USER MOD reduce.3.24.130724 H: found=0, std=0, add=174, 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 8 C O2' : rot 180:sc= -1.02 USER MOD Single : A 8 C O5' : rot 180:sc= -0.659 USER MOD Single : A 9 C O2' : rot -14:sc= 0.103 USER MOD Single : A 10 G O2' : rot -126:sc= 1.21 USER MOD Single : A 11 U O2' : rot -165:sc= -1.14! USER MOD Single : A 12 U O2' : rot 142:sc= 0.914 USER MOD Single : A 13 G O2' : rot -22:sc= 0.193 USER MOD Single : A 14 A O2' : rot -19:sc= 0.11 USER MOD Single : A 15 A O2' : rot -106:sc= -1.89! USER MOD Single : A 16 U O2' : rot 22:sc= 0.207 USER MOD Single : A 17 C O2' : rot 76:sc= -0.871! USER MOD Single : A 18 U O2' : rot 165:sc= 0.634 USER MOD Single : A 19 C O2' : rot -70:sc= 0.446 USER MOD Single : A 20 A O2' : rot -172:sc= 0.779 USER MOD Single : A 21 C O2' : rot -27:sc= 0.117 USER MOD Single : A 22 G O2' : rot 180:sc= -0.297 USER MOD Single : A 23 G O2' : rot -19:sc= 0.121 USER MOD Single : A 23 G O3' : rot 180:sc= 0.123 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 8 -0.338 -2.092 -10.279 1.00 0.00 O ATOM 2 C5' C A 8 -0.429 -3.059 -11.324 1.00 0.00 C ATOM 3 C4' C A 8 0.568 -4.173 -11.098 1.00 0.00 C ATOM 4 O4' C A 8 1.907 -3.653 -11.310 1.00 0.00 O ATOM 5 C3' C A 8 0.602 -4.761 -9.693 1.00 0.00 C ATOM 6 O3' C A 8 -0.366 -5.791 -9.533 1.00 0.00 O ATOM 7 C2' C A 8 2.028 -5.286 -9.583 1.00 0.00 C ATOM 8 O2' C A 8 2.172 -6.535 -10.234 1.00 0.00 O ATOM 9 C1' C A 8 2.801 -4.232 -10.375 1.00 0.00 C ATOM 10 N1 C A 8 3.372 -3.156 -9.540 1.00 0.00 N ATOM 11 C2 C A 8 4.641 -3.339 -8.962 1.00 0.00 C ATOM 12 O2 C A 8 5.255 -4.400 -9.168 1.00 0.00 O ATOM 13 N3 C A 8 5.163 -2.354 -8.196 1.00 0.00 N ATOM 14 C4 C A 8 4.478 -1.227 -7.996 1.00 0.00 C ATOM 15 N4 C A 8 5.035 -0.285 -7.231 1.00 0.00 N ATOM 16 C5 C A 8 3.190 -1.014 -8.569 1.00 0.00 C ATOM 17 C6 C A 8 2.681 -1.993 -9.327 1.00 0.00 C ATOM 0 H5' C A 8 -0.240 -2.583 -12.286 1.00 0.00 H new ATOM 0 H5'' C A 8 -1.439 -3.468 -11.363 1.00 0.00 H new ATOM 0 H4' C A 8 0.254 -4.955 -11.789 1.00 0.00 H new ATOM 0 H3' C A 8 0.356 -4.040 -8.914 1.00 0.00 H new ATOM 0 H2' C A 8 2.350 -5.435 -8.552 1.00 0.00 H new ATOM 0 HO2' C A 8 3.098 -6.845 -10.147 1.00 0.00 H new ATOM 0 HO5' C A 8 -0.988 -1.376 -10.439 1.00 0.00 H new ATOM 0 H1' C A 8 3.643 -4.734 -10.851 1.00 0.00 H new ATOM 0 H41 C A 8 4.540 0.589 -7.057 1.00 0.00 H new ATOM 0 H42 C A 8 5.956 -0.440 -6.821 1.00 0.00 H new ATOM 0 H5 C A 8 2.645 -0.097 -8.398 1.00 0.00 H new ATOM 0 H6 C A 8 1.708 -1.863 -9.778 1.00 0.00 H new ATOM 29 P C A 9 -0.823 -6.237 -8.057 1.00 0.00 P ATOM 30 OP1 C A 9 -1.940 -7.204 -8.215 1.00 0.00 O ATOM 31 OP2 C A 9 -1.022 -5.017 -7.233 1.00 0.00 O ATOM 32 O5' C A 9 0.440 -7.024 -7.486 1.00 0.00 O ATOM 33 C5' C A 9 0.849 -8.265 -8.057 1.00 0.00 C ATOM 34 C4' C A 9 2.050 -8.812 -7.317 1.00 0.00 C ATOM 35 O4' C A 9 3.172 -7.916 -7.524 1.00 0.00 O ATOM 36 C3' C A 9 1.904 -8.911 -5.805 1.00 0.00 C ATOM 37 O3' C A 9 1.314 -10.149 -5.419 1.00 0.00 O ATOM 38 C2' C A 9 3.342 -8.787 -5.311 1.00 0.00 C ATOM 39 O2' C A 9 4.027 -10.022 -5.406 1.00 0.00 O ATOM 40 C1' C A 9 3.941 -7.823 -6.339 1.00 0.00 C ATOM 41 N1 C A 9 3.962 -6.412 -5.902 1.00 0.00 N ATOM 42 C2 C A 9 5.056 -5.947 -5.152 1.00 0.00 C ATOM 43 O2 C A 9 5.978 -6.730 -4.870 1.00 0.00 O ATOM 44 N3 C A 9 5.080 -4.654 -4.753 1.00 0.00 N ATOM 45 C4 C A 9 4.072 -3.838 -5.072 1.00 0.00 C ATOM 46 N4 C A 9 4.142 -2.570 -4.658 1.00 0.00 N ATOM 47 C5 C A 9 2.950 -4.283 -5.829 1.00 0.00 C ATOM 48 C6 C A 9 2.936 -5.563 -6.222 1.00 0.00 C ATOM 0 H5' C A 9 1.094 -8.126 -9.110 1.00 0.00 H new ATOM 0 H5'' C A 9 0.029 -8.981 -8.013 1.00 0.00 H new ATOM 0 H4' C A 9 2.178 -9.819 -7.715 1.00 0.00 H new ATOM 0 H3' C A 9 1.246 -8.150 -5.385 1.00 0.00 H new ATOM 0 H2' C A 9 3.408 -8.469 -4.270 1.00 0.00 H new ATOM 0 HO2' C A 9 3.381 -10.743 -5.558 1.00 0.00 H new ATOM 0 H1' C A 9 4.980 -8.117 -6.486 1.00 0.00 H new ATOM 0 H41 C A 9 3.391 -1.918 -4.883 1.00 0.00 H new ATOM 0 H42 C A 9 4.947 -2.254 -4.117 1.00 0.00 H new ATOM 0 H5 C A 9 2.140 -3.612 -6.077 1.00 0.00 H new ATOM 0 H6 C A 9 2.102 -5.932 -6.801 1.00 0.00 H new ATOM 60 P G A 10 0.278 -10.198 -4.186 1.00 0.00 P ATOM 61 OP1 G A 10 -0.958 -10.873 -4.659 1.00 0.00 O ATOM 62 OP2 G A 10 0.187 -8.846 -3.577 1.00 0.00 O ATOM 63 O5' G A 10 0.988 -11.159 -3.131 1.00 0.00 O ATOM 64 C5' G A 10 0.466 -11.314 -1.814 1.00 0.00 C ATOM 65 C4' G A 10 1.590 -11.308 -0.800 1.00 0.00 C ATOM 66 O4' G A 10 2.618 -10.379 -1.249 1.00 0.00 O ATOM 67 C3' G A 10 1.203 -10.848 0.604 1.00 0.00 C ATOM 68 O3' G A 10 1.930 -11.559 1.600 1.00 0.00 O ATOM 69 C2' G A 10 1.543 -9.361 0.594 1.00 0.00 C ATOM 70 O2' G A 10 1.916 -8.903 1.879 1.00 0.00 O ATOM 71 C1' G A 10 2.779 -9.344 -0.300 1.00 0.00 C ATOM 72 N9 G A 10 2.968 -8.084 -1.014 1.00 0.00 N ATOM 73 C8 G A 10 2.522 -7.774 -2.275 1.00 0.00 C ATOM 74 N7 G A 10 2.839 -6.565 -2.652 1.00 0.00 N ATOM 75 C5 G A 10 3.539 -6.043 -1.572 1.00 0.00 C ATOM 76 C6 G A 10 4.133 -4.767 -1.394 1.00 0.00 C ATOM 77 O6 G A 10 4.162 -3.813 -2.181 1.00 0.00 O ATOM 78 N1 G A 10 4.741 -4.655 -0.149 1.00 0.00 N ATOM 79 C2 G A 10 4.775 -5.643 0.804 1.00 0.00 C ATOM 80 N2 G A 10 5.413 -5.341 1.945 1.00 0.00 N ATOM 81 N3 G A 10 4.227 -6.837 0.652 1.00 0.00 N ATOM 82 C4 G A 10 3.628 -6.968 -0.552 1.00 0.00 C ATOM 0 H5' G A 10 -0.091 -12.248 -1.744 1.00 0.00 H new ATOM 0 H5'' G A 10 -0.234 -10.508 -1.596 1.00 0.00 H new ATOM 0 H4' G A 10 1.912 -12.347 -0.735 1.00 0.00 H new ATOM 0 H3' G A 10 0.156 -11.033 0.844 1.00 0.00 H new ATOM 0 H2' G A 10 0.711 -8.735 0.272 1.00 0.00 H new ATOM 0 HO2' G A 10 1.367 -8.128 2.122 1.00 0.00 H new ATOM 0 H1' G A 10 3.656 -9.476 0.334 1.00 0.00 H new ATOM 0 H8 G A 10 1.964 -8.462 -2.893 1.00 0.00 H new ATOM 0 H1 G A 10 5.197 -3.770 0.074 1.00 0.00 H new ATOM 0 H21 G A 10 5.474 -6.031 2.693 1.00 0.00 H new ATOM 0 H22 G A 10 5.837 -4.421 2.064 1.00 0.00 H new ATOM 94 P U A 11 1.203 -11.978 2.972 1.00 0.00 P ATOM 95 OP1 U A 11 2.200 -12.664 3.833 1.00 0.00 O ATOM 96 OP2 U A 11 -0.058 -12.677 2.611 1.00 0.00 O ATOM 97 O5' U A 11 0.830 -10.585 3.652 1.00 0.00 O ATOM 98 C5' U A 11 -0.200 -10.502 4.635 1.00 0.00 C ATOM 99 C4' U A 11 -0.130 -9.174 5.358 1.00 0.00 C ATOM 100 O4' U A 11 0.424 -8.175 4.453 1.00 0.00 O ATOM 101 C3' U A 11 -1.480 -8.623 5.821 1.00 0.00 C ATOM 102 O3' U A 11 -1.447 -8.070 7.152 1.00 0.00 O ATOM 103 C2' U A 11 -1.836 -7.601 4.743 1.00 0.00 C ATOM 104 O2' U A 11 -2.606 -6.540 5.272 1.00 0.00 O ATOM 105 C1' U A 11 -0.457 -7.076 4.359 1.00 0.00 C ATOM 106 N1 U A 11 -0.360 -6.516 3.001 1.00 0.00 N ATOM 107 C2 U A 11 -0.029 -5.173 2.874 1.00 0.00 C ATOM 108 O2 U A 11 0.180 -4.442 3.830 1.00 0.00 O ATOM 109 N3 U A 11 0.049 -4.718 1.581 1.00 0.00 N ATOM 110 C4 U A 11 -0.165 -5.444 0.429 1.00 0.00 C ATOM 111 O4 U A 11 -0.054 -4.890 -0.666 1.00 0.00 O ATOM 112 C5 U A 11 -0.503 -6.816 0.645 1.00 0.00 C ATOM 113 C6 U A 11 -0.587 -7.298 1.889 1.00 