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= -0.422 (180deg=-2.74!) USER MOD Set 1.2: A 6 DT C7 :methyl -30:sc= 0 (180deg=-0.509) USER MOD Single : A 1 G O2' : rot -136:sc= -0.477 USER MOD Single : A 1 G O5' : rot 180:sc=-0.00732 USER MOD Single : A 2 G O2' : rot 180:sc= -2.2! USER MOD Single : A 3 A O2' : rot -150:sc= -0.812 USER MOD Single : A 4 C O2' : rot -134:sc= 0.38 USER MOD Single : A 9 GAO O2' : rot 100:sc= -0.545 USER MOD Single : A 10 UAR O2' : rot 70:sc= -2.23 USER MOD Single : A 11 CAR O2' : rot 80:sc= -1.14 USER MOD Single : A 12 CAR O2' : rot 160:sc= -0.478 USER MOD Single : A 12 CAR O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.376 -8.081 2.908 1.00 0.00 O ATOM 2 C5' G A 1 6.767 -8.408 3.084 1.00 0.00 C ATOM 3 C4' G A 1 7.686 -7.200 2.959 1.00 0.00 C ATOM 4 O4' G A 1 7.540 -6.555 1.673 1.00 0.00 O ATOM 5 C3' G A 1 7.365 -6.152 4.007 1.00 0.00 C ATOM 6 O3' G A 1 8.137 -6.332 5.209 1.00 0.00 O ATOM 7 C2' G A 1 7.690 -4.849 3.339 1.00 0.00 C ATOM 8 O2' G A 1 9.009 -4.401 3.672 1.00 0.00 O ATOM 9 C1' G A 1 7.573 -5.117 1.857 1.00 0.00 C ATOM 10 N9 G A 1 6.359 -4.474 1.336 1.00 0.00 N ATOM 11 C8 G A 1 5.164 -5.010 1.011 1.00 0.00 C ATOM 12 N7 G A 1 4.243 -4.206 0.588 1.00 0.00 N ATOM 13 C5 G A 1 4.904 -2.969 0.637 1.00 0.00 C ATOM 14 C6 G A 1 4.446 -1.663 0.301 1.00 0.00 C ATOM 15 O6 G A 1 3.344 -1.318 -0.119 1.00 0.00 O ATOM 16 N1 G A 1 5.436 -0.714 0.503 1.00 0.00 N ATOM 17 C2 G A 1 6.705 -0.976 0.967 1.00 0.00 C ATOM 18 N2 G A 1 7.512 0.061 1.100 1.00 0.00 N ATOM 19 N3 G A 1 7.142 -2.187 1.281 1.00 0.00 N ATOM 20 C4 G A 1 6.200 -3.134 1.095 1.00 0.00 C ATOM 0 H5' G A 1 7.055 -9.154 2.343 1.00 0.00 H new ATOM 0 H5'' G A 1 6.906 -8.862 4.065 1.00 0.00 H new ATOM 0 H4' G A 1 8.699 -7.580 3.087 1.00 0.00 H new ATOM 0 H3' G A 1 6.326 -6.209 4.332 1.00 0.00 H new ATOM 0 H2' G A 1 7.014 -4.059 3.666 1.00 0.00 H new ATOM 0 HO2' G A 1 8.987 -3.443 3.877 1.00 0.00 H new ATOM 0 HO5' G A 1 4.835 -8.893 2.997 1.00 0.00 H new ATOM 0 H1' G A 1 8.420 -4.704 1.309 1.00 0.00 H new ATOM 0 H8 G A 1 4.983 -6.071 1.101 1.00 0.00 H new ATOM 0 H1 G A 1 5.205 0.257 0.291 1.00 0.00 H new ATOM 0 H21 G A 1 8.464 -0.074 1.440 1.00 0.00 H new ATOM 0 H22 G A 1 7.183 0.997 0.863 1.00 0.00 H new ATOM 33 P G A 2 7.762 -5.525 6.563 1.00 0.00 P ATOM 34 OP1 G A 2 8.684 -5.969 7.633 1.00 0.00 O ATOM 35 OP2 G A 2 6.300 -5.625 6.768 1.00 0.00 O ATOM 36 O5' G A 2 8.112 -3.984 6.198 1.00 0.00 O ATOM 37 C5' G A 2 9.459 -3.479 6.322 1.00 0.00 C ATOM 38 C4' G A 2 9.599 -2.004 5.946 1.00 0.00 C ATOM 39 O4' G A 2 9.035 -1.726 4.642 1.00 0.00 O ATOM 40 C3' G A 2 8.874 -1.091 6.917 1.00 0.00 C ATOM 41 O3' G A 2 9.692 -0.724 8.045 1.00 0.00 O ATOM 42 C2' G A 2 8.529 0.109 6.086 1.00 0.00 C ATOM 43 O2' G A 2 9.554 1.108 6.168 1.00 0.00 O ATOM 44 C1' G A 2 8.409 -0.413 4.671 1.00 0.00 C ATOM 45 N9 G A 2 6.990 -0.475 4.278 1.00 0.00 N ATOM 46 C8 G A 2 6.125 -1.510 4.335 1.00 0.00 C ATOM 47 N7 G A 2 4.918 -1.308 3.930 1.00 0.00 N ATOM 48 C5 G A 2 4.969 0.038 3.553 1.00 0.00 C ATOM 49 C6 G A 2 3.955 0.875 3.022 1.00 0.00 C ATOM 50 O6 G A 2 2.788 0.595 2.764 1.00 0.00 O ATOM 51 N1 G A 2 4.428 2.153 2.788 1.00 0.00 N ATOM 52 C2 G A 2 5.709 2.585 3.029 1.00 0.00 C ATOM 53 N2 G A 2 5.964 3.853 2.752 1.00 0.00 N ATOM 54 N3 G A 2 6.671 1.812 3.524 1.00 0.00 N ATOM 55 C4 G A 2 6.238 0.555 3.764 1.00 0.00 C ATOM 0 H5' G A 2 10.119 -4.071 5.688 1.00 0.00 H new ATOM 0 H5'' G A 2 9.796 -3.617 7.349 1.00 0.00 H new ATOM 0 H4' G A 2 10.672 -1.813 5.963 1.00 0.00 H new ATOM 0 H3' G A 2 8.002 -1.575 7.357 1.00 0.00 H new ATOM 0 H2' G A 2 7.610 0.585 6.430 1.00 0.00 H new ATOM 0 HO2' G A 2 9.304 1.879 5.617 1.00 0.00 H new ATOM 0 H1' G A 2 8.907 0.245 3.959 1.00 0.00 H new ATOM 0 H8 G A 2 6.434 -2.475 4.708 1.00 0.00 H new ATOM 0 H1 G A 2 3.770 2.832 2.404 1.00 0.00 H new ATOM 0 H21 G A 2 6.898 4.232 2.910 1.00 0.00 H new ATOM 0 H22 G A 2 5.227 4.452 2.380 1.00 0.00 H new ATOM 67 P A A 3 9.038 0.029 9.320 1.00 0.00 P ATOM 68 OP1 A A 3 10.097 0.222 10.336 1.00 0.00 O ATOM 69 OP2 A A 3 7.791 -0.680 9.684 1.00 0.00 O ATOM 70 O5' A A 3 8.632 1.480 8.730 1.00 0.00 O ATOM 71 C5' A A 3 9.625 2.502 8.546 1.00 0.00 C ATOM 72 C4' A A 3 9.029 3.812 8.017 1.00 0.00 C ATOM 73 O4' A A 3 8.347 3.624 6.749 1.00 0.00 O ATOM 74 C3' A A 3 8.002 4.390 8.970 1.00 0.00 C ATOM 75 O3' A A 3 8.594 5.262 9.952 1.00 0.00 O ATOM 76 C2' A A 3 7.069 5.140 8.062 1.00 0.00 C ATOM 77 O2' A A 3 7.517 6.489 7.869 1.00 0.00 O ATOM 78 C1' A A 3 7.109 4.386 6.762 1.00 0.00 C ATOM 79 N9 A A 3 5.937 3.502 6.636 1.00 0.00 N ATOM 80 C8 A A 3 5.758 2.232 7.057 1.00 0.00 C ATOM 81 N7 A A 3 4.634 1.664 6.779 1.00 0.00 N ATOM 82 C5 A A 3 3.970 2.686 6.087 1.00 0.00 C ATOM 83 C6 A A 3 2.704 2.770 5.494 1.00 0.00 C ATOM 84 N6 A A 3 1.838 1.759 5.482 1.00 0.00 N ATOM 85 N1 A A 3 2.374 3.933 4.901 1.00 0.00 N ATOM 86 C2 A A 3 3.245 4.953 4.893 1.00 0.00 C ATOM 87 N3 A A 3 4.461 4.972 5.419 1.00 0.00 N ATOM 88 C4 A A 3 4.761 3.805 6.002 1.00 0.00 C ATOM 0 H5' A A 3 10.384 2.145 7.850 1.00 0.00 H new ATOM 0 H5'' A A 3 10.126 2.692 9.495 1.00 0.00 H new ATOM 0 H4' A A 3 9.878 4.486 7.905 1.00 0.00 H new ATOM 0 H3' A A 3 7.504 3.619 9.558 1.00 0.00 H new ATOM 0 H2' A A 3 6.063 5.203 8.476 1.00 