USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 154 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 -13:sc= 0.367 USER MOD Single : A 1 G O5' : rot -12:sc= 0.821 USER MOD Single : A 2 G O2' : rot -22:sc= 0.322 USER MOD Single : A 3 U O2' : rot -7:sc= 0.35 USER MOD Single : A 4 U O2' : rot -11:sc= 0.386 USER MOD Single : A 5 C O2' : rot -77:sc= 0.464 USER MOD Single : A 6 A O2' : rot -18:sc= -1.19! USER MOD Single : A 7 G O2' : rot -37:sc= 0.572 USER MOD Single : A 8 A O2' : rot 60:sc= -7.54! USER MOD Single : A 9 A O2' : rot 3:sc= 0.488 USER MOD Single : A 10 G O2' : rot -17:sc= 0.282 USER MOD Single : A 11 A O2' : rot -16:sc= 0.405 USER MOD Single : A 12 A O2' : rot -14:sc= 0.332 USER MOD Single : A 13 C O2' : rot -123:sc= 1.21 USER MOD Single : A 14 C O2' : rot -17:sc= 0.191 USER MOD Single : A 14 C O3' : rot 180:sc= 0.194 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.213 -6.740 -8.946 1.00 0.00 O ATOM 2 C5' G A 1 -5.591 -6.682 -9.322 1.00 0.00 C ATOM 3 C4' G A 1 -6.428 -7.694 -8.544 1.00 0.00 C ATOM 4 O4' G A 1 -5.788 -8.975 -8.511 1.00 0.00 O ATOM 5 C3' G A 1 -6.597 -7.260 -7.094 1.00 0.00 C ATOM 6 O3' G A 1 -7.878 -6.640 -6.955 1.00 0.00 O ATOM 7 C2' G A 1 -6.616 -8.572 -6.329 1.00 0.00 C ATOM 8 O2' G A 1 -7.938 -9.120 -6.260 1.00 0.00 O ATOM 9 C1' G A 1 -5.690 -9.448 -7.160 1.00 0.00 C ATOM 10 N9 G A 1 -4.302 -9.366 -6.669 1.00 0.00 N ATOM 11 C8 G A 1 -3.182 -8.939 -7.303 1.00 0.00 C ATOM 12 N7 G A 1 -2.073 -8.969 -6.644 1.00 0.00 N ATOM 13 C5 G A 1 -2.488 -9.480 -5.410 1.00 0.00 C ATOM 14 C6 G A 1 -1.733 -9.754 -4.237 1.00 0.00 C ATOM 15 O6 G A 1 -0.527 -9.600 -4.052 1.00 0.00 O ATOM 16 N1 G A 1 -2.536 -10.259 -3.222 1.00 0.00 N ATOM 17 C2 G A 1 -3.896 -10.473 -3.315 1.00 0.00 C ATOM 18 N2 G A 1 -4.492 -10.965 -2.228 1.00 0.00 N ATOM 19 N3 G A 1 -4.613 -10.217 -4.413 1.00 0.00 N ATOM 20 C4 G A 1 -3.853 -9.725 -5.418 1.00 0.00 C ATOM 0 H5' G A 1 -5.686 -6.875 -10.391 1.00 0.00 H new ATOM 0 H5'' G A 1 -5.975 -5.678 -9.144 1.00 0.00 H new ATOM 0 H4' G A 1 -7.391 -7.752 -9.051 1.00 0.00 H new ATOM 0 H3' G A 1 -5.826 -6.568 -6.754 1.00 0.00 H new ATOM 0 H2' G A 1 -6.303 -8.474 -5.290 1.00 0.00 H new ATOM 0 HO2' G A 1 -8.588 -8.443 -6.542 1.00 0.00 H new ATOM 0 HO5' G A 1 -4.119 -7.274 -8.130 1.00 0.00 H new ATOM 0 H1' G A 1 -5.979 -10.497 -7.092 1.00 0.00 H new ATOM 0 H8 G A 1 -3.217 -8.586 -8.323 1.00 0.00 H new ATOM 0 H1 G A 1 -2.084 -10.490 -2.337 1.00 0.00 H new ATOM 0 H21 G A 1 -5.496 -11.145 -2.234 1.00 0.00 H new ATOM 0 H22 G A 1 -3.944 -11.161 -1.391 1.00 0.00 H new ATOM 33 P G A 2 -8.018 -5.210 -6.228 1.00 0.00 P ATOM 34 OP1 G A 2 -9.165 -4.495 -6.830 1.00 0.00 O ATOM 35 OP2 G A 2 -6.682 -4.573 -6.199 1.00 0.00 O ATOM 36 O5' G A 2 -8.415 -5.618 -4.722 1.00 0.00 O ATOM 37 C5' G A 2 -9.704 -6.168 -4.437 1.00 0.00 C ATOM 38 C4' G A 2 -9.770 -6.746 -3.026 1.00 0.00 C ATOM 39 O4' G A 2 -8.831 -7.812 -2.857 1.00 0.00 O ATOM 40 C3' G A 2 -9.397 -5.699 -1.989 1.00 0.00 C ATOM 41 O3' G A 2 -10.597 -5.077 -1.523 1.00 0.00 O ATOM 42 C2' G A 2 -8.816 -6.528 -0.860 1.00 0.00 C ATOM 43 O2' G A 2 -9.840 -7.023 0.012 1.00 0.00 O ATOM 44 C1' G A 2 -8.128 -7.660 -1.613 1.00 0.00 C ATOM 45 N9 G A 2 -6.706 -7.348 -1.843 1.00 0.00 N ATOM 46 C8 G A 2 -6.083 -6.916 -2.966 1.00 0.00 C ATOM 47 N7 G A 2 -4.810 -6.708 -2.902 1.00 0.00 N ATOM 48 C5 G A 2 -4.535 -7.039 -1.572 1.00 0.00 C ATOM 49 C6 G A 2 -3.303 -7.022 -0.864 1.00 0.00 C ATOM 50 O6 G A 2 -2.190 -6.706 -1.278 1.00 0.00 O ATOM 51 N1 G A 2 -3.469 -7.429 0.455 1.00 0.00 N ATOM 52 C2 G A 2 -4.665 -7.806 1.027 1.00 0.00 C ATOM 53 N2 G A 2 -4.617 -8.165 2.310 1.00 0.00 N ATOM 54 N3 G A 2 -5.828 -7.825 0.370 1.00 0.00 N ATOM 55 C4 G A 2 -5.692 -7.432 -0.917 1.00 0.00 C ATOM 0 H5' G A 2 -9.935 -6.949 -5.162 1.00 0.00 H new ATOM 0 H5'' G A 2 -10.463 -5.394 -4.549 1.00 0.00 H new ATOM 0 H4' G A 2 -10.794 -7.095 -2.891 1.00 0.00 H new ATOM 0 H3' G A 2 -8.722 -4.929 -2.363 1.00 0.00 H new ATOM 0 H2' G A 2 -8.147 -5.967 -0.207 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.642 -6.467 -0.077 1.00 0.00 H new ATOM 0 H1' G A 2 -8.154 -8.585 -1.038 1.00 0.00 H new ATOM 0 H8 G A 2 -6.631 -6.752 -3.882 1.00 0.00 H new ATOM 0 H1 G A 2 -2.639 -7.450 1.047 1.00 0.00 H new ATOM 0 H21 G A 2 -5.469 -8.454 2.791 1.00 0.00 H new ATOM 0 H22 G A 2 -3.729 -8.150 2.811 1.00 0.00 H new ATOM 67 P U A 3 -10.688 -3.475 -1.395 1.00 0.00 P ATOM 68 OP1 U A 3 -12.114 -3.100 -1.260 1.00 0.00 O ATOM 69 OP2 U A 3 -9.866 -2.877 -2.471 1.00 0.00 O ATOM 70 O5' U A 3 -9.958 -3.194 0.013 1.00 0.00 O ATOM 71 C5' U A 3 -10.652 -3.415 1.243 1.00 0.00 C ATOM 72 C4' U A 3 -9.692 -3.482 2.428 1.00 0.00 C ATOM 73 O4' U A 3 -8.630 -4.406 2.194 1.00 0.00 O ATOM 74 C3' U A 3 -9.008 -2.148 2.656 1.00 0.00 C ATOM 75 O3' U A 3 -9.816 -1.364 3.537 1.00 0.00 O ATOM 76 C2' U A 3 -7.738 -2.545 3.391 1.00 0.00 C ATOM 77 O2' U A 3 -7.953 -2.615 4.806 1.00 0.00 O ATOM 78 C1' U A 3 -7.422 -3.923 2.806 1.00 0.00 C ATOM 79 N1 U A 3 -6.328 -3.831 1.823 1.00 0.00 N ATOM 80 C2 U A 3 -5.037 -3.774 2.312 1.00 0.00 C ATOM 81 O2 U A 3 -4.792 -3.803 3.516 1.00 0.00 O ATOM 82 N3 U A 3 -4.032 -3.680 1.366 1.00 0.00 N ATOM 83 C4 U A 3 -4.205 -3.639 -0.007 1.00 0.00 C ATOM 84 O4 U A 3 -3.236 -3.554 -0.758 1.00 0.00 O ATOM 85 C5 U A 3 -5.587 -3.705 -0.428 1.00 0.00 C ATOM 86 C6 U A 3 -6.587 -3.798 0.481 1.00 0.00 C ATOM 0 H5' U A 3 -11.218 -4.345 1.180 1.00 0.00 H new ATOM 0 H5'' U A 3 -11.373 -2.613 1.403 1.00 0.00 H new ATOM 0 H4' U A 3 -10.303 -3.780 3.280 1.00 0.00 H new ATOM 0 H3' U A 3 -8.834 -1.578 1.743 1.00 0.00 H new ATOM 0 H2' U A 3 -6.927 -1.828 3.264 1.00 0.00 H new ATOM 0 HO2' U A 3 -8.848 -2.276 5.018 1.00 0.00 H new ATOM 0 H1' U A 3 -7.089 -4.610 3.584 1.00 0.00 H new ATOM 0 H3 U A 3 -3.074 -3.637 1.713 1.00 0.00 H new ATOM 0 H5 U A 3 -5.825 -3.680 -1.481 1.00 0.00 H new ATOM 0 H6 U A 3 -7.610 -3.847 0.139 1.00 0.00 H new ATOM 97 P U A 4 -9.780 0.243 3.455 1.00 0.00 P ATOM 98 OP1 U A 4 -10.758 0.780 4.426 1.00 0.00 O ATOM 99 OP2 U A 4 -9.861 0.636 2.031 1.00 0.00 O ATOM 100 O5' U A 4 -8.300 0.588 3.990 1.00 0.00 O ATOM 101 