USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 G O2' : rot 180:sc= -0.404 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot 180:sc= -0.219 USER MOD Single : A 3 G O2' : rot 180:sc= -0.328 USER MOD Single : A 4 G O2' : rot -15:sc= -0.311 USER MOD Single : A 5 U O2' : rot 180:sc= -0.487 USER MOD Single : A 6 C O2' : rot -24:sc= 0.164 USER MOD Single : A 7 U O2' : rot -19:sc= -0.198 USER MOD Single : A 8 C O2' : rot -30:sc= 0.115 USER MOD Single : A 8 C O3' : rot 180:sc= 0.145 USER MOD Single : B 9 G O2' : rot -9:sc= -0.332 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 A O2' : rot -10:sc= -0.163 USER MOD Single : B 11 G O2' : rot 180:sc= -0.332 USER MOD Single : B 12 G O2' : rot -22:sc= -0.254 USER MOD Single : B 13 U O2' : rot -17:sc= 0.0937 USER MOD Single : B 14 C O2' : rot -15:sc= -0.293 USER MOD Single : B 15 U O2' : rot 180:sc= -0.427 USER MOD Single : B 16 C O2' : rot -20:sc= 0.135 USER MOD Single : B 16 C O3' : rot 180:sc= 0.131 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.656 -10.338 3.424 1.00 0.00 O ATOM 2 C5' G A 1 6.413 -9.283 4.329 1.00 0.00 C ATOM 3 C4' G A 1 7.278 -8.080 3.957 1.00 0.00 C ATOM 4 O4' G A 1 6.900 -7.542 2.690 1.00 0.00 O ATOM 5 C3' G A 1 7.101 -6.935 4.933 1.00 0.00 C ATOM 6 O3' G A 1 7.814 -7.132 6.139 1.00 0.00 O ATOM 7 C2' G A 1 7.671 -5.807 4.113 1.00 0.00 C ATOM 8 O2' G A 1 9.079 -5.900 4.081 1.00 0.00 O ATOM 9 C1' G A 1 7.131 -6.126 2.726 1.00 0.00 C ATOM 10 N9 G A 1 5.859 -5.408 2.522 1.00 0.00 N ATOM 11 C8 G A 1 4.579 -5.843 2.744 1.00 0.00 C ATOM 12 N7 G A 1 3.663 -4.959 2.462 1.00 0.00 N ATOM 13 C5 G A 1 4.388 -3.853 2.031 1.00 0.00 C ATOM 14 C6 G A 1 3.935 -2.572 1.597 1.00 0.00 C ATOM 15 O6 G A 1 2.779 -2.168 1.491 1.00 0.00 O ATOM 16 N1 G A 1 4.998 -1.736 1.274 1.00 0.00 N ATOM 17 C2 G A 1 6.330 -2.084 1.351 1.00 0.00 C ATOM 18 N2 G A 1 7.218 -1.147 1.007 1.00 0.00 N ATOM 19 N3 G A 1 6.758 -3.286 1.750 1.00 0.00 N ATOM 20 C4 G A 1 5.735 -4.117 2.074 1.00 0.00 C ATOM 0 H5' G A 1 6.637 -9.604 5.346 1.00 0.00 H new ATOM 0 H5'' G A 1 5.359 -9.007 4.307 1.00 0.00 H new ATOM 0 H4' G A 1 8.302 -8.453 3.957 1.00 0.00 H new ATOM 0 H3' G A 1 6.078 -6.785 5.277 1.00 0.00 H new ATOM 0 H2' G A 1 7.415 -4.817 4.490 1.00 0.00 H new ATOM 0 HO2' G A 1 9.443 -5.165 3.545 1.00 0.00 H new ATOM 0 HO5' G A 1 6.102 -11.110 3.665 1.00 0.00 H new ATOM 0 H1' G A 1 7.829 -5.823 1.945 1.00 0.00 H new ATOM 0 H8 G A 1 4.349 -6.829 3.119 1.00 0.00 H new ATOM 0 H1 G A 1 4.775 -0.793 0.956 1.00 0.00 H new ATOM 0 H21 G A 1 8.216 -1.352 1.046 1.00 0.00 H new ATOM 0 H22 G A 1 6.897 -0.227 0.706 1.00 0.00 H new ATOM 33 P A A 2 7.519 -6.210 7.432 1.00 0.00 P ATOM 34 OP1 A A 2 8.449 -6.615 8.509 1.00 0.00 O ATOM 35 OP2 A A 2 6.060 -6.229 7.678 1.00 0.00 O ATOM 36 O5' A A 2 7.923 -4.726 6.951 1.00 0.00 O ATOM 37 C5' A A 2 9.277 -4.340 6.835 1.00 0.00 C ATOM 38 C4' A A 2 9.348 -2.892 6.346 1.00 0.00 C ATOM 39 O4' A A 2 8.678 -2.732 5.100 1.00 0.00 O ATOM 40 C3' A A 2 8.647 -1.939 7.289 1.00 0.00 C ATOM 41 O3' A A 2 9.427 -1.653 8.438 1.00 0.00 O ATOM 42 C2' A A 2 8.476 -0.739 6.394 1.00 0.00 C ATOM 43 O2' A A 2 9.702 -0.044 6.283 1.00 0.00 O ATOM 44 C1' A A 2 8.158 -1.395 5.050 1.00 0.00 C ATOM 45 N9 A A 2 6.693 -1.421 4.833 1.00 0.00 N ATOM 46 C8 A A 2 5.806 -2.454 5.014 1.00 0.00 C ATOM 47 N7 A A 2 4.569 -2.145 4.731 1.00 0.00 N ATOM 48 C5 A A 2 4.640 -0.814 4.333 1.00 0.00 C ATOM 49 C6 A A 2 3.665 0.108 3.901 1.00 