USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 135 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= -0.363 USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.835 -12.533 -0.570 1.00 41.21 O ATOM 2 C5' DG A 1 -1.411 -12.468 -0.595 1.00 51.33 C ATOM 3 C4' DG A 1 -0.916 -11.535 0.487 1.00 23.43 C ATOM 4 O4' DG A 1 -0.832 -10.164 0.117 1.00 3.13 O ATOM 5 C3' DG A 1 -1.863 -11.384 1.672 1.00 53.32 C ATOM 6 O3' DG A 1 -1.112 -11.075 2.844 1.00 32.03 O ATOM 7 C2' DG A 1 -2.791 -10.261 1.299 1.00 13.50 C ATOM 8 C1' DG A 1 -1.815 -9.295 0.635 1.00 54.42 C ATOM 9 N9 DG A 1 -2.428 -8.483 -0.438 1.00 45.41 N ATOM 10 C8 DG A 1 -3.690 -8.007 -0.485 1.00 42.15 C ATOM 11 N7 DG A 1 -3.933 -7.309 -1.590 1.00 1.21 N ATOM 12 C5 DG A 1 -2.747 -7.352 -2.273 1.00 53.53 C ATOM 13 C6 DG A 1 -2.364 -6.802 -3.514 1.00 32.21 C ATOM 14 O6 DG A 1 -3.088 -6.134 -4.251 1.00 22.41 O ATOM 15 N1 DG A 1 -1.088 -7.025 -3.931 1.00 60.11 N ATOM 16 C2 DG A 1 -0.269 -7.754 -3.139 1.00 13.15 C ATOM 17 N2 DG A 1 0.939 -7.884 -3.683 1.00 10.33 N ATOM 18 N3 DG A 1 -0.528 -8.324 -1.947 1.00 24.33 N ATOM 19 C4 DG A 1 -1.815 -8.064 -1.588 1.00 52.31 C ATOM 0 H5' DG A 1 -1.072 -12.119 -1.570 1.00 51.33 H new ATOM 0 H5'' DG A 1 -0.991 -13.463 -0.449 1.00 51.33 H new ATOM 0 H4' DG A 1 0.040 -12.014 0.700 1.00 23.43 H new ATOM 0 H3' DG A 1 -2.422 -12.295 1.886 1.00 53.32 H new ATOM 0 H2' DG A 1 -3.580 -10.584 0.619 1.00 13.50 H new ATOM 0 H2'' DG A 1 -3.280 -9.822 2.169 1.00 13.50 H new ATOM 0 HO5' DG A 1 -3.147 -13.138 -1.275 1.00 41.21 H new ATOM 0 H1' DG A 1 -1.435 -8.550 1.334 1.00 54.42 H new ATOM 0 H8 DG A 1 -4.423 -8.175 0.291 1.00 42.15 H new ATOM 0 H1 DG A 1 -0.757 -6.651 -4.820 1.00 60.11 H new ATOM 0 H21 DG A 1 1.664 -8.411 -3.196 1.00 10.33 H new ATOM 0 H22 DG A 1 1.140 -7.456 -4.587 1.00 10.33 H new ATOM 32 P DG A 2 -1.757 -11.297 4.291 1.00 72.33 P ATOM 33 OP1 DG A 2 -1.678 -12.729 4.659 1.00 21.53 O ATOM 34 OP2 DG A 2 -3.088 -10.649 4.348 1.00 5.13 O ATOM 35 O5' DG A 2 -0.772 -10.484 5.254 1.00 24.03 O ATOM 36 C5' DG A 2 0.637 -10.530 5.035 1.00 73.11 C ATOM 37 C4' DG A 2 1.111 -9.230 4.424 1.00 2.31 C ATOM 38 O4' DG A 2 0.203 -8.744 3.497 1.00 11.20 O ATOM 39 C3' DG A 2 1.291 -8.092 5.424 1.00 52.23 C ATOM 40 O3' DG A 2 2.682 -7.855 5.626 1.00 63.34 O ATOM 41 C2' DG A 2 0.612 -6.904 4.798 1.00 63.31 C ATOM 42 C1' DG A 2 0.496 -7.372 3.352 1.00 4.15 C ATOM 43 N9 DG A 2 -0.564 -6.677 2.591 1.00 42.53 N ATOM 44 C8 DG A 2 -1.817 -6.396 3.003 1.00 71.05 C ATOM 45 N7 DG A 2 -2.530 -5.759 2.080 