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= -0.769 (180deg=-0.769) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -1.11 (180deg=-1.11) USER MOD Set 2.1: A 8 DT C7 :methyl 150:sc= -0.997 (180deg=-0.989) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.692 (180deg=-0.685) 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 5.416 4.826 -8.417 1.00 0.00 P ATOM 2 OP1 DT A 1 4.275 3.944 -8.080 1.00 0.00 O ATOM 3 OP2 DT A 1 5.497 5.430 -9.759 1.00 0.00 O ATOM 4 O5' DT A 1 6.738 3.960 -8.198 1.00 0.00 O ATOM 5 C5' DT A 1 6.951 2.786 -8.955 1.00 0.00 C ATOM 6 C4' DT A 1 8.307 2.154 -8.609 1.00 0.00 C ATOM 7 O4' DT A 1 9.336 2.863 -9.296 1.00 0.00 O ATOM 8 C3' DT A 1 8.671 2.170 -7.115 1.00 0.00 C ATOM 9 O3' DT A 1 9.362 0.966 -6.825 1.00 0.00 O ATOM 10 C2' DT A 1 9.576 3.388 -7.024 1.00 0.00 C ATOM 11 C1' DT A 1 10.293 3.332 -8.363 1.00 0.00 C ATOM 12 N1 DT A 1 10.764 4.686 -8.739 1.00 0.00 N ATOM 13 C2 DT A 1 12.118 4.958 -8.612 1.00 0.00 C ATOM 14 O2 DT A 1 12.955 4.138 -8.262 1.00 0.00 O ATOM 15 N3 DT A 1 12.521 6.236 -8.903 1.00 0.00 N ATOM 16 C4 DT A 1 11.706 7.266 -9.299 1.00 0.00 C ATOM 17 O4 DT A 1 12.213 8.359 -9.519 1.00 0.00 O ATOM 18 C5 DT A 1 10.295 6.923 -9.406 1.00 0.00 C ATOM 19 C7 DT A 1 9.258 7.959 -9.819 1.00 0.00 C ATOM 20 C6 DT A 1 9.879 5.662 -9.128 1.00 0.00 C ATOM 0 H5' DT A 1 6.915 3.022 -10.019 1.00 0.00 H new ATOM 0 H5'' DT A 1 6.151 2.072 -8.760 1.00 0.00 H new ATOM 0 H4' DT A 1 8.222 1.110 -8.909 1.00 0.00 H new ATOM 0 H3' DT A 1 7.836 2.227 -6.417 1.00 0.00 H new ATOM 0 H2' DT A 1 9.010 4.311 -6.900 1.00 0.00 H new ATOM 0 H2'' DT A 1 10.268 3.323 -6.185 1.00 0.00 H new ATOM 0 H1' DT A 1 11.166 2.680 -8.330 1.00 0.00 H new ATOM 0 H3 DT A 1 13.517 6.439 -8.817 1.00 0.00 H new ATOM 0 H71 DT A 1 8.438 7.465 -10.340 1.00 0.00 H new ATOM 0 H72 DT A 1 8.873 8.462 -8.932 1.00 0.00 H new ATOM 0 H73 DT A 1 9.719 8.692 -10.481 1.00 0.00 H new ATOM 0 H6 DT A 1 8.830 5.420 -9.214 1.00 0.00 H new ATOM 33 P DG A 2 9.864 0.635 -5.344 1.00 0.00 P ATOM 34 OP1 DG A 2 11.129 1.342 -5.076 1.00 0.00 O ATOM 35 OP2 DG A 2 9.792 -0.833 -5.110 1.00 0.00 O ATOM 36 O5' DG A 2 8.690 1.310 -4.483 1.00 0.00 O ATOM 37 C5' DG A 2 8.932 2.105 -3.340 1.00 0.00 C ATOM 38 C4' DG A 2 8.376 1.408 -2.107 1.00 0.00 C ATOM 39 O4' DG A 2 6.985 1.623 -2.117 1.00 0.00 O ATOM 40 C3' DG A 2 8.648 -0.088 -2.096 1.00 0.00 C ATOM 41 O3' DG A 2 8.979 -0.456 -0.782 1.00 0.00 O ATOM 42 C2' DG A 2 7.341 -0.684 -2.618 1.00 0.00 C ATOM 43 C1' DG A 2 6.314 0.412 -2.334 1.00 0.00 C ATOM 44 N9 DG A 2 5.346 0.593 -3.426 1.00 0.00 N ATOM 45 C8 DG A 2 5.532 0.646 -4.787 1.00 0.00 C ATOM 46 N7 DG A 2 4.442 0.922 -5.456 1.00 0.00 N ATOM 47 C5 DG A 2 3.478 1.083 -4.456 1.00 0.00 C ATOM 48 C6 DG A 2 2.110 1.474 -4.523 1.00 0.00 C ATOM 49 O6 DG A 2 1.485 1.795 -5.531 1.00 0.00 O ATOM 50 N1 DG A 2 1.492 1.539 -3.295 1.00 0.00 N ATOM 51 C2 DG A 2 2.135 1.300 -2.121 1.00 0.00 C ATOM 52 N2 DG A 2 1.445 1.417 -1.017 1.00 0.00 N ATOM 53 N3 DG A 2 3.417 0.983 -2.019 1.00 0.00 N ATOM 54 C4 DG A 2 4.028 0.891 -3.221 1.00 0.00 C ATOM 0 H5' DG A 2 8.465 3.083 -3.459 1.00 0.00 H new ATOM 0 H5'' DG A 2 10.002 2.275 -3.223 1.00 0.00 H new ATOM 0 H4' DG A 2 8.862 1.816 -1.221 1.00 0.00 H new ATOM 0 H3' DG A 2 9.481 -0.434 -2.708 1.00 0.00 H new ATOM 0 H2' DG A 2 7.400 -0.913 -3.682 1.00 0.00 H new ATOM 0 H2'' DG A 2 7.090 -1.613 -2.106 1.00 