USER MOD reduce.3.24.130724 H: found=0, std=0, add=180, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 180 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 -30:sc= -2.84! (180deg=-5.28!) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.632 (180deg=-0.195) USER MOD Set 2.1: A 8 DT C7 :methyl -30:sc= -3.01! (180deg=-4.43!) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.55 (180deg=-0.517) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 6.003 3.103 -9.916 1.00 0.00 P ATOM 2 OP1 DC A 1 6.607 4.442 -9.737 1.00 0.00 O ATOM 3 OP2 DC A 1 5.291 2.781 -11.173 1.00 0.00 O ATOM 4 O5' DC A 1 7.154 1.998 -9.680 1.00 0.00 O ATOM 5 C5' DC A 1 7.074 0.692 -10.224 1.00 0.00 C ATOM 6 C4' DC A 1 8.362 -0.078 -9.907 1.00 0.00 C ATOM 7 O4' DC A 1 9.473 0.709 -10.301 1.00 0.00 O ATOM 8 C3' DC A 1 8.509 -0.392 -8.414 1.00 0.00 C ATOM 9 O3' DC A 1 8.780 -1.771 -8.207 1.00 0.00 O ATOM 10 C2' DC A 1 9.728 0.397 -7.969 1.00 0.00 C ATOM 11 C1' DC A 1 10.451 0.696 -9.280 1.00 0.00 C ATOM 12 N1 DC A 1 11.099 2.031 -9.215 1.00 0.00 N ATOM 13 C2 DC A 1 12.482 2.139 -9.363 1.00 0.00 C ATOM 14 O2 DC A 1 13.180 1.147 -9.559 1.00 0.00 O ATOM 15 N3 DC A 1 13.050 3.375 -9.282 1.00 0.00 N ATOM 16 C4 DC A 1 12.302 4.465 -9.066 1.00 0.00 C ATOM 17 N4 DC A 1 12.914 5.647 -8.984 1.00 0.00 N ATOM 18 C5 DC A 1 10.880 4.381 -8.911 1.00 0.00 C ATOM 19 C6 DC A 1 10.329 3.147 -8.995 1.00 0.00 C ATOM 0 H5' DC A 1 6.926 0.745 -11.303 1.00 0.00 H new ATOM 0 H5'' DC A 1 6.213 0.167 -9.810 1.00 0.00 H new ATOM 0 H4' DC A 1 8.318 -1.022 -10.449 1.00 0.00 H new ATOM 0 H3' DC A 1 7.598 -0.142 -7.871 1.00 0.00 H new ATOM 0 H2' DC A 1 9.447 1.312 -7.447 1.00 0.00 H new ATOM 0 H2'' DC A 1 10.353 -0.179 -7.287 1.00 0.00 H new ATOM 0 H1' DC A 1 11.219 -0.054 -9.470 1.00 0.00 H new ATOM 0 H41 DC A 1 12.369 6.493 -8.820 1.00 0.00 H new ATOM 0 H42 DC A 1 13.927 5.705 -9.085 1.00 0.00 H new ATOM 0 H5 DC A 1 10.277 5.260 -8.736 1.00 0.00 H new ATOM 0 H6 DC A 1 9.260 3.038 -8.887 1.00 0.00 H new ATOM 31 P DC A 2 7.653 -2.800 -7.676 1.00 0.00 P ATOM 32 OP1 DC A 2 8.017 -4.153 -8.149 1.00 0.00 O ATOM 33 OP2 DC A 2 6.325 -2.241 -8.011 1.00 0.00 O ATOM 34 O5' DC A 2 7.825 -2.780 -6.062 1.00 0.00 O ATOM 35 C5' DC A 2 8.334 -1.642 -5.391 1.00 0.00 C ATOM 36 C4' DC A 2 8.035 -1.564 -3.886 1.00 0.00 C ATOM 37 O4' DC A 2 6.972 -0.702 -3.541 1.00 0.00 O ATOM 38 C3' DC A 2 7.844 -2.859 -3.101 1.00 0.00 C ATOM 39 O3' DC A 2 8.490 -2.655 -1.852 1.00 0.00 O ATOM 40 C2' DC A 2 6.329 -2.912 -2.991 1.00 0.00 C ATOM 41 C1' DC A 2 5.926 -1.441 -2.946 1.00 0.00 C ATOM 42 N1 DC A 2 4.744 -1.211 -3.785 1.00 0.00 N ATOM 43 C2 DC A 2 3.619 -0.637 -3.228 1.00 0.00 C ATOM 44 O2 DC A 2 3.545 -0.485 -2.017 1.00 0.00 O ATOM 45 N3 DC A 2 2.608 -0.245 -4.049 1.00 0.00 N ATOM 46 C4 DC A 2 2.684 -0.464 -5.367 1.00 0.00 C ATOM 47 N4 DC A 2 1.721 0.042 -6.138 1.00 0.00 N ATOM 48 C5 DC A 2 3.833 -1.091 -5.960 1.00 0.00 C ATOM 49 C6 DC A 2 4.845 -1.416 -5.124 1.00 0.00 C ATOM 0 H5' DC A 2 7.929 -0.750 -5.869 1.00 0.00 H new ATOM 0 H5'' DC A 2 9.415 -1.615 -5.529 1.00 0.00 H new ATOM 0 H4' DC A 2 8.998 -1.158 -3.575 1.00 0.00 H new ATOM 0 H3' DC A 2 8.246 -3.781 -3.522 1.00 0.00 H new ATOM 0 H2' DC A 2 5.882 -3.425 -3.842 1.00 0.00 H new ATOM 0 H2'' DC A 2 6.010 -3.444 -2.095 1.00 0.00 H new ATOM 0 H1' DC A 2 5.725 -1.154 -1.914 1.00 0.00 H new ATOM 0 H41 DC