USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=0 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 Set 1.1: A 4 DT C7 :methyl 150:sc= -0.358 (180deg=-0.358) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.716 (180deg=-0.716) USER MOD Set 2.1: A 8 DT C7 :methyl 150:sc= -1.03 (180deg=-1.03) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.153 (180deg=-0.153) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 P DT A 1 6.219 4.825 -8.089 1.00 0.00 P ATOM 2 OP1 DT A 1 6.509 5.498 -9.367 1.00 0.00 O ATOM 3 OP2 DT A 1 5.599 3.477 -8.074 1.00 0.00 O ATOM 4 O5' DT A 1 7.535 4.814 -7.172 1.00 0.00 O ATOM 5 C5' DT A 1 8.805 4.501 -7.694 1.00 0.00 C ATOM 6 C4' DT A 1 9.247 3.051 -7.472 1.00 0.00 C ATOM 7 O4' DT A 1 9.875 2.736 -8.711 1.00 0.00 O ATOM 8 C3' DT A 1 8.264 1.890 -7.293 1.00 0.00 C ATOM 9 O3' DT A 1 8.944 0.726 -6.843 1.00 0.00 O ATOM 10 C2' DT A 1 7.944 1.412 -8.717 1.00 0.00 C ATOM 11 C1' DT A 1 8.885 2.209 -9.607 1.00 0.00 C ATOM 12 N1 DT A 1 9.545 1.308 -10.578 1.00 0.00 N ATOM 13 C2 DT A 1 9.049 1.220 -11.870 1.00 0.00 C ATOM 14 O2 DT A 1 8.080 1.844 -12.280 1.00 0.00 O ATOM 15 N3 DT A 1 9.700 0.363 -12.720 1.00 0.00 N ATOM 16 C4 DT A 1 10.776 -0.428 -12.398 1.00 0.00 C ATOM 17 O4 DT A 1 11.261 -1.140 -13.269 1.00 0.00 O ATOM 18 C5 DT A 1 11.218 -0.325 -11.014 1.00 0.00 C ATOM 19 C7 DT A 1 12.385 -1.153 -10.493 1.00 0.00 C ATOM 20 C6 DT A 1 10.593 0.531 -10.171 1.00 0.00 C ATOM 0 H5' DT A 1 9.542 5.165 -7.243 1.00 0.00 H new ATOM 0 H5'' DT A 1 8.804 4.707 -8.764 1.00 0.00 H new ATOM 0 H4' DT A 1 9.768 3.086 -6.515 1.00 0.00 H new ATOM 0 H3' DT A 1 7.452 2.221 -6.645 1.00 0.00 H new ATOM 0 H2' DT A 1 8.111 0.340 -8.823 1.00 0.00 H new ATOM 0 H2'' DT A 1 6.901 1.599 -8.974 1.00 0.00 H new ATOM 0 H1' DT A 1 8.362 2.984 -10.167 1.00 0.00 H new ATOM 0 H3 DT A 1 9.354 0.308 -13.678 1.00 0.00 H new ATOM 0 H71 DT A 1 12.891 -0.608 -9.696 1.00 0.00 H new ATOM 0 H72 DT A 1 12.014 -2.102 -10.105 1.00 0.00 H new ATOM 0 H73 DT A 1 13.087 -1.343 -11.305 1.00 0.00 H new ATOM 0 H6 DT A 1 10.932 0.602 -9.148 1.00 0.00 H new ATOM 33 P DG A 2 9.645 0.609 -5.410 1.00 0.00 P ATOM 34 OP1 DG A 2 10.945 1.303 -5.434 1.00 0.00 O ATOM 35 OP2 DG A 2 9.607 -0.829 -5.042 1.00 0.00 O ATOM 36 O5' DG A 2 8.632 1.425 -4.453 1.00 0.00 O ATOM 37 C5' DG A 2 9.004 1.963 -3.195 1.00 0.00 C ATOM 38 C4' DG A 2 8.459 1.161 -2.007 1.00 0.00 C ATOM 39 O4' DG A 2 7.077 1.424 -1.971 1.00 0.00 O ATOM 40 C3' DG A 2 8.682 -0.344 -2.095 1.00 0.00 C ATOM 41 O3' DG A 2 9.021 -0.864 -0.830 1.00 0.00 O ATOM 42 C2' DG A 2 7.346 -0.852 -2.641 1.00 0.00 C ATOM 43 C1' DG A 2 6.360 0.267 -2.302 1.00 0.00 C ATOM 44 N9 DG A 2 5.436 0.558 -3.408 1.00 0.00 N ATOM 45 C8 DG A 2 5.667 0.673 -4.759 1.00 0.00 C ATOM 46 N7 DG A 2 4.604 1.003 -5.447 1.00 0.00 N ATOM 47 C5 DG A 2 3.609 1.130 -4.471 1.00 0.00 C ATOM 48 C6 DG A 2 2.244 1.535 -4.560 1.00 0.00 C ATOM 49 O6 DG A 2 1.650 1.919 -5.564 1.00 0.00 O ATOM 50 N1 DG A 2 1.588 1.520 -3.349 1.00 0.00 N ATOM 51 C2 DG A 2 2.189 1.208 -2.170 1.00 0.00 C ATOM 52 N2 DG A 2 1.465 1.262 -1.082 1.00 0.00 N ATOM 53 N3 DG A 2 3.467 0.885 -2.046 1.00 0.00 N ATOM 54 C4 DG A 2 4.117 0.861 -3.232 1.00 0.00 C ATOM 0 H5' DG A 2 8.645 2.990 -3.126 1.00 0.00 H new ATOM 0 H5'' DG A 2 10.091 2.000 -3.131 1.00 0.00 H new ATOM 0 H4' DG A 2 8.994 1.470 -1.109 1.00 0.00 H new ATOM 0 H3' DG A 2 9.512 -0.649 -2.733 1.00 