5 DC B 2 2.130 -7.318 21.001 1.00 0.00 H new ATOM 0 H6 DC B 2 3.726 -7.553 22.813 1.00 0.00 H new ATOM 315 P DG B 3 8.603 -5.174 25.111 1.00 0.00 P ATOM 316 OP1 DG B 3 9.775 -5.170 26.014 1.00 0.00 O ATOM 317 OP2 DG B 3 7.557 -4.137 25.258 1.00 0.00 O ATOM 318 O5' DG B 3 9.136 -5.162 23.586 1.00 0.00 O ATOM 319 C5' DG B 3 10.158 -6.057 23.187 1.00 0.00 C ATOM 320 C4' DG B 3 10.689 -5.790 21.789 1.00 0.00 C ATOM 321 O4' DG B 3 9.685 -5.947 20.804 1.00 0.00 O ATOM 322 C3' DG B 3 11.254 -4.370 21.755 1.00 0.00 C ATOM 323 O3' DG B 3 12.625 -4.387 21.398 1.00 0.00 O ATOM 324 C2' DG B 3 10.324 -3.720 20.748 1.00 0.00 C ATOM 325 C1' DG B 3 9.745 -4.853 19.914 1.00 0.00 C ATOM 326 N9 DG B 3 8.375 -4.570 19.435 1.00 0.00 N ATOM 327 C8 DG B 3 7.264 -4.269 20.180 1.00 0.00 C ATOM 328 N7 DG B 3 6.139 -4.356 19.532 1.00 0.00 N ATOM 329 C5 DG B 3 6.531 -4.713 18.248 1.00 0.00 C ATOM 330 C6 DG B 3 5.742 -5.009 17.100 1.00 0.00 C ATOM 331 O6 DG B 3 4.521 -5.129 17.036 1.00 0.00 O ATOM 332 N1 DG B 3 6.519 -5.169 15.955 1.00 0.00 N ATOM 333 C2 DG B 3 7.902 -5.150 15.937 1.00 0.00 C ATOM 334 N2 DG B 3 8.508 -5.332 14.760 1.00 0.00 N ATOM 335 N3 DG B 3 8.645 -4.990 17.043 1.00 0.00 N ATOM 336 C4 DG B 3 7.902 -4.766 18.160 1.00 0.00 C ATOM 0 H5' DG B 3 9.775 -7.076 23.232 1.00 0.00 H new ATOM 0 H5'' DG B 3 10.982 -5.994 23.898 1.00 0.00 H new ATOM 0 H4' DG B 3 11.469 -6.516 21.560 1.00 0.00 H new ATOM 0 H3' DG B 3 11.270 -3.828 22.700 1.00 0.00 H new ATOM 0 H2' DG B 3 9.533 -3.163 21.251 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.864 -3.011 20.120 1.00 0.00 H new ATOM 0 H1' DG B 3 10.356 -5.020 19.027 1.00 0.00 H new ATOM 0 H8 DG B 3 7.318 -3.983 21.220 1.00 0.00 H new ATOM 0 H1 DG B 3 6.035 -5.310 15.068 1.00 0.00 H new ATOM 0 H21 DG B 3 9.526 -5.325 14.704 1.00 0.00 H new ATOM 0 H22 DG B 3 7.952 -5.478 13.917 1.00 0.00 H new ATOM 348 P DT B 4 13.495 -3.032 21.228 1.00 0.00 P ATOM 349 OP1 DT B 4 14.930 -3.395 21.240 1.00 0.00 O ATOM 350 OP2 DT B 4 12.982 -2.009 22.166 1.00 0.00 O ATOM 351 O5' DT B 4 13.093 -2.602 19.729 1.00 0.00 O ATOM 352 C5' DT B 4 13.308 -3.501 18.664 1.00 0.00 C ATOM 353 C4' DT B 4 12.649 -3.083 17.355 1.00 0.00 C ATOM 354 O4' DT B 4 11.245 -3.154 17.482 1.00 0.00 O ATOM 355 C3' DT B 4 13.020 -1.668 16.889 1.00 0.00 C ATOM 356 O3' DT B 4 13.747 -1.754 15.677 1.00 0.00 O ATOM 357 C2' DT B 4 11.646 -1.011 16.760 1.00 0.00 C ATOM 358 C1' DT B 4 10.711 -2.204 16.595 1.00 0.00 C ATOM 359 N1 DT B 4 9.328 -1.841 16.973 1.00 0.00 N ATOM 360 C2 DT B 4 8.303 -1.903 16.028 1.00 0.00 C ATOM 361 O2 DT B 4 8.494 -2.118 14.833 1.00 