USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 135 hydrogens (44 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 DT C7 :methyl -30:sc= -0.313 (180deg=-2.25!) USER MOD Set 1.2: A 6 DT C7 :methyl -30:sc= 0 (180deg=-0.783) USER MOD Single : A 1 G O2' : rot -133:sc= -0.101 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -123:sc= -0.809 USER MOD Single : A 3 A O2' : rot 180:sc= -2! USER MOD Single : A 4 C O2' : rot -133:sc= 0.578 USER MOD Single : A 9 GAO O2' : rot 110:sc= -0.551 USER MOD Single : A 10 UAR O2' : rot 68:sc= -3.21! USER MOD Single : A 11 CAR O2' : rot 80:sc= -0.519 USER MOD Single : A 12 CAR O2' : rot 170:sc= -0.424 USER MOD Single : A 12 CAR O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 10.276 1.301 10.151 1.00 0.00 O ATOM 2 C5' G A 1 10.988 0.150 10.643 1.00 0.00 C ATOM 3 C4' G A 1 10.066 -0.990 11.060 1.00 0.00 C ATOM 4 O4' G A 1 9.114 -0.555 12.057 1.00 0.00 O ATOM 5 C3' G A 1 9.260 -1.508 9.885 1.00 0.00 C ATOM 6 O3' G A 1 9.916 -2.606 9.225 1.00 0.00 O ATOM 7 C2' G A 1 7.953 -1.934 10.487 1.00 0.00 C ATOM 8 O2' G A 1 7.931 -3.342 10.761 1.00 0.00 O ATOM 9 C1' G A 1 7.817 -1.132 11.762 1.00 0.00 C ATOM 10 N9 G A 1 6.789 -0.094 11.588 1.00 0.00 N ATOM 11 C8 G A 1 6.919 1.225 11.323 1.00 0.00 C ATOM 12 N7 G A 1 5.836 1.919 11.190 1.00 0.00 N ATOM 13 C5 G A 1 4.849 0.941 11.390 1.00 0.00 C ATOM 14 C6 G A 1 3.428 1.045 11.375 1.00 0.00 C ATOM 15 O6 G A 1 2.731 2.038 11.177 1.00 0.00 O ATOM 16 N1 G A 1 2.830 -0.179 11.623 1.00 0.00 N ATOM 17 C2 G A 1 3.501 -1.357 11.855 1.00 0.00 C ATOM 18 N2 G A 1 2.758 -2.427 12.072 1.00 0.00 N ATOM 19 N3 G A 1 4.822 -1.466 11.871 1.00 0.00 N ATOM 20 C4 G A 1 5.434 -0.291 11.634 1.00 0.00 C ATOM 0 H5' G A 1 11.599 0.445 11.496 1.00 0.00 H new ATOM 0 H5'' G A 1 11.670 -0.206 9.870 1.00 0.00 H new ATOM 0 H4' G A 1 10.713 -1.772 11.457 1.00 0.00 H new ATOM 0 H3' G A 1 9.135 -0.749 9.113 1.00 0.00 H new ATOM 0 H2' G A 1 7.125 -1.753 9.802 1.00 0.00 H new ATOM 0 HO2' G A 1 7.090 -3.725 10.436 1.00 0.00 H new ATOM 0 HO5' G A 1 10.916 1.999 9.901 1.00 0.00 H new ATOM 0 H1' G A 1 7.503 -1.762 12.595 1.00 0.00 H new ATOM 0 H8 G A 1 7.892 1.683 11.226 1.00 0.00 H new ATOM 0 H1 G A 1 1.811 -0.209 11.635 1.00 0.00 H new ATOM 0 H21 G A 1 3.201 -3.328 12.250 1.00 0.00 H new ATOM 0 H22 G A 1 1.741 -2.352 12.062 1.00 0.00 H new ATOM 33 P G A 2 9.469 -3.057 7.737 1.00 0.00 P ATOM 34 OP1 G A 2 10.372 -4.142 7.295 1.00 0.00 O ATOM 35 OP2 G A 2 9.327 -1.835 6.911 1.00 0.00 O ATOM 36 O5' G A 2 7.989 -3.681 7.959 1.00 0.00 O ATOM 37 C5' G A 2 7.814 -5.047 8.394 1.00 0.00 C ATOM 38 C4' G A 2 6.349 -5.446 8.568 1.00 0.00 C ATOM 39 O4' G