USER MOD reduce.3.24.130724 H: found=0, std=0, add=178, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 178 hydrogens (38 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 59:sc= 0.0514! USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.383 (180deg=-1.91) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.105 (180deg=-0.105) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 11 DA O5' : rot 61:sc= 0.164! USER MOD Single : B 12 DT C7 :methyl -30:sc= -0.4 (180deg=-1.87) USER MOD Single : B 16 DT C7 :methyl 150:sc= -0.102 (180deg=-0.102) USER MOD Single : B 16 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 4.042 -11.744 -5.963 1.00 0.70 O ATOM 2 C5' DA A 1 4.557 -11.881 -7.291 1.00 0.72 C ATOM 3 C4' DA A 1 4.203 -10.675 -8.155 1.00 0.65 C ATOM 4 O4' DA A 1 2.770 -10.541 -8.280 1.00 0.59 O ATOM 5 C3' DA A 1 4.749 -9.393 -7.540 1.00 0.60 C ATOM 6 O3' DA A 1 5.665 -8.746 -8.432 1.00 0.67 O ATOM 7 C2' DA A 1 3.550 -8.525 -7.270 1.00 0.51 C ATOM 8 C1' DA A 1 2.322 -9.335 -7.630 1.00 0.49 C ATOM 9 N9 DA A 1 1.530 -9.657 -6.430 1.00 0.46 N ATOM 10 C8 DA A 1 1.932 -10.164 -5.243 1.00 0.48 C ATOM 11 N7 DA A 1 1.026 -10.397 -4.354 1.00 0.45 N ATOM 12 C5 DA A 1 -0.132 -9.995 -5.026 1.00 0.40 C ATOM 13 C6 DA A 1 -1.480 -9.972 -4.659 1.00 0.38 C ATOM 14 N6 DA A 1 -1.920 -10.392 -3.473 1.00 0.38 N ATOM 15 N1 DA A 1 -2.359 -9.511 -5.565 1.00 0.40 N ATOM 16 C2 DA A 1 -1.941 -9.096 -6.763 1.00 0.43 C ATOM 17 N3 DA A 1 -0.693 -9.075 -7.213 1.00 0.44 N ATOM 18 C4 DA A 1 0.168 -9.541 -6.289 1.00 0.42 C ATOM 0 H5' DA A 1 4.156 -12.786 -7.746 1.00 0.72 H new ATOM 0 H5'' DA A 1 5.640 -11.997 -7.252 1.00 0.72 H new ATOM 0 H4' DA A 1 4.649 -10.835 -9.137 1.00 0.65 H new ATOM 0 H3' DA A 1 5.306 -9.595 -6.625 1.00 0.60 H new ATOM 0 H2' DA A 1 3.520 -8.225 -6.222 1.00 0.51 H new ATOM 0 H2'' DA A 1 3.595 -7.611 -7.862 1.00 0.51 H new ATOM 0 HO5' DA A 1 3.068 -11.646 -5.999 1.00 0.70 H new ATOM 0 H1' DA A 1 1.677 -8.760 -8.294 1.00 0.49 H new ATOM 0 H8 DA A 1 2.974 -10.367 -5.046 1.00 0.48 H new ATOM 0 H61 DA A 1 -2.916 -10.353 -3.256 1.00 0.38 H new ATOM 0 H62 DA A 1 -1.261 -10.752 -2.783 1.00 0.38 H new ATOM 0 H2 DA A 1 -2.702 -8.738 -7.440 1.00 0.43 H new ATOM 31 P DT A 2 6.324 -7.329 -8.049 1.00 0.68 P ATOM 32 OP1 DT A 2 7.439 -7.068 -8.986 1.00 0.81 O ATOM 33 OP2 DT A 2 6.566 -7.303 -6.588 1.00 0.75 O ATOM 34 O5' DT A 2 5.134 -6.306 -8.385 1.00 0.52 O ATOM 35 C5' DT A 2 4.650 -6.176 -9.725 1.00 0.44 C ATOM 36 C4' DT A 2 3.401 -5.311 -9.774 1.00 0.29 C ATOM 37 O4' DT A 2 2.301 -5.956 -9.091 1.00 0.29 O ATOM 38 C3' DT A 2 3.662 -3.978 -9.092 1.00 0.23 C ATOM 39 O3' DT A 2 3.585 -2.895 -10.020 1.00 0.23 O ATOM 40 C2' DT A 2 2.612 -3.852 -8.027 1.00 0.22 C ATOM 41 C1' DT A 2 1.661 -5.015 -8.205 1.00 0.23 C ATOM 42 N1 DT A 2 1.339 -5.627 -6.902 1.00 0.26 N ATOM 43 C2 DT A 2 0.003 -5.769 -6.574 1.00 0.25 C ATOM 44 O2 DT A 2 -0.903 -5.436 -7.337 1.00 0.26 O ATOM 45 N3 DT A 2 -0.258 -6.307 -5.331 1.00 0.29 N ATOM 46 C4 DT A 2 0.682 -6.708 -4.402 1.00 0.35 C ATOM 47 O4 DT A 2 0.330 -7.179 -3.325 1.00 0.41 O ATOM 48 C5 DT A 2 2.049 -6.525 -4.829 1.00 0.38 C ATOM 49 C7 DT A 2 3.189 -6.917 -3.891 1.00 0.47 C ATOM 50 C6 DT A 2 