0.00 H new ATOM 0 H2' DG A 2 7.395 -1.029 -3.715 1.00 0.00 H new ATOM 0 H2'' DG A 2 7.056 -1.794 -2.175 1.00 0.00 H new ATOM 0 H1' DG A 2 5.756 -0.067 -1.458 1.00 0.00 H new ATOM 0 H8 DG A 2 6.634 0.507 -5.209 1.00 0.00 H new ATOM 0 H1 DG A 2 0.596 1.756 -3.336 1.00 0.00 H new ATOM 0 H21 DG A 2 1.883 1.035 -0.180 1.00 0.00 H new ATOM 0 H22 DG A 2 0.483 1.532 -1.136 1.00 0.00 H new ATOM 66 P DC A 3 9.326 -2.417 -0.644 1.00 0.00 P ATOM 67 OP1 DC A 3 10.124 -2.646 0.582 1.00 0.00 O ATOM 68 OP2 DC A 3 9.778 -2.979 -1.938 1.00 0.00 O ATOM 69 O5' DC A 3 7.877 -2.988 -0.321 1.00 0.00 O ATOM 70 C5' DC A 3 7.109 -2.400 0.712 1.00 0.00 C ATOM 71 C4' DC A 3 5.677 -2.918 0.767 1.00 0.00 C ATOM 72 O4' DC A 3 5.016 -2.228 -0.267 1.00 0.00 O ATOM 73 C3' DC A 3 5.513 -4.421 0.457 1.00 0.00 C ATOM 74 O3' DC A 3 5.231 -5.330 1.505 1.00 0.00 O ATOM 75 C2' DC A 3 4.307 -4.423 -0.464 1.00 0.00 C ATOM 76 C1' DC A 3 3.877 -2.964 -0.580 1.00 0.00 C ATOM 77 N1 DC A 3 3.497 -2.604 -1.952 1.00 0.00 N ATOM 78 C2 DC A 3 2.270 -2.020 -2.170 1.00 0.00 C ATOM 79 O2 DC A 3 1.564 -1.701 -1.223 1.00 0.00 O ATOM 80 N3 DC A 3 1.842 -1.797 -3.440 1.00 0.00 N ATOM 81 C4 DC A 3 2.641 -2.127 -4.444 1.00 0.00 C ATOM 82 N4 DC A 3 2.193 -1.894 -5.654 1.00 0.00 N ATOM 83 C5 DC A 3 3.944 -2.670 -4.251 1.00 0.00 C ATOM 84 C6 DC A 3 4.331 -2.876 -2.984 1.00 0.00 C ATOM 0 H5' DC A 3 7.092 -1.319 0.573 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.594 -2.590 1.669 1.00 0.00 H new ATOM 0 H4' DC A 3 5.298 -2.768 1.778 1.00 0.00 H new ATOM 0 H3' DC A 3 6.476 -4.780 0.094 1.00 0.00 H new ATOM 0 H2' DC A 3 4.560 -4.836 -1.440 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.504 -5.037 -0.057 1.00 0.00 H new ATOM 0 H1' DC A 3 3.019 -2.778 0.066 1.00 0.00 H new ATOM 0 H41 DC A 3 2.767 -2.128 -6.464 1.00 0.00 H new ATOM 0 H42 DC A 3 1.271 -1.478 -5.785 1.00 0.00 H new ATOM 0 H5 DC A 3 4.589 -2.904 -5.085 1.00 0.00 H new ATOM 0 H6 DC A 3 5.319 -3.263 -2.784 1.00 0.00 H new ATOM 96 P DT A 4 6.265 -5.636 2.689 1.00 0.00 P ATOM 97 OP1 DT A 4 7.498 -4.834 2.538 1.00 0.00 O ATOM 98 OP2 DT A 4 6.410 -7.085 2.972 1.00 0.00 O ATOM 99 O5' DT A 4 5.437 -5.098 3.920 1.00 0.00 O ATOM 100 C5' DT A 4 5.769 -3.924 4.606 1.00 0.00 C ATOM 101 C4' DT A 4 5.058 -3.958 5.943 1.00 0.00 C ATOM 102 O4' DT A 4 3.740 -3.488 5.786 1.00 0.00 O ATOM 103 C3' DT A 4 5.045 -5.342 6.590 1.00 0.00 C ATOM 104 O3' DT A 4 5.897 -5.341 7.704 1.00 0.00 O ATOM 105 C2' DT A 4 3.576 -5.567 6.926 1.00 0.00 C ATOM 106 C1' DT A 4 2.825 -4.317 6.459 1.00 0.00 C ATOM 107 N1 DT A 4 1.733 -4.645 5.507 1.00 0.00 N ATOM 108 C2 DT A 4 0.515 -5.010 6.054 1.00 0.00 C ATOM 109 O2 DT A 4 0.322 -5.129 7.256 1.00 0.00 O ATOM 110 N3 DT A 4 -0.511 -5.262 5.179 1.00 0.00 N ATOM 111 C4 DT A 4 -0.452 -5.127 3.813 1.00 0.00 C ATOM 112 O4 DT A 4 -1.465 -5.341 3.156 1.00 0.00 O ATOM 113 C5 DT A 4 0.846 -4.731 3.295 1.00 0.00 C ATOM 114 C7 DT A 4 1.051 -4.501 1.806 1.00 0.00 C ATOM 115 C6 DT A 4 1.884 -4.521 4.141 1.00 0.00 C ATOM 0 H5' DT A 4 5.466 -3.047 4.033 1.00 0.00 H new ATOM 0 H5'' DT A 4 6.848 -3.855 4.748 1.00 0.00 H new ATOM 0 H4' DT A 4 5.619 -3.310 6.616 1.00 0.00 H new ATOM 0 H3' DT A 4 5.416 -6.150 5.960 1.00 0.00 H new ATOM 0 H2' DT A 4 3.196 -6.457 6.425 1.00 0.00 H new ATOM 0 H2'' DT A 4 3.443 -5.722 7.997 1.00 0.00 H new ATOM 0 H1' DT A 4 2.389 -3.836 7.334 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.395 -5.577 5.578 1.00 0.00 H new ATOM 0 H71 DT A 4 1.826 -3.750 1.657 1.00 0.00 H new ATOM 0 H72 DT A 4 1.355 -5.434 1.332 1.00 0.00 H new ATOM 0 H73 DT A 4 0.119 -4.154 1.360 1.00 0.00 H new ATOM 0 H6 DT A 4 2.849 -4.251 3.738 1.00 0.00 H new ATOM 128 P DC A 5 7.479 -5.561 7.518 1.00 0.00 P ATOM 129 OP1 DC A 5 8.087 -4.486 6.708 1.00 0.00 O ATOM 130 OP2 DC A 5 7.663 -6.951 7.027 1.00 0.00 O ATOM 131 O5' DC A 5 8.057 -5.346 9.000 1.00 0.00 O ATOM 132 C5' DC A 5 7.553 -4.309 9.847 1.00 0.00 C ATOM 133 C4' DC A 5 8.199 -2.902 9.750 1.00 0.00 C ATOM 134 O4' DC A 5 7.668 -2.205 10.868 1.00 0.00 O ATOM 135 C3' DC A 5 7.787 -1.955 8.603 1.00 0.00 C ATOM 136 O3' DC A 5 8.569 -0.774 8.596 1.00 0.00 O ATOM 137 C2' DC A 5 6.459 -1.369 9.039 1.00 0.00 C ATOM 138 C1' DC A 5 6.362 -1.758 10.519 1.00 0.00 C ATOM 139 N1 DC A 5 6.032 -0.595 11.376 1.00 0.00 N ATOM 140 C2 DC A 5 4.952 -0.683 12.246 1.00 0.00 C ATOM 141 O2 DC A 5 4.228 -1.672 12.261 1.00 0.00 O ATOM 142 N3 DC A 5 4.696 0.345 13.092 1.00 0.00 N ATOM 143 C4 DC A 5 5.475 1.406 13.084 1.00 0.00 C ATOM 144 N4 DC A 5 5.177 2.352 13.945 1.00 0.00 N ATOM 145 C5 DC A 5 6.591 1.541 12.217 1.00 0.00 C ATOM 146 C6 DC A 5 6.835 0.510 11.380 1.00 0.00 C ATOM 0 H5' DC A 5 7.647 -4.648 10.879 1.00 0.00 H new ATOM 0 H5'' DC A 5 6.488 -4.201 9.642 1.00 0.00 H new ATOM 0 H4' DC A 5 9.265 -3.101 9.643 1.00 0.00 H new ATOM 0 H3' DC A 5 7.839 -2.509 7.666 1.00 0.00 H new ATOM 0 H2' DC A 5 6.435 -0.287 8.906 1.00 0.00 H new ATOM 0 H2'' DC A 5 5.631 -1.779 8.461 1.00 0.00 H new ATOM 0 H1' DC A 5 5.581 -2.504 10.665 1.00 0.00 H new ATOM 0 H41 DC A 5 5.743 3.199 13.988 1.00 0.00 H new ATOM 0 H42 DC A 5 4.380 2.239 14.571 1.00 0.00 H new ATOM 0 H5 DC A 5 7.213 2.424 12.226 1.00 0.00 H new ATOM 0 H6 DC A 5 7.676 0.560 10.705 1.00 0.00 H new ATOM 158 P DG A 6 9.395 -0.397 7.296 1.00 0.00 P ATOM 159 OP1 DG A 6 10.415 -1.461 7.131 1.00 0.00 O ATOM 160 OP2 DG A 6 9.766 1.043 7.265 1.00 0.00 O ATOM 161 O5' DG A 6 8.299 -0.597 6.149 1.00 0.00 O ATOM 162 C5' DG A 6 8.618 -1.320 4.979 1.00 0.00 C ATOM 163 C4' DG A 6 8.072 -0.663 3.713 1.00 0.00 C ATOM 164 O4' DG A 6 6.727 -1.069 3.599 1.00 0.00 O ATOM 165 C3' DG A 6 8.154 0.859 3.792 1.00 0.00 C ATOM 166 O3' DG A 6 8.778 1.419 2.657 1.00 0.00 O ATOM 167 C2' DG A 6 6.701 1.263 4.021 1.00 0.00 C ATOM 168 C1' DG A 6 5.878 0.048 3.585 1.00 0.00 C ATOM 169 N9 DG A 6 4.765 -0.204 4.510 1.00 0.00 N ATOM 170 C8 DG A 6 4.744 -0.177 5.880 1.00 0.00 C ATOM 171 N7 DG A 6 3.570 -0.438 6.391 1.00 0.00 N ATOM 172 C5 DG A 6 2.774 -0.711 5.271 1.00 0.00 C ATOM 173 C6 DG A 6 1.409 -1.118 5.141 1.00 0.00 C ATOM 174 O6 DG A 6 0.587 -1.351 6.020 1.00 0.00 O ATOM 175 N1 DG A 6 1.007 -1.273 3.830 1.00 0.00 N ATOM 176 C2 DG A 6 1.821 -1.084 2.761 1.00 0.00 C ATOM 177 N2 DG A 6 1.294 -1.236 1.570 1.00 0.00 N ATOM 178 N3 DG A 6 3.097 -0.745 2.844 1.00 0.00 N ATOM 179 C4 DG A 6 3.508 -0.578 4.124 1.00 0.00 C ATOM 0 H5' DG A 6 8.218 -2.330 5.061 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.701 -1.412 4.898 1.00 0.00 H new ATOM 0 H4' DG A 6 8.660 -0.965 2.847 1.00 0.00 H new ATOM 0 H3' DG A 6 8.792 1.238 4.590 1.00 0.00 H new ATOM 0 H2' DG A 6 6.520 1.507 5.068 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.440 2.146 3.438 1.00 0.00 H new ATOM 0 H1' DG A 6 5.465 0.235 2.594 1.00 0.00 H new ATOM 0 H8 DG A 6 5.615 0.039 6.480 1.00 0.00 H new ATOM 0 