0.00 C ATOM 50 N6 A A 2 2.364 -0.192 3.797 1.00 0.00 N ATOM 51 N1 A A 2 4.076 1.349 3.580 1.00 0.00 N ATOM 52 C2 A A 2 5.369 1.647 3.683 1.00 0.00 C ATOM 53 N3 A A 2 6.376 0.875 4.073 1.00 0.00 N ATOM 54 C4 A A 2 5.931 -0.364 4.389 1.00 0.00 C ATOM 0 H5' A A 2 9.796 -4.998 6.138 1.00 0.00 H new ATOM 0 H5'' A A 2 9.779 -4.436 7.798 1.00 0.00 H new ATOM 0 H4' A A 2 10.413 -2.670 6.272 1.00 0.00 H new ATOM 0 H3' A A 2 7.716 -2.320 7.710 1.00 0.00 H new ATOM 0 H2' A A 2 7.728 -0.029 6.746 1.00 0.00 H new ATOM 0 HO2' A A 2 9.585 0.734 5.699 1.00 0.00 H new ATOM 0 H1' A A 2 8.607 -0.838 4.228 1.00 0.00 H new ATOM 0 H8 A A 2 6.104 -3.433 5.359 1.00 0.00 H new ATOM 0 H61 A A 2 1.701 0.515 3.479 1.00 0.00 H new ATOM 0 H62 A A 2 2.036 -1.128 4.036 1.00 0.00 H new ATOM 0 H2 A A 2 5.636 2.658 3.411 1.00 0.00 H new ATOM 66 P G A 3 8.766 -0.972 9.746 1.00 0.00 P ATOM 67 OP1 G A 3 9.833 -0.778 10.753 1.00 0.00 O ATOM 68 OP2 G A 3 7.557 -1.747 10.100 1.00 0.00 O ATOM 69 O5' G A 3 8.294 0.478 9.235 1.00 0.00 O ATOM 70 C5' G A 3 9.223 1.524 9.033 1.00 0.00 C ATOM 71 C4' G A 3 8.472 2.746 8.505 1.00 0.00 C ATOM 72 O4' G A 3 7.797 2.432 7.294 1.00 0.00 O ATOM 73 C3' G A 3 7.396 3.212 9.447 1.00 0.00 C ATOM 74 O3' G A 3 7.924 3.957 10.534 1.00 0.00 O ATOM 75 C2' G A 3 6.595 4.080 8.503 1.00 0.00 C ATOM 76 O2' G A 3 7.230 5.330 8.337 1.00 0.00 O ATOM 77 C1' G A 3 6.680 3.313 7.186 1.00 0.00 C ATOM 78 N9 G A 3 5.430 2.557 6.992 1.00 0.00 N ATOM 79 C8 G A 3 5.166 1.231 7.222 1.00 0.00 C ATOM 80 N7 G A 3 3.925 0.893 6.993 1.00 0.00 N ATOM 81 C5 G A 3 3.325 2.083 6.588 1.00 0.00 C ATOM 82 C6 G A 3 1.976 2.352 6.210 1.00 0.00 C ATOM 83 O6 G A 3 1.030 1.570 6.147 1.00 0.00 O ATOM 84 N1 G A 3 1.794 3.693 5.888 1.00 0.00 N ATOM 85 C2 G A 3 2.783 4.653 5.914 1.00 0.00 C ATOM 86 N2 G A 3 2.432 5.893 5.565 1.00 0.00 N ATOM 87 N3 G A 3 4.045 4.403 6.261 1.00 0.00 N ATOM 88 C4 G A 3 4.243 3.103 6.586 1.00 0.00 C ATOM 0 H5' G A 3 9.991 1.216 8.324 1.00 0.00 H new ATOM 0 H5'' G A 3 9.730 1.766 9.967 1.00 0.00 H new ATOM 0 H4' G A 3 9.231 3.518 8.375 1.00 0.00 H new ATOM 0 H3' G A 3 6.834 2.416 9.936 1.00 0.00 H new ATOM 0 H2' G A 3 5.580 4.268 8.852 1.00 0.00 H new ATOM 0 HO2' G A 3 6.705 5.885 7.723 1.00 0.00 H new ATOM 0 H1' G A 3 6.808 3.978 6.332 1.00 0.00 H new ATOM 0 H8 G A 3 5.915 0.531 7.561 1.00 0.00 H new ATOM 0 H1 G A 3 0.858 3.988 5.612 1.00 0.00 H new ATOM 0 H21 G A 3 3.127 6.640 5.568 1.00 0.00 H new ATOM 0 H22 G A 3 1.469 6.094 5.296 1.00 0.00 H new ATOM 100 P G A 4 6.962 4.519 11.709 1.00 0.00 P ATOM 101 OP1 G A 4 7.824 5.014 12.805 1.00 0.00 O ATOM 102 OP2 G A 4 5.940 3.487 11.990 1.00 0.00 O ATOM 103 O5' G A 4 6.216 5.795 11.048 1.00 0.00 O ATOM 104 C5' G A 4 6.905 7.015 10.831 1.00 0.00 C ATOM 105 C4' G A 4 5.924 8.081 10.323 1.00 0.00 C ATOM 106 O4' G A 4 5.306 7.683 9.096 1.00 0.00 O ATOM 107 C3' G A 4 4.789 8.317 11.302 1.00 0.00 C ATOM 108 O3' G A 4 5.158 9.205 12.340 1.00 0.00 O ATOM 109 C2' G A 4 3.764 8.941 10.387 1.00 0.00 C ATOM 110 O2' G A 4 4.118 10.283 10.122 1.00 0.00 O ATOM 111 C1' G A 4 3.942 8.136 9.111 1.00 0.00 C ATOM 112 N9 G A 4 3.038 6.971 9.101 1.00 0.00 N ATOM 113 C8 G A 4 3.351 5.653 9.276 1.00 0.00 C ATOM 114 N7 G A 4 2.336 4.843 9.156 1.00 0.00 N ATOM 115 C5 G A 4 1.266 5.689 8.881 1.00 0.00 C ATOM 116 C6 G A 4 -0.108 5.383 8.648 1.00 0.00 C ATOM 117 O6 G A 4 -0.650 4.281 8.629 1.00 0.00 O ATOM 118 N1 G A 4 -0.860 6.532 8.426 1.00 0.00 N