0.00 H new ATOM 0 H1' DG A 2 5.753 0.104 -1.452 1.00 0.00 H new ATOM 0 H8 DG A 2 6.488 0.476 -5.260 1.00 0.00 H new ATOM 0 H1 DG A 2 0.501 1.779 -3.264 1.00 0.00 H new ATOM 0 H21 DG A 2 1.891 1.246 -0.116 1.00 0.00 H new ATOM 0 H22 DG A 2 0.460 1.679 -1.057 1.00 0.00 H new ATOM 66 P DC A 3 9.346 -1.954 -0.434 1.00 0.00 P ATOM 67 OP1 DC A 3 10.061 -1.875 0.867 1.00 0.00 O ATOM 68 OP2 DC A 3 9.969 -2.584 -1.620 1.00 0.00 O ATOM 69 O5' DC A 3 7.928 -2.585 -0.132 1.00 0.00 O ATOM 70 C5' DC A 3 7.122 -1.980 0.859 1.00 0.00 C ATOM 71 C4' DC A 3 5.694 -2.478 0.905 1.00 0.00 C ATOM 72 O4' DC A 3 5.045 -1.885 -0.187 1.00 0.00 O ATOM 73 C3' DC A 3 5.542 -3.991 0.747 1.00 0.00 C ATOM 74 O3' DC A 3 5.218 -4.622 1.960 1.00 0.00 O ATOM 75 C2' DC A 3 4.343 -4.100 -0.171 1.00 0.00 C ATOM 76 C1' DC A 3 3.913 -2.659 -0.412 1.00 0.00 C ATOM 77 N1 DC A 3 3.526 -2.445 -1.809 1.00 0.00 N ATOM 78 C2 DC A 3 2.283 -1.924 -2.070 1.00 0.00 C ATOM 79 O2 DC A 3 1.573 -1.548 -1.149 1.00 0.00 O ATOM 80 N3 DC A 3 1.847 -1.818 -3.349 1.00 0.00 N ATOM 81 C4 DC A 3 2.648 -2.217 -4.323 1.00 0.00 C ATOM 82 N4 DC A 3 2.165 -2.095 -5.536 1.00 0.00 N ATOM 83 C5 DC A 3 3.967 -2.707 -4.094 1.00 0.00 C ATOM 84 C6 DC A 3 4.366 -2.787 -2.818 1.00 0.00 C ATOM 0 H5' DC A 3 7.111 -0.903 0.691 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.582 -2.146 1.833 1.00 0.00 H new ATOM 0 H4' DC A 3 5.285 -2.224 1.883 1.00 0.00 H new ATOM 0 H3' DC A 3 6.460 -4.457 0.389 1.00 0.00 H new ATOM 0 H2' DC A 3 4.603 -4.598 -1.105 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.543 -4.681 0.288 1.00 0.00 H new ATOM 0 H1' DC A 3 3.068 -2.412 0.231 1.00 0.00 H new ATOM 0 H41 DC A 3 2.725 -2.382 -6.339 1.00 0.00 H new ATOM 0 H42 DC A 3 1.230 -1.713 -5.676 1.00 0.00 H new ATOM 0 H5 DC A 3 4.613 -2.999 -4.909 1.00 0.00 H new ATOM 0 H6 DC A 3 5.366 -3.127 -2.590 1.00 0.00 H new ATOM 96 P DT A 4 6.352 -5.240 2.901 1.00 0.00 P ATOM 97 OP1 DT A 4 7.551 -4.361 2.866 1.00 0.00 O ATOM 98 OP2 DT A 4 6.503 -6.666 2.564 1.00 0.00 O ATOM 99 O5' DT A 4 5.660 -5.114 4.340 1.00 0.00 O ATOM 100 C5' DT A 4 5.618 -3.887 5.036 1.00 0.00 C ATOM 101 C4' DT A 4 4.770 -3.985 6.322 1.00 0.00 C ATOM 102 O4' DT A 4 3.395 -3.746 6.048 1.00 0.00 O ATOM 103 C3' DT A 4 4.856 -5.367 7.012 1.00 0.00 C ATOM 104 O3' DT A 4 4.575 -5.448 8.404 1.00 0.00 O ATOM 105 C2' DT A 4 3.673 -6.085 6.370 1.00 0.00 C ATOM 106 C1' DT A 4 2.668 -4.937 6.304 1.00 0.00 C ATOM 107 N1 DT A 4 1.618 -5.119 5.277 1.00 0.00 N ATOM 108 C2 DT A 4 0.403 -5.641 5.694 1.00 0.00 C ATOM 109 O2 DT A 4 0.176 -5.996 6.843 1.00 0.00 O ATOM 110 N3 DT A 4 -0.589 -5.735 4.754 1.00 0.00 N ATOM 111 C4 DT A 4 -0.491 -5.338 3.445 1.00 0.00 C ATOM 112 O4 DT A 4 -1.475 -5.445 2.724 1.00 0.00 O ATOM 113 C5 DT A 4 0.805 -4.800 3.066 1.00 0.00 C ATOM 114 C7 DT A 4 1.046 -4.334 1.641 1.00 0.00 C ATOM 115 C6 DT A 4 1.806 -4.712 3.977 1.00 0.00 C ATOM 0 H5' DT A 4 5.205 -3.115 4.387 1.00 0.00 H new ATOM 0 H5'' DT A 4 6.632 -3.580 5.292 1.00 0.00 H new ATOM 0 H4' DT A 4 5.185 -3.227 6.986 1.00 0.00 H new ATOM 0 H3' DT A 4 5.878 -5.730 6.901 1.00 0.00 H new ATOM 0 H2' DT A 4 3.913 -6.485 5.385 1.00 0.00 H new ATOM 0 H2'' DT A 4 3.314 -6.918 6.974 1.00 0.00 H new ATOM 0 H1' DT A 4 2.140 -4.897 7.257 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.478 -6.135 5.054 1.00 0.00 H new ATOM 0 H71 DT A 4 1.780 -3.528 1.641 1.00 0.00 H new ATOM 0 