USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 276 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 Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl -30:sc= -1.49 (180deg=-5.61!) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.145 (180deg=-0.145) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.15 (180deg=-0.15) USER MOD Single : A 8 DT C7 :methyl -30:sc= -0.746 (180deg=-3.82!) USER MOD Single : A 12 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DA O5' : rot 180:sc= 0 USER MOD Single : B 5 DT C7 :methyl -30:sc= -1.6 (180deg=-5.67!) USER MOD Single : B 6 DT C7 :methyl 150:sc= -0.136 (180deg=-0.136) USER MOD Single : B 7 DT C7 :methyl 150:sc= -0.154 (180deg=-0.154) USER MOD Single : B 8 DT C7 :methyl -30:sc= -0.732 (180deg=-3.78!) USER MOD Single : B 12 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 13.219 9.939 0.498 1.00 0.00 O ATOM 2 C5' DA A 1 12.267 8.971 0.948 1.00 0.00 C ATOM 3 C4' DA A 1 11.115 9.643 1.714 1.00 0.00 C ATOM 4 O4' DA A 1 10.407 10.574 0.858 1.00 0.00 O ATOM 5 C3' DA A 1 10.100 8.622 2.243 1.00 0.00 C ATOM 6 O3' DA A 1 10.046 8.660 3.678 1.00 0.00 O ATOM 7 C2' DA A 1 8.767 9.022 1.648 1.00 0.00 C ATOM 8 C1' DA A 1 8.982 10.343 0.937 1.00 0.00 C ATOM 9 N9 DA A 1 8.364 10.288 -0.390 1.00 0.00 N ATOM 10 C8 DA A 1 7.178 10.782 -0.772 1.00 0.00 C ATOM 11 N7 DA A 1 6.780 10.534 -1.976 1.00 0.00 N ATOM 12 C5 DA A 1 7.845 9.771 -2.469 1.00 0.00 C ATOM 13 C6 DA A 1 8.087 9.162 -3.708 1.00 0.00 C ATOM 14 N6 DA A 1 7.220 9.197 -4.726 1.00 0.00 N ATOM 15 N1 DA A 1 9.243 8.491 -3.848 1.00 0.00 N ATOM 16 C2 DA A 1 10.110 8.418 -2.834 1.00 0.00 C ATOM 17 N3 DA A 1 9.981 8.951 -1.624 1.00 0.00 N ATOM 18 C4 DA A 1 8.818 9.620 -1.506 1.00 0.00 C ATOM 0 H5' DA A 1 12.760 8.243 1.592 1.00 0.00 H new ATOM 0 H5'' DA A 1 11.869 8.423 0.094 1.00 0.00 H new ATOM 0 H4' DA A 1 11.569 10.164 2.556 1.00 0.00 H new ATOM 0 H3' DA A 1 10.373 7.604 1.965 1.00 0.00 H new ATOM 0 H2' DA A 1 8.411 8.262 0.952 1.00 0.00 H new ATOM 0 H2'' DA A 1 8.011 9.121 2.426 1.00 0.00 H new ATOM 0 HO5' DA A 1 13.942 9.487 0.015 1.00 0.00 H new ATOM 0 H1' DA A 1 8.518 11.168 1.478 1.00 0.00 H new ATOM 0 H8 DA A 1 6.574 11.369 -0.095 1.00 0.00 H new ATOM 0 H61 DA A 1 7.449 8.736 -5.607 1.00 0.00 H new ATOM 0 H62 DA A 1 6.330 9.685 -4.622 1.00 0.00 H new ATOM 0 H2 DA A 1 11.018 7.863 -3.019 1.00 0.00 H new ATOM 31 P DA A 2 8.915 7.836 4.487 1.00 0.00 P ATOM 32 OP1 DA A 2 9.216 7.925 5.933 1.00 0.00 O ATOM 33 OP2 DA A 2 8.760 6.509 3.856 1.00 0.00 O ATOM 34 O5' DA A 2 7.584 8.681 4.193 1.00 0.00 O ATOM 35 C5' DA A 2 7.361 9.970 4.776 1.00 0.00 C ATOM 36 C4' DA A 2 5.946 10.444 4.458 1.00 0.00 C ATOM 37 O4' DA A 2 5.777 10.595 3.029 1.00 0.00 O ATOM 38 C3' DA A 2 4.885 9.446 4.951 1.00 0.00 C ATOM 39 O3' DA A 2 4.030 10.060 5.924 1.00 0.00 O ATOM 40 C2' DA A 2 4.107 9.041 3.727 1.00 0.00 C ATOM 41 C1' DA A 2 4.559 9.952 2.603 1.00 0.00 C ATOM 42 N9 DA A 2 4.763 9.207 1.343 1.00 0.00 N ATOM 43 C8 DA A 2 5.444 8.055 1.102 1.00 0.00 C ATOM 44 N7 DA A 2 5.505 7.644 -0.118 1.00 0.00 N ATOM 45 C5 DA A 2 4.774 8.634 -0.786 1.00 0.00 C ATOM 46 C6 DA A 2 4.439 8.823 -2.133 1.00 0.00 C ATOM 47 N6 DA A 2 4.845 8.008 -3.105 1.00 0.00 N ATOM 48 N1 DA A 2 3.699 9.906 -2.442 1.00 0.00 N ATOM 49 C2 DA A 2 3.316 10.757 -1.488 1.00 0.00 C ATOM 50 N3 DA A 2 3.582 10.676 -0.189 1.00 0.00 N ATOM 51 C4 DA A 2 4.319 9.584 0.097 1.00 0.00 C ATOM 0 H5' DA A 2 8.089 10.684 4.391 1.00 0.00 H new ATOM 0 H5'' DA A 2 7.504 9.921 5.855 1.00 0.00 H new ATOM 0 H4' DA A 2 5.812 11.397 4.969 1.00 0.00 H new ATOM 0 H3' DA A 2 5.337 8.582 5.437 1.00 0.00 H new ATOM 0 H2' DA A 2 4.294 7.997 3.478 1.00 0.00 H new ATOM 0 H2'' DA A 2 3.035 9.141 3.899 1.00 0.00 H new ATOM 0 H1' DA A 2 3.788 10.694 2.395 1.00 0.00 H new ATOM 0 H8 DA A 2 5.916 7.505 1.903 1.00 0.00 H new ATOM 0 H61 DA A 2 4.573 8.191 -4.071 1.00 0.00 H new ATOM 0 H62 DA A 2 5.428 7.201 -2.884 1.00 0.00 H new ATOM 0 H2 DA A 2 2.726 11.603 -1.807 1.00 0.00 H new ATOM 63 P DG A 3 3.454 9.215 7.170 1.00 0.00 P ATOM 64 OP1 DG A 3 3.896 9.875 8.418 1.00 0.00 O ATOM 65 OP2 DG A 3 3.750 7.781 6.946 1.00 0.00 O ATOM 66 O5' DG A 3 1.866 9.433 7.025 1.00 0.00 O ATOM 67 C5' DG A 3 1.256 9.455 5.732 1.00 0.00 C ATOM 68 C4' DG A 3 -0.221 9.803 5.800 1.00 0.00 C ATOM 69 O4' DG A 3 -0.817 9.752 4.481 1.00 0.00 O ATOM 70 C3' DG A 3 -0.949 8.814 6.688 1.00 0.00 C ATOM 71 O3' DG A 3 -1.846 9.497 7.576 1.00 0.00 O ATOM 72 C2' DG A 3 -1.698 7.925 5.725 1.00 0.00 C ATOM 73 C1' DG A 3 -1.838 8.736 4.448 1.00 0.00 C ATOM 74 N9 DG A 3 -1.715 7.893 3.248 1.00 0.00 N ATOM 75 C8 DG A 3 -2.492 7.881 2.143 1.00 0.00 C ATOM 76 N7 DG A 3 -2.223 7.015 1.228 1.00 0.00 N ATOM 77 C5 DG A 3 -1.121 6.358 1.777 1.00 0.00 C ATOM 78 C6 DG A 3 -0.354 5.292 1.253 1.00 0.00 C ATOM 79 O6 DG A 3 -0.503 4.710 0.182 1.00 0.00 O ATOM 80 N1 DG A 3 0.666 4.922 2.118 1.00 0.00 N ATOM 81 C2 DG A 3 0.923 5.508 3.344 1.00 0.00 C ATOM 82 N2 DG A 3 1.953 5.016 4.041 1.00 0.00 N ATOM 83 N3 DG A 3 0.203 6.516 3.845 1.00 0.00 N ATOM 84 C4 DG A 3 -0.798 6.891 3.017 1.00 0.00 C ATOM 0 H5' DG A 3 1.376 8.481 5.259 1.00 0.00 H new ATOM 0 H5'' DG A 3 1.770 10.181 5.102 1.00 0.00 H new ATOM 0 H4' DG A 3 -0.309 