1.00 4.00 N ATOM 46 C5 DG A 2 -1.666 -5.637 1.025 1.00 30.21 C ATOM 47 C6 DG A 2 -1.825 -5.054 -0.251 1.00 44.32 C ATOM 48 O6 DG A 2 -2.850 -4.514 -0.665 1.00 20.32 O ATOM 49 N1 DG A 2 -0.757 -5.092 -1.093 1.00 32.43 N ATOM 50 C2 DG A 2 0.383 -5.678 -0.664 1.00 55.21 C ATOM 51 N2 DG A 2 1.330 -5.635 -1.598 1.00 3.23 N ATOM 52 N3 DG A 2 0.645 -6.261 0.521 1.00 73.45 N ATOM 53 C4 DG A 2 -0.460 -6.190 1.315 1.00 62.05 C ATOM 0 H5' DG A 2 0.883 -11.362 4.375 1.00 73.11 H new ATOM 0 H5'' DG A 2 1.154 -10.707 5.978 1.00 73.11 H new ATOM 0 H4' DG A 2 2.071 -9.498 3.983 1.00 2.31 H new ATOM 0 H3' DG A 2 0.863 -8.313 6.402 1.00 52.23 H new ATOM 0 H2' DG A 2 -0.361 -6.700 5.246 1.00 63.31 H new ATOM 0 H2'' DG A 2 1.203 -5.993 4.892 1.00 63.31 H new ATOM 0 H1' DG A 2 1.400 -7.164 2.780 1.00 4.15 H new ATOM 0 H8 DG A 2 -2.200 -6.660 3.978 1.00 71.05 H new ATOM 0 H1 DG A 2 -0.815 -4.687 -2.027 1.00 32.43 H new ATOM 0 H21 DG A 2 2.247 -6.041 -1.413 1.00 3.23 H new ATOM 0 H22 DG A 2 1.138 -5.196 -2.499 1.00 3.23 H new ATOM 65 P DC A 3 3.222 -7.453 7.078 1.00 2.04 P ATOM 66 OP1 DC A 3 3.885 -8.619 7.702 1.00 42.45 O ATOM 67 OP2 DC A 3 2.143 -6.789 7.845 1.00 1.14 O ATOM 68 O5' DC A 3 4.345 -6.361 6.756 1.00 74.34 O ATOM 69 C5' DC A 3 5.174 -6.510 5.607 1.00 23.44 C ATOM 70 C4' DC A 3 5.195 -5.227 4.808 1.00 73.32 C ATOM 71 O4' DC A 3 3.935 -5.013 4.255 1.00 60.44 O ATOM 72 C3' DC A 3 5.487 -3.975 5.632 1.00 23.24 C ATOM 73 O3' DC A 3 6.664 -3.343 5.132 1.00 75.04 O ATOM 74 C2' DC A 3 4.276 -3.100 5.469 1.00 35.22 C ATOM 75 C1' DC A 3 3.724 -3.622 4.146 1.00 42.14 C ATOM 76 N1 DC A 3 2.293 -3.314 3.941 1.00 44.52 N ATOM 77 C2 DC A 3 1.897 -2.888 2.676 1.00 11.31 C ATOM 78 O2 DC A 3 2.752 -2.790 1.789 1.00 65.43 O ATOM 79 N3 DC A 3 0.600 -2.602 2.464 1.00 63.24 N ATOM 80 C4 DC A 3 -0.301 -2.712 3.421 1.00 4.20 C ATOM 81 N4 DC A 3 -1.576 -2.424 3.194 1.00 22.13 N ATOM 82 C5 DC A 3 0.085 -3.152 4.743 1.00 12.23 C ATOM 83 C6 DC A 3 1.381 -3.434 4.937 1.00 42.13 C ATOM 0 H5' DC A 3 4.805 -7.327 4.987 1.00 23.44 H new ATOM 0 H5'' DC A 3 6.187 -6.774 5.912 1.00 23.44 H new ATOM 0 H4' DC A 3 5.990 -5.363 4.075 1.00 73.32 H new ATOM 0 H3' DC A 3 5.668 -4.192 6.685 1.00 23.24 H new ATOM 0 H2' DC A 3 3.567 -3.218 6.288 1.00 35.22 H new ATOM 0 H2'' DC A 3 4.534 -2.042 5.421 1.00 35.22 H new ATOM 0 H1' DC A 3 4.211 -3.158 3.288 1.00 42.14 H new ATOM 0 H41 DC A 3 -2.261 -2.514 3.945 1.00 22.13 H new ATOM 0 H42 DC A 3 -1.872 -2.112 2.269 1.00 22.13 H new ATOM 0 H5 DC A 3 -0.639 -3.249 5.539 1.00 12.23 