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 -160:sc= 1.25 USER MOD Single : A 8 DT C7 :methyl 150:sc= -1.32 (180deg=-1.32) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot -161:sc= 1.23 USER MOD Single : B 8 DT C7 :methyl 150:sc= -1.34 (180deg=-1.34) USER MOD Single : B 8 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 7.614 7.519 5.386 1.00 0.00 O ATOM 2 C5' DG A 1 6.407 7.016 5.952 1.00 0.00 C ATOM 3 C4' DG A 1 6.511 5.529 6.123 1.00 0.00 C ATOM 4 O4' DG A 1 7.562 5.283 7.073 1.00 0.00 O ATOM 5 C3' DG A 1 5.326 4.674 6.654 1.00 0.00 C ATOM 6 O3' DG A 1 4.159 4.422 5.866 1.00 0.00 O ATOM 7 C2' DG A 1 6.126 3.405 6.720 1.00 0.00 C ATOM 8 C1' DG A 1 7.195 4.013 7.606 1.00 0.00 C ATOM 9 N9 DG A 1 6.714 4.065 8.983 1.00 0.00 N ATOM 10 C8 DG A 1 6.597 2.947 9.688 1.00 0.00 C ATOM 11 N7 DG A 1 6.116 3.094 10.892 1.00 0.00 N ATOM 12 C5 DG A 1 5.890 4.465 10.969 1.00 0.00 C ATOM 13 C6 DG A 1 5.368 5.250 12.033 1.00 0.00 C ATOM 14 O6 DG A 1 4.995 4.871 13.141 1.00 0.00 O ATOM 15 N1 DG A 1 5.305 6.590 11.698 1.00 0.00 N ATOM 16 C2 DG A 1 5.694 7.117 10.494 1.00 0.00 C ATOM 17 N2 DG A 1 5.559 8.438 10.344 1.00 0.00 N ATOM 18 N3 DG A 1 6.187 6.396 9.482 1.00 0.00 N ATOM 19 C4 DG A 1 6.257 5.087 9.788 1.00 0.00 C ATOM 0 H5' DG A 1 5.562 7.260 5.307 1.00 0.00 H new ATOM 0 H5'' DG A 1 6.220 7.491 6.915 1.00 0.00 H new ATOM 0 H4' DG A 1 6.628 5.214 5.086 1.00 0.00 H new ATOM 0 H3' DG A 1 4.843 5.149 7.508 1.00 0.00 H new ATOM 0 H2' DG A 1 5.595 2.569 7.175 1.00 0.00 H new ATOM 0 H2'' DG A 1 6.494 3.061 5.753 1.00 0.00 H new ATOM 0 HO5' DG A 1 7.680 8.481 5.559 1.00 0.00 H new ATOM 0 H1' DG A 1 8.098 3.403 7.623 1.00 0.00 H new ATOM 0 H8 DG A 1 6.880 1.983 9.293 1.00 0.00 H new ATOM 0 H1 DG A 1 4.942 7.235 12.400 1.00 0.00 H new ATOM 0 H21 DG A 1 5.833 8.882 9.468 1.00 0.00 H new ATOM 0 H22 DG A 1 5.182 9.002 11.106 1.00 0.00 H new ATOM 32 P DA A 2 3.445 5.378 4.788 1.00 0.00 P ATOM 33 OP1 DA A 2 3.720 6.797 5.123 1.00 0.00 O ATOM 34 OP2 DA A 2 2.039 4.922 4.638 1.00 0.00 O ATOM 35 O5' DA A 2 4.235 5.003 3.449 1.00 0.00 O ATOM 36 C5' DA A 2 4.281 3.633 3.049 1.00 0.00 C ATOM 37 C4' DA A 2 5.474 3.366 2.171 1.00 0.00 C ATOM 38 O4' DA A 2 6.665 3.728 2.843 1.00 0.00 O ATOM 39 C3' DA A 2 5.695 1.894 1.852 1.00 0.00 C ATOM 40 O3' DA A 2 4.968 1.496 0.677 1.00 0.00 O ATOM 41 C2' DA A 2 7.228 1.773 1.813 1.00 0.00 C ATOM 42 C1' DA A 2 7.701 3.206 2.002 1.00 0.00 C ATOM 43 N9 DA A 2 8.855 3.432 2.870 1.00 0.00 N ATOM 44 C8 DA A 2 9.013 2.952 4.138 1.00 0.00 C ATOM 45 N7 DA A 2 10.101 3.368 4.727 1.00 0.00 N ATOM 46 C5 DA A 2 10.705 4.174 3.777 1.00 0.00 C ATOM 47 C6 DA A 2 11.893 4.916 3.783 1.00 0.00 C ATOM 48 N6 DA A 2 12.718 5.017 4.832 1.00 0.00 N ATOM 49 N1 DA A 2 12.185 5.592 2.675 1.00 0.00 N ATOM 50 C2 DA A 2 11.368 5.552 1.625 1.00 0.00 C ATOM 51 N3 DA A 2 10.216 4.895 1.494 1.00 0.00 N ATOM 52 C4 DA A 2 9.948 4.221 2.624 1.00 0.00 C ATOM 0 H5' DA A 2 3.367 3.376 2.514 1.00 0.00 H new ATOM 0 H5'' DA A 2 4.324 2.994 3.931 1.00 0.00 H new ATOM 0 H4' DA A 2 5.266 3.936 1.265 1.00 0.00 H new ATOM 0 H3' DA A 2 5.296 1.189 2.582 1.00 0.00 H new ATOM 0 H2' DA A 2 7.599 1.120 2.603 1.00 0.00 H new ATOM 0 H2'' DA A 2 7.574 1.357 0.867 1.00 0.00 H new ATOM 0 H1' DA A 2 7.930 3.602 1.013 1.00 0.00 H new ATOM 0 H8 DA A 2 8.303 2.289 4.610 1.00 0.00 H new ATOM 0 H61 DA A 2 13.567 5.577 4.761 1.00 0.00 H new