0.00 C ATOM 0 H5' U A 11 -0.097 -11.319 5.349 1.00 0.00 H new ATOM 0 H5'' U A 11 -1.175 -10.615 4.161 1.00 0.00 H new ATOM 0 H4' U A 11 0.479 -9.361 6.242 1.00 0.00 H new ATOM 0 H3' U A 11 -2.236 -9.402 5.917 1.00 0.00 H new ATOM 0 H2' U A 11 -2.421 -8.021 3.925 1.00 0.00 H new ATOM 0 HO2' U A 11 -3.023 -6.041 4.539 1.00 0.00 H new ATOM 0 H1' U A 11 -0.219 -6.251 5.030 1.00 0.00 H new ATOM 0 H3 U A 11 0.292 -3.735 1.460 1.00 0.00 H new ATOM 0 H5 U A 11 -0.691 -7.464 -0.198 1.00 0.00 H new ATOM 0 H6 U A 11 -0.842 -8.338 2.028 1.00 0.00 H new ATOM 124 P U A 12 -0.333 -6.975 7.581 1.00 0.00 P ATOM 125 OP1 U A 12 0.969 -7.268 6.928 1.00 0.00 O ATOM 126 OP2 U A 12 -0.397 -6.889 9.064 1.00 0.00 O ATOM 127 O5' U A 12 -0.882 -5.599 6.990 1.00 0.00 O ATOM 128 C5' U A 12 -1.920 -4.875 7.650 1.00 0.00 C ATOM 129 C4' U A 12 -1.855 -3.409 7.277 1.00 0.00 C ATOM 130 O4' U A 12 -1.830 -3.292 5.824 1.00 0.00 O ATOM 131 C3' U A 12 -3.049 -2.573 7.737 1.00 0.00 C ATOM 132 O3' U A 12 -2.652 -1.262 8.135 1.00 0.00 O ATOM 133 C2' U A 12 -3.946 -2.541 6.504 1.00 0.00 C ATOM 134 O2' U A 12 -4.726 -1.361 6.460 1.00 0.00 O ATOM 135 C1' U A 12 -2.902 -2.476 5.394 1.00 0.00 C ATOM 136 N1 U A 12 -3.367 -2.956 4.079 1.00 0.00 N ATOM 137 C2 U A 12 -4.162 -2.107 3.315 1.00 0.00 C ATOM 138 O2 U A 12 -4.488 -0.988 3.680 1.00 0.00 O ATOM 139 N3 U A 12 -4.560 -2.620 2.105 1.00 0.00 N ATOM 140 C4 U A 12 -4.256 -3.861 1.588 1.00 0.00 C ATOM 141 O4 U A 12 -4.691 -4.178 0.480 1.00 0.00 O ATOM 142 C5 U A 12 -3.435 -4.672 2.432 1.00 0.00 C ATOM 143 C6 U A 12 -3.026 -4.208 3.617 1.00 0.00 C ATOM 0 H5' U A 12 -1.822 -4.988 8.730 1.00 0.00 H new ATOM 0 H5'' U A 12 -2.891 -5.285 7.374 1.00 0.00 H new ATOM 0 H4' U A 12 -0.962 -3.031 7.774 1.00 0.00 H new ATOM 0 H3' U A 12 -3.547 -2.988 8.614 1.00 0.00 H new ATOM 0 H2' U A 12 -4.648 -3.373 6.456 1.00 0.00 H new ATOM 0 HO2' U A 12 -4.791 -1.046 5.534 1.00 0.00 H new ATOM 0 H1' U A 12 -2.635 -1.431 5.239 1.00 0.00 H new ATOM 0 H3 U A 12 -5.144 -2.017 1.526 1.00 0.00 H new ATOM 0 H5 U A 12 -3.145 -5.662 2.111 1.00 0.00 H new ATOM 0 H6 U A 12 -2.405 -4.839 4.236 1.00 0.00 H new ATOM 154 P G A 13 -1.985 -1.025 9.580 1.00 0.00 P ATOM 155 OP1 G A 13 -1.883 -2.321 10.302 1.00 0.00 O ATOM 156 OP2 G A 13 -2.723 0.103 10.206 1.00 0.00 O ATOM 157 O5' G A 13 -0.506 -0.540 9.234 1.00 0.00 O ATOM 158 C5' G A 13 0.115 0.518 9.962 1.00 0.00 C ATOM 159 C4' G A 13 0.494 1.644 9.027 1.00 0.00 C ATOM 160 O4' G A 13 0.774 1.111 7.713 1.00 0.00 O ATOM 161 C3' G A 13 -0.599 2.668 8.762 1.00 0.00 C ATOM 162 O3' G A 13 -0.662 3.643 9.797 1.00 0.00 O ATOM 163 C2' G A 13 -0.191 3.276 7.418 1.00 0.00 C ATOM 164 O2' G A 13 0.712 4.350 7.598 1.00 0.00 O ATOM 165 C1' G A 13 0.566 2.124 6.749 1.00 0.00 C ATOM 166 N9 G A 13 -0.150 1.546 5.614 1.00 0.00 N ATOM 167 C8 G A 13 -0.758 0.315 5.554 1.00 0.00 C ATOM 168 N7 G A 13 -1.321 0.073 4.401 1.00 0.00 N ATOM 169 C5 G A 13 -1.071 1.215 3.651 1.00 0.00 C ATOM 170 C6 G A 13 -1.437 1.538 2.317 1.00 0.00 C ATOM 171 O6 G A 13 -2.076 0.857 1.504 1.00 0.00 O ATOM 172 N1 G A 13 -0.981 2.801 1.952 1.00 0.00 N ATOM 173 C2 G A 13 -0.265 3.646 2.764 1.00 0.00 C ATOM 174 N2 G A 13 0.085 4.827 2.230 1.00 0.00 N ATOM 175 N3 G A 13 0.084 3.358 4.007 1.00 0.00 N ATOM 176 C4 G A 13 -0.350 2.135 4.385 1.00 0.00 C ATOM 0 H5' G A 13 1.003 0.145 10.473 1.00 0.00 H new ATOM 0 H5'' G A 13 -0.564 0.887 10.731 1.00 0.00 H new ATOM 0 H4' G A 13 1.335 2.121 9.531 1.00 