10.811 6.206 1.00 0.00 H new ATOM 0 H3' DG A 3 -0.273 8.245 7.326 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.155 6.998 5.543 1.00 0.00 H new ATOM 0 H2'' DG A 3 -2.674 7.649 6.124 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.829 9.186 4.394 1.00 0.00 H new ATOM 0 H8 DG A 3 -3.312 8.575 2.030 1.00 0.00 H new ATOM 0 H1 DG A 3 1.275 4.157 1.826 1.00 0.00 H new ATOM 0 H21 DG A 3 2.187 5.411 4.952 1.00 0.00 H new ATOM 0 H22 DG A 3 2.504 4.246 3.662 1.00 0.00 H new ATOM 96 P DG A 4 -2.927 8.690 8.456 1.00 0.00 P ATOM 97 OP1 DG A 4 -3.460 9.606 9.491 1.00 0.00 O ATOM 98 OP2 DG A 4 -2.333 7.393 8.852 1.00 0.00 O ATOM 99 O5' DG A 4 -4.090 8.408 7.385 1.00 0.00 O ATOM 100 C5' DG A 4 -4.766 9.493 6.745 1.00 0.00 C ATOM 101 C4' DG A 4 -5.619 9.000 5.588 1.00 0.00 C ATOM 102 O4' DG A 4 -4.831 8.279 4.624 1.00 0.00 O ATOM 103 C3' DG A 4 -6.696 8.057 6.089 1.00 0.00 C ATOM 104 O3' DG A 4 -7.967 8.710 6.161 1.00 0.00 O ATOM 105 C2' DG A 4 -6.717 6.923 5.095 1.00 0.00 C ATOM 106 C1' DG A 4 -5.637 7.224 4.076 1.00 0.00 C ATOM 107 N9 DG A 4 -4.832 6.019 3.799 1.00 0.00 N ATOM 108 C8 DG A 4 -4.064 5.291 4.639 1.00 0.00 C ATOM 109 N7 DG A 4 -3.449 4.260 4.155 1.00 0.00 N ATOM 110 C5 DG A 4 -3.859 4.295 2.817 1.00 0.00 C ATOM 111 C6 DG A 4 -3.533 3.427 1.742 1.00 0.00 C ATOM 112 O6 DG A 4 -2.797 2.447 1.756 1.00 0.00 O ATOM 113 N1 DG A 4 -4.156 3.813 0.565 1.00 0.00 N ATOM 114 C2 DG A 4 -4.992 4.904 0.434 1.00 0.00 C ATOM 115 N2 DG A 4 -5.511 5.123 -0.774 1.00 0.00 N ATOM 116 N3 DG A 4 -5.302 5.727 1.440 1.00 0.00 N ATOM 117 C4 DG A 4 -4.706 5.370 2.594 1.00 0.00 C ATOM 0 H5' DG A 4 -4.036 10.216 6.381 1.00 0.00 H new ATOM 0 H5'' DG A 4 -5.394 10.012 7.469 1.00 0.00 H new ATOM 0 H4' DG A 4 -6.059 9.882 5.122 1.00 0.00 H new ATOM 0 H3' DG A 4 -6.489 7.706 7.100 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.529 5.970 5.590 1.00 0.00 H new ATOM 0 H2'' DG A 4 -7.693 6.846 4.615 1.00 0.00 H new ATOM 0 H1' DG A 4 -6.070 7.533 3.124 1.00 0.00 H new ATOM 0 H8 DG A 4 -3.966 5.560 5.680 1.00 0.00 H new ATOM 0 H1 DG A 4 -3.984 3.248 -0.267 1.00 0.00 H new ATOM 0 H21 DG A 4 -6.135 5.916 -0.925 1.00 0.00 H new ATOM 0 H22 DG A 4 -5.284 4.498 -1.547 1.00 0.00 H new ATOM 129 P DT A 5 -9.262 7.912 6.691 1.00 0.00 P ATOM 130 OP1 DT A 5 -10.298 8.904 7.053 1.00 0.00 O ATOM 131 OP2 DT A 5 -8.818 6.916 7.690 1.00 0.00 O ATOM 132 O5' DT A 5 -9.753 7.130 5.375 1.00 0.00 O ATOM 133 C5' DT A 5 -10.264 7.871 4.261 1.00 0.00 C ATOM 134 C4' DT A 5 -10.465 7.000 3.030 1.00 0.00 C ATOM 135 O4' DT A 5 -9.243 6.317 2.668 1.00 0.00 O ATOM 136 C3' DT A 5 -11.542 5.947 3.268 1.00 0.00 C ATOM 137 O3' DT A 5 -12.643 6.129 2.381 1.00 0.00 O ATOM 138 C2' DT A 5 -10.872 4.626 2.975 1.00 0.00 C ATOM 139 C1' DT A 5 -9.567 4.977 2.267 1.00 0.00 C ATOM 140 N1 DT A 5 -8.500 4.027 2.626 1.00 0.00 N ATOM 141 C2 DT A 5 -7.900 3.327 1.594 1.00 0.00 C ATOM 142 O2 DT A 5 -8.235 3.472 0.419 1.00 0.00 O ATOM 143 N3 DT A 5 -6.908 2.440 1.966 1.00 0.00 N ATOM 144 C4 DT A 5 -6.474 2.201 3.265 1.00 0.00 C ATOM 145 O4 DT A 5 -5.589 1.387 3.497 1.00 0.00 O ATOM 146 C5 DT A 5 -7.159 2.976 4.266 1.00 0.00 C ATOM 147 C7 DT A 5 -6.773 2.814 5.733 1.00 0.00 C ATOM 148 C6 DT A 5 -8.128 3.843 3.929 1.00 0.00 C ATOM 0 H5' DT A 5 -9.576 8.682 4.021 1.00 0.00 H new ATOM 0 H5'' DT A 5 -11.213 8.330 4.538 1.00 0.00 H new ATOM 0 H4' DT A 5 -10.771 7.666 2.223 1.00 0.00 H new ATOM 0 H3' DT A 5 -11.936 6.006 4.283 1.00 0.00 H new ATOM 0 H2' DT A 5 -10.683 4.070 3.893 1.00 0.00 H new ATOM 0 H2'' DT A 5 -11.503 3.997 2.346 1.00 0.00 H new ATOM 0 H1' DT A 5 -9.671 4.913 1.184 1.00 0.00 H new ATOM 0 H3 DT A 5 -6.453 1.913 1.220 1.00 0.00 H new ATOM 0 H71 DT A 5 -6.417 1.798 5.905 1.00 0.00 H new ATOM 0 H72 DT A 5 -5.983 3.523 5.982 1.00 0.00 H new ATOM 0 H73 DT A 5 -7.643 3.005 6.361 1.00 0.00 H new ATOM 0 H6 DT A 5 -8.624 4.407 4.704 1.00 0.00 H new ATOM 161 P DT A 6 -13.803 7.193 2.693 1.00 0.00 P ATOM 162 OP1 DT A 6 -13.169 8.475 3.077 1.00 0.00 O ATOM 163 OP2 DT A 6 -14.795 6.555 3.586 1.00 0.00 O ATOM 164 O5' DT A 6 -14.465 7.372 1.240 1.00 0.00 O ATOM 165 C5' DT A 6 -15.451 6.450 0.757 1.00 0.00 C ATOM 166 C4' DT A 6 -14.908 5.563 -0.382 1.00 0.00 C ATOM 167 O4' DT A 6 -14.153 6.359 -1.335 1.00 0.00 O ATOM 168 C3' DT A 6 -13.981 4.451 0.128 1.00 0.00 C ATOM 169 O3' DT A 6 -14.387 3.192 -0.429 1.00 0.00 O ATOM 170 C2' DT A 6 -12.600 4.824 -0.365 1.00 0.00 C ATOM 171 C1' DT A 6 -12.832 5.799 -1.519 1.00 0.00 C ATOM 172 N1 DT A 6 -11.807 6.867 -1.574 1.00 0.00 N ATOM 173 C2 DT A 6 -11.038 6.925 -2.724 1.00 0.00 C ATOM 174 O2 DT A 6 -11.151 6.098 -3.629 1.00 0.00 O ATOM 175 N3 DT A 6 -10.129 7.958 -2.798 1.00 0.00 N ATOM 176 C4 DT A 6 -9.917 8.931 -1.838 1.00 0.00 C ATOM 177 O4 DT A 6 -9.075 9.808 -2.013 1.00 0.00 O ATOM 178 C5 DT A 6 -10.759 8.793 -0.668 1.00 0.00 C ATOM 179 C7 DT A 6 -10.638 9.808 0.465 1.00 0.00 C ATOM 180 C6 DT A 6 -11.658 7.789 -0.567 1.00 0.00 C ATOM 0 H5' DT A 6 -16.321 7.003 0.402 1.00 0.00 H new ATOM 0 H5'' DT A 6 -15.789 5.818 1.578 1.00 0.00 H new ATOM 0 H4' DT A 6 -15.782 5.112 -0.852 1.00 0.00 H new ATOM 0 H3' DT A 6 -14.008 4.354 1.213 1.00 0.00 H new ATOM 0 H2' DT A 6 -12.011 5.286 0.427 1.00 0.00 H new ATOM 0 