0.00 H new ATOM 0 HO2' A A 3 6.744 7.072 7.716 1.00 0.00 H new ATOM 0 H1' A A 3 7.077 5.071 5.915 1.00 0.00 H new ATOM 0 H8 A A 3 6.528 1.711 7.607 1.00 0.00 H new ATOM 0 H61 A A 3 0.928 1.873 5.036 1.00 0.00 H new ATOM 0 H62 A A 3 2.085 0.871 5.919 1.00 0.00 H new ATOM 0 H2 A A 3 2.919 5.859 4.404 1.00 0.00 H new ATOM 100 P C A 4 7.753 5.716 11.258 1.00 0.00 P ATOM 101 OP1 C A 4 8.606 6.609 12.074 1.00 0.00 O ATOM 102 OP2 C A 4 7.158 4.505 11.869 1.00 0.00 O ATOM 103 O5' C A 4 6.549 6.595 10.634 1.00 0.00 O ATOM 104 C5' C A 4 6.776 7.930 10.155 1.00 0.00 C ATOM 105 C4' C A 4 5.548 8.490 9.434 1.00 0.00 C ATOM 106 O4' C A 4 5.159 7.628 8.342 1.00 0.00 O ATOM 107 C3' C A 4 4.355 8.591 10.367 1.00 0.00 C ATOM 108 O3' C A 4 4.256 9.900 10.956 1.00 0.00 O ATOM 109 C2' C A 4 3.169 8.289 9.493 1.00 0.00 C ATOM 110 O2' C A 4 2.565 9.493 9.003 1.00 0.00 O ATOM 111 C1' C A 4 3.721 7.460 8.347 1.00 0.00 C ATOM 112 N1 C A 4 3.354 6.035 8.509 1.00 0.00 N ATOM 113 C2 C A 4 2.324 5.553 7.724 1.00 0.00 C ATOM 114 O2 C A 4 1.742 6.295 6.944 1.00 0.00 O ATOM 115 N3 C A 4 1.973 4.248 7.842 1.00 0.00 N ATOM 116 C4 C A 4 2.605 3.443 8.697 1.00 0.00 C ATOM 117 N4 C A 4 2.235 2.168 8.774 1.00 0.00 N ATOM 118 C5 C A 4 3.670 3.931 9.517 1.00 0.00 C ATOM 119 C6 C A 4 4.010 5.229 9.392 1.00 0.00 C ATOM 0 H5' C A 4 7.629 7.933 9.476 1.00 0.00 H new ATOM 0 H5'' C A 4 7.033 8.578 10.993 1.00 0.00 H new ATOM 0 H4' C A 4 5.827 9.479 9.070 1.00 0.00 H new ATOM 0 H3' C A 4 4.432 7.903 11.209 1.00 0.00 H new ATOM 0 H2' C A 4 2.390 7.761 10.043 1.00 0.00 H new ATOM 0 HO2' C A 4 1.592 9.437 9.107 1.00 0.00 H new ATOM 0 H1' C A 4 3.300 7.791 7.398 1.00 0.00 H new ATOM 0 H41 C A 4 2.707 1.538 9.422 1.00 0.00 H new ATOM 0 H42 C A 4 1.479 1.820 8.185 1.00 0.00 H new ATOM 0 H5 C A 4 4.183 3.283 10.212 1.00 0.00 H new ATOM 0 H6 C A 4 4.808 5.634 9.996 1.00 0.00 H new ATOM 131 P DT A 5 3.407 10.136 12.308 1.00 0.00 P ATOM 132 OP1 DT A 5 3.486 11.573 12.655 1.00 0.00 O ATOM 133 OP2 DT A 5 3.817 9.117 13.300 1.00 0.00 O ATOM 134 O5' DT A 5 1.895 9.806 11.852 1.00 0.00 O ATOM 135 C5' DT A 5 1.084 10.801 11.211 1.00 0.00 C ATOM 136 C4' DT A 5 -0.255 10.224 10.754 1.00 0.00 C ATOM 137 O4' DT A 5 -0.057 9.090 9.872 1.00 0.00 O ATOM 138 C3' DT A 5 -1.073 9.731 11.936 1.00 0.00 C ATOM 139 O3' DT A 5 -1.992 10.740 12.388 1.00 0.00 O ATOM 140 C2' DT A 5 -1.790 8.538 11.403 1.00 0.00 C ATOM 141 C1' DT A 5 -0.978 8.032 10.235 1.00 0.00 C ATOM 142 N1 DT A 5 -0.250 6.795 10.594 1.00 0.00 N ATOM 143 C2 DT A 5 -0.670 5.611 10.014 1.00 0.00 C ATOM 144 O2 DT A 5 -1.602 5.560 9.221 1.00 0.00 O ATOM 145 N3 DT A 5 0.026 