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 -20:sc= 0.318 USER MOD Single : A 1 G O5' : rot -3:sc= 0.432! USER MOD Single : A 2 G O2' : rot -24:sc= 0.305 USER MOD Single : A 3 U O2' : rot -9:sc= 0.332 USER MOD Single : A 4 U O2' : rot -12:sc= 0.346 USER MOD Single : A 5 C O2' : rot -95:sc= 0.978 USER MOD Single : A 6 A O2' : rot -100:sc= -0.95! USER MOD Single : A 7 G O2' : rot 25:sc= 0.362 USER MOD Single : A 8 A O2' : rot 62:sc= -7.09! USER MOD Single : A 9 A O2' : rot -96:sc= -2.19! USER MOD Single : A 10 G O2' : rot -20:sc= 0.285 USER MOD Single : A 11 A O2' : rot -33:sc= 0.267 USER MOD Single : A 12 A O2' : rot -20:sc= 0.364 USER MOD Single : A 13 C O2' : rot -115:sc= 0.578 USER MOD Single : A 14 C O2' : rot -13:sc= 0.229 USER MOD Single : A 14 C O3' : rot 180:sc= 0.204 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.949 -7.565 -9.397 1.00 0.00 O ATOM 2 C5' G A 1 -6.311 -7.683 -9.815 1.00 0.00 C ATOM 3 C4' G A 1 -7.135 -8.493 -8.818 1.00 0.00 C ATOM 4 O4' G A 1 -6.535 -9.770 -8.565 1.00 0.00 O ATOM 5 C3' G A 1 -7.212 -7.792 -7.470 1.00 0.00 C ATOM 6 O3' G A 1 -8.421 -7.032 -7.421 1.00 0.00 O ATOM 7 C2' G A 1 -7.330 -8.944 -6.491 1.00 0.00 C ATOM 8 O2' G A 1 -8.686 -9.380 -6.349 1.00 0.00 O ATOM 9 C1' G A 1 -6.466 -10.011 -7.150 1.00 0.00 C ATOM 10 N9 G A 1 -5.076 -9.929 -6.664 1.00 0.00 N ATOM 11 C8 G A 1 -3.955 -9.527 -7.311 1.00 0.00 C ATOM 12 N7 G A 1 -2.849 -9.525 -6.646 1.00 0.00 N ATOM 13 C5 G A 1 -3.269 -9.983 -5.393 1.00 0.00 C ATOM 14 C6 G A 1 -2.521 -10.204 -4.205 1.00 0.00 C ATOM 15 O6 G A 1 -1.317 -10.036 -4.019 1.00 0.00 O ATOM 16 N1 G A 1 -3.329 -10.666 -3.172 1.00 0.00 N ATOM 17 C2 G A 1 -4.688 -10.889 -3.266 1.00 0.00 C ATOM 18 N2 G A 1 -5.290 -11.336 -2.163 1.00 0.00 N ATOM 19 N3 G A 1 -5.399 -10.683 -4.378 1.00 0.00 N ATOM 20 C4 G A 1 -4.633 -10.232 -5.398 1.00 0.00 C ATOM 0 H5' G A 1 -6.352 -8.160 -10.794 1.00 0.00 H new ATOM 0 H5'' G A 1 -6.746 -6.690 -9.926 1.00 0.00 H new ATOM 0 H4' G A 1 -8.124 -8.603 -9.264 1.00 0.00 H new ATOM 0 H3' G A 1 -6.370 -7.128 -7.271 1.00 0.00 H new ATOM 0 H2' G A 1 -7.017 -8.690 -5.478 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.291 -8.670 -6.649 1.00 0.00 H new ATOM 0 HO5' G A 1 -4.837 -7.994 -8.523 1.00 0.00 H new ATOM 0 H1' G A 1 -6.821 -11.013 -6.909 1.00 0.00 H new ATOM 0 H8 G A 1 -3.986 -9.219 -8.346 1.00 0.00 H new ATOM 0 H1 G A 1 -2.883 -10.855 -2.275 1.00 0.00 H new ATOM 0 H21 G A 1 -6.293 -11.520 -2.168 1.00 0.00 H new ATOM 0 H22 G A 1 -4.747 -11.494 -1.314 1.00 0.00 H new ATOM 33 P G A 2 -8.472 -5.632 -6.627 1.00 0.00 P ATOM 34 OP1 G A 2 -9.719 -4.932 -7.004 1.00 0.00 O ATOM 35 OP2 G A 2 -7.166 -4.957 -6.794 1.00 0.00 O ATOM 36 O5' G A 2 -8.602 -6.104 -5.094 1.00 0.00 O ATOM 37 C5' G A 2 -9.887 -6.352 -4.521 1.00 0.00 C ATOM 38 C4' G A 2 -9.773 -6.891 -3.099 1.00 0.00 C ATOM 39 O4' G A 2 -8.756 -7.890 -2.997 1.00 0.00 O ATOM 40 C3' G A 2 -9.360 -5.799 -2.131 1.00 0.00 C ATOM 41 O3' G A 2 -10.541 -5.185 -1.606 1.00 0.00 O ATOM 42 C2' G A 2 -8.685 -6.575 -1.017 1.00 0.00 C