USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 184 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 3 DT C7 :methyl -30:sc= 0 (180deg=-0.0218) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl 150:sc=-0.00985 (180deg=-0.00985) USER MOD Single : B 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT C7 :methyl 150:sc= -0.172 (180deg=-0.172) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 6.641 2.901 -8.793 1.00 8.00 P ATOM 2 OP1 DC A 1 7.061 3.362 -10.135 1.00 8.00 O ATOM 3 OP2 DC A 1 5.918 1.620 -8.646 1.00 8.00 O ATOM 4 O5' DC A 1 8.025 2.780 -8.037 1.00 8.00 O ATOM 5 C5' DC A 1 8.801 1.596 -8.116 1.00 8.00 C ATOM 6 C4' DC A 1 10.186 1.908 -7.539 1.00 8.00 C ATOM 7 O4' DC A 1 10.741 2.969 -8.317 1.00 8.00 O ATOM 8 C3' DC A 1 10.005 2.415 -6.111 1.00 8.00 C ATOM 9 O3' DC A 1 10.833 1.935 -5.070 1.00 8.00 O ATOM 10 C2' DC A 1 10.311 3.874 -6.186 1.00 8.00 C ATOM 11 C1' DC A 1 11.200 3.968 -7.419 1.00 8.00 C ATOM 12 N1 DC A 1 11.082 5.304 -8.046 1.00 8.00 N ATOM 13 C2 DC A 1 12.236 6.036 -8.289 1.00 8.00 C ATOM 14 O2 DC A 1 13.340 5.577 -8.022 1.00 8.00 O ATOM 15 N3 DC A 1 12.133 7.267 -8.843 1.00 8.00 N ATOM 16 C4 DC A 1 10.947 7.756 -9.142 1.00 8.00 C ATOM 17 N4 DC A 1 10.930 8.961 -9.663 1.00 8.00 N ATOM 18 C5 DC A 1 9.742 7.031 -8.941 1.00 8.00 C ATOM 19 C6 DC A 1 9.855 5.812 -8.377 1.00 8.00 C ATOM 0 H5' DC A 1 8.884 1.261 -9.150 1.00 8.00 H new ATOM 0 H5'' DC A 1 8.326 0.790 -7.557 1.00 8.00 H new ATOM 0 H4' DC A 1 10.827 1.026 -7.554 1.00 8.00 H new ATOM 0 H3' DC A 1 9.005 2.079 -5.836 1.00 8.00 H new ATOM 0 H2' DC A 1 9.406 4.472 -6.293 1.00 8.00 H new ATOM 0 H2'' DC A 1 10.822 4.227 -5.290 1.00 8.00 H new ATOM 0 H1' DC A 1 12.248 3.823 -7.157 1.00 8.00 H new ATOM 0 H41 DC A 1 10.042 9.395 -9.916 1.00 8.00 H new ATOM 0 H42 DC A 1 11.805 9.463 -9.815 1.00 8.00 H new ATOM 0 H5 DC A 1 8.783 7.437 -9.226 1.00 8.00 H new ATOM 0 H6 DC A 1 8.967 5.229 -8.184 1.00 8.00 H new ATOM 31 P DA A 2 10.205 1.999 -3.584 1.00 8.00 P ATOM 32 OP1 DA A 2 9.630 3.327 -3.290 1.00 8.00 O ATOM 33 OP2 DA A 2 10.989 1.274 -2.554 1.00 8.00 O ATOM 34 O5' DA A 2 9.056 1.019 -4.034 1.00 8.00 O ATOM 35 C5' DA A 2 9.461 -0.287 -4.344 1.00 8.00 C ATOM 36 C4' DA A 2 8.892 -1.136 -3.207 1.00 8.00 C ATOM 37 O4' DA A 2 7.655 -0.543 -2.788 1.00 8.00 O ATOM 38 C3' DA A 2 8.556 -2.614 -3.389 1.00 8.00 C ATOM 39 O3' DA A 2 9.024 -3.398 -2.297 1.00 8.00 O ATOM 40 C2' DA A 2 7.044 -2.716 -3.548 1.00 8.00 C ATOM 41 C1' DA A 2 6.527 -1.341 -3.118 1.00 8.00 C ATOM 42 N9 DA A 2 5.604 -0.785 -4.151 1.00 8.00 N ATOM 43 C8 DA A 2 5.640 -0.916 -5.524 1.00 8.00 C ATOM 44 N7 DA A 2 4.529 -0.636 -6.143 1.00 8.00 N ATOM 45 C5 DA A 2 3.702 -0.232 -5.105 1.00 8.00 C ATOM 46 C6 DA A 2 2.377 0.217 -5.059 1.00 8.00 C ATOM 47 N6 DA A 2 1.596 0.232 -6.128 1.00 8.00 N ATOM 48 N1 DA A 2 1.832 0.589 -3.908 1.00 8.00 N ATOM 49 C2 DA A 2 2.573 0.493 -2.815 1.00 8.00 C ATOM 50 N3 DA A 2 3.817 0.056 -2.705 1.00 8.00 N ATOM 51 C4 DA A 2 4.349 -0.273 -3.902 1.00 8.00 C ATOM 0 H5' DA A 2 10.547 -0.366 -4.395 1.00 8.00 H new ATOM 0 H5'' DA A 2 9.073 -0.605 -5.311 1.00 8.00 H new ATOM 0 H4' DA A 2 9.742 -1.137 -2.524 1.00 8.00 H new ATOM 0 H3' DA A 2 9.057 -3.010 -4.272 1.00 8.00 H new ATOM 0 H2' DA A 2 6.766 -2.942 -4.578 1.00 8.00 H new ATOM 0 H2'' DA A 2 6.631 -3.509 -2.925 1.00 8.00 H new ATOM 0 H1' DA A 