4.481 10.374 1.00 0.00 N ATOM 146 C4 DT A 5 1.091 4.421 11.246 1.00 0.00 C ATOM 147 O4 DT A 5 1.631 3.348 11.492 1.00 0.00 O ATOM 148 C5 DT A 5 1.467 5.702 11.805 1.00 0.00 C ATOM 149 C7 DT A 5 2.642 5.786 12.779 1.00 0.00 C ATOM 150 C6 DT A 5 0.801 6.827 11.471 1.00 0.00 C ATOM 0 H5' DT A 5 1.618 11.209 10.352 1.00 0.00 H new ATOM 0 H5'' DT A 5 0.909 11.628 11.899 1.00 0.00 H new ATOM 0 H4' DT A 5 -0.779 11.028 10.237 1.00 0.00 H new ATOM 0 H3' DT A 5 -0.458 9.492 12.804 1.00 0.00 H new ATOM 0 H2' DT A 5 -1.886 7.769 12.170 1.00 0.00 H new ATOM 0 H2'' DT A 5 -2.800 8.802 11.088 1.00 0.00 H new ATOM 0 H1' DT A 5 -1.625 7.780 9.395 1.00 0.00 H new ATOM 0 H3 DT A 5 -0.276 3.601 9.955 1.00 0.00 H new ATOM 0 H71 DT A 5 2.724 4.850 13.332 1.00 0.00 H new ATOM 0 H72 DT A 5 3.563 5.961 12.223 1.00 0.00 H new ATOM 0 H73 DT A 5 2.478 6.607 13.477 1.00 0.00 H new ATOM 0 H6 DT A 5 1.102 7.770 11.903 1.00 0.00 H new ATOM 163 P DT A 6 -2.467 10.810 13.931 1.00 0.00 P ATOM 164 OP1 DT A 6 -3.151 12.104 14.144 1.00 0.00 O ATOM 165 OP2 DT A 6 -1.321 10.432 14.790 1.00 0.00 O ATOM 166 O5' DT A 6 -3.568 9.632 14.025 1.00 0.00 O ATOM 167 C5' DT A 6 -4.744 9.650 13.197 1.00 0.00 C ATOM 168 C4' DT A 6 -5.296 8.239 12.968 1.00 0.00 C ATOM 169 O4' DT A 6 -4.232 7.330 12.569 1.00 0.00 O ATOM 170 C3' DT A 6 -5.930 7.676 14.239 1.00 0.00 C ATOM 171 O3' DT A 6 -7.255 7.178 13.976 1.00 0.00 O ATOM 172 C2' DT A 6 -5.015 6.582 14.668 1.00 0.00 C ATOM 173 C1' DT A 6 -4.226 6.185 13.450 1.00 0.00 C ATOM 174 N1 DT A 6 -2.846 5.812 13.826 1.00 0.00 N ATOM 175 C2 DT A 6 -2.455 4.498 13.633 1.00 0.00 C ATOM 176 O2 DT A 6 -3.203 3.650 13.157 1.00 0.00 O ATOM 177 N3 DT A 6 -1.169 4.189 14.009 1.00 0.00 N ATOM 178 C4 DT A 6 -0.248 5.057 14.554 1.00 0.00 C ATOM 179 O4 DT A 6 0.871 4.662 14.859 1.00 0.00 O ATOM 180 C5 DT A 6 -0.737 6.409 14.720 1.00 0.00 C ATOM 181 C7 DT A 6 0.182 7.480 15.312 1.00 0.00 C ATOM 182 C6 DT A 6 -1.993 6.740 14.360 1.00 0.00 C ATOM 0 H5' DT A 6 -4.506 10.108 12.237 1.00 0.00 H new ATOM 0 H5'' DT A 6 -5.509 10.269 13.665 1.00 0.00 H new ATOM 0 H4' DT A 6 -6.047 8.319 12.182 1.00 0.00 H new ATOM 0 H3' DT A 6 -6.046 8.435 15.013 1.00 0.00 H new ATOM 0 H2' DT A 6 -4.354 6.920 15.466 1.00 0.00 H new ATOM 0 H2'' DT A 6 -5.579 5.735 15.058 1.00 0.00 H new ATOM 0 H1' DT A 6 -4.664 5.316 12.959 1.00 0.00 H new ATOM 0 H3 DT A 6 -0.868 3.224 13.871 1.00 0.00 H new ATOM 0 H71 DT A 6 0.885 7.015 16.003 1.00 0.00 H new ATOM 0 H72 DT A 6 0.733 7.971 14.510 1.00 0.00 H new ATOM 0 H73 DT A 6 -0.416 8.218 15.846 1.00 0.00 H new ATOM 0 H6 DT A 6 -2.333 7.756 14.495 1.00 0.00 H new ATOM 