USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 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 -27:sc= 0.107 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot 180:sc= -0.217 USER MOD Single : A 3 G O2' : rot 180:sc= -0.403 USER MOD Single : A 4 G O2' : rot -15:sc= -0.322 USER MOD Single : A 5 U O2' : rot 180:sc= -0.576 USER MOD Single : A 6 C O2' : rot -25:sc= 0.175 USER MOD Single : A 7 U O2' : rot -21:sc= 0.161 USER MOD Single : A 8 C O2' : rot -16:sc= 0.119 USER MOD Single : A 8 C O3' : rot 180:sc= 0.154 USER MOD Single : B 9 G O2' : rot 180:sc= -0.415 USER MOD Single : B 9 G O5' : rot 25:sc= 0.284 USER MOD Single : B 10 A O2' : rot -9:sc= -0.122 USER MOD Single : B 11 G O2' : rot 180:sc= -0.257 USER MOD Single : B 12 G O2' : rot -21:sc= -0.191 USER MOD Single : B 13 U O2' : rot 180:sc= -0.268 USER MOD Single : B 14 C O2' : rot -26:sc= 0.103 USER MOD Single : B 15 U O2' : rot 180:sc= -0.44 USER MOD Single : B 16 C O2' : rot -20:sc= 0.144 USER MOD Single : B 16 C O3' : rot 180:sc= 0.136 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.496 -10.424 3.717 1.00 0.00 O ATOM 2 C5' G A 1 6.341 -9.332 4.597 1.00 0.00 C ATOM 3 C4' G A 1 7.223 -8.173 4.135 1.00 0.00 C ATOM 4 O4' G A 1 6.791 -7.664 2.873 1.00 0.00 O ATOM 5 C3' G A 1 7.142 -6.992 5.080 1.00 0.00 C ATOM 6 O3' G A 1 7.922 -7.170 6.248 1.00 0.00 O ATOM 7 C2' G A 1 7.699 -5.914 4.190 1.00 0.00 C ATOM 8 O2' G A 1 9.096 -6.075 4.071 1.00 0.00 O ATOM 9 C1' G A 1 7.058 -6.253 2.852 1.00 0.00 C ATOM 10 N9 G A 1 5.792 -5.510 2.709 1.00 0.00 N ATOM 11 C8 G A 1 4.522 -5.905 3.033 1.00 0.00 C ATOM 12 N7 G A 1 3.606 -5.016 2.770 1.00 0.00 N ATOM 13 C5 G A 1 4.322 -3.947 2.241 1.00 0.00 C ATOM 14 C6 G A 1 3.866 -2.679 1.776 1.00 0.00 C ATOM 15 O6 G A 1 2.713 -2.256 1.723 1.00 0.00 O ATOM 16 N1 G A 1 4.921 -1.879 1.351 1.00 0.00 N ATOM 17 C2 G A 1 6.248 -2.252 1.359 1.00 0.00 C ATOM 18 N2 G A 1 7.130 -1.351 0.916 1.00 0.00 N ATOM 19 N3 G A 1 6.678 -3.445 1.783 1.00 0.00 N ATOM 20 C4 G A 1 5.664 -4.238 2.211 1.00 0.00 C ATOM 0 H5' G A 1 6.612 -9.627 5.611 1.00 0.00 H new ATOM 0 H5'' G A 1 5.297 -9.019 4.625 1.00 0.00 H new ATOM 0 H4' G A 1 8.233 -8.582 4.089 1.00 0.00 H new ATOM 0 H3' G A 1 6.146 -6.799 5.479 1.00 0.00 H new ATOM 0 H2' G A 1 7.508 -4.902 4.547 1.00 0.00 H new ATOM 0 HO2' G A 1 9.442 -6.527 4.868 1.00 0.00 H new ATOM 0 HO5' G A 1 5.931 -11.167 4.015 1.00 0.00 H new ATOM 0 H1' G A 1 7.709 -5.986 2.020 1.00 0.00 H new ATOM 0 H8 G A 1 4.299 -6.868 3.468 1.00 0.00 H new ATOM 0 H1 G A 1 4.696 -0.945 1.007 1.00 0.00 H new ATOM 0 H21 G A 1 8.125 -1.576 0.901 1.00 0.00 H new ATOM 0 H22 G A 1 6.808 -0.438 0.593 1.00 0.00 H new ATOM 33 P A A 2 7.683 -6.241 7.549 1.00 0.00 P ATOM 34 OP1 A A 2 8.671 -6.632 8.579 1.00 0.00 O ATOM 35 OP2 A A 2 6.239 -6.274 7.869 1.00 0.00 O ATOM 36 O5' A A 2 8.048 -4.752 7.044 1.00 0.00 O ATOM 37 C5' A A 2 9.391 -4.325 6.933 1.00 0.00 C ATOM 38 C4' A A 2 9.422 -2.873 6.452 1.00 0.00 C ATOM 39 O4' A A 2 8.742 -2.722 5.212 1.00 0.00 O ATOM 40 C3' A A 2 8.700 -1.944 7.402 1.00 0.00 C ATOM 41 O3' A A 2 9.472 -1.655 8.556 1.00 0.00 O ATOM 42 C2' A A 2 8.508 -0.740 6.518 1.00 0.00 C ATOM 43 O2' A A 2 9.718 -0.016 6.423 1.00 0.00 O ATOM 44 C1' A A 2 8.214 -1.389 5.164 1.00 0.00 C ATOM 45 N9 A A 2 6.753 -1.423 4.924 1.00 0.00 N ATOM 46 C8 A A 2 5.872 -2.465 5.079 1.00 0.00 C ATOM 47 N7 A A 2 4.636 -2.160 4.791 1.00 0.00 N ATOM 48 C5 A A 2 4.701 -0.821 4.415 1.00 