USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 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 Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.264 (180deg=-0.264) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.264 (180deg=-0.264) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.256 10.825 24.538 1.00 0.00 O ATOM 2 C5' DG A 1 5.091 11.559 24.851 1.00 0.00 C ATOM 3 C4' DG A 1 3.890 11.073 24.031 1.00 0.00 C ATOM 4 O4' DG A 1 4.131 11.271 22.644 1.00 0.00 O ATOM 5 C3' DG A 1 3.545 9.594 24.263 1.00 0.00 C ATOM 6 O3' DG A 1 2.140 9.433 24.364 1.00 0.00 O ATOM 7 C2' DG A 1 4.110 8.996 22.985 1.00 0.00 C ATOM 8 C1' DG A 1 3.777 10.082 21.972 1.00 0.00 C ATOM 9 N9 DG A 1 4.537 9.914 20.707 1.00 0.00 N ATOM 10 C8 DG A 1 5.900 9.881 20.507 1.00 0.00 C ATOM 11 N7 DG A 1 6.254 9.751 19.260 1.00 0.00 N ATOM 12 C5 DG A 1 5.048 9.700 18.572 1.00 0.00 C ATOM 13 C6 DG A 1 4.800 9.597 17.170 1.00 0.00 C ATOM 14 O6 DG A 1 5.624 9.527 16.261 1.00 0.00 O ATOM 15 N1 DG A 1 3.439 9.583 16.871 1.00 0.00 N ATOM 16 C2 DG A 1 2.432 9.674 17.815 1.00 0.00 C ATOM 17 N2 DG A 1 1.171 9.636 17.373 1.00 0.00 N ATOM 18 N3 DG A 1 2.666 9.793 19.132 1.00 0.00 N ATOM 19 C4 DG A 1 3.991 9.800 19.447 1.00 0.00 C ATOM 0 H5' DG A 1 5.262 12.618 24.657 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.872 11.461 25.914 1.00 0.00 H new ATOM 0 H4' DG A 1 3.039 11.665 24.370 1.00 0.00 H new ATOM 0 H3' DG A 1 3.936 9.143 25.175 1.00 0.00 H new ATOM 0 H2' DG A 1 5.183 8.815 23.055 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.642 8.044 22.735 1.00 0.00 H new ATOM 0 HO5' DG A 1 7.006 11.157 25.074 1.00 0.00 H new ATOM 0 H1' DG A 1 2.732 10.065 21.663 1.00 0.00 H new ATOM 0 H8 DG A 1 6.613 9.956 21.314 1.00 0.00 H new ATOM 0 H1 DG A 1 3.167 9.500 15.891 1.00 0.00 H new ATOM 0 H21 DG A 1 0.397 9.700 18.034 1.00 0.00 H new ATOM 0 H22 DG A 1 0.983 9.543 16.375 1.00 0.00 H new ATOM 32 P DC A 2 1.442 7.990 24.574 1.00 0.00 P ATOM 33 OP1 DC A 2 0.391 8.135 25.605 1.00 0.00 O ATOM 34 OP2 DC A 2 2.497 6.966 24.745 1.00 0.00 O ATOM 35 O5' DC A 2 0.725 7.738 23.147 1.00 0.00 O ATOM 36 C5' DC A 2 -0.392 8.512 22.754 1.00 0.00 C ATOM 37 C4' DC A 2 -1.144 7.985 21.534 1.00 0.00 C ATOM 38 O4' DC A 2 -0.373 8.105 20.351 1.00 0.00 O ATOM 39 C3' DC A 2 -1.509 6.516 21.749 1.00 0.00 C ATOM 40 O3' DC A 2 -2.820 6.284 21.259 1.00 0.00 O ATOM 41 C2' DC A 2 -0.405 5.851 20.964 1.00 0.00 C ATOM 42 C1' DC A 2 -0.197 6.816 19.800 1.00 0.00 C ATOM 43 N1 DC A 2 1.175 6.692 19.262 1.00 0.00 N ATOM 44 C2 DC A 2 1.397 6.490 17.899 1.00 0.00 C ATOM 45 O2 DC A 2 0.470 6.473 17.092 1.00 0.00 O ATOM 46 N3 DC A 2 2.682 6.310 17.474 1.00 0.00 N ATOM 47 C4 DC A 2 3.707 6.300 18.342 1.00 0.00 C ATOM 48 N4 DC A 2 4.951 6.162 17.875 1.00 0.00 N ATOM 49 C5 DC A 2 3.487 6.530 19.741 1.00 0.00 C ATOM 50 C6 DC A 2 2.225 6.748 20.135 1.00 0.00 C ATOM 0 H5' DC A 2 -0.056 9.528 22.544 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.086 8.573 23.592 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.046 8.585 21.415 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.556 6.152 22.775 1.00 0.00 H new ATOM 0 H2' DC A 2 0.501 5.732 21.559 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.693 4.858 20.621 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.888 6.613 18.982 1.00 0.00 H new ATOM 0 H41 DC A 2 5.740 6.152 18.521 1.00 0.00 H new ATOM 0 H42 DC A 2 5.112 6.066 16.872 1.00 0.00 H new ATOM 0 H5 DC A 2 4.304 6.528 20.447 