USER MOD reduce.3.24.130724 H: found=0, std=0, add=170, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 170 hydrogens (30 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 DA O5' : rot 31:sc= 0.0113 USER MOD Single : A 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DA O5' : rot 36:sc= 0.00387 USER MOD Single : B 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -5.095 13.576 -6.652 1.00 10.00 O ATOM 2 C5' DA A 1 -6.473 13.595 -6.348 1.00 10.00 C ATOM 3 C4' DA A 1 -6.960 12.196 -5.960 1.00 10.00 C ATOM 4 O4' DA A 1 -6.688 11.263 -6.991 1.00 10.00 O ATOM 5 C3' DA A 1 -6.266 11.638 -4.719 1.00 10.00 C ATOM 6 O3' DA A 1 -6.879 12.115 -3.533 1.00 10.00 O ATOM 7 C2' DA A 1 -6.441 10.137 -4.921 1.00 10.00 C ATOM 8 C1' DA A 1 -6.653 9.963 -6.425 1.00 10.00 C ATOM 9 N9 DA A 1 -5.569 9.160 -7.018 1.00 10.00 N ATOM 10 C8 DA A 1 -4.330 9.594 -7.373 1.00 10.00 C ATOM 11 N7 DA A 1 -3.571 8.688 -7.925 1.00 10.00 N ATOM 12 C5 DA A 1 -4.376 7.553 -7.920 1.00 10.00 C ATOM 13 C6 DA A 1 -4.178 6.229 -8.368 1.00 10.00 C ATOM 14 N6 DA A 1 -3.050 5.820 -8.962 1.00 10.00 N ATOM 15 N1 DA A 1 -5.169 5.337 -8.177 1.00 10.00 N ATOM 16 C2 DA A 1 -6.295 5.731 -7.585 1.00 10.00 C ATOM 17 N3 DA A 1 -6.608 6.943 -7.133 1.00 10.00 N ATOM 18 C4 DA A 1 -5.591 7.824 -7.337 1.00 10.00 C ATOM 0 H5' DA A 1 -7.036 13.956 -7.209 1.00 10.00 H new ATOM 0 H5'' DA A 1 -6.661 14.291 -5.530 1.00 10.00 H new ATOM 0 H4' DA A 1 -8.027 12.318 -5.773 1.00 10.00 H new ATOM 0 H3' DA A 1 -5.223 11.933 -4.606 1.00 10.00 H new ATOM 0 H2' DA A 1 -5.563 9.588 -4.580 1.00 10.00 H new ATOM 0 H2'' DA A 1 -7.293 9.759 -4.356 1.00 10.00 H new ATOM 0 HO5' DA A 1 -4.855 12.704 -7.029 1.00 10.00 H new ATOM 0 H1' DA A 1 -7.583 9.431 -6.625 1.00 10.00 H new ATOM 0 H8 DA A 1 -4.000 10.610 -7.211 1.00 10.00 H new ATOM 0 H61 DA A 1 -2.957 4.851 -9.268 1.00 10.00 H new ATOM 0 H62 DA A 1 -2.284 6.477 -9.109 1.00 10.00 H new ATOM 0 H2 DA A 1 -7.050 4.970 -7.455 1.00 10.00 H new ATOM 31 P DT A 2 -6.214 11.890 -2.076 1.00 10.00 P ATOM 32 OP1 DT A 2 -7.023 12.633 -1.085 1.00 10.00 O ATOM 33 OP2 DT A 2 -4.763 12.161 -2.186 1.00 10.00 O ATOM 34 O5' DT A 2 -6.406 10.313 -1.806 1.00 10.00 O ATOM 35 C5' DT A 2 -7.647 9.767 -1.397 1.00 10.00 C ATOM 36 C4' DT A 2 -7.548 8.238 -1.394 1.00 10.00 C ATOM 37 O4' DT A 2 -7.114 7.787 -2.661 1.00 10.00 O ATOM 38 C3' DT A 2 -6.537 7.716 -0.368 1.00 10.00 C ATOM 39 O3' DT A 2 -7.210 7.380 0.837 1.00 10.00 O ATOM 40 C2' DT A 2 -5.916 6.510 -1.067 1.00 10.00 C ATOM 41 C1' DT A 2 -6.439 6.554 -2.505 1.00 10.00 C ATOM 42 N1 DT A 2 -5.313 6.491 -3.466 1.00 10.00 N ATOM 43 C2 DT A 2 -5.198 5.407 -4.335 1.00 10.00 C ATOM 44 O2 DT A 2 -6.022 4.498 -4.396 1.00 10.00 O ATOM 45 N3 DT A 2 -4.075 5.400 -5.151 1.00 10.00 N ATOM 46 C4 DT A 2 -3.084 6.371 -5.184 1.00 10.00 C ATOM 47 O4 DT A 2 -2.115 6.232 -5.927 1.00 10.00 O ATOM 48 C5 DT A 2 -3.310 7.491 -4.284 1.00 10.00 C ATOM 49 C7 DT A 2 -2.356 8.670 -4.272 1.00 10.00 C ATOM 50 C6 DT A 2 -4.390 7.503 -3.466 1.00 10.00 C ATOM 0 H5' DT A 2 -8.440 10.091 -2.071 1.00 10.00 H new ATOM 