USER MOD reduce.3.24.130724 H: found=0, std=0, add=180, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 180 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 -125:sc= 0.346 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 C O2' : rot -22:sc= 0.151 USER MOD Single : A 3 A O2' : rot -19:sc= 0.406 USER MOD Single : A 4 G O2' : rot -17:sc= 0.0713 USER MOD Single : A 5 U O2' : rot -21:sc= 0.0218 USER MOD Single : A 6 G O2' : rot -24:sc= 0.244 USER MOD Single : A 7 G O2' : rot -65:sc= 0.817 USER MOD Single : A 8 C O2' : rot -30:sc= 0.126 USER MOD Single : A 8 C O3' : rot 180:sc= 0.153 USER MOD Single : B 101 G O2' : rot -14:sc= 0.475 USER MOD Single : B 101 G O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot -13:sc= 0.421 USER MOD Single : B 103 C O2' : rot -116:sc= 0.399 USER MOD Single : B 104 A O2' : rot -19:sc= 0.139 USER MOD Single : B 106 DT C7 :methyl 150:sc=-0.000846 (180deg=-0.000846) USER MOD Single : B 108 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -8.276 -15.937 -9.183 1.00 0.00 O ATOM 2 C5' G A 1 -7.757 -14.653 -8.887 1.00 0.00 C ATOM 3 C4' G A 1 -8.630 -14.034 -7.798 1.00 0.00 C ATOM 4 O4' G A 1 -8.287 -14.599 -6.544 1.00 0.00 O ATOM 5 C3' G A 1 -8.487 -12.518 -7.671 1.00 0.00 C ATOM 6 O3' G A 1 -9.414 -11.860 -8.520 1.00 0.00 O ATOM 7 C2' G A 1 -8.917 -12.363 -6.218 1.00 0.00 C ATOM 8 O2' G A 1 -10.336 -12.414 -6.164 1.00 0.00 O ATOM 9 C1' G A 1 -8.338 -13.595 -5.543 1.00 0.00 C ATOM 10 N9 G A 1 -7.000 -13.340 -4.965 1.00 0.00 N ATOM 11 C8 G A 1 -5.765 -13.533 -5.531 1.00 0.00 C ATOM 12 N7 G A 1 -4.774 -13.399 -4.697 1.00 0.00 N ATOM 13 C5 G A 1 -5.386 -13.071 -3.490 1.00 0.00 C ATOM 14 C6 G A 1 -4.818 -12.867 -2.193 1.00 0.00 C ATOM 15 O6 G A 1 -3.634 -12.954 -1.855 1.00 0.00 O ATOM 16 N1 G A 1 -5.782 -12.576 -1.238 1.00 0.00 N ATOM 17 C2 G A 1 -7.137 -12.503 -1.486 1.00 0.00 C ATOM 18 N2 G A 1 -7.929 -12.241 -0.455 1.00 0.00 N ATOM 19 N3 G A 1 -7.692 -12.709 -2.697 1.00 0.00 N ATOM 20 C4 G A 1 -6.756 -12.997 -3.655 1.00 0.00 C ATOM 0 H5' G A 1 -7.758 -14.026 -9.779 1.00 0.00 H new ATOM 0 H5'' G A 1 -6.723 -14.728 -8.551 1.00 0.00 H new ATOM 0 H4' G A 1 -9.659 -14.247 -8.087 1.00 0.00 H new ATOM 0 H3' G A 1 -7.509 -12.113 -7.930 1.00 0.00 H new ATOM 0 H2' G A 1 -8.588 -11.433 -5.755 1.00 0.00 H new ATOM 0 HO2' G A 1 -10.676 -11.609 -5.721 1.00 0.00 H new ATOM 0 HO5' G A 1 -7.733 -16.356 -9.882 1.00 0.00 H new ATOM 0 H1' G A 1 -8.958 -13.901 -4.701 1.00 0.00 H new ATOM 0 H8 G A 1 -5.627 -13.774 -6.575 1.00 0.00 H new ATOM 0 H1 G A 1 -5.466 -12.404 -0.284 1.00 0.00 H new ATOM 0 H21 G A 1 -8.938 -12.177 -0.590 1.00 0.00 H new ATOM 0 H22 G A 1 -7.529 -12.103 0.473 1.00 0.00 H new ATOM 33 P C A 2 -9.287 -10.326 -8.897 1.00 0.00 P ATOM 34 OP1 C A 2 -10.389 -10.046 -9.843 1.00 0.00 O ATOM 35 OP2 C A 2 -7.893 -10.074 -9.315 1.00 0.00 O ATOM 36 O5' C A 2 -9.520 -9.502 -7.562 1.00 0.00 O ATOM 37 C5' C A 2 -10.809 -9.203 -7.060 1.00 0.00 C ATOM 38 C4' C A 2 -10.732 -8.831 -5.572 1.00 0.00 C ATOM 39 O4' C A 2 -10.040 -9.842 -4.831 1.00 0.00 O ATOM 40 C3' C A 2 -10.020 -7.517 -5.230 1.00 0.00 C ATOM 41 O3' C A 2 -10.799 -6.333 -5.329 1.00 0.00 O ATOM 42 C2' C A 2 -9.721 -7.815 -3.771 1.00 0.00 C ATOM 43 O2' C A 2 -10.919 -7.674 -3.027 1.00 0.00 O ATOM 44 C1' C A 2 -9.296 -9.266 -3.751 1.00 0.00 C ATOM 45 N1 C A 2 -7.810 -9.352 -3.901 1.00 0.00 N ATOM 46 C2 C A 2 -7.006 -9.347 -2.752 1.00 0.00 C ATOM 47 O2 C A 2 -7.485 -9.352 -1.617 1.00 0.00 O ATOM 48 N3 C A 2 -5.650 -9.351 -2.888 1.00 0.00 N ATOM 49 C4 C A 2 -5.084 -9.289 -4.100 1.00 0.00 C ATOM 50 N4 C A 2 -3.768 -9.248 -4.178 1.00 0.00 N ATOM 51 C5 C A 2 -5.873 -9.301 -5.291 1.00 0.00 C ATOM 52 C6 C A 2 -7.215 -9.336 -5.137 1.00 0.00 C ATOM 0 H5' C A 2 -11.466 -10.062 -7.193 1.00 0.00 H new ATOM 0 H5'' C A 2 -11.244 -8.379 -7.625 1.00 0.00 H new ATOM 0 H4' C A 2 -11.783 -8.724 -5.305 1.00 0.00 H new ATOM 0 H3' C A 2 -9.194 -7.294 -5.906 1.00 0.00 H new ATOM 0 H2' C A 2 -8.963 -7.154 -3.350 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.545 -7.104 -3.520 1.00 0.00 H new ATOM 0 H1' C A 2 -9.502 -9.800 -2.824 1.00 0.00 H new ATOM 0 H41 C A 2 -3.312 -9.201 -5.089 1.00 0.00 H new ATOM 0 H42 C A 2 -3.206 -9.264 -3.327 1.00 0.00 H new ATOM 0 H5 C A 2 -5.417 -9.283 -6.270 1.00 0.00 H new ATOM 0 H6 C A 2 -7.841 -9.352 -6.017 1.00 0.00 H new ATOM 64 P A A 3 -10.124 -4.887 -5.125 1.00 0.00 P ATOM 65 OP1 A A 3 -11.169 -3.871 -5.309 1.00 0.00 O ATOM 66 OP2 A A 3 -8.914 -4.847 -5.983 1.00 0.00 O ATOM 67 O5' A A 3 -9.637 -4.833 -3.602 1.00 0.00 O ATOM 68 C5' A A 3 -10.535 -4.620 -2.521 1.00 0.00 C ATOM 69 C4' A A 3 -9.954 -5.114 -1.180 1.00 0.00 C ATOM 70 O4' A A 3 -9.094 -6.240 -1.327 1.00 0.00 O ATOM 71 C3' A A 3 -9.180 -4.069 -0.379 1.00 0.00 C ATOM 72 O3' A A 3 -10.077 -3.440 0.531 1.00 0.00 O ATOM 73 C2' A A 3 -8.203 -4.954 0.398 1.00 0.00 C ATOM 74 O2' A A 3 -8.867 -5.444 1.545 1.00 0.00 O ATOM 75 C1' A A 3 -7.921 -6.117 -0.535 1.00 0.00 C ATOM 76 N9 A A 3 -6.701 -5.913 -1.349 1.00 0.00 N ATOM 77 C8 A A 3 -6.586 -5.631 -2.687 1.00 0.00 C ATOM 78 N7 A A 3 -5.359 -5.626 -3.140 1.00 0.00 N ATOM 79 C5 A A 3 -4.610 -5.924 -2.009 1.00 0.00 C ATOM 80 C6 A A 3 -3.227 -6.087 -1.798 1.00 0.00 C ATOM 81 N6 A A 3 -2.352 -5.959 -2.788 1.00 0.00 N ATOM 82 N1 A A 3 -2.770 -6.371 -0.568 1.00 0.00 N ATOM 83 C2 A A 3 -3.664 -6.525 0.414 1.00 0.00 C ATOM 84 N3 A A 3 -4.989 -6.409 0.349 1.00 0.00 N ATOM 85 C4 A A 3 -5.409 -6.094 -0.908 1.00 0.00 C ATOM 0 H5' A A 3 -11.473 -5.137 -2.722 1.00 0.00 H new ATOM 0 H5'' A A 3 -10.767 -3.558 -2.446 1.00 0.00 H new ATOM 0 H4' A A 3 -10.857 -5.377 -0.629 1.00 0.00 H new ATOM 0 H3' A A 3 -8.705 -3.287 -0.972 1.00 0.00 H new ATOM 0 H2' A A 3 -7.298 -4.429 0.703 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.649 -4.884 1.735 1.00 0.00 H new ATOM 0 H1' A A 3 -7.711 -7.033 0.017 1.00 0.00 H new ATOM 0 H8 A A 3 -7.441 -5.429 -3.316 1.00 0.00 H new ATOM 0 H61 A A 3 -1.356 -6.082 -2.607 1.00 0.00 H new ATOM 0 H62 A A 3 -2.676 -5.737 -3.729 1.00 0.00 H new ATOM 0 H2 A A 3 -3.260 -6.775 1.384 1.00 0.00 H new ATOM 97 P G A 4 -9.717 -2.120 1.335 1.00 0.00 P ATOM 98 OP1 G A 4 -10.700 -2.095 2.435 1.00 0.00 O ATOM 99 OP2 G A 4 -9.703 -0.998 0.371 1.00 0.00 O ATOM 100 O5' G A 4 -8.272 -2.381 1.954 1.00 0.00 O ATOM 101 C5' G A 4 -8.149 -2.823 3.296 1.00 0.00 C ATOM 102 C4' G A 4 -6.772 -3.348 3.718 1.00 0.00 C ATOM 103 O4' G A 4 -6.058 -3.984 2.676 1.00 0.00 O ATOM 104 C3' G A 4 -5.884 -2.246 4.277 1.00 0.00 C ATOM 105 O3' G A 4 -6.131 -2.038 5.649 1.00 0.00 O ATOM 106 C2' G A 4 -4.503 -2.851 4.056 1.00 0.00 C ATOM 107 O2' G A 4 -4.157 -3.834 5.024 1.00 0.00 O ATOM 108 C1' G A 4 -4.706 -3.553 2.722 1.00 0.00 C ATOM 109 N9 G A 4 -4.403 -2.659 1.592 1.00 0.00 N ATOM 110 C8 G A 4 -5.245 -2.108 0.670 1.00 0.00 C ATOM 111 N7 G A 4 -4.632 -1.633 -0.389 1.00 0.00 N ATOM 112 C5 G A 4 -3.274 -1.794 -0.084 1.00 0.00 C ATOM 113 C6 G A 4 -2.083 -1.495 -0.835 1.00 0.00 C ATOM 114 O6 G A 4 -1.987 -1.135 -2.013 1.00 0.00 O ATOM 115 N1 G A 4 -0.920 -1.694 -0.097 1.00 0.00 N ATOM 116 C2 G A 4 -0.906 -2.184 1.192 1.00 0.00 C ATOM 117 N2 G A 4 0.231 -2.280 1.859 1.00 0.00 N ATOM 118 N3 G A 4 -1.993 -2.594 1.853 1.00 0.00 N ATOM 119 C4 G A 4 -3.141 -2.346 1.168 1.00 0.00 C ATOM 0 H5' G A 4 -8.882 -3.612 3.464 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.415 -1.996 3.954 1.00 0.00 H new ATOM 0 H4' G A 4 -6.999 -4.085 4.488 1.00 0.00 H new ATOM 0 H3' G A 4 -6.032 -1.270 3.815 1.00 0.00 H new ATOM 0 H2' G A 4 -3.713 -2.102 4.107 1.00 0.00 H new ATOM 0 HO2' G A 4 -4.743 -3.745 5.804 1.00 0.00 H new ATOM 0 H1' G A 4 -4.027 -4.401 2.636 1.00 0.00 H new ATOM 0 H8 G A 4 -6.316 -2.067 0.800 1.00 0.00 H new ATOM 0 H1 G A 4 -0.028 -1.464 -0.534 1.00 0.00 H new ATOM 0 H21 G A 4 0.234 -2.643 2.812 1.00 0.00 H new ATOM 0 H22 G A 4 1.105 -1.991 1.421 1.00 0.00 H new ATOM 131 P U A 5 -5.620 -0.726 6.371 1.00 0.00 P ATOM 132 OP1 U A 5 -5.943 -0.901 7.805 1.00 0.00 O ATOM 133 OP2 U A 5 -6.225 0.417 5.661 1.00 0.00 O ATOM 134 O5' U A 5 -4.039 -0.646 6.209 1.00 0.00 O ATOM 135 C5' U A 5 -3.167 -1.339 7.086 1.00 0.00 C ATOM 136 C4' U A 5 -1.704 -1.049 6.737 1.00 0.00 C ATOM 137 O4' U A 5 -1.390 -1.433 5.404 1.00 0.00 O ATOM 138 C3' U A 5 -1.339 0.432 6.848 1.00 0.00 C ATOM 139 O3' U A 5 -1.079 0.837 8.174 1.00 0.00 O ATOM 140 C2' U A 5 -0.073 0.468 5.994 1.00 0.00 C ATOM 141 O2' U A 5 1.091 0.001 6.668 1.00 0.00 O ATOM 142 C1' U A 5 -0.421 -0.525 4.888 1.00 0.00 C ATOM 143 N1 U A 5 -0.906 0.191 3.685 1.00 0.00 N ATOM 144 C2 U A 5 0.067 0.654 2.794 1.00 0.00 C ATOM 145 O2 U A 5 1.275 0.686 3.075 1.00 0.00 O ATOM 146 N3 U A 5 -0.403 1.081 1.566 1.00 0.00 N ATOM 147 C4 U A 5 -1.730 1.215 1.196 1.00 0.00 C ATOM 148 O4 U A 5 -2.028 1.538 0.051 1.00 0.00 O ATOM 149 C5 U A 5 -2.670 0.868 2.241 1.00 0.00 C ATOM 150 C6 U A 5 -2.250 0.353 3.423 1.00 0.00 C ATOM 0 H5' U A 5 -3.356 -2.411 7.022 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.366 -1.041 8.115 1.00 0.00 H new ATOM 0 H4' U A 5 -1.138 -1.631 7.464 1.00 0.00 H new ATOM 0 H3' U A 5 -2.134 1.107 6.531 1.00 0.00 H new ATOM 0 H2' U A 5 0.170 1.484 5.682 1.00 0.00 H new ATOM 0 HO2' U A 5 0.955 0.062 7.637 1.00 0.00 H new ATOM 0 H1' U A 5 0.460 -1.086 4.577 1.00 0.00 H new ATOM 0 H3 U A 5 0.297 1.321 0.864 1.00 0.00 H new ATOM 0 H5 U A 5 -3.726 1.022 2.076 1.00 0.00 H new ATOM 0 H6 U A 5 -2.977 0.066 4.168 1.00 0.00 H new ATOM 161 P G A 6 -1.027 2.372 8.579 1.00 0.00 P ATOM 162 OP1 G A 6 -0.419 2.388 9.925 1.00 0.00 O ATOM 163 OP2 G A 6 -2.369 2.971 8.419 1.00 0.00 O ATOM 164 O5' G A 6 -0.028 3.114 7.569 1.00 0.00 O ATOM 165 C5' G A 6 1.366 3.124 7.804 1.00 0.00 C ATOM 166 C4' G A 6 2.159 3.848 6.712 1.00 0.00 C ATOM 167 O4' G A 6 2.028 3.259 5.430 1.00 0.00 O ATOM 168 C3' G A 6 1.751 5.307 6.544 1.00 0.00 C ATOM 169 O3' G A 6 2.276 6.160 7.563 1.00 0.00 O ATOM 170 C2' G A 6 2.410 5.580 5.192 1.00 0.00 C ATOM 171 O2' G A 6 3.767 5.941 5.375 1.00 0.00 O ATOM 172 C1' G A 6 2.286 4.260 4.445 1.00 0.00 C ATOM 173 N9 G A 6 1.251 4.276 3.389 1.00 0.00 N ATOM 174 C8 G A 6 -0.035 3.816 3.445 1.00 0.00 C ATOM 175 N7 G A 6 -0.710 3.964 2.344 1.00 0.00 N ATOM 176 C5 G A 6 0.222 4.468 1.449 1.00 0.00 C ATOM 177 C6 G A 6 0.096 4.726 0.047 1.00 0.00 C ATOM 178 O6 G A 6 -0.900 4.621 -0.665 1.00 0.00 O ATOM 179 N1 G A 6 1.289 5.145 -0.526 1.00 0.00 N ATOM 180 C2 G A 6 2.471 5.275 0.171 1.00 0.00 C ATOM 181 N2 G A 6 3.589 5.561 -0.484 1.00 0.00 N ATOM 182 N3 G A 6 2.598 5.089 1.497 1.00 0.00 N ATOM 183 C4 G A 6 1.434 4.662 2.078 1.00 0.00 C ATOM 0 H5' G A 6 1.722 2.097 7.881 1.00 0.00 H new ATOM 0 H5'' G A 6 