ATOM 43 O2' G A 2 -9.634 -7.058 -0.060 1.00 0.00 O ATOM 44 C1' G A 2 -8.021 -7.721 -1.773 1.00 0.00 C ATOM 45 N9 G A 2 -6.604 -7.415 -2.040 1.00 0.00 N ATOM 46 C8 G A 2 -6.002 -7.042 -3.196 1.00 0.00 C ATOM 47 N7 G A 2 -4.731 -6.812 -3.160 1.00 0.00 N ATOM 48 C5 G A 2 -4.435 -7.057 -1.816 1.00 0.00 C ATOM 49 C6 G A 2 -3.195 -6.978 -1.126 1.00 0.00 C ATOM 50 O6 G A 2 -2.092 -6.670 -1.573 1.00 0.00 O ATOM 51 N1 G A 2 -3.337 -7.304 0.217 1.00 0.00 N ATOM 52 C2 G A 2 -4.522 -7.664 0.827 1.00 0.00 C ATOM 53 N2 G A 2 -4.452 -7.943 2.130 1.00 0.00 N ATOM 54 N3 G A 2 -5.691 -7.741 0.187 1.00 0.00 N ATOM 55 C4 G A 2 -5.578 -7.427 -1.123 1.00 0.00 C ATOM 0 H5' G A 2 -10.430 -7.067 -5.139 1.00 0.00 H new ATOM 0 H5'' G A 2 -10.468 -5.430 -4.516 1.00 0.00 H new ATOM 0 H4' G A 2 -10.756 -7.296 -2.858 1.00 0.00 H new ATOM 0 H3' G A 2 -8.733 -5.027 -2.577 1.00 0.00 H new ATOM 0 H2' G A 2 -7.986 -5.976 -0.433 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.441 -6.503 -0.091 1.00 0.00 H new ATOM 0 H1' G A 2 -8.037 -8.640 -1.187 1.00 0.00 H new ATOM 0 H8 G A 2 -6.564 -6.941 -4.113 1.00 0.00 H new ATOM 0 H1 G A 2 -2.499 -7.275 0.798 1.00 0.00 H new ATOM 0 H21 G A 2 -5.293 -8.216 2.639 1.00 0.00 H new ATOM 0 H22 G A 2 -3.558 -7.884 2.617 1.00 0.00 H new ATOM 67 P U A 3 -10.555 -3.613 -1.263 1.00 0.00 P ATOM 68 OP1 U A 3 -11.946 -3.221 -0.943 1.00 0.00 O ATOM 69 OP2 U A 3 -9.813 -2.899 -2.326 1.00 0.00 O ATOM 70 O5' U A 3 -9.688 -3.540 0.091 1.00 0.00 O ATOM 71 C5' U A 3 -10.324 -3.669 1.364 1.00 0.00 C ATOM 72 C4' U A 3 -9.309 -3.709 2.502 1.00 0.00 C ATOM 73 O4' U A 3 -8.254 -4.634 2.236 1.00 0.00 O ATOM 74 C3' U A 3 -8.618 -2.371 2.678 1.00 0.00 C ATOM 75 O3' U A 3 -9.398 -1.565 3.564 1.00 0.00 O ATOM 76 C2' U A 3 -7.332 -2.760 3.383 1.00 0.00 C ATOM 77 O2' U A 3 -7.517 -2.847 4.800 1.00 0.00 O ATOM 78 C1' U A 3 -7.019 -4.126 2.774 1.00 0.00 C ATOM 79 N1 U A 3 -5.990 -4.001 1.726 1.00 0.00 N ATOM 80 C2 U A 3 -4.670 -3.966 2.133 1.00 0.00 C ATOM 81 O2 U A 3 -4.350 -4.052 3.317 1.00 0.00 O ATOM 82 N3 U A 3 -3.727 -3.826 1.132 1.00 0.00 N ATOM 83 C4 U A 3 -3.987 -3.722 -0.224 1.00 0.00 C ATOM 84 O4 U A 3 -3.068 -3.600 -1.030 1.00 0.00 O ATOM 85 C5 U A 3 -5.392 -3.771 -0.560 1.00 0.00 C ATOM 86 C6 U A 3 -6.334 -3.906 0.405 1.00 0.00 C ATOM 0 H5' U A 3 -10.924 -4.579 1.380 1.00 0.00 H new ATOM 0 H5'' U A 3 -11.007 -2.833 1.515 1.00 0.00 H new ATOM 0 H4' U A 3 -9.882 -3.991 3.385 1.00 0.00 H new ATOM 0 H3' U A 3 -8.470 -1.820 1.749 1.00 0.00 H new ATOM 0 H2' U A 3 -6.530 -2.034 3.251 1.00 0.00 H new ATOM 0 HO2' U A 3 -8.398 -2.490 5.037 1.00 0.00 H new ATOM 0 H1' U A 3 -6.621 -4.810 3.524 1.00 0.00 H new ATOM 0 H3 U A 3 -2.749 -3.797 1.419 1.00 0.00 H new ATOM 0 H5 U A 3 -5.695 -3.699 -1.594 1.00 0.00 H new ATOM 0 H6 U A 3 -7.377 -3.939 0.126 1.00 0.00 H new ATOM 97 P U A 4 -9.224 0.036 3.576 1.00 0.00 P ATOM 98 OP1 U A 4 -10.238 0.603 4.494 1.00 0.00 O ATOM 99 OP2 U A 4 -9.153 0.506 2.174 1.00 0.00 O ATOM 100 O5' U A 4 -7.773 0.230 4.247 1.00 0.00 O ATOM 101 C5' U A 4 -7.639 0.283 