USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 170 hydrogens (18 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 -21:sc= 0.377 USER MOD Single : A 1 G O5' : rot 15:sc= 0.0442 USER MOD Single : A 2 G O2' : rot -20:sc= -0.469 USER MOD Single : A 3 G O2' : rot -35:sc= 0.296 USER MOD Single : A 4 U O2' : rot -23:sc= 0.268 USER MOD Single : A 5 C O2' : rot -21:sc= 0.235 USER MOD Single : A 6 U O2' : rot -13:sc= -0.189 USER MOD Single : A 7 U O2' : rot -138:sc= -2.24! USER MOD Single : A 8 C O2' : rot 37:sc= 0.209 USER MOD Single : A 9 G O2' : rot -16:sc= 0.282 USER MOD Single : A 10 G O2' : rot -170:sc= -2.57! USER MOD Single : A 11 G O2' : rot -24:sc= 0.293 USER MOD Single : A 12 U O2' : rot -21:sc= 0.323 USER MOD Single : A 13 C O2' : rot -15:sc= 0.307 USER MOD Single : A 14 C O2' : rot -21:sc= 0.11 USER MOD Single : A 14 C O3' : rot 180:sc= 0.118 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 10.873 -4.229 3.340 1.00 0.00 O ATOM 2 C5' G A 1 10.017 -5.332 3.659 1.00 0.00 C ATOM 3 C4' G A 1 9.648 -6.132 2.417 1.00 0.00 C ATOM 4 O4' G A 1 8.716 -7.150 2.765 1.00 0.00 O ATOM 5 C3' G A 1 8.930 -5.349 1.340 1.00 0.00 C ATOM 6 O3' G A 1 9.928 -4.763 0.493 1.00 0.00 O ATOM 7 C2' G A 1 8.230 -6.443 0.549 1.00 0.00 C ATOM 8 O2' G A 1 9.143 -7.056 -0.367 1.00 0.00 O ATOM 9 C1' G A 1 7.843 -7.428 1.656 1.00 0.00 C ATOM 10 N9 G A 1 6.478 -7.198 2.135 1.00 0.00 N ATOM 11 C8 G A 1 6.102 -6.534 3.264 1.00 0.00 C ATOM 12 N7 G A 1 4.812 -6.469 3.436 1.00 0.00 N ATOM 13 C5 G A 1 4.298 -7.143 2.330 1.00 0.00 C ATOM 14 C6 G A 1 2.950 -7.401 1.963 1.00 0.00 C ATOM 15 O6 G A 1 1.921 -7.079 2.550 1.00 0.00 O ATOM 16 N1 G A 1 2.872 -8.110 0.780 1.00 0.00 N ATOM 17 C2 G A 1 3.947 -8.523 0.036 1.00 0.00 C ATOM 18 N2 G A 1 3.688 -9.191 -1.079 1.00 0.00 N ATOM 19 N3 G A 1 5.217 -8.290 0.365 1.00 0.00 N ATOM 20 C4 G A 1 5.316 -7.596 1.524 1.00 0.00 C ATOM 0 H5' G A 1 9.110 -4.963 4.138 1.00 0.00 H new ATOM 0 H5'' G A 1 10.514 -5.983 4.378 1.00 0.00 H new ATOM 0 H4' G A 1 10.607 -6.487 2.040 1.00 0.00 H new ATOM 0 H3' G A 1 8.264 -4.572 1.714 1.00 0.00 H new ATOM 0 H2' G A 1 7.390 -6.093 -0.050 1.00 0.00 H new ATOM 0 HO2' G A 1 9.894 -6.449 -0.536 1.00 0.00 H new ATOM 0 HO5' G A 1 10.856 -4.071 2.373 1.00 0.00 H new ATOM 0 H1' G A 1 7.917 -8.445 1.272 1.00 0.00 H new ATOM 0 H8 G A 1 6.810 -6.100 3.955 1.00 0.00 H new ATOM 0 H1 G A 1 1.942 -8.345 0.433 1.00 0.00 H new ATOM 0 H21 G A 1 4.454 -9.519 -1.667 1.00 0.00 H new ATOM 0 H22 G A 1 2.722 -9.377 -1.350 1.00 0.00 H new ATOM 33 P G A 2 9.735 -3.272 -0.091 1.00 0.00 P ATOM 34 OP1 G A 2 11.060 -2.768 -0.520 1.00 0.00 O ATOM 35 OP2 G A 2 8.930 -2.493 0.877 1.00 0.00 O ATOM 36 O5' G A 2 8.836 -3.520 -1.407 1.00 0.00 O ATOM 37 C5' G A 2 9.434 -3.975 -2.628 1.00 0.00 C ATOM 38 C4' G A 2 8.407 -4.596 -3.574 1.00 0.00 C ATOM 39 O4' G A 2 7.704 -5.641 -2.894 1.00 0.00 O ATOM 40 C3' G A 2 7.299 -3.665 -4.036 1.00 0.00 C ATOM 41 O3' G A 2 7.745 -2.995 -5.224 1.00 0.00 O ATOM 42 C2' G A 2 6.224 -4.655 -4.448 1.00 0.00 C ATOM 43 O2' G A 2 6.555 -5.268 -5.700 1.00 0.00 O ATOM 44 C1' G A 2 6.324 -5.666 -3.308 1.00 0.00 C ATOM 45 N9 G A 2 5.501 -5.272 -2.156 1.00 0.00 N ATOM 46 C8 G A 2 5.882 -4.550 -1.060 1.00 0.00 C ATOM 47 N7 G A 2 4.918 -4.342 -0.207 1.00 0.00 N ATOM 48 C5 G A 2 3.821 -4.973 -0.784 1.00 0.00 C ATOM 49 C6 G A 2 2.482 -5.088 -0.322 1.00 0.00 C ATOM 50 O6 G A 2 1.988 -4.648 0.711 1.00 0.00 O ATOM 51 N1 G A 2 1.697 -5.801 -1.208 1.00 0.00 N ATOM 52 C2 G A 2 2.134 -6.342 -2.389 1.00 0.00 C ATOM 53 N2 G A 2 1.242 -6.991 -3.122 1.00 0.00 N ATOM 54 N3 G A 2 3.382 -6.246 -2.837 1.00 0.00 N ATOM 55 C4 G A 2 4.169 -5.548 -1.983 1.00 0.00 C ATOM 0 H5' G A 2 10.207 -4.709 -2.401 1.00 0.00 H new ATOM 0 H5'' G A 2 9.925 -3.138 -3.125 1.00 0.00 H new ATOM 0 H4' G A 2 9.002 -4.910 -4.431 1.00 0.00 H new ATOM 0 H3' G A 2 6.991 -2.924 -3.298 1.00 0.00 H new ATOM 0 H2' G A 2 5.233 -4.223 -4.590 1.00 0.00 H new ATOM 0 HO2' G A 2 7.208 -4.712 -6.174 1.00 0.00 H new ATOM 0 H1' G A 2 5.981 -6.645 -3.643 1.00 0.00 H new ATOM 0 H8 G A 2 6.888 -4.186 -0.914 1.00 0.00 H new ATOM 0 H1 G A 2 0.716 -5.935 -0.964 1.00 0.00 H new ATOM 0 H21 G A 2 1.519 -7.411 -4.009 1.00 0.00 H new ATOM 0 H22 G A 2 0.278 -7.071 -2.799 1.00 0.00 H new ATOM 67 P G A 3 7.046 -1.623 -5.704 1.00 0.00 P ATOM 68 OP1 G A 3 7.596 -1.264 -7.030 1.00 0.00 O ATOM 69 OP2 G A 3 7.114 -0.654 -4.589 1.00 0.00 O ATOM 70 O5' G A 3 5.504 -2.059 -5.900 1.00 0.00 O ATOM 71 C5' G A 3 5.095 -2.809 -7.051 1.00 0.00 C ATOM 72 C4' G A 3 3.624 -3.213 -6.974 1.00 0.00 C ATOM 73 O4' G A 3 3.388 -3.961 -5.776 1.00 0.00 O ATOM 74 C3' G A 3 2.642 -2.069 -6.855 1.00 0.00 C ATOM 75 O3' G A 3 2.353 -1.599 -8.178 1.00 0.00 O ATOM 76 C2' G A 3 1.405 -2.786 -6.336 1.00 0.00 C ATOM 77 O2' G A 3 0.741 -3.487 -7.394 1.00 0.00 O ATOM 78 C1' G A 3 2.027 -3.771 -5.340 1.00 0.00 C ATOM 79 N9 G A 3 2.028 -3.245 -3.962 1.00 0.00 N ATOM 80 C8 G A 3 3.079 -2.765 -3.224 1.00 0.00 C ATOM 81 N7 G A 3 2.738 -2.354 -2.035 1.00 0.00 N ATOM 82 C5 G A 3 1.367 -2.577 -1.983 1.00 0.00 C ATOM 83 C6 G A 3 0.435 -2.327 -0.938 1.00 0.00 C ATOM 84 O6 G A 3 0.643 -1.851 0.175 1.00 0.00 O ATOM 85 N1 G A 3 -0.846 -2.694 -1.299 1.00 0.00 N ATOM 86 C2 G A 3 -1.198 -3.238 -2.506 1.00 0.00 C ATOM 87 N2 G A 3 -2.478 -3.532 -2.684 1.00 0.00 N ATOM 88 N3 G A 3 -0.342 -3.480 -3.494 1.00 0.00 N ATOM 89 C4 G A 3 0.923 -3.124 -3.162 1.00 0.00 C ATOM 0 H5' G A 3 5.713 -3.703 -7.140 1.00 0.00 H new ATOM 0 H5'' G A 3 5.262 -2.215 -7.950 1.00 0.00 H new ATOM 0 H4' G A 3 3.463 -3.751 -7.908 1.00 0.00 H new ATOM 0 H3' G A 3 2.981 -1.234 -6.242 1.00 0.00 H new ATOM 0 H2' G A 3 0.651 -2.126 -5.907 1.00 0.00 H new ATOM 0 HO2' G A 3 0.826 -2.978 -8.227 1.00 0.00 H new ATOM 0 H1' G A 3 1.452 -4.697 -5.321 1.00 0.00 H new ATOM 0 H8 G A 3 4.093 -2.731 -3.593 1.00 0.00 H new ATOM 0 H1 G A 3 -1.588 -2.549 -0.614 1.00 0.00 H new ATOM 0 H21 G A 3 -2.790 -3.939 -3.566 1.00 0.00 H new ATOM 0 H22 G A 3 -3.151 -3.351 -1.939 1.00 0.00 H new ATOM 101 P U A 4 1.904 -0.072 -8.425 1.00 0.00 P ATOM 102 OP1 U A 4 1.398 0.044 -9.810 1.00 0.00 O ATOM 103 OP2 