1.00 0.00 H new ATOM 0 H6 DC A 2 2.032 6.975 21.173 1.00 0.00 H new ATOM 62 P DG A 3 -3.445 4.806 21.069 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.910 4.897 21.256 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.660 3.840 21.869 1.00 0.00 O ATOM 65 O5' DG A 3 -3.148 4.544 19.502 1.00 0.00 O ATOM 66 C5' DG A 3 -3.795 5.331 18.519 1.00 0.00 C ATOM 67 C4' DG A 3 -3.575 4.835 17.100 1.00 0.00 C ATOM 68 O4' DG A 3 -2.209 4.878 16.731 1.00 0.00 O ATOM 69 C3' DG A 3 -4.109 3.406 17.005 1.00 0.00 C ATOM 70 O3' DG A 3 -5.123 3.316 16.019 1.00 0.00 O ATOM 71 C2' DG A 3 -2.832 2.645 16.702 1.00 0.00 C ATOM 72 C1' DG A 3 -1.869 3.660 16.103 1.00 0.00 C ATOM 73 N9 DG A 3 -0.454 3.360 16.413 1.00 0.00 N ATOM 74 C8 DG A 3 0.131 3.218 17.645 1.00 0.00 C ATOM 75 N7 DG A 3 1.432 3.248 17.632 1.00 0.00 N ATOM 76 C5 DG A 3 1.739 3.390 16.285 1.00 0.00 C ATOM 77 C6 DG A 3 3.004 3.537 15.646 1.00 0.00 C ATOM 78 O6 DG A 3 4.101 3.691 16.176 1.00 0.00 O ATOM 79 N1 DG A 3 2.900 3.492 14.258 1.00 0.00 N ATOM 80 C2 DG A 3 1.706 3.419 13.563 1.00 0.00 C ATOM 81 N2 DG A 3 1.766 3.397 12.228 1.00 0.00 N ATOM 82 N3 DG A 3 0.508 3.401 14.167 1.00 0.00 N ATOM 83 C4 DG A 3 0.594 3.377 15.525 1.00 0.00 C ATOM 0 H5' DG A 3 -3.438 6.358 18.595 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.865 5.349 18.727 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.107 5.489 16.409 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.613 3.014 17.888 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.418 2.202 17.608 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.021 1.828 16.005 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.955 3.667 15.016 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.441 3.092 18.552 1.00 0.00 H new ATOM 0 H1 DG A 3 3.764 3.514 13.716 1.00 0.00 H new ATOM 0 H21 DG A 3 0.908 3.344 11.680 1.00 0.00 H new ATOM 0 H22 DG A 3 2.670 3.434 11.758 1.00 0.00 H new ATOM 95 P DT A 4 -5.852 1.919 15.648 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.088 2.226 14.894 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.913 1.070 16.858 1.00 0.00 O ATOM 98 O5' DT A 4 -4.780 1.283 14.628 1.00 0.00 O ATOM 99 C5' DT A 4 -4.402 2.002 13.475 1.00 0.00 C ATOM 100 C4' DT A 4 -3.201 1.416 12.742 1.00 0.00 C ATOM 101 O4' DT A 4 -2.041 1.559 13.533 1.00 0.00 O ATOM 102 C3' DT A 4 -3.355 -0.067 12.373 1.00 0.00 C ATOM 103 O3' DT A 4 -3.387 -0.193 10.963 1.00 0.00 O ATOM 104 C2' DT A 4 -2.124 -0.683 13.037 1.00 0.00 C ATOM 105 C1' DT A 4 -1.180 0.506 13.179 1.00 0.00 C ATOM 106 N1 DT A 4 -0.179 0.258 14.238 1.00 0.00 N ATOM 107 C2 DT A 4 1.179 0.214 13.925 1.00 0.00 C ATOM 108 O2 DT A 4 1.612 0.237 12.775 1.00 0.00 O ATOM 109 N3 DT A 4 2.049 0.142 15.005 1.00 0.00 N ATOM 110 C4 DT A 4 1.681 0.060 16.342 1.00 0.00 C ATOM 111 O4 DT A 4 2.542 0.025 17.217 1.00 0.00 O ATOM 112 C5 DT A 4 0.246 0.025 16.566 1.00 0.00 C ATOM 113 C7 DT A 4 -0.314 -0.120 17.961 1.00 0.00 C ATOM 114 C6 DT A 4 -0.614 0.128 15.529 1.00 0.00 C ATOM 0 H5' DT A 4 -4.175 3.030 13.759 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.249 2.040 12.790 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.124 1.975 11.809 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.270 -0.557 12.706 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.365 -1.124 14.004 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.689 -1.473 12.426 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.607 0.711 12.275 1.00 