H72 DT A 4 1.421 -5.166 1.045 1.00 0.00 H new ATOM 0 H73 DT A 4 0.111 -3.973 1.213 1.00 0.00 H new ATOM 0 H6 DT A 4 2.765 -4.316 3.677 1.00 0.00 H new ATOM 128 P DC A 5 4.800 -4.258 9.442 1.00 0.00 P ATOM 129 OP1 DC A 5 4.879 -4.806 10.815 1.00 0.00 O ATOM 130 OP2 DC A 5 3.852 -3.167 9.129 1.00 0.00 O ATOM 131 O5' DC A 5 6.285 -3.742 9.189 1.00 0.00 O ATOM 132 C5' DC A 5 6.680 -2.463 9.642 1.00 0.00 C ATOM 133 C4' DC A 5 8.208 -2.412 9.710 1.00 0.00 C ATOM 134 O4' DC A 5 8.726 -3.515 10.449 1.00 0.00 O ATOM 135 C3' DC A 5 8.841 -2.465 8.312 1.00 0.00 C ATOM 136 O3' DC A 5 9.527 -1.273 7.990 1.00 0.00 O ATOM 137 C2' DC A 5 9.860 -3.591 8.439 1.00 0.00 C ATOM 138 C1' DC A 5 10.035 -3.709 9.947 1.00 0.00 C ATOM 139 N1 DC A 5 10.553 -5.046 10.324 1.00 0.00 N ATOM 140 C2 DC A 5 11.838 -5.135 10.847 1.00 0.00 C ATOM 141 O2 DC A 5 12.526 -4.134 10.996 1.00 0.00 O ATOM 142 N3 DC A 5 12.327 -6.347 11.198 1.00 0.00 N ATOM 143 C4 DC A 5 11.593 -7.427 11.027 1.00 0.00 C ATOM 144 N4 DC A 5 12.136 -8.567 11.388 1.00 0.00 N ATOM 145 C5 DC A 5 10.282 -7.388 10.481 1.00 0.00 C ATOM 146 C6 DC A 5 9.803 -6.174 10.137 1.00 0.00 C ATOM 0 H5' DC A 5 6.252 -2.262 10.624 1.00 0.00 H new ATOM 0 H5'' DC A 5 6.307 -1.692 8.968 1.00 0.00 H new ATOM 0 H4' DC A 5 8.457 -1.470 10.198 1.00 0.00 H new ATOM 0 H3' DC A 5 8.089 -2.606 7.536 1.00 0.00 H new ATOM 0 H2' DC A 5 9.496 -4.519 7.999 1.00 0.00 H new ATOM 0 H2'' DC A 5 10.798 -3.348 7.939 1.00 0.00 H new ATOM 0 H1' DC A 5 10.754 -2.993 10.344 1.00 0.00 H new ATOM 0 H41 DC A 5 11.615 -9.437 11.279 1.00 0.00 H new ATOM 0 H42 DC A 5 13.079 -8.582 11.777 1.00 0.00 H new ATOM 0 H5 DC A 5 9.697 -8.286 10.348 1.00 0.00 H new ATOM 0 H6 DC A 5 8.815 -6.092 9.709 1.00 0.00 H new ATOM 158 P DG A 6 8.704 0.034 7.565 1.00 0.00 P ATOM 159 OP1 DG A 6 9.624 1.060 7.003 1.00 0.00 O ATOM 160 OP2 DG A 6 7.779 0.398 8.652 1.00 0.00 O ATOM 161 O5' DG A 6 7.836 -0.548 6.353 1.00 0.00 O ATOM 162 C5' DG A 6 8.450 -1.179 5.244 1.00 0.00 C ATOM 163 C4' DG A 6 7.909 -0.570 3.958 1.00 0.00 C ATOM 164 O4' DG A 6 6.562 -0.953 3.816 1.00 0.00 O ATOM 165 C3' DG A 6 8.003 0.944 3.985 1.00 0.00 C ATOM 166 O3' DG A 6 8.586 1.327 2.771 1.00 0.00 O ATOM 167 C2' DG A 6 6.569 1.401 4.169 1.00 0.00 C ATOM 168 C1' DG A 6 5.748 0.189 3.733 1.00 0.00 C ATOM 169 N9 DG A 6 4.600 -0.041 4.617 1.00 0.00 N ATOM 170 C8 DG A 6 4.558 -0.080 5.988 1.00 0.00 C ATOM 171 N7 DG A 6 3.413 -0.491 6.467 1.00 0.00 N ATOM 172 C5 DG A 6 2.654 -0.745 5.321 1.00 0.00 C ATOM 173 C6 DG A 6 1.349 -1.292 5.162 1.00 0.00 C ATOM 174 O6 DG A 6 0.634 -1.758 6.047 1.00 0.00 O ATOM 175 N1 DG A 6 0.927 -1.335 3.853 1.00 0.00 N ATOM 176 C2 DG A 6 1.717 -0.995 2.799 1.00 0.00 C ATOM 177 N2 DG A 6 1.198 -1.102 1.603 1.00 0.00 N ATOM 178 N3 DG A 6 2.973 -0.585 2.906 1.00 0.00 N ATOM 179 C4 DG A 6 3.373 -0.465 4.192 1.00 0.00 C ATOM 0 H5' DG A 6 8.252 -2.251 5.264 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.532 -1.054 5.292 1.00 0.00 H new ATOM 0 H4' DG A 6 8.504 -0.929 3.118 1.00 0.00 H new ATOM 0 H3' DG A 6 8.614 1.381 4.774 1.00 0.00 H new ATOM 0 H2' DG A 6 6.364 1.673 5.205 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.346 2.277 3.560 1.00 0.00 H new ATOM 0 H1' DG A 6 5.391 0.377 2.721 1.00 0.00 H new ATOM 0 H8 DG A 6 5.392 0.202 6.613 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.028 -1.638 3.663 1.00 0.00 H new ATOM 0 H21 DG A 