USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=7 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 4 DT C7 :methyl -30:sc= -0.0807 (180deg=0) USER MOD Set 1.2: B 16 DT C7 :methyl -30:sc= -0.0299 (180deg=-0.87) USER MOD Set 2.1: A 8 DT C7 :methyl -30:sc= 0 (180deg=-0.215) USER MOD Set 2.2: B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT C7 :methyl 150:sc= -0.194 (180deg=-0.194) USER MOD Single : A 1 DT O5' : rot -23:sc= 0.00496 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= -0.099 (180deg=-0.099) USER MOD Single : B 9 DT O5' : rot -28:sc= 0.0122 USER MOD Single : B 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DT O3' : rot 180:sc= -0.248 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 9.977 0.178 -11.236 1.00 0.00 O ATOM 2 C5' DT A 1 9.710 -0.094 -9.876 1.00 0.00 C ATOM 3 C4' DT A 1 9.747 1.174 -9.003 1.00 0.00 C ATOM 4 O4' DT A 1 8.803 2.101 -9.526 1.00 0.00 O ATOM 5 C3' DT A 1 9.309 0.911 -7.554 1.00 0.00 C ATOM 6 O3' DT A 1 9.757 1.929 -6.657 1.00 0.00 O ATOM 7 C2' DT A 1 7.803 1.070 -7.683 1.00 0.00 C ATOM 8 C1' DT A 1 7.748 2.303 -8.592 1.00 0.00 C ATOM 9 N1 DT A 1 6.458 2.573 -9.276 1.00 0.00 N ATOM 10 C2 DT A 1 6.421 3.531 -10.296 1.00 0.00 C ATOM 11 O2 DT A 1 7.345 4.285 -10.594 1.00 0.00 O ATOM 12 N3 DT A 1 5.234 3.661 -10.977 1.00 0.00 N ATOM 13 C4 DT A 1 4.056 3.013 -10.676 1.00 0.00 C ATOM 14 O4 DT A 1 3.076 3.237 -11.374 1.00 0.00 O ATOM 15 C5 DT A 1 4.126 2.138 -9.508 1.00 0.00 C ATOM 16 C7 DT A 1 2.890 1.390 -9.035 1.00 0.00 C ATOM 17 C6 DT A 1 5.299 1.963 -8.844 1.00 0.00 C ATOM 0 H5' DT A 1 10.441 -0.810 -9.502 1.00 0.00 H new ATOM 0 H5'' DT A 1 8.730 -0.563 -9.788 1.00 0.00 H new ATOM 0 H4' DT A 1 10.775 1.537 -9.012 1.00 0.00 H new ATOM 0 H3' DT A 1 9.685 -0.037 -7.170 1.00 0.00 H new ATOM 0 H2' DT A 1 7.328 0.198 -8.133 1.00 0.00 H new ATOM 0 H2'' DT A 1 7.317 1.238 -6.722 1.00 0.00 H new ATOM 0 HO5' DT A 1 9.769 1.116 -11.429 1.00 0.00 H new ATOM 0 H1' DT A 1 7.855 3.198 -7.979 1.00 0.00 H new ATOM 0 H3 DT A 1 5.224 4.294 -11.777 1.00 0.00 H new ATOM 0 H71 DT A 1 3.189 0.454 -8.563 1.00 0.00 H new ATOM 0 H72 DT A 1 2.348 2.002 -8.314 1.00 0.00 H new ATOM 0 H73 DT A 1 2.245 1.177 -9.888 1.00 0.00 H new ATOM 0 H6 DT A 1 5.324 1.337 -7.965 1.00 0.00 H new ATOM 31 P DG A 2 10.926 1.686 -5.582 1.00 0.00 P ATOM 32 OP1 DG A 2 11.386 2.998 -5.064 1.00 0.00 O ATOM 33 OP2 DG A 2 11.870 0.685 -6.113 1.00 0.00 O ATOM 34 O5' DG A 2 10.146 1.071 -4.336 1.00 0.00 O ATOM 35 C5' DG A 2 9.733 -0.275 -4.279 1.00 0.00 C ATOM 36 C4' DG A 2 9.048 -0.456 -2.925 1.00 0.00 C ATOM 37 O4' DG A 2 7.804 0.223 -2.903 1.00 0.00 O ATOM 38 C3' DG A 2 8.850 -1.920 -2.551 1.00 0.00 C ATOM 39 O3' DG A 2 9.337 -2.274 -1.247 1.00 0.00 O ATOM 40 C2' DG A 2 7.362 -2.075 -2.772 1.00 0.00 C ATOM 41 C1' DG A 2 6.770 -0.675 -2.565 1.00 0.00 C ATOM 42 N9 DG A 2 5.695 -0.381 -3.528 1.00 0.00 N ATOM 43 C8 DG A 2 5.802 -0.529 -4.874 1.00 0.00 C ATOM 44 N7 DG A 2 4.730 -0.220 -5.551 1.00 0.00 N ATOM 45 C5 DG A 2 3.844 0.216 -4.552 1.00 0.00 C ATOM 46 C6 DG A 2 2.492 0.697 -4.620 1.00 0.00 C ATOM 47 O6 DG A 2 1.744 0.818 -5.592 1.00 0.00 O ATOM 48 N1 DG A 2 1.978 1.076 -3.398 1.00 0.00 N ATOM 49 C2 DG A 2 2.659 0.970 -2.226 1.00 0.00 C ATOM 50 N2 DG A 2 2.027 1.384 -1.159 1.00 0.00 N ATOM 51 N3 DG A 2 3.895 0.487 -2.106 1.00 0.00 N ATOM 