USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 188 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 Set 1.1: A 8 DT C7 :methyl 150:sc= -0.295 (180deg=0) USER MOD Set 1.2: B 12 DT C7 :methyl 150:sc= -0.296 (180deg=0) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 115:sc= 1 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.422 (180deg=-0.422) USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT O5' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DT C7 :methyl 150:sc= -0.417 (180deg=-0.417) USER MOD Single : B 16 DT O3' : rot 180:sc= -0.0715 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -10.462 -4.538 5.235 1.00 0.00 O ATOM 2 C5' DT A 1 -11.157 -3.375 5.648 1.00 0.00 C ATOM 3 C4' DT A 1 -12.282 -3.084 4.668 1.00 0.00 C ATOM 4 O4' DT A 1 -13.425 -3.822 5.019 1.00 0.00 O ATOM 5 C3' DT A 1 -12.710 -1.626 4.743 1.00 0.00 C ATOM 6 O3' DT A 1 -11.986 -0.894 3.781 1.00 0.00 O ATOM 7 C2' DT A 1 -14.188 -1.663 4.393 1.00 0.00 C ATOM 8 C1' DT A 1 -14.525 -3.156 4.450 1.00 0.00 C ATOM 9 N1 DT A 1 -15.700 -3.441 5.294 1.00 0.00 N ATOM 10 C2 DT A 1 -16.755 -4.150 4.716 1.00 0.00 C ATOM 11 O2 DT A 1 -16.765 -4.534 3.553 1.00 0.00 O ATOM 12 N3 DT A 1 -17.835 -4.407 5.530 1.00 0.00 N ATOM 13 C4 DT A 1 -17.960 -4.031 6.847 1.00 0.00 C ATOM 14 O4 DT A 1 -18.992 -4.323 7.437 1.00 0.00 O ATOM 15 C5 DT A 1 -16.811 -3.308 7.389 1.00 0.00 C ATOM 16 C7 DT A 1 -16.813 -2.824 8.819 1.00 0.00 C ATOM 17 C6 DT A 1 -15.732 -3.041 6.612 1.00 0.00 C ATOM 0 H5' DT A 1 -10.473 -2.527 5.696 1.00 0.00 H new ATOM 0 H5'' DT A 1 -11.561 -3.516 6.651 1.00 0.00 H new ATOM 0 H4' DT A 1 -11.909 -3.338 3.676 1.00 0.00 H new ATOM 0 H3' DT A 1 -12.531 -1.160 5.712 1.00 0.00 H new ATOM 0 H2' DT A 1 -14.784 -1.089 5.102 1.00 0.00 H new ATOM 0 H2'' DT A 1 -14.378 -1.245 3.404 1.00 0.00 H new ATOM 0 HO5' DT A 1 -9.544 -4.300 4.987 1.00 0.00 H new ATOM 0 H1' DT A 1 -14.747 -3.488 3.436 1.00 0.00 H new ATOM 0 H3 DT A 1 -18.613 -4.923 5.119 1.00 0.00 H new ATOM 0 H71 DT A 1 -15.792 -2.809 9.200 1.00 0.00 H new ATOM 0 H72 DT A 1 -17.231 -1.818 8.862 1.00 0.00 H new ATOM 0 H73 DT A 1 -17.418 -3.495 9.429 1.00 0.00 H new ATOM 0 H6 DT A 1 -14.890 -2.510 7.030 1.00 0.00 H new ATOM 31 P DC A 2 -11.533 0.607 4.072 1.00 0.00 P ATOM 32 OP1 DC A 2 -12.675 1.376 4.600 1.00 0.00 O ATOM 33 OP2 DC A 2 -10.844 1.032 2.837 1.00 0.00 O ATOM 34 O5' DC A 2 -10.459 0.390 5.250 1.00 0.00 O ATOM 35 C5' DC A 2 -9.225 1.085 5.294 1.00 0.00 C ATOM 36 C4' DC A 2 -8.184 0.541 4.312 1.00 0.00 C ATOM 37 O4' DC A 2 -6.909 1.004 4.720 1.00 0.00 O ATOM 38 C3' DC A 2 -8.121 -0.981 4.211 1.00 0.00 C ATOM 39 O3' DC A 2 -8.494 -1.350 2.892 1.00 0.00 O ATOM 40 C2' DC A 2 -6.658 -1.260 4.491 1.00 0.00 C ATOM 41 C1' DC A 2 -5.953 0.073 4.277 1.00 0.00 C ATOM 42 N1 DC A 2 -4.678 0.258 5.010 1.00 0.00 N ATOM 43 C2 DC A 2 -3.590 0.863 4.360 1.00 0.00 C ATOM 44 O2 DC A 2 -3.643 1.190 3.174 1.00 0.00 O ATOM 45 N3 DC A 2 -2.438 1.107 5.038 1.00 0.00 N ATOM 46 C4 DC A 2 -2.357 0.738 6.307 1.00 0.00 C ATOM 47 N4 DC A 2 -1.260 1.070 6.942 1.00 0.00 N ATOM 48 C5 DC A 2 -3.420 0.075 6.997 1.00 0.00 C ATOM 49 C6 DC A 2 -4.563 -0.144 6.312 1.00 0.00 C ATOM 0 H5' DC A 2 -8.822 1.031 6.305 1.00 0.00 H new ATOM 0 H5'' DC A 2 -9.402 2.138 5.077 1.00 0.00 H new ATOM 0 H4' DC A 2 -8.482 0.900 3.327 1.00 0.00 H new ATOM 0 H3' DC A 2 -8.778 -1.530 4.885 1.00 0.00 H new ATOM 0 H2' DC A 2 -6.514 -1.624 5.508 1.00 0.00 H new ATOM 0 H2'' DC A 2 -6.267 -2.025 3.820 1.00 0.00 H new ATOM 0 H1' DC A 2 -5.643 0.170 3.236 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.140 0.813 7.922 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.526 1.585 6.456 1.00 0.00 H new ATOM 0 H5 DC A 2 -3.313 -0.238 8.025 1.00 0.00 H new ATOM 0 H6 DC A 2 -5.392 -0.640 6.796 1.00 0.00 H new ATOM 61 P DG A 3 -8.665 -2.878 2.415 1.00 0.00 P ATOM 62 OP1 DG A 3 -9.751 -2.809 1.411 1.00 0.00 O ATOM 63 OP2 DG A 3 -8.833 -3.740 3.612 1.00 0.00 O ATOM 64 O5' DG A 3 -7.244 -3.180 1.689 1.00 0.00 O ATOM 65 C5' DG A 3 -7.006 -2.768 0.347 1.00 0.00 C ATOM 66 C4' DG A 3 -5.525 -2.655 -0.016 1.00 0.00 C ATOM 67 O4' DG A 3 -4.820 -1.789 0.833 1.00 0.00 O ATOM 68 C3' DG A 3 -4.831 -4.001 -0.008 1.00 0.00 C ATOM 69 O3' DG A 3 -5.180 -4.493 -1.282 1.00 0.00 O ATOM 70 C2' DG A 3 -3.386 -3.563 0.165 1.00 0.00 C ATOM 71 C1' DG A 3 -3.458 -2.123 0.689 1.00 0.00 C ATOM 72 N9 DG A 3 -2.876 -2.054 2.028 1.00 0.00 N ATOM 73 C8 DG A 3 -3.480 -2.479 3.165 1.00 0.00 C ATOM 74 N7 DG A 3 -2.743 -2.386 4.239 1.00 0.00 N ATOM 75 C5 DG A 3 -1.535 -1.861 3.753 1.00 0.00 C ATOM 76 C6 DG A 3 -0.296 -1.522 4.407 1.00 0.00 C ATOM 77 O6 DG A 3 0.034 -1.611 5.589 1.00 0.00 O ATOM 78 N1 DG A 3 0.657 -1.027 3.537 1.00 0.00 N ATOM 79 C2 DG A 3 0.475 -0.891 2.200 1.00 0.00 C ATOM 80 N2 DG A 3 1.511 -0.462 1.529 1.00 0.00 N ATOM 81 N3 DG A 3 -0.648 -1.195 1.549 1.00 0.00 N ATOM 82 C4 DG A 3 -1.615 -1.666 2.387 1.00 0.00 C ATOM 0 H5' DG A 3 -7.484 -1.802 0.184 1.00 0.00 H new ATOM 0 H5'' DG A 3 -7.482 -3.477 -0.330 1.00 0.00 H new ATOM 0 H4' DG A 3 -5.516 -2.244 -1.025 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.058 -4.770 0.730 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.860 -4.211 0.867 1.00 0.00 H new ATOM 0 H2'' DG A 3 -2.845 -3.611 -0.780 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.930 -1.460 0.004 1.00 0.00 H new ATOM 0 H8 DG A 3 -4.489 -2.863 3.181 1.00 0.00 H new ATOM 0 H1 DG A 3 1.557 -0.745 3.926 1.00 0.00 H new ATOM 0 H21 DG A 3 1.448 -0.336 0.519 1.00 0.00 H new ATOM 0 H22 DG A 3 2.383 -0.254 2.015 1.00 0.00 H new ATOM 94 P DT A 4 -4.714 -5.866 -1.946 1.00 0.00 P ATOM 95 OP1 DT A 4 -5.932 -6.599 -2.346 1.00 0.00 O ATOM 96 OP2 DT A 4 -3.697 -6.521 -1.092 1.00 0.00 O ATOM 97 O5' DT A 4 -4.011 -5.267 -3.259 1.00 0.00 O ATOM 98 C5' DT A 4 -4.698 -4.301 -4.040 1.00 0.00 C ATOM 99 C4' DT A 4 -4.093 -4.069 -5.423 1.00 0.00 C ATOM 100 O4' DT A 4 -2.875 -3.360 -5.273 1.00 0.00 O ATOM 101 C3' DT A 4 -3.758 -5.334 -6.206 1.00 0.00 C ATOM 102 O3' DT A 4 -3.901 -5.006 -7.581 1.00 0.00 O ATOM 103 C2' DT A 4 -2.302 -5.563 -5.847 1.00 0.00 C ATOM 104 C1' DT A 4 -1.833 -4.116 -5.863 1.00 0.00 C ATOM 105 N1 DT A 4 -0.569 -3.979 -5.114 1.00 0.00 N ATOM 106 C2 DT A 4 0.623 -3.954 -5.843 1.00 0.00 C ATOM 107 O2 DT A 4 0.679 -3.927 -7.069 1.00 0.00 O ATOM 108 N3 DT A 4 1.788 -3.973 -5.107 1.00 0.00 N ATOM 109 C4 DT A 4 1.872 -3.954 -3.732 1.00 0.00 C ATOM 110 O4 DT A 4 2.984 -3.930 -3.218 1.00 0.00 O ATOM 111 C5 DT A 4 0.586 -3.961 -3.040 1.00 0.00 C ATOM 112 C7 DT A 4 0.539 -3.954 -1.527 1.00 0.00 C ATOM 113 C6 DT A 4 -0.576 -3.992 -3.741 1.00 0.00 C ATOM 0 H5' DT A 4 -4.712 -3.355 -3.498 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.735 -4.616 -4.157 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.858 -3.530 -5.981 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.373 -6.209 -5.997 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.176 -6.037 -4.874 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.780 -6.185 -6.574 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.630 -3.765 -6.875 1.00 0.00 H new ATOM 0 H3 DT A 4 2.665 -4.004 -5.626 1.00 0.00 H new ATOM 0 H71 DT A 4 -0.366 -3.446 -1.193 1.00 0.00 H new ATOM 0 H72 DT A 4 0.536 -4.980 -1.158 1.00 0.00 H new ATOM 0 H73 DT A 4 1.413 -3.431 -1.138 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.517 -4.027 -3.213 1.00 0.00 H new ATOM 126 P DT A 5 -4.247 -6.131 -8.679 1.00 0.00 P ATOM 127 OP1 DT A 5 -3.196 -7.168 -8.652 1.00 0.00 O ATOM 128 OP2 DT A 5 -4.580 -5.446 -9.946 1.00 0.00 O ATOM 129 O5' DT A 5 -5.589 -6.777 -8.069 1.00 0.00 O ATOM 130 C5' DT A 5 -6.633 -6.003 -7.498 1.00 0.00 C ATOM 131 C4' DT A 5 -7.457 -5.203 -8.512 1.00 0.00 C ATOM 132 O4' DT A 5 -8.068 -6.064 -9.466 1.00 0.00 O ATOM 133 C3' DT A 5 -8.592 -4.455 -7.788 1.00 0.00 C ATOM 134 O3' DT A 5 -8.733 -3.094 -8.161 1.00 0.00 O ATOM 135 C2' DT A 5 -9.856 -5.147 -8.283 1.00 0.00 C ATOM 136 C1' DT A 5 -9.366 -6.393 -9.014 1.00 0.00 C ATOM 137 N1 DT A 5 -9.389 -7.668 -8.254 1.00 0.00 N ATOM 138 C2 DT A 5 -9.478 -8.852 -8.997 1.00 0.00 C ATOM 139 O2 DT A 5 -9.429 -8.901 -10.224 1.00 0.00 O ATOM 140 N3 DT A 5 -9.659 -10.012 -8.277 1.00 0.00 N ATOM 141 C4 DT A 5 -9.761 -10.107 -6.905 1.00 0.00 C ATOM 142 O4 DT A 5 -9.955 -11.211 -6.415 1.00 0.00 O ATOM 143 C5 DT A 5 -9.626 -8.836 -6.192 1.00 0.00 C ATOM 144 C7 DT A 5 -9.667 -8.781 -4.674 1.00 0.00 C ATOM 145 C6 DT A 5 -9.459 -7.682 -6.885 1.00 0.00 C ATOM 0 H5' DT A 5 -6.202 -5.312 -6.773 1.00 0.00 H new ATOM 0 H5'' DT A 5 -7.301 -6.666 -6.948 1.00 0.00 H new ATOM 0 H4' DT A 5 -6.779 -4.510 -9.010 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.397 -4.475 -6.716 1.00 0.00 H new ATOM 0 H2' DT A 5 -10.513 -5.409 -7.453 1.00 0.00 H new ATOM 0 H2'' DT A 5 -10.426 -4.498 -8.948 1.00 0.00 H new ATOM 0 H1' DT A 5 -10.064 -6.622 -9.819 1.00 0.00 H new ATOM 0 H3 DT A 5 -9.724 -10.881 -8.807 1.00 0.00 H new ATOM 0 H71 DT A 5 -9.057 -7.948 -4.323 1.00 0.00 H new ATOM 0 H72 DT A 5 -10.696 -8.642 -4.343 1.00 0.00 H new ATOM 0 H73 DT A 5 -9.277 -9.713 -4.265 1.00 0.00 H new ATOM 0 H6 DT A 5 -9.379 -6.750 -6.344 1.00 0.00 H new ATOM 158 P DG A 6 -7.739 -1.929 -7.677 1.00 0.00 P ATOM 159 OP1 DG A 6 -7.977 -0.750 -8.525 1.00 0.00 O ATOM 160 OP2 DG A 6 -6.362 -2.472 -7.599 1.00 0.00 O ATOM 161 O5' DG A 6 -8.189 -1.551 -6.173 1.00 0.00 O ATOM 162 C5' DG A 6 -8.112 -2.482 -5.104 1.00 0.00 C ATOM 163 C4' DG A 6 -7.979 -1.844 -3.713 1.00 0.00 C ATOM 164 O4' DG A 6 -6.657 -1.855 -3.212 1.00 0.00 O ATOM 165 C3' DG A 6 -8.578 -0.466 -3.504 1.00 0.00 C ATOM 166 O3' DG A 6 -9.175 -0.456 -2.211 1.00 0.00 O ATOM 167 C2' DG A 6 -7.323 0.373 -3.568 1.00 0.00 C ATOM 168 C1' DG A 6 -6.183 -0.534 -3.083 1.00 0.00 C ATOM 169 N9 DG A 6 -5.018 -0.492 -3.976 1.00 0.00 N ATOM 170 C8 DG A 6 -5.093 -0.655 -5.319 1.00 0.00 C ATOM 171 N7 DG A 6 -3.955 -0.602 -5.958 1.00 0.00 N ATOM 172 C5 DG A 6 -3.030 -0.481 -4.901 1.00 0.00 C ATOM 173 C6 DG A 6 -1.590 -0.490 -4.898 1.00 0.00 C ATOM 174 O6 DG A 6 -0.797 -0.544 -5.838 1.00 0.00 O ATOM 175 N1 DG A 6 -1.047 -0.480 -3.628 1.00 0.00 N ATOM 176 C2 DG A 6 -1.773 -0.478 -2.479 1.00 0.00 C ATOM 177 N2 DG A 6 -1.062 -0.503 -1.374 1.00 0.00 N ATOM 178 N3 DG A 6 -3.107 -0.463 -2.430 1.00 0.00 N ATOM 179 C4 DG A 6 -3.678 -0.469 -3.677 1.00 0.00 C ATOM 0 H5' DG A 6 -7.259 -3.139 -5.272 1.00 0.00 H new ATOM 0 H5'' DG A 6 -9.004 -3.108 -5.119 1.00 0.00 H new ATOM 0 H4' DG A 6 -8.611 -2.520 -3.137 1.00 0.00 H new ATOM 0 H3' DG A 6 -9.349 -0.135 -4.200 1.00 0.00 H new ATOM 0 H2' DG A 6 -7.138 0.722 -4.584 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.413 1.258 -2.938 1.00 0.00 H new ATOM 0 H1' DG A 6 -5.901 -0.219 -2.078 1.00 0.00 H new ATOM 0 H8 DG A 6 -6.032 -0.818 -5.828 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.030 -0.474 -3.547 1.00 0.00 H new ATOM 0 H21 DG A 6 -1.529 -0.503 -0.467 1.00 0.00 H new ATOM 0 H22 DG A 6 -0.043 -0.522 -1.423 1.00 0.00 H new ATOM 191 P DC A 7 -9.865 0.844 -1.542 1.00 0.00 P ATOM 192 OP1 DC A 7 -10.773 0.354 -0.475 1.00 0.00 O ATOM 193 OP2 DC A 7 -10.369 1.716 -2.620 1.00 0.00 O ATOM 194 O5' DC A 7 -8.615 1.588 -0.838 1.00 0.00 O ATOM 195 C5' DC A 7 -7.999 1.005 0.290 1.00 0.00 C ATOM 196 C4' DC A 7 -6.631 1.575 0.660 1.00 0.00 C ATOM 197 O4' DC A 7 -5.586 1.183 -0.194 1.00 0.00 O ATOM 198 C3' DC A 7 -6.600 3.094 0.792 1.00 0.00 C ATOM 199 O3' DC A 7 -7.231 3.513 2.001 1.00 0.00 O ATOM 200 C2' DC A 7 -5.091 3.328 0.724 1.00 0.00 C ATOM 201 C1' DC A 7 -4.528 2.117 -0.031 1.00 0.00 C ATOM 202 N1 DC A 7 -4.090 2.511 -1.387 1.00 0.00 N ATOM 203 C2 DC A 7 -2.737 2.681 -1.678 1.00 0.00 C ATOM 204 O2 DC A 7 -1.893 2.650 -0.786 1.00 0.00 O ATOM 205 N3 DC A 7 -2.329 2.860 -2.962 1.00 0.00 N ATOM 206 C4 DC A 7 -3.257 2.943 -3.907 1.00 0.00 C ATOM 207 N4 DC A 7 -2.821 3.045 -5.140 1.00 0.00 N ATOM 208 C5 DC A 7 -4.663 2.861 -3.646 1.00 0.00 C ATOM 209 C6 DC A 7 -5.031 2.646 -2.362 1.00 0.00 C ATOM 0 H5' DC A 7 -7.891 -0.065 0.111 1.00 0.00 H new ATOM 0 H5'' DC A 7 -8.665 1.120 1.146 1.00 0.00 H new ATOM 0 H4' DC A 7 -6.462 1.133 1.642 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.148 3.667 0.044 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.860 4.258 0.204 1.00 0.00 H new ATOM 0 H2'' DC A 7 -4.659 3.405 1.722 1.00 0.00 H new ATOM 0 H1' DC A 7 -3.686 1.706 0.526 1.00 0.00 H new ATOM 0 H41 DC A 7 -3.485 3.112 -5.912 1.00 0.00 H new ATOM 0 H42 DC A 7 -1.818 3.057 -5.327 1.00 0.00 H new ATOM 0 H5 DC A 7 -5.393 2.966 -4.435 1.00 0.00 H new ATOM 0 H6 DC A 7 -6.079 2.581 -2.108 1.00 0.00 H new ATOM 221 P DT A 8 -7.148 5.022 2.566 1.00 0.00 P ATOM 222 OP1 DT A 8 -8.369 5.325 3.374 1.00 0.00 O ATOM 223 OP2 DT A 8 -6.762 5.940 1.485 1.00 0.00 O ATOM 224 O5' DT A 8 -5.948 4.940 3.627 1.00 0.00 O ATOM 225 C5' DT A 8 -5.947 3.909 4.602 1.00 0.00 C ATOM 226 C4' DT A 8 -5.035 4.174 5.797 1.00 0.00 C ATOM 227 O4' DT A 8 -3.707 3.797 5.534 1.00 0.00 O ATOM 228 C3' DT A 8 -4.973 5.644 6.204 1.00 0.00 C ATOM 229 O3' DT A 8 -6.133 6.066 6.911 1.00 0.00 O ATOM 230 C2' DT A 8 -3.701 5.627 7.046 1.00 0.00 C ATOM 231 C1' DT A 8 -2.850 4.519 6.402 1.00 0.00 C ATOM 232 N1 DT A 8 -1.719 5.083 5.624 1.00 0.00 N ATOM 233 C2 DT A 8 -0.544 5.403 6.316 1.00 0.00 C ATOM 234 O2 DT A 8 -0.415 5.254 7.527 1.00 0.00 O ATOM 235 N3 DT A 8 0.483 5.941 5.569 1.00 0.00 N ATOM 236 C4 DT A 8 0.455 6.170 4.206 1.00 0.00 C ATOM 237 O4 DT A 8 1.449 6.635 3.666 1.00 0.00 O ATOM 238 C5 DT A 8 -0.806 5.815 3.556 1.00 0.00 C ATOM 239 C7 DT A 8 -0.998 5.998 2.066 1.00 0.00 C ATOM 240 C6 DT A 8 -1.834 5.300 4.271 1.00 0.00 C ATOM 0 H5' DT A 8 -5.642 2.976 4.127 1.00 0.00 H new ATOM 0 H5'' DT A 8 -6.966 3.765 4.962 1.00 0.00 H new ATOM 0 H4' DT A 8 -5.477 3.581 6.598 1.00 0.00 H new ATOM 0 H3' DT A 8 -4.950 6.357 5.380 1.00 0.00 H new ATOM 0 H2' DT A 8 -3.191 6.590 7.020 1.00 0.00 H new ATOM 