USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 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 180:sc= -0.488 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 180:sc= -0.523 USER MOD Single : A 3 A O2' : rot -11:sc= -0.946 USER MOD Single : A 4 G O2' : rot -15:sc= -0.644 USER MOD Single : A 5 U O2' : rot -5:sc= 0.139 USER MOD Single : A 6 U O2' : rot -16:sc= -0.415 USER MOD Single : A 7 C O2' : rot -7:sc= -0.464 USER MOD Single : A 8 C O2' : rot -32:sc= 0.199 USER MOD Single : A 8 C O3' : rot 180:sc= 0.19 USER MOD Single : B 9 G O2' : rot 180:sc= -0.484 USER MOD Single : B 9 G O5' : rot 180:sc=-0.00158 USER MOD Single : B 10 G O2' : rot 180:sc= -0.539 USER MOD Single : B 11 A O2' : rot -10:sc= -0.971 USER MOD Single : B 12 G O2' : rot -25:sc= -0.615 USER MOD Single : B 13 U O2' : rot -6:sc= 0.129 USER MOD Single : B 14 U O2' : rot -14:sc= -0.48 USER MOD Single : B 15 C O2' : rot -8:sc= -0.442 USER MOD Single : B 16 C O2' : rot -26:sc= 0.186 USER MOD Single : B 16 C O3' : rot 180:sc= 0.213 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.062 -8.042 3.802 1.00 0.00 O ATOM 2 C5' G A 1 6.433 -8.334 3.628 1.00 0.00 C ATOM 3 C4' G A 1 7.206 -7.061 3.271 1.00 0.00 C ATOM 4 O4' G A 1 6.755 -6.501 2.039 1.00 0.00 O ATOM 5 C3' G A 1 7.028 -5.953 4.290 1.00 0.00 C ATOM 6 O3' G A 1 7.786 -6.155 5.466 1.00 0.00 O ATOM 7 C2' G A 1 7.532 -4.787 3.484 1.00 0.00 C ATOM 8 O2' G A 1 8.939 -4.845 3.383 1.00 0.00 O ATOM 9 C1' G A 1 6.936 -5.077 2.115 1.00 0.00 C ATOM 10 N9 G A 1 5.635 -4.391 1.982 1.00 0.00 N ATOM 11 C8 G A 1 4.369 -4.897 2.130 1.00 0.00 C ATOM 12 N7 G A 1 3.423 -4.019 1.940 1.00 0.00 N ATOM 13 C5 G A 1 4.110 -2.845 1.645 1.00 0.00 C ATOM 14 C6 G A 1 3.614 -1.543 1.343 1.00 0.00 C ATOM 15 O6 G A 1 2.445 -1.169 1.279 1.00 0.00 O ATOM 16 N1 G A 1 4.647 -0.644 1.103 1.00 0.00 N ATOM 17 C2 G A 1 5.990 -0.951 1.151 1.00 0.00 C ATOM 18 N2 G A 1 6.845 0.045 0.904 1.00 0.00 N ATOM 19 N3 G A 1 6.459 -2.171 1.433 1.00 0.00 N ATOM 20 C4 G A 1 5.466 -3.065 1.668 1.00 0.00 C ATOM 0 H5' G A 1 6.557 -9.076 2.839 1.00 0.00 H new ATOM 0 H5'' G A 1 6.838 -8.769 4.542 1.00 0.00 H new ATOM 0 H4' G A 1 8.246 -7.385 3.225 1.00 0.00 H new ATOM 0 H3' G A 1 6.014 -5.852 4.676 1.00 0.00 H new ATOM 0 H2' G A 1 7.272 -3.816 3.904 1.00 0.00 H new ATOM 0 HO2' G A 1 9.261 -4.084 2.856 1.00 0.00 H new ATOM 0 HO5' G A 1 4.579 -8.864 4.028 1.00 0.00 H new ATOM 0 H1' G A 1 7.586 -4.723 1.315 1.00 0.00 H new ATOM 0 H8 G A 1 4.173 -5.929 2.381 1.00 0.00 H new ATOM 0 H1 G A 1 4.391 0.317 0.874 1.00 0.00 H new ATOM 0 H21 G A 1 7.850 -0.128 0.927 1.00 0.00 H new ATOM 0 H22 G A 1 6.493 0.979 0.693 1.00 0.00 H new ATOM 33 P G A 2 7.564 -5.212 6.758 1.00 0.00 P ATOM 34 OP1 G A 2 8.467 -5.683 7.831 1.00 0.00 O ATOM 35 OP2 G A 2 6.109 -5.126 7.010 1.00 0.00 O ATOM 36 O5' G A 2 8.074 -3.758 6.275 1.00 0.00 O ATOM 37 C5' G A 2 9.453 -3.481 6.139 1.00 0.00 C ATOM 38 C4' G A 2 9.659 -2.019 5.727 1.00 0.00 C ATOM 39 O4' G A 2 9.057 -1.709 4.467 1.00 0.00 O ATOM 40 C3' G A 2 9.051 -1.044 6.711 1.00 0.00 C ATOM 41 O3' G A 2 9.825 -0.888 7.885 1.00 0.00 O ATOM 42 C2' G A 2 9.058 0.198 5.866 1.00 0.00 C ATOM 43 O2' G A 2 10.378 0.678 5.719 1.00 0.00 O ATOM 44 C1' G A 2 8.589 -0.347 4.534 1.00 0.00 C ATOM 45 N9 G A 2 7.119 -0.342 4.450 1.00 0.00 N ATOM 46 C8 G A 2 6.260 -1.389 4.614 1.00 0.00 C ATOM 47 N7 G A 2 5.006 -1.085 4.420 1.00 0.00 N ATOM 48 C5 G A 2 5.038 0.270 4.097 1.00 0.00 C ATOM 49 C6 