USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 155 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= -0.173 USER MOD Single : A 1 G O5' : rot 180:sc=-0.000836 USER MOD Single : A 2 G O2' : rot 180:sc= -0.0329 USER MOD Single : A 3 C O2' : rot 180:sc= -0.0263 USER MOD Single : A 4 G O2' : rot 180:sc= -0.109 USER MOD Single : A 5 C O2' : rot 180:sc= -0.109 USER MOD Single : A 6 A O2' : rot -8:sc= -0.226 USER MOD Single : A 7 U O2' : rot 28:sc= 0.108 USER MOD Single : A 8 C O2' : rot 180:sc= -0.661 USER MOD Single : A 9 G O2' : rot 25:sc= 0.213 USER MOD Single : A 10 G O2' : rot 180:sc= -0.481 USER MOD Single : A 11 C O2' : rot 180:sc= -0.114 USER MOD Single : A 12 G O2' : rot -21:sc= 0.0589 USER MOD Single : A 13 C O2' : rot 180:sc= -0.046 USER MOD Single : A 14 C O2' : rot -17:sc= 0.104 USER MOD Single : A 14 C O3' : rot 180:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 8.704 -8.651 -9.106 1.00 0.00 O ATOM 2 C5' G A 1 9.793 -9.522 -8.878 1.00 0.00 C ATOM 3 C4' G A 1 10.645 -9.063 -7.693 1.00 0.00 C ATOM 4 O4' G A 1 11.323 -7.845 -7.959 1.00 0.00 O ATOM 5 C3' G A 1 9.828 -8.844 -6.420 1.00 0.00 C ATOM 6 O3' G A 1 9.528 -10.044 -5.733 1.00 0.00 O ATOM 7 C2' G A 1 10.805 -7.966 -5.650 1.00 0.00 C ATOM 8 O2' G A 1 11.867 -8.727 -5.101 1.00 0.00 O ATOM 9 C1' G A 1 11.373 -7.086 -6.763 1.00 0.00 C ATOM 10 N9 G A 1 10.541 -5.874 -6.897 1.00 0.00 N ATOM 11 C8 G A 1 9.447 -5.660 -7.696 1.00 0.00 C ATOM 12 N7 G A 1 8.924 -4.471 -7.575 1.00 0.00 N ATOM 13 C5 G A 1 9.733 -3.845 -6.629 1.00 0.00 C ATOM 14 C6 G A 1 9.667 -2.530 -6.081 1.00 0.00 C ATOM 15 O6 G A 1 8.872 -1.628 -6.340 1.00 0.00 O ATOM 16 N1 G A 1 10.660 -2.306 -5.140 1.00 0.00 N ATOM 17 C2 G A 1 11.613 -3.227 -4.774 1.00 0.00 C ATOM 18 N2 G A 1 12.504 -2.840 -3.864 1.00 0.00 N ATOM 19 N3 G A 1 11.688 -4.461 -5.281 1.00 0.00 N ATOM 20 C4 G A 1 10.722 -4.702 -6.206 1.00 0.00 C ATOM 0 H5' G A 1 10.412 -9.573 -9.774 1.00 0.00 H new ATOM 0 H5'' G A 1 9.421 -10.529 -8.690 1.00 0.00 H new ATOM 0 H4' G A 1 11.356 -9.876 -7.543 1.00 0.00 H new ATOM 0 H3' G A 1 8.838 -8.418 -6.583 1.00 0.00 H new ATOM 0 H2' G A 1 10.335 -7.439 -4.820 1.00 0.00 H new ATOM 0 HO2' G A 1 12.477 -8.134 -4.615 1.00 0.00 H new ATOM 0 HO5' G A 1 8.182 -8.973 -9.871 1.00 0.00 H new ATOM 0 H1' G A 1 12.396 -6.780 -6.545 1.00 0.00 H new ATOM 0 H8 G A 1 9.053 -6.410 -8.366 1.00 0.00 H new ATOM 0 H1 G A 1 10.685 -1.393 -4.687 1.00 0.00 H new ATOM 0 H21 G A 1 13.232 -3.485 -3.557 1.00 0.00 H new ATOM 0 H22 G A 1 12.458 -1.899 -3.474 1.00 0.00 H new ATOM 33 P G A 2 8.321 -10.107 -4.670 1.00 0.00 P ATOM 34 OP1 G A 2 7.125 -9.485 -5.284 1.00 0.00 O ATOM 35 OP2 G A 2 8.236 -11.498 -4.174 1.00 0.00 O ATOM 36 O5' G A 2 8.817 -9.163 -3.459 1.00 0.00 O ATOM 37 C5' G A 2 9.871 -9.556 -2.600 1.00 0.00 C ATOM 38 C4' G A 2 10.157 -8.479 -1.555 1.00 0.00 C ATOM 39 O4' G A 2 10.616 -7.266 -2.137 1.00 0.00 O ATOM 40 C3' G A 2 8.935 -8.107 -0.734 1.00 0.00 C ATOM 41 O3' G A 2 8.601 -9.048 0.264 1.00 0.00 O ATOM 42 C2' G A 2 9.395 -6.773 -0.164 1.00 