H2'' DT A 6 -12.051 3.944 -0.699 1.00 0.00 H new ATOM 0 H1' DT A 6 -12.754 5.270 -2.469 1.00 0.00 H new ATOM 0 H3 DT A 6 -9.558 8.010 -3.641 1.00 0.00 H new ATOM 0 H71 DT A 6 -11.601 9.912 0.965 1.00 0.00 H new ATOM 0 H72 DT A 6 -9.892 9.466 1.182 1.00 0.00 H new ATOM 0 H73 DT A 6 -10.334 10.773 0.058 1.00 0.00 H new ATOM 0 H6 DT A 6 -12.269 7.710 0.320 1.00 0.00 H new ATOM 193 P DT A 7 -14.161 1.806 0.357 1.00 0.00 P ATOM 194 OP1 DT A 7 -15.200 0.853 -0.092 1.00 0.00 O ATOM 195 OP2 DT A 7 -14.004 2.099 1.797 1.00 0.00 O ATOM 196 O5' DT A 7 -12.737 1.306 -0.205 1.00 0.00 O ATOM 197 C5' DT A 7 -12.568 0.939 -1.581 1.00 0.00 C ATOM 198 C4' DT A 7 -11.275 0.150 -1.780 1.00 0.00 C ATOM 199 O4' DT A 7 -10.229 0.607 -0.881 1.00 0.00 O ATOM 200 C3' DT A 7 -11.517 -1.317 -1.496 1.00 0.00 C ATOM 201 O3' DT A 7 -11.176 -2.083 -2.643 1.00 0.00 O ATOM 202 C2' DT A 7 -10.635 -1.661 -0.315 1.00 0.00 C ATOM 203 C1' DT A 7 -9.660 -0.513 -0.164 1.00 0.00 C ATOM 204 N1 DT A 7 -9.477 -0.186 1.261 1.00 0.00 N ATOM 205 C2 DT A 7 -8.295 -0.584 1.867 1.00 0.00 C ATOM 206 O2 DT A 7 -7.404 -1.171 1.258 1.00 0.00 O ATOM 207 N3 DT A 7 -8.178 -0.297 3.207 1.00 0.00 N ATOM 208 C4 DT A 7 -9.122 0.343 3.988 1.00 0.00 C ATOM 209 O4 DT A 7 -8.907 0.551 5.175 1.00 0.00 O ATOM 210 C5 DT A 7 -10.325 0.722 3.278 1.00 0.00 C ATOM 211 C7 DT A 7 -11.464 1.395 4.047 1.00 0.00 C ATOM 212 C6 DT A 7 -10.463 0.455 1.961 1.00 0.00 C ATOM 0 H5' DT A 7 -12.551 1.835 -2.201 1.00 0.00 H new ATOM 0 H5'' DT A 7 -13.418 0.341 -1.909 1.00 0.00 H new ATOM 0 H4' DT A 7 -10.959 0.302 -2.812 1.00 0.00 H new ATOM 0 H3' DT A 7 -12.561 -1.532 -1.268 1.00 0.00 H new ATOM 0 H2' DT A 7 -11.229 -1.788 0.590 1.00 0.00 H new ATOM 0 H2'' DT A 7 -10.107 -2.600 -0.484 1.00 0.00 H new ATOM 0 H1' DT A 7 -8.679 -0.769 -0.563 1.00 0.00 H new ATOM 0 H3 DT A 7 -7.314 -0.583 3.667 1.00 0.00 H new ATOM 0 H71 DT A 7 -12.008 2.064 3.380 1.00 0.00 H new ATOM 0 H72 DT A 7 -12.143 0.634 4.431 1.00 0.00 H new ATOM 0 H73 DT A 7 -11.053 1.967 4.879 1.00 0.00 H new ATOM 0 H6 DT A 7 -11.367 0.753 1.451 1.00 0.00 H new ATOM 225 P DT A 8 -11.555 -3.634 -2.739 1.00 0.00 P ATOM 226 OP1 DT A 8 -12.656 -3.792 -3.713 1.00 0.00 O ATOM 227 OP2 DT A 8 -11.683 -4.178 -1.370 1.00 0.00 O ATOM 228 O5' DT A 8 -10.230 -4.250 -3.386 1.00 0.00 O ATOM 229 C5' DT A 8 -9.074 -4.454 -2.579 1.00 0.00 C ATOM 230 C4' DT A 8 -8.322 -5.686 -3.038 1.00 0.00 C ATOM 231 O4' DT A 8 -9.207 -6.833 -3.064 1.00 0.00 O ATOM 232 C3' DT A 8 -7.780 -5.476 -4.440 1.00 0.00 C ATOM 233 O3' DT A 8 -6.402 -5.820 -4.493 1.00 0.00 O ATOM 234 C2' DT A 8 -8.591 -6.390 -5.328 1.00 0.00 C ATOM 235 C1' DT A 8 -9.248 -7.395 -4.392 1.00 0.00 C ATOM 236 N1 DT A 8 -10.637 -7.702 -4.813 1.00 0.00 N ATOM 237 C2 DT A 8 -10.919 -9.017 -5.136 1.00 0.00 C ATOM 238 O2 DT A 8 -10.071 -9.905 -5.073 1.00 0.00 O ATOM 239 N3 DT A 8 -12.213 -9.281 -5.536 1.00 0.00 N ATOM 240 C4 DT A 8 -13.239 -8.361 -5.639 1.00 0.00 C ATOM 241 O4 DT A 8 -14.357 -8.711 -6.009 1.00 0.00 O ATOM 242 C5 DT A 8 -12.859 -7.013 -5.284 1.00 0.00 C ATOM 243 C7 DT A 8 -13.895 -5.895 -5.355 1.00 0.00 C ATOM 244 C6 DT A 8 -11.601 -6.725 -4.890 1.00 0.00 C ATOM 0 H5' DT A 8 -9.366 -4.566 -1.535 1.00 0.00 H new ATOM 0 H5'' DT A 8 -8.424 -3.581 -2.636 1.00 0.00 H new ATOM 0 H4' DT A 8 -7.503 -5.861 -2.341 1.00 0.00 H new ATOM 0 H3' DT A 8 -7.860 -4.436 -4.755 1.00 0.00 H new ATOM 0 H2' DT A 8 -9.339 -5.829 -5.888 1.00 0.00 H new ATOM 0 H2'' DT A 8 -7.956 -6.892 -6.058 1.00 0.00 H new ATOM 0 H1' DT A 8 -8.712 -8.344 -4.417 1.00 0.00 H new ATOM 0 H3 DT A 8 -12.433 -10.247 -5.779 1.00 0.00 H new ATOM 0 H71 DT A 8 -14.622 -6.122 -6.135 1.00 0.00 H new ATOM 0 H72 DT A 8 -14.406 -5.811 -4.396 1.00 0.00 H new ATOM 0 H73 DT A 8 -13.398 -4.953 -5.585 1.00 0.00 H new ATOM 0 H6 DT A 8 -11.347 -5.708 -4.630 1.00 0.00 H new ATOM 257 P DA A 9 -5.585 -5.675 -5.864 1.00 0.00 P ATOM 258 OP1 DA A 9 -6.480 -5.082 -6.885 1.00 0.00 O ATOM 259 OP2 DA A 9 -4.903 -6.957 -6.138 1.00 0.00 O ATOM 260 O5' DA A 9 -4.464 -4.589 -5.492 1.00 0.00 O ATOM 261 C5' DA A 9 -4.823 -3.311 -4.961 1.00 0.00 C ATOM 262 C4' DA A 9 -4.174 -3.085 -3.594 1.00 0.00 C ATOM 263 O4' DA A 9 -4.251 -1.693 -3.199 1.00 0.00 O ATOM 264 C3' DA A 9 -4.860 -3.922 -2.510 1.00 0.00 C ATOM 265 O3' DA A 9 -3.923 -4.827 -1.896 1.00 0.00 O ATOM 266 C2' DA A 9 -5.383 -2.925 -1.501 1.00 0.00 C ATOM 267 C1' DA A 9 -4.722 -1.597 -1.841 1.00 0.00 C ATOM 268 N9 DA A 9 -5.667 -0.492 -1.690 1.00 0.00 N ATOM 269 C8 DA A 9 -5.695 0.463 -0.740 1.00 0.00 C ATOM 270 N7 DA A 9 -6.619 1.356 -0.814 1.00 0.00 N ATOM 271 C5 DA A 9 -7.302 0.945 -1.970 1.00 0.00 C ATOM 272 C6 DA A 9 -8.413 1.452 -2.643 1.00 0.00 C ATOM 273 N6 DA A 9 -9.069 2.533 -2.226 1.00 0.00 N ATOM 274 N1 DA A 9 -8.827 0.800 -3.749 1.00 0.00 N ATOM 275 C2 DA A 9 -8.182 -0.295 -4.170 1.00 0.00 C ATOM 276 N3 DA A 9 -7.116 -0.857 -3.609 1.00 0.00 N ATOM 277 C4 DA A 9 -6.726 -0.182 -2.505 1.00 0.00 C ATOM 0 H5' DA A 9 -5.907 -3.243 -4.869 1.00 0.00 H new ATOM 0 H5'' DA A 9 -4.511 -2.526 -5.650 1.00 0.00 H new ATOM 0 H4' DA A 9 -3.131 -3.386 -3.692 1.00 0.00 H new ATOM 0 H3' DA A 9 -5.661 -4.537 -2.921 1.00 0.00 H new ATOM 0 H2' DA A 9 -6.469 -2.846 -1.557 1.00 0.00 H new ATOM 