USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 401 hydrogens (129 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 NoAdj-H: B 26 NBU H41 : B 26 NBU C4 : B 27 CCI CAN :(H bumps) USER MOD NoAdj-H: B 26 NBU H13 : B 26 NBU C1 : B 25 CCI O4D :(H bumps) USER MOD NoAdj-H: B 27 CCIHAN1 : B 27 CCI CAN : B 26 NBU C4 :(H bumps) USER MOD Set 1.1: A 6 DT C7 :methyl -30:sc= -0.738 (180deg=-0.278) USER MOD Set 1.2: A 7 DT C7 :methyl 150:sc= -0.0306 (180deg=-0.0306) USER MOD Single : A 1 DG O5' : rot 23:sc= 0.21 USER MOD Single : A 10 DT C7 :methyl 150:sc= -0.0969 (180deg=-0.0969) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot -58:sc= 0.249 USER MOD Single : B 22 DT C7 :methyl 150:sc= -0.326 (180deg=-0.326) USER MOD Single : B 24 DC O3' : rot 180:sc= 0 USER MOD Single : B 25 CCI O2D : rot 157:sc= -0.463 USER MOD Single : B 25 CCI O3A : rot -95:sc= 1.24 USER MOD Single : B 25 CCI O3B : rot 149:sc= 1.25 USER MOD Single : B 27 CCI O2D : rot 125:sc= 1.24 USER MOD Single : B 27 CCI O3A : rot -32:sc= 0.00999 USER MOD Single : B 27 CCI O3B : rot 70:sc= 0.808 USER MOD Single : B 27 CCI O4D : rot -32:sc=0.000962 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -8.379 15.487 5.054 1.00 0.00 O ATOM 2 C5' DG A 1 -9.527 15.176 5.810 1.00 0.00 C ATOM 3 C4' DG A 1 -10.198 13.956 5.179 1.00 0.00 C ATOM 4 O4' DG A 1 -10.234 14.120 3.770 1.00 0.00 O ATOM 5 C3' DG A 1 -9.503 12.612 5.412 1.00 0.00 C ATOM 6 O3' DG A 1 -8.851 12.409 6.647 1.00 0.00 O ATOM 7 C2' DG A 1 -8.724 12.395 4.122 1.00 0.00 C ATOM 8 C1' DG A 1 -9.863 12.870 3.222 1.00 0.00 C ATOM 9 N9 DG A 1 -9.697 12.876 1.757 1.00 0.00 N ATOM 10 C8 DG A 1 -8.591 13.037 0.971 1.00 0.00 C ATOM 11 N7 DG A 1 -8.854 13.093 -0.309 1.00 0.00 N ATOM 12 C5 DG A 1 -10.230 12.874 -0.378 1.00 0.00 C ATOM 13 C6 DG A 1 -11.120 12.761 -1.491 1.00 0.00 C ATOM 14 O6 DG A 1 -10.914 13.035 -2.670 1.00 0.00 O ATOM 15 N1 DG A 1 -12.372 12.280 -1.129 1.00 0.00 N ATOM 16 C2 DG A 1 -12.769 12.067 0.167 1.00 0.00 C ATOM 17 N2 DG A 1 -13.995 11.616 0.397 1.00 0.00 N ATOM 18 N3 DG A 1 -11.990 12.289 1.223 1.00 0.00 N ATOM 19 C4 DG A 1 -10.729 12.658 0.880 1.00 0.00 C ATOM 0 H5' DG A 1 -10.214 16.022 5.824 1.00 0.00 H new ATOM 0 H5'' DG A 1 -9.256 14.968 6.845 1.00 0.00 H new ATOM 0 H4' DG A 1 -11.175 13.916 5.661 1.00 0.00 H new ATOM 0 H3' DG A 1 -10.214 11.803 5.582 1.00 0.00 H new ATOM 0 H2' DG A 1 -7.820 12.999 4.046 1.00 0.00 H new ATOM 0 H2'' DG A 1 -8.430 11.359 3.953 1.00 0.00 H new ATOM 0 HO5' DG A 1 -8.476 15.125 4.149 1.00 0.00 H new ATOM 0 H1' DG A 1 -10.646 12.112 3.244 1.00 0.00 H new ATOM 0 H8 DG A 1 -7.590 13.111 1.370 1.00 0.00 H new ATOM 0 H1 DG A 1 -13.038 12.072 -1.873 1.00 0.00 H new ATOM 0 H21 DG A 1 -14.307 11.452 1.354 1.00 0.00 H new ATOM 0 H22 DG A 1 -14.626 11.433 -0.383 1.00 0.00 H new ATOM 32 P DC A 2 -8.567 10.909 7.202 1.00 0.00 P ATOM 33 OP1 DC A 2 -8.518 10.969 8.680 1.00 0.00 O ATOM 34 OP2 DC A 2 -7.416 10.363 6.453 1.00 0.00 O ATOM 35 O5' DC A 2 -9.880 10.045 6.776 1.00 0.00 O ATOM 36 C5' DC A 2 -11.182 10.338 7.268 1.00 0.00 C ATOM 37 C4' DC A 2 -12.269 9.774 6.333 1.00 0.00 C ATOM 38 O4' DC A 2 -12.006 10.130 4.979 1.00 0.00 O ATOM 39 C3' DC A 2 -12.398 8.250 6.403 1.00 0.00 C ATOM 40 O3' DC A 2 -13.748 7.909 6.679 1.00 0.00 O ATOM 41 C2' DC A 2 -11.975 7.803 5.010 1.00 0.00 C ATOM 42 C1' DC A 2 -12.221 9.019 4.125 1.00 0.00 C ATOM 43 N1 DC A 2 -11.266 9.078 2.981 1.00 0.00 N ATOM 44 C2 DC A 2 -11.719 9.004 1.660 1.00 0.00 C ATOM 45 O2 DC A 2 -12.875 8.688 1.385 1.00 0.00 O ATOM 46 N3 DC A 2 -10.850 9.285 0.640 1.00 0.00 N ATOM 47 C4 DC A 2 -9.571 9.576 0.909 1.00 0.00 C ATOM 48 N4 DC A 2 -8.761 9.966 -0.067 1.00 0.00 N ATOM 49 C5 DC A 2 -9.064 9.553 2.242 1.00 0.00 C ATOM 50 C6 DC A 2 -9.942 9.298 3.236 1.00 0.00 C ATOM 0 H5' DC A 2 -11.304 11.417 7.363 1.00 0.00 H new ATOM 0 H5'' DC A 2 -11.301 9.915 8.265 1.00 0.00 H new ATOM 0 H4' DC A 2 -13.204 10.214 6.679 1.00 0.00 H new ATOM 0 H3' DC A 2 -11.798 7.780 7.183 1.00 0.00 H new ATOM 0 H2' DC A 2 -10.927 7.504 4.991 1.00 0.00 H new ATOM 0 H2'' DC A 2 -12.557 6.945 4.675 1.00 0.00 H new ATOM 0 H1' DC A 2 -13.220 8.993 3.689 1.00 0.00 H new ATOM 0 H41 DC A 2 -7.787 10.188 0.137 1.00 0.00 H new ATOM 0 H42 DC A 2 -9.113 10.044 -1.021 1.00 0.00 H new ATOM 0 H5 DC A 2 -8.019 9.732 2.448 1.00 0.00 H new ATOM 0 H6 DC A 2 -9.589 9.267 4.256 1.00 0.00 H new ATOM 62 P DA A 3 -14.196 6.420 7.122 1.00 0.00 P ATOM 63 OP1 DA A 3 -15.542 6.506 7.730 1.00 0.00 O ATOM 64 OP2 DA A 3 -13.084 5.810 7.882 1.00 0.00 O ATOM 65 O5' DA A 3 -14.333 5.629 5.722 1.00 0.00 O ATOM 66 C5' DA A 3 -15.480 5.770 4.903 1.00 0.00 C ATOM 67 C4' DA A 3 -15.318 4.965 3.606 1.00 0.00 C ATOM 68 O4' DA A 3 -14.322 5.565 2.791 1.00 0.00 O ATOM 69 C3' DA A 3 -14.898 3.508 3.861 1.00 0.00 C ATOM 70 O3' DA A 3 -15.752 2.646 3.123 1.00 0.00 O ATOM 71 C2' DA A 3 -13.453 3.518 3.368 1.00 0.00 C ATOM 72 C1' DA A 3 -13.520 4.541 2.240 1.00 0.00 C ATOM 73 N9 DA A 3 -12.192 5.089 1.895 1.00 0.00 N ATOM 74 C8 DA A 3 -11.225 5.543 2.758 1.00 0.00 C ATOM 75 N7 DA A 3 -10.186 6.076 2.186 1.00 0.00 N ATOM 76 C5 DA A 3 -10.480 5.939 0.836 1.00 0.00 C ATOM 77 C6 DA A 3 -9.761 6.282 -0.315 1.00 0.00 C ATOM 78 N6 DA A 3 -8.580 6.870 -0.187 1.00 0.00 N ATOM 79 N1 DA A 3 -10.257 5.984 -1.530 1.00 0.00 N ATOM 80 C2 DA A 3 -11.433 5.366 -1.574 1.00 0.00 C ATOM 81 N3 DA A 3 -12.221 4.991 -0.567 1.00 0.00 N ATOM 82 C4 DA A 3 -11.680 5.319 0.635 1.00 0.00 C ATOM 0 H5' DA A 3 -15.638 6.822 4.667 1.00 0.00 H new ATOM 0 H5'' DA A 3 -16.363 5.428 5.442 1.00 0.00 H new ATOM 0 H4' DA A 3 -16.292 4.966 3.117 1.00 0.00 H new ATOM 0 H3' DA A 3 -14.971 3.154 4.889 1.00 0.00 H new ATOM 0 H2' DA A 3 -12.755 3.816 4.151 1.00 0.00 H new ATOM 0 H2'' DA A 3 -13.134 2.538 3.014 1.00 0.00 H new ATOM 0 H1' DA A 3 -13.905 4.105 1.319 1.00 0.00 H new ATOM 0 H8 DA A 3 -11.320 5.463 3.831 1.00 0.00 H new ATOM 0 H61 DA A 3 -8.045 7.126 -1.017 1.00 0.00 H new ATOM 0 H62 DA A 3 -8.206 7.067 0.741 1.00 0.00 H new ATOM 0 H2 DA A 3 -11.801 5.136 -2.563 1.00 0.00 H new ATOM 94 P DC A 4 -15.569 1.048 3.104 1.00 0.00 P ATOM 95 OP1 DC A 4 -16.896 0.417 2.903 1.00 0.00 O ATOM 96 OP2 DC A 4 -14.727 0.637 4.247 1.00 0.00 O ATOM 97 O5' DC A 4 -14.725 0.847 1.754 1.00 0.00 O ATOM 98 C5' DC A 4 -15.300 1.161 0.501 1.00 0.00 C ATOM 99 C4' DC A 4 -14.342 0.812 -0.635 1.00 0.00 C ATOM 100 O4' DC A 4 -13.202 1.643 -0.587 1.00 0.00 O ATOM 101 C3' DC A 4 -13.868 -0.644 -0.567 1.00 0.00 C ATOM 102 O3' DC A 4 -14.084 -1.256 -1.823 1.00 0.00 O ATOM 103 C2' DC A 4 -12.393 -0.494 -0.212 1.00 0.00 C ATOM 104 C1' DC A 4 -12.055 0.858 -0.842 1.00 0.00 C ATOM 105 N1 DC A 4 -10.903 1.552 -0.213 1.00 0.00 N ATOM 106 C2 DC A 4 -9.902 2.107 -1.006 1.00 0.00 C ATOM 107 O2 DC A 4 -9.859 1.917 -2.221 1.00 0.00 O ATOM 108 N3 DC A 4 -8.941 2.878 -0.420 1.00 0.00 N ATOM 109 C4 DC A 4 -8.959 3.086 0.901 1.00 0.00 C ATOM 110 N4 DC A 4 -8.054 3.892 1.429 1.00 0.00 N ATOM 111 C5 DC A 4 -10.004 2.572 1.731 1.00 0.00 C ATOM 112 C6 DC A 4 -10.945 1.816 1.127 1.00 0.00 C ATOM 0 H5' DC A 