0.00 H new ATOM 0 H3' G A 13 -1.598 2.234 8.737 1.00 0.00 H new ATOM 0 H2' G A 13 -1.044 3.660 6.858 1.00 0.00 H new ATOM 0 HO2' G A 13 0.616 4.709 8.505 1.00 0.00 H new ATOM 0 H1' G A 13 1.503 2.528 6.366 1.00 0.00 H new ATOM 0 H8 G A 13 -0.769 -0.383 6.378 1.00 0.00 H new ATOM 0 H1 G A 13 -1.195 3.124 1.009 1.00 0.00 H new ATOM 0 H21 G A 13 0.618 5.499 2.783 1.00 0.00 H new ATOM 0 H22 G A 13 -0.182 5.053 1.272 1.00 0.00 H new ATOM 188 P A A 14 -1.967 4.570 9.940 1.00 0.00 P ATOM 189 OP1 A A 14 -1.724 5.549 11.030 1.00 0.00 O ATOM 190 OP2 A A 14 -3.143 3.665 10.017 1.00 0.00 O ATOM 191 O5' A A 14 -2.023 5.365 8.559 1.00 0.00 O ATOM 192 C5' A A 14 -3.262 5.800 8.007 1.00 0.00 C ATOM 193 C4' A A 14 -3.030 6.468 6.672 1.00 0.00 C ATOM 194 O4' A A 14 -2.362 5.529 5.789 1.00 0.00 O ATOM 195 C3' A A 14 -4.293 6.880 5.929 1.00 0.00 C ATOM 196 O3' A A 14 -4.705 8.189 6.310 1.00 0.00 O ATOM 197 C2' A A 14 -3.874 6.811 4.464 1.00 0.00 C ATOM 198 O2' A A 14 -3.181 7.980 4.071 1.00 0.00 O ATOM 199 C1' A A 14 -2.886 5.644 4.477 1.00 0.00 C ATOM 200 N9 A A 14 -3.476 4.357 4.101 1.00 0.00 N ATOM 201 C8 A A 14 -3.673 3.258 4.904 1.00 0.00 C ATOM 202 N7 A A 14 -4.225 2.243 4.286 1.00 0.00 N ATOM 203 C5 A A 14 -4.402 2.698 2.988 1.00 0.00 C ATOM 204 C6 A A 14 -4.938 2.092 1.838 1.00 0.00 C ATOM 205 N6 A A 14 -5.418 0.846 1.813 1.00 0.00 N ATOM 206 N1 A A 14 -4.968 2.817 0.700 1.00 0.00 N ATOM 207 C2 A A 14 -4.490 4.068 0.724 1.00 0.00 C ATOM 208 N3 A A 14 -3.961 4.747 1.740 1.00 0.00 N ATOM 209 C4 A A 14 -3.945 3.998 2.857 1.00 0.00 C ATOM 0 H5' A A 14 -3.749 6.495 8.690 1.00 0.00 H new ATOM 0 H5'' A A 14 -3.933 4.950 7.885 1.00 0.00 H new ATOM 0 H4' A A 14 -2.456 7.365 6.905 1.00 0.00 H new ATOM 0 H3' A A 14 -5.152 6.244 6.145 1.00 0.00 H new ATOM 0 H2' A A 14 -4.720 6.705 3.785 1.00 0.00 H new ATOM 0 HO2' A A 14 -3.377 8.704 4.701 1.00 0.00 H new ATOM 0 H1' A A 14 -2.121 5.865 3.733 1.00 0.00 H new ATOM 0 H8 A A 14 -3.398 3.234 5.948 1.00 0.00 H new ATOM 0 H61 A A 14 -5.794 0.462 0.946 1.00 0.00 H new ATOM 0 H62 A A 14 -5.408 0.279 2.661 1.00 0.00 H new ATOM 0 H2 A A 14 -4.541 4.602 -0.214 1.00 0.00 H new ATOM 221 P A A 15 -6.244 8.467 6.691 1.00 0.00 P ATOM 222 OP1 A A 15 -6.302 9.742 7.450 1.00 0.00 O ATOM 223 OP2 A A 15 -6.810 7.231 7.290 1.00 0.00 O ATOM 224 O5' A A 15 -6.952 8.700 5.282 1.00 0.00 O ATOM 225 C5' A A 15 -6.488 9.707 4.387 1.00 0.00 C ATOM 226 C4' A A 15 -6.752 9.292 2.958 1.00 0.00 C ATOM 227 O4' A A 15 -6.371 7.895 2.806 1.00 0.00 O ATOM 228 C3' A A 15 -8.211 9.377 2.515 1.00 0.00 C ATOM 229 O3' A A 15 -8.314 9.791 1.155 1.00 0.00 O ATOM 230 C2' A A 15 -8.726 7.956 2.726 1.00 0.00 C ATOM 231 O2' A A 15 -9.730 7.622 1.794 1.00 0.00 O ATOM 232 C1' A A 15 -7.488 7.138 2.386 1.00 0.00 C ATOM 233 N9 A A 15 -7.442 5.834 3.046 1.00 0.00 N ATOM 234 C8 A A 15 -7.135 5.580 4.357 1.00 0.00 C ATOM 235 N7 A A 15 -7.177 4.310 4.676 1.00 0.00 N ATOM 236 C5 A A 15 -7.537 3.682 3.492 1.00 0.00 C ATOM 237 C6 A A 15 -7.751 2.332 3.165 1.00 0.00 C ATOM 238 N6 A A 15 -7.628 1.329 4.038 1.00 0.00 N ATOM 239 N1 A A 15 -8.100 2.041 1.893 1.00 0.00 N ATOM 240 C2 A A 15 -8.223 3.046 1.017 1.00 0.00 C ATOM 241 N3 A A 15 -8.049 4.352 1.203 1.00 0.00 N ATOM 242 C4 A A 15 -7.703 4.608 2.478 1.00 0.00 C ATOM 0 H5' A A 15 -5.421 9.872 4.535 1.00 0.00 H new ATOM 0 H5'' A A 15 -6.989 10.652 4.598 1.00 0.00 H new ATOM 0 H4' A A 15 -6.177 9.989 2.348 1.00 0.00 H new ATOM 0 H3' A A 15 -8.789 