USER MOD reduce.3.24.130724 H: found=0, std=0, add=232, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 232 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 9 DT C7 :methyl 150:sc= -0.263 (180deg=-0.148) USER MOD Set 1.2: B 9 DT C7 :methyl -30:sc= -0.178 (180deg=-0.0156) USER MOD Set 2.1: A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Set 2.2: B 4 DT C7 :methyl -30:sc= 0 (180deg=-0.125) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 5 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 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 5 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 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 P DT A 1 6.191 -5.605 11.135 1.00 0.00 P ATOM 2 OP1 DT A 1 7.187 -4.623 10.641 1.00 0.00 O ATOM 3 OP2 DT A 1 6.016 -5.816 12.588 1.00 0.00 O ATOM 4 O5' DT A 1 4.747 -5.220 10.538 1.00 0.00 O ATOM 5 C5' DT A 1 4.428 -3.898 10.137 1.00 0.00 C ATOM 6 C4' DT A 1 4.426 -3.706 8.615 1.00 0.00 C ATOM 7 O4' DT A 1 3.255 -4.307 8.097 1.00 0.00 O ATOM 8 C3' DT A 1 4.289 -2.243 8.242 1.00 0.00 C ATOM 9 O3' DT A 1 5.572 -1.699 8.003 1.00 0.00 O ATOM 10 C2' DT A 1 3.404 -2.265 6.989 1.00 0.00 C ATOM 11 C1' DT A 1 2.709 -3.619 7.004 1.00 0.00 C ATOM 12 N1 DT A 1 1.259 -3.590 7.316 1.00 0.00 N ATOM 13 C2 DT A 1 0.380 -4.200 6.415 1.00 0.00 C ATOM 14 O2 DT A 1 0.707 -4.584 5.291 1.00 0.00 O ATOM 15 N3 DT A 1 -0.929 -4.339 6.826 1.00 0.00 N ATOM 16 C4 DT A 1 -1.456 -3.887 8.021 1.00 0.00 C ATOM 17 O4 DT A 1 -2.654 -4.050 8.228 1.00 0.00 O ATOM 18 C5 DT A 1 -0.483 -3.257 8.918 1.00 0.00 C ATOM 19 C7 DT A 1 -0.921 -2.735 10.277 1.00 0.00 C ATOM 20 C6 DT A 1 0.815 -3.131 8.546 1.00 0.00 C ATOM 0 H5' DT A 1 5.146 -3.208 10.582 1.00 0.00 H new ATOM 0 H5'' DT A 1 3.446 -3.634 10.530 1.00 0.00 H new ATOM 0 H4' DT A 1 5.355 -4.126 8.230 1.00 0.00 H new ATOM 0 H3' DT A 1 3.847 -1.619 9.019 1.00 0.00 H new ATOM 0 H2' DT A 1 2.679 -1.452 7.007 1.00 0.00 H new ATOM 0 H2'' DT A 1 4.001 -2.140 6.085 1.00 0.00 H new ATOM 0 H1' DT A 1 2.842 -4.044 6.009 1.00 0.00 H new ATOM 0 H3 DT A 1 -1.566 -4.819 6.190 1.00 0.00 H new ATOM 0 H71 DT A 1 -0.089 -2.803 10.978 1.00 0.00 H new ATOM 0 H72 DT A 1 -1.233 -1.695 10.184 1.00 0.00 H new ATOM 0 H73 DT A 1 -1.755 -3.332 10.645 1.00 0.00 H new ATOM 0 H6 DT A 1 1.516 -2.664 9.221 1.00 0.00 H new ATOM 33 P DC A 2 5.770 -0.125 7.771 1.00 0.00 P ATOM 34 OP1 DC A 2 7.216 0.211 7.854 1.00 0.00 O ATOM 35 OP2 DC A 2 4.798 0.617 8.605 1.00 0.00 O ATOM 36 O5' DC A 2 5.295 0.040 6.249 1.00 0.00 O ATOM 37 C5' DC A 2 6.085 -0.400 5.151 1.00 0.00 C ATOM 38 C4' DC A 2 5.824 0.489 3.936 1.00 0.00 C ATOM 39 O4' DC A 2 4.501 0.303 3.477 1.00 0.00 O ATOM 40 C3' DC A 2 5.976 1.977 4.293 1.00 0.00 C ATOM 41 O3' DC A 2 7.245 2.611 4.077 1.00 0.00 O ATOM 42 C2' DC A 2 4.764 2.626 3.637 1.00 0.00 C ATOM 43 C1' DC A 2 4.066 1.495 2.861 1.00 0.00 C ATOM 44 N1 DC A 2 2.587 1.520 2.978 