5.669 1.00 0.00 C ATOM 102 C4' U A 4 -6.207 0.598 6.093 1.00 0.00 C ATOM 103 O4' U A 4 -5.269 -0.289 5.489 1.00 0.00 O ATOM 104 C3' U A 4 -5.783 1.978 5.632 1.00 0.00 C ATOM 105 O3' U A 4 -6.162 2.932 6.626 1.00 0.00 O ATOM 106 C2' U A 4 -4.267 1.872 5.622 1.00 0.00 C ATOM 107 O2' U A 4 -3.709 2.211 6.896 1.00 0.00 O ATOM 108 C1' U A 4 -4.025 0.401 5.281 1.00 0.00 C ATOM 109 N1 U A 4 -3.561 0.262 3.887 1.00 0.00 N ATOM 110 C2 U A 4 -2.208 0.419 3.652 1.00 0.00 C ATOM 111 O2 U A 4 -1.411 0.655 4.557 1.00 0.00 O ATOM 112 N3 U A 4 -1.802 0.296 2.335 1.00 0.00 N ATOM 113 C4 U A 4 -2.620 0.034 1.250 1.00 0.00 C ATOM 114 O4 U A 4 -2.150 -0.055 0.118 1.00 0.00 O ATOM 115 C5 U A 4 -4.018 -0.117 1.589 1.00 0.00 C ATOM 116 C6 U A 4 -4.439 -0.001 2.872 1.00 0.00 C ATOM 0 H5' U A 4 -7.943 -0.671 6.098 1.00 0.00 H new ATOM 0 H5'' U A 4 -8.312 1.042 6.069 1.00 0.00 H new ATOM 0 H4' U A 4 -6.207 0.510 7.179 1.00 0.00 H new ATOM 0 H3' U A 4 -6.217 2.278 4.678 1.00 0.00 H new ATOM 0 H2' U A 4 -3.797 2.558 4.917 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.399 2.624 7.456 1.00 0.00 H new ATOM 0 H1' U A 4 -3.247 -0.025 5.914 1.00 0.00 H new ATOM 0 H3 U A 4 -0.806 0.409 2.146 1.00 0.00 H new ATOM 0 H5 U A 4 -4.736 -0.325 0.809 1.00 0.00 H new ATOM 0 H6 U A 4 -5.489 -0.119 3.097 1.00 0.00 H new ATOM 127 P C A 5 -6.410 4.470 6.221 1.00 0.00 P ATOM 128 OP1 C A 5 -6.886 5.194 7.421 1.00 0.00 O ATOM 129 OP2 C A 5 -7.210 4.499 4.976 1.00 0.00 O ATOM 130 O5' C A 5 -4.925 4.991 5.877 1.00 0.00 O ATOM 131 C5' C A 5 -4.102 5.560 6.898 1.00 0.00 C ATOM 132 C4' C A 5 -2.712 5.913 6.377 1.00 0.00 C ATOM 133 O4' C A 5 -2.135 4.837 5.644 1.00 0.00 O ATOM 134 C3' C A 5 -2.765 7.063 5.392 1.00 0.00 C ATOM 135 O3' C A 5 -2.653 8.288 6.120 1.00 0.00 O ATOM 136 C2' C A 5 -1.496 6.875 4.572 1.00 0.00 C ATOM 137 O2' C A 5 -0.403 7.616 5.125 1.00 0.00 O ATOM 138 C1' C A 5 -1.241 5.365 4.652 1.00 0.00 C ATOM 139 N1 C A 5 -1.464 4.727 3.342 1.00 0.00 N ATOM 140 C2 C A 5 -0.381 4.643 2.483 1.00 0.00 C ATOM 141 O2 C A 5 0.713 5.085 2.825 1.00 0.00 O ATOM 142 N3 C A 5 -0.565 4.062 1.266 1.00 0.00 N ATOM 143 C4 C A 5 -1.764 3.586 0.908 1.00 0.00 C ATOM 144 N4 C A 5 -1.913 3.025 -0.293 1.00 0.00 N ATOM 145 C5 C A 5 -2.885 3.670 1.791 1.00 0.00 C ATOM 146 C6 C A 5 -2.691 4.247 2.993 1.00 0.00 C ATOM 0 H5' C A 5 -4.012 4.856 7.726 1.00 0.00 H new ATOM 0 H5'' C A 5 -4.580 6.456 7.292 1.00 0.00 H new ATOM 0 H4' C A 5 -2.129 6.159 7.265 1.00 0.00 H new ATOM 0 H3' C A 5 -3.676 7.088 4.794 1.00 0.00 H new ATOM 0 H2' C A 5 -1.597 7.235 3.548 1.00 0.00 H new ATOM 0 HO2' C A 5 -0.332 8.482 4.672 1.00 0.00 H new ATOM 0 H1' C A 5 -0.206 5.162 4.927 1.00 0.00 H new ATOM 0 H41 C A 5 -2.822 2.659 -0.576 1.00 0.00 H new ATOM 0 H42 C A 5 -1.118 2.962 -0.929 1.00 0.00 H new ATOM 0 H5 C A 5 -3.853 3.285 1.505 1.00 0.00 H new ATOM 0 H6 C A 5 -3.515 4.330 3.686 1.00 0.00 H new ATOM 158 P A A 6 -2.662 9.699 5.347 1.00 0.00 P ATOM 159 OP1 A A 6 -2.009 10.707 6.213 1.00 0.00 O ATOM 160 OP2 A A 6 -4.031 9.941 4.837 1.00 0.00 O ATOM 