ATOM 0 H62 DA A 2 12.497 4.534 5.703 1.00 0.00 H new ATOM 0 H2 DA A 2 11.680 6.128 0.766 1.00 0.00 H new ATOM 64 P DG A 3 5.565 1.315 -0.810 1.00 0.00 P ATOM 65 OP1 DG A 3 4.419 1.106 -1.732 1.00 0.00 O ATOM 66 OP2 DG A 3 6.625 0.279 -0.724 1.00 0.00 O ATOM 67 O5' DG A 3 6.251 2.729 -1.191 1.00 0.00 O ATOM 68 C5' DG A 3 6.674 3.137 -2.511 1.00 0.00 C ATOM 69 C4' DG A 3 8.066 2.620 -2.857 1.00 0.00 C ATOM 70 O4' DG A 3 8.946 2.968 -1.801 1.00 0.00 O ATOM 71 C3' DG A 3 8.224 1.108 -2.882 1.00 0.00 C ATOM 72 O3' DG A 3 7.703 0.476 -4.058 1.00 0.00 O ATOM 73 C2' DG A 3 9.718 0.933 -2.662 1.00 0.00 C ATOM 74 C1' DG A 3 10.157 2.317 -2.183 1.00 0.00 C ATOM 75 N9 DG A 3 10.935 2.331 -0.967 1.00 0.00 N ATOM 76 C8 DG A 3 12.016 3.091 -0.664 1.00 0.00 C ATOM 77 N7 DG A 3 12.461 2.904 0.548 1.00 0.00 N ATOM 78 C5 DG A 3 11.605 1.945 1.062 1.00 0.00 C ATOM 79 C6 DG A 3 11.572 1.329 2.323 1.00 0.00 C ATOM 80 O6 DG A 3 12.337 1.549 3.250 1.00 0.00 O ATOM 81 N1 DG A 3 10.538 0.407 2.420 1.00 0.00 N ATOM 82 C2 DG A 3 9.654 0.130 1.408 1.00 0.00 C ATOM 83 N2 DG A 3 8.708 -0.784 1.592 1.00 0.00 N ATOM 84 N3 DG A 3 9.674 0.706 0.223 1.00 0.00 N ATOM 85 C4 DG A 3 10.667 1.590 0.127 1.00 0.00 C ATOM 0 H5' DG A 3 6.667 4.225 -2.572 1.00 0.00 H new ATOM 0 H5'' DG A 3 5.959 2.772 -3.248 1.00 0.00 H new ATOM 0 H4' DG A 3 8.260 3.043 -3.843 1.00 0.00 H new ATOM 0 H3' DG A 3 7.629 0.602 -2.121 1.00 0.00 H new ATOM 0 H2' DG A 3 9.930 0.163 -1.920 1.00 0.00 H new ATOM 0 H2'' DG A 3 10.230 0.642 -3.579 1.00 0.00 H new ATOM 0 H1' DG A 3 10.755 2.757 -2.981 1.00 0.00 H new ATOM 0 H8 DG A 3 12.466 3.785 -1.359 1.00 0.00 H new ATOM 0 H1 DG A 3 10.429 -0.097 3.300 1.00 0.00 H new ATOM 0 H21 DG A 3 8.048 -0.993 0.843 1.00 0.00 H new ATOM 0 H22 DG A 3 8.641 -1.276 2.483 1.00 0.00 H new ATOM 97 P DC A 4 8.141 0.939 -5.533 1.00 0.00 P ATOM 98 OP1 DC A 4 7.805 2.374 -5.719 1.00 0.00 O ATOM 99 OP2 DC A 4 7.650 -0.068 -6.508 1.00 0.00 O ATOM 100 O5' DC A 4 9.719 0.787 -5.379 1.00 0.00 O ATOM 101 C5' DC A 4 10.719 1.620 -5.948 1.00 0.00 C ATOM 102 C4' DC A 4 12.055 1.293 -5.306 1.00 0.00 C ATOM 103 O4' DC A 4 12.228 1.633 -3.905 1.00 0.00 O ATOM 104 C3' DC A 4 12.327 -0.208 -5.198 1.00 0.00 C ATOM 105 O3' DC A 4 12.422 -1.115 -6.297 1.00 0.00 O ATOM 106 C2' DC A 4 13.490 -0.263 -4.226 1.00 0.00 C ATOM 107 C1' DC A 4 13.488 1.078 -3.454 1.00 0.00 C ATOM 108 N1 DC A 4 13.567 0.714 -2.024 1.00 0.00 N ATOM 109 C2 DC A 4 14.591 1.156 -1.166 1.00 0.00 C ATOM 110 O2 DC A 4 15.489 1.927 -1.512 1.00 0.00 O ATOM 111 N3 DC A 4 14.587 0.705 0.109 1.00 0.00 N ATOM 112 C4 DC A 4 13.636 -0.133 0.532 1.00 0.00 C ATOM 113 N4 DC A 4 13.672 -0.551 1.794 1.00 0.00 N ATOM 114 C5 DC A 4 12.603 -0.577 -0.324 1.00 0.00 C ATOM 115 C6 DC A 4 12.607 -0.135 -1.565 1.00 0.00 C ATOM 0 H5' DC A 4 10.471 2.669 -5.789 1.00 0.00 H new ATOM 0 H5'' DC A 4 10.771 1.465 -7.026 1.00 0.00 H new ATOM 0 H4' DC A 4 12.691 1.873 -5.974 1.00 0.00 H new ATOM 0 H3' DC A 4 11.377 -0.658 -4.909 1.00 0.00 H new ATOM 0 H2' DC A 4 13.382 -1.104 -3.541 1.00 0.00 H new ATOM 0 H2'' DC A 4 14.432 -0.403 -4.757 1.00 0.00 H new ATOM 0 H1' DC A 4 14.292 1.798 -3.609 1.00 0.00 H new ATOM 0 H41 DC A 4 12.957 -1.191 2.140 1.00 0.00 H new ATOM 0 H42 DC A 4 14.415 -0.232 2.416 1.00 0.00 H new ATOM 0 H5 DC A 4 11.838 -1.254 0.026 1.00 0.00 H new ATOM 0 H6 DC A 4 11.826 -0.456 -2.238 1.00 0.00 H new ATOM 127 P