H new ATOM 0 H6 DC A 3 1.707 -3.765 5.912 1.00 42.13 H new ATOM 95 P DC A 4 7.696 -2.657 6.144 1.00 14.53 P ATOM 96 OP1 DC A 4 8.849 -3.560 6.366 1.00 32.43 O ATOM 97 OP2 DC A 4 6.972 -2.168 7.338 1.00 60.55 O ATOM 98 O5' DC A 4 8.215 -1.386 5.323 1.00 50.43 O ATOM 99 C5' DC A 4 8.430 -1.484 3.917 1.00 30.22 C ATOM 100 C4' DC A 4 7.743 -0.340 3.204 1.00 42.25 C ATOM 101 O4' DC A 4 6.333 -0.483 3.330 1.00 4.35 O ATOM 102 C3' DC A 4 8.046 1.037 3.787 1.00 33.22 C ATOM 103 O3' DC A 4 8.499 1.903 2.749 1.00 13.44 O ATOM 104 C2' DC A 4 6.744 1.513 4.374 1.00 23.25 C ATOM 105 C1' DC A 4 5.746 0.790 3.477 1.00 21.51 C ATOM 106 N1 DC A 4 4.392 0.691 4.062 1.00 24.43 N ATOM 107 C2 DC A 4 3.304 0.802 3.199 1.00 33.11 C ATOM 108 O2 DC A 4 3.519 0.976 1.993 1.00 40.45 O ATOM 109 N3 DC A 4 2.063 0.715 3.707 1.00 50.42 N ATOM 110 C4 DC A 4 1.851 0.526 4.994 1.00 21.14 C ATOM 111 N4 DC A 4 0.617 0.443 5.478 1.00 32.31 N ATOM 112 C5 DC A 4 2.962 0.410 5.911 1.00 14.31 C ATOM 113 C6 DC A 4 4.193 0.499 5.389 1.00 42.32 C ATOM 0 H5' DC A 4 8.046 -2.435 3.548 1.00 30.22 H new ATOM 0 H5'' DC A 4 9.499 -1.467 3.703 1.00 30.22 H new ATOM 0 H4' DC A 4 8.111 -0.390 2.179 1.00 42.25 H new ATOM 0 H3' DC A 4 8.830 1.015 4.544 1.00 33.22 H new ATOM 0 H2' DC A 4 6.636 1.233 5.422 1.00 23.25 H new ATOM 0 H2'' DC A 4 6.638 2.597 4.321 1.00 23.25 H new ATOM 0 H1' DC A 4 5.580 1.319 2.538 1.00 21.51 H new ATOM 0 H41 DC A 4 0.470 0.297 6.477 1.00 32.31 H new ATOM 0 H42 DC A 4 -0.183 0.526 4.851 1.00 32.31 H new ATOM 0 H5 DC A 4 2.807 0.258 6.969 1.00 14.31 H new ATOM 0 H6 DC A 4 5.049 0.416 6.043 1.00 42.32 H new ATOM 125 P DG A 5 9.895 2.669 2.898 1.00 11.02 P ATOM 126 OP1 DG A 5 10.894 2.068 1.985 1.00 54.52 O ATOM 127 OP2 DG A 5 10.255 2.775 4.329 1.00 41.13 O ATOM 128 O5' DG A 5 9.558 4.138 2.362 1.00 34.44 O ATOM 129 C5' DG A 5 8.646 4.311 1.279 1.00 44.53 C ATOM 130 C4' DG A 5 7.415 5.053 1.750 1.00 14.14 C ATOM 131 O4' DG A 5 6.919 4.394 2.823 1.00 50.12 O ATOM 132 C3' DG A 5 7.706 6.389 2.428 1.00 62.04 C ATOM 133 O3' DG A 5 7.725 7.425 1.449 1.00 3.44 O ATOM 134 C2' DG A 5 6.587 6.582 3.415 1.00 30.13 C ATOM 135 C1' DG A 5 5.900 5.223 3.338 1.00 24.13 C ATOM 136 N9 DG A 5 5.420 4.730 4.646 1.00 21.01 N ATOM 137 C8 DG A 5 6.133 4.597 5.783 1.00 12.12 C ATOM 138 N7 DG A 5 5.408 4.122 6.792 1.00 34.34 N ATOM 139 C5 DG A 5 4.163 3.950 6.247 1.00 64.44 C ATOM 140 C6 DG A 5 2.956 3.477 6.807 1.00 61.40 C ATOM 141 O6 DG A 5 2.806 3.111 7.971 1.00 51.12 O ATOM 142 N1 DG A 5 1.869 3.423 5.991 1.00 70.42 