USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 155 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 G O2' : rot 180:sc= -0.148 USER MOD Single : A 1 G O5' : rot 180:sc= -0.0285 USER MOD Single : A 2 G O2' : rot -24:sc= 0.0828 USER MOD Single : A 3 C O2' : rot 180:sc= -0.0454 USER MOD Single : A 4 G O2' : rot 180:sc= -0.294 USER MOD Single : A 5 C O2' : rot 180:sc= -0.18 USER MOD Single : A 6 A O2' : rot -13:sc= -0.681 USER MOD Single : A 7 U O2' : rot 23:sc= 0.134 USER MOD Single : A 8 C O2' : rot 180:sc= -0.768 USER MOD Single : A 9 G O2' : rot 13:sc= 0.215 USER MOD Single : A 10 G O2' : rot 180:sc= -0.526 USER MOD Single : A 11 C O2' : rot -18:sc= 0.0362 USER MOD Single : A 12 G O2' : rot -17:sc= 0.0344 USER MOD Single : A 13 C O2' : rot -17:sc= 0.0368 USER MOD Single : A 14 C O2' : rot -24:sc= 0.0851 USER MOD Single : A 14 C O3' : rot 180:sc= 0.106 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 7.997 -8.960 -8.863 1.00 0.00 O ATOM 2 C5' G A 1 9.136 -9.784 -8.729 1.00 0.00 C ATOM 3 C4' G A 1 10.067 -9.272 -7.628 1.00 0.00 C ATOM 4 O4' G A 1 10.700 -8.053 -7.990 1.00 0.00 O ATOM 5 C3' G A 1 9.358 -8.996 -6.310 1.00 0.00 C ATOM 6 O3' G A 1 9.072 -10.160 -5.565 1.00 0.00 O ATOM 7 C2' G A 1 10.411 -8.117 -5.637 1.00 0.00 C ATOM 8 O2' G A 1 11.524 -8.868 -5.188 1.00 0.00 O ATOM 9 C1' G A 1 10.866 -7.262 -6.821 1.00 0.00 C ATOM 10 N9 G A 1 10.027 -6.048 -6.896 1.00 0.00 N ATOM 11 C8 G A 1 8.858 -5.845 -7.582 1.00 0.00 C ATOM 12 N7 G A 1 8.355 -4.650 -7.443 1.00 0.00 N ATOM 13 C5 G A 1 9.265 -4.003 -6.612 1.00 0.00 C ATOM 14 C6 G A 1 9.262 -2.666 -6.116 1.00 0.00 C ATOM 15 O6 G A 1 8.447 -1.771 -6.327 1.00 0.00 O ATOM 16 N1 G A 1 10.352 -2.418 -5.299 1.00 0.00 N ATOM 17 C2 G A 1 11.334 -3.333 -4.999 1.00 0.00 C ATOM 18 N2 G A 1 12.315 -2.926 -4.197 1.00 0.00 N ATOM 19 N3 G A 1 11.351 -4.589 -5.464 1.00 0.00 N ATOM 20 C4 G A 1 10.284 -4.854 -6.261 1.00 0.00 C ATOM 0 H5' G A 1 9.675 -9.820 -9.676 1.00 0.00 H new ATOM 0 H5'' G A 1 8.825 -10.803 -8.500 1.00 0.00 H new ATOM 0 H4' G A 1 10.788 -10.080 -7.504 1.00 0.00 H new ATOM 0 H3' G A 1 8.370 -8.549 -6.416 1.00 0.00 H new ATOM 0 H2' G A 1 10.028 -7.586 -4.766 1.00 0.00 H new ATOM 0 HO2' G A 1 12.174 -8.269 -4.765 1.00 0.00 H new ATOM 0 HO5' G A 1 7.422 -9.311 -9.575 1.00 0.00 H new ATOM 0 H1' G A 1 11.905 -6.951 -6.716 1.00 0.00 H new ATOM 0 H8 G A 1 8.393 -6.610 -8.186 1.00 0.00 H new ATOM 0 H1 G A 1 10.433 -1.487 -4.889 1.00 0.00 H new ATOM 0 H21 G A 1 13.067 -3.567 -3.945 1.00 0.00 H new ATOM 0 H22 G A 1 12.315 -1.973 -3.835 1.00 0.00 H new ATOM 33 P G A 2 7.954 -10.130 -4.406 1.00 0.00 P ATOM 34 OP1 G A 2 6.732 -9.500 -4.955 1.00 0.00 O ATOM 35 OP2 G A 2 7.871 -11.489 -3.824 1.00 0.00 O ATOM 36 O5' G A 2 8.566 -9.146 -3.292 1.00 0.00 O ATOM 37 C5' G A 2 9.672 -9.549 -2.514 1.00 0.00 C ATOM 38 C4' G A 2 10.080 -8.439 -1.551 1.00 0.00 C ATOM 39 O4' G A 2 10.469 -7.250 -2.227 1.00 0.00 O ATOM 40 C3' G A 2 8.972 -8.034 -0.585 1.00 0.00 C ATOM 41 O3' G A 2 8.789 -8.939 0.487 1.00 0.00 O ATOM 42 C2' G A 2 9.487 -6.680 -0.126 1.00 0.00 C ATOM 43 O2' G A 2 10.516 -6.825 0.834 1.00 0.00 O ATOM 44 C1' G A 2 10.107 -6.139 -1.414 1.00 0.00 C ATOM 45 N9 G A 2 9.141 -5.287 -2.131 1.00 0.00 N ATOM 46 C8 G A 2 8.182 -5.648 -3.046 1.00 0.00 C ATOM 47 N7 G A 2 7.470 -4.649 -3.492 1.00 0.00 N ATOM 48 C5 G A 2 7.999 -3.543 -2.827 1.00 0.00 C ATOM 49 C6 G A 2 7.638 -2.162 -2.898 1.00 0.00 C ATOM 50 O6 G A 2 6.759 -1.626 -3.574 1.00 0.00 O ATOM 51 N1 G A 2 8.427 -1.382 -2.064 1.00 0.00 N ATOM 52 C2 G A 2 9.438 -1.857 -1.261 1.00 0.00 C ATOM 53 N2 G A 2 10.101 -0.964 -0.526 1.00 0.00 N ATOM 54 N3 G A 2 9.782 -3.148 -1.188 1.00 0.00 N ATOM 55 C4 G A 2 9.025 -3.926 -1.999 1.00 0.00 C ATOM 0 H5' G A 2 10.510 -9.800 -3.165 1.00 0.00 H new ATOM 0 H5'' G A 2 9.422 -10.450 -1.954 1.00 0.00 H new ATOM 0 H4' G A 2 10.916 -8.873 -1.002 1.00 0.00 H new ATOM 0 H3' G A 2 7.980 -8.019 -1.037 1.00 0.00 H new ATOM 0 H2' G A 2 8.715 -6.058 0.327 1.00 0.00 H new ATOM 0 HO2' G A 2 10.431 -7.696 1.276 1.00 0.00 H new ATOM 0 H1' G A 2 10.983 -5.534 -1.181 1.00 0.00 H new ATOM 0 H8 G A 2 8.031 -6.668 -3.368 1.00 0.00 H new ATOM 0 H1 G A 2 8.243 -0.379 -2.045 1.00 0.00 H new ATOM 0 H21 G A 2 10.859 -1.268 0.085 1.00 0.00 H new ATOM 0 H22 G A 2 9.850 0.024 -0.575 1.00 0.00 H new ATOM 67 P C A 3 7.334 -9.141 1.155 1.00 0.00 P ATOM 68 OP1 C A 3 6.356 -9.323 0.060 1.00 0.00 O ATOM 69 OP2 C A 3 7.467 -10.191 2.192 1.00 0.00 O ATOM 70 O5' C A 3 7.044 -7.734 1.883 1.00 0.00 O ATOM 71 C5' C A 3 7.719 -7.386 3.074 1.00 0.00 C ATOM 72 C4' C A 3 7.295 -5.994 3.539 1.00 0.00 C ATOM 73 O4' C A 3 7.713 -4.970 2.646 1.00 0.00 O ATOM 74 C3' C A 3 5.782 -5.806 3.671 1.00 0.00 C ATOM 75 O3' C A 3 5.198 -6.459 4.781 1.00 0.00 O ATOM 76 C2' C A 3 5.744 -4.288 3.803 1.00 0.00 C ATOM 77 O2' C A 3 6.176 -3.859 5.084 1.00 0.00 O ATOM 78 C1' C A 3 6.802 -3.878 2.777 1.00 0.00 C ATOM 79 N1 C A 3 6.133 -3.577 1.490 1.00 0.00 N ATOM 80 C2 C A 3 5.681 -2.275 1.306 1.00 0.00 C ATOM 81 O2 C A 3 5.830 -1.432 2.190 1.00 0.00 O ATOM 82 N3 C A 3 5.074 -1.950 0.140 1.00 0.00 N ATOM 83 C4 C A 3 4.898 -2.873 -0.805 1.00 0.00 C ATOM 84 N4 C A 3 4.291 -2.507 -1.932 1.00 0.00 N ATOM 85 C5 C A 3 5.344 -4.225 -0.637 1.00 0.00 C ATOM 86 C6 C A 3 5.963 -4.541 0.527 1.00 0.00 C ATOM 0 H5' C A 3 8.796 -7.409 2.909 1.00 0.00 H new ATOM 0 H5'' C A 3 7.500 -8.118 3.851 1.00 0.00 H new ATOM 0 H4' C A 3 7.776 -5.916 4.514 1.00 0.00 H new ATOM 0 H3' C A 3 5.207 -6.236 2.851 1.00 0.00 H new ATOM 0 H2' C A 3 4.746 -3.872 3.660 1.00 0.00 H new ATOM 0 HO2' C A 3 6.139 -2.881 5.131 1.00 0.00 H new ATOM 0 H1' C A 3 7.345 -2.986 3.089 1.00 0.00 H new ATOM 0 H41 C A 3 4.141 -3.189 -2.675 1.00 0.00 H new ATOM 0 H42 C A 3 3.976 -1.544 -2.052 1.00 0.00 H new ATOM 0 H5 C A 3 5.192 -4.965 -1.409 1.00 0.00 H new ATOM 0 H6 C A 3 6.321 -5.546 0.696 1.00 0.00 H new ATOM 98 P G A 4 3.614 -6.744 4.820 1.00 0.00 P ATOM 99 OP1 G A 4 3.194 -7.291 3.508 1.00 0.00 O ATOM 100 OP2 G A 4 3.309 -7.498 6.059 1.00 0.00 O ATOM 101 O5' G A 4 2.977 -5.275 4.961 1.00 0.00 O ATOM 102 C5' G A 4 3.117 -4.538 6.156 1.00 0.00 C ATOM 103 C4' G A 4 2.560 -3.125 5.981 1.00 0.00 C ATOM 104 O4' G A 4 3.218 -2.416 4.947 1.00 0.00 O ATOM 105 C3' G A 4 1.079 -3.056 5.636 1.00 0.00 C ATOM 106 O3' G A 4 0.214 -3.309 6.727 1.00 0.00 O ATOM 107 C2' G A 4 1.007 -1.597 5.203 1.00 0.00 C ATOM 108 O2' G A 4 1.085 -0.723 6.310 1.00 0.00 O ATOM 109 C1' G A 4 2.297 -1.478 4.403 1.00 0.00 C ATOM 110 N9 G A 4 2.012 -1.780 2.978 1.00 0.00 N ATOM 111 C8 G A 4 2.256 -2.921 2.252 1.00 0.00 C ATOM 112 N7 G A 4 1.854 -2.858 1.015 1.00 0.00 N ATOM 113 C5 G A 4 1.305 -1.585 0.900 1.00 0.00 C ATOM 114 C6 G A 4 0.697 -0.951 -0.219 1.00 0.00 C ATOM 115 O6 G A 4 0.514 -1.381 -1.354 1.00 0.00 O ATOM 116 N1 G A 4 0.276 0.331 0.081 1.00 0.00 N ATOM 117 C2 G A 4 0.418 0.931 1.311 1.00 0.00 C ATOM 118 N2 G A 4 -0.058 2.171 1.423 1.00 0.00 N ATOM 119 N3 G A 4 0.992 0.351 2.369 1.00 0.00 N ATOM 120 C4 G A 4 1.412 -0.909 2.093 1.00 0.00 C ATOM 0 H5' G A 4 4.169 -4.488 6.439 1.00 0.00 H new ATOM 0 H5'' G A 4 2.593 -5.044 6.966 1.00 0.00 H new ATOM 0 H4' G A 4 2.728 -2.684 6.964 1.00 0.00 H new ATOM 0 H3' G A 4 0.759 -3.803 4.910 1.00 0.00 H new ATOM 0 H2' G A 4 0.086 -1.344 4.677 1.00 0.00 H new ATOM 0 HO2' G A 4 1.038 0.205 5.998 1.00 0.00 H new ATOM 0 H1' G A 4 2.716 -0.473 4.459 1.00 0.00 H new ATOM 0 H8 G A 4 2.738 -3.792 2.670 1.00 0.00 H new ATOM 0 H1 G A 4 -0.171 0.870 -0.661 1.00 0.00 H new ATOM 0 H21 G A 4 0.018 2.668 2.310 1.00 0.00 H new ATOM 0 H22 G A 4 -0.498 2.623 0.621 1.00 0.00 H new ATOM 132 P C A 5 -1.329 -3.718 6.487 1.00 0.00 P ATOM 133 OP1 C A 5 -1.937 -3.976 7.815 1.00 0.00 O ATOM 134 OP2 C A 5 -1.372 -4.768 5.448 1.00 0.00 O ATOM 135 O5' C A 5 -2.001 -2.391 5.887 1.00 0.00 O ATOM 136 C5' C A 5 -2.142 -1.238 6.691 1.00 0.00 C ATOM 137 C4' C A 5 -2.761 -0.084 5.891 1.00 0.00 C ATOM 138 O4' C A 5 -1.978 0.240 4.751 1.00 0.00 O ATOM 139 C3' C A 5 -4.159 -0.378 5.355 1.00 0.00 C ATOM 140 O3' C A 5 -5.172 -0.301 6.341 1.00 0.00 O ATOM 141 C2' C A 5 -4.258 0.718 4.295 1.00 0.00 C ATOM 142 O2' C A 5 -4.488 1.990 4.866 1.00 0.00 O ATOM 143 C1' C A 5 -2.838 0.725 3.721 1.00 0.00 C ATOM 144 N1 C A 5 -2.778 -0.122 2.508 1.00 0.00 N ATOM 145 C2 C A 5 -3.203 0.454 1.314 1.00 0.00 C ATOM 146 O2 C A 5 -3.616 1.611 1.279 1.00 0.00 O ATOM 147 N3 C A 5 -3.159 -0.280 0.176 1.00 0.00 N ATOM 148 C4 C A 5 -2.723 -1.537 0.207 1.00 0.00 C ATOM 149 N4 C A 5 -2.697 -2.232 -0.930 1.00 0.00 N ATOM 150 C5 C A 5 -2.284 -2.152 1.420 1.00 0.00 C ATOM 151 C6 C A 5 -2.330 -1.420 2.557 1.00 0.00 C ATOM 0 H5' C A 5 -1.168 -0.937 7.076 1.00 0.00 H new ATOM 0 H5'' C A 5 -2.769 -1.465 7.553 1.00 0.00 H new ATOM 0 H4' C A 5 -2.805 0.733 6.612 1.00 0.00 H new ATOM 0 H3' C A 5 -4.302 -1.392 4.983 1.00 0.00 H new ATOM 0 H2' C A 5 -5.068 0.535 3.589 1.00 0.00 H new ATOM 0 HO2' C A 5 -4.544 2.662 4.155 1.00 0.00 H new ATOM 0 H1' C A 5 -2.528 1.725 3.418 1.00 0.00 H new ATOM 0 H41 C A 5 -2.367 -3.197 -0.930 1.00 0.00 H new ATOM 0 H42 C A 5 -3.007 -1.799 -1.800 1.00 0.00 H new ATOM 0 H5 C A 5 -1.926 -3.171 1.429 1.00 0.00 H new ATOM 0 H6 