0.00 C ATOM 49 C6 A A 2 3.724 0.102 3.990 1.00 0.00 C ATOM 50 N6 A A 2 2.426 -0.202 3.871 1.00 0.00 N ATOM 51 N1 A A 2 4.131 1.350 3.690 1.00 0.00 N ATOM 52 C2 A A 2 5.421 1.653 3.808 1.00 0.00 C ATOM 53 N3 A A 2 6.429 0.882 4.196 1.00 0.00 N ATOM 54 C4 A A 2 5.989 -0.365 4.489 1.00 0.00 C ATOM 0 H5' A A 2 9.931 -4.963 6.234 1.00 0.00 H new ATOM 0 H5'' A A 2 9.893 -4.412 7.897 1.00 0.00 H new ATOM 0 H4' A A 2 10.481 -2.625 6.375 1.00 0.00 H new ATOM 0 H3' A A 2 7.776 -2.346 7.817 1.00 0.00 H new ATOM 0 H2' A A 2 7.741 -0.051 6.872 1.00 0.00 H new ATOM 0 HO2' A A 2 9.587 0.765 5.846 1.00 0.00 H new ATOM 0 H1' A A 2 8.671 -0.823 4.353 1.00 0.00 H new ATOM 0 H8 A A 2 6.174 -3.448 5.409 1.00 0.00 H new ATOM 0 H61 A A 2 1.763 0.507 3.558 1.00 0.00 H new ATOM 0 H62 A A 2 2.100 -1.143 4.093 1.00 0.00 H new ATOM 0 H2 A A 2 5.685 2.669 3.552 1.00 0.00 H new ATOM 66 P G A 3 8.795 -1.001 9.870 1.00 0.00 P ATOM 67 OP1 G A 3 9.855 -0.801 10.883 1.00 0.00 O ATOM 68 OP2 G A 3 7.598 -1.802 10.210 1.00 0.00 O ATOM 69 O5' G A 3 8.299 0.446 9.373 1.00 0.00 O ATOM 70 C5' G A 3 9.211 1.510 9.187 1.00 0.00 C ATOM 71 C4' G A 3 8.443 2.721 8.660 1.00 0.00 C ATOM 72 O4' G A 3 7.782 2.400 7.443 1.00 0.00 O ATOM 73 C3' G A 3 7.348 3.161 9.593 1.00 0.00 C ATOM 74 O3' G A 3 7.848 3.896 10.699 1.00 0.00 O ATOM 75 C2' G A 3 6.556 4.031 8.647 1.00 0.00 C ATOM 76 O2' G A 3 7.191 5.282 8.497 1.00 0.00 O ATOM 77 C1' G A 3 6.662 3.275 7.325 1.00 0.00 C ATOM 78 N9 G A 3 5.418 2.515 7.110 1.00 0.00 N ATOM 79 C8 G A 3 5.150 1.190 7.341 1.00 0.00 C ATOM 80 N7 G A 3 3.914 0.852 7.095 1.00 0.00 N ATOM 81 C5 G A 3 3.320 2.040 6.675 1.00 0.00 C ATOM 82 C6 G A 3 1.977 2.308 6.277 1.00 0.00 C ATOM 83 O6 G A 3 1.031 1.527 6.205 1.00 0.00 O ATOM 84 N1 G A 3 1.801 3.647 5.944 1.00 0.00 N ATOM 85 C2 G A 3 2.790 4.607 5.979 1.00 0.00 C ATOM 86 N2 G A 3 2.447 5.844 5.614 1.00 0.00 N ATOM 87 N3 G A 3 4.047 4.358 6.348 1.00 0.00 N ATOM 88 C4 G A 3 4.238 3.059 6.683 1.00 0.00 C ATOM 0 H5' G A 3 9.992 1.221 8.483 1.00 0.00 H new ATOM 0 H5'' G A 3 9.705 1.755 10.128 1.00 0.00 H new ATOM 0 H4' G A 3 9.190 3.506 8.542 1.00 0.00 H new ATOM 0 H3' G A 3 6.788 2.353 10.064 1.00 0.00 H new ATOM 0 H2' G A 3 5.536 4.212 8.985 1.00 0.00 H new ATOM 0 HO2' G A 3 6.672 5.841 7.881 1.00 0.00 H new ATOM 0 H1' G A 3 6.798 3.945 6.476 1.00 0.00 H new ATOM 0 H8 G A 3 5.894 0.491 7.694 1.00 0.00 H new ATOM 0 H1 G A 3 0.869 3.941 5.652 1.00 0.00 H new ATOM 0 H21 G A 3 3.143 6.590 5.623 1.00 0.00 H new ATOM 0 H22 G A 3 1.489 6.044 5.326 1.00 0.00 H new ATOM 100 P G A 4 6.855 4.453 11.851 1.00 0.00 P ATOM 101 OP1 G A 4 7.686 4.939 12.974 1.00 0.00 O ATOM 102 OP2 G A 4 5.823 3.422 12.097 1.00 0.00 O ATOM 103 O5' G A 4 6.131 5.735 11.177 1.00 0.00 O ATOM 104 C5' G A 4 6.835 6.949 10.973 1.00 0.00 C ATOM 105 C4' G A 4 5.877 8.021 10.433 1.00 0.00 C ATOM 106 O4' G A 4 5.281 7.618 9.196 1.00 0.00 O ATOM 107 C3' G A 4 4.723 8.283 11.384 1.00 0.00 C ATOM 108 O3' G A 4 5.079 9.185 12.414 1.00 0.00 O ATOM 109 C2' G A 4 3.721 8.902 10.440 1.00 0.00 C ATOM 110 O2' G A 4 4.084 10.241 10.169 1.00 0.00 O ATOM 111 C1' G A 4 3.920 8.083 9.177 1.00 0.00 C ATOM 112 N9 G A 4 3.003 6.926 9.160 1.00 0.00 N ATOM 113 C8 G A 4 3.297 5.607 9.354 1.00 0.00 C ATOM 114 N7 G A 4 2.275 4.807 9.224 1.00 0.00 N ATOM 115 C5 G A 4 1.219 5.663 8.922 1.00 0.00 C ATOM 116 C6 G A 4 -0.154 5.371 8.670 1.00 0.00 C ATOM 117 O6 G A 4 -0.711 4.276 8.654 1.00 0.00 O ATOM 118 