USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 172 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 42 G O2' : rot -3:sc= -0.434 USER MOD Single : A 42 G O5' : rot 180:sc=-0.00238 USER MOD Single : A 43 A O2' : rot 180:sc= -0.217 USER MOD Single : A 44 U O2' : rot -10:sc= -0.0621 USER MOD Single : A 45 C O2' : rot 0:sc= -0.74 USER MOD Single : A 46 U O2' : rot -11:sc= -0.0357 USER MOD Single : A 47 C O2' : rot -134:sc= -2.6! USER MOD Single : A 48 U O2' : rot -111:sc= -6.73! USER MOD Single : A 49 U O2' : rot -50:sc= 0.623 USER MOD Single : A 50 G O2' : rot -4:sc= -4.98! USER MOD Single : A 51 U O2' : rot 180:sc= -3.52! USER MOD Single : A 52 A O2' : rot -1:sc= -0.438 USER MOD Single : A 53 G O2' : rot 180:sc= -0.374 USER MOD Single : A 54 A O2' : rot -3:sc= -1.76! USER MOD Single : A 55 U O2' : rot -4:sc= -0.859 USER MOD Single : A 56 C O2' : rot 10:sc= -1.97! USER MOD Single : A 57 A O2' : rot -20:sc= 0.204 USER MOD Single : A 57 A O3' : rot 180:sc= 0.207 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 42 6.797 -3.730 9.597 1.00 0.00 O ATOM 2 C5' G A 42 7.738 -3.216 10.542 1.00 0.00 C ATOM 3 C4' G A 42 8.584 -2.106 9.936 1.00 0.00 C ATOM 4 O4' G A 42 9.440 -2.611 8.913 1.00 0.00 O ATOM 5 C3' G A 42 7.785 -0.984 9.299 1.00 0.00 C ATOM 6 O3' G A 42 7.358 -0.047 10.296 1.00 0.00 O ATOM 7 C2' G A 42 8.814 -0.373 8.379 1.00 0.00 C ATOM 8 O2' G A 42 9.696 0.508 9.085 1.00 0.00 O ATOM 9 C1' G A 42 9.543 -1.615 7.883 1.00 0.00 C ATOM 10 N9 G A 42 8.969 -2.200 6.662 1.00 0.00 N ATOM 11 C8 G A 42 8.112 -3.260 6.555 1.00 0.00 C ATOM 12 N7 G A 42 7.788 -3.556 5.328 1.00 0.00 N ATOM 13 C5 G A 42 8.481 -2.622 4.564 1.00 0.00 C ATOM 14 C6 G A 42 8.518 -2.449 3.155 1.00 0.00 C ATOM 15 O6 G A 42 7.938 -3.109 2.297 1.00 0.00 O ATOM 16 N1 G A 42 9.339 -1.386 2.791 1.00 0.00 N ATOM 17 C2 G A 42 10.040 -0.591 3.680 1.00 0.00 C ATOM 18 N2 G A 42 10.780 0.384 3.154 1.00 0.00 N ATOM 19 N3 G A 42 10.005 -0.758 5.006 1.00 0.00 N ATOM 20 C4 G A 42 9.208 -1.787 5.374 1.00 0.00 C ATOM 0 H5' G A 42 8.386 -4.022 10.888 1.00 0.00 H new ATOM 0 H5'' G A 42 7.208 -2.836 11.415 1.00 0.00 H new ATOM 0 H4' G A 42 9.139 -1.710 10.786 1.00 0.00 H new ATOM 0 H3' G A 42 6.874 -1.303 8.793 1.00 0.00 H new ATOM 0 H2' G A 42 8.393 0.245 7.586 1.00 0.00 H new ATOM 0 HO2' G A 42 9.413 0.574 10.021 1.00 0.00 H new ATOM 0 HO5' G A 42 6.270 -4.442 10.015 1.00 0.00 H new ATOM 0 H1' G A 42 10.565 -1.315 7.652 1.00 0.00 H new ATOM 0 H8 G A 42 7.737 -3.803 7.410 1.00 0.00 H new ATOM 0 H1 G A 42 9.431 -1.178 1.797 1.00 0.00 H new ATOM 0 H21 G A 42 11.318 1.001 3.763 1.00 0.00 H new ATOM 0 H22 G A 42 10.809 0.513 2.143 1.00 0.00 H new ATOM 33 P A A 43 6.025 0.838 10.087 1.00 0.00 P ATOM 34 OP1 A A 43 5.786 1.610 11.327 1.00 0.00 O ATOM 35 OP2 A A 43 4.964 -0.045 9.553 1.00 0.00 O ATOM 36 O5' A A 43 6.449 1.873 8.925 1.00 0.00 O ATOM 37 C5' A A 43 7.466 2.850 9.158 1.00 0.00 C ATOM 38 C4' A A 43 7.811 3.625 7.886 1.00 0.00 C ATOM 39 O4' A A 43 8.403 2.757 6.911 1.00 0.00 O ATOM 40 C3' A A 43 6.630 4.272 7.180 1.00 0.00 C ATOM 41 O3' A A 43 6.293 5.520 7.806 1.00 0.00 O ATOM 42 C2' A A 43 7.197 4.484 5.796 1.00 0.00 C ATOM 43 O2' A A 43 8.043 5.639 5.742 1.00 0.00 O ATOM 44 C1' A A 43 7.989 3.197 5.601 1.00 0.00 C ATOM 45 N9 A A 43 7.198 2.113 4.985 1.00 0.00 N ATOM 46 C8 A A 43 6.530 1.078 5.589 1.00 0.00 C ATOM 47 N7 A A 43 5.906 0.292 4.754 1.00 0.00 N ATOM 48 C5 A A 43 6.179 0.847 3.509 