USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=18 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 13 G O2' : rot -8:sc= -3.97! USER MOD Single : A 13 G O5' : rot 14:sc= -1.24! USER MOD Single : A 14 G O2' : rot -16:sc= -0.0927 USER MOD Single : A 15 C O2' : rot -6:sc= -1.21 USER MOD Single : A 16 A O2' : rot -2:sc= -5.1! USER MOD Single : A 17 C O2' : rot -17:sc= -3.22! USER MOD Single : A 18 U O2' : rot 175:sc= -6.35! USER MOD Single : A 19 G O2' : rot -21:sc= 0.185 USER MOD Single : A 19 G O3' : rot 180:sc= 0.179 USER MOD Single : B 59 C O2' : rot -14:sc= -1.73! USER MOD Single : B 59 C O5' : rot 39:sc= -3.79! USER MOD Single : B 60 A O2' : rot -17:sc= 0.194 USER MOD Single : B 61 G O2' : rot -151:sc= -2.13! USER MOD Single : B 62 U O2' : rot -13:sc= -2.36! USER MOD Single : B 63 G O2' : rot -5:sc= -0.221 USER MOD Single : B 64 U O2' : rot -7:sc= 0.124 USER MOD Single : B 65 C O2' : rot -20:sc= 0.149 USER MOD Single : B 65 C O3' : rot 180:sc= 0.173 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 13 4.920 -7.499 -5.191 1.00 0.00 O ATOM 2 C5' G A 13 5.196 -8.297 -6.345 1.00 0.00 C ATOM 3 C4' G A 13 3.967 -9.083 -6.791 1.00 0.00 C ATOM 4 O4' G A 13 3.639 -10.113 -5.845 1.00 0.00 O ATOM 5 C3' G A 13 2.739 -8.180 -6.872 1.00 0.00 C ATOM 6 O3' G A 13 2.524 -7.818 -8.238 1.00 0.00 O ATOM 7 C2' G A 13 1.612 -9.093 -6.437 1.00 0.00 C ATOM 8 O2' G A 13 1.142 -9.907 -7.518 1.00 0.00 O ATOM 9 C1' G A 13 2.299 -9.922 -5.370 1.00 0.00 C ATOM 10 N9 G A 13 2.290 -9.215 -4.076 1.00 0.00 N ATOM 11 C8 G A 13 3.048 -8.172 -3.657 1.00 0.00 C ATOM 12 N7 G A 13 2.832 -7.714 -2.471 1.00 0.00 N ATOM 13 C5 G A 13 1.799 -8.545 -2.029 1.00 0.00 C ATOM 14 C6 G A 13 1.107 -8.554 -0.789 1.00 0.00 C ATOM 15 O6 G A 13 1.270 -7.818 0.183 1.00 0.00 O ATOM 16 N1 G A 13 0.141 -9.551 -0.755 1.00 0.00 N ATOM 17 C2 G A 13 -0.131 -10.433 -1.780 1.00 0.00 C ATOM 18 N2 G A 13 -1.100 -11.320 -1.555 1.00 0.00 N ATOM 19 N3 G A 13 0.516 -10.432 -2.950 1.00 0.00 N ATOM 20 C4 G A 13 1.462 -9.468 -3.008 1.00 0.00 C ATOM 0 H5' G A 13 6.010 -8.988 -6.124 1.00 0.00 H new ATOM 0 H5'' G A 13 5.534 -7.656 -7.159 1.00 0.00 H new ATOM 0 H4' G A 13 4.213 -9.506 -7.765 1.00 0.00 H new ATOM 0 H3' G A 13 2.826 -7.271 -6.278 1.00 0.00 H new ATOM 0 H2' G A 13 0.721 -8.568 -6.091 1.00 0.00 H new ATOM 0 HO2' G A 13 1.562 -9.615 -8.354 1.00 0.00 H new ATOM 0 HO5' G A 13 4.075 -7.789 -4.787 1.00 0.00 H new ATOM 0 H1' G A 13 1.793 -10.873 -5.202 1.00 0.00 H new ATOM 0 H8 G A 13 3.806 -7.740 -4.294 1.00 0.00 H new ATOM 0 H1 G A 13 -0.412 -9.638 0.097 1.00 0.00 H new ATOM 0 H21 G A 13 -1.347 -11.999 -2.275 1.00 0.00 H new ATOM 0 H22 G A 13 -1.594 -11.320 -0.663 1.00 0.00 H new ATOM 33 P G A 14 1.635 -6.526 -8.598 1.00 0.00 P ATOM 34 OP1 G A 14 1.544 -6.423 -10.072 1.00 0.00 O ATOM 35 OP2 G A 14 2.140 -5.381 -7.809 1.00 0.00 O ATOM 36 O5' G A 14 0.183 -6.929 -8.030 1.00 0.00 O ATOM 37 C5' G A 14 -0.566 -7.975 -8.652 1.00 0.00 C ATOM 38 C4' G A 14 -2.007 -8.026 -8.146 1.00 0.00 C ATOM 39 O4' G A 14 -2.119 -8.704 -6.883 1.00 0.00 O