0.00 C ATOM 43 O2' G A 2 10.311 -6.952 0.895 1.00 0.00 O ATOM 44 C1' G A 2 10.161 -6.179 -1.339 1.00 0.00 C ATOM 45 N9 G A 2 9.274 -5.313 -2.138 1.00 0.00 N ATOM 46 C8 G A 2 8.445 -5.647 -3.181 1.00 0.00 C ATOM 47 N7 G A 2 7.790 -4.634 -3.677 1.00 0.00 N ATOM 48 C5 G A 2 8.212 -3.547 -2.910 1.00 0.00 C ATOM 49 C6 G A 2 7.842 -2.168 -2.960 1.00 0.00 C ATOM 50 O6 G A 2 7.065 -1.609 -3.733 1.00 0.00 O ATOM 51 N1 G A 2 8.477 -1.422 -1.982 1.00 0.00 N ATOM 52 C2 G A 2 9.376 -1.927 -1.069 1.00 0.00 C ATOM 53 N2 G A 2 9.898 -1.067 -0.198 1.00 0.00 N ATOM 54 N3 G A 2 9.744 -3.209 -1.020 1.00 0.00 N ATOM 55 C4 G A 2 9.119 -3.963 -1.963 1.00 0.00 C ATOM 0 H5' G A 2 10.770 -9.747 -3.186 1.00 0.00 H new ATOM 0 H5'' G A 2 9.610 -10.490 -2.103 1.00 0.00 H new ATOM 0 H4' G A 2 10.922 -8.929 -0.923 1.00 0.00 H new ATOM 0 H3' G A 2 8.010 -8.070 -1.309 1.00 0.00 H new ATOM 0 H2' G A 2 8.568 -6.176 0.221 1.00 0.00 H new ATOM 0 HO2' G A 2 10.589 -6.077 1.239 1.00 0.00 H new ATOM 0 H1' G A 2 10.997 -5.575 -0.986 1.00 0.00 H new ATOM 0 H8 G A 2 8.345 -6.655 -3.556 1.00 0.00 H new ATOM 0 H1 G A 2 8.264 -0.426 -1.934 1.00 0.00 H new ATOM 0 H21 G A 2 10.569 -1.391 0.499 1.00 0.00 H new ATOM 0 H22 G A 2 9.627 -0.084 -0.227 1.00 0.00 H new ATOM 67 P C A 3 7.104 -9.133 0.860 1.00 0.00 P ATOM 68 OP1 C A 3 6.163 -9.154 -0.284 1.00 0.00 O ATOM 69 OP2 C A 3 7.058 -10.230 1.857 1.00 0.00 O ATOM 70 O5' C A 3 6.911 -7.746 1.650 1.00 0.00 O ATOM 71 C5' C A 3 7.611 -7.500 2.857 1.00 0.00 C ATOM 72 C4' C A 3 7.301 -6.096 3.378 1.00 0.00 C ATOM 73 O4' C A 3 7.784 -5.086 2.502 1.00 0.00 O ATOM 74 C3' C A 3 5.806 -5.825 3.511 1.00 0.00 C ATOM 75 O3' C A 3 5.199 -6.445 4.629 1.00 0.00 O ATOM 76 C2' C A 3 5.841 -4.306 3.625 1.00 0.00 C ATOM 77 O2' C A 3 6.282 -3.890 4.901 1.00 0.00 O ATOM 78 C1' C A 3 6.923 -3.956 2.604 1.00 0.00 C ATOM 79 N1 C A 3 6.282 -3.645 1.305 1.00 0.00 N ATOM 80 C2 C A 3 5.969 -2.316 1.054 1.00 0.00 C ATOM 81 O2 C A 3 6.242 -1.442 1.875 1.00 0.00 O ATOM 82 N3 C A 3 5.355 -1.998 -0.113 1.00 0.00 N ATOM 83 C4 C A 3 5.073 -2.951 -0.998 1.00 0.00 C ATOM 84 N4 C A 3 4.460 -2.602 -2.128 1.00 0.00 N ATOM 85 C5 C A 3 5.405 -4.322 -0.770 1.00 0.00 C ATOM 86 C6 C A 3 6.010 -4.635 0.397 1.00 0.00 C ATOM 0 H5' C A 3 8.683 -7.604 2.690 1.00 0.00 H new ATOM 0 H5'' C A 3 7.331 -8.242 3.605 1.00 0.00 H new ATOM 0 H4' C A 3 7.791 -6.063 4.351 1.00 0.00 H new ATOM 0 H3' C A 3 5.204 -6.225 2.695 1.00 0.00 H new ATOM 0 H2' C A 3 4.867 -3.843 3.468 1.00 0.00 H new ATOM 0 HO2' C A 3 6.294 -2.911 4.940 1.00 0.00 H new ATOM 0 H1' C A 3 7.500 -3.082 2.906 1.00 0.00 H new ATOM 0 H41 C A 3 4.232 -3.311 -2.824 1.00 0.00 H new ATOM 0 H42 C A 3 4.219 -1.625 -2.297 1.00 0.00 H new ATOM 0 H5 C A 3 5.180 -5.081 -1.504 1.00 0.00 H new ATOM 0 H6 C A 3 6.278 -5.659 0.613 1.00 0.00 H new ATOM 98 P G A 4 3.603 -6.673 4.680 1.00 0.00 P ATOM 99 OP1 G A 4 3.186 -7.226 3.369 1.00 0.00 O ATOM 100 OP2 G A 4 3.293 -7.422 5.917 1.00 0.00 O ATOM 101 O5' G A 4 2.997 -5.187 4.819 1.00 0.00 O ATOM 102 C5' G A 4 3.188 -4.434 6.003 1.00 