USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 286 hydrogens (14 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 DC O5' : rot 30:sc= 0.331 USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.163 (180deg=-0.163) USER MOD Single : A 5 DT C7 :methyl -30:sc= -0.153 (180deg=-0.157) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl -30:sc= -0.626 (180deg=-1.09) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot -13:sc= 0.542 USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -10.009 -20.181 1.412 1.00 2.17 O ATOM 2 C5' DC A 1 -9.621 -20.022 2.780 1.00 2.13 C ATOM 3 C4' DC A 1 -8.126 -19.833 2.900 1.00 1.90 C ATOM 4 O4' DC A 1 -7.475 -20.531 1.821 1.00 1.85 O ATOM 5 C3' DC A 1 -7.646 -18.388 2.788 1.00 1.72 C ATOM 6 O3' DC A 1 -7.486 -17.822 4.093 1.00 1.68 O ATOM 7 C2' DC A 1 -6.298 -18.499 2.085 1.00 1.51 C ATOM 8 C1' DC A 1 -6.208 -19.944 1.600 1.00 1.62 C ATOM 9 N1 DC A 1 -5.886 -20.092 0.170 1.00 1.54 N ATOM 10 C2 DC A 1 -4.636 -20.602 -0.192 1.00 1.42 C ATOM 11 O2 DC A 1 -3.828 -20.903 0.699 1.00 1.39 O ATOM 12 N3 DC A 1 -4.337 -20.752 -1.503 1.00 1.35 N ATOM 13 C4 DC A 1 -5.232 -20.409 -2.434 1.00 1.41 C ATOM 14 N4 DC A 1 -4.895 -20.576 -3.714 1.00 1.34 N ATOM 15 C5 DC A 1 -6.510 -19.881 -2.093 1.00 1.56 C ATOM 16 C6 DC A 1 -6.793 -19.742 -0.791 1.00 1.62 C ATOM 0 H5' DC A 1 -9.928 -20.897 3.353 1.00 2.13 H new ATOM 0 H5'' DC A 1 -10.136 -19.163 3.210 1.00 2.13 H new ATOM 0 H4' DC A 1 -7.880 -20.205 3.895 1.00 1.90 H new ATOM 0 H3' DC A 1 -8.346 -17.748 2.250 1.00 1.72 H new ATOM 0 H2' DC A 1 -6.232 -17.800 1.251 1.00 1.51 H new ATOM 0 H2'' DC A 1 -5.480 -18.262 2.765 1.00 1.51 H new ATOM 0 HO5' DC A 1 -9.276 -20.595 0.910 1.00 2.17 H new ATOM 0 H1' DC A 1 -5.395 -20.420 2.148 1.00 1.62 H new ATOM 0 H41 DC A 1 -5.553 -20.325 -4.452 1.00 1.34 H new ATOM 0 H42 DC A 1 -3.979 -20.955 -3.955 1.00 1.34 H new ATOM 0 H5 DC A 1 -7.223 -19.603 -2.855 1.00 1.56 H new ATOM 0 H6 DC A 1 -7.754 -19.347 -0.496 1.00 1.62 H new ATOM 29 P DC A 2 -7.310 -16.232 4.262 1.00 1.56 P ATOM 30 OP1 DC A 2 -8.331 -15.748 5.224 1.00 1.71 O ATOM 31 OP2 DC A 2 -7.240 -15.634 2.903 1.00 1.49 O ATOM 32 O5' DC A 2 -5.875 -16.074 4.936 1.00 1.34 O ATOM 33 C5' DC A 2 -5.358 -17.079 5.811 1.00 1.37 C ATOM 34 C4' DC A 2 -3.850 -17.001 5.864 1.00 1.15 C ATOM 35 O4' DC A 2 -3.293 -17.796 4.791 1.00 1.07 O ATOM 36 C3' DC A 2 -3.265 -15.606 5.664 1.00 0.93 C ATOM 37 O3' DC A 2 -3.153 -14.923 6.917 1.00 0.95 O ATOM 38 C2' DC A 2 -1.900 -15.908 5.081 1.00 0.72 C ATOM 39 C1' DC A 2 -2.198 -17.107 4.192 1.00 0.82 C ATOM 40 N1 DC A 2 -2.580 -16.759 2.813 1.00 0.76 N ATOM 41 C2 DC A 2 -1.632 -16.903 1.798 1.00 0.58 C ATOM 42 O2 DC A 2 -0.502 -17.319 2.089 1.00 0.54 O ATOM 43 N3 DC A 2 -1.970 -16.586 0.528 1.00 0.53 N ATOM 44 C4 DC A 2 -3.198 -16.140 0.256 1.00 0.70 C ATOM 45 N4 DC A 2 -3.487 -15.835 -1.009 1.00 0.71 N ATOM 46 C5 DC A 2 -4.186 -15.985 1.272 1.00 0.90 C ATOM 47 C6 DC A 2 -3.836 -16.302 2.524 1.00 0.91 C ATOM 0 H5' DC A 2 -5.666 -18.066 5.465 1.00 1.37 H new ATOM 0 H5'' DC A 2 -5.771 -16.948 6.811 1.00 1.37 H new ATOM 0 H4' DC A 2 -3.596 -17.347 6.866 1.00 1.15 H new ATOM 0 H3' DC A 2 -3.872 -14.958 5.031 1.00 0.93 H new ATOM 0 H2' DC A 2 -1.503 -15.067 4.513 1.00 0.72 H new ATOM 0 H2'' DC A 2 -1.169 -16.144 5.854 1.00 0.72 H new ATOM 0 H1' DC A 2 -1.286 -17.700 4.118 1.00 0.82 H new ATOM 0 H41 DC A 2 -4.416 -15.491 -1.251 1.00 0.71 H new ATOM 0 H42 DC A 2 -2.779 -15.945 -1.735 1.00 0.71 H new ATOM 0 H5 DC A 2 -5.178 -15.626 1.040 1.00 0.90 H new ATOM 0 H6 DC A 2 -4.558 -16.195 3.320 1.00 0.91 H new ATOM 59 P DT A 3 -3.701 -13.417 7.058 1.00 0.99 P ATOM 60 OP1 DT A 3 -4.240 -13.247 8.431 1.00 1.17 O ATOM 61 OP2 DT A 3 -4.572 -13.131 5.889 1.00 1.04 O ATOM 62 O5' DT A 3 -2.393 -12.517 6.921 1.00 0.76 O ATOM 63 C5' DT A 3 -1.222 -12.799 7.689 1.00 0.59 C ATOM 64 C4' DT A 3 0.002 -12.771 6.803 1.00 0.33 C ATOM 65 O4' DT A 3 -0.243 -13.562 5.621 1.00 0.33 O ATOM 66 C3' DT A 3 0.385 -11.395 6.270 1.00 0.37 C ATOM 67 O3' DT A 3 1.241 -10.720 7.198 1.00 0.34 O ATOM 68 C2' DT A 3 1.132 -11.727 4.989 1.00 0.37 C ATOM 69 C1' DT A 3 0.541 -13.065 4.544 1.00 0.22 C ATOM 70 N1 DT A 3 -0.322 -12.979 3.347 1.00 0.33 N ATOM 71 C2 DT A 3 0.290 -13.037 2.114 1.00 0.32 C ATOM 72 O2 DT A 3 1.496 -13.149 1.975 1.00 0.37 O ATOM 73 N3 DT A 3 -0.563 -12.958 1.047 1.00 0.44 N ATOM 74 C4 DT A 3 -1.935 -12.826 1.084 1.00 0.63 C ATOM 75 O4 DT A 3 -2.571 -12.772 0.035 1.00 0.76 O ATOM 76 C5 DT A 3 -2.513 -12.767 2.409 1.00 0.70 C ATOM 77 C7 DT A 3 -3.992 -12.587 2.548 1.00 0.97 C ATOM 78 C6 DT A 3 -1.691 -12.847 3.464 1.00 0.55 C ATOM 0 H5' DT A 3 -1.315 -13.777 8.162 1.00 0.59 H new ATOM 0 H5'' DT A 3 -1.118 -12.066 8.489 1.00 0.59 H new ATOM 0 H4' DT A 3 0.803 -13.140 7.443 1.00 0.33 H new ATOM 0 H3' DT A 3 -0.468 -10.734 6.113 1.00 0.37 H new ATOM 0 H2' DT A 3 0.986 -10.956 4.232 1.00 0.37 H new ATOM 0 H2'' DT A 3 2.205 -11.804 5.163 1.00 0.37 H new ATOM 0 H1' DT A 3 1.375 -13.715 4.278 1.00 0.22 H new ATOM 0 H3 DT A 3 -0.137 -13.002 0.121 1.00 0.44 H new ATOM 0 H71 DT A 3 -4.333 -13.071 3.463 1.00 0.97 H new ATOM 0 H72 DT A 3 -4.227 -11.523 2.591 1.00 0.97 H new ATOM 0 H73 DT A 3 -4.495 -13.035 1.691 1.00 0.97 H new ATOM 0 H6 DT A 3 -2.120 -12.806 4.454 1.00 0.55 H new ATOM 91 P DC A 4 1.369 -9.117 7.148 1.00 0.20 P ATOM 92 OP1 DC A 4 2.142 -8.697 8.344 1.00 0.27 O ATOM 93 OP2 DC A 4 0.021 -8.542 6.907 1.00 0.20 O ATOM 94 O5' DC A 4 2.261 -8.840 5.857 1.00 0.26 O ATOM 95 C5' DC A 4 3.645 -9.197 5.827 1.00 0.26 C ATOM 96 C4' DC A 4 4.390 -8.315 4.850 1.00 0.25 C ATOM 97 O4' DC A 4 3.960 -8.637 3.506 1.00 0.26 O ATOM 98 C3' DC A 4 4.146 -6.817 5.013 1.00 0.20 C ATOM 99 O3' DC A 4 5.307 -6.076 4.621 1.00 0.23 O ATOM 100 C2' DC A 4 2.990 -6.550 4.066 1.00 0.15 C ATOM 101 C1' DC A 4 3.195 -7.572 2.955 1.00 0.22 C ATOM 102 N1 DC A 4 1.949 -8.148 2.421 1.00 0.24 N ATOM 103 C2 DC A 4 1.794 -8.265 1.035 1.00 0.31 C ATOM 104 O2 DC A 4 2.705 -7.873 0.291 1.00 0.34 O ATOM 105 N3 DC A 4 0.654 -8.802 0.542 1.00 0.36 N ATOM 106 C4 DC A 4 -0.307 -9.208 1.375 1.00 0.33 C ATOM 107 N4 DC A 4 -1.413 -9.729 0.844 1.00 0.40 N ATOM 108 C5 DC A 4 -0.177 -9.095 2.789 1.00 0.26 C ATOM 109 C6 DC A 4 0.957 -8.565 3.264 1.00 0.21 C ATOM 0 H5' DC A 4 3.752 -10.243 5.539 1.00 0.26 H new ATOM 0 H5'' DC A 4 4.076 -9.095 6.823 1.00 0.26 H new ATOM 0 H4' DC A 4 5.444 -8.510 5.045 1.00 0.25 H new ATOM 0 H3' DC A 4 3.932 -6.522 6.040 1.00 0.20 H new ATOM 0 H2' DC A 4 2.028 -6.683 4.560 1.00 0.15 H new ATOM 0 H2'' DC A 4 3.013 -5.530 3.682 1.00 0.15 H new ATOM 0 H1' DC A 4 3.681 -7.057 2.127 1.00 0.22 H new ATOM 0 H41 DC A 4 -2.168 -10.050 1.451 1.00 0.40 H new ATOM 0 H42 DC A 4 -1.505 -9.807 -0.169 1.00 0.40 H new ATOM 0 H5 DC A 4 -0.963 -9.424 3.452 1.00 0.26 H new ATOM 