USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 154 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 -12:sc= 0.315 USER MOD Single : A 1 G O5' : rot -8:sc= 0.667 USER MOD Single : A 2 G O2' : rot -12:sc= 0.308 USER MOD Single : A 3 U O2' : rot -18:sc= 0.382 USER MOD Single : A 4 U O2' : rot -13:sc= 0.368 USER MOD Single : A 5 C O2' : rot -82:sc= 0.968 USER MOD Single : A 6 A O2' : rot 1:sc= -2.97! USER MOD Single : A 7 G O2' : rot 21:sc= 0.321 USER MOD Single : A 8 A O2' : rot 178:sc= -3.77! USER MOD Single : A 9 A O2' : rot -1:sc= 0.519 USER MOD Single : A 10 G O2' : rot -18:sc= 0.285 USER MOD Single : A 11 A O2' : rot -24:sc= 0.299 USER MOD Single : A 12 A O2' : rot -11:sc= 0.359 USER MOD Single : A 13 C O2' : rot -123:sc= 0.975 USER MOD Single : A 14 C O2' : rot -30:sc= 0.212 USER MOD Single : A 14 C O3' : rot 180:sc= 0.141 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.973 -4.905 -9.230 1.00 0.00 O ATOM 2 C5' G A 1 -5.335 -4.832 -9.661 1.00 0.00 C ATOM 3 C4' G A 1 -6.193 -5.896 -8.985 1.00 0.00 C ATOM 4 O4' G A 1 -5.583 -7.189 -9.078 1.00 0.00 O ATOM 5 C3' G A 1 -6.349 -5.609 -7.499 1.00 0.00 C ATOM 6 O3' G A 1 -7.594 -4.935 -7.296 1.00 0.00 O ATOM 7 C2' G A 1 -6.447 -6.992 -6.884 1.00 0.00 C ATOM 8 O2' G A 1 -7.792 -7.484 -6.910 1.00 0.00 O ATOM 9 C1' G A 1 -5.534 -7.810 -7.786 1.00 0.00 C ATOM 10 N9 G A 1 -4.157 -7.829 -7.258 1.00 0.00 N ATOM 11 C8 G A 1 -3.018 -7.327 -7.793 1.00 0.00 C ATOM 12 N7 G A 1 -1.926 -7.468 -7.117 1.00 0.00 N ATOM 13 C5 G A 1 -2.378 -8.151 -5.984 1.00 0.00 C ATOM 14 C6 G A 1 -1.657 -8.606 -4.847 1.00 0.00 C ATOM 15 O6 G A 1 -0.456 -8.494 -4.609 1.00 0.00 O ATOM 16 N1 G A 1 -2.491 -9.245 -3.938 1.00 0.00 N ATOM 17 C2 G A 1 -3.850 -9.428 -4.097 1.00 0.00 C ATOM 18 N2 G A 1 -4.479 -10.068 -3.112 1.00 0.00 N ATOM 19 N3 G A 1 -4.536 -9.003 -5.163 1.00 0.00 N ATOM 20 C4 G A 1 -3.744 -8.377 -6.063 1.00 0.00 C ATOM 0 H5' G A 1 -5.383 -4.958 -10.743 1.00 0.00 H new ATOM 0 H5'' G A 1 -5.736 -3.843 -9.437 1.00 0.00 H new ATOM 0 H4' G A 1 -7.156 -5.878 -9.494 1.00 0.00 H new ATOM 0 H3' G A 1 -5.545 -5.001 -7.084 1.00 0.00 H new ATOM 0 H2' G A 1 -6.163 -7.024 -5.832 1.00 0.00 H new ATOM 0 HO2' G A 1 -8.404 -6.752 -7.136 1.00 0.00 H new ATOM 0 HO5' G A 1 -3.898 -5.541 -8.488 1.00 0.00 H new ATOM 0 H1' G A 1 -5.859 -8.849 -7.840 1.00 0.00 H new ATOM 0 H8 G A 1 -3.023 -6.827 -8.750 1.00 0.00 H new ATOM 0 H1 G A 1 -2.065 -9.608 -3.085 1.00 0.00 H new ATOM 0 H21 G A 1 -5.484 -10.234 -3.171 1.00 0.00 H new ATOM 0 H22 G A 1 -3.956 -10.392 -2.299 1.00 0.00 H new ATOM 33 P G A 2 -7.707 -3.734 -6.230 1.00 0.00 P ATOM 34 OP1 G A 2 -8.889 -2.915 -6.579 1.00 0.00 O ATOM 35 OP2 G A 2 -6.376 -3.098 -6.107 1.00 0.00 O ATOM 36 O5' G A 2 -8.020 -4.513 -4.856 1.00 0.00 O ATOM 37 C5' G A 2 -9.327 -5.032 -4.598 1.00 0.00 C ATOM 38 C4' G A 2 -9.367 -5.827 -3.297 1.00 0.00 C ATOM 39 O4' G A 2 -8.385 -6.869 -3.293 1.00 0.00 O ATOM 40 C3' G A 2 -9.034 -4.946 -2.104 1.00 0.00 C ATOM 41 O3' G A 2 -10.256 -4.439 -1.557 1.00 0.00 O ATOM 42 C2' G A 2 -8.437 -5.927 -1.114 1.00 0.00 C ATOM 43 O2' G A 2 -9.453 -6.588 -0.349 1.00 0.00 O ATOM 44 C1' G A 2 -7.703 -6.901 -2.028 1.00 0.00 C ATOM 45 N9 G A 2 -6.287 -6.513 -2.177 1.00 0.00 N ATOM 46 C8 G A 2 -5.659 -5.903 -3.212 1.00 0.00 C ATOM 47 N7 G A 2 -4.396 -5.665 -3.090 1.00 0.00 N ATOM 48 C5 G A 2 -4.131 -6.176 -1.814 1.00 0.00 C ATOM 49 C6 G A 2 -2.913 -6.220 -1.084 1.00 0.00 C ATOM 50 O6 G A 2 -1.804 -5.809 -1.423 1.00 0.00 O ATOM 51 N1 G A 2 -3.087 -6.817 0.159 1.00 0.00 N ATOM 52 C2 G A 2 -4.280 -7.312 0.644 1.00 0.00 C ATOM 53 N2 G A 2 -4.242 -7.850 1.862 1.00 0.00 N ATOM 54 N3 G A 2 -5.429 -7.274 -0.036 1.00 0.00 N ATOM 55 C4 G A 2 -5.287 -6.697 -1.250 1.00 0.00 C ATOM 0 H5' G A 2 -9.636 -5.671 -5.425 1.00 0.00 H new ATOM 0 H5'' G A 2 -10.042 -4.211 -4.546 1.00 0.00 H new ATOM 0 H4' G A 2 -10.377 -6.232 -3.226 1.00 0.00 H new ATOM 0 H3' G A 2 -8.381 -4.107 -2.345 1.00 0.00 H new ATOM 0 H2' G A 2 -7.794 -5.458 -0.370 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.312 -6.137 -0.487 1.00 0.00 H new ATOM 0 H1' G A 2 -7.707 -7.909 -1.612 1.00 0.00 H new ATOM 0 H8 G A 2 -6.196 -5.626 -4.107 1.00 0.00 H new ATOM 0 H1 G A 2 -2.267 -6.895 0.761 1.00 0.00 H new ATOM 0 H21 G A 2 -5.091 -8.234 2.277 1.00 0.00 H new ATOM 0 H22 G A 2 -3.364 -7.878 2.380 1.00 0.00 H new ATOM 67 P U A 3 -10.379 -2.890 -1.130 1.00 0.00 P ATOM 68 OP1 U A 3 -11.804 -2.598 -0.854 1.00 0.00 O ATOM 69 OP2 U A 3 -9.636 -2.076 -2.118 1.00 0.00 O ATOM 70 O5' U A 3 -9.576 -2.845 0.266 1.00 0.00 O ATOM 71 C5' U A 3 -10.254 -3.092 1.500 1.00 0.00 C ATOM 72 C4' U A 3 -9.276 -3.278 2.656 1.00 0.00 C ATOM 73 O4' U A 3 -8.251 -4.220 2.331 1.00 0.00 O ATOM 74 C3' U A 3 -8.541 -1.988 2.970 1.00 0.00 C ATOM 75 O3' U A 3 -9.295 -1.255 3.938 1.00 0.00 O ATOM 76 C2' U A 3 -7.266 -2.482 3.628 1.00 0.00 C ATOM 77 O2' U A 3 -7.447 -2.695 5.033 1.00 0.00 O ATOM 78 C1' U A 3 -6.998 -3.792 2.892 1.00 0.00 C ATOM 79 N1 U A 3 -5.984 -3.594 1.841 1.00 0.00 N ATOM 80 C2 U A 3 -4.660 -3.607 2.230 1.00 0.00 C ATOM 81 O2 U A 3 -4.323 -3.791 3.398 1.00 0.00 O ATOM 82 N3 U A 3 -3.730 -3.402 1.229 1.00 0.00 N ATOM 83 C4 U A 3 -4.007 -3.185 -0.111 1.00 0.00 C ATOM 84 O4 U A 3 -3.097 -3.013 -0.919 1.00 0.00 O ATOM 85 C5 U A 3 -5.418 -3.188 -0.428 1.00 0.00 C ATOM 86 C6 U A 3 -6.346 -3.388 0.538 1.00 0.00 C ATOM 0 H5' U A 3 -10.875 -3.983 1.402 1.00 0.00 H new ATOM 0 H5'' U A 3 -10.923 -2.260 1.720 1.00 0.00 H new ATOM 0 H4' U A 3 -9.881 -3.616 3.497 1.00 0.00 H new ATOM 0 H3' U A 3 -8.376 -1.351 2.101 1.00 0.00 H new ATOM 0 H2' U A 3 -6.442 -1.772 3.560 1.00 0.00 H new ATOM 0 HO2' U A 3 -8.245 -2.214 5.337 1.00 0.00 H new ATOM 0 H1' U A 3 -6.606 -4.550 3.570 1.00 0.00 H new ATOM 0 H3 U A 3 -2.747 -3.411 1.502 1.00 0.00 H new ATOM 0 H5 U A 3 -5.736 -3.029 -1.448 1.00 0.00 H new ATOM 0 H6 U A 3 -7.393 -3.385 0.274 1.00 0.00 H new ATOM 97 P U A 4 -9.198 0.351 3.993 1.00 0.00 P ATOM 98 OP1 U A 4 -10.224 0.845 4.939 1.00 0.00 O ATOM 99 OP2 U A 4 -9.170 0.860 2.604 1.00 0.00 O ATOM 100 O5' U A 4 -7.747 0.594 4.648 1.00 0.00 O ATOM 101 