DA A 5 11.270 -2.223 -6.601 1.00 0.00 P ATOM 128 OP1 DA A 5 11.735 -3.000 -7.778 1.00 0.00 O ATOM 129 OP2 DA A 5 9.966 -1.524 -6.686 1.00 0.00 O ATOM 130 O5' DA A 5 11.174 -3.271 -5.368 1.00 0.00 O ATOM 131 C5' DA A 5 10.941 -2.983 -3.976 1.00 0.00 C ATOM 132 C4' DA A 5 11.182 -4.229 -3.130 1.00 0.00 C ATOM 133 O4' DA A 5 12.349 -4.895 -3.615 1.00 0.00 O ATOM 134 C3' DA A 5 11.401 -4.144 -1.634 1.00 0.00 C ATOM 135 O3' DA A 5 11.374 -5.361 -0.860 1.00 0.00 O ATOM 136 C2' DA A 5 12.825 -3.675 -1.629 1.00 0.00 C ATOM 137 C1' DA A 5 13.423 -4.521 -2.745 1.00 0.00 C ATOM 138 N9 DA A 5 14.419 -3.727 -3.463 1.00 0.00 N ATOM 139 C8 DA A 5 14.557 -3.450 -4.797 1.00 0.00 C ATOM 140 N7 DA A 5 15.596 -2.689 -5.065 1.00 0.00 N ATOM 141 C5 DA A 5 16.164 -2.457 -3.816 1.00 0.00 C ATOM 142 C6 DA A 5 17.284 -1.729 -3.381 1.00 0.00 C ATOM 143 N6 DA A 5 18.094 -1.054 -4.202 1.00 0.00 N ATOM 144 N1 DA A 5 17.538 -1.722 -2.058 1.00 0.00 N ATOM 145 C2 DA A 5 16.725 -2.400 -1.232 1.00 0.00 C ATOM 146 N3 DA A 5 15.657 -3.113 -1.527 1.00 0.00 N ATOM 147 C4 DA A 5 15.439 -3.093 -2.841 1.00 0.00 C ATOM 0 H5' DA A 5 9.918 -2.633 -3.836 1.00 0.00 H new ATOM 0 H5'' DA A 5 11.601 -2.180 -3.648 1.00 0.00 H new ATOM 0 H4' DA A 5 10.215 -4.719 -3.243 1.00 0.00 H new ATOM 0 H3' DA A 5 10.606 -3.551 -1.181 1.00 0.00 H new ATOM 0 H2' DA A 5 12.907 -2.608 -1.834 1.00 0.00 H new ATOM 0 H2'' DA A 5 13.313 -3.854 -0.671 1.00 0.00 H new ATOM 0 H1' DA A 5 13.914 -5.413 -2.356 1.00 0.00 H new ATOM 0 H8 DA A 5 13.880 -3.819 -5.553 1.00 0.00 H new ATOM 0 H61 DA A 5 18.893 -0.544 -3.825 1.00 0.00 H new ATOM 0 H62 DA A 5 17.914 -1.049 -5.206 1.00 0.00 H new ATOM 0 H2 DA A 5 16.981 -2.355 -0.184 1.00 0.00 H new ATOM 159 P DG A 6 10.993 -6.873 -1.288 1.00 0.00 P ATOM 160 OP1 DG A 6 11.453 -7.757 -0.186 1.00 0.00 O ATOM 161 OP2 DG A 6 11.480 -7.142 -2.663 1.00 0.00 O ATOM 162 O5' DG A 6 9.385 -6.928 -1.332 1.00 0.00 O ATOM 163 C5' DG A 6 8.618 -7.669 -0.376 1.00 0.00 C ATOM 164 C4' DG A 6 8.280 -6.824 0.831 1.00 0.00 C ATOM 165 O4' DG A 6 9.482 -6.306 1.430 1.00 0.00 O ATOM 166 C3' DG A 6 7.371 -5.600 0.586 1.00 0.00 C ATOM 167 O3' DG A 6 6.254 -5.410 1.467 1.00 0.00 O ATOM 168 C2' DG A 6 8.344 -4.518 0.929 1.00 0.00 C ATOM 169 C1' DG A 6 9.113 -5.116 2.128 1.00 0.00 C ATOM 170 N9 DG A 6 10.294 -4.322 2.464 1.00 0.00 N ATOM 171 C8 DG A 6 10.879 -3.474 1.590 1.00 0.00 C ATOM 172 N7 DG A 6 11.875 -2.809 2.048 1.00 0.00 N ATOM 173 C5 DG A 6 11.967 -3.248 3.346 1.00 0.00 C ATOM 174 C6 DG A 6 12.880 -2.854 4.309 1.00 0.00 C ATOM 175 O6 DG A 6 13.756 -2.029 4.124 1.00 0.00 O ATOM 176 N1 DG A 6 12.701 -3.488 5.513 1.00 0.00 N ATOM 177 C2 DG A 6 11.729 -4.417 5.762 1.00 0.00 C ATOM 178 N2 DG A 6 11.734 -4.909 7.011 1.00 0.00 N ATOM 179 N3 DG A 6 10.825 -4.821 4.841 1.00 0.00 N ATOM 180 C4 DG A 6 11.004 -4.191 3.651 1.00 0.00 C ATOM 0 H5' DG A 6 9.178 -8.549 -0.061 1.00 0.00 H new ATOM 0 H5'' DG A 6 7.699 -8.026 -0.842 1.00 0.00 H new ATOM 0 H4' DG A 6 7.729 -7.519 1.465 1.00 0.00 H new ATOM 0 H3' DG A 6 6.916 -5.663 -0.402 1.00 0.00 H new ATOM 0 H2' DG A 6 9.008 -4.292 0.095 1.00 0.00 H new ATOM 0 H2'' DG A 6 7.839 -3.589 1.195 1.00 0.00 H new ATOM 0 H1' DG A 6 8.590 -5.205 3.080 1.00 0.00 H new ATOM 0 H8 DG A 6 10.531 -3.364 0.574 1.00 0.00 H new ATOM 0 H1 DG A 6 13.337 -3.250 6.274 1.00 0.00 H new ATOM 0 H21 DG A 6 11.044 -5.608 7.287 1.00 0.00 H new ATOM 0 H22 