195 P DC A 7 -8.200 6.623 15.167 1.00 0.00 P ATOM 196 OP1 DC A 7 -9.592 7.044 14.890 1.00 0.00 O ATOM 197 OP2 DC A 7 -7.573 6.969 16.465 1.00 0.00 O ATOM 198 O5' DC A 7 -8.104 5.024 14.974 1.00 0.00 O ATOM 199 C5' DC A 7 -8.535 4.411 13.750 1.00 0.00 C ATOM 200 C4' DC A 7 -8.060 2.962 13.628 1.00 0.00 C ATOM 201 O4' DC A 7 -6.625 2.850 13.800 1.00 0.00 O ATOM 202 C3' DC A 7 -8.720 2.056 14.662 1.00 0.00 C ATOM 203 O3' DC A 7 -9.430 0.987 14.016 1.00 0.00 O ATOM 204 C2' DC A 7 -7.593 1.531 15.486 1.00 0.00 C ATOM 205 C1' DC A 7 -6.349 1.731 14.662 1.00 0.00 C ATOM 206 N1 DC A 7 -5.169 2.000 15.508 1.00 0.00 N ATOM 207 C2 DC A 7 -4.089 1.131 15.407 1.00 0.00 C ATOM 208 O2 DC A 7 -4.134 0.168 14.644 1.00 2.29 O ATOM 209 N3 DC A 7 -2.993 1.377 16.171 1.00 0.00 N ATOM 210 C4 DC A 7 -2.955 2.425 16.997 1.00 0.00 C ATOM 211 N4 DC A 7 -1.869 2.630 17.728 1.00 0.00 N ATOM 212 C5 DC A 7 -4.061 3.321 17.106 1.00 0.00 C ATOM 213 C6 DC A 7 -5.143 3.073 16.349 1.00 0.00 C ATOM 0 H5' DC A 7 -8.158 4.987 12.905 1.00 0.00 H new ATOM 0 H5'' DC A 7 -9.623 4.440 13.695 1.00 0.00 H new ATOM 0 H4' DC A 7 -8.343 2.646 12.624 1.00 0.00 H new ATOM 0 H3' DC A 7 -9.453 2.586 15.270 1.00 0.00 H new ATOM 0 H2' DC A 7 -7.522 2.063 16.435 1.00 0.00 H new ATOM 0 H2'' DC A 7 -7.740 0.477 15.722 1.00 0.00 H new ATOM 0 H1' DC A 7 -6.111 0.831 14.095 1.00 0.00 H new ATOM 0 H41 DC A 7 -1.825 3.426 18.364 1.00 0.00 H new ATOM 0 H42 DC A 7 -1.077 1.991 17.655 1.00 0.00 H new ATOM 0 H5 DC A 7 -4.029 4.169 17.774 1.00 0.00 H new ATOM 0 H6 DC A 7 -5.999 3.729 16.407 1.00 0.00 H new ATOM 225 P DG A 8 -10.794 1.271 13.194 1.00 0.00 P ATOM 226 OP1 DG A 8 -11.651 2.155 14.016 1.00 0.00 O ATOM 227 OP2 DG A 8 -11.322 -0.030 12.723 1.00 0.00 O ATOM 228 O5' DG A 8 -10.286 2.115 11.906 1.00 0.00 O ATOM 229 C5' DG A 8 -10.339 1.563 10.568 1.00 0.00 C ATOM 230 C4' DG A 8 -9.119 1.933 9.727 1.00 0.00 C ATOM 231 O4' DG A 8 -7.880 1.633 10.431 1.00 0.00 O ATOM 232 C3' DG A 8 -9.093 1.163 8.408 1.00 0.00 C ATOM 233 O3' DG A 8 -8.985 2.072 7.303 1.00 0.00 O ATOM 234 C2' DG A 8 -7.879 0.297 8.499 1.00 0.00 C ATOM 235 C1' DG A 8 -6.995 0.933 9.535 1.00 0.00 C ATOM 236 N9 DG A 8 -6.175 -0.077 10.237 1.00 0.00 N ATOM 237 C8 DG A 8 -6.531 -1.013 11.153 1.00 0.00 C ATOM 238 N7 DG A 8 -5.609 -1.794 11.601 1.00 0.00 N ATOM 239 C5 DG A 8 -4.485 -1.334 10.908 1.00 0.00 C ATOM 240 C6 DG A 8 -3.139 -1.781 10.953 1.00 0.00 C ATOM 241 O6 DG A 8 -2.656 -2.689 11.618 1.00 0.00 O ATOM 242 N1 DG A 8 -2.333 -1.048 10.103 1.00 0.00 N ATOM 243 C2 DG A 8 -2.758 -0.013 9.304 1.00 0.00 C ATOM 244 N2 DG A 8 -1.835 0.570 8.565 1.00 0.00 