G A 2 3.973 1.159 3.762 1.00 0.00 C ATOM 50 O6 G A 2 2.770 0.918 3.693 1.00 0.00 O ATOM 51 N1 G A 2 4.441 2.439 3.488 1.00 0.00 N ATOM 52 C2 G A 2 5.766 2.821 3.522 1.00 0.00 C ATOM 53 N2 G A 2 6.031 4.099 3.229 1.00 0.00 N ATOM 54 N3 G A 2 6.768 1.989 3.831 1.00 0.00 N ATOM 55 C4 G A 2 6.332 0.733 4.108 1.00 0.00 C ATOM 0 H5' G A 2 9.893 -4.143 5.393 1.00 0.00 H new ATOM 0 H5'' G A 2 9.966 -3.677 7.081 1.00 0.00 H new ATOM 0 H4' G A 2 10.743 -1.914 5.684 1.00 0.00 H new ATOM 0 H3' G A 2 8.078 -1.342 7.102 1.00 0.00 H new ATOM 0 H2' G A 2 8.460 1.014 6.272 1.00 0.00 H new ATOM 0 HO2' G A 2 10.372 1.487 5.166 1.00 0.00 H new ATOM 0 H1' G A 2 8.972 0.265 3.717 1.00 0.00 H new ATOM 0 H8 G A 2 6.589 -2.382 4.881 1.00 0.00 H new ATOM 0 H1 G A 2 3.752 3.150 3.243 1.00 0.00 H new ATOM 0 H21 G A 2 6.994 4.435 3.239 1.00 0.00 H new ATOM 0 H22 G A 2 5.270 4.737 2.996 1.00 0.00 H new ATOM 67 P A A 3 9.214 -0.139 9.180 1.00 0.00 P ATOM 68 OP1 A A 3 10.281 -0.041 10.200 1.00 0.00 O ATOM 69 OP2 A A 3 7.933 -0.795 9.521 1.00 0.00 O ATOM 70 O5' A A 3 8.884 1.350 8.653 1.00 0.00 O ATOM 71 C5' A A 3 9.914 2.289 8.429 1.00 0.00 C ATOM 72 C4' A A 3 9.309 3.616 7.958 1.00 0.00 C ATOM 73 O4' A A 3 8.591 3.483 6.737 1.00 0.00 O ATOM 74 C3' A A 3 8.332 4.190 8.960 1.00 0.00 C ATOM 75 O3' A A 3 8.993 4.825 10.038 1.00 0.00 O ATOM 76 C2' A A 3 7.602 5.181 8.085 1.00 0.00 C ATOM 77 O2' A A 3 8.425 6.304 7.854 1.00 0.00 O ATOM 78 C1' A A 3 7.493 4.410 6.766 1.00 0.00 C ATOM 79 N9 A A 3 6.247 3.642 6.726 1.00 0.00 N ATOM 80 C8 A A 3 6.077 2.305 6.931 1.00 0.00 C ATOM 81 N7 A A 3 4.844 1.900 6.806 1.00 0.00 N ATOM 82 C5 A A 3 4.150 3.061 6.478 1.00 0.00 C ATOM 83 C6 A A 3 2.798 3.315 6.191 1.00 0.00 C ATOM 84 N6 A A 3 1.854 2.368 6.211 1.00 0.00 N ATOM 85 N1 A A 3 2.454 4.577 5.871 1.00 0.00 N ATOM 86 C2 A A 3 3.394 5.518 5.846 1.00 0.00 C ATOM 87 N3 A A 3 4.691 5.407 6.101 1.00 0.00 N ATOM 88 C4 A A 3 5.003 4.128 6.416 1.00 0.00 C ATOM 0 H5' A A 3 10.609 1.909 7.680 1.00 0.00 H new ATOM 0 H5'' A A 3 10.485 2.443 9.345 1.00 0.00 H new ATOM 0 H4' A A 3 10.168 4.275 7.831 1.00 0.00 H new ATOM 0 H3' A A 3 7.693 3.454 9.447 1.00 0.00 H new ATOM 0 H2' A A 3 6.658 5.526 8.507 1.00 0.00 H new ATOM 0 HO2' A A 3 9.201 6.269 8.451 1.00 0.00 H new ATOM 0 H1' A A 3 7.509 5.100 5.923 1.00 0.00 H new ATOM 0 H8 A A 3 6.892 1.640 7.175 1.00 0.00 H new ATOM 0 H61 A A 3 0.887 2.608 5.994 1.00 0.00 H new ATOM 0 H62 A A 3 2.102 1.406 6.443 1.00 0.00 H new ATOM 0 H2 A A 3 3.054 6.509 5.582 1.00 0.00 H new ATOM 100 P G A 4 8.201 5.191 11.392 1.00 0.00 P ATOM 101 OP1 G A 4 9.110 5.973 12.259 1.00 0.00 O ATOM 102 OP2 G A 4 7.583 3.950 11.906 1.00 0.00 O ATOM 103 O5' G A 4 7.021 6.164 10.895 1.00 0.00 O ATOM 104 C5' G A 4 7.281 7.497 10.507 1.00 0.00 C ATOM 105 C4' G A 4 5.978 8.165 10.135 1.00 0.00 C ATOM 106 O4' G A 4 5.386 7.532 9.014 1.00 0.00 O ATOM 107 C3' G A 4 4.963 8.052 11.223 1.00 0.00 C ATOM 108 O3' G A 4 5.225 8.943 12.293 1.00 0.00 O ATOM 109 C2' G A 4 3.744 8.450 10.438 1.00 0.00 C ATOM 110 O2' G A 4 3.753 9.844 10.191 1.00 0.00 O ATOM 111 C1' G A 4 3.980 7.726 9.124 1.00 0.00 C ATOM 112 N9 G A 4 3.275 6.429 9.101 1.00 0.00 N ATOM 113 C8 G A 4 3.781 5.165 9.259 1.00 0.00 C ATOM 114 N7 G A 4 2.888 4.219 9.142 1.00 0.00 N ATOM 115 C5 G A 4 1.702 4.906 8.892 1.00 0.00 C ATOM 116 C6 G A 4 0.376 4.415 8.677 1.00 0.00 C ATOM 117 O6 G A 4 -0.022 3.250 8.652 1.00 0.00 O ATOM 118 N1 G A 4 -0.523 5.452 8.485 1.00 