1.00 0.00 N ATOM 45 C2 DC A 2 1.782 1.511 1.828 1.00 0.00 C ATOM 46 O2 DC A 2 2.264 1.514 0.688 1.00 0.00 O ATOM 47 N3 DC A 2 0.435 1.525 1.993 1.00 0.00 N ATOM 48 C4 DC A 2 -0.103 1.521 3.197 1.00 0.00 C ATOM 49 N4 DC A 2 -1.407 1.563 3.286 1.00 0.00 N ATOM 50 C5 DC A 2 0.675 1.518 4.383 1.00 0.00 C ATOM 51 C6 DC A 2 2.020 1.495 4.229 1.00 0.00 C ATOM 0 H5' DC A 2 5.847 -1.437 4.912 1.00 0.00 H new ATOM 0 H5'' DC A 2 7.142 -0.368 5.416 1.00 0.00 H new ATOM 0 H4' DC A 2 6.550 0.212 3.171 1.00 0.00 H new ATOM 0 H3' DC A 2 5.989 2.110 5.375 1.00 0.00 H new ATOM 0 H2' DC A 2 4.098 3.060 4.383 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.064 3.434 2.969 1.00 0.00 H new ATOM 0 H1' DC A 2 4.310 1.592 1.803 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.856 1.561 4.202 1.00 0.00 H new ATOM 0 H42 DC A 2 -1.975 1.597 2.440 1.00 0.00 H new ATOM 0 H5 DC A 2 0.217 1.533 5.361 1.00 0.00 H new ATOM 0 H6 DC A 2 2.656 1.456 5.101 1.00 0.00 H new ATOM 63 P DG A 3 8.070 2.743 2.680 1.00 0.00 P ATOM 64 OP1 DG A 3 8.343 1.397 2.122 1.00 0.00 O ATOM 65 OP2 DG A 3 9.221 3.640 2.941 1.00 0.00 O ATOM 66 O5' DG A 3 7.079 3.555 1.712 1.00 0.00 O ATOM 67 C5' DG A 3 6.473 2.982 0.562 1.00 0.00 C ATOM 68 C4' DG A 3 5.407 3.914 -0.032 1.00 0.00 C ATOM 69 O4' DG A 3 4.220 3.946 0.731 1.00 0.00 O ATOM 70 C3' DG A 3 5.924 5.345 -0.155 1.00 0.00 C ATOM 71 O3' DG A 3 6.373 5.498 -1.481 1.00 0.00 O ATOM 72 C2' DG A 3 4.737 6.226 0.221 1.00 0.00 C ATOM 73 C1' DG A 3 3.676 5.250 0.726 1.00 0.00 C ATOM 74 N9 DG A 3 3.245 5.511 2.113 1.00 0.00 N ATOM 75 C8 DG A 3 4.043 5.783 3.195 1.00 0.00 C ATOM 76 N7 DG A 3 3.437 5.720 4.347 1.00 0.00 N ATOM 77 C5 DG A 3 2.115 5.431 3.988 1.00 0.00 C ATOM 78 C6 DG A 3 0.967 5.191 4.809 1.00 0.00 C ATOM 79 O6 DG A 3 0.909 5.171 6.038 1.00 0.00 O ATOM 80 N1 DG A 3 -0.187 4.923 4.083 1.00 0.00 N ATOM 81 C2 DG A 3 -0.223 4.868 2.716 1.00 0.00 C ATOM 82 N2 DG A 3 -1.397 4.708 2.147 1.00 0.00 N ATOM 83 N3 DG A 3 0.838 5.055 1.922 1.00 0.00 N ATOM 84 C4 DG A 3 1.982 5.329 2.623 1.00 0.00 C ATOM 0 H5' DG A 3 6.018 2.027 0.826 1.00 0.00 H new ATOM 0 H5'' DG A 3 7.236 2.775 -0.188 1.00 0.00 H new ATOM 0 H4' DG A 3 5.184 3.503 -1.017 1.00 0.00 H new ATOM 0 H3' DG A 3 6.762 5.609 0.490 1.00 0.00 H new ATOM 0 H2' DG A 3 5.008 6.949 0.990 1.00 0.00 H new ATOM 0 H2'' DG A 3 4.377 6.793 -0.637 1.00 0.00 H new ATOM 0 H1' DG A 3 2.821 5.366 0.060 1.00 0.00 H new ATOM 0 H8 DG A 3 5.090 6.030 3.100 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.053 4.759 4.596 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.469 4.662 1.131 1.00 0.00 H new ATOM 0 H22 DG A 3 -2.236 4.630 2.722 1.00 0.00 H new ATOM 96 P DT A 4 7.035 6.851 -2.035 1.00 0.00 P ATOM 97 OP1 DT A 4 8.395 6.545 -2.529 1.00 0.00 O ATOM 98 OP2 DT A 4 6.863 7.914 -1.025 1.00 0.00 O ATOM 99 O5' DT A 4 6.046 7.116 -3.272 1.00 0.00 O ATOM 100 C5' DT A 4 5.993 6.212 -4.370 1.00 