0.00 C ATOM 103 C4' G A 4 2.718 -2.985 5.833 1.00 0.00 C ATOM 104 O4' G A 4 3.398 -2.354 4.761 1.00 0.00 O ATOM 105 C3' G A 4 1.236 -2.825 5.533 1.00 0.00 C ATOM 106 O3' G A 4 0.411 -2.978 6.674 1.00 0.00 O ATOM 107 C2' G A 4 1.265 -1.391 5.027 1.00 0.00 C ATOM 108 O2' G A 4 1.457 -0.478 6.086 1.00 0.00 O ATOM 109 C1' G A 4 2.528 -1.390 4.175 1.00 0.00 C ATOM 110 N9 G A 4 2.173 -1.749 2.779 1.00 0.00 N ATOM 111 C8 G A 4 2.323 -2.942 2.113 1.00 0.00 C ATOM 112 N7 G A 4 1.911 -2.905 0.871 1.00 0.00 N ATOM 113 C5 G A 4 1.445 -1.601 0.702 1.00 0.00 C ATOM 114 C6 G A 4 0.860 -0.982 -0.438 1.00 0.00 C ATOM 115 O6 G A 4 0.661 -1.450 -1.558 1.00 0.00 O ATOM 116 N1 G A 4 0.488 0.325 -0.178 1.00 0.00 N ATOM 117 C2 G A 4 0.662 0.960 1.026 1.00 0.00 C ATOM 118 N2 G A 4 0.226 2.216 1.106 1.00 0.00 N ATOM 119 N3 G A 4 1.222 0.394 2.096 1.00 0.00 N ATOM 120 C4 G A 4 1.592 -0.894 1.870 1.00 0.00 C ATOM 0 H5' G A 4 4.243 -4.445 6.275 1.00 0.00 H new ATOM 0 H5'' G A 4 2.642 -4.900 6.823 1.00 0.00 H new ATOM 0 H4' G A 4 2.934 -2.532 6.800 1.00 0.00 H new ATOM 0 H3' G A 4 0.818 -3.566 4.852 1.00 0.00 H new ATOM 0 H2' G A 4 0.345 -1.104 4.518 1.00 0.00 H new ATOM 0 HO2' G A 4 1.473 0.435 5.732 1.00 0.00 H new ATOM 0 H1' G A 4 3.013 -0.415 4.143 1.00 0.00 H new ATOM 0 H8 G A 4 2.741 -3.826 2.571 1.00 0.00 H new ATOM 0 H1 G A 4 0.054 0.854 -0.935 1.00 0.00 H new ATOM 0 H21 G A 4 0.329 2.737 1.977 1.00 0.00 H new ATOM 0 H22 G A 4 -0.211 2.657 0.296 1.00 0.00 H new ATOM 132 P C A 5 -1.155 -3.326 6.516 1.00 0.00 P ATOM 133 OP1 C A 5 -1.748 -3.473 7.866 1.00 0.00 O ATOM 134 OP2 C A 5 -1.278 -4.439 5.553 1.00 0.00 O ATOM 135 O5' C A 5 -1.788 -2.001 5.833 1.00 0.00 O ATOM 136 C5' C A 5 -1.868 -0.784 6.547 1.00 0.00 C ATOM 137 C4' C A 5 -2.479 0.317 5.685 1.00 0.00 C ATOM 138 O4' C A 5 -1.746 0.523 4.488 1.00 0.00 O ATOM 139 C3' C A 5 -3.904 0.015 5.254 1.00 0.00 C ATOM 140 O3' C A 5 -4.866 0.247 6.266 1.00 0.00 O ATOM 141 C2' C A 5 -4.029 0.978 4.084 1.00 0.00 C ATOM 142 O2' C A 5 -4.236 2.288 4.559 1.00 0.00 O ATOM 143 C1' C A 5 -2.638 0.934 3.462 1.00 0.00 C ATOM 144 N1 C A 5 -2.623 0.000 2.310 1.00 0.00 N ATOM 145 C2 C A 5 -3.203 0.435 1.123 1.00 0.00 C ATOM 146 O2 C A 5 -3.699 1.555 1.052 1.00 0.00 O ATOM 147 N3 C A 5 -3.209 -0.386 0.048 1.00 0.00 N ATOM 148 C4 C A 5 -2.648 -1.594 0.124 1.00 0.00 C ATOM 149 N4 C A 5 -2.662 -2.376 -0.955 1.00 0.00 N ATOM 150 C5 C A 5 -2.037 -2.056 1.330 1.00 0.00 C ATOM 151 C6 C A 5 -2.046 -1.237 2.405 1.00 0.00 C ATOM 0 H5' C A 5 -0.872 -0.484 6.874 1.00 0.00 H new ATOM 0 H5'' C A 5 -2.470 -0.924 7.445 1.00 0.00 H new ATOM 0 H4' C A 5 -2.455 1.199 6.325 1.00 0.00 H new ATOM 0 H3' C A 5 -4.089 -1.032 5.013 1.00 0.00 H new ATOM 0 H2' C A 5 -4.846 0.720 3.411 1.00 0.00 H new ATOM 0 HO2' C A 5 -4.314 2.903 3.800 1.00 0.00 H new ATOM 0 H1' C A 5 -2.338 1.908 3.075 1.00 0.00 H new ATOM 0 H41 C A 5 -2.239 -3.303 -0.918 1.00 0.00 H new ATOM 0 H42 C A 5 -3.096 -2.047 -1.817 1.00 0.00 H new ATOM 0 H5 C A 5 -1.580 -3.033 1.381 1.00 0.00 H new ATOM 0 H6 C A 5 -1.600 -1.557 3.335 1.00 0.00 H new ATOM 163 P A A 6 -6.340 -0.406 6.195 1.00 0.00 P ATOM 164 OP1 A A 6 -6.187 -1.862 5.949 1.00 0.00 O ATOM 165 OP2 A A 6 -7.102 0.062 7.375 1.00 0.00 O ATOM 166 O5' A A 6 -7.013 0.247 4.880 1.00 0.00 O ATOM 167 C5' A A 6 -7.424 1.595 4.847 1.00 0.00 C ATOM 168 C4' A A 6 -7.827 1.936 3.411 1.00 0.00 C ATOM 169 O4' A A 6 -6.799 1.492 2.537 1.00 0.00 O ATOM 170 C3' A A 6 -9.098 1.230 2.967 1.00 0.00 C ATOM 171 O3' A A 6 -10.275 1.921 3.340 1.00 0.00 O ATOM 172 C2' A A 6 -8.886 1.208 1.458 1.00 0.00 C ATOM 173 O2' A A 6 -9.275 2.435 0.897 1.00 0.00 O ATOM 174 C1' A A 6 -7.369 1.130 1.291 1.00 0.00 C ATOM 175 N9 A A 6 -6.924 -0.219 0.903 1.00 0.00 N ATOM 176 C8 A A 6 -6.329 -1.195 1.663 1.00 0.00 C ATOM 177 N7 A A 6 -6.029 -2.279 0.996 1.00 0.00 N ATOM 178 C5 A A 6 -6.499 -2.015 -0.292 1.00 0.00 C ATOM 179 C6 A A 6 -6.526 -2.747 -1.489 1.00 0.00 C ATOM 180 N6 A A 6 -6.047 -3.991 -1.599 1.00 0.00 N ATOM 181 N1 A A 6 -7.069 -2.183 -2.580 1.00 0.00 N ATOM 182 C2 A A 6 -7.564 -0.959 -2.481 1.00 0.00 C ATOM 183 N3 A A 6 -7.605 -0.160 -1.428 1.00 0.00 N ATOM 184 C4 A A 6 -7.049 -0.759 -0.350 1.00 0.00 C ATOM 0 H5' A A 6 -6.617 2.247 5.180 1.00 0.00 H new ATOM 0 H5'' A A 6 -8.262 1.754 5.525 1.00 0.00 H new ATOM 0 H4' A A 6 -7.990 3.013 3.377 1.00 0.00 H new ATOM 0 H3' A A 6 -9.248 0.250 3.421 1.00 0.00 H new ATOM 0 H2' A A 6 -9.445 0.397 0.992 1.00 0.00 H new ATOM 0 HO2' A A 6 -9.718 2.981 1.580 1.00 0.00 H new ATOM 0 H1' A A 6 -7.052 1.801 0.493 1.00 0.00 H new ATOM 0 H8 A A 6 -6.127 -1.078 2.717 1.00 0.00 H new ATOM 0 H61 A A 6 -6.092 -4.478 -2.494 1.00 0.00 H new ATOM 0 H62 A A 6 -5.637 -4.453 -0.788 1.00 0.00 H new ATOM 0 H2 A A 6 -7.994 -0.557 -3.386 1.00 0.00 H new ATOM 196 P U A 7 -11.701 1.168 3.428 1.00 0.00 P ATOM 197 OP1 U A 7 -11.530 -0.041 4.267 1.00 0.00 O ATOM 198 OP2 U A 7 -12.730 2.166 3.788 1.00 0.00 O ATOM 199 O5' U A 7 -11.988 0.683 1.918 1.00 0.00 O ATOM 200 C5' U A 7 -12.369 1.582 0.895 1.00 0.00 C ATOM 201 C4' U A 7 -12.456 0.840 -0.444 1.00 0.00 C ATOM 202 O4' U A 7 -11.289 0.057 -0.641 1.00 0.00 O ATOM 203 C3' U A 7 -13.656 -0.108 -0.446 1.00 0.00 C ATOM 204 O3' U A 7 -14.314 -0.161 -1.697 1.00 0.00 O ATOM 205 C2' U A 7 -12.999 -1.436 -0.109 1.00 0.00 C ATOM 206 O2' U A 7 -13.747 -2.553 -0.537 1.00 0.00 O ATOM 207 C1' U A 7 -11.662 -1.303 -0.811 1.00 0.00 C ATOM 208 N1 U A 7 -10.672 -2.233 -0.225 1.00 0.00 N ATOM 209 C2 U A 7 -10.158 -3.216 -1.051 1.00 0.00 C ATOM 210 O2 U A 7 -10.476 -3.339 -2.236 1.00 0.00 O ATOM 211 N3 U A 7 -9.247 -4.074 -0.466 1.00 0.00 N ATOM 212 C4 U A 7 -8.832 -4.040 0.847 1.00 0.00 C ATOM 213 O4 U A 7 -8.021 -4.864 1.271 1.00 0.00 O ATOM 214 C5 U A 7 -9.419 -2.982 1.642 1.00 0.00 C ATOM 215 C6 U A 7 -10.313 -2.123 1.092 1.00 0.00 C ATOM 0 H5' U A 7 -11.646 2.394 0.824 1.00 0.00 H new ATOM 0 H5'' U A 7 -13.332 2.033 1.135 1.00 0.00 H new ATOM 0 H4' U A 7 -12.558 1.582 -1.235 1.00 0.00 H new ATOM 0 H3' U A 7 -14.442 0.197 0.245 1.00 0.00 H new ATOM 0 H2' U A 7 -12.912 -1.620 0.962 1.00 0.00 H new ATOM 0 