U A 4 2.997 0.812 -7.961 1.00 0.00 O ATOM 104 O5' U A 4 0.660 0.100 -7.413 1.00 0.00 O ATOM 105 C5' U A 4 -0.654 -0.339 -7.782 1.00 0.00 C ATOM 106 C4' U A 4 -1.659 -0.120 -6.653 1.00 0.00 C ATOM 107 O4' U A 4 -1.266 -0.881 -5.503 1.00 0.00 O ATOM 108 C3' U A 4 -1.731 1.299 -6.128 1.00 0.00 C ATOM 109 O3' U A 4 -2.678 2.016 -6.929 1.00 0.00 O ATOM 110 C2' U A 4 -2.347 1.088 -4.756 1.00 0.00 C ATOM 111 O2' U A 4 -3.751 0.835 -4.857 1.00 0.00 O ATOM 112 C1' U A 4 -1.604 -0.168 -4.296 1.00 0.00 C ATOM 113 N1 U A 4 -0.359 0.150 -3.561 1.00 0.00 N ATOM 114 C2 U A 4 -0.462 0.409 -2.208 1.00 0.00 C ATOM 115 O2 U A 4 -1.536 0.402 -1.611 1.00 0.00 O ATOM 116 N3 U A 4 0.715 0.700 -1.557 1.00 0.00 N ATOM 117 C4 U A 4 1.969 0.757 -2.129 1.00 0.00 C ATOM 118 O4 U A 4 2.942 1.043 -1.440 1.00 0.00 O ATOM 119 C5 U A 4 2.000 0.475 -3.545 1.00 0.00 C ATOM 120 C6 U A 4 0.852 0.184 -4.205 1.00 0.00 C ATOM 0 H5' U A 4 -0.625 -1.397 -8.043 1.00 0.00 H new ATOM 0 H5'' U A 4 -0.982 0.200 -8.671 1.00 0.00 H new ATOM 0 H4' U A 4 -2.614 -0.404 -7.095 1.00 0.00 H new ATOM 0 H3' U A 4 -0.782 1.835 -6.126 1.00 0.00 H new ATOM 0 H2' U A 4 -2.257 1.943 -4.086 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.090 1.205 -5.699 1.00 0.00 H new ATOM 0 H1' U A 4 -2.231 -0.743 -3.615 1.00 0.00 H new ATOM 0 H3 U A 4 0.654 0.892 -0.557 1.00 0.00 H new ATOM 0 H5 U A 4 2.939 0.496 -4.079 1.00 0.00 H new ATOM 0 H6 U A 4 0.892 -0.026 -5.264 1.00 0.00 H new ATOM 131 P C A 5 -2.574 3.618 -7.085 1.00 0.00 P ATOM 132 OP1 C A 5 -3.443 4.033 -8.208 1.00 0.00 O ATOM 133 OP2 C A 5 -1.142 3.992 -7.081 1.00 0.00 O ATOM 134 O5' C A 5 -3.232 4.145 -5.711 1.00 0.00 O ATOM 135 C5' C A 5 -4.652 4.304 -5.591 1.00 0.00 C ATOM 136 C4' C A 5 -5.055 4.771 -4.195 1.00 0.00 C ATOM 137 O4' C A 5 -4.636 3.803 -3.225 1.00 0.00 O ATOM 138 C3' C A 5 -4.387 6.046 -3.724 1.00 0.00 C ATOM 139 O3' C A 5 -5.175 7.152 -4.183 1.00 0.00 O ATOM 140 C2' C A 5 -4.564 5.945 -2.220 1.00 0.00 C ATOM 141 O2' C A 5 -5.910 6.249 -1.844 1.00 0.00 O ATOM 142 C1' C A 5 -4.267 4.461 -1.996 1.00 0.00 C ATOM 143 N1 C A 5 -2.836 4.204 -1.728 1.00 0.00 N ATOM 144 C2 C A 5 -2.424 4.170 -0.406 1.00 0.00 C ATOM 145 O2 C A 5 -3.228 4.363 0.502 1.00 0.00 O ATOM 146 N3 C A 5 -1.116 3.929 -0.135 1.00 0.00 N ATOM 147 C4 C A 5 -0.240 3.728 -1.123 1.00 0.00 C ATOM 148 N4 C A 5 1.027 3.502 -0.788 1.00 0.00 N ATOM 149 C5 C A 5 -0.652 3.760 -2.491 1.00 0.00 C ATOM 150 C6 C A 5 -1.950 4.001 -2.748 1.00 0.00 C ATOM 0 H5' C A 5 -5.144 3.357 -5.813 1.00 0.00 H new ATOM 0 H5'' C A 5 -5.001 5.025 -6.330 1.00 0.00 H new ATOM 0 H4' C A 5 -6.132 4.922 -4.274 1.00 0.00 H new ATOM 0 H3' C A 5 -3.357 6.173 -4.058 1.00 0.00 H new ATOM 0 H2' C A 5 -3.940 6.629 -1.644 1.00 0.00 H new ATOM 0 HO2' C A 5 -6.340 6.765 -2.557 1.00 0.00 H new ATOM 0 H1' C A 5 -4.817 4.100 -1.127 1.00 0.00 H new ATOM 0 H41 C A 5 1.726 3.344 -1.514 1.00 0.00 H new ATOM 0 H42 C A 5 1.300 3.487 0.195 1.00 0.00 H new ATOM 0 H5 C A 5 0.055 3.596 -3.291 1.00 0.00 H new ATOM 0 H6 C A 5 -2.295 4.034 -3.771 1.00 0.00 H new ATOM 