0 H2'' DT A 8 -3.916 5.409 8.092 1.00 0.00 H new ATOM 0 HO3' DT A 8 -6.044 7.012 7.150 1.00 0.00 H new ATOM 0 H1' DT A 8 -2.423 3.882 7.176 1.00 0.00 H new ATOM 0 H3 DT A 8 1.338 6.192 6.066 1.00 0.00 H new ATOM 0 H71 DT A 8 -1.697 5.249 1.694 1.00 0.00 H new ATOM 0 H72 DT A 8 -1.396 6.994 1.870 1.00 0.00 H new ATOM 0 H73 DT A 8 -0.040 5.884 1.559 1.00 0.00 H new ATOM 0 H6 DT A 8 -2.759 5.056 3.771 1.00 0.00 H new TER 254 DT A 8 ATOM 255 O5' DT B 9 9.942 -4.925 8.892 1.00 0.00 O ATOM 256 C5' DT B 9 10.014 -3.527 8.689 1.00 0.00 C ATOM 257 C4' DT B 9 8.723 -3.044 8.037 1.00 0.00 C ATOM 258 O4' DT B 9 7.679 -3.141 8.982 1.00 0.00 O ATOM 259 C3' DT B 9 8.809 -1.572 7.624 1.00 0.00 C ATOM 260 O3' DT B 9 8.875 -1.428 6.222 1.00 0.00 O ATOM 261 C2' DT B 9 7.511 -0.957 8.114 1.00 0.00 C ATOM 262 C1' DT B 9 6.729 -2.153 8.657 1.00 0.00 C ATOM 263 N1 DT B 9 5.974 -1.815 9.883 1.00 0.00 N ATOM 264 C2 DT B 9 4.587 -1.961 9.866 1.00 0.00 C ATOM 265 O2 DT B 9 3.955 -2.270 8.866 1.00 0.00 O ATOM 266 N3 DT B 9 3.934 -1.700 11.051 1.00 0.00 N ATOM 267 C4 DT B 9 4.525 -1.287 12.233 1.00 0.00 C ATOM 268 O4 DT B 9 3.803 -1.105 13.205 1.00 0.00 O ATOM 269 C5 DT B 9 5.981 -1.123 12.165 1.00 0.00 C ATOM 270 C7 DT B 9 6.823 -0.700 13.356 1.00 0.00 C ATOM 271 C6 DT B 9 6.639 -1.391 11.011 1.00 0.00 C ATOM 0 H5' DT B 9 10.867 -3.284 8.056 1.00 0.00 H new ATOM 0 H5'' DT B 9 10.167 -3.017 9.640 1.00 0.00 H new ATOM 0 H4' DT B 9 8.549 -3.659 7.154 1.00 0.00 H new ATOM 0 H3' DT B 9 9.702 -1.103 8.038 1.00 0.00 H new ATOM 0 H2' DT B 9 7.688 -0.209 8.887 1.00 0.00 H new ATOM 0 H2'' DT B 9 6.973 -0.459 7.307 1.00 0.00 H new ATOM 0 HO5' DT B 9 10.771 -5.238 9.310 1.00 0.00 H new ATOM 0 H1' DT B 9 6.010 -2.483 7.907 1.00 0.00 H new ATOM 0 H3 DT B 9 2.921 -1.822 11.058 1.00 0.00 H new ATOM 0 H71 DT B 9 7.819 -1.134 13.270 1.00 0.00 H new ATOM 0 H72 DT B 9 6.901 0.387 13.379 1.00 0.00 H new ATOM 0 H73 DT B 9 6.354 -1.049 14.276 1.00 0.00 H new ATOM 0 H6 DT B 9 7.711 -1.269 10.976 1.00 0.00 H new ATOM 285 P DC B 10 10.223 -1.767 5.422 1.00 0.00 P ATOM 286 OP1 DC B 10 10.209 -3.219 5.137 1.00 0.00 O ATOM 287 OP2 DC B 10 11.360 -1.166 6.138 1.00 0.00 O ATOM 288 O5' DC B 10 9.988 -0.990 4.040 1.00 0.00 O ATOM 289 C5' DC B 10 9.870 0.424 4.021 1.00 0.00 C ATOM 290 C4' DC B 10 8.695 0.826 3.132 1.00 0.00 C ATOM 291 O4' DC B 10 7.500 0.283 3.667 1.00 0.00 O ATOM 292 C3' DC B 10 8.535 2.337 3.003 1.00 0.00 C ATOM 293 O3' DC B 10 8.594 2.682 1.618 1.00 0.00 O ATOM 294 C2' DC B 10 7.152 2.521 3.593 1.00 0.00 C ATOM 295 C1' DC B 10 6.463 1.182 3.395 1.00 0.00 C ATOM 296 N1 DC B 10 5.320 0.901 4.287 1.00 0.00 N ATOM 297 C2 DC B 10 4.140 0.355 3.758 1.00 0.00 C ATOM 298 O2 DC B 10 3.981 0.196 2.547 1.00 0.00 O ATOM 299 N3 DC B 10 3.130 -0.017 4.587 1.00 0.00 N ATOM 300 C4 DC B 10 3.288 0.153 5.891 1.00 0.00 C ATOM 301 N4 DC B 10 2.337 -0.325 6.653 1.00 0.00 N ATOM 302 C5 DC B 10 4.453 0.753 6.469 1.00 0.00 C ATOM 303 C6 DC B 10 5.442 1.118 5.628 1.00 0.00 C ATOM 0 H5' DC B 10 10.791 0.871 3.648 1.00 0.00 H new ATOM 0 H5'' DC B 10 9.720 0.800 5.033 1.00 0.00 H new ATOM 0 H4' DC B 10 8.898 0.434 2.136 1.00 0.00 H new ATOM 0 H3' DC B 10 9.289 2.955 3.490 1.00 0.00 H new ATOM 0 H2' DC B 10 7.205 2.786 4.649 1.00 0.00 H new ATOM 0 H2'' DC B 10 6.611 3.322 3.090 1.00 0.00 H new ATOM 0 H1' DC B 10 6.014 1.130 2.403 1.00 0.00 H new ATOM 0 H41 DC B 10 2.398 -0.227 7.666 1.00 0.00 H new ATOM 0 H42 DC B 10 1.535 -0.795 6.233 