161 O5' A A 6 -1.700 9.417 4.087 1.00 0.00 O ATOM 162 C5' A A 6 -2.098 9.811 2.772 1.00 0.00 C ATOM 163 C4' A A 6 -1.068 9.399 1.725 1.00 0.00 C ATOM 164 O4' A A 6 -1.203 8.014 1.386 1.00 0.00 O ATOM 165 C3' A A 6 -1.266 10.188 0.426 1.00 0.00 C ATOM 166 O3' A A 6 -0.010 10.762 0.055 1.00 0.00 O ATOM 167 C2' A A 6 -1.634 9.139 -0.616 1.00 0.00 C ATOM 168 O2' A A 6 -1.050 9.430 -1.890 1.00 0.00 O ATOM 169 C1' A A 6 -1.071 7.863 -0.024 1.00 0.00 C ATOM 170 N9 A A 6 -1.812 6.690 -0.517 1.00 0.00 N ATOM 171 C8 A A 6 -2.820 5.991 0.060 1.00 0.00 C ATOM 172 N7 A A 6 -3.317 5.002 -0.605 1.00 0.00 N ATOM 173 C5 A A 6 -2.548 5.036 -1.774 1.00 0.00 C ATOM 174 C6 A A 6 -2.546 4.250 -2.931 1.00 0.00 C ATOM 175 N6 A A 6 -3.377 3.224 -3.118 1.00 0.00 N ATOM 176 N1 A A 6 -1.656 4.561 -3.891 1.00 0.00 N ATOM 177 C2 A A 6 -0.815 5.583 -3.724 1.00 0.00 C ATOM 178 N3 A A 6 -0.730 6.391 -2.672 1.00 0.00 N ATOM 179 C4 A A 6 -1.631 6.059 -1.727 1.00 0.00 C ATOM 0 H5' A A 6 -2.236 10.892 2.742 1.00 0.00 H new ATOM 0 H5'' A A 6 -3.061 9.360 2.533 1.00 0.00 H new ATOM 0 H4' A A 6 -0.088 9.598 2.159 1.00 0.00 H new ATOM 0 H3' A A 6 -2.016 10.973 0.520 1.00 0.00 H new ATOM 0 H2' A A 6 -2.705 9.087 -0.810 1.00 0.00 H new ATOM 0 HO2' A A 6 -1.719 9.854 -2.467 1.00 0.00 H new ATOM 0 H1' A A 6 -0.031 7.700 -0.308 1.00 0.00 H new ATOM 0 H8 A A 6 -3.193 6.252 1.039 1.00 0.00 H new ATOM 0 H61 A A 6 -3.333 2.683 -3.982 1.00 0.00 H new ATOM 0 H62 A A 6 -4.056 2.980 -2.397 1.00 0.00 H new ATOM 0 H2 A A 6 -0.127 5.775 -4.534 1.00 0.00 H new ATOM 191 P G A 7 0.075 12.293 -0.441 1.00 0.00 P ATOM 192 OP1 G A 7 1.490 12.722 -0.383 1.00 0.00 O ATOM 193 OP2 G A 7 -0.961 13.070 0.276 1.00 0.00 O ATOM 194 O5' G A 7 -0.356 12.188 -1.990 1.00 0.00 O ATOM 195 C5' G A 7 0.637 12.138 -3.016 1.00 0.00 C ATOM 196 C4' G A 7 0.130 11.412 -4.259 1.00 0.00 C ATOM 197 O4' G A 7 -0.566 10.215 -3.906 1.00 0.00 O ATOM 198 C3' G A 7 -0.867 12.279 -5.044 1.00 0.00 C ATOM 199 O3' G A 7 -0.432 12.329 -6.406 1.00 0.00 O ATOM 200 C2' G A 7 -2.175 11.492 -5.003 1.00 0.00 C ATOM 201 O2' G A 7 -2.896 11.605 -6.235 1.00 0.00 O ATOM 202 C1' G A 7 -1.684 10.075 -4.771 1.00 0.00 C ATOM 203 N9 G A 7 -2.728 9.214 -4.180 1.00 0.00 N ATOM 204 C8 G A 7 -3.114 7.970 -4.549 1.00 0.00 C ATOM 205 N7 G A 7 -4.067 7.414 -3.882 1.00 0.00 N ATOM 206 C5 G A 7 -4.370 8.400 -2.940 1.00 0.00 C ATOM 207 C6 G A 7 -5.343 8.399 -1.905 1.00 0.00 C ATOM 208 O6 G A 7 -6.141 7.511 -1.612 1.00 0.00 O ATOM 209 N1 G A 7 -5.322 9.584 -1.182 1.00 0.00 N ATOM 210 C2 G A 7 -4.472 10.645 -1.421 1.00 0.00 C ATOM 211 N2 G A 7 -4.606 11.698 -0.615 1.00 0.00 N ATOM 212 N3 G A 7 -3.553 10.655 -2.392 1.00 0.00 N ATOM 213 C4 G A 7 -3.554 9.509 -3.112 1.00 0.00 C ATOM 0 H5' G A 7 1.526 11.634 -2.637 1.00 0.00 H new ATOM 0 H5'' G A 7 0.935 13.152 -3.283 1.00 0.00 H new ATOM 0 H4' G A 7 1.010 11.191 -4.862 1.00 0.00 H new ATOM 0 H3' G A 7 -0.960 13.288 -4.644 1.00 0.00 H new ATOM 0 H2' G A 7 -2.874 11.843 -4.244 1.00 0.00 H new ATOM 0 HO2' G A 7 -2.271 11.809 -6.962 1.00 0.00 H