2.330 -6.003 -6.040 1.00 0.33 C ATOM 0 H5' DT A 2 4.429 -7.163 -10.133 1.00 0.44 H new ATOM 0 H5'' DT A 2 5.425 -5.737 -10.354 1.00 0.44 H new ATOM 0 H4' DT A 2 3.145 -5.159 -10.823 1.00 0.29 H new ATOM 0 H3' DT A 2 4.666 -3.940 -8.670 1.00 0.23 H new ATOM 0 H2' DT A 2 3.064 -3.872 -7.035 1.00 0.22 H new ATOM 0 H2'' DT A 2 2.083 -2.903 -8.117 1.00 0.22 H new ATOM 0 H1' DT A 2 0.715 -4.684 -8.633 1.00 0.23 H new ATOM 0 H3 DT A 2 -1.239 -6.419 -5.073 1.00 0.29 H new ATOM 0 H71 DT A 2 2.867 -6.796 -2.857 1.00 0.47 H new ATOM 0 H72 DT A 2 3.463 -7.957 -4.066 1.00 0.47 H new ATOM 0 H73 DT A 2 4.052 -6.278 -4.080 1.00 0.47 H new ATOM 0 H6 DT A 2 3.361 -5.879 -6.335 1.00 0.33 H new ATOM 63 P DG A 3 3.842 -1.388 -9.524 1.00 0.27 P ATOM 64 OP1 DG A 3 4.201 -0.569 -10.702 1.00 0.38 O ATOM 65 OP2 DG A 3 4.743 -1.429 -8.348 1.00 0.34 O ATOM 66 O5' DG A 3 2.383 -0.943 -9.018 1.00 0.25 O ATOM 67 C5' DG A 3 1.299 -0.805 -9.948 1.00 0.28 C ATOM 68 C4' DG A 3 0.267 0.207 -9.482 1.00 0.25 C ATOM 69 O4' DG A 3 -0.327 -0.207 -8.230 1.00 0.24 O ATOM 70 C3' DG A 3 0.908 1.572 -9.270 1.00 0.24 C ATOM 71 O3' DG A 3 0.466 2.503 -10.267 1.00 0.28 O ATOM 72 C2' DG A 3 0.497 2.004 -7.885 1.00 0.23 C ATOM 73 C1' DG A 3 -0.403 0.916 -7.330 1.00 0.22 C ATOM 74 N9 DG A 3 -0.002 0.536 -5.962 1.00 0.21 N ATOM 75 C8 DG A 3 1.228 0.488 -5.404 1.00 0.21 C ATOM 76 N7 DG A 3 1.315 0.131 -4.161 1.00 0.21 N ATOM 77 C5 DG A 3 -0.034 -0.086 -3.843 1.00 0.19 C ATOM 78 C6 DG A 3 -0.631 -0.497 -2.621 1.00 0.20 C ATOM 79 O6 DG A 3 -0.081 -0.748 -1.546 1.00 0.21 O ATOM 80 N1 DG A 3 -2.012 -0.594 -2.736 1.00 0.20 N ATOM 81 C2 DG A 3 -2.738 -0.327 -3.883 1.00 0.21 C ATOM 82 N2 DG A 3 -4.064 -0.454 -3.794 1.00 0.23 N ATOM 83 N3 DG A 3 -2.184 0.059 -5.032 1.00 0.21 N ATOM 84 C4 DG A 3 -0.840 0.159 -4.945 1.00 0.20 C ATOM 0 H5' DG A 3 0.818 -1.773 -10.089 1.00 0.28 H new ATOM 0 H5'' DG A 3 1.692 -0.500 -10.918 1.00 0.28 H new ATOM 0 H4' DG A 3 -0.498 0.269 -10.256 1.00 0.25 H new ATOM 0 H3' DG A 3 1.993 1.529 -9.361 1.00 0.24 H new ATOM 0 H2' DG A 3 1.371 2.143 -7.249 1.00 0.23 H new ATOM 0 H2'' DG A 3 -0.028 2.959 -7.919 1.00 0.23 H new ATOM 0 H1' DG A 3 -1.430 1.274 -7.259 1.00 0.22 H new ATOM 0 H8 DG A 3 2.110 0.739 -5.975 1.00 0.21 H new ATOM 0 H1 DG A 3 -2.532 -0.885 -1.909 1.00 0.20 H new ATOM 0 H21 DG A 3 -4.650 -0.270 -4.608 1.00 0.23 H new ATOM 0 H22 DG A 3 -4.491 -0.735 -2.912 1.00 0.23 H new ATOM 96 P DC A 4 0.660 4.089 -10.065 1.00 0.31 P ATOM 97 OP1 DC A 4 0.462 4.753 -11.370 1.00 0.38 O ATOM 98 OP2 DC A 4 1.908 4.316 -9.302 1.00 0.33 O ATOM 99 O5' DC A 4 -0.587 4.457 -9.117 1.00 0.27 O ATOM 100 C5' DC A 4 -1.925 4.229 -9.571 1.00 0.26 C ATOM 101 C4' DC A 4 -2.948 4.802 -8.600 1.00 0.22 C ATOM 102 O4' DC A 4 -2.909 4.102 -7.338 1.00 0.23 O ATOM 103 C3' DC A 4 -2.667 6.272 -8.339 1.00 0.22 C ATOM 104 O3' DC A 4 -3.684 7.094 -8.918 1.00 0.26 O ATOM 105 C2' DC A 4 -2.621 6.421 -6.842 1.00 0.22 C ATOM 106 C1' DC A 4 -2.810 5.039 -6.247 1.00 0.22 C ATOM 107 N1 DC A 4 -1.683 4.689 -5.358 1.00 0.20 N ATOM 108 C2 DC A 4 -1.981 4.302 -4.061 1.00 0.20 C ATOM 109 O2 DC A 4 -3.146 4.256 -3.673 1.00 0.24 O ATOM 110 N3 DC A 4 -0.955 3.969 -3.238 1.00 0.19 N ATOM 111 