ATOM 119 C2 G A 4 -0.355 7.814 8.410 1.00 0.00 C ATOM 120 N2 G A 4 -1.231 8.799 8.181 1.00 0.00 N ATOM 121 N3 G A 4 0.935 8.106 8.616 1.00 0.00 N ATOM 122 C4 G A 4 1.685 6.997 8.849 1.00 0.00 C ATOM 0 H5' G A 4 7.705 6.868 10.105 1.00 0.00 H new ATOM 0 H5'' G A 4 7.373 7.349 11.757 1.00 0.00 H new ATOM 0 H4' G A 4 6.521 8.983 10.192 1.00 0.00 H new ATOM 0 H3' G A 4 4.456 7.421 11.826 1.00 0.00 H new ATOM 0 H2' G A 4 2.753 8.935 10.794 1.00 0.00 H new ATOM 0 HO2' G A 4 4.798 10.575 10.765 1.00 0.00 H new ATOM 0 H1' G A 4 3.710 8.746 8.238 1.00 0.00 H new ATOM 0 H8 G A 4 4.352 5.311 9.495 1.00 0.00 H new ATOM 0 H1 G A 4 -1.860 6.417 8.263 1.00 0.00 H new ATOM 0 H21 G A 4 -0.914 9.768 8.158 1.00 0.00 H new ATOM 0 H22 G A 4 -2.216 8.581 8.030 1.00 0.00 H new ATOM 134 P U A 5 4.341 9.240 13.729 1.00 0.00 P ATOM 135 OP1 U A 5 4.771 10.436 14.488 1.00 0.00 O ATOM 136 OP2 U A 5 4.447 7.902 14.349 1.00 0.00 O ATOM 137 O5' U A 5 2.809 9.454 13.277 1.00 0.00 O ATOM 138 C5' U A 5 2.330 10.712 12.852 1.00 0.00 C ATOM 139 C4' U A 5 0.827 10.610 12.543 1.00 0.00 C ATOM 140 O4' U A 5 0.529 9.813 11.389 1.00 0.00 O ATOM 141 C3' U A 5 0.047 10.011 13.680 1.00 0.00 C ATOM 142 O3' U A 5 -0.167 10.936 14.729 1.00 0.00 O ATOM 143 C2' U A 5 -1.224 9.678 12.945 1.00 0.00 C ATOM 144 O2' U A 5 -1.970 10.850 12.681 1.00 0.00 O ATOM 145 C1' U A 5 -0.710 9.121 11.644 1.00 0.00 C ATOM 146 N1 U A 5 -0.442 7.669 11.764 1.00 0.00 N ATOM 147 C2 U A 5 -1.480 6.777 11.516 1.00 0.00 C ATOM 148 O2 U A 5 -2.622 7.148 11.249 1.00 0.00 O ATOM 149 N3 U A 5 -1.153 5.432 11.585 1.00 0.00 N ATOM 150 C4 U A 5 0.098 4.910 11.879 1.00 0.00 C ATOM 151 O4 U A 5 0.277 3.696 11.914 1.00 0.00 O ATOM 152 C5 U A 5 1.110 5.912 12.124 1.00 0.00 C ATOM 153 C6 U A 5 0.810 7.230 12.057 1.00 0.00 C ATOM 0 H5' U A 5 2.873 11.039 11.965 1.00 0.00 H new ATOM 0 H5'' U A 5 2.503 11.460 13.626 1.00 0.00 H new ATOM 0 H4' U A 5 0.535 11.645 12.365 1.00 0.00 H new ATOM 0 H3' U A 5 0.527 9.174 14.187 1.00 0.00 H new ATOM 0 H2' U A 5 -1.876 9.005 13.502 1.00 0.00 H new ATOM 0 HO2' U A 5 -2.792 10.614 12.202 1.00 0.00 H new ATOM 0 H1' U A 5 -1.438 9.257 10.844 1.00 0.00 H new ATOM 0 H3 U A 5 -1.902 4.764 11.403 1.00 0.00 H new ATOM 0 H5 U A 5 2.118 5.606 12.363 1.00 0.00 H new ATOM 0 H6 U A 5 1.589 7.955 12.242 1.00 0.00 H new ATOM 164 P C A 6 -0.652 10.435 16.183 1.00 0.00 P ATOM 165 OP1 C A 6 -0.899 11.628 17.024 1.00 0.00 O ATOM 166 OP2 C A 6 0.291 9.393 16.644 1.00 0.00 O ATOM 167 O5' C A 6 -2.064 9.730 15.885 1.00 0.00 O ATOM 168 C5' C A 6 -3.213 10.495 15.598 1.00 0.00 C ATOM 169 C4' C A 6 -4.380 9.553 15.303 1.00 0.00 C ATOM 170 O4' C A 6 -4.117 8.715 14.182 1.00 0.00 O ATOM 171 C3' C A 6 -4.663 8.619 16.460 1.00 0.00 C ATOM 172 O3' C A 6 -5.404 9.269 17.475 1.00 0.00 O ATOM 173 C2' C A 6 -5.462 7.547 15.765 1.00 0.00 C ATOM 174 O2' C A 6 -6.791 7.989 15.574 1.00 0.00 O ATOM 175 C1' C A 6 -4.768 7.456 14.404 1.00 0.00 C ATOM 176 N1 C A 6 -3.767 6.360 14.408 1.00 0.00 N ATOM 177 C2 C A 6 -4.243 5.068 14.237 1.00 0.00 C ATOM 178 O2 C A 6 -5.445 4.870 14.082 1.00 0.00 O ATOM 179 N3 C A 6 -3.349 4.042 14.248 1.00 0.00 N ATOM 180 C4 C A 6 -2.041 4.270 14.428 1.00 0.00 C ATOM 181 N4 C A 6 -1.199 3.232 14.438 1.00 0.00 N ATOM 182 C5 C A 6 -1.532 5.598 14.596 1.00 0.00 C ATOM 183 C6 C A 6 -2.429 6.608 14.571 1.00 0.00 C ATOM 0 H5' C A 6 -3.028 11.144 14.742 1.00 0.00 H new ATOM 0 H5'' C A 6 -3.455 11.141 16.442 1.00 0.00 