N ATOM 245 N3 DG A 8 -4.013 0.417 9.249 1.00 0.00 N ATOM 246 C4 DG A 8 -4.825 -0.282 10.072 1.00 0.00 C ATOM 0 H5' DG A 8 -11.240 1.918 10.069 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.416 0.478 10.630 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.197 3.003 9.535 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.001 0.581 8.247 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.146 -0.720 8.785 1.00 0.00 H new ATOM 0 H2'' DG A 8 -7.371 0.235 7.537 1.00 0.00 H new ATOM 0 H1' DG A 8 -6.278 1.620 9.084 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.552 -1.100 11.495 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.344 -1.294 10.065 1.00 0.00 H new ATOM 0 H21 DG A 8 -2.087 1.344 7.951 1.00 0.00 H new ATOM 0 H22 DG A 8 -0.869 0.247 8.607 1.00 0.00 H new HETATM 258 P GAO A 9 -9.289 1.593 5.797 1.00 0.00 P HETATM 259 OP1 GAO A 9 -10.751 1.646 5.581 1.00 0.00 O HETATM 260 OP2 GAO A 9 -8.552 0.333 5.549 1.00 0.00 O HETATM 261 O5' GAO A 9 -8.604 2.752 4.911 1.00 0.00 O HETATM 262 C5' GAO A 9 -8.919 4.143 5.127 1.00 0.00 C HETATM 263 C4' GAO A 9 -7.734 5.055 4.858 1.00 0.00 C HETATM 264 O4' GAO A 9 -6.625 4.714 5.699 1.00 0.00 O HETATM 265 C3' GAO A 9 -7.260 4.938 3.415 1.00 0.00 C HETATM 266 O3' GAO A 9 -7.640 6.106 2.664 1.00 0.00 O HETATM 267 C2' GAO A 9 -5.759 4.794 3.499 1.00 0.00 C HETATM 268 O2' GAO A 9 -5.347 3.507 3.013 1.00 0.00 O HETATM 269 C1' GAO A 9 -5.422 4.971 4.968 1.00 0.00 C HETATM 270 N9 GAO A 9 -4.347 4.066 5.406 1.00 0.00 N HETATM 271 C8 GAO A 9 -4.358 2.722 5.517 1.00 0.00 C HETATM 272 N7 GAO A 9 -3.302 2.149 5.991 1.00 0.00 N HETATM 273 C5 GAO A 9 -2.468 3.249 6.228 1.00 0.00 C HETATM 274 C6 GAO A 9 -1.146 3.305 6.753 1.00 0.00 C HETATM 275 O6 GAO A 9 -0.428 2.384 7.137 1.00 0.00 O HETATM 276 N1 GAO A 9 -0.686 4.606 6.817 1.00 0.00 N HETATM 277 C2 GAO A 9 -1.393 5.721 6.430 1.00 0.00 C HETATM 278 N2 GAO A 9 -0.778 6.882 6.560 1.00 0.00 N HETATM 279 N3 GAO A 9 -2.627 5.685 5.941 1.00 0.00 N HETATM 280 C4 GAO A 9 -3.106 4.427 5.865 1.00 0.00 C HETATM 0 HO2' GAO A 9 -5.022 3.594 2.093 1.00 0.00 H new HETATM 0 H5'' GAO A 9 -9.748 4.429 4.480 1.00 0.00 H new HETATM 0 H8 GAO A 9 -5.229 2.139 5.217 1.00 0.00 H new HETATM 0 H5' GAO A 9 -9.254 4.281 6.155 1.00 0.00 H new HETATM 0 H4' GAO A 9 -8.073 6.071 5.062 1.00 0.00 H new HETATM 0 H3' GAO A 9 -7.709 4.089 2.900 1.00 0.00 H new HETATM 0 H22 GAO A 9 -1.252 7.743 6.289 1.00 0.00 H new HETATM 0 H21 GAO A 9 0.171 6.917 6.931 1.00 0.00 H new HETATM 0 H2' GAO A 9 -5.239 5.528 2.883 1.00 0.00 H new HETATM 0 H1' GAO A 9 -5.053 5.981 5.145 1.00 0.00 H new HETATM 0 H1 