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 -24:sc= 0.317 USER MOD Single : A 1 G O5' : rot 180:sc= -0.347 USER MOD Single : A 2 G O2' : rot -18:sc= 0.303 USER MOD Single : A 3 U O2' : rot 2:sc= 0.0695 USER MOD Single : A 4 U O2' : rot -16:sc= 0.326 USER MOD Single : A 5 C O2' : rot -15:sc= 0.41 USER MOD Single : A 6 A O2' : rot -5:sc= 0.0463 USER MOD Single : A 7 G O2' : rot 19:sc= 0.307 USER MOD Single : A 8 A O2' : rot -155:sc= -6.73! USER MOD Single : A 9 A O2' : rot -4:sc= 0.556 USER MOD Single : A 10 G O2' : rot -23:sc= 0.267 USER MOD Single : A 11 A O2' : rot -17:sc= 0.433 USER MOD Single : A 12 A O2' : rot -15:sc= 0.299 USER MOD Single : A 13 C O2' : rot -11:sc= 0.424 USER MOD Single : A 14 C O2' : rot -14:sc= 0.239 USER MOD Single : A 14 C O3' : rot 180:sc= 0.248 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.637 -4.808 -9.342 1.00 0.00 O ATOM 2 C5' G A 1 -6.003 -5.050 -9.689 1.00 0.00 C ATOM 3 C4' G A 1 -6.559 -6.271 -8.962 1.00 0.00 C ATOM 4 O4' G A 1 -5.626 -7.358 -8.986 1.00 0.00 O ATOM 5 C3' G A 1 -6.807 -5.967 -7.493 1.00 0.00 C ATOM 6 O3' G A 1 -8.181 -5.600 -7.335 1.00 0.00 O ATOM 7 C2' G A 1 -6.591 -7.308 -6.816 1.00 0.00 C ATOM 8 O2' G A 1 -7.789 -8.093 -6.811 1.00 0.00 O ATOM 9 C1' G A 1 -5.509 -7.945 -7.680 1.00 0.00 C ATOM 10 N9 G A 1 -4.171 -7.703 -7.109 1.00 0.00 N ATOM 11 C8 G A 1 -3.181 -6.882 -7.539 1.00 0.00 C ATOM 12 N7 G A 1 -2.090 -6.846 -6.848 1.00 0.00 N ATOM 13 C5 G A 1 -2.371 -7.755 -5.824 1.00 0.00 C ATOM 14 C6 G A 1 -1.567 -8.168 -4.726 1.00 0.00 C ATOM 15 O6 G A 1 -0.428 -7.807 -4.436 1.00 0.00 O ATOM 16 N1 G A 1 -2.228 -9.097 -3.932 1.00 0.00 N ATOM 17 C2 G A 1 -3.504 -9.573 -4.158 1.00 0.00 C ATOM 18 N2 G A 1 -3.965 -10.464 -3.281 1.00 0.00 N ATOM 19 N3 G A 1 -4.267 -9.189 -5.188 1.00 0.00 N ATOM 20 C4 G A 1 -3.644 -8.284 -5.977 1.00 0.00 C ATOM 0 H5' G A 1 -6.085 -5.198 -10.766 1.00 0.00 H new ATOM 0 H5'' G A 1 -6.603 -4.174 -9.442 1.00 0.00 H new ATOM 0 H4' G A 1 -7.484 -6.533 -9.475 1.00 0.00 H new ATOM 0 H3' G A 1 -6.176 -5.170 -7.098 1.00 0.00 H new ATOM 0 H2' G A 1 -6.311 -7.222 -5.766 1.00 0.00 H new ATOM 0 HO2' G A 1 -8.567 -7.502 -6.885 1.00 0.00 H new ATOM 0 HO5' G A 1 -4.311 -4.021 -9.826 1.00 0.00 H new ATOM 0 H1' G A 1 -5.636 -9.027 -7.729 1.00 0.00 H new ATOM 0 H8 G A 1 -3.300 -6.280 -8.427 1.00 0.00 H new ATOM 0 H1 G A 1 -1.731 -9.456 -3.117 1.00 0.00 H new ATOM 0 H21 G A 1 -4.901 -10.853 -3.394 1.00 0.00 H new ATOM 0 H22 G A 1 -3.382 -10.757 -2.497 1.00 0.00 H new ATOM 33 P G A 2 -8.586 -4.341 -6.417 1.00 0.00 P ATOM 34 OP1 G A 2 -9.925 -3.872 -6.837 1.00 0.00 O ATOM 35 OP2 G A 2 -7.446 -3.398 -6.397 1.00 0.00 O ATOM 36 O5' G A 2 -8.719 -5.001 -4.956 1.00 0.00 O ATOM 37 C5' G A 2 -9.966 -5.549 -4.521 1.00 0.00 C ATOM 38 C4' G A 2 -9.840 -6.221 -3.158 1.00 0.00 C ATOM 39 O4' G A 2 -8.774 -7.174 -3.139 1.00 0.00 O ATOM 40 C3' G A 2 -9.494 -5.212 -2.078 1.00 0.00 C ATOM 41 O3' G A 2 -10.707 -4.704 -1.519 1.00 0.00 O ATOM 42 C2' G A 2 -8.801 -6.067 -1.034 1.00 0.00 C ATOM 43 O2' G A 2 -9.744 -6.698 -0.160 1.00 0.00 O ATOM 44 C1' G A 2 -8.062 -7.090 -1.892 1.00 0.00 C ATOM 45 N9 G A 2 -6.661 -6.675 -2.102 1.00 0.00 N ATOM 46 C8 G A 2 -6.091 -6.056 -3.164 1.00 0.00 C ATOM 47 N7 G A 2 -4.833 -5.772 -3.086 1.00 0.00 N ATOM 48 C5 G A 2 -4.509 -6.260 -1.816 1.00 0.00 C ATOM 49 C6 G A 2 -3.266 -6.253 -1.125 1.00 0.00 C ATOM 50 O6 G A 2 -2.184 -5.808 -1.505 1.00 0.00 O ATOM 51 N1 G A 2 -3.377 -6.844 0.128 1.00 0.00 N ATOM 52 C2 G A 2 -4.535 -7.375 0.657 1.00 0.00 C ATOM 53 N2 G A 2 -4.438 -7.900 1.879 1.00 0.00 N ATOM 54 N3 G A 2 -5.707 -7.385 0.016 1.00 0.00 N ATOM 55 C4 G A 2 -5.625 -6.815 -1.208 1.00 0.00 C ATOM 0 H5' G A 2 -10.320 -6.274 -5.253 1.00 0.00 H new ATOM 0 H5'' G A 2 -10.713 -4.757 -4.469 1.00 0.00 H new ATOM 0 H4' G A 2 -10.804 -6.696 -2.975 1.00 0.00 H new ATOM 0 H3' G A 2 -8.897 -4.372 -2.432 1.00 0.00 H new ATOM 0 H2' G A 2 -8.147 -5.500 -0.371 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.607 -6.237 -0.222 1.00 0.00 H new ATOM 0 H1' G A 2 -8.029 -8.064 -1.404 1.00 0.00 H new ATOM 0 H8 G A 2 -6.667 -5.809 -4.043 1.00 0.00 H new ATOM 0 H1 G A 2 -2.535 -6.889 0.702 1.00 0.00 H new ATOM 0 H21 G A 2 -5.259 -8.309 2.325 1.00 0.00 H new ATOM 0 H22 G A 2 -3.543 -7.893 2.367 1.00 0.00 H new ATOM 67 P U A 3 -10.850 -3.136 -1.181 1.00 0.00 P ATOM 68 OP1 U A 3 -12.262 -2.864 -0.831 1.00 0.00 O ATOM 69 OP2 U A 3 -10.197 -2.367 -2.264 1.00 0.00 O ATOM 70 O5' U A 3 -9.961 -2.983 0.153 1.00 0.00 O ATOM 71 C5' U A 3 -10.551 -3.173 1.441 1.00 0.00 C ATOM 72 C4' U A 3 -9.512 -3.092 2.555 1.00 0.00 C ATOM 73 O4' U A 3 -8.447 -4.020 2.350 1.00 0.00 O ATOM 74 C3' U A 3 -8.837 -1.734 2.587 1.00 0.00 C ATOM 75 O3' U A 3 -9.605 -0.853 3.412 1.00 0.00 O ATOM 76 C2' U A 3 -7.528 -2.032 3.297 1.00 0.00 C ATOM 77 O2' U A 3 -7.668 -1.934 4.718 1.00 0.00 O ATOM 78 C1' U A 3 -7.222 -3.468 2.863 1.00 0.00 C ATOM 79 N1 U A 3 -6.158 -3.477 1.844 1.00 0.00 N ATOM 80 C2 U A 3 -4.853 -3.483 2.296 1.00 0.00 C ATOM 81 O2 U A 3 -4.577 -3.505 3.493 1.00 0.00 O ATOM 82 N3 U A 3 -3.873 -3.459 1.322 1.00 0.00 N ATOM 83 C4 U A 3 -4.081 -3.432 -0.046 1.00 0.00 C ATOM 84 O4 U A 3 -3.129 -3.411 -0.824 1.00 0.00 O ATOM 85 C5 U A 3 -5.476 -3.431 -0.428 1.00 0.00 C ATOM 86 C6 U A 3 -6.455 -3.454 0.509 1.00 0.00 C ATOM 0 H5' U A 3 -11.046 -4.144 1.475 1.00 0.00 H new ATOM 0 H5'' U A 3 -11.319 -2.417 1.604 1.00 0.00 H new ATOM 0 H4' U A 3 -10.061 -3.299 3.473 1.00 0.00 H new ATOM 0 H3' U A 3 -8.722 -1.277 1.604 1.00 0.00 H new ATOM 0 H2' U A 3 -6.734 -1.329 3.044 1.00 0.00 H new ATOM 0 HO2' U A 3 -8.600 -1.730 4.942 1.00 0.00 H new ATOM 0 H1' U A 3 -6.862 -4.067 3.699 1.00 0.00 H new ATOM 0 H3 U A 3 -2.904 -3.461 1.642 1.00 0.00 H new ATOM 0 H5 U A 3 -5.741 -3.412 -1.475 1.00 0.00 H new ATOM 0 H6 U A 3 -7.489 -3.454 0.196 1.00 0.00 H new ATOM 97 P U A 4 -9.310 0.731 3.399 1.00 0.00 P ATOM 98 OP1 U A 4 -10.316 1.396 4.256 1.00 0.00 O ATOM 99 OP2 U A 4 -9.140 1.158 1.993 1.00 0.00 O ATOM 100 O5' U A 4 -7.877 0.832 4.132 1.00 0.00 O ATOM 101 C5' U A 4 -7.804 0.978 5.553 1.00 0.00 