0.00 C ATOM 101 C4' DT A 4 4.901 6.606 -5.363 1.00 0.00 C ATOM 102 O4' DT A 4 3.601 6.395 -4.837 1.00 0.00 O ATOM 103 C3' DT A 4 5.015 8.086 -5.729 1.00 0.00 C ATOM 104 O3' DT A 4 5.314 8.158 -7.086 1.00 0.00 O ATOM 105 C2' DT A 4 3.687 8.707 -5.327 1.00 0.00 C ATOM 106 C1' DT A 4 2.788 7.475 -5.264 1.00 0.00 C ATOM 107 N1 DT A 4 1.678 7.696 -4.308 1.00 0.00 N ATOM 108 C2 DT A 4 0.394 7.882 -4.829 1.00 0.00 C ATOM 109 O2 DT A 4 0.118 7.798 -6.020 1.00 0.00 O ATOM 110 N3 DT A 4 -0.598 8.178 -3.924 1.00 0.00 N ATOM 111 C4 DT A 4 -0.439 8.308 -2.561 1.00 0.00 C ATOM 112 O4 DT A 4 -1.434 8.556 -1.890 1.00 0.00 O ATOM 113 C5 DT A 4 0.931 8.122 -2.080 1.00 0.00 C ATOM 114 C7 DT A 4 1.257 8.246 -0.602 1.00 0.00 C ATOM 115 C6 DT A 4 1.930 7.828 -2.955 1.00 0.00 C ATOM 0 H5' DT A 4 5.807 5.202 -4.004 1.00 0.00 H new ATOM 0 H5'' DT A 4 6.958 6.195 -4.876 1.00 0.00 H new ATOM 0 H4' DT A 4 5.044 5.976 -6.241 1.00 0.00 H new ATOM 0 H3' DT A 4 5.807 8.635 -5.220 1.00 0.00 H new ATOM 0 H2' DT A 4 3.747 9.221 -4.368 1.00 0.00 H new ATOM 0 H2'' DT A 4 3.336 9.435 -6.058 1.00 0.00 H new ATOM 0 H1' DT A 4 2.344 7.266 -6.237 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.538 8.314 -4.296 1.00 0.00 H new ATOM 0 H71 DT A 4 2.100 7.599 -0.360 1.00 0.00 H new ATOM 0 H72 DT A 4 1.515 9.280 -0.372 1.00 0.00 H new ATOM 0 H73 DT A 4 0.390 7.948 -0.012 1.00 0.00 H new ATOM 0 H6 DT A 4 2.937 7.695 -2.587 1.00 0.00 H new ATOM 128 P DT A 5 6.419 9.151 -7.607 1.00 0.00 P ATOM 129 OP1 DT A 5 5.981 10.530 -7.290 1.00 0.00 O ATOM 130 OP2 DT A 5 6.575 8.710 -9.013 1.00 0.00 O ATOM 131 O5' DT A 5 7.927 8.924 -7.008 1.00 0.00 O ATOM 132 C5' DT A 5 8.575 8.501 -5.779 1.00 0.00 C ATOM 133 C4' DT A 5 9.400 7.472 -6.595 1.00 0.00 C ATOM 134 O4' DT A 5 10.556 8.191 -6.986 1.00 0.00 O ATOM 135 C3' DT A 5 9.832 6.092 -6.077 1.00 0.00 C ATOM 136 O3' DT A 5 9.636 5.189 -7.160 1.00 0.00 O ATOM 137 C2' DT A 5 11.320 6.292 -5.876 1.00 0.00 C ATOM 138 C1' DT A 5 11.606 7.282 -7.003 1.00 0.00 C ATOM 139 N1 DT A 5 12.819 8.077 -6.788 1.00 0.00 N ATOM 140 C2 DT A 5 13.750 8.142 -7.822 1.00 0.00 C ATOM 141 O2 DT A 5 13.620 7.568 -8.901 1.00 0.00 O ATOM 142 N3 DT A 5 14.870 8.903 -7.578 1.00 0.00 N ATOM 143 C4 DT A 5 15.124 9.624 -6.426 1.00 0.00 C ATOM 144 O4 DT A 5 16.167 10.260 -6.358 1.00 0.00 O ATOM 145 C5 DT A 5 14.077 9.549 -5.408 1.00 0.00 C ATOM 146 C7 DT A 5 14.161 10.339 -4.116 1.00 0.00 C ATOM 147 C6 DT A 5 12.972 8.798 -5.623 1.00 0.00 C ATOM 0 H5' DT A 5 7.910 8.070 -5.031 1.00 0.00 H new ATOM 0 H5'' DT A 5 9.162 9.271 -5.278 1.00 0.00 H new ATOM 0 H4' DT A 5 8.683 7.126 -7.340 1.00 0.00 H new ATOM 0 H3' DT A 5 9.314 5.728 -5.190 1.00 0.00 H new ATOM 0 H2' DT A 5 11.557 6.699 -4.893 1.00 0.00 H new ATOM 0 H2'' DT A 5 11.884 5.365 -5.982 1.00 0.00 H new ATOM 0 H1' DT A 5 11.725 6.717 -7.927 1.00 0.00 H new ATOM 0 H3 DT A 5 15.576 8.938 -8.313 1.00 0.00 H new ATOM 0 H71 