H new ATOM 0 H4' C A 6 -5.229 10.210 15.113 1.00 0.00 H new ATOM 0 H3' C A 6 -3.779 8.247 16.978 1.00 0.00 H new ATOM 0 H2' C A 6 -5.504 6.606 16.314 1.00 0.00 H new ATOM 0 HO2' C A 6 -7.006 8.675 16.240 1.00 0.00 H new ATOM 0 H1' C A 6 -5.490 7.243 13.615 1.00 0.00 H new ATOM 0 H41 C A 6 -0.200 3.387 14.574 1.00 0.00 H new ATOM 0 H42 C A 6 -1.555 2.285 14.310 1.00 0.00 H new ATOM 0 H5 C A 6 -0.477 5.784 14.737 1.00 0.00 H new ATOM 0 H6 C A 6 -2.086 7.626 14.681 1.00 0.00 H new ATOM 195 P U A 7 -5.680 8.550 18.885 1.00 0.00 P ATOM 196 OP1 U A 7 -6.427 9.492 19.748 1.00 0.00 O ATOM 197 OP2 U A 7 -4.402 7.974 19.360 1.00 0.00 O ATOM 198 O5' U A 7 -6.664 7.340 18.497 1.00 0.00 O ATOM 199 C5' U A 7 -6.672 6.163 19.267 1.00 0.00 C ATOM 200 C4' U A 7 -7.657 5.148 18.688 1.00 0.00 C ATOM 201 O4' U A 7 -7.315 4.787 17.341 1.00 0.00 O ATOM 202 C3' U A 7 -7.594 3.871 19.505 1.00 0.00 C ATOM 203 O3' U A 7 -8.484 3.894 20.605 1.00 0.00 O ATOM 204 C2' U A 7 -7.983 2.841 18.483 1.00 0.00 C ATOM 205 O2' U A 7 -9.376 2.887 18.256 1.00 0.00 O ATOM 206 C1' U A 7 -7.267 3.356 17.246 1.00 0.00 C ATOM 207 N1 U A 7 -5.849 2.903 17.191 1.00 0.00 N ATOM 208 C2 U A 7 -5.616 1.552 16.972 1.00 0.00 C ATOM 209 O2 U A 7 -6.530 0.738 16.865 1.00 0.00 O ATOM 210 N3 U A 7 -4.289 1.167 16.871 1.00 0.00 N ATOM 211 C4 U A 7 -3.188 2.005 16.947 1.00 0.00 C ATOM 212 O4 U A 7 -2.050 1.550 16.860 1.00 0.00 O ATOM 213 C5 U A 7 -3.522 3.405 17.119 1.00 0.00 C ATOM 214 C6 U A 7 -4.810 3.803 17.230 1.00 0.00 C ATOM 0 H5' U A 7 -6.945 6.397 20.296 1.00 0.00 H new ATOM 0 H5'' U A 7 -5.671 5.732 19.293 1.00 0.00 H new ATOM 0 H4' U A 7 -8.646 5.607 18.710 1.00 0.00 H new ATOM 0 H3' U A 7 -6.623 3.691 19.966 1.00 0.00 H new ATOM 0 H2' U A 7 -7.735 1.819 18.768 1.00 0.00 H new ATOM 0 HO2' U A 7 -9.815 3.340 19.006 1.00 0.00 H new ATOM 0 H1' U A 7 -7.746 2.977 16.343 1.00 0.00 H new ATOM 0 H3 U A 7 -4.105 0.174 16.727 1.00 0.00 H new ATOM 0 H5 U A 7 -2.732 4.140 17.159 1.00 0.00 H new ATOM 0 H6 U A 7 -5.028 4.854 17.352 1.00 0.00 H new ATOM 225 P C A 8 -8.261 2.914 21.865 1.00 0.00 P ATOM 226 OP1 C A 8 -9.407 3.079 22.787 1.00 0.00 O ATOM 227 OP2 C A 8 -6.884 3.121 22.364 1.00 0.00 O ATOM 228 O5' C A 8 -8.340 1.437 21.230 1.00 0.00 O ATOM 229 C5' C A 8 -9.574 0.868 20.850 1.00 0.00 C ATOM 230 C4' C A 8 -9.332 -0.560 20.358 1.00 0.00 C ATOM 231 O4' C A 8 -8.490 -0.585 19.207 1.00 0.00 O ATOM 232 C3' C A 8 -8.604 -1.392 21.389 1.00 0.00 C ATOM 233 O3' C A 8 -9.450 -1.840 22.427 1.00 0.00 O ATOM 234 C2' C A 8 -8.107 -2.520 20.538 1.00 0.00 C ATOM 235 O2' C A 8 -9.164 -3.413 20.249 1.00 0.00 O ATOM 236 C1' C A 8 -7.699 -1.786 19.266 1.00 0.00 C ATOM 237 N1 C A 8 -6.250 -1.458 19.341 1.00 0.00 N ATOM 238 C2 C A 8 -5.348 -2.504 19.186 1.00 0.00 C ATOM 239 O2 C A 8 -5.754 -3.645 18.975 1.00 0.00 O ATOM 240 N3 C A 8 -4.017 -2.228 19.274 1.00 0.00 N ATOM 241 C4 C A 8 -3.586 -0.981 19.509 1.00 0.00 C ATOM 242 N4 C A 8 -2.270 -0.753 19.573 1.00 0.00 N ATOM 243 C5 C A 8 -4.504 0.104 19.684 1.00 0.00 C ATOM 244 C6 C A 8 -5.819 -0.186 19.588 1.00 0.00 C ATOM 0 H5' C A 8 -10.037 1.464 20.064 1.00 0.00 H new ATOM 0 H5'' C A 8 -10.263 0.864 21.695 1.00 0.00 H new ATOM 0 H4' C A 8 -10.324 -0.957 20.144 1.00 0.00 H new ATOM 0 H3' C A 8 -7.824 -0.851 21.925 1.00 0.00 H new ATOM 0 H2' C A 8 -7.314 -3.109 20.998 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.808 -3.407 20.987 1.00 0.00 H new ATOM 0 HO3' C A 