1.562 3.602 8.764 1.00 0.00 H new ATOM 0 H4' G A 6 3.187 3.768 7.066 1.00 0.00 H new ATOM 0 H3' G A 6 0.678 5.490 6.605 1.00 0.00 H new ATOM 0 H2' G A 6 1.946 6.403 4.648 1.00 0.00 H new ATOM 0 HO2' G A 6 3.890 6.305 6.277 1.00 0.00 H new ATOM 0 H1' G A 6 3.211 4.055 3.905 1.00 0.00 H new ATOM 0 H8 G A 6 -0.456 3.366 4.332 1.00 0.00 H new ATOM 0 H1 G A 6 1.291 5.370 -1.521 1.00 0.00 H new ATOM 0 H21 G A 6 4.467 5.659 0.025 1.00 0.00 H new ATOM 0 H22 G A 6 3.570 5.683 -1.496 1.00 0.00 H new ATOM 195 P G A 7 1.670 7.615 7.760 1.00 0.00 P ATOM 196 OP1 G A 7 2.424 8.335 8.806 1.00 0.00 O ATOM 197 OP2 G A 7 0.209 7.483 7.927 1.00 0.00 O ATOM 198 O5' G A 7 1.983 8.296 6.357 1.00 0.00 O ATOM 199 C5' G A 7 2.934 9.331 6.273 1.00 0.00 C ATOM 200 C4' G A 7 3.179 9.863 4.865 1.00 0.00 C ATOM 201 O4' G A 7 3.148 8.860 3.866 1.00 0.00 O ATOM 202 C3' G A 7 2.137 10.915 4.515 1.00 0.00 C ATOM 203 O3' G A 7 2.445 12.169 5.116 1.00 0.00 O ATOM 204 C2' G A 7 2.173 10.863 2.995 1.00 0.00 C ATOM 205 O2' G A 7 3.226 11.687 2.525 1.00 0.00 O ATOM 206 C1' G A 7 2.470 9.380 2.726 1.00 0.00 C ATOM 207 N9 G A 7 1.210 8.639 2.504 1.00 0.00 N ATOM 208 C8 G A 7 0.432 7.989 3.419 1.00 0.00 C ATOM 209 N7 G A 7 -0.654 7.464 2.921 1.00 0.00 N ATOM 210 C5 G A 7 -0.591 7.776 1.567 1.00 0.00 C ATOM 211 C6 G A 7 -1.488 7.445 0.495 1.00 0.00 C ATOM 212 O6 G A 7 -2.558 6.830 0.546 1.00 0.00 O ATOM 213 N1 G A 7 -1.010 7.884 -0.732 1.00 0.00 N ATOM 214 C2 G A 7 0.132 8.624 -0.901 1.00 0.00 C ATOM 215 N2 G A 7 0.395 9.100 -2.105 1.00 0.00 N ATOM 216 N3 G A 7 0.959 8.986 0.095 1.00 0.00 N ATOM 217 C4 G A 7 0.553 8.499 1.303 1.00 0.00 C ATOM 0 H5' G A 7 3.879 8.971 6.679 1.00 0.00 H new ATOM 0 H5'' G A 7 2.609 10.156 6.906 1.00 0.00 H new ATOM 0 H4' G A 7 4.183 10.287 4.879 1.00 0.00 H new ATOM 0 H3' G A 7 1.129 10.746 4.893 1.00 0.00 H new ATOM 0 H2' G A 7 1.264 11.211 2.505 1.00 0.00 H new ATOM 0 HO2' G A 7 3.037 12.621 2.754 1.00 0.00 H new ATOM 0 H1' G A 7 3.086 9.273 1.833 1.00 0.00 H new ATOM 0 H8 G A 7 0.693 7.916 4.464 1.00 0.00 H new ATOM 0 H1 G A 7 -1.545 7.639 -1.565 1.00 0.00 H new ATOM 0 H21 G A 7 1.237 9.654 -2.262 1.00 0.00 H new ATOM 0 H22 G A 7 -0.244 8.913 -2.878 1.00 0.00 H new ATOM 229 P C A 8 1.766 13.549 4.705 1.00 0.00 P ATOM 230 OP1 C A 8 2.565 14.096 3.588 1.00 0.00 O ATOM 231 OP2 C A 8 1.609 14.378 5.915 1.00 0.00 O ATOM 232 O5' C A 8 0.313 13.211 4.166 1.00 0.00 O ATOM 233 C5' C A 8 -0.280 14.005 3.154 1.00 0.00 C ATOM 234 C4' C A 8 -1.658 13.490 2.741 1.00 0.00 C ATOM 235 O4' C A 8 -1.619 12.119 2.366 1.00 0.00 O ATOM 236 C3' C A 8 -2.722 13.617 3.830 1.00 0.00 C ATOM 237 O3' C A 8 -3.295 14.911 3.926 1.00 0.00 O ATOM 238 C2' C A 8 -3.745 12.610 3.315 1.00 0.00 C ATOM 239 O2' C A 8 -4.501 13.172 2.249 1.00 0.00 O ATOM 240 C1' C A 8 -2.848 11.499 2.759 1.00 0.00 C ATOM 241 N1 C A 8 -2.627 10.415 3.760 1.00 0.00 N ATOM 242 C2 C A 8 -3.568 9.387 3.852 1.00 0.00 C ATOM 243 O2 C A 8 -4.616 9.429 3.207 1.00 0.00 O ATOM 244 N3 C A 8 -3.362 8.368 4.743 1.00 0.00 N ATOM 245 C4 C A 8 -2.263 8.339 5.505 1.00 0.00 C ATOM 246 N4 C A 8 -2.096 7.313 6.325 1.00 0.00 N ATOM 247 C5 C A 8 -1.318 9.418 5.481 1.00 0.00 C ATOM 248 C6 C A 8 -1.544 10.421 4.598 1.00 0.00 C ATOM 0 H5' C A 8 0.374 14.025 2.282 1.00 0.00 H new ATOM 0 H5'' C A 8 -0.370 15.032 3.508 1.00 0.00 H new ATOM 0 H4' C A 8 -1.930 14.127 1.899 1.00 0.00 H new ATOM 0 H3' C A 8 -2.335 13.444 4.834 1.00 0.00 H new ATOM 0 H2' C A 8 -4.456 12.286 4.075 1.00 0.00 H new ATOM 0 HO2' C A 8 -4.568 14.142 2.371 1.00 