ATOM 40 C3' G A 14 -2.558 -6.640 -7.873 1.00 0.00 C ATOM 41 O3' G A 14 -3.056 -6.065 -9.082 1.00 0.00 O ATOM 42 C2' G A 14 -3.726 -6.978 -6.975 1.00 0.00 C ATOM 43 O2' G A 14 -4.816 -7.536 -7.717 1.00 0.00 O ATOM 44 C1' G A 14 -3.085 -8.011 -6.062 1.00 0.00 C ATOM 45 N9 G A 14 -2.444 -7.372 -4.903 1.00 0.00 N ATOM 46 C8 G A 14 -1.199 -6.853 -4.762 1.00 0.00 C ATOM 47 N7 G A 14 -0.876 -6.388 -3.602 1.00 0.00 N ATOM 48 C5 G A 14 -2.045 -6.618 -2.870 1.00 0.00 C ATOM 49 C6 G A 14 -2.339 -6.330 -1.515 1.00 0.00 C ATOM 50 O6 G A 14 -1.609 -5.811 -0.676 1.00 0.00 O ATOM 51 N1 G A 14 -3.633 -6.721 -1.177 1.00 0.00 N ATOM 52 C2 G A 14 -4.530 -7.314 -2.037 1.00 0.00 C ATOM 53 N2 G A 14 -5.727 -7.606 -1.526 1.00 0.00 N ATOM 54 N3 G A 14 -4.260 -7.589 -3.313 1.00 0.00 N ATOM 55 C4 G A 14 -3.009 -7.218 -3.662 1.00 0.00 C ATOM 0 H5' G A 14 -0.080 -8.932 -8.460 1.00 0.00 H new ATOM 0 H5'' G A 14 -0.566 -7.828 -9.732 1.00 0.00 H new ATOM 0 H4' G A 14 -2.552 -8.543 -8.936 1.00 0.00 H new ATOM 0 H3' G A 14 -1.834 -5.938 -7.460 1.00 0.00 H new ATOM 0 H2' G A 14 -4.163 -6.124 -6.458 1.00 0.00 H new ATOM 0 HO2' G A 14 -4.688 -7.356 -8.672 1.00 0.00 H new ATOM 0 H1' G A 14 -3.824 -8.698 -5.650 1.00 0.00 H new ATOM 0 H8 G A 14 -0.504 -6.830 -5.589 1.00 0.00 H new ATOM 0 H1 G A 14 -3.939 -6.555 -0.218 1.00 0.00 H new ATOM 0 H21 G A 14 -6.437 -8.047 -2.111 1.00 0.00 H new ATOM 0 H22 G A 14 -5.932 -7.389 -0.551 1.00 0.00 H new ATOM 67 P C A 15 -3.105 -4.462 -9.230 1.00 0.00 P ATOM 68 OP1 C A 15 -3.778 -4.132 -10.508 1.00 0.00 O ATOM 69 OP2 C A 15 -1.758 -3.924 -8.940 1.00 0.00 O ATOM 70 O5' C A 15 -4.086 -4.057 -8.022 1.00 0.00 O ATOM 71 C5' C A 15 -5.475 -4.372 -8.095 1.00 0.00 C ATOM 72 C4' C A 15 -6.160 -4.263 -6.736 1.00 0.00 C ATOM 73 O4' C A 15 -5.532 -5.098 -5.759 1.00 0.00 O ATOM 74 C3' C A 15 -6.053 -2.879 -6.131 1.00 0.00 C ATOM 75 O3' C A 15 -7.051 -2.025 -6.694 1.00 0.00 O ATOM 76 C2' C A 15 -6.429 -3.179 -4.697 1.00 0.00 C ATOM 77 O2' C A 15 -7.844 -3.350 -4.549 1.00 0.00 O ATOM 78 C1' C A 15 -5.680 -4.485 -4.462 1.00 0.00 C ATOM 79 N1 C A 15 -4.375 -4.218 -3.820 1.00 0.00 N ATOM 80 C2 C A 15 -4.388 -3.968 -2.458 1.00 0.00 C ATOM 81 O2 C A 15 -5.454 -3.940 -1.848 1.00 0.00 O ATOM 82 N3 C A 15 -3.203 -3.741 -1.831 1.00 0.00 N ATOM 83 C4 C A 15 -2.051 -3.760 -2.512 1.00 0.00 C ATOM 84 N4 C A 15 -0.909 -3.535 -1.863 1.00 0.00 N ATOM 85 C5 C A 15 -2.032 -4.014 -3.920 1.00 0.00 C ATOM 86 C6 C A 15 -3.210 -4.233 -4.530 1.00 0.00 C ATOM 0 H5' C A 15 -5.597 -5.384 -8.482 1.00 0.00 H new ATOM 0 H5'' C A 15 -5.962 -3.700 -8.801 1.00 0.00 H new ATOM 0 H4' C A 15 -7.193 -4.542 -6.943 1.00 0.00 H new ATOM 0 H3' C A 15 -5.089 -2.391 -6.277 1.00 0.00 H new ATOM 0 H2' C A 15 -6.177 -2.386 -3.993 1.00 0.00 H new ATOM 0 HO2' C A 15 -8.289 -3.147 -5.399 1.00 0.00 H new ATOM 0 H1' C A 15 -6.217 -5.152 -3.788 1.00 0.00 H new ATOM 0 H41 C A 15 -0.024 -3.547 -2.370 1.00 0.00 H new ATOM 0 H42 C A 15 -0.920 -3.351 -0.860 1.00 0.00 H new ATOM 0 H5 C A 15 -1.104 -4.029 -4.473 1.00 0.00 H new ATOM 0 H6 C A 15 -3.234 -4.423 -5.593 1.00 0.00 H new ATOM 98 P A A 16 -6.905 -0.425 -6.566 1.00 0.00 P ATOM 99 OP1 A A 16 -8.100 0.199 -7.178 1.00 0.00 O ATOM 100 OP2 A A 16 -5.554 -0.044 -7.036 1.00 0.00 O ATOM 101 O5' A A 16 -6.972 -0.186 -4.972 1.00 0.00 O ATOM 102 C5' A A 16 -8.210 -0.338 -4.273 1.00 0.00 C ATOM 103 C4' A A 16 -8.048 -0.169 -2.761 1.00 0.00 C ATOM 104 O4' A A 16 -7.124 -1.112 -2.207 1.00 0.00 O ATOM 105 C3' A A 16 -7.462 1.182 -2.397 1.00 0.00 C ATOM 106 O3' A A 16 -8.511 2.148 -2.317 1.00 0.00 O ATOM 107 C2' A A 16 -6.946 0.917 -0.999 1.00 0.00 C ATOM 108 O2' A A 16 -8.003 0.947 -0.033 1.00 0.00 O ATOM 109 C1' A A 16 -6.371 -0.477 -1.151 1.00 0.00 C ATOM 110 N9 A A 16 -4.934 -0.414 -1.473 1.00 0.00 N ATOM 111 C8 A A 16 -4.298 -0.632 -2.642 1.00 0.00 C ATOM 112 N7 A A 16 -3.010 -0.614 -2.638 1.00 0.00 N ATOM 113 C5 A A 16 -2.744 -0.338 -1.299 1.00 0.00 C ATOM 114 C6 A A 16 -1.556 -0.174 -0.587 1.00 0.00 C ATOM 115 N6 A A 16 -0.352 -0.321 -1.147 1.00 0.00 N ATOM 116 N1 A A 16 -1.662 0.103 0.727 1.00 0.00 N ATOM 117 C2 A A 16 -2.869 0.205 1.296 1.00 0.00 C ATOM 118 N3 A A 16 -4.047 0.062 0.714 1.00 0.00 N ATOM 119 C4 A A 16 -3.913 -0.209 -0.589 1.00 0.00 C ATOM 0 H5' A A 16 -8.625 -1.324 -4.484 1.00 0.00 H new ATOM 0 H5'' A A 16 -8.926 0.395 -4.644 1.00 0.00 H new ATOM 0 H4' A A 16 -9.056 -0.301 -2.368 1.00 0.00 H new ATOM 0 H3' A A 16 -6.718 1.553 -3.102 1.00 0.00 H new ATOM 0 H2' A A 16 -6.230 1.657 -0.641 1.00 0.00 H new ATOM 0 HO2' A A 16 -8.848 1.164 -0.479 1.00 0.00 H new ATOM 0 H1' A A 16 -6.452 -1.047 -0.225 1.00 0.00 H new ATOM 0 H8 A A 16 -4.850 -0.816 -3.552 1.00 0.00 H new ATOM 0 H61 A A 16 0.490 -0.191 -0.587 1.00 0.00 H new ATOM 0 H62 A A 16 -0.275 -0.563 -2.135 1.00 0.00 H new ATOM 0 H2 A A 16 -2.882 0.430 2.352 1.00 0.00 H new ATOM 131 P C A 17 -8.156 3.717 -2.354 1.00 0.00 P ATOM 132 OP1 C A 17 -9.412 4.482 -2.190 1.00 0.00 O ATOM 133 OP2 C A 17 -7.284 3.968 -3.522 1.00 0.00 O ATOM 134 O5' C A 17 -7.274 3.899 -1.016 1.00 0.00 O ATOM 135 C5' C A 17 -7.839 3.600 0.262 1.00 0.00 C ATOM 136 C4' C A 17 -6.806 3.684 1.383 1.00 0.00 C ATOM 137 O4' C A 17 -5.769 2.714 1.249 1.00 0.00 O ATOM 138 C3' C A 17 -6.089 5.014 1.384 1.00 0.00 C ATOM 139 O3' C A 17 -6.874 5.951 2.127 1.00 0.00 O ATOM 140 C2' C A 17 -4.836 4.699 2.175 1.00 0.00 C ATOM 141 O2' C A 17 -5.070 4.789 3.585 1.00 0.00 O ATOM 142 C1' C A 17 -4.535 3.266 1.750 1.00 0.00 C ATOM 143 N1 C A 17 -3.500 3.228 0.712 1.00 0.00 N ATOM 144 C2 C A 17 -2.181 3.206 1.121 1.00 0.00 C ATOM 145 O2 C A 17 -1.910 3.251 2.318 1.00 0.00 O ATOM 146 N3 C A 17 -1.214 3.139 0.163 1.00 0.00 N ATOM 147 C4 C A 17 -1.542 3.097 -1.137 1.00 0.00 C ATOM 148 N4 C A 17 -0.580 3.014 -2.055 1.00 0.00 N ATOM 149 C5 C A 17 -2.909 3.127 -1.546 1.00 0.00 C ATOM 150 C6 C A 17 -3.840 3.191 -0.598 1.00 0.00 C ATOM 0 H5' C A 17 -8.270 2.599 0.242 1.00 0.00 H new ATOM 0 H5'' C A 17 -8.654 4.294 0.468 1.00 0.00 H new ATOM 0 H4' C A 17 -7.384 3.524 2.293 1.00 0.00 H new ATOM 0 H3' C A 17 -5.902 5.427 0.393 1.00 0.00 H new ATOM 0 H2' C A 17 -4.016 5.391 1.985 