C5' U A 4 -8.023 0.587 5.392 1.00 0.00 C ATOM 102 C4' U A 4 -6.526 0.685 5.673 1.00 0.00 C ATOM 103 O4' U A 4 -5.774 -0.196 4.846 1.00 0.00 O ATOM 104 C3' U A 4 -5.990 2.062 5.345 1.00 0.00 C ATOM 105 O3' U A 4 -6.149 2.902 6.491 1.00 0.00 O ATOM 106 C2' U A 4 -4.505 1.805 5.139 1.00 0.00 C ATOM 107 O2' U A 4 -3.775 1.959 6.362 1.00 0.00 O ATOM 108 C1' U A 4 -4.463 0.356 4.643 1.00 0.00 C ATOM 109 N1 U A 4 -4.073 0.306 3.221 1.00 0.00 N ATOM 110 C2 U A 4 -2.727 0.418 2.934 1.00 0.00 C ATOM 111 O2 U A 4 -1.880 0.540 3.816 1.00 0.00 O ATOM 112 N3 U A 4 -2.385 0.387 1.595 1.00 0.00 N ATOM 113 C4 U A 4 -3.260 0.253 0.532 1.00 0.00 C ATOM 114 O4 U A 4 -2.841 0.238 -0.626 1.00 0.00 O ATOM 115 C5 U A 4 -4.649 0.141 0.923 1.00 0.00 C ATOM 116 C6 U A 4 -5.007 0.169 2.231 1.00 0.00 C ATOM 0 H5' U A 4 -8.418 -0.325 5.840 1.00 0.00 H new ATOM 0 H5'' U A 4 -8.537 1.424 5.865 1.00 0.00 H new ATOM 0 H4' U A 4 -6.420 0.441 6.730 1.00 0.00 H new ATOM 0 H3' U A 4 -6.482 2.535 4.495 1.00 0.00 H new ATOM 0 H2' U A 4 -4.045 2.506 4.442 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.355 2.364 7.040 1.00 0.00 H new ATOM 0 H1' U A 4 -3.721 -0.224 5.191 1.00 0.00 H new ATOM 0 H3 U A 4 -1.394 0.471 1.369 1.00 0.00 H new ATOM 0 H5 U A 4 -5.410 0.034 0.164 1.00 0.00 H new ATOM 0 H6 U A 4 -6.050 0.081 2.496 1.00 0.00 H new ATOM 127 P C A 5 -6.216 4.503 6.322 1.00 0.00 P ATOM 128 OP1 C A 5 -6.428 5.101 7.659 1.00 0.00 O ATOM 129 OP2 C A 5 -7.152 4.813 5.219 1.00 0.00 O ATOM 130 O5' C A 5 -4.725 4.869 5.836 1.00 0.00 O ATOM 131 C5' C A 5 -3.707 5.164 6.794 1.00 0.00 C ATOM 132 C4' C A 5 -2.368 5.464 6.126 1.00 0.00 C ATOM 133 O4' C A 5 -2.022 4.476 5.166 1.00 0.00 O ATOM 134 C3' C A 5 -2.419 6.756 5.333 1.00 0.00 C ATOM 135 O3' C A 5 -2.037 7.833 6.193 1.00 0.00 O ATOM 136 C2' C A 5 -1.326 6.575 4.282 1.00 0.00 C ATOM 137 O2' C A 5 -0.128 7.263 4.656 1.00 0.00 O ATOM 138 C1' C A 5 -1.104 5.058 4.235 1.00 0.00 C ATOM 139 N1 C A 5 -1.314 4.541 2.869 1.00 0.00 N ATOM 140 C2 C A 5 -0.217 4.526 2.026 1.00 0.00 C ATOM 141 O2 C A 5 0.878 4.909 2.435 1.00 0.00 O ATOM 142 N3 C A 5 -0.386 4.082 0.753 1.00 0.00 N ATOM 143 C4 C A 5 -1.582 3.668 0.319 1.00 0.00 C ATOM 144 N4 C A 5 -1.709 3.243 -0.940 1.00 0.00 N ATOM 145 C5 C A 5 -2.721 3.678 1.187 1.00 0.00 C ATOM 146 C6 C A 5 -2.544 4.121 2.448 1.00 0.00 C ATOM 0 H5' C A 5 -3.593 4.320 7.474 1.00 0.00 H new ATOM 0 H5'' C A 5 -4.012 6.020 7.396 1.00 0.00 H new ATOM 0 H4' C A 5 -1.650 5.507 6.945 1.00 0.00 H new ATOM 0 H3' C A 5 -3.402 6.966 4.911 1.00 0.00 H new ATOM 0 H2' C A 5 -1.607 6.986 3.312 1.00 0.00 H new ATOM 0 HO2' C A 5 -0.233 8.221 4.480 1.00 0.00 H new ATOM 0 H1' C A 5 -0.079 4.802 4.505 1.00 0.00 H new ATOM 0 H41 C A 5 -2.616 2.925 -1.282 1.00 0.00 H new ATOM 0 H42 C A 5 -0.899 3.236 -1.560 1.00 0.00 H new ATOM 0 H5 C A 5 -3.688 3.342 0.843 1.00 0.00 H new ATOM 0 H6 C A 5 -3.381 4.144 3.130 1.00 0.00 H new ATOM 158 P A A 6 -2.153 9.358 5.688 1.00 0.00 P ATOM 159 OP1 A A 6 -1.640 10.241 6.759 1.00 0.00 O ATOM 160 OP2 A A 6 -3.518 9.566 5.152 