162 P U A 6 -4.483 8.567 -4.525 1.00 0.00 P ATOM 163 OP1 U A 6 -5.515 9.463 -5.097 1.00 0.00 O ATOM 164 OP2 U A 6 -3.236 8.304 -5.279 1.00 0.00 O ATOM 165 O5' U A 6 -4.077 9.123 -3.068 1.00 0.00 O ATOM 166 C5' U A 6 -5.077 9.605 -2.162 1.00 0.00 C ATOM 167 C4' U A 6 -4.554 9.685 -0.730 1.00 0.00 C ATOM 168 O4' U A 6 -4.075 8.395 -0.326 1.00 0.00 O ATOM 169 C3' U A 6 -3.358 10.595 -0.534 1.00 0.00 C ATOM 170 O3' U A 6 -3.871 11.900 -0.223 1.00 0.00 O ATOM 171 C2' U A 6 -2.728 10.032 0.731 1.00 0.00 C ATOM 172 O2' U A 6 -3.447 10.465 1.887 1.00 0.00 O ATOM 173 C1' U A 6 -2.909 8.528 0.510 1.00 0.00 C ATOM 174 N1 U A 6 -1.758 7.912 -0.183 1.00 0.00 N ATOM 175 C2 U A 6 -0.806 7.276 0.592 1.00 0.00 C ATOM 176 O2 U A 6 -0.884 7.207 1.815 1.00 0.00 O ATOM 177 N3 U A 6 0.249 6.712 -0.090 1.00 0.00 N ATOM 178 C4 U A 6 0.437 6.724 -1.456 1.00 0.00 C ATOM 179 O4 U A 6 1.418 6.175 -1.944 1.00 0.00 O ATOM 180 C5 U A 6 -0.596 7.405 -2.200 1.00 0.00 C ATOM 181 C6 U A 6 -1.643 7.967 -1.550 1.00 0.00 C ATOM 0 H5' U A 6 -5.945 8.947 -2.196 1.00 0.00 H new ATOM 0 H5'' U A 6 -5.412 10.592 -2.482 1.00 0.00 H new ATOM 0 H4' U A 6 -5.400 10.066 -0.159 1.00 0.00 H new ATOM 0 H3' U A 6 -2.680 10.652 -1.385 1.00 0.00 H new ATOM 0 H2' U A 6 -1.696 10.340 0.897 1.00 0.00 H new ATOM 0 HO2' U A 6 -4.058 11.190 1.640 1.00 0.00 H new ATOM 0 H1' U A 6 -3.002 8.025 1.472 1.00 0.00 H new ATOM 0 H3 U A 6 0.960 6.240 0.469 1.00 0.00 H new ATOM 0 H5 U A 6 -0.534 7.466 -3.276 1.00 0.00 H new ATOM 0 H6 U A 6 -2.407 8.472 -2.122 1.00 0.00 H new ATOM 192 P U A 7 -2.946 13.211 -0.358 1.00 0.00 P ATOM 193 OP1 U A 7 -3.823 14.372 -0.625 1.00 0.00 O ATOM 194 OP2 U A 7 -1.826 12.903 -1.279 1.00 0.00 O ATOM 195 O5' U A 7 -2.350 13.354 1.132 1.00 0.00 O ATOM 196 C5' U A 7 -1.902 14.619 1.631 1.00 0.00 C ATOM 197 C4' U A 7 -1.851 14.634 3.156 1.00 0.00 C ATOM 198 O4' U A 7 -3.180 14.454 3.681 1.00 0.00 O ATOM 199 C3' U A 7 -1.022 13.508 3.771 1.00 0.00 C ATOM 200 O3' U A 7 -0.477 13.999 5.002 1.00 0.00 O ATOM 201 C2' U A 7 -2.060 12.451 4.118 1.00 0.00 C ATOM 202 O2' U A 7 -1.603 11.618 5.188 1.00 0.00 O ATOM 203 C1' U A 7 -3.218 13.328 4.567 1.00 0.00 C ATOM 204 N1 U A 7 -4.527 12.654 4.434 1.00 0.00 N ATOM 205 C2 U A 7 -5.163 12.257 5.597 1.00 0.00 C ATOM 206 O2 U A 7 -4.695 12.461 6.712 1.00 0.00 O ATOM 207 N3 U A 7 -6.373 11.622 5.435 1.00 0.00 N ATOM 208 C4 U A 7 -6.996 11.350 4.237 1.00 0.00 C ATOM 209 O4 U A 7 -8.081 10.774 4.229 1.00 0.00 O ATOM 210 C5 U A 7 -6.275 11.793 3.067 1.00 0.00 C ATOM 211 C6 U A 7 -5.082 12.422 3.202 1.00 0.00 C ATOM 0 H5' U A 7 -2.570 15.406 1.281 1.00 0.00 H new ATOM 0 H5'' U A 7 -0.912 14.839 1.231 1.00 0.00 H new ATOM 0 H4' U A 7 -1.397 15.592 3.411 1.00 0.00 H new ATOM 0 H3' U A 7 -0.224 13.144 3.124 1.00 0.00 H new ATOM 0 H2' U A 7 -2.299 11.764 3.306 1.00 0.00 H new ATOM 0 HO2' U A 7 -1.833 10.685 4.997 1.00 0.00 H new ATOM 0 H1' U A 7 -3.116 13.588 5.621 1.00 0.00 H new ATOM 0 H3 U A 7 -6.855 11.324 6.283 1.00 0.00 H new ATOM 0 H5 U A 7 -6.687 11.623 2.083 1.00 0.00 H new ATOM 0 H6 U