0 H6 DC A 4 1.090 -8.465 4.331 1.00 0.21 H new ATOM 121 P DT A 5 5.503 -4.565 5.141 1.00 0.24 P ATOM 122 OP1 DT A 5 6.604 -4.555 6.137 1.00 0.34 O ATOM 123 OP2 DT A 5 4.165 -4.038 5.517 1.00 0.16 O ATOM 124 O5' DT A 5 5.989 -3.773 3.846 1.00 0.25 O ATOM 125 C5' DT A 5 7.019 -4.298 3.005 1.00 0.37 C ATOM 126 C4' DT A 5 6.732 -3.969 1.558 1.00 0.33 C ATOM 127 O4' DT A 5 5.442 -4.521 1.203 1.00 0.27 O ATOM 128 C3' DT A 5 6.668 -2.473 1.238 1.00 0.29 C ATOM 129 O3' DT A 5 7.421 -2.188 0.054 1.00 0.30 O ATOM 130 C2' DT A 5 5.190 -2.202 1.011 1.00 0.18 C ATOM 131 C1' DT A 5 4.654 -3.543 0.552 1.00 0.20 C ATOM 132 N1 DT A 5 3.242 -3.795 0.903 1.00 0.18 N ATOM 133 C2 DT A 5 2.392 -4.247 -0.082 1.00 0.28 C ATOM 134 O2 DT A 5 2.744 -4.440 -1.233 1.00 0.32 O ATOM 135 N3 DT A 5 1.105 -4.466 0.331 1.00 0.36 N ATOM 136 C4 DT A 5 0.593 -4.276 1.598 1.00 0.37 C ATOM 137 O4 DT A 5 -0.591 -4.501 1.816 1.00 0.49 O ATOM 138 C5 DT A 5 1.536 -3.797 2.581 1.00 0.26 C ATOM 139 C7 DT A 5 1.068 -3.574 3.984 1.00 0.30 C ATOM 140 C6 DT A 5 2.801 -3.582 2.193 1.00 0.16 C ATOM 0 H5' DT A 5 7.087 -5.378 3.133 1.00 0.37 H new ATOM 0 H5'' DT A 5 7.983 -3.881 3.296 1.00 0.37 H new ATOM 0 H4' DT A 5 7.564 -4.392 0.995 1.00 0.33 H new ATOM 0 H3' DT A 5 7.086 -1.853 2.031 1.00 0.29 H new ATOM 0 H2' DT A 5 4.699 -1.864 1.923 1.00 0.18 H new ATOM 0 H2'' DT A 5 5.034 -1.428 0.259 1.00 0.18 H new ATOM 0 H1' DT A 5 4.703 -3.568 -0.537 1.00 0.20 H new ATOM 0 H3 DT A 5 0.453 -4.807 -0.376 1.00 0.36 H new ATOM 0 H71 DT A 5 0.013 -3.299 3.976 1.00 0.30 H new ATOM 0 H72 DT A 5 1.200 -4.489 4.561 1.00 0.30 H new ATOM 0 H73 DT A 5 1.649 -2.771 4.438 1.00 0.30 H new ATOM 0 H6 DT A 5 3.509 -3.225 2.926 1.00 0.16 H new ATOM 153 P DG A 6 8.040 -0.721 -0.165 1.00 0.29 P ATOM 154 OP1 DG A 6 9.507 -0.790 0.052 1.00 0.28 O ATOM 155 OP2 DG A 6 7.224 0.231 0.633 1.00 0.29 O ATOM 156 O5' DG A 6 7.769 -0.412 -1.705 1.00 0.32 O ATOM 157 C5' DG A 6 8.588 -0.983 -2.727 1.00 0.47 C ATOM 158 C4' DG A 6 7.812 -1.093 -4.018 1.00 0.42 C ATOM 159 O4' DG A 6 6.748 -2.065 -3.852 1.00 0.35 O ATOM 160 C3' DG A 6 7.110 0.188 -4.461 1.00 0.37 C ATOM 161 O3' DG A 6 7.958 0.977 -5.303 1.00 0.44 O ATOM 162 C2' DG A 6 5.917 -0.344 -5.231 1.00 0.28 C ATOM 163 C1' DG A 6 5.539 -1.558 -4.405 1.00 0.26 C ATOM 164 N9 DG A 6 4.632 -1.244 -3.306 1.00 0.19 N ATOM 165 C8 DG A 6 4.953 -0.618 -2.130 1.00 0.21 C ATOM 166 N7 DG A 6 3.931 -0.438 -1.343 1.00 0.12 N ATOM 167 C5 DG A 6 2.868 -1.006 -2.035 1.00 0.07 C ATOM 168 C6 DG A 6 1.499 -1.127 -1.681 1.00 0.12 C ATOM 169 O6 DG A 6 0.940 -0.766 -0.642 1.00 0.15 O ATOM 170 N1 DG A 6 0.762 -1.747 -2.686 1.00 0.19 N ATOM 171 C2 DG A 6 1.278 -2.204 -3.876 1.00 0.17 C ATOM 172 N2 DG A 6 0.416 -2.776 -4.732 1.00 0.24 N ATOM 173 N3 DG A 6 2.554 -2.107 -4.210 1.00 0.12 N ATOM 174 C4 DG A 6 3.284 -1.501 -3.253 1.00 0.11 C ATOM 0 H5' DG A 6 8.934 -1.969 -2.417 1.00 0.47 H new ATOM 0 H5'' DG A 6 9.475 -0.367 -2.879 1.00 0.47 H new ATOM 0 H4' DG A 6 8.560 -1.359 -4.765 1.00 0.42 H new ATOM 0 H3' DG A 6 6.838 0.844 -3.634 1.00 0.37 H new ATOM 0 H2' DG A 6 5.107 0.383 -5.285 1.00 0.28 H new ATOM 0 H2'' DG A 6 6.176 -0.610 -6.256 1.00 0.28 H new ATOM 0 H1' DG A 6 5.024 -2.270 -5.050 1.00 0.26 H new ATOM 0 H8 DG A 6 5.956 -0.304 -1.880 1.00 0.21 H new ATOM 0 H1 DG A 6 -0.238 -1.872 -2.528 1.00 0.19 H new ATOM 0 H21 DG A 6 0.748 -3.132 -5.629 1.00 0.24 H new