USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 153 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 -25:sc= 0.118 USER MOD Single : A 2 G O2' : rot -18:sc= 0.0645 USER MOD Single : A 3 C O2' : rot -86:sc= 1.25 USER MOD Single : A 4 A O2' : rot -26:sc= 0.133 USER MOD Single : A 5 C O2' : rot -19:sc= 0.0849 USER MOD Single : A 6 U O2' : rot 170:sc= 1.29 USER MOD Single : A 7 U O2' : rot -121:sc= 0.343 USER MOD Single : A 8 C O2' : rot 17:sc= 0.202 USER MOD Single : A 9 G O2' : rot -28:sc= 0.227 USER MOD Single : A 10 G O2' : rot -19:sc= 0.0797 USER MOD Single : A 11 U O2' : rot -25:sc= 0.214 USER MOD Single : A 12 G O2' : rot -20:sc= 0.161 USER MOD Single : A 13 C O2' : rot -20:sc= 0.19 USER MOD Single : A 14 C O2' : rot -16:sc= 0.231 USER MOD Single : A 14 C O3' : rot 180:sc= 0.2 USER MOD ----------------------------------------------------------------- ATOM 1 OP3 G A 1 -8.987 -6.342 10.661 1.00 10.00 O ATOM 2 P G A 1 -9.999 -5.198 10.218 1.00 10.00 P ATOM 3 OP1 G A 1 -9.242 -3.932 10.086 1.00 10.00 O ATOM 4 OP2 G A 1 -11.171 -5.251 11.121 1.00 10.00 O ATOM 5 O5' G A 1 -10.450 -5.663 8.766 1.00 10.00 O ATOM 6 C5' G A 1 -11.421 -6.688 8.602 1.00 10.00 C ATOM 7 C4' G A 1 -11.858 -6.777 7.158 1.00 10.00 C ATOM 8 O4' G A 1 -12.716 -5.643 6.847 1.00 10.00 O ATOM 9 C3' G A 1 -10.746 -6.722 6.116 1.00 10.00 C ATOM 10 O3' G A 1 -10.210 -8.020 5.868 1.00 10.00 O ATOM 11 C2' G A 1 -11.481 -6.182 4.897 1.00 10.00 C ATOM 12 O2' G A 1 -12.247 -7.189 4.262 1.00 10.00 O ATOM 13 C1' G A 1 -12.416 -5.164 5.549 1.00 10.00 C ATOM 14 N9 G A 1 -11.843 -3.826 5.658 1.00 10.00 N ATOM 15 C8 G A 1 -11.330 -3.221 6.780 1.00 10.00 C ATOM 16 N7 G A 1 -10.897 -2.009 6.559 1.00 10.00 N ATOM 17 C5 G A 1 -11.139 -1.801 5.209 1.00 10.00 C ATOM 18 C6 G A 1 -10.879 -0.667 4.393 1.00 10.00 C ATOM 19 O6 G A 1 -10.371 0.418 4.723 1.00 10.00 O ATOM 20 N1 G A 1 -11.274 -0.872 3.073 1.00 10.00 N ATOM 21 C2 G A 1 -11.852 -2.032 2.607 1.00 10.00 C ATOM 22 N2 G A 1 -12.160 -2.062 1.300 1.00 10.00 N ATOM 23 N3 G A 1 -12.101 -3.095 3.356 1.00 10.00 N ATOM 24 C4 G A 1 -11.721 -2.912 4.639 1.00 10.00 C ATOM 0 H5' G A 1 -12.283 -6.485 9.237 1.00 10.00 H new ATOM 0 H5'' G A 1 -11.007 -7.644 8.922 1.00 10.00 H new ATOM 0 H4' G A 1 -12.337 -7.754 7.093 1.00 10.00 H new ATOM 0 H3' G A 1 -9.890 -6.116 6.414 1.00 10.00 H new ATOM 0 H2' G A 1 -10.818 -5.787 4.127 1.00 10.00 H new ATOM 0 HO2' G A 1 -11.863 -8.068 4.463 1.00 10.00 H new ATOM 0 H1' G A 1 -13.300 -5.066 4.919 1.00 10.00 H new ATOM 0 H8 G A 1 -11.289 -3.700 7.747 1.00 10.00 H new ATOM 0 H1 G A 1 -11.125 -0.113 2.408 1.00 10.00 H new ATOM 0 H21 G A 1 -12.590 -2.894 0.896 1.00 10.00 H new ATOM 0 H22 G A 1 -11.964 -1.253 0.711 1.00 10.00 H new ATOM 37 P G A 2 -8.682 -8.196 5.400 1.00 10.00 P ATOM 38 OP1 G A 2 -8.377 -9.647 5.388 1.00 10.00 O ATOM 39 OP2 G A 2 -7.844 -7.291 6.220 1.00 10.00 O ATOM 40 O5' G A 2 -8.663 -7.682 3.893 1.00 10.00 O ATOM 41 C5' G A 2 -9.230 -8.485 2.861 1.00 10.00 C ATOM 42 C4' G A 2 -9.414 -7.694 1.588 1.00 10.00 C ATOM 43 O4' G A 2 -10.060 -6.431 1.894 1.00 