C A 5 -2.017 -1.853 3.496 1.00 0.00 H new ATOM 163 P A A 6 -6.624 -0.962 6.113 1.00 0.00 P ATOM 164 OP1 A A 6 -6.428 -2.373 5.694 1.00 0.00 O ATOM 165 OP2 A A 6 -7.448 -0.667 7.310 1.00 0.00 O ATOM 166 O5' A A 6 -7.244 -0.159 4.861 1.00 0.00 O ATOM 167 C5' A A 6 -7.641 1.196 4.981 1.00 0.00 C ATOM 168 C4' A A 6 -7.980 1.761 3.608 1.00 0.00 C ATOM 169 O4' A A 6 -6.889 1.543 2.715 1.00 0.00 O ATOM 170 C3' A A 6 -9.200 1.092 2.978 1.00 0.00 C ATOM 171 O3' A A 6 -10.424 1.699 3.350 1.00 0.00 O ATOM 172 C2' A A 6 -8.908 1.269 1.495 1.00 0.00 C ATOM 173 O2' A A 6 -9.269 2.570 1.066 1.00 0.00 O ATOM 174 C1' A A 6 -7.386 1.206 1.433 1.00 0.00 C ATOM 175 N9 A A 6 -6.914 -0.136 1.042 1.00 0.00 N ATOM 176 C8 A A 6 -6.389 -1.139 1.808 1.00 0.00 C ATOM 177 N7 A A 6 -6.049 -2.205 1.133 1.00 0.00 N ATOM 178 C5 A A 6 -6.400 -1.893 -0.175 1.00 0.00 C ATOM 179 C6 A A 6 -6.318 -2.591 -1.397 1.00 0.00 C ATOM 180 N6 A A 6 -5.830 -3.826 -1.508 1.00 0.00 N ATOM 181 N1 A A 6 -6.749 -1.992 -2.511 1.00 0.00 N ATOM 182 C2 A A 6 -7.236 -0.758 -2.425 1.00 0.00 C ATOM 183 N3 A A 6 -7.372 0.009 -1.352 1.00 0.00 N ATOM 184 C4 A A 6 -6.928 -0.628 -0.238 1.00 0.00 C ATOM 0 H5' A A 6 -6.841 1.779 5.436 1.00 0.00 H new ATOM 0 H5'' A A 6 -8.506 1.273 5.639 1.00 0.00 H new ATOM 0 H4' A A 6 -8.188 2.820 3.759 1.00 0.00 H new ATOM 0 H3' A A 6 -9.333 0.057 3.293 1.00 0.00 H new ATOM 0 H2' A A 6 -9.439 0.536 0.887 1.00 0.00 H new ATOM 0 HO2' A A 6 -9.821 3.000 1.753 1.00 0.00 H new ATOM 0 H1' A A 6 -7.023 1.904 0.678 1.00 0.00 H new ATOM 0 H8 A A 6 -6.266 -1.058 2.878 1.00 0.00 H new ATOM 0 H61 A A 6 -5.796 -4.281 -2.420 1.00 0.00 H new ATOM 0 H62 A A 6 -5.490 -4.316 -0.681 1.00 0.00 H new ATOM 0 H2 A A 6 -7.566 -0.321 -3.356 1.00 0.00 H new ATOM 196 P U A 7 -11.826 0.892 3.291 1.00 0.00 P ATOM 197 OP1 U A 7 -11.664 -0.347 4.087 1.00 0.00 O ATOM 198 OP2 U A 7 -12.914 1.841 3.627 1.00 0.00 O ATOM 199 O5' U A 7 -11.994 0.457 1.747 1.00 0.00 O ATOM 200 C5' U A 7 -12.258 1.404 0.739 1.00 0.00 C ATOM 201 C4' U A 7 -12.348 0.697 -0.628 1.00 0.00 C ATOM 202 O4' U A 7 -11.159 -0.053 -0.875 1.00 0.00 O ATOM 203 C3' U A 7 -13.528 -0.270 -0.649 1.00 0.00 C ATOM 204 O3' U A 7 -14.222 -0.273 -1.881 1.00 0.00 O ATOM 205 C2' U A 7 -12.848 -1.593 -0.390 1.00 0.00 C ATOM 206 O2' U A 7 -13.583 -2.708 -0.870 1.00 0.00 O ATOM 207 C1' U A 7 -11.511 -1.400 -1.086 1.00 0.00 C ATOM 208 N1 U A 7 -10.524 -2.347 -0.522 1.00 0.00 N ATOM 209 C2 U A 7 -10.022 -3.342 -1.348 1.00 0.00 C ATOM 210 O2 U A 7 -10.350 -3.461 -2.529 1.00 0.00 O ATOM 211 N3 U A 7 -9.123 -4.209 -0.775 1.00 0.00 N ATOM 212 C4 U A 7 -8.695 -4.171 0.542 1.00 0.00 C ATOM 213 O4 U A 7 -7.891 -5.002 0.952 1.00 0.00 O ATOM 214 C5 U A 7 -9.267 -3.105 1.340 1.00 0.00 C ATOM 215 C6 U A 7 -10.151 -2.235 0.794 1.00 0.00 C ATOM 0 H5' U A 7 -11.470 2.157 0.719 1.00 0.00 H new ATOM 0 H5'' U A 7 -13.191 1.925 0.952 1.00 0.00 H new ATOM 0 H4' U A 7 -12.477 1.463 -1.393 1.00 0.00 H new ATOM 0 H3' U A 7 -14.301 -0.012 0.075 1.00 0.00 H new ATOM 0 H2' U A 7 -12.751 -1.831 0.669 1.00 0.00 