DT A 5 13.156 10.580 -3.771 1.00 0.00 H new ATOM 0 H72 DT A 5 14.672 9.745 -3.359 1.00 0.00 H new ATOM 0 H73 DT A 5 14.716 11.261 -4.289 1.00 0.00 H new ATOM 0 H6 DT A 5 12.198 8.763 -4.870 1.00 0.00 H new ATOM 160 P DT A 6 9.587 3.599 -6.958 1.00 0.00 P ATOM 161 OP1 DT A 6 10.567 3.205 -5.925 1.00 0.00 O ATOM 162 OP2 DT A 6 9.600 2.973 -8.298 1.00 0.00 O ATOM 163 O5' DT A 6 8.111 3.441 -6.364 1.00 0.00 O ATOM 164 C5' DT A 6 7.458 2.190 -6.376 1.00 0.00 C ATOM 165 C4' DT A 6 6.265 2.255 -5.429 1.00 0.00 C ATOM 166 O4' DT A 6 5.289 3.159 -5.916 1.00 0.00 O ATOM 167 C3' DT A 6 5.560 0.896 -5.281 1.00 0.00 C ATOM 168 O3' DT A 6 5.686 0.379 -3.972 1.00 0.00 O ATOM 169 C2' DT A 6 4.093 1.212 -5.555 1.00 0.00 C ATOM 170 C1' DT A 6 4.047 2.731 -5.407 1.00 0.00 C ATOM 171 N1 DT A 6 2.941 3.342 -6.181 1.00 0.00 N ATOM 172 C2 DT A 6 1.767 3.689 -5.505 1.00 0.00 C ATOM 173 O2 DT A 6 1.582 3.475 -4.303 1.00 0.00 O ATOM 174 N3 DT A 6 0.776 4.276 -6.262 1.00 0.00 N ATOM 175 C4 DT A 6 0.830 4.536 -7.619 1.00 0.00 C ATOM 176 O4 DT A 6 -0.151 5.038 -8.156 1.00 0.00 O ATOM 177 C5 DT A 6 2.083 4.133 -8.264 1.00 0.00 C ATOM 178 C7 DT A 6 2.289 4.327 -9.757 1.00 0.00 C ATOM 179 C6 DT A 6 3.070 3.547 -7.542 1.00 0.00 C ATOM 0 H5' DT A 6 8.144 1.402 -6.066 1.00 0.00 H new ATOM 0 H5'' DT A 6 7.127 1.946 -7.385 1.00 0.00 H new ATOM 0 H4' DT A 6 6.669 2.574 -4.468 1.00 0.00 H new ATOM 0 H3' DT A 6 5.987 0.150 -5.951 1.00 0.00 H new ATOM 0 H2' DT A 6 3.789 0.892 -6.552 1.00 0.00 H new ATOM 0 H2'' DT A 6 3.432 0.715 -4.845 1.00 0.00 H new ATOM 0 H1' DT A 6 3.873 3.025 -4.372 1.00 0.00 H new ATOM 0 H3 DT A 6 -0.079 4.544 -5.775 1.00 0.00 H new ATOM 0 H71 DT A 6 3.348 4.488 -9.960 1.00 0.00 H new ATOM 0 H72 DT A 6 1.948 3.439 -10.290 1.00 0.00 H new ATOM 0 H73 DT A 6 1.720 5.193 -10.093 1.00 0.00 H new ATOM 0 H6 DT A 6 3.975 3.234 -8.041 1.00 0.00 H new ATOM 192 P DC A 7 7.039 -0.365 -3.523 1.00 0.00 P ATOM 193 OP1 DC A 7 8.103 0.649 -3.377 1.00 0.00 O ATOM 194 OP2 DC A 7 7.222 -1.532 -4.420 1.00 0.00 O ATOM 195 O5' DC A 7 6.659 -0.905 -2.061 1.00 0.00 O ATOM 196 C5' DC A 7 6.577 -0.018 -0.960 1.00 0.00 C ATOM 197 C4' DC A 7 6.343 -0.730 0.379 1.00 0.00 C ATOM 198 O4' DC A 7 4.967 -0.830 0.686 1.00 0.00 O ATOM 199 C3' DC A 7 6.928 -2.135 0.482 1.00 0.00 C ATOM 200 O3' DC A 7 7.324 -2.301 1.840 1.00 0.00 O ATOM 201 C2' DC A 7 5.736 -2.984 0.044 1.00 0.00 C ATOM 202 C1' DC A 7 4.547 -2.176 0.583 1.00 0.00 C ATOM 203 N1 DC A 7 3.326 -2.128 -0.260 1.00 0.00 N ATOM 204 C2 DC A 7 2.085 -2.108 0.378 1.00 0.00 C ATOM 205 O2 DC A 7 1.993 -2.281 1.601 1.00 0.00 O ATOM 206 N3 DC A 7 0.971 -1.922 -0.366 1.00 0.00 N ATOM 207 C4 DC A 7 1.048 -1.689 -1.659 1.00 0.00 C ATOM 208 N4 DC A 7 -0.094 -1.528 -2.287 1.00 0.00 N ATOM 209 C5 DC A 7 2.289 -1.687 -2.356 1.00 0.00 C ATOM 210 C6 DC A 7 3.406 -1.901 -1.617 1.00 0.00 C ATOM 0 H5' DC A 7 5.767 0.690 -1.133 1.00 0.00 H new ATOM 0 