H1 DG A 6 0.040 -1.546 3.654 1.00 0.00 H new ATOM 0 H21 DG A 6 1.868 -1.104 0.738 1.00 0.00 H new ATOM 0 H22 DG A 6 0.310 -1.486 1.476 1.00 0.00 H new ATOM 191 P DC A 7 8.982 3.000 2.562 1.00 0.00 P ATOM 192 OP1 DC A 7 9.968 3.353 1.512 1.00 0.00 O ATOM 193 OP2 DC A 7 9.146 3.504 3.954 1.00 0.00 O ATOM 194 O5' DC A 7 7.573 3.428 1.955 1.00 0.00 O ATOM 195 C5' DC A 7 7.120 2.781 0.774 1.00 0.00 C ATOM 196 C4' DC A 7 5.679 3.087 0.422 1.00 0.00 C ATOM 197 O4' DC A 7 4.907 2.419 1.384 1.00 0.00 O ATOM 198 C3' DC A 7 5.318 4.568 0.504 1.00 0.00 C ATOM 199 O3' DC A 7 5.146 5.135 -0.768 1.00 0.00 O ATOM 200 C2' DC A 7 3.967 4.535 1.187 1.00 0.00 C ATOM 201 C1' DC A 7 3.673 3.051 1.376 1.00 0.00 C ATOM 202 N1 DC A 7 3.074 2.799 2.688 1.00 0.00 N ATOM 203 C2 DC A 7 1.854 2.177 2.744 1.00 0.00 C ATOM 204 O2 DC A 7 1.321 1.789 1.714 1.00 0.00 O ATOM 205 N3 DC A 7 1.247 1.984 3.942 1.00 0.00 N ATOM 206 C4 DC A 7 1.865 2.396 5.038 1.00 0.00 C ATOM 207 N4 DC A 7 1.258 2.148 6.174 1.00 0.00 N ATOM 208 C5 DC A 7 3.136 3.037 5.018 1.00 0.00 C ATOM 209 C6 DC A 7 3.704 3.205 3.817 1.00 0.00 C ATOM 0 H5' DC A 7 7.233 1.704 0.895 1.00 0.00 H new ATOM 0 H5'' DC A 7 7.758 3.077 -0.059 1.00 0.00 H new ATOM 0 H4' DC A 7 5.505 2.778 -0.608 1.00 0.00 H new ATOM 0 H3' DC A 7 6.089 5.150 1.008 1.00 0.00 H new ATOM 0 H2' DC A 7 3.992 5.060 2.142 1.00 0.00 H new ATOM 0 H2'' DC A 7 3.202 5.017 0.578 1.00 0.00 H new ATOM 0 H1' DC A 7 2.996 2.704 0.595 1.00 0.00 H new ATOM 0 H41 DC A 7 1.683 2.440 7.054 1.00 0.00 H new ATOM 0 H42 DC A 7 0.361 1.663 6.177 1.00 0.00 H new ATOM 0 H5 DC A 7 3.618 3.371 5.925 1.00 0.00 H new ATOM 0 H6 DC A 7 4.676 3.670 3.747 1.00 0.00 H new ATOM 221 P DT A 8 6.356 5.845 -1.533 1.00 0.00 P ATOM 222 OP1 DT A 8 7.610 5.085 -1.294 1.00 0.00 O ATOM 223 OP2 DT A 8 6.319 7.280 -1.203 1.00 0.00 O ATOM 224 O5' DT A 8 5.892 5.644 -3.052 1.00 0.00 O ATOM 225 C5' DT A 8 6.112 4.441 -3.765 1.00 0.00 C ATOM 226 C4' DT A 8 5.328 4.468 -5.085 1.00 0.00 C ATOM 227 O4' DT A 8 3.968 4.108 -4.938 1.00 0.00 O ATOM 228 C3' DT A 8 5.363 5.829 -5.809 1.00 0.00 C ATOM 229 O3' DT A 8 5.247 5.745 -7.219 1.00 0.00 O ATOM 230 C2' DT A 8 4.050 6.433 -5.345 1.00 0.00 C ATOM 231 C1' DT A 8 3.169 5.191 -5.378 1.00 0.00 C ATOM 232 N1 DT A 8 1.977 5.294 -4.516 1.00 0.00 N ATOM 233 C2 DT A 8 0.784 5.661 -5.116 1.00 0.00 C ATOM 234 O2 DT A 8 0.684 5.976 -6.294 1.00 0.00 O ATOM 235 N3 DT A 8 -0.333 5.657 -4.324 1.00 0.00 N ATOM 236 C4 DT A 8 -0.371 5.298 -3.002 1.00 0.00 C ATOM 237 O4 DT A 8 -1.448 5.330 -2.418 1.00 0.00 O ATOM 238 C5 DT A 8 0.908 4.899 -2.436 1.00 0.00 C ATOM 239 C7 DT A 8 0.992 4.430 -0.998 1.00 0.00 C ATOM 240 C6 DT A 8 2.032 4.918 -3.196 1.00 0.00 C ATOM 0 H5' DT A 8 5.799 3.588 -3.163 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.176 4.316 -3.966 1.00 0.00 H new ATOM 0 H4' DT A 8 5.850 3.724 -5.687 1.00 0.00 H new ATOM 0 H3' DT A 8 6.296 6.352 -5.598 1.00 0.00 H new ATOM 0 H2' DT A 8 4.120 6.869 -4.349 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.692 7.217 -6.012 1.00 0.00 H new ATOM 0 H1' DT A 8 2.798 5.058 -6.394 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.211 5.946 -4.755 1.00 0.00 H new ATOM 0 H71 DT A 8 1.806 3.712 -0.896 1.00 0.00 H new ATOM 0 H72 DT A 8 1.178 5.284 -0.347 1.00 0.00 H new ATOM 0 H73 DT A 8 0.052 3.956 -0.714 1.00 0.00 H new ATOM 0 H6 DT A 8 2.978 4.635 -2.759 1.00 0.00 H new TER 