USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 133 hydrogens (42 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 DG O5' : rot 180:sc= 0 USER MOD Single : A 5 U5P O3' : rot 180:sc= -0.0108 USER MOD Single : A 6 U5P O3' : rot 34:sc= 0.259 USER MOD Single : A 7 C5P O3' : rot 102:sc= 0.0976 USER MOD Single : A 8 5GP O3' : rot 102:sc= 0.282 USER MOD Single : A 10 DT C7 :methyl 150:sc= -1.84! (180deg=-1.84!) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.523 -9.742 4.389 1.00 0.00 O ATOM 2 C5' DG A 1 4.946 -11.056 4.484 1.00 0.00 C ATOM 3 C4' DG A 1 3.447 -11.057 4.232 1.00 0.00 C ATOM 4 O4' DG A 1 2.764 -10.184 5.174 1.00 0.00 O ATOM 5 C3' DG A 1 3.124 -10.556 2.825 1.00 0.00 C ATOM 6 O3' DG A 1 2.219 -11.473 2.164 1.00 0.00 O ATOM 7 C2' DG A 1 2.491 -9.219 3.044 1.00 0.00 C ATOM 8 C1' DG A 1 1.951 -9.242 4.442 1.00 0.00 C ATOM 9 N9 DG A 1 1.995 -7.906 5.053 1.00 0.00 N ATOM 10 C8 DG A 1 3.035 -7.058 5.208 1.00 0.00 C ATOM 11 N7 DG A 1 2.804 -5.928 5.791 1.00 0.00 N ATOM 12 C5 DG A 1 1.432 -6.026 6.062 1.00 0.00 C ATOM 13 C6 DG A 1 0.550 -5.108 6.696 1.00 0.00 C ATOM 14 O6 DG A 1 0.798 -3.997 7.159 1.00 0.00 O ATOM 15 N1 DG A 1 -0.739 -5.609 6.759 1.00 0.00 N ATOM 16 C2 DG A 1 -1.140 -6.833 6.278 1.00 0.00 C ATOM 17 N2 DG A 1 -2.419 -7.136 6.423 1.00 0.00 N ATOM 18 N3 DG A 1 -0.328 -7.698 5.686 1.00 0.00 N ATOM 19 C4 DG A 1 0.936 -7.239 5.609 1.00 0.00 C ATOM 0 H5' DG A 1 5.144 -11.465 5.475 1.00 0.00 H new ATOM 0 H5'' DG A 1 5.432 -11.715 3.764 1.00 0.00 H new ATOM 0 H4' DG A 1 3.109 -12.086 4.351 1.00 0.00 H new ATOM 0 H3' DG A 1 4.003 -10.486 2.184 1.00 0.00 H new ATOM 0 H2' DG A 1 3.219 -8.417 2.920 1.00 0.00 H new ATOM 0 H2'' DG A 1 1.695 -9.041 2.321 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.486 -9.795 4.561 1.00 0.00 H new ATOM 0 H1' DG A 1 0.903 -9.541 4.453 1.00 0.00 H new ATOM 0 H8 DG A 1 4.024 -7.315 4.857 1.00 0.00 H new ATOM 0 H1 DG A 1 -1.449 -5.023 7.198 1.00 0.00 H new ATOM 0 H21 DG A 1 -2.773 -8.031 6.085 1.00 0.00 H new ATOM 0 H22 DG A 1 -3.052 -6.475 6.873 1.00 0.00 H new ATOM 32 P DG A 2 1.318 -11.034 0.887 1.00 0.00 P ATOM 33 OP1 DG A 2 0.903 -12.260 0.172 1.00 0.00 O ATOM 34 OP2 DG A 2 2.034 -9.963 0.156 1.00 0.00 O ATOM 35 O5' DG A 2 0.005 -10.380 1.576 1.00 0.00 O ATOM 36 C5' DG A 2 -1.064 -11.217 2.074 1.00 0.00 C ATOM 37 C4' DG A 2 -2.387 -10.474 2.251 1.00 0.00 C ATOM 38 O4' DG A 2 -2.271 -9.398 3.222 1.00 0.00 O ATOM 39 C3' DG A 2 -2.861 -9.856 0.936 1.00 0.00 C ATOM 40 O3' DG A 2 -4.178 -10.322 0.586 1.00 0.00 O ATOM 41 C2' DG A 2 -2.858 -8.383 1.182 1.00 0.00 C ATOM 42 