1.00 0.00 O ATOM 161 O5' A A 6 -1.115 9.403 4.457 1.00 0.00 O ATOM 162 C5' A A 6 -1.575 9.634 3.122 1.00 0.00 C ATOM 163 C4' A A 6 -0.475 9.367 2.098 1.00 0.00 C ATOM 164 O4' A A 6 -0.406 7.980 1.764 1.00 0.00 O ATOM 165 C3' A A 6 -0.750 10.096 0.793 1.00 0.00 C ATOM 166 O3' A A 6 -0.052 11.345 0.824 1.00 0.00 O ATOM 167 C2' A A 6 -0.095 9.212 -0.254 1.00 0.00 C ATOM 168 O2' A A 6 1.271 9.584 -0.467 1.00 0.00 O ATOM 169 C1' A A 6 -0.202 7.815 0.352 1.00 0.00 C ATOM 170 N9 A A 6 -1.314 7.058 -0.255 1.00 0.00 N ATOM 171 C8 A A 6 -2.458 6.599 0.308 1.00 0.00 C ATOM 172 N7 A A 6 -3.271 5.938 -0.445 1.00 0.00 N ATOM 173 C5 A A 6 -2.594 5.952 -1.669 1.00 0.00 C ATOM 174 C6 A A 6 -2.900 5.420 -2.928 1.00 0.00 C ATOM 175 N6 A A 6 -4.017 4.737 -3.180 1.00 0.00 N ATOM 176 N1 A A 6 -2.010 5.619 -3.916 1.00 0.00 N ATOM 177 C2 A A 6 -0.884 6.298 -3.685 1.00 0.00 C ATOM 178 N3 A A 6 -0.496 6.843 -2.536 1.00 0.00 N ATOM 179 C4 A A 6 -1.403 6.631 -1.562 1.00 0.00 C ATOM 0 H5' A A 6 -1.919 10.664 3.028 1.00 0.00 H new ATOM 0 H5'' A A 6 -2.431 8.992 2.914 1.00 0.00 H new ATOM 0 H4' A A 6 0.452 9.711 2.556 1.00 0.00 H new ATOM 0 H3' A A 6 -1.809 10.278 0.609 1.00 0.00 H new ATOM 0 H2' A A 6 -0.568 9.289 -1.233 1.00 0.00 H new ATOM 0 HO2' A A 6 1.421 10.490 -0.124 1.00 0.00 H new ATOM 0 H1' A A 6 0.707 7.245 0.159 1.00 0.00 H new ATOM 0 H8 A A 6 -2.681 6.780 1.349 1.00 0.00 H new ATOM 0 H61 A A 6 -4.191 4.371 -4.116 1.00 0.00 H new ATOM 0 H62 A A 6 -4.698 4.581 -2.437 1.00 0.00 H new ATOM 0 H2 A A 6 -0.214 6.418 -4.524 1.00 0.00 H new ATOM 191 P G A 7 -0.442 12.531 -0.193 1.00 0.00 P ATOM 192 OP1 G A 7 0.731 13.420 -0.337 1.00 0.00 O ATOM 193 OP2 G A 7 -1.744 13.093 0.228 1.00 0.00 O ATOM 194 O5' G A 7 -0.654 11.748 -1.584 1.00 0.00 O ATOM 195 C5' G A 7 0.378 11.738 -2.573 1.00 0.00 C ATOM 196 C4' G A 7 -0.075 11.041 -3.850 1.00 0.00 C ATOM 197 O4' G A 7 -0.782 9.832 -3.549 1.00 0.00 O ATOM 198 C3' G A 7 -1.038 11.927 -4.645 1.00 0.00 C ATOM 199 O3' G A 7 -0.627 11.912 -6.014 1.00 0.00 O ATOM 200 C2' G A 7 -2.383 11.217 -4.548 1.00 0.00 C ATOM 201 O2' G A 7 -3.145 11.373 -5.751 1.00 0.00 O ATOM 202 C1' G A 7 -1.973 9.773 -4.330 1.00 0.00 C ATOM 203 N9 G A 7 -3.032 9.013 -3.639 1.00 0.00 N ATOM 204 C8 G A 7 -3.648 7.866 -4.012 1.00 0.00 C ATOM 205 N7 G A 7 -4.562 7.394 -3.233 1.00 0.00 N ATOM 206 C5 G A 7 -4.570 8.336 -2.200 1.00 0.00 C ATOM 207 C6 G A 7 -5.364 8.387 -1.023 1.00 0.00 C ATOM 208 O6 G A 7 -6.232 7.599 -0.653 1.00 0.00 O ATOM 209 N1 G A 7 -5.057 9.499 -0.249 1.00 0.00 N ATOM 210 C2 G A 7 -4.105 10.447 -0.563 1.00 0.00 C ATOM 211 N2 G A 7 -3.957 11.443 0.310 1.00 0.00 N ATOM 212 N3 G A 7 -3.353 10.407 -1.669 1.00 0.00 N ATOM 213 C4 G A 7 -3.634 9.331 -2.440 1.00 0.00 C ATOM 0 H5' G A 7 1.259 11.234 -2.175 1.00 0.00 H new ATOM 0 H5'' G A 7 0.673 12.762 -2.802 1.00 0.00 H new ATOM 0 H4' G A 7 0.826 10.831 -4.427 1.00 0.00 H new ATOM 0 H3' G A 7 -1.071 12.954 -4.280 1.00 0.00 H new ATOM 0 H2' G A 7 -3.027 11.608 -3.760 1.00 0.00 H new ATOM 0 HO2' G A 7 -3.000 12.271 -6.116 1.00 