C ATOM 102 C4' U A 4 -6.384 1.281 6.027 1.00 0.00 C ATOM 103 O4' U A 4 -5.449 0.302 5.575 1.00 0.00 O ATOM 104 C3' U A 4 -5.867 2.586 5.454 1.00 0.00 C ATOM 105 O3' U A 4 -6.295 3.665 6.287 1.00 0.00 O ATOM 106 C2' U A 4 -4.365 2.426 5.606 1.00 0.00 C ATOM 107 O2' U A 4 -3.927 2.818 6.913 1.00 0.00 O ATOM 108 C1' U A 4 -4.166 0.928 5.375 1.00 0.00 C ATOM 109 N1 U A 4 -3.654 0.684 4.015 1.00 0.00 N ATOM 110 C2 U A 4 -2.284 0.703 3.842 1.00 0.00 C ATOM 111 O2 U A 4 -1.511 0.899 4.777 1.00 0.00 O ATOM 112 N3 U A 4 -1.832 0.492 2.553 1.00 0.00 N ATOM 113 C4 U A 4 -2.620 0.266 1.438 1.00 0.00 C ATOM 114 O4 U A 4 -2.106 0.091 0.335 1.00 0.00 O ATOM 115 C5 U A 4 -4.039 0.261 1.712 1.00 0.00 C ATOM 116 C6 U A 4 -4.505 0.467 2.967 1.00 0.00 C ATOM 0 H5' U A 4 -8.157 0.064 6.030 1.00 0.00 H new ATOM 0 H5'' U A 4 -8.470 1.781 5.869 1.00 0.00 H new ATOM 0 H4' U A 4 -6.456 1.307 7.114 1.00 0.00 H new ATOM 0 H3' U A 4 -6.201 2.788 4.436 1.00 0.00 H new ATOM 0 H2' U A 4 -3.791 3.049 4.921 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.631 3.340 7.351 1.00 0.00 H new ATOM 0 H1' U A 4 -3.432 0.513 6.066 1.00 0.00 H new ATOM 0 H3 U A 4 -0.822 0.504 2.410 1.00 0.00 H new ATOM 0 H5 U A 4 -4.737 0.091 0.906 1.00 0.00 H new ATOM 0 H6 U A 4 -5.570 0.460 3.144 1.00 0.00 H new ATOM 127 P C A 5 -6.396 5.157 5.690 1.00 0.00 P ATOM 128 OP1 C A 5 -6.897 6.051 6.758 1.00 0.00 O ATOM 129 OP2 C A 5 -7.105 5.089 4.393 1.00 0.00 O ATOM 130 O5' C A 5 -4.854 5.531 5.401 1.00 0.00 O ATOM 131 C5' C A 5 -4.063 6.164 6.410 1.00 0.00 C ATOM 132 C4' C A 5 -2.635 6.420 5.934 1.00 0.00 C ATOM 133 O4' C A 5 -2.071 5.268 5.317 1.00 0.00 O ATOM 134 C3' C A 5 -2.593 7.492 4.862 1.00 0.00 C ATOM 135 O3' C A 5 -2.444 8.765 5.497 1.00 0.00 O ATOM 136 C2' C A 5 -1.306 7.182 4.109 1.00 0.00 C ATOM 137 O2' C A 5 -0.207 7.939 4.628 1.00 0.00 O ATOM 138 C1' C A 5 -1.104 5.680 4.338 1.00 0.00 C ATOM 139 N1 C A 5 -1.274 4.936 3.077 1.00 0.00 N ATOM 140 C2 C A 5 -0.159 4.796 2.266 1.00 0.00 C ATOM 141 O2 C A 5 0.918 5.275 2.614 1.00 0.00 O ATOM 142 N3 C A 5 -0.295 4.122 1.093 1.00 0.00 N ATOM 143 C4 C A 5 -1.476 3.606 0.730 1.00 0.00 C ATOM 144 N4 C A 5 -1.575 2.952 -0.427 1.00 0.00 N ATOM 145 C5 C A 5 -2.629 3.748 1.564 1.00 0.00 C ATOM 146 C6 C A 5 -2.485 4.418 2.723 1.00 0.00 C ATOM 0 H5' C A 5 -4.042 5.537 7.302 1.00 0.00 H new ATOM 0 H5'' C A 5 -4.526 7.109 6.695 1.00 0.00 H new ATOM 0 H4' C A 5 -2.083 6.711 6.828 1.00 0.00 H new ATOM 0 H3' C A 5 -3.481 7.512 4.230 1.00 0.00 H new ATOM 0 H2' C A 5 -1.363 7.442 3.052 1.00 0.00 H new ATOM 0 HO2' C A 5 -0.547 8.668 5.187 1.00 0.00 H new ATOM 0 H1' C A 5 -0.094 5.473 4.693 1.00 0.00 H new ATOM 0 H41 C A 5 -2.470 2.555 -0.713 1.00 0.00 H new ATOM 0 H42 C A 5 -0.756 2.849 -1.026 1.00 0.00 H new ATOM 0 H5 C A 5 -3.583 3.332 1.274 1.00 0.00 H new ATOM 0 H6 C A 5 -3.335 4.546 3.377 1.00 0.00 H new ATOM 158 P A A 6 -2.773 10.123 4.694 1.00 0.00 P ATOM 159 OP1 A A 6 -1.998 11.224 5.308 1.00 0.00 O ATOM 160 OP2 A A 6 -4.243 10.237 4.565 1.00 0.00 O ATOM 161 O5' A A 6 -2.160 9.828 3.234 1.00 0.00 O ATOM 162 C5' A A 6 -1.378 10.819 2.559 1.00 0.00 C ATOM 163 C4' A A 6 -0.480 10.192 1.494 1.00 0.00 C ATOM 164 O4' A A 6 -0.566 8.770 1.525 1.00 0.00 O ATOM 165 C3' A A 6 -0.912 10.597 0.095 1.00 0.00 C ATOM 166 O3' A A 6 -0.140 11.737 -0.298 1.00 0.00 O ATOM 167 C2' A A 6 -0.492 9.419 -0.773 1.00 0.00 C ATOM 168 O2' A A 6 0.796 9.639 -1.358 1.00 0.00 O ATOM 169 C1' A A 6 -0.470 8.236 0.197 1.00 0.00 C ATOM 170 N9 A A 6 -1.584 7.308 -0.081 1.00 0.00 N ATOM 171 C8 A A 6 -2.747 7.120 0.591 1.00 0.00 C ATOM 172 N7 A A 6 -3.566 6.232 0.133 1.00 0.00 N ATOM 173 C5 A A 6 -2.873 5.761 -0.986 1.00 0.00 C ATOM 174 C6 A A 6 -3.174 4.790 -1.949 1.00 0.00 C ATOM 175 N6 A A 6 -4.305 4.081 -1.944 1.00 0.00 N ATOM 176 N1 A A 6 -2.266 4.576 -2.919 1.00 0.00 N ATOM 177 C2 A A 6 -1.129 5.273 -2.943 1.00 0.00 C ATOM 178 N3 A A 6 -0.742 6.212 -2.085 1.00 0.00 N ATOM 179 C4 A A 6 -1.666 6.409 -1.124 1.00 0.00 C ATOM 0 H5' A A 6 -0.765 11.356 3.283 1.00 0.00 H new ATOM 0 H5'' A A 6 -2.038 11.551 2.095 1.00 0.00 H new ATOM 0 H4' A A 6 0.530 10.539 1.713 1.00 0.00 H new ATOM 0 H3' A A 6 -1.974 10.833 0.021 1.00 0.00 H new ATOM 0 H2' A A 6 -1.166 9.256 -1.614 1.00 0.00 H new ATOM 0 HO2' A A 6 1.101 10.546 -1.146 1.00 0.00 H new ATOM 0 H1' A A 6 0.452 7.666 0.083 1.00 0.00 H new ATOM 0 H8 A A 6 -2.980 7.692 1.477 1.00 0.00 H new ATOM 0 H61 A A 6 -4.474 3.385 -2.670 1.00 0.00 H new ATOM 0 H62 A A 6 -5.000 4.235 -1.214 1.00 0.00 H new ATOM 0 H2 A A 6 -0.446 5.050 -3.750 1.00 0.00 H new ATOM 191 P G A 7 -0.804 12.917 -1.170 1.00 0.00 P ATOM 192 OP1 G A 7 0.283 13.780 -1.683 1.00 0.00 O ATOM 193 OP2 G A 7 -1.908 13.511 -0.382 1.00 0.00 O ATOM 194 O5' G A 7 -1.445 12.121 -2.416 1.00 0.00 O ATOM 195 C5' G A 7 -0.614 11.653 -3.483 1.00 0.00 C ATOM 196 C4' G A 7 -1.354 10.671 -4.386 1.00 0.00 C ATOM 197 O4' G A 7 -1.922 9.603 -3.625 1.00 0.00 O ATOM 198 C3' G A 7 -2.510 11.354 -5.119 1.00 0.00 C ATOM 199 O3' G A 7 -2.452 10.963 -6.497 1.00 0.00 O ATOM 200 C2' G A 7 -3.765 10.745 -4.506 1.00 0.00 C ATOM 201 O2' G A 7 -4.811 10.613 -5.473 1.00 0.00 O ATOM 202 C1' G A 7 -3.268 9.390 -4.037 1.00 0.00 C ATOM 203 N9 G A 7 -4.088 8.865 -2.929 1.00 0.00 N ATOM 204 C8 G A 7 -4.697 7.663 -2.810 1.00 0.00 C ATOM 205 N7 G A 7 -5.362 7.431 -1.729 1.00 0.00 N ATOM 206 C5 G A 7 -5.184 8.625 -1.023 1.00 0.00 C ATOM 207 C6 G A 7 -5.672 9.007 0.255 1.00 0.00 C ATOM 208 O6 G A 7 -6.371 8.357 1.029 1.00 0.00 O ATOM 209 N1 G A 7 -5.262 10.291 0.595 1.00 0.00 N ATOM 210 C2 G A 7 -4.480 11.111 -0.194 1.00 0.00 C ATOM 211 N2 G A 7 -4.192 12.311 0.309 1.00 0.00 N ATOM 212 N3 G A 7 -4.016 10.760 -1.399 1.00 0.00 N ATOM 213 C4 G A 7 -4.403 9.510 -1.752 1.00 0.00 C ATOM 0 H5' G A 7 0.272 11.171 -3.070 1.00 0.00 H new ATOM 0 H5'' G A 7 -0.268 12.501 -4.074 1.00 0.00 H new ATOM 0 H4' G A 7 -0.618 10.294 -5.096 1.00 0.00 H new ATOM 0 H3' G A 7 -2.483 12.441 -5.042 1.00 0.00 H new ATOM 0 H2' G A 7 -4.199 11.350 -3.710 1.00 0.00 H new ATOM 0 HO2' G A 7 -4.429 10.651 -6.375 1.00 0.00 H new ATOM 