1.00 0.00 H new ATOM 0 HO2' C A 17 -5.896 5.291 3.748 1.00 0.00 H new ATOM 0 H1' C A 17 -4.157 2.689 2.594 1.00 0.00 H new ATOM 0 H41 C A 17 -0.822 2.982 -3.045 1.00 0.00 H new ATOM 0 H42 C A 17 0.398 2.983 -1.767 1.00 0.00 H new ATOM 0 H5 C A 17 -3.179 3.099 -2.591 1.00 0.00 H new ATOM 0 H6 C A 17 -4.883 3.214 -0.878 1.00 0.00 H new ATOM 162 P U A 18 -6.821 7.519 1.778 1.00 0.00 P ATOM 163 OP1 U A 18 -7.675 8.239 2.748 1.00 0.00 O ATOM 164 OP2 U A 18 -7.055 7.680 0.326 1.00 0.00 O ATOM 165 O5' U A 18 -5.286 7.891 2.086 1.00 0.00 O ATOM 166 C5' U A 18 -4.735 7.691 3.390 1.00 0.00 C ATOM 167 C4' U A 18 -3.249 8.023 3.417 1.00 0.00 C ATOM 168 O4' U A 18 -2.476 7.002 2.789 1.00 0.00 O ATOM 169 C3' U A 18 -2.976 9.294 2.632 1.00 0.00 C ATOM 170 O3' U A 18 -2.761 10.363 3.556 1.00 0.00 O ATOM 171 C2' U A 18 -1.677 9.053 1.886 1.00 0.00 C ATOM 172 O2' U A 18 -0.629 9.890 2.375 1.00 0.00 O ATOM 173 C1' U A 18 -1.357 7.585 2.111 1.00 0.00 C ATOM 174 N1 U A 18 -1.114 6.934 0.818 1.00 0.00 N ATOM 175 C2 U A 18 0.198 6.804 0.411 1.00 0.00 C ATOM 176 O2 U A 18 1.138 7.196 1.099 1.00 0.00 O ATOM 177 N3 U A 18 0.394 6.212 -0.821 1.00 0.00 N ATOM 178 C4 U A 18 -0.596 5.742 -1.667 1.00 0.00 C ATOM 179 O4 U A 18 -0.302 5.233 -2.748 1.00 0.00 O ATOM 180 C5 U A 18 -1.943 5.919 -1.156 1.00 0.00 C ATOM 181 C6 U A 18 -2.153 6.504 0.048 1.00 0.00 C ATOM 0 H5' U A 18 -4.885 6.656 3.696 1.00 0.00 H new ATOM 0 H5'' U A 18 -5.263 8.316 4.110 1.00 0.00 H new ATOM 0 H4' U A 18 -2.975 8.127 4.467 1.00 0.00 H new ATOM 0 H3' U A 18 -3.800 9.541 1.963 1.00 0.00 H new ATOM 0 H2' U A 18 -1.773 9.291 0.827 1.00 0.00 H new ATOM 0 HO2' U A 18 0.213 9.652 1.934 1.00 0.00 H new ATOM 0 H1' U A 18 -0.459 7.459 2.715 1.00 0.00 H new ATOM 0 H3 U A 18 1.358 6.112 -1.137 1.00 0.00 H new ATOM 0 H5 U A 18 -2.786 5.581 -1.741 1.00 0.00 H new ATOM 0 H6 U A 18 -3.164 6.632 0.405 1.00 0.00 H new ATOM 192 P G A 19 -2.668 11.884 3.038 1.00 0.00 P ATOM 193 OP1 G A 19 -2.939 12.784 4.182 1.00 0.00 O ATOM 194 OP2 G A 19 -3.462 12.005 1.795 1.00 0.00 O ATOM 195 O5' G A 19 -1.104 12.004 2.657 1.00 0.00 O ATOM 196 C5' G A 19 -0.122 12.045 3.697 1.00 0.00 C ATOM 197 C4' G A 19 1.301 11.826 3.179 1.00 0.00 C ATOM 198 O4' G A 19 1.467 10.540 2.595 1.00 0.00 O ATOM 199 C3' G A 19 1.666 12.784 2.066 1.00 0.00 C ATOM 200 O3' G A 19 1.991 14.085 2.567 1.00 0.00 O ATOM 201 C2' G A 19 2.883 12.084 1.472 1.00 0.00 C ATOM 202 O2' G A 19 4.081 12.432 2.174 1.00 0.00 O ATOM 203 C1' G A 19 2.543 10.604 1.646 1.00 0.00 C ATOM 204 N9 G A 19 2.158 10.012 0.354 1.00 0.00 N ATOM 205 C8 G A 19 0.929 9.736 -0.130 1.00 0.00 C ATOM 206 N7 G A 19 0.849 9.180 -1.290 1.00 0.00 N ATOM 207 C5 G A 19 2.196 9.069 -1.643 1.00 0.00 C ATOM 208 C6 G A 19 2.784 8.537 -2.818 1.00 0.00 C ATOM 209 O6 G A 19 2.226 8.042 -3.795 1.00 0.00 O ATOM 210 N1 G A 19 4.170 8.619 -2.775 1.00 0.00 N ATOM 211 C2 G A 19 4.904 9.151 -1.734 1.00 0.00 C ATOM 212 N2 G A 19 6.227 9.160 -1.889 1.00 0.00 N ATOM 213 N3 G A 19 4.356 9.652 -0.621 1.00 0.00 N ATOM 214 C4 G A 19 3.006 9.580 -0.641 1.00 0.00 