4 -15.545 2.222 0.464 1.00 0.00 H new ATOM 0 H5'' DC A 4 -16.234 0.614 0.377 1.00 0.00 H new ATOM 0 H4' DC A 4 -14.894 0.962 -1.563 1.00 0.00 H new ATOM 0 H3' DC A 4 -14.388 -1.277 0.153 1.00 0.00 H new ATOM 0 H2' DC A 4 -12.230 -0.495 0.866 1.00 0.00 H new ATOM 0 H2'' DC A 4 -11.789 -1.301 -0.627 1.00 0.00 H new ATOM 0 H1' DC A 4 -11.790 0.715 -1.890 1.00 0.00 H new ATOM 0 H41 DC A 4 -8.049 4.065 2.434 1.00 0.00 H new ATOM 0 H42 DC A 4 -7.360 4.341 0.831 1.00 0.00 H new ATOM 0 H5 DC A 4 -10.039 2.779 2.790 1.00 0.00 H new ATOM 0 H6 DC A 4 -11.752 1.409 1.718 1.00 0.00 H new ATOM 124 P DC A 5 -13.761 -2.807 -2.100 1.00 0.00 P ATOM 125 OP1 DC A 5 -14.778 -3.319 -3.042 1.00 0.00 O ATOM 126 OP2 DC A 5 -13.561 -3.483 -0.800 1.00 0.00 O ATOM 127 O5' DC A 5 -12.347 -2.713 -2.855 1.00 0.00 O ATOM 128 C5' DC A 5 -12.262 -2.133 -4.145 1.00 0.00 C ATOM 129 C4' DC A 5 -10.804 -2.000 -4.588 1.00 0.00 C ATOM 130 O4' DC A 5 -10.133 -1.106 -3.721 1.00 0.00 O ATOM 131 C3' DC A 5 -10.034 -3.327 -4.608 1.00 0.00 C ATOM 132 O3' DC A 5 -9.656 -3.621 -5.944 1.00 0.00 O ATOM 133 C2' DC A 5 -8.849 -3.033 -3.689 1.00 0.00 C ATOM 134 C1' DC A 5 -8.784 -1.504 -3.614 1.00 0.00 C ATOM 135 N1 DC A 5 -8.281 -1.031 -2.299 1.00 0.00 N ATOM 136 C2 DC A 5 -7.158 -0.209 -2.220 1.00 0.00 C ATOM 137 O2 DC A 5 -6.476 0.064 -3.205 1.00 0.00 O ATOM 138 N3 DC A 5 -6.784 0.285 -1.003 1.00 0.00 N ATOM 139 C4 DC A 5 -7.484 -0.024 0.096 1.00 0.00 C ATOM 140 N4 DC A 5 -7.106 0.475 1.266 1.00 0.00 N ATOM 141 C5 DC A 5 -8.632 -0.871 0.044 1.00 0.00 C ATOM 142 C6 DC A 5 -8.984 -1.345 -1.171 1.00 0.00 C ATOM 0 H5' DC A 5 -12.735 -1.151 -4.139 1.00 0.00 H new ATOM 0 H5'' DC A 5 -12.809 -2.746 -4.861 1.00 0.00 H new ATOM 0 H4' DC A 5 -10.830 -1.631 -5.613 1.00 0.00 H new ATOM 0 H3' DC A 5 -10.590 -4.202 -4.271 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.995 -3.472 -2.702 1.00 0.00 H new ATOM 0 H2'' DC A 5 -7.925 -3.449 -4.089 1.00 0.00 H new ATOM 0 H1' DC A 5 -8.119 -1.104 -4.380 1.00 0.00 H new ATOM 0 H41 DC A 5 -7.630 0.248 2.111 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.291 1.086 1.320 1.00 0.00 H new ATOM 0 H5 DC A 5 -9.192 -1.121 0.933 1.00 0.00 H new ATOM 0 H6 DC A 5 -9.846 -1.991 -1.253 1.00 0.00 H new ATOM 154 P DT A 6 -8.867 -4.968 -6.353 1.00 0.00 P ATOM 155 OP1 DT A 6 -9.139 -5.256 -7.779 1.00 0.00 O ATOM 156 OP2 DT A 6 -9.125 -6.000 -5.325 1.00 0.00 O ATOM 157 O5' DT A 6 -7.333 -4.497 -6.218 1.00 0.00 O ATOM 158 C5' DT A 6 -6.805 -3.509 -7.079 1.00 0.00 C ATOM 159 C4' DT A 6 -5.421 -3.067 -6.596 1.00 0.00 C ATOM 160 O4' DT A 6 -5.511 -2.502 -5.300 1.00 0.00 O ATOM 161 C3' DT A 6 -4.403 -4.216 -6.538 1.00 0.00 C ATOM 162 O3' DT A 6 -3.340 -3.934 -7.433 1.00 0.00 O ATOM 163 C2' DT A 6 -3.975 -4.206 -5.072 1.00 0.00 C ATOM 164 C1' DT A 6 -4.309 -2.786 -4.620 1.00 0.00 C ATOM 165 N1 DT A 6 -4.529 -2.671 -3.154 1.00 0.00 N ATOM 166 C2 DT A 6 -3.778 -1.752 -2.421 1.00 0.00 C ATOM 167 O2 DT A 6 -2.883 -1.066 -2.905 1.00 0.00 O ATOM 168 N3 DT A 6 -4.075 -1.655 -1.075 1.00 0.00 N ATOM 169 C4 DT A 6 -5.067 -2.342 -0.411 1.00 0.00 C ATOM 170 C5 DT A 6 -5.796 -3.289 -1.229 1.00 0.00 C ATOM 171 C6 DT A 6 -5.507 -3.417 -2.547 1.00 0.00 C ATOM 172 O4 DT A 6 -5.276 -2.127 0.780 1.00 0.00 O ATOM 185 C7 DT A 6 -6.854 -4.169 -0.587 1.00 0.00 C ATOM 0 H5' DT A 6 -7.476 -2.651 -7.114 1.00 0.00 H new ATOM 0 H5'' DT A 6 -6.735 -3.901 -8.094 1.00 0.00 H new ATOM 0 H4' DT A 6 -5.072 -2.336 -7.326 1.00 0.00 H new ATOM 0 H3' DT A 6 -4.780 -5.194 -6.837 1.00 0.00 H new ATOM 0 H2' DT A 6 -4.516 -4.952 -4.490 1.00 0.00 H new ATOM 0 H2'' DT A 6 -2.913 -4.424 -4.961 1.00 0.00 H new ATOM 0 H1' DT A 6 -3.488 -2.103 -4.838 1.00 0.00 H new ATOM 0 H3 DT A 6 -3.506 -1.015 -0.521 1.00 0.00 H new ATOM 0 H71 DT A 6 -6.587 -4.360 0.452 1.00 0.00 H new ATOM 0 H72 DT A 6 -7.820 -3.665 -0.627 1.00 0.00 H new ATOM 0 H73 DT A 6 -6.916 -5.115 -1.125 1.00 0.00 H new ATOM 0 H6 DT A 6 -6.064 -4.129 -3.138 1.00 0.00 H new ATOM 186 P DT A 7 -2.143 -4.978 -7.720 1.00 0.00 P ATOM 187 OP1 DT A 7 -1.554 -4.654 -9.038 1.00 0.00 O ATOM 188 OP2 DT A 7 -2.633 -6.346 -7.444 1.00 0.00 O ATOM 189 O5' DT A 7 -1.071 -4.586 -6.587 1.00 0.00 O ATOM 190 C5' DT A 7 -0.373 -3.355 -6.646 1.00 0.00 C ATOM 191 C4' DT A 7 0.462 -3.135 -5.383 1.00 0.00 C ATOM 192 O4' DT A 7 -0.387 -3.003 -4.256 1.00 0.00 O ATOM 193 C3' DT A 7 1.444 -4.280 -5.103 1.00 0.00 C ATOM 194 O3' DT A 7 2.759 -3.748 -5.051 1.00 0.00 O ATOM 195 C2' DT A 7 0.959 -4.804 -3.755 1.00 0.00 C ATOM 196 C1' DT A 7 0.283 -3.572 -3.153 1.00 0.00 C ATOM 197 N1 DT A 7 -0.692 -3.885 -2.074 1.00 0.00 N ATOM 198 C2 DT A 7 -0.581 -3.217 -0.857 1.00 0.00 C ATOM 199 O2 DT A 7 0.316 -2.421 -0.593 1.00 0.00 O ATOM 200 N3 DT A 7 -1.542 -3.514 0.084 1.00 0.00 N ATOM 201 C4 DT A 7 -2.581 -4.403 -0.051 1.00 0.00 C ATOM 202 C5 DT A 7 -2.622 -5.077 -1.337 1.00 0.00 C ATOM 203 C6 DT A 7 -1.700 -4.791 -2.289 1.00 0.00 C ATOM 204 O4 DT A 7 -3.388 -4.547 0.864 1.00 0.00 O ATOM 217 C7 DT A 7 -3.662 -6.152 -1.595 1.00 0.00 C ATOM 0 H5' DT A 7 -1.083 -2.536 -6.764 1.00 0.00 H new ATOM 0 H5'' DT A 7 0.276 -3.343 -7.522 1.00 0.00 H new ATOM 0 H4' DT A 7 1.038 -2.226 -5.557 1.00 0.00 H new ATOM 0 H3' DT A 7 1.476 -5.070 -5.853 1.00 0.00 H new ATOM 0 H2' DT A 7 0.263 -5.636 -3.868 1.00 0.00 H new ATOM 0 H2'' DT A 7 1.783 -5.159 -3.136 1.00 0.00 H new ATOM 0 H1' DT A 7 1.014 -2.921 -2.674 1.00 0.00 H new ATOM 0 H3 DT A 7 -1.475 -3.022 0.975 1.00 0.00 H new ATOM 0 H71 DT A 7 -3.915 -6.167 -2.655 1.00 0.00 H new ATOM 0 H72 DT A 7 -3.262 -7.123 -1.304 1.00 0.00 H new ATOM 0 H73 DT A 7 -4.558 -5.939 -1.012 1.00 0.00 H new ATOM 0 H6 DT A 7 -1.761 -5.291 -3.244 1.00 0.00 H new ATOM 218 P DC A 8 4.072 -4.682 -4.953 1.00 0.00 P ATOM 219 OP1 DC A 8 5.124 -4.059 -5.797 1.00 0.00 O ATOM 220 OP2 DC A 8 3.676 -6.085 -5.190 1.00 0.00 O ATOM 221 O5' DC A 8 4.503 -4.529 -3.409 1.00 0.00 O ATOM 222 C5' DC A 8 5.105 -3.336 -2.934 1.00 0.00 C ATOM 223 C4' DC A 8 5.190 -3.338 -1.407 1.00 0.00 C ATOM 224 O4' DC A 8 3.887 -3.502 -0.885 1.00 0.00 O ATOM 225 C3' DC A 8 6.078 -4.451 -0.830 1.00 0.00 C ATOM 226 O3' DC A 8 7.037 -3.857 0.031 1.00 0.00 O ATOM 227 C2' DC A 8 5.072 -5.323 -0.088 1.00 0.00 C ATOM 228 C1' DC A 8 3.983 -4.314 0.262 1.00 0.00 C ATOM 229 N1 DC A 8 2.672 -4.966 0.504 1.00 0.00 N ATOM 230 C2 DC A 8 1.987 -4.701 1.683 1.00 0.00 C ATOM 231 O2 DC A 8 2.459 -3.956 2.533 1.00 0.00 O ATOM 232 N3 DC A 8 0.779 -5.297 1.902 1.00 0.00 N ATOM 233 C4 DC A 8 0.247 -6.098 0.973 1.00 0.00 C ATOM 234 N4 DC A 8 -0.929 -6.664 1.214 1.00 0.00 N ATOM 235 C5 DC A 8 0.902 -6.344 -0.274 1.00 0.00 C ATOM 236 C6 DC A 8 2.109 -5.763 -0.453 1.00 0.00 C ATOM 0 H5' DC A 8 4.528 -2.474 -3.269 1.00 0.00 H new ATOM 0 H5'' DC A 8 6.104 -3.234 -3.358 1.00 0.00 H new ATOM 0 H4' DC A 8 5.642 -2.389 -1.120 1.00 0.00 H new ATOM 0 H3' DC A 8 6.648 -5.029 -1.557 1.00 0.00 H new ATOM 0 H2' DC A 8 4.694 -6.133 -0.712 1.00 0.00 H new ATOM 0 H2'' DC A 8 5.506 -5.782 0.801 1.00 0.00 H new ATOM 0 H1' DC A 8 4.229 -3.771 1.174 1.00 0.00 H new ATOM 0 H41 DC A 8 -1.352 -7.278 0.518 1.00 0.00 H new ATOM 0 H42 DC A 8 -1.410 -6.485 2.095 1.00 0.00 H new ATOM 0 H5 DC A 8 0.454 -6.964 -1.036 1.00 0.00 H new ATOM 0 H6 DC A 8 2.643 -5.933 -1.376 1.00 0.00 H new ATOM 248 P DC A 9 8.133 -4.711 0.856 1.00 0.00 P ATOM 249 OP1 DC A 9 9.389 -3.932 0.895 1.00 0.00 O ATOM 250 OP2 DC A 9 8.140 -6.097 0.337 1.00 0.00 O ATOM 251 O5' DC A 9 7.499 -4.729 2.342 1.00 0.00 O ATOM 252 C5' DC A 9 7.431 -3.542 3.117 1.00 0.00 C ATOM 253 C4' DC A 9 6.779 -3.798 4.482 1.00 0.00 C ATOM 254 O4' DC A 9 5.464 -4.286 4.289 1.00 0.00 O ATOM 255 C3' DC A 9 7.538 -4.811 5.348 1.00 0.00 C ATOM 256 O3' DC A 9 7.791 -4.217 6.612 1.00 0.00 O ATOM 257 C2' DC A 9 6.570 -5.986 5.416 1.00 0.00 C ATOM 258 C1' DC A 9 5.211 -5.319 5.219 1.00 0.00 C ATOM 259 N1 DC A 9 4.233 -6.257 4.617 1.00 0.00 N ATOM 260 C2 DC A 9 3.060 -6.578 5.292 1.00 0.00 C ATOM 261 O2 DC A 9 2.855 -6.231 6.449 1.00 0.00 O ATOM 262 N3 DC A 9 2.117 -7.332 4.665 1.00 0.00 N ATOM 263 C4 DC A 9 2.333 -7.784 3.426 1.00 0.00 C ATOM 264 N4 DC A 9 1.384 -8.514 2.856 1.00 0.00 N ATOM 265 C5 DC A 9 3.552 -7.519 2.726 1.00 0.00 C ATOM 266 C6 DC A 9 4.466 -6.754 3.365 1.00 0.00 C ATOM 0 H5' DC A 9 6.862 -2.786 2.577 1.00 0.00 H new ATOM 0 H5'' DC A 9 8.435 -3.142 3.261 1.00 0.00 H new ATOM 0 H4' DC A 9 6.789 -2.843 5.008 1.00 0.00 H new ATOM 0 H3' DC A 9 8.511 -5.126 4.969 1.00 0.00 H new ATOM 0 H2' DC A 9 6.775 -6.724 4.640 1.00 0.00 H new ATOM 0 H2'' DC A 9 6.631 -6.505 6.373 1.00 0.00 H new ATOM 0 H1' DC A 9 4.796 -4.976 6.167 1.00 0.00 H new ATOM 0 H41 DC A 9 1.516 -8.875 1.911 1.00 0.00 H new ATOM 0 H42 DC A 9 0.522 -8.715 3.362 1.00 0.00 H new ATOM 0 H5 DC A 9 3.733 -7.911 1.736 1.00 0.00 H new ATOM 0 H6 DC A 9 5.402 -6.530 2.875 1.00 0.00 H new ATOM 278 P DT A 10 8.583 -4.973 7.799 1.00 0.00 P ATOM 279 OP1 DT A 10 9.200 -3.948 8.671 1.00 0.00 O ATOM 280 OP2 DT A 10 9.422 -6.033 7.202 1.00 0.00 O ATOM 281 O5' DT A 10 7.390 -5.678 8.619 1.00 0.00 O ATOM 282 C5' DT A 10 6.444 -4.899 9.328 1.00 0.00 C ATOM 283 C4' DT A 10 5.341 -5.789 9.906 1.00 0.00 C ATOM 284 O4' DT A 10 4.643 -6.445 8.862 1.00 0.00 O ATOM 285 C3' DT A 10 5.854 -6.867 10.873 1.00 0.00 C ATOM 286 O3' DT A 10 5.145 -6.751 12.098 1.00 0.00 O ATOM 287 C2' DT A 10 5.518 -8.160 10.133 1.00 0.00 C ATOM 288 C1' DT A 10 4.298 -7.733 9.324 1.00 0.00 C ATOM 289 N1 DT A 10 4.026 -8.628 8.171 1.00 0.00 N ATOM 290 C2 DT A 10 2.756 -9.185 8.036 1.00 0.00 C ATOM 291 O2 DT A 10 1.891 -9.122 8.903 1.00 0.00 O ATOM 292 N3 DT A 10 2.501 -9.845 6.857 1.00 0.00 N ATOM 293 C4 DT A 10 3.396 -10.049 5.830 1.00 0.00 C ATOM 294 C5 DT A 10 4.721 -9.509 6.069 1.00 0.00 C ATOM 295 C6 DT A 10 4.986 -8.829 7.211 1.00 0.00 C ATOM 296 O4 DT A 10 3.031 -10.617 4.803 1.00 0.00 O ATOM 309 C7 DT A 10 5.815 -9.731 5.044 1.00 0.00 C ATOM 0 H5' DT A 10 6.007 -4.154 8.664 1.00 0.00 H new ATOM 0 H5'' DT A 10 6.941 -4.357 10.133 1.00 0.00 H new ATOM 0 H4' DT A 10 4.692 -5.116 10.466 1.00 0.00 H new ATOM 0 H3' DT A 10 6.912 -6.803 11.126 1.00 0.00 H new ATOM 0 H2' DT A 10 6.337 -8.494 9.496 1.00 0.00 H new ATOM 0 H2'' DT A 10 5.292 -8.978 10.817 1.00 0.00 H new ATOM 0 H1' DT A 10 3.391 -7.764 9.928 1.00 0.00 H new ATOM 0 H3 DT A 10 1.560 -10.219 6.731 1.00 0.00 H new ATOM 0 H71 DT A 10 6.513 -8.894 5.070 1.00 0.00 H new ATOM 0 H72 DT A 10 6.346 -10.655 5.273 1.00 0.00 H new ATOM 0 H73 DT A 10 5.373 -9.804 4.050 1.00 0.00 H new ATOM 0 H6 DT A 10 5.979 -8.435 7.370 1.00 0.00 H new ATOM 310 P DG A 11 5.477 -7.670 13.383 1.00 0.00 P ATOM 311 OP1 DG A 11 5.091 -6.922 14.599 1.00 0.00 O ATOM 312 OP2 DG A 11 6.856 -8.191 13.246 1.00 0.00 O ATOM 313 O5' DG A 11 4.456 -8.904 13.201 1.00 0.00 O ATOM 314 C5' DG A 11 3.077 -8.757 13.490 1.00 0.00 C ATOM 315 C4' DG A 11 2.312 -10.057 13.227 1.00 0.00 C ATOM 316 O4' DG A 11 2.271 -10.340 11.837 1.00 0.00 O ATOM 317 C3' DG A 11 2.940 -11.267 13.934 1.00 0.00 C ATOM 318 O3' DG A 11 1.932 -11.938 14.675 1.00 0.00 O ATOM 319 C2' DG A 11 3.445 -12.084 12.748 1.00 0.00 C ATOM 320 C1' DG A 11 2.414 -11.735 11.680 1.00 0.00 C ATOM 321 N9 DG A 11 2.886 -12.064 10.319 1.00 0.00 N ATOM 322 C8 DG A 11 4.082 -11.733 9.743 1.00 0.00 C ATOM 323 N7 DG A 11 4.201 -12.104 8.498 1.00 0.00 N ATOM 324 C5 DG A 11 2.989 -12.737 8.226 1.00 0.00 C ATOM 325 C6 DG A 11 2.516 -13.367 7.034 1.00 0.00 C ATOM 326 O6 DG A 11 3.079 -13.456 5.947 1.00 0.00 O ATOM 327 N1 DG A 11 1.260 -13.935 7.181 1.00 0.00 N ATOM 328 C2 DG A 11 0.543 -13.921 8.350 1.00 0.00 C ATOM 329 N2 DG A 11 -0.654 -14.497 8.352 1.00 0.00 N ATOM 330 N3 DG A 11 0.970 -13.335 9.474 1.00 0.00 N ATOM 331 C4 DG A 11 2.191 -12.747 9.344 1.00 0.00 C ATOM 0 H5' DG A 11 2.659 -7.957 12.880 1.00 0.00 H new ATOM 0 H5'' DG A 11 2.951 -8.463 14.532 1.00 0.00 H new ATOM 0 H4' DG A 11 1.309 -9.899 13.623 1.00 0.00 H new ATOM 0 H3' DG A 11 3.730 -11.046 14.652 1.00 0.00 H new ATOM 0 H2' DG A 11 4.455 -11.798 12.453 1.00 0.00 H new ATOM 0 H2'' DG A 11 3.466 -13.152 12.965 1.00 0.00 H new ATOM 0 H1' DG A 11 1.485 -12.293 11.794 1.00 0.00 H new ATOM 0 H8 DG A 11 4.862 -11.208 10.274 1.00 0.00 H new ATOM 0 H1 DG A 11 0.843 -14.392 6.370 1.00 0.00 H new ATOM 0 H21 DG A 11 -1.215 -14.505 9.204 1.00 0.00 H new ATOM 0 H22 DG A 11 -1.012 -14.931 7.501 1.00 0.00 H new ATOM 343 P DC A 12 2.257 -13.192 15.641 1.00 0.00 P ATOM 344 OP1 DC A 12 1.414 -13.081 16.851 1.00 0.00 O ATOM 345 OP2 DC A 12 3.725 -13.323 15.774 1.00 0.00 O ATOM 346 O5' DC A 12 1.721 -14.434 14.768 1.00 0.00 O ATOM 347 C5' DC A 12 0.333 -14.662 14.607 1.00 0.00 C ATOM 348 C4' DC A 12 0.102 -15.831 13.649 1.00 0.00 C ATOM 349 O4' DC A 12 0.684 -15.524 12.400 1.00 0.00 O ATOM 350 C3' DC A 12 0.726 -17.144 14.133 1.00 0.00 C ATOM 351 O3' DC A 12 -0.272 -18.107 14.398 1.00 0.00 O ATOM 352 C2' DC A 12 1.608 -17.601 12.976 1.00 0.00 C ATOM 353 C1' DC A 12 1.140 -16.723 11.814 1.00 0.00 C ATOM 354 N1 DC A 12 2.261 -16.395 10.900 1.00 0.00 N ATOM 355 C2 DC A 12 2.242 -16.870 9.597 1.00 0.00 C ATOM 356 O2 DC A 12 1.383 -17.662 9.223 1.00 0.00 O ATOM 357 N3 DC A 12 3.198 -16.449 8.719 1.00 0.00 N ATOM 358 C4 DC A 12 4.165 -15.620 9.126 1.00 0.00 C ATOM 359 N4 DC A 12 5.020 -15.165 8.221 1.00 0.00 N ATOM 360 C5 DC A 12 4.240 -15.158 10.479 1.00 0.00 C ATOM 361 C6 DC A 12 3.268 -15.574 11.325 1.00 0.00 C ATOM 0 H5' DC A 12 -0.149 -13.764 14.221 1.00 0.00 H new ATOM 0 H5'' DC A 12 -0.123 -14.878 15.573 1.00 0.00 H new ATOM 0 H4' DC A 12 -0.977 -15.970 13.585 1.00 0.00 H new ATOM 0 H3' DC A 12 1.285 -17.014 15.059 1.00 0.00 H new ATOM 0 H2' DC A 12 2.666 -17.452 13.193 1.00 0.00 H new ATOM 0 H2'' DC A 12 1.473 -18.661 12.760 1.00 0.00 H new ATOM 0 HO3' DC A 12 0.148 -18.938 14.704 1.00 0.00 H new ATOM 0 H1' DC A 12 0.374 -17.239 11.235 1.00 0.00 H new ATOM 0 H41 DC A 12 5.769 -14.531 8.500 1.00 0.00 H new ATOM 0 H42 DC A 12 4.929 -15.449 7.246 1.00 0.00 H new ATOM 0 H5 DC A 12 5.036 -14.507 10.810 1.00 0.00 H new ATOM 0 H6 DC A 12 3.289 -15.251 12.355 1.00 0.00 H new TER 374 DC A 12 ATOM 375 O5' DG B 13 -0.082 -19.206 -1.878 1.00 0.00 O ATOM 376 C5' DG B 13 -0.668 -19.866 -0.777 1.00 0.00 C ATOM 377 C4' DG B 13 -0.793 -18.896 0.403 1.00 0.00 C ATOM 378 O4' DG B 13 0.441 -18.687 1.063 1.00 0.00 O ATOM 379 C3' DG B 13 -1.329 -17.508 0.040 1.00 0.00 C ATOM 380 O3' DG B 13 -2.046 -17.401 -1.175 1.00 0.00 O ATOM 381 C2' DG B 13 -0.109 -16.613 0.202 1.00 0.00 C ATOM 382 C1' DG B 13 0.427 -17.329 1.441 1.00 0.00 C ATOM 383 N9 DG B 13 1.647 -16.847 2.117 1.00 0.00 N ATOM 384 C8 DG B 13 2.701 -16.095 1.666 1.00 0.00 C ATOM 385 N7 DG B 13 3.600 -15.837 2.577 1.00 0.00 N ATOM 386 C5 DG B 13 3.081 -16.420 3.735 1.00 0.00 C ATOM 387 C6 DG B 13 3.546 -16.413 5.088 1.00 0.00 C ATOM 388 O6 DG B 13 4.626 -16.020 5.525 1.00 0.00 O ATOM 389 N1 DG B 13 2.610 -16.921 5.980 1.00 0.00 N ATOM 390 C2 DG B 13 1.393 -17.442 5.609 1.00 0.00 C ATOM 391 N2 DG B 13 0.576 -17.898 6.546 1.00 0.00 N ATOM 392 N3 DG B 13 0.982 -17.523 4.345 1.00 0.00 N ATOM 393 C4 DG B 13 1.861 -16.982 3.465 1.00 0.00 C ATOM 0 H5' DG B 13 -0.061 -20.725 -0.491 1.00 0.00 H new ATOM 0 H5'' DG B 13 -1.651 -20.248 -1.051 1.00 0.00 H new ATOM 0 H4' DG B 13 -1.514 -19.399 1.048 1.00 0.00 H new ATOM 0 H3' DG B 13 -2.146 -17.201 0.693 1.00 0.00 H new ATOM 0 H2' DG B 13 0.571 -16.644 -0.649 1.00 0.00 H new ATOM 0 H2'' DG B 13 -0.356 -15.565 0.375 1.00 0.00 H new ATOM 0 HO5' DG B 13 -0.628 -18.430 -2.123 1.00 0.00 H new ATOM 0 H1' DG B 13 -0.230 -17.102 2.281 1.00 0.00 H new ATOM 0 H8 DG B 13 2.781 -15.747 0.647 1.00 0.00 H new ATOM 0 H1 DG B 13 2.840 -16.907 6.974 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.330 -18.288 6.287 1.00 0.00 H new ATOM 0 H22 DG B 13 0.853 -17.860 7.527 1.00 0.00 H new ATOM 406 P DC B 14 -3.133 -16.211 -1.394 1.00 0.00 P ATOM 407 OP1 DC B 14 -4.127 -16.679 -2.383 1.00 0.00 O ATOM 408 OP2 DC B 14 -2.388 -14.957 -1.633 1.00 0.00 O ATOM 409 O5' DC B 14 -3.877 -16.067 0.043 1.00 0.00 O ATOM 410 C5' DC B 14 -4.648 -17.117 0.608 1.00 0.00 C ATOM 411 C4' DC B 14 -4.775 -16.936 2.133 1.00 0.00 C ATOM 412 O4' DC B 14 -3.483 -16.776 2.705 1.00 0.00 O ATOM 413 C3' DC B 14 -5.632 -15.732 2.540 1.00 0.00 C ATOM 414 O3' DC B 14 -6.677 -16.161 3.400 1.00 0.00 O ATOM 415 C2' DC B 14 -4.637 -14.825 3.263 1.00 0.00 C ATOM 416 C1' DC B 14 -3.492 -15.746 3.675 1.00 0.00 C ATOM 417 N1 DC B 14 -2.168 -15.053 3.670 1.00 0.00 N ATOM 418 C2 DC B 14 -1.387 -15.008 4.827 1.00 0.00 C ATOM 419 O2 DC B 14 -1.811 -15.411 5.908 1.00 0.00 O ATOM 420 N3 DC B 14 -0.116 -14.505 4.763 1.00 0.00 N ATOM 421 C4 DC B 14 0.358 -14.039 3.603 1.00 0.00 C ATOM 422 N4 DC B 14 1.630 -13.667 3.519 1.00 0.00 N ATOM 423 C5 DC B 14 -0.434 -14.018 2.419 1.00 0.00 C ATOM 424 C6 DC B 14 -1.681 -14.536 2.502 1.00 0.00 C ATOM 0 H5' DC B 14 -4.181 -18.077 0.388 1.00 0.00 H new ATOM 0 H5'' DC B 14 -5.639 -17.133 0.154 1.00 0.00 H new ATOM 0 H4' DC B 14 -5.271 -17.833 2.503 1.00 0.00 H new ATOM 0 H3' DC B 14 -6.118 -15.225 1.706 1.00 0.00 H new ATOM 0 H2' DC B 14 -4.286 -14.025 2.611 1.00 0.00 H new ATOM 0 H2'' DC B 14 -5.094 -14.350 4.131 1.00 0.00 H new ATOM 0 H1' DC B 14 -3.643 -16.106 4.693 1.00 0.00 H new ATOM 0 H41 DC B 14 2.000 -13.310 2.638 1.00 0.00 H new ATOM 0 H42 DC B 14 2.237 -13.738 4.336 1.00 0.00 H new ATOM 0 H5 DC B 14 -0.055 -13.606 1.495 1.00 0.00 H new ATOM 0 H6 DC B 14 -2.308 -14.541 1.623 1.00 0.00 H new ATOM 436 P DA B 15 -7.912 -15.197 3.813 1.00 0.00 P ATOM 437 OP1 DA B 15 -9.032 -16.057 4.260 1.00 0.00 O ATOM 438 OP2 DA B 15 -8.126 -14.220 2.722 1.00 0.00 O ATOM 439 O5' DA B 15 -7.357 -14.398 5.099 1.00 0.00 O ATOM 440 C5' DA B 15 -7.237 -15.029 6.362 1.00 0.00 C ATOM 441 C4' DA B 15 -6.588 -14.077 7.373 1.00 0.00 C ATOM 442 O4' DA B 15 -5.251 -13.814 6.985 1.00 0.00 O ATOM 443 C3' DA B 15 -7.320 -12.728 7.470 1.00 0.00 C ATOM 444 O3' DA B 15 -7.598 -12.434 8.831 1.00 0.00 O ATOM 445 C2' DA B 15 -6.308 -11.766 6.858 1.00 0.00 C ATOM 446 C1' DA B 15 -4.985 -12.441 7.188 1.00 0.00 C ATOM 447 N9 DA B 15 -3.896 -12.027 6.281 1.00 0.00 N ATOM 448 C8 DA B 15 -3.887 -12.060 4.911 1.00 0.00 C ATOM 449 N7 DA B 15 -2.720 -11.856 4.366 1.00 0.00 N ATOM 450 C5 DA B 15 -1.912 -11.594 5.466 1.00 0.00 C ATOM 451 C6 DA B 15 -0.560 -11.247 5.587 1.00 0.00 C ATOM 452 N6 DA B 15 0.224 -11.107 4.521 1.00 0.00 N ATOM 453 N1 DA B 15 -0.059 -10.986 6.805 1.00 0.00 N ATOM 454 C2 DA B 15 -0.865 -11.075 7.860 1.00 0.00 C ATOM 455 N3 DA B 15 -2.148 -11.413 7.885 1.00 0.00 N ATOM 456 C4 DA B 15 -2.621 -11.657 6.636 1.00 0.00 C ATOM 0 H5' DA B 15 -6.637 -15.934 6.268 1.00 0.00 H new ATOM 0 H5'' DA B 15 -8.221 -15.334 6.719 1.00 0.00 H new ATOM 0 H4' DA B 15 -6.637 -14.570 8.344 1.00 0.00 H new ATOM 0 H3' DA B 15 -8.285 -12.688 6.965 1.00 0.00 H new ATOM 0 H2' DA B 15 -6.451 -11.654 5.783 1.00 0.00 H new ATOM 0 H2'' DA B 15 -6.377 -10.770 7.295 1.00 0.00 H new ATOM 0 H1' DA B 15 -4.654 -12.185 8.195 1.00 0.00 H new ATOM 0 H8 DA B 15 -4.778 -12.241 4.328 1.00 0.00 H new ATOM 0 H61 DA B 15 1.205 -10.854 4.639 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.156 -11.253 3.586 1.00 0.00 H new ATOM 0 H2 DA B 15 -0.419 -10.843 8.816 1.00 0.00 H new ATOM 468 P DG B 16 -8.450 -11.136 9.278 1.00 0.00 P ATOM 469 OP1 DG B 16 -9.190 -11.473 10.515 1.00 0.00 O ATOM 470 OP2 DG B 16 -9.182 -10.622 8.099 1.00 0.00 O ATOM 471 O5' DG B 16 -7.300 -10.074 9.661 1.00 0.00 O ATOM 472 C5' DG B 16 -6.564 -10.209 10.862 1.00 0.00 C ATOM 473 C4' DG B 16 -5.498 -9.117 10.971 1.00 0.00 C ATOM 474 O4' DG B 16 -4.560 -9.267 9.921 1.00 0.00 O ATOM 475 C3' DG B 16 -6.071 -7.692 10.878 1.00 0.00 C ATOM 476 O3' DG B 16 -5.591 -6.950 11.989 1.00 0.00 O ATOM 477 C2' DG B 16 -5.512 -7.204 9.545 1.00 0.00 C ATOM 478 C1' DG B 16 -4.204 -7.982 9.457 1.00 0.00 C ATOM 479 N9 DG B 16 -3.705 -8.087 8.072 1.00 0.00 N ATOM 480 C8 DG B 16 -4.366 -8.574 6.977 1.00 0.00 C ATOM 481 N7 DG B 16 -3.623 -8.703 5.915 1.00 0.00 N ATOM 482 C5 DG B 16 -2.384 -8.220 6.325 1.00 0.00 C ATOM 483 C6 DG B 16 -1.170 -8.064 5.598 1.00 0.00 C ATOM 484 O6 DG B 16 -0.948 -8.364 4.427 1.00 0.00 O ATOM 485 N1 DG B 16 -0.159 -7.490 6.352 1.00 0.00 N ATOM 486 C2 DG B 16 -0.296 -7.109 7.668 1.00 0.00 C ATOM 487 N2 DG B 16 0.702 -6.461 8.260 1.00 0.00 N ATOM 488 N3 DG B 16 -1.429 -7.251 8.358 1.00 0.00 N ATOM 489 C4 DG B 16 -2.432 -7.816 7.636 1.00 0.00 C ATOM 0 H5' DG B 16 -6.091 -11.190 10.895 1.00 0.00 H new ATOM 0 H5'' DG B 16 -7.239 -10.151 11.716 1.00 0.00 H new ATOM 0 H4' DG B 16 -5.041 -9.237 11.953 1.00 0.00 H new ATOM 0 H3' DG B 16 -7.157 -7.608 10.909 1.00 0.00 H new ATOM 0 H2' DG B 16 -6.180 -7.430 8.714 1.00 0.00 H new ATOM 0 H2'' DG B 16 -5.349 -6.126 9.539 1.00 0.00 H new ATOM 0 H1' DG B 16 -3.410 -7.498 10.025 1.00 0.00 H new ATOM 0 H8 DG B 16 -5.415 -8.830 6.992 1.00 0.00 H new ATOM 0 H1 DG B 16 0.745 -7.340 5.903 1.00 0.00 H new ATOM 0 H21 DG B 16 0.616 -6.172 9.234 1.00 0.00 H new ATOM 0 H22 DG B 16 1.554 -6.253 7.740 1.00 0.00 H new ATOM 501 P DG B 17 -5.955 -5.396 12.223 1.00 0.00 P ATOM 502 OP1 DG B 17 -5.914 -5.122 13.676 1.00 0.00 O ATOM 503 OP2 DG B 17 -7.169 -5.063 11.447 1.00 0.00 O ATOM 504 O5' DG B 17 -4.696 -4.663 11.535 1.00 0.00 O ATOM 505 C5' DG