H new ATOM 0 HO2' U A 7 -14.188 -2.418 -1.584 1.00 0.00 H new ATOM 0 H1' U A 7 -11.551 -1.605 -2.156 1.00 0.00 H new ATOM 0 H3 U A 7 -8.738 -4.943 -1.370 1.00 0.00 H new ATOM 0 H5 U A 7 -8.987 -3.003 2.378 1.00 0.00 H new ATOM 0 H6 U A 7 -10.567 -1.445 1.401 1.00 0.00 H new ATOM 226 P C A 8 -15.052 1.023 -2.358 1.00 0.00 P ATOM 227 OP1 C A 8 -15.183 1.944 -1.206 1.00 0.00 O ATOM 228 OP2 C A 8 -16.268 0.550 -3.062 1.00 0.00 O ATOM 229 O5' C A 8 -14.069 1.711 -3.438 1.00 0.00 O ATOM 230 C5' C A 8 -14.180 1.380 -4.802 1.00 0.00 C ATOM 231 C4' C A 8 -13.132 2.112 -5.631 1.00 0.00 C ATOM 232 O4' C A 8 -13.234 3.516 -5.455 1.00 0.00 O ATOM 233 C3' C A 8 -11.728 1.712 -5.207 1.00 0.00 C ATOM 234 O3' C A 8 -11.294 0.505 -5.792 1.00 0.00 O ATOM 235 C2' C A 8 -10.971 2.967 -5.651 1.00 0.00 C ATOM 236 O2' C A 8 -10.764 3.069 -7.047 1.00 0.00 O ATOM 237 C1' C A 8 -11.943 4.050 -5.182 1.00 0.00 C ATOM 238 N1 C A 8 -11.821 4.372 -3.733 1.00 0.00 N ATOM 239 C2 C A 8 -12.574 5.441 -3.268 1.00 0.00 C ATOM 240 O2 C A 8 -13.293 6.080 -4.038 1.00 0.00 O ATOM 241 N3 C A 8 -12.512 5.776 -1.952 1.00 0.00 N ATOM 242 C4 C A 8 -11.731 5.085 -1.122 1.00 0.00 C ATOM 243 N4 C A 8 -11.706 5.439 0.159 1.00 0.00 N ATOM 244 C5 C A 8 -10.942 3.992 -1.577 1.00 0.00 C ATOM 245 C6 C A 8 -11.003 3.669 -2.889 1.00 0.00 C ATOM 0 H5' C A 8 -15.177 1.636 -5.162 1.00 0.00 H new ATOM 0 H5'' C A 8 -14.062 0.304 -4.929 1.00 0.00 H new ATOM 0 H4' C A 8 -13.312 1.842 -6.671 1.00 0.00 H new ATOM 0 H3' C A 8 -11.598 1.469 -4.152 1.00 0.00 H new ATOM 0 H2' C A 8 -9.958 3.007 -5.250 1.00 0.00 H new ATOM 0 HO2' C A 8 -10.277 3.896 -7.246 1.00 0.00 H new ATOM 0 H1' C A 8 -11.738 4.989 -5.696 1.00 0.00 H new ATOM 0 H41 C A 8 -11.118 4.929 0.818 1.00 0.00 H new ATOM 0 H42 C A 8 -12.275 6.221 0.483 1.00 0.00 H new ATOM 0 H5 C A 8 -10.314 3.437 -0.896 1.00 0.00 H new ATOM 0 H6 C A 8 -10.405 2.855 -3.272 1.00 0.00 H new ATOM 257 P G A 9 -9.875 -0.131 -5.377 1.00 0.00 P ATOM 258 OP1 G A 9 -10.102 -1.462 -4.770 1.00 0.00 O ATOM 259 OP2 G A 9 -9.090 0.892 -4.650 1.00 0.00 O ATOM 260 O5' G A 9 -9.199 -0.351 -6.814 1.00 0.00 O ATOM 261 C5' G A 9 -9.135 0.719 -7.732 1.00 0.00 C ATOM 262 C4' G A 9 -8.399 0.305 -9.003 1.00 0.00 C ATOM 263 O4' G A 9 -9.187 -0.598 -9.754 1.00 0.00 O ATOM 264 C3' G A 9 -8.273 1.523 -9.903 1.00 0.00 C ATOM 265 O3' G A 9 -7.285 1.366 -10.905 1.00 0.00 O ATOM 266 C2' G A 9 -9.669 1.595 -10.511 1.00 0.00 C ATOM 267 O2' G A 9 -9.651 2.063 -11.842 1.00 0.00 O ATOM 268 C1' G A 9 -10.180 0.148 -10.435 1.00 0.00 C ATOM 269 N9 G A 9 -11.491 0.090 -9.747 1.00 0.00 N ATOM 270 C8 G A 9 -12.452 1.066 -9.673 1.00 0.00 C ATOM 271 N7 G A 9 -13.508 0.729 -8.983 1.00 0.00 N ATOM 272 C5 G A 9 -13.230 -0.573 -8.580 1.00 0.00 C ATOM 273 C6 G A 9 -14.007 -1.470 -7.785 1.00 0.00 C ATOM 274 O6 G A 9 -15.117 -1.280 -7.282 1.00 0.00 O ATOM 275 N1 G A 9 -13.376 -2.690 -7.593 1.00 0.00 N ATOM 276 C2 G A 9 -12.147 -3.018 -8.124 1.00 0.00 C ATOM 277 N2 G A 9 -11.704 -4.250 -7.864 1.00 0.00 N ATOM 278 N3 G A 9 -11.409 -2.184 -8.866 1.00 