10.00 O ATOM 44 C3' G A 2 -8.141 -7.281 0.862 1.00 10.00 C ATOM 45 O3' G A 2 -7.615 -8.345 0.073 1.00 10.00 O ATOM 46 C2' G A 2 -8.654 -6.127 0.009 1.00 10.00 C ATOM 47 O2' G A 2 -9.408 -6.592 -1.095 1.00 10.00 O ATOM 48 C1' G A 2 -9.578 -5.433 1.011 1.00 10.00 C ATOM 49 N9 G A 2 -8.921 -4.399 1.805 1.00 10.00 N ATOM 50 C8 G A 2 -8.583 -4.462 3.136 1.00 10.00 C ATOM 51 N7 G A 2 -8.048 -3.358 3.584 1.00 10.00 N ATOM 52 C5 G A 2 -8.030 -2.513 2.482 1.00 10.00 C ATOM 53 C6 G A 2 -7.564 -1.175 2.353 1.00 10.00 C ATOM 54 O6 G A 2 -7.068 -0.442 3.222 1.00 10.00 O ATOM 55 N1 G A 2 -7.731 -0.689 1.060 1.00 10.00 N ATOM 56 C2 G A 2 -8.279 -1.408 0.023 1.00 10.00 C ATOM 57 N2 G A 2 -8.361 -0.783 -1.159 1.00 10.00 N ATOM 58 N3 G A 2 -8.716 -2.652 0.127 1.00 10.00 N ATOM 59 C4 G A 2 -8.563 -3.140 1.376 1.00 10.00 C ATOM 0 H5' G A 2 -10.192 -8.877 3.190 1.00 10.00 H new ATOM 0 H5'' G A 2 -8.585 -9.342 2.669 1.00 10.00 H new ATOM 0 H4' G A 2 -9.979 -8.375 0.952 1.00 10.00 H new ATOM 0 H3' G A 2 -7.313 -7.012 1.518 1.00 10.00 H new ATOM 0 H2' G A 2 -7.867 -5.506 -0.419 1.00 10.00 H new ATOM 0 HO2' G A 2 -9.211 -7.539 -1.250 1.00 10.00 H new ATOM 0 H1' G A 2 -10.367 -4.936 0.446 1.00 10.00 H new ATOM 0 H8 G A 2 -8.744 -5.336 3.749 1.00 10.00 H new ATOM 0 H1 G A 2 -7.426 0.265 0.868 1.00 10.00 H new ATOM 0 H21 G A 2 -8.758 -1.266 -1.965 1.00 10.00 H new ATOM 0 H22 G A 2 -8.026 0.176 -1.253 1.00 10.00 H new ATOM 71 P C A 3 -6.026 -8.498 -0.136 1.00 10.00 P ATOM 72 OP1 C A 3 -5.762 -9.904 -0.532 1.00 10.00 O ATOM 73 OP2 C A 3 -5.332 -7.948 1.055 1.00 10.00 O ATOM 74 O5' C A 3 -5.700 -7.561 -1.382 1.00 10.00 O ATOM 75 C5' C A 3 -6.302 -7.783 -2.655 1.00 10.00 C ATOM 76 C4' C A 3 -6.085 -6.584 -3.550 1.00 10.00 C ATOM 77 O4' C A 3 -6.614 -5.402 -2.894 1.00 10.00 O ATOM 78 C3' C A 3 -4.632 -6.246 -3.860 1.00 10.00 C ATOM 79 O3' C A 3 -4.181 -6.962 -5.011 1.00 10.00 O ATOM 80 C2' C A 3 -4.674 -4.744 -4.117 1.00 10.00 C ATOM 81 O2' C A 3 -5.001 -4.471 -5.466 1.00 10.00 O ATOM 82 C1' C A 3 -5.825 -4.273 -3.224 1.00 10.00 C ATOM 83 N1 C A 3 -5.401 -3.608 -1.976 1.00 10.00 N ATOM 84 C2 C A 3 -5.069 -2.249 -2.013 1.00 10.00 C ATOM 85 O2 C A 3 -5.052 -1.659 -3.104 1.00 10.00 O ATOM 86 N3 C A 3 -4.764 -1.609 -0.859 1.00 10.00 N ATOM 87 C4 C A 3 -4.784 -2.272 0.300 1.00 10.00 C ATOM 88 N4 C A 3 -4.517 -1.591 1.418 1.00 10.00 N ATOM 89 C5 C A 3 -5.106 -3.656 0.367 1.00 10.00 C ATOM 90 C6 C A 3 -5.400 -4.276 -0.783 1.00 10.00 C ATOM 0 H5' C A 3 -7.369 -7.967 -2.534 1.00 10.00 H new ATOM 0 H5'' C A 3 -5.875 -8.673 -3.117 1.00 10.00 H new ATOM 0 H4' C A 3 -6.580 -6.854 -4.483 1.00 10.00 H new ATOM 0 H3' C A 3 -3.942 -6.518 -3.061 1.00 10.00 H new ATOM 0 H2' C A 3 -3.719 -4.259 -3.915 1.00 10.00 H new ATOM 0 HO2' C A 3 -4.186 -4.489 -6.010 1.00 10.00 H new ATOM 0 H1' C A 3 -6.377 -3.523 -3.791 1.00 10.00 H new ATOM 0 H41 C A 3 -4.524 -2.068 2.320 1.00 10.00 H new ATOM 0 H42 C A 3 -4.306 -0.594 1.370 1.00 10.00 H new ATOM 0 H5 C A 3 -5.113 -4.186 1.308 1.00 10.00 H new ATOM 0 H6 C A 3 -5.642 -5.328 -0.768 1.00 10.00 H new ATOM 102 P A A 4 -2.675 -6.804 -5.551 1.00 10.00 P ATOM 103 OP1 A A 4 -2.426 -7.850 -6.569 1.00 10.00 O ATOM 104 OP2 A A 4 -1.779 -6.720 -4.376 1.00 10.00 O ATOM 105 O5' A A 4 -2.674 -5.390 -6.284 1.00 10.00 O ATOM 106 C5' A A 4 -2.189 -5.246 -7.615 1.00 10.00 C ATOM 107 C4' A A 4 -1.502 -3.910 -7.784 1.00 10.00 C ATOM 108 O4' A A 4 -2.058 -2.942 -6.847 1.00 10.00 O ATOM 109 C3' A A 4 -0.009 -3.897 -7.492 1.00 10.00 C ATOM 110 O3' A A 4 0.738 -4.288 -8.640 1.00 10.00 O ATOM 111 C2' A A 4 0.238 -2.445 -7.122 1.00 10.00 C ATOM 112 O2' A A 4 0.348 -1.641 -8.275 1.00 10.00 O ATOM 113 C1' A A 4 -1.031 -2.090 -6.357 1.00 10.00 C ATOM 114 N9 A A 4 -0.927 -2.274 -4.907 1.00 10.00 N ATOM 115 C8 A A 4 -1.175 -3.415 -4.188 1.00 10.00 C ATOM 116 N7 A A 4 -0.992 -3.285 -2.898 1.00 10.00 N ATOM 117 C5 A A 4 -0.588 -1.966 -2.754 1.00 10.00 C ATOM 118 C6 A A 4 -0.235 -1.208 -1.624 1.00 10.00 C ATOM 119 N6 A A 4 -0.248 -1.689 -0.380 1.00 10.00 N ATOM 120 N1 A A 4 0.122 0.077 -1.819 1.00 10.00 N ATOM 121 C2 A A 4 0.119 0.562 -3.070 1.00 10.00 C ATOM 122 N3 A A 4 -0.192 -0.053 -4.213 1.00 10.00 N ATOM 123 C4 A A 4 -0.540 -1.330 -3.983 1.00 10.00 C ATOM 0 H5' A A 4 -3.015 -5.329 -8.321 1.00 10.00 H new ATOM 0 H5'' A A 4 -1.492 -6.052 -7.844 1.00 10.00 H new ATOM 0 H4' A A 4 -1.664 -3.675 -8.836 1.00 10.00 H new ATOM 0 H3' A A 4 0.296 -4.594 -6.711 1.00 10.00 H new ATOM 0 H2' A A 4 1.159 -2.291 -6.560 1.00 10.00 H new ATOM 0 HO2' A A 4 0.651 -2.189 -9.028 1.00 10.00 H new ATOM 0 H1' A A 4 -1.232 -1.030 -6.515 1.00 10.00 H new ATOM 0 H8 A A 4 -1.493 -4.340 -4.646 1.00 10.00 H new ATOM 0 H61 A A 4 0.019 -1.090 0.401 1.00 10.00 H new ATOM 0 H62 A A 4 -0.525 -2.656 -0.210 1.00 10.00 H new ATOM 0 H2 A A 4 0.410 1.598 -3.166 1.00 10.00 H new ATOM 135 P C A 5 2.209 -4.902 -8.453 1.00 10.00 P ATOM 136 OP1 C A 5 2.775 -5.135 -9.804 1.00 10.00 O ATOM 137 OP2 C A 5 2.133 -6.027 -7.489 1.00 10.00 O ATOM 138 O5' C A 5 3.016 -3.713 -7.775 1.00 10.00 O ATOM 139 C5' C A 5 3.802 -2.820 -8.555 1.00 10.00 C ATOM 140 C4' C A 5 4.026 -1.529 -7.806 1.00 10.00 C ATOM 141 O4' C A 5 2.954 -1.355 -6.848 1.00 10.00 O ATOM 142 C3' C A 5 5.277 -1.463 -6.948 1.00 10.00 C ATOM 143 O3' C A 5 6.413 -1.090 -7.726 1.00 10.00 O ATOM 144 C2' C A 5 4.908 -0.386 -5.932 1.00 10.00 C ATOM 145 O2' C A 5 5.016 0.911 -6.487 1.00 10.00 O ATOM 146 C1' C A 5 3.436 -0.721 -5.680 1.00 10.00 C ATOM 147 N1 C A 5 3.231 -1.594 -4.507 1.00 10.00 N ATOM 148 C2 C A 5 3.458 -1.061 -3.236 1.00 10.00 C ATOM 149 O2 C A 5 3.846 0.115 -3.136 1.00 10.00 O ATOM 150 N3 C A 5 3.256 -1.835 -2.145 1.00 10.00 N ATOM 151 C4 C A 5 2.837 -3.094 -2.284 1.00 10.00 C ATOM 152 N4 C A 5 2.649 -3.812 -1.172 1.00 10.00 N ATOM 153 C5 C A 5 2.597 -3.667 -3.567 1.00 10.00 C ATOM 154 C6 C A 5 2.812 -2.891 -4.640 1.00 10.00 C ATOM 0 H5' C A 5 3.302 -2.617 -9.502 1.00 10.00 H new ATOM 0 H5'' C A 5 4.760 -3.281 -8.793 1.00 10.00 H new ATOM 0 H4' C A 5 4.096 -0.781 -8.596 1.00 10.00 H new ATOM 0 H3' C A 5 5.554 -2.413 -6.491 1.00 10.00 H new ATOM 0 H2' C A 5 5.545 -0.378 -5.048 1.00 10.00 H new ATOM 0 HO2' C A 5 5.581 0.879 -7.287 1.00 10.00 H new ATOM 0 H1' C A 5 2.895 0.200 -5.460 1.00 10.00 H new ATOM 0 H41 C A 5 2.329 -4.778 -1.237 1.00 10.00 H new ATOM 0 H42 C A 5 2.825 -3.393 -0.259 1.00 10.00 H new ATOM 0 H5 C A 5 2.255 -4.686 -3.671 1.00 10.00 H new ATOM 0 H6 C A 5 2.652 -3.297 -5.628 1.00 10.00 H new ATOM 166 P U A 6 7.802 -1.882 -7.573 1.00 10.00 P ATOM 167 OP1 U A 6 8.720 -1.415 -8.637 1.00 10.00 O ATOM 168 OP2 U A 6 7.498 -3.327 -7.467 1.00 10.00 O ATOM 169 O5' U A 6 8.372 -1.405 -6.167 1.00 10.00 O ATOM 170 C5' U A 6 8.781 -0.058 -5.950 1.00 10.00 C ATOM 171 C4' U A 6 9.021 0.174 -4.477 1.00 10.00 C ATOM 172 O4' U A 6 7.787 -0.060 -3.747 1.00 10.00 O ATOM 173 C3' U A 6 10.016 -0.766 -3.813 1.00 10.00 C ATOM 174 O3' U A 6 11.357 -0.335 -4.026 1.00 10.00 O ATOM 175 C2' U A 6 9.611 -0.672 -2.345 1.00 10.00 C ATOM 176 O2' U A 6 10.115 0.500 -1.733 1.00 10.00 O ATOM 177 C1' U A 6 8.087 -0.567 -2.456 1.00 10.00 C ATOM 178 N1 U A 6 7.389 -1.848 -2.263 1.00 10.00 N ATOM 179 C2 U A 6 7.206 -2.295 -0.965 1.00 10.00 C ATOM 180 O2 U A 6 7.600 -1.677 0.009 1.00 10.00 O ATOM 181 N3 U A 6 6.556 -3.499 -0.846 1.00 10.00 N ATOM 182 C4 U A 6 6.077 -4.291 -1.867 1.00 10.00 C ATOM 183 O4 U A 6 5.509 -5.352 -1.599 1.00 10.00 O ATOM 184 C5 U A 6 6.302 -3.764 -3.178 1.00 10.00 C ATOM 185 C6 U A 6 6.932 -2.593 -3.332 1.00 10.00 C ATOM 0 H5' U A 6 8.016 0.627 -6.315 1.00 10.00 H new ATOM 0 H5'' U A 6 9.691 0.150 -6.513 1.00 10.00 H new ATOM 0 H4' U A 6 9.408 1.192 -4.437 1.00 10.00 H new ATOM 0 H3' U A 6 9.993 -1.784 -4.203 1.00 10.00 H new ATOM 0 H2' U A 6 9.983 -1.503 -1.746 1.00 10.00 H new ATOM 0 HO2' U A 6 9.711 0.606 -0.847 1.00 10.00 H new ATOM 0 H1' U A 6 7.738 0.090 -1.659 1.00 10.00 H new ATOM 0 H3 U A 6 6.412 -3.845 0.103 1.00 10.00 H new ATOM 0 H5 U A 6 5.963 -4.312 -4.045 1.00 10.00 H new ATOM 0 H6 U A 6 7.089 -2.216 -4.332 1.00 10.00 H new ATOM 196 P U A 7 12.577 -1.376 -3.926 1.00 10.00 P ATOM 197 OP1 U A 7 13.582 -1.004 -4.950 1.00 10.00 O ATOM 198 OP2 U A 7 12.011 -2.746 -3.931 1.00 10.00 O ATOM 199 O5' U A 7 13.211 -1.106 -2.492 1.00 10.00 O ATOM 200 C5' U A 7 14.481 -1.646 -2.130 1.00 10.00 C ATOM 201 C4' U A 7 15.106 -0.800 -1.047 1.00 10.00 C ATOM 202 O4' U A 7 15.098 0.586 -1.487 1.00 10.00 O ATOM 203 C3' U A 7 14.370 -0.820 0.292 1.00 10.00 C ATOM 204 O3' U A 7 15.271 -0.898 1.393 1.00 10.00 O ATOM 205 C2' U A 7 13.599 0.495 0.317 1.00 10.00 C ATOM 206 O2' U A 7 13.471 0.998 1.631 1.00 10.00 O ATOM 207 C1' U A 7 14.544 1.396 -0.473 1.00 10.00 C ATOM 208 N1 U A 7 13.890 2.553 -1.103 1.00 10.00 N ATOM 209 C2 U A 7 14.289 3.824 -0.717 1.00 10.00 C ATOM 210 O2 U A 7 15.163 4.032 0.107 1.00 10.00 O ATOM 211 N3 U A 7 13.630 4.853 -1.342 1.00 10.00 N ATOM 212 C4 U A 7 12.639 4.749 -2.293 1.00 10.00 C ATOM 213 O4 U A 7 12.139 5.774 -2.761 1.00 10.00 O ATOM 214 C5 U A 7 12.285 3.409 -2.640 1.00 10.00 C ATOM 215 C6 U A 7 12.904 2.379 -2.051 1.00 10.00 C ATOM 0 H5' U A 7 15.135 -1.678 -3.002 1.00 10.00 H new ATOM 0 H5'' U A 7 14.364 -2.672 -1.781 1.00 10.00 H new ATOM 0 H4' U A 7 16.100 -1.219 -0.889 1.00 10.00 H new ATOM 