N ATOM 143 C2 DG A 5 2.005 3.821 4.706 1.00 3.41 C ATOM 144 N2 DG A 5 0.857 3.708 4.041 1.00 63.03 N ATOM 145 N3 DG A 5 3.097 4.285 4.071 1.00 1.32 N ATOM 146 C4 DG A 5 4.147 4.316 4.939 1.00 4.41 C ATOM 0 H5' DG A 5 8.362 3.340 0.874 1.00 44.53 H new ATOM 0 H5'' DG A 5 9.127 4.864 0.473 1.00 44.53 H new ATOM 0 H4' DG A 5 6.799 5.152 0.856 1.00 14.14 H new ATOM 0 H3' DG A 5 8.675 6.410 2.927 1.00 62.04 H new ATOM 0 H2' DG A 5 6.954 6.803 4.417 1.00 30.13 H new ATOM 0 H2'' DG A 5 5.922 7.398 3.131 1.00 30.13 H new ATOM 0 H1' DG A 5 4.996 5.255 2.730 1.00 24.13 H new ATOM 0 H8 DG A 5 7.180 4.849 5.865 1.00 12.12 H new ATOM 0 H1 DG A 5 0.971 3.090 6.341 1.00 70.42 H new ATOM 0 H21 DG A 5 0.809 3.973 3.057 1.00 63.03 H new ATOM 0 H22 DG A 5 0.025 3.356 4.515 1.00 63.03 H new ATOM 158 P DC A 6 7.804 8.956 1.904 1.00 45.43 P ATOM 159 OP1 DC A 6 8.643 9.718 0.953 1.00 13.52 O ATOM 160 OP2 DC A 6 8.160 9.031 3.340 1.00 20.02 O ATOM 161 O5' DC A 6 6.294 9.457 1.744 1.00 12.23 O ATOM 162 C5' DC A 6 5.382 8.727 0.926 1.00 3.41 C ATOM 163 C4' DC A 6 3.983 9.274 1.087 1.00 65.03 C ATOM 164 O4' DC A 6 3.124 8.627 2.021 1.00 25.23 O ATOM 165 C3' DC A 6 3.925 10.720 1.573 1.00 34.20 C ATOM 166 O3' DC A 6 2.934 11.430 0.831 1.00 4.14 O ATOM 167 C2' DC A 6 3.567 10.635 3.030 1.00 23.12 C ATOM 168 C1' DC A 6 2.584 9.468 3.015 1.00 0.04 C ATOM 169 N1 DC A 6 2.481 8.766 4.310 1.00 3.33 N ATOM 170 C2 DC A 6 1.378 9.047 5.115 1.00 63.11 C ATOM 171 O2 DC A 6 0.544 9.864 4.710 1.00 73.22 O ATOM 172 N3 DC A 6 1.262 8.419 6.299 1.00 71.52 N ATOM 173 C4 DC A 6 2.162 7.551 6.716 1.00 14.33 C ATOM 174 N4 DC A 6 2.029 6.943 7.889 1.00 24.33 N ATOM 175 C5 DC A 6 3.315 7.241 5.901 1.00 52.44 C ATOM 176 C6 DC A 6 3.415 7.874 4.724 1.00 64.30 C ATOM 0 H5' DC A 6 5.401 7.672 1.199 1.00 3.41 H new ATOM 0 H5'' DC A 6 5.687 8.791 -0.118 1.00 3.41 H new ATOM 0 H4' DC A 6 3.646 9.119 0.062 1.00 65.03 H new ATOM 0 H3' DC A 6 4.866 11.253 1.435 1.00 34.20 H new ATOM 0 H2' DC A 6 4.435 10.436 3.658 1.00 23.12 H new ATOM 0 H2'' DC A 6 3.112 11.554 3.398 1.00 23.12 H new ATOM 0 H1' DC A 6 1.563 9.796 2.821 1.00 0.04 H new ATOM 0 H41 DC A 6 2.733 6.273 8.199 1.00 24.33 H new ATOM 0 H42 DC A 6 1.223 7.146 8.480 1.00 24.33 H new ATOM 0 H5 DC A 6 4.062 6.532 6.226 1.00 52.44 H new ATOM 0 H6 DC A 6 4.263 7.668 4.088 1.00 64.30 H new ATOM 188 P DA A 7 3.215 11.842 -0.688 1.00 11.13 P ATOM 189 OP1 DA A 7 4.383 11.093 -1.200 1.00 5.32 O ATOM 190 OP2 DA A 7 3.246 13.317 -0.806 1.00 31.31 O ATOM 191 O5' DA A 7 1.913 11.311 -1.452 1.00 73.41 O ATOM 192 C5' DA A 7 1.951 10.068 -2.147 1.00 22.13 C ATOM 193 C4' DA A 7 0.570 9.454 -2.190 1.00 11.43 C ATOM 194 O4' DA A 7 0.731 8.077 -1.833 1.00 41.05 O ATOM 195 C3' DA A 7 -0.364 9.926 -1.081 1.00 55.45 C ATOM 196 O3' DA A 7 -1.717 9.803 -1.515 1.00 3.20 O ATOM 197 C2' DA A 7 -0.076 9.025 0.090 1.00 72.45 C ATOM 198 C1' DA A 7 0.124 7.691 -0.622 1.00 44.02 C ATOM 199 N9 DA A 7 0.978 6.746 0.129 1.00 32.41 N ATOM 200 C8 DA A 7 0.996 6.538 1.461 1.00 63.41 C ATOM 201 N7 DA A 7 1.883 5.618 1.824 1.00 45.52 N ATOM 202 C5 DA A 7 2.454 5.226 0.644 1.00 72.33 C ATOM 203 C6 DA A 7 3.461 4.280 0.359 1.00 54.34 C ATOM 204 N6 DA A 7 4.094 3.527 1.295 1.00 52.13 N ATOM 205 N1 DA A 7 3.818 4.116 -0.943 1.00 52.42 N ATOM 206 C2 DA A 7 3.192 4.862 -1.882 1.00 3.14 C ATOM 207 N3 DA A 7 2.226 5.786 -1.727 1.00 64.44 N ATOM 208 C4 DA A 7 1.916 5.903 -0.406 1.00 22.15 C ATOM 0 H5' DA A 7 2.645 9.388 -1.653 1.00 22.13 H new ATOM 0 H5'' DA A 7 2.321 10.221 -3.161 1.00 22.13 H new ATOM 0 H4' DA A 7 0.166 9.695 -3.173 1.00 11.43 H new ATOM 0 H3' DA A 7 -0.212 10.972 -0.814 1.00 55.45 H new ATOM 0 H2' DA A 7 0.810 9.336 0.643 1.00 72.45 H new ATOM 0 H2'' DA A 7 -0.901 8.995 0.801 1.00 72.45 H new ATOM 0 H1' DA A 7 -0.813 7.147 -0.745 1.00 44.02 H new ATOM 0 H8 DA A 7 0.358 7.062 2.157 1.00 63.41 H new ATOM 0 H61 DA A 7 4.814 2.862 1.013 1.00 52.13 H new ATOM 0 H62 DA A 7 3.850 3.627 2.280 1.00 52.13 H new ATOM 0 H2 DA A 7 3.513 4.692 -2.899 1.00 3.14 H new ATOM 220 P DG A 8 -2.904 10.376 -0.607 1.00 4.34 P ATOM 221 OP1 DG A 8 -4.116 10.565 -1.435 1.00 72.42 O ATOM 222 OP2 DG A 8 -2.420 11.536 0.172 1.00 11.33 O ATOM 223 O5' DG A 8 -3.187 9.177 0.414 1.00 24.23 O ATOM 224 C5' DG A 8 -4.280 8.289 0.189 1.00 34.40 C ATOM 225 C4' DG A 8 -3.962 7.355 -0.956 1.00 41.14 C ATOM 226 O4' DG A 8 -2.967 6.611 -0.364 1.00 24.42 O ATOM 227 C3' DG A 8 -4.956 6.211 -1.131 1.00 55.53 C ATOM 228 O3' DG A 8 -5.906 6.558 -2.137 1.00 22.53 O ATOM 229 C2' DG A 8 -4.130 5.022 -1.536 1.00 71.52 C ATOM 230 C1' DG A 8 -2.884 5.240 -0.683 1.00 0.13 C ATOM 231 N9 DG A 8 -2.852 4.408 0.537 1.00 31.32 N ATOM 232 C8 DG A 8 -3.803 4.313 1.490 1.00 20.41 C ATOM 233 N7 DG A 8 -3.470 3.474 2.464 1.00 54.11 N ATOM 234 C5 DG A 8 -2.234 3.014 2.097 1.00 31.24 C ATOM 235 C6 DG A 8 -1.354 2.101 2.714 1.00 74.15 C ATOM 236 O6 DG A 8 -1.565 1.513 3.774 1.00 73.11 O ATOM 237 N1 DG A 8 -0.174 1.847 2.086 1.00 53.10 N ATOM 238 C2 DG A 8 0.085 2.478 0.919 1.00 72.22 C ATOM 239 N2 DG A 8 1.273 2.125 0.431 1.00 61.03 