0.00 H new ATOM 0 H1' G A 7 -1.808 9.255 -5.275 1.00 0.00 H new ATOM 0 H8 G A 7 -3.383 7.363 -4.930 1.00 0.00 H new ATOM 0 H1 G A 7 -5.576 9.625 0.620 1.00 0.00 H new ATOM 0 H21 G A 7 -3.269 12.176 0.136 1.00 0.00 H new ATOM 0 H22 G A 7 -4.531 11.472 1.152 1.00 0.00 H new ATOM 225 P A A 8 -0.796 13.224 -6.932 1.00 0.00 P ATOM 226 OP1 A A 8 0.426 14.047 -6.791 1.00 0.00 O ATOM 227 OP2 A A 8 -2.122 13.818 -6.650 1.00 0.00 O ATOM 228 O5' A A 8 -0.824 12.613 -8.424 1.00 0.00 O ATOM 229 C5' A A 8 -1.249 11.267 -8.658 1.00 0.00 C ATOM 230 C4' A A 8 -0.141 10.436 -9.302 1.00 0.00 C ATOM 231 O4' A A 8 1.114 11.137 -9.267 1.00 0.00 O ATOM 232 C3' A A 8 0.091 9.127 -8.545 1.00 0.00 C ATOM 233 O3' A A 8 0.523 8.140 -9.485 1.00 0.00 O ATOM 234 C2' A A 8 1.263 9.455 -7.647 1.00 0.00 C ATOM 235 O2' A A 8 1.987 8.282 -7.269 1.00 0.00 O ATOM 236 C1' A A 8 2.077 10.348 -8.560 1.00 0.00 C ATOM 237 N9 A A 8 3.020 11.188 -7.800 1.00 0.00 N ATOM 238 C8 A A 8 2.840 11.874 -6.644 1.00 0.00 C ATOM 239 N7 A A 8 3.850 12.531 -6.178 1.00 0.00 N ATOM 240 C5 A A 8 4.832 12.254 -7.136 1.00 0.00 C ATOM 241 C6 A A 8 6.172 12.642 -7.264 1.00 0.00 C ATOM 242 N6 A A 8 6.791 13.428 -6.383 1.00 0.00 N ATOM 243 N1 A A 8 6.850 12.188 -8.333 1.00 0.00 N ATOM 244 C2 A A 8 6.250 11.398 -9.227 1.00 0.00 C ATOM 245 N3 A A 8 4.992 10.971 -9.203 1.00 0.00 N ATOM 246 C4 A A 8 4.334 11.439 -8.125 1.00 0.00 C ATOM 0 H5' A A 8 -2.127 11.268 -9.304 1.00 0.00 H new ATOM 0 H5'' A A 8 -1.548 10.809 -7.715 1.00 0.00 H new ATOM 0 H4' A A 8 -0.466 10.245 -10.325 1.00 0.00 H new ATOM 0 H3' A A 8 -0.789 8.764 -8.014 1.00 0.00 H new ATOM 0 H2' A A 8 0.988 9.912 -6.696 1.00 0.00 H new ATOM 0 HO2' A A 8 2.328 7.835 -8.072 1.00 0.00 H new ATOM 0 H1' A A 8 2.699 9.768 -9.242 1.00 0.00 H new ATOM 0 H8 A A 8 1.889 11.871 -6.133 1.00 0.00 H new ATOM 0 H61 A A 8 7.769 13.681 -6.524 1.00 0.00 H new ATOM 0 H62 A A 8 6.286 13.777 -5.568 1.00 0.00 H new ATOM 0 H2 A A 8 6.853 11.070 -10.061 1.00 0.00 H new ATOM 258 P A A 9 0.164 6.586 -9.269 1.00 0.00 P ATOM 259 OP1 A A 9 -0.010 5.962 -10.600 1.00 0.00 O ATOM 260 OP2 A A 9 -0.918 6.495 -8.263 1.00 0.00 O ATOM 261 O5' A A 9 1.517 6.007 -8.613 1.00 0.00 O ATOM 262 C5' A A 9 2.568 5.502 -9.440 1.00 0.00 C ATOM 263 C4' A A 9 3.893 6.231 -9.190 1.00 0.00 C ATOM 264 O4' A A 9 3.667 7.385 -8.377 1.00 0.00 O ATOM 265 C3' A A 9 4.899 5.345 -8.446 1.00 0.00 C ATOM 266 O3' A A 9 5.988 5.071 -9.329 1.00 0.00 O ATOM 267 C2' A A 9 5.465 6.215 -7.329 1.00 0.00 C ATOM 268 O2' A A 9 6.781 6.678 -7.651 1.00 0.00 O ATOM 269 C1' A A 9 4.491 7.376 -7.207 1.00 0.00 C ATOM 270 N9 A A 9 3.690 7.249 -5.972 1.00 0.00 N ATOM 271 C8 A A 9 2.586 6.503 -5.718 1.00 0.00 C ATOM 272 N7 A A 9 2.084 6.565 -4.530 1.00 0.00 N ATOM 273 C5 A A 9 2.954 7.460 -3.904 1.00 0.00 C ATOM 274 C6 A A 9 3.005 7.984 -2.607 1.00 0.00 C ATOM 275 N6 A A 9 2.123 7.668 -1.659 1.00 0.00 N ATOM 276 N1 A A 9 3.999 8.844 -2.326 1.00 0.00 N ATOM 277 C2 A A 9 4.892 9.173 -3.261 1.00 0.00 C ATOM 278 N3 A A 9 4.937 8.739 -4.516 1.00 0.00 N ATOM 279 C4 