N1 G A 4 -0.888 6.527 8.427 1.00 0.00 N ATOM 119 C2 G A 4 -0.368 7.803 8.406 1.00 0.00 C ATOM 120 N2 G A 4 -1.227 8.796 8.154 1.00 0.00 N ATOM 121 N3 G A 4 0.923 8.080 8.629 1.00 0.00 N ATOM 122 C4 G A 4 1.655 6.966 8.884 1.00 0.00 C ATOM 0 H5' G A 4 7.653 6.792 10.270 1.00 0.00 H new ATOM 0 H5'' G A 4 7.280 7.284 11.910 1.00 0.00 H new ATOM 0 H4' G A 4 6.489 8.914 10.307 1.00 0.00 H new ATOM 0 H3' G A 4 4.371 7.398 11.914 1.00 0.00 H new ATOM 0 H2' G A 4 2.702 8.904 10.826 1.00 0.00 H new ATOM 0 HO2' G A 4 4.753 10.537 10.821 1.00 0.00 H new ATOM 0 H1' G A 4 3.714 8.685 8.292 1.00 0.00 H new ATOM 0 H8 G A 4 4.290 5.256 9.594 1.00 0.00 H new ATOM 0 H1 G A 4 -1.887 6.422 8.251 1.00 0.00 H new ATOM 0 H21 G A 4 -0.897 9.761 8.126 1.00 0.00 H new ATOM 0 H22 G A 4 -2.212 8.589 7.989 1.00 0.00 H new ATOM 134 P U A 5 4.236 9.248 13.788 1.00 0.00 P ATOM 135 OP1 U A 5 4.658 10.454 14.533 1.00 0.00 O ATOM 136 OP2 U A 5 4.326 7.920 14.433 1.00 0.00 O ATOM 137 O5' U A 5 2.713 9.460 13.305 1.00 0.00 O ATOM 138 C5' U A 5 2.247 10.712 12.851 1.00 0.00 C ATOM 139 C4' U A 5 0.751 10.609 12.508 1.00 0.00 C ATOM 140 O4' U A 5 0.479 9.789 11.365 1.00 0.00 O ATOM 141 C3' U A 5 -0.059 10.037 13.638 1.00 0.00 C ATOM 142 O3' U A 5 -0.302 10.988 14.656 1.00 0.00 O ATOM 143 C2' U A 5 -1.313 9.687 12.880 1.00 0.00 C ATOM 144 O2' U A 5 -2.050 10.853 12.572 1.00 0.00 O ATOM 145 C1' U A 5 -0.767 9.104 11.603 1.00 0.00 C ATOM 146 N1 U A 5 -0.506 7.656 11.755 1.00 0.00 N ATOM 147 C2 U A 5 -1.540 6.763 11.501 1.00 0.00 C ATOM 148 O2 U A 5 -2.677 7.134 11.210 1.00 0.00 O ATOM 149 N3 U A 5 -1.218 5.418 11.591 1.00 0.00 N ATOM 150 C4 U A 5 0.027 4.898 11.911 1.00 0.00 C ATOM 151 O4 U A 5 0.204 3.684 11.960 1.00 0.00 O ATOM 152 C5 U A 5 1.036 5.901 12.165 1.00 0.00 C ATOM 153 C6 U A 5 0.740 7.218 12.077 1.00 0.00 C ATOM 0 H5' U A 5 2.812 11.025 11.973 1.00 0.00 H new ATOM 0 H5'' U A 5 2.404 11.470 13.618 1.00 0.00 H new ATOM 0 H4' U A 5 0.467 11.641 12.302 1.00 0.00 H new ATOM 0 H3' U A 5 0.409 9.212 14.176 1.00 0.00 H new ATOM 0 H2' U A 5 -1.978 9.025 13.435 1.00 0.00 H new ATOM 0 HO2' U A 5 -2.860 10.607 12.078 1.00 0.00 H new ATOM 0 H1' U A 5 -1.475 9.226 10.783 1.00 0.00 H new ATOM 0 H3 U A 5 -1.965 4.749 11.405 1.00 0.00 H new ATOM 0 H5 U A 5 2.038 5.596 12.428 1.00 0.00 H new ATOM 0 H6 U A 5 1.517 7.943 12.268 1.00 0.00 H new ATOM 164 P C A 6 -0.819 10.524 16.111 1.00 0.00 P ATOM 165 OP1 C A 6 -1.116 11.736 16.905 1.00 0.00 O ATOM 166 OP2 C A 6 0.133 9.519 16.633 1.00 0.00 O ATOM 167 O5' C A 6 -2.206 9.776 15.795 1.00 0.00 O ATOM 168 C5' C A 6 -3.365 10.503 15.454 1.00 0.00 C ATOM 169 C4' C A 6 -4.505 9.522 15.181 1.00 0.00 C ATOM 170 O4' C A 6 -4.209 8.644 14.101 1.00 0.00 O ATOM 171 C3' C A 6 -4.775 8.634 16.375 1.00 0.00 C ATOM 172 O3' C A 6 -5.541 9.314 17.350 1.00 0.00 O ATOM 173 C2' C A 6 -5.543 7.515 15.723 1.00 0.00 C ATOM 174 O2' C A 6 -6.877 7.922 15.498 1.00 0.00 O ATOM 175 C1' C A 6 -4.833 7.382 14.372 1.00 0.00 C ATOM 176 N1 C A 6 -3.807 6.312 14.421 1.00 0.00 N ATOM 177 C2 C A 6 -4.254 5.004 14.303 1.00 0.00 C ATOM 178 O2 C A 6 -5.452 4.772 14.167 1.00 0.00 O ATOM 179 N3 C A 6 -3.335 4.002 14.341 1.00 0.00 N ATOM 180 C4 C A 6 -2.032 4.266 14.497 1.00 0.00 C ATOM 181 N4 C A 6 -1.167 3.248 14.532 1.00 0.00 N ATOM 182 C5 C A 6 -1.553 5.612 14.610 1.00 0.00 C ATOM 183 C6 C A 6 -2.474 6.598 14.557 1.00 0.00 C ATOM 0 H5' C A 6 -3.178 11.118 14.574 1.00 0.00 H new ATOM 0 H5'' C