C4 DC A 4 0.312 4.010 -3.663 1.00 0.20 C ATOM 112 N4 DC A 4 1.287 3.660 -2.825 1.00 0.21 N ATOM 113 C5 DC A 4 0.628 4.408 -4.998 1.00 0.21 C ATOM 114 C6 DC A 4 -0.394 4.738 -5.808 1.00 0.21 C ATOM 0 H5' DC A 4 -2.093 3.158 -9.689 1.00 0.26 H new ATOM 0 H5'' DC A 4 -2.060 4.683 -10.553 1.00 0.26 H new ATOM 0 H4' DC A 4 -3.932 4.684 -9.054 1.00 0.22 H new ATOM 0 H3' DC A 4 -1.728 6.591 -8.792 1.00 0.22 H new ATOM 0 H2' DC A 4 -1.669 6.848 -6.527 1.00 0.22 H new ATOM 0 H2'' DC A 4 -3.403 7.098 -6.499 1.00 0.22 H new ATOM 0 H1' DC A 4 -3.716 5.012 -5.641 1.00 0.22 H new ATOM 0 H41 DC A 4 2.259 3.686 -3.134 1.00 0.21 H new ATOM 0 H42 DC A 4 1.062 3.366 -1.875 1.00 0.21 H new ATOM 0 H5 DC A 4 1.650 4.443 -5.344 1.00 0.21 H new ATOM 0 H6 DC A 4 -0.194 5.045 -6.824 1.00 0.21 H new ATOM 126 P DA A 5 -3.679 8.688 -8.698 1.00 0.27 P ATOM 127 OP1 DA A 5 -4.476 9.307 -9.780 1.00 0.35 O ATOM 128 OP2 DA A 5 -2.284 9.125 -8.467 1.00 0.30 O ATOM 129 O5' DA A 5 -4.496 8.842 -7.319 1.00 0.27 O ATOM 130 C5' DA A 5 -5.821 8.314 -7.211 1.00 0.26 C ATOM 131 C4' DA A 5 -6.601 8.945 -6.065 1.00 0.23 C ATOM 132 O4' DA A 5 -5.980 8.664 -4.794 1.00 0.22 O ATOM 133 C3' DA A 5 -6.679 10.452 -6.231 1.00 0.23 C ATOM 134 O3' DA A 5 -7.988 10.856 -6.652 1.00 0.28 O ATOM 135 C2' DA A 5 -6.338 11.022 -4.883 1.00 0.19 C ATOM 136 C1' DA A 5 -5.924 9.863 -3.997 1.00 0.18 C ATOM 137 N9 DA A 5 -4.569 10.070 -3.466 1.00 0.17 N ATOM 138 C8 DA A 5 -3.489 10.611 -4.068 1.00 0.19 C ATOM 139 N7 DA A 5 -2.395 10.686 -3.382 1.00 0.21 N ATOM 140 C5 DA A 5 -2.793 10.121 -2.163 1.00 0.19 C ATOM 141 C6 DA A 5 -2.117 9.881 -0.961 1.00 0.23 C ATOM 142 N6 DA A 5 -0.831 10.176 -0.778 1.00 0.27 N ATOM 143 N1 DA A 5 -2.814 9.310 0.038 1.00 0.25 N ATOM 144 C2 DA A 5 -4.099 8.989 -0.132 1.00 0.24 C ATOM 145 N3 DA A 5 -4.833 9.170 -1.225 1.00 0.20 N ATOM 146 C4 DA A 5 -4.115 9.744 -2.209 1.00 0.17 C ATOM 0 H5' DA A 5 -5.769 7.235 -7.062 1.00 0.26 H new ATOM 0 H5'' DA A 5 -6.354 8.482 -8.147 1.00 0.26 H new ATOM 0 H4' DA A 5 -7.602 8.514 -6.087 1.00 0.23 H new ATOM 0 H3' DA A 5 -5.994 10.810 -7.000 1.00 0.23 H new ATOM 0 H2' DA A 5 -5.531 11.750 -4.966 1.00 0.19 H new ATOM 0 H2'' DA A 5 -7.195 11.544 -4.458 1.00 0.19 H new ATOM 0 H1' DA A 5 -6.596 9.783 -3.142 1.00 0.18 H new ATOM 0 H8 DA A 5 -3.537 10.968 -5.086 1.00 0.19 H new ATOM 0 H61 DA A 5 -0.385 9.981 0.119 1.00 0.27 H new ATOM 0 H62 DA A 5 -0.292 10.597 -1.534 1.00 0.27 H new ATOM 0 H2 DA A 5 -4.596 8.532 0.711 1.00 0.24 H new ATOM 158 P DT A 6 -8.438 12.403 -6.579 1.00 0.33 P ATOM 159 OP1 DT A 6 -9.737 12.540 -7.274 1.00 0.42 O ATOM 160 OP2 DT A 6 -7.291 13.244 -6.988 1.00 0.36 O ATOM 161 O5' DT A 6 -8.686 12.616 -5.002 1.00 0.30 O ATOM 162 C5' DT A 6 -9.710 11.879 -4.324 1.00 0.33 C ATOM 163 C4' DT A 6 -9.708 12.156 -2.825 1.00 0.36 C ATOM 164 O4' DT A 6 -8.464 11.735 -2.228 1.00 0.35 O ATOM 165 C3' DT A 6 -9.888 13.643 -2.542 1.00 0.43 C ATOM 166 O3' DT A 6 -11.134 13.891 -1.882 1.00 0.57 O ATOM 167 C2' DT A 6 -8.728 14.036 -1.669 1.00 0.43 C ATOM 168 C1' DT A 6 -7.973 12.761 -1.345 1.00 0.38 C ATOM 169 N1 DT A 6 -6.515 12.943 -1.502 1.00 0.31 N ATOM 170 C2 DT A 6 -5.710 12.605 -0.429 1.00 0.38 C ATOM 171 O2 DT