A 2 1.746 -0.105 -7.147 1.00 0.00 H new ATOM 0 H42 DC A 2 0.960 0.576 -5.719 1.00 0.00 H new ATOM 0 H5 DC A 2 3.886 -1.292 -7.020 1.00 0.00 H new ATOM 0 H6 DC A 2 5.749 -1.846 -5.528 1.00 0.00 H new ATOM 61 P DG A 3 8.596 -3.776 -0.701 1.00 0.00 P ATOM 62 OP1 DG A 3 9.632 -3.321 0.254 1.00 0.00 O ATOM 63 OP2 DG A 3 8.712 -5.104 -1.343 1.00 0.00 O ATOM 64 O5' DG A 3 7.168 -3.680 0.036 1.00 0.00 O ATOM 65 C5' DG A 3 6.820 -2.555 0.820 1.00 0.00 C ATOM 66 C4' DG A 3 5.338 -2.599 1.204 1.00 0.00 C ATOM 67 O4' DG A 3 4.618 -2.487 0.002 1.00 0.00 O ATOM 68 C3' DG A 3 4.912 -3.926 1.834 1.00 0.00 C ATOM 69 O3' DG A 3 4.697 -3.805 3.223 1.00 0.00 O ATOM 70 C2' DG A 3 3.538 -4.132 1.215 1.00 0.00 C ATOM 71 C1' DG A 3 3.329 -2.963 0.266 1.00 0.00 C ATOM 72 N9 DG A 3 2.728 -3.366 -1.017 1.00 0.00 N ATOM 73 C8 DG A 3 3.289 -4.186 -1.953 1.00 0.00 C ATOM 74 N7 DG A 3 2.712 -4.138 -3.121 1.00 0.00 N ATOM 75 C5 DG A 3 1.644 -3.263 -2.924 1.00 0.00 C ATOM 76 C6 DG A 3 0.640 -2.800 -3.831 1.00 0.00 C ATOM 77 O6 DG A 3 0.561 -3.010 -5.036 1.00 0.00 O ATOM 78 N1 DG A 3 -0.334 -2.027 -3.205 1.00 0.00 N ATOM 79 C2 DG A 3 -0.303 -1.680 -1.875 1.00 0.00 C ATOM 80 N2 DG A 3 -1.359 -1.003 -1.430 1.00 0.00 N ATOM 81 N3 DG A 3 0.674 -2.048 -1.037 1.00 0.00 N ATOM 82 C4 DG A 3 1.610 -2.841 -1.618 1.00 0.00 C ATOM 0 H5' DG A 3 7.030 -1.640 0.265 1.00 0.00 H new ATOM 0 H5'' DG A 3 7.433 -2.530 1.721 1.00 0.00 H new ATOM 0 H4' DG A 3 5.153 -1.806 1.929 1.00 0.00 H new ATOM 0 H3' DG A 3 5.655 -4.708 1.676 1.00 0.00 H new ATOM 0 H2' DG A 3 3.488 -5.081 0.682 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.764 -4.156 1.982 1.00 0.00 H new ATOM 0 H1' DG A 3 2.655 -2.235 0.717 1.00 0.00 H new ATOM 0 H8 DG A 3 4.138 -4.820 -1.744 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.119 -1.698 -3.767 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.404 -0.713 -0.453 1.00 0.00 H new ATOM 0 H22 DG A 3 -2.123 -0.775 -2.066 1.00 0.00 H new ATOM 94 P DT A 4 5.765 -4.371 4.281 1.00 0.00 P ATOM 95 OP1 DT A 4 6.946 -3.479 4.297 1.00 0.00 O ATOM 96 OP2 DT A 4 5.932 -5.821 4.042 1.00 0.00 O ATOM 97 O5' DT A 4 4.940 -4.179 5.643 1.00 0.00 O ATOM 98 C5' DT A 4 4.795 -2.907 6.236 1.00 0.00 C ATOM 99 C4' DT A 4 3.563 -2.878 7.139 1.00 0.00 C ATOM 100 O4' DT A 4 2.400 -2.927 6.329 1.00 0.00 O ATOM 101 C3' DT A 4 3.508 -4.076 8.090 1.00 0.00 C ATOM 102 O3' DT A 4 3.062 -3.636 9.360 1.00 0.00 O ATOM 103 C2' DT A 4 2.430 -4.944 7.458 1.00 0.00 C ATOM 104 C1' DT A 4 1.517 -3.867 6.900 1.00 0.00 C ATOM 105 N1 DT A 4 0.570 -4.437 5.918 1.00 0.00 N ATOM 106 C2 DT A 4 -0.708 -4.779 6.354 1.00 0.00 C ATOM 107 O2 DT A 4 -1.074 -4.670 7.521 1.00 0.00 O ATOM 108 N3 DT A 4 -1.574 -5.262 5.388 1.00 0.00 N ATOM 109 C4 DT A 4 -1.271 -5.442 4.048 1.00 0.00 C ATOM 110 O4 DT A 4 -2.144 -5.834 3.277 1.00 0.00 O ATOM 111 C5 DT A 4 0.105 -5.134 3.692 1.00 0.00 C ATOM 112 C7 DT A 4 0.545 -5.298 2.250 1.00 0.00 C ATOM 113 C6 DT A 4 0.970 -4.649 4.624 1.00 0.00 C ATOM 0 H5' DT A 4 4.704 -2.146 5.461 1.00 0.00 H new ATOM 0 H5'' DT A 4 5.685 -2.666 6.817 1.00 0.00 H new ATOM 0 H4' DT A 4 3.617 -1.964 7.730 1.00 0.00 H new ATOM 0 H3' DT A 4 4.464 -4.582 8.225 1.00 0.00 H new ATOM 0 H2' DT A 4 2.825 -5.599 6.681 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.927 -5.580 8.186 1.00 0.00 H new ATOM 0 H1' DT A 4 0.884 -3.405 7.657 