B 17 -3.403 -4.756 12.108 1.00 0.00 C ATOM 506 C4' DG B 17 -2.384 -3.948 11.301 1.00 0.00 C ATOM 507 O4' DG B 17 -2.184 -4.522 10.024 1.00 0.00 O ATOM 508 C3' DG B 17 -2.817 -2.490 11.095 1.00 0.00 C ATOM 509 O3' DG B 17 -1.753 -1.644 11.484 1.00 0.00 O ATOM 510 C2' DG B 17 -3.084 -2.448 9.597 1.00 0.00 C ATOM 511 C1' DG B 17 -2.088 -3.479 9.076 1.00 0.00 C ATOM 512 N9 DG B 17 -2.493 -4.012 7.756 1.00 0.00 N ATOM 513 C8 DG B 17 -3.704 -4.551 7.406 1.00 0.00 C ATOM 514 N7 DG B 17 -3.742 -5.064 6.207 1.00 0.00 N ATOM 515 C5 DG B 17 -2.455 -4.855 5.721 1.00 0.00 C ATOM 516 C6 DG B 17 -1.867 -5.216 4.472 1.00 0.00 C ATOM 517 O6 DG B 17 -2.376 -5.810 3.526 1.00 0.00 O ATOM 518 N1 DG B 17 -0.543 -4.824 4.372 1.00 0.00 N ATOM 519 C2 DG B 17 0.146 -4.169 5.359 1.00 0.00 C ATOM 520 N2 DG B 17 1.403 -3.833 5.106 1.00 0.00 N ATOM 521 N3 DG B 17 -0.393 -3.820 6.529 1.00 0.00 N ATOM 522 C4 DG B 17 -1.691 -4.200 6.656 1.00 0.00 C ATOM 0 H5' DG B 17 -3.094 -5.800 12.148 1.00 0.00 H new ATOM 0 H5'' DG B 17 -3.430 -4.392 13.135 1.00 0.00 H new ATOM 0 H4' DG B 17 -1.463 -3.966 11.883 1.00 0.00 H new ATOM 0 H3' DG B 17 -3.682 -2.164 11.673 1.00 0.00 H new ATOM 0 H2' DG B 17 -4.113 -2.715 9.357 1.00 0.00 H new ATOM 0 H2'' DG B 17 -2.906 -1.458 9.177 1.00 0.00 H new ATOM 0 H1' DG B 17 -1.091 -3.055 8.955 1.00 0.00 H new ATOM 0 H8 DG B 17 -4.557 -4.551 8.069 1.00 0.00 H new ATOM 0 H1 DG B 17 -0.047 -5.037 3.506 1.00 0.00 H new ATOM 0 H21 DG B 17 1.952 -3.344 5.813 1.00 0.00 H new ATOM 0 H22 DG B 17 1.821 -4.063 4.204 1.00 0.00 H new ATOM 534 P DA B 18 -1.853 -0.037 11.420 1.00 0.00 P ATOM 535 OP1 DA B 18 -1.197 0.498 12.631 1.00 0.00 O ATOM 536 OP2 DA B 18 -3.244 0.348 11.102 1.00 0.00 O ATOM 537 O5' DA B 18 -0.931 0.292 10.140 1.00 0.00 O ATOM 538 C5' DA B 18 0.470 0.069 10.164 1.00 0.00 C ATOM 539 C4' DA B 18 1.078 0.389 8.795 1.00 0.00 C ATOM 540 O4' DA B 18 0.473 -0.430 7.813 1.00 0.00 O ATOM 541 C3' DA B 18 0.866 1.845 8.365 1.00 0.00 C ATOM 542 O3' DA B 18 2.083 2.318 7.808 1.00 0.00 O ATOM 543 C2' DA B 18 -0.235 1.733 7.324 1.00 0.00 C ATOM 544 C1' DA B 18 0.104 0.379 6.715 1.00 0.00 C ATOM 545 N9 DA B 18 -1.040 -0.239 6.025 1.00 0.00 N ATOM 546 C8 DA B 18 -2.287 -0.461 6.537 1.00 0.00 C ATOM 547 N7 DA B 18 -3.056 -1.206 5.788 1.00 0.00 N ATOM 548 C5 DA B 18 -2.251 -1.478 4.684 1.00 0.00 C ATOM 549 C6 DA B 18 -2.444 -2.239 3.517 1.00 0.00 C ATOM 550 N6 DA B 18 -3.553 -2.936 3.284 1.00 0.00 N ATOM 551 N1 DA B 18 -1.444 -2.323 2.628 1.00 0.00 N ATOM 552 C2 DA B 18 -0.308 -1.684 2.869 1.00 0.00 C ATOM 553 N3 DA B 18 -0.001 -0.922 3.913 1.00 0.00 N ATOM 554 C4 DA B 18 -1.028 -0.872 4.805 1.00 0.00 C ATOM 0 H5' DA B 18 0.676 -0.968 10.429 1.00 0.00 H new ATOM 0 H5'' DA B 18 0.932 0.692 10.930 1.00 0.00 H new ATOM 0 H4' DA B 18 2.149 0.209 8.885 1.00 0.00 H new ATOM 0 H3' DA B 18 0.595 2.536 9.163 1.00 0.00 H new ATOM 0 H2' DA B 18 -1.230 1.751 7.768 1.00 0.00 H new ATOM 0 H2'' DA B 18 -0.198 2.539 6.591 1.00 0.00 H new ATOM 0 H1' DA B 18 0.887 0.488 5.964 1.00 0.00 H new ATOM 0 H8 DA B 18 -2.611 -0.054 7.484 1.00 0.00 H new ATOM 0 H61 DA B 18 -3.646 -3.473 2.422 1.00 0.00 H new ATOM 0 H62 DA B 18 -4.310 -2.933 3.968 1.00 0.00 H new ATOM 0 H2 DA B 18 0.465 -1.797 2.123 1.00 0.00 H new ATOM 566 P DA B 19 2.316 3.860 7.399 1.00 0.00 P ATOM 567 OP1 DA B 19 3.731 4.192 7.679 1.00 0.00 O ATOM 568 OP2 DA B 19 1.238 4.674 8.003 1.00 0.00 O ATOM 569 O5' DA B 19 2.102 3.879 5.799 1.00 0.00 O ATOM 570 C5' DA B 19 3.164 3.582 4.906 1.00 0.00 C ATOM 571 C4' DA B 19 2.751 3.875 3.465 1.00 0.00 C ATOM 572 O4' DA B 19 1.752 2.951 3.075 1.00 0.00 O ATOM 573 C3' DA B 19 2.195 5.290 3.274 1.00 0.00 C ATOM 574 O3' DA B 19 2.882 5.892 2.193 1.00 0.00 O ATOM 575 C2' DA B 19 0.715 5.033 2.992 1.00 0.00 C ATOM 576 C1' DA B 19 0.721 3.627 2.398 1.00 0.00 C ATOM 577 N9 DA B 19 -0.533 2.879 2.629 1.00 0.00 N ATOM 578 C8 DA B 19 -1.258 2.782 3.789 1.00 0.00 C ATOM 579 N7 DA B 19 -2.264 1.955 3.740 1.00 0.00 N ATOM 580 C5 DA B 19 -2.193 1.461 2.443 1.00 0.00 C ATOM 581 C6 DA B 19 -2.971 0.532 1.734 1.00 0.00 C ATOM 582 N6 DA B 19 -4.057 -0.019 2.272 1.00 0.00 N ATOM 583 N1 DA B 19 -2.597 0.175 0.494 1.00 0.00 N ATOM 584 C2 DA B 19 -1.515 0.740 -0.030 1.00 0.00 C ATOM 585 N3 DA B 19 -0.720 1.656 0.510 1.00 0.00 N ATOM 586 C4 DA B 19 -1.121 1.981 1.769 1.00 0.00 C ATOM 0 H5' DA B 19 3.446 2.534 5.003 1.00 0.00 H new ATOM 0 H5'' DA B 19 4.042 4.174 5.166 1.00 0.00 H new ATOM 0 H4' DA B 19 3.649 3.786 2.854 1.00 0.00 H new ATOM 0 H3' DA B 19 2.318 5.971 4.116 1.00 0.00 H new ATOM 0 H2' DA B 19 0.115 5.085 3.901 1.00 0.00 H new ATOM 0 H2'' DA B 19 0.303 5.764 2.296 1.00 0.00 H new ATOM 0 H1' DA B 19 0.846 3.696 1.317 1.00 0.00 H new ATOM 0 H8 DA B 19 -1.014 3.348 4.676 1.00 0.00 H new ATOM 0 H61 DA B 19 -4.606 -0.692 1.737 1.00 0.00 H new ATOM 0 H62 DA B 19 -4.340 0.232 3.219 1.00 0.00 H new ATOM 0 H2 DA B 19 -1.247 0.412 -1.024 1.00 0.00 H new ATOM 598 P DG B 20 2.607 7.413 1.729 1.00 0.00 P ATOM 599 OP1 DG B 20 3.893 8.019 1.328 1.00 0.00 O ATOM 600 OP2 DG B 20 1.752 8.075 2.738 1.00 0.00 O ATOM 601 O5' DG B 20 1.731 7.150 0.410 1.00 0.00 O ATOM 602 C5' DG B 20 2.325 6.593 -0.745 1.00 0.00 C ATOM 603 C4' DG B 20 1.251 6.309 -1.796 1.00 0.00 C ATOM 604 O4' DG B 20 0.330 5.355 -1.290 1.00 0.00 O ATOM 605 C3' DG B 20 0.464 7.575 -2.163 1.00 0.00 C ATOM 606 O3' DG B 20 0.458 7.713 -3.569 1.00 0.00 O ATOM 607 C2' DG B 20 -0.919 7.263 -1.597 1.00 0.00 C ATOM 608 C1' DG B 20 -0.969 5.740 -1.687 1.00 0.00 C ATOM 609 N9 DG B 20 -1.966 5.147 -0.770 1.00 0.00 N ATOM 610 C8 DG B 20 -2.135 5.418 0.561 1.00 0.00 C ATOM 611 N7 DG B 20 -3.022 4.675 1.157 1.00 0.00 N ATOM 612 C5 DG B 20 -3.515 3.875 0.132 1.00 0.00 C ATOM 613 C6 DG B 20 -4.548 2.897 0.153 1.00 0.00 C ATOM 614 O6 DG B 20 -5.235 2.557 1.109 1.00 0.00 O ATOM 615 N1 DG B 20 -4.750 2.293 -1.076 1.00 0.00 N ATOM 616 C2 DG B 20 -4.052 2.616 -2.214 1.00 0.00 C ATOM 617 N2 DG B 20 -4.372 1.987 -3.340 1.00 0.00 N ATOM 618 N3 DG B 20 -3.099 3.555 -2.258 1.00 0.00 N ATOM 619 C4 DG B 20 -2.875 4.149 -1.052 1.00 0.00 C ATOM 0 H5' DG B 20 2.847 5.672 -0.488 1.00 0.00 H new ATOM 0 H5'' DG B 20 3.069 7.279 -1.149 1.00 0.00 H new ATOM 0 H4' DG B 20 1.759 5.935 -2.685 1.00 0.00 H new ATOM 0 H3' DG B 20 0.864 8.512 -1.775 1.00 0.00 H new ATOM 0 H2' DG B 20 -1.027 7.614 -0.571 1.00 0.00 H new ATOM 0 H2'' DG B 20 -1.712 7.731 -2.179 1.00 0.00 H new ATOM 0 H1' DG B 20 -1.258 5.404 -2.683 1.00 0.00 H new ATOM 0 H8 DG B 20 -1.577 6.187 1.075 1.00 0.00 H new ATOM 0 H1 DG B 20 -5.460 1.564 -1.140 1.00 0.00 H new ATOM 0 H21 DG B 20 -3.874 2.202 -4.204 1.00 0.00 H new ATOM 0 H22 DG B 20 -5.116 1.289 -3.340 1.00 0.00 H new ATOM 631 P DG B 21 -0.106 9.030 -4.312 1.00 0.00 P ATOM 632 OP1 DG B 21 0.947 9.543 -5.216 1.00 0.00 O ATOM 633 OP2 DG B 21 -0.727 9.925 -3.311 1.00 0.00 O ATOM 634 O5' DG B 21 -1.279 8.386 -5.206 1.00 0.00 O ATOM 635 C5' DG B 21 -0.966 7.499 -6.262 1.00 0.00 C ATOM 636 C4' DG B 21 -2.245 6.939 -6.881 1.00 0.00 C ATOM 637 O4' DG B 21 -2.949 6.188 -5.903 1.00 0.00 O ATOM 