0.00 O ATOM 362 N3 DT B 4 7.018 -1.705 16.515 1.00 0.00 N ATOM 363 C4 DT B 4 6.682 -1.407 17.830 1.00 0.00 C ATOM 364 O4 DT B 4 5.503 -1.277 18.149 1.00 0.00 O ATOM 365 C5 DT B 4 7.820 -1.278 18.722 1.00 0.00 C ATOM 366 C7 DT B 4 7.624 -0.902 20.172 1.00 0.00 C ATOM 367 C6 DT B 4 9.075 -1.500 18.273 1.00 0.00 C ATOM 0 H5' DT B 4 12.932 -4.483 18.950 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.381 -3.605 18.501 1.00 0.00 H new ATOM 0 H4' DT B 4 13.022 -3.778 16.603 1.00 0.00 H new ATOM 0 H3' DT B 4 13.671 -1.095 17.550 1.00 0.00 H new ATOM 0 H2' DT B 4 11.396 -0.421 17.642 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.598 -0.339 15.903 1.00 0.00 H new ATOM 0 H1' DT B 4 10.651 -2.567 15.569 1.00 0.00 H new ATOM 0 H3 DT B 4 6.251 -1.786 15.847 1.00 0.00 H new ATOM 0 H71 DT B 4 8.416 -1.348 20.774 1.00 0.00 H new ATOM 0 H72 DT B 4 7.658 0.183 20.274 1.00 0.00 H new ATOM 0 H73 DT B 4 6.657 -1.269 20.516 1.00 0.00 H new ATOM 0 H6 DT B 4 9.902 -1.405 18.961 1.00 0.00 H new ATOM 380 P DA B 5 14.261 -0.449 14.881 1.00 0.00 P ATOM 381 OP1 DA B 5 15.465 -0.822 14.106 1.00 0.00 O ATOM 382 OP2 DA B 5 14.313 0.694 15.821 1.00 0.00 O ATOM 383 O5' DA B 5 13.050 -0.203 13.851 1.00 0.00 O ATOM 384 C5' DA B 5 12.759 -1.140 12.832 1.00 0.00 C ATOM 385 C4' DA B 5 11.605 -0.635 11.966 1.00 0.00 C ATOM 386 O4' DA B 5 10.404 -0.575 12.718 1.00 0.00 O ATOM 387 C3' DA B 5 11.878 0.764 11.390 1.00 0.00 C ATOM 388 O3' DA B 5 11.804 0.677 9.979 1.00 0.00 O ATOM 389 C2' DA B 5 10.783 1.602 12.058 1.00 0.00 C ATOM 390 C1' DA B 5 9.682 0.565 12.302 1.00 0.00 C ATOM 391 N9 DA B 5 8.743 0.969 13.371 1.00 0.00 N ATOM 392 C8 DA B 5 9.086 1.365 14.630 1.00 0.00 C ATOM 393 N7 DA B 5 8.101 1.419 15.480 1.00 0.00 N ATOM 394 C5 DA B 5 7.000 1.078 14.704 1.00 0.00 C ATOM 395 C6 DA B 5 5.630 0.945 15.005 1.00 0.00 C ATOM 396 N6 DA B 5 5.155 1.055 16.249 1.00 0.00 N ATOM 397 N1 DA B 5 4.775 0.672 14.001 1.00 0.00 N ATOM 398 C2 DA B 5 5.260 0.510 12.772 1.00 0.00 C ATOM 399 N3 DA B 5 6.530 0.552 12.369 1.00 0.00 N ATOM 400 C4 DA B 5 7.370 0.849 13.400 1.00 0.00 C ATOM 0 H5' DA B 5 12.498 -2.101 13.275 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.642 -1.303 12.215 1.00 0.00 H new ATOM 0 H4' DA B 5 11.507 -1.343 11.143 1.00 0.00 H new ATOM 0 H3' DA B 5 12.857 1.204 11.583 1.00 0.00 H new ATOM 0 H2' DA B 5 11.128 2.055 12.987 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.442 2.413 11.415 1.00 0.00 H new ATOM 0 H1' DA B 5 9.067 0.417 11.415 1.00 0.00 H new ATOM 0 H8 DA B 5 10.101 1.616 14.902 1.00 0.00 H new ATOM 0 H61 DA B 5 4.155 0.952 16.424 