DG A 6 12.428 -4.584 7.684 1.00 0.00 H new ATOM 192 P DG A 7 5.415 -6.590 2.156 1.00 0.00 P ATOM 193 OP1 DG A 7 5.223 -7.678 1.162 1.00 0.00 O ATOM 194 OP2 DG A 7 4.235 -5.997 2.834 1.00 0.00 O ATOM 195 O5' DG A 7 6.473 -7.092 3.251 1.00 0.00 O ATOM 196 C5' DG A 7 6.195 -7.487 4.595 1.00 0.00 C ATOM 197 C4' DG A 7 6.223 -6.307 5.552 1.00 0.00 C ATOM 198 O4' DG A 7 7.478 -5.589 5.446 1.00 0.00 O ATOM 199 C3' DG A 7 5.136 -5.213 5.438 1.00 0.00 C ATOM 200 O3' DG A 7 4.678 -4.761 6.721 1.00 0.00 O ATOM 201 C2' DG A 7 5.991 -4.114 4.827 1.00 0.00 C ATOM 202 C1' DG A 7 7.190 -4.223 5.775 1.00 0.00 C ATOM 203 N9 DG A 7 8.193 -3.232 5.382 1.00 0.00 N ATOM 204 C8 DG A 7 8.329 -2.661 4.147 1.00 0.00 C ATOM 205 N7 DG A 7 9.264 -1.770 4.095 1.00 0.00 N ATOM 206 C5 DG A 7 9.789 -1.737 5.358 1.00 0.00 C ATOM 207 C6 DG A 7 10.832 -0.945 5.849 1.00 0.00 C ATOM 208 O6 DG A 7 11.455 -0.119 5.191 1.00 0.00 O ATOM 209 N1 DG A 7 11.088 -1.193 7.184 1.00 0.00 N ATOM 210 C2 DG A 7 10.390 -2.115 7.938 1.00 0.00 C ATOM 211 N2 DG A 7 10.724 -2.270 9.219 1.00 0.00 N ATOM 212 N3 DG A 7 9.390 -2.874 7.476 1.00 0.00 N ATOM 213 C4 DG A 7 9.144 -2.634 6.180 1.00 0.00 C ATOM 0 H5' DG A 7 6.927 -8.230 4.913 1.00 0.00 H new ATOM 0 H5'' DG A 7 5.216 -7.965 4.637 1.00 0.00 H new ATOM 0 H4' DG A 7 6.048 -6.825 6.495 1.00 0.00 H new ATOM 0 H3' DG A 7 4.240 -5.526 4.902 1.00 0.00 H new ATOM 0 H2' DG A 7 6.253 -4.308 3.787 1.00 0.00 H new ATOM 0 H2'' DG A 7 5.512 -3.135 4.858 1.00 0.00 H new ATOM 0 H1' DG A 7 7.091 -4.028 6.843 1.00 0.00 H new ATOM 0 H8 DG A 7 7.716 -2.928 3.299 1.00 0.00 H new ATOM 0 H1 DG A 7 11.834 -0.666 7.638 1.00 0.00 H new ATOM 0 H21 DG A 7 10.224 -2.944 9.798 1.00 0.00 H new ATOM 0 H22 DG A 7 11.479 -1.714 9.620 1.00 0.00 H new ATOM 225 P DT A 8 3.719 -5.649 7.656 1.00 0.00 P ATOM 226 OP1 DT A 8 3.812 -7.068 7.226 1.00 0.00 O ATOM 227 OP2 DT A 8 2.389 -4.986 7.693 1.00 0.00 O ATOM 228 O5' DT A 8 4.386 -5.540 9.113 1.00 0.00 O ATOM 229 C5' DT A 8 3.938 -4.627 10.116 1.00 0.00 C ATOM 230 C4' DT A 8 5.045 -4.361 11.130 1.00 0.00 C ATOM 231 O4' DT A 8 6.268 -3.870 10.562 1.00 0.00 O ATOM 232 C3' DT A 8 4.757 -3.413 12.281 1.00 0.00 C ATOM 233 O3' DT A 8 5.596 -3.626 13.401 1.00 0.00 O ATOM 234 C2' DT A 8 5.100 -2.125 11.600 1.00 0.00 C ATOM 235 C1' DT A 8 6.415 -2.487 10.936 1.00 0.00 C ATOM 236 N1 DT A 8 6.623 -1.754 9.678 1.00 0.00 N ATOM 237 C2 DT A 8 7.750 -0.991 9.458 1.00 0.00 C ATOM 238 O2 DT A 8 8.637 -0.872 10.300 1.00 0.00 O ATOM 239 N3 DT A 8 7.795 -0.367 8.219 1.00 0.00 N ATOM 240 C4 DT A 8 6.851 -0.431 7.219 1.00 0.00 C ATOM 241 O4 DT A 8 7.017 0.174 6.161 1.00 0.00 O ATOM 242 C5 DT A 8 5.707 -1.248 7.541 1.00 0.00 C ATOM 243 C7 DT A 8 4.549 -1.423 6.581 1.00 0.00 C ATOM 244 C6 DT A 8 5.662 -1.850 8.725 1.00 0.00 C ATOM 0 H5' DT A 8 3.063 -5.035 10.623 1.00 0.00 H new ATOM 0 H5'' DT A 8 3.630 -3.690 9.652 1.00 0.00 H new ATOM 0 H4' DT A 8 5.126 -5.376 11.518 1.00 0.00 H new ATOM 0 H3' DT A 8 3.754 -3.498 12.699 1.00 0.00 H new ATOM 0 H2' DT A 8 4.341 -1.827 10.876 1.00 0.00 H new ATOM 0 H2'' DT A 8 5.208 -1.302 12.306 1.00 0.00 H new ATOM 0 HO3' DT A 8 5.366 -2.987 14.108 1.00 0.00 H new ATOM 0 H1' DT A 8 7.241 -2.264 11.612 1.00 0.00 H new ATOM 0 H3 DT A 8 8.619 0.202 8.028 1.00 0.00 H new ATOM 0 H71 DT A 8 4.097 -2.404 6.731 1.00 0.00 H new ATOM 0 H72 DT A 8 3.804 -0.649 6.764 1.00 0.00 H new ATOM 0 H73 DT