0.00 N ATOM 279 C4 G A 9 -12.004 -0.977 -9.044 1.00 0.00 C ATOM 0 H5' G A 9 -8.627 1.567 -7.273 1.00 0.00 H new ATOM 0 H5'' G A 9 -10.143 1.049 -7.982 1.00 0.00 H new ATOM 0 H4' G A 9 -7.442 -0.129 -8.713 1.00 0.00 H new ATOM 0 H3' G A 9 -7.961 2.421 -9.369 1.00 0.00 H new ATOM 0 H2' G A 9 -10.308 2.300 -9.980 1.00 0.00 H new ATOM 0 HO2' G A 9 -8.730 2.058 -12.178 1.00 0.00 H new ATOM 0 H1' G A 9 -10.345 -0.269 -11.428 1.00 0.00 H new ATOM 0 H8 G A 9 -12.344 2.031 -10.145 1.00 0.00 H new ATOM 0 H1 G A 9 -13.852 -3.389 -7.023 1.00 0.00 H new ATOM 0 H21 G A 9 -10.801 -4.555 -8.228 1.00 0.00 H new ATOM 0 H22 G A 9 -12.268 -4.887 -7.301 1.00 0.00 H new ATOM 291 P G A 10 -5.720 1.285 -10.540 1.00 0.00 P ATOM 292 OP1 G A 10 -5.434 -0.075 -10.020 1.00 0.00 O ATOM 293 OP2 G A 10 -4.953 1.808 -11.697 1.00 0.00 O ATOM 294 O5' G A 10 -5.594 2.341 -9.334 1.00 0.00 O ATOM 295 C5' G A 10 -5.875 3.709 -9.546 1.00 0.00 C ATOM 296 C4' G A 10 -5.979 4.468 -8.224 1.00 0.00 C ATOM 297 O4' G A 10 -6.837 3.810 -7.305 1.00 0.00 O ATOM 298 C3' G A 10 -4.617 4.578 -7.549 1.00 0.00 C ATOM 299 O3' G A 10 -3.861 5.647 -8.090 1.00 0.00 O ATOM 300 C2' G A 10 -5.086 4.823 -6.116 1.00 0.00 C ATOM 301 O2' G A 10 -5.548 6.137 -5.866 1.00 0.00 O ATOM 302 C1' G A 10 -6.238 3.836 -6.020 1.00 0.00 C ATOM 303 N9 G A 10 -5.727 2.502 -5.649 1.00 0.00 N ATOM 304 C8 G A 10 -5.591 1.389 -6.435 1.00 0.00 C ATOM 305 N7 G A 10 -5.052 0.372 -5.819 1.00 0.00 N ATOM 306 C5 G A 10 -4.838 0.833 -4.524 1.00 0.00 C ATOM 307 C6 G A 10 -4.269 0.170 -3.395 1.00 0.00 C ATOM 308 O6 G A 10 -3.814 -0.971 -3.320 1.00 0.00 O ATOM 309 N1 G A 10 -4.259 0.982 -2.272 1.00 0.00 N ATOM 310 C2 G A 10 -4.719 2.277 -2.236 1.00 0.00 C ATOM 311 N2 G A 10 -4.644 2.907 -1.066 1.00 0.00 N ATOM 312 N3 G A 10 -5.229 2.912 -3.293 1.00 0.00 N ATOM 313 C4 G A 10 -5.265 2.131 -4.406 1.00 0.00 C ATOM 0 H5' G A 10 -6.809 3.809 -10.099 1.00 0.00 H new ATOM 0 H5'' G A 10 -5.092 4.152 -10.161 1.00 0.00 H new ATOM 0 H4' G A 10 -6.375 5.452 -8.474 1.00 0.00 H new ATOM 0 H3' G A 10 -3.944 3.728 -7.663 1.00 0.00 H new ATOM 0 H2' G A 10 -4.280 4.700 -5.392 1.00 0.00 H new ATOM 0 HO2' G A 10 -5.830 6.212 -4.931 1.00 0.00 H new ATOM 0 H1' G A 10 -6.962 4.126 -5.258 1.00 0.00 H new ATOM 0 H8 G A 10 -5.901 1.356 -7.469 1.00 0.00 H new ATOM 0 H1 G A 10 -3.883 0.590 -1.409 1.00 0.00 H new ATOM 0 H21 G A 10 -4.971 3.869 -0.983 1.00 0.00 H new ATOM 0 H22 G A 10 -4.259 2.427 -0.252 1.00 0.00 H new ATOM 325 P C A 11 -2.265 5.745 -7.887 1.00 0.00 P ATOM 326 OP1 C A 11 -1.789 6.957 -8.592 1.00 0.00 O ATOM 327 OP2 C A 11 -1.672 4.430 -8.224 1.00 0.00 O ATOM 328 O5' C A 11 -2.101 5.995 -6.307 1.00 0.00 O ATOM 329 C5' C A 11 -2.547 7.193 -5.712 1.00 0.00 C ATOM 330 C4' C A 11 -2.407 7.104 -4.194 1.00 0.00 C ATOM 331 O4' C A 11 -3.087 5.966 -3.674 1.00 0.00 O ATOM 332 C3' C A 11 -0.952 6.956 -3.766 1.00 0.00 C ATOM 333 O3' C A 11 -0.241 8.177 -3.818 1.00 0.00 O ATOM 334 C2' C A 11 -1.148 6.401 -2.366 1.00 0.00 C ATOM 335 O2' C A 11 -1.552 7.424 -1.477 1.00 0.00 O ATOM 336 C1' C