0 H1' G A 7 -3.335 8.645 -4.830 1.00 0.00 H new ATOM 0 H8 G A 7 -4.629 6.923 -3.593 1.00 0.00 H new ATOM 0 H1 G A 7 -5.563 10.656 1.499 1.00 0.00 H new ATOM 0 H21 G A 7 -3.618 12.964 -0.225 1.00 0.00 H new ATOM 0 H22 G A 7 -4.545 12.577 1.228 1.00 0.00 H new ATOM 225 P A A 8 -2.025 12.024 -7.630 1.00 0.00 P ATOM 226 OP1 A A 8 -0.994 12.920 -7.060 1.00 0.00 O ATOM 227 OP2 A A 8 -3.258 12.598 -8.213 1.00 0.00 O ATOM 228 O5' A A 8 -1.322 11.101 -8.749 1.00 0.00 O ATOM 229 C5' A A 8 -1.413 9.673 -8.694 1.00 0.00 C ATOM 230 C4' A A 8 -0.244 9.013 -9.423 1.00 0.00 C ATOM 231 O4' A A 8 1.001 9.652 -9.097 1.00 0.00 O ATOM 232 C3' A A 8 -0.083 7.555 -8.998 1.00 0.00 C ATOM 233 O3' A A 8 0.506 6.836 -10.088 1.00 0.00 O ATOM 234 C2' A A 8 0.946 7.647 -7.892 1.00 0.00 C ATOM 235 O2' A A 8 1.615 6.400 -7.684 1.00 0.00 O ATOM 236 C1' A A 8 1.871 8.702 -8.467 1.00 0.00 C ATOM 237 N9 A A 8 2.697 9.333 -7.422 1.00 0.00 N ATOM 238 C8 A A 8 2.333 9.889 -6.242 1.00 0.00 C ATOM 239 N7 A A 8 3.266 10.391 -5.504 1.00 0.00 N ATOM 240 C5 A A 8 4.403 10.144 -6.283 1.00 0.00 C ATOM 241 C6 A A 8 5.762 10.421 -6.096 1.00 0.00 C ATOM 242 N6 A A 8 6.239 11.041 -5.017 1.00 0.00 N ATOM 243 N1 A A 8 6.610 10.037 -7.066 1.00 0.00 N ATOM 244 C2 A A 8 6.154 9.416 -8.156 1.00 0.00 C ATOM 245 N3 A A 8 4.893 9.106 -8.434 1.00 0.00 N ATOM 246 C4 A A 8 4.062 9.500 -7.450 1.00 0.00 C ATOM 0 H5' A A 8 -2.353 9.349 -9.141 1.00 0.00 H new ATOM 0 H5'' A A 8 -1.426 9.347 -7.654 1.00 0.00 H new ATOM 0 H4' A A 8 -0.468 9.097 -10.486 1.00 0.00 H new ATOM 0 H3' A A 8 -1.014 7.070 -8.707 1.00 0.00 H new ATOM 0 H2' A A 8 0.541 7.888 -6.909 1.00 0.00 H new ATOM 0 HO2' A A 8 1.948 6.357 -6.763 1.00 0.00 H new ATOM 0 H1' A A 8 2.584 8.273 -9.172 1.00 0.00 H new ATOM 0 H8 A A 8 1.299 9.912 -5.929 1.00 0.00 H new ATOM 0 H61 A A 8 7.240 11.218 -4.931 1.00 0.00 H new ATOM 0 H62 A A 8 5.603 11.338 -4.277 1.00 0.00 H new ATOM 0 H2 A A 8 6.892 9.135 -8.893 1.00 0.00 H new ATOM 258 P A A 9 0.168 5.282 -10.333 1.00 0.00 P ATOM 259 OP1 A A 9 -0.546 5.161 -11.623 1.00 0.00 O ATOM 260 OP2 A A 9 -0.441 4.740 -9.098 1.00 0.00 O ATOM 261 O5' A A 9 1.634 4.627 -10.504 1.00 0.00 O ATOM 262 C5' A A 9 2.341 4.133 -9.364 1.00 0.00 C ATOM 263 C4' A A 9 3.721 4.782 -9.225 1.00 0.00 C ATOM 264 O4' A A 9 3.591 6.054 -8.575 1.00 0.00 O ATOM 265 C3' A A 9 4.653 3.939 -8.348 1.00 0.00 C ATOM 266 O3' A A 9 5.709 3.418 -9.151 1.00 0.00 O ATOM 267 C2' A A 9 5.315 4.933 -7.407 1.00 0.00 C ATOM 268 O2' A A 9 6.596 5.343 -7.900 1.00 0.00 O ATOM 269 C1' A A 9 4.348 6.093 -7.359 1.00 0.00 C ATOM 270 N9 A A 9 3.501 5.993 -6.150 1.00 0.00 N ATOM 271 C8 A A 9 2.553 5.081 -5.812 1.00 0.00 C ATOM 272 N7 A A 9 2.002 5.195 -4.652 1.00 0.00 N ATOM 273 C5 A A 9 2.654 6.319 -4.140 1.00 0.00 C ATOM 274 C6 A A 9 2.549 7.001 -2.926 1.00 0.00 C ATOM 275 N6 A A 9 1.709 6.639 -1.959 1.00 0.00 N ATOM 276 N1 A A 9 3.342 8.071 -2.748 1.00 0.00 N ATOM 277 C2 A A 9 4.190 8.448 -3.705 1.00 0.00 C ATOM 278 N3 A A 9 4.370 7.877 -4.891 1.00 0.00 N ATOM 279 C4 A A 9 3.566 