253 DT A 8 ATOM 254 P DT B 1 -5.463 -5.291 -9.332 1.00 0.00 P ATOM 255 OP1 DT B 1 -6.242 -6.510 -9.024 1.00 0.00 O ATOM 256 OP2 DT B 1 -4.883 -5.325 -10.691 1.00 0.00 O ATOM 257 O5' DT B 1 -6.412 -4.023 -9.194 1.00 0.00 O ATOM 258 C5' DT B 1 -6.158 -2.830 -9.907 1.00 0.00 C ATOM 259 C4' DT B 1 -7.332 -1.851 -9.724 1.00 0.00 C ATOM 260 O4' DT B 1 -8.442 -2.355 -10.468 1.00 0.00 O ATOM 261 C3' DT B 1 -7.827 -1.659 -8.282 1.00 0.00 C ATOM 262 O3' DT B 1 -8.331 -0.346 -8.153 1.00 0.00 O ATOM 263 C2' DT B 1 -8.949 -2.677 -8.192 1.00 0.00 C ATOM 264 C1' DT B 1 -9.537 -2.565 -9.590 1.00 0.00 C ATOM 265 N1 DT B 1 -10.265 -3.810 -9.931 1.00 0.00 N ATOM 266 C2 DT B 1 -11.652 -3.777 -9.917 1.00 0.00 C ATOM 267 O2 DT B 1 -12.315 -2.768 -9.722 1.00 0.00 O ATOM 268 N3 DT B 1 -12.300 -4.964 -10.144 1.00 0.00 N ATOM 269 C4 DT B 1 -11.702 -6.178 -10.370 1.00 0.00 C ATOM 270 O4 DT B 1 -12.414 -7.157 -10.551 1.00 0.00 O ATOM 271 C5 DT B 1 -10.246 -6.151 -10.370 1.00 0.00 C ATOM 272 C7 DT B 1 -9.433 -7.422 -10.586 1.00 0.00 C ATOM 273 C6 DT B 1 -9.588 -4.985 -10.157 1.00 0.00 C ATOM 0 H5' DT B 1 -6.019 -3.051 -10.965 1.00 0.00 H new ATOM 0 H5'' DT B 1 -5.234 -2.374 -9.552 1.00 0.00 H new ATOM 0 H4' DT B 1 -6.955 -0.884 -10.058 1.00 0.00 H new ATOM 0 H3' DT B 1 -7.069 -1.790 -7.510 1.00 0.00 H new ATOM 0 H2' DT B 1 -8.582 -3.680 -7.976 1.00 0.00 H new ATOM 0 H2'' DT B 1 -9.673 -2.428 -7.416 1.00 0.00 H new ATOM 0 H1' DT B 1 -10.251 -1.745 -9.665 1.00 0.00 H new ATOM 0 H3 DT B 1 -13.320 -4.942 -10.145 1.00 0.00 H new ATOM 0 H71 DT B 1 -8.488 -7.172 -11.068 1.00 0.00 H new ATOM 0 H72 DT B 1 -9.236 -7.896 -9.624 1.00 0.00 H new ATOM 0 H73 DT B 1 -9.993 -8.109 -11.221 1.00 0.00 H new ATOM 0 H6 DT B 1 -8.508 -4.979 -10.165 1.00 0.00 H new ATOM 286 P DG B 2 -8.895 0.175 -6.755 1.00 0.00 P ATOM 287 OP1 DG B 2 -10.283 -0.284 -6.569 1.00 0.00 O ATOM 288 OP2 DG B 2 -8.598 1.624 -6.615 1.00 0.00 O ATOM 289 O5' DG B 2 -7.932 -0.610 -5.736 1.00 0.00 O ATOM 290 C5' DG B 2 -8.400 -1.447 -4.696 1.00 0.00 C ATOM 291 C4' DG B 2 -8.016 -0.836 -3.350 1.00 0.00 C ATOM 292 O4' DG B 2 -6.660 -1.180 -3.166 1.00 0.00 O ATOM 293 C3' DG B 2 -8.169 0.684 -3.350 1.00 0.00 C ATOM 294 O3' DG B 2 -8.724 1.129 -2.134 1.00 0.00 O ATOM 295 C2' DG B 2 -6.743 1.156 -3.644 1.00 0.00 C ATOM 296 C1' DG B 2 -5.852 -0.040 -3.296 1.00 0.00 C ATOM 297 N9 DG B 2 -4.763 -0.258 -4.273 1.00 0.00 N ATOM 298 C8 DG B 2 -4.765 -0.213 -5.650 1.00 0.00 C ATOM 299 N7 DG B 2 -3.584 -0.395 -6.179 1.00 0.00 N ATOM 300 C5 DG B 2 -2.749 -0.625 -5.080 1.00 0.00 C ATOM 301 C6 DG B 2 -1.355 -0.931 -4.984 1.00 0.00 C ATOM 302 O6 DG B 2 -0.529 -1.065 -5.881 1.00 0.00 O ATOM 303 N1 DG B 2 -0.919 -1.097 -3.686 1.00 0.00 N ATOM 304 C2 DG B 2 -1.722 -0.971 -2.600 1.00 0.00 C ATOM 305 N2 DG B 2 -1.167 -1.120 -1.424 1.00 0.00 N ATOM 306 N3 DG B 2 -3.016 -0.698 -2.651 1.00 0.00 N ATOM 307 C4 DG B 2 -3.472 -0.549 -3.920 1.00 0.00 C ATOM 0 H5' DG B 2 -7.969 -2.444 -4.793 1.00 0.00 H new ATOM 0 H5'' DG B 2 -9.482 -1.560 -4.763 1.00 0.00 H new ATOM 0 H4' DG B 2 -8.662 -1.208 -2.554 1.00 0.00 H new ATOM 0 H3' DG B 2 -8.866 1.089 -4.083 1.00 0.00 H new ATOM 0 H2' DG B 2 -6.629 1.442 -4.690 1.00 0.00 H new ATOM 0 H2'' DG B 2 -6.484 2.029 -3.045 1.00 0.00 H new ATOM 0 H1' DG B 2 -5.351 0.172 -2.351 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.656 -0.044 -6.236 1.00 0.00 H new ATOM 0 H1 DG B 2 0.063 -1.328 -3.534 1.00 0.00 H new ATOM 0 H21 DG B 2 -1.732 -1.034 -0.579 1.00 0.00 H new ATOM 0 H22 DG B 2 -0.170 -1.322 -1.353 1.00 0.00 H new ATOM 319 P DC B 3 -9.006 2.681 -1.886 1.00 0.00 P ATOM 320 OP1 DC B 3 -9.984 2.875 -0.791 1.00 0.00 O ATOM 321 OP2 DC B 3 -9.202 3.357 -3.193 1.00 0.00 O ATOM 322 O5' DC B 3 -7.608 3.124 -1.290 1.00 0.00 O ATOM 323 C5' DC B 3 -7.092 2.436 -0.170 1.00 0.00 C ATOM 324 C4' DC B 3 -5.653 2.819 0.108 1.00 0.00 C ATOM 325 O4' DC B 3 -4.868 2.225 -0.894 1.00 0.00 O ATOM 326 C3' DC B 3 -5.393 4.325 0.031 1.00 0.00 C ATOM 327 O3' DC B 3 -5.221 4.921 1.291 1.00 0.00 O ATOM 328 C2' DC B 3 -4.064 4.395 -0.684 1.00 0.00 C ATOM 329 C1' DC B 3 -3.673 2.939 -0.906 1.00 0.00 C ATOM 330 N1 DC B 3 -3.073 2.753 -2.229 1.00 0.00 N ATOM 331 C2 DC B 3 -1.804 2.235 -2.309 1.00 0.00 C ATOM 332 O2 DC B 3 -1.253 1.822 -1.300 1.00 0.00 O ATOM 333 N3 DC B 3 -1.167 2.189 -3.505 1.00 0.00 N ATOM 334 C4 DC B 3 -1.811 2.605 -4.585 1.00 0.00 C ATOM 335 N4 DC B 3 -1.149 2.547 -5.716 1.00 0.00 N ATOM 336 C5 DC B 3 -3.144 3.103 -4.546 1.00 0.00 C ATOM 337 C6 DC B 3 -3.735 3.148 -3.344 1.00 0.00 C ATOM 0 H5' DC B 3 -7.156 1.362 -0.342 1.00 0.00 H new ATOM 0 H5'' DC B 3 -7.703 2.656 0.706 1.00 0.00 H new ATOM 0 H4' DC B 3 -5.417 2.489 1.120 1.00 0.00 H new ATOM 0 H3' DC B 3 -6.228 4.840 -0.445 1.00 0.00 H new ATOM 0 H2' DC B 3 -4.149 4.932 -1.629 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.319 4.919 -0.086 1.00 0.00 H new ATOM 0 H1' DC B 3 -2.959 2.619 -0.147 1.00 0.00 H new ATOM 0 H41 DC B 3 -1.592 2.853 -6.582 1.00 0.00 H new ATOM 0 H42 DC B 3 -0.192 2.196 -5.729 1.00 0.00 H new ATOM 0 H5 DC B 3 -3.654 3.428 -5.441 1.00 0.00 H new ATOM 0 H6 DC B 3 -4.752 3.503 -3.263 1.00 0.00 H new ATOM 349 P DT B 4 -6.437 5.621 2.041 1.00 0.00 P ATOM 350 OP1 DT B 4 -7.721 5.055 1.565 1.00 0.00 O ATOM 351 OP2 DT B 4 -6.210 7.083 1.967 1.00 0.00 O ATOM 352 O5' DT B 4 -6.202 5.158 3.542 1.00 0.00 O ATOM 353 C5' DT B 4 -6.585 3.871 3.979 1.00 0.00 C ATOM 354 C4' DT B 4 -6.116 3.637 5.409 1.00 0.00 C ATOM 355 O4' DT B 4 -4.769 3.203 5.346 1.00 0.00 O ATOM 356 C3' DT B 4 -6.190 4.882 6.297 1.00 0.00 C ATOM 357 O3' DT B 4 -6.776 4.667 7.567 1.00 0.00 O ATOM 358 C2' DT B 4 -4.740 5.328 6.369 1.00 0.00 C ATOM 359 C1' DT B 4 -3.966 4.029 6.150 1.00 0.00 C ATOM 360 N1 DT B 4 -2.673 4.286 5.482 1.00 0.00 N ATOM 361 C2 DT B 4 -1.580 4.522 6.297 1.00 0.00 C ATOM 362 O2 DT B 4 -1.654 4.533 7.528 1.00 0.00 O ATOM 363 N3 DT B 4 -0.387 4.782 5.671 1.00 0.00 N ATOM 364 C4 DT B 4 -0.190 4.814 4.312 1.00 0.00 C ATOM 365 O4 DT B 4 0.928 5.084 3.890 1.00 0.00 O ATOM 366 C5 DT B 4 -1.367 4.523 3.511 1.00 0.00 C ATOM 367 C7 DT B 4 -1.266 4.449 1.995 1.00 0.00 C ATOM 368 C6 DT B 4 -2.558 4.282 4.111 1.00 0.00 C ATOM 0 H5' DT B 4 -6.158 3.114 3.321 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.669 3.768 3.923 1.00 0.00 H new ATOM 0 H4' DT B 4 -6.780 2.899 5.860 1.00 0.00 H new ATOM 0 H3' DT B 4 -6.855 5.641 5.885 1.00 0.00 H new ATOM 0 H2' DT B 4 -4.508 6.069 5.604 1.00 0.00 H new ATOM 0 H2'' DT B 4 -4.505 5.780 7.333 1.00 0.00 H new ATOM 0 H1' DT B 4 -3.745 3.555 7.107 1.00 0.00 H new ATOM 0 H3 DT B 4 0.421 4.967 6.265 1.00 0.00 H new ATOM 0 H71 DT B 4 -2.009 3.748 1.615 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.447 5.436 1.570 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.269 4.110 1.713 