0 H5'' DT A 2 -7.907 10.129 -0.402 1.00 10.00 H new ATOM 0 H4' DT A 2 -8.541 7.866 -1.142 1.00 10.00 H new ATOM 0 H3' DT A 2 -5.774 8.437 -0.074 1.00 10.00 H new ATOM 0 H2' DT A 2 -4.827 6.561 -1.044 1.00 10.00 H new ATOM 0 H2'' DT A 2 -6.202 5.581 -0.574 1.00 10.00 H new ATOM 0 H1' DT A 2 -7.099 5.708 -2.696 1.00 10.00 H new ATOM 0 H3 DT A 2 -3.968 4.608 -5.785 1.00 10.00 H new ATOM 0 H71 DT A 2 -2.898 9.574 -3.995 1.00 10.00 H new ATOM 0 H72 DT A 2 -1.561 8.488 -3.548 1.00 10.00 H new ATOM 0 H73 DT A 2 -1.922 8.797 -5.264 1.00 10.00 H new ATOM 0 H6 DT A 2 -4.527 8.336 -2.793 1.00 10.00 H new ATOM 63 P DG A 3 -6.460 6.731 2.116 1.00 10.00 P ATOM 64 OP1 DG A 3 -7.182 7.161 3.334 1.00 10.00 O ATOM 65 OP2 DG A 3 -5.009 6.999 1.994 1.00 10.00 O ATOM 66 O5' DG A 3 -6.683 5.138 1.944 1.00 10.00 O ATOM 67 C5' DG A 3 -7.975 4.554 1.949 1.00 10.00 C ATOM 68 C4' DG A 3 -7.884 3.020 1.995 1.00 10.00 C ATOM 69 O4' DG A 3 -6.870 2.525 1.125 1.00 10.00 O ATOM 70 C3' DG A 3 -7.568 2.509 3.403 1.00 10.00 C ATOM 71 O3' DG A 3 -8.299 1.308 3.596 1.00 10.00 O ATOM 72 C2' DG A 3 -6.062 2.300 3.332 1.00 10.00 C ATOM 73 C1' DG A 3 -5.869 1.855 1.882 1.00 10.00 C ATOM 74 N9 DG A 3 -4.529 2.184 1.340 1.00 10.00 N ATOM 75 C8 DG A 3 -3.825 3.356 1.460 1.00 10.00 C ATOM 76 N7 DG A 3 -2.661 3.347 0.872 1.00 10.00 N ATOM 77 C5 DG A 3 -2.586 2.080 0.305 1.00 10.00 C ATOM 78 C6 DG A 3 -1.534 1.475 -0.446 1.00 10.00 C ATOM 79 O6 DG A 3 -0.454 1.968 -0.759 1.00 10.00 O ATOM 80 N1 DG A 3 -1.834 0.179 -0.846 1.00 10.00 N ATOM 81 C2 DG A 3 -3.021 -0.468 -0.555 1.00 10.00 C ATOM 82 N2 DG A 3 -3.156 -1.717 -1.011 1.00 10.00 N ATOM 83 N3 DG A 3 -4.006 0.091 0.170 1.00 10.00 N ATOM 84 C4 DG A 3 -3.730 1.364 0.571 1.00 10.00 C ATOM 0 H5' DG A 3 -8.522 4.863 1.058 1.00 10.00 H new ATOM 0 H5'' DG A 3 -8.538 4.915 2.810 1.00 10.00 H new ATOM 0 H4' DG A 3 -8.862 2.659 1.677 1.00 10.00 H new ATOM 0 H3' DG A 3 -7.836 3.160 4.235 1.00 10.00 H new ATOM 0 H2' DG A 3 -5.513 3.215 3.554 1.00 10.00 H new ATOM 0 H2'' DG A 3 -5.722 1.544 4.039 1.00 10.00 H new ATOM 0 H1' DG A 3 -5.951 0.770 1.826 1.00 10.00 H new ATOM 0 H8 DG A 3 -4.203 4.214 1.996 1.00 10.00 H new ATOM 0 H1 DG A 3 -1.134 -0.327 -1.389 1.00 10.00 H new ATOM 0 H21 DG A 3 -4.012 -2.238 -0.824 1.00 10.00 H new ATOM 0 H22 DG A 3 -2.403 -2.149 -1.546 1.00 10.00 H new ATOM 96 P DC A 4 -8.275 0.483 4.983 1.00 10.00 P ATOM 97 OP1 DC A 4 -9.615 -0.107 5.196 1.00 10.00 O ATOM 98 OP2 DC A 4 -7.668 1.332 6.032 1.00 10.00 O ATOM 99 O5' DC A 4 -7.244 -0.705 4.637 1.00 10.00 O ATOM 100 C5' DC A 4 -7.633 -1.817 3.850 1.00 10.00 C ATOM 101 C4' DC A 4 -6.407 -2.683 3.551 1.00 10.00 C ATOM 102 O4' DC A 4 -5.459 -1.904 2.853 1.00 10.00 O ATOM 103 C3' DC A 4 -5.722 -3.199 4.823 1.00 10.00 C ATOM 104 O3' DC A 4 -6.005 -4.576 5.013 1.00 10.00 O ATOM 105 C2' DC A 4 -4.241 -2.931 4.575 1.00 10.00 C ATOM 106 C1' DC A 4 -4.180 -2.428 3.133 1.00 10.00 C ATOM 107 N1 DC A 4 -3.179 -1.342 3.029 1.00 10.00 N ATOM 108 C2 DC A 4 -2.007 -1.532 2.298 1.00 10.00 C ATOM 109 O2 DC A 4 -1.776 -2.595 1.727 1.00 10.00 O