0.00 H new ATOM 0 H3 DT A 4 3.048 0.150 14.798 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.280 0.382 18.019 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.440 -1.177 18.194 1.00 0.00 H new ATOM 0 H73 DT A 4 0.373 0.330 18.677 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.676 0.107 15.725 1.00 0.00 H new ATOM 127 P DA A 5 -3.501 -1.622 10.225 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.142 -1.414 8.907 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.068 -2.606 11.174 1.00 0.00 O ATOM 130 O5' DA A 5 -1.952 -1.983 9.985 1.00 0.00 O ATOM 131 C5' DA A 5 -1.149 -1.208 9.116 1.00 0.00 C ATOM 132 C4' DA A 5 0.257 -1.802 9.027 1.00 0.00 C ATOM 133 O4' DA A 5 0.926 -1.693 10.272 1.00 0.00 O ATOM 134 C3' DA A 5 0.237 -3.285 8.624 1.00 0.00 C ATOM 135 O3' DA A 5 0.996 -3.423 7.437 1.00 0.00 O ATOM 136 C2' DA A 5 0.826 -3.960 9.867 1.00 0.00 C ATOM 137 C1' DA A 5 1.712 -2.854 10.449 1.00 0.00 C ATOM 138 N9 DA A 5 1.992 -3.043 11.889 1.00 0.00 N ATOM 139 C8 DA A 5 1.063 -3.246 12.866 1.00 0.00 C ATOM 140 N7 DA A 5 1.506 -3.127 14.084 1.00 0.00 N ATOM 141 C5 DA A 5 2.859 -2.872 13.901 1.00 0.00 C ATOM 142 C6 DA A 5 3.914 -2.641 14.806 1.00 0.00 C ATOM 143 N6 DA A 5 3.717 -2.533 16.123 1.00 0.00 N ATOM 144 N1 DA A 5 5.160 -2.498 14.317 1.00 0.00 N ATOM 145 C2 DA A 5 5.343 -2.552 13.000 1.00 0.00 C ATOM 146 N3 DA A 5 4.429 -2.707 12.041 1.00 0.00 N ATOM 147 C4 DA A 5 3.182 -2.867 12.564 1.00 0.00 C ATOM 0 H5' DA A 5 -1.096 -0.181 9.477 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.601 -1.174 8.125 1.00 0.00 H new ATOM 0 H4' DA A 5 0.782 -1.233 8.259 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.729 -3.727 8.381 1.00 0.00 H new ATOM 0 H2' DA A 5 0.051 -4.271 10.567 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.401 -4.850 9.613 1.00 0.00 H new ATOM 0 H1' DA A 5 2.688 -2.825 9.965 1.00 0.00 H new ATOM 0 H8 DA A 5 0.034 -3.488 12.645 1.00 0.00 H new ATOM 0 H61 DA A 5 4.508 -2.366 16.745 1.00 0.00 H new ATOM 0 H62 DA A 5 2.776 -2.618 16.506 1.00 0.00 H new ATOM 0 H2 DA A 5 6.365 -2.458 12.664 1.00 0.00 H new ATOM 159 P DC A 6 1.271 -4.846 6.731 1.00 0.00 P ATOM 160 OP1 DC A 6 1.621 -4.603 5.314 1.00 0.00 O ATOM 161 OP2 DC A 6 0.172 -5.775 7.076 1.00 0.00 O ATOM 162 O5' DC A 6 2.598 -5.310 7.508 1.00 0.00 O ATOM 163 C5' DC A 6 3.772 -4.522 7.472 1.00 0.00 C ATOM 164 C4' DC A 6 4.807 -5.092 8.438 1.00 0.00 C ATOM 165 O4' DC A 6 4.320 -4.928 9.751 1.00 0.00 O ATOM 166 C3' DC A 6 5.153 -6.573 8.270 1.00 0.00 C ATOM 167 O3' DC A 6 6.355 -6.756 7.540 1.00 0.00 O ATOM 168 C2' DC A 6 5.221 -7.073 9.711 1.00 0.00 C ATOM 169 C1' DC A 6 5.040 -5.824 10.556 1.00 0.00 C ATOM 170 N1 DC A 6 4.320 -6.093 11.826 1.00 0.00 N ATOM 171 C2 DC A 6 4.995 -5.918 13.031 1.00 0.00 C ATOM 172 O2 DC A 6 6.211 -5.752 13.069 1.00 0.00 O ATOM 173 N3 DC A 6 4.275 -5.931 14.186 1.00 0.00 N ATOM 174 C4 DC A 6 2.952 -6.143 14.182 1.00 0.00 C ATOM 175 N4 DC A 6 2.300 -6.082 15.347 1.00 0.00 N ATOM 176 C5 DC A 6 2.242 -6.383 12.955 1.00 0.00 C ATOM 177 C6 DC A 6 2.972 -6.354 11.815 1.00 0.00 C ATOM 0 H5' DC A 6 3.538 -3.492 7.741 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.177 -4.503 6.460 1.00 0.00 H new ATOM 0 H4' DC A 6 5.723 -4.543 8.221 1.00 0.00 H new ATOM 0 H3' DC A 6 4.425 -7.132 7.681 1.00 0.00 H new ATOM 0 H2' DC A 6 4.440 -7.806 9.914 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.175 -7.558 9.918 1.00 0.00 H new ATOM 0 H1' DC A 6 6.007 -5.422 10.858 1.00 