C5' U A 4 -7.601 0.697 6.066 1.00 0.00 C ATOM 102 C4' U A 4 -6.152 0.963 6.470 1.00 0.00 C ATOM 103 O4' U A 4 -5.258 0.025 5.873 1.00 0.00 O ATOM 104 C3' U A 4 -5.677 2.316 5.975 1.00 0.00 C ATOM 105 O3' U A 4 -5.998 3.302 6.960 1.00 0.00 O ATOM 106 C2' U A 4 -4.168 2.148 5.941 1.00 0.00 C ATOM 107 O2' U A 4 -3.575 2.481 7.202 1.00 0.00 O ATOM 108 C1' U A 4 -3.994 0.663 5.617 1.00 0.00 C ATOM 109 N1 U A 4 -3.580 0.483 4.213 1.00 0.00 N ATOM 110 C2 U A 4 -2.229 0.550 3.938 1.00 0.00 C ATOM 111 O2 U A 4 -1.393 0.749 4.817 1.00 0.00 O ATOM 112 N3 U A 4 -1.869 0.382 2.614 1.00 0.00 N ATOM 113 C4 U A 4 -2.732 0.155 1.555 1.00 0.00 C ATOM 114 O4 U A 4 -2.300 0.019 0.413 1.00 0.00 O ATOM 115 C5 U A 4 -4.126 0.101 1.935 1.00 0.00 C ATOM 116 C6 U A 4 -4.503 0.263 3.227 1.00 0.00 C ATOM 0 H5' U A 4 -7.945 -0.225 6.535 1.00 0.00 H new ATOM 0 H5'' U A 4 -8.236 1.501 6.439 1.00 0.00 H new ATOM 0 H4' U A 4 -6.143 0.898 7.558 1.00 0.00 H new ATOM 0 H3' U A 4 -6.114 2.616 5.023 1.00 0.00 H new ATOM 0 H2' U A 4 -3.681 2.804 5.219 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.233 2.945 7.761 1.00 0.00 H new ATOM 0 H1' U A 4 -3.213 0.218 6.234 1.00 0.00 H new ATOM 0 H3 U A 4 -0.874 0.430 2.396 1.00 0.00 H new ATOM 0 H5 U A 4 -4.878 -0.071 1.179 1.00 0.00 H new ATOM 0 H6 U A 4 -5.551 0.218 3.483 1.00 0.00 H new ATOM 127 P C A 5 -6.298 4.822 6.520 1.00 0.00 P ATOM 128 OP1 C A 5 -6.689 5.583 7.728 1.00 0.00 O ATOM 129 OP2 C A 5 -7.193 4.796 5.342 1.00 0.00 O ATOM 130 O5' C A 5 -4.851 5.345 6.043 1.00 0.00 O ATOM 131 C5' C A 5 -3.960 5.960 6.977 1.00 0.00 C ATOM 132 C4' C A 5 -2.562 6.144 6.389 1.00 0.00 C ATOM 133 O4' C A 5 -2.145 4.999 5.656 1.00 0.00 O ATOM 134 C3' C A 5 -2.528 7.276 5.380 1.00 0.00 C ATOM 135 O3' C A 5 -2.241 8.496 6.071 1.00 0.00 O ATOM 136 C2' C A 5 -1.328 6.929 4.509 1.00 0.00 C ATOM 137 O2' C A 5 -0.142 7.585 4.970 1.00 0.00 O ATOM 138 C1' C A 5 -1.210 5.406 4.645 1.00 0.00 C ATOM 139 N1 C A 5 -1.490 4.742 3.357 1.00 0.00 N ATOM 140 C2 C A 5 -0.432 4.595 2.477 1.00 0.00 C ATOM 141 O2 C A 5 0.685 5.003 2.787 1.00 0.00 O ATOM 142 N3 C A 5 -0.667 3.996 1.278 1.00 0.00 N ATOM 143 C4 C A 5 -1.890 3.557 0.956 1.00 0.00 C ATOM 144 N4 C A 5 -2.083 2.974 -0.228 1.00 0.00 N ATOM 145 C5 C A 5 -2.986 3.705 1.862 1.00 0.00 C ATOM 146 C6 C A 5 -2.743 4.301 3.047 1.00 0.00 C ATOM 0 H5' C A 5 -3.898 5.349 7.877 1.00 0.00 H new ATOM 0 H5'' C A 5 -4.359 6.929 7.276 1.00 0.00 H new ATOM 0 H4' C A 5 -1.917 6.337 7.246 1.00 0.00 H new ATOM 0 H3' C A 5 -3.459 7.393 4.825 1.00 0.00 H new ATOM 0 H2' C A 5 -1.451 7.252 3.475 1.00 0.00 H new ATOM 0 HO2' C A 5 -0.120 8.502 4.624 1.00 0.00 H new ATOM 0 H1' C A 5 -0.197 5.119 4.929 1.00 0.00 H new ATOM 0 H41 C A 5 -3.010 2.635 -0.485 1.00 0.00 H new ATOM 0 H42 C A 5 -1.303 2.867 -0.877 1.00 0.00 H new ATOM 0 H5 C A 5 -3.974 3.352 1.606 1.00 0.00 H new ATOM 0 H6 C A 5 -3.547 4.430 3.756 1.00 0.00 H new ATOM 158 P A A 6 -2.274 9.903 5.286 1.00 0.00 P ATOM 159 OP1 A A 6 -1.522 10.897 6.085 1.00 0.00 O ATOM 160 OP2 A A 6 -3.672 10.180 