0 H2'' DA A 9 -5.138 -3.234 -0.485 1.00 0.00 H new ATOM 0 H1' DA A 9 -3.893 -1.395 -1.163 1.00 0.00 H new ATOM 0 H8 DA A 9 -4.966 0.479 0.057 1.00 0.00 H new ATOM 0 H61 DA A 9 -9.878 2.872 -2.747 1.00 0.00 H new ATOM 0 H62 DA A 9 -8.763 3.022 -1.385 1.00 0.00 H new ATOM 0 H2 DA A 9 -8.568 -0.772 -5.059 1.00 0.00 H new ATOM 289 P DA A 10 -4.261 -6.401 -1.743 1.00 0.00 P ATOM 290 OP1 DA A 10 -4.554 -6.941 -3.088 1.00 0.00 O ATOM 291 OP2 DA A 10 -5.254 -6.550 -0.655 1.00 0.00 O ATOM 292 O5' DA A 10 -2.864 -7.023 -1.240 1.00 0.00 O ATOM 293 C5' DA A 10 -1.685 -6.955 -2.050 1.00 0.00 C ATOM 294 C4' DA A 10 -0.481 -6.415 -1.229 1.00 0.00 C ATOM 295 O4' DA A 10 -0.488 -4.967 -1.162 1.00 0.00 O ATOM 296 C3' DA A 10 -0.479 -6.938 0.220 1.00 0.00 C ATOM 297 O3' DA A 10 0.757 -7.600 0.514 1.00 0.00 O ATOM 298 C2' DA A 10 -0.638 -5.708 1.095 1.00 0.00 C ATOM 299 C1' DA A 10 -0.346 -4.524 0.212 1.00 0.00 C ATOM 300 N9 DA A 10 -1.266 -3.423 0.489 1.00 0.00 N ATOM 301 C8 DA A 10 -2.007 -2.731 -0.380 1.00 0.00 C ATOM 302 N7 DA A 10 -2.768 -1.801 0.080 1.00 0.00 N ATOM 303 C5 DA A 10 -2.497 -1.876 1.445 1.00 0.00 C ATOM 304 C6 DA A 10 -2.974 -1.159 2.537 1.00 0.00 C ATOM 305 N6 DA A 10 -3.866 -0.184 2.414 1.00 0.00 N ATOM 306 N1 DA A 10 -2.500 -1.487 3.751 1.00 0.00 N ATOM 307 C2 DA A 10 -1.604 -2.472 3.877 1.00 0.00 C ATOM 308 N3 DA A 10 -1.086 -3.216 2.906 1.00 0.00 N ATOM 309 C4 DA A 10 -1.579 -2.863 1.705 1.00 0.00 C ATOM 0 H5' DA A 10 -1.865 -6.308 -2.908 1.00 0.00 H new ATOM 0 H5'' DA A 10 -1.450 -7.945 -2.441 1.00 0.00 H new ATOM 0 H4' DA A 10 0.407 -6.771 -1.752 1.00 0.00 H new ATOM 0 H3' DA A 10 -1.276 -7.662 0.387 1.00 0.00 H new ATOM 0 H2' DA A 10 -1.647 -5.649 1.504 1.00 0.00 H new ATOM 0 H2'' DA A 10 0.048 -5.741 1.941 1.00 0.00 H new ATOM 0 H1' DA A 10 0.662 -4.154 0.399 1.00 0.00 H new ATOM 0 H8 DA A 10 -1.969 -2.946 -1.438 1.00 0.00 H new ATOM 0 H61 DA A 10 -4.190 0.318 3.241 1.00 0.00 H new ATOM 0 H62 DA A 10 -4.227 0.064 1.493 1.00 0.00 H new ATOM 0 H2 DA A 10 -1.264 -2.686 4.879 1.00 0.00 H new ATOM 321 P DG A 11 1.224 -8.884 -0.337 1.00 0.00 P ATOM 322 OP1 DG A 11 0.061 -9.785 -0.504 1.00 0.00 O ATOM 323 OP2 DG A 11 2.475 -9.398 0.257 1.00 0.00 O ATOM 324 O5' DG A 11 1.579 -8.241 -1.777 1.00 0.00 O ATOM 325 C5' DG A 11 2.771 -7.464 -1.967 1.00 0.00 C ATOM 326 C4' DG A 11 2.888 -6.938 -3.402 1.00 0.00 C ATOM 327 O4' DG A 11 1.771 -6.077 -3.751 1.00 0.00 O ATOM 328 C3' DG A 11 4.168 -6.123 -3.580 1.00 0.00 C ATOM 329 O3' DG A 11 4.961 -6.663 -4.648 1.00 0.00 O ATOM 330 C2' DG A 11 3.707 -4.724 -3.886 1.00 0.00 C ATOM 331 C1' DG A 11 2.279 -4.865 -4.350 1.00 0.00 C ATOM 332 N9 DG A 11 1.457 -3.694 -3.990 1.00 0.00 N ATOM 333 C8 DG A 11 0.576 -3.027 -4.761 1.00 0.00 C ATOM 334 N7 DG A 11 -0.038 -2.014 -4.247 1.00 0.00 N ATOM 335 C5 DG A 11 0.500 -1.991 -2.956 1.00 0.00 C ATOM 336 C6 DG A 11 0.234 -1.105 -1.881 1.00 0.00 C ATOM 337 O6 DG A 11 -0.540 -0.152 -1.861 1.00 0.00 O ATOM 338 N1 DG A 11 0.984 -1.425 -0.755 1.00 0.00 N ATOM 339 C2 DG A 11 1.884 -2.475 -0.673 1.00 0.00 C ATOM 340 N2 DG A 11 2.504 -2.647 0.493 1.00 0.00 N ATOM 341 N3 DG A 11 2.140 -3.312 -1.683 1.00 0.00 N ATOM 342 C4 DG A 11 1.418 -3.017 -2.788 1.00 0.00 C ATOM 0 H5' DG A 11 3.643 -8.074 -1.732 1.00 0.00 H new ATOM 0 H5'' DG A 11 2.772 -6.625 -1.272 1.00 0.00 H new ATOM 0 H4' DG A 11 2.896 -7.814 -4.050 1.00 0.00 H new ATOM 0 H3' DG A 11 4.800 -6.145 -2.692 1.00 0.00 H new ATOM 0 H2' DG A 11 3.772 -4.087 -3.004 1.00 0.00 H new ATOM 0 H2'' DG A 11 4.327 -4.266 -4.657 1.00 0.00 H new ATOM 0 H1' DG A 11 2.236 -4.919 -5.438 1.00 0.00 H new ATOM 0 H8 DG A 11 0.389 -3.331 -5.780 1.00 0.00 H new ATOM 0 H1 DG A 11 0.862 -0.843 0.073 1.00 0.00 H new ATOM 0 H21 DG A 11 3.176 -3.406 0.606 1.00 0.00 H new ATOM 0 H22 DG A 11 2.306 -2.020 1.273 1.00 0.00 H new ATOM 354 P DG A 12 6.257 -5.881 -5.197 1.00 0.00 P ATOM 355 OP1 DG A 12 6.956 -6.762 -6.162 1.00 0.00 O ATOM 356 OP2 DG A 12 6.980 -5.338 -4.024 1.00 0.00 O ATOM 357 O5' DG A 12 5.593 -4.657 -6.007 1.00 0.00 O ATOM 358 C5' DG A 12 4.726 -4.905 -7.123 1.00 0.00 C ATOM 359 C4' DG A 12 4.238 -3.603 -7.751 1.00 0.00 C ATOM 360 O4' DG A 12 3.311 -2.910 -6.888 1.00 0.00 O ATOM 361 C3' DG A 12 5.408 -2.677 -8.012 1.00 0.00 C ATOM 362 O3' DG A 12 5.639 -2.520 -9.414 1.00 0.00 O ATOM 363 C2' DG A 12 5.046 -1.368 -7.372 1.00 0.00 C ATOM 364 C1' DG A 12 3.602 -1.503 -6.931 1.00 0.00 C ATOM 365 N9 DG A 12 3.371 -0.867 -5.620 1.00 0.00 N ATOM 366 C8 DG A 12 4.052 -1.000 -4.455 1.00 0.00 C ATOM 367 N7 DG A 12 3.658 -0.301 -3.446 1.00 0.00 N ATOM 368 C5 DG A 12 2.576 0.394 -3.989 1.00 0.00 C ATOM 369 C6 DG A 12 1.713 1.336 -3.382 1.00 0.00 C ATOM 370 O6 DG A 12 1.742 1.753 -2.225 1.00 0.00 O ATOM 371 N1 DG A 12 0.752 1.797 -4.273 1.00 0.00 N ATOM 372 C2 DG A 12 0.637 1.399 -5.596 1.00 0.00 C ATOM 373 N2 DG A 12 -0.349 1.956 -6.307 1.00 0.00 N ATOM 374 N3 DG A 12 1.449 0.512 -6.173 1.00 0.00 N ATOM 375 C4 DG A 12 2.391 0.051 -5.319 1.00 0.00 C ATOM 0 H5' DG A 12 3.870 -5.496 -6.796 1.00 0.00 H new ATOM 0 H5'' DG A 12 5.254 -5.496 -7.871 1.00 0.00 H new ATOM 0 H4' DG A 12 3.737 -3.868 -8.682 1.00 0.00 H new ATOM 0 H3' DG A 12 6.332 -3.079 -7.597 1.00 0.00 H new ATOM 0 H2' DG A 12 