GAO A 9 0.255 4.752 7.181 1.00 0.00 H new HETATM 292 P UAR A 10 -7.229 6.278 1.113 1.00 0.00 P HETATM 293 OP1 UAR A 10 -8.058 7.354 0.527 1.00 0.00 O HETATM 294 OP2 UAR A 10 -7.208 4.935 0.488 1.00 0.00 O HETATM 295 O5' UAR A 10 -5.709 6.803 1.216 1.00 0.00 O HETATM 296 C5' UAR A 10 -5.405 8.081 1.794 1.00 0.00 C HETATM 297 C4' UAR A 10 -3.902 8.258 2.001 1.00 0.00 C HETATM 298 O4' UAR A 10 -3.381 7.271 2.898 1.00 0.00 O HETATM 299 C3' UAR A 10 -3.139 8.116 0.692 1.00 0.00 C HETATM 300 O3' UAR A 10 -2.777 9.406 0.165 1.00 0.00 O HETATM 301 C2' UAR A 10 -1.922 7.290 1.032 1.00 0.00 C HETATM 302 O2' UAR A 10 -1.928 6.060 0.291 1.00 0.00 O HETATM 303 C1' UAR A 10 -2.017 7.036 2.532 1.00 0.00 C HETATM 304 N1 UAR A 10 -1.607 5.661 2.891 1.00 0.00 N HETATM 305 C2 UAR A 10 -0.365 5.483 3.479 1.00 0.00 C HETATM 306 O2 UAR A 10 0.411 6.411 3.685 1.00 0.00 O HETATM 307 N3 UAR A 10 -0.041 4.191 3.820 1.00 0.00 N HETATM 308 C4 UAR A 10 -0.826 3.074 3.634 1.00 0.00 C HETATM 309 O4 UAR A 10 -0.429 1.971 3.990 1.00 0.00 O HETATM 310 C5 UAR A 10 -2.099 3.344 3.015 1.00 0.00 C HETATM 311 C6 UAR A 10 -2.446 4.604 2.667 1.00 0.00 C HETATM 0 HO2' UAR A 10 -1.763 6.248 -0.657 1.00 0.00 H new HETATM 0 H5'' UAR A 10 -5.780 8.873 1.146 1.00 0.00 H new HETATM 0 H6 UAR A 10 -3.414 4.781 2.198 1.00 0.00 H new HETATM 0 H5' UAR A 10 -5.919 8.181 2.750 1.00 0.00 H new HETATM 0 H5 UAR A 10 -2.790 2.523 2.825 1.00 0.00 H new HETATM 0 H4' UAR A 10 -3.770 9.259 2.412 1.00 0.00 H new HETATM 0 H3' UAR A 10 -3.739 7.639 -0.083 1.00 0.00 H new HETATM 0 H3 UAR A 10 0.871 4.045 4.254 1.00 0.00 H new HETATM 0 H2' UAR A 10 -0.992 7.797 0.773 1.00 0.00 H new HETATM 0 H1' UAR A 10 -1.339 7.699 3.069 1.00 0.00 H new HETATM 322 P CAR A 11 -2.066 9.551 -1.277 1.00 0.00 P HETATM 323 OP1 CAR A 11 -2.145 10.969 -1.691 1.00 0.00 O HETATM 324 OP2 CAR A 11 -2.592 8.489 -2.164 1.00 0.00 O HETATM 325 O5' CAR A 11 -0.530 9.203 -0.939 1.00 0.00 O HETATM 326 C5' CAR A 11 0.246 10.045 -0.073 1.00 0.00 C HETATM 327 C4' CAR A 11 1.542 9.362 0.354 1.00 0.00 C HETATM 328 O4' CAR A 11 1.277 8.150 1.072 1.00 0.00 O HETATM 329 C3' CAR A 11 2.397 8.988 -0.850 1.00 0.00 C HETATM 330 O3' CAR A 11 3.495 9.905 -1.004 1.00 0.00 O HETATM 331 C2' CAR A 11 2.883 7.587 -0.569 1.00 0.00 C HETATM 332 O2' CAR A 11 2.359 6.669 -1.542 1.00 0.00 O HETATM 333 C1' CAR A 11 2.375 7.264 0.829 1.00 0.00 C HETATM 334 N1 CAR A 11 1.959 5.849 0.958 1.00 0.00 N HETATM 335 C2 CAR A 11 2.821 4.971 1.605 1.00 0.00 C HETATM 336 O2 CAR A 11 3.903 5.361 2.040 1.00 0.00 O HETATM 337 N3 CAR A 11 2.435 3.674 1.738 1.00 0.00 N HETATM 338 C4 CAR A 11 1.264 