N ATOM 240 N3 DG A 8 -0.673 3.360 0.245 1.00 54.32 N ATOM 241 C4 DG A 8 -1.837 3.571 0.922 1.00 63.25 C ATOM 0 H5' DG A 8 -5.182 8.859 -0.036 1.00 34.40 H new ATOM 0 H5'' DG A 8 -4.483 7.714 1.092 1.00 34.40 H new ATOM 0 H4' DG A 8 -3.843 7.930 -1.874 1.00 41.14 H new ATOM 0 H3' DG A 8 -5.521 5.998 -0.223 1.00 55.53 H new ATOM 0 H2' DG A 8 -4.626 4.078 -1.311 1.00 71.52 H new ATOM 0 H2'' DG A 8 -3.906 5.018 -2.603 1.00 71.52 H new ATOM 0 H1' DG A 8 -1.973 4.956 -1.209 1.00 0.13 H new ATOM 0 H8 DG A 8 -4.734 4.860 1.463 1.00 20.41 H new ATOM 0 H1 DG A 8 0.500 1.195 2.487 1.00 53.10 H new ATOM 0 H21 DG A 8 1.602 2.524 -0.448 1.00 61.03 H new ATOM 0 H22 DG A 8 1.854 1.456 0.937 1.00 61.03 H new ATOM 253 P DT A 9 -7.404 6.003 -2.049 1.00 75.20 P ATOM 254 OP1 DT A 9 -8.312 6.899 -2.800 1.00 64.34 O ATOM 255 OP2 DT A 9 -7.746 5.711 -0.639 1.00 23.43 O ATOM 256 O5' DT A 9 -7.319 4.612 -2.836 1.00 55.44 O ATOM 257 C5' DT A 9 -7.018 3.411 -2.129 1.00 55.21 C ATOM 258 C4' DT A 9 -6.000 2.599 -2.897 1.00 32.13 C ATOM 259 O4' DT A 9 -5.422 1.619 -2.067 1.00 41.24 O ATOM 260 C3' DT A 9 -6.600 1.645 -3.926 1.00 73.21 C ATOM 261 O3' DT A 9 -5.596 1.274 -4.868 1.00 11.43 O ATOM 262 C2' DT A 9 -7.083 0.461 -3.137 1.00 24.43 C ATOM 263 C1' DT A 9 -5.951 0.314 -2.124 1.00 11.42 C ATOM 264 N1 DT A 9 -6.405 -0.139 -0.794 1.00 40.32 N ATOM 265 C2 DT A 9 -5.665 -1.117 -0.203 1.00 64.24 C ATOM 266 O2 DT A 9 -4.675 -1.617 -0.712 1.00 32.34 O ATOM 267 N3 DT A 9 -6.088 -1.540 1.036 1.00 45.02 N ATOM 268 C4 DT A 9 -7.188 -1.031 1.679 1.00 33.13 C ATOM 269 O4 DT A 9 -7.473 -1.485 2.787 1.00 13.04 O ATOM 270 C5 DT A 9 -7.925 -0.013 1.019 1.00 73.11 C ATOM 271 C7 DT A 9 -9.146 0.584 1.678 1.00 22.34 C ATOM 272 C6 DT A 9 -7.499 0.383 -0.183 1.00 24.23 C ATOM 0 H5' DT A 9 -7.927 2.827 -1.985 1.00 55.21 H new ATOM 0 H5'' DT A 9 -6.632 3.650 -1.138 1.00 55.21 H new ATOM 0 H4' DT A 9 -5.354 3.371 -3.314 1.00 32.13 H new ATOM 0 H3' DT A 9 -7.417 2.091 -4.493 1.00 73.21 H new ATOM 0 H2' DT A 9 -8.045 0.647 -2.659 1.00 24.43 H new ATOM 0 H2'' DT A 9 -7.202 -0.428 -3.756 1.00 24.43 H new ATOM 0 H1' DT A 9 -5.232 -0.450 -2.420 1.00 11.42 H new ATOM 0 H3 DT A 9 -5.554 -2.273 1.503 1.00 45.02 H new ATOM 0 H71 DT A 9 -9.263 1.619 1.357 1.00 22.34 H new ATOM 0 H72 DT A 9 -10.029 0.013 1.392 1.00 22.34 H new ATOM 0 H73 DT A 9 -9.027 0.551 2.761 1.00 22.34 H new ATOM 0 H6 DT A 9 -8.052 1.157 -0.694 1.00 24.23 H new ATOM 285 P DG A 10 -5.178 2.284 -6.036 1.00 43.21 P ATOM 286 OP1 DG A 10 -5.857 3.584 -5.834 1.00 