0.00 H new ATOM 0 H41 DC A 6 1.293 -6.239 15.376 1.00 0.00 H new ATOM 0 H42 DC A 6 2.810 -5.879 16.207 1.00 0.00 H new ATOM 0 H5 DC A 6 1.180 -6.577 12.943 1.00 0.00 H new ATOM 0 H6 DC A 6 2.481 -6.541 10.872 1.00 0.00 H new ATOM 189 P DG A 7 6.979 -8.225 7.259 1.00 0.00 P ATOM 190 OP1 DG A 7 7.933 -8.111 6.134 1.00 0.00 O ATOM 191 OP2 DG A 7 5.872 -9.204 7.188 1.00 0.00 O ATOM 192 O5' DG A 7 7.822 -8.513 8.607 1.00 0.00 O ATOM 193 C5' DG A 7 8.919 -7.694 8.959 1.00 0.00 C ATOM 194 C4' DG A 7 9.552 -8.078 10.297 1.00 0.00 C ATOM 195 O4' DG A 7 8.664 -7.807 11.370 1.00 0.00 O ATOM 196 C3' DG A 7 9.928 -9.566 10.338 1.00 0.00 C ATOM 197 O3' DG A 7 11.261 -9.719 10.793 1.00 0.00 O ATOM 198 C2' DG A 7 8.878 -10.098 11.303 1.00 0.00 C ATOM 199 C1' DG A 7 8.689 -8.916 12.242 1.00 0.00 C ATOM 200 N9 DG A 7 7.422 -9.014 13.000 1.00 0.00 N ATOM 201 C8 DG A 7 6.183 -9.352 12.523 1.00 0.00 C ATOM 202 N7 DG A 7 5.219 -9.220 13.389 1.00 0.00 N ATOM 203 C5 DG A 7 5.872 -8.808 14.546 1.00 0.00 C ATOM 204 C6 DG A 7 5.348 -8.538 15.846 1.00 0.00 C ATOM 205 O6 DG A 7 4.172 -8.512 16.194 1.00 0.00 O ATOM 206 N1 DG A 7 6.349 -8.283 16.780 1.00 0.00 N ATOM 207 C2 DG A 7 7.700 -8.262 16.490 1.00 0.00 C ATOM 208 N2 DG A 7 8.541 -8.039 17.505 1.00 0.00 N ATOM 209 N3 DG A 7 8.190 -8.458 15.256 1.00 0.00 N ATOM 210 C4 DG A 7 7.229 -8.732 14.332 1.00 0.00 C ATOM 0 H5' DG A 7 8.589 -6.656 9.005 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.675 -7.754 8.176 1.00 0.00 H new ATOM 0 H4' DG A 7 10.456 -7.478 10.402 1.00 0.00 H new ATOM 0 H3' DG A 7 9.922 -10.092 9.383 1.00 0.00 H new ATOM 0 H2' DG A 7 7.953 -10.367 10.793 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.221 -10.988 11.830 1.00 0.00 H new ATOM 0 H1' DG A 7 9.472 -8.856 12.997 1.00 0.00 H new ATOM 0 H8 DG A 7 6.019 -9.699 11.513 1.00 0.00 H new ATOM 0 H1 DG A 7 6.066 -8.099 17.743 1.00 0.00 H new ATOM 0 H21 DG A 7 9.547 -8.015 17.338 1.00 0.00 H new ATOM 0 H22 DG A 7 8.177 -7.893 18.446 1.00 0.00 H new ATOM 222 P DC A 8 11.945 -11.171 10.982 1.00 0.00 P ATOM 223 OP1 DC A 8 13.412 -11.011 10.882 1.00 0.00 O ATOM 224 OP2 DC A 8 11.247 -12.144 10.112 1.00 0.00 O ATOM 225 O5' DC A 8 11.571 -11.501 12.513 1.00 0.00 O ATOM 226 C5' DC A 8 12.211 -10.820 13.573 1.00 0.00 C ATOM 227 C4' DC A 8 11.578 -11.167 14.921 1.00 0.00 C ATOM 228 O4' DC A 8 10.225 -10.778 14.933 1.00 0.00 O ATOM 229 C3' DC A 8 11.560 -12.659 15.255 1.00 0.00 C ATOM 230 O3' DC A 8 12.770 -13.094 15.838 1.00 0.00 O ATOM 231 C2' DC A 8 10.390 -12.758 16.231 1.00 0.00 C ATOM 232 C1' DC A 8 9.609 -11.456 16.008 1.00 0.00 C ATOM 233 N1 DC A 8 8.177 -11.720 15.705 1.00 0.00 N ATOM 234 C2 DC A 8 7.224 -11.535 16.708 1.00 0.00 C ATOM 235 O2 DC A 8 7.547 -11.237 17.855 1.00 0.00 O ATOM 236 N3 DC A 8 5.909 -11.692 16.389 1.00 0.00 N ATOM 237 C4 DC A 8 5.527 -12.031 15.148 1.00 0.00 C ATOM 238 N4 DC A 8 4.219 -12.116 14.887 1.00 0.00 N ATOM 239 C5 DC A 8 6.493 -12.267 14.111 1.00 0.00 C ATOM 240 C6 DC A 8 7.795 -12.097 14.439 1.00 0.00 C ATOM 0 H5' DC A 8 12.150 -9.745 13.406 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.269 -11.080 13.588 1.00 0.00 H new ATOM 0 H4' DC A 8 12.198 -10.642 15.648 1.00 0.00 H new ATOM 0 H3' DC A 8 11.452 -13.295 14.376 1.00 0.00 H new ATOM 0 H2' DC A 8 9.773 -13.633 16.027 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.736 -12.845 17.261 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.712 -14.052 16.036 1.00 0.00 H new ATOM 0 H1' DC A 8 9.629 -10.852 16.915 1.00 0.00 H new ATOM 0 H41 DC A 8 3.901 -12.372 13.952 1.00 0.00 H new ATOM 0 H42 DC A 8 3.539 -11.925 15.623 1.00 0.00 H new ATOM 0 H5 DC A 8 6.194 -12.566 13.117 1.00 0.00 H new ATOM 0 H6 DC A 8 8.553 -12.262 13.688 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.132 -12.889 24.902 1.00 0.00 O ATOM 255 C5' DG B 1 -0.943 -11.492 24.966 1.00 0.00 C ATOM 256 C4' DG B 1 0.554 -11.163 24.997 1.00 0.00 C ATOM 257 O4' DG B 1 1.159 -11.582 23.779 1.00 0.00 O ATOM 258 C3' DG B 1 0.805 -9.658 25.156 1.00 0.00 C ATOM 259 O3' DG B 1 1.996 -9.435 25.892 1.00 0.00 O ATOM 260 C2' DG B 1 0.940 -9.279 23.690 1.00 0.00 C ATOM 261 C1' DG B 1 1.750 -10.456 23.163 1.00 0.00 C ATOM 262 N9 DG B 1 1.709 -10.548 21.681 1.00 0.00 N ATOM 263 C8 DG B 1 0.619 -10.625 20.841 1.00 0.00 C ATOM 264 N7 DG B 1 0.925 -10.720 19.578 1.00 0.00 N ATOM 265 C5 DG B 1 2.313 -10.719 19.566 1.00 0.00 C ATOM 266 C6 DG B 1 3.219 -10.832 18.468 1.00 0.00 C ATOM 267 O6 DG B 1 2.946 -10.951 17.276 1.00 0.00 O ATOM 268 N1 DG B 1 4.551 -10.799 18.872 1.00 0.00 N ATOM 269 C2 DG B 1 4.965 -10.686 20.187 1.00 0.00 C ATOM 270 N2 DG B 1 6.282 -10.658 20.417 1.00 0.00 N ATOM 271 N3 DG B 1 4.113 -10.597 21.222 1.00 0.00 N ATOM 272 C4 DG B 1 2.804 -10.619 20.847 1.00 0.00 C ATOM 0 H5' DG B 1 -1.430 -11.092 25.856 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.410 -11.014 24.105 1.00 0.00 H new ATOM 0 H4' DG B 1 0.983 -11.685 25.852 1.00 0.00 H new ATOM 0 H3' DG B 1 0.049 -9.090 25.698 1.00 0.00 H new ATOM 0 H2' DG B 1 -0.027 -9.189 23.196 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.456 -8.329 23.555 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.091 -13.089 24.884 1.00 0.00 H new ATOM 0 H1' DG B 1 2.811 -10.363 23.397 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.400 -10.608 21.198 1.00 0.00 H new ATOM 0 H1 DG B 1 5.269 -10.862 18.150 1.00 0.00 H new ATOM 0 H21 DG B 1 6.631 -10.576 21.372 1.00 0.00 H new ATOM 0 H22 DG B 1 6.937 -10.719 19.638 1.00 0.00 H new ATOM 285 P DC B 2 2.558 -7.952 26.205 1.00 0.00 P ATOM 286 OP1 DC B 2 2.959 -7.905 27.628 1.00 0.00 O ATOM 287 OP2 DC B 2 1.596 -6.955 25.684 1.00 0.00 O ATOM 288 O5' DC B 2 3.893 -7.884 25.295 1.00 0.00 O ATOM 289 C5' DC B 2 5.030 -8.658 25.625 1.00 0.00 C ATOM 290 C4' DC B 2 6.302 -8.290 24.865 1.00 0.00 C ATOM 291 O4' DC B 2 6.206 -8.622 23.491 1.00 0.00 O ATOM 292 C3' DC B 2 6.568 -6.790 25.002 1.00 0.00 C ATOM 293 O3' DC B 2 7.957 -6.577 25.188 1.00 0.00 O ATOM 294 C2' DC B 2 6.015 -6.301 23.685 1.00 0.00 C ATOM 295 C1' DC B 2 6.369 -7.441 22.734 1.00 0.00 C ATOM 296 N1 DC B 2 5.442 -7.462 21.581 1.00 0.00 N ATOM 297 C2 DC B 2 5.925 -7.484 20.271 1.00 0.00 C ATOM 298 O2 DC B 2 7.129 -7.550 20.031 1.00 0.00 O ATOM 299 N3 DC B 2 5.020 -7.432 19.250 1.00 0.00 N ATOM 300 C4 DC B 2 3.703 -7.335 19.491 1.00 0.00 C ATOM 301 N4 DC B 2 2.854 -7.329 18.460 1.00 0.00 N ATOM 302 C5 DC B 2 3.201 -7.334 20.835 1.00 0.00 C ATOM 303 C6 DC B 2 4.098 -7.430 21.825 1.00 0.00 C ATOM 0 H5' DC B 2 4.803 -9.708 25.438 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.221 -8.559 26.693 1.00 0.00 H new ATOM 0 H4' DC B 2 7.124 -8.861 25.297 1.00 0.00 H new ATOM 0 H3' DC B 2 6.119 -6.273 25.850 1.00 0.00 H new ATOM 0 H2' DC B 2 4.939 -6.133 23.734 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.471 -5.360 23.378 1.00 0.00 H new ATOM 0 H1' DC B 2 7.380 -7.334 22.340 1.00 0.00 H new ATOM 0 H41 DC B 2 1.850 -7.256 18.626 1.00 0.00 H new ATOM 0 H42 DC B 