H5'' DC A 7 7.499 0.561 -0.899 1.00 0.00 H new ATOM 0 H4' DC A 7 6.871 -0.093 1.089 1.00 0.00 H new ATOM 0 H3' DC A 7 7.807 -2.382 -0.113 1.00 0.00 H new ATOM 0 H2' DC A 7 5.693 -3.098 -1.039 1.00 0.00 H new ATOM 0 H2'' DC A 7 5.773 -3.987 0.469 1.00 0.00 H new ATOM 0 H1' DC A 7 4.274 -2.678 1.511 1.00 0.00 H new ATOM 0 H41 DC A 7 -0.103 -1.344 -3.290 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.972 -1.587 -1.771 1.00 0.00 H new ATOM 0 H5 DC A 7 2.339 -1.523 -3.422 1.00 0.00 H new ATOM 0 H6 DC A 7 4.372 -1.893 -2.099 1.00 0.00 H new ATOM 222 P DG A 8 8.198 -3.552 2.341 1.00 0.00 P ATOM 223 OP1 DG A 8 8.618 -3.328 3.746 1.00 0.00 O ATOM 224 OP2 DG A 8 9.220 -3.845 1.306 1.00 0.00 O ATOM 225 O5' DG A 8 7.110 -4.725 2.341 1.00 0.00 O ATOM 226 C5' DG A 8 5.989 -4.687 3.220 1.00 0.00 C ATOM 227 C4' DG A 8 4.905 -5.704 2.837 1.00 0.00 C ATOM 228 O4' DG A 8 4.113 -5.235 1.761 1.00 0.00 O ATOM 229 C3' DG A 8 5.486 -7.061 2.428 1.00 0.00 C ATOM 230 O3' DG A 8 5.627 -7.921 3.545 1.00 0.00 O ATOM 231 C2' DG A 8 4.496 -7.557 1.377 1.00 0.00 C ATOM 232 C1' DG A 8 3.640 -6.338 1.013 1.00 0.00 C ATOM 233 N9 DG A 8 3.743 -5.983 -0.420 1.00 0.00 N ATOM 234 C8 DG A 8 4.852 -6.015 -1.228 1.00 0.00 C ATOM 235 N7 DG A 8 4.645 -5.621 -2.454 1.00 0.00 N ATOM 236 C5 DG A 8 3.282 -5.312 -2.464 1.00 0.00 C ATOM 237 C6 DG A 8 2.440 -4.829 -3.522 1.00 0.00 C ATOM 238 O6 DG A 8 2.731 -4.557 -4.685 1.00 0.00 O ATOM 239 N1 DG A 8 1.126 -4.653 -3.128 1.00 0.00 N ATOM 240 C2 DG A 8 0.671 -4.898 -1.869 1.00 0.00 C ATOM 241 N2 DG A 8 -0.588 -4.622 -1.637 1.00 0.00 N ATOM 242 N3 DG A 8 1.420 -5.344 -0.860 1.00 0.00 N ATOM 243 C4 DG A 8 2.724 -5.533 -1.223 1.00 0.00 C ATOM 0 H5' DG A 8 5.560 -3.685 3.214 1.00 0.00 H new ATOM 0 H5'' DG A 8 6.324 -4.884 4.239 1.00 0.00 H new ATOM 0 H4' DG A 8 4.298 -5.828 3.734 1.00 0.00 H new ATOM 0 H3' DG A 8 6.499 -7.011 2.028 1.00 0.00 H new ATOM 0 H2' DG A 8 5.015 -7.947 0.502 1.00 0.00 H new ATOM 0 H2'' DG A 8 3.880 -8.366 1.769 1.00 0.00 H new ATOM 0 H1' DG A 8 2.600 -6.581 1.231 1.00 0.00 H new ATOM 0 H8 DG A 8 5.820 -6.341 -0.876 1.00 0.00 H new ATOM 0 H1 DG A 8 0.458 -4.320 -3.823 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.984 -4.785 -0.711 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.173 -4.244 -2.382 1.00 0.00 H new ATOM 255 P DT A 9 6.524 -9.267 3.467 1.00 0.00 P ATOM 256 OP1 DT A 9 7.938 -8.831 3.553 1.00 0.00 O ATOM 257 OP2 DT A 9 6.102 -10.045 2.285 1.00 0.00 O ATOM 258 O5' DT A 9 6.160 -10.128 4.804 1.00 0.00 O ATOM 259 C5' DT A 9 4.904 -10.784 4.995 1.00 0.00 C ATOM 260 C4' DT A 9 3.776 -9.748 5.079 1.00 0.00 C ATOM 261 O4' DT A 9 3.302 -9.397 3.801 1.00 0.00 O ATOM 262 C3' DT A 9 2.540 -10.165 5.856 1.00 0.00 C ATOM 263 O3' DT A 9 2.918 -10.187 7.222 1.00 0.00 O ATOM 264 C2' DT A 9 1.540 -9.115 5.371 1.00 0.00 C ATOM 265 C1' DT A 9 1.978 -8.963 3.911 1.00 0.00 C ATOM 266 N1 DT A 9 1.075 -9.702 