1.00 0.00 H new ATOM 0 H62 DA B 5 5.792 1.242 17.023 1.00 0.00 H new ATOM 0 H2 DA B 5 4.529 0.320 12.000 1.00 0.00 H new ATOM 412 P DC B 6 11.961 1.956 9.010 1.00 0.00 P ATOM 413 OP1 DC B 6 12.345 1.476 7.664 1.00 0.00 O ATOM 414 OP2 DC B 6 12.780 2.981 9.695 1.00 0.00 O ATOM 415 O5' DC B 6 10.440 2.470 8.951 1.00 0.00 O ATOM 416 C5' DC B 6 9.409 1.629 8.474 1.00 0.00 C ATOM 417 C4' DC B 6 8.053 2.293 8.698 1.00 0.00 C ATOM 418 O4' DC B 6 7.825 2.369 10.087 1.00 0.00 O ATOM 419 C3' DC B 6 7.888 3.707 8.137 1.00 0.00 C ATOM 420 O3' DC B 6 7.198 3.708 6.898 1.00 0.00 O ATOM 421 C2' DC B 6 7.147 4.434 9.258 1.00 0.00 C ATOM 422 C1' DC B 6 6.841 3.350 10.277 1.00 0.00 C ATOM 423 N1 DC B 6 6.859 3.856 11.673 1.00 0.00 N ATOM 424 C2 DC B 6 5.677 3.844 12.408 1.00 0.00 C ATOM 425 O2 DC B 6 4.591 3.630 11.876 1.00 0.00 O ATOM 426 N3 DC B 6 5.744 4.076 13.747 1.00 0.00 N ATOM 427 C4 DC B 6 6.908 4.346 14.352 1.00 0.00 C ATOM 428 N4 DC B 6 6.908 4.502 15.680 1.00 0.00 N ATOM 429 C5 DC B 6 8.133 4.421 13.605 1.00 0.00 C ATOM 430 C6 DC B 6 8.051 4.176 12.277 1.00 0.00 C ATOM 0 H5' DC B 6 9.443 0.669 8.989 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.554 1.427 7.413 1.00 0.00 H new ATOM 0 H4' DC B 6 7.342 1.669 8.156 1.00 0.00 H new ATOM 0 H3' DC B 6 8.831 4.195 7.890 1.00 0.00 H new ATOM 0 H2' DC B 6 7.760 5.225 9.691 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.234 4.903 8.891 1.00 0.00 H new ATOM 0 H1' DC B 6 5.834 2.960 10.130 1.00 0.00 H new ATOM 0 H41 DC B 6 7.779 4.708 16.169 1.00 0.00 H new ATOM 0 H42 DC B 6 6.037 4.415 16.204 1.00 0.00 H new ATOM 0 H5 DC B 6 9.073 4.661 14.080 1.00 0.00 H new ATOM 0 H6 DC B 6 8.946 4.233 11.676 1.00 0.00 H new ATOM 442 P DG B 7 6.846 5.078 6.107 1.00 0.00 P ATOM 443 OP1 DG B 7 6.556 4.733 4.698 1.00 0.00 O ATOM 444 OP2 DG B 7 7.886 6.084 6.418 1.00 0.00 O ATOM 445 O5' DG B 7 5.467 5.545 6.806 1.00 0.00 O ATOM 446 C5' DG B 7 4.305 4.744 6.713 1.00 0.00 C ATOM 447 C4' DG B 7 3.117 5.316 7.488 1.00 0.00 C ATOM 448 O4' DG B 7 3.359 5.268 8.886 1.00 0.00 O ATOM 449 C3' DG B 7 2.830 6.772 7.092 1.00 0.00 C ATOM 450 O3' DG B 7 1.452 6.936 6.808 1.00 0.00 O ATOM 451 C2' DG B 7 3.300 7.504 8.340 1.00 0.00 C ATOM 452 C1' DG B 7 2.960 6.505 9.437 1.00 0.00 C ATOM 453 N9 DG B 7 3.705 6.785 10.684 1.00 0.00 N ATOM 454 C8 DG B 7 5.032 7.097 10.818 1.00 0.00 C ATOM 455 N7 DG B 7 5.451 7.152 12.050 1.00 0.00 N ATOM 456 C5 DG B 7 4.305 6.904 12.797 1.00 0.00 C ATOM 457 C6 DG B 7 4.124 6.874 14.212 1.00 0.00 C ATOM 458 O6 DG B 7 4.983 6.962 15.084 1.00 0.00 O ATOM 459 N1 DG B 7 2.788 6.726 14.575 1.00 