52 C4 DG A 2 4.443 0.138 -3.306 1.00 0.00 C ATOM 0 H5' DG A 2 10.585 -0.948 -4.377 1.00 0.00 H new ATOM 0 H5'' DG A 2 9.049 -0.507 -5.095 1.00 0.00 H new ATOM 0 H4' DG A 2 9.715 -0.023 -2.180 1.00 0.00 H new ATOM 0 H3' DG A 2 9.440 -2.621 -3.142 1.00 0.00 H new ATOM 0 H2' DG A 2 7.151 -2.446 -3.775 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.933 -2.790 -2.070 1.00 0.00 H new ATOM 0 H1' DG A 2 6.385 -0.599 -1.548 1.00 0.00 H new ATOM 0 H8 DG A 2 6.707 -0.877 -5.349 1.00 0.00 H new ATOM 0 H1 DG A 2 1.033 1.458 -3.372 1.00 0.00 H new ATOM 0 H21 DG A 2 2.480 1.333 -0.246 1.00 0.00 H new ATOM 0 H22 DG A 2 1.081 1.758 -1.239 1.00 0.00 H new ATOM 64 P DC A 3 8.848 -1.673 0.190 1.00 0.00 P ATOM 65 OP1 DC A 3 8.683 -0.208 0.098 1.00 0.00 O ATOM 66 OP2 DC A 3 9.808 -2.114 1.223 1.00 0.00 O ATOM 67 O5' DC A 3 7.416 -2.384 0.435 1.00 0.00 O ATOM 68 C5' DC A 3 6.597 -2.035 1.541 1.00 0.00 C ATOM 69 C4' DC A 3 5.260 -2.805 1.588 1.00 0.00 C ATOM 70 O4' DC A 3 4.456 -2.423 0.496 1.00 0.00 O ATOM 71 C3' DC A 3 5.355 -4.337 1.542 1.00 0.00 C ATOM 72 O3' DC A 3 5.168 -4.974 2.802 1.00 0.00 O ATOM 73 C2' DC A 3 4.161 -4.750 0.701 1.00 0.00 C ATOM 74 C1' DC A 3 3.505 -3.446 0.288 1.00 0.00 C ATOM 75 N1 DC A 3 3.154 -3.427 -1.148 1.00 0.00 N ATOM 76 C2 DC A 3 1.839 -3.222 -1.572 1.00 0.00 C ATOM 77 O2 DC A 3 0.907 -3.228 -0.781 1.00 0.00 O ATOM 78 N3 DC A 3 1.562 -2.936 -2.866 1.00 0.00 N ATOM 79 C4 DC A 3 2.566 -2.892 -3.722 1.00 0.00 C ATOM 80 N4 DC A 3 2.293 -2.509 -4.940 1.00 0.00 N ATOM 81 C5 DC A 3 3.913 -3.145 -3.348 1.00 0.00 C ATOM 82 C6 DC A 3 4.167 -3.417 -2.053 1.00 0.00 C ATOM 0 H5' DC A 3 6.390 -0.966 1.505 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.147 -2.222 2.463 1.00 0.00 H new ATOM 0 H4' DC A 3 4.844 -2.540 2.560 1.00 0.00 H new ATOM 0 H3' DC A 3 6.343 -4.618 1.178 1.00 0.00 H new ATOM 0 H2' DC A 3 4.472 -5.329 -0.169 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.474 -5.375 1.271 1.00 0.00 H new ATOM 0 H1' DC A 3 2.591 -3.317 0.868 1.00 0.00 H new ATOM 0 H41 DC A 3 3.036 -2.459 -5.637 1.00 0.00 H new ATOM 0 H42 DC A 3 1.337 -2.260 -5.194 1.00 0.00 H new ATOM 0 H5 DC A 3 4.708 -3.120 -4.078 1.00 0.00 H new ATOM 0 H6 DC A 3 5.177 -3.627 -1.734 1.00 0.00 H new ATOM 94 P DT A 4 6.421 -5.280 3.749 1.00 0.00 P ATOM 95 OP1 DT A 4 7.617 -4.696 3.117 1.00 0.00 O ATOM 96 OP2 DT A 4 6.451 -6.719 4.084 1.00 0.00 O ATOM 97 O5' DT A 4 6.228 -4.527 5.144 1.00 0.00 O ATOM 98 C5' DT A 4 5.633 -3.250 5.290 1.00 0.00 C ATOM 99 C4' DT A 4 4.256 -3.356 5.972 1.00 0.00 C ATOM 100 O4' DT A 4 3.150 -3.494 5.132 1.00 0.00 O ATOM 101 C3' DT A 4 4.127 -4.529 6.931 1.00 0.00 C ATOM 102 O3' DT A 4 4.801 -4.254 8.138 1.00 0.00 O ATOM 103 C2' DT A 4 2.628 -4.584 7.145 1.00 0.00 C ATOM 104 C1' DT A 4 2.046 -3.768 5.998 1.00 0.00 C ATOM 105 N1 DT A 4 0.947 -4.490 5.314 1.00 0.00 N ATOM 106 C2 DT A 4 -0.262 -4.712 5.983 1.00 0.00 C ATOM 107 O2 DT A 4 -0.454 -4.441 7.164 1.00 0.00 O ATOM 108 N3 DT A 4 -1.274 -5.289 5.244 1.00 0.00 N ATOM 109 C4 DT A 4 -1.191 -5.666 3.920 1.00 0.00 C ATOM 110 O4 DT A 4 -2.187 -6.141 3.381 1.00 0.00 O ATOM 111 C5 DT A 4 0.115 -5.444 3.302 1.00 0.00 C ATOM 112 C7 DT A 4 0.349 -5.819 1.854 1.00 0.00 C ATOM 113 C6 DT A 4 1.123 -4.877 4.015 1.00 0.00 C ATOM 0 H5' DT A 4 5.523 -2.782 4.312 1.00 0.00 H new ATOM 0 H5'' DT A 4 6.286 -2.606 5.879 1.00 0.00 H new ATOM 0 H4' DT A 4 4.236 -2.388 6.472 1.00 0.00 H new ATOM 0 H3' DT A 4 4.554 -5.462 6.563 1.00 0.00 H new ATOM 0 H2' DT A 4 2.262 -5.611 7.127 1.00 0.00 H new ATOM 0 H2'' DT A 4 2.350 -4.164 8.112 1.00 0.00 H new ATOM 0 H1' DT A 4 1.587 -2.843 6.348 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.162 -5.451 5.719 1.00 0.00 H new ATOM 0 H71 DT A 4 -0.287 -6.664 1.590 1.00 0.00 H new ATOM 0 H72 DT A 4 0.108 -4.970 1.215 1.00 0.00 H new ATOM 0 H73 DT A 4 1.395 -6.093 1.714 1.00 0.00 H new ATOM 0 H6 DT A 4 2.084 -4.729 3.545 1.00 0.00 H new ATOM 126 P DT A 5 5.589 -5.399 8.923 1.00 0.00 P ATOM 127 OP1 DT A 5 6.608 -5.964 8.017 1.00 0.00 O ATOM 128 OP2 DT A 5 4.590 -6.376 9.401 1.00 0.00 O ATOM 129 O5' DT A 5 6.327 -4.638 10.138 1.00 0.00 O ATOM 130 C5' DT A 5 7.513 -3.888 9.889 1.00 0.00 C ATOM 131 C4' DT A 5 7.238 -2.540 9.205 1.00 0.00 C ATOM 132 O4' DT A 5 6.972 -1.532 10.160 1.00 0.00 O ATOM 133 C3' DT A 5 8.435 -1.996 8.431 1.00 0.00 C ATOM 134 O3' DT A 5 8.531 -2.599 7.148 1.00 0.00 O ATOM 135 C2' DT A 5 8.091 -0.512 8.356 1.00 0.00 C ATOM 136 C1' DT A 5 7.133 -0.278 9.529 1.00 0.00 C ATOM 137 N1 DT A 5 7.553 0.744 10.520 1.00 0.00 N ATOM 138 C2 DT A 5 6.584 1.600 11.046 1.00 0.00 C ATOM 139 O2 DT A 5 5.415 1.616 10.665 1.00 0.00 O ATOM 140 N3 DT A 5 6.989 2.482 12.025 1.00 0.00 N ATOM 141 C4 DT A 5 8.277 2.617 12.506 1.00 0.00 C ATOM 142 O4 DT A 5 8.489 3.449 13.375 1.00 0.00 O ATOM 143 C5 DT A 5 9.251 1.716 11.882 1.00 0.00 C ATOM 144 C7 DT A 5 10.710 1.752 12.312 1.00 0.00 C ATOM 145 C6 DT A 5 8.868 0.832 10.931 1.00 0.00 C ATOM 0 H5' DT A 5 8.184 -4.477 9.263 1.00 0.00 H new ATOM 0 H5'' DT A 5 8.030 -3.712 10.832 1.00 0.00 H new ATOM 0 H4' DT A 5 6.399 -2.748 8.541 1.00 0.00 H new ATOM 0 H3' DT A 5 9.404 -2.194 8.889 1.00 0.00 H new ATOM 0 H2' DT A 5 8.984 0.107 8.444 1.00 0.00 H new ATOM 0 H2'' DT A 5 7.622 -0.261 7.405 1.00 0.00 H new ATOM 0 H1' DT A 5 6.208 0.131 9.123 1.00 0.00 H new ATOM 0 H3 DT A 5 6.275 3.088 12.430 1.00 0.00 H new ATOM 0 H71 DT A 5 11.150 0.762 12.190 1.00 0.00 H new ATOM 0 H72 DT A 5 11.253 2.469 11.696 1.00 0.00 H new ATOM 0 H73 DT A 5 10.774 2.051 13.358 1.00 0.00 H new ATOM 0 H6 DT A 5 9.606 0.182 10.485 1.00 0.00 H new ATOM 158 P DC A 6 9.787 -2.334 6.155 1.00 0.00 P ATOM 159 OP1 DC A 6 10.236 -3.685 5.677 1.00 0.00 O ATOM 160 OP2 DC A 6 10.734 -1.431 6.801 1.00 0.00 O ATOM 161 O5' DC A 6 9.114 -1.580 4.889 1.00 0.00 O ATOM 162 C5' DC A 6 9.049 -0.157 4.841 1.00 0.00 C ATOM 163 C4' DC A 6 7.928 0.315 3.907 1.00 0.00 C ATOM 164 O4' DC A 6 6.686 -0.194 4.328 1.00 0.00 O ATOM 165 C3' DC A 6 7.781 1.838 3.836 1.00 0.00 C ATOM 166 O3' DC A 6 8.525 2.262 2.700 1.00 0.00 O ATOM 167 C2' DC A 6 6.263 2.029 3.758 1.00 0.00 C ATOM 168 C1' DC A 6 5.682 0.615 3.761 1.00 0.00 C ATOM 169 N1 DC A 6 4.498 0.428 4.626 1.00 0.00 N ATOM 170 C2 DC A 6 3.325 -0.125 4.105 1.00 0.00 C ATOM 171 O2 DC A 6 3.213 -0.410 2.911 1.00 0.00 O ATOM 172 N3 DC A 6 2.280 -0.386 4.928 1.00 0.00 N ATOM 173 C4 DC A 6 2.382 -0.104 6.217 1.00 0.00 C ATOM 174 N4 DC A 6 1.350 -0.411 6.959 1.00 0.00 N ATOM 175 C5 DC A 6 3.585 0.381 6.812 1.00 0.00 C ATOM 176 C6 DC A 6 4.622 0.632 5.973 1.00 0.00 C ATOM 0 H5' DC A 6 10.004 0.242 4.498 1.00 0.00 H new ATOM 0 H5'' DC A 6 8.881 0.236 5.844 1.00 0.00 H new ATOM 0 H4' DC A 6 8.211 -0.056 2.922 1.00 0.00 H new ATOM 0 H3' DC A 6 8.166 2.429 4.667 1.00 0.00 H new ATOM 0 H2' DC A 6 5.895 2.608 4.605 1.00 0.00 H new ATOM 0 H2'' DC A 6 5.980 2.570 2.855 1.00 0.00 H new ATOM 0 H1' DC A 6 5.380 0.383 2.740 1.00 0.00 H new ATOM 0 H41 DC A 6 1.367 -0.219 7.961 1.00 0.00 H new ATOM 0 H42 DC A 6 0.528 -0.843 6.536 1.00 0.00 H new ATOM 0 H5 DC A 6 3.666 0.540 7.877 1.00 0.00 H new ATOM 0 H6 DC A 6 5.556 0.997 6.374 1.00 0.00 H new ATOM 188 P DG A 7 8.602 3.800 2.229 1.00 0.00 P ATOM 189 OP1 DG A 7 9.650 3.937 1.212 1.00 0.00 O ATOM 190 OP2 DG A 7 8.632 4.709 3.402 1.00 0.00 O ATOM 191 O5' DG A 7 7.204 4.159 1.527 1.00 0.00 O ATOM 192 C5' DG A 7 6.807 3.596 0.279 1.00 0.00 C ATOM 193 C4' DG A 7 5.330 3.923 -0.015 1.00 0.00 C ATOM 194 O4' DG A 7 4.531 3.084 0.789 1.00 0.00 O ATOM 195 C3' DG A 7 4.921 5.370 0.305 1.00 0.00 C ATOM 196 O3' DG A 7 4.747 6.244 -0.806 1.00 0.00 O ATOM 197 C2' DG A 7 3.559 5.209 0.953 1.00 0.00 C ATOM 198 C1' DG A 7 3.282 3.709 0.925 1.00 0.00 C ATOM 199 N9 DG A 7 2.684 3.252 2.186 1.00 0.00 N ATOM 200 C8 DG A 7 3.163 3.467 3.446 1.00 0.00 C ATOM 201 N7 DG A 7 2.356 3.066 4.392 1.00 0.00 N ATOM 202 C5 DG A 7 1.258 2.539 3.694 1.00 0.00 C ATOM 203 C6 DG A 7 0.007 1.994 4.127 1.00 0.00 C ATOM 204 O6 DG A 7 -0.407 1.824 5.277 1.00 0.00 O ATOM 205 N1 DG A 7 -0.851 1.666 3.089 1.00 0.00 N ATOM 206 C2 DG A 7 -0.490 1.689 1.769 1.00 0.00 C ATOM 207 N2 DG A 7 -1.371 1.241 0.895 1.00 0.00 N ATOM 208 N3 DG A 7 0.659 2.195 1.337 1.00 0.00 N ATOM 209 C4 DG A 7 1.483 2.619 2.336 1.00 0.00 C ATOM 0 H5' DG A 7 6.949 2.516 0.299 1.00 0.00 H new ATOM 0 H5'' DG A 7 7.438 3.986 -0.520 1.00 0.00 H new ATOM 0 H4' DG A 7 5.191 3.775 -1.086 1.00 0.00 H new ATOM 0 H3' DG A 7 5.715 5.827 0.896 1.00 0.00 H new ATOM 0 H2' DG A 7 3.560 5.591 1.974 1.00 0.00 H new ATOM 0 H2'' DG A 7 2.794 5.762 0.407 1.00 0.00 H new ATOM 0 H1' DG A 7 2.592 3.474 0.115 1.00 0.00 H new ATOM 0 H8 DG A 7 4.121 3.926 3.643 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.805 1.392 3.322 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.146 1.239 -0.100 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.277 0.897 1.214 1.00 0.00 H new ATOM 221 P DT A 8 5.810 6.434 -2.005 1.00 0.00 P ATOM 222 OP1 DT A 8 7.166 6.109 -1.510 1.00 0.00 O ATOM 223 OP2 DT A 8 5.553 7.735 -2.654 1.00 0.00 O ATOM 224 O5' DT A 8 5.307 5.288 -3.026 1.00 0.00 O ATOM 225 C5' DT A 8 6.151 4.292 -3.587 1.00 0.00 C ATOM 226 C4' DT A 8 5.580 3.847 -4.945 1.00 0.00 C ATOM 227 O4' DT A 8 4.315 3.222 -4.791 1.00 0.00 O ATOM 228 C3' DT A 8 5.399 5.046 -5.883 1.00 0.00 C ATOM 229 O3' DT A 8 6.429 5.147 -6.851 1.00 0.00 O ATOM 230 C2' DT A 8 4.072 4.782 -6.575 1.00 0.00 C ATOM 231 C1' DT A 8 3.404 3.653 -5.798 1.00 0.00 C ATOM 232 N1 DT A 8 2.126 4.131 -5.209 1.00 0.00 N ATOM 233 C2 DT A 8 0.981 4.141 -6.009 1.00 0.00 C ATOM 234 O2 DT A 8 0.969 3.793 -7.184 1.00 0.00 O ATOM 235 N3 DT A 8 -0.176 4.626 -5.429 1.00 0.00 N ATOM 236 C4 DT A 8 -0.294 5.094 -4.139 1.00 0.00 C ATOM 237 O4 DT A 8 -1.400 5.457 -3.742 1.00 0.00 O ATOM 238 C5 DT A 8 0.951 5.108 -3.382 1.00 0.00 C ATOM 239 C7 DT A 8 0.989 5.637 -1.965 1.00 0.00 C ATOM 240 C6 DT A 8 2.105 4.643 -3.939 1.00 0.00 C ATOM 0 H5' DT A 8 6.223 3.439 -2.913 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.160 4.684 -3.715 1.00 0.00 H new