USER MOD reduce.3.24.130724 H: found=0, std=0, add=153, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 152 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= 0.0575 USER MOD Single : A 1 G O5' : rot 180:sc= -0.781 USER MOD Single : A 2 G O2' : rot -17:sc= 0.0537 USER MOD Single : A 3 U O2' : rot -15:sc= 0.0724 USER MOD Single : A 4 A O2' : rot 180:sc= -0.308 USER MOD Single : A 5 U O2' : rot -16:sc= -0.648 USER MOD Single : A 6 C O2' : rot 177:sc= -2.27! USER MOD Single : A 7 A O2' : rot -139:sc= 1.36 USER MOD Single : A 8 C O2' : rot 145:sc= 1.31 USER MOD Single : A 9 G O2' : rot -90:sc= 1.15 USER MOD Single : A 10 G O2' : rot -22:sc= 0.111 USER MOD Single : A 11 U O2' : rot -21:sc= 0.0972 USER MOD Single : A 12 A O2' : rot -22:sc= 0.0754 USER MOD Single : A 13 C O2' : rot -15:sc= -0.0843 USER MOD Single : A 14 C O2' : rot -16:sc= 0.087 USER MOD Single : A 14 C O3' : rot 180:sc= 0.0968 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -10.725 -5.165 -1.931 1.00 0.00 O ATOM 2 C5' G A 1 -11.349 -6.096 -2.816 1.00 0.00 C ATOM 3 C4' G A 1 -11.268 -5.611 -4.245 1.00 0.00 C ATOM 4 O4' G A 1 -11.945 -4.329 -4.346 1.00 0.00 O ATOM 5 C3' G A 1 -9.862 -5.337 -4.760 1.00 0.00 C ATOM 6 O3' G A 1 -9.242 -6.524 -5.246 1.00 0.00 O ATOM 7 C2' G A 1 -10.117 -4.311 -5.855 1.00 0.00 C ATOM 8 O2' G A 1 -10.633 -4.922 -7.021 1.00 0.00 O ATOM 9 C1' G A 1 -11.221 -3.473 -5.212 1.00 0.00 C ATOM 10 N9 G A 1 -10.715 -2.353 -4.426 1.00 0.00 N ATOM 11 C8 G A 1 -10.549 -2.313 -3.063 1.00 0.00 C ATOM 12 N7 G A 1 -10.072 -1.177 -2.635 1.00 0.00 N ATOM 13 C5 G A 1 -9.911 -0.418 -3.787 1.00 0.00 C ATOM 14 C6 G A 1 -9.426 0.905 -3.954 1.00 0.00 C ATOM 15 O6 G A 1 -9.029 1.696 -3.090 1.00 0.00 O ATOM 16 N1 G A 1 -9.429 1.286 -5.292 1.00 0.00 N ATOM 17 C2 G A 1 -9.845 0.495 -6.336 1.00 0.00 C ATOM 18 N2 G A 1 -9.773 1.042 -7.558 1.00 0.00 N ATOM 19 N3 G A 1 -10.299 -0.740 -6.193 1.00 0.00 N ATOM 20 C4 G A 1 -10.304 -1.129 -4.901 1.00 0.00 C ATOM 0 H5' G A 1 -12.392 -6.232 -2.532 1.00 0.00 H new ATOM 0 H5'' G A 1 -10.865 -7.069 -2.729 1.00 0.00 H new ATOM 0 H4' G A 1 -11.708 -6.418 -4.831 1.00 0.00 H new ATOM 0 H3' G A 1 -9.170 -4.979 -3.998 1.00 0.00 H new ATOM 0 H2' G A 1 -9.223 -3.769 -6.162 1.00 0.00 H new ATOM 0 HO2' G A 1 -10.336 -5.855 -7.060 1.00 0.00 H new ATOM 0 HO5' G A 1 -10.789 -5.495 -1.011 1.00 0.00 H new ATOM 0 H1' G A 1 -11.832 -3.052 -6.010 1.00 0.00 H new ATOM 0 H8 G A 1 -10.789 -3.140 -2.411 1.00 0.00 H new ATOM 0 H1 G A 1 -9.097 2.224 -5.515 1.00 0.00 H new ATOM 0 H21 G A 1 -10.067 0.506 -8.375 1.00 0.00 H new ATOM 0 H22 G A 1 -9.424 1.994 -7.671 1.00 0.00 H new ATOM 32 P G A 2 -7.643 -6.683 -5.163 1.00 0.00 P ATOM 33 OP1 G A 2 -7.318 -8.081 -5.545 1.00 0.00 O ATOM 34 OP2 G A 2 -7.186 -6.156 -3.853 1.00 0.00 O ATOM 35 O5' G A 2 -7.095 -5.721 -6.308 1.00 0.00 O ATOM 36 C5' G A 2 -7.265 -6.056 -7.682 1.00 0.00 C ATOM 37 C4' G A 2 -6.655 -4.989 -8.560 1.00 0.00 C ATOM 38 O4' G A 2 -7.347 -3.733 -8.325 1.00 0.00 O ATOM 39 C3' G A 2 -5.190 -4.667 -8.292 1.00 0.00 C ATOM 40 O3' G A 2 -4.322 -5.568 -8.971 1.00 0.00 O ATOM 41 C2' G A 2 -5.080 -3.240 -8.809 1.00 0.00 C ATOM 42 O2' G A 2 -5.036 -3.207 -10.222 1.00 0.00 O ATOM 43 C1' G A 2 -6.417 -2.665 -8.348 1.00 0.00 C ATOM 44 N9 G A 2 -6.372 -2.074 -7.014 1.00 0.00 N ATOM 45 C8 G A 2 -6.743 -2.670 -5.834 1.00 0.00 C ATOM 46 N7 G A 2 -6.609 -1.890 -4.797 1.00 0.00 N ATOM 47 C5 G A 2 -6.108 -0.707 -5.324 1.00 0.00 C ATOM 48 C6 G A 2 -5.756 0.506 -4.681 1.00 0.00 C ATOM 49 O6 G A 2 -5.819 0.788 -3.479 1.00 0.00 O ATOM 50 N1 G A 2 -5.289 1.449 -5.590 1.00 0.00 N ATOM 51 C2 G A 2 -5.177 1.252 -6.945 1.00 0.00 C ATOM 52 N2 G A 2 -4.711 2.288 -7.657 1.00 0.00 N ATOM 53 N3 G A 2 -5.499 0.124 -7.556 1.00 0.00 N ATOM 54 C4 G A 2 -5.955 -0.805 -6.691 1.00 0.00 C ATOM 0 H5' G A 2 -8.326 -6.161 -7.909 1.00 0.00 H new ATOM 0 H5'' G A 2 -6.798 -7.019 -7.889 1.00 0.00 H new ATOM 0 H4' G A 2 -6.744 -5.394 -9.568 1.00 0.00 H new ATOM 0 H3' G A 2 -4.896 -4.765 -7.247 1.00 0.00 H new ATOM 0 H2' G A 2 -4.189 -2.717 -8.462 1.00 0.00 H new ATOM 0 HO2' G A 2 -4.818 -4.099 -10.563 1.00 0.00 H new ATOM 0 H1' G A 2 -6.692 -1.867 -9.038 1.00 0.00 H new ATOM 0 H8 G A 2 -7.109 -3.684 -5.771 1.00 0.00 H new ATOM 0 H1 G A 2 -5.008 2.358 -5.222 1.00 0.00 H new ATOM 0 H21 G A 2 -4.604 2.205 -8.668 1.00 0.00 H new ATOM 0 H22 G A 2 -4.463 3.159 -7.188 1.00 0.00 H new ATOM 66 P U A 3 -2.884 -5.919 -8.340 1.00 0.00 P ATOM 67 OP1 U A 3 -2.239 -6.917 -9.230 1.00 0.00 O ATOM 68 OP2 U A 3 -3.069 -6.231 -6.900 1.00 0.00 O ATOM 69 O5' U A 3 -2.076 -4.552 -8.458 1.00 0.00 O ATOM 70 C5' U A 3 -1.676 -4.051 -9.728 1.00 0.00 C ATOM 71 C4' U A 3 -1.042 -2.689 -9.573 1.00 0.00 C ATOM 72 O4' U A 3 -2.008 -1.794 -8.965 1.00 0.00 O ATOM 73 C3' U A 3 0.158 -2.609 -8.642 1.00 0.00 C ATOM 74 O3' U A 3 1.360 -3.002 -9.296 1.00 0.00 O ATOM 75 C2' U A 3 0.165 -1.136 -8.254 1.00 0.00 C ATOM 76 O2' U A 3 0.718 -0.338 -9.284 1.00 0.00 O ATOM 77 C1' U A 3 -1.333 -0.841 -8.165 1.00 0.00 C ATOM 78 N1 U A 3 -1.865 -0.914 -6.797 1.00 0.00 N ATOM 79 C2 U A 3 -1.671 0.182 -5.976 1.00 0.00 C ATOM 80 O2 U A 3 -1.072 1.180 -6.339 1.00 0.00 O ATOM 81 N3 U A 3 -2.203 0.066 -4.716 1.00 0.00 N ATOM 82 C4 U A 3 -2.897 -1.011 -4.206 1.00 0.00 C ATOM 83 O4 U A 3 -3.321 -0.967 -3.050 1.00 0.00 O ATOM 84 C5 U A 3 -3.050 -2.103 -5.114 1.00 0.00 C ATOM 85 C6 U A 3 -2.536 -2.028 -6.346 1.00 0.00 C ATOM 0 H5' U A 3 -2.539 -3.985 -10.390 1.00 0.00 H new ATOM 0 H5'' U A 3 -0.969 -4.739 -10.193 1.00 0.00 H new ATOM 0 H4' U A 3 -0.719 -2.437 -10.583 1.00 0.00 H new ATOM 0 H3' U A 3 0.095 -3.279 -7.785 1.00 0.00 H new ATOM 0 H2' U A 3 0.743 -0.931 -7.353 1.00 0.00 H new ATOM 0 HO2' U A 3 1.194 -0.910 -9.921 1.00 0.00 H new ATOM 0 H1' U A 3 -1.490 0.182 -8.508 1.00 0.00 H new ATOM 0 H3 U A 3 -2.071 0.861 -4.090 1.00 0.00 H new ATOM 0 H5 U A 3 -3.582 -2.991 -4.805 1.00 0.00 H new ATOM 0 H6 U A 3 -2.651 -2.871 -7.011 1.00 0.00 H new ATOM 96 P A A 4 2.596 -3.560 -8.430 1.00 0.00 P ATOM 97 OP1 A A 4 3.609 -4.074 -9.388 1.00 