0 H3' U A 7 13.723 -1.693 0.385 1.00 10.00 H new ATOM 0 H2' U A 7 12.584 0.413 -0.072 1.00 10.00 H new ATOM 0 HO2' U A 7 12.521 1.083 1.857 1.00 10.00 H new ATOM 0 H1' U A 7 15.280 1.810 0.217 1.00 10.00 H new ATOM 0 H3 U A 7 13.904 5.798 -1.073 1.00 10.00 H new ATOM 0 H5 U A 7 11.518 3.227 -3.378 1.00 10.00 H new ATOM 0 H6 U A 7 12.621 1.374 -2.328 1.00 10.00 H new ATOM 226 P C A 8 15.217 -2.136 2.415 1.00 10.00 P ATOM 227 OP1 C A 8 15.892 -1.717 3.665 1.00 10.00 O ATOM 228 OP2 C A 8 15.710 -3.333 1.694 1.00 10.00 O ATOM 229 O5' C A 8 13.671 -2.356 2.724 1.00 10.00 O ATOM 230 C5' C A 8 13.076 -1.923 3.945 1.00 10.00 C ATOM 231 C4' C A 8 11.915 -2.820 4.307 1.00 10.00 C ATOM 232 O4' C A 8 10.999 -2.871 3.179 1.00 10.00 O ATOM 233 C3' C A 8 12.278 -4.275 4.603 1.00 10.00 C ATOM 234 O3' C A 8 11.460 -4.819 5.638 1.00 10.00 O ATOM 235 C2' C A 8 12.001 -4.983 3.283 1.00 10.00 C ATOM 236 O2' C A 8 11.669 -6.344 3.471 1.00 10.00 O ATOM 237 C1' C A 8 10.765 -4.218 2.824 1.00 10.00 C ATOM 238 N1 C A 8 10.539 -4.287 1.374 1.00 10.00 N ATOM 239 C2 C A 8 9.518 -5.093 0.857 1.00 10.00 C ATOM 240 O2 C A 8 8.791 -5.726 1.637 1.00 10.00 O ATOM 241 N3 C A 8 9.354 -5.162 -0.489 1.00 10.00 N ATOM 242 C4 C A 8 10.164 -4.468 -1.296 1.00 10.00 C ATOM 243 N4 C A 8 9.974 -4.529 -2.611 1.00 10.00 N ATOM 244 C5 C A 8 11.204 -3.650 -0.793 1.00 10.00 C ATOM 245 C6 C A 8 11.353 -3.584 0.531 1.00 10.00 C ATOM 0 H5' C A 8 12.732 -0.893 3.845 1.00 10.00 H new ATOM 0 H5'' C A 8 13.818 -1.936 4.744 1.00 10.00 H new ATOM 0 H4' C A 8 11.499 -2.385 5.216 1.00 10.00 H new ATOM 0 H3' C A 8 13.306 -4.385 4.950 1.00 10.00 H new ATOM 0 H2' C A 8 12.849 -4.987 2.598 1.00 10.00 H new ATOM 0 HO2' C A 8 11.427 -6.495 4.408 1.00 10.00 H new ATOM 0 H1' C A 8 9.881 -4.653 3.291 1.00 10.00 H new ATOM 0 H41 C A 8 10.584 -4.005 -3.239 1.00 10.00 H new ATOM 0 H42 C A 8 9.219 -5.099 -2.991 1.00 10.00 H new ATOM 0 H5 C A 8 11.853 -3.099 -1.457 1.00 10.00 H new ATOM 0 H6 C A 8 12.133 -2.962 0.945 1.00 10.00 H new ATOM 257 P G A 9 11.946 -4.800 7.169 1.00 10.00 P ATOM 258 OP1 G A 9 13.425 -4.943 7.207 1.00 10.00 O ATOM 259 OP2 G A 9 11.107 -5.768 7.916 1.00 10.00 O ATOM 260 O5' G A 9 11.581 -3.337 7.679 1.00 10.00 O ATOM 261 C5' G A 9 10.228 -2.882 7.757 1.00 10.00 C ATOM 262 C4' G A 9 10.217 -1.387 7.966 1.00 10.00 C ATOM 263 O4' G A 9 11.121 -0.773 7.019 1.00 10.00 O ATOM 264 C3' G A 9 8.900 -0.659 7.735 1.00 10.00 C ATOM 265 O3' G A 9 8.045 -0.743 8.872 1.00 10.00 O ATOM 266 C2' G A 9 9.376 0.773 7.530 1.00 10.00 C ATOM 267 O2' G A 9 9.582 1.413 8.776 1.00 10.00 O ATOM 268 C1' G A 9 10.715 0.566 6.823 1.00 10.00 C ATOM 269 N9 G A 9 10.680 0.847 5.391 1.00 10.00 N ATOM 270 C8 G A 9 11.385 1.841 4.770 1.00 10.00 C ATOM 271 N7 G A 9 11.192 1.896 3.481 1.00 10.00 N ATOM 272 C5 G A 9 10.295 0.867 3.228 1.00 10.00 C ATOM 273 C6 G A 9 9.718 0.436 2.001 1.00 10.00 C ATOM 274 O6 G A 9 9.883 0.901 0.862 1.00 10.00 O ATOM 275 N1 G A 9 8.863 -0.647 2.177 1.00 10.00 N ATOM 276 C2 G A 9 8.594 -1.231 3.393 1.00 10.00 C ATOM 277 N2 G A 9 7.719 -2.249 3.383 1.00 10.00 N