2 5.906 -1.384 -2.223 1.00 8.00 H new ATOM 0 H8 DA A 2 6.530 -1.230 -6.050 1.00 8.00 H new ATOM 0 H61 DA A 2 0.635 0.567 -6.053 1.00 8.00 H new ATOM 0 H62 DA A 2 1.955 -0.091 -7.026 1.00 8.00 H new ATOM 0 H2 DA A 2 2.102 0.812 -1.897 1.00 8.00 H new ATOM 63 P DT A 3 8.744 -3.064 -0.734 1.00 8.00 P ATOM 64 OP1 DT A 3 9.179 -1.678 -0.408 1.00 8.00 O ATOM 65 OP2 DT A 3 9.292 -4.187 0.062 1.00 8.00 O ATOM 66 O5' DT A 3 7.154 -3.174 -0.576 1.00 8.00 O ATOM 67 C5' DT A 3 6.522 -2.706 0.595 1.00 8.00 C ATOM 68 C4' DT A 3 5.017 -3.006 0.629 1.00 8.00 C ATOM 69 O4' DT A 3 4.379 -2.388 -0.473 1.00 8.00 O ATOM 70 C3' DT A 3 4.652 -4.495 0.543 1.00 8.00 C ATOM 71 O3' DT A 3 4.260 -5.036 1.787 1.00 8.00 O ATOM 72 C2' DT A 3 3.436 -4.502 -0.383 1.00 8.00 C ATOM 73 C1' DT A 3 3.138 -3.025 -0.637 1.00 8.00 C ATOM 74 N1 DT A 3 2.665 -2.859 -2.023 1.00 8.00 N ATOM 75 C2 DT A 3 1.367 -2.442 -2.235 1.00 8.00 C ATOM 76 O2 DT A 3 0.619 -2.065 -1.347 1.00 8.00 O ATOM 77 N3 DT A 3 0.927 -2.486 -3.531 1.00 8.00 N ATOM 78 C4 DT A 3 1.621 -2.940 -4.620 1.00 8.00 C ATOM 79 O4 DT A 3 1.096 -2.885 -5.729 1.00 8.00 O ATOM 80 C5 DT A 3 2.948 -3.440 -4.311 1.00 8.00 C ATOM 81 C7 DT A 3 3.777 -4.222 -5.312 1.00 8.00 C ATOM 82 C6 DT A 3 3.416 -3.356 -3.049 1.00 8.00 C ATOM 0 H5' DT A 3 6.674 -1.630 0.677 1.00 8.00 H new ATOM 0 H5'' DT A 3 6.997 -3.162 1.464 1.00 8.00 H new ATOM 0 H4' DT A 3 4.688 -2.625 1.596 1.00 8.00 H new ATOM 0 H3' DT A 3 5.503 -5.087 0.206 1.00 8.00 H new ATOM 0 H2' DT A 3 3.649 -5.029 -1.313 1.00 8.00 H new ATOM 0 H2'' DT A 3 2.587 -5.004 0.081 1.00 8.00 H new ATOM 0 H1' DT A 3 2.373 -2.621 0.026 1.00 8.00 H new ATOM 0 H3 DT A 3 -0.018 -2.144 -3.703 1.00 8.00 H new ATOM 0 H71 DT A 3 3.116 -4.776 -5.978 1.00 8.00 H new ATOM 0 H72 DT A 3 4.387 -3.533 -5.897 1.00 8.00 H new ATOM 0 H73 DT A 3 4.425 -4.919 -4.782 1.00 8.00 H new ATOM 0 H6 DT A 3 4.421 -3.694 -2.843 1.00 8.00 H new ATOM 95 P DT A 4 5.192 -6.062 2.592 1.00 8.00 P ATOM 96 OP1 DT A 4 6.542 -6.097 1.984 1.00 8.00 O ATOM 97 OP2 DT A 4 4.386 -7.300 2.691 1.00 8.00 O ATOM 98 O5' DT A 4 5.305 -5.416 4.047 1.00 8.00 O ATOM 99 C5' DT A 4 6.236 -4.389 4.314 1.00 8.00 C ATOM 100 C4' DT A 4 5.926 -3.586 5.588 1.00 8.00 C ATOM 101 O4' DT A 4 4.627 -3.029 5.526 1.00 8.00 O ATOM 102 C3' DT A 4 5.958 -4.427 6.852 1.00 8.00 C ATOM 103 O3' DT A 4 6.242 -3.470 7.846 1.00 8.00 O ATOM 104 C2' DT A 4 4.510 -4.878 6.917 1.00 8.00 C ATOM 105 C1' DT A 4 3.817 -3.591 6.544 1.00 8.00 C ATOM 106 N1 DT A 4 2.470 -3.893 6.041 1.00 8.00 N ATOM 107 C2 DT A 4 1.401 -3.805 6.913 1.00 8.00 C ATOM 108 O2 DT A 4 1.528 -3.585 8.112 1.00 8.00 O ATOM 109 N3 DT A 4 0.157 -3.988 6.368 1.00 8.00 N ATOM 110 C4 DT A 4 -0.106 -4.245 5.045 1.00 8.00 C ATOM 111 O4 DT A 4 -1.273 -4.366 4.690 1.00 8.00 O ATOM 112 C5 DT A 4 1.067 -4.373 4.190 1.00 8.00 C ATOM 113 C7 DT A 4 0.893 -4.572 2.689 1.00 8.00 C ATOM 114 C6 DT A 4 2.305 -4.205 4.725 1.00 8.00 C ATOM 0 H5' DT A 4 6.264 -3.707 3.464 1.00 8.00 H new ATOM 0 H5'' DT A 4 7.230 -4.827 4.405 1.00 8.00 H new ATOM 0 H4' DT A 4 6.703 -2.823 5.633 1.00 8.00 H new ATOM 0 H3' DT A 4 6.651 -5.265 6.927 1.00 8.00 H new ATOM 0 H2' DT A 4 4.293 -5.686 6.218 1.00 8.00 H new ATOM 0 H2'' DT A 4 4.228 -5.231 7.909 1.00 8.00 H new ATOM 0 H1' DT A 4 3.699 -2.907 7.384 1.00 8.00 H new ATOM 0 H3 DT A 4 -0.642 -3.928 6.999 1.00 8.00 H