C1' DG A 2 -2.858 -8.198 2.670 1.00 0.00 C ATOM 43 N9 DG A 2 -2.069 -7.016 3.045 1.00 0.00 N ATOM 44 C8 DG A 2 -0.744 -6.812 2.924 1.00 0.00 C ATOM 45 N7 DG A 2 -0.264 -5.697 3.354 1.00 0.00 N ATOM 46 C5 DG A 2 -1.415 -5.059 3.824 1.00 0.00 C ATOM 47 C6 DG A 2 -1.570 -3.786 4.425 1.00 0.00 C ATOM 48 O6 DG A 2 -0.709 -2.950 4.684 1.00 0.00 O ATOM 49 N1 DG A 2 -2.890 -3.537 4.743 1.00 0.00 N ATOM 50 C2 DG A 2 -3.941 -4.396 4.517 1.00 0.00 C ATOM 51 N2 DG A 2 -5.137 -3.972 4.886 1.00 0.00 N ATOM 52 N3 DG A 2 -3.811 -5.593 3.958 1.00 0.00 N ATOM 53 C4 DG A 2 -2.529 -5.864 3.635 1.00 0.00 C ATOM 0 H5' DG A 2 -0.765 -11.644 3.031 1.00 0.00 H new ATOM 0 H5'' DG A 2 -1.213 -12.050 1.387 1.00 0.00 H new ATOM 0 H4' DG A 2 -3.105 -11.217 2.599 1.00 0.00 H new ATOM 0 H3' DG A 2 -2.218 -10.132 0.101 1.00 0.00 H new ATOM 0 H2' DG A 2 -1.981 -7.917 0.733 1.00 0.00 H new ATOM 0 H2'' DG A 2 -3.733 -7.913 0.733 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.867 -8.038 3.050 1.00 0.00 H new ATOM 0 H8 DG A 2 -0.104 -7.560 2.480 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.104 -2.642 5.182 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.955 -4.565 4.744 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.242 -3.052 5.313 1.00 0.00 H new ATOM 65 P DA A 3 -4.941 -9.767 -0.730 1.00 0.00 P ATOM 66 OP1 DA A 3 -6.133 -10.612 -0.961 1.00 0.00 O ATOM 67 OP2 DA A 3 -3.943 -9.592 -1.810 1.00 0.00 O ATOM 68 O5' DA A 3 -5.442 -8.297 -0.263 1.00 0.00 O ATOM 69 C5' DA A 3 -6.679 -8.134 0.452 1.00 0.00 C ATOM 70 C4' DA A 3 -7.149 -6.672 0.494 1.00 0.00 C ATOM 71 O4' DA A 3 -6.254 -5.837 1.280 1.00 0.00 O ATOM 72 C3' DA A 3 -7.229 -6.065 -0.906 1.00 0.00 C ATOM 73 O3' DA A 3 -8.557 -5.595 -1.195 1.00 0.00 O ATOM 74 C2' DA A 3 -6.249 -4.936 -0.890 1.00 0.00 C ATOM 75 C1' DA A 3 -5.993 -4.616 0.555 1.00 0.00 C ATOM 76 N9 DA A 3 -4.606 -4.168 0.765 1.00 0.00 N ATOM 77 C8 DA A 3 -3.450 -4.792 0.449 1.00 0.00 C ATOM 78 N7 DA A 3 -2.349 -4.210 0.771 1.00 0.00 N ATOM 79 C5 DA A 3 -2.817 -3.041 1.379 1.00 0.00 C ATOM 80 C6 DA A 3 -2.164 -1.954 1.958 1.00 0.00 C ATOM 81 N6 DA A 3 -0.843 -1.864 2.034 1.00 0.00 N ATOM 82 N1 DA A 3 -2.925 -0.967 2.462 1.00 0.00 N ATOM 83 C2 DA A 3 -4.259 -1.047 2.400 1.00 0.00 C ATOM 84 N3 DA A 3 -4.980 -2.034 1.874 1.00 0.00 N ATOM 85 C4 DA A 3 -4.192 -3.006 1.377 1.00 0.00 C ATOM 0 H5' DA A 3 -6.557 -8.502 1.471 1.00 0.00 H new ATOM 0 H5'' DA A 3 -7.449 -8.746 -0.018 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.138 -6.694 0.953 1.00 0.00 H new ATOM 0 H3' DA A 3 -6.999 -6.796 -1.681 