8 -8.931 -2.374 23.065 1.00 0.00 H new ATOM 0 H1' C A 8 -7.865 -2.391 18.375 1.00 0.00 H new ATOM 0 H41 C A 8 -1.924 0.190 19.751 1.00 0.00 H new ATOM 0 H42 C A 8 -1.612 -1.522 19.444 1.00 0.00 H new ATOM 0 H5 C A 8 -4.160 1.108 19.884 1.00 0.00 H new ATOM 0 H6 C A 8 -6.545 0.604 19.709 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.776 -8.936 16.080 1.00 0.00 O ATOM 259 C5' G B 9 3.223 -10.215 16.294 1.00 0.00 C ATOM 260 C4' G B 9 1.743 -10.091 16.662 1.00 0.00 C ATOM 261 O4' G B 9 1.565 -9.335 17.856 1.00 0.00 O ATOM 262 C3' G B 9 0.936 -9.356 15.610 1.00 0.00 C ATOM 263 O3' G B 9 0.644 -10.167 14.488 1.00 0.00 O ATOM 264 C2' G B 9 -0.301 -9.030 16.411 1.00 0.00 C ATOM 265 O2' G B 9 -1.115 -10.178 16.533 1.00 0.00 O ATOM 266 C1' G B 9 0.281 -8.694 17.780 1.00 0.00 C ATOM 267 N9 G B 9 0.437 -7.232 17.900 1.00 0.00 N ATOM 268 C8 G B 9 1.544 -6.461 17.667 1.00 0.00 C ATOM 269 N7 G B 9 1.354 -5.186 17.864 1.00 0.00 N ATOM 270 C5 G B 9 0.018 -5.104 18.246 1.00 0.00 C ATOM 271 C6 G B 9 -0.771 -3.964 18.581 1.00 0.00 C ATOM 272 O6 G B 9 -0.428 -2.785 18.628 1.00 0.00 O ATOM 273 N1 G B 9 -2.082 -4.320 18.876 1.00 0.00 N ATOM 274 C2 G B 9 -2.575 -5.608 18.863 1.00 0.00 C ATOM 275 N2 G B 9 -3.867 -5.761 19.169 1.00 0.00 N ATOM 276 N3 G B 9 -1.835 -6.679 18.561 1.00 0.00 N ATOM 277 C4 G B 9 -0.553 -6.353 18.261 1.00 0.00 C ATOM 0 H5' G B 9 3.763 -10.725 17.092 1.00 0.00 H new ATOM 0 H5'' G B 9 3.333 -10.823 15.396 1.00 0.00 H new ATOM 0 H4' G B 9 1.401 -11.121 16.768 1.00 0.00 H new ATOM 0 H3' G B 9 1.440 -8.496 15.169 1.00 0.00 H new ATOM 0 H2' G B 9 -0.910 -8.242 15.969 1.00 0.00 H new ATOM 0 HO2' G B 9 -0.773 -10.885 15.948 1.00 0.00 H new ATOM 0 HO5' G B 9 4.724 -9.024 15.847 1.00 0.00 H new ATOM 0 H1' G B 9 -0.370 -9.036 18.585 1.00 0.00 H new ATOM 0 H8 G B 9 2.490 -6.872 17.348 1.00 0.00 H new ATOM 0 H1 G B 9 -2.729 -3.571 19.121 1.00 0.00 H new ATOM 0 H21 G B 9 -4.283 -6.692 19.174 1.00 0.00 H new ATOM 0 H22 G B 9 -4.437 -4.946 19.397 1.00 0.00 H new ATOM 290 P A B 10 0.115 -9.510 13.110 1.00 0.00 P ATOM 291 OP1 A B 10 -0.165 -10.606 12.156 1.00 0.00 O ATOM 292 OP2 A B 10 1.055 -8.432 12.733 1.00 0.00 O ATOM 293 O5' A B 10 -1.287 -8.828 13.516 1.00 0.00 O ATOM 294 C5' A B 10 -2.452 -9.606 13.706 1.00 0.00 C ATOM 295 C4' A B 10 -3.617 -8.683 14.072 1.00 0.00 C ATOM 296 O4' A B 10 -3.332 -7.932 15.245 1.00 0.00 O ATOM 297 C3' A B 10 -3.870 -7.642 13.006 1.00 0.00 C ATOM 298 O3' A B 10 -4.548 -8.178 11.881 1.00 0.00 O ATOM 299 C2' A B 10 -4.712 -6.659 13.776 1.00 0.00 C ATOM 300 O2' A B 10 -6.034 -7.143 13.881 1.00 0.00 O ATOM 301 C1' A B 10 -4.063 -6.701 15.160 1.00 0.00 C ATOM 302 N9 A B 10 -3.152 -5.548 15.334 1.00 0.00 N ATOM 303 C8 A B 10 -1.782 -5.507 15.255 1.00 0.00 C ATOM 304 N7 A B 10 -1.276 -4.323 15.472 1.00 0.00 N ATOM 305 C5 A B 10 -2.389 -3.522 15.711 1.00 0.00 C ATOM 306 C6 A B 10 -2.535 -2.153 16.012 1.00 0.00 C ATOM 307 N6 A B 10 -1.502 -1.312 16.131 1.00 0.00 N ATOM 308 N1 A B 10 -3.785 -1.681 16.187 1.00 0.00 N ATOM 309 C2 A B 10 -4.812 -2.518 16.070 1.00 0.00 C ATOM 310 N3 A B 10 -4.805 -3.817 15.796 1.00 0.00 N ATOM 311 C4 A B 10 -3.537 -4.261 15.626 1.00 0.00 C ATOM 0 H5' A B 10 -2.290 -10.339 14.497 1.00 0.00 H new ATOM 0 H5'' A B 10 -2.684 -10.163 12.798 1.00 0.00 H new ATOM 0 H4' A B 10 -4.473 -9.345 14.201 1.00 0.00 H new ATOM 0 H3' A B 10 -2.969 -7.213 12.567 1.00 0.00 H new ATOM 0 H2' A B 10 -4.758 -5.669 13.323 1.00 