C ATOM 0 H5' G A 19 -0.355 11.282 4.440 1.00 0.00 H new ATOM 0 H5'' G A 19 -0.175 13.009 4.203 1.00 0.00 H new ATOM 0 H4' G A 19 1.926 11.966 4.061 1.00 0.00 H new ATOM 0 H3' G A 19 0.863 12.972 1.353 1.00 0.00 H new ATOM 0 H2' G A 19 3.075 12.361 0.435 1.00 0.00 H new ATOM 0 HO2' G A 19 3.943 13.272 2.660 1.00 0.00 H new ATOM 0 HO3' G A 19 2.223 14.675 1.820 1.00 0.00 H new ATOM 0 H1' G A 19 3.401 10.036 2.006 1.00 0.00 H new ATOM 0 H8 G A 19 0.041 9.973 0.437 1.00 0.00 H new ATOM 0 H1 G A 19 4.687 8.257 -3.577 1.00 0.00 H new ATOM 0 H21 G A 19 6.824 9.540 -1.155 1.00 0.00 H new ATOM 0 H22 G A 19 6.643 8.787 -2.742 1.00 0.00 H new TER 227 G A 19 ATOM 228 O5' C B 59 8.230 4.893 -8.028 1.00 0.00 O ATOM 229 C5' C B 59 9.643 4.767 -8.160 1.00 0.00 C ATOM 230 C4' C B 59 10.404 5.671 -7.182 1.00 0.00 C ATOM 231 O4' C B 59 10.009 7.050 -7.322 1.00 0.00 O ATOM 232 C3' C B 59 10.101 5.310 -5.730 1.00 0.00 C ATOM 233 O3' C B 59 11.145 4.469 -5.237 1.00 0.00 O ATOM 234 C2' C B 59 10.197 6.651 -5.029 1.00 0.00 C ATOM 235 O2' C B 59 11.558 7.026 -4.787 1.00 0.00 O ATOM 236 C1' C B 59 9.543 7.546 -6.054 1.00 0.00 C ATOM 237 N1 C B 59 8.077 7.447 -5.963 1.00 0.00 N ATOM 238 C2 C B 59 7.445 8.023 -4.873 1.00 0.00 C ATOM 239 O2 C B 59 8.101 8.620 -4.022 1.00 0.00 O ATOM 240 N3 C B 59 6.091 7.894 -4.777 1.00 0.00 N ATOM 241 C4 C B 59 5.396 7.228 -5.713 1.00 0.00 C ATOM 242 N4 C B 59 4.072 7.123 -5.599 1.00 0.00 N ATOM 243 C5 C B 59 6.060 6.635 -6.831 1.00 0.00 C ATOM 244 C6 C B 59 7.384 6.775 -6.911 1.00 0.00 C ATOM 0 H5' C B 59 9.933 5.015 -9.181 1.00 0.00 H new ATOM 0 H5'' C B 59 9.930 3.729 -7.990 1.00 0.00 H new ATOM 0 H4' C B 59 11.459 5.528 -7.418 1.00 0.00 H new ATOM 0 H3' C B 59 9.148 4.799 -5.592 1.00 0.00 H new ATOM 0 H2' C B 59 9.736 6.681 -4.042 1.00 0.00 H new ATOM 0 HO2' C B 59 12.141 6.250 -4.925 1.00 0.00 H new ATOM 0 HO5' C B 59 7.998 5.833 -7.876 1.00 0.00 H new ATOM 0 H1' C B 59 9.793 8.597 -5.907 1.00 0.00 H new ATOM 0 H41 C B 59 3.538 6.619 -6.306 1.00 0.00 H new ATOM 0 H42 C B 59 3.593 7.547 -4.804 1.00 0.00 H new ATOM 0 H5 C B 59 5.509 6.092 -7.585 1.00 0.00 H new ATOM 0 H6 C B 59 7.913 6.344 -7.748 1.00 0.00 H new ATOM 257 P A B 60 10.826 3.354 -4.120 1.00 0.00 P ATOM 258 OP1 A B 60 12.097 2.691 -3.750 1.00 0.00 O ATOM 259 OP2 A B 60 9.679 2.544 -4.588 1.00 0.00 O ATOM 260 O5' A B 60 10.339 4.243 -2.869 1.00 0.00 O ATOM 261 C5' A B 60 11.209 5.217 -2.288 1.00 0.00 C ATOM 262 C4' A B 60 10.544 5.951 -1.128 1.00 0.00 C ATOM 263 O4' A B 60 9.598 6.933 -1.582 1.00 0.00 O ATOM 264 C3' A B 60 9.731 5.001 -0.268 1.00 0.00 C ATOM 265 O3' A B 60 10.589 4.415 0.716 1.00 0.00 O ATOM 266 C2' A B 60 8.776 5.962 0.410 1.00 0.00 C ATOM 267 O2' A B 60 9.415 6.671 1.478 1.00 0.00 O ATOM 268 C1' A B 60 8.424 6.889 -0.746 1.00 0.00 C ATOM 269 N9 A B 60 7.251 6.388 -1.493 1.00 0.00 N ATOM 270 C8 A B 60 7.186 5.688 -2.655 1.00 0.00 C ATOM 271 N7 A B 60 6.013 5.367 -3.092 1.00 0.00 N ATOM 272 C5 A B 60 5.186 5.918 -2.107 1.00 0.00 C ATOM 273 C6 A B 60 3.796 5.948 -1.946 1.00 0.00 C ATOM 274 N6 