10.115 3.072 1.00 0.00 H new ATOM 0 H2' A A 15 -9.152 7.804 3.718 1.00 0.00 H new ATOM 0 HO2' A A 15 -10.602 7.612 2.242 1.00 0.00 H new ATOM 0 H1' A A 15 -7.497 6.938 1.315 1.00 0.00 H new ATOM 0 H8 A A 15 -6.881 6.357 5.063 1.00 0.00 H new ATOM 0 H61 A A 15 -7.797 0.369 3.739 1.00 0.00 H new ATOM 0 H62 A A 15 -7.365 1.523 5.004 1.00 0.00 H new ATOM 0 H2 A A 15 -8.504 2.755 0.016 1.00 0.00 H new ATOM 254 P U A 16 -9.688 10.432 0.611 1.00 0.00 P ATOM 255 OP1 U A 16 -9.316 11.501 -0.351 1.00 0.00 O ATOM 256 OP2 U A 16 -10.572 10.760 1.761 1.00 0.00 O ATOM 257 O5' U A 16 -10.369 9.251 -0.213 1.00 0.00 O ATOM 258 C5' U A 16 -9.669 8.597 -1.269 1.00 0.00 C ATOM 259 C4' U A 16 -10.602 7.670 -2.019 1.00 0.00 C ATOM 260 O4' U A 16 -11.264 6.793 -1.064 1.00 0.00 O ATOM 261 C3' U A 16 -11.726 8.362 -2.780 1.00 0.00 C ATOM 262 O3' U A 16 -12.073 7.654 -3.965 1.00 0.00 O ATOM 263 C2' U A 16 -12.869 8.383 -1.770 1.00 0.00 C ATOM 264 O2' U A 16 -14.129 8.352 -2.412 1.00 0.00 O ATOM 265 C1' U A 16 -12.656 7.049 -1.055 1.00 0.00 C ATOM 266 N1 U A 16 -13.122 7.035 0.341 1.00 0.00 N ATOM 267 C2 U A 16 -14.429 6.641 0.598 1.00 0.00 C ATOM 268 O2 U A 16 -15.214 6.307 -0.278 1.00 0.00 O ATOM 269 N3 U A 16 -14.784 6.654 1.925 1.00 0.00 N ATOM 270 C4 U A 16 -13.989 7.008 2.995 1.00 0.00 C ATOM 271 O4 U A 16 -14.453 6.972 4.135 1.00 0.00 O ATOM 272 C5 U A 16 -12.659 7.398 2.642 1.00 0.00 C ATOM 273 C6 U A 16 -12.280 7.401 1.365 1.00 0.00 C ATOM 0 H5' U A 16 -8.831 8.031 -0.863 1.00 0.00 H new ATOM 0 H5'' U A 16 -9.253 9.337 -1.952 1.00 0.00 H new ATOM 0 H4' U A 16 -9.965 7.157 -2.740 1.00 0.00 H new ATOM 0 H3' U A 16 -11.455 9.358 -3.129 1.00 0.00 H new ATOM 0 H2' U A 16 -12.867 9.270 -1.137 1.00 0.00 H new ATOM 0 HO2' U A 16 -14.028 7.981 -3.313 1.00 0.00 H new ATOM 0 H1' U A 16 -13.240 6.293 -1.580 1.00 0.00 H new ATOM 0 H3 U A 16 -15.739 6.371 2.143 1.00 0.00 H new ATOM 0 H5 U A 16 -11.961 7.691 3.412 1.00 0.00 H new ATOM 0 H6 U A 16 -11.271 7.703 1.124 1.00 0.00 H new ATOM 284 P C A 17 -12.007 8.396 -5.392 1.00 0.00 P ATOM 285 OP1 C A 17 -11.892 9.864 -5.187 1.00 0.00 O ATOM 286 OP2 C A 17 -13.121 7.857 -6.212 1.00 0.00 O ATOM 287 O5' C A 17 -10.642 7.877 -6.029 1.00 0.00 O ATOM 288 C5' C A 17 -10.381 6.484 -6.156 1.00 0.00 C ATOM 289 C4' C A 17 -8.972 6.258 -6.647 1.00 0.00 C ATOM 290 O4' C A 17 -8.045 6.814 -5.670 1.00 0.00 O ATOM 291 C3' C A 17 -8.581 4.790 -6.818 1.00 0.00 C ATOM 292 O3' C A 17 -7.848 4.531 -8.032 1.00 0.00 O ATOM 293 C2' C A 17 -7.796 4.479 -5.545 1.00 0.00 C ATOM 294 O2' C A 17 -6.799 3.508 -5.786 1.00 0.00 O ATOM 295 C1' C A 17 -7.127 5.821 -5.268 1.00 0.00 C ATOM 296 N1 C A 17 -6.768 6.057 -3.855 1.00 0.00 N ATOM 297 C2 C A 17 -5.409 6.093 -3.502 1.00 0.00 C ATOM 298 O2 C A 17 -4.548 5.931 -4.383 1.00 0.00 O ATOM 299 N3 C A 17 -5.069 6.304 -2.212 1.00 0.00 N ATOM 300 C4 C A 17 -6.017 6.473 -1.290 1.00 0.00 C ATOM 301 N4 C A 17 -5.631 6.686 -0.032 1.00 0.00 N ATOM 302 C5 C A 17 -7.404 6.436 -1.616 1.00 0.00 C ATOM 303 C6 C A 17 -7.733 6.237 -2.901 1.00 0.00 C ATOM 0 H5' C A 17 -11.092 6.036 -6.850 1.00 0.00 H new ATOM 0 H5'' C A 17 -10.522 5.991 -5.194 1.00 0.00 H new ATOM 0 H4' C A 17 -8.926 6.733 -7.627 1.00 0.00 H new ATOM 0 H3' C A 17 -9.447 4.138 -6.934 1.00 0.00 H new ATOM 0 H2' C A 17 -8.416 4.090 -4.737 1.00 0.00 H new ATOM 0 HO2' C A 17 -6.047 3.922 -6.260 1.00 0.00 H new ATOM 0 H1' C A 17 -6.184 5.839 -5.814 1.00 0.00 H new ATOM 0 H41 C A 17 -6.329 