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.325 -5.217 -1.395 1.00 0.00 H new ATOM 0 H2'' DA A 3 -6.648 -4.068 -1.415 1.00 0.00 H new ATOM 0 H1' DA A 3 -6.631 -3.801 0.898 1.00 0.00 H new ATOM 0 H8 DA A 3 -3.450 -5.746 -0.056 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.412 -1.048 2.467 1.00 0.00 H new ATOM 0 H62 DA A 3 -0.259 -2.611 1.659 1.00 0.00 H new ATOM 0 H2 DA A 3 -4.811 -0.221 2.823 1.00 0.00 H new ATOM 97 P DC A 4 -8.902 -4.887 -2.608 1.00 0.00 P ATOM 98 OP1 DC A 4 -10.375 -4.828 -2.743 1.00 0.00 O ATOM 99 OP2 DC A 4 -8.093 -5.536 -3.664 1.00 0.00 O ATOM 100 O5' DC A 4 -8.347 -3.381 -2.397 1.00 0.00 O ATOM 101 C5' DC A 4 -9.137 -2.405 -1.698 1.00 0.00 C ATOM 102 C4' DC A 4 -8.499 -1.010 -1.708 1.00 0.00 C ATOM 103 O4' DC A 4 -7.238 -0.983 -0.983 1.00 0.00 O ATOM 104 C3' DC A 4 -8.217 -0.518 -3.132 1.00 0.00 C ATOM 105 O3' DC A 4 -8.923 0.715 -3.400 1.00 0.00 O ATOM 106 C2' DC A 4 -6.735 -0.319 -3.170 1.00 0.00 C ATOM 107 C1' DC A 4 -6.297 -0.200 -1.739 1.00 0.00 C ATOM 108 N1 DC A 4 -4.902 -0.668 -1.539 1.00 0.00 N ATOM 109 C2 DC A 4 -4.004 0.224 -0.969 1.00 0.00 C ATOM 110 O2 DC A 4 -4.363 1.356 -0.655 1.00 0.00 O ATOM 111 N3 DC A 4 -2.723 -0.186 -0.772 1.00 0.00 N ATOM 112 C4 DC A 4 -2.331 -1.414 -1.115 1.00 0.00 C ATOM 113 N4 DC A 4 -1.067 -1.769 -0.901 1.00 0.00 N ATOM 114 C5 DC A 4 -3.246 -2.340 -1.703 1.00 0.00 C ATOM 115 C6 DC A 4 -4.515 -1.929 -1.898 1.00 0.00 C ATOM 0 H5' DC A 4 -9.278 -2.728 -0.667 1.00 0.00 H new ATOM 0 H5'' DC A 4 -10.126 -2.351 -2.153 1.00 0.00 H new ATOM 0 H4' DC A 4 -9.225 -0.358 -1.223 1.00 0.00 H new ATOM 0 H3' DC A 4 -8.554 -1.222 -3.893 1.00 0.00 H new ATOM 0 H2' DC A 4 -6.241 -1.158 -3.661 1.00 0.00 H new ATOM 0 H2'' DC A 4 -6.476 0.578 -3.733 1.00 0.00 H new ATOM 0 H1' DC A 4 -6.290 0.840 -1.414 1.00 0.00 H new ATOM 0 H41 DC A 4 -0.750 -2.704 -1.157 1.00 0.00 H new ATOM 0 H42 DC A 4 -0.415 -1.106 -0.481 1.00 0.00 H new ATOM 0 H5 DC A 4 -2.932 -3.335 -1.982 1.00 0.00 H new ATOM 0 H6 DC A 4 -5.233 -2.603 -2.342 1.00 0.00 H new HETATM 127 N1 U5P A 5 -3.426 3.097 -3.351 1.00 0.00 N HETATM 128 C2 U5P A 5 -2.095 3.018 -2.989 1.00 0.00 C HETATM 129 N3 U5P A 5 -1.421 1.889 -3.395 1.00 0.00 N HETATM 130 C4 U5P A 5 -1.944 0.843 -4.120 1.00 0.00 C HETATM 131 C5 U5P A 5 -3.338 1.001 -4.459 1.00 0.00 C HETATM 132 C6 U5P A 5 -4.025 2.103 -4.072 1.00 0.00 C HETATM 133 O2 U5P A 5 -1.538 3.897 -2.343 1.00 0.00 O HETATM 134 O4 U5P A 5 -1.240 -0.113 -4.424 1.00 0.00 O HETATM 135 C1' U5P A 5 -4.189 4.292 -2.923 1.00 0.00 C HETATM 136 C2' U5P A 5 -4.405 5.252 -4.087 1.00 0.00 C HETATM 137 O2' U5P A 5 -4.115 