new ATOM 0 H71 DT A 4 1.741 -4.134 2.163 1.00 8.00 H new ATOM 0 H72 DT A 4 0.840 -5.638 2.467 1.00 8.00 H new ATOM 0 H73 DT A 4 -0.027 -4.087 2.362 1.00 8.00 H new ATOM 0 H6 DT A 4 3.175 -4.321 4.095 1.00 8.00 H new ATOM 127 P DC A 5 6.587 -3.843 9.333 1.00 8.00 P ATOM 128 OP1 DC A 5 5.979 -5.129 9.718 1.00 8.00 O ATOM 129 OP2 DC A 5 6.079 -2.666 10.075 1.00 8.00 O ATOM 130 O5' DC A 5 8.183 -3.876 9.380 1.00 8.00 O ATOM 131 C5' DC A 5 8.908 -2.733 9.798 1.00 8.00 C ATOM 132 C4' DC A 5 10.130 -2.414 8.935 1.00 8.00 C ATOM 133 O4' DC A 5 11.247 -3.179 9.346 1.00 8.00 O ATOM 134 C3' DC A 5 9.993 -2.553 7.419 1.00 8.00 C ATOM 135 O3' DC A 5 10.335 -1.326 6.807 1.00 8.00 O ATOM 136 C2' DC A 5 11.031 -3.591 7.048 1.00 8.00 C ATOM 137 C1' DC A 5 12.014 -3.520 8.210 1.00 8.00 C ATOM 138 N1 DC A 5 12.582 -4.861 8.446 1.00 8.00 N ATOM 139 C2 DC A 5 13.912 -5.096 8.139 1.00 8.00 C ATOM 140 O2 DC A 5 14.616 -4.204 7.677 1.00 8.00 O ATOM 141 N3 DC A 5 14.429 -6.330 8.348 1.00 8.00 N ATOM 142 C4 DC A 5 13.658 -7.285 8.828 1.00 8.00 C ATOM 143 N4 DC A 5 14.230 -8.455 8.995 1.00 8.00 N ATOM 144 C5 DC A 5 12.281 -7.099 9.127 1.00 8.00 C ATOM 145 C6 DC A 5 11.782 -5.861 8.922 1.00 8.00 C ATOM 0 H5' DC A 5 9.233 -2.880 10.828 1.00 8.00 H new ATOM 0 H5'' DC A 5 8.240 -1.872 9.794 1.00 8.00 H new ATOM 0 H4' DC A 5 10.256 -1.345 9.109 1.00 8.00 H new ATOM 0 H3' DC A 5 8.984 -2.824 7.108 1.00 8.00 H new ATOM 0 H2' DC A 5 10.592 -4.584 6.950 1.00 8.00 H new ATOM 0 H2'' DC A 5 11.512 -3.360 6.097 1.00 8.00 H new ATOM 0 H1' DC A 5 12.815 -2.808 8.009 1.00 8.00 H new ATOM 0 H41 DC A 5 13.691 -9.239 9.363 1.00 8.00 H new ATOM 0 H42 DC A 5 15.214 -8.580 8.757 1.00 8.00 H new ATOM 0 H5 DC A 5 11.666 -7.905 9.499 1.00 8.00 H new ATOM 0 H6 DC A 5 10.743 -5.660 9.136 1.00 8.00 H new ATOM 157 P DA A 6 9.193 -0.245 6.568 1.00 8.00 P ATOM 158 OP1 DA A 6 9.720 1.019 5.981 1.00 8.00 O ATOM 159 OP2 DA A 6 8.269 -0.227 7.735 1.00 8.00 O ATOM 160 O5' DA A 6 8.417 -1.008 5.421 1.00 8.00 O ATOM 161 C5' DA A 6 9.075 -1.507 4.274 1.00 8.00 C ATOM 162 C4' DA A 6 8.310 -1.011 3.050 1.00 8.00 C ATOM 163 O4' DA A 6 6.936 -1.294 3.246 1.00 8.00 O ATOM 164 C3' DA A 6 8.460 0.501 2.915 1.00 8.00 C ATOM 165 O3' DA A 6 8.716 0.878 1.591 1.00 8.00 O ATOM 166 C2' DA A 6 7.163 1.083 3.480 1.00 8.00 C ATOM 167 C1' DA A 6 6.208 -0.091 3.369 1.00 8.00 C ATOM 168 N9 DA A 6 5.308 -0.148 4.532 1.00 8.00 N ATOM 169 C8 DA A 6 5.541 0.062 5.867 1.00 8.00 C ATOM 170 N7 DA A 6 4.500 -0.082 6.643 1.00 8.00 N ATOM 171 C5 DA A 6 3.494 -0.406 5.722 1.00 8.00 C ATOM 172 C6 DA A 6 2.125 -0.708 5.801 1.00 8.00 C ATOM 173 N6 DA A 6 1.404 -0.692 6.911 1.00 8.00 N ATOM 174 N1 DA A 6 1.469 -1.075 4.705 1.00 8.00 N ATOM 175 C2 DA A 6 2.105 -1.112 3.546 1.00 8.00 C ATOM 176 N3 DA A 6 3.361 -0.820 3.315 1.00 8.00 N ATOM 177 C4 DA A 6 3.998 -0.484 4.452 1.00 8.00 C ATOM 0 H5' DA A 6 9.103 -2.596 4.292 1.00 8.00 H new ATOM 0 H5'' DA A 6 10.109 -1.162 4.245 1.00 8.00 H new ATOM 0 H4' DA A 6 8.698 -1.500 2.157 1.00 8.00 H new ATOM 0 H3' DA A 6 9.319 0.886 3.464 1.00 8.00 H new ATOM 0 H2' DA A 6 7.281 1.415 4.511 1.00 8.00 H new ATOM 0 H2'' DA A 6 6.819 1.943 2.906 1.00 8.00 H new ATOM 0 H1' DA A 6 5.595 0.044 2.478 1.00 8.00 H new ATOM 0 H8 DA A 6 6.515 0.327 6.250 1.00 8.00 H new ATOM 0 H61 DA A 6 0.412 -0.926 6.878 1.00 8.00 H new ATOM 0 H62 DA A 6 