A 6 -3.637 11.180 16.264 1.00 0.00 H new ATOM 0 H4' C A 6 -5.367 10.147 14.948 1.00 0.00 H new ATOM 0 H3' C A 6 -3.888 8.304 16.916 1.00 0.00 H new ATOM 0 H2' C A 6 -5.571 6.599 16.313 1.00 0.00 H new ATOM 0 HO2' C A 6 -7.118 8.622 16.140 1.00 0.00 H new ATOM 0 H1' C A 6 -5.546 7.118 13.591 1.00 0.00 H new ATOM 0 H41 C A 6 -0.170 3.430 14.650 1.00 0.00 H new ATOM 0 H42 C A 6 -1.504 2.289 14.441 1.00 0.00 H new ATOM 0 H5 C A 6 -0.502 5.828 14.732 1.00 0.00 H new ATOM 0 H6 C A 6 -2.155 7.628 14.623 1.00 0.00 H new ATOM 195 P U A 7 -5.814 8.660 18.788 1.00 0.00 P ATOM 196 OP1 U A 7 -6.600 9.621 19.594 1.00 0.00 O ATOM 197 OP2 U A 7 -4.527 8.146 19.307 1.00 0.00 O ATOM 198 O5' U A 7 -6.756 7.403 18.451 1.00 0.00 O ATOM 199 C5' U A 7 -6.738 6.272 19.284 1.00 0.00 C ATOM 200 C4' U A 7 -7.709 5.204 18.783 1.00 0.00 C ATOM 201 O4' U A 7 -7.360 4.729 17.474 1.00 0.00 O ATOM 202 C3' U A 7 -7.637 4.018 19.723 1.00 0.00 C ATOM 203 O3' U A 7 -8.591 4.133 20.763 1.00 0.00 O ATOM 204 C2' U A 7 -7.923 2.858 18.811 1.00 0.00 C ATOM 205 O2' U A 7 -9.316 2.746 18.605 1.00 0.00 O ATOM 206 C1' U A 7 -7.267 3.299 17.508 1.00 0.00 C ATOM 207 N1 U A 7 -5.839 2.887 17.418 1.00 0.00 N ATOM 208 C2 U A 7 -5.577 1.538 17.221 1.00 0.00 C ATOM 209 O2 U A 7 -6.472 0.696 17.181 1.00 0.00 O ATOM 210 N3 U A 7 -4.247 1.186 17.062 1.00 0.00 N ATOM 211 C4 U A 7 -3.169 2.056 17.059 1.00 0.00 C ATOM 212 O4 U A 7 -2.024 1.629 16.930 1.00 0.00 O ATOM 213 C5 U A 7 -3.534 3.451 17.201 1.00 0.00 C ATOM 214 C6 U A 7 -4.827 3.819 17.366 1.00 0.00 C ATOM 0 H5' U A 7 -7.004 6.561 20.301 1.00 0.00 H new ATOM 0 H5'' U A 7 -5.729 5.861 19.323 1.00 0.00 H new ATOM 0 H4' U A 7 -8.703 5.649 18.744 1.00 0.00 H new ATOM 0 H3' U A 7 -6.682 3.921 20.239 1.00 0.00 H new ATOM 0 H2' U A 7 -7.567 1.902 19.195 1.00 0.00 H new ATOM 0 HO2' U A 7 -9.792 3.203 19.330 1.00 0.00 H new ATOM 0 H1' U A 7 -7.774 2.828 16.666 1.00 0.00 H new ATOM 0 H3 U A 7 -4.042 0.195 16.935 1.00 0.00 H new ATOM 0 H5 U A 7 -2.764 4.208 17.175 1.00 0.00 H new ATOM 0 H6 U A 7 -5.070 4.867 17.459 1.00 0.00 H new ATOM 225 P C A 8 -8.573 3.129 22.016 1.00 0.00 P ATOM 226 OP1 C A 8 -9.696 3.481 22.911 1.00 0.00 O ATOM 227 OP2 C A 8 -7.192 3.091 22.548 1.00 0.00 O ATOM 228 O5' C A 8 -8.892 1.705 21.346 1.00 0.00 O ATOM 229 C5' C A 8 -8.377 0.530 21.918 1.00 0.00 C ATOM 230 C4' C A 8 -8.730 -0.686 21.063 1.00 0.00 C ATOM 231 O4' C A 8 -8.256 -0.544 19.717 1.00 0.00 O ATOM 232 C3' C A 8 -8.029 -1.902 21.627 1.00 0.00 C ATOM 233 O3' C A 8 -8.791 -2.560 22.616 1.00 0.00 O ATOM 234 C2' C A 8 -7.826 -2.753 20.418 1.00 0.00 C ATOM 235 O2' C A 8 -9.019 -3.429 20.078 1.00 0.00 O ATOM 236 C1' C A 8 -7.500 -1.715 19.368 1.00 0.00 C ATOM 237 N1 C A 8 -6.043 -1.420 19.411 1.00 0.00 N ATOM 238 C2 C A 8 -5.159 -2.433 19.058 1.00 0.00 C ATOM 239 O2 C A 8 -5.581 -3.530 18.698 1.00 0.00 O ATOM 240 N3 C A 8 -3.822 -2.174 19.123 1.00 0.00 N ATOM 241 C4 C A 8 -3.371 -0.972 19.508 1.00 0.00 C ATOM 242 N4 C A 8 -2.052 -0.756 19.543 1.00 0.00 N ATOM 243 C5 C A 8 -4.273 0.081 19.863 1.00 0.00 C ATOM 244 C6 C A 8 -5.592 -0.196 19.795 1.00 0.00 C ATOM 0 H5' C A 8 -8.778 0.403 22.923 1.00 0.00 H new ATOM 0 H5'' C A 8 -7.294 0.611 22.015 1.00 0.00 H new ATOM 0 H4' C A 8 -9.816 -0.782 21.069 1.00 0.00 H new ATOM 0 H3' C A 8 -7.101 -1.653 22.143 1.00 0.00 H new ATOM 0 H2' C A 8 -7.067 -3.525 20.542 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.636 -3.407 20.839 1.00 0.00 