0.00 O ATOM 98 OP2 A A 4 2.062 -4.459 -7.376 1.00 0.00 O ATOM 99 O5' A A 4 3.197 -2.263 -7.726 1.00 0.00 O ATOM 100 C5' A A 4 3.901 -1.281 -8.481 1.00 0.00 C ATOM 101 C4' A A 4 4.354 -0.156 -7.579 1.00 0.00 C ATOM 102 O4' A A 4 3.182 0.449 -6.968 1.00 0.00 O ATOM 103 C3' A A 4 5.232 -0.565 -6.403 1.00 0.00 C ATOM 104 O3' A A 4 6.610 -0.604 -6.753 1.00 0.00 O ATOM 105 C2' A A 4 4.944 0.526 -5.380 1.00 0.00 C ATOM 106 O2' A A 4 5.646 1.715 -5.689 1.00 0.00 O ATOM 107 C1' A A 4 3.456 0.766 -5.615 1.00 0.00 C ATOM 108 N9 A A 4 2.591 -0.050 -4.764 1.00 0.00 N ATOM 109 C8 A A 4 2.024 -1.267 -5.049 1.00 0.00 C ATOM 110 N7 A A 4 1.277 -1.742 -4.082 1.00 0.00 N ATOM 111 C5 A A 4 1.366 -0.777 -3.088 1.00 0.00 C ATOM 112 C6 A A 4 0.804 -0.687 -1.804 1.00 0.00 C ATOM 113 N6 A A 4 0.003 -1.617 -1.278 1.00 0.00 N ATOM 114 N1 A A 4 1.095 0.407 -1.067 1.00 0.00 N ATOM 115 C2 A A 4 1.899 1.340 -1.594 1.00 0.00 C ATOM 116 N3 A A 4 2.486 1.368 -2.787 1.00 0.00 N ATOM 117 C4 A A 4 2.176 0.268 -3.494 1.00 0.00 C ATOM 0 H5' A A 4 3.259 -0.889 -9.270 1.00 0.00 H new ATOM 0 H5'' A A 4 4.763 -1.736 -8.969 1.00 0.00 H new ATOM 0 H4' A A 4 4.934 0.497 -8.231 1.00 0.00 H new ATOM 0 H3' A A 4 5.018 -1.570 -6.039 1.00 0.00 H new ATOM 0 H2' A A 4 5.227 0.252 -4.364 1.00 0.00 H new ATOM 0 HO2' A A 4 5.442 2.399 -5.018 1.00 0.00 H new ATOM 0 H1' A A 4 3.245 1.807 -5.372 1.00 0.00 H new ATOM 0 H8 A A 4 2.179 -1.785 -5.984 1.00 0.00 H new ATOM 0 H61 A A 4 -0.374 -1.493 -0.338 1.00 0.00 H new ATOM 0 H62 A A 4 -0.232 -2.451 -1.816 1.00 0.00 H new ATOM 0 H2 A A 4 2.099 2.191 -0.960 1.00 0.00 H new ATOM 129 P U A 5 7.621 -1.526 -5.909 1.00 0.00 P ATOM 130 OP1 U A 5 8.960 -1.407 -6.539 1.00 0.00 O ATOM 131 OP2 U A 5 7.003 -2.867 -5.747 1.00 0.00 O ATOM 132 O5' U A 5 7.682 -0.827 -4.479 1.00 0.00 O ATOM 133 C5' U A 5 8.241 0.475 -4.320 1.00 0.00 C ATOM 134 C4' U A 5 7.857 1.045 -2.973 1.00 0.00 C ATOM 135 O4' U A 5 6.414 0.956 -2.822 1.00 0.00 O ATOM 136 C3' U A 5 8.422 0.303 -1.769 1.00 0.00 C ATOM 137 O3' U A 5 9.710 0.790 -1.411 1.00 0.00 O ATOM 138 C2' U A 5 7.385 0.580 -0.687 1.00 0.00 C ATOM 139 O2' U A 5 7.554 1.872 -0.136 1.00 0.00 O ATOM 140 C1' U A 5 6.092 0.564 -1.499 1.00 0.00 C ATOM 141 N1 U A 5 5.445 -0.754 -1.559 1.00 0.00 N ATOM 142 C2 U A 5 4.544 -1.085 -0.560 1.00 0.00 C ATOM 143 O2 U A 5 4.280 -0.340 0.372 1.00 0.00 O ATOM 144 N3 U A 5 3.963 -2.321 -0.695 1.00 0.00 N ATOM 145 C4 U A 5 4.187 -3.241 -1.697 1.00 0.00 C ATOM 146 O4 U A 5 3.582 -4.314 -1.681 1.00 0.00 O ATOM 147 C5 U A 5 5.136 -2.827 -2.680 1.00 0.00 C ATOM 148 C6 U A 5 5.723 -1.631 -2.582 1.00 0.00 C ATOM 0 H5' U A 5 7.887 1.131 -5.115 1.00 0.00 H new ATOM 0 H5'' U A 5 9.326 0.426 -4.407 1.00 0.00 H new ATOM 0 H4' U A 5 8.260 2.058 -2.977 1.00 0.00 H new ATOM 0 H3' U A 5 8.576 -0.761 -1.949 1.00 0.00 H new ATOM 0 H2' U A 5 7.431 -0.123 0.144 1.00 0.00 H new ATOM 0 HO2' U A 5 8.438 2.218 -0.378 1.00 0.00 H new ATOM 0 H1' U A 5 5.390 1.239 -1.009 1.00 0.00 H new ATOM 0 H3 U A 5 3.292 -2.588 0.025 