A 8 4.911 -1.343 5.556 1.00 0.00 H new ATOM 0 H6 DT A 8 4.798 -2.460 8.944 1.00 0.00 H new TER 258 DT A 8 ATOM 259 O5' DG B 1 8.736 6.569 9.566 1.00 0.00 O ATOM 260 C5' DG B 1 9.341 7.839 9.330 1.00 0.00 C ATOM 261 C4' DG B 1 10.538 7.671 8.440 1.00 0.00 C ATOM 262 O4' DG B 1 10.061 7.185 7.174 1.00 0.00 O ATOM 263 C3' DG B 1 11.453 8.867 8.054 1.00 0.00 C ATOM 264 O3' DG B 1 12.339 9.480 8.995 1.00 0.00 O ATOM 265 C2' DG B 1 12.280 8.064 7.089 1.00 0.00 C ATOM 266 C1' DG B 1 11.079 7.624 6.280 1.00 0.00 C ATOM 267 N9 DG B 1 10.662 8.708 5.395 1.00 0.00 N ATOM 268 C8 DG B 1 11.405 9.026 4.342 1.00 0.00 C ATOM 269 N7 DG B 1 10.972 10.037 3.639 1.00 0.00 N ATOM 270 C5 DG B 1 9.820 10.418 4.323 1.00 0.00 C ATOM 271 C6 DG B 1 8.897 11.464 4.055 1.00 0.00 C ATOM 272 O6 DG B 1 8.923 12.279 3.135 1.00 0.00 O ATOM 273 N1 DG B 1 7.879 11.502 4.988 1.00 0.00 N ATOM 274 C2 DG B 1 7.756 10.644 6.051 1.00 0.00 C ATOM 275 N2 DG B 1 6.705 10.830 6.856 1.00 0.00 N ATOM 276 N3 DG B 1 8.612 9.655 6.320 1.00 0.00 N ATOM 277 C4 DG B 1 9.614 9.600 5.420 1.00 0.00 C ATOM 0 H5' DG B 1 9.639 8.292 10.275 1.00 0.00 H new ATOM 0 H5'' DG B 1 8.622 8.514 8.866 1.00 0.00 H new ATOM 0 H4' DG B 1 11.168 7.038 9.065 1.00 0.00 H new ATOM 0 H3' DG B 1 10.868 9.748 7.788 1.00 0.00 H new ATOM 0 H2' DG B 1 13.003 8.654 6.526 1.00 0.00 H new ATOM 0 H2'' DG B 1 12.829 7.243 7.551 1.00 0.00 H new ATOM 0 HO5' DG B 1 7.817 6.698 9.882 1.00 0.00 H new ATOM 0 H1' DG B 1 11.320 6.781 5.633 1.00 0.00 H new ATOM 0 H8 DG B 1 12.304 8.486 4.085 1.00 0.00 H new ATOM 0 H1 DG B 1 7.165 12.222 4.878 1.00 0.00 H new ATOM 0 H21 DG B 1 6.565 10.220 7.662 1.00 0.00 H new ATOM 0 H22 DG B 1 6.043 11.582 6.665 1.00 0.00 H new ATOM 290 P DA B 2 12.142 9.689 10.577 1.00 0.00 P ATOM 291 OP1 DA B 2 10.693 9.762 10.891 1.00 0.00 O ATOM 292 OP2 DA B 2 13.037 10.795 11.005 1.00 0.00 O ATOM 293 O5' DA B 2 12.727 8.320 11.160 1.00 0.00 O ATOM 294 C5' DA B 2 14.056 7.943 10.800 1.00 0.00 C ATOM 295 C4' DA B 2 14.246 6.455 10.918 1.00 0.00 C ATOM 296 O4' DA B 2 13.302 5.777 10.113 1.00 0.00 O ATOM 297 C3' DA B 2 15.579 5.953 10.378 1.00 0.00 C ATOM 298 O3' DA B 2 16.600 5.982 11.391 1.00 0.00 O ATOM 299 C2' DA B 2 15.217 4.584 9.776 1.00 0.00 C ATOM 300 C1' DA B 2 13.750 4.414 10.139 1.00 0.00 C ATOM 301 N9 DA B 2 12.861 3.847 9.127 1.00 0.00 N ATOM 302 C8 DA B 2 12.747 4.268 7.832 1.00 0.00 C ATOM 303 N7 DA B 2 11.819 3.644 7.157 1.00 0.00 N ATOM 304 C5 DA B 2 11.289 2.749 8.071 1.00 0.00 C ATOM 305 C6 DA B 2 10.267 1.795 7.976 1.00 0.00 C ATOM 306 N6 DA B 2 9.523 1.590 6.882 1.00 0.00 N ATOM 307 N1 DA B 2 10.007 1.081 9.067 1.00 0.00 N ATOM 308 C2 DA B 2 10.697 1.286 10.188 1.00 0.00 C ATOM 309 N3 DA B 2 11.681 2.158 10.408 1.00 0.00 N ATOM 310 C4 DA B 2 11.924 2.861 9.290 1.00 0.00 C ATOM 0 H5' DA B 2 14.770 8.456 11.444 1.00 0.00 H new ATOM 0 H5'' DA B 2 14.263 8.260 9.778 1.00 0.00 H new ATOM 0 H4' DA B 2 14.159 6.263 11.987 1.00 0.00 H new ATOM 0 H3' DA B 2 16.040 6.574 9.610 1.00 0.00 H new ATOM 0 H2' DA B 2 15.368 4.567 8.697 1.00 0.00 H new ATOM 0 H2'' DA B 2 15.830 3.786 10.196 1.00 0.00 H new ATOM 0 H1' DA B 2 13.709 3.784 11.027 1.00 0.00 H new ATOM 0 H8 DA B 2 13.366 5.044 7.407 1.00 0.00 H new ATOM 0 H61 DA B 2 8.795 0.876 6.887 1.00 0.00 H new ATOM 0 H62 DA B 2 9.684 2.148 6.044 1.00 0.00 H new ATOM 0 H2 DA B 2 10.424 0.665 11.028 1.00 0.00 H new ATOM 322 P