0.00 N ATOM 119 C2 G A 4 -0.205 6.790 8.478 1.00 0.00 C ATOM 120 N2 G A 4 -1.213 7.644 8.269 1.00 0.00 N ATOM 121 N3 G A 4 1.032 7.256 8.667 1.00 0.00 N ATOM 122 C4 G A 4 1.932 6.261 8.871 1.00 0.00 C ATOM 0 H5' G A 4 7.968 7.515 9.661 1.00 0.00 H new ATOM 0 H5'' G A 4 7.763 8.039 11.321 1.00 0.00 H new ATOM 0 H4' G A 4 6.232 9.206 9.936 1.00 0.00 H new ATOM 0 H3' G A 4 4.909 7.083 11.719 1.00 0.00 H new ATOM 0 H2' G A 4 2.804 8.215 10.938 1.00 0.00 H new ATOM 0 HO2' G A 4 4.404 10.277 10.782 1.00 0.00 H new ATOM 0 H1' G A 4 3.596 8.309 8.287 1.00 0.00 H new ATOM 0 H8 G A 4 4.824 4.969 9.462 1.00 0.00 H new ATOM 0 H1 G A 4 -1.501 5.202 8.337 1.00 0.00 H new ATOM 0 H21 G A 4 -1.036 8.648 8.253 1.00 0.00 H new ATOM 0 H22 G A 4 -2.159 7.291 8.125 1.00 0.00 H new ATOM 134 P U A 5 4.511 8.755 13.725 1.00 0.00 P ATOM 135 OP1 U A 5 4.807 9.948 14.549 1.00 0.00 O ATOM 136 OP2 U A 5 4.856 7.409 14.232 1.00 0.00 O ATOM 137 O5' U A 5 2.942 8.763 13.373 1.00 0.00 O ATOM 138 C5' U A 5 2.269 9.954 13.022 1.00 0.00 C ATOM 139 C4' U A 5 0.808 9.616 12.715 1.00 0.00 C ATOM 140 O4' U A 5 0.696 8.690 11.638 1.00 0.00 O ATOM 141 C3' U A 5 0.145 8.955 13.909 1.00 0.00 C ATOM 142 O3' U A 5 -0.337 9.902 14.853 1.00 0.00 O ATOM 143 C2' U A 5 -0.965 8.192 13.264 1.00 0.00 C ATOM 144 O2' U A 5 -2.072 9.043 13.049 1.00 0.00 O ATOM 145 C1' U A 5 -0.382 7.790 11.925 1.00 0.00 C ATOM 146 N1 U A 5 0.109 6.393 11.936 1.00 0.00 N ATOM 147 C2 U A 5 -0.814 5.390 11.682 1.00 0.00 C ATOM 148 O2 U A 5 -2.003 5.633 11.491 1.00 0.00 O ATOM 149 N3 U A 5 -0.321 4.092 11.650 1.00 0.00 N ATOM 150 C4 U A 5 1.010 3.730 11.810 1.00 0.00 C ATOM 151 O4 U A 5 1.347 2.549 11.770 1.00 0.00 O ATOM 152 C5 U A 5 1.906 4.853 12.008 1.00 0.00 C ATOM 153 C6 U A 5 1.438 6.112 12.067 1.00 0.00 C ATOM 0 H5' U A 5 2.741 10.414 12.154 1.00 0.00 H new ATOM 0 H5'' U A 5 2.327 10.676 13.837 1.00 0.00 H new ATOM 0 H4' U A 5 0.328 10.561 12.462 1.00 0.00 H new ATOM 0 H3' U A 5 0.824 8.333 14.493 1.00 0.00 H new ATOM 0 H2' U A 5 -1.307 7.349 13.865 1.00 0.00 H new ATOM 0 HO2' U A 5 -1.894 9.919 13.450 1.00 0.00 H new ATOM 0 H1' U A 5 -1.156 7.845 11.159 1.00 0.00 H new ATOM 0 H3 U A 5 -0.994 3.341 11.496 1.00 0.00 H new ATOM 0 H5 U A 5 2.966 4.675 12.110 1.00 0.00 H new ATOM 0 H6 U A 5 2.133 6.924 12.222 1.00 0.00 H new ATOM 164 P U A 6 -0.908 9.431 16.295 1.00 0.00 P ATOM 165 OP1 U A 6 -1.071 10.638 17.136 1.00 0.00 O ATOM 166 OP2 U A 6 -0.059 8.318 16.773 1.00 0.00 O ATOM 167 O5' U A 6 -2.385 8.835 15.989 1.00 0.00 O ATOM 168 C5' U A 6 -3.512 9.688 15.839 1.00 0.00 C ATOM 169 C4' U A 6 -4.796 8.842 15.730 1.00 0.00 C ATOM 170 O4' U A 6 -4.808 8.053 14.546 1.00 0.00 O ATOM 171 C3' U A 6 -4.934 7.858 16.880 1.00 0.00 C ATOM 172 O3' U A 6 -5.439 8.451 18.060 1.00 0.00 O ATOM 173 C2' U A 6 -5.927 6.902 16.285 1.00 0.00 C ATOM 174 O2' U A 6 -7.216 7.478 16.303 1.00 0.00 O ATOM 175 C1' U A 6 -5.464 6.813 14.849 1.00 0.00 C ATOM 176 N1 U A 6 -4.515 5.696 14.671 1.00 0.00 N ATOM 177 C2 U A 6 -5.025 4.421 14.485 1.00 0.00 C ATOM 178 O2 U A 6 -6.228 4.178 14.547 1.00 0.00 O ATOM 179 N3 U A 6 -4.095 3.429 14.219 1.00 0.00 N ATOM 180 C4 U A 6 -2.724 3.605 14.110 1.00 0.00 C ATOM 181 O4 U A 6 -1.987 2.654 13.867 1.00 0.00 O ATOM 182 C5 U A 6 -2.292 4.969 14.305 1.00 0.00 C ATOM 183 C6 U A 6 -3.184 5.942 14.579 1.00 0.00 C ATOM 0 H5' U A 6 -3.396 10.306 14.949 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.583 10.365 16.690 1.00 0.00 H