A A 9 3.933 7.880 -4.774 1.00 0.00 C ATOM 0 H5' A A 9 2.288 5.608 -10.488 1.00 0.00 H new ATOM 0 H5'' A A 9 2.699 4.437 -9.251 1.00 0.00 H new ATOM 0 H4' A A 9 4.295 6.501 -10.167 1.00 0.00 H new ATOM 0 H3' A A 9 4.439 4.424 -8.089 1.00 0.00 H new ATOM 0 H2' A A 9 5.564 5.664 -6.394 1.00 0.00 H new ATOM 0 HO2' A A 9 7.022 6.378 -8.552 1.00 0.00 H new ATOM 0 H1' A A 9 5.027 8.323 -7.137 1.00 0.00 H new ATOM 0 H8 A A 9 2.143 5.880 -6.481 1.00 0.00 H new ATOM 0 H61 A A 9 2.205 8.078 -0.729 1.00 0.00 H new ATOM 0 H62 A A 9 1.366 7.016 -1.864 1.00 0.00 H new ATOM 0 H2 A A 9 5.663 9.869 -2.965 1.00 0.00 H new ATOM 291 P G A 10 6.937 3.794 -9.074 1.00 0.00 P ATOM 292 OP1 G A 10 8.279 4.101 -9.618 1.00 0.00 O ATOM 293 OP2 G A 10 6.217 2.584 -9.527 1.00 0.00 O ATOM 294 O5' G A 10 7.043 3.746 -7.466 1.00 0.00 O ATOM 295 C5' G A 10 8.308 3.909 -6.819 1.00 0.00 C ATOM 296 C4' G A 10 8.157 4.099 -5.310 1.00 0.00 C ATOM 297 O4' G A 10 7.041 4.932 -4.988 1.00 0.00 O ATOM 298 C3' G A 10 7.875 2.786 -4.605 1.00 0.00 C ATOM 299 O3' G A 10 9.119 2.158 -4.286 1.00 0.00 O ATOM 300 C2' G A 10 7.223 3.247 -3.314 1.00 0.00 C ATOM 301 O2' G A 10 8.201 3.586 -2.326 1.00 0.00 O ATOM 302 C1' G A 10 6.434 4.477 -3.765 1.00 0.00 C ATOM 303 N9 G A 10 5.011 4.132 -3.961 1.00 0.00 N ATOM 304 C8 G A 10 4.368 3.704 -5.075 1.00 0.00 C ATOM 305 N7 G A 10 3.108 3.438 -4.975 1.00 0.00 N ATOM 306 C5 G A 10 2.863 3.723 -3.628 1.00 0.00 C ATOM 307 C6 G A 10 1.655 3.634 -2.881 1.00 0.00 C ATOM 308 O6 G A 10 0.540 3.278 -3.263 1.00 0.00 O ATOM 309 N1 G A 10 1.846 4.012 -1.560 1.00 0.00 N ATOM 310 C2 G A 10 3.043 4.426 -1.015 1.00 0.00 C ATOM 311 N2 G A 10 3.019 4.748 0.278 1.00 0.00 N ATOM 312 N3 G A 10 4.184 4.513 -1.708 1.00 0.00 N ATOM 313 C4 G A 10 4.025 4.150 -3.000 1.00 0.00 C ATOM 0 H5' G A 10 8.824 4.770 -7.243 1.00 0.00 H new ATOM 0 H5'' G A 10 8.931 3.036 -7.014 1.00 0.00 H new ATOM 0 H4' G A 10 9.100 4.541 -4.987 1.00 0.00 H new ATOM 0 H3' G A 10 7.275 2.087 -5.188 1.00 0.00 H new ATOM 0 H2' G A 10 6.605 2.483 -2.843 1.00 0.00 H new ATOM 0 HO2' G A 10 9.067 3.203 -2.578 1.00 0.00 H new ATOM 0 H1' G A 10 6.462 5.266 -3.013 1.00 0.00 H new ATOM 0 H8 G A 10 4.891 3.589 -6.013 1.00 0.00 H new ATOM 0 H1 G A 10 1.035 3.981 -0.942 1.00 0.00 H new ATOM 0 H21 G A 10 3.872 5.062 0.741 1.00 0.00 H new ATOM 0 H22 G A 10 2.148 4.681 0.804 1.00 0.00 H new ATOM 325 P A A 11 9.183 0.572 -4.007 1.00 0.00 P ATOM 326 OP1 A A 11 10.577 0.220 -3.656 1.00 0.00 O ATOM 327 OP2 A A 11 8.506 -0.122 -5.125 1.00 0.00 O ATOM 328 O5' A A 11 8.274 0.408 -2.688 1.00 0.00 O ATOM 329 C5' A A 11 8.857 0.530 -1.387 1.00 0.00 C ATOM 330 C4' A A 11 7.795 0.590 -0.290 1.00 0.00 C ATOM 331 O4' A A 11 6.671 1.367 -0.679 1.00 0.00 O ATOM 332 C3' A A 11 7.217 -0.781 0.004 1.00 0.00 C ATOM 333 O3' A A 11 8.030 -1.417 0.994 1.00 0.00 O ATOM 334 C2' A A 11 5.864 -0.458 0.629 1.00 0.00 C ATOM 335 O2' A A 11 5.940 -0.442 2.059 1.00 0.00 O ATOM 336 C1' A A 11 5.530 0.932 0.073 1.00 0.00 C ATOM 337 N9 A A 11 4.317 0.870 -0.765 1.00 0.00 N ATOM 338 