5.695 -1.157 -6.522 1.00 0.00 H new ATOM 0 H2'' DG A 12 5.164 -0.544 -8.076 1.00 0.00 H new ATOM 0 HO3' DG A 12 6.398 -1.916 -9.555 1.00 0.00 H new ATOM 0 H1' DG A 12 2.940 -0.992 -7.630 1.00 0.00 H new ATOM 0 H8 DG A 12 4.896 -1.669 -4.375 1.00 0.00 H new ATOM 0 H1 DG A 12 0.079 2.481 -3.927 1.00 0.00 H new ATOM 0 H21 DG A 12 -0.480 1.700 -7.286 1.00 0.00 H new ATOM 0 H22 DG A 12 -0.970 2.637 -5.871 1.00 0.00 H new TER 388 DG A 12 ATOM 389 O5' DA B 1 -13.074 -3.139 7.479 1.00 0.00 O ATOM 390 C5' DA B 1 -12.105 -2.139 7.156 1.00 0.00 C ATOM 391 C4' DA B 1 -10.756 -2.435 7.833 1.00 0.00 C ATOM 392 O4' DA B 1 -10.227 -3.707 7.381 1.00 0.00 O ATOM 393 C3' DA B 1 -9.709 -1.356 7.535 1.00 0.00 C ATOM 394 O3' DA B 1 -9.295 -0.705 8.748 1.00 0.00 O ATOM 395 C2' DA B 1 -8.546 -2.077 6.891 1.00 0.00 C ATOM 396 C1' DA B 1 -8.846 -3.559 6.979 1.00 0.00 C ATOM 397 N9 DA B 1 -8.586 -4.187 5.681 1.00 0.00 N ATOM 398 C8 DA B 1 -7.504 -4.880 5.298 1.00 0.00 C ATOM 399 N7 DA B 1 -7.439 -5.265 4.067 1.00 0.00 N ATOM 400 C5 DA B 1 -8.640 -4.763 3.554 1.00 0.00 C ATOM 401 C6 DA B 1 -9.225 -4.806 2.281 1.00 0.00 C ATOM 402 N6 DA B 1 -8.641 -5.380 1.223 1.00 0.00 N ATOM 403 N1 DA B 1 -10.421 -4.210 2.132 1.00 0.00 N ATOM 404 C2 DA B 1 -11.008 -3.604 3.168 1.00 0.00 C ATOM 405 N3 DA B 1 -10.545 -3.500 4.409 1.00 0.00 N ATOM 406 C4 DA B 1 -9.348 -4.106 4.536 1.00 0.00 C ATOM 0 H5' DA B 1 -12.468 -1.161 7.473 1.00 0.00 H new ATOM 0 H5'' DA B 1 -11.971 -2.094 6.075 1.00 0.00 H new ATOM 0 H4' DA B 1 -10.950 -2.457 8.905 1.00 0.00 H new ATOM 0 H3' DA B 1 -10.108 -0.580 6.882 1.00 0.00 H new ATOM 0 H2' DA B 1 -8.427 -1.768 5.853 1.00 0.00 H new ATOM 0 H2'' DA B 1 -7.613 -1.840 7.403 1.00 0.00 H new ATOM 0 HO5' DA B 1 -13.923 -2.927 7.038 1.00 0.00 H new ATOM 0 H1' DA B 1 -8.208 -4.052 7.712 1.00 0.00 H new ATOM 0 H8 DA B 1 -6.713 -5.109 5.996 1.00 0.00 H new ATOM 0 H61 DA B 1 -9.113 -5.382 0.319 1.00 0.00 H new ATOM 0 H62 DA B 1 -7.724 -5.815 1.321 1.00 0.00 H new ATOM 0 H2 DA B 1 -11.967 -3.147 2.975 1.00 0.00 H new ATOM 419 P DA B 2 -8.053 0.329 8.751 1.00 0.00 P ATOM 420 OP1 DA B 2 -7.975 0.963 10.085 1.00 0.00 O ATOM 421 OP2 DA B 2 -8.148 1.179 7.546 1.00 0.00 O ATOM 422 O5' DA B 2 -6.786 -0.638 8.573 1.00 0.00 O ATOM 423 C5' DA B 2 -6.340 -1.503 9.624 1.00 0.00 C ATOM 424 C4' DA B 2 -5.023 -2.162 9.228 1.00 0.00 C ATOM 425 O4' DA B 2 -5.209 -2.989 8.056 1.00 0.00 O ATOM 426 C3' DA B 2 -3.940 -1.122 8.900 1.00 0.00 C ATOM 427 O3' DA B 2 -2.830 -1.249 9.796 1.00 0.00 O ATOM 428 C2' DA B 2 -3.521 -1.404 7.481 1.00 0.00 C ATOM 429 C1' DA B 2 -4.181 -2.710 7.084 1.00 0.00 C ATOM 430 N9 DA B 2 -4.744 -2.646 5.718 1.00 0.00 N ATOM 431 C8 DA B 2 -5.536 -1.708 5.135 1.00 0.00 C ATOM 432 N7 DA B 2 -5.929 -1.928 3.927 1.00 0.00 N ATOM 433 C5 DA B 2 -5.326 -3.162 3.655 1.00 0.00 C ATOM 434 C6 DA B 2 -5.328 -3.994 2.528 1.00 0.00 C ATOM 435 N6 DA B 2 -6.018 -3.719 1.423 1.00 0.00 N ATOM 436 N1 DA B 2 -4.621 -5.139 2.600 1.00 0.00 N ATOM 437 C2 DA B 2 -3.956 -5.452 3.714 1.00 0.00 C ATOM 438 N3 DA B 2 -3.891 -4.742 4.835 1.00 0.00 N ATOM 439 C4 DA B 2 -4.603 -3.602 4.739 1.00 0.00 C ATOM 0 H5' DA B 2 -7.093 -2.265 9.824 1.00 0.00 H new ATOM 0 H5'' DA B 2 -6.210 -0.934 10.545 1.00 0.00 H new ATOM 0 H4' DA B 2 -4.702 -2.761 10.080 1.00 0.00 H new ATOM 0 H3' DA B 2 -4.313 -0.104 9.010 1.00 0.00 H new ATOM 0 H2' DA B 2 -3.831 -0.596 6.818 1.00 0.00 H new ATOM 0 H2'' DA B 2 -2.436 -1.480 7.405 1.00 0.00 H new ATOM 0 H1' DA B 2 -3.441 -3.510 7.070 1.00 0.00 H new ATOM 0 H8 DA B 2 -5.825 -0.812 5.664 1.00 0.00 H new ATOM 0 H61 DA B 2 -5.986 -4.359 0.629 1.00 0.00 H new ATOM 0 H62 DA B 2 -6.579 -2.869 1.370 1.00 0.00 H new ATOM 0 H2 DA B 2 -3.411 -6.384 3.703 1.00 0.00 H new ATOM 451 P DG B 3 -2.016 0.049 10.297 1.00 0.00 P ATOM 452 OP1 DG B 3 -2.086 0.096 11.773 1.00 0.00 O ATOM 453 OP2 DG B 3 -2.451 1.218 9.497 1.00 0.00 O ATOM 454 O5' DG B 3 -0.504 -0.315 9.880 1.00 0.00 O ATOM 455 C5' DG B 3 -0.239 -0.992 8.650 1.00 0.00 C ATOM 456 C4' DG B 3 1.228 -1.361 8.504 1.00 0.00 C ATOM 457 O4' DG B 3 1.469 -1.987 7.219 1.00 0.00 O ATOM 458 C3' DG B 3 2.090 -0.117 8.593 1.00 0.00 C ATOM 459 O3' DG B 3 3.223 -0.351 9.443 1.00 0.00 O ATOM 460 C2' DG B 3 2.512 0.149 7.171 1.00 0.00 C ATOM 461 C1' DG B 3 2.380 -1.180 6.449 1.00 0.00 C ATOM 462 N9 DG B 3 1.905 -1.008 5.066 1.00 0.00 N ATOM 463 C8 DG B 3 2.378 -1.577 3.936 1.00 0.00 C ATOM 464 N7 DG B 3 1.832 -1.239 2.818 1.00 0.00 N ATOM 465 C5 DG B 3 0.862 -0.328 3.244 1.00 0.00 C ATOM 466 C6 DG B 3 -0.078 0.405 2.486 1.00 0.00 C ATOM 467 O6 DG B 3 -0.242 0.392 1.268 1.00 0.00 O ATOM 468 N1 DG B 3 -0.872 1.209 3.292 1.00 0.00 N ATOM 469 C2 DG B 3 -0.774 1.299 4.669 1.00 0.00 C ATOM 470 N2 DG B 3 -1.625 2.130 5.279 1.00 0.00 N ATOM 471 N3 DG B 3 0.114 0.608 5.392 1.00 0.00 N ATOM 472 C4 DG B 3 0.898 -0.181 4.622 1.00 0.00 C ATOM 0 H5' DG B 3 -0.537 -0.357 7.816 1.00 0.00 H new ATOM 0 H5'' DG B 3 -0.847 -1.895 8.596 1.00 0.00 H new ATOM 0 H4' DG B 3 1.481 -2.054 9.307 1.00 0.00 H new ATOM 0 H3' DG B 3 1.562 0.733 9.025 1.00 0.00 H new ATOM 0 H2' DG B 3 1.881 0.909 6.711 1.00 0.00 H new ATOM 0 H2'' DG B 3 3.537 0.518 7.129 1.00 0.00 H new ATOM 0 H1' DG B 3 3.353 -1.664 6.369 1.00 