ATOM 278 N3 G A 9 9.125 -0.840 4.546 1.00 10.00 N ATOM 279 C4 G A 9 9.964 0.206 4.395 1.00 10.00 C ATOM 0 H5' G A 9 9.711 -3.380 8.578 1.00 10.00 H new ATOM 0 H5'' G A 9 9.693 -3.137 6.842 1.00 10.00 H new ATOM 0 H4' G A 9 10.476 -1.289 9.020 1.00 10.00 H new ATOM 0 H3' G A 9 8.315 -1.067 6.910 1.00 10.00 H new ATOM 0 H2' G A 9 8.669 1.395 6.980 1.00 10.00 H new ATOM 0 HO2' G A 9 8.990 1.017 9.449 1.00 10.00 H new ATOM 0 H1' G A 9 11.418 1.277 7.258 1.00 10.00 H new ATOM 0 H8 G A 9 12.041 2.518 5.298 1.00 10.00 H new ATOM 0 H1 G A 9 8.406 -1.033 1.351 1.00 10.00 H new ATOM 0 H21 G A 9 7.478 -2.723 4.253 1.00 10.00 H new ATOM 0 H22 G A 9 7.295 -2.548 2.505 1.00 10.00 H new ATOM 291 P G A 10 6.474 -0.445 8.719 1.00 10.00 P ATOM 292 OP1 G A 10 6.022 0.270 9.939 1.00 10.00 O ATOM 293 OP2 G A 10 5.823 -1.719 8.338 1.00 10.00 O ATOM 294 O5' G A 10 6.366 0.557 7.485 1.00 10.00 O ATOM 295 C5' G A 10 6.227 1.959 7.696 1.00 10.00 C ATOM 296 C4' G A 10 6.370 2.755 6.416 1.00 10.00 C ATOM 297 O4' G A 10 6.987 1.923 5.397 1.00 10.00 O ATOM 298 C3' G A 10 5.079 3.230 5.759 1.00 10.00 C ATOM 299 O3' G A 10 4.666 4.467 6.331 1.00 10.00 O ATOM 300 C2' G A 10 5.521 3.410 4.314 1.00 10.00 C ATOM 301 O2' G A 10 6.348 4.546 4.174 1.00 10.00 O ATOM 302 C1' G A 10 6.356 2.145 4.146 1.00 10.00 C ATOM 303 N9 G A 10 5.556 0.972 3.818 1.00 10.00 N ATOM 304 C8 G A 10 5.072 0.042 4.699 1.00 10.00 C ATOM 305 N7 G A 10 4.419 -0.930 4.121 1.00 10.00 N ATOM 306 C5 G A 10 4.465 -0.612 2.769 1.00 10.00 C ATOM 307 C6 G A 10 3.927 -1.292 1.643 1.00 10.00 C ATOM 308 O6 G A 10 3.297 -2.358 1.614 1.00 10.00 O ATOM 309 N1 G A 10 4.200 -0.623 0.453 1.00 10.00 N ATOM 310 C2 G A 10 4.906 0.557 0.368 1.00 10.00 C ATOM 311 N2 G A 10 5.063 1.072 -0.859 1.00 10.00 N ATOM 312 N3 G A 10 5.413 1.199 1.406 1.00 10.00 N ATOM 313 C4 G A 10 5.157 0.564 2.568 1.00 10.00 C ATOM 0 H5' G A 10 6.978 2.292 8.413 1.00 10.00 H new ATOM 0 H5'' G A 10 5.252 2.162 8.139 1.00 10.00 H new ATOM 0 H4' G A 10 6.942 3.627 6.734 1.00 10.00 H new ATOM 0 H3' G A 10 4.232 2.555 5.876 1.00 10.00 H new ATOM 0 H2' G A 10 4.709 3.548 3.600 1.00 10.00 H new ATOM 0 HO2' G A 10 6.227 5.136 4.947 1.00 10.00 H new ATOM 0 H1' G A 10 7.056 2.287 3.322 1.00 10.00 H new ATOM 0 H8 G A 10 5.216 0.106 5.767 1.00 10.00 H new ATOM 0 H1 G A 10 3.854 -1.034 -0.414 1.00 10.00 H new ATOM 0 H21 G A 10 5.577 1.944 -0.984 1.00 10.00 H new ATOM 0 H22 G A 10 4.669 0.592 -1.668 1.00 10.00 H new ATOM 325 P U A 11 3.173 5.012 6.124 1.00 10.00 P ATOM 326 OP1 U A 11 3.072 6.322 6.810 1.00 10.00 O ATOM 327 OP2 U A 11 2.246 3.920 6.507 1.00 10.00 O ATOM 328 O5' U A 11 3.039 5.252 4.558 1.00 10.00 O ATOM 329 C5' U A 11 3.513 6.446 3.941 1.00 10.00 C ATOM 330 C4' U A 11 3.157 6.451 2.472 1.00 10.00 C ATOM 331 O4' U A 11 3.487 5.162 1.890 1.00 10.00 O ATOM 332 C3' U A 11 1.680 6.643 2.163 1.00 10.00 C ATOM 333 O3' U A 11 1.357 8.027 2.090 1.00 10.00 O ATOM 334 C2' U A 11 1.526 5.972 0.803 1.00 10.00 C ATOM 335 O2' U A 11 1.871 6.861 -0.240 1.00 10.00 O ATOM 336 C1' U A 11 2.555 4.842 0.873 1.00 10.00 C ATOM 337 N1 