DG B 3 17.135 4.731 12.258 1.00 0.00 P ATOM 323 OP1 DG B 3 18.027 5.268 13.318 1.00 0.00 O ATOM 324 OP2 DG B 3 17.670 3.738 11.293 1.00 0.00 O ATOM 325 O5' DG B 3 15.833 4.102 12.982 1.00 0.00 O ATOM 326 C5' DG B 3 15.847 3.146 14.064 1.00 0.00 C ATOM 327 C4' DG B 3 15.990 1.711 13.567 1.00 0.00 C ATOM 328 O4' DG B 3 15.010 1.486 12.568 1.00 0.00 O ATOM 329 C3' DG B 3 17.265 1.400 12.800 1.00 0.00 C ATOM 330 O3' DG B 3 18.425 1.226 13.622 1.00 0.00 O ATOM 331 C2' DG B 3 16.865 0.185 11.980 1.00 0.00 C ATOM 332 C1' DG B 3 15.340 0.179 12.102 1.00 0.00 C ATOM 333 N9 DG B 3 14.621 0.083 10.853 1.00 0.00 N ATOM 334 C8 DG B 3 13.505 -0.634 10.574 1.00 0.00 C ATOM 335 N7 DG B 3 13.067 -0.461 9.356 1.00 0.00 N ATOM 336 C5 DG B 3 13.976 0.429 8.809 1.00 0.00 C ATOM 337 C6 DG B 3 14.043 0.995 7.525 1.00 0.00 C ATOM 338 O6 DG B 3 13.258 0.794 6.611 1.00 0.00 O ATOM 339 N1 DG B 3 15.133 1.844 7.394 1.00 0.00 N ATOM 340 C2 DG B 3 16.038 2.102 8.394 1.00 0.00 C ATOM 341 N2 DG B 3 17.061 2.916 8.164 1.00 0.00 N ATOM 342 N3 DG B 3 15.979 1.579 9.603 1.00 0.00 N ATOM 343 C4 DG B 3 14.934 0.761 9.731 1.00 0.00 C ATOM 0 H5' DG B 3 14.926 3.239 14.640 1.00 0.00 H new ATOM 0 H5'' DG B 3 16.670 3.378 14.740 1.00 0.00 H new ATOM 0 H4' DG B 3 15.935 1.115 14.478 1.00 0.00 H new ATOM 0 H3' DG B 3 17.603 2.228 12.177 1.00 0.00 H new ATOM 0 H2' DG B 3 17.187 0.274 10.942 1.00 0.00 H new ATOM 0 H2'' DG B 3 17.306 -0.731 12.373 1.00 0.00 H new ATOM 0 H1' DG B 3 15.072 -0.677 12.721 1.00 0.00 H new ATOM 0 H8 DG B 3 13.025 -1.285 11.289 1.00 0.00 H new ATOM 0 H1 DG B 3 15.271 2.307 6.496 1.00 0.00 H new ATOM 0 H21 DG B 3 17.735 3.110 8.905 1.00 0.00 H new ATOM 0 H22 DG B 3 17.173 3.348 7.247 1.00 0.00 H new ATOM 355 P DC B 4 18.445 0.188 14.849 1.00 0.00 P ATOM 356 OP1 DC B 4 17.373 0.543 15.814 1.00 0.00 O ATOM 357 OP2 DC B 4 19.845 0.042 15.320 1.00 0.00 O ATOM 358 O5' DC B 4 18.022 -1.132 14.061 1.00 0.00 O ATOM 359 C5' DC B 4 17.199 -2.185 14.536 1.00 0.00 C ATOM 360 C4' DC B 4 16.820 -3.078 13.369 1.00 0.00 C ATOM 361 O4' DC B 4 15.936 -2.523 12.358 1.00 0.00 O ATOM 362 C3' DC B 4 17.998 -3.423 12.457 1.00 0.00 C ATOM 363 O3' DC B 4 19.176 -4.128 12.856 1.00 0.00 O ATOM 364 C2' DC B 4 17.312 -3.978 11.225 1.00 0.00 C ATOM 365 C1' DC B 4 15.852 -3.465 11.259 1.00 0.00 C ATOM 366 N1 DC B 4 15.600 -2.889 9.923 1.00 0.00 N ATOM 367 C2 DC B 4 14.567 -3.324 9.068 1.00 0.00 C ATOM 368 O2 DC B 4 13.743 -4.189 9.371 1.00 0.00 O ATOM 369 N3 DC B 4 14.479 -2.758 7.844 1.00 0.00 N ATOM 370 C4 DC B 4 15.347 -1.815 7.463 1.00 0.00 C ATOM 371 N4 DC B 4 15.222 -1.287 6.251 1.00 0.00 N ATOM 372 C5 DC B 4 16.383 -1.373 8.318 1.00 0.00 C ATOM 373 C6 DC B 4 16.468 -1.924 9.511 1.00 0.00 C ATOM 0 H5' DC B 4 16.303 -1.780 15.007 1.00 0.00 H new ATOM 0 H5'' DC B 4 17.726 -2.762 15.296 1.00 0.00 H new ATOM 0 H4' DC B 4 16.371 -3.891 13.940 1.00 0.00 H new ATOM 0 H3' DC B 4 18.577 -2.504 12.366 1.00 0.00 H new ATOM 0 H2' DC B 4 17.818 -3.646 10.318 1.00 0.00 H new ATOM 0 H2'' DC B 4 17.339 -5.068 11.225 1.00 0.00 H new ATOM 0 H1' DC B 4 15.032 -4.164 11.426 1.00 0.00 H new ATOM 0 H41 DC B 4 15.873 -0.566 5.939 1.00 0.00 H new ATOM 0 H42 DC B 4 14.475 -1.602 5.632 1.00 0.00 H new ATOM 0 H5 DC B 4 17.080 -0.610 8.004 1.00 0.00 H new ATOM 0 H6 DC B 4 17.249 -1.601 10.183 1.00 0.00 H new ATOM 385 P DA B 5 20.617 -3.387 12.997 1.00 0.00 P ATOM 386 OP1 DA B 5 