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.517 -5.507 5.689 1.00 0.00 H new ATOM 0 H71 DT A 4 -0.035 -6.093 1.781 1.00 0.00 H new ATOM 0 H72 DT A 4 0.383 -4.364 1.712 1.00 0.00 H new ATOM 0 H73 DT A 4 1.604 -5.555 2.220 1.00 0.00 H new ATOM 0 H6 DT A 4 1.988 -4.428 4.340 1.00 0.00 H new ATOM 126 P DC A 5 3.836 -4.034 10.713 1.00 0.00 P ATOM 127 OP1 DC A 5 4.242 -5.455 10.614 1.00 0.00 O ATOM 128 OP2 DC A 5 3.020 -3.584 11.862 1.00 0.00 O ATOM 129 O5' DC A 5 5.168 -3.128 10.639 1.00 0.00 O ATOM 130 C5' DC A 5 5.212 -1.802 11.136 1.00 0.00 C ATOM 131 C4' DC A 5 6.650 -1.271 11.051 1.00 0.00 C ATOM 132 O4' DC A 5 7.517 -2.202 11.678 1.00 0.00 O ATOM 133 C3' DC A 5 7.127 -1.081 9.606 1.00 0.00 C ATOM 134 O3' DC A 5 7.696 0.207 9.427 1.00 0.00 O ATOM 135 C2' DC A 5 8.226 -2.110 9.420 1.00 0.00 C ATOM 136 C1' DC A 5 8.638 -2.445 10.853 1.00 0.00 C ATOM 137 N1 DC A 5 9.015 -3.878 10.965 1.00 0.00 N ATOM 138 C2 DC A 5 10.286 -4.225 11.428 1.00 0.00 C ATOM 139 O2 DC A 5 11.109 -3.366 11.737 1.00 0.00 O ATOM 140 N3 DC A 5 10.601 -5.546 11.530 1.00 0.00 N ATOM 141 C4 DC A 5 9.716 -6.495 11.199 1.00 0.00 C ATOM 142 N4 DC A 5 10.081 -7.773 11.313 1.00 0.00 N ATOM 143 C5 DC A 5 8.405 -6.163 10.721 1.00 0.00 C ATOM 144 C6 DC A 5 8.104 -4.849 10.626 1.00 0.00 C ATOM 0 H5' DC A 5 4.864 -1.778 12.169 1.00 0.00 H new ATOM 0 H5'' DC A 5 4.543 -1.164 10.559 1.00 0.00 H new ATOM 0 H4' DC A 5 6.666 -0.299 11.543 1.00 0.00 H new ATOM 0 H3' DC A 5 6.301 -1.188 8.903 1.00 0.00 H new ATOM 0 H2' DC A 5 7.867 -2.991 8.888 1.00 0.00 H new ATOM 0 H2'' DC A 5 9.060 -1.708 8.845 1.00 0.00 H new ATOM 0 H1' DC A 5 9.494 -1.838 11.148 1.00 0.00 H new ATOM 0 H41 DC A 5 9.425 -8.515 11.067 1.00 0.00 H new ATOM 0 H42 DC A 5 11.016 -8.009 11.646 1.00 0.00 H new ATOM 0 H5 DC A 5 7.692 -6.927 10.450 1.00 0.00 H new ATOM 0 H6 DC A 5 7.125 -4.556 10.276 1.00 0.00 H new ATOM 156 P DC A 6 6.864 1.428 8.778 1.00 0.00 P ATOM 157 OP1 DC A 6 7.413 2.692 9.316 1.00 0.00 O ATOM 158 OP2 DC A 6 5.422 1.134 8.926 1.00 0.00 O ATOM 159 O5' DC A 6 7.243 1.355 7.203 1.00 0.00 O ATOM 160 C5' DC A 6 7.559 0.123 6.580 1.00 0.00 C ATOM 161 C4' DC A 6 7.492 0.124 5.046 1.00 0.00 C ATOM 162 O4' DC A 6 6.352 -0.513 4.506 1.00 0.00 O ATOM 163 C3' DC A 6 7.663 1.445 4.301 1.00 0.00 C ATOM 164 O3' DC A 6 8.436 1.140 3.149 1.00 0.00 O ATOM 165 C2' DC A 6 6.218 1.791 3.987 1.00 0.00 C ATOM 166 C1' DC A 6 5.548 0.429 3.827 1.00 0.00 C ATOM 167 N1 DC A 6 4.244 0.411 4.500 1.00 0.00 N ATOM 168 C2 DC A 6 3.115 0.059 3.785 1.00 0.00 C ATOM 169 O2 DC A 6 3.167 -0.054 2.568 1.00 0.00 O ATOM 170 N3 DC A 6 1.956 -0.161 4.459 1.00 0.00 N ATOM 171 C4 DC A 6 1.898 0.019 5.783 1.00 0.00 C ATOM 172 N4 DC A 6 0.774 -0.322 6.412 1.00 0.00 N ATOM 173 C5 DC A 6 3.053 0.424 6.538 1.00 0.00 C ATOM 174 C6 DC A 6 4.204 0.575 5.848 1.00 0.00 C ATOM 0 H5' DC A 6 6.877 -0.640 6.956 1.00 0.00 H new ATOM 0 H5'' DC A 6 8.564 -0.170 6.883 1.00 0.00 H new ATOM 0 H4' DC A 6 8.399 -0.453 4.867 1.00 0.00 H new ATOM 0 H3' DC A 6 8.164 2.267 4.812 1.00 0.00 H new ATOM 0 H2' DC A 6 5.761 2.370 4.789 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.137 2.387 3.078 1.00 0.00 H new ATOM 0 H1' DC A 6 5.426 0.212 2.766 1.00 0.00 H new ATOM 0 H41 DC A 6 0.697 -0.198 7.421 1.00 0.00 H new ATOM 0 H42 DC A 6 -0.009 -0.707 5.884 1.00 0.00 H new ATOM 0 H5 DC A 6 3.002 0.599 7.603 1.00 0.00 H