6 1.753 -0.858 0.783 1.00 0.00 H new ATOM 0 H22 DG A 6 0.238 -1.429 1.491 1.00 0.00 H new ATOM 191 P DC A 7 9.045 2.820 2.515 1.00 0.00 P ATOM 192 OP1 DC A 7 10.070 2.630 1.464 1.00 0.00 O ATOM 193 OP2 DC A 7 9.399 3.401 3.836 1.00 0.00 O ATOM 194 O5' DC A 7 7.699 3.439 1.907 1.00 0.00 O ATOM 195 C5' DC A 7 7.189 2.897 0.699 1.00 0.00 C ATOM 196 C4' DC A 7 5.722 3.198 0.401 1.00 0.00 C ATOM 197 O4' DC A 7 4.970 2.517 1.376 1.00 0.00 O ATOM 198 C3' DC A 7 5.332 4.673 0.497 1.00 0.00 C ATOM 199 O3' DC A 7 5.040 5.252 -0.752 1.00 0.00 O ATOM 200 C2' DC A 7 4.012 4.629 1.233 1.00 0.00 C ATOM 201 C1' DC A 7 3.725 3.142 1.399 1.00 0.00 C ATOM 202 N1 DC A 7 3.106 2.881 2.704 1.00 0.00 N ATOM 203 C2 DC A 7 1.874 2.274 2.746 1.00 0.00 C ATOM 204 O2 DC A 7 1.361 1.872 1.711 1.00 0.00 O ATOM 205 N3 DC A 7 1.231 2.114 3.931 1.00 0.00 N ATOM 206 C4 DC A 7 1.811 2.575 5.030 1.00 0.00 C ATOM 207 N4 DC A 7 1.165 2.384 6.157 1.00 0.00 N ATOM 208 C5 DC A 7 3.082 3.221 5.022 1.00 0.00 C ATOM 209 C6 DC A 7 3.695 3.335 3.838 1.00 0.00 C ATOM 0 H5' DC A 7 7.320 1.815 0.725 1.00 0.00 H new ATOM 0 H5'' DC A 7 7.792 3.272 -0.128 1.00 0.00 H new ATOM 0 H4' DC A 7 5.537 2.891 -0.628 1.00 0.00 H new ATOM 0 H3' DC A 7 6.141 5.244 0.952 1.00 0.00 H new ATOM 0 H2' DC A 7 4.077 5.132 2.198 1.00 0.00 H new ATOM 0 H2'' DC A 7 3.224 5.126 0.667 1.00 0.00 H new ATOM 0 H1' DC A 7 3.051 2.785 0.620 1.00 0.00 H new ATOM 0 H41 DC A 7 1.562 2.717 7.035 1.00 0.00 H new ATOM 0 H42 DC A 7 0.266 1.903 6.154 1.00 0.00 H new ATOM 0 H5 DC A 7 3.529 3.601 5.929 1.00 0.00 H new ATOM 0 H6 DC A 7 4.671 3.794 3.785 1.00 0.00 H new ATOM 221 P DT A 8 6.165 5.892 -1.672 1.00 0.00 P ATOM 222 OP1 DT A 8 7.439 5.167 -1.508 1.00 0.00 O ATOM 223 OP2 DT A 8 6.288 7.334 -1.374 1.00 0.00 O ATOM 224 O5' DT A 8 5.633 5.678 -3.155 1.00 0.00 O ATOM 225 C5' DT A 8 5.982 4.517 -3.880 1.00 0.00 C ATOM 226 C4' DT A 8 5.284 4.491 -5.249 1.00 0.00 C ATOM 227 O4' DT A 8 3.931 4.061 -5.124 1.00 0.00 O ATOM 228 C3' DT A 8 5.286 5.880 -5.925 1.00 0.00 C ATOM 229 O3' DT A 8 5.550 5.996 -7.318 1.00 0.00 O ATOM 230 C2' DT A 8 3.888 6.381 -5.608 1.00 0.00 C ATOM 231 C1' DT A 8 3.066 5.103 -5.549 1.00 0.00 C ATOM 232 N1 DT A 8 1.904 5.220 -4.642 1.00 0.00 N ATOM 233 C2 DT A 8 0.701 5.621 -5.206 1.00 0.00 C ATOM 234 O2 DT A 8 0.561 5.899 -6.389 1.00 0.00 O ATOM 235 N3 DT A 8 -0.384 5.689 -4.375 1.00 0.00 N ATOM 236 C4 DT A 8 -0.385 5.374 -3.042 1.00 0.00 C ATOM 237 O4 DT A 8 -1.442 5.444 -2.427 1.00 0.00 O ATOM 238 C5 DT A 8 0.902 4.960 -2.508 1.00 0.00 C ATOM 239 C7 DT A 8 1.015 4.564 -1.048 1.00 0.00 C ATOM 240 C6 DT A 8 1.996 4.903 -3.308 1.00 0.00 C ATOM 0 H5' DT A 8 5.704 3.631 -3.310 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.063 4.482 -4.018 1.00 0.00 H new ATOM 0 H4' DT A 8 5.847 3.791 -5.866 1.00 0.00 H new ATOM 0 H3' DT A 8 6.136 6.443 -5.541 1.00 0.00 H new ATOM 0 H2' DT A 8 3.859 6.922 -4.662 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.520 7.061 -6.376 1.00 0.00 H new ATOM 0 H1' DT A 8 2.655 4.894 -6.536 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.266 6.000 -4.782 1.00 0.00 H new ATOM 0 H71 DT A 8 1.805 3.822 -0.932 1.00 0.00 H new ATOM 0 H72 DT A 8 1.253 5.444 -0.450 1.00 0.00 H new ATOM 0 H73 DT A 8 0.068 4.141 -0.711 1.00 0.00 H new ATOM 0 H6 DT A 8 2.948 4.606 -2.893 1.00 0.00 H new TER 253 DT A 8 ATOM 254 P DT B 1 -3.998 -3.932 -9.460 1.00 