ATOM 0 H4' DT A 8 6.294 3.141 -5.369 1.00 0.00 H new ATOM 0 H3' DT A 8 5.429 5.982 -5.326 1.00 0.00 H new ATOM 0 H2' DT A 8 3.449 5.676 -6.575 1.00 0.00 H new ATOM 0 H2'' DT A 8 4.226 4.500 -7.617 1.00 0.00 H new ATOM 0 HO3' DT A 8 6.265 5.925 -7.423 1.00 0.00 H new ATOM 0 H1' DT A 8 3.164 2.815 -6.453 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.016 4.638 -6.007 1.00 0.00 H new ATOM 0 H71 DT A 8 0.230 6.410 -1.845 1.00 0.00 H new ATOM 0 H72 DT A 8 0.792 4.823 -1.267 1.00 0.00 H new ATOM 0 H73 DT A 8 1.973 6.060 -1.761 1.00 0.00 H new ATOM 0 H6 DT A 8 3.021 4.679 -3.368 1.00 0.00 H new TER 254 DT A 8 ATOM 255 O5' DT B 9 -8.444 -2.315 -12.466 1.00 0.00 O ATOM 256 C5' DT B 9 -8.084 -1.830 -11.189 1.00 0.00 C ATOM 257 C4' DT B 9 -7.671 -3.006 -10.307 1.00 0.00 C ATOM 258 O4' DT B 9 -6.523 -3.620 -10.879 1.00 0.00 O ATOM 259 C3' DT B 9 -7.248 -2.528 -8.919 1.00 0.00 C ATOM 260 O3' DT B 9 -7.634 -3.467 -7.931 1.00 0.00 O ATOM 261 C2' DT B 9 -5.742 -2.536 -9.027 1.00 0.00 C ATOM 262 C1' DT B 9 -5.537 -3.791 -9.873 1.00 0.00 C ATOM 263 N1 DT B 9 -4.152 -3.980 -10.404 1.00 0.00 N ATOM 264 C2 DT B 9 -3.947 -4.841 -11.499 1.00 0.00 C ATOM 265 O2 DT B 9 -4.819 -5.496 -12.058 1.00 0.00 O ATOM 266 N3 DT B 9 -2.652 -4.981 -11.946 1.00 0.00 N ATOM 267 C4 DT B 9 -1.532 -4.427 -11.369 1.00 0.00 C ATOM 268 O4 DT B 9 -0.441 -4.647 -11.885 1.00 0.00 O ATOM 269 C5 DT B 9 -1.793 -3.636 -10.170 1.00 0.00 C ATOM 270 C7 DT B 9 -0.632 -3.011 -9.415 1.00 0.00 C ATOM 271 C6 DT B 9 -3.069 -3.448 -9.730 1.00 0.00 C ATOM 0 H5' DT B 9 -8.922 -1.298 -10.739 1.00 0.00 H new ATOM 0 H5'' DT B 9 -7.263 -1.118 -11.275 1.00 0.00 H new ATOM 0 H4' DT B 9 -8.520 -3.686 -10.233 1.00 0.00 H new ATOM 0 H3' DT B 9 -7.686 -1.569 -8.643 1.00 0.00 H new ATOM 0 H2' DT B 9 -5.355 -1.640 -9.512 1.00 0.00 H new ATOM 0 H2'' DT B 9 -5.256 -2.607 -8.054 1.00 0.00 H new ATOM 0 HO5' DT B 9 -7.954 -3.143 -12.652 1.00 0.00 H new ATOM 0 H1' DT B 9 -5.646 -4.710 -9.298 1.00 0.00 H new ATOM 0 H3 DT B 9 -2.510 -5.548 -12.782 1.00 0.00 H new ATOM 0 H71 DT B 9 -0.964 -2.091 -8.933 1.00 0.00 H new ATOM 0 H72 DT B 9 -0.273 -3.708 -8.658 1.00 0.00 H new ATOM 0 H73 DT B 9 0.175 -2.784 -10.112 1.00 0.00 H new ATOM 0 H6 DT B 9 -3.238 -2.870 -8.834 1.00 0.00 H new ATOM 285 P DG B 10 -9.067 -3.349 -7.206 1.00 0.00 P ATOM 286 OP1 DG B 10 -9.515 -4.737 -6.859 1.00 0.00 O ATOM 287 OP2 DG 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ATOM 306 C4 DG B 10 -3.384 -1.043 -4.116 1.00 0.00 C ATOM 0 H5' DG B 10 -9.232 -0.646 -6.105 1.00 0.00 H new ATOM 0 H5'' DG B 10 -7.565 -1.019 -6.496 1.00 0.00 H new ATOM 0 H4' DG B 10 -8.701 -1.332 -3.731 1.00 0.00 H new ATOM 0 H3' DG B 10 -8.633 1.231 -4.748 1.00 0.00 H new ATOM 0 H2' DG B 10 -6.285 1.164 -5.357 1.00 0.00 H new ATOM 0 H2'' DG B 10 -6.223 1.838 -3.741 1.00 0.00 H new ATOM 0 H1' DG B 10 -5.519 -0.137 -2.774 1.00 0.00 H new ATOM 0 H8 DG B 10 -5.327 -0.430 -6.592 1.00 0.00 H new ATOM 0 H1 DG B 10 -0.059 -2.358 -3.433 1.00 0.00 H new ATOM 0 H21 DG B 10 -1.954 -1.685 -0.644 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.436 -2.283 -1.321 1.00 0.00 H new ATOM 318 P DC B 11 -8.782 2.309 -2.198 1.00 0.00 P ATOM 319 OP1 DC B 11 -9.831 2.114 -1.152 1.00 0.00 O ATOM 320 OP2 DC B 11 -9.066 3.207 -3.334 1.00 0.00 O ATOM 321 O5' DC B 11 -7.375 2.778 -1.547 1.00 0.00 O ATOM 