6.605 -3.686 1.00 0.00 O HETATM 138 C3' U5P A 5 -5.855 5.099 -4.451 1.00 0.00 C HETATM 139 C4' U5P A 5 -6.511 4.628 -3.169 1.00 0.00 C HETATM 140 O3' U5P A 5 -6.421 6.336 -4.917 1.00 0.00 O HETATM 141 O4' U5P A 5 -5.499 3.912 -2.427 1.00 0.00 O HETATM 142 C5' U5P A 5 -7.745 3.761 -3.441 1.00 0.00 C HETATM 143 O5' U5P A 5 -7.439 2.599 -4.229 1.00 0.00 O HETATM 144 P U5P A 5 -8.620 1.606 -4.722 1.00 0.00 P HETATM 145 O1P U5P A 5 -9.819 2.422 -5.010 1.00 0.00 O HETATM 146 O2P U5P A 5 -8.067 0.718 -5.771 1.00 0.00 O HETATM 0 HO3' U5P A 5 -7.364 6.199 -5.146 1.00 0.00 H new HETATM 0 H5'2 U5P A 5 -8.181 3.448 -2.492 1.00 0.00 H new HETATM 0 H5'1 U5P A 5 -8.498 4.358 -3.957 1.00 0.00 H new HETATM 0 HN3 U5P A 5 -0.438 1.821 -3.133 1.00 0.00 H new HETATM 0 H6 U5P A 5 -5.077 2.198 -4.341 1.00 0.00 H new HETATM 0 H5 U5P A 5 -3.844 0.225 -5.033 1.00 0.00 H new HETATM 0 H4' U5P A 5 -6.882 5.476 -2.593 1.00 0.00 H new HETATM 0 H3' U5P A 5 -6.004 4.399 -5.273 1.00 0.00 H new HETATM 0 H2' U5P A 5 -3.750 5.033 -4.930 1.00 0.00 H new HETATM 0 H1' U5P A 5 -3.606 4.776 -2.139 1.00 0.00 H new HETATM 157 N1 U5P A 6 0.659 4.451 -5.382 1.00 0.00 N HETATM 158 C2 U5P A 6 1.479 3.343 -5.500 1.00 0.00 C HETATM 159 N3 U5P A 6 0.928 2.247 -6.120 1.00 0.00 N HETATM 160 C4 U5P A 6 -0.351 2.153 -6.628 1.00 0.00 C HETATM 161 C5 U5P A 6 -1.141 3.352 -6.464 1.00 0.00 C HETATM 162 C6 U5P A 6 -0.622 4.447 -5.856 1.00 0.00 C HETATM 163 O2 U5P A 6 2.631 3.330 -5.082 1.00 0.00 O HETATM 164 O4 U5P A 6 -0.733 1.119 -7.163 1.00 0.00 O HETATM 165 C1' U5P A 6 1.205 5.655 -4.740 1.00 0.00 C HETATM 166 C2' U5P A 6 1.160 6.819 -5.698 1.00 0.00 C HETATM 167 O2' U5P A 6 2.400 6.947 -6.399 1.00 0.00 O HETATM 168 C3' U5P A 6 0.869 8.016 -4.852 1.00 0.00 C HETATM 169 C4' U5P A 6 0.245 7.466 -3.579 1.00 0.00 C HETATM 170 O3' U5P A 6 2.065 8.750 -4.571 1.00 0.00 O HETATM 171 O4' U5P A 6 0.405 6.028 -3.600 1.00 0.00 O HETATM 172 C5' U5P A 6 -1.231 7.853 -3.486 1.00 0.00 C HETATM 173 O5' U5P A 6 -1.964 7.457 -4.657 1.00 0.00 O HETATM 174 P U5P A 6 -3.559 7.686 -4.743 1.00 0.00 P HETATM 175 O1P U5P A 6 -3.867 9.042 -4.233 1.00 0.00 O HETATM 176 O2P U5P A 6 -4.017 7.286 -6.095 1.00 0.00 O HETATM 0 HO3' U5P A 6 2.669 8.699 -5.341 1.00 0.00 H new HETATM 0 H5'2 U5P A 6 -1.674 7.387 -2.606 1.00 0.00 H new HETATM 0 H5'1 U5P A 6 -1.316 8.931 -3.352 1.00 0.00 H new HETATM 0 HN3 U5P A 6 1.522 1.423 -6.214 1.00 0.00 H new HETATM 0 H6 U5P A 6 -1.238 5.339 -5.744 1.00 0.00 H new HETATM 0 H5 U5P A 6 -2.166 3.376 -6.833 1.00 0.00 H new HETATM 0 H4' U5P A 6 0.738 7.886 -2.702 1.00 0.00 H new HETATM 0 