new ATOM 0 H4' U A 6 -5.610 9.567 15.735 1.00 0.00 H new ATOM 0 H3' U A 6 -3.990 7.420 17.204 1.00 0.00 H new ATOM 0 H2' U A 6 -5.980 5.948 16.809 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.226 8.237 16.922 1.00 0.00 H new ATOM 0 H1' U A 6 -6.312 6.635 14.188 1.00 0.00 H new ATOM 0 H3 U A 6 -4.452 2.482 14.092 1.00 0.00 H new ATOM 0 H5 U A 6 -1.242 5.212 14.230 1.00 0.00 H new ATOM 0 H6 U A 6 -2.827 6.950 14.730 1.00 0.00 H new ATOM 194 P C A 7 -5.398 7.653 19.466 1.00 0.00 P ATOM 195 OP1 C A 7 -6.093 8.475 20.481 1.00 0.00 O ATOM 196 OP2 C A 7 -4.000 7.228 19.701 1.00 0.00 O ATOM 197 O5' C A 7 -6.282 6.323 19.203 1.00 0.00 O ATOM 198 C5' C A 7 -7.697 6.364 19.217 1.00 0.00 C ATOM 199 C4' C A 7 -8.254 4.942 19.042 1.00 0.00 C ATOM 200 O4' C A 7 -7.876 4.361 17.788 1.00 0.00 O ATOM 201 C3' C A 7 -7.716 3.997 20.095 1.00 0.00 C ATOM 202 O3' C A 7 -8.368 4.149 21.344 1.00 0.00 O ATOM 203 C2' C A 7 -8.042 2.676 19.447 1.00 0.00 C ATOM 204 O2' C A 7 -9.423 2.415 19.568 1.00 0.00 O ATOM 205 C1' C A 7 -7.734 2.938 17.984 1.00 0.00 C ATOM 206 N1 C A 7 -6.357 2.497 17.640 1.00 0.00 N ATOM 207 C2 C A 7 -6.168 1.153 17.328 1.00 0.00 C ATOM 208 O2 C A 7 -7.107 0.362 17.392 1.00 0.00 O ATOM 209 N3 C A 7 -4.922 0.747 16.952 1.00 0.00 N ATOM 210 C4 C A 7 -3.906 1.619 16.883 1.00 0.00 C ATOM 211 N4 C A 7 -2.702 1.178 16.501 1.00 0.00 N ATOM 212 C5 C A 7 -4.090 3.005 17.199 1.00 0.00 C ATOM 213 C6 C A 7 -5.328 3.390 17.567 1.00 0.00 C ATOM 0 H5' C A 7 -8.060 7.009 18.417 1.00 0.00 H new ATOM 0 H5'' C A 7 -8.050 6.791 20.156 1.00 0.00 H new ATOM 0 H4' C A 7 -9.335 5.057 19.114 1.00 0.00 H new ATOM 0 H3' C A 7 -6.665 4.145 20.344 1.00 0.00 H new ATOM 0 H2' C A 7 -7.499 1.837 19.882 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.835 3.094 20.142 1.00 0.00 H new ATOM 0 H1' C A 7 -8.411 2.379 17.338 1.00 0.00 H new ATOM 0 H41 C A 7 -1.917 1.826 16.442 1.00 0.00 H new ATOM 0 H42 C A 7 -2.570 0.194 16.268 1.00 0.00 H new ATOM 0 H5 C A 7 -3.273 3.709 17.145 1.00 0.00 H new ATOM 0 H6 C A 7 -5.509 4.427 17.809 1.00 0.00 H new ATOM 225 P C A 8 -7.791 3.429 22.669 1.00 0.00 P ATOM 226 OP1 C A 8 -8.716 3.711 23.789 1.00 0.00 O ATOM 227 OP2 C A 8 -6.360 3.784 22.793 1.00 0.00 O ATOM 228 O5' C A 8 -7.885 1.860 22.325 1.00 0.00 O ATOM 229 C5' C A 8 -9.117 1.170 22.379 1.00 0.00 C ATOM 230 C4' C A 8 -8.890 -0.284 21.961 1.00 0.00 C ATOM 231 O4' C A 8 -8.374 -0.374 20.635 1.00 0.00 O ATOM 232 C3' C A 8 -7.851 -0.961 22.826 1.00 0.00 C ATOM 233 O3' C A 8 -8.369 -1.367 24.075 1.00 0.00 O ATOM 234 C2' C A 8 -7.495 -2.144 21.964 1.00 0.00 C ATOM 235 O2' C A 8 -8.461 -3.159 22.133 1.00 0.00 O ATOM 236 C1' C A 8 -7.592 -1.578 20.548 1.00 0.00 C ATOM 237 N1 C A 8 -6.220 -1.280 20.067 1.00 0.00 N ATOM 238 C2 C A 8 -5.494 -2.316 19.490 1.00 0.00 C ATOM 239 O2 C A 8 -6.009 -3.420 19.327 1.00 0.00 O ATOM 240 N3 C A 8 -4.204 -2.073 19.121 1.00 0.00 N ATOM 241 C4 C A 8 -3.648 -0.868 19.315 1.00 0.00 C ATOM 242 N4 C A 8 -2.383 -0.669 18.934 1.00 0.00 N ATOM 243 C5 C A 8 -4.381 0.200 19.926 1.00 0.00 C ATOM 244 C6 C A 8 -5.656 -0.059 20.281 1.00 0.00 C ATOM 0 H5' C A 8 -9.843 1.643 21.718 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.529 1.212 23.387 1.00 0.00 H new ATOM 0 H4' C A 8 -9.866 -0.760 22.053 1.00 0.00 H new ATOM 0 H3' C A 8 -7.011 -0.319 23.093 1.00 0.00 H new ATOM 0 H2' C A 8 -6.521 -2.576 22.196 1.00 0.00 H new ATOM 0 HO2' C A 8 -8.809 -3.130 23.049 