A 11 -2.332 5.457 -2.578 1.00 0.00 C ATOM 337 N1 C A 11 -1.854 4.081 -2.851 1.00 0.00 N ATOM 338 C2 C A 11 -1.403 3.334 -1.769 1.00 0.00 C ATOM 339 O2 C A 11 -1.420 3.808 -0.632 1.00 0.00 O ATOM 340 N3 C A 11 -0.948 2.067 -1.982 1.00 0.00 N ATOM 341 C4 C A 11 -0.937 1.554 -3.213 1.00 0.00 C ATOM 342 N4 C A 11 -0.475 0.312 -3.385 1.00 0.00 N ATOM 343 C5 C A 11 -1.401 2.296 -4.346 1.00 0.00 C ATOM 344 C6 C A 11 -1.843 3.545 -4.111 1.00 0.00 C ATOM 0 H5' C A 11 -3.588 7.377 -5.980 1.00 0.00 H new ATOM 0 H5'' C A 11 -1.967 8.035 -6.091 1.00 0.00 H new ATOM 0 H4' C A 11 -2.833 8.030 -3.809 1.00 0.00 H new ATOM 0 H3' C A 11 -0.336 6.325 -4.407 1.00 0.00 H new ATOM 0 H2' C A 11 -0.249 5.946 -1.949 1.00 0.00 H new ATOM 0 HO2' C A 11 -1.350 8.298 -1.871 1.00 0.00 H new ATOM 0 H1' C A 11 -2.954 5.406 -1.684 1.00 0.00 H new ATOM 0 H41 C A 11 -0.457 -0.101 -4.318 1.00 0.00 H new ATOM 0 H42 C A 11 -0.140 -0.223 -2.584 1.00 0.00 H new ATOM 0 H5 C A 11 -1.396 1.874 -5.340 1.00 0.00 H new ATOM 0 H6 C A 11 -2.199 4.141 -4.939 1.00 0.00 H new ATOM 356 P G A 12 1.358 8.194 -4.017 1.00 0.00 P ATOM 357 OP1 G A 12 1.776 9.609 -4.204 1.00 0.00 O ATOM 358 OP2 G A 12 1.712 7.173 -5.032 1.00 0.00 O ATOM 359 O5' G A 12 1.928 7.705 -2.597 1.00 0.00 O ATOM 360 C5' G A 12 1.815 8.507 -1.437 1.00 0.00 C ATOM 361 C4' G A 12 2.656 7.905 -0.312 1.00 0.00 C ATOM 362 O4' G A 12 2.121 6.680 0.160 1.00 0.00 O ATOM 363 C3' G A 12 4.079 7.612 -0.780 1.00 0.00 C ATOM 364 O3' G A 12 4.891 8.770 -0.804 1.00 0.00 O ATOM 365 C2' G A 12 4.503 6.587 0.267 1.00 0.00 C ATOM 366 O2' G A 12 4.840 7.201 1.499 1.00 0.00 O ATOM 367 C1' G A 12 3.202 5.806 0.463 1.00 0.00 C ATOM 368 N9 G A 12 3.167 4.629 -0.431 1.00 0.00 N ATOM 369 C8 G A 12 2.849 4.566 -1.763 1.00 0.00 C ATOM 370 N7 G A 12 2.901 3.361 -2.265 1.00 0.00 N ATOM 371 C5 G A 12 3.304 2.570 -1.192 1.00 0.00 C ATOM 372 C6 G A 12 3.575 1.167 -1.128 1.00 0.00 C ATOM 373 O6 G A 12 3.467 0.327 -2.015 1.00 0.00 O ATOM 374 N1 G A 12 4.012 0.786 0.128 1.00 0.00 N ATOM 375 C2 G A 12 4.137 1.628 1.206 1.00 0.00 C ATOM 376 N2 G A 12 4.567 1.090 2.342 1.00 0.00 N ATOM 377 N3 G A 12 3.861 2.934 1.168 1.00 0.00 N ATOM 378 C4 G A 12 3.465 3.338 -0.066 1.00 0.00 C ATOM 0 H5' G A 12 0.772 8.573 -1.129 1.00 0.00 H new ATOM 0 H5'' G A 12 2.149 9.522 -1.651 1.00 0.00 H new ATOM 0 H4' G A 12 2.651 8.649 0.485 1.00 0.00 H new ATOM 0 H3' G A 12 4.163 7.256 -1.807 1.00 0.00 H new ATOM 0 H2' G A 12 5.373 6.006 -0.037 1.00 0.00 H new ATOM 0 HO2' G A 12 4.993 8.158 1.356 1.00 0.00 H new ATOM 0 H1' G A 12 3.129 5.449 1.490 1.00 0.00 H new ATOM 0 H8 G A 12 2.580 5.435 -2.345 1.00 0.00 H new ATOM 0 H1 G A 12 4.260 -0.194 0.264 1.00 0.00 H new ATOM 0 H21 G A 12 4.677 1.672 3.172 1.00 0.00 H new ATOM 0 H22 G A 12 4.787 0.095 2.384 1.00 0.00 H new ATOM 390 P C A 13 6.149 8.878 -1.794 1.00 0.00 P ATOM 391 OP1 C A 13 6.789 10.195 -1.572 1.00 0.00 O ATOM 392 OP2 C A 13 5.689 8.505 -3.155 1.00 0.00 O ATOM 393 O5' C A 13 7.166 7.737 -1.301 1.00 0.00 O ATOM 394 C5' C A 13 7.865 7.863 -0.082 1.00 0.00 C