0.00 H new ATOM 0 H8 DG B 3 3.187 -2.292 3.968 1.00 0.00 H new ATOM 0 H1 DG B 3 -1.583 1.778 2.833 1.00 0.00 H new ATOM 0 H21 DG B 3 -1.597 2.235 6.293 1.00 0.00 H new ATOM 0 H22 DG B 3 -2.303 2.659 4.730 1.00 0.00 H new ATOM 484 P DG B 4 4.436 0.707 9.526 1.00 0.00 P ATOM 485 OP1 DG B 4 5.270 0.364 10.701 1.00 0.00 O ATOM 486 OP2 DG B 4 3.877 2.071 9.389 1.00 0.00 O ATOM 487 O5' DG B 4 5.271 0.365 8.198 1.00 0.00 O ATOM 488 C5' DG B 4 5.835 -0.935 8.009 1.00 0.00 C ATOM 489 C4' DG B 4 6.336 -1.112 6.585 1.00 0.00 C ATOM 490 O4' DG B 4 5.285 -0.891 5.627 1.00 0.00 O ATOM 491 C3' DG B 4 7.440 -0.118 6.286 1.00 0.00 C ATOM 492 O3' DG B 4 8.728 -0.739 6.338 1.00 0.00 O ATOM 493 C2' DG B 4 7.138 0.399 4.901 1.00 0.00 C ATOM 494 C1' DG B 4 5.858 -0.281 4.459 1.00 0.00 C ATOM 495 N9 DG B 4 4.933 0.694 3.850 1.00 0.00 N ATOM 496 C8 DG B 4 4.354 1.783 4.402 1.00 0.00 C ATOM 497 N7 DG B 4 3.572 2.496 3.656 1.00 0.00 N ATOM 498 C5 DG B 4 3.633 1.797 2.445 1.00 0.00 C ATOM 499 C6 DG B 4 2.993 2.065 1.206 1.00 0.00 C ATOM 500 O6 DG B 4 2.221 2.977 0.934 1.00 0.00 O ATOM 501 N1 DG B 4 3.324 1.122 0.243 1.00 0.00 N ATOM 502 C2 DG B 4 4.170 0.049 0.446 1.00 0.00 C ATOM 503 N2 DG B 4 4.381 -0.753 -0.596 1.00 0.00 N ATOM 504 N3 DG B 4 4.775 -0.210 1.608 1.00 0.00 N ATOM 505 C4 DG B 4 4.466 0.695 2.559 1.00 0.00 C ATOM 0 H5' DG B 4 5.087 -1.695 8.232 1.00 0.00 H new ATOM 0 H5'' DG B 4 6.658 -1.083 8.708 1.00 0.00 H new ATOM 0 H4' DG B 4 6.702 -2.135 6.503 1.00 0.00 H new ATOM 0 H3' DG B 4 7.471 0.686 7.022 1.00 0.00 H new ATOM 0 H2' DG B 4 7.019 1.482 4.908 1.00 0.00 H new ATOM 0 H2'' DG B 4 7.955 0.172 4.215 1.00 0.00 H new ATOM 0 H1' DG B 4 6.057 -1.035 3.697 1.00 0.00 H new ATOM 0 H8 DG B 4 4.538 2.050 5.432 1.00 0.00 H new ATOM 0 H1 DG B 4 2.912 1.229 -0.684 1.00 0.00 H new ATOM 0 H21 DG B 4 4.997 -1.560 -0.502 1.00 0.00 H new ATOM 0 H22 DG B 4 3.927 -0.560 -1.488 1.00 0.00 H new ATOM 517 P DT B 5 10.060 0.130 6.078 1.00 0.00 P ATOM 518 OP1 DT B 5 11.216 -0.634 6.597 1.00 0.00 O ATOM 519 OP2 DT B 5 9.817 1.509 6.554 1.00 0.00 O ATOM 520 O5' DT B 5 10.153 0.154 4.473 1.00 0.00 O ATOM 521 C5' DT B 5 10.415 -1.062 3.762 1.00 0.00 C ATOM 522 C4' DT B 5 10.244 -0.902 2.259 1.00 0.00 C ATOM 523 O4' DT B 5 8.928 -0.397 1.935 1.00 0.00 O ATOM 524 C3' DT B 5 11.274 0.064 1.685 1.00 0.00 C ATOM 525 O3' DT B 5 12.128 -0.591 0.749 1.00 0.00 O ATOM 526 C2' DT B 5 10.467 1.124 0.975 1.00 0.00 C ATOM 527 C1' DT B 5 9.053 0.564 0.876 1.00 0.00 C ATOM 528 N1 DT B 5 8.050 1.638 0.990 1.00 0.00 N ATOM 529 C2 DT B 5 7.166 1.796 -0.062 1.00 0.00 C ATOM 530 O2 DT B 5 7.205 1.085 -1.065 1.00 0.00 O ATOM 531 N3 DT B 5 6.244 2.815 0.075 1.00 0.00 N ATOM 532 C4 DT B 5 6.136 3.675 1.162 1.00 0.00 C ATOM 533 O4 DT B 5 5.287 4.556 1.191 1.00 0.00 O ATOM 534 C5 DT B 5 7.099 3.430 2.204 1.00 0.00 C ATOM 535 C7 DT B 5 7.084 4.298 3.459 1.00 0.00 C ATOM 536 C6 DT B 5 8.007 2.447 2.092 1.00 0.00 C ATOM 0 H5' DT B 5 9.743 -1.842 4.121 1.00 0.00 H new ATOM 0 H5'' DT B 5 11.431 -1.394 3.976 1.00 0.00 H new ATOM 0 H4' DT B 5 10.381 -1.891 1.822 1.00 0.00 H new ATOM 0 H3' DT B 5 11.913 0.472 2.468 1.00 0.00 H new ATOM 0 H2' DT B 5 10.479 2.063 1.529 1.00 0.00 H new ATOM 0 H2'' DT B 5 10.876 1.332 -0.014 1.00 0.00 H new ATOM 0 H1' DT B 5 8.877 0.095 -0.092 1.00 0.00 H new ATOM 0 H3 DT B 5 5.583 2.949 -0.690 1.00 0.00 H new ATOM 0 H71 DT B 5 6.717 5.293 3.209 1.00 0.00 H new ATOM 0 H72 DT B 5 6.430 3.847 4.205 1.00 0.00 H new ATOM 0 H73 DT B 5 8.094 4.374 3.861 1.00 0.00 H new ATOM 0 H6 DT B 5 8.719 2.292 2.889 1.00 0.00 H new ATOM 549 P DT B 6 13.395 -1.450 1.231 1.00 0.00 P ATOM 550 OP1 DT B 6 12.962 -2.348 2.326 1.00 0.00 O ATOM 551 OP2 DT B 6 14.535 -0.529 1.428 1.00 0.00 O ATOM 552 O5' DT B 6 13.681 -2.344 -0.073 1.00 0.00 O ATOM 553 C5' DT B 6 14.452 -1.833 -1.168 1.00 0.00 C ATOM 554 C4' DT B 6 13.583 -1.565 -2.415 1.00 0.00 C ATOM 555 O4' DT B 6 12.666 -2.669 -2.645 1.00 0.00 O ATOM 556 C3' DT B 6 12.743 -0.288 -2.285 1.00 0.00 C ATOM 557 O3' DT B 6 12.915 0.523 -3.458 1.00 0.00 O ATOM 558 C2' DT B 6 11.310 -0.759 -2.174 1.00 0.00 C ATOM 559 C1' DT B 6 11.309 -2.180 -2.737 1.00 0.00 C ATOM 560 N1 DT B 6 10.374 -3.074 -2.015 1.00 0.00 N ATOM 561 C2 DT B 6 9.347 -3.625 -2.763 1.00 0.00 C ATOM 562 O2 DT B 6 9.175 -3.342 -3.948 1.00 0.00 O ATOM 563 N3 DT B 6 8.518 -4.507 -2.103 1.00 0.00 N ATOM 564 C4 DT B 6 8.618 -4.885 -0.777 1.00 0.00 C ATOM 565 O4 DT B 6 7.817 -5.682 -0.292 1.00 0.00 O ATOM 566 C5 DT B 6 9.716 -4.259 -0.069 1.00 0.00 C ATOM 567 C7 DT B 6 9.949 -4.599 1.400 1.00 0.00 C ATOM 568 C6 DT B 6 10.543 -3.391 -0.689 1.00 0.00 C ATOM 0 H5' DT B 6 15.238 -2.545 -1.421 1.00 0.00 H new ATOM 0 H5'' DT B 6 14.944 -0.909 -0.864 1.00 0.00 H new ATOM 0 H4' DT B 6 14.279 -1.451 -3.246 1.00 0.00 H new ATOM 0 H3' DT B 6 13.034 0.314 -1.424 1.00 0.00 H new ATOM 0 H2' DT B 6 10.971 -0.746 -1.138 1.00 0.00 H new ATOM 0 H2'' DT B 6 10.638 -0.112 -2.738 1.00 0.00 H new ATOM 0 H1' DT B 6 10.962 -2.166 -3.770 1.00 0.00 H new ATOM 0 H3 DT B 6 7.759 -4.920 -2.645 1.00 0.00 H new ATOM 0 H71 DT B 6 11.011 -4.514 1.629 1.00 0.00 H new ATOM 0 H72 DT B 6 9.386 -3.908 2.027 1.00 0.00 H new ATOM 0 H73 DT B 6 9.617 -5.619 1.595 1.00 0.00 H new