638 C3' DG B 21 -3.164 8.040 -7.413 1.00 0.00 C ATOM 639 O3' DG B 21 -3.609 7.682 -8.708 1.00 0.00 O ATOM 640 C2' DG B 21 -4.269 8.055 -6.364 1.00 0.00 C ATOM 641 C1' DG B 21 -4.291 6.621 -5.828 1.00 0.00 C ATOM 642 N9 DG B 21 -4.704 6.566 -4.402 1.00 0.00 N ATOM 643 C8 DG B 21 -4.159 7.287 -3.371 1.00 0.00 C ATOM 644 N7 DG B 21 -4.596 6.969 -2.190 1.00 0.00 N ATOM 645 C5 DG B 21 -5.516 5.961 -2.447 1.00 0.00 C ATOM 646 C6 DG B 21 -6.309 5.210 -1.538 1.00 0.00 C ATOM 647 O6 DG B 21 -6.291 5.252 -0.310 1.00 0.00 O ATOM 648 N1 DG B 21 -7.167 4.326 -2.171 1.00 0.00 N ATOM 649 C2 DG B 21 -7.176 4.107 -3.526 1.00 0.00 C ATOM 650 N2 DG B 21 -7.987 3.158 -3.973 1.00 0.00 N ATOM 651 N3 DG B 21 -6.396 4.773 -4.392 1.00 0.00 N ATOM 652 C4 DG B 21 -5.596 5.700 -3.795 1.00 0.00 C ATOM 0 H5' DG B 21 -0.347 6.683 -5.889 1.00 0.00 H new ATOM 0 H5'' DG B 21 -0.384 8.019 -7.022 1.00 0.00 H new ATOM 0 H4' DG B 21 -1.953 6.311 -7.722 1.00 0.00 H new ATOM 0 H3' DG B 21 -2.715 9.025 -7.537 1.00 0.00 H new ATOM 0 H2' DG B 21 -4.058 8.774 -5.572 1.00 0.00 H new ATOM 0 H2'' DG B 21 -5.229 8.333 -6.799 1.00 0.00 H new ATOM 0 H1' DG B 21 -4.994 6.014 -6.398 1.00 0.00 H new ATOM 0 H8 DG B 21 -3.422 8.061 -3.529 1.00 0.00 H new ATOM 0 H1 DG B 21 -7.831 3.807 -1.596 1.00 0.00 H new ATOM 0 H21 DG B 21 -8.032 2.955 -4.971 1.00 0.00 H new ATOM 0 H22 DG B 21 -8.565 2.631 -3.318 1.00 0.00 H new ATOM 664 P DT B 22 -4.510 8.679 -9.606 1.00 0.00 P ATOM 665 OP1 DT B 22 -4.097 8.548 -11.018 1.00 0.00 O ATOM 666 OP2 DT B 22 -4.543 10.011 -8.964 1.00 0.00 O ATOM 667 O5' DT B 22 -5.952 7.999 -9.430 1.00 0.00 O ATOM 668 C5' DT B 22 -6.165 6.680 -9.895 1.00 0.00 C ATOM 669 C4' DT B 22 -7.530 6.158 -9.520 1.00 0.00 C ATOM 670 O4' DT B 22 -7.618 6.154 -8.109 1.00 0.00 O ATOM 671 C3' DT B 22 -8.648 7.054 -10.079 1.00 0.00 C ATOM 672 O3' DT B 22 -9.666 6.269 -10.676 1.00 0.00 O ATOM 673 C2' DT B 22 -9.123 7.776 -8.820 1.00 0.00 C ATOM 674 C1' DT B 22 -8.850 6.724 -7.743 1.00 0.00 C ATOM 675 N1 DT B 22 -8.727 7.255 -6.360 1.00 0.00 N ATOM 676 C2 DT B 22 -9.400 6.600 -5.335 1.00 0.00 C ATOM 677 O2 DT B 22 -10.263 5.765 -5.549 1.00 0.00 O ATOM 678 N3 DT B 22 -9.082 6.938 -4.034 1.00 0.00 N ATOM 679 C4 DT B 22 -8.182 7.931 -3.692 1.00 0.00 C ATOM 680 C5 DT B 22 -7.591 8.645 -4.805 1.00 0.00 C ATOM 681 C6 DT B 22 -7.871 8.287 -6.081 1.00 0.00 C ATOM 682 O4 DT B 22 -7.920 8.148 -2.517 1.00 0.00 O ATOM 695 C7 DT B 22 -6.690 9.833 -4.524 1.00 0.00 C ATOM 0 H5' DT B 22 -5.400 6.023 -9.482 1.00 0.00 H new ATOM 0 H5'' DT B 22 -6.054 6.656 -10.979 1.00 0.00 H new ATOM 0 H4' DT B 22 -7.655 5.159 -9.937 1.00 0.00 H new ATOM 0 H3' DT B 22 -8.337 7.738 -10.869 1.00 0.00 H new ATOM 0 H2' DT B 22 -8.569 8.698 -8.642 1.00 0.00 H new ATOM 0 H2'' DT B 22 -10.178 8.043 -8.874 1.00 0.00 H new ATOM 0 H1' DT B 22 -9.693 6.034 -7.706 1.00 0.00 H new ATOM 0 H3 DT B 22 -9.538 6.424 -3.280 1.00 0.00 H new ATOM 0 H71 DT B 22 -5.945 9.920 -5.315 1.00 0.00 H new ATOM 0 H72 DT B 22 -7.289 10.743 -4.488 1.00 0.00 H new ATOM 0 H73 DT B 22 -6.188 9.691 -3.567 1.00 0.00 H new ATOM 0 H6 DT B 22 -7.410 8.826 -6.895 1.00 0.00 H new ATOM 696 P DG B 23 -10.956 6.917 -11.396 1.00 0.00 P ATOM 697 OP1 DG B 23 -11.455 5.952 -12.401 1.00 0.00 O ATOM 698 OP2 DG B 23 -10.634 8.303 -11.796 1.00 0.00 O ATOM 699 O5' DG B 23 -12.023 6.976 -10.189 1.00 0.00 O ATOM 700 C5' DG B 23 -12.594 5.787 -9.677 1.00 0.00 C ATOM 701 C4' DG B 23 -13.444 6.060 -8.437 1.00 0.00 C ATOM 702 O4' DG B 23 -12.622 6.559 -7.393 1.00 0.00 O ATOM 703 C3' DG B 23 -14.573 7.073 -8.667 1.00 0.00 C ATOM 704 O3' DG B 23 -15.782 6.485 -8.216 1.00 0.00 O ATOM 705 C2' DG B 23 -14.112 8.238 -7.796 1.00 0.00 C ATOM 706 C1' DG B 23 -13.372 7.513 -6.672 1.00 0.00 C ATOM 707 N9 DG B 23 -12.458 8.398 -5.918 1.00 0.00 N ATOM 708 C8 DG B 23 -11.492 9.213 -6.439 1.00 0.00 C ATOM 709 N7 DG B 23 -10.741 9.796 -5.553 1.00 0.00 N ATOM 710 C5 DG B 23 -11.267 9.356 -4.342 1.00 0.00 C ATOM 711 C6 DG B 23 -10.872 9.662 -3.010 1.00 0.00 C ATOM 712 O6 DG B 23 -9.906 10.319 -2.637 1.00 0.00 O ATOM 713 N1 DG B 23 -11.705 9.107 -2.058 1.00 0.00 N ATOM 714 C2 DG B 23 -12.774 8.300 -2.346 1.00 0.00 C ATOM 715 N2 DG B 23 -13.492 7.848 -1.322 1.00 0.00 N ATOM 716 N3 DG B 23 -13.133 7.961 -3.592 1.00 0.00 N ATOM 717 C4 DG B 23 -12.341 8.522 -4.549 1.00 0.00 C ATOM 0 H5' DG B 23 -11.802 5.080 -9.428 1.00 0.00 H new ATOM 0 H5'' DG B 23 -13.210 5.318 -10.445 1.00 0.00 H new ATOM 0 H4' DG B 23 -13.902 5.105 -8.178 1.00 0.00 H new ATOM 0 H3' DG B 23 -14.757 7.382 -9.696 1.00 0.00 H new ATOM 0 H2' DG B 23 -13.461 8.922 -8.340 1.00 0.00 H new ATOM 0 H2'' DG B 23 -14.950 8.825 -7.421 1.00 0.00 H new ATOM 0 H1' DG B 23 -14.051 7.108 -5.921 1.00 0.00 H new ATOM 0 H8 DG B 23 -11.363 9.360 -7.501 1.00 0.00 H new ATOM 0 H1 DG B 23 -11.512 9.311 -1.078 1.00 0.00 H new ATOM 0 H21 DG B 23 -14.297 7.244 -1.490 1.00 0.00 H new ATOM 0 H22 DG B 23 -13.238 8.105 -0.368 1.00 0.00 H new ATOM 729 P DC B 24 -17.214 7.223 -8.304 1.00 0.00 P ATOM 730 OP1 DC B 24 -18.217 6.248 -8.782 1.00 0.00 O ATOM 731 OP2 DC B 24 -17.045 8.521 -8.997 1.00 0.00 O ATOM 732 O5' DC B 24 -17.501 7.525 -6.748 1.00 0.00 O ATOM 733 C5' DC B 24 -17.692 6.457 -5.837 1.00 0.00 C ATOM 734 C4' DC B 24 -17.770 6.979 -4.401 1.00 0.00 C ATOM 735 O4' DC B 24 -16.586 7.700 -4.123 1.00 0.00 O ATOM 736 C3' DC B 24 -18.959 7.917 -4.160 1.00 0.00 C ATOM 737 O3' DC B 24 -19.623 7.558 -2.967 1.00 0.00 O ATOM 738 C2' DC B 24 -18.314 9.282 -3.990 1.00 0.00 C ATOM 739 C1' DC B 24 -16.921 8.910 -3.477 1.00 0.00 C ATOM 740 N1 DC B 24 -15.900 9.929 -3.835 1.00 0.00 N ATOM 741 C2 DC B 24 -15.164 10.540 -2.827 1.00 0.00 C ATOM 742 O2 DC B 24 -15.456 10.384 -1.645 1.00 0.00 O ATOM 743 N3 DC B 24 -14.106 11.336 -3.160 1.00 0.00 N ATOM 744 C4 DC B 24 -13.810 11.555 -4.445 1.00 0.00 C ATOM 745 N4 DC B 24 -12.713 12.246 -4.725 1.00 0.00 N ATOM 746 C5 DC B 24 -14.593 10.998 -5.503 1.00 0.00 C ATOM 747 C6 DC B 24 -15.619 10.192 -5.147 1.00 0.00 C ATOM 0 H5' DC B 24 -16.872 5.745 -5.926 1.00 0.00 H new ATOM 0 H5'' DC B 24 -18.608 5.921 -6.085 1.00 0.00 H new ATOM 0 H4' DC B 24 -17.896 6.113 -3.752 1.00 0.00 H new ATOM 0 H3' DC B 24 -19.693 7.884 -4.965 1.00 0.00 H new ATOM 0 H2' DC B 24 -18.270 9.833 -4.930 1.00 0.00 H new ATOM 0 H2'' DC B 24 -18.858 9.905 -3.280 1.00 0.00 H new ATOM 0 HO3' DC B 24 -20.380 8.163 -2.819 1.00 0.00 H new ATOM 0 H1' DC B 24 -16.936 8.835 -2.390 1.00 0.00 H new ATOM 0 H41 DC B 24 -12.460 12.430 -5.696 1.00 0.00 H new ATOM 0 H42 DC B 24 -12.123 12.594 -3.969 1.00 0.00 H new ATOM 0 H5 DC B 24 -14.375 11.211 -6.539 1.00 0.00 H new ATOM 0 H6 DC B 24 -16.231 9.746 -5.917 1.00 0.00 H new TER 760 DC B 24 HETATM 761 C1D CCI B 25 -4.379 3.310 -11.270 1.00 0.00 C HETATM 762 C2D CCI B 25 -3.786 4.054 -10.075 1.00 0.00 C HETATM 763 C3D CCI B 25 -2.483 3.348 -9.678 1.00 0.00 C HETATM 764 C4D CCI B 25 -1.534 3.341 -10.888 1.00 0.00 C HETATM 765 C5D CCI B 25 -2.257 2.669 -12.067 1.00 0.00 C HETATM 766 C6D CCI B 25 -1.429 2.685 -13.350 1.00 0.00 C HETATM 767 OCD CCI B 25 -4.653 