0.00 H new ATOM 0 HO2' A B 10 -6.144 -7.922 13.297 1.00 0.00 H new ATOM 0 H1' A B 10 -4.818 -6.645 15.944 1.00 0.00 H new ATOM 0 H8 A B 10 -1.178 -6.375 15.034 1.00 0.00 H new ATOM 0 H61 A B 10 -1.667 -0.330 16.350 1.00 0.00 H new ATOM 0 H62 A B 10 -0.549 -1.653 16.002 1.00 0.00 H new ATOM 0 H2 A B 10 -5.788 -2.080 16.219 1.00 0.00 H new ATOM 323 P G B 11 -4.629 -7.362 10.489 1.00 0.00 P ATOM 324 OP1 G B 11 -5.413 -8.169 9.527 1.00 0.00 O ATOM 325 OP2 G B 11 -3.259 -6.929 10.137 1.00 0.00 O ATOM 326 O5' G B 11 -5.485 -6.051 10.855 1.00 0.00 O ATOM 327 C5' G B 11 -6.889 -6.110 11.011 1.00 0.00 C ATOM 328 C4' G B 11 -7.391 -4.720 11.403 1.00 0.00 C ATOM 329 O4' G B 11 -6.766 -4.284 12.604 1.00 0.00 O ATOM 330 C3' G B 11 -7.044 -3.675 10.378 1.00 0.00 C ATOM 331 O3' G B 11 -7.907 -3.721 9.253 1.00 0.00 O ATOM 332 C2' G B 11 -7.265 -2.434 11.209 1.00 0.00 C ATOM 333 O2' G B 11 -8.646 -2.156 11.301 1.00 0.00 O ATOM 334 C1' G B 11 -6.764 -2.857 12.587 1.00 0.00 C ATOM 335 N9 G B 11 -5.402 -2.328 12.782 1.00 0.00 N ATOM 336 C8 G B 11 -4.191 -2.952 12.620 1.00 0.00 C ATOM 337 N7 G B 11 -3.165 -2.174 12.831 1.00 0.00 N ATOM 338 C5 G B 11 -3.737 -0.945 13.150 1.00 0.00 C ATOM 339 C6 G B 11 -3.122 0.300 13.474 1.00 0.00 C ATOM 340 O6 G B 11 -1.924 0.562 13.557 1.00 0.00 O ATOM 341 N1 G B 11 -4.068 1.290 13.715 1.00 0.00 N ATOM 342 C2 G B 11 -5.434 1.109 13.659 1.00 0.00 C ATOM 343 N2 G B 11 -6.196 2.173 13.922 1.00 0.00 N ATOM 344 N3 G B 11 -6.012 -0.056 13.363 1.00 0.00 N ATOM 345 C4 G B 11 -5.106 -1.035 13.120 1.00 0.00 C ATOM 0 H5' G B 11 -7.155 -6.839 11.777 1.00 0.00 H new ATOM 0 H5'' G B 11 -7.360 -6.436 10.084 1.00 0.00 H new ATOM 0 H4' G B 11 -8.472 -4.820 11.504 1.00 0.00 H new ATOM 0 H3' G B 11 -6.052 -3.771 9.936 1.00 0.00 H new ATOM 0 H2' G B 11 -6.772 -1.552 10.800 1.00 0.00 H new ATOM 0 HO2' G B 11 -8.782 -1.350 11.842 1.00 0.00 H new ATOM 0 H1' G B 11 -7.393 -2.472 13.390 1.00 0.00 H new ATOM 0 H8 G B 11 -4.096 -3.992 12.343 1.00 0.00 H new ATOM 0 H1 G B 11 -3.726 2.221 13.951 1.00 0.00 H new ATOM 0 H21 G B 11 -7.212 2.092 13.894 1.00 0.00 H new ATOM 0 H22 G B 11 -5.762 3.067 14.151 1.00 0.00 H new ATOM 357 P G B 12 -7.708 -2.710 8.005 1.00 0.00 P ATOM 358 OP1 G B 12 -8.585 -3.165 6.904 1.00 0.00 O ATOM 359 OP2 G B 12 -6.254 -2.562 7.770 1.00 0.00 O ATOM 360 O5' G B 12 -8.274 -1.290 8.538 1.00 0.00 O ATOM 361 C5' G B 12 -9.667 -1.063 8.677 1.00 0.00 C ATOM 362 C4' G B 12 -9.916 0.401 9.072 1.00 0.00 C ATOM 363 O4' G B 12 -9.280 0.726 10.311 1.00 0.00 O ATOM 364 C3' G B 12 -9.348 1.366 8.048 1.00 0.00 C ATOM 365 O3' G B 12 -10.220 1.551 6.949 1.00 0.00 O ATOM 366 C2' G B 12 -9.245 2.619 8.881 1.00 0.00 C ATOM 367 O2' G B 12 -10.528 3.190 9.040 1.00 0.00 O ATOM 368 C1' G B 12 -8.791 2.076 10.225 1.00 0.00 C ATOM 369 N9 G B 12 -7.319 2.070 10.316 1.00 0.00 N ATOM 370 C8 G B 12 -6.469 1.006 10.230 1.00 0.00 C ATOM 371 N7 G B 12 -5.215 1.307 10.417 1.00 0.00 N ATOM 372 C5 G B 12 -5.233 2.681 10.640 1.00 0.00 C ATOM 373 C6 G B 12 -4.158 3.579 10.908 1.00 0.00 C ATOM 374 O6 G B 12 -2.962 3.324 11.016 1.00 0.00 O ATOM 375 N1 G B 12 -4.606 4.888 11.047 1.00 0.00 N ATOM 376 C2 G B 12 -5.923 5.285 10.963 1.00 0.00 C ATOM 377 N2 G B 12 -6.166 6.591 11.120 1.00 0.00 N ATOM 378 N3 G B 12 -6.937 4.443 10.728 1.00 0.00 N ATOM 379 C4 G B 12 -6.519 3.160 10.573 1.00 0.00 C ATOM 0 H5' G B 12 -10.080 -1.729 9.434 1.00 0.00 H new ATOM 0 H5'' G B 12 -10.177 -1.289 