ATOM 0 H6 DT B 6 11.351 -2.938 -0.133 1.00 0.00 H new ATOM 581 P DT B 7 12.803 2.128 -3.404 1.00 0.00 P ATOM 582 OP1 DT B 7 13.632 2.679 -4.497 1.00 0.00 O ATOM 583 OP2 DT B 7 13.032 2.570 -2.011 1.00 0.00 O ATOM 584 O5' DT B 7 11.254 2.388 -3.758 1.00 0.00 O ATOM 585 C5' DT B 7 10.721 2.064 -5.049 1.00 0.00 C ATOM 586 C4' DT B 7 9.371 2.744 -5.269 1.00 0.00 C ATOM 587 O4' DT B 7 8.618 2.842 -4.031 1.00 0.00 O ATOM 588 C3' DT B 7 9.581 4.149 -5.792 1.00 0.00 C ATOM 589 O3' DT B 7 8.914 4.293 -7.038 1.00 0.00 O ATOM 590 C2' DT B 7 9.003 5.072 -4.742 1.00 0.00 C ATOM 591 C1' DT B 7 8.175 4.202 -3.821 1.00 0.00 C ATOM 592 N1 DT B 7 8.377 4.610 -2.419 1.00 0.00 N ATOM 593 C2 DT B 7 7.362 5.325 -1.803 1.00 0.00 C ATOM 594 O2 DT B 7 6.310 5.607 -2.373 1.00 0.00 O ATOM 595 N3 DT B 7 7.604 5.723 -0.509 1.00 0.00 N ATOM 596 C4 DT B 7 8.753 5.475 0.218 1.00 0.00 C ATOM 597 O4 DT B 7 8.857 5.873 1.371 1.00 0.00 O ATOM 598 C5 DT B 7 9.761 4.725 -0.500 1.00 0.00 C ATOM 599 C7 DT B 7 11.098 4.428 0.183 1.00 0.00 C ATOM 600 C6 DT B 7 9.547 4.319 -1.771 1.00 0.00 C ATOM 0 H5' DT B 7 10.607 0.984 -5.139 1.00 0.00 H new ATOM 0 H5'' DT B 7 11.421 2.377 -5.824 1.00 0.00 H new ATOM 0 H4' DT B 7 8.816 2.138 -5.985 1.00 0.00 H new ATOM 0 H3' DT B 7 10.632 4.379 -5.965 1.00 0.00 H new ATOM 0 H2' DT B 7 9.795 5.578 -4.191 1.00 0.00 H new ATOM 0 H2'' DT B 7 8.389 5.847 -5.201 1.00 0.00 H new ATOM 0 H1' DT B 7 7.110 4.298 -4.033 1.00 0.00 H new ATOM 0 H3 DT B 7 6.866 6.251 -0.042 1.00 0.00 H new ATOM 0 H71 DT B 7 11.499 3.488 -0.195 1.00 0.00 H new ATOM 0 H72 DT B 7 11.801 5.233 -0.028 1.00 0.00 H new ATOM 0 H73 DT B 7 10.947 4.351 1.260 1.00 0.00 H new ATOM 0 H6 DT B 7 10.312 3.755 -2.284 1.00 0.00 H new ATOM 613 P DT B 8 9.154 5.580 -7.957 1.00 0.00 P ATOM 614 OP1 DT B 8 9.963 5.180 -9.127 1.00 0.00 O ATOM 615 OP2 DT B 8 9.587 6.704 -7.097 1.00 0.00 O ATOM 616 O5' DT B 8 7.673 5.897 -8.462 1.00 0.00 O ATOM 617 C5' DT B 8 6.746 6.538 -7.592 1.00 0.00 C ATOM 618 C4' DT B 8 5.824 7.446 -8.378 1.00 0.00 C ATOM 619 O4' DT B 8 6.597 8.380 -9.171 1.00 0.00 O ATOM 620 C3' DT B 8 4.963 6.626 -9.321 1.00 0.00 C ATOM 621 O3' DT B 8 3.595 6.992 -9.185 1.00 0.00 O ATOM 622 C2' DT B 8 5.463 6.948 -10.709 1.00 0.00 C ATOM 623 C1' DT B 8 6.266 8.233 -10.567 1.00 0.00 C ATOM 624 N1 DT B 8 7.482 8.209 -11.417 1.00 0.00 N ATOM 625 C2 DT B 8 7.589 9.189 -12.389 1.00 0.00 C ATOM 626 O2 DT B 8 6.727 10.053 -12.548 1.00 0.00 O ATOM 627 N3 DT B 8 8.721 9.144 -13.176 1.00 0.00 N ATOM 628 C4 DT B 8 9.745 8.222 -13.082 1.00 0.00 C ATOM 629 O4 DT B 8 10.710 8.279 -13.840 1.00 0.00 O ATOM 630 C5 DT B 8 9.554 7.237 -12.041 1.00 0.00 C ATOM 631 C7 DT B 8 10.612 6.156 -11.827 1.00 0.00 C ATOM 632 C6 DT B 8 8.458 7.255 -11.257 1.00 0.00 C ATOM 0 H5' DT B 8 7.283 7.117 -6.841 1.00 0.00 H new ATOM 0 H5'' DT B 8 6.161 5.789 -7.058 1.00 0.00 H new ATOM 0 H4' DT B 8 5.196 7.986 -7.669 1.00 0.00 H new ATOM 0 H3' DT B 8 5.030 5.559 -9.108 1.00 0.00 H new ATOM 0 H2' DT B 8 6.082 6.140 -11.100 1.00 0.00 H new ATOM 0 H2'' DT B 8 4.633 7.079 -11.404 1.00 0.00 H new ATOM 0 H1' DT B 8 5.679 9.087 -10.907 1.00 0.00 H new ATOM 0 H3 DT B 8 8.810 9.860 -13.897 1.00 0.00 H new ATOM 0 H71 DT B 8 11.103 5.934 -12.775 1.00 0.00 H new ATOM 0 H72 DT B 8 11.352 6.509 -11.109 1.00 0.00 H new ATOM 0 H73 DT B 8 10.137 5.253 -11.444 1.00 0.00 H new ATOM 0 H6 DT B 8 8.345 6.505 -10.488 1.00 0.00 H new ATOM 645 P DA B 9 2.471 6.263 -10.063 1.00 0.00 P ATOM 646 OP1 DA B 9 3.118 5.198 -10.864 1.00 0.00 O ATOM 647 OP2 DA B 9 1.660 7.299 -10.736 1.00 0.00 O ATOM 648 O5' DA B 9 1.554 5.562 -8.949 1.00 0.00 O ATOM 649 C5' DA B 9 2.115 4.674 -7.982 1.00 0.00 C ATOM 650 C4' DA B 9 1.848 5.172 -6.561 1.00 0.00 C ATOM 651 O4' DA B 9 2.112 4.137 -5.582 1.00 0.00 O ATOM 652 C3' DA B 9 2.728 6.379 -6.221 1.00 0.00 C ATOM 653 O3' DA B 9 1.918 7.526 -5.902 1.00 0.00 O ATOM 654 C2' DA B 9 3.552 5.954 -5.026 1.00 0.00 C ATOM 655 C1' DA B 9 2.915 4.672 -4.511 1.00 0.00 C ATOM 656 N9 DA B 9 3.936 3.715 -4.092 1.00 0.00 N ATOM 657 C8 DA B 9 4.264 3.332 -2.843 1.00 0.00 C ATOM 658 N7 DA B 9 5.197 2.454 -2.710 1.00 0.00 N ATOM 659 C5 DA B 9 5.539 2.216 -4.051 1.00 0.00 C ATOM 660 C6 DA B 9 6.476 1.378 -4.653 1.00 0.00 C ATOM 661 N6 DA B 9 7.285 0.587 -3.951 1.00 0.00 N ATOM 662 N1 DA B 9 6.555 1.393 -6.001 1.00 0.00 N ATOM 663 C2 DA B 9 5.755 2.192 -6.715 1.00 0.00 C ATOM 664 N3 DA B 9 4.830 3.022 -6.245 1.00 0.00 N ATOM 665 C4 DA B 9 4.774 2.984 -4.896 1.00 0.00 C ATOM 0 H5' DA B 9 3.189 4.585 -8.144 1.00 0.00 H new ATOM 0 H5'' DA B 9 1.690 3.678 -8.108 1.00 0.00 H new ATOM 0 H4' DA B 9 0.796 5.457 -6.525 1.00 0.00 H new ATOM 0 H3' DA B 9 3.358 6.669 -7.062 1.00 0.00 H new ATOM 0 H2' DA B 9 4.591 5.787 -5.308 1.00 0.00 H new ATOM 0 H2'' DA B 9 3.551 6.726 -4.257 1.00 0.00 H new ATOM 0 H1' DA B 9 2.298 4.874 -3.636 1.00 0.00 H new ATOM 0 H8 DA B 9 3.762 3.747 -1.982 1.00 0.00 H new ATOM 0 H61 DA B 9 7.957 -0.011 -4.432 1.00 0.00 H new ATOM 0 H62 DA B 9 7.233 0.579 -2.932 1.00 0.00 H new ATOM 0 H2 DA B 9 5.873 2.159 -7.788 1.00 0.00 H new ATOM 677 P DA B 10 2.180 8.956 -6.610 1.00 0.00 P ATOM 678 OP1 DA B 10 2.091 8.766 -8.075 1.00 0.00 O ATOM 679 OP2 DA B 10 3.403 9.542 -6.016 1.00 