1.955 -10.946 1.00 0.00 O HETATM 768 O2D CCI B 25 -3.477 5.384 -10.438 1.00 0.00 O HETATM 769 O3D CCI B 25 -1.873 3.962 -8.558 1.00 0.00 O HETATM 770 O4D CCI B 25 -0.371 2.590 -10.556 1.00 0.00 O HETATM 771 OD CCI B 25 -3.475 3.338 -12.358 1.00 0.00 O HETATM 772 C7D CCI B 25 -2.423 3.546 -7.320 1.00 0.00 C HETATM 773 C4C CCI B 25 -5.677 1.622 -9.996 1.00 0.00 C HETATM 774 C5C CCI B 25 -7.004 1.887 -10.326 1.00 0.00 C HETATM 775 C6C CCI B 25 -7.981 1.895 -9.317 1.00 0.00 C HETATM 776 C1C CCI B 25 -7.639 1.583 -7.976 1.00 0.00 C HETATM 777 C2C CCI B 25 -6.317 1.115 -7.708 1.00 0.00 C HETATM 778 I CCI B 25 -2.754 -0.486 -8.440 1.00 0.00 I HETATM 779 O5C CCI B 25 -7.334 2.259 -11.693 1.00 0.00 O HETATM 780 C8C CCI B 25 -7.000 1.430 -12.794 1.00 0.00 C HETATM 781 O6C CCI B 25 -9.343 2.152 -9.718 1.00 0.00 O HETATM 782 C9C CCI B 25 -9.713 3.437 -10.164 1.00 0.00 C HETATM 783 C7C CCI B 25 -5.858 0.729 -6.312 1.00 0.00 C HETATM 784 CBC CCI B 25 -8.575 1.752 -6.923 1.00 0.00 C HETATM 785 OBC CCI B 25 -8.505 1.118 -5.872 1.00 0.00 O HETATM 786 SBC CCI B 25 -9.907 2.951 -6.899 1.00 0.00 S HETATM 787 C1B CCI B 25 -14.034 2.013 -5.085 1.00 0.00 C HETATM 788 C2B CCI B 25 -13.004 2.735 -4.199 1.00 0.00 C HETATM 789 C3B CCI B 25 -11.896 3.394 -5.018 1.00 0.00 C HETATM 790 C4B CCI B 25 -11.262 2.294 -5.875 1.00 0.00 C HETATM 791 C5B CCI B 25 -12.353 1.622 -6.719 1.00 0.00 C HETATM 792 C6B CCI B 25 -11.792 0.537 -7.642 1.00 0.00 C HETATM 793 OAB CCI B 25 -14.921 1.471 -4.059 1.00 0.00 O HETATM 794 O3B CCI B 25 -12.518 4.365 -5.825 1.00 0.00 O HETATM 795 OB CCI B 25 -13.298 1.037 -5.839 1.00 0.00 O HETATM 796 C1A CCI B 25 -18.785 0.504 -2.343 1.00 0.00 C HETATM 797 C2A CCI B 25 -18.105 -0.804 -2.797 1.00 0.00 C HETATM 798 C3A CCI B 25 -16.855 -0.508 -3.636 1.00 0.00 C HETATM 799 C4A CCI B 25 -17.002 0.669 -4.616 1.00 0.00 C HETATM 800 C5A CCI B 25 -17.699 1.857 -3.934 1.00 0.00 C HETATM 801 C6A CCI B 25 -17.998 2.985 -4.927 1.00 0.00 C HETATM 802 ORA CCI B 25 -20.056 0.273 -1.764 1.00 0.00 O HETATM 803 OEA CCI B 25 -17.621 -1.527 -1.662 1.00 0.00 O HETATM 804 O3A CCI B 25 -16.501 -1.666 -4.366 1.00 0.00 O HETATM 805 NAB CCI B 25 -15.695 1.072 -5.118 1.00 0.00 N HETATM 806 OA CCI B 25 -18.933 1.427 -3.407 1.00 0.00 O HETATM 807 CAN CCI B 25 -20.991 -0.282 -2.671 1.00 0.00 C HETATM 808 C1E CCI B 25 -18.344 -2.699 -1.313 1.00 0.00 C HETATM 809 C2E CCI B 25 -17.527 -3.520 -0.308 1.00 0.00 C HETATM 810 C3E CCI B 25 -17.391 -2.768 1.021 1.00 0.00 C HETATM 811 C4E CCI B 25 -18.788 -2.410 1.531 1.00 0.00 C HETATM 812 C5E CCI B 25 -19.528 -1.629 0.446 1.00 0.00 C HETATM 813 O3E CCI B 25 -16.796 -3.549 2.050 1.00 0.00 O HETATM 814 C6E CCI B 25 -15.427 -3.855 1.843 1.00 0.00 C HETATM 815 N4E CCI B 25 -18.666 -1.680 2.814 1.00 0.00 N HETATM 816 C7E CCI B 25 -19.918 -1.299 3.509 1.00 0.00 C HETATM 817 C8E CCI B 25 -20.337 0.149 3.216 1.00 0.00 C HETATM 818 OE CCI B 25 -19.604 -2.395 -0.748 1.00 0.00 O HETATM 819 C3C CCI B 25 -5.348 1.118 -8.733 1.00 0.00 C HETATM 0 HOD2 CCI B 25 -3.450 5.944 -9.635 1.00 0.00 H new HETATM 0 HOB3 CCI B 25 -11.898 5.108 -5.979 1.00 0.00 H new HETATM 0 HOA3 CCI B 25 -15.823 -2.170 -3.870 1.00 0.00 H new HETATM 0 HNE2 CCI B 25 -17.753 -1.448 3.205 1.00 0.00 H new HETATM 0 HAN3 CCI B 25 -21.131 0.399 -3.511 1.00 0.00 H new HETATM 0 HAN2 CCI B 25 -20.619 -1.238 -3.038 1.00 0.00 H new HETATM 0 HAN1 CCI B 25 -21.944 -0.434 -2.164 1.00 0.00 H new HETATM 0 H9C3 CCI B 25 -9.529 4.164 -9.373 1.00 0.00 H new HETATM 0 H9C2 CCI B 25 -9.125 3.701 -11.043 1.00 0.00 H new HETATM 0 H9C1 CCI B 25 -10.772 3.442 -10.422 1.00 0.00 H new HETATM 0 H8E3 CCI B 25 -19.551 0.829 3.545 1.00 0.00 H new HETATM 0 H8E2 CCI B 25 -20.498 0.272 2.145 1.00 0.00 H new HETATM 0 H8E1 CCI B 25 -21.260 0.376 3.750 1.00 0.00 H new HETATM 0 H8C3 CCI B 25 -5.919 1.293 -12.831 1.00 0.00 H new HETATM 0 H8C2 CCI B 25 -7.485 0.461 -12.680 1.00 0.00 H new HETATM 0 H8C1 CCI B 25 -7.338 1.899 -13.718 1.00 0.00 H new HETATM 0 H7E2 CCI B 25 -20.718 -1.974 3.205 1.00 0.00 H new HETATM 0 H7E1 CCI B 25 -19.786 -1.425 4.584 1.00 0.00 H new HETATM 0 H7D3 CCI B 25 -3.484 3.794 -7.292 1.00 0.00 H new HETATM 0 H7D2 CCI B 25 -2.299 2.469 -7.210 1.00 0.00 H new HETATM 0 H7D1 CCI B 25 -1.910 4.055 -6.504 1.00 0.00 H new HETATM 0 H7C3 CCI B 25 -5.453 -0.283 -6.329 1.00 0.00 H new HETATM 0 H7C2 CCI B 25 -5.087 1.423 -5.978 1.00 0.00 H new HETATM 0 H7C1 CCI B 25 -6.704 0.770 -5.626 1.00 0.00 H new HETATM 0 H6E3 CCI B 25 -15.316 -4.418 0.916 1.00 0.00 H new HETATM 0 H6E2 CCI B 25 -14.853 -2.930 1.777 1.00 0.00 H new HETATM 0 H6E1 CCI B 25 -15.058 -4.453 2.676 1.00 0.00 H new HETATM 0 H6D3 CCI B 25 -1.216 3.716 -13.632 1.00 0.00 H new HETATM 0 H6D2 CCI B 25 -0.492 2.153 -13.185 1.00 0.00 H new HETATM 0 H6D1 CCI B 25 -1.987 2.198 -14.149 1.00 0.00 H new HETATM 0 H6B3 CCI B 25 -11.065 0.979 -8.323 1.00 0.00 H new HETATM 0 H6B2 CCI B 25 -11.307 -0.234 -7.044 1.00 0.00 H new HETATM 0 H6B1 CCI B 25 -12.604 0.093 -8.217 1.00 0.00 H new HETATM 0 H6A3 CCI B 25 -17.066 3.340 -5.365 1.00 0.00 H new HETATM 0 H6A2 CCI B 25 -18.651 2.612 -5.716 1.00 0.00 H new HETATM 0 H6A1 CCI B 25 -18.491 3.806 -4.407 1.00 0.00 H new HETATM 0 H5E2 CCI B 25 -20.532 -1.378 0.790 1.00 0.00 H new HETATM 0 H5E1 CCI B 25 -19.013 -0.688 0.250 1.00 0.00 H new HETATM 0 H2E2 CCI B 25 -18.010 -4.483 -0.139 1.00 0.00 H new HETATM 0 H2E1 CCI B 25 -16.538 -3.727 -0.718 1.00 0.00 H new HETATM 0 H2B2 CCI B 25 -13.510 3.493 -3.601 1.00 0.00 H new HETATM 0 H2B1 CCI B 25 -12.563 2.021 -3.503 1.00 0.00 H new HETATM 0 HAB CCI B 25 -15.404 1.059 -6.096 1.00 0.00 H new HETATM 0 H5D CCI B 25 -2.430 1.639 -11.755 1.00 0.00 H new HETATM 0 H5B CCI B 25 -12.810 2.383 -7.351 1.00 0.00 H new HETATM 0 H5A CCI B 25 -17.030 2.227 -3.157 1.00 0.00 H new HETATM 0 H4E CCI B 25 -19.380 -3.302 1.736 1.00 0.00 H new HETATM 0 H4D CCI B 25 -1.248 4.358 -11.156 1.00 0.00 H new HETATM 0 H4B CCI B 25 -10.815 1.541 -5.226 1.00 0.00 H new HETATM 0 H4A CCI B 25 -17.617 0.344 -5.455 1.00 0.00 H new HETATM 0 H3E CCI B 25 -16.763 -1.901 0.817 1.00 0.00 H new HETATM 0 H3D CCI B 25 -2.712 2.323 -9.385 1.00 0.00 H new HETATM 0 H3B CCI B 25 -11.125 3.864 -4.408 1.00 0.00 H new HETATM 0 H3A CCI B 25 -16.081 -0.218 -2.925 1.00 0.00 H new HETATM 0 H2D CCI B 25 -4.502 4.060 -9.253 1.00 0.00 H new HETATM 0 H2A CCI B 25 -18.850 -1.364 -3.363 1.00 0.00 H new HETATM 0 H1E CCI B 25 -18.514 -3.269 -2.227 1.00 0.00 H new HETATM 0 H1D CCI B 25 -5.310 3.809 -11.539 1.00 0.00 H new HETATM 0 H1B CCI B 25 -14.597 2.583 -5.824 1.00 0.00 H new HETATM 0 H1A CCI B 25 -18.121 0.929 -1.590 1.00 0.00 H new HETATM 881 C1 NBU B 26 0.752 3.427 -10.326 1.00 0.00 C HETATM 882 C2 NBU B 26 1.909 2.642 -9.703 1.00 0.00 C HETATM 883 C3 NBU B 26 1.605 2.240 -8.253 1.00 0.00 C HETATM 884 C4 NBU B 26 2.889 1.763 -7.566 1.00 0.00 C HETATM 0 H43 NBU B 26 3.290 0.903 -8.102 1.00 0.00 H new HETATM 0 H42 NBU B 26 3.624 2.568 -7.570 1.00 0.00 H new HETATM 0 H32 NBU B 26 1.185 3.088 -7.711 1.00 0.00 H new HETATM 0 H31 NBU B 26 0.856 1.448 -8.235 