1.00 0.00 H new ATOM 0 H5 DC B 10 4.536 0.907 7.535 1.00 0.00 H new ATOM 0 H6 DC B 10 6.335 1.584 6.018 1.00 0.00 H new ATOM 315 P DG B 11 8.662 4.213 1.094 1.00 0.00 P ATOM 316 OP1 DG B 11 9.426 4.242 -0.183 1.00 0.00 O ATOM 317 OP2 DG B 11 9.096 5.069 2.215 1.00 0.00 O ATOM 318 O5' DG B 11 7.123 4.559 0.763 1.00 0.00 O ATOM 319 C5' DG B 11 6.599 4.410 -0.552 1.00 0.00 C ATOM 320 C4' DG B 11 5.111 4.756 -0.645 1.00 0.00 C ATOM 321 O4' DG B 11 4.416 3.709 -0.008 1.00 0.00 O ATOM 322 C3' DG B 11 4.691 6.071 0.031 1.00 0.00 C ATOM 323 O3' DG B 11 4.540 7.230 -0.779 1.00 0.00 O ATOM 324 C2' DG B 11 3.271 5.730 0.460 1.00 0.00 C ATOM 325 C1' DG B 11 3.182 4.206 0.441 1.00 0.00 C ATOM 326 N9 DG B 11 2.984 3.703 1.801 1.00 0.00 N ATOM 327 C8 DG B 11 3.855 3.820 2.834 1.00 0.00 C ATOM 328 N7 DG B 11 3.366 3.466 3.995 1.00 0.00 N ATOM 329 C5 DG B 11 2.056 3.066 3.684 1.00 0.00 C ATOM 330 C6 DG B 11 0.956 2.602 4.497 1.00 0.00 C ATOM 331 O6 DG B 11 0.868 2.452 5.713 1.00 0.00 O ATOM 332 N1 DG B 11 -0.177 2.311 3.758 1.00 0.00 N ATOM 333 C2 DG B 11 -0.273 2.464 2.415 1.00 0.00 C ATOM 334 N2 DG B 11 -1.435 2.206 1.880 1.00 0.00 N ATOM 335 N3 DG B 11 0.705 2.901 1.630 1.00 0.00 N ATOM 336 C4 DG B 11 1.840 3.183 2.328 1.00 0.00 C ATOM 0 H5' DG B 11 6.749 3.382 -0.883 1.00 0.00 H new ATOM 0 H5'' DG B 11 7.159 5.049 -1.235 1.00 0.00 H new ATOM 0 H4' DG B 11 4.883 4.882 -1.703 1.00 0.00 H new ATOM 0 H3' DG B 11 5.458 6.336 0.759 1.00 0.00 H new ATOM 0 H2' DG B 11 3.059 6.121 1.455 1.00 0.00 H new ATOM 0 H2'' DG B 11 2.541 6.172 -0.218 1.00 0.00 H new ATOM 0 H1' DG B 11 2.356 3.896 -0.200 1.00 0.00 H new ATOM 0 H8 DG B 11 4.867 4.175 2.709 1.00 0.00 H new ATOM 0 H1 DG B 11 -0.994 1.958 4.257 1.00 0.00 H new ATOM 0 H21 DG B 11 -1.566 2.304 0.873 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.212 1.906 2.469 1.00 0.00 H new ATOM 348 P DT B 12 5.692 7.868 -1.700 1.00 0.00 P ATOM 349 OP1 DT B 12 7.024 7.426 -1.235 1.00 0.00 O ATOM 350 OP2 DT B 12 5.425 9.310 -1.865 1.00 0.00 O ATOM 351 O5' DT B 12 5.368 7.150 -3.099 1.00 0.00 O ATOM 352 C5' DT B 12 4.310 7.652 -3.891 1.00 0.00 C ATOM 353 C4' DT B 12 3.964 6.720 -5.055 1.00 0.00 C ATOM 354 O4' DT B 12 2.916 5.844 -4.630 1.00 0.00 O ATOM 355 C3' DT B 12 3.396 7.519 -6.237 1.00 0.00 C ATOM 356 O3' DT B 12 3.579 6.797 -7.442 1.00 0.00 O ATOM 357 C2' DT B 12 1.929 7.539 -5.882 1.00 0.00 C ATOM 358 C1' DT B 12 1.758 6.105 -5.422 1.00 0.00 C ATOM 359 N1 DT B 12 0.466 6.028 -4.711 1.00 0.00 N ATOM 360 C2 DT B 12 -0.704 5.924 -5.473 1.00 0.00 C ATOM 361 O2 DT B 12 -0.720 5.813 -6.697 1.00 0.00 O ATOM 362 N3 DT B 12 -1.889 5.976 -4.773 1.00 0.00 N ATOM 363 C4 DT B 12 -2.018 6.070 -3.403 1.00 0.00 C ATOM 364 O4 DT B 12 -3.145 6.056 -2.923 1.00 0.00 O ATOM 365 C5 DT B 12 -0.753 6.191 -2.678 1.00 0.00 C ATOM 366 C7 DT B 12 -0.732 6.288 -1.165 1.00 0.00 C ATOM 367 C6 DT B 12 0.424 6.200 -3.354 1.00 0.00 C ATOM 0 H5' DT B 12 4.585 8.632 -4.282 1.00 0.00 H new ATOM 0 H5'' DT B 12 3.428 7.794 -3.267 1.00 0.00 H new ATOM 0 H4' DT B 12 4.867 6.187 -5.352 1.00 0.00 H new ATOM 0 H3' DT B 12 3.851 8.498 -6.386 1.00 0.00 H new ATOM 0 H2' DT B 12 1.699 8.260 -5.098 1.00 0.00 H new ATOM 0 H2'' DT B 12 1.296 7.783 -6.735 1.00 0.00 H new ATOM 0 H1' DT B 12 1.705 5.347 -6.203 1.00 0.00 H new ATOM 0 H3 DT B 12 -2.751 5.942 -5.318 1.00 0.00 H new ATOM 0 H71 DT B 12 0.192 5.851 -0.785 1.00 0.00 H new ATOM 0 H72 DT B 12 -0.788 7.335 -0.867 1.00 0.00 H new ATOM 0 