ATOM 0 H22 DG A 6 -0.571 -2.855 -4.486 1.00 0.24 H new ATOM 186 P DG A 7 8.135 2.550 -5.006 1.00 0.51 P ATOM 187 OP1 DG A 7 9.277 3.028 -5.824 1.00 0.76 O ATOM 188 OP2 DG A 7 8.150 2.750 -3.534 1.00 0.44 O ATOM 189 O5' DG A 7 6.802 3.213 -5.578 1.00 0.51 O ATOM 190 C5' DG A 7 6.126 2.650 -6.704 1.00 0.54 C ATOM 191 C4' DG A 7 4.889 3.453 -7.033 1.00 0.56 C ATOM 192 O4' DG A 7 3.774 2.904 -6.290 1.00 0.39 O ATOM 193 C3' DG A 7 4.951 4.938 -6.670 1.00 0.74 C ATOM 194 O3' DG A 7 4.281 5.717 -7.670 1.00 0.70 O ATOM 195 C2' DG A 7 4.219 5.011 -5.343 1.00 0.96 C ATOM 196 C1' DG A 7 3.194 3.898 -5.462 1.00 0.61 C ATOM 197 N9 DG A 7 2.843 3.271 -4.192 1.00 0.47 N ATOM 198 C8 DG A 7 3.695 2.633 -3.328 1.00 0.36 C ATOM 199 N7 DG A 7 3.097 2.171 -2.261 1.00 0.24 N ATOM 200 C5 DG A 7 1.769 2.533 -2.435 1.00 0.31 C ATOM 201 C6 DG A 7 0.648 2.307 -1.603 1.00 0.33 C ATOM 202 O6 DG A 7 0.609 1.742 -0.507 1.00 0.26 O ATOM 203 N1 DG A 7 -0.517 2.823 -2.160 1.00 0.50 N ATOM 204 C2 DG A 7 -0.586 3.488 -3.361 1.00 0.61 C ATOM 205 N2 DG A 7 -1.797 3.919 -3.728 1.00 0.77 N ATOM 206 N3 DG A 7 0.456 3.711 -4.143 1.00 0.59 N ATOM 207 C4 DG A 7 1.593 3.207 -3.622 1.00 0.46 C ATOM 0 H5' DG A 7 5.851 1.617 -6.491 1.00 0.54 H new ATOM 0 H5'' DG A 7 6.794 2.631 -7.565 1.00 0.54 H new ATOM 0 H4' DG A 7 4.789 3.386 -8.116 1.00 0.56 H new ATOM 0 H3' DG A 7 5.967 5.327 -6.608 1.00 0.74 H new ATOM 0 H2' DG A 7 4.892 4.852 -4.501 1.00 0.96 H new ATOM 0 H2'' DG A 7 3.746 5.982 -5.195 1.00 0.96 H new ATOM 0 H1' DG A 7 2.276 4.331 -5.859 1.00 0.61 H new ATOM 0 H8 DG A 7 4.754 2.523 -3.510 1.00 0.36 H new ATOM 0 H1 DG A 7 -1.385 2.699 -1.639 1.00 0.50 H new ATOM 0 H21 DG A 7 -1.915 4.420 -4.609 1.00 0.77 H new ATOM 0 H22 DG A 7 -2.603 3.747 -3.127 1.00 0.77 H new ATOM 219 P DT A 8 4.233 7.320 -7.538 1.00 0.91 P ATOM 220 OP1 DT A 8 4.299 7.875 -8.914 1.00 1.33 O ATOM 221 OP2 DT A 8 5.233 7.747 -6.527 1.00 1.15 O ATOM 222 O5' DT A 8 2.778 7.616 -6.957 1.00 0.65 O ATOM 223 C5' DT A 8 1.663 6.800 -7.320 1.00 0.77 C ATOM 224 C4' DT A 8 0.368 7.461 -6.909 1.00 0.45 C ATOM 225 O4' DT A 8 -0.019 6.949 -5.610 1.00 0.34 O ATOM 226 C3' DT A 8 0.422 8.982 -6.760 1.00 0.44 C ATOM 227 O3' DT A 8 -0.812 9.564 -7.194 1.00 0.34 O ATOM 228 C2' DT A 8 0.615 9.183 -5.268 1.00 0.40 C ATOM 229 C1' DT A 8 -0.159 8.014 -4.684 1.00 0.13 C ATOM 230 N1 DT A 8 0.320 7.536 -3.371 1.00 0.16 N ATOM 231 C2 DT A 8 -0.622 7.144 -2.449 1.00 0.16 C ATOM 232 O2 DT A 8 -1.821 7.174 -2.667 1.00 0.15 O ATOM 233 N3 DT A 8 -0.110 6.714 -1.255 1.00 0.24 N ATOM 234 C4 DT A 8 1.217 6.644 -0.893 1.00 0.31 C ATOM 235 O4 DT A 8 1.524 6.217 0.217 1.00 0.38 O ATOM 236 C5 DT A 8 2.158 7.074 -1.904 1.00 0.32 C ATOM 237 C7 DT A 8 3.620 7.067 -1.574 1.00 0.42 C ATOM 238 C6 DT A 8 1.671 7.488 -3.088 1.00 0.25 C ATOM 0 H5' DT A 8 1.748 5.824 -6.842 1.00 0.77 H new ATOM 0 H5'' DT A 8 1.665 6.629 -8.396 1.00 0.77 H new ATOM 0 H4' DT A 8 -0.330 7.234 -7.715 1.00 0.45 H new ATOM 0 H3' DT A 8 1.208 9.447 -7.355 1.00 0.44 H new ATOM 0 H2' DT A 8 1.668 9.156 -4.986 1.00 0.40 H new ATOM 0 H2'' DT A 8 0.220 10.142 -4.932 1.00 0.40 H new ATOM 0 H1' DT A 8 -1.183 8.349 -4.521 1.00 0.13 H new ATOM 0 H3 DT A 8 -0.787 6.411 -0.555 1.00 0.24 H new ATOM 0 H71 DT A 8 4.197 6.886 -2.481 1.00 0.42 H new ATOM 0 H72 DT A 8 3.902 8.031 -1.151 1.00 0.42 H new ATOM 0 H73 DT A 8 3.826 6.279 -0.850 1.00 0.42 H new ATOM 0 H6 DT