21.593 -4.438 13.380 1.00 0.00 O ATOM 387 OP2 DA B 5 20.451 -2.217 13.891 1.00 0.00 O ATOM 388 O5' DA B 5 21.092 -2.826 11.552 1.00 0.00 O ATOM 389 C5' DA B 5 20.386 -1.927 10.676 1.00 0.00 C ATOM 390 C4' DA B 5 21.072 -1.865 9.316 1.00 0.00 C ATOM 391 O4' DA B 5 21.470 -3.184 8.941 1.00 0.00 O ATOM 392 C3' DA B 5 20.361 -1.331 8.090 1.00 0.00 C ATOM 393 O3' DA B 5 21.135 -1.066 6.901 1.00 0.00 O ATOM 394 C2' DA B 5 19.505 -2.518 7.777 1.00 0.00 C ATOM 395 C1' DA B 5 20.476 -3.664 8.029 1.00 0.00 C ATOM 396 N9 DA B 5 19.744 -4.791 8.606 1.00 0.00 N ATOM 397 C8 DA B 5 19.966 -5.522 9.744 1.00 0.00 C ATOM 398 N7 DA B 5 19.079 -6.473 9.931 1.00 0.00 N ATOM 399 C5 DA B 5 18.225 -6.347 8.840 1.00 0.00 C ATOM 400 C6 DA B 5 17.074 -7.037 8.425 1.00 0.00 C ATOM 401 N6 DA B 5 16.544 -8.065 9.096 1.00 0.00 N ATOM 402 N1 DA B 5 16.487 -6.625 7.286 1.00 0.00 N ATOM 403 C2 DA B 5 17.018 -5.594 6.611 1.00 0.00 C ATOM 404 N3 DA B 5 18.086 -4.880 6.903 1.00 0.00 N ATOM 405 C4 DA B 5 18.636 -5.317 8.035 1.00 0.00 C ATOM 0 H5' DA B 5 20.350 -0.931 11.118 1.00 0.00 H new ATOM 0 H5'' DA B 5 19.355 -2.260 10.556 1.00 0.00 H new ATOM 0 H4' DA B 5 21.845 -1.127 9.533 1.00 0.00 H new ATOM 0 H3' DA B 5 19.923 -0.359 8.316 1.00 0.00 H new ATOM 0 H2' DA B 5 18.628 -2.573 8.422 1.00 0.00 H new ATOM 0 H2'' DA B 5 19.144 -2.504 6.749 1.00 0.00 H new ATOM 0 H1' DA B 5 20.949 -4.002 7.107 1.00 0.00 H new ATOM 0 H8 DA B 5 20.788 -5.335 10.419 1.00 0.00 H new ATOM 0 H61 DA B 5 15.705 -8.526 8.743 1.00 0.00 H new ATOM 0 H62 DA B 5 16.978 -8.388 9.961 1.00 0.00 H new ATOM 0 H2 DA B 5 16.500 -5.311 5.706 1.00 0.00 H new ATOM 417 P DG B 6 22.734 -1.099 6.655 1.00 0.00 P ATOM 418 OP1 DG B 6 22.939 -1.068 5.185 1.00 0.00 O ATOM 419 OP2 DG B 6 23.336 -2.211 7.432 1.00 0.00 O ATOM 420 O5' DG B 6 23.303 0.275 7.268 1.00 0.00 O ATOM 421 C5' DG B 6 23.826 1.322 6.443 1.00 0.00 C ATOM 422 C4' DG B 6 22.739 2.284 6.020 1.00 0.00 C ATOM 423 O4' DG B 6 21.682 1.578 5.344 1.00 0.00 O ATOM 424 C3' DG B 6 22.053 3.089 7.146 1.00 0.00 C ATOM 425 O3' DG B 6 21.905 4.505 6.959 1.00 0.00 O ATOM 426 C2' DG B 6 20.675 2.520 7.029 1.00 0.00 C ATOM 427 C1' DG B 6 20.499 2.359 5.503 1.00 0.00 C ATOM 428 N9 DG B 6 19.310 1.574 5.176 1.00 0.00 N ATOM 429 C8 DG B 6 18.720 0.737 6.056 1.00 0.00 C ATOM 430 N7 DG B 6 17.653 0.158 5.639 1.00 0.00 N ATOM 431 C5 DG B 6 17.515 0.652 4.365 1.00 0.00 C ATOM 432 C6 DG B 6 16.520 0.359 3.449 1.00 0.00 C ATOM 433 O6 DG B 6 15.597 -0.405 3.663 1.00 0.00 O ATOM 434 N1 DG B 6 16.672 1.025 2.258 1.00 0.00 N ATOM 435 C2 DG B 6 17.691 1.893 1.981 1.00 0.00 C ATOM 436 N2 DG B 6 17.644 2.435 0.753 1.00 0.00 N ATOM 437 N3 DG B 6 18.675 2.198 2.855 1.00 0.00 N ATOM 438 C4 DG B 6 18.521 1.537 4.032 1.00 0.00 C ATOM 0 H5' DG B 6 24.297 0.891 5.560 1.00 0.00 H new ATOM 0 H5'' DG B 6 24.602 1.862 6.986 1.00 0.00 H new ATOM 0 H4' DG B 6 23.276 2.992 5.389 1.00 0.00 H new ATOM 0 H3' DG B 6 22.625 3.006 8.070 1.00 0.00 H new ATOM 0 H2' DG B 6 20.586 1.566 7.549 1.00 0.00 H new ATOM 0 H2'' DG B 6 19.925 3.187 7.454 1.00 0.00 H new ATOM 0 H1' DG B 6 20.379 3.261 4.902 1.00 0.00 H new ATOM 0 H8 DG B 6 19.119 0.566 7.045 1.00 0.00 H new ATOM 0 H1 DG B 6 15.977 0.861 1.530 1.00 0.00 H new ATOM 0 H21 DG B 6 18.364 3.095 0.459 1.00 0.00 H new ATOM 0 H22 DG B 6 16.888 2.187 0.115 1.00 0.00 H new ATOM 450 P DG B 7 22.935 5.441 6.161 1.00 0.00 P ATOM 451 