1.00 0.00 C ATOM 49 C6 A A 43 5.804 0.487 2.204 1.00 0.00 C ATOM 50 N6 A A 43 5.043 -0.574 1.923 1.00 0.00 N ATOM 51 N1 A A 43 6.246 1.264 1.205 1.00 0.00 N ATOM 52 C2 A A 43 7.008 2.314 1.483 1.00 0.00 C ATOM 53 N3 A A 43 7.428 2.752 2.656 1.00 0.00 N ATOM 54 C4 A A 43 6.966 1.957 3.642 1.00 0.00 C ATOM 0 H5' A A 43 8.362 2.359 9.538 1.00 0.00 H new ATOM 0 H5'' A A 43 7.132 3.545 9.928 1.00 0.00 H new ATOM 0 H4' A A 43 8.482 4.407 8.242 1.00 0.00 H new ATOM 0 H3' A A 43 5.710 3.687 7.196 1.00 0.00 H new ATOM 0 H2' A A 43 6.445 4.667 5.028 1.00 0.00 H new ATOM 0 HO2' A A 43 8.394 5.745 4.833 1.00 0.00 H new ATOM 0 H1' A A 43 8.822 3.408 4.930 1.00 0.00 H new ATOM 0 H8 A A 43 6.521 0.927 6.658 1.00 0.00 H new ATOM 0 H61 A A 43 4.802 -0.787 0.955 1.00 0.00 H new ATOM 0 H62 A A 43 4.703 -1.171 2.676 1.00 0.00 H new ATOM 0 H2 A A 43 7.330 2.892 0.630 1.00 0.00 H new ATOM 66 P U A 44 4.788 6.107 7.736 1.00 0.00 P ATOM 67 OP1 U A 44 4.725 7.312 8.593 1.00 0.00 O ATOM 68 OP2 U A 44 3.847 4.989 7.971 1.00 0.00 O ATOM 69 O5' U A 44 4.635 6.577 6.198 1.00 0.00 O ATOM 70 C5' U A 44 5.427 7.658 5.695 1.00 0.00 C ATOM 71 C4' U A 44 5.254 7.859 4.186 1.00 0.00 C ATOM 72 O4' U A 44 5.762 6.730 3.475 1.00 0.00 O ATOM 73 C3' U A 44 3.824 8.020 3.698 1.00 0.00 C ATOM 74 O3' U A 44 3.369 9.369 3.883 1.00 0.00 O ATOM 75 C2' U A 44 3.995 7.709 2.224 1.00 0.00 C ATOM 76 O2' U A 44 4.526 8.830 1.507 1.00 0.00 O ATOM 77 C1' U A 44 4.986 6.555 2.272 1.00 0.00 C ATOM 78 N1 U A 44 4.335 5.236 2.344 1.00 0.00 N ATOM 79 C2 U A 44 3.945 4.656 1.156 1.00 0.00 C ATOM 80 O2 U A 44 4.139 5.198 0.070 1.00 0.00 O ATOM 81 N3 U A 44 3.321 3.430 1.257 1.00 0.00 N ATOM 82 C4 U A 44 3.056 2.739 2.425 1.00 0.00 C ATOM 83 O4 U A 44 2.501 1.644 2.392 1.00 0.00 O ATOM 84 C5 U A 44 3.494 3.421 3.621 1.00 0.00 C ATOM 85 C6 U A 44 4.106 4.627 3.547 1.00 0.00 C ATOM 0 H5' U A 44 6.477 7.468 5.915 1.00 0.00 H new ATOM 0 H5'' U A 44 5.154 8.577 6.214 1.00 0.00 H new ATOM 0 H4' U A 44 5.792 8.788 3.997 1.00 0.00 H new ATOM 0 H3' U A 44 3.094 7.397 4.215 1.00 0.00 H new ATOM 0 H2' U A 44 3.064 7.474 1.708 1.00 0.00 H new ATOM 0 HO2' U A 44 4.519 9.621 2.085 1.00 0.00 H new ATOM 0 H1' U A 44 5.581 6.572 1.359 1.00 0.00 H new ATOM 0 H3 U A 44 3.026 2.990 0.385 1.00 0.00 H new ATOM 0 H5 U A 44 3.331 2.964 4.586 1.00 0.00 H new ATOM 0 H6 U A 44 4.420 5.118 4.457 1.00 0.00 H new ATOM 96 P C A 45 1.797 9.690 4.088 1.00 0.00 P ATOM 97 OP1 C A 45 1.658 11.134 4.381 1.00 0.00 O ATOM 98 OP2 C A 45 1.242 8.693 5.030 1.00 0.00 O ATOM 99 O5' C A 45 1.163 9.412 2.629 1.00 0.00 O ATOM 100 C5' C A 45 1.513 10.234 1.513 1.00 0.00 C ATOM 101 C4' C A 45 0.938 9.694 0.200 1.00 0.00 C ATOM 102 O4' C A 45 1.532 8.437 -0.122 1.00 0.00 O ATOM 103 C3' C A 45 -0.559 9.435 0.184 1.00 0.00 C ATOM 104 O3' C A 45 -1.287 10.642 -0.059 1.00 0.00 O ATOM 105 C2' C A 45 -0.685 8.499 -0.997 1.00 0.00 C ATOM 106 O2' C A 45 -0.683 9.213 -2.239 1.00 0.00 O ATOM 107 C1' C A 45 0.564 7.643 -0.839 1.00 0.00 C ATOM 108 N1 C A 45 0.322 6.415 -0.064 1.00 0.00 N ATOM 109 C2 C A 45 -0.189 5.327 -0.745 1.00 0.00 C ATOM 110 O2 C A 45 -0.435 5.417 -1.949 1.00 0.00 O ATOM 111 N3 C A 45 -0.416 4.179 -0.046 1.00 0.00 N ATOM 112 C4 C A 45 -0.148 4.104 1.263 1.00 0.00 C ATOM 113 N4 C A 45 -0.377 2.962 1.912 1.00 0.00 N ATOM 114 C5 C A 45 0.377 5.231 1.969 1.00 0.00 C ATOM 115 C6 C A 45 0.588 6.361 1.271 1.00 0.00 C ATOM 0 H5' C A 45 2.598 10.296 1.435 1.00 0.00 