H3' U5P A 6 0.201 8.716 -5.355 1.00 0.00 H new HETATM 0 H2' U5P A 6 0.400 6.690 -6.468 1.00 0.00 H new HETATM 0 H1' U5P A 6 2.228 5.429 -4.439 1.00 0.00 H new HETATM 187 P C5P A 7 2.653 6.082 -7.734 1.00 0.00 P HETATM 188 O1P C5P A 7 3.235 6.981 -8.754 1.00 0.00 O HETATM 189 O2P C5P A 7 1.418 5.325 -8.043 1.00 0.00 O HETATM 190 O5' C5P A 7 3.786 5.029 -7.287 1.00 0.00 O HETATM 191 C5' C5P A 7 4.286 4.077 -8.239 1.00 0.00 C HETATM 192 C4' C5P A 7 5.808 3.986 -8.193 1.00 0.00 C HETATM 193 O4' C5P A 7 6.366 5.315 -8.139 1.00 0.00 O HETATM 194 C3' C5P A 7 6.305 3.218 -6.971 1.00 0.00 C HETATM 195 O3' C5P A 7 7.181 2.149 -7.358 1.00 0.00 O HETATM 196 C2' C5P A 7 7.014 4.232 -6.115 1.00 0.00 C HETATM 197 O2' C5P A 7 8.267 3.713 -5.624 1.00 0.00 O HETATM 198 C1' C5P A 7 7.279 5.415 -7.029 1.00 0.00 C HETATM 199 N1 C5P A 7 7.020 6.669 -6.297 1.00 0.00 N HETATM 200 C2 C5P A 7 8.060 7.576 -6.141 1.00 0.00 C HETATM 201 N3 C5P A 7 7.808 8.728 -5.458 1.00 0.00 N HETATM 202 C4 C5P A 7 6.594 8.977 -4.953 1.00 0.00 C HETATM 203 C5 C5P A 7 5.521 8.043 -5.112 1.00 0.00 C HETATM 204 C6 C5P A 7 5.776 6.914 -5.785 1.00 0.00 C HETATM 205 O2 C5P A 7 9.171 7.337 -6.610 1.00 0.00 O HETATM 206 N4 C5P A 7 6.386 10.113 -4.296 1.00 0.00 N HETATM 0 HO3' C5P A 7 8.111 2.417 -7.205 1.00 0.00 H new HETATM 0 HN42 C5P A 7 5.465 10.315 -3.906 1.00 0.00 H new HETATM 0 HN41 C5P A 7 7.147 10.783 -4.182 1.00 0.00 H new HETATM 0 H5'2 C5P A 7 3.856 3.097 -8.035 1.00 0.00 H new HETATM 0 H5'1 C5P A 7 3.968 4.362 -9.242 1.00 0.00 H new HETATM 0 H2'1 C5P A 7 6.415 4.499 -5.245 1.00 0.00 H new HETATM 0 H6 C5P A 7 4.982 6.181 -5.927 1.00 0.00 H new HETATM 0 H5 C5P A 7 4.532 8.244 -4.700 1.00 0.00 H new HETATM 0 H4' C5P A 7 6.125 3.455 -9.091 1.00 0.00 H new HETATM 0 H3' C5P A 7 5.485 2.749 -6.427 1.00 0.00 H new HETATM 0 H1' C5P A 7 8.313 5.413 -7.374 1.00 0.00 H new HETATM 218 P 5GP A 8 8.326 2.598 -4.464 1.00 0.00 P HETATM 219 O2P 5GP A 8 7.227 1.630 -4.694 1.00 0.00 O HETATM 220 O3P 5GP A 8 9.720 2.112 -4.358 1.00 0.00 O HETATM 221 O5' 5GP A 8 7.987 3.457 -3.145 1.00 0.00 O HETATM 222 C5' 5GP A 8 8.737 4.649 -2.828 1.00 0.00 C HETATM 223 C4' 5GP A 8 8.064 5.488 -1.757 1.00 0.00 C HETATM 224 O4' 5GP A 8 6.736 5.878 -2.171 1.00 0.00 O HETATM 225 C3' 5GP A 8 7.919 4.695 -0.472 1.00 0.00 C HETATM 226 O3' 5GP A 8 9.013 4.946 0.418 1.00 0.00 O HETATM 227 C2' 5GP A 8 6.617 5.160 0.107 1.00 0.00 C HETATM 228 O2' 5GP A 8 6.823 6.263 1.015 1.00 0.00 O HETATM 229 C1' 5GP A 8 5.801 5.598 -1.103 1.00 0.00 C HETATM 230 N9 5GP A 8 4.868 4.539 -1.532 1.00 0.00 N HETATM 231 C8 5GP A 8 5.134 