new ATOM 0 H6 DC A 6 5.110 0.831 6.378 1.00 0.00 H new ATOM 186 P DG A 7 8.928 2.242 2.082 1.00 0.00 P ATOM 187 OP1 DG A 7 10.016 1.623 1.290 1.00 0.00 O ATOM 188 OP2 DG A 7 9.160 3.519 2.791 1.00 0.00 O ATOM 189 O5' DG A 7 7.648 2.408 1.122 1.00 0.00 O ATOM 190 C5' DG A 7 7.243 1.365 0.256 1.00 0.00 C ATOM 191 C4' DG A 7 5.883 1.683 -0.368 1.00 0.00 C ATOM 192 O4' DG A 7 4.966 1.724 0.696 1.00 0.00 O ATOM 193 C3' DG A 7 5.835 3.063 -1.031 1.00 0.00 C ATOM 194 O3' DG A 7 5.794 2.963 -2.437 1.00 0.00 O ATOM 195 C2' DG A 7 4.473 3.580 -0.602 1.00 0.00 C ATOM 196 C1' DG A 7 3.873 2.480 0.260 1.00 0.00 C ATOM 197 N9 DG A 7 3.191 2.994 1.458 1.00 0.00 N ATOM 198 C8 DG A 7 3.769 3.684 2.483 1.00 0.00 C ATOM 199 N7 DG A 7 3.054 3.725 3.573 1.00 0.00 N ATOM 200 C5 DG A 7 1.882 3.056 3.221 1.00 0.00 C ATOM 201 C6 DG A 7 0.715 2.752 3.988 1.00 0.00 C ATOM 202 O6 DG A 7 0.524 2.952 5.182 1.00 0.00 O ATOM 203 N1 DG A 7 -0.287 2.155 3.227 1.00 0.00 N ATOM 204 C2 DG A 7 -0.151 1.825 1.900 1.00 0.00 C ATOM 205 N2 DG A 7 -1.238 1.335 1.310 1.00 0.00 N ATOM 206 N3 DG A 7 0.965 2.042 1.193 1.00 0.00 N ATOM 207 C4 DG A 7 1.937 2.663 1.906 1.00 0.00 C ATOM 0 H5' DG A 7 7.186 0.427 0.809 1.00 0.00 H new ATOM 0 H5'' DG A 7 7.986 1.227 -0.529 1.00 0.00 H new ATOM 0 H4' DG A 7 5.670 0.932 -1.129 1.00 0.00 H new ATOM 0 H3' DG A 7 6.697 3.672 -0.759 1.00 0.00 H new ATOM 0 H2' DG A 7 4.565 4.511 -0.042 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.843 3.789 -1.466 1.00 0.00 H new ATOM 0 H1' DG A 7 3.134 1.928 -0.320 1.00 0.00 H new ATOM 0 H8 DG A 7 4.737 4.156 2.399 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.176 1.950 3.683 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.208 1.069 0.326 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.101 1.225 1.842 1.00 0.00 H new ATOM 219 P DT A 8 7.107 3.214 -3.325 1.00 0.00 P ATOM 220 OP1 DT A 8 8.044 2.086 -3.135 1.00 0.00 O ATOM 221 OP2 DT A 8 7.561 4.605 -3.102 1.00 0.00 O ATOM 222 O5' DT A 8 6.460 3.123 -4.788 1.00 0.00 O ATOM 223 C5' DT A 8 6.105 1.879 -5.352 1.00 0.00 C ATOM 224 C4' DT A 8 5.020 2.064 -6.412 1.00 0.00 C ATOM 225 O4' DT A 8 3.792 2.358 -5.766 1.00 0.00 O ATOM 226 C3' DT A 8 5.326 3.224 -7.364 1.00 0.00 C ATOM 227 O3' DT A 8 5.002 2.832 -8.687 1.00 0.00 O ATOM 228 C2' DT A 8 4.349 4.293 -6.898 1.00 0.00 C ATOM 229 C1' DT A 8 3.184 3.418 -6.470 1.00 0.00 C ATOM 230 N1 DT A 8 2.225 4.184 -5.648 1.00 0.00 N ATOM 231 C2 DT A 8 1.106 4.725 -6.278 1.00 0.00 C ATOM 232 O2 DT A 8 0.910 4.647 -7.488 1.00 0.00 O ATOM 233 N3 DT A 8 0.200 5.375 -5.460 1.00 0.00 N ATOM 234 C4 DT A 8 0.318 5.535 -4.090 1.00 0.00 C ATOM 235 O4 DT A 8 -0.578 6.103 -3.470 1.00 0.00 O ATOM 236 C5 DT A 8 1.544 4.995 -3.518 1.00 0.00 C ATOM 237 C7 DT A 8 1.755 5.091 -2.018 1.00 0.00 C ATOM 238 C6 DT A 8 2.450 4.352 -4.307 1.00 0.00 C ATOM 0 H5' DT A 8 5.749 1.207 -4.571 1.00 0.00 H new ATOM 0 H5'' DT A 8 6.983 1.411 -5.799 1.00 0.00 H new ATOM 0 H4' DT A 8 4.972 1.141 -6.989 1.00 0.00 H new ATOM 0 H3' DT A 8 6.367 3.546 -7.359 1.00 0.00 H new ATOM 0 H2' DT A 8 4.745 4.890 -6.077 1.00 0.00 H new ATOM 0 H2'' DT A 8 4.079 4.986 -7.695 1.00 0.00 H new ATOM 0 H1' DT A 8 2.591 3.047 -7.306 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.628 5.771 -5.905 1.00 0.00 H new ATOM 0 H71 DT A 8 1.248 5.977 -1.635 1.00 0.00 H new ATOM 0 H72 DT A 8 1.347 4.203 -1.536 