HO2' U A 7 -14.286 -2.306 -1.318 1.00 0.00 H new ATOM 0 H1' U A 7 -11.716 -1.563 -1.868 1.00 0.00 H new ATOM 0 H3 U A 7 -8.845 -4.799 -1.061 1.00 0.00 H new ATOM 0 H5 U A 7 -9.143 -2.876 2.681 1.00 0.00 H new ATOM 0 H6 U A 7 -10.747 -1.343 1.700 1.00 0.00 H new ATOM 226 P C A 8 -15.089 1.133 -2.277 1.00 0.00 P ATOM 227 OP1 C A 8 -15.176 2.146 -1.196 1.00 0.00 O ATOM 228 OP2 C A 8 -16.324 0.681 -2.955 1.00 0.00 O ATOM 229 O5' C A 8 -14.072 1.686 -3.391 1.00 0.00 O ATOM 230 C5' C A 8 -14.140 1.207 -4.717 1.00 0.00 C ATOM 231 C4' C A 8 -13.150 1.952 -5.618 1.00 0.00 C ATOM 232 O4' C A 8 -13.350 3.361 -5.496 1.00 0.00 O ATOM 233 C3' C A 8 -11.703 1.667 -5.242 1.00 0.00 C ATOM 234 O3' C A 8 -11.197 0.484 -5.840 1.00 0.00 O ATOM 235 C2' C A 8 -11.063 2.964 -5.724 1.00 0.00 C ATOM 236 O2' C A 8 -10.901 3.064 -7.121 1.00 0.00 O ATOM 237 C1' C A 8 -12.090 3.977 -5.256 1.00 0.00 C ATOM 238 N1 C A 8 -11.973 4.316 -3.813 1.00 0.00 N ATOM 239 C2 C A 8 -12.816 5.325 -3.348 1.00 0.00 C ATOM 240 O2 C A 8 -13.595 5.893 -4.110 1.00 0.00 O ATOM 241 N3 C A 8 -12.759 5.667 -2.039 1.00 0.00 N ATOM 242 C4 C A 8 -11.907 5.061 -1.218 1.00 0.00 C ATOM 243 N4 C A 8 -11.900 5.428 0.062 1.00 0.00 N ATOM 244 C5 C A 8 -11.018 4.041 -1.680 1.00 0.00 C ATOM 245 C6 C A 8 -11.077 3.689 -2.983 1.00 0.00 C ATOM 0 H5' C A 8 -15.152 1.331 -5.101 1.00 0.00 H new ATOM 0 H5'' C A 8 -13.921 0.139 -4.734 1.00 0.00 H new ATOM 0 H4' C A 8 -13.332 1.606 -6.636 1.00 0.00 H new ATOM 0 H3' C A 8 -11.517 1.449 -4.190 1.00 0.00 H new ATOM 0 H2' C A 8 -10.047 3.080 -5.345 1.00 0.00 H new ATOM 0 HO2' C A 8 -10.486 3.924 -7.342 1.00 0.00 H new ATOM 0 H1' C A 8 -11.950 4.918 -5.788 1.00 0.00 H new ATOM 0 H41 C A 8 -11.258 4.982 0.717 1.00 0.00 H new ATOM 0 H42 C A 8 -12.537 6.155 0.387 1.00 0.00 H new ATOM 0 H5 C A 8 -10.320 3.566 -1.007 1.00 0.00 H new ATOM 0 H6 C A 8 -10.424 2.920 -3.369 1.00 0.00 H new ATOM 257 P G A 9 -9.693 -0.023 -5.532 1.00 0.00 P ATOM 258 OP1 G A 9 -9.775 -1.344 -4.856 1.00 0.00 O ATOM 259 OP2 G A 9 -8.945 1.090 -4.908 1.00 0.00 O ATOM 260 O5' G A 9 -9.114 -0.261 -7.012 1.00 0.00 O ATOM 261 C5' G A 9 -9.242 0.766 -7.967 1.00 0.00 C ATOM 262 C4' G A 9 -8.667 0.320 -9.315 1.00 0.00 C ATOM 263 O4' G A 9 -9.400 -0.760 -9.847 1.00 0.00 O ATOM 264 C3' G A 9 -8.844 1.431 -10.340 1.00 0.00 C ATOM 265 O3' G A 9 -8.045 1.222 -11.499 1.00 0.00 O ATOM 266 C2' G A 9 -10.329 1.263 -10.651 1.00 0.00 C ATOM 267 O2' G A 9 -10.637 1.672 -11.970 1.00 0.00 O ATOM 268 C1' G A 9 -10.574 -0.235 -10.443 1.00 0.00 C ATOM 269 N9 G A 9 -11.773 -0.472 -9.608 1.00 0.00 N ATOM 270 C8 G A 9 -12.904 0.302 -9.493 1.00 0.00 C ATOM 271 N7 G A 9 -13.789 -0.167 -8.662 1.00 0.00 N ATOM 272 C5 G A 9 -13.216 -1.346 -8.193 1.00 0.00 C ATOM 273 C6 G A 9 -13.727 -2.301 -7.264 1.00 0.00 C ATOM 274 O6 G A 9 -14.790 -2.273 -6.647 1.00 0.00 O ATOM 275 N1 G A 9 -12.861 -3.365 -7.087 1.00 0.00 N ATOM 276 C2 G A 9 -11.651 -3.498 -7.717 1.00 0.00 C ATOM 277 N2 G A 9 -10.952 -4.591 -7.416 1.00 0.00 N ATOM 278 N3 G A 9 -11.160 -2.614 -8.590 1.00 0.00 