H new ATOM 0 HO3' C A 8 -8.296 -3.338 22.947 1.00 0.00 H new ATOM 0 H1' C A 8 -7.748 -2.055 18.362 1.00 0.00 H new ATOM 0 H41 C A 8 -1.692 0.153 19.834 1.00 0.00 H new ATOM 0 H42 C A 8 -1.406 -1.500 19.279 1.00 0.00 H new ATOM 0 H5 C A 8 -3.915 1.052 20.171 1.00 0.00 H new ATOM 0 H6 C A 8 -6.306 0.572 20.052 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.621 -10.534 14.652 1.00 0.00 O ATOM 259 C5' G B 9 3.443 -9.878 15.888 1.00 0.00 C ATOM 260 C4' G B 9 1.960 -9.875 16.265 1.00 0.00 C ATOM 261 O4' G B 9 1.750 -9.206 17.508 1.00 0.00 O ATOM 262 C3' G B 9 1.115 -9.117 15.260 1.00 0.00 C ATOM 263 O3' G B 9 0.837 -9.876 14.098 1.00 0.00 O ATOM 264 C2' G B 9 -0.121 -8.879 16.087 1.00 0.00 C ATOM 265 O2' G B 9 -0.872 -10.070 16.184 1.00 0.00 O ATOM 266 C1' G B 9 0.469 -8.563 17.453 1.00 0.00 C ATOM 267 N9 G B 9 0.635 -7.105 17.581 1.00 0.00 N ATOM 268 C8 G B 9 1.741 -6.339 17.331 1.00 0.00 C ATOM 269 N7 G B 9 1.564 -5.065 17.540 1.00 0.00 N ATOM 270 C5 G B 9 0.236 -4.976 17.947 1.00 0.00 C ATOM 271 C6 G B 9 -0.540 -3.835 18.303 1.00 0.00 C ATOM 272 O6 G B 9 -0.189 -2.658 18.352 1.00 0.00 O ATOM 273 N1 G B 9 -1.848 -4.184 18.617 1.00 0.00 N ATOM 274 C2 G B 9 -2.350 -5.467 18.602 1.00 0.00 C ATOM 275 N2 G B 9 -3.640 -5.613 18.922 1.00 0.00 N ATOM 276 N3 G B 9 -1.623 -6.542 18.281 1.00 0.00 N ATOM 277 C4 G B 9 -0.343 -6.222 17.963 1.00 0.00 C ATOM 0 H5' G B 9 3.813 -8.855 15.824 1.00 0.00 H new ATOM 0 H5'' G B 9 4.024 -10.379 16.663 1.00 0.00 H new ATOM 0 H4' G B 9 1.672 -10.926 16.307 1.00 0.00 H new ATOM 0 H3' G B 9 1.585 -8.219 14.860 1.00 0.00 H new ATOM 0 H2' G B 9 -0.777 -8.109 15.682 1.00 0.00 H new ATOM 0 HO2' G B 9 -1.674 -9.908 16.724 1.00 0.00 H new ATOM 0 HO5' G B 9 2.789 -10.490 14.136 1.00 0.00 H new ATOM 0 H1' G B 9 -0.176 -8.911 18.260 1.00 0.00 H new ATOM 0 H8 G B 9 2.678 -6.754 16.990 1.00 0.00 H new ATOM 0 H1 G B 9 -2.486 -3.432 18.879 1.00 0.00 H new ATOM 0 H21 G B 9 -4.062 -6.541 18.927 1.00 0.00 H new ATOM 0 H22 G B 9 -4.202 -4.796 19.162 1.00 0.00 H new ATOM 290 P A B 10 0.262 -9.166 12.768 1.00 0.00 P ATOM 291 OP1 A B 10 0.015 -10.216 11.755 1.00 0.00 O ATOM 292 OP2 A B 10 1.151 -8.028 12.442 1.00 0.00 O ATOM 293 O5' A B 10 -1.162 -8.567 13.227 1.00 0.00 O ATOM 294 C5' A B 10 -2.286 -9.406 13.403 1.00 0.00 C ATOM 295 C4' A B 10 -3.489 -8.553 13.811 1.00 0.00 C ATOM 296 O4' A B 10 -3.227 -7.825 15.005 1.00 0.00 O ATOM 297 C3' A B 10 -3.808 -7.498 12.776 1.00 0.00 C ATOM 298 O3' A B 10 -4.491 -8.039 11.658 1.00 0.00 O ATOM 299 C2' A B 10 -4.669 -6.564 13.584 1.00 0.00 C ATOM 300 O2' A B 10 -5.973 -7.095 13.704 1.00 0.00 O ATOM 301 C1' A B 10 -3.990 -6.610 14.952 1.00 0.00 C ATOM 302 N9 A B 10 -3.100 -5.439 15.124 1.00 0.00 N ATOM 303 C8 A B 10 -1.733 -5.368 15.022 1.00 0.00 C ATOM 304 N7 A B 10 -1.246 -4.180 15.259 1.00 0.00 N ATOM 305 C5 A B 10 -2.370 -3.407 15.537 1.00 0.00 C ATOM 306 C6 A B 10 -2.536 -2.049 15.877 1.00 0.00 C ATOM 307 N6 A B 10 -1.515 -1.193 16.007 1.00 0.00 N ATOM 308 N1 A B 10 -3.790 -1.604 16.083 1.00 0.00 N ATOM 309 C2 A B 10 -4.804 -2.456 15.957 1.00 0.00 C ATOM 310 N3 A B 10 -4.778 -3.748 15.650 1.00 0.00 N ATOM 311 C4 A B 10 -3.505 -4.164 15.450 1.00 0.00 C ATOM 0 H5' A B 10 -2.080 -10.155 14.167 1.00 0.00 H new ATOM 0 H5'' A B 10 -2.502 -9.944 12.480 1.00 0.00 H new ATOM 0 H4' A B 10 -4.311 -9.259 13.932 1.00 0.00 H new ATOM 0 H3' A B 10 -2.935 -7.023 12.328 1.00 0.00 H new ATOM 0 H2' A B 10 -4.760 -5.567 