1.00 0.00 H new ATOM 0 H73 DT A 8 2.821 5.162 -1.804 1.00 0.00 H new ATOM 0 H6 DT A 8 3.360 3.969 -3.868 1.00 0.00 H new TER 251 DT A 8 ATOM 252 P DC B 1 -4.461 -4.705 -9.556 1.00 0.00 P ATOM 253 OP1 DC B 1 -5.571 -5.679 -9.626 1.00 0.00 O ATOM 254 OP2 DC B 1 -3.514 -4.598 -10.689 1.00 0.00 O ATOM 255 O5' DC B 1 -5.076 -3.234 -9.277 1.00 0.00 O ATOM 256 C5' DC B 1 -5.630 -2.443 -10.317 1.00 0.00 C ATOM 257 C4' DC B 1 -7.161 -2.347 -10.243 1.00 0.00 C ATOM 258 O4' DC B 1 -7.728 -3.641 -10.316 1.00 0.00 O ATOM 259 C3' DC B 1 -7.670 -1.711 -8.942 1.00 0.00 C ATOM 260 O3' DC B 1 -8.398 -0.523 -9.195 1.00 0.00 O ATOM 261 C2' DC B 1 -8.679 -2.712 -8.398 1.00 0.00 C ATOM 262 C1' DC B 1 -8.939 -3.629 -9.591 1.00 0.00 C ATOM 263 N1 DC B 1 -9.267 -5.003 -9.135 1.00 0.00 N ATOM 264 C2 DC B 1 -10.466 -5.599 -9.526 1.00 0.00 C ATOM 265 O2 DC B 1 -11.265 -5.011 -10.251 1.00 0.00 O ATOM 266 N3 DC B 1 -10.738 -6.860 -9.082 1.00 0.00 N ATOM 267 C4 DC B 1 -9.877 -7.512 -8.292 1.00 0.00 C ATOM 268 N4 DC B 1 -10.199 -8.741 -7.882 1.00 0.00 N ATOM 269 C5 DC B 1 -8.638 -6.920 -7.879 1.00 0.00 C ATOM 270 C6 DC B 1 -8.382 -5.671 -8.331 1.00 0.00 C ATOM 0 H5' DC B 1 -5.343 -2.865 -11.280 1.00 0.00 H new ATOM 0 H5'' DC B 1 -5.205 -1.440 -10.270 1.00 0.00 H new ATOM 0 H4' DC B 1 -7.457 -1.716 -11.081 1.00 0.00 H new ATOM 0 H3' DC B 1 -6.834 -1.481 -8.281 1.00 0.00 H new ATOM 0 H2' DC B 1 -8.280 -3.263 -7.546 1.00 0.00 H new ATOM 0 H2'' DC B 1 -9.592 -2.221 -8.061 1.00 0.00 H new ATOM 0 H1' DC B 1 -9.780 -3.281 -10.190 1.00 0.00 H new ATOM 0 H41 DC B 1 -9.561 -9.261 -7.279 1.00 0.00 H new ATOM 0 H42 DC B 1 -11.083 -9.160 -8.172 1.00 0.00 H new ATOM 0 H5 DC B 1 -7.944 -7.445 -7.239 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.457 -5.189 -8.051 1.00 0.00 H new ATOM 282 P DC B 2 -7.730 0.939 -9.085 1.00 0.00 P ATOM 283 OP1 DC B 2 -8.767 1.940 -9.420 1.00 0.00 O ATOM 284 OP2 DC B 2 -6.453 0.927 -9.832 1.00 0.00 O ATOM 285 O5' DC B 2 -7.394 1.075 -7.513 1.00 0.00 O ATOM 286 C5' DC B 2 -8.308 0.654 -6.522 1.00 0.00 C ATOM 287 C4' DC B 2 -7.803 0.829 -5.083 1.00 0.00 C ATOM 288 O4' DC B 2 -6.706 0.046 -4.671 1.00 0.00 O ATOM 289 C3' DC B 2 -7.627 2.255 -4.565 1.00 0.00 C ATOM 290 O3' DC B 2 -8.398 2.329 -3.375 1.00 0.00 O ATOM 291 C2' DC B 2 -6.128 2.322 -4.338 1.00 0.00 C ATOM 292 C1' DC B 2 -5.761 0.878 -4.023 1.00 0.00 C ATOM 293 N1 DC B 2 -4.480 0.562 -4.652 1.00 0.00 N ATOM 294 C2 DC B 2 -3.409 0.186 -3.867 1.00 0.00 C ATOM 295 O2 DC B 2 -3.451 0.337 -2.653 1.00 0.00 O ATOM 296 N3 DC B 2 -2.325 -0.358 -4.474 1.00 0.00 N ATOM 297 C4 DC B 2 -2.275 -0.464 -5.807 1.00 0.00 C ATOM 298 N4 DC B 2 -1.246 -1.126 -6.330 1.00 0.00 N ATOM 299 C5 DC B 2 -3.357 -0.014 -6.643 1.00 0.00 C ATOM 300 C6 DC B 2 -4.444 0.474 -6.007 1.00 0.00 C ATOM 0 H5' DC B 2 -8.546 -0.397 -6.686 1.00 0.00 H new ATOM 0 H5'' DC B 2 -9.236 1.213 -6.639 1.00 0.00 H new ATOM 0 H4' DC B 2 -8.689 0.414 -4.603 1.00 0.00 H new ATOM 0 H3' DC B 2 -7.951 3.078 -5.202 1.00 0.00 H new ATOM 0 H2' DC B 2 -5.603 2.688 -5.220 1.00 0.00 H new ATOM 0 H2'' DC B 2 -5.874 2.991 -3.516 1.00 0.00 H new ATOM 0 H1' DC B 2 -5.729 0.735 -2.943 1.00 0.00 H new ATOM 0 H41 DC B 2 -1.168 -1.231 -7.342 1.00 0.00 H new ATOM 0 H42 DC B 2 -0.535 -1.528 -5.719 1.00 0.00 H new ATOM 0 H5 DC B 2 -3.303 -0.064 -7.720 1.00 0.00 H new ATOM 0 H6 DC B 2 -5.297 0.799 -6.584 1.00 