H new ATOM 0 H5'' C A 45 1.147 11.247 1.680 1.00 0.00 H new ATOM 0 H4' C A 45 1.159 10.492 -0.509 1.00 0.00 H new ATOM 0 H3' C A 45 -0.951 9.041 1.122 1.00 0.00 H new ATOM 0 H2' C A 45 -1.614 7.929 -1.015 1.00 0.00 H new ATOM 0 HO2' C A 45 -0.595 10.173 -2.064 1.00 0.00 H new ATOM 0 H1' C A 45 0.902 7.343 -1.831 1.00 0.00 H new ATOM 0 H41 C A 45 -0.176 2.893 2.910 1.00 0.00 H new ATOM 0 H42 C A 45 -0.753 2.157 1.411 1.00 0.00 H new ATOM 0 H5 C A 45 0.596 5.177 3.025 1.00 0.00 H new ATOM 0 H6 C A 45 0.973 7.236 1.775 1.00 0.00 H new ATOM 127 P U A 46 -2.802 10.813 0.471 1.00 0.00 P ATOM 128 OP1 U A 46 -3.241 12.196 0.176 1.00 0.00 O ATOM 129 OP2 U A 46 -2.868 10.299 1.857 1.00 0.00 O ATOM 130 O5' U A 46 -3.635 9.806 -0.481 1.00 0.00 O ATOM 131 C5' U A 46 -3.728 10.053 -1.887 1.00 0.00 C ATOM 132 C4' U A 46 -4.444 8.924 -2.639 1.00 0.00 C ATOM 133 O4' U A 46 -3.686 7.712 -2.563 1.00 0.00 O ATOM 134 C3' U A 46 -5.815 8.556 -2.106 1.00 0.00 C ATOM 135 O3' U A 46 -6.800 9.479 -2.597 1.00 0.00 O ATOM 136 C2' U A 46 -6.000 7.183 -2.725 1.00 0.00 C ATOM 137 O2' U A 46 -6.396 7.272 -4.098 1.00 0.00 O ATOM 138 C1' U A 46 -4.601 6.592 -2.581 1.00 0.00 C ATOM 139 N1 U A 46 -4.423 5.835 -1.326 1.00 0.00 N ATOM 140 C2 U A 46 -4.824 4.510 -1.314 1.00 0.00 C ATOM 141 O2 U A 46 -5.273 3.953 -2.311 1.00 0.00 O ATOM 142 N3 U A 46 -4.686 3.844 -0.112 1.00 0.00 N ATOM 143 C4 U A 46 -4.189 4.376 1.063 1.00 0.00 C ATOM 144 O4 U A 46 -4.110 3.687 2.076 1.00 0.00 O ATOM 145 C5 U A 46 -3.795 5.762 0.962 1.00 0.00 C ATOM 146 C6 U A 46 -3.923 6.438 -0.204 1.00 0.00 C ATOM 0 H5' U A 46 -2.726 10.179 -2.297 1.00 0.00 H new ATOM 0 H5'' U A 46 -4.260 10.990 -2.053 1.00 0.00 H new ATOM 0 H4' U A 46 -4.548 9.322 -3.648 1.00 0.00 H new ATOM 0 H3' U A 46 -5.910 8.575 -1.020 1.00 0.00 H new ATOM 0 H2' U A 46 -6.783 6.588 -2.256 1.00 0.00 H new ATOM 0 HO2' U A 46 -6.632 8.199 -4.311 1.00 0.00 H new ATOM 0 H1' U A 46 -4.426 5.898 -3.403 1.00 0.00 H new ATOM 0 H3 U A 46 -4.979 2.867 -0.089 1.00 0.00 H new ATOM 0 H5 U A 46 -3.393 6.266 1.828 1.00 0.00 H new ATOM 0 H6 U A 46 -3.624 7.475 -0.250 1.00 0.00 H new ATOM 157 P C A 47 -8.145 9.778 -1.752 1.00 0.00 P ATOM 158 OP1 C A 47 -8.876 10.874 -2.427 1.00 0.00 O ATOM 159 OP2 C A 47 -7.770 9.917 -0.327 1.00 0.00 O ATOM 160 O5' C A 47 -9.012 8.428 -1.911 1.00 0.00 O ATOM 161 C5' C A 47 -9.525 8.053 -3.192 1.00 0.00 C ATOM 162 C4' C A 47 -10.195 6.680 -3.168 1.00 0.00 C ATOM 163 O4' C A 47 -9.240 5.667 -2.924 1.00 0.00 O ATOM 164 C3' C A 47 -11.265 6.493 -2.113 1.00 0.00 C ATOM 165 O3' C A 47 -12.496 7.058 -2.585 1.00 0.00 O ATOM 166 C2' C A 47 -11.345 4.975 -2.026 1.00 0.00 C ATOM 167 O2' C A 47 -12.236 4.443 -3.010 1.00 0.00 O ATOM 168 C1' C A 47 -9.893 4.549 -2.298 1.00 0.00 C ATOM 169 N1 C A 47 -9.129 4.254 -1.083 1.00 0.00 N ATOM 170 C2 C A 47 -9.205 2.977 -0.567 1.00 0.00 C ATOM 171 O2 C A 47 -9.892 2.130 -1.135 1.00 0.00 O ATOM 172 N3 C A 47 -8.502 2.700 0.568 1.00 0.00 N ATOM 173 C4 C A 47 -7.763 3.649 1.165 1.00 0.00 C ATOM 174 N4 C A 47 -7.084 3.355 2.270 1.00 0.00 N ATOM 175 C5 C A 47 -7.695 4.972 0.631 1.00 0.00 C ATOM 176 C6 C A 47 -8.394 5.227 -0.487 1.00 0.00 C ATOM 0 H5' C A 47 -8.713 8.046 -3.919 1.00 0.00 H new ATOM 0 H5'' C A 47 -10.245 8.800 -3.526 1.00 0.00 H new ATOM 0 H4' C A 47 -10.664 6.613 -4.150 1.00 0.00 H new ATOM 0 H3' C A 47 -11.063 6.968 -1.153 1.00 0.00 H new ATOM 0 H2' C A 47 -11.732 4.615 -1.072 1.00 0.00 H new