C8 A A 11 4.189 0.835 -2.115 1.00 0.00 C ATOM 339 N7 A A 11 2.993 0.746 -2.598 1.00 0.00 N ATOM 340 C5 A A 11 2.220 0.719 -1.431 1.00 0.00 C ATOM 341 C6 A A 11 0.840 0.631 -1.205 1.00 0.00 C ATOM 342 N6 A A 11 -0.062 0.550 -2.184 1.00 0.00 N ATOM 343 N1 A A 11 0.423 0.630 0.072 1.00 0.00 N ATOM 344 C2 A A 11 1.302 0.710 1.072 1.00 0.00 C ATOM 345 N3 A A 11 2.624 0.796 0.973 1.00 0.00 N ATOM 346 C4 A A 11 3.020 0.795 -0.315 1.00 0.00 C ATOM 0 H5' A A 11 9.471 1.430 -1.347 1.00 0.00 H new ATOM 0 H5'' A A 11 9.519 -0.316 -1.205 1.00 0.00 H new ATOM 0 H4' A A 11 8.310 1.017 0.571 1.00 0.00 H new ATOM 0 H3' A A 11 7.157 -1.428 -0.871 1.00 0.00 H new ATOM 0 H2' A A 11 5.103 -1.201 0.391 1.00 0.00 H new ATOM 0 HO2' A A 11 6.762 -0.890 2.348 1.00 0.00 H new ATOM 0 H1' A A 11 5.320 1.640 0.874 1.00 0.00 H new ATOM 0 H8 A A 11 5.053 0.880 -2.762 1.00 0.00 H new ATOM 0 H61 A A 11 -1.055 0.488 -1.959 1.00 0.00 H new ATOM 0 H62 A A 11 0.241 0.550 -3.158 1.00 0.00 H new ATOM 0 H2 A A 11 0.894 0.704 2.072 1.00 0.00 H new ATOM 358 P A A 12 8.055 -3.023 1.115 1.00 0.00 P ATOM 359 OP1 A A 12 9.354 -3.422 1.701 1.00 0.00 O ATOM 360 OP2 A A 12 7.625 -3.594 -0.180 1.00 0.00 O ATOM 361 O5' A A 12 6.902 -3.311 2.202 1.00 0.00 O ATOM 362 C5' A A 12 7.218 -3.356 3.595 1.00 0.00 C ATOM 363 C4' A A 12 5.969 -3.524 4.456 1.00 0.00 C ATOM 364 O4' A A 12 4.959 -2.572 4.113 1.00 0.00 O ATOM 365 C3' A A 12 5.327 -4.880 4.235 1.00 0.00 C ATOM 366 O3' A A 12 5.902 -5.810 5.156 1.00 0.00 O ATOM 367 C2' A A 12 3.884 -4.632 4.633 1.00 0.00 C ATOM 368 O2' A A 12 3.697 -4.777 6.046 1.00 0.00 O ATOM 369 C1' A A 12 3.661 -3.189 4.185 1.00 0.00 C ATOM 370 N9 A A 12 2.980 -3.146 2.877 1.00 0.00 N ATOM 371 C8 A A 12 3.504 -3.020 1.634 1.00 0.00 C ATOM 372 N7 A A 12 2.682 -3.015 0.637 1.00 0.00 N ATOM 373 C5 A A 12 1.451 -3.155 1.287 1.00 0.00 C ATOM 374 C6 A A 12 0.134 -3.225 0.819 1.00 0.00 C ATOM 375 N6 A A 12 -0.185 -3.160 -0.474 1.00 0.00 N ATOM 376 N1 A A 12 -0.841 -3.365 1.734 1.00 0.00 N ATOM 377 C2 A A 12 -0.544 -3.431 3.033 1.00 0.00 C ATOM 378 N3 A A 12 0.665 -3.375 3.584 1.00 0.00 N ATOM 379 C4 A A 12 1.625 -3.236 2.650 1.00 0.00 C ATOM 0 H5' A A 12 7.735 -2.440 3.880 1.00 0.00 H new ATOM 0 H5'' A A 12 7.904 -4.181 3.785 1.00 0.00 H new ATOM 0 H4' A A 12 6.306 -3.396 5.485 1.00 0.00 H new ATOM 0 H3' A A 12 5.447 -5.271 3.225 1.00 0.00 H new ATOM 0 H2' A A 12 3.184 -5.338 4.186 1.00 0.00 H new ATOM 0 HO2' A A 12 4.476 -5.228 6.434 1.00 0.00 H new ATOM 0 H1' A A 12 3.020 -2.657 4.888 1.00 0.00 H new ATOM 0 H8 A A 12 4.569 -2.927 1.482 1.00 0.00 H new ATOM 0 H61 A A 12 -1.162 -3.216 -0.762 1.00 0.00 H new ATOM 0 H62 A A 12 0.548 -3.054 -1.175 1.00 0.00 H new ATOM 0 H2 A A 12 -1.377 -3.542 3.712 1.00 0.00 H new ATOM 391 P C A 13 5.887 -7.388 4.838 1.00 0.00 P ATOM 392 OP1 C A 13 6.633 -8.086 5.910 1.00 0.00 O ATOM 393 OP2 C A 13 6.276 -7.581 3.422 1.00 0.00 O ATOM 394 O5' C A 13 4.328 -7.760 4.986 1.00 0.00 O ATOM 395 C5' C A 13 3.798 -8.161 6.251 1.00 0.00 C ATOM 396 C4' C A 13 2.313 -8.495 6.156 1.00 