7.741 1.00 0.00 H new ATOM 0 H4' G B 12 -10.999 0.500 9.144 1.00 0.00 H new ATOM 0 H3' G B 12 -8.414 1.036 7.592 1.00 0.00 H new ATOM 0 H2' G B 12 -8.590 3.377 8.451 1.00 0.00 H new ATOM 0 HO2' G B 12 -11.117 2.876 8.323 1.00 0.00 H new ATOM 0 H1' G B 12 -9.172 2.697 11.035 1.00 0.00 H new ATOM 0 H8 G B 12 -6.807 0.001 10.025 1.00 0.00 H new ATOM 0 H1 G B 12 -3.907 5.609 11.225 1.00 0.00 H new ATOM 0 H21 G B 12 -7.122 6.942 11.068 1.00 0.00 H new ATOM 0 H22 G B 12 -5.395 7.236 11.292 1.00 0.00 H new ATOM 391 P U B 13 -9.671 2.122 5.545 1.00 0.00 P ATOM 392 OP1 U B 13 -10.836 2.469 4.701 1.00 0.00 O ATOM 393 OP2 U B 13 -8.656 1.173 5.038 1.00 0.00 O ATOM 394 O5' U B 13 -8.915 3.486 5.946 1.00 0.00 O ATOM 395 C5' U B 13 -9.626 4.667 6.250 1.00 0.00 C ATOM 396 C4' U B 13 -8.631 5.802 6.541 1.00 0.00 C ATOM 397 O4' U B 13 -7.891 5.620 7.756 1.00 0.00 O ATOM 398 C3' U B 13 -7.605 5.959 5.451 1.00 0.00 C ATOM 399 O3' U B 13 -8.125 6.611 4.307 1.00 0.00 O ATOM 400 C2' U B 13 -6.617 6.819 6.189 1.00 0.00 C ATOM 401 O2' U B 13 -7.131 8.126 6.336 1.00 0.00 O ATOM 402 C1' U B 13 -6.569 6.159 7.546 1.00 0.00 C ATOM 403 N1 U B 13 -5.586 5.051 7.566 1.00 0.00 N ATOM 404 C2 U B 13 -4.266 5.333 7.902 1.00 0.00 C ATOM 405 O2 U B 13 -3.868 6.476 8.124 1.00 0.00 O ATOM 406 N3 U B 13 -3.412 4.243 7.977 1.00 0.00 N ATOM 407 C4 U B 13 -3.756 2.920 7.746 1.00 0.00 C ATOM 408 O4 U B 13 -2.918 2.029 7.845 1.00 0.00 O ATOM 409 C5 U B 13 -5.145 2.726 7.398 1.00 0.00 C ATOM 410 C6 U B 13 -5.994 3.777 7.324 1.00 0.00 C ATOM 0 H5' U B 13 -10.271 4.504 7.113 1.00 0.00 H new ATOM 0 H5'' U B 13 -10.272 4.940 5.416 1.00 0.00 H new ATOM 0 H4' U B 13 -9.268 6.683 6.618 1.00 0.00 H new ATOM 0 H3' U B 13 -7.212 5.028 5.043 1.00 0.00 H new ATOM 0 H2' U B 13 -5.652 6.901 5.689 1.00 0.00 H new ATOM 0 HO2' U B 13 -7.869 8.260 5.706 1.00 0.00 H new ATOM 0 H1' U B 13 -6.273 6.871 8.316 1.00 0.00 H new ATOM 0 H3 U B 13 -2.441 4.432 8.225 1.00 0.00 H new ATOM 0 H5 U B 13 -5.510 1.730 7.195 1.00 0.00 H new ATOM 0 H6 U B 13 -7.027 3.598 7.065 1.00 0.00 H new ATOM 421 P C B 14 -7.361 6.517 2.888 1.00 0.00 P ATOM 422 OP1 C B 14 -8.065 7.393 1.925 1.00 0.00 O ATOM 423 OP2 C B 14 -7.164 5.086 2.571 1.00 0.00 O ATOM 424 O5' C B 14 -5.920 7.162 3.193 1.00 0.00 O ATOM 425 C5' C B 14 -5.751 8.558 3.285 1.00 0.00 C ATOM 426 C4' C B 14 -4.303 8.865 3.667 1.00 0.00 C ATOM 427 O4' C B 14 -3.955 8.286 4.924 1.00 0.00 O ATOM 428 C3' C B 14 -3.312 8.296 2.677 1.00 0.00 C ATOM 429 O3' C B 14 -3.221 9.060 1.491 1.00 0.00 O ATOM 430 C2' C B 14 -2.057 8.383 3.506 1.00 0.00 C ATOM 431 O2' C B 14 -1.631 9.727 3.591 1.00 0.00 O ATOM 432 C1' C B 14 -2.561 7.944 4.876 1.00 0.00 C ATOM 433 N1 C B 14 -2.373 6.480 5.027 1.00 0.00 N ATOM 434 C2 C B 14 -1.086 6.038 5.291 1.00 0.00 C ATOM 435 O2 C B 14 -0.177 6.849 5.444 1.00 0.00 O ATOM 436 N3 C B 14 -0.865 4.698 5.369 1.00 0.00 N ATOM 437 C4 C B 14 -1.863 3.824 5.189 1.00 0.00 C ATOM 438 N4 C B 14 -1.597 2.516 5.263 1.00 0.00 N ATOM 439 C5 C B 14 -3.201 4.265 4.928 1.00 0.00 C ATOM 440 C6 C B 14 -3.408 5.598 4.864 1.00 0.00 C ATOM 0 H5' C B 14 -6.431 8.970 4.030 1.00 0.00 H new ATOM 0 H5'' C B 14 -5.996 9.030 2.333 1.00 0.00 H new ATOM 0 H4' C B 14 -4.250 9.953 3.693 1.00 0.00 H new ATOM 0 H3' C B 14 -3.559 7.302 2.304 1.00 0.00 H new ATOM 0 H2' C B 14 -1.226 7.799 3.112 1.00 0.00 H new ATOM 0 HO2' C B 14 -2.096 10.261 2.913 1.00 0.00 H new ATOM 0 H1' C B 14 -2.017 8.432 