0.00 P ATOM 255 OP1 DT B 1 -3.872 -4.410 -10.848 1.00 0.00 O ATOM 256 OP2 DT B 1 -2.935 -3.079 -8.878 1.00 0.00 O ATOM 257 O5' DT B 1 -5.346 -3.093 -9.363 1.00 0.00 O ATOM 258 C5' DT B 1 -5.484 -1.870 -10.054 1.00 0.00 C ATOM 259 C4' DT B 1 -6.883 -1.286 -9.806 1.00 0.00 C ATOM 260 O4' DT B 1 -7.831 -1.984 -10.613 1.00 0.00 O ATOM 261 C3' DT B 1 -7.390 -1.397 -8.360 1.00 0.00 C ATOM 262 O3' DT B 1 -8.224 -0.277 -8.126 1.00 0.00 O ATOM 263 C2' DT B 1 -8.186 -2.691 -8.411 1.00 0.00 C ATOM 264 C1' DT B 1 -8.828 -2.546 -9.775 1.00 0.00 C ATOM 265 N1 DT B 1 -9.261 -3.884 -10.224 1.00 0.00 N ATOM 266 C2 DT B 1 -10.548 -4.271 -9.896 1.00 0.00 C ATOM 267 O2 DT B 1 -11.326 -3.564 -9.255 1.00 0.00 O ATOM 268 N3 DT B 1 -10.935 -5.526 -10.288 1.00 0.00 N ATOM 269 C4 DT B 1 -10.126 -6.455 -10.898 1.00 0.00 C ATOM 270 O4 DT B 1 -10.612 -7.537 -11.203 1.00 0.00 O ATOM 271 C5 DT B 1 -8.746 -6.035 -11.095 1.00 0.00 C ATOM 272 C7 DT B 1 -7.714 -6.991 -11.680 1.00 0.00 C ATOM 273 C6 DT B 1 -8.365 -4.777 -10.759 1.00 0.00 C ATOM 0 H5' DT B 1 -5.329 -2.026 -11.122 1.00 0.00 H new ATOM 0 H5'' DT B 1 -4.722 -1.166 -9.721 1.00 0.00 H new ATOM 0 H4' DT B 1 -6.789 -0.227 -10.047 1.00 0.00 H new ATOM 0 H3' DT B 1 -6.632 -1.409 -7.576 1.00 0.00 H new ATOM 0 H2' DT B 1 -7.552 -3.574 -8.340 1.00 0.00 H new ATOM 0 H2'' DT B 1 -8.921 -2.761 -7.609 1.00 0.00 H new ATOM 0 H1' DT B 1 -9.710 -1.905 -9.781 1.00 0.00 H new ATOM 0 H3 DT B 1 -11.904 -5.793 -10.113 1.00 0.00 H new ATOM 0 H71 DT B 1 -6.962 -6.424 -12.229 1.00 0.00 H new ATOM 0 H72 DT B 1 -7.233 -7.545 -10.874 1.00 0.00 H new ATOM 0 H73 DT B 1 -8.207 -7.689 -12.357 1.00 0.00 H new ATOM 0 H6 DT B 1 -7.340 -4.473 -10.915 1.00 0.00 H new ATOM 286 P DG B 2 -8.998 -0.087 -6.749 1.00 0.00 P ATOM 287 OP1 DG B 2 -10.209 -0.945 -6.782 1.00 0.00 O ATOM 288 OP2 DG B 2 -9.140 1.365 -6.478 1.00 0.00 O ATOM 289 O5' DG B 2 -7.930 -0.690 -5.715 1.00 0.00 O ATOM 290 C5' DG B 2 -8.295 -1.499 -4.614 1.00 0.00 C ATOM 291 C4' DG B 2 -7.923 -0.827 -3.295 1.00 0.00 C ATOM 292 O4' DG B 2 -6.554 -1.113 -3.127 1.00 0.00 O ATOM 293 C3' DG B 2 -8.138 0.686 -3.303 1.00 0.00 C ATOM 294 O3' DG B 2 -8.722 1.122 -2.095 1.00 0.00 O ATOM 295 C2' DG B 2 -6.732 1.218 -3.579 1.00 0.00 C ATOM 296 C1' DG B 2 -5.802 0.065 -3.198 1.00 0.00 C ATOM 297 N9 DG B 2 -4.692 -0.107 -4.149 1.00 0.00 N ATOM 298 C8 DG B 2 -4.680 -0.071 -5.525 1.00 0.00 C ATOM 299 N7 DG B 2 -3.508 -0.330 -6.048 1.00 0.00 N ATOM 300 C5 DG B 2 -2.698 -0.565 -4.931 1.00 0.00 C ATOM 301 C6 DG B 2 -1.330 -0.954 -4.825 1.00 0.00 C ATOM 302 O6 DG B 2 -0.567 -1.220 -5.750 1.00 0.00 O ATOM 303 N1 DG B 2 -0.889 -1.078 -3.529 1.00 0.00 N ATOM 304 C2 DG B 2 -1.691 -0.894 -2.446 1.00 0.00 C ATOM 305 N2 DG B 2 -1.159 -1.062 -1.264 1.00 0.00 N ATOM 306 N3 DG B 2 -2.976 -0.583 -2.508 1.00 0.00 N ATOM 307 C4 DG B 2 -3.417 -0.431 -3.777 1.00 0.00 C ATOM 0 H5' DG B 2 -7.797 -2.466 -4.687 1.00 0.00 H new ATOM 0 H5'' DG B 2 -9.368 -1.691 -4.639 1.00 0.00 H new ATOM 0 H4' DG B 2 -8.555 -1.200 -2.489 1.00 0.00 H new ATOM 0 H3' DG B 2 -8.845 1.050 -4.048 1.00 0.00 H new ATOM 0 H2' DG B 2 -6.611 1.495 -4.626 1.00 0.00 H new ATOM 0 H2'' DG B 2 -6.522 2.109 -2.987 1.00 0.00 H new ATOM 0 H1' DG B 2 -5.355 0.299 -2.232 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.555 0.150 -6.118 1.00 0.00 H new ATOM 0 H1 DG B 2 0.089 -1.320 -3.372 1.00 0.00 H new ATOM 0 H21 DG B 2 -1.727 -0.933 -0.426 1.00 0.00 H new ATOM 0 H22 DG B 2 -0.176 -1.322 -1.179 1.00 0.00 H new ATOM 319 P DC B 3 -9.009 2.674 -1.841 1.00 0.00 P ATOM 320 OP1 DC B 3 -10.001 2.864 -0.758 1.00 0.00 O ATOM 321 OP2 DC B 3 -9.196 3.338 -3.155 1.00 0.00 O ATOM 322 O5' DC B 3 -7.621 3.128 -1.221 1.00 0.00 O ATOM 323 C5' DC B 3 -7.104 2.423 -0.109 1.00 0.00 C ATOM 324 C4' DC B 3 -5.672 2.809 0.201 1.00 0.00 C ATOM 325 O4' DC B 3 -4.883 2.276 -0.830 1.00 0.00 O ATOM 326 C3' DC B 3 -5.430 4.319 0.217 1.00 0.00 C ATOM 327 O3' DC B 3 -5.264 4.820 1.522 1.00 0.00 O ATOM 328 C2' DC B 3 -4.104 4.437 -0.504 1.00 0.00 C ATOM 329 C1' DC B 3 -3.697 2.999 -0.803 1.00 0.00 C ATOM 330 N1 DC B 3 -3.105 2.875 -2.135 1.00 0.00 N ATOM 331 C2 DC B 3 -1.849 2.332 -2.249 1.00 0.00 C ATOM 332 O2 DC B 3 -1.280 1.891 -1.260 1.00 0.00 O ATOM 333 N3 DC B 3 -1.242 2.282 -3.460 1.00 0.00 N ATOM 334 C4 DC B 3 -1.887 2.754 -4.512 1.00 0.00 C ATOM 335 N4 DC B 3 -1.241 2.691 -5.651 1.00 0.00 N ATOM 336 C5 DC B 3 -3.209 3.283 -4.440 1.00 0.00 C ATOM 337 C6 DC B 3 -3.780 3.309 -3.228 1.00 0.00 C ATOM 0 H5' DC B 3 -7.155 1.352 -0.305 1.00 0.00 H new ATOM 0 H5'' DC B 3 -7.728 2.618 0.764 1.00 0.00 H new ATOM 0 H4' DC B 3 -5.432 2.431 1.195 1.00 0.00 H new ATOM 0 H3' DC B 3 -6.262 4.870 -0.221 1.00 0.00 H new ATOM 0 H2' DC B 3 -4.202 5.020 -1.420 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.360 4.939 0.115 1.00 0.00 H new ATOM 0 H1' DC B 3 -2.974 2.657 -0.062 1.00 0.00 H new ATOM 0 H41 DC B 3 -1.678 3.037 -6.505 1.00 0.00 H new ATOM 0 H42 DC B 3 -0.301 2.296 -5.683 1.00 0.00 H new ATOM 0 H5 DC B 3 -3.724 3.644 -5.318 1.00 0.00 H new ATOM 0 H6 DC B 3 -4.789 3.680 -3.121 1.00 0.00 H new ATOM 349 P DT B 4 -6.495 5.431 2.342 1.00 0.00 P ATOM 350 OP1 DT B 4 -7.746 4.734 1.948 1.00 0.00 O ATOM 351 OP2 DT B 4 -6.434 6.900 2.244 1.00 0.00 O ATOM 352 O5' DT B 4 -6.138 5.005 3.843 1.00 0.00 O ATOM 353 C5' DT B 4 -6.292 3.676 4.295 1.00 0.00 C ATOM 354 C4' DT B 4 -5.701 3.511 5.707 1.00 0.00 C ATOM 355 O4' DT B 4 -4.312 3.267 5.588 1.00 0.00 O ATOM 356 C3' DT B 4 -5.868 4.716 6.655 1.00 0.00 C ATOM 357 O3' DT B 4 -5.742 4.416 8.040 1.00 0.00 O ATOM 358 C2' DT B 4 -4.579 5.475 6.370 1.00 0.00 C ATOM 359 C1' DT B 4 -3.604 4.308 6.223 1.00 0.00 C ATOM 360 N1 DT B 4 -2.402 4.657 5.441 1.00 0.00 N ATOM 361 C2 DT B 4 -1.298 5.104 6.145 1.00 0.00 C ATOM 362 O2 DT B 4 -1.306 5.298 7.356 1.00 0.00 O ATOM 363 N3 DT B 4 -0.155 5.336 5.422 1.00 0.00 N ATOM 364 C4 DT B 4 -0.011 5.141 4.070 1.00 0.00 C ATOM 365 O4 DT B 4 1.084 5.349 3.561 1.00 0.00 O ATOM 366 C5 DT B 4 -1.211 4.686 3.385 1.00 0.00 C ATOM 367 C7 DT B 4 -1.193 4.428 1.888 1.00 0.00 C ATOM 368 C6 DT B 4 -2.353 4.470 4.081 1.00 0.00 C ATOM 0 H5' DT B 4 -5.797 2.992 3.606 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.349 3.410 4.304 1.00 0.00 H new ATOM 0 H4' DT B 4 -6.263 2.689 6.151 1.00 0.00 H new ATOM 0 H3' DT B 4 -6.843 5.177 6.495 1.00 0.00 H new ATOM 0 H2' DT B 4 -4.644 6.079 5.465 1.00 0.00 H new ATOM 0 H2'' DT B 4 -4.304 6.147 7.183 1.00 0.00 H new ATOM 0 H1' DT B 4 -3.241 4.016 7.208 1.00 0.00 H new ATOM 0 H3 DT B 4 0.657 5.683 5.932 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.911 3.644 1.645 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.461 5.342 1.358 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.195 4.112 1.585 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.240 