A B 60 2.949 5.384 -2.812 1.00 0.00 N ATOM 275 N1 A B 60 3.314 6.581 -0.859 1.00 0.00 N ATOM 276 C2 A B 60 4.148 7.152 0.016 1.00 0.00 C ATOM 277 N3 A B 60 5.474 7.178 -0.040 1.00 0.00 N ATOM 278 C4 A B 60 5.932 6.540 -1.134 1.00 0.00 C ATOM 0 H5' A B 60 11.509 5.937 -3.050 1.00 0.00 H new ATOM 0 H5'' A B 60 12.118 4.729 -1.936 1.00 0.00 H new ATOM 0 H4' A B 60 11.364 6.410 -0.576 1.00 0.00 H new ATOM 0 H3' A B 60 9.249 4.188 -0.811 1.00 0.00 H new ATOM 0 H2' A B 60 7.916 5.484 0.879 1.00 0.00 H new ATOM 0 HO2' A B 60 10.241 6.207 1.731 1.00 0.00 H new ATOM 0 H1' A B 60 8.151 7.883 -0.392 1.00 0.00 H new ATOM 0 H8 A B 60 8.080 5.410 -3.193 1.00 0.00 H new ATOM 0 H61 A B 60 1.943 5.434 -2.648 1.00 0.00 H new ATOM 0 H62 A B 60 3.308 4.903 -3.637 1.00 0.00 H new ATOM 0 H2 A B 60 3.693 7.647 0.861 1.00 0.00 H new ATOM 290 P G B 61 10.448 2.852 1.087 1.00 0.00 P ATOM 291 OP1 G B 61 11.625 2.460 1.894 1.00 0.00 O ATOM 292 OP2 G B 61 10.121 2.111 -0.151 1.00 0.00 O ATOM 293 O5' G B 61 9.153 2.830 2.043 1.00 0.00 O ATOM 294 C5' G B 61 9.238 3.319 3.382 1.00 0.00 C ATOM 295 C4' G B 61 7.857 3.495 4.005 1.00 0.00 C ATOM 296 O4' G B 61 7.066 4.405 3.239 1.00 0.00 O ATOM 297 C3' G B 61 7.069 2.193 4.018 1.00 0.00 C ATOM 298 O3' G B 61 7.263 1.544 5.278 1.00 0.00 O ATOM 299 C2' G B 61 5.625 2.642 3.945 1.00 0.00 C ATOM 300 O2' G B 61 5.053 2.793 5.248 1.00 0.00 O ATOM 301 C1' G B 61 5.697 3.970 3.209 1.00 0.00 C ATOM 302 N9 G B 61 5.207 3.794 1.834 1.00 0.00 N ATOM 303 C8 G B 61 5.886 3.615 0.674 1.00 0.00 C ATOM 304 N7 G B 61 5.194 3.451 -0.403 1.00 0.00 N ATOM 305 C5 G B 61 3.887 3.522 0.088 1.00 0.00 C ATOM 306 C6 G B 61 2.648 3.410 -0.595 1.00 0.00 C ATOM 307 O6 G B 61 2.451 3.228 -1.795 1.00 0.00 O ATOM 308 N1 G B 61 1.576 3.537 0.279 1.00 0.00 N ATOM 309 C2 G B 61 1.678 3.744 1.638 1.00 0.00 C ATOM 310 N2 G B 61 0.533 3.821 2.309 1.00 0.00 N ATOM 311 N3 G B 61 2.835 3.851 2.285 1.00 0.00 N ATOM 312 C4 G B 61 3.893 3.731 1.457 1.00 0.00 C ATOM 0 H5' G B 61 9.765 4.273 3.389 1.00 0.00 H new ATOM 0 H5'' G B 61 9.825 2.627 3.986 1.00 0.00 H new ATOM 0 H4' G B 61 8.037 3.856 5.018 1.00 0.00 H new ATOM 0 H3' G B 61 7.361 1.514 3.217 1.00 0.00 H new ATOM 0 H2' G B 61 4.986 1.917 3.441 1.00 0.00 H new ATOM 0 HO2' G B 61 4.088 2.626 5.203 1.00 0.00 H new ATOM 0 H1' G B 61 5.070 4.727 3.680 1.00 0.00 H new ATOM 0 H8 G B 61 6.966 3.610 0.652 1.00 0.00 H new ATOM 0 H1 G B 61 0.638 3.472 -0.116 1.00 0.00 H new ATOM 0 H21 G B 61 0.542 3.973 3.318 1.00 0.00 H new ATOM 0 H22 G B 61 -0.355 3.728 1.815 1.00 0.00 H new ATOM 324 P U B 62 6.745 0.033 5.501 1.00 0.00 P ATOM 325 OP1 U B 62 7.470 -0.542 6.657 1.00 0.00 O ATOM 326 OP2 U B 62 6.761 -0.663 4.195 1.00 0.00 O ATOM 327 O5' U B 62 5.209 0.276 5.931 1.00 0.00 O ATOM 328 C5' U B 62 4.924 0.932 7.168 1.00 0.00 C ATOM 329 C4' U B 62 3.472 1.404 7.274 1.00 0.00 C ATOM 330 O4' U B 62 3.116 2.260 6.180 1.00 0.00 O ATOM 331 C3' U B 62 2.463 0.269 7.201 1.00 0.00 C ATOM 332 O3' U B 62 2.269 -0.288 8.503 1.00 0.00 O ATOM 333 C2' U B 62 1.215 1.035 6.823 1.00 0.00 