6.809 -5.046 1.00 0.00 C ATOM 0 H5' A A 9 2.454 3.052 -9.447 1.00 0.00 H new ATOM 0 H5'' A A 9 1.757 4.324 -8.464 1.00 0.00 H new ATOM 0 H4' A A 9 4.133 4.876 -10.230 1.00 0.00 H new ATOM 0 H3' A A 9 4.108 3.135 -7.853 1.00 0.00 H new ATOM 0 H2' A A 9 5.507 4.509 -6.421 1.00 0.00 H new ATOM 0 HO2' A A 9 6.810 4.839 -8.713 1.00 0.00 H new ATOM 0 H1' A A 9 4.861 7.052 -7.289 1.00 0.00 H new ATOM 0 H8 A A 9 2.271 4.289 -6.490 1.00 0.00 H new ATOM 0 H61 A A 9 1.671 7.172 -1.090 1.00 0.00 H new ATOM 0 H62 A A 9 1.103 5.829 -2.087 1.00 0.00 H new ATOM 0 H2 A A 9 4.799 9.314 -3.492 1.00 0.00 H new ATOM 291 P G A 10 6.527 2.123 -8.650 1.00 0.00 P ATOM 292 OP1 G A 10 7.841 2.113 -9.332 1.00 0.00 O ATOM 293 OP2 G A 10 5.636 0.945 -8.749 1.00 0.00 O ATOM 294 O5' G A 10 6.773 2.442 -7.084 1.00 0.00 O ATOM 295 C5' G A 10 8.092 2.719 -6.596 1.00 0.00 C ATOM 296 C4' G A 10 8.082 3.256 -5.162 1.00 0.00 C ATOM 297 O4' G A 10 7.009 4.177 -4.944 1.00 0.00 O ATOM 298 C3' G A 10 7.859 2.150 -4.147 1.00 0.00 C ATOM 299 O3' G A 10 9.125 1.588 -3.789 1.00 0.00 O ATOM 300 C2' G A 10 7.318 2.917 -2.955 1.00 0.00 C ATOM 301 O2' G A 10 8.374 3.505 -2.185 1.00 0.00 O ATOM 302 C1' G A 10 6.454 3.980 -3.628 1.00 0.00 C ATOM 303 N9 G A 10 5.047 3.537 -3.698 1.00 0.00 N ATOM 304 C8 G A 10 4.398 2.867 -4.681 1.00 0.00 C ATOM 305 N7 G A 10 3.154 2.583 -4.493 1.00 0.00 N ATOM 306 C5 G A 10 2.925 3.125 -3.226 1.00 0.00 C ATOM 307 C6 G A 10 1.739 3.144 -2.445 1.00 0.00 C ATOM 308 O6 G A 10 0.636 2.677 -2.722 1.00 0.00 O ATOM 309 N1 G A 10 1.938 3.788 -1.231 1.00 0.00 N ATOM 310 C2 G A 10 3.129 4.348 -0.814 1.00 0.00 C ATOM 311 N2 G A 10 3.119 4.925 0.388 1.00 0.00 N ATOM 312 N3 G A 10 4.250 4.336 -1.543 1.00 0.00 N ATOM 313 C4 G A 10 4.081 3.712 -2.731 1.00 0.00 C ATOM 0 H5' G A 10 8.573 3.446 -7.250 1.00 0.00 H new ATOM 0 H5'' G A 10 8.690 1.809 -6.636 1.00 0.00 H new ATOM 0 H4' G A 10 9.054 3.732 -5.036 1.00 0.00 H new ATOM 0 H3' G A 10 7.213 1.345 -4.498 1.00 0.00 H new ATOM 0 H2' G A 10 6.774 2.296 -2.243 1.00 0.00 H new ATOM 0 HO2' G A 10 9.207 3.014 -2.344 1.00 0.00 H new ATOM 0 H1' G A 10 6.456 4.913 -3.065 1.00 0.00 H new ATOM 0 H8 G A 10 4.905 2.581 -5.591 1.00 0.00 H new ATOM 0 H1 G A 10 1.141 3.852 -0.597 1.00 0.00 H new ATOM 0 H21 G A 10 3.968 5.357 0.753 1.00 0.00 H new ATOM 0 H22 G A 10 2.263 4.934 0.942 1.00 0.00 H new ATOM 325 P A A 11 9.232 0.042 -3.349 1.00 0.00 P ATOM 326 OP1 A A 11 10.660 -0.281 -3.135 1.00 0.00 O ATOM 327 OP2 A A 11 8.426 -0.765 -4.292 1.00 0.00 O ATOM 328 O5' A A 11 8.495 0.030 -1.917 1.00 0.00 O ATOM 329 C5' A A 11 9.240 0.257 -0.719 1.00 0.00 C ATOM 330 C4' A A 11 8.329 0.460 0.489 1.00 0.00 C ATOM 331 O4' A A 11 7.222 1.301 0.182 1.00 0.00 O ATOM 332 C3' A A 11 7.701 -0.845 0.936 1.00 0.00 C ATOM 333 O3' A A 11 8.588 -1.494 1.848 1.00 0.00 O ATOM 334 C2' A A 11 6.476 -0.379 1.707 1.00 0.00 C ATOM 335 O2' A A 11 6.779 -0.168 3.091 1.00 0.00 O ATOM 336 C1' A A 11 6.104 0.933 1.009 1.00 0.00 C ATOM 337 N9 A A 11 4.878 0.759 0.209 1.00 0.00 N ATOM 338 C8 A A 11 