new ATOM 0 H1' G A 7 -1.418 9.584 -5.707 1.00 0.00 H new ATOM 0 H8 G A 7 -2.639 7.460 -5.375 1.00 0.00 H new ATOM 0 H1 G A 7 -5.987 9.678 -0.414 1.00 0.00 H new ATOM 0 H21 G A 7 -4.008 12.515 -0.739 1.00 0.00 H new ATOM 0 H22 G A 7 -5.307 11.687 0.126 1.00 0.00 H new ATOM 225 P A A 8 -0.334 13.731 -7.192 1.00 0.00 P ATOM 226 OP1 A A 8 0.432 14.679 -6.352 1.00 0.00 O ATOM 227 OP2 A A 8 -1.689 14.092 -7.667 1.00 0.00 O ATOM 228 O5' A A 8 0.565 13.351 -8.472 1.00 0.00 O ATOM 229 C5' A A 8 0.024 12.561 -9.537 1.00 0.00 C ATOM 230 C4' A A 8 0.913 11.358 -9.853 1.00 0.00 C ATOM 231 O4' A A 8 2.291 11.642 -9.556 1.00 0.00 O ATOM 232 C3' A A 8 0.542 10.148 -8.992 1.00 0.00 C ATOM 233 O3' A A 8 0.845 8.963 -9.735 1.00 0.00 O ATOM 234 C2' A A 8 1.523 10.247 -7.845 1.00 0.00 C ATOM 235 O2' A A 8 1.716 8.988 -7.201 1.00 0.00 O ATOM 236 C1' A A 8 2.768 10.706 -8.583 1.00 0.00 C ATOM 237 N9 A A 8 3.769 11.319 -7.681 1.00 0.00 N ATOM 238 C8 A A 8 3.617 11.935 -6.477 1.00 0.00 C ATOM 239 N7 A A 8 4.683 12.376 -5.897 1.00 0.00 N ATOM 240 C5 A A 8 5.675 12.018 -6.815 1.00 0.00 C ATOM 241 C6 A A 8 7.064 12.188 -6.824 1.00 0.00 C ATOM 242 N6 A A 8 7.731 12.791 -5.841 1.00 0.00 N ATOM 243 N1 A A 8 7.739 11.714 -7.887 1.00 0.00 N ATOM 244 C2 A A 8 7.090 11.107 -8.883 1.00 0.00 C ATOM 245 N3 A A 8 5.782 10.893 -8.975 1.00 0.00 N ATOM 246 C4 A A 8 5.127 11.376 -7.901 1.00 0.00 C ATOM 0 H5' A A 8 -0.085 13.178 -10.429 1.00 0.00 H new ATOM 0 H5'' A A 8 -0.973 12.216 -9.264 1.00 0.00 H new ATOM 0 H4' A A 8 0.767 11.147 -10.912 1.00 0.00 H new ATOM 0 H3' A A 8 -0.504 10.122 -8.685 1.00 0.00 H new ATOM 0 H2' A A 8 1.210 10.906 -7.035 1.00 0.00 H new ATOM 0 HO2' A A 8 2.090 8.347 -7.841 1.00 0.00 H new ATOM 0 H1' A A 8 3.291 9.866 -9.039 1.00 0.00 H new ATOM 0 H8 A A 8 2.643 12.050 -6.025 1.00 0.00 H new ATOM 0 H61 A A 8 8.745 12.889 -5.898 1.00 0.00 H new ATOM 0 H62 A A 8 7.228 13.155 -5.032 1.00 0.00 H new ATOM 0 H2 A A 8 7.694 10.751 -9.704 1.00 0.00 H new ATOM 258 P A A 9 -0.092 7.657 -9.620 1.00 0.00 P ATOM 259 OP1 A A 9 -0.608 7.339 -10.969 1.00 0.00 O ATOM 260 OP2 A A 9 -1.035 7.861 -8.498 1.00 0.00 O ATOM 261 O5' A A 9 0.954 6.507 -9.197 1.00 0.00 O ATOM 262 C5' A A 9 2.170 6.320 -9.928 1.00 0.00 C ATOM 263 C4' A A 9 3.394 6.578 -9.053 1.00 0.00 C ATOM 264 O4' A A 9 3.087 7.526 -8.039 1.00 0.00 O ATOM 265 C3' A A 9 3.839 5.302 -8.342 1.00 0.00 C ATOM 266 O3' A A 9 5.129 4.943 -8.842 1.00 0.00 O ATOM 267 C2' A A 9 4.005 5.680 -6.870 1.00 0.00 C ATOM 268 O2' A A 9 5.324 5.374 -6.409 1.00 0.00 O ATOM 269 C1' A A 9 3.745 7.179 -6.824 1.00 0.00 C ATOM 270 N9 A A 9 2.910 7.521 -5.657 1.00 0.00 N ATOM 271 C8 A A 9 1.587 7.315 -5.449 1.00 0.00 C ATOM 272 N7 A A 9 1.094 7.700 -4.320 1.00 0.00 N ATOM 273 C5 A A 9 2.222 8.232 -3.689 1.00 0.00 C ATOM 274 C6 A A 9 2.415 8.825 -2.438 1.00 0.00 C ATOM 275 N6 A A 9 1.436 8.992 -1.553 1.00 0.00 N ATOM 276 N1 A A 9 3.656 9.238 -2.135 1.00 0.00 N ATOM 277 C2 A A 9 4.650 9.078 -3.009 1.00 0.00 C ATOM 278 N3 A A 9 4.580 8.531 -4.217 1.00 0.00 N ATOM 279 C4 A