1.841 -0.446 7.799 1.00 8.00 H new ATOM 0 H2 DA A 6 1.521 -1.419 2.691 1.00 8.00 H new ATOM 189 P DT A 7 8.860 2.413 1.249 1.00 8.00 P ATOM 190 OP1 DT A 7 9.645 2.494 -0.003 1.00 8.00 O ATOM 191 OP2 DT A 7 9.299 3.110 2.488 1.00 8.00 O ATOM 192 O5' DT A 7 7.364 2.783 0.864 1.00 8.00 O ATOM 193 C5' DT A 7 6.700 2.044 -0.151 1.00 8.00 C ATOM 194 C4' DT A 7 5.204 2.346 -0.206 1.00 8.00 C ATOM 195 O4' DT A 7 4.526 1.725 0.870 1.00 8.00 O ATOM 196 C3' DT A 7 4.846 3.835 -0.148 1.00 8.00 C ATOM 197 O3' DT A 7 4.470 4.300 -1.426 1.00 8.00 O ATOM 198 C2' DT A 7 3.656 3.850 0.807 1.00 8.00 C ATOM 199 C1' DT A 7 3.287 2.383 0.988 1.00 8.00 C ATOM 200 N1 DT A 7 2.739 2.188 2.341 1.00 8.00 N ATOM 201 C2 DT A 7 1.385 1.952 2.495 1.00 8.00 C ATOM 202 O2 DT A 7 0.625 1.713 1.569 1.00 8.00 O ATOM 203 N3 DT A 7 0.905 2.010 3.778 1.00 8.00 N ATOM 204 C4 DT A 7 1.615 2.383 4.892 1.00 8.00 C ATOM 205 O4 DT A 7 1.043 2.440 5.974 1.00 8.00 O ATOM 206 C5 DT A 7 3.018 2.670 4.644 1.00 8.00 C ATOM 207 C7 DT A 7 3.915 3.313 5.683 1.00 8.00 C ATOM 208 C6 DT A 7 3.517 2.537 3.401 1.00 8.00 C ATOM 0 H5' DT A 7 6.847 0.978 0.024 1.00 8.00 H new ATOM 0 H5'' DT A 7 7.150 2.273 -1.117 1.00 8.00 H new ATOM 0 H4' DT A 7 4.894 1.957 -1.176 1.00 8.00 H new ATOM 0 H3' DT A 7 5.668 4.474 0.173 1.00 8.00 H new ATOM 0 H2' DT A 7 3.918 4.313 1.759 1.00 8.00 H new ATOM 0 H2'' DT A 7 2.824 4.420 0.394 1.00 8.00 H new ATOM 0 H1' DT A 7 2.543 2.023 0.278 1.00 8.00 H new ATOM 0 H3 DT A 7 -0.072 1.752 3.918 1.00 8.00 H new ATOM 0 H71 DT A 7 4.940 2.970 5.541 1.00 8.00 H new ATOM 0 H72 DT A 7 3.877 4.397 5.576 1.00 8.00 H new ATOM 0 H73 DT A 7 3.574 3.035 6.680 1.00 8.00 H new ATOM 0 H6 DT A 7 4.570 2.713 3.240 1.00 8.00 H new ATOM 221 P DT A 8 5.552 5.049 -2.347 1.00 8.00 P ATOM 222 OP1 DT A 8 6.903 4.651 -1.890 1.00 8.00 O ATOM 223 OP2 DT A 8 5.196 6.479 -2.380 1.00 8.00 O ATOM 224 O5' DT A 8 5.334 4.461 -3.829 1.00 8.00 O ATOM 225 C5' DT A 8 5.872 3.234 -4.280 1.00 8.00 C ATOM 226 C4' DT A 8 5.525 2.963 -5.775 1.00 8.00 C ATOM 227 O4' DT A 8 4.175 2.535 -5.918 1.00 8.00 O ATOM 228 C3' DT A 8 5.670 4.221 -6.657 1.00 8.00 C ATOM 229 O3' DT A 8 5.781 4.043 -8.069 1.00 8.00 O ATOM 230 C2' DT A 8 4.279 4.822 -6.483 1.00 8.00 C ATOM 231 C1' DT A 8 3.409 3.578 -6.495 1.00 8.00 C ATOM 232 N1 DT A 8 2.159 3.810 -5.749 1.00 8.00 N ATOM 233 C2 DT A 8 1.008 4.114 -6.454 1.00 8.00 C ATOM 234 O2 DT A 8 0.934 4.064 -7.675 1.00 8.00 O ATOM 235 N3 DT A 8 -0.084 4.492 -5.716 1.00 8.00 N ATOM 236 C4 DT A 8 -0.134 4.585 -4.345 1.00 8.00 C ATOM 237 O4 DT A 8 -1.193 4.908 -3.822 1.00 8.00 O ATOM 238 C5 DT A 8 1.107 4.244 -3.662 1.00 8.00 C ATOM 239 C7 DT A 8 1.210 4.299 -2.143 1.00 8.00 C ATOM 240 C6 DT A 8 2.191 3.873 -4.386 1.00 8.00 C ATOM 0 H5' DT A 8 5.487 2.421 -3.665 1.00 8.00 H new ATOM 0 H5'' DT A 8 6.955 3.244 -4.154 1.00 8.00 H new ATOM 0 H4' DT A 8 6.229 2.195 -6.095 1.00 8.00 H new ATOM 0 H3' DT A 8 6.574 4.753 -6.361 1.00 8.00 H new ATOM 0 H2' DT A 8 4.186 5.379 -5.550 1.00 8.00 H new ATOM 0 H2'' DT A 8 4.025 5.508 -7.291 1.00 8.00 H new ATOM 0 H1' DT A 8 3.116 3.313 -7.511 1.00 8.00 H new ATOM 0 H3 DT A 8 -0.934 4.725 -6.229 1.00 8.00 H new ATOM 0 H71 DT A 8 1.933 3.559 -1.800 1.00 8.00 H new ATOM 0 H72 DT A 8 1.535 5.293 -1.836 1.00 8.00 H new ATOM 0 H73 DT A 8 0.236 4.084 -1.704 1.00 8.00 H new ATOM 0 H6 DT A 8 3.105 