1.00 0.00 H new ATOM 0 H5 U A 5 5.380 -3.482 -3.504 1.00 0.00 H new ATOM 0 H6 U A 5 6.442 -1.342 -3.334 1.00 0.00 H new ATOM 159 P C A 6 10.512 0.104 -0.199 1.00 0.00 P ATOM 160 OP1 C A 6 11.542 1.072 0.254 1.00 0.00 O ATOM 161 OP2 C A 6 10.921 -1.259 -0.624 1.00 0.00 O ATOM 162 O5' C A 6 9.423 -0.038 0.955 1.00 0.00 O ATOM 163 C5' C A 6 9.351 0.914 2.014 1.00 0.00 C ATOM 164 C4' C A 6 8.368 0.451 3.064 1.00 0.00 C ATOM 165 O4' C A 6 7.156 -0.004 2.409 1.00 0.00 O ATOM 166 C3' C A 6 8.814 -0.742 3.896 1.00 0.00 C ATOM 167 O3' C A 6 9.623 -0.343 4.997 1.00 0.00 O ATOM 168 C2' C A 6 7.491 -1.345 4.350 1.00 0.00 C ATOM 169 O2' C A 6 6.964 -0.639 5.454 1.00 0.00 O ATOM 170 C1' C A 6 6.597 -1.083 3.137 1.00 0.00 C ATOM 171 N1 C A 6 6.480 -2.240 2.235 1.00 0.00 N ATOM 172 C2 C A 6 5.344 -3.049 2.316 1.00 0.00 C ATOM 173 O2 C A 6 4.469 -2.772 3.149 1.00 0.00 O ATOM 174 N3 C A 6 5.228 -4.111 1.486 1.00 0.00 N ATOM 175 C4 C A 6 6.195 -4.376 0.605 1.00 0.00 C ATOM 176 N4 C A 6 6.037 -5.432 -0.197 1.00 0.00 N ATOM 177 C5 C A 6 7.366 -3.571 0.505 1.00 0.00 C ATOM 178 C6 C A 6 7.466 -2.522 1.332 1.00 0.00 C ATOM 0 H5' C A 6 9.045 1.884 1.621 1.00 0.00 H new ATOM 0 H5'' C A 6 10.336 1.047 2.461 1.00 0.00 H new ATOM 0 H4' C A 6 8.250 1.315 3.718 1.00 0.00 H new ATOM 0 H3' C A 6 9.438 -1.445 3.344 1.00 0.00 H new ATOM 0 H2' C A 6 7.578 -2.388 4.653 1.00 0.00 H new ATOM 0 HO2' C A 6 6.093 -1.016 5.698 1.00 0.00 H new ATOM 0 H1' C A 6 5.596 -0.865 3.508 1.00 0.00 H new ATOM 0 H41 C A 6 6.756 -5.664 -0.882 1.00 0.00 H new ATOM 0 H42 C A 6 5.197 -6.006 -0.124 1.00 0.00 H new ATOM 0 H5 C A 6 8.143 -3.798 -0.210 1.00 0.00 H new ATOM 0 H6 C A 6 8.340 -1.889 1.284 1.00 0.00 H new ATOM 190 P A A 7 10.543 -1.427 5.748 1.00 0.00 P ATOM 191 OP1 A A 7 11.742 -0.712 6.255 1.00 0.00 O ATOM 192 OP2 A A 7 10.714 -2.602 4.856 1.00 0.00 O ATOM 193 O5' A A 7 9.673 -1.879 7.004 1.00 0.00 O ATOM 194 C5' A A 7 10.103 -2.949 7.842 1.00 0.00 C ATOM 195 C4' A A 7 9.434 -2.856 9.194 1.00 0.00 C ATOM 196 O4' A A 7 9.271 -1.450 9.533 1.00 0.00 O ATOM 197 C3' A A 7 8.035 -3.462 9.273 1.00 0.00 C ATOM 198 O3' A A 7 7.789 -4.038 10.552 1.00 0.00 O ATOM 199 C2' A A 7 7.125 -2.271 9.000 1.00 0.00 C ATOM 200 O2' A A 7 5.878 -2.420 9.652 1.00 0.00 O ATOM 201 C1' A A 7 7.899 -1.148 9.681 1.00 0.00 C ATOM 202 N9 A A 7 7.656 0.178 9.115 1.00 0.00 N ATOM 203 C8 A A 7 7.587 0.530 7.789 1.00 0.00 C ATOM 204 N7 A A 7 7.355 1.805 7.592 1.00 0.00 N ATOM 205 C5 A A 7 7.267 2.330 8.874 1.00 0.00 C ATOM 206 C6 A A 7 7.033 3.632 9.350 1.00 0.00 C ATOM 207 N6 A A 7 6.838 4.686 8.554 1.00 0.00 N ATOM 208 N1 A A 7 7.007 3.817 10.687 1.00 0.00 N ATOM 209 C2 A A 7 7.202 2.759 11.485 1.00 0.00 C ATOM 210 N3 A A 7 7.430 1.488 11.157 1.00 0.00 N ATOM 211 C4 A A 7 7.450 1.339 9.822 1.00 0.00 C ATOM 0 H5' A A 7 11.186 -2.914 7.961 1.00 0.00 H new ATOM 0 H5'' A A 7 9.864 -3.905 7.375 1.00 0.00 H new ATOM 0 H4' A A 7 10.081 -3.417 9.868 1.00 0.00 H new ATOM 0 H3' A A 7 7.880 -4.279 8.569 1.00 0.00 H new ATOM 0 H2' A