A 2 5.644 -4.512 9.416 1.00 0.00 O ATOM 40 C3' G A 2 5.597 -5.468 7.247 1.00 0.00 C ATOM 41 O3' G A 2 5.655 -6.763 6.613 1.00 0.00 O ATOM 42 C2' G A 2 4.186 -5.115 7.618 1.00 0.00 C ATOM 43 O2' G A 2 3.366 -6.282 7.743 1.00 0.00 O ATOM 44 C1' G A 2 4.279 -4.381 8.936 1.00 0.00 C ATOM 45 N9 G A 2 3.880 -2.979 8.752 1.00 0.00 N ATOM 46 C8 G A 2 4.634 -1.883 8.527 1.00 0.00 C ATOM 47 N7 G A 2 4.027 -0.755 8.388 1.00 0.00 N ATOM 48 C5 G A 2 2.690 -1.138 8.533 1.00 0.00 C ATOM 49 C6 G A 2 1.509 -0.362 8.481 1.00 0.00 C ATOM 50 O6 G A 2 1.397 0.846 8.302 1.00 0.00 O ATOM 51 N1 G A 2 0.383 -1.142 8.672 1.00 0.00 N ATOM 52 C2 G A 2 0.381 -2.498 8.887 1.00 0.00 C ATOM 53 N2 G A 2 -0.800 -3.071 9.038 1.00 0.00 N ATOM 54 N3 G A 2 1.480 -3.238 8.941 1.00 0.00 N ATOM 55 C4 G A 2 2.596 -2.501 8.756 1.00 0.00 C ATOM 0 H5' G A 2 8.336 -5.189 9.340 1.00 0.00 H new ATOM 0 H5'' G A 2 8.281 -5.714 7.669 1.00 0.00 H new ATOM 0 H4' G A 2 6.376 -6.442 9.010 1.00 0.00 H new ATOM 0 H3' G A 2 6.030 -4.776 6.524 1.00 0.00 H new ATOM 0 H2' G A 2 3.721 -4.503 6.846 1.00 0.00 H new ATOM 0 HO2' G A 2 2.598 -6.209 7.138 1.00 0.00 H new ATOM 0 H1' G A 2 3.603 -4.803 9.680 1.00 0.00 H new ATOM 0 H8 G A 2 5.710 -1.949 8.465 1.00 0.00 H new ATOM 0 H1 G A 2 -0.521 -0.671 8.651 1.00 0.00 H new ATOM 0 H21 G A 2 -0.862 -4.076 9.200 1.00 0.00 H new ATOM 0 H22 G A 2 -1.649 -2.508 8.992 1.00 0.00 H new ATOM 67 P A A 3 5.058 -6.982 5.125 1.00 0.00 P ATOM 68 OP1 A A 3 5.476 -8.320 4.649 1.00 0.00 O ATOM 69 OP2 A A 3 5.371 -5.781 4.316 1.00 0.00 O ATOM 70 O5' A A 3 3.455 -7.008 5.384 1.00 0.00 O ATOM 71 C5' A A 3 2.776 -8.230 5.730 1.00 0.00 C ATOM 72 C4' A A 3 1.249 -8.066 5.732 1.00 0.00 C ATOM 73 O4' A A 3 0.820 -7.029 6.656 1.00 0.00 O ATOM 74 C3' A A 3 0.731 -7.662 4.366 1.00 0.00 C ATOM 75 O3' A A 3 0.396 -8.799 3.552 1.00 0.00 O ATOM 76 C2' A A 3 -0.479 -6.827 4.678 1.00 0.00 C ATOM 77 O2' A A 3 -1.659 -7.638 4.784 1.00 0.00 O ATOM 78 C1' A A 3 -0.161 -6.181 5.995 1.00 0.00 C ATOM 79 N9 A A 3 0.378 -4.832 5.774 1.00 0.00 N ATOM 80 C8 A A 3 1.650 -4.441 5.584 1.00 0.00 C ATOM 81 N7 A A 3 1.872 -3.177 5.435 1.00 0.00 N ATOM 82 C5 A A 3 0.575 -2.655 5.533 1.00 0.00 C ATOM 83 C6 A A 3 0.061 -1.353 5.463 1.00 0.00 C ATOM 84 N6 A A 3 0.823 -0.276 5.284 1.00 0.00 N ATOM 85 N1 A A 3 -1.272 -1.207 5.596 1.00 0.00 N ATOM 86 C2 A A 3 -2.049 -2.283 5.790 1.00 0.00 C ATOM 87 N3 A A 3 -1.663 -3.547 5.874 1.00 0.00 N ATOM 88 C4 A A 3 -0.335 -3.664 5.737 1.00 0.00 C ATOM 0 H5' A A 3 3.105 -8.560 6.715 1.00 0.00 H new ATOM 0 H5'' A A 3 3.055 -9.011 5.023 1.00 0.00 H new ATOM 0 H4' A A 3 0.852 -9.037 6.029 1.00 0.00 H new ATOM 0 H3' A A 3 1.478 -7.123 3.783 1.00 0.00 H new ATOM 0 H2' A A 3 -0.685 -6.099 3.893 1.00 0.00 H new ATOM 0 HO2' A A 3 -2.430 -7.069 4.988 1.00 0.00 H new ATOM 0 H1' A A 3 -1.053 -6.079 6.613 1.00 0.00 H new ATOM 0 H8 A A 3 2.457 -5.158 5.557 1.00 0.00 H new ATOM 0 H61 A A 3 0.396 0.649 5.241 1.00 0.00 H new ATOM 0 H62 A A 3 1.834 -0.376 5.190 1.00 0.00 H new ATOM 0 H2 A A 3 -3.108 -2.098 5.889 1.00 0.00 H new ATOM 100 P C A 4 0.277 -8.647 1.948 1.00 0.00 P ATOM 101 OP1 C A 4 -0.078 -9.967 1.380 1.00 0.00 O ATOM 102 OP2 C A 4 1.479 -7.934 1.460 1.00 0.00 O ATOM 103 O5' C A 4 -0.988 -7.661 1.770 1.00 0.00 O ATOM 104 C5' C A 4 -2.319 -8.109 2.060 1.00 0.00 C ATOM 105 C4' C A 4 -3.310 -6.946 2.067 1.00 0.00 C ATOM 106 O4' C A 4 -2.900 -5.934 3.012 1.00 0.00 O ATOM 107 C3' C A 4 -3.382 -6.279 0.707 1.00 0.00 C ATOM 108 O3' C A 4 -4.453 -6.821 -0.085 1.00 0.00 O ATOM 109 C2' C A 4 -3.603 -4.824 1.011 1.00 0.00 C ATOM 110 O2' C A 4 -4.995 -4.482 0.952 1.00 0.00 O ATOM 111 C1' C A 4 -3.062 -4.625 2.415 1.00 0.00 C ATOM 112 N1 C A 4 -1.778 -3.886 2.388 1.00 0.00 N ATOM 113 C2 C A 4 -1.831 -2.522 2.603 1.00 0.00 C ATOM 114 O2 C A 4 -2.907 -1.966 2.775 1.00 0.00 O ATOM 115 N3 C A 4 -0.670 -1.819 2.611 1.00 0.00 N ATOM 116 C4 C A 4 0.500 -2.426 2.416 1.00 0.00 C ATOM 117 N4 C A 4 1.614 -1.699 2.440 1.00 0.00 N ATOM 118 C5 C A 4 0.568 -3.837 2.189 1.00 0.00 C ATOM 119 C6 C A 4 -0.591 -4.525 2.181 1.00 0.00 C ATOM 0 H5' C A 4 -2.334 -8.607 3.029 1.00 0.00 H new ATOM 0 H5'' C A 4 -2.626 -8.846 1.318 1.00 0.00 H new ATOM 0 H4' C A 4 -4.280 -7.362 2.338 1.00 0.00 H new ATOM 0 H3' C A 4 -2.478 -6.441 0.120 1.00 0.00 H new ATOM 0 H2' C A 4 -3.104 -4.184 0.283 1.00 0.00 H new ATOM 0 HO2' C A 4 -5.108 -3.659 0.432 1.00 0.00 H new ATOM 0 H1' C A 4 -3.755 -4.027 3.007 1.00 0.00 H new ATOM 0 H41 C A 4 2.519 -2.147 2.293 1.00 0.00 H new ATOM 0 H42 C A 4 1.563 -0.694 2.606 1.00 0.00 H new ATOM 0 H5 C A 4 1.514 -4.333 2.030 1.00 0.00 H new ATOM 0 H6 C A 4 -0.580 -5.591 2.009 1.00 0.00 H new ATOM 131 P DT A 5 -4.441 -6.687 -1.692 1.00 0.00 P ATOM 132 OP1 DT A 5 -5.671 -7.320 -2.218 1.00 0.00 O ATOM 133 OP2 DT A 5 -3.117 -7.127 -2.186 1.00 0.00 O ATOM 134 O5' DT A 5 -4.555 -5.095 -1.921 1.00 0.00 O ATOM 135 C5' DT A 5 -5.830 -4.439 -1.922 1.00 0.00 C ATOM 136 C4' DT A 5 -5.679 -2.921 -2.005 1.00 0.00 C ATOM 137 O4' DT A 5 -4.864 -2.417 -0.919 1.00 0.00 O ATOM 138 C3' DT A 5 -5.000 -2.509 -3.299 1.00 0.00 C ATOM 139 O3' DT A 5 -5.969 -2.192 -4.313 1.00 0.00 O ATOM 140 C2' DT A 5 -4.195 -1.313 -2.916 1.00 0.00 C ATOM 141 C1' DT A 5 -3.950 -1.414 -1.429 1.00 0.00 C ATOM 142 N1 DT A 5 -2.546 -1.782 -1.146 1.00 0.00 N ATOM 143 C2 DT A 5 -1.735 -0.823 -0.565 1.00 0.00 C ATOM 144 O2 DT A 5 -2.143 0.298 -0.278 1.00 0.00 O ATOM 145 N3 DT A 5 -0.434 -1.198 -0.321 1.00 0.00 N ATOM 146 C4 DT A 5 0.127 -2.424 -0.598 1.00 0.00 C ATOM 147 O4 DT A 5 1.306 -2.640 -0.336 1.00 0.00 O ATOM 148 C5 DT A 5 -0.788 -3.369 -1.201 1.00 0.00 C ATOM 149 C7 DT A 5 -0.300 -4.775 -1.549 1.00 0.00 C ATOM 150 C6 DT A 5 -2.069 -3.029 -1.454 1.00 0.00 C ATOM 0 H5' DT A 5 -6.376 -4.702 -1.016 1.00 0.00 H new ATOM 0 H5'' DT A 5 -6.422 -4.793 -2.766 1.00 0.00 H new ATOM 0 H4' DT A 5 -6.686 -2.507 -1.952 1.00 0.00 H new ATOM 0 H3' DT A 5 -4.386 -3.302 -3.726 1.00 0.00 H new ATOM 0 H2' DT A 5 -3.252 -1.289 -3.463 1.00 0.00 H new ATOM 0 H2'' DT A 5 -4.728 -0.394 -3.159 1.00 0.00 H new ATOM 0 H1' DT A 5 -4.122 -0.453 -0.944 1.00 0.00 H new ATOM 0 H3 DT A 5 0.174 -0.500 0.107 1.00 0.00 H new ATOM 0 H71 DT A 5 0.763 -4.743 -1.787 1.00 0.00 H new ATOM 0 H72 DT A 5 -0.461 -5.437 -0.698 1.00 0.00 H new ATOM 0 H73 DT A 5 -0.853 -5.149 -2.410 1.00 0.00 H new ATOM 0 H6 DT A 5 -2.730 -3.753 -1.907 1.00 0.00 H new ATOM 163 P DT A 6 -5.620 -2.336 -5.883 1.00 0.00 P ATOM 164 OP1 DT A 6 -6.887 -2.273 -6.644 1.00 0.00 O ATOM 165 OP2 DT A 6 -4.713 -3.494 -6.056 1.00 0.00 O ATOM 166 O5' DT A 6 -4.780 -0.993 -6.189 1.00 0.00 O ATOM 167 C5' DT A 6 -5.356 0.306 -5.966 1.00 0.00 C ATOM 168 C4' DT A 6 -4.277 1.362 -5.716 1.00 0.00 C ATOM 169 O4' DT A 6 -3.331 0.898 -4.716 1.00 0.00 O ATOM 170 C3' DT A 6 -3.492 1.660 -6.990 1.00 0.00 C ATOM 171 O3' DT A 6 -3.408 3.076 -7.209 1.00 0.00 O ATOM 172 C2' DT A 6 -2.145 1.074 -6.751 1.00 0.00 C ATOM 173 C1' DT A 6 -1.993 0.964 -5.257 1.00 0.00 C ATOM 174 N1 DT A 6 -1.220 -0.242 -4.892 1.00 0.00 N ATOM 175 C2 DT A 6 -0.034 -0.065 -4.199 1.00 0.00 C ATOM 176 O2 DT A 6 0.387 1.043 -3.883 1.00 0.00 O ATOM 177 N3 DT A 6 0.658 -1.210 -3.883 1.00 0.00 N ATOM 178 C4 DT A 6 0.282 -2.500 -4.188 1.00 0.00 C ATOM 179 O4 DT A 6 0.988 -3.445 -3.856 1.00 0.00 O ATOM 180 C5 DT A 6 -0.969 -2.596 -4.909 1.00 0.00 C ATOM 181 C7 DT A 6 -1.509 -3.969 -5.309 1.00 0.00 C ATOM 182 C6 DT A 6 -1.667 -1.490 -5.233 1.00 0.00 C ATOM 0 H5' DT A 6 -6.031 0.264 -5.111 1.00 0.00 H new ATOM 0 H5'' DT A 6 -5.954 0.593 -6.831 1.00 0.00 H new ATOM 0 H4' DT A 6 -4.786 2.263 -5.373 1.00 0.00 H new ATOM 0 H3' DT A 6 -3.965 1.241 -7.878 1.00 0.00 H new ATOM 0 H2' DT A 6 -2.057 0.096 -7.224 1.00 0.00 H new ATOM 0 H2'' DT A 6 -1.365 1.706 -7.176 1.00 0.00 H new ATOM 0 H1' DT A 6 -1.447 1.818 -4.855 1.00 0.00 H new ATOM 0 H3 DT A 6 1.534 -1.093 -3.374 1.00 0.00 H new ATOM 0 H71 DT A 6 -0.677 -4.654 -5.472 1.00 0.00 H new ATOM 0 H72 DT A 6 -2.146 -4.355 -4.514 1.00 0.00 H new ATOM 