ATOM 110 N3 DC A 4 -1.112 -0.503 2.232 1.00 10.00 N ATOM 111 C4 DC A 4 -1.344 0.655 2.869 1.00 10.00 C ATOM 112 N4 DC A 4 -0.434 1.627 2.775 1.00 10.00 N ATOM 113 C5 DC A 4 -2.542 0.861 3.636 1.00 10.00 C ATOM 114 C6 DC A 4 -3.418 -0.164 3.683 1.00 10.00 C ATOM 0 H5' DC A 4 -8.087 -1.477 2.919 1.00 10.00 H new ATOM 0 H5'' DC A 4 -8.386 -2.403 4.376 1.00 10.00 H new ATOM 0 H4' DC A 4 -6.754 -3.538 2.971 1.00 10.00 H new ATOM 0 H3' DC A 4 -6.067 -2.712 5.735 1.00 10.00 H new ATOM 0 H2' DC A 4 -3.850 -2.189 5.271 1.00 10.00 H new ATOM 0 H2'' DC A 4 -3.647 -3.835 4.706 1.00 10.00 H new ATOM 0 H1' DC A 4 -3.902 -3.223 2.441 1.00 10.00 H new ATOM 0 H41 DC A 4 -0.587 2.517 3.250 1.00 10.00 H new ATOM 0 H42 DC A 4 0.414 1.480 2.228 1.00 10.00 H new ATOM 0 H5 DC A 4 -2.732 1.792 4.150 1.00 10.00 H new ATOM 0 H6 DC A 4 -4.330 -0.052 4.251 1.00 10.00 H new ATOM 126 P DA A 5 -5.705 -5.344 6.408 1.00 10.00 P ATOM 127 OP1 DA A 5 -6.474 -6.608 6.397 1.00 10.00 O ATOM 128 OP2 DA A 5 -5.902 -4.385 7.517 1.00 10.00 O ATOM 129 O5' DA A 5 -4.133 -5.718 6.356 1.00 10.00 O ATOM 130 C5' DA A 5 -3.628 -6.710 5.480 1.00 10.00 C ATOM 131 C4' DA A 5 -2.172 -7.035 5.833 1.00 10.00 C ATOM 132 O4' DA A 5 -1.354 -5.876 5.836 1.00 10.00 O ATOM 133 C3' DA A 5 -2.046 -7.678 7.223 1.00 10.00 C ATOM 134 O3' DA A 5 -1.774 -9.064 7.085 1.00 10.00 O ATOM 135 C2' DA A 5 -0.913 -6.884 7.882 1.00 10.00 C ATOM 136 C1' DA A 5 -0.280 -6.117 6.726 1.00 10.00 C ATOM 137 N9 DA A 5 0.337 -4.852 7.172 1.00 10.00 N ATOM 138 C8 DA A 5 -0.280 -3.831 7.833 1.00 10.00 C ATOM 139 N7 DA A 5 0.456 -2.769 8.005 1.00 10.00 N ATOM 140 C5 DA A 5 1.664 -3.118 7.411 1.00 10.00 C ATOM 141 C6 DA A 5 2.869 -2.415 7.208 1.00 10.00 C ATOM 142 N6 DA A 5 3.043 -1.149 7.602 1.00 10.00 N ATOM 143 N1 DA A 5 3.880 -3.044 6.580 1.00 10.00 N ATOM 144 C2 DA A 5 3.706 -4.300 6.173 1.00 10.00 C ATOM 145 N3 DA A 5 2.622 -5.065 6.293 1.00 10.00 N ATOM 146 C4 DA A 5 1.615 -4.403 6.928 1.00 10.00 C ATOM 0 H5' DA A 5 -3.691 -6.362 4.449 1.00 10.00 H new ATOM 0 H5'' DA A 5 -4.237 -7.611 5.550 1.00 10.00 H new ATOM 0 H4' DA A 5 -1.840 -7.731 5.062 1.00 10.00 H new ATOM 0 H3' DA A 5 -2.949 -7.635 7.831 1.00 10.00 H new ATOM 0 H2' DA A 5 -1.292 -6.209 8.649 1.00 10.00 H new ATOM 0 H2'' DA A 5 -0.192 -7.543 8.366 1.00 10.00 H new ATOM 0 H1' DA A 5 0.531 -6.679 6.263 1.00 10.00 H new ATOM 0 H8 DA A 5 -1.298 -3.897 8.186 1.00 10.00 H new ATOM 0 H61 DA A 5 3.933 -0.680 7.434 1.00 10.00 H new ATOM 0 H62 DA A 5 2.286 -0.652 8.071 1.00 10.00 H new ATOM 0 H2 DA A 5 4.553 -4.757 5.683 1.00 10.00 H new ATOM 158 P DT A 6 -1.669 -10.060 8.356 1.00 10.00 P ATOM 159 OP1 DT A 6 -1.908 -11.442 7.883 1.00 10.00 O ATOM 160 OP2 DT A 6 -2.482 -9.510 9.464 1.00 10.00 O ATOM 161 O5' DT A 6 -0.116 -9.932 8.761 1.00 10.00 O ATOM 162 C5' DT A 6 0.897 -10.444 7.921 1.00 10.00 C ATOM 163 C4' DT A 6 2.277 -9.956 8.365 1.00 10.00 C ATOM 164 O4' DT A 6 2.390 -8.556 8.197 1.00 10.00 O ATOM 165 C3' DT A 6 2.595 -10.195 9.840 1.00 10.00 C ATOM 166 O3' DT A 6 3.150 -11.476 10.052 1.00 10.00 O ATOM 167 C2' DT A 6 