A 6 -6.166 12.165 0.625 1.00 0.49 O ATOM 172 N3 DT A 6 -4.356 12.787 -0.608 1.00 0.34 N ATOM 173 C4 DT A 6 -3.740 13.269 -1.746 1.00 0.28 C ATOM 174 O4 DT A 6 -2.518 13.384 -1.789 1.00 0.32 O ATOM 175 C5 DT A 6 -4.654 13.596 -2.816 1.00 0.23 C ATOM 176 C7 DT A 6 -4.109 14.144 -4.132 1.00 0.29 C ATOM 177 C6 DT A 6 -5.984 13.427 -2.666 1.00 0.24 C ATOM 0 H5' DT A 6 -9.565 10.813 -4.497 1.00 0.33 H new ATOM 0 H5'' DT A 6 -10.683 12.140 -4.741 1.00 0.33 H new ATOM 0 H4' DT A 6 -10.538 11.595 -2.396 1.00 0.36 H new ATOM 0 H3' DT A 6 -9.908 14.225 -3.463 1.00 0.43 H new ATOM 0 H2' DT A 6 -8.082 14.748 -2.182 1.00 0.43 H new ATOM 0 H2'' DT A 6 -9.077 14.521 -0.757 1.00 0.43 H new ATOM 0 HO3' DT A 6 -11.227 14.851 -1.709 1.00 0.57 H new ATOM 0 H1' DT A 6 -8.138 12.481 -0.305 1.00 0.38 H new ATOM 0 H3 DT A 6 -3.750 12.542 0.175 1.00 0.34 H new ATOM 0 H71 DT A 6 -4.765 13.846 -4.950 1.00 0.29 H new ATOM 0 H72 DT A 6 -4.063 15.232 -4.082 1.00 0.29 H new ATOM 0 H73 DT A 6 -3.109 13.746 -4.306 1.00 0.29 H new ATOM 0 H6 DT A 6 -6.644 13.679 -3.483 1.00 0.24 H new TER 191 DT A 6 ATOM 192 O5' DA B 11 1.962 13.047 6.431 1.00 0.70 O ATOM 193 C5' DA B 11 1.457 13.181 7.762 1.00 0.73 C ATOM 194 C4' DA B 11 0.386 12.137 8.062 1.00 0.65 C ATOM 195 O4' DA B 11 -0.743 12.298 7.174 1.00 0.59 O ATOM 196 C3' DA B 11 0.939 10.731 7.879 1.00 0.61 C ATOM 197 O3' DA B 11 0.862 9.986 9.100 1.00 0.67 O ATOM 198 C2' DA B 11 0.101 10.096 6.802 1.00 0.51 C ATOM 199 C1' DA B 11 -0.859 11.156 6.301 1.00 0.49 C ATOM 200 N9 DA B 11 -0.545 11.535 4.911 1.00 0.46 N ATOM 201 C8 DA B 11 0.645 11.864 4.351 1.00 0.48 C ATOM 202 N7 DA B 11 0.646 12.201 3.106 1.00 0.45 N ATOM 203 C5 DA B 11 -0.710 12.085 2.784 1.00 0.40 C ATOM 204 C6 DA B 11 -1.424 12.300 1.603 1.00 0.37 C ATOM 205 N6 DA B 11 -0.852 12.706 0.470 1.00 0.38 N ATOM 206 N1 DA B 11 -2.751 12.090 1.636 1.00 0.40 N ATOM 207 C2 DA B 11 -3.345 11.693 2.764 1.00 0.43 C ATOM 208 N3 DA B 11 -2.767 11.462 3.936 1.00 0.43 N ATOM 209 C4 DA B 11 -1.439 11.678 3.877 1.00 0.41 C ATOM 0 H5' DA B 11 1.041 14.179 7.895 1.00 0.73 H new ATOM 0 H5'' DA B 11 2.275 13.079 8.475 1.00 0.73 H new ATOM 0 H4' DA B 11 0.070 12.279 9.096 1.00 0.65 H new ATOM 0 H3' DA B 11 1.993 10.751 7.601 1.00 0.61 H new ATOM 0 H2' DA B 11 0.730 9.731 5.990 1.00 0.51 H new ATOM 0 H2'' DA B 11 -0.444 9.237 7.194 1.00 0.51 H new ATOM 0 HO5' DA B 11 1.233 13.177 5.790 1.00 0.70 H new ATOM 0 H1' DA B 11 -1.879 10.772 6.308 1.00 0.49 H new ATOM 0 H8 DA B 11 1.559 11.845 4.926 1.00 0.48 H new ATOM 0 H61 DA B 11 -1.420 12.848 -0.365 1.00 0.38 H new ATOM 0 H62 DA B 11 0.153 12.875 0.438 1.00 0.38 H new ATOM 0 H2 DA B 11 -4.414 11.543 2.717 1.00 0.43 H new ATOM 222 P DT B 12 1.312 8.441 9.154 1.00 0.67 P ATOM 223 OP1 DT B 12 1.419 8.039 10.573 1.00 0.81 O ATOM 224 OP2 DT B 12 2.466 8.258 8.245 1.00 0.74 O ATOM 225 O5' DT B 12 0.040 7.700 8.515 1.00 0.52 O ATOM 226 C5' DT B 12 -1.235 7.770 9.159 1.00 0.44 C ATOM 227 C4' DT B 12 -2.324 7.173 8.282 1.00 0.29 C ATOM 228 O4' DT B 12 -2.517 7.967 7.089 1.00 0.30 O ATOM 229 C3' DT B 12 -1.938 5.765 7.853 1.00 0.23 C ATOM 230 O3' DT B 12 -2.831 4.793 8.397 1.00 0.23 O ATOM 231 C2' DT B 12 -1.993 5.765 6.351 