0.00 H new ATOM 312 P DG B 3 -8.529 3.648 -2.467 1.00 0.00 P ATOM 313 OP1 DG B 3 -9.686 3.444 -1.563 1.00 0.00 O ATOM 314 OP2 DG B 3 -8.472 4.837 -3.344 1.00 0.00 O ATOM 315 O5' DG B 3 -7.192 3.595 -1.576 1.00 0.00 O ATOM 316 C5' DG B 3 -6.973 2.555 -0.642 1.00 0.00 C ATOM 317 C4' DG B 3 -5.590 2.696 -0.003 1.00 0.00 C ATOM 318 O4' DG B 3 -4.642 2.488 -1.010 1.00 0.00 O ATOM 319 C3' DG B 3 -5.354 4.102 0.540 1.00 0.00 C ATOM 320 O3' DG B 3 -5.387 4.070 1.948 1.00 0.00 O ATOM 321 C2' DG B 3 -3.931 4.396 0.112 1.00 0.00 C ATOM 322 C1' DG B 3 -3.466 3.135 -0.607 1.00 0.00 C ATOM 323 N9 DG B 3 -2.735 3.388 -1.859 1.00 0.00 N ATOM 324 C8 DG B 3 -3.261 3.919 -3.002 1.00 0.00 C ATOM 325 N7 DG B 3 -2.587 3.640 -4.084 1.00 0.00 N ATOM 326 C5 DG B 3 -1.503 2.900 -3.615 1.00 0.00 C ATOM 327 C6 DG B 3 -0.442 2.246 -4.317 1.00 0.00 C ATOM 328 O6 DG B 3 -0.280 2.141 -5.529 1.00 0.00 O ATOM 329 N1 DG B 3 0.482 1.660 -3.457 1.00 0.00 N ATOM 330 C2 DG B 3 0.349 1.635 -2.093 1.00 0.00 C ATOM 331 N2 DG B 3 1.338 1.041 -1.441 1.00 0.00 N ATOM 332 N3 DG B 3 -0.679 2.170 -1.429 1.00 0.00 N ATOM 333 C4 DG B 3 -1.563 2.795 -2.245 1.00 0.00 C ATOM 0 H5' DG B 3 -7.054 1.588 -1.139 1.00 0.00 H new ATOM 0 H5'' DG B 3 -7.742 2.583 0.130 1.00 0.00 H new ATOM 0 H4' DG B 3 -5.515 1.982 0.817 1.00 0.00 H new ATOM 0 H3' DG B 3 -6.090 4.827 0.191 1.00 0.00 H new ATOM 0 H2' DG B 3 -3.888 5.264 -0.546 1.00 0.00 H new ATOM 0 H2'' DG B 3 -3.298 4.616 0.972 1.00 0.00 H new ATOM 0 H1' DG B 3 -2.809 2.589 0.070 1.00 0.00 H new ATOM 0 H8 DG B 3 -4.159 4.519 -3.010 1.00 0.00 H new ATOM 0 H1 DG B 3 1.308 1.223 -3.866 1.00 0.00 H new ATOM 0 H21 DG B 3 1.314 0.981 -0.423 1.00 0.00 H new ATOM 0 H22 DG B 3 2.123 0.644 -1.957 1.00 0.00 H new ATOM 345 P DT B 4 -6.314 5.083 2.781 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.617 4.436 3.052 1.00 0.00 O ATOM 347 OP2 DT B 4 -6.260 6.418 2.144 1.00 0.00 O ATOM 348 O5' DT B 4 -5.463 5.146 4.132 1.00 0.00 O ATOM 349 C5' DT B 4 -5.359 4.028 4.985 1.00 0.00 C ATOM 350 C4' DT B 4 -4.167 4.222 5.919 1.00 0.00 C ATOM 351 O4' DT B 4 -2.965 4.105 5.173 1.00 0.00 O ATOM 352 C3' DT B 4 -4.177 5.617 6.553 1.00 0.00 C ATOM 353 O3' DT B 4 -3.877 5.500 7.932 1.00 0.00 O ATOM 354 C2' DT B 4 -3.046 6.317 5.821 1.00 0.00 C ATOM 355 C1' DT B 4 -2.112 5.149 5.589 1.00 0.00 C ATOM 356 N1 DT B 4 -1.086 5.526 4.596 1.00 0.00 N ATOM 357 C2 DT B 4 0.118 6.032 5.078 1.00 0.00 C ATOM 358 O2 DT B 4 0.334 6.241 6.268 1.00 0.00 O ATOM 359 N3 DT B 4 1.089 6.302 4.133 1.00 0.00 N ATOM 360 C4 DT B 4 0.964 6.105 2.769 1.00 0.00 C ATOM 361 O4 DT B 4 1.915 6.365 2.037 1.00 0.00 O ATOM 362 C5 DT B 4 -0.334 5.599 2.339 1.00 0.00 C ATOM 363 C7 DT B 4 -0.489 5.215 0.874 1.00 0.00 C ATOM 364 C6 DT B 4 -1.319 5.353 3.253 1.00 0.00 C ATOM 0 H5' DT B 4 -5.233 3.118 4.399 1.00 0.00 H new ATOM 0 H5'' DT B 4 -6.275 3.910 5.564 1.00 0.00 H new ATOM 0 H4' DT B 4 -4.231 3.465 6.701 1.00 0.00 H new ATOM 0 H3' DT B 4 -5.129 6.143 6.476 1.00 0.00 H new ATOM 0 H2' DT B 4 -3.376 6.777 4.889 1.00 0.00 H new ATOM 0 H2'' DT B 4 -2.587 7.104 6.420 1.00 0.00 H new ATOM 0 H1' DT B 4 -1.544 4.840 6.466 1.00 0.00 H new ATOM 0 H3 DT B 4 1.975 6.679 4.470 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.222 4.413 0.784 1.00 0.00 H new ATOM 0 H72 DT B 4 -0.827 6.081 0.305 1.00 0.00 H new ATOM 0 H73 DT B 4 0.470 4.876 0.483 1.00 0.00 