ATOM 395 C4' C A 13 8.798 6.666 0.119 1.00 0.00 C ATOM 396 O4' C A 13 8.067 5.480 0.380 1.00 0.00 O ATOM 397 C3' C A 13 9.639 6.353 -1.109 1.00 0.00 C ATOM 398 O3' C A 13 10.710 7.252 -1.302 1.00 0.00 O ATOM 399 C2' C A 13 10.076 4.926 -0.774 1.00 0.00 C ATOM 400 O2' C A 13 11.115 4.910 0.179 1.00 0.00 O ATOM 401 C1' C A 13 8.815 4.366 -0.108 1.00 0.00 C ATOM 402 N1 C A 13 8.015 3.587 -1.084 1.00 0.00 N ATOM 403 C2 C A 13 8.244 2.221 -1.152 1.00 0.00 C ATOM 404 O2 C A 13 9.089 1.691 -0.435 1.00 0.00 O ATOM 405 N3 C A 13 7.521 1.470 -2.022 1.00 0.00 N ATOM 406 C4 C A 13 6.612 2.043 -2.810 1.00 0.00 C ATOM 407 N4 C A 13 5.929 1.265 -3.648 1.00 0.00 N ATOM 408 C5 C A 13 6.363 3.447 -2.770 1.00 0.00 C ATOM 409 C6 C A 13 7.085 4.179 -1.891 1.00 0.00 C ATOM 0 H5' C A 13 7.159 7.926 0.746 1.00 0.00 H new ATOM 0 H5'' C A 13 8.442 8.788 -0.079 1.00 0.00 H new ATOM 0 H4' C A 13 9.433 6.955 0.956 1.00 0.00 H new ATOM 0 H3' C A 13 9.114 6.449 -2.059 1.00 0.00 H new ATOM 0 H2' C A 13 10.440 4.382 -1.646 1.00 0.00 H new ATOM 0 HO2' C A 13 11.530 5.797 0.226 1.00 0.00 H new ATOM 0 H1' C A 13 9.076 3.692 0.708 1.00 0.00 H new ATOM 0 H41 C A 13 5.226 1.673 -4.264 1.00 0.00 H new ATOM 0 H42 C A 13 6.109 0.261 -3.673 1.00 0.00 H new ATOM 0 H5 C A 13 5.628 3.906 -3.415 1.00 0.00 H new ATOM 0 H6 C A 13 6.924 5.245 -1.826 1.00 0.00 H new ATOM 421 P C A 14 11.383 7.414 -2.751 1.00 0.00 P ATOM 422 OP1 C A 14 10.297 7.413 -3.757 1.00 0.00 O ATOM 423 OP2 C A 14 12.329 8.556 -2.697 1.00 0.00 O ATOM 424 O5' C A 14 12.247 6.066 -2.943 1.00 0.00 O ATOM 425 C5' C A 14 13.428 5.854 -2.205 1.00 0.00 C ATOM 426 C4' C A 14 14.026 4.484 -2.541 1.00 0.00 C ATOM 427 O4' C A 14 13.184 3.432 -2.107 1.00 0.00 O ATOM 428 C3' C A 14 14.223 4.274 -4.043 1.00 0.00 C ATOM 429 O3' C A 14 15.391 4.887 -4.551 1.00 0.00 O ATOM 430 C2' C A 14 14.302 2.752 -4.101 1.00 0.00 C ATOM 431 O2' C A 14 15.588 2.277 -3.737 1.00 0.00 O ATOM 432 C1' C A 14 13.301 2.345 -3.018 1.00 0.00 C ATOM 433 N1 C A 14 11.992 2.038 -3.637 1.00 0.00 N ATOM 434 C2 C A 14 11.666 0.699 -3.825 1.00 0.00 C ATOM 435 O2 C A 14 12.426 -0.197 -3.454 1.00 0.00 O ATOM 436 N3 C A 14 10.492 0.384 -4.424 1.00 0.00 N ATOM 437 C4 C A 14 9.656 1.347 -4.808 1.00 0.00 C ATOM 438 N4 C A 14 8.522 0.974 -5.394 1.00 0.00 N ATOM 439 C5 C A 14 9.944 2.734 -4.604 1.00 0.00 C ATOM 440 C6 C A 14 11.127 3.031 -4.014 1.00 0.00 C ATOM 0 H5' C A 14 13.214 5.913 -1.138 1.00 0.00 H new ATOM 0 H5'' C A 14 14.151 6.639 -2.429 1.00 0.00 H new ATOM 0 H4' C A 14 14.988 4.469 -2.029 1.00 0.00 H new ATOM 0 H3' C A 14 13.439 4.721 -4.655 1.00 0.00 H new ATOM 0 H2' C A 14 14.103 2.357 -5.097 1.00 0.00 H new ATOM 0 HO2' C A 14 16.252 2.983 -3.886 1.00 0.00 H new ATOM 0 HO3' C A 14 15.459 4.714 -5.513 1.00 0.00 H new ATOM 0 H1' C A 14 13.640 1.453 -2.491 1.00 0.00 H new ATOM 0 H41 C A 14 7.853 1.678 -5.704 1.00 0.00 H new ATOM 0 H42 C A 14 8.322 -0.016 -5.533 1.00 0.00 H new ATOM 0 H5 C A 14 9.252 3.506 -4.906 1.00 0.00 H new ATOM 0 H6 C A 14 11.391 4.063 -3.839 1.00 0.00 H new TER 453 C A 14