A 9 3.329 8.126 -4.497 1.00 0.00 C ATOM 0 H5' A A 9 2.187 6.992 -10.786 1.00 0.00 H new ATOM 0 H5'' A A 9 2.208 5.303 -10.318 1.00 0.00 H new ATOM 0 H4' A A 9 4.182 6.945 -9.710 1.00 0.00 H new ATOM 0 H3' A A 9 3.132 4.485 -8.487 1.00 0.00 H new ATOM 0 H2' A A 9 3.324 5.126 -6.224 1.00 0.00 H new ATOM 0 HO2' A A 9 5.321 4.501 -5.964 1.00 0.00 H new ATOM 0 H1' A A 9 4.678 7.734 -6.724 1.00 0.00 H new ATOM 0 H8 A A 9 0.968 6.846 -6.200 1.00 0.00 H new ATOM 0 H61 A A 9 1.631 9.431 -0.653 1.00 0.00 H new ATOM 0 H62 A A 9 0.490 8.681 -1.774 1.00 0.00 H new ATOM 0 H2 A A 9 5.622 9.433 -2.700 1.00 0.00 H new ATOM 291 P G A 10 5.660 3.428 -8.708 1.00 0.00 P ATOM 292 OP1 G A 10 6.874 3.287 -9.543 1.00 0.00 O ATOM 293 OP2 G A 10 4.513 2.516 -8.913 1.00 0.00 O ATOM 294 O5' G A 10 6.100 3.346 -7.161 1.00 0.00 O ATOM 295 C5' G A 10 7.474 3.494 -6.790 1.00 0.00 C ATOM 296 C4' G A 10 7.634 3.754 -5.293 1.00 0.00 C ATOM 297 O4' G A 10 6.675 4.704 -4.814 1.00 0.00 O ATOM 298 C3' G A 10 7.384 2.494 -4.485 1.00 0.00 C ATOM 299 O3' G A 10 8.622 1.799 -4.324 1.00 0.00 O ATOM 300 C2' G A 10 6.965 3.050 -3.139 1.00 0.00 C ATOM 301 O2' G A 10 8.099 3.394 -2.334 1.00 0.00 O ATOM 302 C1' G A 10 6.166 4.283 -3.536 1.00 0.00 C ATOM 303 N9 G A 10 4.727 3.966 -3.609 1.00 0.00 N ATOM 304 C8 G A 10 4.008 3.433 -4.627 1.00 0.00 C ATOM 305 N7 G A 10 2.752 3.219 -4.425 1.00 0.00 N ATOM 306 C5 G A 10 2.595 3.661 -3.107 1.00 0.00 C ATOM 307 C6 G A 10 1.434 3.692 -2.288 1.00 0.00 C ATOM 308 O6 G A 10 0.294 3.327 -2.567 1.00 0.00 O ATOM 309 N1 G A 10 1.712 4.213 -1.030 1.00 0.00 N ATOM 310 C2 G A 10 2.950 4.651 -0.606 1.00 0.00 C ATOM 311 N2 G A 10 3.015 5.119 0.641 1.00 0.00 N ATOM 312 N3 G A 10 4.047 4.626 -1.369 1.00 0.00 N ATOM 313 C4 G A 10 3.802 4.122 -2.601 1.00 0.00 C ATOM 0 H5' G A 10 7.915 4.318 -7.351 1.00 0.00 H new ATOM 0 H5'' G A 10 8.023 2.593 -7.063 1.00 0.00 H new ATOM 0 H4' G A 10 8.653 4.120 -5.170 1.00 0.00 H new ATOM 0 H3' G A 10 6.661 1.813 -4.934 1.00 0.00 H new ATOM 0 H2' G A 10 6.402 2.342 -2.531 1.00 0.00 H new ATOM 0 HO2' G A 10 8.892 2.926 -2.669 1.00 0.00 H new ATOM 0 H1' G A 10 6.271 5.080 -2.800 1.00 0.00 H new ATOM 0 H8 G A 10 4.470 3.196 -5.574 1.00 0.00 H new ATOM 0 H1 G A 10 0.939 4.277 -0.367 1.00 0.00 H new ATOM 0 H21 G A 10 3.902 5.458 1.013 1.00 0.00 H new ATOM 0 H22 G A 10 2.177 5.138 1.223 1.00 0.00 H new ATOM 325 P A A 11 8.631 0.241 -3.920 1.00 0.00 P ATOM 326 OP1 A A 11 10.029 -0.245 -3.975 1.00 0.00 O ATOM 327 OP2 A A 11 7.579 -0.447 -4.702 1.00 0.00 O ATOM 328 O5' A A 11 8.171 0.276 -2.377 1.00 0.00 O ATOM 329 C5' A A 11 9.141 0.438 -1.342 1.00 0.00 C ATOM 330 C4' A A 11 8.492 0.555 0.036 1.00 0.00 C ATOM 331 O4' A A 11 7.397 1.474 0.036 1.00 0.00 O ATOM 332 C3' A A 11 7.884 -0.762 0.474 1.00 0.00 C ATOM 333 O3' A A 11 8.890 -1.549 1.115 1.00 0.00 O ATOM 334 C2' A A 11 6.884 -0.313 1.519 1.00 0.00 C ATOM 335 O2' A A 11 7.512 -0.101 2.789 1.00 0.00 O ATOM 336 C1' A A 11 6.367 0.996 0.924 1.00 0.00 C ATOM 337 N9 A A 11 5.101 0.767 0.203 1.00 0.00 N ATOM 338 C8 