C ATOM 334 O2' U B 62 0.691 1.777 7.930 1.00 0.00 O ATOM 335 C1' U B 62 1.776 1.946 5.752 1.00 0.00 C ATOM 336 N1 U B 62 1.783 1.257 4.455 1.00 0.00 N ATOM 337 C2 U B 62 0.587 1.159 3.766 1.00 0.00 C ATOM 338 O2 U B 62 -0.470 1.582 4.226 1.00 0.00 O ATOM 339 N3 U B 62 0.652 0.537 2.532 1.00 0.00 N ATOM 340 C4 U B 62 1.793 0.019 1.942 1.00 0.00 C ATOM 341 O4 U B 62 1.743 -0.493 0.826 1.00 0.00 O ATOM 342 C5 U B 62 2.988 0.165 2.746 1.00 0.00 C ATOM 343 C6 U B 62 2.942 0.763 3.954 1.00 0.00 C ATOM 0 H5' U B 62 5.588 1.789 7.280 1.00 0.00 H new ATOM 0 H5'' U B 62 5.140 0.252 7.992 1.00 0.00 H new ATOM 0 H4' U B 62 3.432 1.907 8.240 1.00 0.00 H new ATOM 0 H3' U B 62 2.743 -0.545 6.533 1.00 0.00 H new ATOM 0 H2' U B 62 0.377 0.415 6.504 1.00 0.00 H new ATOM 0 HO2' U B 62 1.123 1.479 8.758 1.00 0.00 H new ATOM 0 H1' U B 62 1.179 2.849 5.624 1.00 0.00 H new ATOM 0 H3 U B 62 -0.220 0.452 2.009 1.00 0.00 H new ATOM 0 H5 U B 62 3.930 -0.210 2.373 1.00 0.00 H new ATOM 0 H6 U B 62 3.848 0.850 4.535 1.00 0.00 H new ATOM 354 P G B 63 1.671 -1.776 8.654 1.00 0.00 P ATOM 355 OP1 G B 63 1.479 -2.053 10.095 1.00 0.00 O ATOM 356 OP2 G B 63 2.493 -2.691 7.831 1.00 0.00 O ATOM 357 O5' G B 63 0.218 -1.644 7.967 1.00 0.00 O ATOM 358 C5' G B 63 -0.777 -0.786 8.530 1.00 0.00 C ATOM 359 C4' G B 63 -2.108 -0.881 7.781 1.00 0.00 C ATOM 360 O4' G B 63 -2.065 -0.217 6.513 1.00 0.00 O ATOM 361 C3' G B 63 -2.467 -2.317 7.452 1.00 0.00 C ATOM 362 O3' G B 63 -3.161 -2.874 8.569 1.00 0.00 O ATOM 363 C2' G B 63 -3.442 -2.130 6.305 1.00 0.00 C ATOM 364 O2' G B 63 -4.747 -1.769 6.773 1.00 0.00 O ATOM 365 C1' G B 63 -2.790 -0.998 5.541 1.00 0.00 C ATOM 366 N9 G B 63 -1.888 -1.524 4.501 1.00 0.00 N ATOM 367 C8 G B 63 -0.541 -1.654 4.517 1.00 0.00 C ATOM 368 N7 G B 63 0.035 -2.081 3.448 1.00 0.00 N ATOM 369 C5 G B 63 -1.055 -2.274 2.599 1.00 0.00 C ATOM 370 C6 G B 63 -1.088 -2.739 1.264 1.00 0.00 C ATOM 371 O6 G B 63 -0.142 -3.067 0.551 1.00 0.00 O ATOM 372 N1 G B 63 -2.385 -2.791 0.776 1.00 0.00 N ATOM 373 C2 G B 63 -3.518 -2.446 1.484 1.00 0.00 C ATOM 374 N2 G B 63 -4.680 -2.593 0.846 1.00 0.00 N ATOM 375 N3 G B 63 -3.496 -2.002 2.745 1.00 0.00 N ATOM 376 C4 G B 63 -2.240 -1.940 3.239 1.00 0.00 C ATOM 0 H5' G B 63 -0.422 0.244 8.508 1.00 0.00 H new ATOM 0 H5'' G B 63 -0.931 -1.048 9.577 1.00 0.00 H new ATOM 0 H4' G B 63 -2.833 -0.420 8.452 1.00 0.00 H new ATOM 0 H3' G B 63 -1.620 -2.963 7.221 1.00 0.00 H new ATOM 0 H2' G B 63 -3.609 -3.029 5.712 1.00 0.00 H new ATOM 0 HO2' G B 63 -4.762 -1.794 7.753 1.00 0.00 H new ATOM 0 H1' G B 63 -3.532 -0.387 5.028 1.00 0.00 H new ATOM 0 H8 G B 63 0.032 -1.407 5.398 1.00 0.00 H new ATOM 0 H1 G B 63 -2.512 -3.110 -0.184 1.00 0.00 H new ATOM 0 H21 G B 63 -5.553 -2.355 1.316 1.00 0.00 H new ATOM 0 H22 G B 63 -4.695 -2.943 -0.112 1.00 0.00 H new ATOM 388 P U B 64 -2.891 -4.394 9.014 1.00 0.00 P ATOM 389 OP1 U B 64 -3.477 -4.597 10.358 1.00 0.00 O ATOM 390 OP2 U B 64 -1.462 -4.701 8.776 1.00 0.00 O ATOM 391 O5' U B 64 -3.768 -5.217 7.950 1.00 0.00 O ATOM 392 C5' U B 64 -5.161 -4.940 