1.00 0.23 C ATOM 232 C1' DT B 12 -2.559 7.105 5.933 1.00 0.23 C ATOM 233 N1 DT B 12 -1.785 7.668 4.809 1.00 0.26 N ATOM 234 C2 DT B 12 -2.485 8.045 3.677 1.00 0.25 C ATOM 235 O2 DT B 12 -3.709 7.955 3.598 1.00 0.26 O ATOM 236 N3 DT B 12 -1.725 8.527 2.633 1.00 0.28 N ATOM 237 C4 DT B 12 -0.351 8.665 2.619 1.00 0.35 C ATOM 238 O4 DT B 12 0.220 9.113 1.628 1.00 0.40 O ATOM 239 C5 DT B 12 0.296 8.250 3.841 1.00 0.37 C ATOM 240 C7 DT B 12 1.816 8.339 3.955 1.00 0.47 C ATOM 241 C6 DT B 12 -0.422 7.776 4.877 1.00 0.32 C ATOM 0 H5' DT B 12 -1.475 8.809 9.386 1.00 0.44 H new ATOM 0 H5'' DT B 12 -1.196 7.237 10.109 1.00 0.44 H new ATOM 0 H4' DT B 12 -3.245 7.155 8.865 1.00 0.29 H new ATOM 0 H3' DT B 12 -0.946 5.500 8.218 1.00 0.23 H new ATOM 0 H2' DT B 12 -0.999 5.616 5.928 1.00 0.23 H new ATOM 0 H2'' DT B 12 -2.619 4.951 5.987 1.00 0.23 H new ATOM 0 H1' DT B 12 -3.586 7.001 5.583 1.00 0.23 H new ATOM 0 H3 DT B 12 -2.225 8.809 1.790 1.00 0.28 H new ATOM 0 H71 DT B 12 2.263 8.206 2.970 1.00 0.47 H new ATOM 0 H72 DT B 12 2.095 9.316 4.351 1.00 0.47 H new ATOM 0 H73 DT B 12 2.177 7.559 4.626 1.00 0.47 H new ATOM 0 H6 DT B 12 0.088 7.475 5.780 1.00 0.32 H new ATOM 254 P DG B 13 -2.608 3.232 8.088 1.00 0.27 P ATOM 255 OP1 DG B 13 -3.310 2.450 9.129 1.00 0.37 O ATOM 256 OP2 DG B 13 -1.164 3.006 7.840 1.00 0.34 O ATOM 257 O5' DG B 13 -3.389 3.045 6.696 1.00 0.25 O ATOM 258 C5' DG B 13 -4.814 3.194 6.634 1.00 0.28 C ATOM 259 C4' DG B 13 -5.428 2.372 5.514 1.00 0.25 C ATOM 260 O4' DG B 13 -4.922 2.798 4.229 1.00 0.24 O ATOM 261 C3' DG B 13 -5.097 0.896 5.685 1.00 0.25 C ATOM 262 O3' DG B 13 -6.268 0.148 6.044 1.00 0.28 O ATOM 263 C2' DG B 13 -4.539 0.448 4.357 1.00 0.24 C ATOM 264 C1' DG B 13 -4.590 1.646 3.429 1.00 0.22 C ATOM 265 N9 DG B 13 -3.303 1.835 2.730 1.00 0.21 N ATOM 266 C8 DG B 13 -2.039 1.599 3.157 1.00 0.21 C ATOM 267 N7 DG B 13 -1.070 1.838 2.331 1.00 0.21 N ATOM 268 C5 DG B 13 -1.772 2.290 1.204 1.00 0.19 C ATOM 269 C6 DG B 13 -1.290 2.716 -0.064 1.00 0.19 C ATOM 270 O6 DG B 13 -0.124 2.771 -0.460 1.00 0.21 O ATOM 271 N1 DG B 13 -2.330 3.090 -0.906 1.00 0.19 N ATOM 272 C2 DG B 13 -3.674 3.058 -0.577 1.00 0.21 C ATOM 273 N2 DG B 13 -4.531 3.436 -1.528 1.00 0.23 N ATOM 274 N3 DG B 13 -4.132 2.659 0.610 1.00 0.21 N ATOM 275 C4 DG B 13 -3.138 2.291 1.447 1.00 0.20 C ATOM 0 H5' DG B 13 -5.062 4.245 6.489 1.00 0.28 H new ATOM 0 H5'' DG B 13 -5.251 2.892 7.586 1.00 0.28 H new ATOM 0 H4' DG B 13 -6.507 2.520 5.558 1.00 0.25 H new ATOM 0 H3' DG B 13 -4.379 0.732 6.489 1.00 0.25 H new ATOM 0 H2' DG B 13 -3.515 0.090 4.469 1.00 0.24 H new ATOM 0 H2'' DG B 13 -5.123 -0.379 3.952 1.00 0.24 H new ATOM 0 H1' DG B 13 -5.342 1.493 2.655 1.00 0.22 H new ATOM 0 H8 DG B 13 -1.846 1.225 4.151 1.00 0.21 H new ATOM 0 H1 DG B 13 -2.083 3.414 -1.841 1.00 0.19 H new ATOM 0 H21 DG B 13 -5.534 3.432 -1.342 1.00 0.23 H new ATOM 0 H22 DG B 13 -4.183 3.728 -2.441 1.00 0.23 H new ATOM 287 P DC B 14 -6.302 -1.456 5.902 1.00 0.31 P ATOM 288 OP1 DC B 14 -7.455 -1.967 6.672 1.00 0.38 O ATOM 289 OP2 DC B 14 -4.944 -1.981 6.169 1.00 0.34 O ATOM 290 O5' DC B 14 -6.619 -1.643 4.336 1.00 0.27 O ATOM 291 C5' DC B 14 -7.831 -1.124 3.781 1.00 0.26 C ATOM 292 