3.599 -9.086 10.155 1.00 10.00 C ATOM 168 C1' DT A 6 3.508 -8.134 8.954 1.00 10.00 C ATOM 169 N1 DT A 6 3.338 -6.717 9.376 1.00 10.00 N ATOM 170 C2 DT A 6 4.346 -5.802 9.076 1.00 10.00 C ATOM 171 O2 DT A 6 5.371 -6.098 8.467 1.00 10.00 O ATOM 172 N3 DT A 6 4.137 -4.501 9.505 1.00 10.00 N ATOM 173 C4 DT A 6 3.033 -4.032 10.199 1.00 10.00 C ATOM 174 O4 DT A 6 2.968 -2.846 10.514 1.00 10.00 O ATOM 175 C5 DT A 6 2.032 -5.046 10.479 1.00 10.00 C ATOM 176 C7 DT A 6 0.787 -4.664 11.255 1.00 10.00 C ATOM 177 C6 DT A 6 2.213 -6.328 10.066 1.00 10.00 C ATOM 0 H5' DT A 6 0.712 -10.135 6.892 1.00 10.00 H new ATOM 0 H5'' DT A 6 0.871 -11.534 7.936 1.00 10.00 H new ATOM 0 H4' DT A 6 2.963 -10.531 7.743 1.00 10.00 H new ATOM 0 H3' DT A 6 1.712 -10.168 10.479 1.00 10.00 H new ATOM 0 H2' DT A 6 3.349 -8.576 11.085 1.00 10.00 H new ATOM 0 H2'' DT A 6 4.607 -9.484 10.271 1.00 10.00 H new ATOM 0 HO3' DT A 6 3.343 -11.595 11.005 1.00 10.00 H new ATOM 0 H1' DT A 6 4.431 -8.171 8.375 1.00 10.00 H new ATOM 0 H3 DT A 6 4.867 -3.822 9.289 1.00 10.00 H new ATOM 0 H71 DT A 6 -0.045 -5.296 10.943 1.00 10.00 H new ATOM 0 H72 DT A 6 0.966 -4.801 12.321 1.00 10.00 H new ATOM 0 H73 DT A 6 0.543 -3.620 11.060 1.00 10.00 H new ATOM 0 H6 DT A 6 1.452 -7.062 10.286 1.00 10.00 H new TER 191 DT A 6 ATOM 192 O5' DA B 1 12.953 2.356 9.269 1.00 10.00 O ATOM 193 C5' DA B 1 13.852 1.348 8.856 1.00 10.00 C ATOM 194 C4' DA B 1 13.123 0.244 8.084 1.00 10.00 C ATOM 195 O4' DA B 1 12.090 -0.329 8.867 1.00 10.00 O ATOM 196 C3' DA B 1 12.432 0.747 6.817 1.00 10.00 C ATOM 197 O3' DA B 1 13.343 0.829 5.735 1.00 10.00 O ATOM 198 C2' DA B 1 11.358 -0.316 6.613 1.00 10.00 C ATOM 199 C1' DA B 1 11.146 -0.933 7.995 1.00 10.00 C ATOM 200 N9 DA B 1 9.770 -0.705 8.467 1.00 10.00 N ATOM 201 C8 DA B 1 9.275 0.426 9.038 1.00 10.00 C ATOM 202 N7 DA B 1 8.032 0.343 9.425 1.00 10.00 N ATOM 203 C5 DA B 1 7.669 -0.949 9.058 1.00 10.00 C ATOM 204 C6 DA B 1 6.472 -1.687 9.182 1.00 10.00 C ATOM 205 N6 DA B 1 5.373 -1.204 9.773 1.00 10.00 N ATOM 206 N1 DA B 1 6.437 -2.932 8.670 1.00 10.00 N ATOM 207 C2 DA B 1 7.523 -3.426 8.079 1.00 10.00 C ATOM 208 N3 DA B 1 8.707 -2.843 7.914 1.00 10.00 N ATOM 209 C4 DA B 1 8.716 -1.587 8.436 1.00 10.00 C ATOM 0 H5' DA B 1 14.349 0.920 9.727 1.00 10.00 H new ATOM 0 H5'' DA B 1 14.629 1.784 8.228 1.00 10.00 H new ATOM 0 H4' DA B 1 13.905 -0.472 7.832 1.00 10.00 H new ATOM 0 H3' DA B 1 12.025 1.756 6.888 1.00 10.00 H new ATOM 0 H2' DA B 1 10.436 0.122 6.231 1.00 10.00 H new ATOM 0 H2'' DA B 1 11.678 -1.067 5.890 1.00 10.00 H new ATOM 0 HO5' DA B 1 12.095 1.949 9.513 1.00 10.00 H new ATOM 0 H1' DA B 1 11.290 -2.013 7.962 1.00 10.00 H new ATOM 0 H8 DA B 1 9.865 1.322 9.161 1.00 10.00 H new ATOM 0 H61 DA B 1 4.533 -1.779 9.836 1.00 10.00 H new ATOM 0 H62 DA B 1 5.375 -0.260 10.160 1.00 10.00 H new ATOM 0 H2 DA B 1 7.431 -4.427 7.684 1.00 10.00 H new ATOM 222 P DT B 2 12.955 1.559 4.346 1.00 10.00 P ATOM 223 OP1 DT B 2 14.160 1.580 3.488 1.00 10.00 O ATOM 224 OP2 DT B 2 12.267 2.828 4.671 1.00 10.00 O ATOM 225 O5' DT B 2 11.875 0.566 3.678 