A 7 6.907 -2.125 7.942 1.00 0.00 H new ATOM 0 HO2' A A 7 5.160 -2.121 9.056 1.00 0.00 H new ATOM 0 H1' A A 7 7.570 -1.100 10.719 1.00 0.00 H new ATOM 0 H8 A A 7 7.712 -0.178 6.983 1.00 0.00 H new ATOM 0 H61 A A 7 6.673 5.607 8.959 1.00 0.00 H new ATOM 0 H62 A A 7 6.854 4.570 7.541 1.00 0.00 H new ATOM 0 H2 A A 7 7.170 2.966 12.545 1.00 0.00 H new ATOM 223 P C A 8 7.405 -5.596 10.668 1.00 0.00 P ATOM 224 OP1 C A 8 6.869 -5.820 12.035 1.00 0.00 O ATOM 225 OP2 C A 8 8.563 -6.396 10.194 1.00 0.00 O ATOM 226 O5' C A 8 6.212 -5.779 9.628 1.00 0.00 O ATOM 227 C5' C A 8 4.876 -5.995 10.074 1.00 0.00 C ATOM 228 C4' C A 8 4.088 -6.734 9.017 1.00 0.00 C ATOM 229 O4' C A 8 4.509 -6.252 7.708 1.00 0.00 O ATOM 230 C3' C A 8 4.305 -8.246 8.982 1.00 0.00 C ATOM 231 O3' C A 8 3.131 -8.942 8.583 1.00 0.00 O ATOM 232 C2' C A 8 5.414 -8.404 7.951 1.00 0.00 C ATOM 233 O2' C A 8 5.352 -9.666 7.315 1.00 0.00 O ATOM 234 C1' C A 8 5.016 -7.330 6.948 1.00 0.00 C ATOM 235 N1 C A 8 6.128 -6.843 6.116 1.00 0.00 N ATOM 236 C2 C A 8 6.608 -7.661 5.091 1.00 0.00 C ATOM 237 O2 C A 8 6.076 -8.766 4.908 1.00 0.00 O ATOM 238 N3 C A 8 7.637 -7.228 4.327 1.00 0.00 N ATOM 239 C4 C A 8 8.182 -6.032 4.558 1.00 0.00 C ATOM 240 N4 C A 8 9.197 -5.646 3.782 1.00 0.00 N ATOM 241 C5 C A 8 7.710 -5.176 5.596 1.00 0.00 C ATOM 242 C6 C A 8 6.688 -5.616 6.341 1.00 0.00 C ATOM 0 H5' C A 8 4.399 -5.040 10.293 1.00 0.00 H new ATOM 0 H5'' C A 8 4.882 -6.568 11.001 1.00 0.00 H new ATOM 0 H4' C A 8 3.042 -6.547 9.261 1.00 0.00 H new ATOM 0 H3' C A 8 4.555 -8.660 9.959 1.00 0.00 H new ATOM 0 H2' C A 8 6.417 -8.324 8.370 1.00 0.00 H new ATOM 0 HO2' C A 8 5.620 -9.573 6.377 1.00 0.00 H new ATOM 0 H1' C A 8 4.292 -7.757 6.254 1.00 0.00 H new ATOM 0 H41 C A 8 9.636 -4.738 3.931 1.00 0.00 H new ATOM 0 H42 C A 8 9.533 -6.259 3.040 1.00 0.00 H new ATOM 0 H5 C A 8 8.159 -4.210 5.774 1.00 0.00 H new ATOM 0 H6 C A 8 6.300 -4.992 7.132 1.00 0.00 H new ATOM 254 P G A 9 1.914 -9.119 9.617 1.00 0.00 P ATOM 255 OP1 G A 9 2.086 -8.112 10.694 1.00 0.00 O ATOM 256 OP2 G A 9 1.808 -10.558 9.968 1.00 0.00 O ATOM 257 O5' G A 9 0.631 -8.721 8.760 1.00 0.00 O ATOM 258 C5' G A 9 0.449 -7.387 8.292 1.00 0.00 C ATOM 259 C4' G A 9 0.170 -6.466 9.455 1.00 0.00 C ATOM 260 O4' G A 9 1.419 -5.903 9.929 1.00 0.00 O ATOM 261 C3' G A 9 -0.686 -5.249 9.140 1.00 0.00 C ATOM 262 O3' G A 9 -2.073 -5.566 9.172 1.00 0.00 O ATOM 263 C2' G A 9 -0.293 -4.269 10.241 1.00 0.00 C ATOM 264 O2' G A 9 -0.982 -4.551 11.444 1.00 0.00 O ATOM 265 C1' G A 9 1.187 -4.603 10.440 1.00 0.00 C ATOM 266 N9 G A 9 2.091 -3.676 9.767 1.00 0.00 N ATOM 267 C8 G A 9 2.650 -2.541 10.298 1.00 0.00 C ATOM 268 N7 G A 9 3.418 -1.903 9.459 1.00 0.00 N ATOM 269 C5 G A 9 3.365 -2.667 8.301 1.00 0.00 C ATOM 270 C6 G A 9 3.999 -2.476 7.046 1.00 0.00 C ATOM 271 O6 G A 9 4.754 -1.563 6.697 1.00 0.00 O ATOM 272 N1 G A 9 3.675 -3.490 6.150 1.00 0.00 N ATOM 273 C2 G A 9 2.846 -4.550 6.424 1.00 0.00 C ATOM 274 N2 G A 9 2.657 -5.427 5.427 1.00 0.00 N ATOM 275 N3 G A 9 2.247 -4.738 7.589 1.00 0.00 N ATOM 276 C4 G A 9 2.550 -3.765 8.475 1.00 0.00 C ATOM 0 H5' G A 9 -0.378 -7.351 7.583 1.00 0.00 H new ATOM 0 H5'' G A 9 1.340 -7.055 7.760 1.00 0.00 H new ATOM 0 H4' G A 9 -0.359 -7.099 10.167 1.00 0.00 H new ATOM 0 H3' G A 9 -0.524 -4.849 8.139 1.00 0.00 H new ATOM 0 H2' G A 9 -0.511 -3.231 9.988 1.00 0.00 H new ATOM 0 HO2' G A 9 -1.822 -4.046 11.466 1.00 0.00 H new ATOM 0 H1' G A 9 1.393 -4.531 11.508 1.00 0.00 H new ATOM 0 H8 G A 9 2.472 -2.209 11.310 1.00 0.00 H new ATOM 0 H1 G A 9 4.085 -3.442 5.217 1.00 0.00 H new ATOM 0 H21 G A 9 2.052 -6.236 5.567 1.00 0.00 H new ATOM 0 H22 G A 9 3.118 -5.285 4.528 1.00 0.00 H new ATOM 288 P G A 10 -3.162 -4.384 9.142 1.00 0.00 P ATOM 289 OP1 G A 10 -2.875 -3.484 10.287 1.00 0.00 O ATOM 290 OP2 G A 10 -4.509 -4.996 9.010 1.00 0.00 O ATOM 291 O5' G A 10 -2.839 -3.594 7.797 1.00 0.00 O ATOM 292 C5' G A 10 -3.186 -2.220 7.654 1.00 0.00 C ATOM 293 C4' G A 10 -2.032 -1.345 8.087 1.00 0.00 C ATOM 294 O4' G A 10 -0.799 -2.092 7.919 1.00 0.00 O ATOM 295 C3' G A 10 -1.841 -0.076 7.268 1.00 0.00 C ATOM 296 O3' G A 10 -2.614 0.994 7.803 1.00 0.00 O ATOM 297 C2' G A 10 -0.341 0.176 7.379 1.00 0.00 C ATOM 298 O2' G A 10 -0.018 0.790 8.612 1.00 0.00 O ATOM 299 C1' G A 10 0.207 -1.250 7.389 1.00 0.00 C ATOM 300 N9 G A 10 0.571 -1.764 6.073 1.00 0.00 N ATOM 301 C8 G A 10 0.272 -3.006 5.570 1.00 0.00 C ATOM 302 N7 G A 10 0.737 -3.202 4.368 1.00 0.00 N ATOM 303 C5 G A 10 1.379 -2.012 4.052 1.00 0.00 C ATOM 304 C6 G A 10 2.071 -1.630 2.876 1.00 0.00 C ATOM 305 O6 G A 10 2.255 -2.284 1.847 1.00 0.00 O ATOM 306 N1 G A 10 2.576 -0.337 2.975 1.00 0.00 N ATOM 307 C2 G A 10 2.428 0.484 4.066 1.00 0.00 C ATOM 308 N2 G A 10 2.989 1.699 3.970 1.00 0.00 N ATOM 309 N3 G A 10 1.779 0.142 5.169 1.00 0.00 N ATOM 310 C4 G A 10 1.286 -1.113 5.094 1.00 0.00 C ATOM 0 H5' G A 10 -4.068 -1.995 8.254 1.00 0.00 H new ATOM 0 H5'' G A 10 -3.444 -2.008 6.616 1.00 0.00 H new ATOM 0 H4' G A 10 -2.263 -1.061 9.114 1.00 0.00 H new ATOM 0 H3' G A 10 -2.172 -0.163 6.233 1.00 0.00 H new ATOM 0 H2' G A 10 0.046 0.825 6.593 1.00 0.00 H new ATOM 0 HO2' G A 10 -0.812 1.236 8.973 1.00 0.00 H new ATOM 0 H1' G A 10 1.120 -1.234 7.984 1.00 0.00 H new ATOM 0 H8 G A 10 -0.293 -3.747 6.116 1.00 0.00 H new ATOM 0 H1 G A 10 3.095 0.029 2.177 1.00 0.00 H new ATOM 0 H21 G A 10 2.916 2.357 4.746 1.00 0.00 H new ATOM 0 H22 G A 10 3.489 1.964 3.121 1.00 0.00 H new ATOM 322 P U A 11 -3.500 1.911 6.824 1.00 0.00 P ATOM 323 OP1 U A 11 -4.374 2.755 7.677 1.00 0.00 O ATOM 324 OP2 U A 11 -4.108 1.042 5.784 1.00 0.00 O ATOM 325 O5' U A 11 -2.429 2.858 6.124 1.00 0.00 O ATOM 326 C5' U A 11 -1.764 3.879 6.861 1.00 0.00 C ATOM 327 C4' U A 11 -0.719 4.540 5.997 1.00 0.00 C ATOM 328 O4' U A 11 0.241 3.531 5.585 1.00 0.00 O ATOM 329 C3' U A 11 -1.239 5.138 4.698 1.00 0.00 C ATOM 330 O3' U A 11 -1.688 6.476 4.886 1.00 0.00 O ATOM 331 C2' U A 11 -0.023 5.055 3.784 1.00 0.00 C ATOM 332 O2' U A 11 0.896 6.095 4.060 1.00 0.00 O ATOM 333 C1' U A 11 0.594 3.731 