0.00 H new ATOM 0 HO3' C A 8 -3.967 14.919 4.640 1.00 0.00 H new ATOM 0 H1' C A 8 -3.322 11.014 1.905 1.00 0.00 H new ATOM 0 H41 C A 8 -1.268 7.264 6.918 1.00 0.00 H new ATOM 0 H42 C A 8 -2.796 6.572 6.364 1.00 0.00 H new ATOM 0 H5 C A 8 -0.462 9.431 6.139 1.00 0.00 H new ATOM 0 H6 C A 8 -0.851 11.248 4.554 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -10.220 8.443 -4.904 1.00 0.00 O ATOM 263 C5' G B 101 -8.944 7.862 -5.105 1.00 0.00 C ATOM 264 C4' G B 101 -8.034 8.866 -5.821 1.00 0.00 C ATOM 265 O4' G B 101 -7.601 9.868 -4.908 1.00 0.00 O ATOM 266 C3' G B 101 -6.790 8.208 -6.426 1.00 0.00 C ATOM 267 O3' G B 101 -6.991 7.939 -7.810 1.00 0.00 O ATOM 268 C2' G B 101 -5.745 9.307 -6.277 1.00 0.00 C ATOM 269 O2' G B 101 -5.827 10.112 -7.440 1.00 0.00 O ATOM 270 C1' G B 101 -6.205 10.099 -5.061 1.00 0.00 C ATOM 271 N9 G B 101 -5.469 9.739 -3.832 1.00 0.00 N ATOM 272 C8 G B 101 -5.782 8.785 -2.901 1.00 0.00 C ATOM 273 N7 G B 101 -5.100 8.884 -1.793 1.00 0.00 N ATOM 274 C5 G B 101 -4.203 9.922 -2.038 1.00 0.00 C ATOM 275 C6 G B 101 -3.154 10.465 -1.225 1.00 0.00 C ATOM 276 O6 G B 101 -2.801 10.156 -0.089 1.00 0.00 O ATOM 277 N1 G B 101 -2.468 11.496 -1.849 1.00 0.00 N ATOM 278 C2 G B 101 -2.801 12.005 -3.081 1.00 0.00 C ATOM 279 N2 G B 101 -2.183 13.099 -3.509 1.00 0.00 N ATOM 280 N3 G B 101 -3.768 11.510 -3.866 1.00 0.00 N ATOM 281 C4 G B 101 -4.427 10.456 -3.290 1.00 0.00 C ATOM 0 H5' G B 101 -9.036 6.952 -5.697 1.00 0.00 H new ATOM 0 H5'' G B 101 -8.507 7.577 -4.148 1.00 0.00 H new ATOM 0 H4' G B 101 -8.625 9.297 -6.629 1.00 0.00 H new ATOM 0 H3' G B 101 -6.527 7.261 -5.954 1.00 0.00 H new ATOM 0 H2' G B 101 -4.723 8.948 -6.160 1.00 0.00 H new ATOM 0 HO2' G B 101 -6.352 9.646 -8.124 1.00 0.00 H new ATOM 0 HO5' G B 101 -10.803 7.801 -4.448 1.00 0.00 H new ATOM 0 H1' G B 101 -5.999 11.157 -5.222 1.00 0.00 H new ATOM 0 H8 G B 101 -6.526 8.020 -3.069 1.00 0.00 H new ATOM 0 H1 G B 101 -1.667 11.901 -1.364 1.00 0.00 H new ATOM 0 H21 G B 101 -2.416 13.493 -4.421 1.00 0.00 H new ATOM 0 H22 G B 101 -1.475 13.546 -2.926 1.00 0.00 H new ATOM 294 P C B 102 -6.316 6.692 -8.527 1.00 0.00 P ATOM 295 OP1 C B 102 -6.827 6.694 -9.918 1.00 0.00 O ATOM 296 OP2 C B 102 -6.538 5.509 -7.683 1.00 0.00 O ATOM 297 O5' C B 102 -4.756 7.007 -8.554 1.00 0.00 O ATOM 298 C5' C B 102 -4.135 7.715 -9.611 1.00 0.00 C ATOM 299 C4' C B 102 -2.775 8.276 -9.179 1.00 0.00 C ATOM 300 O4' C B 102 -2.909 9.006 -7.968 1.00 0.00 O ATOM 301 C3' C B 102 -1.627 7.276 -9.021 1.00 0.00 C ATOM 302 O3' C B 102 -0.909 7.197 -10.246 1.00 0.00 O ATOM 303 C2' C B 102 -0.777 7.985 -7.978 1.00 0.00 C ATOM 304 O2' C B 102 0.074 8.896 -8.647 1.00 0.00 O ATOM 305 C1' C B 102 -1.804 8.718 -7.126 1.00 0.00 C ATOM 306 N1 C B 102 -2.193 8.005 -5.870 1.00 0.00 N ATOM 307 C2 C B 102 -1.724 8.510 -4.652 1.00 0.00 C ATOM 308 O2 C B 102 -0.956 9.478 -4.607 1.00 0.00 O ATOM 309 N3 C B 102 -2.115 7.931 -3.482 1.00 0.00 N ATOM 310 C4 C B 102 -2.951 6.880 -3.489 1.00 0.00 C ATOM 311 N4 C B 102 -3.328 6.332 -2.344 1.00 0.00 N ATOM 312 C5 C B 102 -3.448 6.342 -4.717 1.00 0.00 C ATOM 313 C6 C B 102 -3.033 6.918 -5.869 1.00 0.00 C ATOM 0 H5' C B 102 -4.781 8.531 -9.935 1.00 0.00 H new ATOM 0 H5'' C B 102 -4.003 7.053 -10.467 1.00 0.00 H new ATOM 0 H4' C B 102 -2.486 8.906 -10.020 1.00 0.00 H new ATOM 0 H3' C B 102 -1.926 6.262 -8.755 1.00 0.00 H new ATOM 0 H2' C B 102 -0.146 7.327 -7.380 1.00 0.00 H new ATOM 0 HO2' C B 102 0.068 8.704 -9.608 1.00 0.00 H new ATOM 0 H1' C B 102 -1.360 9.638 -6.744 1.00 0.00 H new