322 C5' DC B 11 -6.847 2.240 -0.340 1.00 0.00 C ATOM 323 C4' DC B 11 -5.438 2.800 -0.025 1.00 0.00 C ATOM 324 O4' DC B 11 -4.495 2.146 -0.852 1.00 0.00 O ATOM 325 C3' DC B 11 -5.234 4.312 -0.236 1.00 0.00 C ATOM 326 O3' DC B 11 -5.128 5.064 0.961 1.00 0.00 O ATOM 327 C2' DC B 11 -3.864 4.400 -0.898 1.00 0.00 C ATOM 328 C1' DC B 11 -3.354 2.972 -0.947 1.00 0.00 C ATOM 329 N1 DC B 11 -2.671 2.681 -2.230 1.00 0.00 N ATOM 330 C2 DC B 11 -1.299 2.400 -2.309 1.00 0.00 C ATOM 331 O2 DC B 11 -0.553 2.501 -1.346 1.00 0.00 O ATOM 332 N3 DC B 11 -0.745 1.948 -3.461 1.00 0.00 N ATOM 333 C4 DC B 11 -1.532 1.815 -4.508 1.00 0.00 C ATOM 334 N4 DC B 11 -1.012 1.280 -5.572 1.00 0.00 N ATOM 335 C5 DC B 11 -2.912 2.149 -4.498 1.00 0.00 C ATOM 336 C6 DC B 11 -3.446 2.588 -3.345 1.00 0.00 C ATOM 0 H5' DC B 11 -6.797 1.154 -0.418 1.00 0.00 H new ATOM 0 H5'' DC B 11 -7.521 2.469 0.485 1.00 0.00 H new ATOM 0 H4' DC B 11 -5.310 2.618 1.042 1.00 0.00 H new ATOM 0 H3' DC B 11 -6.085 4.710 -0.789 1.00 0.00 H new ATOM 0 H2' DC B 11 -3.937 4.827 -1.898 1.00 0.00 H new ATOM 0 H2'' DC B 11 -3.191 5.039 -0.327 1.00 0.00 H new ATOM 0 H1' DC B 11 -2.637 2.804 -0.143 1.00 0.00 H new ATOM 0 H41 DC B 11 -1.580 1.155 -6.410 1.00 0.00 H new ATOM 0 H42 DC B 11 -0.036 0.985 -5.569 1.00 0.00 H new ATOM 0 H5 DC B 11 -3.514 2.053 -5.389 1.00 0.00 H new ATOM 0 H6 DC B 11 -4.489 2.867 -3.304 1.00 0.00 H new ATOM 348 P DT B 12 -6.410 5.522 1.818 1.00 0.00 P ATOM 349 OP1 DT B 12 -7.602 4.728 1.459 1.00 0.00 O ATOM 350 OP2 DT B 12 -6.516 6.996 1.798 1.00 0.00 O ATOM 351 O5' DT B 12 -5.941 5.144 3.285 1.00 0.00 O ATOM 352 C5' DT B 12 -5.951 3.812 3.761 1.00 0.00 C ATOM 353 C4' DT B 12 -4.930 3.694 4.895 1.00 0.00 C ATOM 354 O4' DT B 12 -3.626 3.586 4.404 1.00 0.00 O ATOM 355 C3' DT B 12 -4.933 4.892 5.827 1.00 0.00 C ATOM 356 O3' DT B 12 -5.899 4.801 6.854 1.00 0.00 O ATOM 357 C2' DT B 12 -3.539 4.833 6.397 1.00 0.00 C ATOM 358 C1' DT B 12 -2.725 3.999 5.419 1.00 0.00 C ATOM 359 N1 DT B 12 -1.603 4.782 4.844 1.00 0.00 N ATOM 360 C2 DT B 12 -0.520 5.124 5.660 1.00 0.00 C ATOM 361 O2 DT B 12 -0.482 4.921 6.869 1.00 0.00 O ATOM 362 N3 DT B 12 0.540 5.752 5.040 1.00 0.00 N ATOM 363 C4 DT B 12 0.625 6.055 3.698 1.00 0.00 C ATOM 364 O4 DT B 12 1.640 6.604 3.283 1.00 0.00 O ATOM 365 C5 DT B 12 -0.550 5.687 2.912 1.00 0.00 C ATOM 366 C7 DT B 12 -0.574 5.938 1.417 1.00 0.00 C ATOM 367 C6 DT B 12 -1.618 5.094 3.511 1.00 0.00 C ATOM 0 H5' DT B 12 -5.704 3.120 2.956 1.00 0.00 H new ATOM 0 H5'' DT B 12 -6.946 3.545 4.118 1.00 0.00 H new ATOM 0 H4' DT B 12 -5.230 2.798 5.438 1.00 0.00 H new ATOM 0 H3' DT B 12 -5.186 5.821 5.316 1.00 0.00 H new ATOM 0 H2' DT B 12 -3.118 5.833 6.503 1.00 0.00 H new ATOM 0 H2'' DT B 12 -3.541 4.381 7.389 1.00 0.00 H new ATOM 0 H1' DT B 12 -2.273 3.143 5.921 1.00 0.00 H new ATOM 0 H3 DT B 12 1.332 6.016 5.627 1.00 0.00 H new ATOM 0 H71 DT B 12 -1.199 5.188 0.932 1.00 0.00 H new ATOM 0 H72 DT B 12 -0.981 6.930 1.221 1.00 0.00 H new ATOM 0 H73 DT B 12 0.440 5.877 1.021 1.00 0.00 H new ATOM 0 H6 DT B 12 -2.495 4.865 2.923 1.00 0.00 H new ATOM 380 P DT B 13 -7.157 5.801 6.935 1.00 0.00 P ATOM 381 OP1 DT B 13 -6.775 7.069 6.266 1.00 0.00 O ATOM 382 OP2 DT B 13 -7.622 5.834 8.332 1.00 0.00 O ATOM 383 O5' DT B 13 -8.297 5.095 6.033 1.00 0.00 O ATOM 384 C5' DT B 13 -8.829 3.819 6.381 1.00 