4.731 0.532 -1.120 1.00 0.00 C ATOM 339 N7 A A 11 3.530 0.385 -1.569 1.00 0.00 N ATOM 340 C5 A A 11 2.772 0.529 -0.402 1.00 0.00 C ATOM 341 C6 A A 11 1.397 0.485 -0.152 1.00 0.00 C ATOM 342 N6 A A 11 0.490 0.270 -1.104 1.00 0.00 N ATOM 343 N1 A A 11 0.993 0.668 1.116 1.00 0.00 N ATOM 344 C2 A A 11 1.883 0.884 2.086 1.00 0.00 C ATOM 345 N3 A A 11 3.206 0.945 1.962 1.00 0.00 N ATOM 346 C4 A A 11 3.587 0.758 0.683 1.00 0.00 C ATOM 0 H5' A A 11 9.874 1.134 -0.847 1.00 0.00 H new ATOM 0 H5'' A A 11 9.901 -0.590 -0.537 1.00 0.00 H new ATOM 0 H4' A A 11 8.970 0.894 1.256 1.00 0.00 H new ATOM 0 H3' A A 11 7.480 -1.531 0.118 1.00 0.00 H new ATOM 0 H2' A A 11 5.666 -1.108 1.703 1.00 0.00 H new ATOM 0 HO2' A A 11 7.618 -0.623 3.315 1.00 0.00 H new ATOM 0 H1' A A 11 5.898 1.720 1.734 1.00 0.00 H new ATOM 0 H8 A A 11 5.586 0.476 -1.777 1.00 0.00 H new ATOM 0 H61 A A 11 -0.502 0.248 -0.868 1.00 0.00 H new ATOM 0 H62 A A 11 0.788 0.128 -2.069 1.00 0.00 H new ATOM 0 H2 A A 11 1.486 1.025 3.080 1.00 0.00 H new ATOM 358 P A A 12 8.520 -3.091 2.047 1.00 0.00 P ATOM 359 OP1 A A 12 9.707 -3.510 2.827 1.00 0.00 O ATOM 360 OP2 A A 12 8.246 -3.710 0.731 1.00 0.00 O ATOM 361 O5' A A 12 7.217 -3.277 2.975 1.00 0.00 O ATOM 362 C5' A A 12 7.339 -3.265 4.398 1.00 0.00 C ATOM 363 C4' A A 12 6.000 -3.517 5.087 1.00 0.00 C ATOM 364 O4' A A 12 4.996 -2.603 4.648 1.00 0.00 O ATOM 365 C3' A A 12 5.447 -4.886 4.745 1.00 0.00 C ATOM 366 O3' A A 12 5.987 -5.843 5.659 1.00 0.00 O ATOM 367 C2' A A 12 3.968 -4.719 5.037 1.00 0.00 C ATOM 368 O2' A A 12 3.680 -4.950 6.422 1.00 0.00 O ATOM 369 C1' A A 12 3.715 -3.261 4.649 1.00 0.00 C ATOM 370 N9 A A 12 3.071 -3.183 3.324 1.00 0.00 N ATOM 371 C8 A A 12 3.630 -3.091 2.091 1.00 0.00 C ATOM 372 N7 A A 12 2.832 -3.062 1.076 1.00 0.00 N ATOM 373 C5 A A 12 1.581 -3.145 1.697 1.00 0.00 C ATOM 374 C6 A A 12 0.273 -3.165 1.200 1.00 0.00 C ATOM 375 N6 A A 12 -0.014 -3.102 -0.100 1.00 0.00 N ATOM 376 N1 A A 12 -0.728 -3.255 2.093 1.00 0.00 N ATOM 377 C2 A A 12 -0.464 -3.319 3.398 1.00 0.00 C ATOM 378 N3 A A 12 0.733 -3.308 3.979 1.00 0.00 N ATOM 379 C4 A A 12 1.719 -3.218 3.065 1.00 0.00 C ATOM 0 H5' A A 12 7.737 -2.303 4.720 1.00 0.00 H new ATOM 0 H5'' A A 12 8.055 -4.026 4.707 1.00 0.00 H new ATOM 0 H4' A A 12 6.207 -3.411 6.152 1.00 0.00 H new ATOM 0 H3' A A 12 5.670 -5.216 3.730 1.00 0.00 H new ATOM 0 H2' A A 12 3.337 -5.426 4.498 1.00 0.00 H new ATOM 0 HO2' A A 12 4.446 -5.391 6.846 1.00 0.00 H new ATOM 0 H1' A A 12 3.039 -2.777 5.354 1.00 0.00 H new ATOM 0 H8 A A 12 4.701 -3.044 1.963 1.00 0.00 H new ATOM 0 H61 A A 12 -0.986 -3.120 -0.409 1.00 0.00 H new ATOM 0 H62 A A 12 0.738 -3.036 -0.786 1.00 0.00 H new ATOM 0 H2 A A 12 -1.317 -3.387 4.057 1.00 0.00 H new ATOM 391 P C A 13 6.084 -7.398 5.245 1.00 0.00 P ATOM 392 OP1 C A 13 6.636 -8.149 6.394 1.00 0.00 O ATOM 393 OP2 C A 13 6.742 -7.484 3.921 1.00 0.00 O ATOM 394 O5' C A 13 4.538 -7.812 5.067 1.00 0.00 O ATOM 395 C5' C A 13 3.785 -8.294 6.182 1.00 0.00 C ATOM 396 C4' C A 13 2.340 -8.603 5.799 1.00 0.00 