U A 11 1.969 3.522 1.158 1.00 10.00 N ATOM 338 C2 U A 11 1.464 2.800 0.088 1.00 10.00 C ATOM 339 O2 U A 11 1.463 3.221 -1.056 1.00 10.00 O ATOM 340 N3 U A 11 0.964 1.562 0.405 1.00 10.00 N ATOM 341 C4 U A 11 0.922 0.976 1.655 1.00 10.00 C ATOM 342 O4 U A 11 0.432 -0.146 1.787 1.00 10.00 O ATOM 343 C5 U A 11 1.459 1.780 2.701 1.00 10.00 C ATOM 344 C6 U A 11 1.945 2.995 2.431 1.00 10.00 C ATOM 0 H5' U A 11 4.594 6.522 4.061 1.00 10.00 H new ATOM 0 H5'' U A 11 3.076 7.316 4.432 1.00 10.00 H new ATOM 0 H4' U A 11 3.717 7.294 2.066 1.00 10.00 H new ATOM 0 H3' U A 11 1.020 6.226 2.923 1.00 10.00 H new ATOM 0 H2' U A 11 0.507 5.641 0.603 1.00 10.00 H new ATOM 0 HO2' U A 11 1.749 7.785 0.064 1.00 10.00 H new ATOM 0 H1' U A 11 3.023 4.765 -0.109 1.00 10.00 H new ATOM 0 H3 U A 11 0.582 1.015 -0.366 1.00 10.00 H new ATOM 0 H5 U A 11 1.473 1.407 3.714 1.00 10.00 H new ATOM 0 H6 U A 11 2.335 3.589 3.244 1.00 10.00 H new ATOM 355 P G A 12 -0.163 8.509 2.263 1.00 10.00 P ATOM 356 OP1 G A 12 -0.179 9.990 2.216 1.00 10.00 O ATOM 357 OP2 G A 12 -0.728 7.816 3.444 1.00 10.00 O ATOM 358 O5' G A 12 -0.899 7.964 0.961 1.00 10.00 O ATOM 359 C5' G A 12 -1.267 8.848 -0.095 1.00 10.00 C ATOM 360 C4' G A 12 -1.843 8.073 -1.258 1.00 10.00 C ATOM 361 O4' G A 12 -1.289 6.731 -1.262 1.00 10.00 O ATOM 362 C3' G A 12 -3.350 7.861 -1.218 1.00 10.00 C ATOM 363 O3' G A 12 -4.040 8.962 -1.800 1.00 10.00 O ATOM 364 C2' G A 12 -3.534 6.595 -2.045 1.00 10.00 C ATOM 365 O2' G A 12 -3.554 6.884 -3.428 1.00 10.00 O ATOM 366 C1' G A 12 -2.268 5.809 -1.703 1.00 10.00 C ATOM 367 N9 G A 12 -2.483 4.811 -0.661 1.00 10.00 N ATOM 368 C8 G A 12 -2.291 4.951 0.693 1.00 10.00 C ATOM 369 N7 G A 12 -2.591 3.875 1.369 1.00 10.00 N ATOM 370 C5 G A 12 -3.009 2.970 0.403 1.00 10.00 C ATOM 371 C6 G A 12 -3.460 1.630 0.533 1.00 10.00 C ATOM 372 O6 G A 12 -3.580 0.957 1.566 1.00 10.00 O ATOM 373 N1 G A 12 -3.786 1.068 -0.699 1.00 10.00 N ATOM 374 C2 G A 12 -3.689 1.727 -1.904 1.00 10.00 C ATOM 375 N2 G A 12 -4.047 1.029 -2.996 1.00 10.00 N ATOM 376 N3 G A 12 -3.270 2.975 -2.040 1.00 10.00 N ATOM 377 C4 G A 12 -2.948 3.532 -0.853 1.00 10.00 C ATOM 0 H5' G A 12 -0.395 9.414 -0.424 1.00 10.00 H new ATOM 0 H5'' G A 12 -1.999 9.571 0.266 1.00 10.00 H new ATOM 0 H4' G A 12 -1.593 8.678 -2.129 1.00 10.00 H new ATOM 0 H3' G A 12 -3.748 7.777 -0.207 1.00 10.00 H new ATOM 0 H2' G A 12 -4.468 6.074 -1.833 1.00 10.00 H new ATOM 0 HO2' G A 12 -3.767 7.831 -3.561 1.00 10.00 H new ATOM 0 H1' G A 12 -1.952 5.272 -2.597 1.00 10.00 H new ATOM 0 H8 G A 12 -1.929 5.859 1.151 1.00 10.00 H new ATOM 0 H1 G A 12 -4.119 0.104 -0.709 1.00 10.00 H new ATOM 0 H21 G A 12 -3.997 1.463 -3.918 1.00 10.00 H new ATOM 0 H22 G A 12 -4.369 0.066 -2.903 1.00 10.00 H new ATOM 389 P C A 13 -5.529 9.317 -1.318 1.00 10.00 P ATOM 390 OP1 C A 13 -5.983 10.516 -2.059 1.00 10.00 O ATOM 391 OP2 C A 13 -5.531 9.341 0.164 1.00 10.00 O ATOM 392 O5' C A 13 -6.397 8.077 -1.807 1.00 10.00 O ATOM 393 C5' C A 13 -6.891 8.029 -3.144 1.00 10.00 C ATOM 394 C4' C A 13 -7.435 6.654 -3.459 1.00 10.00 C ATOM 395 O4' C A 13 -6.617 5.642 -2.821 1.00 10.00 O ATOM 396 C3' C A 13 -8.831 6.360 -2.932 1.00 10.00 C ATOM 397 O3' C A 13 -9.826 6.893 -3.801 1.00 10.00 O ATOM 398 C2' C A 13 -8.861 4.834 -2.911 1.00 10.00 C ATOM 399 O2' C A 13 -9.225 4.311 -4.174 1.00 10.00 O ATOM 400 C1' C A 13 -7.399 4.480 -2.612 1.00 10.00 C ATOM 401 N1 C A 13 -7.175 3.999 -1.237 1.00 10.00 N ATOM 402 C2 C A 13 -7.408 2.650 -0.947 1.00 10.00 C ATOM 403 O2 C A 13 -7.834 1.905 -1.844 1.00 10.00 O ATOM 404 N3 C A 13 -7.176 2.189 0.306 1.00 10.00 N ATOM 405 C4 C A 13 -6.729 3.019 1.249 1.00 10.00 C ATOM 406 N4 C A 13 -6.524 2.525 2.471 1.00 10.00 N ATOM 407 C5 C A 13 -6.485 4.396 0.983 1.00 10.00 C ATOM 408 C6 C A 13 -6.720 4.839 -0.258 1.00 10.00 C ATOM 0 H5' C A 13 -6.092 8.279 -3.842 1.00 10.00 H new ATOM 0 H5'' C A 13 -7.674 8.775 -3.275 1.00 10.00 H new ATOM 0 H4' C A 13 -7.442 6.634 -4.549 1.00 10.00 H new ATOM 0 H3' C A 13 -9.037 6.806 -1.959 1.00 10.00 H new ATOM 0 H2' C A 13 -9.580 4.433 -2.196 1.00 10.00 H new ATOM 0 HO2' C A 13 -9.679 5.005 -4.697 1.00 10.00 H new ATOM 0 H1' C A 13 -7.118 3.663 -3.277 1.00 10.00 H new ATOM 0 H41 C A 13 -6.182 3.132 3.216 1.00 10.00 H new ATOM 0 H42 C A 13 -6.709 1.540 2.660 1.00 10.00 H new ATOM 0 H5 C A 13 -6.123 5.059 1.755 1.00 10.00 H new ATOM 0 H6 C A 13 -6.547 5.879 -0.491 1.00 10.00 H new ATOM 420 P C A 14 -11.286 7.239 -3.233 1.00 10.00 P ATOM 421 OP1 C A 14 -12.072 7.869 -4.320 1.00 10.00 O ATOM 422 OP2 C A 14 -11.110 7.971 -1.956 1.00 10.00 O ATOM 423 O5' C A 14 -11.934 5.822 -2.910 1.00 10.00 O ATOM 424 C5' C A 14 -13.047 5.349 -3.664 1.00 10.00 C ATOM 425 C4' C A 14 -13.368 3.919 -3.297 1.00 10.00 C ATOM 426 O4' C A 14 -12.180 3.279 -2.771 1.00 10.00 O ATOM 427 C3' C A 14 -14.398 3.734 -2.193 1.00 10.00 C ATOM 428 O3' C A 14 -15.731 3.797 -2.699 1.00 10.00 O ATOM 429 C2' C A 14 -14.079 2.338 -1.669 1.00 10.00 C ATOM 430 O2' C A 14 -14.750 1.347 -2.424 1.00 10.00 O ATOM 431 C1' C A 14 -12.566 2.232 -1.898 1.00 10.00 C ATOM 432 N1 C A 14 -11.783 2.338 -0.655 1.00 10.00 N ATOM 433 C2 C A 14 -11.483 1.172 0.054 1.00 10.00 C ATOM 434 O2 C A 14 -11.879 0.081 -0.384 1.00 10.00 O ATOM 435 N3 C A 14 -10.780 1.261 1.208 1.00 10.00 N ATOM 436 C4 C A 14 -10.380 2.453 1.659 1.00 10.00 C ATOM 437 N4 C A 14 -9.700 2.489 2.809 1.00 10.00 N ATOM 438 C5 C A 14 -10.670 3.658 0.954 1.00 10.00 C ATOM 439 C6 C A 14 -11.367 3.554 -0.184 1.00 10.00 C ATOM 0 H5' C A 14 -12.826 5.416 -4.729 1.00 10.00 H new ATOM 0 H5'' C A 14 -13.915 5.982 -3.478 1.00 10.00 H new ATOM 0 H4' C A 14 -13.758 3.499 -4.224 1.00 10.00 H new ATOM 0 H3' C A 14 -14.349 4.511 -1.430 1.00 10.00 H new ATOM 0 H2' C A 14 -14.385 2.191 -0.633 1.00 10.00 H new ATOM 0 HO2' C A 14 -15.462 1.765 -2.953 1.00 10.00 H new ATOM 0 HO3' C A 14 -16.366 3.673 -1.963 1.00 10.00 H new ATOM 0 H1' C A 14 -12.362 1.248 -2.320 1.00 10.00 H new ATOM 0 H41 C A 14 -9.379 3.382 3.184 1.00 10.00 H new ATOM 0 H42 C A 14 -9.502 1.624 3.312 1.00 10.00 H new ATOM 0 H5 C A 14 -10.340 4.618 1.324 1.00 10.00 H new ATOM 0 H6 C A 14 -11.606 4.447 -0.742 1.00 10.00 H new TER 452 C A 14