3.620 -3.870 1.00 8.00 H new TER 253 DT A 8 ATOM 254 P DC B 1 -5.730 -4.869 -8.295 1.00 8.00 P ATOM 255 OP1 DC B 1 -4.885 -6.085 -8.264 1.00 8.00 O ATOM 256 OP2 DC B 1 -5.297 -3.732 -9.137 1.00 8.00 O ATOM 257 O5' DC B 1 -7.259 -5.224 -8.605 1.00 8.00 O ATOM 258 C5' DC B 1 -8.110 -4.274 -9.227 1.00 8.00 C ATOM 259 C4' DC B 1 -9.388 -3.975 -8.437 1.00 8.00 C ATOM 260 O4' DC B 1 -10.342 -5.003 -8.646 1.00 8.00 O ATOM 261 C3' DC B 1 -9.255 -3.758 -6.933 1.00 8.00 C ATOM 262 O3' DC B 1 -9.829 -2.532 -6.566 1.00 8.00 O ATOM 263 C2' DC B 1 -10.085 -4.859 -6.307 1.00 8.00 C ATOM 264 C1' DC B 1 -11.029 -5.255 -7.438 1.00 8.00 C ATOM 265 N1 DC B 1 -11.297 -6.705 -7.363 1.00 8.00 N ATOM 266 C2 DC B 1 -12.565 -7.141 -7.011 1.00 8.00 C ATOM 267 O2 DC B 1 -13.461 -6.342 -6.767 1.00 8.00 O ATOM 268 N3 DC B 1 -12.806 -8.472 -6.931 1.00 8.00 N ATOM 269 C4 DC B 1 -11.834 -9.327 -7.180 1.00 8.00 C ATOM 270 N4 DC B 1 -12.137 -10.600 -7.074 1.00 8.00 N ATOM 271 C5 DC B 1 -10.514 -8.925 -7.522 1.00 8.00 C ATOM 272 C6 DC B 1 -10.291 -7.596 -7.604 1.00 8.00 C ATOM 0 H5' DC B 1 -8.383 -4.639 -10.217 1.00 8.00 H new ATOM 0 H5'' DC B 1 -7.558 -3.345 -9.371 1.00 8.00 H new ATOM 0 H4' DC B 1 -9.697 -3.009 -8.838 1.00 8.00 H new ATOM 0 H3' DC B 1 -8.210 -3.763 -6.622 1.00 8.00 H new ATOM 0 H2' DC B 1 -9.467 -5.697 -5.983 1.00 8.00 H new ATOM 0 H2'' DC B 1 -10.629 -4.507 -5.431 1.00 8.00 H new ATOM 0 H1' DC B 1 -11.967 -4.703 -7.374 1.00 8.00 H new ATOM 0 H41 DC B 1 -11.427 -11.310 -7.254 1.00 8.00 H new ATOM 0 H42 DC B 1 -13.082 -10.879 -6.811 1.00 8.00 H new ATOM 0 H5 DC B 1 -9.731 -9.645 -7.707 1.00 8.00 H new ATOM 0 H6 DC B 1 -9.307 -7.234 -7.863 1.00 8.00 H new ATOM 284 P DA B 2 -9.015 -1.173 -6.758 1.00 8.00 P ATOM 285 OP1 DA B 2 -9.958 -0.069 -7.003 1.00 8.00 O ATOM 286 OP2 DA B 2 -7.880 -1.418 -7.689 1.00 8.00 O ATOM 287 O5' DA B 2 -8.370 -0.979 -5.316 1.00 8.00 O ATOM 288 C5' DA B 2 -9.098 -1.242 -4.145 1.00 8.00 C ATOM 289 C4' DA B 2 -8.448 -0.538 -2.954 1.00 8.00 C ATOM 290 O4' DA B 2 -7.090 -0.924 -2.886 1.00 8.00 O ATOM 291 C3' DA B 2 -8.501 0.991 -3.054 1.00 8.00 C ATOM 292 O3' DA B 2 -8.734 1.493 -1.753 1.00 8.00 O ATOM 293 C2' DA B 2 -7.131 1.369 -3.618 1.00 8.00 C ATOM 294 C1' DA B 2 -6.272 0.170 -3.245 1.00 8.00 C ATOM 295 N9 DA B 2 -5.348 -0.211 -4.330 1.00 8.00 N ATOM 296 C8 DA B 2 -5.521 -0.299 -5.693 1.00 8.00 C ATOM 297 N7 DA B 2 -4.478 -0.737 -6.352 1.00 8.00 N ATOM 298 C5 DA B 2 -3.545 -0.942 -5.327 1.00 8.00 C ATOM 299 C6 DA B 2 -2.231 -1.436 -5.259 1.00 8.00 C ATOM 300 N6 DA B 2 -1.512 -1.811 -6.303 1.00 8.00 N ATOM 301 N1 DA B 2 -1.633 -1.582 -4.080 1.00 8.00 N ATOM 302 C2 DA B 2 -2.287 -1.245 -2.980 1.00 8.00 C ATOM 303 N3 DA B 2 -3.504 -0.759 -2.890 1.00 8.00 N ATOM 304 C4 DA B 2 -4.084 -0.651 -4.105 1.00 8.00 C ATOM 0 H5' DA B 2 -9.137 -2.316 -3.965 1.00 8.00 H new ATOM 0 H5'' DA B 2 -10.126 -0.901 -4.262 1.00 8.00 H new ATOM 0 H4' DA B 2 -9.007 -0.832 -2.066 1.00 8.00 H new ATOM 0 H3' DA B 2 -9.289 1.397 -3.688 1.00 8.00 H new ATOM 0 H2' DA B 2 -7.166 1.522 -4.697 1.00 8.00 H new ATOM 0 H2'' DA B 2 -6.752 2.291 -3.177 1.00 8.00 H new ATOM 0 H1' DA B 2 -5.662 0.458 -2.389 1.00 8.00 H new ATOM 0 H8 DA B 2 -6.446 -0.028 -6.181 1.00 8.00 H new ATOM 0 H61 DA B 2 -0.563 -2.160 -6.170 1.00 8.00 H new ATOM 0 H62 DA B 2 -1.907 -1.752 -7.242 1.00 8.00 H new ATOM 0 H2 DA B 