4.891 1.00 0.00 O ATOM 161 O5' A A 6 -1.429 9.585 3.953 1.00 0.00 O ATOM 162 C5' A A 6 -1.919 9.981 2.669 1.00 0.00 C ATOM 163 C4' A A 6 -1.081 9.384 1.543 1.00 0.00 C ATOM 164 O4' A A 6 -1.331 7.997 1.396 1.00 0.00 O ATOM 165 C3' A A 6 -1.440 9.999 0.199 1.00 0.00 C ATOM 166 O3' A A 6 -0.507 11.048 -0.074 1.00 0.00 O ATOM 167 C2' A A 6 -1.200 8.875 -0.812 1.00 0.00 C ATOM 168 O2' A A 6 -0.013 9.114 -1.578 1.00 0.00 O ATOM 169 C1' A A 6 -1.057 7.615 0.050 1.00 0.00 C ATOM 170 N9 A A 6 -1.986 6.561 -0.394 1.00 0.00 N ATOM 171 C8 A A 6 -3.024 5.991 0.266 1.00 0.00 C ATOM 172 N7 A A 6 -3.680 5.061 -0.346 1.00 0.00 N ATOM 173 C5 A A 6 -3.003 4.998 -1.569 1.00 0.00 C ATOM 174 C6 A A 6 -3.178 4.209 -2.711 1.00 0.00 C ATOM 175 N6 A A 6 -4.132 3.285 -2.823 1.00 0.00 N ATOM 176 N1 A A 6 -2.331 4.408 -3.738 1.00 0.00 N ATOM 177 C2 A A 6 -1.368 5.327 -3.649 1.00 0.00 C ATOM 178 N3 A A 6 -1.112 6.125 -2.618 1.00 0.00 N ATOM 179 C4 A A 6 -1.973 5.909 -1.604 1.00 0.00 C ATOM 0 H5' A A 6 -1.909 11.068 2.594 1.00 0.00 H new ATOM 0 H5'' A A 6 -2.956 9.663 2.560 1.00 0.00 H new ATOM 0 H4' A A 6 -0.043 9.582 1.812 1.00 0.00 H new ATOM 0 H3' A A 6 -2.456 10.393 0.168 1.00 0.00 H new ATOM 0 H2' A A 6 -2.008 8.791 -1.539 1.00 0.00 H new ATOM 0 HO2' A A 6 0.407 9.948 -1.279 1.00 0.00 H new ATOM 0 H1' A A 6 -0.051 7.204 -0.038 1.00 0.00 H new ATOM 0 H8 A A 6 -3.292 6.302 1.265 1.00 0.00 H new ATOM 0 H61 A A 6 -4.214 2.738 -3.680 1.00 0.00 H new ATOM 0 H62 A A 6 -4.780 3.125 -2.052 1.00 0.00 H new ATOM 0 H2 A A 6 -0.725 5.434 -4.510 1.00 0.00 H new ATOM 191 P G A 7 -0.921 12.291 -1.011 1.00 0.00 P ATOM 192 OP1 G A 7 0.286 13.115 -1.246 1.00 0.00 O ATOM 193 OP2 G A 7 -2.138 12.913 -0.445 1.00 0.00 O ATOM 194 O5' G A 7 -1.319 11.574 -2.397 1.00 0.00 O ATOM 195 C5' G A 7 -0.387 11.517 -3.479 1.00 0.00 C ATOM 196 C4' G A 7 -0.935 10.708 -4.651 1.00 0.00 C ATOM 197 O4' G A 7 -1.405 9.427 -4.216 1.00 0.00 O ATOM 198 C3' G A 7 -2.133 11.413 -5.301 1.00 0.00 C ATOM 199 O3' G A 7 -1.930 11.423 -6.716 1.00 0.00 O ATOM 200 C2' G A 7 -3.318 10.499 -5.007 1.00 0.00 C ATOM 201 O2' G A 7 -4.263 10.502 -6.082 1.00 0.00 O ATOM 202 C1' G A 7 -2.640 9.150 -4.864 1.00 0.00 C ATOM 203 N9 G A 7 -3.459 8.194 -4.091 1.00 0.00 N ATOM 204 C8 G A 7 -3.765 6.908 -4.379 1.00 0.00 C ATOM 205 N7 G A 7 -4.507 6.264 -3.542 1.00 0.00 N ATOM 206 C5 G A 7 -4.737 7.232 -2.561 1.00 0.00 C ATOM 207 C6 G A 7 -5.492 7.147 -1.359 1.00 0.00 C ATOM 208 O6 G A 7 -6.115 6.185 -0.917 1.00 0.00 O ATOM 209 N1 G A 7 -5.468 8.345 -0.657 1.00 0.00 N ATOM 210 C2 G A 7 -4.804 9.487 -1.055 1.00 0.00 C ATOM 211 N2 G A 7 -4.902 10.538 -0.242 1.00 0.00 N ATOM 212 N3 G A 7 -4.091 9.576 -2.183 1.00 0.00 N ATOM 213 C4 G A 7 -4.098 8.421 -2.888 1.00 0.00 C ATOM 0 H5' G A 7 0.546 11.071 -3.133 1.00 0.00 H new ATOM 0 H5'' G A 7 -0.153 12.528 -3.812 1.00 0.00 H new ATOM 0 H4' G A 7 -0.114 10.604 -5.361 1.00 0.00 H new ATOM 0 H3' G A 7 -2.274 12.432 -4.939 1.00 0.00 H new ATOM 0 H2' G A 7 -3.898 10.795 -4.133 1.00 0.00 H new ATOM 0 HO2' G A 7 -3.823 10.806 -6.903 1.00 0.00 H new ATOM 0 H1' G A 7 -2.494 8.671 -5.832 1.00 0.00 H new ATOM 0 H8 G A 7 -3.400 6.436 -5.279 1.00 0.00 H new ATOM 0 H1 G A 7 -5.982 8.384 0.223 1.00 0.00 H new ATOM 0 H21 G A 7 -4.434 11.412 -0.480 1.00 0.00 H new ATOM 0 H22 G A 7 -5.445 10.468 0.618 1.00 0.00 H new ATOM 225 P A A 8 -1.176 12.652 -7.430 1.00 0.00 P ATOM 226 OP1 A A 8 -0.274 13.282 -6.440 1.00 0.00 O ATOM 227 OP2 A A 8 -2.189 13.472 -8.133 1.00 0.00 O ATOM 228 O5' A A 8 -0.271 11.913 -8.537 1.00 0.00 O ATOM 229 C5' A A 8 -0.854 10.980 -9.454 1.00 0.00 C ATOM 230 C4' A A 8 0.154 9.912 -9.880 1.00 0.00 C ATOM 231 O4' A A 8 1.501 10.337 -9.600 1.00 0.00 O ATOM 232 C3' A A 8 -0.028 8.614 -9.089 1.00 0.00 C ATOM 233 O3' A A 8 0.445 7.529 -9.891 1.00 0.00 O ATOM 234 C2' A A 8 0.946 8.785 -7.953 1.00 0.00 C ATOM 235 O2' A A 8 1.295 7.535 -7.360 1.00 0.00 O ATOM 236 C1' A A 8 2.105 9.396 -8.703 1.00 0.00 C ATOM 237 N9 A A 8 3.066 10.032 -7.787 1.00 0.00 N ATOM 238 C8 A A 8 2.851 10.795 -6.689 1.00 0.00 C ATOM 239 N7 A A 8 3.889 11.225 -6.050 1.00 0.00 N ATOM 240 C5 A A 8 4.932 10.683 -6.814 1.00 0.00 C ATOM 241 C6 A A 8 6.325 10.744 -6.701 1.00 0.00 C ATOM 242 N6 A A 8 6.949 11.412 -5.732 1.00 0.00 N ATOM 243 N1 A A 8 7.051 10.091 -7.630 1.00 0.00 N ATOM 244 C2 A A 8 6.442 9.417 -8.610 1.00 0.00 C ATOM 245 N3 A A 8 5.137 9.296 -8.808 1.00 0.00 N ATOM 246 C4 A A 8 4.434 9.957 -7.870 1.00 0.00 C ATOM 0 H5' A A 8 -1.217 11.511 -10.334 1.00 0.00 H new ATOM 0 H5'' A A 8 -1.718 10.503 -8.990 1.00 0.00 H new ATOM 0 H4' A A 8 -0.015 9.755 -10.945 1.00 0.00 H new ATOM 0 H3' A A 8 -1.057 8.424 -8.785 1.00 0.00 H new ATOM 0 H2' A A 8 0.578 9.373 -7.112 1.00 0.00 H new ATOM 0 HO2' A A 8 1.952 7.683 -6.648 1.00 0.00 H new ATOM 0 H1' A A 8 2.690 8.650 -9.241 1.00 0.00 H new ATOM 0 H8 A A 8 1.851 11.035 -6.360 1.00 0.00 H new ATOM 0 H61 A A 8 7.968 11.424 -5.696 1.00 0.00 H new ATOM 0 H62 A A 8 6.407 11.911 -5.026 1.00 0.00 H new ATOM 0 H2 A A 8 7.084 8.915 -9.319 1.00 0.00 H new ATOM 258 P A A 9 -0.201 6.064 -9.756 1.00 0.00 P ATOM 259 OP1 A A 9 -0.155 5.411 -11.084 1.00 0.00 O ATOM 260 OP2 A A 9 -1.490 6.191 -9.039 1.00 0.00 O ATOM 261 O5' A A 9 0.851 5.318 -8.783 1.00 0.00 O ATOM 262 C5' A A 9 1.829 4.415 -9.311 1.00 0.00 C ATOM 263 C4' A A 9 3.253 4.988 -9.226 1.00 0.00 C ATOM 264 O4' A A 9 3.217 6.303 -8.660 1.00 0.00 O ATOM 265 C3' A A 9 4.163 4.141 -8.325 1.00 0.00 C ATOM 266 O3' A A 9 5.172 3.542 -9.139 1.00 0.00 O ATOM 267 C2' A A 9 4.880 5.143 -7.428 1.00 0.00 C ATOM 268 O2' A A 9 6.191 5.438 -7.924 1.00 0.00 O ATOM 269 C1' A A 9 3.991 6.371 -7.458 1.00 0.00 C ATOM 270 N9 A A 9 3.134 6.416 -6.259 1.00 0.00 N ATOM 271 C8 A A 9 2.024 5.702 -5.961 1.00 0.00 C ATOM 272 N7 A A 9 1.470 5.913 -4.815 1.00 0.00 N ATOM 273 C5 A A 9 2.307 6.891 -4.272 1.00 0.00 C ATOM 274 C6 A A 9 2.296 7.575 -3.053 1.00 0.00 C ATOM 275 N6 A A 9 1.375 7.376 -2.112 1.00 0.00 N ATOM 276 N1 A A 9 3.273 8.474 -2.841 1.00 0.00 N ATOM 277 C2 A A 9 4.207 8.688 -3.771 1.00 0.00 C ATOM 278 N3 A A 9 4.311 8.097 -4.957 1.00 0.00 N ATOM 