0 H73 DT A 6 -2.089 -3.878 -6.227 1.00 0.00 H new ATOM 0 H6 DT A 6 -2.597 -1.590 -5.772 1.00 0.00 H new ATOM 195 P DC A 7 -2.936 3.675 -8.629 1.00 0.00 P ATOM 196 OP1 DC A 7 -3.980 3.368 -9.633 1.00 0.00 O ATOM 197 OP2 DC A 7 -1.535 3.256 -8.866 1.00 0.00 O ATOM 198 O5' DC A 7 -2.947 5.260 -8.344 1.00 0.00 O ATOM 199 C5' DC A 7 -3.001 6.220 -9.411 1.00 0.00 C ATOM 200 C4' DC A 7 -4.261 7.079 -9.317 1.00 0.00 C ATOM 201 O4' DC A 7 -5.445 6.273 -9.550 1.00 0.00 O ATOM 202 C3' DC A 7 -4.389 7.696 -7.928 1.00 0.00 C ATOM 203 O3' DC A 7 -4.622 9.110 -7.996 1.00 0.00 O ATOM 204 C2' DC A 7 -5.547 6.996 -7.308 1.00 0.00 C ATOM 205 C1' DC A 7 -6.364 6.430 -8.445 1.00 0.00 C ATOM 206 N1 DC A 7 -6.994 5.128 -8.067 1.00 0.00 N ATOM 207 C2 DC A 7 -7.315 4.225 -9.087 1.00 0.00 C ATOM 208 O2 DC A 7 -7.111 4.507 -10.266 1.00 0.00 O ATOM 209 N3 DC A 7 -7.875 3.035 -8.739 1.00 0.00 N ATOM 210 C4 DC A 7 -8.116 2.733 -7.462 1.00 0.00 C ATOM 211 N4 DC A 7 -8.656 1.558 -7.166 1.00 0.00 N ATOM 212 C5 DC A 7 -7.798 3.646 -6.414 1.00 0.00 C ATOM 213 C6 DC A 7 -7.243 4.822 -6.753 1.00 0.00 C ATOM 0 H5' DC A 7 -2.981 5.703 -10.370 1.00 0.00 H new ATOM 0 H5'' DC A 7 -2.118 6.859 -9.374 1.00 0.00 H new ATOM 0 H4' DC A 7 -4.179 7.861 -10.072 1.00 0.00 H new ATOM 0 H3' DC A 7 -3.473 7.578 -7.349 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.209 6.203 -6.641 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.142 7.685 -6.709 1.00 0.00 H new ATOM 0 H1' DC A 7 -7.190 7.091 -8.709 1.00 0.00 H new ATOM 0 H41 DC A 7 -8.846 1.314 -6.194 1.00 0.00 H new ATOM 0 H42 DC A 7 -8.882 0.898 -7.911 1.00 0.00 H new ATOM 0 H5 DC A 7 -7.997 3.400 -5.381 1.00 0.00 H new ATOM 0 H6 DC A 7 -6.990 5.535 -5.982 1.00 0.00 H new ATOM 225 P DG A 8 -3.715 10.126 -7.132 1.00 0.00 P ATOM 226 OP1 DG A 8 -4.541 11.305 -6.787 1.00 0.00 O ATOM 227 OP2 DG A 8 -2.426 10.311 -7.835 1.00 0.00 O ATOM 228 O5' DG A 8 -3.442 9.284 -5.780 1.00 0.00 O ATOM 229 C5' DG A 8 -2.562 9.775 -4.747 1.00 0.00 C ATOM 230 C4' DG A 8 -2.069 8.664 -3.828 1.00 0.00 C ATOM 231 O4' DG A 8 -1.229 7.724 -4.551 1.00 0.00 O ATOM 232 C3' DG A 8 -1.241 9.218 -2.667 1.00 0.00 C ATOM 233 O3' DG A 8 -1.756 8.750 -1.414 1.00 0.00 O ATOM 234 C2' DG A 8 0.138 8.699 -2.899 1.00 0.00 C ATOM 235 C1' DG A 8 -0.011 7.508 -3.806 1.00 0.00 C ATOM 236 N9 DG A 8 1.144 7.352 -4.719 1.00 0.00 N ATOM 237 C8 DG A 8 1.218 6.674 -5.888 1.00 0.00 C ATOM 238 N7 DG A 8 2.347 6.667 -6.509 1.00 0.00 N ATOM 239 C5 DG A 8 3.148 7.438 -5.658 1.00 0.00 C ATOM 240 C6 DG A 8 4.514 7.808 -5.778 1.00 0.00 C ATOM 241 O6 DG A 8 5.308 7.527 -6.670 1.00 0.00 O ATOM 242 N1 DG A 8 4.927 8.584 -4.709 1.00 0.00 