A A 11 4.885 0.503 -1.109 1.00 0.00 C ATOM 339 N7 A A 11 3.667 0.305 -1.485 1.00 0.00 N ATOM 340 C5 A A 11 2.972 0.454 -0.282 1.00 0.00 C ATOM 341 C6 A A 11 1.615 0.370 0.046 1.00 0.00 C ATOM 342 N6 A A 11 0.663 0.103 -0.849 1.00 0.00 N ATOM 343 N1 A A 11 1.273 0.572 1.332 1.00 0.00 N ATOM 344 C2 A A 11 2.209 0.840 2.244 1.00 0.00 C ATOM 345 N3 A A 11 3.521 0.943 2.044 1.00 0.00 N ATOM 346 C4 A A 11 3.837 0.736 0.750 1.00 0.00 C ATOM 0 H5' A A 11 9.737 1.329 -1.539 1.00 0.00 H new ATOM 0 H5'' A A 11 9.825 -0.411 -1.350 1.00 0.00 H new ATOM 0 H4' A A 11 9.294 0.882 0.698 1.00 0.00 H new ATOM 0 H3' A A 11 7.458 -1.350 -0.339 1.00 0.00 H new ATOM 0 H2' A A 11 6.100 -1.043 1.718 1.00 0.00 H new ATOM 0 HO2' A A 11 8.251 -0.736 2.899 1.00 0.00 H new ATOM 0 H1' A A 11 6.156 1.733 1.699 1.00 0.00 H new ATOM 0 H8 A A 11 5.702 0.460 -1.813 1.00 0.00 H new ATOM 0 H61 A A 11 -0.313 0.053 -0.556 1.00 0.00 H new ATOM 0 H62 A A 11 0.911 -0.051 -1.826 1.00 0.00 H new ATOM 0 H2 A A 11 1.864 0.990 3.256 1.00 0.00 H new ATOM 358 P A A 12 8.793 -3.156 1.095 1.00 0.00 P ATOM 359 OP1 A A 12 9.999 -3.701 1.759 1.00 0.00 O ATOM 360 OP2 A A 12 8.452 -3.582 -0.280 1.00 0.00 O ATOM 361 O5' A A 12 7.522 -3.445 2.043 1.00 0.00 O ATOM 362 C5' A A 12 7.691 -3.564 3.457 1.00 0.00 C ATOM 363 C4' A A 12 6.356 -3.529 4.196 1.00 0.00 C ATOM 364 O4' A A 12 5.453 -2.586 3.623 1.00 0.00 O ATOM 365 C3' A A 12 5.628 -4.854 4.092 1.00 0.00 C ATOM 366 O3' A A 12 6.086 -5.710 5.142 1.00 0.00 O ATOM 367 C2' A A 12 4.188 -4.463 4.383 1.00 0.00 C ATOM 368 O2' A A 12 3.912 -4.498 5.787 1.00 0.00 O ATOM 369 C1' A A 12 4.103 -3.036 3.835 1.00 0.00 C ATOM 370 N9 A A 12 3.322 -3.008 2.583 1.00 0.00 N ATOM 371 C8 A A 12 3.736 -2.851 1.302 1.00 0.00 C ATOM 372 N7 A A 12 2.836 -2.870 0.376 1.00 0.00 N ATOM 373 C5 A A 12 1.669 -3.066 1.123 1.00 0.00 C ATOM 374 C6 A A 12 0.321 -3.186 0.762 1.00 0.00 C ATOM 375 N6 A A 12 -0.106 -3.124 -0.499 1.00 0.00 N ATOM 376 N1 A A 12 -0.571 -3.372 1.753 1.00 0.00 N ATOM 377 C2 A A 12 -0.165 -3.436 3.023 1.00 0.00 C ATOM 378 N3 A A 12 1.081 -3.335 3.474 1.00 0.00 N ATOM 379 C4 A A 12 1.957 -3.150 2.465 1.00 0.00 C ATOM 0 H5' A A 12 8.326 -2.754 3.816 1.00 0.00 H new ATOM 0 H5'' A A 12 8.207 -4.497 3.683 1.00 0.00 H new ATOM 0 H4' A A 12 6.613 -3.275 5.224 1.00 0.00 H new ATOM 0 H3' A A 12 5.768 -5.365 3.139 1.00 0.00 H new ATOM 0 H2' A A 12 3.461 -5.140 3.934 1.00 0.00 H new ATOM 0 HO2' A A 12 4.578 -5.058 6.238 1.00 0.00 H new ATOM 0 H1' A A 12 3.592 -2.376 4.536 1.00 0.00 H new ATOM 0 H8 A A 12 4.781 -2.715 1.064 1.00 0.00 H new ATOM 0 H61 A A 12 -1.100 -3.218 -0.706 1.00 0.00 H new ATOM 0 H62 A A 12 0.562 -2.983 -1.257 1.00 0.00 H new ATOM 0 H2 A A 12 -0.934 -3.586 3.766 1.00 0.00 H new ATOM 391 P C A 13 6.118 -7.306 4.937 1.00 0.00 P ATOM 392 OP1 C A 13 6.741 -7.914 6.133 1.00 0.00 O ATOM 393 OP2 C A 13 6.671 -7.587 3.592 1.00 0.00 O ATOM 394 O5' C A 13 4.554 -7.691 4.931 1.00 0.00 O ATOM 395 C5' C A 13 3.882 -8.002 6.154 1.00 0.00 C ATOM 396 C4' C A 13 2.384 -8.213 5.941 1.00 0.00 