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.429 4.084 3.504 1.00 0.00 H new ATOM 381 P DC B 5 -6.258 3.606 8.654 1.00 0.00 P ATOM 382 OP1 DC B 5 -5.066 4.175 9.333 1.00 0.00 O ATOM 383 OP2 DC B 5 -6.134 2.271 8.040 1.00 0.00 O ATOM 384 O5' DC B 5 -7.488 3.543 9.673 1.00 0.00 O ATOM 385 C5' DC B 5 -8.837 3.488 9.225 1.00 0.00 C ATOM 386 C4' DC B 5 -9.354 2.113 8.736 1.00 0.00 C ATOM 387 O4' DC B 5 -10.576 1.837 9.403 1.00 0.00 O ATOM 388 C3' DC B 5 -9.793 2.113 7.257 1.00 0.00 C ATOM 389 O3' DC B 5 -10.144 0.827 6.770 1.00 0.00 O ATOM 390 C2' DC B 5 -11.113 2.874 7.353 1.00 0.00 C ATOM 391 C1' DC B 5 -11.578 2.636 8.795 1.00 0.00 C ATOM 392 N1 DC B 5 -12.898 1.969 8.878 1.00 0.00 N ATOM 393 C2 DC B 5 -13.897 2.549 9.650 1.00 0.00 C ATOM 394 O2 DC B 5 -13.706 3.604 10.244 1.00 0.00 O ATOM 395 N3 DC B 5 -15.104 1.942 9.741 1.00 0.00 N ATOM 396 C4 DC B 5 -15.314 0.809 9.105 1.00 0.00 C ATOM 397 N4 DC B 5 -16.510 0.282 9.232 1.00 0.00 N ATOM 398 C5 DC B 5 -14.323 0.172 8.311 1.00 0.00 C ATOM 399 C6 DC B 5 -13.125 0.789 8.231 1.00 0.00 C ATOM 0 H5' DC B 5 -8.954 4.204 8.412 1.00 0.00 H new ATOM 0 H5'' DC B 5 -9.479 3.823 10.039 1.00 0.00 H new ATOM 0 H4' DC B 5 -8.536 1.414 8.910 1.00 0.00 H new ATOM 0 H3' DC B 5 -9.005 2.501 6.611 1.00 0.00 H new ATOM 0 H2' DC B 5 -10.977 3.936 7.148 1.00 0.00 H new ATOM 0 H2'' DC B 5 -11.841 2.501 6.633 1.00 0.00 H new ATOM 0 H1' DC B 5 -11.710 3.592 9.302 1.00 0.00 H new ATOM 0 H41 DC B 5 -16.733 -0.596 8.763 1.00 0.00 H new ATOM 0 H42 DC B 5 -17.216 0.750 9.800 1.00 0.00 H new ATOM 0 H5 DC B 5 -14.518 -0.758 7.798 1.00 0.00 H new ATOM 0 H6 DC B 5 -12.334 0.342 7.646 1.00 0.00 H new ATOM 411 P DG B 6 -9.065 -0.207 6.213 1.00 0.00 P ATOM 412 OP1 DG B 6 -9.745 -1.397 5.633 1.00 0.00 O ATOM 413 OP2 DG B 6 -8.004 -0.408 7.230 1.00 0.00 O ATOM 414 O5' DG B 6 -8.400 0.607 5.005 1.00 0.00 O ATOM 415 C5' DG B 6 -9.128 1.051 3.873 1.00 0.00 C ATOM 416 C4' DG B 6 -8.479 0.536 2.577 1.00 0.00 C ATOM 417 O4' DG B 6 -7.132 0.973 2.578 1.00 0.00 O ATOM 418 C3' DG B 6 -8.519 -0.985 2.520 1.00 0.00 C ATOM 419 O3' DG B 6 -8.973 -1.470 1.274 1.00 0.00 O ATOM 420 C2' DG B 6 -7.098 -1.387 2.898 1.00 0.00 C ATOM 421 C1' DG B 6 -6.257 -0.128 2.666 1.00 0.00 C ATOM 422 N9 DG B 6 -5.273 0.071 3.743 1.00 0.00 N ATOM 423 C8 DG B 6 -5.423 -0.109 5.086 1.00 0.00 C ATOM 424 N7 DG B 6 -4.367 0.138 5.810 1.00 0.00 N ATOM 425 C5 DG B 6 -3.427 0.523 4.843 1.00 0.00 C ATOM 426 C6 DG B 6 -2.070 0.953 4.956 1.00 0.00 C ATOM 427 O6 DG B 6 -1.421 1.187 5.972 1.00 0.00 O ATOM 428 N1 DG B 6 -1.460 1.155 3.739 1.00 0.00 N ATOM 429 C2 DG B 6 -2.091 1.023 2.542 1.00 0.00 C ATOM 430 N2 DG B 6 -1.382 1.218 1.460 1.00 0.00 N ATOM 431 N3 DG B 6 -3.366 0.701 2.401 1.00 0.00 N ATOM 432 C4 DG B 6 -3.974 0.462 3.585 1.00 0.00 C ATOM 0 H5' DG B 6 -9.163 2.140 3.861 1.00 0.00 H new ATOM 0 H5'' DG B 6 -10.158 0.699 3.935 1.00 0.00 H new ATOM 0 H4' DG B 6 -9.020 0.918 1.711 1.00 0.00 H new ATOM 0 H3' DG B 6 -9.245 -1.431 3.200 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.043 -1.713 3.937 1.00 0.00 H new ATOM 0 H2'' DG B 6 -6.746 -2.216 2.284 1.00 0.00 H new ATOM 0 H1' DG B 6 -5.691 -0.235 1.741 1.00 0.00 H new ATOM 0 H8 DG B 6 -6.356 -0.435 5.522 1.00 0.00 H new ATOM 0 H1 DG B 6 -0.475 1.420 3.735 1.00 0.00 H new ATOM 0 H21 DG B 6 -1.817 1.129 0.542 1.00 0.00 H new ATOM 0 H22 DG B 6 -0.394 1.459 1.534 1.00 0.00 H new ATOM 444 P DC B 