A 7 -4.556 12.748 2.317 1.00 0.00 H new ATOM 222 P C A 8 1.119 14.097 5.199 1.00 0.00 P ATOM 223 OP1 C A 8 1.397 14.320 6.635 1.00 0.00 O ATOM 224 OP2 C A 8 1.652 15.038 4.188 1.00 0.00 O ATOM 225 O5' C A 8 1.610 12.609 4.809 1.00 0.00 O ATOM 226 C5' C A 8 1.281 11.490 5.640 1.00 0.00 C ATOM 227 C4' C A 8 1.863 10.185 5.099 1.00 0.00 C ATOM 228 O4' C A 8 1.236 9.859 3.847 1.00 0.00 O ATOM 229 C3' C A 8 3.364 10.228 4.803 1.00 0.00 C ATOM 230 O3' C A 8 3.884 8.909 5.052 1.00 0.00 O ATOM 231 C2' C A 8 3.422 10.469 3.300 1.00 0.00 C ATOM 232 O2' C A 8 4.639 9.955 2.748 1.00 0.00 O ATOM 233 C1' C A 8 2.223 9.654 2.833 1.00 0.00 C ATOM 234 N1 C A 8 1.673 10.114 1.540 1.00 0.00 N ATOM 235 C2 C A 8 1.812 9.272 0.446 1.00 0.00 C ATOM 236 O2 C A 8 2.391 8.195 0.561 1.00 0.00 O ATOM 237 N3 C A 8 1.291 9.665 -0.749 1.00 0.00 N ATOM 238 C4 C A 8 0.659 10.837 -0.865 1.00 0.00 C ATOM 239 N4 C A 8 0.161 11.156 -2.055 1.00 0.00 N ATOM 240 C5 C A 8 0.514 11.710 0.257 1.00 0.00 C ATOM 241 C6 C A 8 1.032 11.312 1.432 1.00 0.00 C ATOM 0 H5' C A 8 0.197 11.400 5.715 1.00 0.00 H new ATOM 0 H5'' C A 8 1.657 11.664 6.648 1.00 0.00 H new ATOM 0 H4' C A 8 1.681 9.456 5.889 1.00 0.00 H new ATOM 0 H3' C A 8 3.911 10.968 5.387 1.00 0.00 H new ATOM 0 H2' C A 8 3.397 11.518 3.006 1.00 0.00 H new ATOM 0 HO2' C A 8 4.879 9.122 3.205 1.00 0.00 H new ATOM 0 H1' C A 8 2.512 8.614 2.685 1.00 0.00 H new ATOM 0 H41 C A 8 -0.328 12.042 -2.182 1.00 0.00 H new ATOM 0 H42 C A 8 0.268 10.515 -2.841 1.00 0.00 H new ATOM 0 H5 C A 8 0.005 12.658 0.164 1.00 0.00 H new ATOM 0 H6 C A 8 0.939 11.948 2.300 1.00 0.00 H new ATOM 253 P G A 9 5.097 8.679 6.097 1.00 0.00 P ATOM 254 OP1 G A 9 5.815 9.963 6.266 1.00 0.00 O ATOM 255 OP2 G A 9 5.841 7.470 5.678 1.00 0.00 O ATOM 256 O5' G A 9 4.334 8.344 7.480 1.00 0.00 O ATOM 257 C5' G A 9 3.385 9.260 8.041 1.00 0.00 C ATOM 258 C4' G A 9 2.446 8.569 9.027 1.00 0.00 C ATOM 259 O4' G A 9 1.259 9.363 9.175 1.00 0.00 O ATOM 260 C3' G A 9 1.911 7.223 8.577 1.00 0.00 C ATOM 261 O3' G A 9 2.836 6.222 9.023 1.00 0.00 O ATOM 262 C2' G A 9 0.650 7.087 9.412 1.00 0.00 C ATOM 263 O2' G A 9 0.972 6.714 10.757 1.00 0.00 O ATOM 264 C1' G A 9 0.107 8.516 9.362 1.00 0.00 C ATOM 265 N9 G A 9 -0.846 8.733 8.248 1.00 0.00 N ATOM 266 C8 G A 9 -2.074 9.342 8.289 1.00 0.00 C ATOM 267 N7 G A 9 -2.686 9.374 7.137 1.00 0.00 N ATOM 268 C5 G A 9 -1.802 8.742 6.268 1.00 0.00 C ATOM 269 C6 G A 9 -1.919 8.477 4.875 1.00 0.00 C ATOM 270 O6 G A 9 -2.851 8.743 4.122 1.00 0.00 O ATOM 271 N1 G A 9 -0.807 7.822 4.384 1.00 0.00 N ATOM 272 C2 G A 9 0.285 7.462 5.131 1.00 0.00 C ATOM 273 N2 G A 9 1.271 6.843 4.498 1.00 0.00 N ATOM 274 N3 G A 9 0.412 7.701 6.432 1.00 0.00 N ATOM 275 C4 G A 9 -0.668 8.344 6.937 1.00 0.00 C ATOM 0 H5' G A 9 2.801 9.715 7.241 1.00 0.00 H new ATOM 0 H5'' G A 9 3.914 10.067 8.547 1.00 0.00 H new ATOM 0 H4' G A 9 3.050 8.443 9.925 1.00 0.00 H new ATOM 0 H3' G A 9 1.756 7.130 7.502 1.00 0.00 H new ATOM 0 H2' G A 9 -0.047 6.327 9.057 1.00 0.00 H new ATOM 0 HO2' G A 9 1.894 6.384 10.793 1.00 0.00 H new