2.993 1.00 0.00 N ATOM 267 C2 DT A 9 1.315 -11.024 2.545 1.00 0.00 C ATOM 268 O2 DT A 9 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ATOM 0 H1' DT B 4 -4.289 6.727 7.090 1.00 0.00 H new ATOM 0 H3 DT B 4 0.155 7.638 6.628 1.00 0.00 H new ATOM 0 H71 DT B 4 -0.638 9.556 2.395 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.419 8.064 1.819 1.00 0.00 H new ATOM 0 H73 DT B 4 -2.409 9.481 2.243 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.714 8.277 3.816 1.00 0.00 H new ATOM 447 P DT B 5 -8.521 8.529 8.037 1.00 0.00 P ATOM 448 OP1 DT B 5 -8.528 9.906 8.568 1.00 0.00 O ATOM 449 OP2 DT B 5 -9.158 7.466 8.844 1.00 0.00 O ATOM 450 O5' DT B 5 -9.242 8.683 6.551 1.00 0.00 O ATOM 451 C5' DT B 5 -9.879 7.690 5.713 1.00 0.00 C ATOM 452 C4' DT B 5 -11.081 7.105 6.416 1.00 0.00 C ATOM 453 O4' DT B 5 -12.361 7.471 5.938 1.00 0.00 O ATOM 454 C3' DT B 5 -10.982 5.583 6.391 1.00 0.00 C ATOM 455 O3' DT B 5 -10.889 5.256 7.760 1.00 0.00 O ATOM 456 C2' DT B 5 -12.290 5.184 5.733 1.00 0.00 C ATOM 457 C1' DT B 5 -13.168 6.346 6.190 1.00 0.00 C ATOM 458 N1 DT B 5 -14.446 6.454 5.455 1.00 0.00 N ATOM 459 C2 DT B 5 -15.653 6.359 6.161 1.00 0.00 C ATOM 460 O2 DT B 5 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0 H5' DT B 6 -7.492 4.060 8.517 1.00 0.00 H new ATOM 0 H5'' DT B 6 -7.927 5.229 7.286 1.00 0.00 H new ATOM 0 H4' DT B 6 -7.143 3.685 5.519 1.00 0.00 H new ATOM 0 H3' DT B 6 -7.400 1.587 7.301 1.00 0.00 H new ATOM 0 H2' DT B 6 -5.421 2.291 8.671 1.00 0.00 H new ATOM 0 H2'' DT B 6 -4.718 1.128 7.566 1.00 0.00 H new ATOM 0 H1' DT B 6 -4.146 2.874 5.920 1.00 0.00 H new ATOM 0 H3 DT B 6 -0.115 4.107 7.173 1.00 0.00 H new ATOM 0 H71 DT B 6 -3.479 5.323 11.215 1.00 0.00 H new ATOM 0 H72 DT B 6 -2.387 4.013 11.724 1.00 0.00 H new ATOM 0 H73 DT B 6 -1.727 5.618 11.330 1.00 0.00 H new ATOM 0 H6 DT B 6 -4.390 4.106 9.405 1.00 0.00 H new ATOM 511 P DC B 7 -6.592 -0.251 5.530 1.00 0.00 P ATOM 512 OP1 DC B 7 -8.000 -0.499 5.894 1.00 0.00 O ATOM 513 OP2 DC B 7 -5.524 -0.989 6.247 1.00 0.00 O ATOM 514 O5' DC B 7 -6.416 -0.576 3.970 1.00 0.00 O ATOM 515 C5' DC B 7 -7.096 0.164 2.968 1.00 0.00 C ATOM 516 C4' DC B 7 -6.749 -0.348 1.568 1.00 0.00 C ATOM 517 O4' DC B 7 -5.348 -0.343 1.349 1.00 0.00 O ATOM 518 C3' DC B 7 -7.270 -1.758 1.291 1.00 0.00 C ATOM 519 O3' DC B 7 -7.868 -1.690 0.008 1.00 0.00 O ATOM 520 C2' DC B 7 -6.005 -2.607 1.341 1.00 0.00 C ATOM 521 C1' DC B 7 -4.909 -1.621 0.923 1.00 0.00 C ATOM 522 N1 DC B 7 -3.607 -1.859 1.592 1.00 0.00 N ATOM 523 C2 DC B 7 -2.417 -1.864 0.848 1.00 0.00 C ATOM 524 O2 DC B 7 -2.408 -1.804 -0.389 1.00 0.00 O ATOM 525 N3 DC B 7 -1.243 -1.951 1.521 1.00 0.00 N ATOM 526 C4 DC B 7 -1.219 -1.961 2.838 1.00 0.00 C ATOM 527 N4 DC B 7 -0.048 -1.995 3.418 1.00 0.00 N ATOM 528 C5 DC B 7 -2.394 -1.978 3.630 1.00 0.00 C ATOM 529 C6 DC B 7 -3.570 -1.921 2.965 1.00 0.00 C ATOM 0 H5' DC B 7 -6.831 1.218 3.048 1.00 