4.145 3.558 1.00 0.00 H new ATOM 381 P DC B 5 -6.766 3.527 8.911 1.00 0.00 P ATOM 382 OP1 DC B 5 -6.103 3.571 10.232 1.00 0.00 O ATOM 383 OP2 DC B 5 -6.958 2.217 8.260 1.00 0.00 O ATOM 384 O5' DC B 5 -8.161 4.302 9.033 1.00 0.00 O ATOM 385 C5' DC B 5 -9.179 4.233 8.052 1.00 0.00 C ATOM 386 C4' DC B 5 -9.949 2.892 8.008 1.00 0.00 C ATOM 387 O4' DC B 5 -11.343 3.153 8.037 1.00 0.00 O ATOM 388 C3' DC B 5 -9.757 2.212 6.649 1.00 0.00 C ATOM 389 O3' DC B 5 -10.214 0.870 6.596 1.00 0.00 O ATOM 390 C2' DC B 5 -10.686 3.050 5.771 1.00 0.00 C ATOM 391 C1' DC B 5 -11.708 3.633 6.756 1.00 0.00 C ATOM 392 N1 DC B 5 -13.101 3.241 6.442 1.00 0.00 N ATOM 393 C2 DC B 5 -14.072 4.231 6.356 1.00 0.00 C ATOM 394 O2 DC B 5 -13.787 5.413 6.516 1.00 0.00 O ATOM 395 N3 DC B 5 -15.352 3.885 6.082 1.00 0.00 N ATOM 396 C4 DC B 5 -15.662 2.616 5.912 1.00 0.00 C ATOM 397 N4 DC B 5 -16.921 2.357 5.642 1.00 0.00 N ATOM 398 C5 DC B 5 -14.709 1.567 6.004 1.00 0.00 C ATOM 399 C6 DC B 5 -13.437 1.928 6.276 1.00 0.00 C ATOM 0 H5' DC B 5 -8.734 4.412 7.073 1.00 0.00 H new ATOM 0 H5'' DC B 5 -9.891 5.039 8.230 1.00 0.00 H new ATOM 0 H4' DC B 5 -9.591 2.288 8.842 1.00 0.00 H new ATOM 0 H3' DC B 5 -8.703 2.166 6.374 1.00 0.00 H new ATOM 0 H2' DC B 5 -10.140 3.837 5.251 1.00 0.00 H new ATOM 0 H2'' DC B 5 -11.171 2.441 5.008 1.00 0.00 H new ATOM 0 H1' DC B 5 -11.689 4.721 6.700 1.00 0.00 H new ATOM 0 H41 DC B 5 -17.224 1.394 5.500 1.00 0.00 H new ATOM 0 H42 DC B 5 -17.595 3.119 5.575 1.00 0.00 H new ATOM 0 H5 DC B 5 -14.988 0.533 5.863 1.00 0.00 H new ATOM 0 H6 DC B 5 -12.675 1.168 6.364 1.00 0.00 H new ATOM 411 P DG B 6 -9.271 -0.303 6.035 1.00 0.00 P ATOM 412 OP1 DG B 6 -10.085 -1.390 5.426 1.00 0.00 O ATOM 413 OP2 DG B 6 -8.270 -0.645 7.073 1.00 0.00 O ATOM 414 O5' DG B 6 -8.437 0.385 4.852 1.00 0.00 O ATOM 415 C5' DG B 6 -9.041 0.971 3.714 1.00 0.00 C ATOM 416 C4' DG B 6 -8.371 0.446 2.444 1.00 0.00 C ATOM 417 O4' DG B 6 -7.018 0.856 2.500 1.00 0.00 O ATOM 418 C3' DG B 6 -8.445 -1.077 2.398 1.00 0.00 C ATOM 419 O3' DG B 6 -8.900 -1.556 1.150 1.00 0.00 O ATOM 420 C2' DG B 6 -7.040 -1.509 2.809 1.00 0.00 C ATOM 421 C1' DG B 6 -6.172 -0.263 2.618 1.00 0.00 C ATOM 422 N9 DG B 6 -5.224 -0.070 3.729 1.00 0.00 N ATOM 423 C8 DG B 6 -5.404 -0.254 5.071 1.00 0.00 C ATOM 424 N7 DG B 6 -4.366 0.035 5.808 1.00 0.00 N ATOM 425 C5 DG B 6 -3.409 0.437 4.859 1.00 0.00 C ATOM 426 C6 DG B 6 -2.053 0.883 4.987 1.00 0.00 C ATOM 427 O6 DG B 6 -1.391 1.069 6.004 1.00 0.00 O ATOM 428 N1 DG B 6 -1.444 1.134 3.774 1.00 0.00 N ATOM 429 C2 DG B 6 -2.060 0.996 2.574 1.00 0.00 C ATOM 430 N2 DG B 6 -1.343 1.225 1.502 1.00 0.00 N ATOM 431 N3 DG B 6 -3.321 0.629 2.418 1.00 0.00 N ATOM 432 C4 DG B 6 -3.935 0.365 3.595 1.00 0.00 C ATOM 0 H5' DG B 6 -8.951 2.056 3.762 1.00 0.00 H new ATOM 0 H5'' DG B 6 -10.106 0.740 3.697 1.00 0.00 H new ATOM 0 H4' DG B 6 -8.868 0.833 1.554 1.00 0.00 H new ATOM 0 H3' DG B 6 -9.188 -1.509 3.069 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.019 -1.850 3.844 1.00 0.00 H new ATOM 0 H2'' DG B 6 -6.685 -2.336 2.193 1.00 0.00 H new ATOM 0 H1' DG B 6 -5.576 -0.390 1.714 1.00 0.00 H new ATOM 0 H8 DG B 6 -6.333 -0.611 5.490 1.00 0.00 H new ATOM 0 H1 DG B 6 -0.472 1.442 3.781 1.00 0.00 H new ATOM 0 H21 DG B 6 -1.764 1.133 0.578 1.00 0.00 H new ATOM 0 H22 DG B 6 -0.363 1.495 1.592 1.00 0.00 H new ATOM 444 P DC B 7 -9.051 -3.128 0.908 