1.00 10.00 O ATOM 226 C5' DT B 2 12.260 -0.618 3.002 1.00 10.00 C ATOM 227 C4' DT B 2 11.008 -1.416 2.625 1.00 10.00 C ATOM 228 O4' DT B 2 10.223 -1.655 3.776 1.00 10.00 O ATOM 229 C3' DT B 2 10.113 -0.671 1.631 1.00 10.00 C ATOM 230 O3' DT B 2 10.440 -1.069 0.308 1.00 10.00 O ATOM 231 C2' DT B 2 8.702 -1.065 2.059 1.00 10.00 C ATOM 232 C1' DT B 2 8.872 -1.808 3.387 1.00 10.00 C ATOM 233 N1 DT B 2 7.995 -1.217 4.425 1.00 10.00 N ATOM 234 C2 DT B 2 6.971 -1.975 4.988 1.00 10.00 C ATOM 235 O2 DT B 2 6.772 -3.156 4.712 1.00 10.00 O ATOM 236 N3 DT B 2 6.158 -1.316 5.900 1.00 10.00 N ATOM 237 C4 DT B 2 6.287 0.008 6.300 1.00 10.00 C ATOM 238 O4 DT B 2 5.470 0.492 7.079 1.00 10.00 O ATOM 239 C5 DT B 2 7.417 0.706 5.711 1.00 10.00 C ATOM 240 C7 DT B 2 7.736 2.134 6.109 1.00 10.00 C ATOM 241 C6 DT B 2 8.205 0.084 4.800 1.00 10.00 C ATOM 0 H5' DT B 2 12.910 -1.219 3.638 1.00 10.00 H new ATOM 0 H5'' DT B 2 12.830 -0.370 2.107 1.00 10.00 H new ATOM 0 H4' DT B 2 11.364 -2.341 2.171 1.00 10.00 H new ATOM 0 H3' DT B 2 10.229 0.413 1.633 1.00 10.00 H new ATOM 0 H2' DT B 2 8.068 -0.186 2.179 1.00 10.00 H new ATOM 0 H2'' DT B 2 8.228 -1.701 1.311 1.00 10.00 H new ATOM 0 H1' DT B 2 8.605 -2.858 3.272 1.00 10.00 H new ATOM 0 H3 DT B 2 5.396 -1.853 6.314 1.00 10.00 H new ATOM 0 H71 DT B 2 8.809 2.304 6.024 1.00 10.00 H new ATOM 0 H72 DT B 2 7.206 2.822 5.451 1.00 10.00 H new ATOM 0 H73 DT B 2 7.422 2.303 7.139 1.00 10.00 H new ATOM 0 H6 DT B 2 9.024 0.631 4.356 1.00 10.00 H new ATOM 254 P DG B 3 9.665 -0.510 -0.997 1.00 10.00 P ATOM 255 OP1 DG B 3 10.615 -0.523 -2.132 1.00 10.00 O ATOM 256 OP2 DG B 3 8.977 0.749 -0.633 1.00 10.00 O ATOM 257 O5' DG B 3 8.534 -1.627 -1.284 1.00 10.00 O ATOM 258 C5' DG B 3 8.868 -2.969 -1.594 1.00 10.00 C ATOM 259 C4' DG B 3 7.611 -3.769 -1.971 1.00 10.00 C ATOM 260 O4' DG B 3 6.509 -3.440 -1.132 1.00 10.00 O ATOM 261 C3' DG B 3 7.182 -3.514 -3.417 1.00 10.00 C ATOM 262 O3' DG B 3 6.712 -4.744 -3.944 1.00 10.00 O ATOM 263 C2' DG B 3 6.091 -2.465 -3.246 1.00 10.00 C ATOM 264 C1' DG B 3 5.466 -2.863 -1.909 1.00 10.00 C ATOM 265 N9 DG B 3 4.866 -1.720 -1.176 1.00 10.00 N ATOM 266 C8 DG B 3 5.382 -0.465 -0.970 1.00 10.00 C ATOM 267 N7 DG B 3 4.608 0.328 -0.279 1.00 10.00 N ATOM 268 C5 DG B 3 3.498 -0.458 0.009 1.00 10.00 C ATOM 269 C6 DG B 3 2.295 -0.129 0.709 1.00 10.00 C ATOM 270 O6 DG B 3 1.989 0.946 1.224 1.00 10.00 O ATOM 271 N1 DG B 3 1.408 -1.201 0.778 1.00 10.00 N ATOM 272 C2 DG B 3 1.649 -2.446 0.224 1.00 10.00 C ATOM 273 N2 DG B 3 0.696 -3.372 0.358 1.00 10.00 N ATOM 274 N3 DG B 3 2.768 -2.748 -0.454 1.00 10.00 N ATOM 275 C4 DG B 3 3.652 -1.716 -0.526 1.00 10.00 C ATOM 0 H5' DG B 3 9.358 -3.434 -0.738 1.00 10.00 H new ATOM 0 H5'' DG B 3 9.580 -2.990 -2.419 1.00 10.00 H new ATOM 0 H4' DG B 3 7.881 -4.817 -1.845 1.00 10.00 H new ATOM 0 H3' DG B 3 7.952 -3.167 -4.106 1.00 10.00 H new ATOM 0 H2' DG B 3 6.499 -1.454 -3.220 1.00 10.00 H new ATOM 0 H2'' DG B 3 5.366 -2.495 -4.059 1.00 10.00 H new ATOM 0 H1' DG B 3 4.646 -3.557 -2.093 1.00 10.00 H new ATOM 0 H8 DG B 3 6.347 -0.159 -1.347 1.00 10.00 H new ATOM 0 H1 DG B 3 0.525 -1.059 1.268 1.00 10.00 H new ATOM 0 H21 DG B 3 0.831 -4.304 -0.035 1.00 10.00 H new ATOM 0 H22 DG B 3 -0.167 -3.148 0.853 1.00 10.00 H new ATOM 287 P DC B 4 6.224 -4.911 -5.472 1.00 10.00 P ATOM 288 OP1 DC B 4 6.613 -6.259 -5.941 1.00 10.00 O ATOM 289 OP2 DC B 4 6.639 -3.714 -6.239 1.00 10.00 O ATOM 290 O5' DC B 4 4.625 -4.871 -5.301 1.00 10.00 O ATOM 291 C5' DC B 4 3.905 -5.991 -4.817 1.00 10.00 C ATOM 292 C4' DC B 4 2.441 -5.598 -4.602 1.00 10.00 C ATOM 293 O4' DC B 4 2.382 -4.551 -3.656 1.00 10.00 O ATOM 294 C3' DC B 4 1.774 -5.084 -5.885 1.00 10.00 C ATOM 295 O3' DC B 4 0.917 -6.075 -6.430 1.00 10.00 O ATOM 296 C2' DC B 4 1.024 -3.840 -5.427 1.00 10.00 C ATOM 297 C1' DC B 4 1.210 -3.810 -3.909 1.00 10.00 C ATOM 298 N1 DC B 4 1.410 -2.413 -3.458 1.00 10.00 N ATOM 299 C2 DC B 4 0.443 -1.775 -2.680 1.00 10.00 C ATOM 300 O2 DC B 4 -0.602 -2.339 -2.361 1.00 10.00 O ATOM 301 N3 DC B 4 0.682 -0.495 -2.274 1.00 10.00 N ATOM 302 C4 DC B 4 1.804 0.150 -2.636 1.00 10.00 C ATOM 303 N4 DC B 4 2.003 1.391 -2.185 1.00 10.00 N ATOM 304 C5 DC B 4 2.792 -0.482 -3.465 1.00 10.00 C ATOM 305 C6 DC B 4 2.548 -1.754 -3.843 1.00 10.00 C ATOM 0 H5' DC B 4 4.341 -6.341 -3.881 1.00 10.00 H new ATOM 0 H5'' DC B 4 3.972 -6.815 -5.527 1.00 10.00 H new ATOM 0 H4' DC B 4 1.917 -6.493 -4.267 1.00 10.00 H new ATOM 0 H3' DC B 4 2.477 -4.854 -6.685 1.00 10.00 H new ATOM 0 H2' DC B 4 1.427 -2.941 -5.893 1.00 10.00 H new ATOM 0 H2'' DC B 4 -0.031 -3.893 -5.696 1.00 10.00 H new ATOM 0 H1' DC B 4 0.344 -4.218 -3.388 1.00 10.00 H new ATOM 0 H41 DC B 4 2.848 1.900 -2.447 1.00 10.00 H new ATOM 0 H42 DC B 4 1.310 1.830 -1.579 1.00 10.00 H new ATOM 0 H5 DC B 4 3.688 0.037 -3.771 1.00 10.00 H new ATOM 0 H6 DC B 4 3.268 -2.266 -4.465 1.00 10.00 H new ATOM 317 P DA B 5 0.329 -5.983 -7.938 1.00 10.00 P ATOM 318 OP1 DA B 5 -0.161 -7.329 -8.309 1.00 10.00 O ATOM 319 OP2 DA B 5 1.339 -5.319 -8.791 1.00 10.00 O ATOM 320 O5' DA B 5 -0.950 -4.999 -7.837 1.00 10.00 O ATOM 321 C5' DA B 5 -2.149 -5.396 -7.194 1.00 10.00 C ATOM 322 C4' DA B 5 -3.265 -4.386 -7.479 1.00 10.00 C ATOM 323 O4' DA B 5 -2.893 -3.067 -7.107 1.00 10.00 O ATOM 324 C3' DA B 5 -3.646 -4.341 -8.968 1.00 10.00 C ATOM 325 O3' DA B 5 -4.896 -4.985 -9.157 1.00 10.00 O ATOM 326 C2' DA B 5 -3.663 -2.843 -9.288 1.00 10.00 C ATOM 327 C1' DA B 5 -3.631 -2.172 -7.918 1.00 10.00 C ATOM 328 N9 DA B 5 -2.992 -0.842 -7.964 1.00 10.00 N ATOM 329 C8 DA B 5 -1.735 -0.554 -8.410 1.00 10.00 C ATOM 330 N7 DA B 5 -1.362 0.681 -8.229 1.00 10.00 N ATOM 331 C5 DA B 5 -2.464 1.261 -7.611 1.00 10.00 C ATOM 332 C6 DA B 5 -2.706 2.553 -7.099 1.00 10.00 C ATOM 333 N6 DA B 5 -1.792 3.529 -7.140 1.00 10.00 N ATOM 334 N1 DA B 5 -3.901 2.805 -6.533 1.00 10.00 N ATOM 335 C2 DA B 5 -4.807 1.831 -6.476 1.00 10.00 C ATOM 336 N3 DA B 5 -4.700 0.576 -6.909 1.00 10.00 N ATOM 337 C4 DA B 5 -3.481 0.347 -7.472 1.00 10.00 C ATOM 0 H5' DA B 5 -1.985 -5.473 -6.119 1.00 10.00 H new ATOM 0 H5'' DA B 5 -2.446 -6.385 -7.543 1.00 10.00 H new ATOM 0 H4' DA B 5 -4.113 -4.727 -6.885 