0.00 H new ATOM 0 H5'' DC B 7 -8.172 0.093 3.127 1.00 0.00 H new ATOM 0 H4' DC B 7 -7.245 0.341 0.885 1.00 0.00 H new ATOM 0 H3' DC B 7 -8.012 -2.168 1.976 1.00 0.00 H new ATOM 0 H2' DC B 7 -5.828 -3.008 2.339 1.00 0.00 H new ATOM 0 H2'' DC B 7 -6.063 -3.457 0.662 1.00 0.00 H new ATOM 0 H1' DC B 7 -4.755 -1.724 -0.151 1.00 0.00 H new ATOM 0 H41 DC B 7 0.017 -2.004 4.436 1.00 0.00 H new ATOM 0 H42 DC B 7 0.801 -2.013 2.853 1.00 0.00 H new ATOM 0 H5 DC B 7 -2.352 -2.034 4.708 1.00 0.00 H new ATOM 0 H6 DC B 7 -4.496 -1.924 3.522 1.00 0.00 H new ATOM 541 P DG B 8 -8.645 -2.916 -0.671 1.00 0.00 P ATOM 542 OP1 DG B 8 -9.427 -2.400 -1.816 1.00 0.00 O ATOM 543 OP2 DG B 8 -9.288 -3.718 0.392 1.00 0.00 O ATOM 544 O5' DG B 8 -7.417 -3.755 -1.258 1.00 0.00 O ATOM 545 C5' DG B 8 -6.490 -3.195 -2.176 1.00 0.00 C ATOM 546 C4' DG B 8 -5.273 -4.114 -2.318 1.00 0.00 C ATOM 547 O4' DG B 8 -4.420 -4.070 -1.193 1.00 0.00 O ATOM 548 C3' DG B 8 -5.693 -5.566 -2.548 1.00 0.00 C ATOM 549 O3' DG B 8 -5.714 -5.750 -3.953 1.00 0.00 O ATOM 550 C2' DG B 8 -4.676 -6.379 -1.744 1.00 0.00 C ATOM 551 C1' DG B 8 -3.848 -5.343 -0.976 1.00 0.00 C ATOM 552 N9 DG B 8 -3.881 -5.546 0.487 1.00 0.00 N ATOM 553 C8 DG B 8 -4.983 -5.766 1.276 1.00 0.00 C ATOM 554 N7 DG B 8 -4.742 -5.739 2.557 1.00 0.00 N ATOM 555 C5 DG B 8 -3.364 -5.522 2.627 1.00 0.00 C ATOM 556 C6 DG B 8 -2.481 -5.422 3.760 1.00 0.00 C ATOM 557 O6 DG B 8 -2.736 -5.446 4.963 1.00 0.00 O ATOM 558 N1 DG B 8 -1.153 -5.285 3.395 1.00 0.00 N ATOM 559 C2 DG B 8 -0.715 -5.195 2.112 1.00 0.00 C ATOM 560 N2 DG B 8 0.581 -5.071 1.951 1.00 0.00 N ATOM 561 N3 DG B 8 -1.501 -5.293 1.037 1.00 0.00 N ATOM 562 C4 DG B 8 -2.824 -5.438 1.361 1.00 0.00 C ATOM 0 H5' DG B 8 -6.174 -2.210 -1.831 1.00 0.00 H new ATOM 0 H5'' DG B 8 -6.966 -3.056 -3.147 1.00 0.00 H new ATOM 0 H4' DG B 8 -4.727 -3.740 -3.184 1.00 0.00 H new ATOM 0 H3' DG B 8 -6.682 -5.875 -2.210 1.00 0.00 H new ATOM 0 H2' DG B 8 -5.174 -7.068 -1.062 1.00 0.00 H new ATOM 0 H2'' DG B 8 -4.045 -6.979 -2.400 1.00 0.00 H new ATOM 0 H1' DG B 8 -2.822 -5.436 -1.332 1.00 0.00 H new ATOM 0 H8 DG B 8 -5.967 -5.946 0.869 1.00 0.00 H new ATOM 0 H1 DG B 8 -0.456 -5.249 4.139 1.00 0.00 H new ATOM 0 H21 DG B 8 0.974 -4.999 1.012 1.00 0.00 H new ATOM 0 H22 DG B 8 1.196 -5.047 2.764 1.00 0.00 H new ATOM 574 P DT B 9 -5.939 -7.169 -4.675 1.00 0.00 P ATOM 575 OP1 DT B 9 -6.880 -7.005 -5.817 1.00 0.00 O ATOM 576 OP2 DT B 9 -6.176 -8.220 -3.666 1.00 0.00 O ATOM 577 O5' DT B 9 -4.453 -7.347 -5.252 1.00 0.00 O ATOM 578 C5' DT B 9 -3.947 -6.430 -6.214 1.00 0.00 C ATOM 579 C4' DT B 9 -2.565 -6.822 -6.737 1.00 0.00 C ATOM 580 O4' DT B 9 -1.555 -6.602 -5.771 1.00 0.00 O ATOM 581 C3' DT B 9 -2.500 -8.307 -7.142 1.00 0.00 C ATOM 582 O3' DT B 9 -2.595 -8.593 -8.537 1.00 0.00 O ATOM 583 C2' DT B 9 -1.217 -8.799 -6.476 1.00 0.00 C ATOM 584 C1' DT B 9 -0.508 -7.503 -6.072 1.00 0.00 C ATOM 585 N1 DT B 