2 3.209 -7.397 17.506 1.00 0.00 H new ATOM 0 H5 DC B 2 2.143 -7.259 21.040 1.00 0.00 H new ATOM 0 H6 DC B 2 3.749 -7.484 22.846 1.00 0.00 H new ATOM 315 P DG B 3 8.649 -5.119 25.101 1.00 0.00 P ATOM 316 OP1 DG B 3 9.829 -5.115 25.994 1.00 0.00 O ATOM 317 OP2 DG B 3 7.608 -4.078 25.253 1.00 0.00 O ATOM 318 O5' DG B 3 9.168 -5.114 23.571 1.00 0.00 O ATOM 319 C5' DG B 3 10.184 -6.014 23.167 1.00 0.00 C ATOM 320 C4' DG B 3 10.707 -5.753 21.765 1.00 0.00 C ATOM 321 O4' DG B 3 9.697 -5.914 20.786 1.00 0.00 O ATOM 322 C3' DG B 3 11.272 -4.334 21.721 1.00 0.00 C ATOM 323 O3' DG B 3 12.642 -4.353 21.359 1.00 0.00 O ATOM 324 C2' DG B 3 10.337 -3.688 20.716 1.00 0.00 C ATOM 325 C1' DG B 3 9.753 -4.825 19.890 1.00 0.00 C ATOM 326 N9 DG B 3 8.381 -4.544 19.416 1.00 0.00 N ATOM 327 C8 DG B 3 7.274 -4.239 20.166 1.00 0.00 C ATOM 328 N7 DG B 3 6.145 -4.327 19.523 1.00 0.00 N ATOM 329 C5 DG B 3 6.532 -4.690 18.239 1.00 0.00 C ATOM 330 C6 DG B 3 5.737 -4.991 17.096 1.00 0.00 C ATOM 331 O6 DG B 3 4.516 -5.109 17.038 1.00 0.00 O ATOM 332 N1 DG B 3 6.508 -5.159 15.949 1.00 0.00 N ATOM 333 C2 DG B 3 7.891 -5.142 15.925 1.00 0.00 C ATOM 334 N2 DG B 3 8.493 -5.330 14.747 1.00 0.00 N ATOM 335 N3 DG B 3 8.640 -4.976 17.026 1.00 0.00 N ATOM 336 C4 DG B 3 7.902 -4.746 18.145 1.00 0.00 C ATOM 0 H5' DG B 3 9.797 -7.032 23.218 1.00 0.00 H new ATOM 0 H5'' DG B 3 11.013 -5.953 23.872 1.00 0.00 H new ATOM 0 H4' DG B 3 11.485 -6.481 21.536 1.00 0.00 H new ATOM 0 H3' DG B 3 11.293 -3.787 22.663 1.00 0.00 H new ATOM 0 H2' DG B 3 9.549 -3.128 21.220 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.874 -2.982 20.082 1.00 0.00 H new ATOM 0 H1' DG B 3 10.359 -4.997 19.000 1.00 0.00 H new ATOM 0 H8 DG B 3 7.334 -3.950 21.205 1.00 0.00 H new ATOM 0 H1 DG B 3 6.019 -5.305 15.066 1.00 0.00 H new ATOM 0 H21 DG B 3 9.511 -5.324 14.688 1.00 0.00 H new ATOM 0 H22 DG B 3 7.934 -5.479 13.907 1.00 0.00 H new ATOM 348 P DT B 4 13.511 -2.999 21.177 1.00 0.00 P ATOM 349 OP1 DT B 4 14.946 -3.363 21.186 1.00 0.00 O ATOM 350 OP2 DT B 4 13.002 -1.970 22.110 1.00 0.00 O ATOM 351 O5' DT B 4 13.102 -2.580 19.677 1.00 0.00 O ATOM 352 C5' DT B 4 13.312 -3.486 18.617 1.00 0.00 C ATOM 353 C4' DT B 4 12.648 -3.076 17.307 1.00 0.00 C ATOM 354 O4' DT B 4 11.244 -3.146 17.439 1.00 0.00 O ATOM 355 C3' DT B 4 13.019 -1.663 16.833 1.00 0.00 C ATOM 356 O3' DT B 4 13.743 -1.757 15.620 1.00 0.00 O ATOM 357 C2' DT B 4 11.645 -1.007 16.704 1.00 0.00 C ATOM 358 C1' DT B 4 10.708 -2.200 16.549 1.00 0.00 C ATOM 359 N1 DT B 4 9.327 -1.834 16.929 1.00 0.00 N ATOM 360 C2 DT B 4 8.299 -1.901 15.988 1.00 0.00 C ATOM 361 O2 DT B 4 8.485 -2.122 14.793 1.00 0.00 O ATOM 362 N3 DT B 4 7.015 -1.699 16.477 1.00 0.00 N ATOM 363 C4 DT B 4 6.683 -1.393 17.791 1.00 0.00 C ATOM 364 O4 DT B 4 5.506 -1.259 18.113 1.00 0.00 O ATOM 365 C5 DT B 4 7.825 -1.260 18.680 1.00 0.00 C ATOM 366 C7 DT B 4 7.634 -0.876 20.128 1.00 0.00 C ATOM 367 C6 DT B 4 9.078 -1.486 18.228 1.00 0.00 C ATOM 0 H5' DT B 4 12.936 -4.466 18.911 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.384 -3.592 18.451 1.00 0.00 H new ATOM 0 H4' DT B 4 13.017 -3.776 16.558 1.00 0.00 H new ATOM 0 H3' DT B 4 13.671 -1.086 17.488 1.00 0.00 H new ATOM 0 H2' DT B 4 11.398 -0.411 17.583 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.595 -0.340 15.843 1.00 0.00 H new ATOM 0 H1' DT B 4 10.644 -2.568 15.525 1.00 0.00 H new ATOM 0 H3 DT B 4 6.246 -1.783 15.812 1.00 0.00 H new ATOM 0 H71 DT B 4 8.427 -1.319 20.730 1.00 