1.00 10.00 H new ATOM 0 H3' DA B 5 -2.961 -4.867 -9.634 1.00 10.00 H new ATOM 0 H2' DA B 5 -2.804 -2.555 -9.894 1.00 10.00 H new ATOM 0 H2'' DA B 5 -4.556 -2.565 -9.848 1.00 10.00 H new ATOM 0 H1' DA B 5 -4.635 -1.988 -7.535 1.00 10.00 H new ATOM 0 H8 DA B 5 -1.099 -1.292 -8.876 1.00 10.00 H new ATOM 0 H61 DA B 5 -2.011 4.449 -6.757 1.00 10.00 H new ATOM 0 H62 DA B 5 -0.876 3.353 -7.554 1.00 10.00 H new ATOM 0 H2 DA B 5 -5.750 2.092 -6.020 1.00 10.00 H new ATOM 349 P DT B 6 -5.564 -5.178 -10.618 1.00 10.00 P ATOM 350 OP1 DT B 6 -6.528 -6.299 -10.543 1.00 10.00 O ATOM 351 OP2 DT B 6 -4.491 -5.195 -11.637 1.00 10.00 O ATOM 352 O5' DT B 6 -6.398 -3.812 -10.791 1.00 10.00 O ATOM 353 C5' DT B 6 -7.527 -3.544 -9.984 1.00 10.00 C ATOM 354 C4' DT B 6 -7.972 -2.088 -10.128 1.00 10.00 C ATOM 355 O4' DT B 6 -6.991 -1.210 -9.611 1.00 10.00 O ATOM 356 C3' DT B 6 -8.185 -1.624 -11.569 1.00 10.00 C ATOM 357 O3' DT B 6 -9.493 -1.906 -12.019 1.00 10.00 O ATOM 358 C2' DT B 6 -7.930 -0.119 -11.482 1.00 10.00 C ATOM 359 C1' DT B 6 -7.285 0.083 -10.103 1.00 10.00 C ATOM 360 N1 DT B 6 -6.043 0.899 -10.183 1.00 10.00 N ATOM 361 C2 DT B 6 -6.017 2.145 -9.558 1.00 10.00 C ATOM 362 O2 DT B 6 -6.966 2.608 -8.929 1.00 10.00 O ATOM 363 N3 DT B 6 -4.837 2.863 -9.676 1.00 10.00 N ATOM 364 C4 DT B 6 -3.697 2.462 -10.353 1.00 10.00 C ATOM 365 O4 DT B 6 -2.709 3.192 -10.371 1.00 10.00 O ATOM 366 C5 DT B 6 -3.806 1.158 -10.983 1.00 10.00 C ATOM 367 C7 DT B 6 -2.632 0.616 -11.776 1.00 10.00 C ATOM 368 C6 DT B 6 -4.951 0.435 -10.879 1.00 10.00 C ATOM 0 H5' DT B 6 -7.291 -3.754 -8.941 1.00 10.00 H new ATOM 0 H5'' DT B 6 -8.345 -4.207 -10.265 1.00 10.00 H new ATOM 0 H4' DT B 6 -8.918 -2.057 -9.588 1.00 10.00 H new ATOM 0 H3' DT B 6 -7.534 -2.129 -12.283 1.00 10.00 H new ATOM 0 H2' DT B 6 -7.271 0.219 -12.282 1.00 10.00 H new ATOM 0 H2'' DT B 6 -8.857 0.447 -11.573 1.00 10.00 H new ATOM 0 HO3' DT B 6 -9.595 -1.595 -12.943 1.00 10.00 H new ATOM 0 H1' DT B 6 -7.964 0.625 -9.445 1.00 10.00 H new ATOM 0 H3 DT B 6 -4.805 3.775 -9.220 1.00 10.00 H new ATOM 0 H71 DT B 6 -2.628 -0.473 -11.723 1.00 10.00 H new ATOM 0 H72 DT B 6 -2.721 0.928 -12.817 1.00 10.00 H new ATOM 0 H73 DT B 6 -1.702 1.003 -11.359 1.00 10.00 H new ATOM 0 H6 DT B 6 -5.006 -0.532 -11.357 1.00 10.00 H new TER 382 DT B 6 HETATM 383 O11 NF A 7 0.653 3.196 -4.238 1.00 10.00 O HETATM 384 C11 NF A 7 -0.476 3.051 -3.854 1.00 10.00 C HETATM 385 N21 NF A 7 -1.129 4.059 -3.132 1.00 10.00 N HETATM 386 C12 NF A 7 -0.418 5.349 -2.896 1.00 10.00 C HETATM 387 C31 NF A 7 -2.453 3.956 -2.688 1.00 10.00 C HETATM 388 O31 NF A 7 -2.977 4.868 -2.110 1.00 10.00 O HETATM 389 CX3 NF A 7 -3.187 2.675 -2.945 1.00 10.00 C HETATM 390 CXD NF A 7 -2.552 1.623 -3.650 1.00 10.00 C HETATM 391 CXT NF A 7 -1.225 1.782 -4.125 1.00 10.00 C HETATM 392 C91 NF A 7 -0.620 0.772 -4.840 1.00 10.00 C HETATM 393 C81 NF A 7 -1.292 -0.436 -5.077 1.00 10.00 C HETATM 394 C71 NF A 7 -2.589 -0.638 -4.588 1.00 10.00 C HETATM 395 CXN NF A 7 -3.250 0.404 -3.881 1.00 10.00 C HETATM 396 C61 NF A 7 -4.583 0.271 -3.401 1.00 