3.250 1.262 1.00 0.00 C HETATM 339 N4 CAR A 11 0.929 1.972 1.417 1.00 0.00 N HETATM 340 C5 CAR A 11 0.374 4.145 0.594 1.00 0.00 C HETATM 341 C6 CAR A 11 0.758 5.428 0.464 1.00 0.00 C HETATM 0 HO2' CAR A 11 2.888 6.728 -2.365 1.00 0.00 H new HETATM 0 HN42 CAR A 11 0.037 1.632 1.059 1.00 0.00 H new HETATM 0 HN41 CAR A 11 1.564 1.332 1.894 1.00 0.00 H new HETATM 0 H5'' CAR A 11 0.477 10.980 -0.584 1.00 0.00 H new HETATM 0 H6 CAR A 11 0.103 6.138 -0.041 1.00 0.00 H new HETATM 0 H5' CAR A 11 -0.340 10.300 0.810 1.00 0.00 H new HETATM 0 H5 CAR A 11 -0.583 3.801 0.203 1.00 0.00 H new HETATM 0 H4' CAR A 11 2.068 10.077 0.987 1.00 0.00 H new HETATM 0 H3' CAR A 11 1.835 9.037 -1.783 1.00 0.00 H new HETATM 0 H2' CAR A 11 3.968 7.505 -0.628 1.00 0.00 H new HETATM 0 H1' CAR A 11 3.168 7.402 1.564 1.00 0.00 H new HETATM 353 P CAR A 12 4.477 9.819 -2.280 1.00 0.00 P HETATM 354 OP1 CAR A 12 5.348 11.014 -2.279 1.00 0.00 O HETATM 355 OP2 CAR A 12 3.662 9.496 -3.473 1.00 0.00 O HETATM 356 O5' CAR A 12 5.379 8.528 -1.931 1.00 0.00 O HETATM 357 C5' CAR A 12 6.389 8.584 -0.913 1.00 0.00 C HETATM 358 C4' CAR A 12 7.021 7.215 -0.679 1.00 0.00 C HETATM 359 O4' CAR A 12 6.072 6.268 -0.164 1.00 0.00 O HETATM 360 C3' CAR A 12 7.567 6.629 -1.975 1.00 0.00 C HETATM 361 O3' CAR A 12 8.990 6.806 -2.069 1.00 0.00 O HETATM 362 C2' CAR A 12 7.190 5.170 -1.933 1.00 0.00 C HETATM 363 O2' CAR A 12 6.289 4.853 -3.007 1.00 0.00 O HETATM 364 C1' CAR A 12 6.519 4.973 -0.579 1.00 0.00 C HETATM 365 N1 CAR A 12 5.402 4.003 -0.659 1.00 0.00 N HETATM 366 C2 CAR A 12 5.640 2.709 -0.212 1.00 0.00 C HETATM 367 O2 CAR A 12 6.734 2.404 0.252 1.00 0.00 O HETATM 368 N3 CAR A 12 4.634 1.800 -0.299 1.00 0.00 N HETATM 369 C4 CAR A 12 3.445 2.138 -0.799 1.00 0.00 C HETATM 370 N4 CAR A 12 2.493 1.213 -0.879 1.00 0.00 N HETATM 371 C5 CAR A 12 3.188 3.469 -1.258 1.00 0.00 C HETATM 372 C6 CAR A 12 4.190 4.365 -1.170 1.00 0.00 C HETATM 0 HO3' CAR A 12 9.313 6.419 -2.909 1.00 0.00 H new HETATM 0 HO2' CAR A 12 6.302 3.887 -3.171 1.00 0.00 H new HETATM 0 HN42 CAR A 12 1.578 1.455 -1.259 1.00 0.00 H new HETATM 0 HN41 CAR A 12 2.678 0.262 -0.560 1.00 0.00 H new HETATM 0 H5'' CAR A 12 7.160 9.298 -1.203 1.00 0.00 H new HETATM 0 H6 CAR A 12 4.031 5.388 -1.510 1.00 0.00 H new HETATM 0 H5' CAR A 12 5.951 8.948 0.016 1.00 0.00 H new HETATM 0 H5 CAR A 12 2.216 3.748 -1.664 1.00 0.00 H new HETATM 0 H4' CAR A 12 7.822 7.379 0.042 1.00 0.00 H new HETATM 0 H3' CAR A 12 7.155 7.126 -2.853 1.00 0.00 H new HETATM 0 H2' CAR A 12 8.054 4.516 -2.053 1.00 0.00 H new HETATM 0 H1' CAR A 12 7.215 4.551 0.146 1.00 0.00 H new TER 385 CAR A 12