0.00 H new ATOM 0 H72 DT B 4 7.669 0.209 20.224 1.00 0.00 H new ATOM 0 H73 DT B 4 6.668 -1.240 20.477 1.00 0.00 H new ATOM 0 H6 DT B 4 9.908 -1.389 18.913 1.00 0.00 H new ATOM 380 P DA B 5 14.256 -0.456 14.817 1.00 0.00 P ATOM 381 OP1 DA B 5 15.456 -0.835 14.038 1.00 0.00 O ATOM 382 OP2 DA B 5 14.313 0.691 15.750 1.00 0.00 O ATOM 383 O5' DA B 5 13.040 -0.215 13.790 1.00 0.00 O ATOM 384 C5' DA B 5 12.744 -1.158 12.777 1.00 0.00 C ATOM 385 C4' DA B 5 11.590 -0.654 11.911 1.00 0.00 C ATOM 386 O4' DA B 5 10.389 -0.594 12.662 1.00 0.00 O ATOM 387 C3' DA B 5 11.864 0.744 11.334 1.00 0.00 C ATOM 388 O3' DA B 5 11.786 0.656 9.923 1.00 0.00 O ATOM 389 C2' DA B 5 10.770 1.583 12.004 1.00 0.00 C ATOM 390 C1' DA B 5 9.668 0.546 12.244 1.00 0.00 C ATOM 391 N9 DA B 5 8.725 0.950 13.310 1.00 0.00 N ATOM 392 C8 DA B 5 9.064 1.346 14.570 1.00 0.00 C ATOM 393 N7 DA B 5 8.076 1.399 15.417 1.00 0.00 N ATOM 394 C5 DA B 5 6.978 1.058 14.638 1.00 0.00 C ATOM 395 C6 DA B 5 5.606 0.927 14.933 1.00 0.00 C ATOM 396 N6 DA B 5 5.128 1.035 16.176 1.00 0.00 N ATOM 397 N1 DA B 5 4.755 0.657 13.926 1.00 0.00 N ATOM 398 C2 DA B 5 5.244 0.496 12.698 1.00 0.00 C ATOM 399 N3 DA B 5 6.515 0.537 12.300 1.00 0.00 N ATOM 400 C4 DA B 5 7.352 0.830 13.334 1.00 0.00 C ATOM 0 H5' DA B 5 12.480 -2.115 13.226 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.626 -1.328 12.159 1.00 0.00 H new ATOM 0 H4' DA B 5 11.492 -1.363 11.089 1.00 0.00 H new ATOM 0 H3' DA B 5 12.843 1.183 11.524 1.00 0.00 H new ATOM 0 H2' DA B 5 11.115 2.033 12.935 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.431 2.397 11.363 1.00 0.00 H new ATOM 0 H1' DA B 5 9.055 0.398 11.355 1.00 0.00 H new ATOM 0 H8 DA B 5 10.078 1.597 14.845 1.00 0.00 H new ATOM 0 H61 DA B 5 4.128 0.934 16.348 1.00 0.00 H new ATOM 0 H62 DA B 5 5.763 1.219 16.953 1.00 0.00 H new ATOM 0 H2 DA B 5 4.515 0.308 11.923 1.00 0.00 H new ATOM 412 P DC B 6 11.954 1.933 8.953 1.00 0.00 P ATOM 413 OP1 DC B 6 12.328 1.449 7.606 1.00 0.00 O ATOM 414 OP2 DC B 6 12.786 2.949 9.635 1.00 0.00 O ATOM 415 O5' DC B 6 10.439 2.463 8.899 1.00 0.00 O ATOM 416 C5' DC B 6 9.397 1.636 8.419 1.00 0.00 C ATOM 417 C4' DC B 6 8.049 2.311 8.655 1.00 0.00 C ATOM 418 O4' DC B 6 7.826 2.375 10.045 1.00 0.00 O ATOM 419 C3' DC B 6 7.894 3.733 8.111 1.00 0.00 C ATOM 420 O3' DC B 6 7.210 3.755 6.869 1.00 0.00 O ATOM 421 C2' DC B 6 7.155 4.450 9.238 1.00 0.00 C ATOM 422 C1' DC B 6 6.844 3.357 10.244 1.00 0.00 C ATOM 423 N1 DC B 6 6.862 3.849 11.645 1.00 0.00 N ATOM 424 C2 DC B 6 5.678 3.837 12.377 1.00 0.00 C ATOM 425 O2 DC B 6 4.593 3.627 11.841 1.00 0.00 O ATOM 426 N3 DC B 6 5.741 4.062 13.717 1.00 0.00 N ATOM 427 C4 DC B 6 6.905 4.327 14.327 1.00 0.00 C ATOM 428 N4 DC B 6 6.901 4.478 15.655 1.00 0.00 N ATOM 429 C5 DC B 6 8.132 4.403 13.583 1.00 0.00 C ATOM 430 C6 DC B 6 8.053 4.163 12.253 1.00 0.00 C ATOM 0 H5' DC B 6 9.424 0.671 8.925 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.535 1.442 7.355 1.00 0.00 H new ATOM 0 H4' DC B 6 7.332 1.699 8.108 1.00 0.00 H new ATOM 0 H3' DC B 6 8.840 4.219 7.873 1.00 0.00 H new ATOM 0 H2' DC B 6 7.770 5.233 9.681 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.244 4.927 8.875 1.00 0.00 H new ATOM 0 H1' DC B 6 5.836 2.971 10.092 1.00 0.00 H new ATOM 0 H41 DC B 6 7.771 4.680 16.148 1.00 0.00 H new ATOM 0 H42 DC B 6 6.028 4.391 16.175 1.00 0.00 H new ATOM 0 H5 DC B 6 9.071 4.640 14.061 1.00 0.00 H new ATOM 0 H6 DC B 6 8.950 4.220 11.654 1.00 0.00 H new ATOM 442 P DG B 7 