C ATOM 397 O4' C A 13 1.716 -7.495 5.158 1.00 0.00 O ATOM 398 C3' C A 13 2.265 -9.728 4.785 1.00 0.00 C ATOM 399 O3' C A 13 2.183 -10.970 5.490 1.00 0.00 O ATOM 400 C2' C A 13 0.931 -9.483 4.089 1.00 0.00 C ATOM 401 O2' C A 13 -0.121 -10.235 4.704 1.00 0.00 O ATOM 402 C1' C A 13 0.709 -7.976 4.255 1.00 0.00 C ATOM 403 N1 C A 13 0.789 -7.289 2.952 1.00 0.00 N ATOM 404 C2 C A 13 -0.393 -7.114 2.252 1.00 0.00 C ATOM 405 O2 C A 13 -1.453 -7.515 2.726 1.00 0.00 O ATOM 406 N3 C A 13 -0.341 -6.493 1.043 1.00 0.00 N ATOM 407 C4 C A 13 0.821 -6.060 0.539 1.00 0.00 C ATOM 408 N4 C A 13 0.831 -5.458 -0.650 1.00 0.00 N ATOM 409 C5 C A 13 2.046 -6.239 1.258 1.00 0.00 C ATOM 410 C6 C A 13 1.984 -6.855 2.455 1.00 0.00 C ATOM 0 H5' C A 13 3.799 -7.550 6.979 1.00 0.00 H new ATOM 0 H5'' C A 13 4.257 -9.194 6.578 1.00 0.00 H new ATOM 0 H4' C A 13 1.845 -8.860 6.735 1.00 0.00 H new ATOM 0 H3' C A 13 3.116 -9.761 4.105 1.00 0.00 H new ATOM 0 H2' C A 13 0.936 -9.796 3.045 1.00 0.00 H new ATOM 0 HO2' C A 13 0.264 -10.886 5.328 1.00 0.00 H new ATOM 0 H1' C A 13 -0.285 -7.774 4.655 1.00 0.00 H new ATOM 0 H41 C A 13 1.710 -5.124 -1.045 1.00 0.00 H new ATOM 0 H42 C A 13 -0.040 -5.332 -1.165 1.00 0.00 H new ATOM 0 H5 C A 13 2.986 -5.893 0.855 1.00 0.00 H new ATOM 0 H6 C A 13 2.888 -7.007 3.026 1.00 0.00 H new ATOM 422 P C A 14 2.935 -12.277 4.925 1.00 0.00 P ATOM 423 OP1 C A 14 2.998 -13.279 6.011 1.00 0.00 O ATOM 424 OP2 C A 14 4.179 -11.840 4.251 1.00 0.00 O ATOM 425 O5' C A 14 1.916 -12.816 3.801 1.00 0.00 O ATOM 426 C5' C A 14 0.893 -13.754 4.141 1.00 0.00 C ATOM 427 C4' C A 14 -0.239 -13.752 3.117 1.00 0.00 C ATOM 428 O4' C A 14 -0.552 -12.431 2.691 1.00 0.00 O ATOM 429 C3' C A 14 0.163 -14.492 1.856 1.00 0.00 C ATOM 430 O3' C A 14 -0.052 -15.902 1.983 1.00 0.00 O ATOM 431 C2' C A 14 -0.758 -13.879 0.808 1.00 0.00 C ATOM 432 O2' C A 14 -1.969 -14.632 0.676 1.00 0.00 O ATOM 433 C1' C A 14 -1.034 -12.471 1.342 1.00 0.00 C ATOM 434 N1 C A 14 -0.367 -11.451 0.510 1.00 0.00 N ATOM 435 C2 C A 14 -1.069 -10.959 -0.578 1.00 0.00 C ATOM 436 O2 C A 14 -2.203 -11.371 -0.817 1.00 0.00 O ATOM 437 N3 C A 14 -0.472 -10.019 -1.361 1.00 0.00 N ATOM 438 C4 C A 14 0.763 -9.580 -1.088 1.00 0.00 C ATOM 439 N4 C A 14 1.316 -8.659 -1.877 1.00 0.00 N ATOM 440 C5 C A 14 1.492 -10.084 0.035 1.00 0.00 C ATOM 441 C6 C A 14 0.892 -11.015 0.804 1.00 0.00 C ATOM 0 H5' C A 14 0.493 -13.514 5.126 1.00 0.00 H new ATOM 0 H5'' C A 14 1.323 -14.754 4.206 1.00 0.00 H new ATOM 0 H4' C A 14 -1.087 -14.225 3.613 1.00 0.00 H new ATOM 0 H3' C A 14 1.221 -14.394 1.615 1.00 0.00 H new ATOM 0 H2' C A 14 -0.314 -13.870 -0.187 1.00 0.00 H new ATOM 0 HO2' C A 14 -1.865 -15.499 1.120 1.00 0.00 H new ATOM 0 HO3' C A 14 0.215 -16.350 1.153 1.00 0.00 H new ATOM 0 H1' C A 14 -2.101 -12.250 1.310 1.00 0.00 H new ATOM 0 H41 C A 14 2.256 -8.316 -1.680 1.00 0.00 H new ATOM 0 H42 C A 14 0.799 -8.297 -2.678 1.00 0.00 H new ATOM 0 H5 C A 14 2.488 -9.731 0.259 1.00 0.00 H new ATOM 0 H6 C A 14 1.412 -11.419 1.660 1.00 0.00 H new TER 454 C A 14