10.00 C HETATM 397 C51 NF A 7 -5.187 1.331 -2.711 1.00 10.00 C HETATM 398 C41 NF A 7 -4.479 2.521 -2.490 1.00 10.00 C HETATM 399 C22 NF A 7 -0.140 5.691 -1.426 1.00 10.00 C HETATM 400 N32 NF A 7 0.528 4.580 -0.707 1.00 10.00 N HETATM 401 C42 NF A 7 0.469 4.617 0.776 1.00 10.00 C HETATM 402 C52 NF A 7 1.696 5.247 1.458 1.00 10.00 C HETATM 403 C62 NF A 7 2.933 4.340 1.478 1.00 10.00 C HETATM 404 N72 NF A 7 2.875 3.328 2.557 1.00 10.00 N HETATM 405 C82 NF A 7 4.211 2.867 2.983 1.00 10.00 C HETATM 406 O13 NF A 7 1.630 1.255 5.002 1.00 10.00 O HETATM 407 C13 NF A 7 2.269 0.379 4.485 1.00 10.00 C HETATM 408 N23 NF A 7 3.555 0.625 3.992 1.00 10.00 N HETATM 409 C92 NF A 7 4.161 1.964 4.220 1.00 10.00 C HETATM 410 C33 NF A 7 4.341 -0.338 3.351 1.00 10.00 C HETATM 411 O33 NF A 7 5.435 -0.060 2.940 1.00 10.00 O HETATM 412 CX5 NF A 7 3.773 -1.714 3.187 1.00 10.00 C HETATM 413 CXF NF A 7 2.476 -2.009 3.680 1.00 10.00 C HETATM 414 CXV NF A 7 1.715 -1.005 4.334 1.00 10.00 C HETATM 415 C93 NF A 7 0.465 -1.299 4.834 1.00 10.00 C HETATM 416 C83 NF A 7 -0.084 -2.582 4.679 1.00 10.00 C HETATM 417 C73 NF A 7 0.630 -3.586 4.012 1.00 10.00 C HETATM 418 CXP NF A 7 1.936 -3.316 3.515 1.00 10.00 C HETATM 419 C63 NF A 7 2.722 -4.307 2.859 1.00 10.00 C HETATM 420 C53 NF A 7 4.002 -3.987 2.386 1.00 10.00 C HETATM 421 C43 NF A 7 4.512 -2.690 2.553 1.00 10.00 C HETATM 0 H922 NF A 7 5.176 1.829 4.595 1.00 10.00 H new HETATM 0 H912 NF A 7 3.598 2.474 5.002 1.00 10.00 H new HETATM 0 H822 NF A 7 4.682 2.326 2.163 1.00 10.00 H new HETATM 0 H812 NF A 7 4.838 3.733 3.196 1.00 10.00 H new HETATM 0 H722 NF A 7 2.384 3.721 3.360 1.00 10.00 H new HETATM 0 H712 NF A 7 2.330 2.527 2.237 1.00 10.00 H new HETATM 0 H622 NF A 7 3.026 3.836 0.516 1.00 10.00 H new HETATM 0 H612 NF A 7 3.826 4.952 1.605 1.00 10.00 H new HETATM 0 H522 NF A 7 1.947 6.175 0.945 1.00 10.00 H new HETATM 0 H512 NF A 7 1.434 5.510 2.483 1.00 10.00 H new HETATM 0 H422 NF A 7 -0.420 5.172 1.076 1.00 10.00 H new HETATM 0 H412 NF A 7 0.349 3.599 1.146 1.00 10.00 H new HETATM 0 H322 NF A 7 0.113 3.702 -1.021 1.00 10.00 H new HETATM 0 H312 NF A 7 1.509 4.563 -0.987 1.00 10.00 H new HETATM 0 H222 NF A 7 0.485 6.582 -1.375 1.00 10.00 H new HETATM 0 H212 NF A 7 -1.079 5.931 -0.927 1.00 10.00 H new HETATM 0 H122 NF A 7 0.531 5.324 -3.431 1.00 10.00 H new HETATM 0 H112 NF A 7 -1.008 6.154 -3.333 1.00 10.00 H new HETATM 0 H93 NF A 7 -0.103 -0.528 5.355 1.00 10.00 H new HETATM 0 H91 NF A 7 0.390 0.913 -5.225 1.00 10.00 H new HETATM 0 H83 NF A 7 -1.074 -2.799 5.081 1.00 10.00 H new HETATM 0 H81 NF A 7 -0.801 -1.225 -5.647 1.00 10.00 H new HETATM 0 H73 NF A 7 0.186 -4.572 3.874 1.00 10.00 H new HETATM 0 H71 NF A 7 -3.091 -1.592 -4.749 1.00 10.00 H new HETATM 0 H63 NF A 7 2.328 -5.314 2.725 1.00 10.00 H new HETATM 0 H61 NF A 7 -5.134 -0.654 -3.570 1.00 10.00 H new HETATM 0 H53 NF A 7 4.603 -4.747 1.887 1.00 10.00 H new HETATM 0 H51 NF A 7 -6.209 1.230 -2.346 1.00 10.00 H new HETATM 0 H43 NF A 7 5.506 -2.451 2.176 1.00 10.00 H new HETATM 0 H41 NF A 7 -4.958 3.337 -1.950 1.00 10.00 H new