ATOM 0 HO2' C A 47 -12.824 3.779 -2.594 1.00 0.00 H new ATOM 0 H1' C A 47 -9.926 3.643 -2.904 1.00 0.00 H new ATOM 0 H41 C A 47 -6.521 4.071 2.728 1.00 0.00 H new ATOM 0 H42 C A 47 -7.126 2.413 2.659 1.00 0.00 H new ATOM 0 H5 C A 47 -7.103 5.739 1.109 1.00 0.00 H new ATOM 0 H6 C A 47 -8.371 6.218 -0.917 1.00 0.00 H new ATOM 188 P U A 48 -13.612 7.635 -1.570 1.00 0.00 P ATOM 189 OP1 U A 48 -14.661 8.300 -2.375 1.00 0.00 O ATOM 190 OP2 U A 48 -12.915 8.393 -0.507 1.00 0.00 O ATOM 191 O5' U A 48 -14.259 6.319 -0.899 1.00 0.00 O ATOM 192 C5' U A 48 -15.645 6.334 -0.526 1.00 0.00 C ATOM 193 C4' U A 48 -16.131 4.980 -0.016 1.00 0.00 C ATOM 194 O4' U A 48 -16.145 4.035 -1.090 1.00 0.00 O ATOM 195 C3' U A 48 -15.274 4.400 1.107 1.00 0.00 C ATOM 196 O3' U A 48 -16.144 3.742 2.046 1.00 0.00 O ATOM 197 C2' U A 48 -14.423 3.377 0.372 1.00 0.00 C ATOM 198 O2' U A 48 -14.027 2.300 1.222 1.00 0.00 O ATOM 199 C1' U A 48 -15.356 2.907 -0.722 1.00 0.00 C ATOM 200 N1 U A 48 -14.677 2.422 -1.933 1.00 0.00 N ATOM 201 C2 U A 48 -14.253 1.108 -1.946 1.00 0.00 C ATOM 202 O2 U A 48 -14.426 0.355 -0.990 1.00 0.00 O ATOM 203 N3 U A 48 -13.620 0.687 -3.101 1.00 0.00 N ATOM 204 C4 U A 48 -13.380 1.457 -4.227 1.00 0.00 C ATOM 205 O4 U A 48 -12.805 0.978 -5.202 1.00 0.00 O ATOM 206 C5 U A 48 -13.858 2.817 -4.122 1.00 0.00 C ATOM 207 C6 U A 48 -14.480 3.250 -2.999 1.00 0.00 C ATOM 0 H5' U A 48 -16.245 6.631 -1.386 1.00 0.00 H new ATOM 0 H5'' U A 48 -15.801 7.086 0.247 1.00 0.00 H new ATOM 0 H4' U A 48 -17.129 5.156 0.385 1.00 0.00 H new ATOM 0 H3' U A 48 -14.684 5.131 1.659 1.00 0.00 H new ATOM 0 H2' U A 48 -13.484 3.786 0.001 1.00 0.00 H new ATOM 0 HO2' U A 48 -13.061 2.345 1.379 1.00 0.00 H new ATOM 0 H1' U A 48 -15.928 2.065 -0.331 1.00 0.00 H new ATOM 0 H3 U A 48 -13.300 -0.281 -3.126 1.00 0.00 H new ATOM 0 H5 U A 48 -13.718 3.497 -4.949 1.00 0.00 H new ATOM 0 H6 U A 48 -14.827 4.271 -2.947 1.00 0.00 H new ATOM 218 P U A 49 -15.856 3.647 3.640 1.00 0.00 P ATOM 219 OP1 U A 49 -17.037 3.022 4.276 1.00 0.00 O ATOM 220 OP2 U A 49 -15.403 4.979 4.099 1.00 0.00 O ATOM 221 O5' U A 49 -14.618 2.627 3.793 1.00 0.00 O ATOM 222 C5' U A 49 -14.724 1.265 3.388 1.00 0.00 C ATOM 223 C4' U A 49 -13.412 0.513 3.609 1.00 0.00 C ATOM 224 O4' U A 49 -12.399 1.115 2.786 1.00 0.00 O ATOM 225 C3' U A 49 -12.892 0.557 5.047 1.00 0.00 C ATOM 226 O3' U A 49 -12.344 -0.727 5.360 1.00 0.00 O ATOM 227 C2' U A 49 -11.784 1.590 5.046 1.00 0.00 C ATOM 228 O2' U A 49 -10.720 1.215 5.928 1.00 0.00 O ATOM 229 C1' U A 49 -11.322 1.615 3.602 1.00 0.00 C ATOM 230 N1 U A 49 -10.968 2.972 3.139 1.00 0.00 N ATOM 231 C2 U A 49 -9.693 3.428 3.420 1.00 0.00 C ATOM 232 O2 U A 49 -8.866 2.734 4.009 1.00 0.00 O ATOM 233 N3 U A 49 -9.400 4.714 3.001 1.00 0.00 N ATOM 234 C4 U A 49 -10.259 5.570 2.335 1.00 0.00 C ATOM 235 O4 U A 49 -9.890 6.695 2.004 1.00 0.00 O ATOM 236 C5 U A 49 -11.568 5.012 2.085 1.00 0.00 C ATOM 237 C6 U A 49 -11.877 3.756 2.489 1.00 0.00 C ATOM 0 H5' U A 49 -14.999 1.218 2.334 1.00 0.00 H new ATOM 0 H5'' U A 49 -15.523 0.779 3.948 1.00 0.00 H new ATOM 0 H4' U A 49 -13.618 -0.528 3.362 1.00 0.00 H new ATOM 0 H3' U A 49 -13.669 0.802 5.771 1.00 0.00 H new ATOM 0 H2' U A 49 -12.117 2.566 5.399 1.00 0.00 H new ATOM 0 HO2' U A 49 -11.090 0.975 6.803 1.00 0.00 H new ATOM 0 H1' U A 49 -10.425 1.002 3.522 1.00 0.00 H new ATOM 0 H3 U A 49 -8.463 5.063 3.202 1.00 0.00 H new ATOM 0 H5 U A 49 -12.310 5.604 1.569 1.00 0.00 