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.662 -1.800 24.597 1.00 0.00 H new ATOM 0 H1' C A 8 -8.057 -2.277 19.853 1.00 0.00 H new ATOM 0 H41 C A 8 -1.945 0.242 19.074 1.00 0.00 H new ATOM 0 H42 C A 8 -1.855 -1.428 18.503 1.00 0.00 H new ATOM 0 H5 C A 8 -3.933 1.168 20.095 1.00 0.00 H new ATOM 0 H6 C A 8 -6.243 0.719 20.745 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.459 -8.957 15.823 1.00 0.00 O ATOM 259 C5' G B 9 2.840 -10.217 15.960 1.00 0.00 C ATOM 260 C4' G B 9 1.364 -10.038 16.322 1.00 0.00 C ATOM 261 O4' G B 9 1.208 -9.342 17.558 1.00 0.00 O ATOM 262 C3' G B 9 0.605 -9.204 15.310 1.00 0.00 C ATOM 263 O3' G B 9 0.295 -9.912 14.127 1.00 0.00 O ATOM 264 C2' G B 9 -0.625 -8.889 16.119 1.00 0.00 C ATOM 265 O2' G B 9 -1.449 -10.032 16.202 1.00 0.00 O ATOM 266 C1' G B 9 -0.035 -8.619 17.495 1.00 0.00 C ATOM 267 N9 G B 9 0.202 -7.170 17.658 1.00 0.00 N ATOM 268 C8 G B 9 1.370 -6.462 17.533 1.00 0.00 C ATOM 269 N7 G B 9 1.238 -5.182 17.741 1.00 0.00 N ATOM 270 C5 G B 9 -0.116 -5.027 18.023 1.00 0.00 C ATOM 271 C6 G B 9 -0.860 -3.850 18.332 1.00 0.00 C ATOM 272 O6 G B 9 -0.455 -2.693 18.416 1.00 0.00 O ATOM 273 N1 G B 9 -2.203 -4.136 18.552 1.00 0.00 N ATOM 274 C2 G B 9 -2.766 -5.392 18.480 1.00 0.00 C ATOM 275 N2 G B 9 -4.080 -5.477 18.712 1.00 0.00 N ATOM 276 N3 G B 9 -2.073 -6.497 18.191 1.00 0.00 N ATOM 277 C4 G B 9 -0.757 -6.241 17.974 1.00 0.00 C ATOM 0 H5' G B 9 3.345 -10.797 16.732 1.00 0.00 H new ATOM 0 H5'' G B 9 2.929 -10.778 15.030 1.00 0.00 H new ATOM 0 H4' G B 9 0.973 -11.055 16.364 1.00 0.00 H new ATOM 0 H3' G B 9 1.154 -8.341 14.933 1.00 0.00 H new ATOM 0 H2' G B 9 -1.224 -8.077 15.708 1.00 0.00 H new ATOM 0 HO2' G B 9 -2.247 -9.822 16.730 1.00 0.00 H new ATOM 0 HO5' G B 9 4.404 -9.080 15.593 1.00 0.00 H new ATOM 0 H1' G B 9 -0.709 -8.938 18.290 1.00 0.00 H new ATOM 0 H8 G B 9 2.314 -6.924 17.285 1.00 0.00 H new ATOM 0 H1 G B 9 -2.819 -3.357 18.784 1.00 0.00 H new ATOM 0 H21 G B 9 -4.547 -6.383 18.671 1.00 0.00 H new ATOM 0 H22 G B 9 -4.615 -4.636 18.929 1.00 0.00 H new ATOM 290 P G B 10 -0.323 -9.142 12.846 1.00 0.00 P ATOM 291 OP1 G B 10 -0.484 -10.126 11.753 1.00 0.00 O ATOM 292 OP2 G B 10 0.480 -7.920 12.620 1.00 0.00 O ATOM 293 O5' G B 10 -1.796 -8.690 13.334 1.00 0.00 O ATOM 294 C5' G B 10 -2.840 -9.633 13.454 1.00 0.00 C ATOM 295 C4' G B 10 -4.139 -8.937 13.877 1.00 0.00 C ATOM 296 O4' G B 10 -4.033 -8.286 15.147 1.00 0.00 O ATOM 297 C3' G B 10 -4.568 -7.855 12.908 1.00 0.00 C ATOM 298 O3' G B 10 -5.166 -8.369 11.735 1.00 0.00 O ATOM 299 C2' G B 10 -5.559 -7.120 13.766 1.00 0.00 C ATOM 300 O2' G B 10 -6.744 -7.877 13.911 1.00 0.00 O ATOM 301 C1' G B 10 -4.835 -7.089 15.094 1.00 0.00 C ATOM 302 N9 G B 10 -3.952 -5.913 15.184 1.00 0.00 N ATOM 303 C8 G B 10 -2.599 -5.857 15.013 1.00 0.00 C ATOM 304 N7 G B 10 -2.085 -4.675 15.214 1.00 0.00 N ATOM 305 C5 G B 10 -3.184 -3.886 15.547 1.00 0.00 C ATOM 306 C6 G B 10 -3.249 -2.503 15.892 1.00 0.00 C ATOM 307 O6 G B 10 -2.331 -1.689 15.964 1.00 0.00 O ATOM 308 N1 G B 10 -4.552 -2.106 16.172 1.00 0.00 N ATOM 309 C2 G B 10 -5.656 -2.932 16.136 1.00 0.00 C ATOM 310 N2 G B 10 -6.834 -2.374 16.436 1.00 0.00 N ATOM 311 N3 G B 10 -5.598 -4.231 15.820 1.00 0.00 N ATOM 312 C4 G B 10 -4.334 -4.639 15.536 1.00 0.00 C ATOM 0 H5' G B 10 -2.571 -10.393 14.188 1.00 0.00 H new ATOM 0 H5'' G B 10 -2.987 -10.146 12.504 1.00 0.00 H new ATOM 0 H4' G B 10 -4.864 -9.750 13.909 1.00 0.00 H new ATOM 0 H3' G B 10 -3.749 -7.251 12.518 