6.871 5.137 6.094 1.00 0.00 P ATOM 443 OP1 DG B 7 6.580 4.812 4.680 1.00 0.00 O ATOM 444 OP2 DG B 7 7.917 6.131 6.421 1.00 0.00 O ATOM 445 O5' DG B 7 5.493 5.605 6.796 1.00 0.00 O ATOM 446 C5' DG B 7 4.326 4.814 6.690 1.00 0.00 C ATOM 447 C4' DG B 7 3.140 5.381 7.472 1.00 0.00 C ATOM 448 O4' DG B 7 3.379 5.311 8.869 1.00 0.00 O ATOM 449 C3' DG B 7 2.861 6.844 7.096 1.00 0.00 C ATOM 450 O3' DG B 7 1.484 7.018 6.811 1.00 0.00 O ATOM 451 C2' DG B 7 3.329 7.555 8.357 1.00 0.00 C ATOM 452 C1' DG B 7 2.980 6.541 9.436 1.00 0.00 C ATOM 453 N9 DG B 7 3.718 6.800 10.691 1.00 0.00 N ATOM 454 C8 DG B 7 5.046 7.102 10.837 1.00 0.00 C ATOM 455 N7 DG B 7 5.456 7.142 12.073 1.00 0.00 N ATOM 456 C5 DG B 7 4.303 6.893 12.809 1.00 0.00 C ATOM 457 C6 DG B 7 4.111 6.849 14.223 1.00 0.00 C ATOM 458 O6 DG B 7 4.964 6.920 15.102 1.00 0.00 O ATOM 459 N1 DG B 7 2.770 6.709 14.573 1.00 0.00 N ATOM 460 C2 DG B 7 1.734 6.594 13.665 1.00 0.00 C ATOM 461 N2 DG B 7 0.495 6.503 14.159 1.00 0.00 N ATOM 462 N3 DG B 7 1.921 6.577 12.336 1.00 0.00 N ATOM 463 C4 DG B 7 3.222 6.736 11.973 1.00 0.00 C ATOM 0 H5' DG B 7 4.543 3.808 7.050 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.050 4.724 5.639 1.00 0.00 H new ATOM 0 H4' DG B 7 2.272 4.775 7.212 1.00 0.00 H new ATOM 0 H3' DG B 7 3.357 7.216 6.200 1.00 0.00 H new ATOM 0 H2' DG B 7 4.397 7.773 8.331 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.814 8.504 8.506 1.00 0.00 H new ATOM 0 H1' DG B 7 1.925 6.572 9.709 1.00 0.00 H new ATOM 0 H8 DG B 7 5.699 7.291 9.998 1.00 0.00 H new ATOM 0 H1 DG B 7 2.537 6.690 15.566 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.301 6.417 13.527 1.00 0.00 H new ATOM 0 H22 DG B 7 0.346 6.520 15.168 1.00 0.00 H new ATOM 475 P DC B 8 0.862 8.456 6.418 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.376 8.231 5.640 1.00 0.00 O ATOM 477 OP2 DC B 8 1.939 9.307 5.863 1.00 0.00 O ATOM 478 O5' DC B 8 0.456 9.034 7.866 1.00 0.00 O ATOM 479 C5' DC B 8 -0.651 8.506 8.567 1.00 0.00 C ATOM 480 C4' DC B 8 -0.742 9.082 9.981 1.00 0.00 C ATOM 481 O4' DC B 8 0.413 8.746 10.714 1.00 0.00 O ATOM 482 C3' DC B 8 -0.819 10.607 10.047 1.00 0.00 C ATOM 483 O3' DC B 8 -2.137 11.086 9.888 1.00 0.00 O ATOM 484 C2' DC B 8 -0.272 10.898 11.444 1.00 0.00 C ATOM 485 C1' DC B 8 0.456 9.605 11.834 1.00 0.00 C ATOM 486 N1 DC B 8 1.863 9.867 12.235 1.00 0.00 N ATOM 487 C2 DC B 8 2.195 9.876 13.591 1.00 0.00 C ATOM 488 O2 DC B 8 1.338 9.750 14.463 1.00 0.00 O ATOM 489 N3 DC B 8 3.504 10.026 13.938 1.00 0.00 N ATOM 490 C4 DC B 8 4.459 10.179 13.008 1.00 0.00 C ATOM 491 N4 DC B 8 5.730 10.267 13.411 1.00 0.00 N ATOM 492 C5 DC B 8 4.135 10.215 11.608 1.00 0.00 C ATOM 493 C6 DC B 8 2.833 10.054 11.278 1.00 0.00 C ATOM 0 H5' DC B 8 -0.566 7.421 8.619 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.568 8.728 8.022 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.662 8.657 10.382 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.265 11.100 9.248 1.00 0.00 H new ATOM 0 H2' DC B 8 0.406 11.751 11.437 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.073 11.132 12.145 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.138 12.065 9.939 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.033 9.150 12.695 1.00 0.00 H new ATOM 0 H41 DC B 8 6.476 10.384 12.725 1.00 0.00 H new ATOM 0 H42 DC B 8 5.954 10.218 14.405 1.00 0.00 H new ATOM 0 H5 DC B 8 4.895 10.364 10.855 1.00 0.00 H new ATOM 0 H6 DC B 8 2.548 10.073 10.236 1.00 0.00 H new TER 506 DC B 8