6.820 0.700 1.00 0.00 H new ATOM 0 H42 C A 17 -4.638 6.715 0.199 1.00 0.00 H new ATOM 0 H5 C A 17 -8.162 6.563 -0.857 1.00 0.00 H new ATOM 0 H6 C A 17 -8.774 6.219 -3.187 1.00 0.00 H new ATOM 315 P U A 18 -6.533 5.391 -8.424 1.00 0.00 P ATOM 316 OP1 U A 18 -6.726 6.812 -8.035 1.00 0.00 O ATOM 317 OP2 U A 18 -6.225 5.063 -9.840 1.00 0.00 O ATOM 318 O5' U A 18 -5.376 4.787 -7.507 1.00 0.00 O ATOM 319 C5' U A 18 -4.109 4.426 -8.056 1.00 0.00 C ATOM 320 C4' U A 18 -3.025 4.569 -7.010 1.00 0.00 C ATOM 321 O4' U A 18 -3.497 3.980 -5.766 1.00 0.00 O ATOM 322 C3' U A 18 -1.714 3.857 -7.331 1.00 0.00 C ATOM 323 O3' U A 18 -0.605 4.616 -6.852 1.00 0.00 O ATOM 324 C2' U A 18 -1.860 2.517 -6.615 1.00 0.00 C ATOM 325 O2' U A 18 -0.599 2.007 -6.225 1.00 0.00 O ATOM 326 C1' U A 18 -2.630 2.936 -5.363 1.00 0.00 C ATOM 327 N1 U A 18 -3.447 1.889 -4.717 1.00 0.00 N ATOM 328 C2 U A 18 -2.857 0.667 -4.378 1.00 0.00 C ATOM 329 O2 U A 18 -1.685 0.402 -4.593 1.00 0.00 O ATOM 330 N3 U A 18 -3.699 -0.232 -3.773 1.00 0.00 N ATOM 331 C4 U A 18 -5.032 -0.051 -3.474 1.00 0.00 C ATOM 332 O4 U A 18 -5.657 -0.960 -2.923 1.00 0.00 O ATOM 333 C5 U A 18 -5.559 1.222 -3.849 1.00 0.00 C ATOM 334 C6 U A 18 -4.776 2.124 -4.443 1.00 0.00 C ATOM 0 H5' U A 18 -3.883 5.060 -8.914 1.00 0.00 H new ATOM 0 H5'' U A 18 -4.141 3.399 -8.418 1.00 0.00 H new ATOM 0 H4' U A 18 -2.824 5.639 -6.958 1.00 0.00 H new ATOM 0 H3' U A 18 -1.528 3.730 -8.397 1.00 0.00 H new ATOM 0 H2' U A 18 -2.331 1.746 -7.225 1.00 0.00 H new ATOM 0 HO2' U A 18 -0.725 1.291 -5.568 1.00 0.00 H new ATOM 0 H1' U A 18 -1.887 3.212 -4.615 1.00 0.00 H new ATOM 0 H3 U A 18 -3.294 -1.132 -3.517 1.00 0.00 H new ATOM 0 H5 U A 18 -6.595 1.455 -3.651 1.00 0.00 H new ATOM 0 H6 U A 18 -5.202 3.077 -4.720 1.00 0.00 H new ATOM 345 P C A 19 0.878 4.317 -7.402 1.00 0.00 P ATOM 346 OP1 C A 19 1.364 5.583 -8.015 1.00 0.00 O ATOM 347 OP2 C A 19 0.865 3.072 -8.214 1.00 0.00 O ATOM 348 O5' C A 19 1.718 4.028 -6.078 1.00 0.00 O ATOM 349 C5' C A 19 2.885 4.783 -5.758 1.00 0.00 C ATOM 350 C4' C A 19 2.600 5.736 -4.615 1.00 0.00 C ATOM 351 O4' C A 19 1.169 5.763 -4.357 1.00 0.00 O ATOM 352 C3' C A 19 3.225 5.352 -3.280 1.00 0.00 C ATOM 353 O3' C A 19 4.564 5.836 -3.184 1.00 0.00 O ATOM 354 C2' C A 19 2.286 6.002 -2.268 1.00 0.00 C ATOM 355 O2' C A 19 2.560 7.383 -2.122 1.00 0.00 O ATOM 356 C1' C A 19 0.932 5.844 -2.962 1.00 0.00 C ATOM 357 N1 C A 19 0.177 4.645 -2.543 1.00 0.00 N ATOM 358 C2 C A 19 -0.516 4.661 -1.317 1.00 0.00 C ATOM 359 O2 C A 19 -0.476 5.682 -0.608 1.00 0.00 O ATOM 360 N3 C A 19 -1.209 3.563 -0.939 1.00 0.00 N ATOM 361 C4 C A 19 -1.228 2.482 -1.720 1.00 0.00 C ATOM 362 N4 C A 19 -1.922 1.421 -1.300 1.00 0.00 N ATOM 363 C5 C A 19 -0.538 2.438 -2.967 1.00 0.00 C ATOM 364 C6 C A 19 0.147 3.529 -3.334 1.00 0.00 C ATOM 0 H5' C A 19 3.215 5.343 -6.633 1.00 0.00 H new ATOM 0 H5'' C A 19 3.698 4.110 -5.485 1.00 0.00 H new ATOM 0 H4' C A 19 3.024 6.685 -4.944 1.00 0.00 H new ATOM 0 H3' C A 19 3.317 4.277 -3.126 1.00 0.00 H new ATOM 0 H2' C A 19 2.361 5.564 -1.273 1.00 0.00 H new ATOM 0 HO2' C A 19 3.419 7.500 -1.665 1.00 0.00 H new ATOM 0 H1' C A 19 0.323 6.704 -2.684 1.00 0.00 H new ATOM 0 H41 C A 19 -1.959 0.577 -1.871 1.00 0.00 H new ATOM 0 H42 C A 19 -2.415 1.455 -0.408 1.00 0.00 H new ATOM 0 H5 C A 19 -0.567 1.558 -3.592 1.00 0.00 H new ATOM 0 H6 C A 19 0.685 3.528 -4.270 1.00 0.00 H new ATOM 376 P A A 20 5.428 5.567 -1.849 1.00 0.00 P ATOM 377 OP1 A