3.320 -2.066 1.00 0.00 C HETATM 232 N7 5GP A 8 4.134 2.581 -2.400 1.00 0.00 N HETATM 233 C5 5GP A 8 3.050 3.397 -2.051 1.00 0.00 C HETATM 234 C6 5GP A 8 1.654 3.163 -2.169 1.00 0.00 C HETATM 235 O6 5GP A 8 1.074 2.175 -2.614 1.00 0.00 O HETATM 236 N1 5GP A 8 0.922 4.238 -1.704 1.00 0.00 N HETATM 237 C2 5GP A 8 1.448 5.393 -1.189 1.00 0.00 C HETATM 238 N2 5GP A 8 0.573 6.302 -0.792 1.00 0.00 N HETATM 239 N3 5GP A 8 2.752 5.630 -1.070 1.00 0.00 N HETATM 240 C4 5GP A 8 3.496 4.597 -1.518 1.00 0.00 C HETATM 0 HO3' 5GP A 8 8.730 5.572 1.116 1.00 0.00 H new HETATM 0 HN22 5GP A 8 0.898 7.185 -0.399 1.00 0.00 H new HETATM 0 HN21 5GP A 8 -0.427 6.120 -0.879 1.00 0.00 H new HETATM 0 H5'2 5GP A 8 9.735 4.368 -2.492 1.00 0.00 H new HETATM 0 H5'1 5GP A 8 8.861 5.248 -3.730 1.00 0.00 H new HETATM 0 HN1 5GP A 8 -0.094 4.166 -1.748 1.00 0.00 H new HETATM 0 H8 5GP A 8 6.159 2.978 -2.207 1.00 0.00 H new HETATM 0 H4' 5GP A 8 8.688 6.368 -1.599 1.00 0.00 H new HETATM 0 H3' 5GP A 8 7.929 3.619 -0.643 1.00 0.00 H new HETATM 0 H2' 5GP A 8 6.118 4.382 0.685 1.00 0.00 H new HETATM 0 H1' 5GP A 8 5.207 6.476 -0.849 1.00 0.00 H new ATOM 252 P DG A 9 6.153 6.269 2.486 1.00 0.00 P ATOM 253 OP1 DG A 9 6.646 7.458 3.224 1.00 0.00 O ATOM 254 OP2 DG A 9 6.313 4.920 3.074 1.00 0.00 O ATOM 255 O5' DG A 9 4.587 6.486 2.158 1.00 0.00 O ATOM 256 C5' DG A 9 4.041 7.805 1.935 1.00 0.00 C ATOM 257 C4' DG A 9 2.539 7.870 2.185 1.00 0.00 C ATOM 258 O4' DG A 9 1.836 6.940 1.324 1.00 0.00 O ATOM 259 C3' DG A 9 2.204 7.500 3.628 1.00 0.00 C ATOM 260 O3' DG A 9 1.314 8.472 4.211 1.00 0.00 O ATOM 261 C2' DG A 9 1.554 6.166 3.529 1.00 0.00 C ATOM 262 C1' DG A 9 1.029 6.055 2.130 1.00 0.00 C ATOM 263 N9 DG A 9 1.130 4.671 1.652 1.00 0.00 N ATOM 264 C8 DG A 9 2.211 3.865 1.601 1.00 0.00 C ATOM 265 N7 DG A 9 2.044 2.666 1.152 1.00 0.00 N ATOM 266 C5 DG A 9 0.673 2.661 0.863 1.00 0.00 C ATOM 267 C6 DG A 9 -0.150 1.628 0.336 1.00 0.00 C ATOM 268 O6 DG A 9 0.164 0.486 0.011 1.00 0.00 O ATOM 269 N1 DG A 9 -1.462 2.047 0.203 1.00 0.00 N ATOM 270 C2 DG A 9 -1.937 3.296 0.533 1.00 0.00 C ATOM 271 N2 DG A 9 -3.225 3.508 0.332 1.00 0.00 N ATOM 272 N3 DG A 9 -1.179 4.269 1.027 1.00 0.00 N ATOM 273 C4 DG A 9 0.108 3.891 1.168 1.00 0.00 C ATOM 0 H5' DG A 9 4.248 8.111 0.909 1.00 0.00 H new ATOM 0 H5'' DG A 9 4.545 8.518 2.588 1.00 0.00 H new ATOM 0 H4' DG A 9 2.228 8.894 1.978 1.00 0.00 H new ATOM 0 H3' DG A 9 3.086 7.479 4.269 1.00 0.00 H new ATOM 0 H2' DG A 9 2.267 5.370 3.741 1.00 0.00 H new ATOM 0 H2'' DG A 9 0.747 6.072 4.255 1.00 0.00 H new ATOM 0 H1' DG A 9 -0.024 6.330 2.077 1.00 