ATOM 0 H41 C B 102 -3.963 5.534 -2.345 1.00 0.00 H new ATOM 0 H42 C B 102 -2.984 6.708 -1.461 1.00 0.00 H new ATOM 0 H5 C B 102 -4.131 5.505 -4.725 1.00 0.00 H new ATOM 0 H6 C B 102 -3.371 6.513 -6.811 1.00 0.00 H new ATOM 325 P C B 103 0.127 6.040 -10.621 1.00 0.00 P ATOM 326 OP1 C B 103 0.787 6.531 -11.853 1.00 0.00 O ATOM 327 OP2 C B 103 -0.569 4.746 -10.648 1.00 0.00 O ATOM 328 O5' C B 103 1.233 6.016 -9.466 1.00 0.00 O ATOM 329 C5' C B 103 2.613 6.185 -9.753 1.00 0.00 C ATOM 330 C4' C B 103 3.484 6.062 -8.494 1.00 0.00 C ATOM 331 O4' C B 103 2.966 6.889 -7.461 1.00 0.00 O ATOM 332 C3' C B 103 3.586 4.634 -7.943 1.00 0.00 C ATOM 333 O3' C B 103 4.641 3.880 -8.544 1.00 0.00 O ATOM 334 C2' C B 103 3.892 4.934 -6.476 1.00 0.00 C ATOM 335 O2' C B 103 5.284 5.092 -6.262 1.00 0.00 O ATOM 336 C1' C B 103 3.155 6.247 -6.207 1.00 0.00 C ATOM 337 N1 C B 103 1.858 5.984 -5.529 1.00 0.00 N ATOM 338 C2 C B 103 1.782 6.176 -4.147 1.00 0.00 C ATOM 339 O2 C B 103 2.619 6.865 -3.554 1.00 0.00 O ATOM 340 N3 C B 103 0.774 5.589 -3.448 1.00 0.00 N ATOM 341 C4 C B 103 -0.198 4.932 -4.098 1.00 0.00 C ATOM 342 N4 C B 103 -1.141 4.316 -3.416 1.00 0.00 N ATOM 343 C5 C B 103 -0.240 4.886 -5.524 1.00 0.00 C ATOM 344 C6 C B 103 0.812 5.397 -6.195 1.00 0.00 C ATOM 0 H5' C B 103 2.771 7.163 -10.209 1.00 0.00 H new ATOM 0 H5'' C B 103 2.925 5.439 -10.484 1.00 0.00 H new ATOM 0 H4' C B 103 4.483 6.372 -8.801 1.00 0.00 H new ATOM 0 H3' C B 103 2.701 4.025 -8.126 1.00 0.00 H new ATOM 0 H2' C B 103 3.579 4.126 -5.815 1.00 0.00 H new ATOM 0 HO2' C B 103 5.605 4.385 -5.664 1.00 0.00 H new ATOM 0 H1' C B 103 3.732 6.891 -5.543 1.00 0.00 H new ATOM 0 H41 C B 103 -1.882 3.816 -3.907 1.00 0.00 H new ATOM 0 H42 C B 103 -1.131 4.339 -2.396 1.00 0.00 H new ATOM 0 H5 C B 103 -1.083 4.458 -6.046 1.00 0.00 H new ATOM 0 H6 C B 103 0.832 5.343 -7.273 1.00 0.00 H new ATOM 356 P A B 104 4.814 2.299 -8.315 1.00 0.00 P ATOM 357 OP1 A B 104 5.765 1.820 -9.336 1.00 0.00 O ATOM 358 OP2 A B 104 3.483 1.663 -8.249 1.00 0.00 O ATOM 359 O5' A B 104 5.469 2.146 -6.872 1.00 0.00 O ATOM 360 C5' A B 104 6.864 2.106 -6.647 1.00 0.00 C ATOM 361 C4' A B 104 7.158 2.036 -5.140 1.00 0.00 C ATOM 362 O4' A B 104 6.310 2.916 -4.415 1.00 0.00 O ATOM 363 C3' A B 104 6.988 0.656 -4.505 1.00 0.00 C ATOM 364 O3' A B 104 8.164 -0.139 -4.613 1.00 0.00 O ATOM 365 C2' A B 104 6.721 1.056 -3.053 1.00 0.00 C ATOM 366 O2' A B 104 7.939 1.376 -2.393 1.00 0.00 O ATOM 367 C1' A B 104 5.887 2.329 -3.180 1.00 0.00 C ATOM 368 N9 A B 104 4.419 2.084 -3.191 1.00 0.00 N ATOM 369 C8 A B 104 3.577 2.042 -4.270 1.00 0.00 C ATOM 370 N7 A B 104 2.311 1.941 -3.988 1.00 0.00 N ATOM 371 C5 A B 104 2.318 1.849 -2.601 1.00 0.00 C ATOM 372 C6 A B 104 1.280 1.761 -1.653 1.00 0.00 C ATOM 373 N6 A B 104 -0.007 1.780 -1.984 1.00 0.00 N ATOM 374 N1 A B 104 1.598 1.682 -0.357 1.00 0.00 N ATOM 375 C2 A B 104 2.875 1.678 0.006 1.00 0.00 C ATOM 376 N3 A B 104 3.955 1.769 -0.783 1.00 0.00 N ATOM 377 C4 A B 104 3.602 1.847 -2.102 1.00 0.00 C ATOM 0 H5' A B 104 7.334 2.991 -7.076 1.00 0.00 H new ATOM 0 H5'' A B 104 7.296 1.241 -7.150 1.00 0.00 H new ATOM 0 H4' A B 104 8.210 2.314 -5.076 1.00 0.00 H new ATOM 0 H3' A B 104 6.216 0.042 -4.969 1.00 0.00 H new ATOM 0 H2' A B 104 6.237 0.261 -2.486 1.00 0.00 H new ATOM 0 HO2' A B 104 8.691 0.986 -2.886 1.00 0.00 H new ATOM 0 H1' A B 104 6.046 2.974 -2.316 1.00 0.00 H new ATOM 0 H8 A B 104 3.939 2.090 -5.286 1.00 0.00 H new ATOM 0 H61 A B 104 -0.721 1.713 -1.259 1.00 0.00 H new ATOM 0 H62 A B 104 -0.281 