2 -1.759 -1.386 -2.048 1.00 8.00 H new ATOM 316 P DT B 3 -8.711 3.055 -1.432 1.00 8.00 P ATOM 317 OP1 DT B 3 -9.434 3.186 -0.137 1.00 8.00 O ATOM 318 OP2 DT B 3 -9.160 3.821 -2.601 1.00 8.00 O ATOM 319 O5' DT B 3 -7.185 3.355 -1.119 1.00 8.00 O ATOM 320 C5' DT B 3 -6.548 2.760 -0.005 1.00 8.00 C ATOM 321 C4' DT B 3 -5.049 3.051 -0.008 1.00 8.00 C ATOM 322 O4' DT B 3 -4.404 2.183 -0.923 1.00 8.00 O ATOM 323 C3' DT B 3 -4.657 4.478 -0.416 1.00 8.00 C ATOM 324 O3' DT B 3 -4.289 5.266 0.693 1.00 8.00 O ATOM 325 C2' DT B 3 -3.450 4.239 -1.318 1.00 8.00 C ATOM 326 C1' DT B 3 -3.147 2.747 -1.195 1.00 8.00 C ATOM 327 N1 DT B 3 -2.628 2.243 -2.478 1.00 8.00 N ATOM 328 C2 DT B 3 -1.320 1.800 -2.550 1.00 8.00 C ATOM 329 O2 DT B 3 -0.601 1.630 -1.578 1.00 8.00 O ATOM 330 N3 DT B 3 -0.832 1.547 -3.809 1.00 8.00 N ATOM 331 C4 DT B 3 -1.503 1.753 -4.989 1.00 8.00 C ATOM 332 O4 DT B 3 -0.944 1.486 -6.044 1.00 8.00 O ATOM 333 C5 DT B 3 -2.854 2.266 -4.838 1.00 8.00 C ATOM 334 C7 DT B 3 -3.661 2.791 -6.010 1.00 8.00 C ATOM 335 C6 DT B 3 -3.363 2.459 -3.606 1.00 8.00 C ATOM 0 H5' DT B 3 -6.712 1.683 -0.021 1.00 8.00 H new ATOM 0 H5'' DT B 3 -6.993 3.137 0.916 1.00 8.00 H new ATOM 0 H4' DT B 3 -4.741 2.907 1.028 1.00 8.00 H new ATOM 0 H3' DT B 3 -5.476 5.020 -0.890 1.00 8.00 H new ATOM 0 H2' DT B 3 -3.669 4.512 -2.350 1.00 8.00 H new ATOM 0 H2'' DT B 3 -2.598 4.841 -1.003 1.00 8.00 H new ATOM 0 H1' DT B 3 -2.403 2.513 -0.434 1.00 8.00 H new ATOM 0 H3 DT B 3 0.114 1.172 -3.873 1.00 8.00 H new ATOM 0 H71 DT B 3 -4.722 2.622 -5.826 1.00 8.00 H new ATOM 0 H72 DT B 3 -3.479 3.859 -6.128 1.00 8.00 H new ATOM 0 H73 DT B 3 -3.363 2.269 -6.920 1.00 8.00 H new ATOM 0 H6 DT B 3 -4.385 2.795 -3.509 1.00 8.00 H new ATOM 348 P DT B 4 -5.384 6.161 1.460 1.00 8.00 P ATOM 349 OP1 DT B 4 -6.746 5.723 1.067 1.00 8.00 O ATOM 350 OP2 DT B 4 -5.011 7.581 1.336 1.00 8.00 O ATOM 351 O5' DT B 4 -5.192 5.740 2.986 1.00 8.00 O ATOM 352 C5' DT B 4 -6.160 4.988 3.685 1.00 8.00 C ATOM 353 C4' DT B 4 -5.715 4.674 5.119 1.00 8.00 C ATOM 354 O4' DT B 4 -4.433 4.080 5.096 1.00 8.00 O ATOM 355 C3' DT B 4 -5.571 5.944 5.949 1.00 8.00 C ATOM 356 O3' DT B 4 -5.784 5.572 7.289 1.00 8.00 O ATOM 357 C2' DT B 4 -4.114 6.285 5.730 1.00 8.00 C ATOM 358 C1' DT B 4 -3.527 4.895 5.804 1.00 8.00 C ATOM 359 N1 DT B 4 -2.219 4.935 5.144 1.00 8.00 N ATOM 360 C2 DT B 4 -1.114 5.243 5.906 1.00 8.00 C ATOM 361 O2 DT B 4 -1.187 5.510 7.108 1.00 8.00 O ATOM 362 N3 DT B 4 0.084 5.301 5.242 1.00 8.00 N ATOM 363 C4 DT B 4 0.251 5.142 3.883 1.00 8.00 C ATOM 364 O4 DT B 4 1.391 5.164 3.436 1.00 8.00 O ATOM 365 C5 DT B 4 -0.980 4.964 3.124 1.00 8.00 C ATOM 366 C7 DT B 4 -0.965 4.839 1.605 1.00 8.00 C ATOM 367 C6 DT B 4 -2.160 4.873 3.784 1.00 8.00 C ATOM 0 H5' DT B 4 -6.350 4.057 3.152 1.00 8.00 H new ATOM 0 H5'' DT B 4 -7.100 5.539 3.709 1.00 8.00 H new ATOM 0 H4' DT B 4 -6.471 4.018 5.551 1.00 8.00 H new ATOM 0 H3' DT B 4 -6.245 6.764 5.702 1.00 8.00 H new ATOM 0 H2' DT B 4 -3.935 6.766 4.768 1.00 8.00 H new ATOM 0 H2'' DT B 4 -3.718 6.950 6.498 1.00 8.00 H new ATOM 0 H1' DT B 4 -3.386 4.521 6.818 1.00 8.00 H new ATOM 0 H3 DT B 4 0.920 5.476 5.799 1.00 8.00 H new ATOM 0 H71 DT B 4 -1.800 4.217 1.283 1.00 8.00 H new ATOM 0 H72 DT B 4 -1.056 5.829 1.158 1.00 8.00 H new ATOM 0 H73 DT B 4 -0.028 4.382 1.287 1.00 8.00 H new ATOM 0 H6 DT B 4 -3.073 