4.229 1.00 0.00 C ATOM 334 N1 U A 11 0.128 2.570 3.456 1.00 0.00 N ATOM 335 C2 U A 11 0.653 2.390 2.190 1.00 0.00 C ATOM 336 O2 U A 11 1.464 3.154 1.697 1.00 0.00 O ATOM 337 N3 U A 11 0.192 1.281 1.524 1.00 0.00 N ATOM 338 C4 U A 11 -0.720 0.355 1.984 1.00 0.00 C ATOM 339 O4 U A 11 -1.033 -0.596 1.267 1.00 0.00 O ATOM 340 C5 U A 11 -1.220 0.616 3.297 1.00 0.00 C ATOM 341 C6 U A 11 -0.797 1.688 3.974 1.00 0.00 C ATOM 0 H5' U A 11 -1.297 3.453 7.749 1.00 0.00 H new ATOM 0 H5'' U A 11 -2.486 4.620 7.205 1.00 0.00 H new ATOM 0 H4' U A 11 -0.313 5.344 6.611 1.00 0.00 H new ATOM 0 H3' U A 11 -2.107 4.620 4.292 1.00 0.00 H new ATOM 0 H2' U A 11 -0.272 5.131 2.725 1.00 0.00 H new ATOM 0 HO2' U A 11 0.435 6.824 4.526 1.00 0.00 H new ATOM 0 H1' U A 11 1.670 3.802 4.073 1.00 0.00 H new ATOM 0 H3 U A 11 0.565 1.126 0.587 1.00 0.00 H new ATOM 0 H5 U A 11 -1.941 -0.054 3.743 1.00 0.00 H new ATOM 0 H6 U A 11 -1.194 1.870 4.962 1.00 0.00 H new ATOM 352 P A A 12 -2.875 7.056 3.969 1.00 0.00 P ATOM 353 OP1 A A 12 -3.248 8.385 4.517 1.00 0.00 O ATOM 354 OP2 A A 12 -3.914 6.005 3.824 1.00 0.00 O ATOM 355 O5' A A 12 -2.189 7.282 2.549 1.00 0.00 O ATOM 356 C5' A A 12 -1.225 8.313 2.359 1.00 0.00 C ATOM 357 C4' A A 12 -0.719 8.294 0.937 1.00 0.00 C ATOM 358 O4' A A 12 -0.078 7.015 0.683 1.00 0.00 O ATOM 359 C3' A A 12 -1.792 8.403 -0.137 1.00 0.00 C ATOM 360 O3' A A 12 -2.120 9.760 -0.417 1.00 0.00 O ATOM 361 C2' A A 12 -1.138 7.709 -1.324 1.00 0.00 C ATOM 362 O2' A A 12 -0.193 8.553 -1.954 1.00 0.00 O ATOM 363 C1' A A 12 -0.391 6.575 -0.626 1.00 0.00 C ATOM 364 N9 A A 12 -1.164 5.338 -0.526 1.00 0.00 N ATOM 365 C8 A A 12 -1.896 4.877 0.542 1.00 0.00 C ATOM 366 N7 A A 12 -2.474 3.721 0.325 1.00 0.00 N ATOM 367 C5 A A 12 -2.103 3.400 -0.973 1.00 0.00 C ATOM 368 C6 A A 12 -2.394 2.298 -1.794 1.00 0.00 C ATOM 369 N6 A A 12 -3.159 1.273 -1.413 1.00 0.00 N ATOM 370 N1 A A 12 -1.866 2.285 -3.038 1.00 0.00 N ATOM 371 C2 A A 12 -1.101 3.315 -3.420 1.00 0.00 C ATOM 372 N3 A A 12 -0.757 4.407 -2.740 1.00 0.00 N ATOM 373 C4 A A 12 -1.297 4.388 -1.509 1.00 0.00 C ATOM 0 H5' A A 12 -0.394 8.176 3.051 1.00 0.00 H new ATOM 0 H5'' A A 12 -1.670 9.283 2.582 1.00 0.00 H new ATOM 0 H4' A A 12 -0.065 9.163 0.870 1.00 0.00 H new ATOM 0 H3' A A 12 -2.744 7.955 0.148 1.00 0.00 H new ATOM 0 H2' A A 12 -1.847 7.407 -2.095 1.00 0.00 H new ATOM 0 HO2' A A 12 -0.398 9.488 -1.743 1.00 0.00 H new ATOM 0 H1' A A 12 0.493 6.345 -1.220 1.00 0.00 H new ATOM 0 H8 A A 12 -1.986 5.417 1.473 1.00 0.00 H new ATOM 0 H61 A A 12 -3.334 0.501 -2.056 1.00 0.00 H new ATOM 0 H62 A A 12 -3.569 1.262 -0.479 1.00 0.00 H new ATOM 0 H2 A A 12 -0.706 3.251 -4.423 1.00 0.00 H new ATOM 385 P C A 13 -3.585 10.130 -0.970 1.00 0.00 P ATOM 386 OP1 C A 13 -3.695 11.611 -0.975 1.00 0.00 O ATOM 387 OP2 C A 13 -4.586 9.323 -0.227 1.00 0.00 O ATOM 388 O5' C A 13 -3.564 9.632 -2.483 1.00 0.00 O ATOM 389 C5' C A 13 -2.792 10.315 -3.466 1.00 0.00 C ATOM 390 C4' C A 13 -2.951 9.646 -4.811 1.00 0.00 C ATOM 391 O4' C A 13 -2.446 