7.801 1.00 0.00 C ATOM 393 C4' U B 64 -5.743 -5.652 6.588 1.00 0.00 C ATOM 394 O4' U B 64 -5.490 -4.939 5.373 1.00 0.00 O ATOM 395 C3' U B 64 -5.094 -7.006 6.389 1.00 0.00 C ATOM 396 O3' U B 64 -5.809 -7.977 7.155 1.00 0.00 O ATOM 397 C2' U B 64 -5.343 -7.262 4.918 1.00 0.00 C ATOM 398 O2' U B 64 -6.655 -7.795 4.695 1.00 0.00 O ATOM 399 C1' U B 64 -5.198 -5.875 4.319 1.00 0.00 C ATOM 400 N1 U B 64 -3.849 -5.656 3.763 1.00 0.00 N ATOM 401 C2 U B 64 -3.683 -5.884 2.410 1.00 0.00 C ATOM 402 O2 U B 64 -4.602 -6.285 1.699 1.00 0.00 O ATOM 403 N3 U B 64 -2.422 -5.640 1.900 1.00 0.00 N ATOM 404 C4 U B 64 -1.323 -5.198 2.621 1.00 0.00 C ATOM 405 O4 U B 64 -0.243 -5.012 2.065 1.00 0.00 O ATOM 406 C5 U B 64 -1.587 -4.991 4.029 1.00 0.00 C ATOM 407 C6 U B 64 -2.815 -5.219 4.548 1.00 0.00 C ATOM 0 H5' U B 64 -5.311 -3.865 7.700 1.00 0.00 H new ATOM 0 H5'' U B 64 -5.694 -5.253 8.699 1.00 0.00 H new ATOM 0 H4' U B 64 -6.812 -5.730 6.786 1.00 0.00 H new ATOM 0 H3' U B 64 -4.045 -7.049 6.681 1.00 0.00 H new ATOM 0 H2' U B 64 -4.666 -7.997 4.482 1.00 0.00 H new ATOM 0 HO2' U B 64 -7.082 -7.985 5.557 1.00 0.00 H new ATOM 0 H1' U B 64 -5.885 -5.747 3.483 1.00 0.00 H new ATOM 0 H3 U B 64 -2.287 -5.800 0.902 1.00 0.00 H new ATOM 0 H5 U B 64 -0.792 -4.649 4.675 1.00 0.00 H new ATOM 0 H6 U B 64 -2.984 -5.053 5.602 1.00 0.00 H new ATOM 418 P C B 65 -5.016 -9.152 7.919 1.00 0.00 P ATOM 419 OP1 C B 65 -5.953 -9.809 8.859 1.00 0.00 O ATOM 420 OP2 C B 65 -3.737 -8.600 8.417 1.00 0.00 O ATOM 421 O5' C B 65 -4.691 -10.184 6.729 1.00 0.00 O ATOM 422 C5' C B 65 -5.757 -10.807 6.009 1.00 0.00 C ATOM 423 C4' C B 65 -5.247 -11.602 4.811 1.00 0.00 C ATOM 424 O4' C B 65 -4.984 -10.757 3.694 1.00 0.00 O ATOM 425 C3' C B 65 -3.933 -12.296 5.117 1.00 0.00 C ATOM 426 O3' C B 65 -4.139 -13.551 5.775 1.00 0.00 O ATOM 427 C2' C B 65 -3.352 -12.480 3.727 1.00 0.00 C ATOM 428 O2' C B 65 -3.868 -13.657 3.095 1.00 0.00 O ATOM 429 C1' C B 65 -3.810 -11.213 3.009 1.00 0.00 C ATOM 430 N1 C B 65 -2.766 -10.185 3.045 1.00 0.00 N ATOM 431 C2 C B 65 -1.922 -10.084 1.956 1.00 0.00 C ATOM 432 O2 C B 65 -2.039 -10.861 1.011 1.00 0.00 O ATOM 433 N3 C B 65 -0.973 -9.107 1.965 1.00 0.00 N ATOM 434 C4 C B 65 -0.867 -8.265 3.002 1.00 0.00 C ATOM 435 N4 C B 65 0.089 -7.334 2.995 1.00 0.00 N ATOM 436 C5 C B 65 -1.750 -8.371 4.126 1.00 0.00 C ATOM 437 C6 C B 65 -2.669 -9.345 4.104 1.00 0.00 C ATOM 0 H5' C B 65 -6.458 -10.045 5.667 1.00 0.00 H new ATOM 0 H5'' C B 65 -6.307 -11.470 6.677 1.00 0.00 H new ATOM 0 H4' C B 65 -6.033 -12.323 4.588 1.00 0.00 H new ATOM 0 H3' C B 65 -3.287 -11.739 5.795 1.00 0.00 H new ATOM 0 H2' C B 65 -2.270 -12.614 3.723 1.00 0.00 H new ATOM 0 HO2' C B 65 -4.234 -14.260 3.775 1.00 0.00 H new ATOM 0 HO3' C B 65 -3.273 -13.972 5.956 1.00 0.00 H new ATOM 0 H1' C B 65 -4.019 -11.418 1.959 1.00 0.00 H new ATOM 0 H41 C B 65 0.178 -6.688 3.780 1.00 0.00 H new ATOM 0 H42 C B 65 0.731 -7.268 2.205 1.00 0.00 H new ATOM 0 H5 C B 65 -1.677 -7.690 4.961 1.00 0.00 H new ATOM 0 H6 C B 65 -3.341 -9.462 4.941 1.00 0.00 H new TER 450 C B 65