H73 DT B 12 -1.585 5.748 -0.754 1.00 0.00 H new ATOM 0 H6 DT B 12 1.346 6.346 -2.810 1.00 0.00 H new ATOM 380 P DT B 13 4.625 7.251 -8.563 1.00 0.00 P ATOM 381 OP1 DT B 13 4.230 8.614 -8.989 1.00 0.00 O ATOM 382 OP2 DT B 13 4.627 6.188 -9.585 1.00 0.00 O ATOM 383 O5' DT B 13 6.067 7.297 -7.845 1.00 0.00 O ATOM 384 C5' DT B 13 6.489 8.385 -7.036 1.00 0.00 C ATOM 385 C4' DT B 13 7.954 8.168 -6.635 1.00 0.00 C ATOM 386 O4' DT B 13 8.807 8.980 -7.433 1.00 0.00 O ATOM 387 C3' DT B 13 8.251 8.533 -5.161 1.00 0.00 C ATOM 388 O3' DT B 13 8.668 7.494 -4.272 1.00 0.00 O ATOM 389 C2' DT B 13 9.306 9.633 -5.266 1.00 0.00 C ATOM 390 C1' DT B 13 9.143 10.142 -6.696 1.00 0.00 C ATOM 391 N1 DT B 13 8.136 11.212 -6.928 1.00 0.00 N ATOM 392 C2 DT B 13 8.190 11.880 -8.156 1.00 0.00 C ATOM 393 O2 DT B 13 9.035 11.671 -9.018 1.00 0.00 O ATOM 394 N3 DT B 13 7.245 12.858 -8.365 1.00 0.00 N ATOM 395 C4 DT B 13 6.281 13.263 -7.463 1.00 0.00 C ATOM 396 O4 DT B 13 5.518 14.162 -7.794 1.00 0.00 O ATOM 397 C5 DT B 13 6.314 12.559 -6.178 1.00 0.00 C ATOM 398 C7 DT B 13 5.372 12.927 -5.041 1.00 0.00 C ATOM 399 C6 DT B 13 7.233 11.587 -5.961 1.00 0.00 C ATOM 0 H5' DT B 13 5.862 8.459 -6.147 1.00 0.00 H new ATOM 0 H5'' DT B 13 6.382 9.323 -7.581 1.00 0.00 H new ATOM 0 H4' DT B 13 8.137 7.104 -6.781 1.00 0.00 H new ATOM 0 H3' DT B 13 7.313 8.821 -4.687 1.00 0.00 H new ATOM 0 H2' DT B 13 9.136 10.424 -4.536 1.00 0.00 H new ATOM 0 H2'' DT B 13 10.309 9.246 -5.089 1.00 0.00 H new ATOM 0 H1' DT B 13 10.066 10.639 -6.994 1.00 0.00 H new ATOM 0 H3 DT B 13 7.258 13.328 -9.270 1.00 0.00 H new ATOM 0 H71 DT B 13 5.165 12.042 -4.439 1.00 0.00 H new ATOM 0 H72 DT B 13 5.836 13.691 -4.417 1.00 0.00 H new ATOM 0 H73 DT B 13 4.439 13.312 -5.452 1.00 0.00 H new ATOM 0 H6 DT B 13 7.257 11.093 -5.001 1.00 0.00 H new ATOM 412 P DG B 14 9.701 6.292 -4.624 1.00 0.00 P ATOM 413 OP1 DG B 14 9.970 5.649 -3.307 1.00 0.00 O ATOM 414 OP2 DG B 14 10.821 6.828 -5.413 1.00 0.00 O ATOM 415 O5' DG B 14 8.860 5.271 -5.556 1.00 0.00 O ATOM 416 C5' DG B 14 7.498 4.952 -5.312 1.00 0.00 C ATOM 417 C4' DG B 14 7.344 4.043 -4.101 1.00 0.00 C ATOM 418 O4' DG B 14 6.015 3.983 -3.658 1.00 0.00 O ATOM 419 C3' DG B 14 7.939 2.657 -4.270 1.00 0.00 C ATOM 420 O3' DG B 14 8.774 2.407 -3.150 1.00 0.00 O ATOM 421 C2' DG B 14 6.681 1.816 -4.284 1.00 0.00 C ATOM 422 C1' DG B 14 5.596 2.646 -3.586 1.00 0.00 C ATOM 423 N9 DG B 14 4.355 2.693 -4.356 1.00 0.00 N ATOM 424 C8 DG B 14 4.292 3.029 -5.668 1.00 0.00 C ATOM 425 N7 DG B 14 3.091 3.004 -6.182 1.00 0.00 N ATOM 426 C5 DG B 14 2.281 2.757 -5.058 1.00 0.00 C ATOM 427 C6 DG B 14 0.850 2.729 -4.899 1.00 0.00 C ATOM 428 O6 DG B 14 -0.043 2.834 -5.739 1.00 0.00 O ATOM 429 N1 DG B 14 0.452 2.614 -3.581 1.00 0.00 N ATOM 430 C2 DG B 14 1.304 2.497 -2.527 1.00 0.00 C ATOM 431 N2 DG B 14 0.741 2.391 -1.347 1.00 0.00 N ATOM 432 N3 DG B 14 2.631 2.481 -2.632 1.00 0.00 N ATOM 433 C4 DG B 14 3.058 2.629 -3.922 1.00 0.00 C ATOM 0 H5' DG B 14 7.075 4.464 -6.190 1.00 0.00 H new ATOM 0 H5'' DG B 14 6.932 5.870 -5.153 1.00 0.00 H new ATOM 0 H4' DG B 14 7.943 4.516 -3.322 1.00 0.00 H new ATOM 0 H3' DG B 14 8.563 2.479 -5.146 1.00 0.00 H new ATOM 0 H2' DG B 14 6.387 1.574 -5.305 1.00 0.00 H new ATOM 0 H2'' DG B 14 6.840 0.871 -3.765 1.00 0.00 H new ATOM 0 H1' DG B 14 5.446 2.220 -2.594 1.00 0.00 H new ATOM 0 H8 DG B 14 5.166 3.296 -6.243 1.00 0.00 H new ATOM 0 H1 DG B 14 -0.549 2.617 -3.385 1.00 0.00 H new ATOM 0 H21 DG B 