ATOM 0 H1' G A 9 -0.444 8.732 10.277 1.00 0.00 H new ATOM 0 H8 G A 9 -2.496 9.757 9.192 1.00 0.00 H new ATOM 0 H1 G A 9 -0.797 7.588 3.391 1.00 0.00 H new ATOM 0 H21 G A 9 2.105 6.555 5.010 1.00 0.00 H new ATOM 0 H22 G A 9 1.196 6.654 3.498 1.00 0.00 H new ATOM 287 P G A 10 3.617 5.283 7.967 1.00 0.00 P ATOM 288 OP1 G A 10 5.033 5.196 8.391 1.00 0.00 O ATOM 289 OP2 G A 10 3.283 5.736 6.597 1.00 0.00 O ATOM 290 O5' G A 10 2.936 3.835 8.200 1.00 0.00 O ATOM 291 C5' G A 10 2.344 3.493 9.464 1.00 0.00 C ATOM 292 C4' G A 10 0.823 3.387 9.373 1.00 0.00 C ATOM 293 O4' G A 10 0.351 4.466 8.553 1.00 0.00 O ATOM 294 C3' G A 10 0.311 2.139 8.665 1.00 0.00 C ATOM 295 O3' G A 10 0.012 1.160 9.671 1.00 0.00 O ATOM 296 C2' G A 10 -1.007 2.604 8.077 1.00 0.00 C ATOM 297 O2' G A 10 -2.028 2.666 9.079 1.00 0.00 O ATOM 298 C1' G A 10 -0.630 4.002 7.611 1.00 0.00 C ATOM 299 N9 G A 10 0.020 3.963 6.292 1.00 0.00 N ATOM 300 C8 G A 10 1.318 3.630 6.009 1.00 0.00 C ATOM 301 N7 G A 10 1.602 3.665 4.738 1.00 0.00 N ATOM 302 C5 G A 10 0.407 4.047 4.138 1.00 0.00 C ATOM 303 C6 G A 10 0.098 4.254 2.768 1.00 0.00 C ATOM 304 O6 G A 10 0.838 4.150 1.794 1.00 0.00 O ATOM 305 N1 G A 10 -1.219 4.629 2.595 1.00 0.00 N ATOM 306 C2 G A 10 -2.133 4.791 3.603 1.00 0.00 C ATOM 307 N2 G A 10 -3.355 5.161 3.250 1.00 0.00 N ATOM 308 N3 G A 10 -1.862 4.604 4.893 1.00 0.00 N ATOM 309 C4 G A 10 -0.573 4.234 5.086 1.00 0.00 C ATOM 0 H5' G A 10 2.611 4.246 10.205 1.00 0.00 H new ATOM 0 H5'' G A 10 2.753 2.544 9.811 1.00 0.00 H new ATOM 0 H4' G A 10 0.473 3.385 10.405 1.00 0.00 H new ATOM 0 H3' G A 10 1.006 1.723 7.936 1.00 0.00 H new ATOM 0 H2' G A 10 -1.408 1.952 7.301 1.00 0.00 H new ATOM 0 HO2' G A 10 -2.898 2.813 8.651 1.00 0.00 H new ATOM 0 H1' G A 10 -1.517 4.632 7.545 1.00 0.00 H new ATOM 0 H8 G A 10 2.038 3.363 6.768 1.00 0.00 H new ATOM 0 H1 G A 10 -1.537 4.799 1.641 1.00 0.00 H new ATOM 0 H21 G A 10 -4.073 5.295 3.962 1.00 0.00 H new ATOM 0 H22 G A 10 -3.578 5.311 2.266 1.00 0.00 H new ATOM 321 P G A 11 -0.126 -0.399 9.284 1.00 0.00 P ATOM 322 OP1 G A 11 -0.374 -1.165 10.528 1.00 0.00 O ATOM 323 OP2 G A 11 1.012 -0.764 8.410 1.00 0.00 O ATOM 324 O5' G A 11 -1.472 -0.428 8.395 1.00 0.00 O ATOM 325 C5' G A 11 -2.740 -0.084 8.971 1.00 0.00 C ATOM 326 C4' G A 11 -3.800 0.177 7.903 1.00 0.00 C ATOM 327 O4' G A 11 -3.353 1.217 7.024 1.00 0.00 O ATOM 328 C3' G A 11 -4.065 -0.983 6.962 1.00 0.00 C ATOM 329 O3' G A 11 -5.067 -1.808 7.574 1.00 0.00 O ATOM 330 C2' G A 11 -4.704 -0.282 5.774 1.00 0.00 C ATOM 331 O2' G A 11 -6.077 0.027 6.040 1.00 0.00 O ATOM 332 C1' G A 11 -3.869 1.002 5.695 1.00 0.00 C ATOM 333 N9 G A 11 -2.734 0.890 4.756 1.00 0.00 N ATOM 334 C8 G A 11 -1.420 0.606 5.027 1.00 0.00 C ATOM 335 N7 G A 11 -0.659 0.590 3.969 1.00 0.00 N ATOM 336 C5 G A 11 -1.528 0.885 2.925 1.00 0.00 C ATOM 337 C6 G A 11 -1.274 1.008 1.529 1.00 0.00 C ATOM 338 O6 G A 11 -0.207 0.887 0.932 1.00 0.00 O ATOM 339 N1 G A 11 -2.424 1.310 0.827 1.00 0.00 N ATOM 340 C2 G A 11 -3.666 1.481 1.385 1.00 0.00 C ATOM 341 N2 G A 11 -4.660 1.776 