C4' DC B 14 -8.013 -1.557 2.333 1.00 0.22 C ATOM 293 O4' DC B 14 -6.996 -0.977 1.490 1.00 0.23 O ATOM 294 C3' DC B 14 -7.924 -3.069 2.216 1.00 0.22 C ATOM 295 O3' DC B 14 -9.199 -3.629 1.889 1.00 0.25 O ATOM 296 C2' DC B 14 -6.909 -3.340 1.136 1.00 0.22 C ATOM 297 C1' DC B 14 -6.371 -1.996 0.683 1.00 0.21 C ATOM 298 N1 DC B 14 -4.901 -1.941 0.823 1.00 0.20 N ATOM 299 C2 DC B 14 -4.159 -1.603 -0.298 1.00 0.20 C ATOM 300 O2 DC B 14 -4.715 -1.358 -1.366 1.00 0.23 O ATOM 301 N3 DC B 14 -2.810 -1.541 -0.181 1.00 0.20 N ATOM 302 C4 DC B 14 -2.205 -1.797 0.983 1.00 0.20 C ATOM 303 N4 DC B 14 -0.877 -1.710 1.056 1.00 0.21 N ATOM 304 C5 DC B 14 -2.961 -2.147 2.144 1.00 0.21 C ATOM 305 C6 DC B 14 -4.300 -2.208 2.021 1.00 0.20 C ATOM 0 H5' DC B 14 -7.821 -0.036 3.838 1.00 0.26 H new ATOM 0 H5'' DC B 14 -8.679 -1.466 4.373 1.00 0.26 H new ATOM 0 H4' DC B 14 -8.996 -1.213 2.010 1.00 0.22 H new ATOM 0 H3' DC B 14 -7.624 -3.529 3.158 1.00 0.22 H new ATOM 0 H2' DC B 14 -6.104 -3.970 1.514 1.00 0.22 H new ATOM 0 H2'' DC B 14 -7.366 -3.873 0.302 1.00 0.22 H new ATOM 0 H1' DC B 14 -6.600 -1.839 -0.371 1.00 0.21 H new ATOM 0 H41 DC B 14 -0.401 -1.902 1.937 1.00 0.21 H new ATOM 0 H42 DC B 14 -0.337 -1.451 0.230 1.00 0.21 H new ATOM 0 H5 DC B 14 -2.476 -2.355 3.086 1.00 0.21 H new ATOM 0 H6 DC B 14 -4.905 -2.470 2.877 1.00 0.20 H new ATOM 317 P DA B 15 -9.358 -5.204 1.605 1.00 0.27 P ATOM 318 OP1 DA B 15 -10.777 -5.571 1.812 1.00 0.35 O ATOM 319 OP2 DA B 15 -8.296 -5.923 2.344 1.00 0.30 O ATOM 320 O5' DA B 15 -9.039 -5.300 0.030 1.00 0.27 O ATOM 321 C5' DA B 15 -9.805 -4.530 -0.902 1.00 0.27 C ATOM 322 C4' DA B 15 -9.705 -5.081 -2.320 1.00 0.23 C ATOM 323 O4' DA B 15 -8.347 -5.025 -2.807 1.00 0.22 O ATOM 324 C3' DA B 15 -10.164 -6.528 -2.371 1.00 0.23 C ATOM 325 O3' DA B 15 -11.458 -6.635 -2.978 1.00 0.29 O ATOM 326 C2' DA B 15 -9.120 -7.256 -3.174 1.00 0.19 C ATOM 327 C1' DA B 15 -8.001 -6.269 -3.449 1.00 0.18 C ATOM 328 N9 DA B 15 -6.719 -6.778 -2.937 1.00 0.18 N ATOM 329 C8 DA B 15 -6.460 -7.476 -1.806 1.00 0.20 C ATOM 330 N7 DA B 15 -5.235 -7.813 -1.580 1.00 0.21 N ATOM 331 C5 DA B 15 -4.586 -7.275 -2.697 1.00 0.20 C ATOM 332 C6 DA B 15 -3.247 -7.264 -3.103 1.00 0.23 C ATOM 333 N6 DA B 15 -2.268 -7.819 -2.390 1.00 0.28 N ATOM 334 N1 DA B 15 -2.955 -6.645 -4.261 1.00 0.25 N ATOM 335 C2 DA B 15 -3.921 -6.067 -4.979 1.00 0.24 C ATOM 336 N3 DA B 15 -5.217 -6.016 -4.689 1.00 0.21 N ATOM 337 C4 DA B 15 -5.484 -6.644 -3.527 1.00 0.18 C ATOM 0 H5' DA B 15 -9.458 -3.497 -0.890 1.00 0.27 H new ATOM 0 H5'' DA B 15 -10.850 -4.519 -0.591 1.00 0.27 H new ATOM 0 H4' DA B 15 -10.347 -4.462 -2.947 1.00 0.23 H new ATOM 0 H3' DA B 15 -10.265 -6.954 -1.373 1.00 0.23 H new ATOM 0 H2' DA B 15 -8.745 -8.120 -2.625 1.00 0.19 H new ATOM 0 H2'' DA B 15 -9.542 -7.629 -4.107 1.00 0.19 H new ATOM 0 H1' DA B 15 -7.884 -6.122 -4.523 1.00 0.18 H new ATOM 0 H8 DA B 15 -7.250 -7.741 -1.118 1.00 0.20 H new ATOM 0 H61 DA B 15 -1.307 -7.784 -2.730 1.00 0.28 H new ATOM 0 H62 DA B 15 -2.480 -8.279 -1.504 1.00 0.28 H new ATOM 0 H2 DA B 15 -3.615 -5.588 -5.897 1.00 0.24 H new ATOM 349 P DT B 16 -12.030 -8.064 -3.458 1.00 0.33 P ATOM 350 OP1 DT B 16 -13.449 -7.891 -3.837 