14 1.320 2.300 -0.512 1.00 0.00 H new ATOM 0 H22 DG B 14 -0.276 2.400 -1.264 1.00 0.00 H new ATOM 445 P DC B 15 9.499 0.998 -2.866 1.00 0.00 P ATOM 446 OP1 DC B 15 10.629 1.372 -1.986 1.00 0.00 O ATOM 447 OP2 DC B 15 9.735 0.335 -4.165 1.00 0.00 O ATOM 448 O5' DC B 15 8.371 0.190 -2.044 1.00 0.00 O ATOM 449 C5' DC B 15 7.948 0.641 -0.772 1.00 0.00 C ATOM 450 C4' DC B 15 6.611 0.050 -0.319 1.00 0.00 C ATOM 451 O4' DC B 15 5.471 0.576 -0.952 1.00 0.00 O ATOM 452 C3' DC B 15 6.521 -1.469 -0.369 1.00 0.00 C ATOM 453 O3' DC B 15 7.295 -2.022 0.687 1.00 0.00 O ATOM 454 C2' DC B 15 5.010 -1.656 -0.238 1.00 0.00 C ATOM 455 C1' DC B 15 4.403 -0.342 -0.753 1.00 0.00 C ATOM 456 N1 DC B 15 3.765 -0.548 -2.072 1.00 0.00 N ATOM 457 C2 DC B 15 2.378 -0.622 -2.196 1.00 0.00 C ATOM 458 O2 DC B 15 1.648 -0.609 -1.206 1.00 0.00 O ATOM 459 N3 DC B 15 1.806 -0.697 -3.429 1.00 0.00 N ATOM 460 C4 DC B 15 2.598 -0.731 -4.492 1.00 0.00 C ATOM 461 N4 DC B 15 2.007 -0.766 -5.660 1.00 0.00 N ATOM 462 C5 DC B 15 4.026 -0.697 -4.415 1.00 0.00 C ATOM 463 C6 DC B 15 4.561 -0.613 -3.173 1.00 0.00 C ATOM 0 H5' DC B 15 7.866 1.728 -0.791 1.00 0.00 H new ATOM 0 H5'' DC B 15 8.712 0.392 -0.036 1.00 0.00 H new ATOM 0 H4' DC B 15 6.606 0.368 0.724 1.00 0.00 H new ATOM 0 H3' DC B 15 6.916 -1.968 -1.254 1.00 0.00 H new ATOM 0 H2' DC B 15 4.665 -2.507 -0.825 1.00 0.00 H new ATOM 0 H2'' DC B 15 4.723 -1.845 0.797 1.00 0.00 H new ATOM 0 H1' DC B 15 3.666 0.018 -0.035 1.00 0.00 H new ATOM 0 H41 DC B 15 2.565 -0.793 -6.513 1.00 0.00 H new ATOM 0 H42 DC B 15 0.989 -0.766 -5.716 1.00 0.00 H new ATOM 0 H5 DC B 15 4.645 -0.736 -5.299 1.00 0.00 H new ATOM 0 H6 DC B 15 5.634 -0.597 -3.056 1.00 0.00 H new ATOM 475 P DT B 16 7.293 -3.585 1.073 1.00 0.00 P ATOM 476 OP1 DT B 16 8.685 -3.982 1.459 1.00 0.00 O ATOM 477 OP2 DT B 16 6.620 -4.351 0.013 1.00 0.00 O ATOM 478 O5' DT B 16 6.357 -3.596 2.392 1.00 0.00 O ATOM 479 C5' DT B 16 6.555 -2.654 3.442 1.00 0.00 C ATOM 480 C4' DT B 16 5.916 -3.045 4.776 1.00 0.00 C ATOM 481 O4' DT B 16 4.568 -2.647 4.845 1.00 0.00 O ATOM 482 C3' DT B 16 5.934 -4.546 5.048 1.00 0.00 C ATOM 483 O3' DT B 16 7.210 -4.952 5.516 1.00 0.00 O ATOM 484 C2' DT B 16 4.820 -4.666 6.083 1.00 0.00 C ATOM 485 C1' DT B 16 3.870 -3.511 5.728 1.00 0.00 C ATOM 486 N1 DT B 16 2.633 -3.998 5.062 1.00 0.00 N ATOM 487 C2 DT B 16 1.600 -4.466 5.885 1.00 0.00 C ATOM 488 O2 DT B 16 1.674 -4.516 7.109 1.00 0.00 O ATOM 489 N3 DT B 16 0.463 -4.921 5.250 1.00 0.00 N ATOM 490 C4 DT B 16 0.253 -4.943 3.888 1.00 0.00 C ATOM 491 O4 DT B 16 -0.813 -5.377 3.462 1.00 0.00 O ATOM 492 C5 DT B 16 1.369 -4.432 3.093 1.00 0.00 C ATOM 493 C7 DT B 16 1.266 -4.351 1.584 1.00 0.00 C ATOM 494 C6 DT B 16 2.506 -3.995 3.689 1.00 0.00 C ATOM 0 H5' DT B 16 6.152 -1.691 3.129 1.00 0.00 H new ATOM 0 H5'' DT B 16 7.626 -2.517 3.593 1.00 0.00 H new ATOM 0 H4' DT B 16 6.525 -2.531 5.519 1.00 0.00 H new ATOM 0 H3' DT B 16 5.770 -5.190 4.184 1.00 0.00 H new ATOM 0 H2' DT B 16 4.318 -5.631 6.021 1.00 0.00 H new ATOM 0 H2'' DT B 16 5.204 -4.571 7.099 1.00 0.00 H new ATOM 0 HO3' DT B 16 7.204 -5.917 5.687 1.00 0.00 H new ATOM 0 H1' DT B 16 3.567 -2.999 6.642 1.00 0.00 H new ATOM 0 H3 DT B 16 -0.290 -5.273 5.842 1.00 0.00 H new ATOM 0 H71 DT B 16 1.875 -3.523 1.222 1.00 0.00 H new ATOM 0 H72 DT B 16 1.622 -5.283 1.144 1.00 0.00 H new ATOM 0 H73 DT B 16 0.227 -4.189 1.298 1.00 0.00 H new ATOM 0 H6 DT B 16 3.324 -3.640 3.080 1.00 0.00 H new TER 508 DT B 16