13.153 1.00 0.00 H new ATOM 0 HO2' A B 10 -6.063 -7.876 13.119 1.00 0.00 H new ATOM 0 H1' A B 10 -4.731 -6.583 15.751 1.00 0.00 H new ATOM 0 H8 A B 10 -1.116 -6.218 14.769 1.00 0.00 H new ATOM 0 H61 A B 10 -1.694 -0.220 16.255 1.00 0.00 H new ATOM 0 H62 A B 10 -0.558 -1.514 15.858 1.00 0.00 H new ATOM 0 H2 A B 10 -5.785 -2.039 16.128 1.00 0.00 H new ATOM 323 P G B 11 -4.625 -7.206 10.280 1.00 0.00 P ATOM 324 OP1 G B 11 -5.403 -8.022 9.322 1.00 0.00 O ATOM 325 OP2 G B 11 -3.276 -6.726 9.908 1.00 0.00 O ATOM 326 O5' G B 11 -5.512 -5.928 10.684 1.00 0.00 O ATOM 327 C5' G B 11 -6.912 -6.030 10.858 1.00 0.00 C ATOM 328 C4' G B 11 -7.447 -4.664 11.285 1.00 0.00 C ATOM 329 O4' G B 11 -6.824 -4.237 12.490 1.00 0.00 O ATOM 330 C3' G B 11 -7.134 -3.589 10.280 1.00 0.00 C ATOM 331 O3' G B 11 -8.001 -3.628 9.158 1.00 0.00 O ATOM 332 C2' G B 11 -7.380 -2.372 11.139 1.00 0.00 C ATOM 333 O2' G B 11 -8.767 -2.135 11.250 1.00 0.00 O ATOM 334 C1' G B 11 -6.852 -2.810 12.501 1.00 0.00 C ATOM 335 N9 G B 11 -5.497 -2.259 12.686 1.00 0.00 N ATOM 336 C8 G B 11 -4.278 -2.837 12.440 1.00 0.00 C ATOM 337 N7 G B 11 -3.264 -2.047 12.666 1.00 0.00 N ATOM 338 C5 G B 11 -3.854 -0.858 13.088 1.00 0.00 C ATOM 339 C6 G B 11 -3.258 0.378 13.476 1.00 0.00 C ATOM 340 O6 G B 11 -2.065 0.667 13.533 1.00 0.00 O ATOM 341 N1 G B 11 -4.219 1.322 13.821 1.00 0.00 N ATOM 342 C2 G B 11 -5.580 1.108 13.803 1.00 0.00 C ATOM 343 N2 G B 11 -6.358 2.130 14.171 1.00 0.00 N ATOM 344 N3 G B 11 -6.141 -0.049 13.445 1.00 0.00 N ATOM 345 C4 G B 11 -5.221 -0.983 13.101 1.00 0.00 C ATOM 0 H5' G B 11 -7.146 -6.781 11.612 1.00 0.00 H new ATOM 0 H5'' G B 11 -7.387 -6.350 9.931 1.00 0.00 H new ATOM 0 H4' G B 11 -8.524 -4.794 11.393 1.00 0.00 H new ATOM 0 H3' G B 11 -6.143 -3.654 9.830 1.00 0.00 H new ATOM 0 H2' G B 11 -6.917 -1.467 10.745 1.00 0.00 H new ATOM 0 HO2' G B 11 -8.920 -1.345 11.809 1.00 0.00 H new ATOM 0 H1' G B 11 -7.477 -2.452 13.319 1.00 0.00 H new ATOM 0 H8 G B 11 -4.167 -3.853 12.091 1.00 0.00 H new ATOM 0 H1 G B 11 -3.891 2.244 14.110 1.00 0.00 H new ATOM 0 H21 G B 11 -7.372 2.023 14.175 1.00 0.00 H new ATOM 0 H22 G B 11 -5.937 3.017 14.448 1.00 0.00 H new ATOM 357 P G B 12 -7.820 -2.593 7.928 1.00 0.00 P ATOM 358 OP1 G B 12 -8.702 -3.036 6.826 1.00 0.00 O ATOM 359 OP2 G B 12 -6.370 -2.430 7.684 1.00 0.00 O ATOM 360 O5' G B 12 -8.393 -1.187 8.490 1.00 0.00 O ATOM 361 C5' G B 12 -9.786 -0.966 8.626 1.00 0.00 C ATOM 362 C4' G B 12 -10.046 0.495 9.026 1.00 0.00 C ATOM 363 O4' G B 12 -9.432 0.819 10.276 1.00 0.00 O ATOM 364 C3' G B 12 -9.468 1.467 8.014 1.00 0.00 C ATOM 365 O3' G B 12 -10.329 1.657 6.908 1.00 0.00 O ATOM 366 C2' G B 12 -9.372 2.719 8.852 1.00 0.00 C ATOM 367 O2' G B 12 -10.653 3.300 8.992 1.00 0.00 O ATOM 368 C1' G B 12 -8.940 2.169 10.201 1.00 0.00 C ATOM 369 N9 G B 12 -7.470 2.159 10.313 1.00 0.00 N ATOM 370 C8 G B 12 -6.625 1.091 10.243 1.00 0.00 C ATOM 371 N7 G B 12 -5.372 1.385 10.449 1.00 0.00 N ATOM 372 C5 G B 12 -5.385 2.759 10.667 1.00 0.00 C ATOM 373 C6 G B 12 -4.308 3.651 10.945 1.00 0.00 C ATOM 374 O6 G B 12 -3.116 3.388 11.070 1.00 0.00 O ATOM 375 N1 G B 12 -4.749 4.963 11.070 1.00 0.00 N ATOM 376 C2 G B 12 -6.063 5.369 10.964 1.00 0.00 C ATOM 377 N2 G B 12 -6.299 6.677 11.109 1.00 0.00 N ATOM 378 N3 G B 12 -7.079 4.532 10.719 1.00 0.00 N ATOM 379 C4 G B 12 -6.667 3.246 10.578 1.00 0.00 C ATOM 0 H5' G B 12 -10.198 -1.637 9.379 1.00 0.00 H new ATOM 0 H5'' G B 12 -10.292 -1.191 