N ATOM 243 C2 DG A 8 4.135 8.964 -3.652 1.00 0.00 C ATOM 244 N2 DG A 8 4.712 9.710 -2.722 1.00 0.00 N ATOM 245 N3 DG A 8 2.853 8.625 -3.524 1.00 0.00 N ATOM 246 C4 DG A 8 2.419 7.864 -4.556 1.00 0.00 C ATOM 0 H5' DG A 8 -3.084 10.527 -4.156 1.00 0.00 H new ATOM 0 H5'' DG A 8 -1.706 10.269 -5.207 1.00 0.00 H new ATOM 0 H4' DG A 8 -2.960 8.166 -3.445 1.00 0.00 H new ATOM 0 H3' DG A 8 -1.266 10.307 -2.625 1.00 0.00 H new ATOM 0 H2' DG A 8 0.769 9.461 -3.357 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.611 8.416 -1.959 1.00 0.00 H new ATOM 0 H1' DG A 8 -0.050 6.588 -3.223 1.00 0.00 H new ATOM 0 H8 DG A 8 0.359 6.156 -6.287 1.00 0.00 H new ATOM 0 H1 DG A 8 5.897 8.899 -4.705 1.00 0.00 H new ATOM 0 H21 DG A 8 4.175 10.023 -1.913 1.00 0.00 H new ATOM 0 H22 DG A 8 5.694 9.972 -2.814 1.00 0.00 H new HETATM 258 P GAO A 9 -1.416 9.500 -0.028 1.00 0.00 P HETATM 259 OP1 GAO A 9 -1.617 10.954 -0.217 1.00 0.00 O HETATM 260 OP2 GAO A 9 -0.118 8.989 0.472 1.00 0.00 O HETATM 261 O5' GAO A 9 -2.578 8.951 0.944 1.00 0.00 O HETATM 262 C5' GAO A 9 -3.909 8.724 0.434 1.00 0.00 C HETATM 263 C4' GAO A 9 -4.543 7.463 0.993 1.00 0.00 C HETATM 264 O4' GAO A 9 -3.705 6.320 0.769 1.00 0.00 O HETATM 265 C3' GAO A 9 -4.765 7.574 2.494 1.00 0.00 C HETATM 266 O3' GAO A 9 -6.166 7.746 2.769 1.00 0.00 O HETATM 267 C2' GAO A 9 -4.233 6.283 3.070 1.00 0.00 C HETATM 268 O2' GAO A 9 -3.079 6.534 3.886 1.00 0.00 O HETATM 269 C1' GAO A 9 -3.889 5.425 1.871 1.00 0.00 C HETATM 270 N9 GAO A 9 -2.681 4.621 2.098 1.00 0.00 N HETATM 271 C8 GAO A 9 -1.397 5.018 2.205 1.00 0.00 C HETATM 272 N7 GAO A 9 -0.495 4.105 2.342 1.00 0.00 N HETATM 273 C5 GAO A 9 -1.273 2.939 2.330 1.00 0.00 C HETATM 274 C6 GAO A 9 -0.890 1.573 2.441 1.00 0.00 C HETATM 275 O6 GAO A 9 0.236 1.093 2.562 1.00 0.00 O HETATM 276 N1 GAO A 9 -1.990 0.737 2.383 1.00 0.00 N HETATM 277 C2 GAO A 9 -3.296 1.148 2.237 1.00 0.00 C HETATM 278 N2 GAO A 9 -4.213 0.199 2.210 1.00 0.00 N HETATM 279 N3 GAO A 9 -3.666 2.414 2.131 1.00 0.00 N HETATM 280 C4 GAO A 9 -2.615 3.256 2.184 1.00 0.00 C HETATM 0 HO2' GAO A 9 -3.305 6.382 4.827 1.00 0.00 H new HETATM 0 H5'' GAO A 9 -4.538 9.580 0.677 1.00 0.00 H new HETATM 0 H8 GAO A 9 -1.130 6.074 2.177 1.00 0.00 H new HETATM 0 H5' GAO A 9 -3.870 8.655 -0.653 1.00 0.00 H new HETATM 0 H4' GAO A 9 -5.496 7.344 0.478 1.00 0.00 H new HETATM 0 H3' GAO A 9 -4.259 8.433 2.934 1.00 0.00 H new HETATM 0 H22 GAO A 9 -5.197 0.444 2.104 1.00 0.00 H new HETATM 0 H21 GAO A 9 -3.937 -0.779 2.295 1.00 0.00 H new HETATM 0 H2' GAO A 9 -4.958 5.789 3.716 1.00 0.00 H new HETATM 0 H1' GAO A 9 -4.690 4.712 1.675 1.00 0.00 H new HETATM 0 H1 GAO A 9 -1.820 -0.266 2.454 1.00 0.00 H new HETATM 292 P UAR A 10 -6.726 7.817 4.276 1.00 0.00 P HETATM 293 OP1 UAR A 10 -8.117 8.320 4.230 1.00 0.00 O HETATM 294 OP2 UAR A 10 -5.720 8.501 5.119 1.00 0.00 O HETATM 295 O5' UAR A 10 -6.761 6.263 4.700 1.00 0.00 O HETATM 296 C5' UAR A 10 -7.720 5.360 4.130 1.00 0.00 C HETATM 297 C4' UAR A 10 -7.511 3.937 4.639 1.00 0.00 C HETATM 298 O4' UAR A 10 -6.230 3.431 4.250 1.00 0.00 O HETATM 299 C3' UAR A 10 -7.573 3.882 6.158 1.00 0.00 C HETATM 300 O3' UAR A 10 -8.832 3.346 6.601 1.00 0.00 O HETATM 301 C2' UAR A 10 -6.418 3.004 6.569 1.00 0.00 C HETATM 302 O2' UAR A 10 -5.472 3.754 7.346 1.00 0.00 O HETATM 303 C1' UAR A 10 -5.801 2.519 5.264 1.00 0.00 C HETATM 304 N1 UAR A 10 -4.325 2.467 5.329 1.00 0.00 N HETATM 305 C2 UAR A 10 -3.717 1.226 5.413 1.00 0.00 C HETATM 306 O2 UAR A 10 -4.352 0.178 5.470 1.00 0.00 O HETATM 307 N3 UAR A 10 -2.343 1.230 5.436 1.00 0.00 N HETATM 308 C4 UAR A 10 -1.526 2.338 5.385 1.00 0.00 C HETATM 309 O4 UAR A 10 -0.307 2.212 5.399 1.00 0.00 O HETATM 310 C5 UAR A 10 -2.236 3.590 5.303 1.00 0.00 C HETATM 311 C6 UAR A 10 -3.587 3.619 5.279 1.00 0.00 C HETATM 0 HO2' UAR A 10 -5.873 3.994 8.207 1.00 0.00 H new HETATM 0 H5'' UAR A 10 -8.728 5.693 4.377 1.00 0.00 H new HETATM 0 H6 UAR A 10 -4.099 4.579 5.219 1.00 0.00 H new HETATM 0 H5' UAR A 10 -7.637 5.376 3.043 1.00 0.00 H new HETATM 0 H5 UAR A 10 -1.677 4.524 5.260 1.00 0.00 H new HETATM 0 H4' UAR A 10 -8.307 3.334 4.203 1.00 0.00 H new HETATM 0 H3' UAR A 10 -7.499 4.872 6.608 1.00 0.00 H new HETATM 0 H3 UAR A 10 -1.882 0.322 5.497 1.00 0.00 H new HETATM 0 H2' UAR A 10 -6.735 2.169 7.194 1.00 0.00 H new HETATM 0 H1' UAR A 10 -6.125 1.500 5.052 1.00 0.00 H new HETATM 322 P CAR A 11 -9.212 3.297 8.168 1.00 0.00 P HETATM 323 OP1 CAR A 11 -10.664 3.039 8.284 1.00 0.00 O HETATM 324 OP2 CAR A 11 -8.615 4.481 8.829 1.00 0.00 O HETATM 325 O5' CAR A 11 -8.419 1.990 8.674 1.00 0.00 O HETATM 326 C5' CAR A 11 -8.745 0.688 8.169 1.00 0.00 C HETATM 327 C4' CAR A 11 -7.650 -0.323 8.494 1.00 0.00 C HETATM 328 O4' CAR A 11 -6.398 0.071 7.917 1.00 0.00 O HETATM 329 C3' CAR A 11 -7.431 -0.443 9.997 1.00 0.00 C HETATM 330 O3' CAR A 11 -8.011 -1.659 10.505 1.00 0.00 O HETATM 331 C2' CAR A 11 -5.933 -0.426 10.179 1.00 0.00 C HETATM 332 O2' CAR A 11 -5.527 0.744 10.906 1.00 0.00 O HETATM 333 C1' CAR A 11 -5.365 -0.428 8.769 1.00 0.00 C HETATM 334 N1 CAR A 11 -4.137 0.392 8.666 1.00 0.00 N HETATM 335 C2 CAR A 11 -2.919 -0.268 8.636 1.00 0.00 C HETATM 336 O2 CAR A 11 -2.871 -1.493 8.711 1.00 0.00 O HETATM 337 N3 CAR A 11 -1.787 0.475 8.529 1.00 0.00 N HETATM 338 C4 CAR A 11 -1.839 1.805 8.454 1.00 0.00 C HETATM 339 