9 0.336 -7.718 -4.874 1.00 0.00 N ATOM 586 C2 DT B 9 1.717 -7.850 -5.034 1.00 0.00 C ATOM 587 O2 DT B 9 2.312 -7.646 -6.087 1.00 0.00 O ATOM 588 N3 DT B 9 2.433 -8.244 -3.926 1.00 0.00 N ATOM 589 C4 DT B 9 1.912 -8.490 -2.670 1.00 0.00 C ATOM 590 O4 DT B 9 2.679 -8.818 -1.775 1.00 0.00 O ATOM 591 C5 DT B 9 0.467 -8.298 -2.566 1.00 0.00 C ATOM 592 C7 DT B 9 -0.247 -8.475 -1.241 1.00 0.00 C ATOM 593 C6 DT B 9 -0.260 -7.923 -3.645 1.00 0.00 C ATOM 0 H5' DT B 9 -3.894 -5.436 -5.769 1.00 0.00 H new ATOM 0 H5'' DT B 9 -4.643 -6.368 -7.051 1.00 0.00 H new ATOM 0 H4' DT B 9 -2.396 -6.190 -7.609 1.00 0.00 H new ATOM 0 H3' DT B 9 -3.387 -8.842 -6.804 1.00 0.00 H new ATOM 0 H2' DT B 9 -1.429 -9.428 -5.611 1.00 0.00 H new ATOM 0 H2'' DT B 9 -0.611 -9.392 -7.161 1.00 0.00 H new ATOM 0 H1' DT B 9 0.150 -7.135 -6.859 1.00 0.00 H new ATOM 0 H3 DT B 9 3.439 -8.365 -4.043 1.00 0.00 H new ATOM 0 H71 DT B 9 0.282 -9.213 -0.638 1.00 0.00 H new ATOM 0 H72 DT B 9 -0.271 -7.523 -0.711 1.00 0.00 H new ATOM 0 H73 DT B 9 -1.267 -8.817 -1.420 1.00 0.00 H new ATOM 0 H6 DT B 9 -1.326 -7.782 -3.543 1.00 0.00 H new ATOM 606 P DT B 10 -1.717 -7.869 -9.694 1.00 0.00 P ATOM 607 OP1 DT B 10 -1.872 -8.679 -10.920 1.00 0.00 O ATOM 608 OP2 DT B 10 -0.376 -7.575 -9.154 1.00 0.00 O ATOM 609 O5' DT B 10 -2.491 -6.470 -9.912 1.00 0.00 O ATOM 610 C5' DT B 10 -3.690 -6.405 -10.660 1.00 0.00 C ATOM 611 C4' DT B 10 -4.203 -4.965 -10.784 1.00 0.00 C ATOM 612 O4' DT B 10 -3.275 -4.220 -11.562 1.00 0.00 O ATOM 613 C3' DT B 10 -5.552 -4.933 -11.536 1.00 0.00 C ATOM 614 O3' DT B 10 -6.400 -3.851 -11.177 1.00 0.00 O ATOM 615 C2' DT B 10 -5.113 -4.694 -12.970 1.00 0.00 C ATOM 616 C1' DT B 10 -3.917 -3.768 -12.738 1.00 0.00 C ATOM 617 N1 DT B 10 -2.952 -3.728 -13.871 1.00 0.00 N ATOM 618 C2 DT B 10 -2.498 -2.471 -14.285 1.00 0.00 C ATOM 619 O2 DT B 10 -2.797 -1.416 -13.735 1.00 0.00 O ATOM 620 N3 DT B 10 -1.682 -2.447 -15.395 1.00 0.00 N ATOM 621 C4 DT B 10 -1.291 -3.539 -16.139 1.00 0.00 C ATOM 622 O4 DT B 10 -0.598 -3.344 -17.130 1.00 0.00 O ATOM 623 C5 DT B 10 -1.761 -4.827 -15.632 1.00 0.00 C ATOM 624 C7 DT B 10 -1.378 -6.119 -16.340 1.00 0.00 C ATOM 625 C6 DT B 10 -2.550 -4.880 -14.526 1.00 0.00 C ATOM 0 H5' DT B 10 -4.451 -7.023 -10.183 1.00 0.00 H new ATOM 0 H5'' DT B 10 -3.522 -6.818 -11.654 1.00 0.00 H new ATOM 0 H4' DT B 10 -4.323 -4.551 -9.783 1.00 0.00 H new ATOM 0 H3' DT B 10 -6.122 -5.839 -11.329 1.00 0.00 H new ATOM 0 H2' DT B 10 -4.832 -5.617 -13.478 1.00 0.00 H new ATOM 0 H2'' DT B 10 -5.892 -4.224 -13.570 1.00 0.00 H new ATOM 0 H1' DT B 10 -4.282 -2.745 -12.646 1.00 0.00 H new ATOM 0 H3 DT B 10 -1.335 -1.536 -15.694 1.00 0.00 H new ATOM 0 H71 DT B 10 -1.330 -6.931 -15.614 1.00 0.00 H new ATOM 0 H72 DT B 10 -2.125 -6.354 -17.098 1.00 0.00 H new ATOM 0 H73 DT B 10 -0.404 -5.999 -16.815 1.00 0.00 H new ATOM 0 H6 DT B 10 -2.870 -5.841 -14.150 1.00 0.00 H new TER 638 DT B 10