A 8 2.369 7.797 -3.852 1.00 0.25 H new ATOM 251 P DC A 9 -0.919 11.156 -7.396 1.00 0.53 P ATOM 252 OP1 DC A 9 -1.480 11.388 -8.751 1.00 0.56 O ATOM 253 OP2 DC A 9 0.380 11.774 -7.025 1.00 0.71 O ATOM 254 O5' DC A 9 -2.006 11.607 -6.322 1.00 0.55 O ATOM 255 C5' DC A 9 -3.398 11.626 -6.643 1.00 0.66 C ATOM 256 C4' DC A 9 -4.216 11.892 -5.401 1.00 0.68 C ATOM 257 O4' DC A 9 -3.894 10.895 -4.410 1.00 0.70 O ATOM 258 C3' DC A 9 -3.943 13.233 -4.727 1.00 0.67 C ATOM 259 O3' DC A 9 -4.862 14.223 -5.206 1.00 0.68 O ATOM 260 C2' DC A 9 -4.186 12.951 -3.253 1.00 0.64 C ATOM 261 C1' DC A 9 -4.029 11.441 -3.107 1.00 0.64 C ATOM 262 N1 DC A 9 -2.854 11.027 -2.323 1.00 0.61 N ATOM 263 C2 DC A 9 -3.047 10.525 -1.036 1.00 0.55 C ATOM 264 O2 DC A 9 -4.200 10.457 -0.590 1.00 0.51 O ATOM 265 N3 DC A 9 -1.977 10.129 -0.310 1.00 0.54 N ATOM 266 C4 DC A 9 -0.751 10.218 -0.829 1.00 0.59 C ATOM 267 N4 DC A 9 0.273 9.814 -0.078 1.00 0.58 N ATOM 268 C5 DC A 9 -0.521 10.728 -2.139 1.00 0.65 C ATOM 269 C6 DC A 9 -1.593 11.126 -2.842 1.00 0.66 C ATOM 0 H5' DC A 9 -3.690 10.672 -7.083 1.00 0.66 H new ATOM 0 H5'' DC A 9 -3.596 12.395 -7.389 1.00 0.66 H new ATOM 0 H4' DC A 9 -5.252 11.879 -5.738 1.00 0.68 H new ATOM 0 H3' DC A 9 -2.941 13.615 -4.925 1.00 0.67 H new ATOM 0 H2' DC A 9 -3.471 13.484 -2.626 1.00 0.64 H new ATOM 0 H2'' DC A 9 -5.181 13.275 -2.948 1.00 0.64 H new ATOM 0 H1' DC A 9 -4.908 11.081 -2.572 1.00 0.64 H new ATOM 0 H41 DC A 9 1.224 9.867 -0.442 1.00 0.58 H new ATOM 0 H42 DC A 9 0.105 9.452 0.861 1.00 0.58 H new ATOM 0 H5 DC A 9 0.476 10.792 -2.550 1.00 0.65 H new ATOM 0 H6 DC A 9 -1.457 11.531 -3.834 1.00 0.66 H new ATOM 281 P DT A 10 -4.485 15.784 -5.106 1.00 0.69 P ATOM 282 OP1 DT A 10 -5.199 16.480 -6.207 1.00 0.75 O ATOM 283 OP2 DT A 10 -3.010 15.911 -4.993 1.00 0.69 O ATOM 284 O5' DT A 10 -5.129 16.251 -3.724 1.00 0.61 O ATOM 285 C5' DT A 10 -6.544 16.226 -3.522 1.00 0.64 C ATOM 286 C4' DT A 10 -6.886 16.796 -2.163 1.00 0.60 C ATOM 287 O4' DT A 10 -6.279 15.957 -1.154 1.00 0.58 O ATOM 288 C3' DT A 10 -6.397 18.224 -1.913 1.00 0.57 C ATOM 289 O3' DT A 10 -7.481 19.029 -1.437 1.00 0.57 O ATOM 290 C2' DT A 10 -5.320 18.098 -0.844 1.00 0.53 C ATOM 291 C1' DT A 10 -5.453 16.699 -0.276 1.00 0.53 C ATOM 292 N1 DT A 10 -4.175 15.971 -0.145 1.00 0.52 N ATOM 293 C2 DT A 10 -3.865 15.422 1.076 1.00 0.47 C ATOM 294 O2 DT A 10 -4.582 15.527 2.057 1.00 0.43 O ATOM 295 N3 DT A 10 -2.677 14.741 1.111 1.00 0.47 N ATOM 296 C4 DT A 10 -1.789 14.560 0.075 1.00 0.52 C ATOM 297 O4 DT A 10 -0.764 13.910 0.258 1.00 0.54 O ATOM 298 C5 DT A 10 -2.170 15.171 -1.178 1.00 0.57 C ATOM 299 C7 DT A 10 -1.258 15.031 -2.357 1.00 0.63 C ATOM 300 C6 DT A 10 -3.330 15.842 -1.229 1.00 0.56 C ATOM 0 H5' DT A 10 -6.912 15.203 -3.599 1.00 0.64 H new ATOM 0 H5'' DT A 10 -7.041 16.803 -4.302 1.00 0.64 H new ATOM 0 H4' DT A 10 -7.975 16.823 -2.121 1.00 0.60 H new ATOM 0 H3' DT A 10 -6.013 18.695 -2.818 1.00 0.57 H new ATOM 0 H2' DT A 10 -4.329 18.253 -1.270 1.00 0.53 H new ATOM 0 H2'' DT A 10 -5.454 18.849 -0.065 1.00 0.53 H new ATOM 0 H1' DT A 10 -5.863 16.803 0.729 1.00 0.53 H new ATOM 0 H3 DT A 10 -2.422 14.321 2.005 1.00 0.47 H new ATOM 0 H71 DT A 10 -0.227 14.953 -2.012 1.00 0.63 H new ATOM 0 H72 DT A 10 -1.522 14.134 -2.917 1.00 0.63 H new ATOM 0 H73 DT A 10 -1.360 15.904 -3.002 1.00 0.63 H new ATOM 0 H6 DT A 10 -3.617 16.303 -2.162 1.00 0.56 H new