N4 CAR A 11 -0.703 2.489 8.348 1.00 0.00 N HETATM 340 C5 CAR A 11 -3.089 2.494 8.485 1.00 0.00 C HETATM 341 C6 CAR A 11 -4.208 1.753 8.592 1.00 0.00 C HETATM 0 HO2' CAR A 11 -5.679 0.603 11.864 1.00 0.00 H new HETATM 0 HN42 CAR A 11 -0.724 3.507 8.289 1.00 0.00 H new HETATM 0 HN41 CAR A 11 0.189 1.995 8.325 1.00 0.00 H new HETATM 0 H5'' CAR A 11 -9.690 0.355 8.599 1.00 0.00 H new HETATM 0 H6 CAR A 11 -5.180 2.245 8.620 1.00 0.00 H new HETATM 0 H5' CAR A 11 -8.887 0.739 7.089 1.00 0.00 H new HETATM 0 H5 CAR A 11 -3.136 3.581 8.424 1.00 0.00 H new HETATM 0 H4' CAR A 11 -7.982 -1.276 8.082 1.00 0.00 H new HETATM 0 H3' CAR A 11 -7.910 0.367 10.548 1.00 0.00 H new HETATM 0 H2' CAR A 11 -5.575 -1.279 10.755 1.00 0.00 H new HETATM 0 H1' CAR A 11 -5.068 -1.435 8.477 1.00 0.00 H new HETATM 353 P CAR A 12 -8.058 -1.961 12.090 1.00 0.00 P HETATM 354 OP1 CAR A 12 -8.922 -3.142 12.315 1.00 0.00 O HETATM 355 OP2 CAR A 12 -8.340 -0.692 12.798 1.00 0.00 O HETATM 356 O5' CAR A 12 -6.531 -2.378 12.405 1.00 0.00 O HETATM 357 C5' CAR A 12 -6.032 -3.677 12.054 1.00 0.00 C HETATM 358 C4' CAR A 12 -4.548 -3.818 12.386 1.00 0.00 C HETATM 359 O4' CAR A 12 -3.732 -2.939 11.599 1.00 0.00 O HETATM 360 C3' CAR A 12 -4.268 -3.478 13.842 1.00 0.00 C HETATM 361 O3' CAR A 12 -4.232 -4.659 14.662 1.00 0.00 O HETATM 362 C2' CAR A 12 -2.936 -2.769 13.827 1.00 0.00 C HETATM 363 O2' CAR A 12 -3.055 -1.452 14.392 1.00 0.00 O HETATM 364 C1' CAR A 12 -2.535 -2.703 12.354 1.00 0.00 C HETATM 365 N1 CAR A 12 -1.917 -1.400 12.013 1.00 0.00 N HETATM 366 C2 CAR A 12 -0.530 -1.347 11.920 1.00 0.00 C HETATM 367 O2 CAR A 12 0.144 -2.360 12.092 1.00 0.00 O HETATM 368 N3 CAR A 12 0.054 -0.154 11.630 1.00 0.00 N HETATM 369 C4 CAR A 12 -0.684 0.942 11.439 1.00 0.00 C HETATM 370 N4 CAR A 12 -0.073 2.092 11.168 1.00 0.00 N HETATM 371 C5 CAR A 12 -2.112 0.897 11.530 1.00 0.00 C HETATM 372 C6 CAR A 12 -2.684 -0.288 11.818 1.00 0.00 C HETATM 0 HO3' CAR A 12 -4.048 -4.407 15.591 1.00 0.00 H new HETATM 0 HO2' CAR A 12 -2.162 -1.070 14.523 1.00 0.00 H new HETATM 0 HN42 CAR A 12 -0.622 2.939 11.019 1.00 0.00 H new HETATM 0 HN41 CAR A 12 0.945 2.127 11.109 1.00 0.00 H new HETATM 0 H5'' CAR A 12 -6.599 -4.441 12.586 1.00 0.00 H new HETATM 0 H6 CAR A 12 -3.769 -0.359 11.896 1.00 0.00 H new HETATM 0 H5' CAR A 12 -6.185 -3.851 10.989 1.00 0.00 H new HETATM 0 H5 CAR A 12 -2.716 1.791 11.372 1.00 0.00 H new HETATM 0 H4' CAR A 12 -4.303 -4.858 12.172 1.00 0.00 H new HETATM 0 H3' CAR A 12 -5.052 -2.855 14.272 1.00 0.00 H new HETATM 0 H2' CAR A 12 -2.188 -3.290 14.424 1.00 0.00 H new HETATM 0 H1' CAR A 12 -1.777 -3.452 12.123 1.00 0.00 H new TER 385 CAR A 12