H new ATOM 0 H6 U A 49 -12.865 3.366 2.292 1.00 0.00 H new ATOM 248 P G A 50 -12.241 -1.268 6.872 1.00 0.00 P ATOM 249 OP1 G A 50 -13.599 -1.271 7.462 1.00 0.00 O ATOM 250 OP2 G A 50 -11.137 -0.554 7.552 1.00 0.00 O ATOM 251 O5' G A 50 -11.788 -2.793 6.630 1.00 0.00 O ATOM 252 C5' G A 50 -12.692 -3.726 6.029 1.00 0.00 C ATOM 253 C4' G A 50 -11.981 -4.646 5.051 1.00 0.00 C ATOM 254 O4' G A 50 -11.551 -3.923 3.903 1.00 0.00 O ATOM 255 C3' G A 50 -10.747 -5.326 5.590 1.00 0.00 C ATOM 256 O3' G A 50 -11.081 -6.518 6.282 1.00 0.00 O ATOM 257 C2' G A 50 -9.952 -5.625 4.348 1.00 0.00 C ATOM 258 O2' G A 50 -10.408 -6.822 3.706 1.00 0.00 O ATOM 259 C1' G A 50 -10.247 -4.393 3.509 1.00 0.00 C ATOM 260 N9 G A 50 -9.313 -3.274 3.719 1.00 0.00 N ATOM 261 C8 G A 50 -8.414 -3.069 4.732 1.00 0.00 C ATOM 262 N7 G A 50 -7.729 -1.969 4.617 1.00 0.00 N ATOM 263 C5 G A 50 -8.206 -1.404 3.441 1.00 0.00 C ATOM 264 C6 G A 50 -7.840 -0.192 2.807 1.00 0.00 C ATOM 265 O6 G A 50 -6.988 0.619 3.163 1.00 0.00 O ATOM 266 N1 G A 50 -8.576 0.016 1.644 1.00 0.00 N ATOM 267 C2 G A 50 -9.534 -0.851 1.149 1.00 0.00 C ATOM 268 N2 G A 50 -10.133 -0.500 0.012 1.00 0.00 N ATOM 269 N3 G A 50 -9.871 -1.992 1.747 1.00 0.00 N ATOM 270 C4 G A 50 -9.171 -2.200 2.883 1.00 0.00 C ATOM 0 H5' G A 50 -13.483 -3.184 5.510 1.00 0.00 H new ATOM 0 H5'' G A 50 -13.171 -4.321 6.806 1.00 0.00 H new ATOM 0 H4' G A 50 -12.729 -5.406 4.828 1.00 0.00 H new ATOM 0 H3' G A 50 -10.202 -4.716 6.311 1.00 0.00 H new ATOM 0 H2' G A 50 -8.891 -5.802 4.526 1.00 0.00 H new ATOM 0 HO2' G A 50 -11.104 -7.242 4.253 1.00 0.00 H new ATOM 0 H1' G A 50 -10.164 -4.690 2.464 1.00 0.00 H new ATOM 0 H8 G A 50 -8.285 -3.759 5.553 1.00 0.00 H new ATOM 0 H1 G A 50 -8.396 0.871 1.118 1.00 0.00 H new ATOM 0 H21 G A 50 -10.847 -1.104 -0.396 1.00 0.00 H new ATOM 0 H22 G A 50 -9.878 0.373 -0.451 1.00 0.00 H new ATOM 282 P U A 51 -9.920 -7.277 7.074 1.00 0.00 P ATOM 283 OP1 U A 51 -10.520 -8.384 7.851 1.00 0.00 O ATOM 284 OP2 U A 51 -9.065 -6.270 7.742 1.00 0.00 O ATOM 285 O5' U A 51 -9.105 -7.901 5.831 1.00 0.00 O ATOM 286 C5' U A 51 -7.756 -8.329 5.965 1.00 0.00 C ATOM 287 C4' U A 51 -7.275 -9.051 4.709 1.00 0.00 C ATOM 288 O4' U A 51 -8.025 -10.256 4.554 1.00 0.00 O ATOM 289 C3' U A 51 -7.416 -8.261 3.410 1.00 0.00 C ATOM 290 O3' U A 51 -6.279 -8.556 2.599 1.00 0.00 O ATOM 291 C2' U A 51 -8.672 -8.801 2.746 1.00 0.00 C ATOM 292 O2' U A 51 -8.482 -8.944 1.334 1.00 0.00 O ATOM 293 C1' U A 51 -8.886 -10.163 3.410 1.00 0.00 C ATOM 294 N1 U A 51 -10.276 -10.422 3.874 1.00 0.00 N ATOM 295 C2 U A 51 -10.847 -11.643 3.546 1.00 0.00 C ATOM 296 O2 U A 51 -10.247 -12.486 2.884 1.00 0.00 O ATOM 297 N3 U A 51 -12.133 -11.859 4.007 1.00 0.00 N ATOM 298 C4 U A 51 -12.891 -10.978 4.757 1.00 0.00 C ATOM 299 O4 U A 51 -14.029 -11.277 5.112 1.00 0.00 O ATOM 300 C5 U A 51 -12.222 -9.733 5.055 1.00 0.00 C ATOM 301 C6 U A 51 -10.962 -9.495 4.617 1.00 0.00 C ATOM 0 H5' U A 51 -7.667 -8.993 6.825 1.00 0.00 H new ATOM 0 H5'' U A 51 -7.117 -7.468 6.159 1.00 0.00 H new ATOM 0 H4' U A 51 -6.209 -9.218 4.865 1.00 0.00 H new ATOM 0 H3' U A 51 -7.478 -7.184 3.564 1.00 0.00 H new ATOM 0 H2' U A 51 -9.528 -8.138 2.867 1.00 0.00 H new ATOM 0 HO2' U A 51 -9.302 -9.294 0.927 1.00 0.00 H new ATOM 0 H1' U A 51 -8.665 -10.904 2.642 1.00 0.00 H new ATOM 0 H3 U A 51 -12.563 -12.753 3.771 1.00 0.00 H new ATOM 0 H5 U A 51 -12.734 -8.980 5.636 1.00 0.00 H new ATOM 0 H6 U A 51 -10.488 -8.555 4.858 1.00 0.00 H new ATOM 312 P A A 52 -5.129 -7.478 2.273 1.00 0.00 P ATOM 313 OP1 A A 52 -4.023 -8.180 1.585 1.00 0.00 O ATOM 314 OP2 A A 52 -4.856 -6.710 3.508 1.00 0.00 O ATOM 315 O5' A A 52 -5.828 -6.490 1.214 1.00 0.00 O ATOM 316 C5' A A 52 -6.795 -6.988 0.291 1.00 0.00 C ATOM 317 C4' A A 52 -7.149 -5.950 -0.767 1.00 0.00 C ATOM 318 O4' A A 52 -7.786 -4.796 -0.196 1.00 0.00 O ATOM 319 C3' A A 52 -5.933 -5.419 -1.499 1.00 0.00 C ATOM 320 O3' A A 52 -5.568 -6.337 -2.537 1.00 0.00 O ATOM 321 C2' A A 52 -6.465 -4.122 -2.070 1.00 0.00 C ATOM 322 O2' A A 52 -7.243 -4.349 -3.251 1.00 0.00 O ATOM 323 C1' A A 52 -7.329 -3.629 -0.917 1.00 0.00 C ATOM 324 N9 A A 52 -6.610 -2.768 0.039 1.00 0.00 N ATOM 325 C8 A A 52 -6.119 -3.084 1.280 1.00 0.00 C ATOM 326 N7 A A 52 -5.553 -2.080 1.893 1.00 0.00 N ATOM 327 C5 A A 52 -5.681 -1.026 0.991 1.00 0.00 C ATOM 328 C6 A A 52 -5.279 0.319 1.040 1.00 0.00 C ATOM 329 N6 A A 52 -4.645 0.852 2.080 1.00 0.00 N ATOM 330 N1 A A 52 -5.558 1.087 -0.027 1.00 0.00 N ATOM 331 C2 A A 52 -6.193 0.548 -1.062 1.00 0.00 C ATOM 332 N3 A A 52 -6.621 -0.694 -1.225 1.00 0.00 N ATOM 333 C4 A A 52 -6.325 -1.438 -0.139 1.00 0.00 C ATOM 0 H5' A A 52 -7.696 -7.281 0.830 1.00 0.00 H new ATOM 0 H5'' A A 52 -6.408 -7.885 -0.193 1.00 0.00 H new ATOM 0 H4' A A 52 -7.813 -6.480 -1.450 1.00 0.00 H new ATOM 0 H3' A A 52 -5.042 -5.286 -0.886 1.00 0.00 H new ATOM 0 H2' A A 52 -5.694 -3.419 -2.385 1.00 0.00 H new ATOM 0 HO2' A A 52 -7.252 -5.307 -3.458 1.00 0.00 H new ATOM 0 H1' A A 52 -8.136 -3.032 -1.343 1.00 0.00 H new ATOM 0 H8 A A 52 -6.194 -4.072 1.710 1.00 0.00 H new ATOM 0 H61 A A 52 -4.375 1.836 2.064 1.00 0.00 H new ATOM 0 H62 A A 52 -4.428 0.277 2.894 1.00 0.00 H new ATOM 0 H2 A A 52 -6.387 1.218 -1.887 1.00 0.00 H new ATOM 345 P G A 53 -4.044 -6.454 -3.048 1.00 0.00 P ATOM 346 OP1 G A 53 -3.967 -7.561 -4.027 1.00 0.00 O ATOM 347 OP2 G A 53 -3.157 -6.453 -1.864 1.00 0.00 O ATOM 348 O5' G A 53 -3.832 -5.072 -3.835 1.00 0.00 O ATOM 349 C5' G A 53 -4.573 -4.799 -5.022 1.00 0.00 C ATOM 350 C4' G A 53 -4.330 -3.376 -5.503 1.00 0.00 C ATOM 351 O4' G A 53 -4.830 -2.439 -4.547 1.00 0.00 O ATOM 352 C3' G A 53 -2.869 -3.012 -5.689 1.00 0.00 C ATOM 353 O3' G A 53 -2.389 -3.484 -6.952 1.00 0.00 O ATOM 354 C2' G A 53 -2.955 -1.498 -5.675 1.00 0.00 C ATOM 355 O2' G A 53 -3.419 -0.986 -6.930 1.00 0.00 O ATOM 356 C1' G A 53 -3.980 -1.279 -4.566 1.00 0.00 C ATOM 357 N9 G A 53 -3.366 -1.132 -3.236 1.00 0.00 N ATOM 358 C8 G A 53 -3.156 -2.078 -2.267 1.00 0.00 C ATOM 359 N7 G A 53 -2.553 -1.622 -1.205 1.00 0.00 N ATOM 360 C5 G A 53 -2.345 -0.277 -1.493 1.00 0.00 C ATOM 361 C6 G A 53 -1.725 0.736 -0.713 1.00 0.00 C ATOM 362 O6 G A 53 -1.240 0.636 0.416 1.00 0.00 O ATOM 363 N1 G A 53 -1.717 1.959 -1.381 1.00 0.00 N ATOM 364 C2 G A 53 -2.245 2.175 -2.642 1.00 0.00 C ATOM 365 N2 G A 53 -2.150 3.413 -3.132 1.00 0.00 N ATOM 366 N3 G A 53 -2.829 1.222 -3.368 1.00 0.00 N ATOM 367 C4 G A 53 -2.841 0.029 -2.734 1.00 0.00 C ATOM 0 H5' G A 53 -5.636 -4.946 -4.833 1.00 0.00 H new ATOM 0 H5'' G A 53 -4.288 -5.504 -5.803 1.00 0.00 H new ATOM 0 H4' G A 53 -4.837 -3.332 -6.467 1.00 0.00 H new ATOM 0 H3' G A 53 -2.192 -3.436 -4.947 1.00 0.00 H new ATOM 0 H2' G A 53 -2.002 -0.993 -5.514 1.00 0.00 H new ATOM 0 HO2' G A 53 -3.465 -0.008 -6.888 1.00 0.00 H new ATOM 0 H1' G A 53 -4.521 -0.355 -4.772 1.00 0.00 H new ATOM 0 H8 G A 53 -3.462 -3.108 -2.374 1.00 0.00 H new ATOM 0 H1 G A 