1.00 0.00 H new ATOM 0 H2' G B 10 -5.849 -6.147 13.369 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.379 -7.386 14.473 1.00 0.00 H new ATOM 0 H1' G B 10 -5.549 -7.034 15.916 1.00 0.00 H new ATOM 0 H8 G B 10 -2.006 -6.716 14.736 1.00 0.00 H new ATOM 0 H1 G B 10 -4.703 -1.129 16.423 1.00 0.00 H new ATOM 0 H21 G B 10 -7.683 -2.939 16.425 1.00 0.00 H new ATOM 0 H22 G B 10 -6.883 -1.384 16.676 1.00 0.00 H new ATOM 324 P A B 11 -5.402 -7.421 10.447 1.00 0.00 P ATOM 325 OP1 A B 11 -6.129 -8.205 9.425 1.00 0.00 O ATOM 326 OP2 A B 11 -4.107 -6.792 10.104 1.00 0.00 O ATOM 327 O5' A B 11 -6.388 -6.263 10.988 1.00 0.00 O ATOM 328 C5' A B 11 -7.757 -6.522 11.218 1.00 0.00 C ATOM 329 C4' A B 11 -8.451 -5.245 11.705 1.00 0.00 C ATOM 330 O4' A B 11 -7.904 -4.758 12.925 1.00 0.00 O ATOM 331 C3' A B 11 -8.338 -4.111 10.710 1.00 0.00 C ATOM 332 O3' A B 11 -9.265 -4.247 9.650 1.00 0.00 O ATOM 333 C2' A B 11 -8.671 -2.933 11.596 1.00 0.00 C ATOM 334 O2' A B 11 -10.062 -2.898 11.841 1.00 0.00 O ATOM 335 C1' A B 11 -7.981 -3.323 12.907 1.00 0.00 C ATOM 336 N9 A B 11 -6.615 -2.793 12.941 1.00 0.00 N ATOM 337 C8 A B 11 -5.447 -3.464 12.726 1.00 0.00 C ATOM 338 N7 A B 11 -4.379 -2.725 12.849 1.00 0.00 N ATOM 339 C5 A B 11 -4.885 -1.473 13.186 1.00 0.00 C ATOM 340 C6 A B 11 -4.269 -0.243 13.476 1.00 0.00 C ATOM 341 N6 A B 11 -2.945 -0.061 13.450 1.00 0.00 N ATOM 342 N1 A B 11 -5.067 0.791 13.805 1.00 0.00 N ATOM 343 C2 A B 11 -6.384 0.609 13.836 1.00 0.00 C ATOM 344 N3 A B 11 -7.079 -0.490 13.579 1.00 0.00 N ATOM 345 C4 A B 11 -6.250 -1.510 13.255 1.00 0.00 C ATOM 0 H5' A B 11 -7.868 -7.313 11.960 1.00 0.00 H new ATOM 0 H5'' A B 11 -8.229 -6.877 10.302 1.00 0.00 H new ATOM 0 H4' A B 11 -9.492 -5.540 11.840 1.00 0.00 H new ATOM 0 H3' A B 11 -7.373 -4.044 10.208 1.00 0.00 H new ATOM 0 H2' A B 11 -8.373 -1.973 11.175 1.00 0.00 H new ATOM 0 HO2' A B 11 -10.513 -3.544 11.258 1.00 0.00 H new ATOM 0 H1' A B 11 -8.536 -2.927 13.757 1.00 0.00 H new ATOM 0 H8 A B 11 -5.410 -4.514 12.476 1.00 0.00 H new ATOM 0 H61 A B 11 -2.552 0.854 13.669 1.00 0.00 H new ATOM 0 H62 A B 11 -2.328 -0.837 13.211 1.00 0.00 H new ATOM 0 H2 A B 11 -6.968 1.476 14.108 1.00 0.00 H new ATOM 357 P G B 12 -9.098 -3.397 8.292 1.00 0.00 P ATOM 358 OP1 G B 12 -10.290 -3.638 7.449 1.00 0.00 O ATOM 359 OP2 G B 12 -7.749 -3.669 7.750 1.00 0.00 O ATOM 360 O5' G B 12 -9.135 -1.868 8.788 1.00 0.00 O ATOM 361 C5' G B 12 -10.341 -1.255 9.194 1.00 0.00 C ATOM 362 C4' G B 12 -10.064 0.185 9.557 1.00 0.00 C ATOM 363 O4' G B 12 -9.195 0.269 10.673 1.00 0.00 O ATOM 364 C3' G B 12 -9.353 0.910 8.463 1.00 0.00 C ATOM 365 O3' G B 12 -10.215 1.232 7.385 1.00 0.00 O ATOM 366 C2' G B 12 -8.941 2.126 9.244 1.00 0.00 C ATOM 367 O2' G B 12 -10.070 2.939 9.492 1.00 0.00 O ATOM 368 C1' G B 12 -8.502 1.506 10.560 1.00 0.00 C ATOM 369 N9 G B 12 -7.043 1.284 10.580 1.00 0.00 N ATOM 370 C8 G B 12 -6.343 0.117 10.419 1.00 0.00 C ATOM 371 N7 G B 12 -5.049 0.255 10.536 1.00 0.00 N ATOM 372 C5 G B 12 -4.879 1.615 10.790 1.00 0.00 C ATOM 373 C6 G B 12 -3.686 2.373 11.008 1.00 0.00 C ATOM 374 O6 G B 12 -2.517 1.986 11.033 1.00 0.00 O ATOM 375 N1 G B 12 -3.970 3.715 11.207 1.00 0.00 N ATOM 376 C2 G B 12 -5.228 4.271 11.215 1.00 0.00 C ATOM 377 N2 G B 12 -5.298 5.589 11.431 1.00 0.00 N ATOM 378 N3 G B 12 -6.346 3.568 11.023 1.00 0.00 N ATOM 379 C4 G B 12 -6.098 2.251 10.813 1.00 0.00 C ATOM 0 H5' G B 12 -10.763 -1.784 10.049 1.00 0.00 H new ATOM 0 H5'' G B 12 -11.078 -1.306 8.392 1.00 0.00 H new ATOM 0 H4' G B 12 -11.041 0.625 9.757 1.00 0.00 H new ATOM 0 H3' G B 12 -8.547 0.363 7.974 1.00 0.00 H new ATOM 0 H2' G B 12 -8.191 2.740 8.745 1.00 0.00 H new ATOM 0 HO2' G B 12 -10.751 2.771 8.808 1.00 0.00 H new ATOM 0 H1' G B 12 -8.732 2.167 11.395 1.00 0.00 H new ATOM 0 H8 G B 12 -6.818 -0.831 10.214 1.00 0.00 H new ATOM 0 H1 G B 12 -3.180 4.342 11.360 1.00 0.00 H new ATOM 0 H21 G B 12 -6.205 6.056 11.448 1.00 0.00 H new ATOM 0 H22 G B 12 -4.444 6.128 11.579 1.00 0.00 H new ATOM 391 P U B 13 -9.626 1.689 5.957 1.00 0.00 P ATOM 392 OP1 U B 13 -10.752 2.160 5.121 1.00 0.00 O ATOM 393 OP2 U B 13 -8.747 0.607 5.461 1.00 0.00 O ATOM 394 O5' U B 13 -8.700 2.954 6.312 1.00 0.00 O ATOM 395 C5' U B 13 -9.257 4.204 6.660 1.00 0.00 C ATOM 396 C4' U B 13 -8.117 5.177 6.970 1.00 0.00 C ATOM 397 O4' U B 13 -7.312 4.719 8.054 1.00 0.00 O ATOM 398 C3' U B 13 -7.183 5.312 5.782 1.00 0.00 C ATOM 399 O3' U B 13 -7.652 6.259 4.831 1.00 0.00 O ATOM 400 C2' U B 13 -5.914 5.754 6.434 1.00 0.00 C ATOM 401 O2' U B 13 -5.946 7.149 6.652 1.00 0.00 O ATOM 402 C1' U B 13 -5.944 5.043 7.772 1.00 0.00 C ATOM 403 N1 U B 13 -5.120 3.812 7.756 1.00 0.00 N ATOM 404 C2 U B 13 -3.763 3.948 8.011 1.00 0.00 C ATOM 405 O2 U B 13 -3.245 5.045 8.206 1.00 0.00 O ATOM 406 N3 U B 13 -3.021 2.776 8.037 1.00 0.00 N ATOM 407 C4 U B 13 -3.528 1.493 7.871 1.00 0.00 C ATOM 408 O4 U B 13 -2.785 0.516 7.906 1.00 0.00 O ATOM 409 C5 U B 13 -4.965 1.451 7.672 1.00 0.00 C ATOM 410 C6 U B 13 -5.691 2.580 7.618 1.00 0.00 C ATOM 0 H5' U B 13 -9.911 4.099 7.526 1.00 0.00 H new ATOM 0 H5'' U B 13 -9.869 4.586 5.843 1.00 0.00 H new ATOM 0 H4' U B 13 -8.593 6.126 7.216 1.00 0.00 H new ATOM 0 H3' U B 13 -7.082 4.394 5.203 1.00 0.00 H new ATOM 0 H2' U B 13 -5.029 5.533 5.838 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.754 7.525 6.245 1.00 0.00 H new ATOM 0 H1' U B 13 -5.527 5.692 8.542 1.00 0.00 H new ATOM 0 H3 U B 13 -2.017 2.864 8.191 1.00 0.00 H new ATOM 0 H5 U B 13 -5.459 0.496 7.566 1.00 0.00 H new ATOM 0 H6 U B 13 -6.757 2.511 7.461 1.00 0.00 H new ATOM 421 P U B 14 -6.923 6.433 3.393 1.00 0.00 P ATOM 422 OP1 U B 14 -7.793 7.275 2.541 1.00 0.00 O ATOM 423 OP2 U B 14 -6.525 5.087 2.925 1.00 0.00 O ATOM 424 O5' U B 14 -5.570 7.272 3.704 1.00 0.00 O ATOM 425 C5' U B 14 -5.593 8.684 3.854 1.00 0.00 C ATOM 426 C4' U B 14 -4.153 9.223 3.969 1.00 0.00 C ATOM 427 O4' U B 14 -3.513 8.770 5.156 1.00 0.00 O ATOM 428 C3' U B 14 -3.270 8.758 2.822 1.00 0.00 C ATOM 429 O3' U B 14 -3.440 9.524 1.645 1.00 0.00 O ATOM 430 C2' U B 14 -1.913 8.985 3.424 1.00 0.00 C ATOM 431 O2' U B 14 -1.602 10.363 3.409 1.00 0.00 O ATOM 432 C1' U B 14 -2.125 8.557 4.857 1.00 0.00 C ATOM 433 N1 U B 14 -1.796 7.128 5.033 1.00 0.00 N ATOM 434 C2 U B 14 -0.468 6.773 5.212 1.00 0.00 C ATOM 435 O2 U B 14 0.446 7.593 5.152 1.00 0.00 O ATOM 436 N3 U B 14 -0.228 5.433 5.471 1.00 0.00 N ATOM 437 C4 U B 14 -1.188 4.439 5.578 1.00 0.00 C ATOM 438 O4 U B 14 -0.866 3.278 5.814 1.00 0.00 O ATOM 439 C5 U B 14 -2.540 4.908 5.389 1.00 0.00 C ATOM 440 C6 U B 14 -2.788 6.207 5.123 1.00 0.00 C ATOM 0 H5' U B 14 -6.164 8.955 4.742 1.00 0.00 H new ATOM 0 H5'' U B 14 -6.095 9.141 3.001 1.00 0.00 H new ATOM 0 H4' U B 14 -4.261 10.308 3.963 1.00 0.00 H new ATOM 0 H3' U B 14 -3.477 7.740 2.492 1.00 0.00 H new ATOM 0 H2' U B 14 -1.113 8.460 2.902 1.00 0.00 H new ATOM 0 HO2' U B 14 -2.223 10.832 2.813 1.00 0.00 H new ATOM 0 H1' U B 14 -1.479 9.130 5.522 1.00 0.00 H new ATOM 0 H3 U B 14 0.745 5.152 5.594 1.00 0.00 H new ATOM 0 H5 U B 14 -3.362 4.211 5.461 1.00 0.00 H new ATOM 0 H6 U B 14 -3.810 6.524 4.977 1.00 0.00 H new ATOM 451 P C B 15 -2.822 9.019 0.238 1.00 0.00 P ATOM 452 OP1 C B 15 -3.060 10.074 -0.772 1.00 0.00 O ATOM 453 OP2 C B 15 -3.320 7.647 -0.006 1.00 0.00 O ATOM 454 O5' C B 15 -1.228 8.928 0.504 1.00 0.00 O ATOM 455 C5' C B 15 -0.413 10.085 0.501 1.00 0.00 C ATOM 456 C4' C B 15 1.059 9.682 0.676 1.00 0.00 C ATOM 457 O4' C B 15 1.300 9.023 1.925 1.00 0.00 O ATOM 458 C3' C B 15 1.502 8.696 -0.386 1.00 0.00 C ATOM 459 O3' C B 15 1.782 9.324 -1.623 1.00 0.00 O ATOM 460 C2' C B 15 2.749 8.151 0.263 1.00 0.00 C ATOM 461 O2' C B 15 3.797 9.091 0.150 1.00 0.00 O ATOM 462 C1' C B 15 2.351 8.053 1.724 1.00 0.00 C ATOM 463 N1 C B 15 1.871 6.686 2.058 1.00 0.00 N ATOM 464 C2 C B 15 2.829 5.722 2.362 1.00 0.00 C ATOM 465 O2 C B 15 4.026 5.993 2.303 1.00 0.00 O ATOM 466 N3 C B 15 2.401 4.480 2.728 1.00 0.00 N ATOM 467 C4 C B 15 1.093 4.195 2.795 1.00 0.00 C ATOM 468 N4 C B 15 0.718 2.966 3.166 1.00 0.00 N ATOM 469 C5 C B 15 0.098 5.181 2.488 1.00 0.00 C ATOM 470 C6 C B 15 0.539 6.403 2.130 1.00 0.00 C ATOM 0 H5' C B 15 -0.714 10.756 1.305 1.00 0.00 H new ATOM 0 H5'' C B 15 -0.542 10.630 -0.434 1.00 0.00 H new ATOM 0 H4' C B 15 1.610 10.621 0.613 1.00 0.00 H new ATOM 0 H3' C B 15 0.754 7.948 -0.649 1.00 0.00 H new ATOM 0 H2' C B 15 3.087 7.213 -0.178 1.00 0.00 H new ATOM 0 HO2' C B 15 3.514 9.828 -0.431 1.00 0.00 H new ATOM 0 H1' C B 15 3.204 8.251 2.372 1.00 0.00 H new ATOM 0 H41 C B 15 -0.273 2.730 3.223 1.00 0.00 H new ATOM 0 H42 C B 15 1.423 2.264 3.392 1.00 0.00 H new ATOM 0 H5 C B 15 -0.957 4.955 2.541 1.00 0.00 H new ATOM 0 H6 C B 15 -0.178 7.175 1.895 1.00 0.00 H new ATOM 482 P C B 16 2.005 8.448 -2.962 1.00 0.00 P ATOM 483 OP1 C B 16 2.350 9.371 -4.066 1.00 0.00 O ATOM 484 OP2 C B 16 0.852 7.533 -3.104 1.00 0.00 O ATOM 485 O5' C B 16 3.306 7.559 -2.627 1.00 0.00 O ATOM 486 C5' C B 16 4.604 8.114 -2.673 1.00 0.00 C ATOM 487 C4' C B 16 5.618 7.043 -2.263 1.00 0.00 C ATOM 488 O4' C B 16 5.364 6.561 -0.947 1.00 0.00 O ATOM 489 C3' C B 16 5.529 5.819 -3.146 1.00 0.00 C ATOM 490 O3' C B 16 6.184 5.998 -4.382 1.00 0.00 O ATOM 491 C2' C B 16 6.240 4.802 -2.292 1.00 0.00 C ATOM 492 O2' C B 16 7.636 4.939 -2.456 1.00 0.00 O ATOM 493 C1' C B 16 5.852 5.212 -0.871 1.00 0.00 C ATOM 494 N1 C B 16 4.788 4.295 -0.393 1.00 0.00 N ATOM 495 C2 C B 16 5.180 3.083 0.164 1.00 0.00 C ATOM 496 O2 C B 16 6.373 2.824 0.310 1.00 0.00 O ATOM 497 N3 C B 16 4.210 2.198 0.531 1.00 0.00 N ATOM 498 C4 C B 16 2.913 2.486 0.354 1.00 0.00 C ATOM 499 N4 C B 16 1.993 1.593 0.732 1.00 0.00 N ATOM 500 C5 C B 16 2.499 3.723 -0.237 1.00 0.00 C ATOM 501 C6 C B 16 3.474 4.587 -0.590 1.00 0.00 C ATOM 0 H5' C B 16 4.671 8.972 -2.004 1.00 0.00 H new ATOM 0 H5'' C B 16 4.824 8.476 -3.678 1.00 0.00 H new ATOM 0 H4' C B 16 6.591 7.528 -2.341 1.00 0.00 H new ATOM 0 H3' C B 16 4.510 5.551 -3.427 1.00 0.00 H new ATOM 0 H2' C B 16 5.980 3.772 -2.536 1.00 0.00 H new ATOM 0 HO2' C B 16 7.825 5.334 -3.333 1.00 0.00 H new ATOM 0 HO3' C B 16 6.101 5.181 -4.917 1.00 0.00 H new ATOM 0 H1' C B 16 6.693 5.157 -0.180 1.00 0.00 H new ATOM 0 H41 C B 16 1.002 1.797 0.604 1.00 0.00 H new ATOM 0 H42 C B 16 2.282 0.708 1.148 1.00 0.00 H new ATOM 0 H5 C B 16 1.456 3.954 -0.393 1.00 0.00 H new ATOM 0 H6 C B 16 3.205 5.532 -1.039 1.00 0.00 H new TER 514 C B 16