7 -9.103 -3.045 1.030 1.00 0.00 P ATOM 445 OP1 DC B 7 -9.955 -3.337 -0.147 1.00 0.00 O ATOM 446 OP2 DC B 7 -9.384 -3.677 2.347 1.00 0.00 O ATOM 447 O5' DC B 7 -7.626 -3.394 0.559 1.00 0.00 O ATOM 448 C5' DC B 7 -7.051 -2.661 -0.512 1.00 0.00 C ATOM 449 C4' DC B 7 -5.570 -2.942 -0.678 1.00 0.00 C ATOM 450 O4' DC B 7 -4.947 -2.335 0.424 1.00 0.00 O ATOM 451 C3' DC B 7 -5.220 -4.428 -0.618 1.00 0.00 C ATOM 452 O3' DC B 7 -4.874 -4.949 -1.871 1.00 0.00 O ATOM 453 C2' DC B 7 -3.976 -4.442 0.240 1.00 0.00 C ATOM 454 C1' DC B 7 -3.721 -2.972 0.562 1.00 0.00 C ATOM 455 N1 DC B 7 -3.321 -2.812 1.962 1.00 0.00 N ATOM 456 C2 DC B 7 -2.115 -2.215 2.241 1.00 0.00 C ATOM 457 O2 DC B 7 -1.437 -1.761 1.329 1.00 0.00 O ATOM 458 N3 DC B 7 -1.687 -2.127 3.524 1.00 0.00 N ATOM 459 C4 DC B 7 -2.444 -2.636 4.485 1.00 0.00 C ATOM 460 N4 DC B 7 -2.004 -2.507 5.713 1.00 0.00 N ATOM 461 C5 DC B 7 -3.694 -3.269 4.230 1.00 0.00 C ATOM 462 C6 DC B 7 -4.097 -3.316 2.954 1.00 0.00 C ATOM 0 H5' DC B 7 -7.198 -1.595 -0.339 1.00 0.00 H new ATOM 0 H5'' DC B 7 -7.571 -2.908 -1.438 1.00 0.00 H new ATOM 0 H4' DC B 7 -5.253 -2.571 -1.653 1.00 0.00 H new ATOM 0 H3' DC B 7 -6.060 -5.019 -0.252 1.00 0.00 H new ATOM 0 H2' DC B 7 -4.125 -5.027 1.147 1.00 0.00 H new ATOM 0 H2'' DC B 7 -3.133 -4.885 -0.290 1.00 0.00 H new ATOM 0 H1' DC B 7 -2.940 -2.575 -0.087 1.00 0.00 H new ATOM 0 H41 DC B 7 -2.547 -2.881 6.491 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.118 -2.033 5.890 1.00 0.00 H new ATOM 0 H5 DC B 7 -4.288 -3.691 5.027 1.00 0.00 H new ATOM 0 H6 DC B 7 -5.051 -3.760 2.712 1.00 0.00 H new ATOM 474 P DT B 8 -5.945 -5.705 -2.769 1.00 0.00 P ATOM 475 OP1 DT B 8 -7.279 -5.074 -2.611 1.00 0.00 O ATOM 476 OP2 DT B 8 -5.784 -7.153 -2.492 1.00 0.00 O ATOM 477 O5' DT B 8 -5.360 -5.403 -4.218 1.00 0.00 O ATOM 478 C5' DT B 8 -5.590 -4.167 -4.862 1.00 0.00 C ATOM 479 C4' DT B 8 -4.714 -4.042 -6.116 1.00 0.00 C ATOM 480 O4' DT B 8 -3.437 -3.573 -5.729 1.00 0.00 O ATOM 481 C3' DT B 8 -4.506 -5.356 -6.892 1.00 0.00 C ATOM 482 O3' DT B 8 -4.290 -5.140 -8.271 1.00 0.00 O ATOM 483 C2' DT B 8 -3.152 -5.802 -6.380 1.00 0.00 C ATOM 484 C1' DT B 8 -2.459 -4.450 -6.239 1.00 0.00 C ATOM 485 N1 DT B 8 -1.326 -4.535 -5.300 1.00 0.00 N ATOM 486 C2 DT B 8 -0.081 -4.831 -5.827 1.00 0.00 C ATOM 487 O2 DT B 8 0.132 -5.000 -7.020 1.00 0.00 O ATOM 488 N3 DT B 8 0.949 -4.967 -4.935 1.00 0.00 N ATOM 489 C4 DT B 8 0.849 -4.831 -3.574 1.00 0.00 C ATOM 490 O4 DT B 8 1.856 -4.993 -2.894 1.00 0.00 O ATOM 491 C5 DT B 8 -0.480 -4.501 -3.085 1.00 0.00 C ATOM 492 C7 DT B 8 -0.716 -4.295 -1.600 1.00 0.00 C ATOM 493 C6 DT B 8 -1.517 -4.371 -3.951 1.00 0.00 C ATOM 0 H5' DT B 8 -5.373 -3.348 -4.177 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.642 -4.083 -5.136 1.00 0.00 H new ATOM 0 H4' DT B 8 -5.243 -3.359 -6.781 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.360 -6.022 -6.766 1.00 0.00 H new ATOM 0 H2' DT B 8 -3.221 -6.335 -5.432 1.00 0.00 H new ATOM 0 H2'' DT B 8 -2.639 -6.461 -7.080 1.00 0.00 H new ATOM 0 H1' DT B 8 -2.059 -4.111 -7.195 1.00 0.00 H new ATOM 0 H3 DT B 8 1.869 -5.188 -5.315 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.528 -3.582 -1.456 1.00 0.00 H new ATOM 0 H72 DT B 8 -0.982 -5.246 -1.139 1.00 0.00 H new ATOM 0 H73 DT B 8 0.192 -3.909 -1.137 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.502 -4.136 -3.575 1.00 0.00 H new TER 506 DT B 8