0.00 H new ATOM 0 H8 DG A 9 3.182 4.211 1.924 1.00 0.00 H new ATOM 0 H1 DG A 9 -2.132 1.375 -0.170 1.00 0.00 H new ATOM 0 H21 DG A 9 -3.634 4.415 0.558 1.00 0.00 H new ATOM 0 H22 DG A 9 -3.811 2.765 -0.049 1.00 0.00 H new ATOM 285 P DT A 10 0.655 8.254 5.674 1.00 0.00 P ATOM 286 OP1 DT A 10 0.134 9.558 6.143 1.00 0.00 O ATOM 287 OP2 DT A 10 1.617 7.503 6.513 1.00 0.00 O ATOM 288 O5' DT A 10 -0.605 7.283 5.367 1.00 0.00 O ATOM 289 C5' DT A 10 -1.830 7.813 4.830 1.00 0.00 C ATOM 290 C4' DT A 10 -2.991 6.807 4.893 1.00 0.00 C ATOM 291 O4' DT A 10 -2.744 5.644 4.055 1.00 0.00 O ATOM 292 C3' DT A 10 -3.229 6.302 6.316 1.00 0.00 C ATOM 293 O3' DT A 10 -4.576 6.579 6.745 1.00 0.00 O ATOM 294 C2' DT A 10 -2.982 4.830 6.244 1.00 0.00 C ATOM 295 C1' DT A 10 -3.091 4.454 4.794 1.00 0.00 C ATOM 296 N1 DT A 10 -2.188 3.333 4.447 1.00 0.00 N ATOM 297 C2 DT A 10 -2.748 2.198 3.883 1.00 0.00 C ATOM 298 O2 DT A 10 -3.955 2.074 3.704 1.00 0.00 O ATOM 299 N3 DT A 10 -1.867 1.201 3.536 1.00 0.00 N ATOM 300 C4 DT A 10 -0.500 1.228 3.695 1.00 0.00 C ATOM 301 O4 DT A 10 0.186 0.278 3.331 1.00 0.00 O ATOM 302 C5 DT A 10 -0.001 2.444 4.295 1.00 0.00 C ATOM 303 C7 DT A 10 1.497 2.607 4.542 1.00 0.00 C ATOM 304 C6 DT A 10 -0.840 3.436 4.646 1.00 0.00 C ATOM 0 H5' DT A 10 -1.669 8.111 3.794 1.00 0.00 H new ATOM 0 H5'' DT A 10 -2.104 8.713 5.381 1.00 0.00 H new ATOM 0 H4' DT A 10 -3.867 7.349 4.536 1.00 0.00 H new ATOM 0 H3' DT A 10 -2.577 6.793 7.039 1.00 0.00 H new ATOM 0 H2' DT A 10 -1.996 4.582 6.637 1.00 0.00 H new ATOM 0 H2'' DT A 10 -3.711 4.284 6.843 1.00 0.00 H new ATOM 0 H1' DT A 10 -4.097 4.108 4.555 1.00 0.00 H new ATOM 0 H3 DT A 10 -2.265 0.359 3.120 1.00 0.00 H new ATOM 0 H71 DT A 10 1.764 3.662 4.478 1.00 0.00 H new ATOM 0 H72 DT A 10 1.745 2.230 5.534 1.00 0.00 H new ATOM 0 H73 DT A 10 2.053 2.046 3.791 1.00 0.00 H new ATOM 0 H6 DT A 10 -0.439 4.333 5.095 1.00 0.00 H new ATOM 317 P DC A 11 -5.133 6.040 8.165 1.00 0.00 P ATOM 318 OP1 DC A 11 -6.371 6.783 8.486 1.00 0.00 O ATOM 319 OP2 DC A 11 -4.011 6.026 9.132 1.00 0.00 O ATOM 320 O5' DC A 11 -5.530 4.505 7.835 1.00 0.00 O ATOM 321 C5' DC A 11 -6.764 4.201 7.167 1.00 0.00 C ATOM 322 C4' DC A 11 -7.047 2.695 7.105 1.00 0.00 C ATOM 323 O4' DC A 11 -6.056 1.991 6.308 1.00 0.00 O ATOM 324 C3' DC A 11 -7.051 2.056 8.496 1.00 0.00 C ATOM 325 O3' DC A 11 -8.324 1.441 8.784 1.00 0.00 O ATOM 326 C2' DC A 11 -5.956 1.040 8.451 1.00 0.00 C ATOM 327 C1' DC A 11 -5.681 0.783 6.998 1.00 0.00 C ATOM 328 N1 DC A 11 -4.260 0.447 6.763 1.00 0.00 N ATOM 329 C2 DC A 11 -3.979 -0.748 6.118 1.00 0.00 C ATOM 330 