1.00 0.00 H new HETATM 0 H22 NBU B 26 2.103 1.748 -10.296 1.00 0.00 H new HETATM 0 H21 NBU B 26 2.816 3.246 -9.731 1.00 0.00 H new HETATM 0 H12 NBU B 26 0.575 4.334 -9.748 1.00 0.00 H new HETATM 0 H11 NBU B 26 1.004 3.694 -11.352 1.00 0.00 H new HETATM 893 C1D CCI B 27 3.015 -0.826 13.217 1.00 0.00 C HETATM 894 C2D CCI B 27 1.603 -1.210 13.658 1.00 0.00 C HETATM 895 C3D CCI B 27 1.657 -2.218 14.815 1.00 0.00 C HETATM 896 C4D CCI B 27 2.514 -1.616 15.935 1.00 0.00 C HETATM 897 C5D CCI B 27 3.886 -1.199 15.387 1.00 0.00 C HETATM 898 C6D CCI B 27 4.714 -0.512 16.477 1.00 0.00 C HETATM 899 OCD CCI B 27 3.708 -1.920 12.650 1.00 0.00 O HETATM 900 O2D CCI B 27 0.950 -0.027 14.081 1.00 0.00 O HETATM 901 O3D CCI B 27 0.358 -2.492 15.323 1.00 0.00 O HETATM 902 O4D CCI B 27 2.698 -2.582 16.950 1.00 0.00 O HETATM 903 OD CCI B 27 3.743 -0.287 14.309 1.00 0.00 O HETATM 904 C7D CCI B 27 -0.426 -3.325 14.488 1.00 0.00 C HETATM 905 C4C CCI B 27 3.936 -1.963 11.223 1.00 0.00 C HETATM 906 C5C CCI B 27 4.737 -0.992 10.602 1.00 0.00 C HETATM 907 C6C CCI B 27 4.830 -0.942 9.201 1.00 0.00 C HETATM 908 C1C CCI B 27 4.025 -1.792 8.398 1.00 0.00 C HETATM 909 C2C CCI B 27 3.157 -2.706 9.052 1.00 0.00 C HETATM 910 I CCI B 27 1.672 -5.115 11.776 1.00 0.00 I HETATM 911 O5C CCI B 27 5.293 0.085 11.390 1.00 0.00 O HETATM 912 C8C CCI B 27 6.326 -0.154 12.316 1.00 0.00 C HETATM 913 O6C CCI B 27 5.835 -0.071 8.621 1.00 0.00 O HETATM 914 C9C CCI B 27 5.653 1.333 8.570 1.00 0.00 C HETATM 915 C7C CCI B 27 2.022 -3.386 8.328 1.00 0.00 C HETATM 916 CBC CCI B 27 4.045 -1.715 6.982 1.00 0.00 C HETATM 917 OBC CCI B 27 3.674 -2.640 6.264 1.00 0.00 O HETATM 918 SBC CCI B 27 4.565 -0.283 6.054 1.00 0.00 S HETATM 919 C1B CCI B 27 4.005 0.448 1.655 1.00 0.00 C HETATM 920 C2B CCI B 27 3.166 -0.692 2.229 1.00 0.00 C HETATM 921 C3B CCI B 27 3.175 -0.699 3.751 1.00 0.00 C HETATM 922 C4B CCI B 27 4.609 -0.636 4.275 1.00 0.00 C HETATM 923 C5B CCI B 27 5.410 0.460 3.561 1.00 0.00 C HETATM 924 C6B CCI B 27 6.881 0.438 3.982 1.00 0.00 C HETATM 925 OAB CCI B 27 3.894 0.136 0.230 1.00 0.00 O HETATM 926 O3B CCI B 27 2.436 0.410 4.191 1.00 0.00 O HETATM 927 OB CCI B 27 5.333 0.271 2.160 1.00 0.00 O HETATM 928 C1A CCI B 27 3.924 0.949 -4.107 1.00 0.00 C HETATM 929 C2A CCI B 27 5.367 0.997 -3.574 1.00 0.00 C HETATM 930 C3A CCI B 27 5.374 0.731 -2.067 1.00 0.00 C HETATM 931 C4A CCI B 27 4.408 1.685 -1.359 1.00 0.00 C HETATM 932 C5A CCI B 27 3.014 1.533 -1.996 1.00 0.00 C HETATM 933 C6A CCI B 27 1.991 2.464 -1.343 1.00 0.00 C HETATM 934 ORA CCI B 27 3.951 1.326 -5.473 1.00 0.00 O HETATM 935 OEA CCI B 27 6.184 -0.019 -4.155 1.00 0.00 O HETATM 936 O3A CCI B 27 6.684 0.896 -1.559 1.00 0.00 O HETATM 937 NAB CCI B 27 4.374 1.404 0.066 1.00 0.00 N HETATM 938 OA CCI B 27 3.101 1.849 -3.376 1.00 0.00 O HETATM 939 CAN CCI B 27 2.673 1.446 -6.081 1.00 0.00 C HETATM 940 C1E CCI B 27 7.185 0.459 -5.043 1.00 0.00 C HETATM 941 C2E CCI B 27 8.290 -0.593 -5.170 1.00 0.00 C HETATM 942 C3E CCI B 27 7.735 -1.859 -5.825 1.00 0.00 C HETATM 943 C4E CCI B 27 7.079 -1.498 -7.158 1.00 0.00 C HETATM 944 C5E CCI B 27 6.042 -0.389 -6.936 1.00 0.00 C HETATM 945 O3E CCI B 27 8.732 -2.827 -6.108 1.00 0.00 O HETATM 946 C6E CCI B 27 9.353 -3.376 -4.957 1.00 0.00 C HETATM 947 N4E CCI B 27 6.504 -2.728 -7.746 1.00 0.00 N HETATM 948 C7E CCI B 27 5.855 -2.595 -9.071 1.00 0.00 C HETATM 949 C8E CCI B 27 5.399 -3.958 -9.610 1.00 0.00 C HETATM 950 OE CCI B 27 6.650 0.737 -6.326 1.00 0.00 O HETATM 951 C3C CCI B 27 3.180 -2.843 10.448 1.00 0.00 C HETATM 0 HOD4 CCI B 27 1.904 -3.153 17.006 1.00 0.00 H new HETATM 0 HOD2 CCI B 27 0.113 0.080 13.583 1.00 0.00 H new HETATM 0 HOB3 CCI B 27 1.487 0.270 3.993 1.00 0.00 H new HETATM 0 HOA3 CCI B 27 7.336 0.643 -2.246 1.00 0.00 H new HETATM 0 HNE2 CCI B 27 6.552 -3.625 -7.262 1.00 0.00 H new HETATM 0 HAN3 CCI B 27 2.154 0.489 -6.029 1.00 0.00 H new HETATM 0 HAN2 CCI B 27 2.090 2.204 -5.557 1.00 0.00 H new HETATM 0 H9C3 CCI B 27 4.759 1.563 7.990 1.00 0.00 H new HETATM 0 H9C2 CCI B 27 5.540 1.722 9.582 1.00 0.00 H new HETATM 0 H9C1 CCI B 27 6.520 1.795 8.098 1.00 0.00 H new HETATM 0 H8E3 CCI B 27 6.262 -4.616 -9.712 1.00 0.00 H new HETATM 0 H8E2 CCI B 27 4.684 -4.402 -8.918 1.00 0.00 H new HETATM 0 H8E1 CCI B 27 4.927 -3.825 -10.583 1.00 0.00 H new HETATM 0 H8C3 CCI B 27 5.984 -0.867 13.066 1.00 0.00 H new HETATM 0 H8C2 CCI B 27 7.193 -0.562 11.797 1.00 0.00 H new HETATM 0 H8C1 CCI B 27 6.602 0.781 12.803 1.00 0.00 H new HETATM 0 H7E2 CCI B 27 4.997 -1.927 -8.992 1.00 0.00 H new HETATM 0 H7E1 CCI B 27 6.551 -2.138 -9.775 1.00 0.00 H new HETATM 0 H7D3 CCI B 27 -0.556 -2.848 13.517 1.00 0.00 H new HETATM 0 H7D2 CCI B 27 0.075 -4.284 14.357 1.00 0.00 H new HETATM 0 H7D1 CCI B 27 -1.402 -3.486 14.947 1.00 0.00 H new HETATM 0 H7C3 CCI B 27 2.058 -4.458 8.521 1.00 0.00 H new HETATM 0 H7C2 CCI B 27 1.072 -2.985 8.682 1.00 0.00 H new HETATM 0 H7C1 CCI B 27 2.115 -3.207 7.257 1.00 0.00 H new HETATM 0 H6E3 CCI B 27 9.833 -2.580 -4.388 1.00 0.00 H new HETATM 0 H6E2 CCI B 27 8.602 -3.864 -4.336 1.00 0.00 H new HETATM 0 H6E1 CCI B 27 10.102 -4.107 -5.261 1.00 0.00 H new HETATM 0 H6D3 CCI B 27 4.189 0.376 16.827 1.00 0.00 H new HETATM 0 H6D2 CCI B 27 4.860 -1.199 17.310 1.00 0.00 H new HETATM 0 H6D1 CCI B 27 5.683 -0.223 16.070 1.00 0.00 H new HETATM 0 H6B3 CCI B 27 6.954 0.600 5.057 1.00 0.00 H new HETATM 0 H6B2 CCI B 27 7.317 -0.529 3.731 1.00 0.00 H new HETATM 0 H6B1 CCI B 27 7.421 1.227 3.458 1.00 0.00 H new HETATM 0 H6A3 CCI B 27 1.911 2.229 -0.282 1.00 0.00 H new HETATM 0 H6A2 CCI B 27 2.312 3.499 -1.463 1.00 0.00 H new HETATM 0 H6A1 CCI B 27 1.020 2.328 -1.819 1.00 0.00 H new HETATM 0 H5E2 CCI B 27 5.599 -0.100 -7.889 1.00 0.00 H new HETATM 0 H5E1 CCI B 27 5.232 -0.759 -6.307 1.00 0.00 H new HETATM 0 H2E2 CCI B 27 9.113 -0.197 -5.764 1.00 0.00 H new HETATM 0 H2E1 CCI B 27 8.693 -0.830 -4.185 1.00 0.00 H new HETATM 0 H2B2 CCI B 27 2.140 -0.601 1.873 1.00 0.00 H new HETATM 0 H2B1 CCI B 27 3.548 -1.644 1.860 1.00 0.00 H new HETATM 0 HAB CCI B 27 4.658 2.040 0.811 1.00 0.00 H new HETATM 0 H5D CCI B 27 4.387 -2.105 15.045 1.00 0.00 H new HETATM 0 H5B CCI B 27 4.981 1.423 3.839 1.00 0.00 H new HETATM 0 H5A CCI B 27 2.685 0.504 -1.850 1.00 0.00 H new HETATM 0 H4E CCI B 27 7.807 -1.103 -7.867 1.00 0.00 H new HETATM 0 H4D CCI B 27 2.007 -0.739 16.337 1.00 0.00 H new HETATM 0 H4B CCI B 27 5.095 -1.593 4.085 1.00 0.00 H new HETATM 0 H4A CCI B 27 4.743 2.715 -1.477 1.00 0.00 H new HETATM 0 H3E CCI B 27 7.028 -2.282 -5.111 1.00 0.00 H new HETATM 0 H3D CCI B 27 2.083 -3.153 14.450 1.00 0.00 H new HETATM 0 H3B CCI B 27 2.728 -1.619 4.129 1.00 0.00 H new HETATM 0 H3A CCI B 27 5.048 -0.293 -1.884 1.00 0.00 H new HETATM 0 H2D CCI B 27 1.065 -1.675 12.832 1.00 0.00 H new HETATM 0 H2A CCI B 27 5.755 1.984 -3.823 1.00 0.00 H new HETATM 0 H1E CCI B 27 7.589 1.386 -4.636 1.00 0.00 H new HETATM 0 H1D CCI B 27 2.921 -0.065 12.442 1.00 0.00 H new HETATM 0 H1B CCI B 27 3.719 1.474 1.887 1.00 0.00 H new HETATM 0 H1A CCI B 27 3.516 -0.056 -3.995 1.00 0.00 H new