0.00 N ATOM 460 C2 DG B 7 1.745 6.595 13.677 1.00 0.00 C ATOM 461 N2 DG B 7 0.512 6.497 14.182 1.00 0.00 N ATOM 462 N3 DG B 7 1.921 6.567 12.346 1.00 0.00 N ATOM 463 C4 DG B 7 3.219 6.732 11.970 1.00 0.00 C ATOM 0 H5' DG B 7 4.529 3.745 7.088 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.029 4.636 5.664 1.00 0.00 H new ATOM 0 H4' DG B 7 2.252 4.702 7.238 1.00 0.00 H new ATOM 0 H3' DG B 7 3.321 7.133 6.188 1.00 0.00 H new ATOM 0 H2' DG B 7 4.367 7.726 8.306 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.781 8.453 8.477 1.00 0.00 H new ATOM 0 H1' DG B 7 1.907 6.537 9.717 1.00 0.00 H new ATOM 0 H8 DG B 7 5.677 7.282 9.972 1.00 0.00 H new ATOM 0 H1 DG B 7 2.564 6.713 15.570 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.289 6.399 13.558 1.00 0.00 H new ATOM 0 H22 DG B 7 0.371 6.520 15.192 1.00 0.00 H new ATOM 475 P DC B 8 0.823 8.365 6.395 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.417 8.123 5.624 1.00 0.00 O ATOM 477 OP2 DC B 8 1.894 9.212 5.825 1.00 0.00 O ATOM 478 O5' DC B 8 0.418 8.961 7.835 1.00 0.00 O ATOM 479 C5' DC B 8 -0.682 8.435 8.549 1.00 0.00 C ATOM 480 C4' DC B 8 -0.767 9.027 9.957 1.00 0.00 C ATOM 481 O4' DC B 8 0.395 8.709 10.685 1.00 0.00 O ATOM 482 C3' DC B 8 -0.855 10.553 10.004 1.00 0.00 C ATOM 483 O3' DC B 8 -2.177 11.022 9.847 1.00 0.00 O ATOM 484 C2' DC B 8 -0.299 10.865 11.393 1.00 0.00 C ATOM 485 C1' DC B 8 0.439 9.582 11.794 1.00 0.00 C ATOM 486 N1 DC B 8 1.848 9.857 12.184 1.00 0.00 N ATOM 487 C2 DC B 8 2.188 9.880 13.537 1.00 0.00 C ATOM 488 O2 DC B 8 1.337 9.756 14.416 1.00 0.00 O ATOM 489 N3 DC B 8 3.497 10.044 13.875 1.00 0.00 N ATOM 490 C4 DC B 8 4.445 10.196 12.938 1.00 0.00 C ATOM 491 N4 DC B 8 5.718 10.299 13.332 1.00 0.00 N ATOM 492 C5 DC B 8 4.113 10.217 11.540 1.00 0.00 C ATOM 493 C6 DC B 8 2.810 10.042 11.219 1.00 0.00 C ATOM 0 H5' DC B 8 -0.591 7.351 8.613 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.604 8.646 8.007 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.681 8.600 10.370 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.311 11.040 9.195 1.00 0.00 H new ATOM 0 H2' DC B 8 0.374 11.722 11.370 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.096 11.104 12.097 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.183 12.001 9.886 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.043 9.135 12.664 1.00 0.00 H new ATOM 0 H41 DC B 8 6.458 10.415 12.640 1.00 0.00 H new ATOM 0 H42 DC B 8 5.949 10.261 14.325 1.00 0.00 H new ATOM 0 H5 DC B 8 4.867 10.365 10.782 1.00 0.00 H new ATOM 0 H6 DC B 8 2.518 10.048 10.179 1.00 0.00 H new TER 506 DC B 8