0.561 1.00 0.00 N ATOM 342 N3 G A 11 -3.921 1.370 2.687 1.00 0.00 N ATOM 343 C4 G A 11 -2.805 1.070 3.396 1.00 0.00 C ATOM 0 H5' G A 11 -2.627 0.803 9.594 1.00 0.00 H new ATOM 0 H5'' G A 11 -3.073 -0.891 9.623 1.00 0.00 H new ATOM 0 H4' G A 11 -4.697 0.403 8.479 1.00 0.00 H new ATOM 0 H3' G A 11 -3.191 -1.586 6.716 1.00 0.00 H new ATOM 0 H2' G A 11 -4.710 -0.874 4.859 1.00 0.00 H new ATOM 0 HO2' G A 11 -6.423 -0.584 6.723 1.00 0.00 H new ATOM 0 H1' G A 11 -4.492 1.820 5.333 1.00 0.00 H new ATOM 0 H8 G A 11 -1.051 0.414 6.023 1.00 0.00 H new ATOM 0 H1 G A 11 -2.344 1.414 -0.185 1.00 0.00 H new ATOM 0 H21 G A 11 -5.602 1.913 0.927 1.00 0.00 H new ATOM 0 H22 G A 11 -4.483 1.866 -0.439 1.00 0.00 H new ATOM 355 P U A 12 -5.062 -3.404 7.368 1.00 0.00 P ATOM 356 OP1 U A 12 -6.283 -3.960 7.995 1.00 0.00 O ATOM 357 OP2 U A 12 -3.729 -3.918 7.760 1.00 0.00 O ATOM 358 O5' U A 12 -5.200 -3.553 5.770 1.00 0.00 O ATOM 359 C5' U A 12 -6.444 -3.286 5.109 1.00 0.00 C ATOM 360 C4' U A 12 -6.256 -3.159 3.601 1.00 0.00 C ATOM 361 O4' U A 12 -5.381 -2.057 3.326 1.00 0.00 O ATOM 362 C3' U A 12 -5.567 -4.340 2.946 1.00 0.00 C ATOM 363 O3' U A 12 -6.589 -5.264 2.547 1.00 0.00 O ATOM 364 C2' U A 12 -4.984 -3.720 1.689 1.00 0.00 C ATOM 365 O2' U A 12 -5.996 -3.545 0.693 1.00 0.00 O ATOM 366 C1' U A 12 -4.510 -2.367 2.224 1.00 0.00 C ATOM 367 N1 U A 12 -3.117 -2.411 2.725 1.00 0.00 N ATOM 368 C2 U A 12 -2.105 -2.127 1.828 1.00 0.00 C ATOM 369 O2 U A 12 -2.321 -1.865 0.649 1.00 0.00 O ATOM 370 N3 U A 12 -0.824 -2.166 2.329 1.00 0.00 N ATOM 371 C4 U A 12 -0.467 -2.462 3.628 1.00 0.00 C ATOM 372 O4 U A 12 0.714 -2.470 3.949 1.00 0.00 O ATOM 373 C5 U A 12 -1.575 -2.749 4.506 1.00 0.00 C ATOM 374 C6 U A 12 -2.845 -2.715 4.034 1.00 0.00 C ATOM 0 H5' U A 12 -6.877 -2.366 5.502 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.151 -4.088 5.323 1.00 0.00 H new ATOM 0 H4' U A 12 -7.268 -3.058 3.209 1.00 0.00 H new ATOM 0 H3' U A 12 -4.836 -4.847 3.576 1.00 0.00 H new ATOM 0 H2' U A 12 -4.206 -4.315 1.210 1.00 0.00 H new ATOM 0 HO2' U A 12 -6.745 -4.150 0.878 1.00 0.00 H new ATOM 0 H1' U A 12 -4.537 -1.627 1.424 1.00 0.00 H new ATOM 0 H3 U A 12 -0.067 -1.956 1.678 1.00 0.00 H new ATOM 0 H5 U A 12 -1.392 -2.992 5.542 1.00 0.00 H new ATOM 0 H6 U A 12 -3.663 -2.933 4.705 1.00 0.00 H new ATOM 385 P C A 13 -6.654 -6.744 3.185 1.00 0.00 P ATOM 386 OP1 C A 13 -8.076 -7.142 3.294 1.00 0.00 O ATOM 387 OP2 C A 13 -5.782 -6.775 4.381 1.00 0.00 O ATOM 388 O5' C A 13 -5.959 -7.642 2.042 1.00 0.00 O ATOM 389 C5' C A 13 -6.711 -8.111 0.913 1.00 0.00 C ATOM 390 C4' C A 13 -5.797 -8.494 -0.247 1.00 0.00 C ATOM 391 O4' C A 13 -5.076 -7.332 -0.681 1.00 0.00 O ATOM 392 C3' C A 13 -4.710 -9.493 0.102 1.00 0.00 C ATOM 393 O3' C A 13 -5.242 -10.801 -0.145 1.00 0.00 O ATOM 394 C2' C A 13 -3.658 -9.210 -0.959 1.00 0.00 C ATOM 395 O2' C A 13 -4.020 -9.809 -2.207 1.00 0.00 O ATOM 396 C1' C A 13 -3.730 -7.683 -1.051 1.00 0.00 C ATOM 397 N1 C A 13 -2.799 -7.011 -0.117 1.00 0.00 N ATOM 398 C2 C A 13 -1.568 -6.607 -0.611 1.00 0.00 C ATOM 399 