0.00 C ATOM 385 C4' DT B 13 -10.302 3.637 5.967 1.00 0.00 C ATOM 386 O4' DT B 13 -11.087 4.475 6.799 1.00 0.00 O ATOM 387 C3' DT B 13 -10.595 3.983 4.495 1.00 0.00 C ATOM 388 O3' DT B 13 -11.440 3.036 3.841 1.00 0.00 O ATOM 389 C2' DT B 13 -11.300 5.323 4.592 1.00 0.00 C ATOM 390 C1' DT B 13 -11.901 5.306 6.000 1.00 0.00 C ATOM 391 N1 DT B 13 -11.951 6.661 6.598 1.00 0.00 N ATOM 392 C2 DT B 13 -13.174 7.166 7.047 1.00 0.00 C ATOM 393 O2 DT B 13 -14.230 6.545 6.989 1.00 0.00 O ATOM 394 N3 DT B 13 -13.159 8.447 7.556 1.00 0.00 N ATOM 395 C4 DT B 13 -12.055 9.270 7.639 1.00 0.00 C ATOM 396 O4 DT B 13 -12.204 10.397 8.097 1.00 0.00 O ATOM 397 C5 DT B 13 -10.809 8.680 7.148 1.00 0.00 C ATOM 398 C7 DT B 13 -9.514 9.472 7.183 1.00 0.00 C ATOM 399 C6 DT B 13 -10.800 7.410 6.659 1.00 0.00 C ATOM 0 H5' DT B 13 -8.742 3.679 7.458 1.00 0.00 H new ATOM 0 H5'' DT B 13 -8.228 3.042 5.909 1.00 0.00 H new ATOM 0 H4' DT B 13 -10.542 2.580 6.081 1.00 0.00 H new ATOM 0 H3' DT B 13 -9.680 3.988 3.902 1.00 0.00 H new ATOM 0 H2' DT B 13 -10.605 6.153 4.461 1.00 0.00 H new ATOM 0 H2'' DT B 13 -12.070 5.428 3.828 1.00 0.00 H new ATOM 0 H1' DT B 13 -12.925 4.937 5.945 1.00 0.00 H new ATOM 0 H3 DT B 13 -14.043 8.820 7.902 1.00 0.00 H new ATOM 0 H71 DT B 13 -8.673 8.789 7.303 1.00 0.00 H new ATOM 0 H72 DT B 13 -9.401 10.027 6.251 1.00 0.00 H new ATOM 0 H73 DT B 13 -9.537 10.170 8.020 1.00 0.00 H new ATOM 0 H6 DT B 13 -9.871 6.982 6.312 1.00 0.00 H new ATOM 412 P DC B 14 -11.407 2.794 2.231 1.00 0.00 P ATOM 413 OP1 DC B 14 -11.252 4.094 1.517 1.00 0.00 O ATOM 414 OP2 DC B 14 -12.482 1.884 1.790 1.00 0.00 O ATOM 415 O5' DC B 14 -10.059 1.951 2.033 1.00 0.00 O ATOM 416 C5' DC B 14 -9.885 0.691 2.664 1.00 0.00 C ATOM 417 C4' DC B 14 -8.591 0.035 2.166 1.00 0.00 C ATOM 418 O4' DC B 14 -7.470 0.692 2.719 1.00 0.00 O ATOM 419 C3' DC B 14 -8.452 -1.421 2.632 1.00 0.00 C ATOM 420 O3' DC B 14 -9.188 -2.450 1.959 1.00 0.00 O ATOM 421 C2' DC B 14 -6.946 -1.600 2.711 1.00 0.00 C ATOM 422 C1' DC B 14 -6.376 -0.185 2.568 1.00 0.00 C ATOM 423 N1 DC B 14 -5.392 0.112 3.633 1.00 0.00 N ATOM 424 C2 DC B 14 -4.068 0.411 3.307 1.00 0.00 C ATOM 425 O2 DC B 14 -3.700 0.541 2.139 1.00 0.00 O ATOM 426 N3 DC B 14 -3.156 0.582 4.295 1.00 0.00 N ATOM 427 C4 DC B 14 -3.529 0.444 5.555 1.00 0.00 C ATOM 428 N4 DC B 14 -2.605 0.665 6.453 1.00 0.00 N ATOM 429 C5 DC B 14 -4.882 0.203 5.943 1.00 0.00 C ATOM 430 C6 DC B 14 -5.784 0.052 4.943 1.00 0.00 C ATOM 0 H5' DC B 14 -10.737 0.046 2.449 1.00 0.00 H new ATOM 0 H5'' DC B 14 -9.846 0.818 3.746 1.00 0.00 H new ATOM 0 H4' DC B 14 -8.634 0.094 1.078 1.00 0.00 H new ATOM 0 H3' DC B 14 -8.963 -1.569 3.583 1.00 0.00 H new ATOM 0 H2' DC B 14 -6.650 -2.052 3.658 1.00 0.00 H new ATOM 0 H2'' DC B 14 -6.583 -2.255 1.919 1.00 0.00 H new ATOM 0 H1' DC B 14 -5.872 -0.080 1.607 1.00 0.00 H new ATOM 0 H41 DC B 14 -2.826 0.576 7.445 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.663 0.927 6.162 1.00 0.00 H new ATOM 0 H5 DC B 14 -5.172 0.144 6.982 1.00 0.00 H new ATOM 0 H6 DC B 14 -6.823 -0.118 5.182 1.00 0.00 H new ATOM 442 P DG B 15 -9.115 -2.825 0.385 1.00 0.00 P ATOM 443 OP1 DG B 15 -9.488 -1.607 -0.380 1.00 0.00 O ATOM 444 OP2 DG B 15 -9.861 -4.087 0.176 1.00 0.00 O ATOM 445 O5' DG B 15 -7.581 -3.256 0.136 1.00 0.00 O ATOM 446 C5' DG B 15 -6.828 -2.922 -1.027 1.00 