N ATOM 279 C4 G A 9 -11.986 -1.553 -8.775 1.00 0.00 C ATOM 0 H5' G A 9 -8.722 1.659 -7.621 1.00 0.00 H new ATOM 0 H5'' G A 9 -10.292 1.033 -8.084 1.00 0.00 H new ATOM 0 H4' G A 9 -7.624 0.057 -9.139 1.00 0.00 H new ATOM 0 H3' G A 9 -8.548 2.421 -9.994 1.00 0.00 H new ATOM 0 H2' G A 9 -10.965 1.881 -10.018 1.00 0.00 H new ATOM 0 HO2' G A 9 -9.836 1.599 -12.530 1.00 0.00 H new ATOM 0 H1' G A 9 -10.773 -0.735 -11.391 1.00 0.00 H new ATOM 0 H8 G A 9 -13.046 1.220 -10.045 1.00 0.00 H new ATOM 0 H1 G A 9 -13.143 -4.103 -6.442 1.00 0.00 H new ATOM 0 H21 G A 9 -10.043 -4.751 -7.850 1.00 0.00 H new ATOM 0 H22 G A 9 -11.326 -5.268 -6.751 1.00 0.00 H new ATOM 291 P G A 10 -6.449 1.393 -11.434 1.00 0.00 P ATOM 292 OP1 G A 10 -5.864 0.244 -10.708 1.00 0.00 O ATOM 293 OP2 G A 10 -5.959 1.732 -12.787 1.00 0.00 O ATOM 294 O5' G A 10 -6.326 2.699 -10.504 1.00 0.00 O ATOM 295 C5' G A 10 -5.345 2.789 -9.494 1.00 0.00 C ATOM 296 C4' G A 10 -5.738 3.879 -8.504 1.00 0.00 C ATOM 297 O4' G A 10 -6.793 3.424 -7.655 1.00 0.00 O ATOM 298 C3' G A 10 -4.526 4.224 -7.649 1.00 0.00 C ATOM 299 O3' G A 10 -3.859 5.357 -8.183 1.00 0.00 O ATOM 300 C2' G A 10 -5.212 4.496 -6.312 1.00 0.00 C ATOM 301 O2' G A 10 -5.729 5.809 -6.203 1.00 0.00 O ATOM 302 C1' G A 10 -6.366 3.495 -6.310 1.00 0.00 C ATOM 303 N9 G A 10 -5.926 2.170 -5.813 1.00 0.00 N ATOM 304 C8 G A 10 -5.879 0.975 -6.487 1.00 0.00 C ATOM 305 N7 G A 10 -5.349 0.000 -5.791 1.00 0.00 N ATOM 306 C5 G A 10 -5.078 0.577 -4.552 1.00 0.00 C ATOM 307 C6 G A 10 -4.517 0.002 -3.373 1.00 0.00 C ATOM 308 O6 G A 10 -4.106 -1.145 -3.200 1.00 0.00 O ATOM 309 N1 G A 10 -4.460 0.914 -2.328 1.00 0.00 N ATOM 310 C2 G A 10 -4.888 2.215 -2.399 1.00 0.00 C ATOM 311 N2 G A 10 -4.778 2.939 -1.290 1.00 0.00 N ATOM 312 N3 G A 10 -5.393 2.769 -3.504 1.00 0.00 N ATOM 313 C4 G A 10 -5.465 1.896 -4.545 1.00 0.00 C ATOM 0 H5' G A 10 -4.374 3.015 -9.934 1.00 0.00 H new ATOM 0 H5'' G A 10 -5.248 1.833 -8.980 1.00 0.00 H new ATOM 0 H4' G A 10 -6.080 4.756 -9.054 1.00 0.00 H new ATOM 0 H3' G A 10 -3.744 3.467 -7.586 1.00 0.00 H new ATOM 0 H2' G A 10 -4.513 4.398 -5.482 1.00 0.00 H new ATOM 0 HO2' G A 10 -6.156 5.921 -5.328 1.00 0.00 H new ATOM 0 H1' G A 10 -7.172 3.806 -5.646 1.00 0.00 H new ATOM 0 H8 G A 10 -6.244 0.850 -7.496 1.00 0.00 H new ATOM 0 H1 G A 10 -4.071 0.593 -1.442 1.00 0.00 H new ATOM 0 H21 G A 10 -5.081 3.913 -1.285 1.00 0.00 H new ATOM 0 H22 G A 10 -4.391 2.521 -0.444 1.00 0.00 H new ATOM 325 P C A 11 -2.287 5.587 -7.946 1.00 0.00 P ATOM 326 OP1 C A 11 -1.896 6.836 -8.644 1.00 0.00 O ATOM 327 OP2 C A 11 -1.590 4.323 -8.269 1.00 0.00 O ATOM 328 O5' C A 11 -2.169 5.839 -6.368 1.00 0.00 O ATOM 329 C5' C A 11 -2.732 6.993 -5.778 1.00 0.00 C ATOM 330 C4' C A 11 -2.620 6.892 -4.255 1.00 0.00 C ATOM 331 O4' C A 11 -3.286 5.752 -3.726 1.00 0.00 O ATOM 332 C3' C A 11 -1.175 6.772 -3.804 1.00 0.00 C ATOM 333 O3' C A 11 -0.496 8.008 -3.816 1.00 0.00 O ATOM 334 C2' C A 11 -1.362 6.188 -2.410 1.00 0.00 C ATOM 335 O2' C A 11 -1.781 7.148 -1.473 1.00 0.00 O ATOM 336 C1' C A 