7.687 1.00 0.00 H new ATOM 0 H4' G B 12 -11.130 0.587 9.085 1.00 0.00 H new ATOM 0 H3' G B 12 -8.529 1.139 7.568 1.00 0.00 H new ATOM 0 H2' G B 12 -8.708 3.475 8.434 1.00 0.00 H new ATOM 0 HO2' G B 12 -11.239 2.977 8.276 1.00 0.00 H new ATOM 0 H1' G B 12 -9.334 2.788 11.007 1.00 0.00 H new ATOM 0 H8 G B 12 -6.965 0.087 10.035 1.00 0.00 H new ATOM 0 H1 G B 12 -4.048 5.680 11.254 1.00 0.00 H new ATOM 0 H21 G B 12 -7.252 7.034 11.040 1.00 0.00 H new ATOM 0 H22 G B 12 -5.526 7.318 11.288 1.00 0.00 H new ATOM 391 P U B 13 -9.760 2.203 5.503 1.00 0.00 P ATOM 392 OP1 U B 13 -10.911 2.570 4.650 1.00 0.00 O ATOM 393 OP2 U B 13 -8.763 1.228 5.011 1.00 0.00 O ATOM 394 O5' U B 13 -8.976 3.553 5.900 1.00 0.00 O ATOM 395 C5' U B 13 -9.663 4.751 6.189 1.00 0.00 C ATOM 396 C4' U B 13 -8.648 5.872 6.465 1.00 0.00 C ATOM 397 O4' U B 13 -7.930 5.708 7.695 1.00 0.00 O ATOM 398 C3' U B 13 -7.606 5.981 5.385 1.00 0.00 C ATOM 399 O3' U B 13 -8.099 6.619 4.223 1.00 0.00 O ATOM 400 C2' U B 13 -6.595 6.826 6.115 1.00 0.00 C ATOM 401 O2' U B 13 -7.041 8.165 6.211 1.00 0.00 O ATOM 402 C1' U B 13 -6.591 6.205 7.491 1.00 0.00 C ATOM 403 N1 U B 13 -5.638 5.072 7.553 1.00 0.00 N ATOM 404 C2 U B 13 -4.313 5.332 7.889 1.00 0.00 C ATOM 405 O2 U B 13 -3.892 6.470 8.092 1.00 0.00 O ATOM 406 N3 U B 13 -3.483 4.226 7.988 1.00 0.00 N ATOM 407 C4 U B 13 -3.855 2.906 7.778 1.00 0.00 C ATOM 408 O4 U B 13 -3.035 2.000 7.891 1.00 0.00 O ATOM 409 C5 U B 13 -5.248 2.736 7.429 1.00 0.00 C ATOM 410 C6 U B 13 -6.074 3.803 7.334 1.00 0.00 C ATOM 0 H5' U B 13 -10.311 4.611 7.055 1.00 0.00 H new ATOM 0 H5'' U B 13 -10.305 5.025 5.352 1.00 0.00 H new ATOM 0 H4' U B 13 -9.267 6.768 6.511 1.00 0.00 H new ATOM 0 H3' U B 13 -7.232 5.032 5.000 1.00 0.00 H new ATOM 0 H2' U B 13 -5.621 6.851 5.625 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.373 8.699 6.689 1.00 0.00 H new ATOM 0 H1' U B 13 -6.292 6.930 8.248 1.00 0.00 H new ATOM 0 H3 U B 13 -2.509 4.399 8.238 1.00 0.00 H new ATOM 0 H5 U B 13 -5.634 1.745 7.242 1.00 0.00 H new ATOM 0 H6 U B 13 -7.110 3.642 7.077 1.00 0.00 H new ATOM 421 P C B 14 -7.309 6.498 2.821 1.00 0.00 P ATOM 422 OP1 C B 14 -7.988 7.364 1.831 1.00 0.00 O ATOM 423 OP2 C B 14 -7.115 5.061 2.530 1.00 0.00 O ATOM 424 O5' C B 14 -5.872 7.138 3.147 1.00 0.00 O ATOM 425 C5' C B 14 -5.710 8.531 3.277 1.00 0.00 C ATOM 426 C4' C B 14 -4.266 8.835 3.675 1.00 0.00 C ATOM 427 O4' C B 14 -3.927 8.242 4.928 1.00 0.00 O ATOM 428 C3' C B 14 -3.262 8.279 2.688 1.00 0.00 C ATOM 429 O3' C B 14 -3.156 9.055 1.510 1.00 0.00 O ATOM 430 C2' C B 14 -2.019 8.365 3.529 1.00 0.00 C ATOM 431 O2' C B 14 -1.619 9.714 3.641 1.00 0.00 O ATOM 432 C1' C B 14 -2.532 7.902 4.888 1.00 0.00 C ATOM 433 N1 C B 14 -2.348 6.436 5.027 1.00 0.00 N ATOM 434 C2 C B 14 -1.067 5.989 5.317 1.00 0.00 C ATOM 435 O2 C B 14 -0.156 6.796 5.476 1.00 0.00 O ATOM 436 N3 C B 14 -0.855 4.649 5.416 1.00 0.00 N ATOM 437 C4 C B 14 -1.856 3.778 5.230 1.00 0.00 C ATOM 438 N4 C B 14 -1.600 2.470 5.328 1.00 0.00 N ATOM 439 C5 C B 14 -3.186 4.223 4.939 1.00 0.00 C ATOM 440 C6 C B 14 -3.384 5.557 4.854 1.00 0.00 C ATOM 0 H5' C B 14 -6.397 8.920 4.029 1.00 0.00 H new ATOM 0 H5'' C B 14 -5.953 9.027 2.337 1.00 0.00 H new ATOM 0 H4' C B 14 -4.217 9.923 3.713 1.00 0.00 H new ATOM 0 H3' C B 14 -3.505 7.289 2.303 1.00 0.00 H new ATOM 0 H2' C B 14 -1.177 7.796 3.135 1.00 0.00 H new ATOM 0 HO2' C B 14 -1.939 10.216 2.863 1.00 0.00 H new ATOM 0 H1' C B 14 -1.990 8.377 5.705 1.00 0.00 H new ATOM 0 H41 C B 14 -2.349 1.792 5.190 1.00 0.00 H new ATOM 0 H42 C B 14 -0.655 2.150 5.541 1.00 0.00 H new ATOM 0 H5 C B 14 -3.995 3.523 4.794 1.00 0.00 H new ATOM 0 H6 C B 14 -4.374 5.936 4.647 1.00 0.00 H new ATOM 452 P U B 15 -2.447 8.453 0.187 1.00 0.00 P ATOM 453 OP1 U B 15 -2.462 9.501 -0.858 1.00 0.00 O ATOM 454 OP2 U B 15 -3.054 7.134 -0.091 1.00 0.00 O ATOM 455 O5' U B 15 -0.913 8.210 0.630 1.00 0.00 O ATOM 456 C5' U B 15 0.002 9.284 0.711 1.00 0.00 C ATOM 457 C4' U B 15 1.394 8.750 1.058 1.00 0.00 C ATOM 458 O4' U B 15 1.403 8.037 2.300 1.00 0.00 O ATOM 459 C3' U B 15 1.897 7.754 0.034 1.00 0.00 C ATOM 460 O3' U B 15 2.365 8.367 -1.152 1.00 0.00 O ATOM 461 C2' U B 15 3.017 7.128 0.819 1.00 0.00 C ATOM 462 O2' U B 15 4.119 8.012 0.876 1.00 0.00 O ATOM 463 C1' U B 15 2.416 7.015 2.211 1.00 0.00 C ATOM 464 N1 U B 15 1.834 5.661 2.420 1.00 0.00 N ATOM 465 C2 U B 15 2.723 4.626 2.679 1.00 0.00 C ATOM 466 O2 U B 15 3.938 4.802 2.726 1.00 0.00 O ATOM 467 N3 U B 15 2.167 3.376 2.885 1.00 0.00 N ATOM 468 C4 U B 15 0.819 3.068 2.851 1.00 0.00 C ATOM 469 O4 U B 15 0.439 1.914 3.034 1.00 0.00 O ATOM 470 C5 U B 15 -0.041 4.205 2.593 1.00 0.00 C ATOM 471 C6 U B 15 0.478 5.442 2.393 1.00 0.00 C ATOM 0 H5' U B 15 -0.324 9.996 1.469 1.00 0.00 H new ATOM 0 H5'' U B 15 0.033 9.820 -0.238 1.00 0.00 H new ATOM 0 H4' U B 15 2.023 9.639 1.097 1.00 0.00 H new ATOM 0 H3' U B 15 1.137 7.064 -0.334 1.00 0.00 H new ATOM 0 H2' U B 15 3.368 6.186 0.397 1.00 0.00 H new ATOM 0 HO2' U B 15 4.844 7.598 1.390 1.00 0.00 H new ATOM 0 H1' U B 15 3.172 7.152 2.984 1.00 0.00 H new ATOM 0 H3 U B 15 2.811 2.610 3.080 1.00 0.00 H new ATOM 0 H5 U B 15 -1.111 4.065 2.559 1.00 0.00 H new ATOM 0 H6 U B 15 -0.188 6.272 2.209 1.00 0.00 H new ATOM 482 P C B 16 2.702 7.478 -2.462 1.00 0.00 P ATOM 483 OP1 C B 16 3.188 8.388 -3.523 1.00 0.00 O ATOM 484 OP2 C B 16 1.541 6.600 -2.726 1.00 0.00 O ATOM 485 O5' C B 16 3.936 6.544 -2.000 1.00 0.00 O ATOM 486 C5' C B 16 5.245 7.065 -1.894 1.00 0.00 C ATOM 487 C4' C B 16 6.209 5.954 -1.465 1.00 0.00 C ATOM 488 O4' C B 16 5.843 5.384 -0.213 1.00 0.00 O ATOM 489 C3' C B 16 6.211 4.786 -2.425 1.00 0.00 C ATOM 490 O3' C B 16 6.926 5.058 -3.611 1.00 0.00 O ATOM 491 C2' C B 16 6.897 3.746 -1.588 1.00 0.00 C ATOM 492 O2' C B 16 8.286 3.999 -1.563 1.00 0.00 O ATOM 493 C1' C B 16 6.303 4.020 -0.206 1.00 0.00 C ATOM 494 N1 C B 16 5.172 3.085 0.042 1.00 0.00 N ATOM 495 C2 C B 16 5.487 1.777 0.395 1.00 0.00 C ATOM 496 O2 C B 16 6.660 1.435 0.521 1.00 0.00 O ATOM 497 N3 C B 16 4.465 0.897 0.591 1.00 0.00 N ATOM 498 C4 C B 16 3.188 1.280 0.446 1.00 0.00 C ATOM 499 N4 C B 16 2.216 0.387 0.658 1.00 0.00 N ATOM 500 C5 C B 16 2.851 2.621 0.076 1.00 0.00 C ATOM 501 C6 C B 16 3.874 3.482 -0.110 1.00 0.00 C ATOM 0 H5' C B 16 5.266 7.878 -1.168 1.00 0.00 H new ATOM 0 H5'' C B 16 5.559 7.483 -2.850 1.00 0.00 H new ATOM 0 H4' C B 16 7.181 6.446 -1.426 1.00 0.00 H new ATOM 0 H3' C B 16 5.222 4.506 -2.787 1.00 0.00 H new ATOM 0 H2' C B 16 6.763 2.724 -1.942 1.00 0.00 H new ATOM 0 HO2' C B 16 8.528 4.572 -2.320 1.00 0.00 H new ATOM 0 HO3' C B 16 6.899 4.273 -4.197 1.00 0.00 H new ATOM 0 H1' C B 16 7.039 3.871 0.584 1.00 0.00 H new ATOM 0 H41 C B 16 1.239 0.661 0.552 1.00 0.00 H new ATOM 0 H42 C B 16 2.451 -0.569 0.926 1.00 0.00 H new ATOM 0 H5 C B 16 1.824 2.930 -0.049 1.00 0.00 H new ATOM 0 H6 C B 16 3.662 4.505 -0.384 1.00 0.00 H new TER 514 C B 16