1.861 -2.963 1.00 0.00 H new ATOM 0 H2 A B 104 3.067 1.591 1.065 1.00 0.00 H new ATOM 389 P DC B 105 8.086 -1.733 -4.541 1.00 0.00 P ATOM 390 OP1 DC B 105 9.481 -2.229 -4.538 1.00 0.00 O ATOM 391 OP2 DC B 105 7.181 -2.175 -5.615 1.00 0.00 O ATOM 392 O5' DC B 105 7.451 -2.127 -3.141 1.00 0.00 O ATOM 393 C5' DC B 105 8.211 -2.058 -1.949 1.00 0.00 C ATOM 394 C4' DC B 105 7.353 -2.155 -0.686 1.00 0.00 C ATOM 395 O4' DC B 105 6.367 -1.141 -0.696 1.00 0.00 O ATOM 396 C3' DC B 105 6.655 -3.500 -0.471 1.00 0.00 C ATOM 397 O3' DC B 105 7.505 -4.383 0.251 1.00 0.00 O ATOM 398 C2' DC B 105 5.468 -3.039 0.370 1.00 0.00 C ATOM 399 C1' DC B 105 5.148 -1.648 -0.172 1.00 0.00 C ATOM 400 N1 DC B 105 4.035 -1.655 -1.172 1.00 0.00 N ATOM 401 C2 DC B 105 2.727 -1.632 -0.689 1.00 0.00 C ATOM 402 O2 DC B 105 2.504 -1.691 0.519 1.00 0.00 O ATOM 403 N3 DC B 105 1.675 -1.556 -1.556 1.00 0.00 N ATOM 404 C4 DC B 105 1.898 -1.505 -2.874 1.00 0.00 C ATOM 405 N4 DC B 105 0.855 -1.355 -3.675 1.00 0.00 N ATOM 406 C5 DC B 105 3.222 -1.580 -3.411 1.00 0.00 C ATOM 407 C6 DC B 105 4.250 -1.636 -2.528 1.00 0.00 C ATOM 0 H5' DC B 105 8.767 -1.120 -1.933 1.00 0.00 H new ATOM 0 H5'' DC B 105 8.945 -2.864 -1.946 1.00 0.00 H new ATOM 0 H4' DC B 105 8.058 -2.038 0.137 1.00 0.00 H new ATOM 0 H3' DC B 105 6.384 -4.050 -1.372 1.00 0.00 H new ATOM 0 H2' DC B 105 4.618 -3.714 0.264 1.00 0.00 H new ATOM 0 H2'' DC B 105 5.719 -3.006 1.430 1.00 0.00 H new ATOM 0 H1' DC B 105 4.772 -1.000 0.620 1.00 0.00 H new ATOM 0 H41 DC B 105 0.990 -1.312 -4.685 1.00 0.00 H new ATOM 0 H42 DC B 105 -0.083 -1.282 -3.282 1.00 0.00 H new ATOM 0 H5 DC B 105 3.396 -1.592 -4.477 1.00 0.00 H new ATOM 0 H6 DC B 105 5.263 -1.666 -2.901 1.00 0.00 H new ATOM 419 P DT B 106 7.263 -5.966 0.310 1.00 0.00 P ATOM 420 OP1 DT B 106 8.396 -6.521 1.082 1.00 0.00 O ATOM 421 OP2 DT B 106 7.034 -6.449 -1.068 1.00 0.00 O ATOM 422 O5' DT B 106 5.924 -6.188 1.147 1.00 0.00 O ATOM 423 C5' DT B 106 5.940 -6.152 2.566 1.00 0.00 C ATOM 424 C4' DT B 106 4.535 -6.287 3.159 1.00 0.00 C ATOM 425 O4' DT B 106 3.726 -5.266 2.602 1.00 0.00 O ATOM 426 C3' DT B 106 3.865 -7.626 2.839 1.00 0.00 C ATOM 427 O3' DT B 106 4.170 -8.546 3.886 1.00 0.00 O ATOM 428 C2' DT B 106 2.391 -7.227 2.834 1.00 0.00 C ATOM 429 C1' DT B 106 2.397 -5.743 2.462 1.00 0.00 C ATOM 430 N1 DT B 106 1.861 -5.464 1.106 1.00 0.00 N ATOM 431 C2 DT B 106 0.500 -5.174 1.009 1.00 0.00 C ATOM 432 O2 DT B 106 -0.266 -5.228 1.982 1.00 0.00 O ATOM 433 N3 DT B 106 0.017 -4.893 -0.260 1.00 0.00 N ATOM 434 C4 DT B 106 0.769 -4.870 -1.423 1.00 0.00 C ATOM 435 O4 DT B 106 0.206 -4.660 -2.499 1.00 0.00 O ATOM 436 C5 DT B 106 2.184 -5.165 -1.241 1.00 0.00 C ATOM 437 C7 DT B 106 3.121 -5.152 -2.436 1.00 0.00 C ATOM 438 C6 DT B 106 2.669 -5.476 -0.009 1.00 0.00 C ATOM 0 H5' DT B 106 6.386 -5.215 2.900 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.571 -6.957 2.942 1.00 0.00 H new ATOM 0 H4' DT B 106 4.635 -6.215 4.242 1.00 0.00 H new ATOM 0 H3' DT B 106 4.174 -8.110 1.913 1.00 0.00 H new ATOM 0 H2' DT B 106 1.823 -7.815 2.113 1.00 0.00 H new ATOM 0 H2'' DT B 106 1.932 -7.390 3.809 1.00 0.00 H new ATOM 0 H1' DT B 106 1.722 -5.217 3.137 1.00 0.00 H new ATOM 0 H3 DT B 106 -0.978 -4.685 -0.344 1.00 0.00 H new ATOM 0 H71 DT B 106 4.120 -4.862 -2.112 1.00 0.00 H new ATOM 0 H72 DT B 106 3.158 -6.147 -2.880 1.00 0.00 H new ATOM 0 H73 DT B 106 2.758 -4.438 -3.175 1.00 0.00 H new ATOM 0 H6 DT B 106 3.711 -5.738 0.097 1.00 0.00 H new ATOM 451 P DG B 107 3.711 -10.076 3.871 1.00 0.00 P ATOM 