1.00 0.43 O ATOM 351 OP2 DT B 16 -11.655 -9.081 -2.448 1.00 0.37 O ATOM 352 O5' DT B 16 -11.181 -8.343 -4.798 1.00 0.30 O ATOM 353 C5' DT B 16 -11.308 -7.473 -5.929 1.00 0.34 C ATOM 354 C4' DT B 16 -10.346 -7.858 -7.048 1.00 0.36 C ATOM 355 O4' DT B 16 -8.975 -7.735 -6.611 1.00 0.34 O ATOM 356 C3' DT B 16 -10.572 -9.298 -7.494 1.00 0.43 C ATOM 357 O3' DT B 16 -11.059 -9.345 -8.839 1.00 0.58 O ATOM 358 C2' DT B 16 -9.233 -9.976 -7.382 1.00 0.44 C ATOM 359 C1' DT B 16 -8.228 -8.902 -7.008 1.00 0.38 C ATOM 360 N1 DT B 16 -7.336 -9.354 -5.920 1.00 0.31 N ATOM 361 C2 DT B 16 -5.972 -9.263 -6.135 1.00 0.37 C ATOM 362 O2 DT B 16 -5.497 -8.824 -7.181 1.00 0.49 O ATOM 363 N3 DT B 16 -5.167 -9.693 -5.103 1.00 0.34 N ATOM 364 C4 DT B 16 -5.593 -10.198 -3.891 1.00 0.27 C ATOM 365 O4 DT B 16 -4.776 -10.547 -3.042 1.00 0.31 O ATOM 366 C5 DT B 16 -7.030 -10.258 -3.750 1.00 0.23 C ATOM 367 C7 DT B 16 -7.639 -10.801 -2.460 1.00 0.29 C ATOM 368 C6 DT B 16 -7.842 -9.844 -4.745 1.00 0.24 C ATOM 0 H5' DT B 16 -11.115 -6.445 -5.621 1.00 0.34 H new ATOM 0 H5'' DT B 16 -12.332 -7.507 -6.301 1.00 0.34 H new ATOM 0 H4' DT B 16 -10.536 -7.179 -7.879 1.00 0.36 H new ATOM 0 H3' DT B 16 -11.322 -9.794 -6.878 1.00 0.43 H new ATOM 0 H2' DT B 16 -9.259 -10.761 -6.626 1.00 0.44 H new ATOM 0 H2'' DT B 16 -8.960 -10.450 -8.325 1.00 0.44 H new ATOM 0 HO3' DT B 16 -11.195 -10.278 -9.105 1.00 0.58 H new ATOM 0 H1' DT B 16 -7.586 -8.675 -7.859 1.00 0.38 H new ATOM 0 H3 DT B 16 -4.159 -9.632 -5.249 1.00 0.34 H new ATOM 0 H71 DT B 16 -8.600 -10.320 -2.281 1.00 0.29 H new ATOM 0 H72 DT B 16 -7.784 -11.878 -2.551 1.00 0.29 H new ATOM 0 H73 DT B 16 -6.968 -10.594 -1.626 1.00 0.29 H new ATOM 0 H6 DT B 16 -8.912 -9.900 -4.612 1.00 0.24 H new TER 382 DT B 16 HETATM 383 C1 XR2 A 21 1.347 -3.383 -3.595 1.00 0.21 C HETATM 384 C2 XR2 A 21 1.348 -2.896 -4.893 1.00 0.23 C HETATM 385 C3 XR2 A 21 0.163 -2.742 -5.592 1.00 0.23 C HETATM 386 C4 XR2 A 21 -1.037 -3.086 -4.977 1.00 0.22 C HETATM 387 C12 XR2 A 21 -1.045 -3.580 -3.667 1.00 0.19 C HETATM 388 C11 XR2 A 21 0.156 -3.730 -2.974 1.00 0.20 C HETATM 389 N5 XR2 A 21 -2.246 -3.885 -3.145 1.00 0.20 N HETATM 390 N10 XR2 A 21 0.115 -4.219 -1.689 1.00 0.20 N HETATM 391 C13 XR2 A 21 -2.253 -4.356 -1.885 1.00 0.19 C HETATM 392 C14 XR2 A 21 -1.102 -4.536 -1.126 1.00 0.20 C HETATM 393 C6 XR2 A 21 -3.500 -4.671 -1.337 1.00 0.20 C HETATM 394 C7 XR2 A 21 -3.597 -5.167 -0.035 1.00 0.21 C HETATM 395 C8 XR2 A 21 -2.440 -5.343 0.721 1.00 0.22 C HETATM 396 C9 XR2 A 21 -1.216 -5.041 0.205 1.00 0.22 C HETATM 397 C9A XR2 A 21 0.031 -5.254 1.065 1.00 0.25 C HETATM 398 C XR2 A 21 2.685 -3.485 -2.899 1.00 0.22 C HETATM 399 O XR2 A 21 2.878 -4.327 -2.025 1.00 0.25 O HETATM 400 N XR2 A 21 3.503 -2.470 -3.068 1.00 0.19 N HETATM 401 CA XR2 A 21 4.322 -1.932 -1.939 1.00 0.23 C HETATM 402 CB XR2 A 21 3.309 -1.499 -0.871 1.00 0.26 C HETATM 403 NG XR2 A 21 2.542 -0.359 -1.475 1.00 0.19 N HETATM 404 CD XR2 A 21 2.837 0.854 -0.654 1.00 0.25 C HETATM 405 N' XR2 A 21 1.729 3.867 3.214 1.00 0.19 N HETATM 406 C' XR2 A 21 1.460 5.007 2.617 1.00 0.21 C HETATM 407 O' XR2 A 21 2.353 5.726 2.174 1.00 0.25 O HETATM 408 C1' XR2 A 21 0.019 5.223 2.216 1.00 0.21 