ATOM 313 P DC A 11 -7.311 20.624 -1.345 1.00 0.55 P ATOM 314 OP1 DC A 11 -8.635 21.191 -0.982 1.00 0.56 O ATOM 315 OP2 DC A 11 -6.624 21.096 -2.574 1.00 0.58 O ATOM 316 O5' DC A 11 -6.325 20.831 -0.111 1.00 0.48 O ATOM 317 C5' DC A 11 -6.663 20.349 1.190 1.00 0.45 C ATOM 318 C4' DC A 11 -5.507 20.557 2.140 1.00 0.40 C ATOM 319 O4' DC A 11 -4.629 19.414 2.121 1.00 0.38 O ATOM 320 C3' DC A 11 -4.594 21.729 1.807 1.00 0.44 C ATOM 321 O3' DC A 11 -5.104 22.941 2.378 1.00 0.47 O ATOM 322 C2' DC A 11 -3.276 21.334 2.458 1.00 0.38 C ATOM 323 C1' DC A 11 -3.383 19.821 2.668 1.00 0.35 C ATOM 324 N1 DC A 11 -2.319 19.043 2.010 1.00 0.38 N ATOM 325 C2 DC A 11 -1.560 18.152 2.777 1.00 0.34 C ATOM 326 O2 DC A 11 -1.801 18.043 3.987 1.00 0.27 O ATOM 327 N3 DC A 11 -0.581 17.435 2.180 1.00 0.39 N ATOM 328 C4 DC A 11 -0.352 17.576 0.874 1.00 0.47 C ATOM 329 N4 DC A 11 0.632 16.843 0.338 1.00 0.52 N ATOM 330 C5 DC A 11 -1.114 18.478 0.066 1.00 0.50 C ATOM 331 C6 DC A 11 -2.074 19.186 0.673 1.00 0.46 C ATOM 0 H5' DC A 11 -6.915 19.290 1.139 1.00 0.45 H new ATOM 0 H5'' DC A 11 -7.546 20.870 1.561 1.00 0.45 H new ATOM 0 H4' DC A 11 -6.000 20.736 3.096 1.00 0.40 H new ATOM 0 H3' DC A 11 -4.502 21.917 0.737 1.00 0.44 H new ATOM 0 H2' DC A 11 -2.429 21.586 1.821 1.00 0.38 H new ATOM 0 H2'' DC A 11 -3.130 21.856 3.404 1.00 0.38 H new ATOM 0 H1' DC A 11 -3.289 19.630 3.737 1.00 0.35 H new ATOM 0 H41 DC A 11 0.841 16.920 -0.657 1.00 0.52 H new ATOM 0 H42 DC A 11 1.173 16.208 0.925 1.00 0.52 H new ATOM 0 H5 DC A 11 -0.922 18.583 -0.992 1.00 0.50 H new ATOM 0 H6 DC A 11 -2.665 19.882 0.097 1.00 0.46 H new ATOM 343 P DC A 12 -5.293 24.244 1.452 1.00 0.56 P ATOM 344 OP1 DC A 12 -6.744 24.547 1.367 1.00 0.59 O ATOM 345 OP2 DC A 12 -4.512 24.036 0.206 1.00 0.59 O ATOM 346 O5' DC A 12 -4.588 25.411 2.276 1.00 0.58 O ATOM 347 C5' DC A 12 -4.764 25.529 3.690 1.00 0.57 C ATOM 348 C4' DC A 12 -3.423 25.651 4.374 1.00 0.58 C ATOM 349 O4' DC A 12 -2.677 24.433 4.145 1.00 0.40 O ATOM 350 C3' DC A 12 -2.539 26.799 3.872 1.00 0.77 C ATOM 351 O3' DC A 12 -2.101 27.606 4.967 1.00 1.03 O ATOM 352 C2' DC A 12 -1.350 26.107 3.224 1.00 0.48 C ATOM 353 C1' DC A 12 -1.325 24.759 3.915 1.00 0.35 C ATOM 354 N1 DC A 12 -0.721 23.661 3.141 1.00 0.36 N ATOM 355 C2 DC A 12 0.083 22.731 3.806 1.00 0.29 C ATOM 356 O2 DC A 12 0.265 22.859 5.025 1.00 0.21 O ATOM 357 N3 DC A 12 0.640 21.715 3.107 1.00 0.33 N ATOM 358 C4 DC A 12 0.421 21.612 1.795 1.00 0.41 C ATOM 359 N4 DC A 12 0.991 20.600 1.141 1.00 0.46 N ATOM 360 C5 DC A 12 -0.394 22.546 1.090 1.00 0.46 C ATOM 361 C6 DC A 12 -0.939 23.545 1.796 1.00 0.44 C ATOM 0 H5' DC A 12 -5.297 24.658 4.071 1.00 0.57 H new ATOM 0 H5'' DC A 12 -5.376 26.402 3.916 1.00 0.57 H new ATOM 0 H4' DC A 12 -3.651 25.845 5.422 1.00 0.58 H new ATOM 0 H3' DC A 12 -3.067 27.458 3.183 1.00 0.77 H new ATOM 0 H2' DC A 12 -1.479 26.006 2.146 1.00 0.48 H new ATOM 0 H2'' DC A 12 -0.424 26.660 3.384 1.00 0.48 H new ATOM 0 HO3' DC A 12 -1.536 28.334 4.632 1.00 1.03 H new ATOM 0 H1' DC A 12 -0.708 24.854 4.808 1.00 0.35 H new ATOM 0 H41 DC A 12 0.843 20.493 0.137 1.00 0.46 H new ATOM 0 H42 DC A 12 1.575 19.932 1.644 1.00 0.46 H new ATOM 0 H5 DC A 12 -0.565 22.451 0.028 1.00 0.46 H new ATOM 0 H6 DC A 12 -1.561 24.271 1.295 1.00 0.44 H new TER 374 DC A 12 ATOM 375 O5' DG B 13 7.833 18.289 5.637 1.00 0.87 O ATOM 376 C5' DG B 13 8.529 18.066 6.867 1.00 