0.00 C ATOM 397 O4' C A 13 1.583 -7.450 5.513 1.00 0.00 O ATOM 398 C3' C A 13 2.083 -9.727 5.301 1.00 0.00 C ATOM 399 O3' C A 13 2.093 -10.877 6.152 1.00 0.00 O ATOM 400 C2' C A 13 0.669 -9.530 4.782 1.00 0.00 C ATOM 401 O2' C A 13 -0.300 -10.088 5.678 1.00 0.00 O ATOM 402 C1' C A 13 0.539 -8.008 4.698 1.00 0.00 C ATOM 403 N1 C A 13 0.654 -7.551 3.300 1.00 0.00 N ATOM 404 C2 C A 13 -0.515 -7.464 2.562 1.00 0.00 C ATOM 405 O2 C A 13 -1.591 -7.762 3.076 1.00 0.00 O ATOM 406 N3 C A 13 -0.432 -7.046 1.270 1.00 0.00 N ATOM 407 C4 C A 13 0.746 -6.728 0.723 1.00 0.00 C ATOM 408 N4 C A 13 0.788 -6.322 -0.546 1.00 0.00 N ATOM 409 C5 C A 13 1.957 -6.816 1.480 1.00 0.00 C ATOM 410 C6 C A 13 1.865 -7.231 2.759 1.00 0.00 C ATOM 0 H5' C A 13 3.946 -7.363 6.978 1.00 0.00 H new ATOM 0 H5'' C A 13 4.345 -9.030 6.616 1.00 0.00 H new ATOM 0 H4' C A 13 1.978 -8.645 7.182 1.00 0.00 H new ATOM 0 H3' C A 13 2.826 -9.860 4.515 1.00 0.00 H new ATOM 0 H2' C A 13 0.492 -10.027 3.828 1.00 0.00 H new ATOM 0 HO2' C A 13 -0.844 -10.749 5.201 1.00 0.00 H new ATOM 0 H1' C A 13 -0.438 -7.682 5.056 1.00 0.00 H new ATOM 0 H41 C A 13 1.681 -6.077 -0.974 1.00 0.00 H new ATOM 0 H42 C A 13 -0.073 -6.257 -1.089 1.00 0.00 H new ATOM 0 H5 C A 13 2.910 -6.559 1.042 1.00 0.00 H new ATOM 0 H6 C A 13 2.758 -7.311 3.361 1.00 0.00 H new ATOM 422 P C A 14 2.587 -12.303 5.589 1.00 0.00 P ATOM 423 OP1 C A 14 2.840 -13.195 6.744 1.00 0.00 O ATOM 424 OP2 C A 14 3.657 -12.063 4.595 1.00 0.00 O ATOM 425 O5' C A 14 1.286 -12.843 4.810 1.00 0.00 O ATOM 426 C5' C A 14 0.202 -13.433 5.533 1.00 0.00 C ATOM 427 C4' C A 14 -1.106 -13.352 4.751 1.00 0.00 C ATOM 428 O4' C A 14 -1.244 -12.093 4.096 1.00 0.00 O ATOM 429 C3' C A 14 -1.147 -14.390 3.645 1.00 0.00 C ATOM 430 O3' C A 14 -1.611 -15.656 4.129 1.00 0.00 O ATOM 431 C2' C A 14 -2.131 -13.774 2.665 1.00 0.00 C ATOM 432 O2' C A 14 -3.481 -14.122 2.993 1.00 0.00 O ATOM 433 C1' C A 14 -1.888 -12.274 2.826 1.00 0.00 C ATOM 434 N1 C A 14 -1.051 -11.756 1.728 1.00 0.00 N ATOM 435 C2 C A 14 -1.690 -11.402 0.551 1.00 0.00 C ATOM 436 O2 C A 14 -2.910 -11.525 0.453 1.00 0.00 O ATOM 437 N3 C A 14 -0.936 -10.921 -0.475 1.00 0.00 N ATOM 438 C4 C A 14 0.391 -10.793 -0.351 1.00 0.00 C ATOM 439 N4 C A 14 1.100 -10.318 -1.376 1.00 0.00 N ATOM 440 C5 C A 14 1.057 -11.158 0.862 1.00 0.00 C ATOM 441 C6 C A 14 0.300 -11.633 1.871 1.00 0.00 C ATOM 0 H5' C A 14 0.085 -12.927 6.491 1.00 0.00 H new ATOM 0 H5'' C A 14 0.433 -14.476 5.749 1.00 0.00 H new ATOM 0 H4' C A 14 -1.899 -13.510 5.482 1.00 0.00 H new ATOM 0 H3' C A 14 -0.171 -14.603 3.209 1.00 0.00 H new ATOM 0 H2' C A 14 -1.989 -14.122 1.642 1.00 0.00 H new ATOM 0 HO2' C A 14 -3.482 -14.892 3.599 1.00 0.00 H new ATOM 0 HO3' C A 14 -1.627 -16.302 3.392 1.00 0.00 H new ATOM 0 H1' C A 14 -2.827 -11.722 2.788 1.00 0.00 H new ATOM 0 H41 C A 14 2.111 -10.216 -1.293 1.00 0.00 H new ATOM 0 H42 C A 14 0.631 -10.057 -2.243 1.00 0.00 H new ATOM 0 H5 C A 14 2.127 -11.057 0.965 1.00 0.00 H new ATOM 0 H6 C A 14 0.768 -11.919 2.802 1.00 0.00 H new TER 454 C A 14