4.749 3.220 1.00 8.00 H new ATOM 380 P DC B 5 -5.984 6.647 8.433 1.00 8.00 P ATOM 381 OP1 DC B 5 -6.964 7.616 7.886 1.00 8.00 O ATOM 382 OP2 DC B 5 -4.624 7.066 8.857 1.00 8.00 O ATOM 383 O5' DC B 5 -6.701 5.836 9.626 1.00 8.00 O ATOM 384 C5' DC B 5 -6.700 4.414 9.722 1.00 8.00 C ATOM 385 C4' DC B 5 -8.098 3.812 9.471 1.00 8.00 C ATOM 386 O4' DC B 5 -8.982 4.372 10.433 1.00 8.00 O ATOM 387 C3' DC B 5 -8.685 4.206 8.102 1.00 8.00 C ATOM 388 O3' DC B 5 -8.797 3.306 7.049 1.00 8.00 O ATOM 389 C2' DC B 5 -10.100 4.688 8.372 1.00 8.00 C ATOM 390 C1' DC B 5 -10.275 4.531 9.880 1.00 8.00 C ATOM 391 N1 DC B 5 -10.889 5.751 10.442 1.00 8.00 N ATOM 392 C2 DC B 5 -12.171 5.685 10.967 1.00 8.00 C ATOM 393 O2 DC B 5 -12.798 4.632 10.970 1.00 8.00 O ATOM 394 N3 DC B 5 -12.733 6.807 11.480 1.00 8.00 N ATOM 395 C4 DC B 5 -12.059 7.939 11.466 1.00 8.00 C ATOM 396 N4 DC B 5 -12.667 8.985 11.978 1.00 8.00 N ATOM 397 C5 DC B 5 -10.752 8.058 10.923 1.00 8.00 C ATOM 398 C6 DC B 5 -10.202 6.930 10.424 1.00 8.00 C ATOM 0 H5' DC B 5 -6.351 4.119 10.712 1.00 8.00 H new ATOM 0 H5'' DC B 5 -5.994 4.003 9.000 1.00 8.00 H new ATOM 0 H4' DC B 5 -7.997 2.728 9.522 1.00 8.00 H new ATOM 0 H3' DC B 5 -7.933 4.904 7.734 1.00 8.00 H new ATOM 0 H2' DC B 5 -10.232 5.725 8.063 1.00 8.00 H new ATOM 0 H2'' DC B 5 -10.833 4.096 7.823 1.00 8.00 H new ATOM 0 H1' DC B 5 -10.915 3.678 10.106 1.00 8.00 H new ATOM 0 H41 DC B 5 -12.197 9.890 11.996 1.00 8.00 H new ATOM 0 H42 DC B 5 -13.609 8.892 12.357 1.00 8.00 H new ATOM 0 H5 DC B 5 -10.226 9.001 10.910 1.00 8.00 H new ATOM 0 H6 DC B 5 -9.207 6.961 10.006 1.00 8.00 H new ATOM 410 P DA B 6 -9.275 3.922 5.640 1.00 8.00 P ATOM 411 OP1 DA B 6 -8.563 5.204 5.413 1.00 8.00 O ATOM 412 OP2 DA B 6 -10.748 3.940 5.574 1.00 8.00 O ATOM 413 O5' DA B 6 -8.731 2.779 4.698 1.00 8.00 O ATOM 414 C5' DA B 6 -9.629 1.734 4.428 1.00 8.00 C ATOM 415 C4' DA B 6 -9.100 0.676 3.436 1.00 8.00 C ATOM 416 O4' DA B 6 -7.840 1.131 2.936 1.00 8.00 O ATOM 417 C3' DA B 6 -8.846 -0.746 3.970 1.00 8.00 C ATOM 418 O3' DA B 6 -9.368 -1.812 3.190 1.00 8.00 O ATOM 419 C2' DA B 6 -7.350 -0.870 4.170 1.00 8.00 C ATOM 420 C1' DA B 6 -6.765 0.342 3.446 1.00 8.00 C ATOM 421 N9 DA B 6 -5.810 1.026 4.360 1.00 8.00 N ATOM 422 C8 DA B 6 -5.900 1.222 5.721 1.00 8.00 C ATOM 423 N7 DA B 6 -4.765 1.384 6.337 1.00 8.00 N ATOM 424 C5 DA B 6 -3.858 1.411 5.285 1.00 8.00 C ATOM 425 C6 DA B 6 -2.484 1.662 5.209 1.00 8.00 C ATOM 426 N6 DA B 6 -1.728 1.853 6.277 1.00 8.00 N ATOM 427 N1 DA B 6 -1.876 1.718 4.026 1.00 8.00 N ATOM 428 C2 DA B 6 -2.607 1.532 2.937 1.00 8.00 C ATOM 429 N3 DA B 6 -3.902 1.275 2.862 1.00 8.00 N ATOM 430 C4 DA B 6 -4.485 1.258 4.081 1.00 8.00 C ATOM 0 H5' DA B 6 -10.551 2.158 4.030 1.00 8.00 H new ATOM 0 H5'' DA B 6 -9.884 1.240 5.365 1.00 8.00 H new ATOM 0 H4' DA B 6 -9.904 0.584 2.705 1.00 8.00 H new ATOM 0 H3' DA B 6 -9.401 -0.857 4.901 1.00 8.00 H new ATOM 0 H2' DA B 6 -7.089 -0.864 5.228 1.00 8.00 H new ATOM 0 H2'' DA B 6 -6.970 -1.803 3.753 1.00 8.00 H new ATOM 0 H1' DA B 6 -6.172 0.079 2.570 1.00 8.00 H new ATOM 0 H8 DA B 6 -6.847 1.240 6.240 1.00 8.00 H new ATOM 0 H61 DA B 6 -0.730 2.033 6.170 1.00 8.00 H new ATOM 0 H62 DA B 6 -2.143 1.820 7.208 1.00 8.00 H new ATOM 0 H2 DA B 6 -2.081 1.598 1.996 1.00 8.00 H new ATOM 442 P DT B 7 -9.068 -2.054 1.628 1.00 8.00 P ATOM 443 OP1 DT B 7 -9.463 -0.846 0.871 1.00 8.00 O ATOM 444 OP2 DT B 7 -9.674 -3.352 1.252 1.00 8.00 O ATOM 445 O5' DT B 7 -7.489 -2.251 1.483 1.00 8.00 O ATOM 446 C5' DT B 7 -6.843 -2.018 0.248 1.00 8.00 C ATOM 447 C4' DT B 7 -5.346 -2.344 0.321 1.00 8.00 C ATOM 448 O4' DT B 7 -4.719 -1.537 1.300 1.00 8.00 O ATOM 449 C3' DT B 7 -5.026 -3.795 0.712 1.00 8.00 C ATOM 450 O3' DT B 7 -4.642 -4.572 -0.400 1.00 8.00 O ATOM 451 C2' DT B 7 -3.817 -3.638 1.631 1.00 8.00 C ATOM 452 C1' DT B 7 -3.490 -2.151 1.593 1.00 8.00 C ATOM 453 N1 DT B 7 -3.017 -1.755 2.929 1.00 8.00 N ATOM 454 C2 DT B 7 -1.682 -1.451 3.091 1.00 8.00 C ATOM 455 O2 DT B 7 -0.895 -1.333 2.166 1.00 8.00 O ATOM 456 N3 DT B 7 -1.256 -1.296 4.381 1.00 8.00 N ATOM 457 C4 DT B 7 -1.975 -1.529 5.519 1.00 8.00 C ATOM 458 O4 DT B 7 -1.412 -1.425 6.606 1.00 8.00 O ATOM 459 C5 DT B 7 -3.357 -1.907 5.276 1.00 8.00 C ATOM 460 C7 DT B 7 -4.277 -2.382 6.381 1.00 8.00 C ATOM 461 C6 DT B 7 -3.817 -1.983 4.010 1.00 8.00 C ATOM 0 H5' DT B 7 -6.975 -0.975 -0.041 1.00 8.00 H new ATOM 0 H5'' DT B 7 -7.310 -2.625 -0.527 1.00 8.00 H new ATOM 0 H4' DT B 7 -4.981 -2.162 -0.690 1.00 8.00 H new ATOM 0 H3' DT B 7 -5.887 -4.294 1.156 1.00 8.00 H new ATOM 0 H2' DT B 7 -4.045 -3.967 2.645 1.00 8.00 H new ATOM 0 H2'' DT B 7 -2.975 -4.237 1.283 1.00 8.00 H new ATOM 0 H1' DT B 7 -2.722 -1.881 0.869 1.00 8.00 H new ATOM 0 H3 DT B 7 -0.297 -0.971 4.507 1.00 8.00 H new ATOM 0 H71 DT B 7 -5.305 -2.108 6.142 1.00 8.00 H new ATOM 0 H72 DT B 7 -4.203 -3.465 6.476 1.00 8.00 H new ATOM 0 H73 DT B 7 -3.987 -1.915 7.322 1.00 8.00 H new ATOM 0 H6 DT B 7 -4.855 -2.233 3.847 1.00 8.00 H new ATOM 474 P DT B 8 -5.640 -5.659 -1.039 1.00 8.00 P ATOM 475 OP1 DT B 8 -7.017 -5.389 -0.563 1.00 8.00 O ATOM 476 OP2 DT B 8 -5.048 -6.994 -0.835 1.00 8.00 O ATOM 477 O5' DT B 8 -5.602 -5.330 -2.604 1.00 8.00 O ATOM 478 C5' DT B 8 -6.328 -4.257 -3.163 1.00 8.00 C ATOM 479 C4' DT B 8 -5.815 -3.830 -4.554 1.00 8.00 C ATOM 480 O4' DT B 8 -4.449 -3.454 -4.470 1.00 8.00 O ATOM 481 C3' DT B 8 -5.842 -4.926 -5.622 1.00 8.00 C ATOM 482 O3' DT B 8 -5.797 -4.210 -6.846 1.00 8.00 O ATOM 483 C2' DT B 8 -4.513 -5.601 -5.342 1.00 8.00 C ATOM 484 C1' DT B 8 -3.661 -4.367 -5.215 1.00 8.00 C ATOM 485 N1 DT B 8 -2.433 -4.744 -4.517 1.00 8.00 N ATOM 486 C2 DT B 8 -1.377 -5.233 -5.258 1.00 8.00 C ATOM 487 O2 DT B 8 -1.450 -5.456 -6.468 1.00 8.00 O ATOM 488 N3 DT B 8 -0.233 -5.523 -4.560 1.00 8.00 N ATOM 489 C4 DT B 8 -0.082 -5.402 -3.195 1.00 8.00 C ATOM 490 O4 DT B 8 1.020 -5.632 -2.711 1.00 8.00 O ATOM 491 C5 DT B 8 -1.287 -5.016 -2.472 1.00 8.00 C ATOM 492 C7 DT B 8 -1.272 -4.823 -0.964 1.00 8.00 C ATOM 493 C6 DT B 8 -2.416 -4.721 -3.160 1.00 8.00 C ATOM 0 H5' DT B 8 -6.278 -3.403 -2.487 1.00 8.00 H new ATOM 0 H5'' DT B 8 -7.378 -4.540 -3.242 1.00 8.00 H new ATOM 0 H4' DT B 8 -6.491 -3.026 -4.844 1.00 8.00 H new ATOM 0 H3' DT B 8 -6.677 -5.626 -5.640 1.00 8.00 H new ATOM 0 H2' DT B 8 -4.526 -6.202 -4.433 1.00 8.00 H new ATOM 0 H2'' DT B 8 -4.192 -6.256 -6.152 1.00 8.00 H new ATOM 0 H1' DT B 8 -3.369 -3.919 -6.165 1.00 8.00 H new ATOM 0 H3 DT B 8 0.571 -5.855 -5.093 1.00 8.00 H new ATOM 0 H71 DT B 8 -2.014 -4.074 -0.686 1.00 8.00 H new ATOM 0 H72 DT B 8 -1.508 -5.768 -0.474 1.00 8.00 H new ATOM 0 H73 DT B 8 -0.283 -4.489 -0.650 1.00 8.00 H new ATOM 0 H6 DT B 8 -3.316 -4.464 -2.621 1.00 8.00 H new TER 506 DT B 8