A 20 5.011 6.554 -0.822 1.00 0.00 O ATOM 378 OP2 A A 20 6.854 5.492 -2.256 1.00 0.00 O ATOM 379 O5' A A 20 4.978 4.119 -1.361 1.00 0.00 O ATOM 380 C5' A A 20 5.548 3.529 -0.195 1.00 0.00 C ATOM 381 C4' A A 20 4.802 3.985 1.040 1.00 0.00 C ATOM 382 O4' A A 20 3.393 3.664 0.877 1.00 0.00 O ATOM 383 C3' A A 20 5.233 3.325 2.348 1.00 0.00 C ATOM 384 O3' A A 20 5.194 4.243 3.433 1.00 0.00 O ATOM 385 C2' A A 20 4.250 2.175 2.519 1.00 0.00 C ATOM 386 O2' A A 20 3.974 1.937 3.885 1.00 0.00 O ATOM 387 C1' A A 20 2.991 2.737 1.867 1.00 0.00 C ATOM 388 N9 A A 20 2.158 1.716 1.226 1.00 0.00 N ATOM 389 C8 A A 20 1.316 1.869 0.152 1.00 0.00 C ATOM 390 N7 A A 20 0.692 0.768 -0.192 1.00 0.00 N ATOM 391 C5 A A 20 1.154 -0.175 0.714 1.00 0.00 C ATOM 392 C6 A A 20 0.880 -1.544 0.881 1.00 0.00 C ATOM 393 N6 A A 20 0.026 -2.226 0.115 1.00 0.00 N ATOM 394 N1 A A 20 1.521 -2.196 1.877 1.00 0.00 N ATOM 395 C2 A A 20 2.377 -1.505 2.646 1.00 0.00 C ATOM 396 N3 A A 20 2.701 -0.225 2.595 1.00 0.00 N ATOM 397 C4 A A 20 2.053 0.394 1.595 1.00 0.00 C ATOM 0 H5' A A 20 6.600 3.805 -0.116 1.00 0.00 H new ATOM 0 H5'' A A 20 5.508 2.442 -0.272 1.00 0.00 H new ATOM 0 H4' A A 20 5.018 5.050 1.120 1.00 0.00 H new ATOM 0 H3' A A 20 6.266 2.976 2.328 1.00 0.00 H new ATOM 0 H2' A A 20 4.618 1.238 2.101 1.00 0.00 H new ATOM 0 HO2' A A 20 3.440 1.120 3.973 1.00 0.00 H new ATOM 0 H1' A A 20 2.390 3.192 2.655 1.00 0.00 H new ATOM 0 H8 A A 20 1.180 2.809 -0.362 1.00 0.00 H new ATOM 0 H61 A A 20 -0.131 -3.219 0.286 1.00 0.00 H new ATOM 0 H62 A A 20 -0.470 -1.754 -0.641 1.00 0.00 H new ATOM 0 H2 A A 20 2.872 -2.077 3.417 1.00 0.00 H new ATOM 409 P C A 21 6.555 4.927 3.949 1.00 0.00 P ATOM 410 OP1 C A 21 6.214 5.714 5.161 1.00 0.00 O ATOM 411 OP2 C A 21 7.203 5.602 2.795 1.00 0.00 O ATOM 412 O5' C A 21 7.460 3.695 4.406 1.00 0.00 O ATOM 413 C5' C A 21 8.318 3.024 3.484 1.00 0.00 C ATOM 414 C4' C A 21 8.318 1.539 3.761 1.00 0.00 C ATOM 415 O4' C A 21 6.985 1.009 3.548 1.00 0.00 O ATOM 416 C3' C A 21 9.186 0.696 2.839 1.00 0.00 C ATOM 417 O3' C A 21 10.549 0.715 3.246 1.00 0.00 O ATOM 418 C2' C A 21 8.558 -0.690 2.965 1.00 0.00 C ATOM 419 O2' C A 21 9.005 -1.355 4.132 1.00 0.00 O ATOM 420 C1' C A 21 7.077 -0.345 3.139 1.00 0.00 C ATOM 421 N1 C A 21 6.289 -0.522 1.904 1.00 0.00 N ATOM 422 C2 C A 21 5.545 -1.702 1.737 1.00 0.00 C ATOM 423 O2 C A 21 5.562 -2.564 2.633 1.00 0.00 O ATOM 424 N3 C A 21 4.827 -1.874 0.603 1.00 0.00 N ATOM 425 C4 C A 21 4.832 -0.928 -0.339 1.00 0.00 C ATOM 426 N4 C A 21 4.110 -1.142 -1.441 1.00 0.00 N ATOM 427 C5 C A 21 5.576 0.279 -0.196 1.00 0.00 C ATOM 428 C6 C A 21 6.282 0.440 0.931 1.00 0.00 C ATOM 0 H5' C A 21 9.331 3.417 3.566 1.00 0.00 H new ATOM 0 H5'' C A 21 7.985 3.211 2.463 1.00 0.00 H new ATOM 0 H4' C A 21 8.698 1.470 4.780 1.00 0.00 H new ATOM 0 H3' C A 21 9.211 1.055 1.810 1.00 0.00 H new ATOM 0 H2' C A 21 8.794 -1.342 2.124 1.00 0.00 H new ATOM 0 HO2' C A 21 9.891 -1.019 4.381 1.00 0.00 H new ATOM 0 H1' C A 21 6.664 -1.028 3.881 1.00 0.00 H new ATOM 0 H41 C A 21 4.090 -0.441 -2.182 1.00 0.00 H new ATOM 0 H42 C A 21 3.578 -2.006 -1.542 1.00 0.00 H new ATOM 0 H5 C A 21 5.571 1.035 -0.967 1.00 0.00 H new ATOM 0 H6 C A 21 6.855 1.344 1.074 1.00 0.00 H new ATOM 440 P G A 22 11.692 1.146 2.196 1.00 0.00 P ATOM 441 OP1 G A 22 12.882 1.581 2.973 1.00 0.00 O ATOM 442 OP2 G A 22 11.086 2.077 1.208 1.00 0.00 O ATOM 443 O5' G A 22 12.045 -0.209 1.435 1.00 0.00 O ATOM 444 C5' G A 22 