H new ATOM 0 H6 DT B 4 -2.290 5.020 2.917 1.00 0.00 H new ATOM 377 P DC B 5 -4.809 6.179 9.054 1.00 0.00 P ATOM 378 OP1 DC B 5 -5.078 7.575 8.641 1.00 0.00 O ATOM 379 OP2 DC B 5 -4.207 5.909 10.378 1.00 0.00 O ATOM 380 O5' DC B 5 -6.192 5.351 8.935 1.00 0.00 O ATOM 381 C5' DC B 5 -6.500 4.249 9.771 1.00 0.00 C ATOM 382 C4' DC B 5 -7.969 3.848 9.569 1.00 0.00 C ATOM 383 O4' DC B 5 -8.774 5.007 9.708 1.00 0.00 O ATOM 384 C3' DC B 5 -8.242 3.244 8.186 1.00 0.00 C ATOM 385 O3' DC B 5 -8.915 1.998 8.293 1.00 0.00 O ATOM 386 C2' DC B 5 -9.180 4.229 7.508 1.00 0.00 C ATOM 387 C1' DC B 5 -9.731 5.055 8.669 1.00 0.00 C ATOM 388 N1 DC B 5 -9.924 6.469 8.252 1.00 0.00 N ATOM 389 C2 DC B 5 -11.197 7.040 8.310 1.00 0.00 C ATOM 390 O2 DC B 5 -12.167 6.395 8.702 1.00 0.00 O ATOM 391 N3 DC B 5 -11.346 8.337 7.918 1.00 0.00 N ATOM 392 C4 DC B 5 -10.300 9.052 7.486 1.00 0.00 C ATOM 393 N4 DC B 5 -10.507 10.314 7.107 1.00 0.00 N ATOM 394 C5 DC B 5 -8.984 8.488 7.416 1.00 0.00 C ATOM 395 C6 DC B 5 -8.849 7.202 7.811 1.00 0.00 C ATOM 0 H5' DC B 5 -6.323 4.510 10.814 1.00 0.00 H new ATOM 0 H5'' DC B 5 -5.847 3.408 9.538 1.00 0.00 H new ATOM 0 H4' DC B 5 -8.203 3.088 10.315 1.00 0.00 H new ATOM 0 H3' DC B 5 -7.311 3.076 7.645 1.00 0.00 H new ATOM 0 H2' DC B 5 -8.653 4.853 6.786 1.00 0.00 H new ATOM 0 H2'' DC B 5 -9.976 3.718 6.966 1.00 0.00 H new ATOM 0 H1' DC B 5 -10.693 4.656 8.992 1.00 0.00 H new ATOM 0 H41 DC B 5 -9.727 10.881 6.774 1.00 0.00 H new ATOM 0 H42 DC B 5 -11.445 10.712 7.150 1.00 0.00 H new ATOM 0 H5 DC B 5 -8.140 9.063 7.064 1.00 0.00 H new ATOM 0 H6 DC B 5 -7.873 6.740 7.779 1.00 0.00 H new ATOM 407 P DC B 6 -8.159 0.585 8.073 1.00 0.00 P ATOM 408 OP1 DC B 6 -8.902 -0.447 8.829 1.00 0.00 O ATOM 409 OP2 DC B 6 -6.719 0.790 8.341 1.00 0.00 O ATOM 410 O5' DC B 6 -8.342 0.261 6.492 1.00 0.00 O ATOM 411 C5' DC B 6 -8.586 1.291 5.551 1.00 0.00 C ATOM 412 C4' DC B 6 -8.281 0.948 4.086 1.00 0.00 C ATOM 413 O4' DC B 6 -7.037 1.431 3.622 1.00 0.00 O ATOM 414 C3' DC B 6 -8.430 -0.490 3.588 1.00 0.00 C ATOM 415 O3' DC B 6 -9.041 -0.394 2.310 1.00 0.00 O ATOM 416 C2' DC B 6 -6.980 -0.938 3.531 1.00 0.00 C ATOM 417 C1' DC B 6 -6.226 0.350 3.215 1.00 0.00 C ATOM 418 N1 DC B 6 -5.010 0.426 4.029 1.00 0.00 N ATOM 419 C2 DC B 6 -3.784 0.554 3.408 1.00 0.00 C ATOM 420 O2 DC B 6 -3.686 0.390 2.198 1.00 0.00 O ATOM 421 N3 DC B 6 -2.704 0.872 4.165 1.00 0.00 N ATOM 422 C4 DC B 6 -2.817 0.990 5.494 1.00 0.00 C ATOM 423 N4 DC B 6 -1.766 1.448 6.168 1.00 0.00 N ATOM 424 C5 DC B 6 -4.073 0.793 6.162 1.00 0.00 C ATOM 425 C6 DC B 6 -5.141 0.542 5.376 1.00 0.00 C ATOM 0 H5' DC B 6 -7.992 2.161 5.831 1.00 0.00 H new ATOM 0 H5'' DC B 6 -9.633 1.583 5.625 1.00 0.00 H new ATOM 0 H4' DC B 6 -9.123 1.489 3.654 1.00 0.00 H new ATOM 0 H3' DC B 6 -9.032 -1.180 4.180 1.00 0.00 H new ATOM 0 H2' DC B 6 -6.656 -1.372 4.477 1.00 0.00 H new ATOM 0 H2'' DC B 6 -6.823 -1.695 2.762 1.00 0.00 H new ATOM 0 H1' DC B 6 -5.984 0.377 2.152 1.00 0.00 H new ATOM 0 H41 DC B 6 -1.816 1.551 7.182 1.00 0.00 H new ATOM 0 H42 DC B 6 -0.910 1.696 5.671 1.00 0.00 H new ATOM 0 H5 DC B 6 -4.158 0.843 7.237 1.00 0.00 H new ATOM 0 H6 DC B 6 -6.117 0.431 5.826 1.00 0.00 H new ATOM 437 P DG B 7 -9.375 -1.661 1.373 1.00 0.00 P ATOM 438 OP1 DG B 7 -10.329 -1.198 0.339 1.00 0.00 O ATOM 439 OP2 DG B 7 -9.719 -2.812 2.236 1.00 0.00 O ATOM 440 O5' DG B 7 -7.968 -1.958 0.650 1.00 0.00 O ATOM 441 C5' DG B 7 -7.395 -1.020 -0.240 1.00 0.00 C ATOM 442 C4' DG B 7 -5.999 -1.463 -0.688 1.00 0.00 C ATOM 443 O4' DG B 7 -5.168 -1.458 0.438 1.00 0.00 O ATOM 444 C3' DG B 7 -5.982 -2.889 -1.234 1.00 0.00 C ATOM 445 O3' DG B 7 -5.806 -2.843 -2.632 1.00 0.00 O ATOM 446 C2' DG B 7 -4.740 -3.489 -0.612 1.00 0.00 C ATOM 447 C1' DG B 7 -4.116 -2.349 0.181 1.00 0.00 C ATOM 448 N9 DG B 7 -3.633 -2.742 1.516 1.00 0.00 N ATOM 449 C8 DG B 7 -4.406 -3.139 2.573 1.00 0.00 C ATOM 450 N7 DG B 7 -3.827 -3.006 3.736 1.00 0.00 N ATOM 451 C5 DG B 7 -2.562 -2.513 3.423 1.00 0.00 C ATOM 452 C6 DG B 7 -1.491 -2.077 4.268 1.00 0.00 C ATOM 453 O6 DG B 7 -1.473 -1.998 5.492 1.00 0.00 O ATOM 454 N1 DG B 7 -0.368 -1.682 3.548 1.00 0.00 N ATOM 455 C2 DG B 7 -0.316 -1.635 2.179 1.00 0.00 C ATOM 456 N2 DG B 7 0.844 -1.235 1.679 1.00 0.00 N ATOM 457 N3 DG B 7 -1.334 -1.964 1.376 1.00 0.00 N ATOM 458 C4 DG B 7 -2.421 -2.402 2.059 1.00 0.00 C ATOM 0 H5' DG B 7 -7.332 -0.046 0.245 1.00 0.00 H new ATOM 0 H5'' DG B 7 -8.039 -0.901 -1.111 1.00 0.00 H new ATOM 0 H4' DG B 7 -5.673 -0.782 -1.474 1.00 0.00 H new ATOM 0 H3' DG B 7 -6.894 -3.445 -1.016 1.00 0.00 H new ATOM 0 H2' DG B 7 -4.988 -4.331 0.034 1.00 0.00 H new ATOM 0 H2'' DG B 7 -4.056 -3.862 -1.374 1.00 0.00 H new ATOM 0 H1' DG B 7 -3.274 -1.964 -0.394 1.00 0.00 H new ATOM 0 H8 DG B 7 -5.407 -3.528 2.456 1.00 0.00 H new ATOM 0 H1 DG B 7 0.466 -1.411 4.070 1.00 0.00 H new ATOM 0 H21 DG B 7 0.969 -1.171 0.669 1.00 0.00 H new ATOM 0 H22 DG B 7 1.612 -0.991 2.304 1.00 0.00 H new ATOM 470 P DT B 8 -6.694 -3.754 -3.615 1.00 0.00 P ATOM 471 OP1 DT B 8 -7.790 -2.933 -4.175 1.00 0.00 O ATOM 472 OP2 DT B 8 -6.992 -5.038 -2.942 1.00 0.00 O ATOM 473 O5' DT B 8 -5.618 -4.043 -4.760 1.00 0.00 O ATOM 474 C5' DT B 8 -5.185 -3.028 -5.640 1.00 0.00 C ATOM 475 C4' DT B 8 -3.930 -3.514 -6.363 1.00 0.00 C ATOM 476 O4' DT B 8 -2.858 -3.581 -5.436 1.00 0.00 O ATOM 477 C3' DT B 8 -4.129 -4.928 -6.931 1.00 0.00 C ATOM 478 O3' DT B 8 -3.590 -5.031 -8.236 1.00 0.00 O ATOM 479 C2' DT B 8 -3.300 -5.777 -5.984 1.00 0.00 C ATOM 480 C1' DT B 8 -2.190 -4.803 -5.660 1.00 0.00 C ATOM 481 N1 DT B 8 -1.429 -5.296 -4.496 1.00 0.00 N ATOM 482 C2 DT B 8 -0.284 -6.046 -4.748 1.00 0.00 C ATOM 483 O2 DT B 8 0.065 -6.388 -5.874 1.00 0.00 O ATOM 484 N3 DT B 8 0.463 -6.408 -3.644 1.00 0.00 N ATOM 485 C4 DT B 8 0.176 -6.072 -2.334 1.00 0.00 C ATOM 486 O4 DT B 8 0.943 -6.424 -1.440 1.00 0.00 O ATOM 487 C5 DT B 8 -1.054 -5.313 -2.151 1.00 0.00 C ATOM 488 C7 DT B 8 -1.349 -4.776 -0.764 1.00 0.00 C ATOM 489 C6 DT B 8 -1.827 -4.974 -3.223 1.00 0.00 C ATOM 0 H5' DT B 8 -4.973 -2.113 -5.087 1.00 0.00 H new ATOM 0 H5'' DT B 8 -5.969 -2.791 -6.360 1.00 0.00 H new ATOM 0 H4' DT B 8 -3.720 -2.818 -7.175 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.178 -5.214 -7.002 1.00 0.00 H new ATOM 0 H2' DT B 8 -3.859 -6.081 -5.099 1.00 0.00 H new ATOM 0 H2'' DT B 8 -2.931 -6.688 -6.456 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.447 -4.683 -6.448 1.00 0.00 H new ATOM 0 H3 DT B 8 1.297 -6.971 -3.809 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.927 -3.855 -0.846 1.00 0.00 H new ATOM 0 H72 DT B 8 -1.921 -5.514 -0.202 1.00 0.00 H new ATOM 0 H73 DT B 8 -0.412 -4.572 -0.246 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.758 -4.449 -3.069 1.00 0.00 H new TER 502 DT B 8