C HETATM 409 C2' XR2 A 21 -0.953 4.846 3.132 1.00 0.23 C HETATM 410 C3' XR2 A 21 -2.300 4.979 2.831 1.00 0.24 C HETATM 411 C4' XR2 A 21 -2.669 5.504 1.592 1.00 0.22 C HETATM 412 CCX XR2 A 21 -1.691 5.890 0.666 1.00 0.20 C HETATM 413 N5' XR2 A 21 -2.131 6.384 -0.504 1.00 0.19 N HETATM 414 CDX XR2 A 21 -1.193 6.750 -1.395 1.00 0.18 C HETATM 415 CEX XR2 A 21 0.174 6.643 -1.159 1.00 0.19 C HETATM 416 NAX XR2 A 21 0.595 6.136 0.051 1.00 0.20 N HETATM 417 CBX XR2 A 21 -0.340 5.748 0.983 1.00 0.19 C HETATM 418 C9' XR2 A 21 1.091 7.058 -2.172 1.00 0.21 C HETATM 419 C8' XR2 A 21 0.629 7.554 -3.354 1.00 0.22 C HETATM 420 C7' XR2 A 21 -0.739 7.668 -3.593 1.00 0.20 C HETATM 421 C6' XR2 A 21 -1.646 7.262 -2.615 1.00 0.19 C HETATM 422 C9X XR2 A 21 2.600 6.957 -1.942 1.00 0.25 C HETATM 423 CA' XR2 A 21 2.969 3.095 2.898 1.00 0.23 C HETATM 424 CB' XR2 A 21 2.887 2.789 1.396 1.00 0.26 C HETATM 425 NG' XR2 A 21 1.714 1.871 1.231 1.00 0.19 N HETATM 426 CD' XR2 A 21 2.245 0.564 0.736 1.00 0.25 C HETATM 0 HG2' XR2 A 21 1.224 1.749 2.117 1.00 0.19 H new HETATM 0 HG1' XR2 A 21 1.042 2.260 0.570 1.00 0.19 H new HETATM 0 HD2' XR2 A 21 1.453 -0.183 0.676 1.00 0.25 H new HETATM 0 HD1' XR2 A 21 3.005 0.170 1.411 1.00 0.25 H new HETATM 0 HB2' XR2 A 21 2.753 3.703 0.817 1.00 0.26 H new HETATM 0 HB1' XR2 A 21 3.804 2.319 1.042 1.00 0.26 H new HETATM 0 HA2' XR2 A 21 3.862 3.673 3.133 1.00 0.23 H new HETATM 0 HA1' XR2 A 21 3.020 2.177 3.484 1.00 0.23 H new HETATM 0 H93' XR2 A 21 2.878 7.562 -1.079 1.00 0.25 H new HETATM 0 H92' XR2 A 21 2.871 5.917 -1.759 1.00 0.25 H new HETATM 0 H91' XR2 A 21 3.128 7.319 -2.824 1.00 0.25 H new HETATM 0 H10' XR2 A 21 1.591 6.049 0.254 1.00 0.20 H new HETATM 0 HN' XR2 A 21 1.077 3.501 3.908 1.00 0.19 H new HETATM 0 HN XR2 A 21 3.581 -2.040 -3.990 1.00 0.19 H new HETATM 0 HG2 XR2 A 21 2.819 -0.213 -2.446 1.00 0.19 H new HETATM 0 HG1 XR2 A 21 1.542 -0.558 -1.477 1.00 0.19 H new HETATM 0 HD2 XR2 A 21 3.910 1.035 -0.593 1.00 0.25 H new HETATM 0 HD1 XR2 A 21 2.388 1.744 -1.094 1.00 0.25 H new HETATM 0 HB2 XR2 A 21 2.644 -2.321 -0.606 1.00 0.26 H new HETATM 0 HB1 XR2 A 21 3.814 -1.190 0.044 1.00 0.26 H new HETATM 0 HA2 XR2 A 21 5.002 -2.690 -1.551 1.00 0.23 H new HETATM 0 HA1 XR2 A 21 4.934 -1.091 -2.264 1.00 0.23 H new HETATM 0 H93 XR2 A 21 0.694 -5.967 0.575 1.00 0.25 H new HETATM 0 H92 XR2 A 21 0.551 -4.305 1.193 1.00 0.25 H new HETATM 0 H91 XR2 A 21 -0.262 -5.642 2.041 1.00 0.25 H new HETATM 0 H8' XR2 A 21 1.338 7.865 -4.121 1.00 0.22 H new HETATM 0 H8 XR2 A 21 -2.515 -5.727 1.738 1.00 0.22 H new HETATM 0 H7' XR2 A 21 -1.098 8.072 -4.539 1.00 0.20 H new HETATM 0 H7 XR2 A 21 -4.571 -5.415 0.387 1.00 0.21 H new HETATM 0 H6' XR2 A 21 -2.717 7.344 -2.803 1.00 0.19 H new HETATM 0 H6 XR2 A 21 -4.403 -4.528 -1.930 1.00 0.20 H new HETATM 0 H4' XR2 A 21 -3.724 5.614 1.343 1.00 0.22 H new HETATM 0 H4 XR2 A 21 -1.976 -2.970 -5.518 1.00 0.22 H new HETATM 0 H3' XR2 A 21 -3.060 4.678 3.552 1.00 0.24 H new HETATM 0 H3 XR2 A 21 0.170 -2.356 -6.611 1.00 0.23 H new HETATM 0 H2' XR2 A 21 -0.654 4.441 4.099 1.00 0.23 H new HETATM 0 H2 XR2 A 21 2.292 -2.631 -5.369 1.00 0.23 H new HETATM 0 H10 XR2 A 21 0.977 -4.346 -1.158 1.00 0.20 H new