15.11 O ATOM 287 OP2 DG A 10 -5.342 1.625 -7.351 1.00 53.34 O ATOM 288 O5' DG A 10 -3.613 2.501 -5.783 1.00 45.40 O ATOM 289 C5' DG A 10 -3.165 3.577 -4.963 1.00 60.14 C ATOM 290 C4' DG A 10 -1.669 3.742 -5.094 1.00 24.11 C ATOM 291 O4' DG A 10 -0.962 3.221 -4.026 1.00 11.12 O ATOM 292 C3' DG A 10 -1.028 2.858 -6.161 1.00 11.41 C ATOM 293 O3' DG A 10 0.254 3.381 -6.504 1.00 75.54 O ATOM 294 C2' DG A 10 -0.916 1.496 -5.533 1.00 31.23 C ATOM 295 C1' DG A 10 -0.556 1.872 -4.101 1.00 62.43 C ATOM 296 N9 DG A 10 -1.246 1.050 -3.085 1.00 64.14 N ATOM 297 C8 DG A 10 -2.577 0.888 -2.928 1.00 42.24 C ATOM 298 N7 DG A 10 -2.879 0.080 -1.915 1.00 72.43 N ATOM 299 C5 DG A 10 -1.660 -0.282 -1.409 1.00 70.13 C ATOM 300 C6 DG A 10 -1.308 -1.122 -0.332 1.00 2.12 C ATOM 301 O6 DG A 10 -2.101 -1.719 0.397 1.00 20.43 O ATOM 302 N1 DG A 10 0.019 -1.287 -0.073 1.00 42.32 N ATOM 303 C2 DG A 10 0.913 -0.642 -0.856 1.00 50.24 C ATOM 304 N2 DG A 10 2.162 -0.904 -0.478 1.00 74.34 N ATOM 305 N3 DG A 10 0.692 0.176 -1.901 1.00 1.53 N ATOM 306 C4 DG A 10 -0.648 0.299 -2.107 1.00 72.11 C ATOM 0 H5' DG A 10 -3.428 3.385 -3.923 1.00 60.14 H new ATOM 0 H5'' DG A 10 -3.667 4.500 -5.254 1.00 60.14 H new ATOM 0 H4' DG A 10 -1.609 4.818 -5.256 1.00 24.11 H new ATOM 0 H3' DG A 10 -1.610 2.816 -7.082 1.00 11.41 H new ATOM 0 H2' DG A 10 -1.849 0.936 -5.591 1.00 31.23 H new ATOM 0 H2'' DG A 10 -0.147 0.885 -6.006 1.00 31.23 H new ATOM 0 H1' DG A 10 0.501 1.709 -3.889 1.00 62.43 H new ATOM 0 H8 DG A 10 -3.316 1.363 -3.556 1.00 42.24 H new ATOM 0 H1 DG A 10 0.331 -1.883 0.694 1.00 42.32 H new ATOM 0 H21 DG A 10 2.945 -0.485 -0.979 1.00 74.34 H new ATOM 0 H22 DG A 10 2.336 -1.524 0.313 1.00 74.34 H new ATOM 318 P DC A 11 0.869 3.105 -7.955 1.00 51.14 P ATOM 319 OP1 DC A 11 1.964 4.063 -8.223 1.00 5.01 O ATOM 320 OP2 DC A 11 -0.222 3.019 -8.952 1.00 62.02 O ATOM 321 O5' DC A 11 1.512 1.649 -7.801 1.00 21.43 O ATOM 322 C5' DC A 11 2.377 1.364 -6.704 1.00 64.42 C ATOM 323 C4' DC A 11 2.422 -0.126 -6.449 1.00 21.24 C ATOM 324 O4' DC A 11 1.448 -0.576 -5.509 1.00 64.41 O ATOM 325 C3' DC A 11 2.193 -0.984 -7.690 1.00 22.42 C ATOM 326 O3' DC A 11 3.360 -1.761 -7.951 1.00 34.53 O ATOM 327 C2' DC A 11 1.014 -1.854 -7.360 1.00 51.42 C ATOM 328 C1' DC A 11 1.117 -1.906 -5.838 1.00 64.35 C ATOM 329 N1 DC A 11 -0.137 -2.322 -5.175 1.00 11.22 N ATOM 330 C2 DC A 11 -0.063 -3.348 -4.235 1.00 61.13 C ATOM 331 O2 DC A 11 1.039 -3.857 -4.000 1.00 13.10 O ATOM 332 N3 DC A 11 -1.191 -3.744 -3.618 1.00 30.41 N ATOM 333 C4 DC A 11 -2.356 -3.190 -3.880 1.00 13.10 C ATOM 334 N4 DC A 11 -3.459 -3.595 -3.261 1.00 5.03 N ATOM 335 C5 DC A 11 -2.462 -2.125 -4.851 1.00 63.04 C ATOM 336 C6 DC A 11 -1.327 -1.740 -5.457 1.00 52.32 C ATOM 0 H5' DC A 11 2.028 1.883 -5.811 1.00 64.42 H new ATOM 0 H5'' DC A 11 3.380 1.735 -6.916 1.00 64.42 H new ATOM 0 H4' DC A 11 3.436 -0.252 -6.069 1.00 21.24 H new ATOM 0 H3' DC A 11 2.000 -0.392 -8.585 1.00 22.42 H new ATOM 0 H2' DC A 11 0.072 -1.420 -7.696 1.00 51.42 H new ATOM 0 H2'' DC A 11 1.089 -2.842 -7.814 1.00 51.42 H new ATOM 0 H1' DC A 11 1.842 -2.647 -5.502 1.00 64.35 H new ATOM 0 H41 DC A 11 -4.354 -3.156 -3.475 1.00 5.03 H new ATOM 0 H42 DC A 11 -3.411 -4.345 -2.572 1.00 5.03 H new ATOM 0 H5 DC A 11 -3.410 -1.660 -5.079 1.00 63.04 H new ATOM 0 H6 DC A 11 -1.364 -0.946 -6.188 1.00 52.32 H new ATOM 348 P DC A 12 3.991 -1.790 -9.423 1.00 14.31 P ATOM 349 OP1 DC A 12 5.292 -1.086 -9.420 1.00 23.44 O ATOM 350 OP2 DC A 12 2.977 -1.350 -10.407 1.00 22.03 O ATOM 351 O5' DC A 12 4.270 -3.347 -9.663 1.00 3.32 O ATOM 352 C5' DC A 12 5.321 -4.000 -8.954 1.00 43.30 C ATOM 353 C4' DC A 12 4.949 -5.441 -8.686 1.00 1.41 C ATOM 354 O4' DC A 12 3.746 -5.472 -7.948 1.00 3.10 O ATOM 355 C3' DC A 12 4.645 -6.257 -9.941 1.00 70.24 C ATOM 356 O3' DC A 12 5.358 -7.503 -9.880 1.00 31.15 O ATOM 357 C2' DC A 12 3.157 -6.471 -9.923 1.00 54.14 C ATOM 358 C1' DC A 12 2.890 -6.487 -8.421 1.00 55.04 C ATOM 359 N1 DC A 12 1.481 -6.203 -8.070 1.00 2.44 N ATOM 360 C2 DC A 12 0.899 -6.966 -7.060 1.00 52.30 C ATOM 361 O2 DC A 12 1.581 -7.838 -6.508 1.00 62.22 O ATOM 362 N3 DC A 12 -0.381 -6.727 -6.722 1.00 35.30 N ATOM 363 C4 DC A 12 -1.093 -5.794 -7.321 1.00 15.13 C ATOM 364 N4 DC A 12 -2.355 -5.573 -6.975 1.00 54.12 N ATOM 365 C5 DC A 12 -0.514 -4.989 -8.373 1.00 74.14 C ATOM 366 C6 DC A 12 0.764 -5.239 -8.696 1.00 11.43 C ATOM 0 H5' DC A 12 5.511 -3.484 -8.013 1.00 43.30 H new ATOM 0 H5'' DC A 12 6.243 -3.956 -9.533 1.00 43.30 H new ATOM 0 H4' DC A 12 5.813 -5.867 -8.175 1.00 1.41 H new ATOM 0 H3' DC A 12 4.954 -5.758 -10.860 1.00 70.24 H new ATOM 0 H2' DC A 12 2.618 -5.671 -10.430 1.00 54.14 H new ATOM 0 H2'' DC A 12 2.868 -7.405 -10.404 1.00 54.14 H new ATOM 0 HO3' DC A 12 5.164 -8.030 -10.683 1.00 31.15 H new ATOM 0 H1' DC A 12 3.071 -7.469 -7.983 1.00 55.04 H new ATOM 0 H41 DC A 12 -2.894 -4.847 -7.448 1.00 54.12 H new ATOM 0 H42 DC A 12 -2.786 -6.129 -6.236 1.00 54.12 H new ATOM 0 H5 DC A 12 -1.084 -4.222 -8.876 1.00 74.14 H new ATOM 0 H6 DC A 12 1.233 -4.657 -9.475 1.00 11.43 H new TER 379 DC A 12