279 C4 A A 9 3.322 7.202 -5.145 1.00 0.00 C ATOM 0 H5' A A 9 1.591 4.191 -10.351 1.00 0.00 H new ATOM 0 H5'' A A 9 1.785 3.473 -8.764 1.00 0.00 H new ATOM 0 H4' A A 9 3.646 4.995 -10.242 1.00 0.00 H new ATOM 0 H3' A A 9 3.602 3.383 -7.779 1.00 0.00 H new ATOM 0 H2' A A 9 5.030 4.764 -6.417 1.00 0.00 H new ATOM 0 HO2' A A 9 6.357 4.919 -8.738 1.00 0.00 H new ATOM 0 H1' A A 9 4.584 7.286 -7.450 1.00 0.00 H new ATOM 0 H8 A A 9 1.617 4.983 -6.656 1.00 0.00 H new ATOM 0 H61 A A 9 1.415 7.903 -1.240 1.00 0.00 H new ATOM 0 H62 A A 9 0.630 6.696 -2.263 1.00 0.00 H new ATOM 0 H2 A A 9 4.962 9.423 -3.533 1.00 0.00 H new ATOM 291 P G A 10 5.948 2.225 -8.628 1.00 0.00 P ATOM 292 OP1 G A 10 7.245 2.144 -9.336 1.00 0.00 O ATOM 293 OP2 G A 10 5.006 1.084 -8.681 1.00 0.00 O ATOM 294 O5' G A 10 6.238 2.565 -7.078 1.00 0.00 O ATOM 295 C5' G A 10 7.573 2.811 -6.626 1.00 0.00 C ATOM 296 C4' G A 10 7.605 3.338 -5.192 1.00 0.00 C ATOM 297 O4' G A 10 6.548 4.271 -4.944 1.00 0.00 O ATOM 298 C3' G A 10 7.381 2.227 -4.182 1.00 0.00 C ATOM 299 O3' G A 10 8.638 1.627 -3.857 1.00 0.00 O ATOM 300 C2' G A 10 6.889 2.994 -2.972 1.00 0.00 C ATOM 301 O2' G A 10 7.976 3.553 -2.225 1.00 0.00 O ATOM 302 C1' G A 10 6.033 4.079 -3.611 1.00 0.00 C ATOM 303 N9 G A 10 4.614 3.672 -3.632 1.00 0.00 N ATOM 304 C8 G A 10 3.897 3.069 -4.612 1.00 0.00 C ATOM 305 N7 G A 10 2.657 2.802 -4.368 1.00 0.00 N ATOM 306 C5 G A 10 2.513 3.281 -3.063 1.00 0.00 C ATOM 307 C6 G A 10 1.372 3.285 -2.214 1.00 0.00 C ATOM 308 O6 G A 10 0.242 2.858 -2.447 1.00 0.00 O ATOM 309 N1 G A 10 1.656 3.861 -0.983 1.00 0.00 N ATOM 310 C2 G A 10 2.882 4.372 -0.608 1.00 0.00 C ATOM 311 N2 G A 10 2.955 4.884 0.620 1.00 0.00 N ATOM 312 N3 G A 10 3.959 4.373 -1.399 1.00 0.00 N ATOM 313 C4 G A 10 3.707 3.817 -2.605 1.00 0.00 C ATOM 0 H5' G A 10 8.053 3.532 -7.288 1.00 0.00 H new ATOM 0 H5'' G A 10 8.152 1.889 -6.686 1.00 0.00 H new ATOM 0 H4' G A 10 8.587 3.798 -5.084 1.00 0.00 H new ATOM 0 H3' G A 10 6.708 1.442 -4.528 1.00 0.00 H new ATOM 0 H2' G A 10 6.350 2.378 -2.252 1.00 0.00 H new ATOM 0 HO2' G A 10 8.808 3.096 -2.467 1.00 0.00 H new ATOM 0 H1' G A 10 6.078 5.010 -3.046 1.00 0.00 H new ATOM 0 H8 G A 10 4.346 2.821 -5.562 1.00 0.00 H new ATOM 0 H1 G A 10 0.898 3.910 -0.302 1.00 0.00 H new ATOM 0 H21 G A 10 3.834 5.277 0.957 1.00 0.00 H new ATOM 0 H22 G A 10 2.132 4.882 1.223 1.00 0.00 H new ATOM 325 P A A 11 8.707 0.073 -3.444 1.00 0.00 P ATOM 326 OP1 A A 11 10.125 -0.348 -3.465 1.00 0.00 O ATOM 327 OP2 A A 11 7.706 -0.665 -4.248 1.00 0.00 O ATOM 328 O5' A A 11 8.208 0.085 -1.911 1.00 0.00 O ATOM 329 C5' A A 11 9.148 0.236 -0.843 1.00 0.00 C ATOM 330 C4' A A 11 8.458 0.541 0.486 1.00 0.00 C ATOM 331 O4' A A 11 7.375 1.459 0.326 1.00 0.00 O ATOM 332 C3' A A 11 7.818 -0.699 1.082 1.00 0.00 C ATOM 333 O3' A A 11 8.793 -1.400 1.859 1.00 0.00 O ATOM 334 C2' A A 11 6.788 -0.106 2.026 1.00 0.00 C ATOM 335 O2' A A 11 7.364 0.222 3.295 1.00 0.00 O ATOM 336 C1' A A 11 6.337 1.147 1.275 1.00 0.00 C ATOM 337 N9 A A 11 5.047 0.908 0.602 1.00 0.00 N