13.023 -1.110 1.950 1.00 0.00 C ATOM 445 C4' G A 22 12.892 -2.460 1.283 1.00 0.00 C ATOM 446 O4' G A 22 11.525 -2.930 1.427 1.00 0.00 O ATOM 447 C3' G A 22 13.142 -2.482 -0.217 1.00 0.00 C ATOM 448 O3' G A 22 14.528 -2.594 -0.516 1.00 0.00 O ATOM 449 C2' G A 22 12.350 -3.705 -0.665 1.00 0.00 C ATOM 450 O2' G A 22 13.048 -4.905 -0.387 1.00 0.00 O ATOM 451 C1' G A 22 11.132 -3.623 0.254 1.00 0.00 C ATOM 452 N9 G A 22 9.998 -2.921 -0.342 1.00 0.00 N ATOM 453 C8 G A 22 9.533 -1.669 -0.019 1.00 0.00 C ATOM 454 N7 G A 22 8.500 -1.303 -0.728 1.00 0.00 N ATOM 455 C5 G A 22 8.265 -2.380 -1.572 1.00 0.00 C ATOM 456 C6 G A 22 7.272 -2.567 -2.570 1.00 0.00 C ATOM 457 O6 G A 22 6.373 -1.792 -2.918 1.00 0.00 O ATOM 458 N1 G A 22 7.396 -3.807 -3.189 1.00 0.00 N ATOM 459 C2 G A 22 8.349 -4.748 -2.888 1.00 0.00 C ATOM 460 N2 G A 22 8.303 -5.886 -3.598 1.00 0.00 N ATOM 461 N3 G A 22 9.279 -4.587 -1.962 1.00 0.00 N ATOM 462 C4 G A 22 9.180 -3.389 -1.347 1.00 0.00 C ATOM 0 H5' G A 22 12.899 -1.215 3.028 1.00 0.00 H new ATOM 0 H5'' G A 22 14.022 -0.709 1.782 1.00 0.00 H new ATOM 0 H4' G A 22 13.651 -3.070 1.773 1.00 0.00 H new ATOM 0 H3' G A 22 12.836 -1.568 -0.726 1.00 0.00 H new ATOM 0 H2' G A 22 12.139 -3.713 -1.734 1.00 0.00 H new ATOM 0 HO2' G A 22 12.514 -5.671 -0.684 1.00 0.00 H new ATOM 0 H1' G A 22 10.801 -4.641 0.457 1.00 0.00 H new ATOM 0 H8 G A 22 9.978 -1.049 0.745 1.00 0.00 H new ATOM 0 H1 G A 22 6.726 -4.035 -3.924 1.00 0.00 H new ATOM 0 H21 G A 22 8.984 -6.625 -3.422 1.00 0.00 H new ATOM 0 H22 G A 22 7.587 -6.012 -4.314 1.00 0.00 H new ATOM 474 P G A 23 15.085 -2.071 -1.930 1.00 0.00 P ATOM 475 OP1 G A 23 16.559 -2.261 -1.946 1.00 0.00 O ATOM 476 OP2 G A 23 14.521 -0.717 -2.164 1.00 0.00 O ATOM 477 O5' G A 23 14.436 -3.066 -2.991 1.00 0.00 O ATOM 478 C5' G A 23 14.851 -4.427 -3.071 1.00 0.00 C ATOM 479 C4' G A 23 14.071 -5.151 -4.143 1.00 0.00 C ATOM 480 O4' G A 23 12.657 -5.068 -3.838 1.00 0.00 O ATOM 481 C3' G A 23 14.182 -4.569 -5.545 1.00 0.00 C ATOM 482 O3' G A 23 15.355 -5.022 -6.226 1.00 0.00 O ATOM 483 C2' G A 23 12.898 -5.052 -6.214 1.00 0.00 C ATOM 484 O2' G A 23 13.030 -6.381 -6.684 1.00 0.00 O ATOM 485 C1' G A 23 11.912 -5.052 -5.043 1.00 0.00 C ATOM 486 N9 G A 23 11.029 -3.888 -5.027 1.00 0.00 N ATOM 487 C8 G A 23 11.087 -2.810 -4.175 1.00 0.00 C ATOM 488 N7 G A 23 10.159 -1.922 -4.405 1.00 0.00 N ATOM 489 C5 G A 23 9.442 -2.442 -5.474 1.00 0.00 C ATOM 490 C6 G A 23 8.315 -1.924 -6.165 1.00 0.00 C ATOM 491 O6 G A 23 7.706 -0.867 -5.963 1.00 0.00 O ATOM 492 N1 G A 23 7.905 -2.774 -7.188 1.00 0.00 N ATOM 493 C2 G A 23 8.501 -3.971 -7.505 1.00 0.00 C ATOM 494 N2 G A 23 7.959 -4.649 -8.527 1.00 0.00 N ATOM 495 N3 G A 23 9.549 -4.466 -6.868 1.00 0.00 N ATOM 496 C4 G A 23 9.965 -3.656 -5.871 1.00 0.00 C ATOM 0 H5' G A 23 14.701 -4.917 -2.109 1.00 0.00 H new ATOM 0 H5'' G A 23 15.917 -4.477 -3.291 1.00 0.00 H new ATOM 0 H4' G A 23 14.494 -6.156 -4.142 1.00 0.00 H new ATOM 0 H3' G A 23 14.282 -3.484 -5.552 1.00 0.00 H new ATOM 0 H2' G A 23 12.613 -4.441 -7.070 1.00 0.00 H new ATOM 0 HO2' G A 23 13.980 -6.609 -6.758 1.00 0.00 H new ATOM 0 HO3' G A 23 15.386 -4.626 -7.122 1.00 0.00 H new ATOM 0 H1' G A 23 11.278 -5.932 -5.151 1.00 0.00 H new ATOM 0 H8 G A 23 11.826 -2.709 -3.394 1.00 0.00 H new ATOM 0 H1 G A 23 7.100 -2.486 -7.745 1.00 0.00 H new ATOM 0 H21 G A 23 8.355 -5.545 -8.812 1.00 0.00 H new ATOM 0 H22 G A 23 7.151 -4.269 -9.019 1.00 0.00 H new TER 508 G A 23