O2 C A 13 -1.269 -6.811 -1.784 1.00 0.00 O ATOM 400 N3 C A 13 -0.699 -5.982 0.229 1.00 0.00 N ATOM 401 C4 C A 13 -1.025 -5.760 1.505 1.00 0.00 C ATOM 402 N4 C A 13 -0.128 -5.149 2.273 1.00 0.00 N ATOM 403 C5 C A 13 -2.292 -6.171 2.025 1.00 0.00 C ATOM 404 C6 C A 13 -3.144 -6.788 1.186 1.00 0.00 C ATOM 0 H5' C A 13 -7.406 -7.336 0.590 1.00 0.00 H new ATOM 0 H5'' C A 13 -7.310 -8.973 1.206 1.00 0.00 H new ATOM 0 H4' C A 13 -6.466 -8.928 -0.990 1.00 0.00 H new ATOM 0 H3' C A 13 -4.342 -9.430 1.126 1.00 0.00 H new ATOM 0 H2' C A 13 -2.668 -9.602 -0.725 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.732 -10.466 -2.060 1.00 0.00 H new ATOM 0 H1' C A 13 -3.455 -7.366 -2.057 1.00 0.00 H new ATOM 0 H41 C A 13 -0.339 -4.961 3.253 1.00 0.00 H new ATOM 0 H42 C A 13 0.771 -4.868 1.882 1.00 0.00 H new ATOM 0 H5 C A 13 -2.556 -5.992 3.057 1.00 0.00 H new ATOM 0 H6 C A 13 -4.110 -7.110 1.546 1.00 0.00 H new ATOM 416 P C A 14 -5.440 -11.855 1.061 1.00 0.00 P ATOM 417 OP1 C A 14 -6.661 -12.646 0.792 1.00 0.00 O ATOM 418 OP2 C A 14 -5.297 -11.128 2.344 1.00 0.00 O ATOM 419 O5' C A 14 -4.162 -12.825 0.896 1.00 0.00 O ATOM 420 C5' C A 14 -4.023 -13.669 -0.255 1.00 0.00 C ATOM 421 C4' C A 14 -2.621 -13.576 -0.849 1.00 0.00 C ATOM 422 O4' C A 14 -2.322 -12.203 -1.130 1.00 0.00 O ATOM 423 C3' C A 14 -1.500 -14.013 0.081 1.00 0.00 C ATOM 424 O3' C A 14 -1.324 -15.434 0.037 1.00 0.00 O ATOM 425 C2' C A 14 -0.311 -13.292 -0.543 1.00 0.00 C ATOM 426 O2' C A 14 0.128 -13.962 -1.731 1.00 0.00 O ATOM 427 C1' C A 14 -0.930 -11.937 -0.886 1.00 0.00 C ATOM 428 N1 C A 14 -0.821 -10.965 0.224 1.00 0.00 N ATOM 429 C2 C A 14 0.192 -10.019 0.158 1.00 0.00 C ATOM 430 O2 C A 14 0.962 -9.994 -0.801 1.00 0.00 O ATOM 431 N3 C A 14 0.317 -9.124 1.172 1.00 0.00 N ATOM 432 C4 C A 14 -0.521 -9.151 2.213 1.00 0.00 C ATOM 433 N4 C A 14 -0.337 -8.254 3.177 1.00 0.00 N ATOM 434 C5 C A 14 -1.570 -10.117 2.291 1.00 0.00 C ATOM 435 C6 C A 14 -1.685 -10.999 1.282 1.00 0.00 C ATOM 0 H5' C A 14 -4.758 -13.384 -1.008 1.00 0.00 H new ATOM 0 H5'' C A 14 -4.234 -14.702 0.022 1.00 0.00 H new ATOM 0 H4' C A 14 -2.650 -14.234 -1.717 1.00 0.00 H new ATOM 0 H3' C A 14 -1.666 -13.781 1.133 1.00 0.00 H new ATOM 0 H2' C A 14 0.567 -13.238 0.101 1.00 0.00 H new ATOM 0 HO2' C A 14 -0.180 -14.892 -1.715 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.597 -15.692 0.641 1.00 0.00 H new ATOM 0 H1' C A 14 -0.412 -11.498 -1.739 1.00 0.00 H new ATOM 0 H41 C A 14 -0.956 -8.242 3.988 1.00 0.00 H new ATOM 0 H42 C A 14 0.423 -7.577 3.106 1.00 0.00 H new ATOM 0 H5 C A 14 -2.248 -10.139 3.132 1.00 0.00 H new ATOM 0 H6 C A 14 -2.468 -11.742 1.308 1.00 0.00 H new TER 448 C A 14 HETATM 449 CO NCO A 15 4.185 -1.075 2.349 1.00 0.00 CO HETATM 450 N1 NCO A 15 4.900 0.763 2.107 1.00 0.00 N HETATM 451 N2 NCO A 15 3.470 -2.913 2.590 1.00 0.00 N HETATM 452 N3 NCO A 15 6.037 -1.794 2.365 1.00 0.00 N HETATM 453 N4 NCO A 15 2.333 -0.355 2.332 1.00 0.00 N HETATM 454 N5 NCO A 15 4.112 -1.305 0.377 1.00 0.00 N HETATM 455 N6 NCO A 15 4.257 -0.845 4.321 1.00 0.00 N