11 -2.520 5.217 -2.651 1.00 0.00 C ATOM 337 N1 C A 11 -1.993 3.871 -2.980 1.00 0.00 N ATOM 338 C2 C A 11 -1.449 3.115 -1.935 1.00 0.00 C ATOM 339 O2 C A 11 -1.428 3.549 -0.789 1.00 0.00 O ATOM 340 N3 C A 11 -0.937 1.883 -2.200 1.00 0.00 N ATOM 341 C4 C A 11 -0.960 1.397 -3.446 1.00 0.00 C ATOM 342 N4 C A 11 -0.441 0.192 -3.647 1.00 0.00 N ATOM 343 C5 C A 11 -1.521 2.142 -4.533 1.00 0.00 C ATOM 344 C6 C A 11 -2.027 3.370 -4.250 1.00 0.00 C ATOM 0 H5' C A 11 -3.777 7.091 -6.071 1.00 0.00 H new ATOM 0 H5'' C A 11 -2.216 7.885 -6.133 1.00 0.00 H new ATOM 0 H4' C A 11 -3.082 7.809 -3.888 1.00 0.00 H new ATOM 0 H3' C A 11 -0.544 6.164 -4.453 1.00 0.00 H new ATOM 0 H2' C A 11 -0.442 5.762 -2.009 1.00 0.00 H new ATOM 0 HO2' C A 11 -1.888 6.724 -0.596 1.00 0.00 H new ATOM 0 H1' C A 11 -3.143 5.106 -1.763 1.00 0.00 H new ATOM 0 H41 C A 11 -0.440 -0.213 -4.583 1.00 0.00 H new ATOM 0 H42 C A 11 -0.043 -0.329 -2.865 1.00 0.00 H new ATOM 0 H5 C A 11 -1.541 1.743 -5.537 1.00 0.00 H new ATOM 0 H6 C A 11 -2.463 3.960 -5.042 1.00 0.00 H new ATOM 356 P G A 12 1.108 8.075 -3.911 1.00 0.00 P ATOM 357 OP1 G A 12 1.517 9.492 -4.021 1.00 0.00 O ATOM 358 OP2 G A 12 1.540 7.103 -4.946 1.00 0.00 O ATOM 359 O5' G A 12 1.596 7.526 -2.485 1.00 0.00 O ATOM 360 C5' G A 12 1.395 8.282 -1.309 1.00 0.00 C ATOM 361 C4' G A 12 2.142 7.627 -0.149 1.00 0.00 C ATOM 362 O4' G A 12 1.590 6.373 0.207 1.00 0.00 O ATOM 363 C3' G A 12 3.604 7.355 -0.500 1.00 0.00 C ATOM 364 O3' G A 12 4.418 8.512 -0.414 1.00 0.00 O ATOM 365 C2' G A 12 3.942 6.309 0.557 1.00 0.00 C ATOM 366 O2' G A 12 4.168 6.904 1.817 1.00 0.00 O ATOM 367 C1' G A 12 2.643 5.502 0.616 1.00 0.00 C ATOM 368 N9 G A 12 2.721 4.342 -0.296 1.00 0.00 N ATOM 369 C8 G A 12 2.178 4.178 -1.547 1.00 0.00 C ATOM 370 N7 G A 12 2.450 3.021 -2.088 1.00 0.00 N ATOM 371 C5 G A 12 3.211 2.366 -1.123 1.00 0.00 C ATOM 372 C6 G A 12 3.766 1.050 -1.120 1.00 0.00 C ATOM 373 O6 G A 12 3.701 0.183 -1.989 1.00 0.00 O ATOM 374 N1 G A 12 4.456 0.785 0.053 1.00 0.00 N ATOM 375 C2 G A 12 4.576 1.650 1.113 1.00 0.00 C ATOM 376 N2 G A 12 5.256 1.208 2.173 1.00 0.00 N ATOM 377 N3 G A 12 4.058 2.879 1.126 1.00 0.00 N ATOM 378 C4 G A 12 3.381 3.167 -0.021 1.00 0.00 C ATOM 0 H5' G A 12 0.331 8.344 -1.081 1.00 0.00 H new ATOM 0 H5'' G A 12 1.750 9.302 -1.455 1.00 0.00 H new ATOM 0 H4' G A 12 2.055 8.336 0.675 1.00 0.00 H new ATOM 0 H3' G A 12 3.772 7.033 -1.528 1.00 0.00 H new ATOM 0 H2' G A 12 4.840 5.737 0.322 1.00 0.00 H new ATOM 0 HO2' G A 12 4.393 7.850 1.696 1.00 0.00 H new ATOM 0 H1' G A 12 2.468 5.125 1.624 1.00 0.00 H new ATOM 0 H8 G A 12 1.583 4.934 -2.037 1.00 0.00 H new ATOM 0 H1 G A 12 4.911 -0.124 0.135 1.00 0.00 H new ATOM 0 H21 G A 12 5.376 1.809 2.989 1.00 0.00 H new ATOM 0 H22 G A 12 5.656 0.270 2.167 1.00 0.00 H new ATOM 390 P C A 13 5.745 8.665 -1.314 1.00 0.00 P ATOM 391 OP1 C A 13 6.360 9.977 -0.994 1.00 0.00 O ATOM 392 OP2 C A 13 5.384 8.352 -2.715 1.00 0.00 O ATOM 393 O5' C A 13 6.719 7.508 -0.765 1.00 0.00 O ATOM 394 C5' C A 13 7.307 7.611 0.519 1.00 0.00 C