C ATOM 397 O4' C A 13 1.809 -7.170 5.158 1.00 0.00 O ATOM 398 C3' C A 13 2.111 -9.480 5.156 1.00 0.00 C ATOM 399 O3' C A 13 2.000 -10.570 6.074 1.00 0.00 O ATOM 400 C2' C A 13 0.740 -9.218 4.549 1.00 0.00 C ATOM 401 O2' C A 13 -0.309 -9.675 5.411 1.00 0.00 O ATOM 402 C1' C A 13 0.710 -7.694 4.394 1.00 0.00 C ATOM 403 N1 C A 13 0.820 -7.315 2.973 1.00 0.00 N ATOM 404 C2 C A 13 -0.351 -7.278 2.234 1.00 0.00 C ATOM 405 O2 C A 13 -1.425 -7.546 2.767 1.00 0.00 O ATOM 406 N3 C A 13 -0.272 -6.939 0.918 1.00 0.00 N ATOM 407 C4 C A 13 0.905 -6.649 0.351 1.00 0.00 C ATOM 408 N4 C A 13 0.943 -6.323 -0.941 1.00 0.00 N ATOM 409 C5 C A 13 2.116 -6.686 1.111 1.00 0.00 C ATOM 410 C6 C A 13 2.028 -7.022 2.413 1.00 0.00 C ATOM 0 H5' C A 13 4.037 -7.194 6.869 1.00 0.00 H new ATOM 0 H5'' C A 13 4.317 -8.901 6.589 1.00 0.00 H new ATOM 0 H4' C A 13 1.956 -8.249 6.943 1.00 0.00 H new ATOM 0 H3' C A 13 2.881 -9.717 4.422 1.00 0.00 H new ATOM 0 H2' C A 13 0.584 -9.745 3.608 1.00 0.00 H new ATOM 0 HO2' C A 13 -0.793 -10.408 4.977 1.00 0.00 H new ATOM 0 H1' C A 13 -0.233 -7.284 4.757 1.00 0.00 H new ATOM 0 H41 C A 13 1.834 -6.100 -1.385 1.00 0.00 H new ATOM 0 H42 C A 13 0.081 -6.297 -1.486 1.00 0.00 H new ATOM 0 H5 C A 13 3.068 -6.453 0.657 1.00 0.00 H new ATOM 0 H6 C A 13 2.922 -7.060 3.018 1.00 0.00 H new ATOM 422 P C A 14 2.363 -12.066 5.606 1.00 0.00 P ATOM 423 OP1 C A 14 2.430 -12.925 6.810 1.00 0.00 O ATOM 424 OP2 C A 14 3.518 -11.997 4.684 1.00 0.00 O ATOM 425 O5' C A 14 1.064 -12.492 4.756 1.00 0.00 O ATOM 426 C5' C A 14 -0.084 -13.034 5.413 1.00 0.00 C ATOM 427 C4' C A 14 -1.310 -13.027 4.504 1.00 0.00 C ATOM 428 O4' C A 14 -1.384 -11.833 3.734 1.00 0.00 O ATOM 429 C3' C A 14 -1.245 -14.153 3.489 1.00 0.00 C ATOM 430 O3' C A 14 -1.738 -15.382 4.035 1.00 0.00 O ATOM 431 C2' C A 14 -2.145 -13.636 2.376 1.00 0.00 C ATOM 432 O2' C A 14 -3.504 -14.044 2.573 1.00 0.00 O ATOM 433 C1' C A 14 -2.001 -12.115 2.471 1.00 0.00 C ATOM 434 N1 C A 14 -1.189 -11.590 1.358 1.00 0.00 N ATOM 435 C2 C A 14 -1.839 -11.330 0.162 1.00 0.00 C ATOM 436 O2 C A 14 -3.047 -11.536 0.060 1.00 0.00 O ATOM 437 N3 C A 14 -1.107 -10.843 -0.877 1.00 0.00 N ATOM 438 C4 C A 14 0.207 -10.624 -0.750 1.00 0.00 C ATOM 439 N4 C A 14 0.892 -10.147 -1.789 1.00 0.00 N ATOM 440 C5 C A 14 0.882 -10.892 0.482 1.00 0.00 C ATOM 441 C6 C A 14 0.149 -11.372 1.505 1.00 0.00 C ATOM 0 H5' C A 14 -0.295 -12.456 6.313 1.00 0.00 H new ATOM 0 H5'' C A 14 0.127 -14.055 5.732 1.00 0.00 H new ATOM 0 H4' C A 14 -2.168 -13.127 5.168 1.00 0.00 H new ATOM 0 H3' C A 14 -0.232 -14.385 3.159 1.00 0.00 H new ATOM 0 H2' C A 14 -1.868 -14.025 1.396 1.00 0.00 H new ATOM 0 HO2' C A 14 -3.541 -14.734 3.267 1.00 0.00 H new ATOM 0 HO3' C A 14 -1.684 -16.087 3.356 1.00 0.00 H new ATOM 0 H1' C A 14 -2.975 -11.631 2.401 1.00 0.00 H new ATOM 0 H41 C A 14 1.894 -9.976 -1.704 1.00 0.00 H new ATOM 0 H42 C A 14 0.414 -9.953 -2.669 1.00 0.00 H new ATOM 0 H5 C A 14 1.942 -10.716 0.588 1.00 0.00 H new ATOM 0 H6 C A 14 0.625 -11.586 2.450 1.00 0.00 H new TER 454 C A 14