53 -1.290 2.754 -0.905 1.00 0.00 H new ATOM 0 H21 G A 53 -2.523 3.625 -4.057 1.00 0.00 H new ATOM 0 H22 G A 53 -1.704 4.147 -2.581 1.00 0.00 H new ATOM 379 P A A 54 -0.832 -3.854 -7.153 1.00 0.00 P ATOM 380 OP1 A A 54 -0.658 -4.404 -8.516 1.00 0.00 O ATOM 381 OP2 A A 54 -0.386 -4.636 -5.978 1.00 0.00 O ATOM 382 O5' A A 54 -0.123 -2.412 -7.097 1.00 0.00 O ATOM 383 C5' A A 54 -0.383 -1.435 -8.101 1.00 0.00 C ATOM 384 C4' A A 54 0.258 -0.097 -7.751 1.00 0.00 C ATOM 385 O4' A A 54 -0.331 0.455 -6.567 1.00 0.00 O ATOM 386 C3' A A 54 1.746 -0.144 -7.454 1.00 0.00 C ATOM 387 O3' A A 54 2.513 -0.137 -8.656 1.00 0.00 O ATOM 388 C2' A A 54 1.937 1.166 -6.730 1.00 0.00 C ATOM 389 O2' A A 54 2.017 2.265 -7.644 1.00 0.00 O ATOM 390 C1' A A 54 0.678 1.233 -5.888 1.00 0.00 C ATOM 391 N9 A A 54 0.859 0.687 -4.532 1.00 0.00 N ATOM 392 C8 A A 54 0.531 -0.550 -4.040 1.00 0.00 C ATOM 393 N7 A A 54 0.818 -0.707 -2.777 1.00 0.00 N ATOM 394 C5 A A 54 1.380 0.512 -2.412 1.00 0.00 C ATOM 395 C6 A A 54 1.900 0.993 -1.202 1.00 0.00 C ATOM 396 N6 A A 54 1.932 0.272 -0.082 1.00 0.00 N ATOM 397 N1 A A 54 2.381 2.247 -1.195 1.00 0.00 N ATOM 398 C2 A A 54 2.348 2.962 -2.313 1.00 0.00 C ATOM 399 N3 A A 54 1.885 2.625 -3.503 1.00 0.00 N ATOM 400 C4 A A 54 1.409 1.364 -3.477 1.00 0.00 C ATOM 0 H5' A A 54 -1.459 -1.306 -8.216 1.00 0.00 H new ATOM 0 H5'' A A 54 0.000 -1.785 -9.060 1.00 0.00 H new ATOM 0 H4' A A 54 0.089 0.497 -8.649 1.00 0.00 H new ATOM 0 H3' A A 54 2.056 -1.033 -6.905 1.00 0.00 H new ATOM 0 H2' A A 54 2.860 1.224 -6.153 1.00 0.00 H new ATOM 0 HO2' A A 54 1.983 1.929 -8.564 1.00 0.00 H new ATOM 0 H1' A A 54 0.399 2.280 -5.773 1.00 0.00 H new ATOM 0 H8 A A 54 0.077 -1.323 -4.642 1.00 0.00 H new ATOM 0 H61 A A 54 2.322 0.672 0.771 1.00 0.00 H new ATOM 0 H62 A A 54 1.566 -0.680 -0.078 1.00 0.00 H new ATOM 0 H2 A A 54 2.757 3.959 -2.239 1.00 0.00 H new ATOM 412 P U A 55 3.985 -0.786 -8.696 1.00 0.00 P ATOM 413 OP1 U A 55 4.510 -0.676 -10.075 1.00 0.00 O ATOM 414 OP2 U A 55 3.936 -2.102 -8.021 1.00 0.00 O ATOM 415 O5' U A 55 4.798 0.239 -7.757 1.00 0.00 O ATOM 416 C5' U A 55 4.949 1.605 -8.131 1.00 0.00 C ATOM 417 C4' U A 55 5.598 2.423 -7.016 1.00 0.00 C ATOM 418 O4' U A 55 4.759 2.432 -5.859 1.00 0.00 O ATOM 419 C3' U A 55 6.925 1.890 -6.511 1.00 0.00 C ATOM 420 O3' U A 55 7.990 2.295 -7.379 1.00 0.00 O ATOM 421 C2' U A 55 7.042 2.599 -5.175 1.00 0.00 C ATOM 422 O2' U A 55 7.575 3.920 -5.326 1.00 0.00 O ATOM 423 C1' U A 55 5.591 2.631 -4.698 1.00 0.00 C ATOM 424 N1 U A 55 5.292 1.574 -3.713 1.00 0.00 N ATOM 425 C2 U A 55 5.620 1.836 -2.401 1.00 0.00 C ATOM 426 O2 U A 55 6.122 2.904 -2.056 1.00 0.00 O ATOM 427 N3 U A 55 5.355 0.829 -1.496 1.00 0.00 N ATOM 428 C4 U A 55 4.793 -0.400 -1.778 1.00 0.00 C ATOM 429 O4 U A 55 4.595 -1.216 -0.878 1.00 0.00 O ATOM 430 C5 U A 55 4.480 -0.593 -3.179 1.00 0.00 C ATOM 431 C6 U A 55 4.738 0.379 -4.087 1.00 0.00 C ATOM 0 H5' U A 55 3.973 2.027 -8.372 1.00 0.00 H new ATOM 0 H5'' U A 55 5.557 1.671 -9.033 1.00 0.00 H new ATOM 0 H4' U A 55 5.750 3.400 -7.474 1.00 0.00 H new ATOM 0 H3' U A 55 6.979 0.803 -6.453 1.00 0.00 H new ATOM 0 H2' U A 55 7.720 2.107 -4.478 1.00 0.00 H new ATOM 0 HO2' U A 55 7.817 4.070 -6.264 1.00 0.00 H new ATOM 0 H1' U A 55 5.405 3.586 -4.207 1.00 0.00 H new ATOM 0 H3 U A 55 5.598 1.010 -0.522 1.00 0.00 H new ATOM 0 H5 U A 55 4.036 -1.522 -3.504 1.00 0.00 H new ATOM 0 H6 U A 55 4.502 0.208 -5.127 1.00 0.00 H new ATOM 442 