ATOM 338 C8 A A 11 4.784 0.627 -0.698 1.00 0.00 C ATOM 339 N7 A A 11 3.550 0.437 -1.029 1.00 0.00 N ATOM 340 C5 A A 11 2.901 0.611 0.197 1.00 0.00 C ATOM 341 C6 A A 11 1.554 0.548 0.574 1.00 0.00 C ATOM 342 N6 A A 11 0.569 0.279 -0.283 1.00 0.00 N ATOM 343 N1 A A 11 1.263 0.773 1.867 1.00 0.00 N ATOM 344 C2 A A 11 2.234 1.042 2.741 1.00 0.00 C ATOM 345 N3 A A 11 3.537 1.127 2.494 1.00 0.00 N ATOM 346 C4 A A 11 3.804 0.899 1.193 1.00 0.00 C ATOM 0 H5' A A 11 9.844 1.040 -1.083 1.00 0.00 H new ATOM 0 H5'' A A 11 9.736 -0.677 -0.745 1.00 0.00 H new ATOM 0 H4' A A 11 9.245 0.945 1.122 1.00 0.00 H new ATOM 0 H3' A A 11 7.411 -1.387 0.341 1.00 0.00 H new ATOM 0 H2' A A 11 5.972 -0.789 2.261 1.00 0.00 H new ATOM 0 HO2' A A 11 8.163 -0.326 3.443 1.00 0.00 H new ATOM 0 H1' A A 11 6.183 1.983 1.957 1.00 0.00 H new ATOM 0 H8 A A 11 5.576 0.564 -1.429 1.00 0.00 H new ATOM 0 H61 A A 11 -0.397 0.245 0.044 1.00 0.00 H new ATOM 0 H62 A A 11 0.781 0.107 -1.266 1.00 0.00 H new ATOM 0 H2 A A 11 1.927 1.209 3.763 1.00 0.00 H new ATOM 358 P A A 12 8.739 -3.006 1.972 1.00 0.00 P ATOM 359 OP1 A A 12 9.919 -3.456 2.746 1.00 0.00 O ATOM 360 OP2 A A 12 8.489 -3.558 0.622 1.00 0.00 O ATOM 361 O5' A A 12 7.426 -3.258 2.871 1.00 0.00 O ATOM 362 C5' A A 12 7.530 -3.322 4.296 1.00 0.00 C ATOM 363 C4' A A 12 6.169 -3.513 4.962 1.00 0.00 C ATOM 364 O4' A A 12 5.215 -2.556 4.507 1.00 0.00 O ATOM 365 C3' A A 12 5.557 -4.853 4.609 1.00 0.00 C ATOM 366 O3' A A 12 6.036 -5.838 5.529 1.00 0.00 O ATOM 367 C2' A A 12 4.079 -4.622 4.880 1.00 0.00 C ATOM 368 O2' A A 12 3.749 -4.913 6.242 1.00 0.00 O ATOM 369 C1' A A 12 3.900 -3.134 4.568 1.00 0.00 C ATOM 370 N9 A A 12 3.177 -2.959 3.293 1.00 0.00 N ATOM 371 C8 A A 12 3.655 -2.703 2.051 1.00 0.00 C ATOM 372 N7 A A 12 2.797 -2.616 1.089 1.00 0.00 N ATOM 373 C5 A A 12 1.593 -2.838 1.765 1.00 0.00 C ATOM 374 C6 A A 12 0.262 -2.886 1.339 1.00 0.00 C ATOM 375 N6 A A 12 -0.106 -2.703 0.071 1.00 0.00 N ATOM 376 N1 A A 12 -0.677 -3.129 2.271 1.00 0.00 N ATOM 377 C2 A A 12 -0.332 -3.316 3.545 1.00 0.00 C ATOM 378 N3 A A 12 0.894 -3.293 4.056 1.00 0.00 N ATOM 379 C4 A A 12 1.817 -3.048 3.106 1.00 0.00 C ATOM 0 H5' A A 12 7.990 -2.406 4.667 1.00 0.00 H new ATOM 0 H5'' A A 12 8.188 -4.145 4.575 1.00 0.00 H new ATOM 0 H4' A A 12 6.366 -3.418 6.030 1.00 0.00 H new ATOM 0 H3' A A 12 5.781 -5.187 3.596 1.00 0.00 H new ATOM 0 H2' A A 12 3.428 -5.264 4.287 1.00 0.00 H new ATOM 0 HO2' A A 12 4.503 -5.368 6.671 1.00 0.00 H new ATOM 0 H1' A A 12 3.307 -2.640 5.337 1.00 0.00 H new ATOM 0 H8 A A 12 4.713 -2.577 1.872 1.00 0.00 H new ATOM 0 H61 A A 12 -1.092 -2.749 -0.185 1.00 0.00 H new ATOM 0 H62 A A 12 0.599 -2.517 -0.643 1.00 0.00 H new ATOM 0 H2 A A 12 -1.138 -3.507 4.238 1.00 0.00 H new ATOM 391 P C A 13 6.154 -7.380 5.079 1.00 0.00 P ATOM 392 OP1 C A 13 6.787 -8.136 6.183 1.00 0.00 O ATOM 393 OP2 C A 13 6.745 -7.423 3.723 1.00 0.00 O ATOM 394 O5' C A 13 4.613 -7.841 4.970 1.00 0.00 O ATOM 395 C5' C A 13 3.939 -8.393 6.104 1.00 0.00 C ATOM 396 C4' C A 13 2.476 -8.704 5.796 1.00 