O2 DC A 11 -4.887 -1.505 5.780 1.00 0.00 O ATOM 331 N3 DC A 11 -2.679 -1.061 5.877 1.00 0.00 N ATOM 332 C4 DC A 11 -1.692 -0.245 6.251 1.00 0.00 C ATOM 333 N4 DC A 11 -0.434 -0.593 5.990 1.00 0.00 N ATOM 334 C5 DC A 11 -1.971 0.987 6.919 1.00 0.00 C ATOM 335 C6 DC A 11 -3.263 1.292 7.155 1.00 0.00 C ATOM 0 H5' DC A 11 -6.733 4.603 6.154 1.00 0.00 H new ATOM 0 H5'' DC A 11 -7.584 4.700 7.683 1.00 0.00 H new ATOM 0 H4' DC A 11 -8.032 2.603 6.648 1.00 0.00 H new ATOM 0 H3' DC A 11 -6.894 2.791 9.285 1.00 0.00 H new ATOM 0 H2' DC A 11 -5.063 1.408 8.957 1.00 0.00 H new ATOM 0 H2'' DC A 11 -6.255 0.123 8.959 1.00 0.00 H new ATOM 0 H1' DC A 11 -6.248 -0.075 6.636 1.00 0.00 H new ATOM 0 H41 DC A 11 0.333 0.019 6.269 1.00 0.00 H new ATOM 0 H42 DC A 11 -0.237 -1.472 5.511 1.00 0.00 H new ATOM 0 H5 DC A 11 -1.175 1.650 7.224 1.00 0.00 H new ATOM 0 H6 DC A 11 -3.511 2.214 7.659 1.00 0.00 H new ATOM 347 P DC A 12 -8.536 0.502 10.087 1.00 0.00 P ATOM 348 OP1 DC A 12 -9.989 0.392 10.344 1.00 0.00 O ATOM 349 OP2 DC A 12 -7.632 0.979 11.159 1.00 0.00 O ATOM 350 O5' DC A 12 -7.999 -0.938 9.581 1.00 0.00 O ATOM 351 C5' DC A 12 -8.797 -1.745 8.701 1.00 0.00 C ATOM 352 C4' DC A 12 -8.256 -3.172 8.562 1.00 0.00 C ATOM 353 O4' DC A 12 -6.946 -3.191 7.939 1.00 0.00 O ATOM 354 C3' DC A 12 -8.128 -3.865 9.920 1.00 0.00 C ATOM 355 O3' DC A 12 -8.902 -5.070 9.953 1.00 0.00 O ATOM 356 C2' DC A 12 -6.673 -4.159 10.067 1.00 0.00 C ATOM 357 C1' DC A 12 -6.090 -4.082 8.680 1.00 0.00 C ATOM 358 N1 DC A 12 -4.694 -3.583 8.685 1.00 0.00 N ATOM 359 C2 DC A 12 -3.740 -4.345 8.026 1.00 0.00 C ATOM 360 O2 DC A 12 -4.051 -5.406 7.494 1.00 0.00 O ATOM 361 N3 DC A 12 -2.462 -3.891 7.992 1.00 0.00 N ATOM 362 C4 DC A 12 -2.122 -2.743 8.575 1.00 0.00 C ATOM 363 N4 DC A 12 -0.858 -2.341 8.513 1.00 0.00 N ATOM 364 C5 DC A 12 -3.095 -1.950 9.260 1.00 0.00 C ATOM 365 C6 DC A 12 -4.363 -2.406 9.291 1.00 0.00 C ATOM 0 H5' DC A 12 -8.834 -1.277 7.717 1.00 0.00 H new ATOM 0 H5'' DC A 12 -9.820 -1.782 9.075 1.00 0.00 H new ATOM 0 H4' DC A 12 -8.976 -3.701 7.938 1.00 0.00 H new ATOM 0 H3' DC A 12 -8.501 -3.243 10.734 1.00 0.00 H new ATOM 0 H2' DC A 12 -6.195 -3.439 10.731 1.00 0.00 H new ATOM 0 H2'' DC A 12 -6.517 -5.146 10.501 1.00 0.00 H new ATOM 0 HO3' DC A 12 -8.804 -5.498 10.829 1.00 0.00 H new ATOM 0 H1' DC A 12 -6.047 -5.074 8.230 1.00 0.00 H new ATOM 0 H41 DC A 12 -0.579 -1.464 8.954 1.00 0.00 H new ATOM 0 H42 DC A 12 -0.166 -2.909 8.025 1.00 0.00 H new ATOM 0 H5 DC A 12 -2.824 -1.019 9.735 1.00 0.00 H new ATOM 0 H6 DC A 12 -5.125 -1.834 9.800 1.00 0.00 H new TER 378 DC A 12