1.00 0.00 P ATOM 445 OP1 DC B 7 -9.883 -3.419 -0.284 1.00 0.00 O ATOM 446 OP2 DC B 7 -9.372 -3.748 2.221 1.00 0.00 O ATOM 447 O5' DC B 7 -7.573 -3.498 0.451 1.00 0.00 O ATOM 448 C5' DC B 7 -6.977 -2.749 -0.599 1.00 0.00 C ATOM 449 C4' DC B 7 -5.496 -3.025 -0.763 1.00 0.00 C ATOM 450 O4' DC B 7 -4.887 -2.438 0.356 1.00 0.00 O ATOM 451 C3' DC B 7 -5.136 -4.511 -0.747 1.00 0.00 C ATOM 452 O3' DC B 7 -4.746 -4.969 -2.014 1.00 0.00 O ATOM 453 C2' DC B 7 -3.921 -4.548 0.153 1.00 0.00 C ATOM 454 C1' DC B 7 -3.672 -3.089 0.519 1.00 0.00 C ATOM 455 N1 DC B 7 -3.319 -2.954 1.935 1.00 0.00 N ATOM 456 C2 DC B 7 -2.153 -2.310 2.262 1.00 0.00 C ATOM 457 O2 DC B 7 -1.494 -1.763 1.391 1.00 0.00 O ATOM 458 N3 DC B 7 -1.731 -2.282 3.549 1.00 0.00 N ATOM 459 C4 DC B 7 -2.478 -2.866 4.472 1.00 0.00 C ATOM 460 N4 DC B 7 -2.010 -2.827 5.697 1.00 0.00 N ATOM 461 C5 DC B 7 -3.722 -3.494 4.178 1.00 0.00 C ATOM 462 C6 DC B 7 -4.107 -3.500 2.893 1.00 0.00 C ATOM 0 H5' DC B 7 -7.123 -1.686 -0.406 1.00 0.00 H new ATOM 0 H5'' DC B 7 -7.488 -2.977 -1.534 1.00 0.00 H new ATOM 0 H4' DC B 7 -5.172 -2.634 -1.728 1.00 0.00 H new ATOM 0 H3' DC B 7 -5.977 -5.128 -0.430 1.00 0.00 H new ATOM 0 H2' DC B 7 -4.103 -5.154 1.040 1.00 0.00 H new ATOM 0 H2'' DC B 7 -3.061 -4.981 -0.358 1.00 0.00 H new ATOM 0 H1' DC B 7 -2.866 -2.689 -0.096 1.00 0.00 H new ATOM 0 H41 DC B 7 -2.535 -3.258 6.458 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.121 -2.366 5.889 1.00 0.00 H new ATOM 0 H5 DC B 7 -4.326 -3.944 4.952 1.00 0.00 H new ATOM 0 H6 DC B 7 -5.053 -3.944 2.620 1.00 0.00 H new ATOM 474 P DT B 8 -5.800 -5.611 -3.024 1.00 0.00 P ATOM 475 OP1 DT B 8 -7.101 -4.901 -2.896 1.00 0.00 O ATOM 476 OP2 DT B 8 -5.769 -7.072 -2.848 1.00 0.00 O ATOM 477 O5' DT B 8 -5.115 -5.233 -4.420 1.00 0.00 O ATOM 478 C5' DT B 8 -5.293 -3.975 -5.039 1.00 0.00 C ATOM 479 C4' DT B 8 -4.392 -3.866 -6.289 1.00 0.00 C ATOM 480 O4' DT B 8 -3.060 -3.502 -5.935 1.00 0.00 O ATOM 481 C3' DT B 8 -4.317 -5.195 -7.076 1.00 0.00 C ATOM 482 O3' DT B 8 -4.285 -5.194 -8.501 1.00 0.00 O ATOM 483 C2' DT B 8 -3.015 -5.787 -6.557 1.00 0.00 C ATOM 484 C1' DT B 8 -2.172 -4.544 -6.314 1.00 0.00 C ATOM 485 N1 DT B 8 -1.128 -4.744 -5.287 1.00 0.00 N ATOM 486 C2 DT B 8 0.135 -5.117 -5.724 1.00 0.00 C ATOM 487 O2 DT B 8 0.413 -5.344 -6.893 1.00 0.00 O ATOM 488 N3 DT B 8 1.119 -5.208 -4.776 1.00 0.00 N ATOM 489 C4 DT B 8 0.967 -4.945 -3.441 1.00 0.00 C ATOM 490 O4 DT B 8 1.949 -5.024 -2.712 1.00 0.00 O ATOM 491 C5 DT B 8 -0.379 -4.569 -3.040 1.00 0.00 C ATOM 492 C7 DT B 8 -0.667 -4.240 -1.588 1.00 0.00 C ATOM 493 C6 DT B 8 -1.375 -4.489 -3.960 1.00 0.00 C ATOM 0 H5' DT B 8 -5.051 -3.178 -4.336 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.338 -3.845 -5.322 1.00 0.00 H new ATOM 0 H4' DT B 8 -4.847 -3.098 -6.914 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.253 -5.727 -6.907 1.00 0.00 H new ATOM 0 H2' DT B 8 -3.165 -6.362 -5.643 1.00 0.00 H new ATOM 0 H2'' DT B 8 -2.554 -6.456 -7.283 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.633 -4.295 -7.228 1.00 0.00 H new ATOM 0 H3 DT B 8 2.045 -5.497 -5.092 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.477 -3.513 -1.533 1.00 0.00 H new ATOM 0 H72 DT B 8 -0.958 -5.148 -1.060 1.00 0.00 H new ATOM 0 H73 DT B 8 0.227 -3.822 -1.125 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.373 -4.222 -3.645 1.00 0.00 H new TER 506 DT B 8