0.00 O ATOM 680 O5' DA B 10 0.917 9.832 -6.134 1.00 0.00 O ATOM 681 C5' DA B 10 -0.421 9.463 -6.488 1.00 0.00 C ATOM 682 C4' DA B 10 -1.342 9.462 -5.237 1.00 0.00 C ATOM 683 O4' DA B 10 -1.224 8.224 -4.489 1.00 0.00 O ATOM 684 C3' DA B 10 -1.014 10.612 -4.267 1.00 0.00 C ATOM 685 O3' DA B 10 -2.176 11.413 -4.026 1.00 0.00 O ATOM 686 C2' DA B 10 -0.561 9.944 -2.981 1.00 0.00 C ATOM 687 C1' DA B 10 -0.988 8.504 -3.084 1.00 0.00 C ATOM 688 N9 DA B 10 0.042 7.611 -2.556 1.00 0.00 N ATOM 689 C8 DA B 10 0.585 6.542 -3.142 1.00 0.00 C ATOM 690 N7 DA B 10 1.495 5.898 -2.502 1.00 0.00 N ATOM 691 C5 DA B 10 1.572 6.634 -1.320 1.00 0.00 C ATOM 692 C6 DA B 10 2.354 6.498 -0.178 1.00 0.00 C ATOM 693 N6 DA B 10 3.248 5.527 -0.039 1.00 0.00 N ATOM 694 N1 DA B 10 2.179 7.396 0.806 1.00 0.00 N ATOM 695 C2 DA B 10 1.281 8.378 0.665 1.00 0.00 C ATOM 696 N3 DA B 10 0.489 8.598 -0.378 1.00 0.00 N ATOM 697 C4 DA B 10 0.687 7.682 -1.343 1.00 0.00 C ATOM 0 H5' DA B 10 -0.421 8.474 -6.946 1.00 0.00 H new ATOM 0 H5'' DA B 10 -0.810 10.159 -7.231 1.00 0.00 H new ATOM 0 H4' DA B 10 -2.354 9.582 -5.625 1.00 0.00 H new ATOM 0 H3' DA B 10 -0.249 11.273 -4.673 1.00 0.00 H new ATOM 0 H2' DA B 10 0.520 10.022 -2.861 1.00 0.00 H new ATOM 0 H2'' DA B 10 -1.013 10.423 -2.113 1.00 0.00 H new ATOM 0 H1' DA B 10 -1.890 8.337 -2.496 1.00 0.00 H new ATOM 0 H8 DA B 10 0.269 6.227 -4.126 1.00 0.00 H new ATOM 0 H61 DA B 10 3.802 5.462 0.815 1.00 0.00 H new ATOM 0 H62 DA B 10 3.381 4.846 -0.786 1.00 0.00 H new ATOM 0 H2 DA B 10 1.190 9.068 1.491 1.00 0.00 H new ATOM 709 P DG B 11 -2.926 12.161 -5.239 1.00 0.00 P ATOM 710 OP1 DG B 11 -1.902 12.795 -6.102 1.00 0.00 O ATOM 711 OP2 DG B 11 -4.019 12.977 -4.670 1.00 0.00 O ATOM 712 O5' DG B 11 -3.588 10.932 -6.054 1.00 0.00 O ATOM 713 C5' DG B 11 -4.735 10.240 -5.542 1.00 0.00 C ATOM 714 C4' DG B 11 -5.175 9.100 -6.468 1.00 0.00 C ATOM 715 O4' DG B 11 -4.128 8.106 -6.631 1.00 0.00 O ATOM 716 C3' DG B 11 -6.403 8.385 -5.908 1.00 0.00 C ATOM 717 O3' DG B 11 -7.472 8.399 -6.866 1.00 0.00 O ATOM 718 C2' DG B 11 -5.944 6.983 -5.611 1.00 0.00 C ATOM 719 C1' DG B 11 -4.689 6.791 -6.428 1.00 0.00 C ATOM 720 N9 DG B 11 -3.730 5.884 -5.771 1.00 0.00 N ATOM 721 C8 DG B 11 -3.030 4.874 -6.322 1.00 0.00 C ATOM 722 N7 DG B 11 -2.242 4.192 -5.559 1.00 0.00 N ATOM 723 C5 DG B 11 -2.435 4.825 -4.326 1.00 0.00 C ATOM 724 C6 DG B 11 -1.851 4.547 -3.065 1.00 0.00 C ATOM 725 O6 DG B 11 -1.036 3.670 -2.786 1.00 0.00 O ATOM 726 N1 DG B 11 -2.313 5.415 -2.082 1.00 0.00 N ATOM 727 C2 DG B 11 -3.231 6.432 -2.290 1.00 0.00 C ATOM 728 N2 DG B 11 -3.547 7.180 -1.235 1.00 0.00 N ATOM 729 N3 DG B 11 -3.785 6.699 -3.475 1.00 0.00 N ATOM 730 C4 DG B 11 -3.348 5.865 -4.446 1.00 0.00 C ATOM 0 H5' DG B 11 -5.558 10.944 -5.417 1.00 0.00 H new ATOM 0 H5'' DG B 11 -4.506 9.838 -4.555 1.00 0.00 H new ATOM 0 H4' DG B 11 -5.403 9.558 -7.430 1.00 0.00 H new ATOM 0 H3' DG B 11 -6.793 8.870 -5.013 1.00 0.00 H new ATOM 0 H2' DG B 11 -5.744 6.852 -4.547 1.00 0.00 H new ATOM 0 H2'' DG B 11 -6.706 6.254 -5.885 1.00 0.00 H new ATOM 0 H1' DG B 11 -4.923 6.315 -7.380 1.00 0.00 H new ATOM 0 H8 DG B 11 -3.125 4.641 -7.372 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.949 5.294 -1.137 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.218 7.942 -1.333 1.00 0.00 H new ATOM 0 H22 DG B 11 -3.118 6.991 -0.329 1.00 0.00 H new ATOM 742 P DG B 12 -8.811 7.536 -6.627 1.00 0.00 P ATOM 743 OP1 DG B 12 -9.786 7.892 -7.686 1.00 0.00 O ATOM 744 OP2 DG B 12 -9.180 7.669 -5.200 1.00 0.00 O ATOM 745 O5' DG B 12 -8.293 6.032 -6.891 1.00 0.00 O ATOM 746 C5' DG B 12 -7.753 5.659 -8.166 1.00 0.00 C ATOM 747 C4' DG B 12 -7.353 4.187 -8.194 1.00 0.00 C ATOM 748 O4' DG B 12 -6.197 3.932 -7.370 1.00 0.00 O ATOM 749 C3' DG B 12 -8.489 3.328 -7.678 1.00 0.00 C ATOM 750 O3' DG B 12 -9.054 2.535 -8.724 1.00 0.00 O ATOM 751 C2' DG B 12 -7.894 2.464 -6.604 1.00 0.00 C ATOM 752 C1' DG B 12 -6.397 2.699 -6.659 1.00 0.00 C ATOM 753 N9 DG B 12 -5.803 2.753 -5.309 1.00 0.00 N ATOM 754 C8 DG B 12 -6.178 3.473 -4.222 1.00 0.00 C ATOM 755 N7 DG B 12 -5.497 3.316 -3.137 1.00 0.00 N ATOM 756 C5 DG B 12 -4.544 2.379 -3.534 1.00 0.00 C ATOM 757 C6 DG B 12 -3.496 1.787 -2.789 1.00 0.00 C ATOM 758 O6 DG B 12 -3.208 1.976 -1.609 1.00 0.00 O ATOM 759 N1 DG B 12 -2.762 0.894 -3.559 1.00 0.00 N ATOM 760 C2 DG B 12 -3.009 0.602 -4.891 1.00 0.00 C ATOM 761 N2 DG B 12 -2.199 -0.290 -5.471 1.00 0.00 N ATOM 762 N3 DG B 12 -3.996 1.156 -5.599 1.00 0.00 N ATOM 763 C4 DG B 12 -4.722 2.030 -4.863 1.00 0.00 C ATOM 0 H5' DG B 12 -6.884 6.278 -8.389 1.00 0.00 H new ATOM 0 H5'' DG B 12 -8.490 5.852 -8.945 1.00 0.00 H new ATOM 0 H4' DG B 12 -7.119 3.941 -9.230 1.00 0.00 H new ATOM 0 H3' DG B 12 -9.304 3.939 -7.290 1.00 0.00 H new ATOM 0 H2' DG B 12 -8.294 2.727 -5.625 1.00 0.00 H new ATOM 0 H2'' DG B 12 -8.130 1.413 -6.773 1.00 0.00 H new ATOM 0 HO3' DG B 12 -9.784 1.989 -8.363 1.00 0.00 H new ATOM 0 H1' DG B 12 -5.900 1.874 -7.168 1.00 0.00 H new ATOM 0 H8 DG B 12 -7.016 4.153 -4.263 1.00 0.00 H new ATOM 0 H1 DG B 12 -1.981 0.416 -3.109 1.00 0.00 H new ATOM 0 H21 DG B 12 -2.336 -0.542 -6.450 1.00 0.00 H new ATOM 0 H22 DG B 12 -1.445 -0.718 -4.934 1.00 0.00 H new TER 776 DG B 12