5.685 1.00 0.00 H new ATOM 0 H41 C B 14 -2.345 1.835 5.129 1.00 0.00 H new ATOM 0 H42 C B 14 -0.647 2.199 5.454 1.00 0.00 H new ATOM 0 H5 C B 14 -4.009 3.562 4.789 1.00 0.00 H new ATOM 0 H6 C B 14 -4.404 5.974 4.682 1.00 0.00 H new ATOM 452 P U B 15 -2.502 8.459 0.177 1.00 0.00 P ATOM 453 OP1 U B 15 -2.523 9.499 -0.875 1.00 0.00 O ATOM 454 OP2 U B 15 -3.093 7.130 -0.095 1.00 0.00 O ATOM 455 O5' U B 15 -0.971 8.238 0.631 1.00 0.00 O ATOM 456 C5' U B 15 -0.089 9.331 0.777 1.00 0.00 C ATOM 457 C4' U B 15 1.310 8.817 1.125 1.00 0.00 C ATOM 458 O4' U B 15 1.320 8.070 2.347 1.00 0.00 O ATOM 459 C3' U B 15 1.842 7.860 0.078 1.00 0.00 C ATOM 460 O3' U B 15 2.317 8.515 -1.083 1.00 0.00 O ATOM 461 C2' U B 15 2.961 7.225 0.858 1.00 0.00 C ATOM 462 O2' U B 15 4.050 8.120 0.954 1.00 0.00 O ATOM 463 C1' U B 15 2.345 7.062 2.238 1.00 0.00 C ATOM 464 N1 U B 15 1.773 5.696 2.399 1.00 0.00 N ATOM 465 C2 U B 15 2.668 4.661 2.640 1.00 0.00 C ATOM 466 O2 U B 15 3.882 4.846 2.699 1.00 0.00 O ATOM 467 N3 U B 15 2.121 3.403 2.815 1.00 0.00 N ATOM 468 C4 U B 15 0.775 3.086 2.768 1.00 0.00 C ATOM 469 O4 U B 15 0.401 1.926 2.927 1.00 0.00 O ATOM 470 C5 U B 15 -0.092 4.222 2.529 1.00 0.00 C ATOM 471 C6 U B 15 0.420 5.466 2.358 1.00 0.00 C ATOM 0 H5' U B 15 -0.448 9.999 1.560 1.00 0.00 H new ATOM 0 H5'' U B 15 -0.056 9.911 -0.146 1.00 0.00 H new ATOM 0 H4' U B 15 1.922 9.716 1.197 1.00 0.00 H new ATOM 0 H3' U B 15 1.097 7.172 -0.320 1.00 0.00 H new ATOM 0 H2' U B 15 3.330 6.301 0.412 1.00 0.00 H new ATOM 0 HO2' U B 15 4.774 7.701 1.464 1.00 0.00 H new ATOM 0 H1' U B 15 3.092 7.182 3.023 1.00 0.00 H new ATOM 0 H3 U B 15 2.770 2.637 2.996 1.00 0.00 H new ATOM 0 H5 U B 15 -1.161 4.076 2.486 1.00 0.00 H new ATOM 0 H6 U B 15 -0.251 6.294 2.186 1.00 0.00 H new ATOM 482 P C B 16 2.686 7.670 -2.413 1.00 0.00 P ATOM 483 OP1 C B 16 3.166 8.619 -3.442 1.00 0.00 O ATOM 484 OP2 C B 16 1.545 6.779 -2.715 1.00 0.00 O ATOM 485 O5' C B 16 3.932 6.746 -1.965 1.00 0.00 O ATOM 486 C5' C B 16 5.231 7.287 -1.833 1.00 0.00 C ATOM 487 C4' C B 16 6.214 6.180 -1.436 1.00 0.00 C ATOM 488 O4' C B 16 5.859 5.569 -0.199 1.00 0.00 O ATOM 489 C3' C B 16 6.233 5.038 -2.427 1.00 0.00 C ATOM 490 O3' C B 16 6.935 5.353 -3.610 1.00 0.00 O ATOM 491 C2' C B 16 6.941 3.990 -1.619 1.00 0.00 C ATOM 492 O2' C B 16 8.323 4.277 -1.581 1.00 0.00 O ATOM 493 C1' C B 16 6.338 4.212 -0.232 1.00 0.00 C ATOM 494 N1 C B 16 5.219 3.254 -0.018 1.00 0.00 N ATOM 495 C2 C B 16 5.550 1.943 0.306 1.00 0.00 C ATOM 496 O2 C B 16 6.727 1.614 0.431 1.00 0.00 O ATOM 497 N3 C B 16 4.539 1.044 0.476 1.00 0.00 N ATOM 498 C4 C B 16 3.258 1.414 0.333 1.00 0.00 C ATOM 499 N4 C B 16 2.296 0.504 0.518 1.00 0.00 N ATOM 500 C5 C B 16 2.904 2.758 -0.009 1.00 0.00 C ATOM 501 C6 C B 16 3.916 3.636 -0.169 1.00 0.00 C ATOM 0 H5' C B 16 5.232 8.075 -1.080 1.00 0.00 H new ATOM 0 H5'' C B 16 5.542 7.743 -2.773 1.00 0.00 H new ATOM 0 H4' C B 16 7.178 6.687 -1.385 1.00 0.00 H new ATOM 0 H3' C B 16 5.248 4.749 -2.793 1.00 0.00 H new ATOM 0 H2' C B 16 6.832 2.976 -2.003 1.00 0.00 H new ATOM 0 HO2' C B 16 8.553 4.875 -2.322 1.00 0.00 H new ATOM 0 HO3' C B 16 6.919 4.582 -4.215 1.00 0.00 H new ATOM 0 H1' C B 16 7.073 4.048 0.556 1.00 0.00 H new ATOM 0 H41 C B 16 1.317 0.769 0.413 1.00 0.00 H new ATOM 0 H42 C B 16 2.542 -0.455 0.764 1.00 0.00 H new ATOM 0 H5 C B 16 1.873 3.056 -0.133 1.00 0.00 H new ATOM 0 H6 C B 16 3.691 4.662 -0.422 1.00 0.00 H new TER 514 C B 16