0.58 C ATOM 377 C4' DG B 13 7.627 17.408 7.884 1.00 0.56 C ATOM 378 O4' DG B 13 6.322 18.035 7.827 1.00 0.47 O ATOM 379 C3' DG B 13 7.381 15.917 7.655 1.00 0.60 C ATOM 380 O3' DG B 13 8.247 15.130 8.478 1.00 0.69 O ATOM 381 C2' DG B 13 5.934 15.734 8.075 1.00 0.53 C ATOM 382 C1' DG B 13 5.314 17.050 7.654 1.00 0.45 C ATOM 383 N9 DG B 13 4.879 17.095 6.262 1.00 0.42 N ATOM 384 C8 DG B 13 5.198 16.205 5.266 1.00 0.49 C ATOM 385 N7 DG B 13 4.670 16.513 4.113 1.00 0.47 N ATOM 386 C5 DG B 13 3.954 17.674 4.365 1.00 0.39 C ATOM 387 C6 DG B 13 3.171 18.475 3.499 1.00 0.36 C ATOM 388 O6 DG B 13 2.944 18.311 2.296 1.00 0.41 O ATOM 389 N1 DG B 13 2.619 19.565 4.164 1.00 0.28 N ATOM 390 C2 DG B 13 2.799 19.848 5.503 1.00 0.22 C ATOM 391 N2 DG B 13 2.197 20.947 5.991 1.00 0.15 N ATOM 392 N3 DG B 13 3.524 19.103 6.320 1.00 0.27 N ATOM 393 C4 DG B 13 4.070 18.044 5.689 1.00 0.35 C ATOM 0 H5' DG B 13 8.895 19.015 7.259 1.00 0.58 H new ATOM 0 H5'' DG B 13 9.401 17.437 6.687 1.00 0.58 H new ATOM 0 H4' DG B 13 8.141 17.526 8.838 1.00 0.56 H new ATOM 0 H3' DG B 13 7.573 15.605 6.628 1.00 0.60 H new ATOM 0 H2' DG B 13 5.468 14.885 7.574 1.00 0.53 H new ATOM 0 H2'' DG B 13 5.839 15.563 9.147 1.00 0.53 H new ATOM 0 HO5' DG B 13 6.994 17.782 5.639 1.00 0.87 H new ATOM 0 H1' DG B 13 4.420 17.207 8.257 1.00 0.45 H new ATOM 0 H8 DG B 13 5.823 15.338 5.421 1.00 0.49 H new ATOM 0 H1 DG B 13 2.037 20.203 3.621 1.00 0.28 H new ATOM 0 H21 DG B 13 2.304 21.193 6.975 1.00 0.15 H new ATOM 0 H22 DG B 13 1.633 21.535 5.377 1.00 0.15 H new ATOM 406 P DG B 14 8.491 13.580 8.125 1.00 0.76 P ATOM 407 OP1 DG B 14 9.295 12.998 9.231 1.00 0.84 O ATOM 408 OP2 DG B 14 8.992 13.492 6.730 1.00 0.79 O ATOM 409 O5' DG B 14 7.033 12.939 8.177 1.00 0.70 O ATOM 410 C5' DG B 14 6.313 12.850 9.408 1.00 0.67 C ATOM 411 C4' DG B 14 4.832 12.690 9.147 1.00 0.57 C ATOM 412 O4' DG B 14 4.487 13.324 7.890 1.00 0.52 O ATOM 413 C3' DG B 14 4.352 11.238 9.038 1.00 0.57 C ATOM 414 O3' DG B 14 3.309 10.998 9.990 1.00 0.53 O ATOM 415 C2' DG B 14 3.822 11.120 7.615 1.00 0.54 C ATOM 416 C1' DG B 14 3.486 12.552 7.265 1.00 0.48 C ATOM 417 N9 DG B 14 3.501 12.849 5.835 1.00 0.48 N ATOM 418 C8 DG B 14 4.314 12.277 4.888 1.00 0.55 C ATOM 419 N7 DG B 14 4.104 12.733 3.685 1.00 0.56 N ATOM 420 C5 DG B 14 3.085 13.663 3.844 1.00 0.48 C ATOM 421 C6 DG B 14 2.428 14.479 2.887 1.00 0.46 C ATOM 422 O6 DG B 14 2.623 14.546 1.668 1.00 0.51 O ATOM 423 N1 DG B 14 1.453 15.276 3.476 1.00 0.37 N ATOM 424 C2 DG B 14 1.150 15.291 4.813 1.00 0.31 C ATOM 425 N2 DG B 14 0.187 16.143 5.187 1.00 0.23 N ATOM 426 N3 DG B 14 1.749 14.531 5.717 1.00 0.34 N ATOM 427 C4 DG B 14 2.702 13.748 5.166 1.00 0.42 C ATOM 0 H5' DG B 14 6.488 13.746 10.004 1.00 0.67 H new ATOM 0 H5'' DG B 14 6.679 12.004 9.989 1.00 0.67 H new ATOM 0 H4' DG B 14 4.349 13.146 10.011 1.00 0.57 H new ATOM 0 H3' DG B 14 5.140 10.513 9.243 1.00 0.57 H new ATOM 0 H2' DG B 14 4.568 10.702 6.939 1.00 0.54 H new ATOM 0 H2'' DG B 14 2.946 10.474 7.562 1.00 0.54 H new ATOM 0 H1' DG B 14 2.469 12.764 7.594 1.00 0.48 H new ATOM 0 H8 DG B 14 5.054 11.524 5.117 1.00 0.55 H new ATOM 0 H1 DG B 14 0.922 15.898 2.866 1.00 0.37 H new ATOM 0 H21 DG B 14 -0.087 16.204 6.168 1.00 0.23 H new ATOM 0 H22 DG B 14 -0.272 16.731 4.491 1.00 0.23 H new ATOM 439 P DA B 15 2.864 9.490 10.331 1.00 0.61 P ATOM 440 OP1 DA B 15 3.342 9.163 11.698 1.00 0.68 O ATOM 