0.00 C ATOM 447 C4' DG B 15 -5.397 -3.478 -0.867 1.00 0.00 C ATOM 448 O4' DG B 15 -4.698 -2.674 0.067 1.00 0.00 O ATOM 449 C3' DG B 15 -5.308 -4.907 -0.287 1.00 0.00 C ATOM 450 O3' DG B 15 -5.059 -5.977 -1.184 1.00 0.00 O ATOM 451 C2' DG B 15 -4.055 -4.879 0.574 1.00 0.00 C ATOM 452 C1' DG B 15 -3.604 -3.426 0.548 1.00 0.00 C ATOM 453 N9 DG B 15 -3.193 -2.969 1.888 1.00 0.00 N ATOM 454 C8 DG B 15 -3.883 -3.113 3.063 1.00 0.00 C ATOM 455 N7 DG B 15 -3.223 -2.730 4.122 1.00 0.00 N ATOM 456 C5 DG B 15 -1.986 -2.315 3.605 1.00 0.00 C ATOM 457 C6 DG B 15 -0.791 -1.835 4.253 1.00 0.00 C ATOM 458 O6 DG B 15 -0.581 -1.646 5.444 1.00 0.00 O ATOM 459 N1 DG B 15 0.258 -1.608 3.373 1.00 0.00 N ATOM 460 C2 DG B 15 0.166 -1.739 2.022 1.00 0.00 C ATOM 461 N2 DG B 15 1.247 -1.471 1.317 1.00 0.00 N ATOM 462 N3 DG B 15 -0.930 -2.177 1.396 1.00 0.00 N ATOM 463 C4 DG B 15 -1.967 -2.453 2.242 1.00 0.00 C ATOM 0 H5' DG B 15 -6.800 -1.841 -1.162 1.00 0.00 H new ATOM 0 H5'' DG B 15 -7.299 -3.342 -1.916 1.00 0.00 H new ATOM 0 H4' DG B 15 -4.989 -3.481 -1.878 1.00 0.00 H new ATOM 0 H3' DG B 15 -6.279 -5.102 0.168 1.00 0.00 H new ATOM 0 H2' DG B 15 -4.265 -5.211 1.591 1.00 0.00 H new ATOM 0 H2'' DG B 15 -3.285 -5.540 0.176 1.00 0.00 H new ATOM 0 H1' DG B 15 -2.733 -3.303 -0.095 1.00 0.00 H new ATOM 0 H8 DG B 15 -4.887 -3.509 3.109 1.00 0.00 H new ATOM 0 H1 DG B 15 1.156 -1.325 3.765 1.00 0.00 H new ATOM 0 H21 DG B 15 1.227 -1.555 0.301 1.00 0.00 H new ATOM 0 H22 DG B 15 2.104 -1.180 1.788 1.00 0.00 H new ATOM 475 P DT B 16 -5.980 -6.411 -2.425 1.00 0.00 P ATOM 476 OP1 DT B 16 -7.295 -5.731 -2.304 1.00 0.00 O ATOM 477 OP2 DT B 16 -5.940 -7.880 -2.503 1.00 0.00 O ATOM 478 O5' DT B 16 -5.135 -5.809 -3.653 1.00 0.00 O ATOM 479 C5' DT B 16 -5.610 -4.800 -4.535 1.00 0.00 C ATOM 480 C4' DT B 16 -4.633 -4.681 -5.718 1.00 0.00 C ATOM 481 O4' DT B 16 -3.393 -4.138 -5.296 1.00 0.00 O ATOM 482 C3' DT B 16 -4.319 -6.033 -6.369 1.00 0.00 C ATOM 483 O3' DT B 16 -5.085 -6.248 -7.539 1.00 0.00 O ATOM 484 C2' DT B 16 -2.846 -5.948 -6.738 1.00 0.00 C ATOM 485 C1' DT B 16 -2.306 -4.729 -6.000 1.00 0.00 C ATOM 486 N1 DT B 16 -1.228 -5.146 -5.071 1.00 0.00 N ATOM 487 C2 DT B 16 0.067 -5.314 -5.574 1.00 0.00 C ATOM 488 O2 DT B 16 0.372 -5.124 -6.746 1.00 0.00 O ATOM 489 N3 DT B 16 1.024 -5.753 -4.684 1.00 0.00 N ATOM 490 C4 DT B 16 0.816 -6.033 -3.348 1.00 0.00 C ATOM 491 O4 DT B 16 1.778 -6.379 -2.670 1.00 0.00 O ATOM 492 C5 DT B 16 -0.568 -5.876 -2.903 1.00 0.00 C ATOM 493 C7 DT B 16 -0.970 -6.175 -1.473 1.00 0.00 C ATOM 494 C6 DT B 16 -1.526 -5.452 -3.766 1.00 0.00 C ATOM 0 H5' DT B 16 -5.688 -3.847 -4.012 1.00 0.00 H new ATOM 0 H5'' DT B 16 -6.609 -5.050 -4.893 1.00 0.00 H new ATOM 0 H4' DT B 16 -5.132 -4.034 -6.439 1.00 0.00 H new ATOM 0 H3' DT B 16 -4.552 -6.856 -5.693 1.00 0.00 H new ATOM 0 H2' DT B 16 -2.315 -6.852 -6.441 1.00 0.00 H new ATOM 0 H2'' DT B 16 -2.718 -5.842 -7.815 1.00 0.00 H new ATOM 0 HO3' DT B 16 -4.855 -7.119 -7.925 1.00 0.00 H new ATOM 0 H1' DT B 16 -1.880 -4.004 -6.693 1.00 0.00 H new ATOM 0 H3 DT B 16 1.969 -5.882 -5.044 1.00 0.00 H new ATOM 0 H71 DT B 16 -0.322 -6.952 -1.068 1.00 0.00 H new ATOM 0 H72 DT B 16 -0.873 -5.271 -0.871 1.00 0.00 H new ATOM 0 H73 DT B 16 -2.005 -6.517 -1.450 1.00 0.00 H new ATOM 0 H6 DT B 16 -2.544 -5.353 -3.419 1.00 0.00 H new TER 508 DT B 16