8.287 -4.727 1.00 0.00 O ATOM 392 C3' C A 13 -4.383 9.480 -5.296 1.00 0.00 C ATOM 393 O3' C A 13 -4.863 10.654 -5.941 1.00 0.00 O ATOM 394 C2' C A 13 -4.267 8.303 -6.256 1.00 0.00 C ATOM 395 O2' C A 13 -3.730 8.708 -7.500 1.00 0.00 O ATOM 396 C1' C A 13 -3.234 7.434 -5.539 1.00 0.00 C ATOM 397 N1 C A 13 -3.831 6.398 -4.683 1.00 0.00 N ATOM 398 C2 C A 13 -4.144 5.158 -5.245 1.00 0.00 C ATOM 399 O2 C A 13 -3.920 4.973 -6.451 1.00 0.00 O ATOM 400 N3 C A 13 -4.680 4.194 -4.462 1.00 0.00 N ATOM 401 C4 C A 13 -4.906 4.434 -3.169 1.00 0.00 C ATOM 402 N4 C A 13 -5.434 3.453 -2.435 1.00 0.00 N ATOM 403 C5 C A 13 -4.601 5.692 -2.571 1.00 0.00 C ATOM 404 C6 C A 13 -4.074 6.637 -3.360 1.00 0.00 C ATOM 0 H5' C A 13 -1.741 10.319 -3.176 1.00 0.00 H new ATOM 0 H5'' C A 13 -3.109 11.356 -3.530 1.00 0.00 H new ATOM 0 H4' C A 13 -2.418 10.303 -5.498 1.00 0.00 H new ATOM 0 H3' C A 13 -5.099 9.310 -4.492 1.00 0.00 H new ATOM 0 H2' C A 13 -5.223 7.824 -6.470 1.00 0.00 H new ATOM 0 HO2' C A 13 -3.770 9.685 -7.571 1.00 0.00 H new ATOM 0 H1' C A 13 -2.650 6.917 -6.301 1.00 0.00 H new ATOM 0 H41 C A 13 -5.620 3.602 -1.443 1.00 0.00 H new ATOM 0 H42 C A 13 -5.652 2.554 -2.866 1.00 0.00 H new ATOM 0 H5 C A 13 -4.788 5.875 -1.523 1.00 0.00 H new ATOM 0 H6 C A 13 -3.837 7.605 -2.943 1.00 0.00 H new ATOM 416 P C A 14 -6.432 11.000 -5.903 1.00 0.00 P ATOM 417 OP1 C A 14 -6.618 12.297 -6.601 1.00 0.00 O ATOM 418 OP2 C A 14 -6.911 10.843 -4.506 1.00 0.00 O ATOM 419 O5' C A 14 -7.100 9.859 -6.793 1.00 0.00 O ATOM 420 C5' C A 14 -6.849 9.783 -8.193 1.00 0.00 C ATOM 421 C4' C A 14 -7.570 8.597 -8.788 1.00 0.00 C ATOM 422 O4' C A 14 -7.004 7.375 -8.250 1.00 0.00 O ATOM 423 C3' C A 14 -9.050 8.494 -8.453 1.00 0.00 C ATOM 424 O3' C A 14 -9.858 9.308 -9.307 1.00 0.00 O ATOM 425 C2' C A 14 -9.327 7.006 -8.637 1.00 0.00 C ATOM 426 O2' C A 14 -9.498 6.684 -10.003 1.00 0.00 O ATOM 427 C1' C A 14 -8.014 6.386 -8.155 1.00 0.00 C ATOM 428 N1 C A 14 -8.063 5.907 -6.764 1.00 0.00 N ATOM 429 C2 C A 14 -8.432 4.581 -6.520 1.00 0.00 C ATOM 430 O2 C A 14 -8.710 3.850 -7.482 1.00 0.00 O ATOM 431 N3 C A 14 -8.477 4.131 -5.245 1.00 0.00 N ATOM 432 C4 C A 14 -8.170 4.952 -4.237 1.00 0.00 C ATOM 433 N4 C A 14 -8.225 4.466 -2.995 1.00 0.00 N ATOM 434 C5 C A 14 -7.791 6.308 -4.458 1.00 0.00 C ATOM 435 C6 C A 14 -7.753 6.740 -5.725 1.00 0.00 C ATOM 0 H5' C A 14 -5.778 9.695 -8.374 1.00 0.00 H new ATOM 0 H5'' C A 14 -7.180 10.701 -8.680 1.00 0.00 H new ATOM 0 H4' C A 14 -7.455 8.733 -9.863 1.00 0.00 H new ATOM 0 H3' C A 14 -9.291 8.855 -7.453 1.00 0.00 H new ATOM 0 H2' C A 14 -10.225 6.671 -8.118 1.00 0.00 H new ATOM 0 HO2' C A 14 -9.652 7.505 -10.516 1.00 0.00 H new ATOM 0 HO3' C A 14 -10.800 9.209 -9.057 1.00 0.00 H new ATOM 0 H1' C A 14 -7.815 5.518 -8.783 1.00 0.00 H new ATOM 0 H41 C A 14 -7.997 5.066 -2.202 1.00 0.00 H new ATOM 0 H42 C A 14 -8.495 3.495 -2.839 1.00 0.00 H new ATOM 0 H5 C A 14 -7.544 6.962 -3.635 1.00 0.00 H new ATOM 0 H6 C A 14 -7.473 7.763 -5.929 1.00 0.00 H new TER 448 C A 14