OP1 DG B 7 24.318 5.015 6.497 1.00 0.00 O ATOM 452 OP2 DG B 7 22.532 6.857 6.353 1.00 0.00 O ATOM 453 O5' DG B 7 22.622 4.988 4.654 1.00 0.00 O ATOM 454 C5' DG B 7 22.543 5.831 3.505 1.00 0.00 C ATOM 455 C4' DG B 7 21.145 6.389 3.304 1.00 0.00 C ATOM 456 O4' DG B 7 20.165 5.321 3.262 1.00 0.00 O ATOM 457 C3' DG B 7 20.577 7.399 4.328 1.00 0.00 C ATOM 458 O3' DG B 7 19.841 8.459 3.703 1.00 0.00 O ATOM 459 C2' DG B 7 19.586 6.479 5.020 1.00 0.00 C ATOM 460 C1' DG B 7 18.943 5.875 3.767 1.00 0.00 C ATOM 461 N9 DG B 7 17.915 4.918 4.179 1.00 0.00 N ATOM 462 C8 DG B 7 17.843 4.270 5.380 1.00 0.00 C ATOM 463 N7 DG B 7 16.794 3.524 5.499 1.00 0.00 N ATOM 464 C5 DG B 7 16.121 3.675 4.317 1.00 0.00 C ATOM 465 C6 DG B 7 14.916 3.085 3.918 1.00 0.00 C ATOM 466 O6 DG B 7 14.253 2.315 4.602 1.00 0.00 O ATOM 467 N1 DG B 7 14.547 3.475 2.644 1.00 0.00 N ATOM 468 C2 DG B 7 15.282 4.346 1.867 1.00 0.00 C ATOM 469 N2 DG B 7 14.825 4.651 0.652 1.00 0.00 N ATOM 470 N3 DG B 7 16.433 4.915 2.242 1.00 0.00 N ATOM 471 C4 DG B 7 16.792 4.535 3.476 1.00 0.00 C ATOM 0 H5' DG B 7 22.839 5.267 2.620 1.00 0.00 H new ATOM 0 H5'' DG B 7 23.250 6.654 3.610 1.00 0.00 H new ATOM 0 H4' DG B 7 21.294 6.937 2.374 1.00 0.00 H new ATOM 0 H3' DG B 7 21.334 7.892 4.938 1.00 0.00 H new ATOM 0 H2' DG B 7 20.068 5.733 5.652 1.00 0.00 H new ATOM 0 H2'' DG B 7 18.874 7.016 5.647 1.00 0.00 H new ATOM 0 H1' DG B 7 18.398 6.493 3.053 1.00 0.00 H new ATOM 0 H8 DG B 7 18.589 4.371 6.154 1.00 0.00 H new ATOM 0 H1 DG B 7 13.682 3.097 2.257 1.00 0.00 H new ATOM 0 H21 DG B 7 15.349 5.292 0.056 1.00 0.00 H new ATOM 0 H22 DG B 7 13.952 4.243 0.318 1.00 0.00 H new ATOM 483 P DT B 8 20.561 9.650 2.895 1.00 0.00 P ATOM 484 OP1 DT B 8 21.929 9.212 2.518 1.00 0.00 O ATOM 485 OP2 DT B 8 20.388 10.897 3.684 1.00 0.00 O ATOM 486 O5' DT B 8 19.702 9.775 1.543 1.00 0.00 O ATOM 487 C5' DT B 8 18.669 10.744 1.357 1.00 0.00 C ATOM 488 C4' DT B 8 17.704 10.292 0.265 1.00 0.00 C ATOM 489 O4' DT B 8 17.108 9.006 0.491 1.00 0.00 O ATOM 490 C3' DT B 8 16.533 11.195 -0.082 1.00 0.00 C ATOM 491 O3' DT B 8 16.028 10.976 -1.386 1.00 0.00 O ATOM 492 C2' DT B 8 15.563 10.707 0.949 1.00 0.00 C ATOM 493 C1' DT B 8 15.716 9.204 0.807 1.00 0.00 C ATOM 494 N1 DT B 8 15.491 8.500 2.078 1.00 0.00 N ATOM 495 C2 DT B 8 14.559 7.494 2.195 1.00 0.00 C ATOM 496 O2 DT B 8 13.856 7.135 1.253 1.00 0.00 O ATOM 497 N3 DT B 8 14.472 6.927 3.460 1.00 0.00 N ATOM 498 C4 DT B 8 15.202 7.266 4.576 1.00 0.00 C ATOM 499 O4 DT B 8 15.026 6.679 5.643 1.00 0.00 O ATOM 500 C5 DT B 8 16.151 8.330 4.357 1.00 0.00 C ATOM 501 C7 DT B 8 17.031 8.862 5.468 1.00 0.00 C ATOM 502 C6 DT B 8 16.239 8.872 3.148 1.00 0.00 C ATOM 0 H5' DT B 8 19.108 11.705 1.088 1.00 0.00 H new ATOM 0 H5'' DT B 8 18.127 10.891 2.291 1.00 0.00 H new ATOM 0 H4' DT B 8 18.414 10.299 -0.562 1.00 0.00 H new ATOM 0 H3' DT B 8 16.764 12.260 -0.078 1.00 0.00 H new ATOM 0 H2' DT B 8 15.817 11.054 1.951 1.00 0.00 H new ATOM 0 H2'' DT B 8 14.545 11.038 0.746 1.00 0.00 H new ATOM 0 HO3' DT B 8 15.277 11.583 -1.552 1.00 0.00 H new ATOM 0 H1' DT B 8 15.005 8.830 0.070 1.00 0.00 H new ATOM 0 H3 DT B 8 13.791 6.176 3.574 1.00 0.00 H new ATOM 0 H71 DT B 8 17.970 9.222 5.048 1.00 0.00 H new ATOM 0 H72 DT B 8 16.522 9.682 5.975 1.00 0.00 H new ATOM 0 H73 DT B 8 17.236 8.065 6.183 1.00 0.00 H new ATOM 0 H6 DT B 8 16.957 9.666 3.006 1.00 0.00 H new TER 516 DT B 8