P C A 56 9.332 1.411 -7.519 1.00 0.00 P ATOM 443 OP1 C A 56 10.180 2.024 -8.566 1.00 0.00 O ATOM 444 OP2 C A 56 8.937 -0.011 -7.632 1.00 0.00 O ATOM 445 O5' C A 56 10.066 1.616 -6.097 1.00 0.00 O ATOM 446 C5' C A 56 10.559 2.897 -5.699 1.00 0.00 C ATOM 447 C4' C A 56 11.153 2.859 -4.290 1.00 0.00 C ATOM 448 O4' C A 56 10.150 2.581 -3.323 1.00 0.00 O ATOM 449 C3' C A 56 12.212 1.798 -4.072 1.00 0.00 C ATOM 450 O3' C A 56 13.472 2.274 -4.560 1.00 0.00 O ATOM 451 C2' C A 56 12.230 1.661 -2.558 1.00 0.00 C ATOM 452 O2' C A 56 13.165 2.567 -1.961 1.00 0.00 O ATOM 453 C1' C A 56 10.786 2.007 -2.165 1.00 0.00 C ATOM 454 N1 C A 56 9.987 0.837 -1.751 1.00 0.00 N ATOM 455 C2 C A 56 10.110 0.409 -0.438 1.00 0.00 C ATOM 456 O2 C A 56 10.869 0.997 0.329 1.00 0.00 O ATOM 457 N3 C A 56 9.374 -0.669 -0.037 1.00 0.00 N ATOM 458 C4 C A 56 8.556 -1.296 -0.897 1.00 0.00 C ATOM 459 N4 C A 56 7.846 -2.344 -0.483 1.00 0.00 N ATOM 460 C5 C A 56 8.434 -0.858 -2.251 1.00 0.00 C ATOM 461 C6 C A 56 9.164 0.205 -2.633 1.00 0.00 C ATOM 0 H5' C A 56 9.749 3.626 -5.734 1.00 0.00 H new ATOM 0 H5'' C A 56 11.319 3.231 -6.406 1.00 0.00 H new ATOM 0 H4' C A 56 11.601 3.847 -4.180 1.00 0.00 H new ATOM 0 H3' C A 56 12.020 0.855 -4.584 1.00 0.00 H new ATOM 0 H2' C A 56 12.542 0.672 -2.221 1.00 0.00 H new ATOM 0 HO2' C A 56 13.482 3.202 -2.637 1.00 0.00 H new ATOM 0 H1' C A 56 10.833 2.685 -1.313 1.00 0.00 H new ATOM 0 H41 C A 56 7.222 -2.825 -1.131 1.00 0.00 H new ATOM 0 H42 C A 56 7.926 -2.665 0.482 1.00 0.00 H new ATOM 0 H5 C A 56 7.778 -1.363 -2.944 1.00 0.00 H new ATOM 0 H6 C A 56 9.097 0.561 -3.650 1.00 0.00 H new ATOM 473 P A A 57 14.609 1.255 -5.074 1.00 0.00 P ATOM 474 OP1 A A 57 15.723 2.053 -5.636 1.00 0.00 O ATOM 475 OP2 A A 57 13.958 0.216 -5.903 1.00 0.00 O ATOM 476 O5' A A 57 15.125 0.562 -3.714 1.00 0.00 O ATOM 477 C5' A A 57 15.790 1.337 -2.713 1.00 0.00 C ATOM 478 C4' A A 57 16.151 0.494 -1.491 1.00 0.00 C ATOM 479 O4' A A 57 14.978 0.043 -0.823 1.00 0.00 O ATOM 480 C3' A A 57 16.945 -0.757 -1.810 1.00 0.00 C ATOM 481 O3' A A 57 18.337 -0.469 -1.981 1.00 0.00 O ATOM 482 C2' A A 57 16.683 -1.627 -0.591 1.00 0.00 C ATOM 483 O2' A A 57 17.676 -1.420 0.420 1.00 0.00 O ATOM 484 C1' A A 57 15.301 -1.168 -0.118 1.00 0.00 C ATOM 485 N9 A A 57 14.228 -2.145 -0.382 1.00 0.00 N ATOM 486 C8 A A 57 13.344 -2.194 -1.429 1.00 0.00 C ATOM 487 N7 A A 57 12.516 -3.201 -1.375 1.00 0.00 N ATOM 488 C5 A A 57 12.878 -3.867 -0.209 1.00 0.00 C ATOM 489 C6 A A 57 12.382 -5.023 0.418 1.00 0.00 C ATOM 490 N6 A A 57 11.369 -5.740 -0.069 1.00 0.00 N ATOM 491 N1 A A 57 12.973 -5.405 1.563 1.00 0.00 N ATOM 492 C2 A A 57 13.981 -4.686 2.042 1.00 0.00 C ATOM 493 N3 A A 57 14.534 -3.589 1.549 1.00 0.00 N ATOM 494 C4 A A 57 13.920 -3.231 0.402 1.00 0.00 C ATOM 0 H5' A A 57 15.149 2.164 -2.408 1.00 0.00 H new ATOM 0 H5'' A A 57 16.696 1.774 -3.134 1.00 0.00 H new ATOM 0 H4' A A 57 16.758 1.162 -0.879 1.00 0.00 H new ATOM 0 H3' A A 57 16.655 -1.234 -2.747 1.00 0.00 H new ATOM 0 H2' A A 57 16.722 -2.693 -0.814 1.00 0.00 H new ATOM 0 HO2' A A 57 18.476 -1.024 0.016 1.00 0.00 H new ATOM 0 HO3' A A 57 18.820 -1.297 -2.184 1.00 0.00 H new ATOM 0 H1' A A 57 15.356 -1.035 0.963 1.00 0.00 H new ATOM 0 H8 A A 57 13.334 -1.465 -2.226 1.00 0.00 H new ATOM 0 H61 A A 57 11.048 -6.572 0.427 1.00 0.00 H new ATOM 0 H62 A A 57 10.915 -5.457 -0.937 1.00 0.00 H new ATOM 0 H2 A A 57 14.411 -5.047 2.965 1.00 0.00 H new TER 507 A A 57