0.00 C ATOM 397 O4' C A 13 1.815 -7.584 5.213 1.00 0.00 O ATOM 398 C3' C A 13 2.355 -9.814 4.769 1.00 0.00 C ATOM 399 O3' C A 13 2.283 -11.065 5.459 1.00 0.00 O ATOM 400 C2' C A 13 1.003 -9.548 4.123 1.00 0.00 C ATOM 401 O2' C A 13 -0.042 -10.266 4.786 1.00 0.00 O ATOM 402 C1' C A 13 0.824 -8.036 4.277 1.00 0.00 C ATOM 403 N1 C A 13 0.974 -7.357 2.976 1.00 0.00 N ATOM 404 C2 C A 13 -0.170 -7.174 2.220 1.00 0.00 C ATOM 405 O2 C A 13 -1.257 -7.567 2.641 1.00 0.00 O ATOM 406 N3 C A 13 -0.054 -6.555 1.014 1.00 0.00 N ATOM 407 C4 C A 13 1.135 -6.133 0.568 1.00 0.00 C ATOM 408 N4 C A 13 1.209 -5.532 -0.619 1.00 0.00 N ATOM 409 C5 C A 13 2.320 -6.320 1.347 1.00 0.00 C ATOM 410 C6 C A 13 2.195 -6.934 2.539 1.00 0.00 C ATOM 0 H5' C A 13 3.994 -7.692 6.937 1.00 0.00 H new ATOM 0 H5'' C A 13 4.446 -9.305 6.420 1.00 0.00 H new ATOM 0 H4' C A 13 2.029 -8.982 6.750 1.00 0.00 H new ATOM 0 H3' C A 13 3.183 -9.845 4.061 1.00 0.00 H new ATOM 0 H2' C A 13 0.960 -9.875 3.084 1.00 0.00 H new ATOM 0 HO2' C A 13 -0.512 -10.832 4.139 1.00 0.00 H new ATOM 0 H1' C A 13 -0.176 -7.802 4.641 1.00 0.00 H new ATOM 0 H41 C A 13 2.109 -5.206 -0.970 1.00 0.00 H new ATOM 0 H42 C A 13 0.365 -5.398 -1.176 1.00 0.00 H new ATOM 0 H5 C A 13 3.282 -5.981 0.992 1.00 0.00 H new ATOM 0 H6 C A 13 3.069 -7.093 3.154 1.00 0.00 H new ATOM 422 P C A 14 2.581 -12.444 4.683 1.00 0.00 P ATOM 423 OP1 C A 14 2.689 -13.526 5.686 1.00 0.00 O ATOM 424 OP2 C A 14 3.688 -12.209 3.729 1.00 0.00 O ATOM 425 O5' C A 14 1.229 -12.675 3.840 1.00 0.00 O ATOM 426 C5' C A 14 0.140 -13.413 4.400 1.00 0.00 C ATOM 427 C4' C A 14 -1.097 -13.353 3.510 1.00 0.00 C ATOM 428 O4' C A 14 -1.291 -12.045 2.978 1.00 0.00 O ATOM 429 C3' C A 14 -0.949 -14.263 2.305 1.00 0.00 C ATOM 430 O3' C A 14 -1.348 -15.605 2.608 1.00 0.00 O ATOM 431 C2' C A 14 -1.882 -13.619 1.293 1.00 0.00 C ATOM 432 O2' C A 14 -3.216 -14.127 1.418 1.00 0.00 O ATOM 433 C1' C A 14 -1.817 -12.133 1.647 1.00 0.00 C ATOM 434 N1 C A 14 -0.966 -11.403 0.691 1.00 0.00 N ATOM 435 C2 C A 14 -1.570 -10.912 -0.455 1.00 0.00 C ATOM 436 O2 C A 14 -2.771 -11.093 -0.642 1.00 0.00 O ATOM 437 N3 C A 14 -0.800 -10.236 -1.352 1.00 0.00 N ATOM 438 C4 C A 14 0.507 -10.048 -1.132 1.00 0.00 C ATOM 439 N4 C A 14 1.232 -9.381 -2.031 1.00 0.00 N ATOM 440 C5 C A 14 1.135 -10.552 0.051 1.00 0.00 C ATOM 441 C6 C A 14 0.365 -11.221 0.930 1.00 0.00 C ATOM 0 H5' C A 14 -0.101 -13.015 5.386 1.00 0.00 H new ATOM 0 H5'' C A 14 0.438 -14.452 4.540 1.00 0.00 H new ATOM 0 H4' C A 14 -1.933 -13.654 4.142 1.00 0.00 H new ATOM 0 H3' C A 14 0.078 -14.353 1.952 1.00 0.00 H new ATOM 0 H2' C A 14 -1.594 -13.822 0.261 1.00 0.00 H new ATOM 0 HO2' C A 14 -3.185 -15.054 1.734 1.00 0.00 H new ATOM 0 HO3' C A 14 -1.242 -16.165 1.811 1.00 0.00 H new ATOM 0 H1' C A 14 -2.806 -11.678 1.594 1.00 0.00 H new ATOM 0 H41 C A 14 2.229 -9.232 -1.873 1.00 0.00 H new ATOM 0 H42 C A 14 0.790 -9.020 -2.876 1.00 0.00 H new ATOM 0 H5 C A 14 2.189 -10.401 0.232 1.00 0.00 H new ATOM 0 H6 C A 14 0.805 -11.617 1.833 1.00 0.00 H new TER 454 C A 14