ATOM 395 C4' C A 13 8.243 6.430 0.759 1.00 0.00 C ATOM 396 O4' C A 13 7.536 5.201 0.853 1.00 0.00 O ATOM 397 C3' C A 13 9.250 6.238 -0.362 1.00 0.00 C ATOM 398 O3' C A 13 10.308 7.180 -0.347 1.00 0.00 O ATOM 399 C2' C A 13 9.705 4.816 -0.061 1.00 0.00 C ATOM 400 O2' C A 13 10.604 4.798 1.029 1.00 0.00 O ATOM 401 C1' C A 13 8.394 4.172 0.389 1.00 0.00 C ATOM 402 N1 C A 13 7.753 3.452 -0.739 1.00 0.00 N ATOM 403 C2 C A 13 8.074 2.115 -0.897 1.00 0.00 C ATOM 404 O2 C A 13 8.876 1.568 -0.148 1.00 0.00 O ATOM 405 N3 C A 13 7.490 1.411 -1.899 1.00 0.00 N ATOM 406 C4 C A 13 6.630 2.003 -2.731 1.00 0.00 C ATOM 407 N4 C A 13 6.091 1.272 -3.699 1.00 0.00 N ATOM 408 C5 C A 13 6.290 3.389 -2.591 1.00 0.00 C ATOM 409 C6 C A 13 6.879 4.074 -1.585 1.00 0.00 C ATOM 0 H5' C A 13 6.530 7.632 1.283 1.00 0.00 H new ATOM 0 H5'' C A 13 7.860 8.547 0.601 1.00 0.00 H new ATOM 0 H4' C A 13 8.748 6.675 1.693 1.00 0.00 H new ATOM 0 H3' C A 13 8.845 6.389 -1.363 1.00 0.00 H new ATOM 0 H2' C A 13 10.207 4.334 -0.899 1.00 0.00 H new ATOM 0 HO2' C A 13 10.883 3.876 1.207 1.00 0.00 H new ATOM 0 H1' C A 13 8.590 3.450 1.182 1.00 0.00 H new ATOM 0 H41 C A 13 5.430 1.696 -4.351 1.00 0.00 H new ATOM 0 H42 C A 13 6.337 0.287 -3.791 1.00 0.00 H new ATOM 0 H5 C A 13 5.592 3.867 -3.262 1.00 0.00 H new ATOM 0 H6 C A 13 6.657 5.122 -1.449 1.00 0.00 H new ATOM 421 P C A 14 11.192 7.457 -1.665 1.00 0.00 P ATOM 422 OP1 C A 14 10.286 7.572 -2.832 1.00 0.00 O ATOM 423 OP2 C A 14 12.132 8.565 -1.362 1.00 0.00 O ATOM 424 O5' C A 14 12.054 6.107 -1.835 1.00 0.00 O ATOM 425 C5' C A 14 13.097 5.792 -0.935 1.00 0.00 C ATOM 426 C4' C A 14 13.723 4.445 -1.307 1.00 0.00 C ATOM 427 O4' C A 14 12.820 3.372 -1.104 1.00 0.00 O ATOM 428 C3' C A 14 14.144 4.367 -2.769 1.00 0.00 C ATOM 429 O3' C A 14 15.370 5.023 -3.035 1.00 0.00 O ATOM 430 C2' C A 14 14.268 2.860 -2.922 1.00 0.00 C ATOM 431 O2' C A 14 15.489 2.397 -2.369 1.00 0.00 O ATOM 432 C1' C A 14 13.118 2.358 -2.052 1.00 0.00 C ATOM 433 N1 C A 14 11.929 2.075 -2.890 1.00 0.00 N ATOM 434 C2 C A 14 11.682 0.752 -3.223 1.00 0.00 C ATOM 435 O2 C A 14 12.407 -0.144 -2.796 1.00 0.00 O ATOM 436 N3 C A 14 10.629 0.458 -4.025 1.00 0.00 N ATOM 437 C4 C A 14 9.831 1.430 -4.478 1.00 0.00 C ATOM 438 N4 C A 14 8.821 1.096 -5.278 1.00 0.00 N ATOM 439 C5 C A 14 10.042 2.797 -4.125 1.00 0.00 C ATOM 440 C6 C A 14 11.102 3.070 -3.332 1.00 0.00 C ATOM 0 H5' C A 14 12.710 5.753 0.083 1.00 0.00 H new ATOM 0 H5'' C A 14 13.856 6.574 -0.958 1.00 0.00 H new ATOM 0 H4' C A 14 14.595 4.364 -0.658 1.00 0.00 H new ATOM 0 H3' C A 14 13.455 4.856 -3.458 1.00 0.00 H new ATOM 0 H2' C A 14 14.242 2.531 -3.961 1.00 0.00 H new ATOM 0 HO2' C A 14 16.104 3.152 -2.256 1.00 0.00 H new ATOM 0 HO3' C A 14 15.587 4.937 -3.987 1.00 0.00 H new ATOM 0 H1' C A 14 13.399 1.435 -1.545 1.00 0.00 H new ATOM 0 H41 C A 14 8.196 1.817 -5.639 1.00 0.00 H new ATOM 0 H42 C A 14 8.672 0.119 -5.530 1.00 0.00 H new ATOM 0 H5 C A 14 9.384 3.578 -4.476 1.00 0.00 H new ATOM 0 H6 C A 14 11.299 4.092 -3.043 1.00 0.00 H new TER 453 C A 14