452 OP1 DG B 107 4.381 -10.788 4.985 1.00 0.00 O ATOM 453 OP2 DG B 107 3.914 -10.601 2.501 1.00 0.00 O ATOM 454 O5' DG B 107 2.143 -10.095 4.200 1.00 0.00 O ATOM 455 C5' DG B 107 1.653 -9.580 5.438 1.00 0.00 C ATOM 456 C4' DG B 107 0.115 -9.568 5.543 1.00 0.00 C ATOM 457 O4' DG B 107 -0.472 -9.146 4.311 1.00 0.00 O ATOM 458 C3' DG B 107 -0.496 -10.934 5.863 1.00 0.00 C ATOM 459 O3' DG B 107 -1.721 -10.752 6.563 1.00 0.00 O ATOM 460 C2' DG B 107 -0.783 -11.451 4.470 1.00 0.00 C ATOM 461 C1' DG B 107 -1.312 -10.183 3.817 1.00 0.00 C ATOM 462 N9 DG B 107 -1.256 -10.306 2.347 1.00 0.00 N ATOM 463 C8 DG B 107 -0.133 -10.540 1.611 1.00 0.00 C ATOM 464 N7 DG B 107 -0.335 -10.692 0.332 1.00 0.00 N ATOM 465 C5 DG B 107 -1.694 -10.416 0.196 1.00 0.00 C ATOM 466 C6 DG B 107 -2.461 -10.207 -0.993 1.00 0.00 C ATOM 467 O6 DG B 107 -2.071 -10.222 -2.167 1.00 0.00 O ATOM 468 N1 DG B 107 -3.792 -9.914 -0.720 1.00 0.00 N ATOM 469 C2 DG B 107 -4.324 -9.802 0.545 1.00 0.00 C ATOM 470 N2 DG B 107 -5.623 -9.541 0.651 1.00 0.00 N ATOM 471 N3 DG B 107 -3.605 -9.942 1.677 1.00 0.00 N ATOM 472 C4 DG B 107 -2.286 -10.229 1.432 1.00 0.00 C ATOM 0 H5' DG B 107 2.025 -8.564 5.570 1.00 0.00 H new ATOM 0 H5'' DG B 107 2.059 -10.177 6.255 1.00 0.00 H new ATOM 0 H4' DG B 107 -0.098 -8.881 6.362 1.00 0.00 H new ATOM 0 H3' DG B 107 0.129 -11.585 6.474 1.00 0.00 H new ATOM 0 H2' DG B 107 0.110 -11.832 3.975 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.517 -12.257 4.468 1.00 0.00 H new ATOM 0 H1' DG B 107 -2.357 -9.982 4.052 1.00 0.00 H new ATOM 0 H8 DG B 107 0.850 -10.595 2.054 1.00 0.00 H new ATOM 0 H1 DG B 107 -4.419 -9.772 -1.512 1.00 0.00 H new ATOM 0 H21 DG B 107 -6.052 -9.451 1.572 1.00 0.00 H new ATOM 0 H22 DG B 107 -6.191 -9.431 -0.189 1.00 0.00 H new ATOM 484 P DC B 108 -1.882 -11.081 8.120 1.00 0.00 P ATOM 485 OP1 DC B 108 -2.974 -10.244 8.651 1.00 0.00 O ATOM 486 OP2 DC B 108 -0.564 -11.010 8.780 1.00 0.00 O ATOM 487 O5' DC B 108 -2.369 -12.607 8.223 1.00 0.00 O ATOM 488 C5' DC B 108 -2.994 -13.215 7.112 1.00 0.00 C ATOM 489 C4' DC B 108 -3.061 -14.737 7.215 1.00 0.00 C ATOM 490 O4' DC B 108 -4.112 -15.160 6.349 1.00 0.00 O ATOM 491 C3' DC B 108 -1.783 -15.391 6.679 1.00 0.00 C ATOM 492 O3' DC B 108 -0.934 -15.828 7.717 1.00 0.00 O ATOM 493 C2' DC B 108 -2.278 -16.593 5.903 1.00 0.00 C ATOM 494 C1' DC B 108 -3.680 -16.197 5.470 1.00 0.00 C ATOM 495 N1 DC B 108 -3.647 -15.793 4.036 1.00 0.00 N ATOM 496 C2 DC B 108 -3.962 -16.750 3.066 1.00 0.00 C ATOM 497 O2 DC B 108 -4.375 -17.876 3.366 1.00 0.00 O ATOM 498 N3 DC B 108 -3.777 -16.445 1.748 1.00 0.00 N ATOM 499 C4 DC B 108 -3.287 -15.250 1.385 1.00 0.00 C ATOM 500 N4 DC B 108 -3.219 -15.011 0.090 1.00 0.00 N ATOM 501 C5 DC B 108 -2.906 -14.267 2.353 1.00 0.00 C ATOM 502 C6 DC B 108 -3.097 -14.595 3.655 1.00 0.00 C ATOM 0 H5' DC B 108 -2.453 -12.943 6.206 1.00 0.00 H new ATOM 0 H5'' DC B 108 -4.005 -12.820 7.011 1.00 0.00 H new ATOM 0 H4' DC B 108 -3.205 -15.016 8.259 1.00 0.00 H new ATOM 0 H3' DC B 108 -1.202 -14.687 6.083 1.00 0.00 H new ATOM 0 H2' DC B 108 -1.640 -16.805 5.045 1.00 0.00 H new ATOM 0 H2'' DC B 108 -2.289 -17.491 6.521 1.00 0.00 H new ATOM 0 HO3' DC B 108 -0.132 -16.240 7.332 1.00 0.00 H new ATOM 0 H1' DC B 108 -4.394 -17.018 5.538 1.00 0.00 H new ATOM 0 H41 DC B 108 -2.855 -14.119 -0.246 1.00 0.00 H new ATOM 0 H42 DC B 108 -3.530 -15.718 -0.576 1.00 0.00 H new ATOM 0 H5 DC B 108 -2.488 -13.314 2.062 1.00 0.00 H new ATOM 0 H6 DC B 108 -2.806 -13.889 4.419 1.00 0.00 H new TER 515 DC B 108