441 OP2 DA B 15 3.265 8.629 9.189 1.00 0.73 O ATOM 442 O5' DA B 15 1.273 9.561 10.363 1.00 0.51 O ATOM 443 C5' DA B 15 0.598 10.704 10.895 1.00 0.42 C ATOM 444 C4' DA B 15 -0.708 10.923 10.169 1.00 0.44 C ATOM 445 O4' DA B 15 -0.456 11.674 8.966 1.00 0.40 O ATOM 446 C3' DA B 15 -1.406 9.646 9.711 1.00 0.47 C ATOM 447 O3' DA B 15 -2.388 9.256 10.677 1.00 1.03 O ATOM 448 C2' DA B 15 -2.074 10.037 8.400 1.00 0.32 C ATOM 449 C1' DA B 15 -1.445 11.366 8.000 1.00 0.31 C ATOM 450 N9 DA B 15 -0.797 11.348 6.689 1.00 0.33 N ATOM 451 C8 DA B 15 0.353 10.691 6.331 1.00 0.41 C ATOM 452 N7 DA B 15 0.697 10.872 5.079 1.00 0.45 N ATOM 453 C5 DA B 15 -0.297 11.699 4.578 1.00 0.40 C ATOM 454 C6 DA B 15 -0.516 12.254 3.304 1.00 0.43 C ATOM 455 N6 DA B 15 0.284 12.045 2.257 1.00 0.51 N ATOM 456 N1 DA B 15 -1.604 13.037 3.139 1.00 0.39 N ATOM 457 C2 DA B 15 -2.415 13.237 4.186 1.00 0.32 C ATOM 458 N3 DA B 15 -2.319 12.768 5.427 1.00 0.28 N ATOM 459 C4 DA B 15 -1.225 11.999 5.559 1.00 0.32 C ATOM 0 H5' DA B 15 1.230 11.587 10.797 1.00 0.42 H new ATOM 0 H5'' DA B 15 0.411 10.562 11.960 1.00 0.42 H new ATOM 0 H4' DA B 15 -1.349 11.430 10.890 1.00 0.44 H new ATOM 0 H3' DA B 15 -0.723 8.805 9.594 1.00 0.47 H new ATOM 0 H2' DA B 15 -1.909 9.279 7.634 1.00 0.32 H new ATOM 0 H2'' DA B 15 -3.153 10.135 8.524 1.00 0.32 H new ATOM 0 H1' DA B 15 -2.248 12.101 7.947 1.00 0.31 H new ATOM 0 H8 DA B 15 0.922 10.081 7.017 1.00 0.41 H new ATOM 0 H61 DA B 15 0.071 12.477 1.358 1.00 0.51 H new ATOM 0 H62 DA B 15 1.109 11.454 2.356 1.00 0.51 H new ATOM 0 H2 DA B 15 -3.269 13.870 3.995 1.00 0.32 H new ATOM 471 P DG B 16 -2.416 7.746 11.231 1.00 1.43 P ATOM 472 OP1 DG B 16 -2.668 7.802 12.694 1.00 2.12 O ATOM 473 OP2 DG B 16 -1.217 7.033 10.722 1.00 1.64 O ATOM 474 O5' DG B 16 -3.699 7.108 10.535 1.00 1.04 O ATOM 475 C5' DG B 16 -4.731 7.936 9.995 1.00 0.89 C ATOM 476 C4' DG B 16 -5.128 7.445 8.622 1.00 0.43 C ATOM 477 O4' DG B 16 -4.285 8.062 7.629 1.00 0.44 O ATOM 478 C3' DG B 16 -4.958 5.946 8.395 1.00 0.45 C ATOM 479 O3' DG B 16 -6.182 5.263 8.680 1.00 0.67 O ATOM 480 C2' DG B 16 -4.613 5.836 6.915 1.00 0.29 C ATOM 481 C1' DG B 16 -4.345 7.268 6.460 1.00 0.30 C ATOM 482 N9 DG B 16 -3.093 7.443 5.730 1.00 0.38 N ATOM 483 C8 DG B 16 -1.823 7.159 6.172 1.00 0.43 C ATOM 484 N7 DG B 16 -0.901 7.409 5.283 1.00 0.50 N ATOM 485 C5 DG B 16 -1.606 7.892 4.188 1.00 0.50 C ATOM 486 C6 DG B 16 -1.146 8.329 2.919 1.00 0.57 C ATOM 487 O6 DG B 16 0.013 8.378 2.492 1.00 0.64 O ATOM 488 N1 DG B 16 -2.198 8.738 2.106 1.00 0.57 N ATOM 489 C2 DG B 16 -3.525 8.727 2.468 1.00 0.51 C ATOM 490 N2 DG B 16 -4.407 9.158 1.557 1.00 0.54 N ATOM 491 N3 DG B 16 -3.964 8.320 3.646 1.00 0.44 N ATOM 492 C4 DG B 16 -2.958 7.921 4.450 1.00 0.44 C ATOM 0 H5' DG B 16 -4.385 8.968 9.934 1.00 0.89 H new ATOM 0 H5'' DG B 16 -5.597 7.928 10.657 1.00 0.89 H new ATOM 0 H4' DG B 16 -6.185 7.698 8.544 1.00 0.43 H new ATOM 0 H3' DG B 16 -4.197 5.501 9.036 1.00 0.45 H new ATOM 0 H2' DG B 16 -3.739 5.203 6.760 1.00 0.29 H new ATOM 0 H2'' DG B 16 -5.433 5.390 6.351 1.00 0.29 H new ATOM 0 H1' DG B 16 -5.142 7.551 5.773 1.00 0.30 H new ATOM 0 H8 DG B 16 -1.610 6.768 7.156 1.00 0.43 H new ATOM 0 H1 DG B 16 -1.968 9.072 1.170 1.00 0.57 H new ATOM 0 H21 DG B 16 -5.403 9.169 1.777 1.00 0.54 H new ATOM 0 H22 DG B 16 -4.083 9.475 0.643 1.00 0.54 H new ATOM 504 P DA B 17 -6.235 3.657 8.613 1.00 1.00 P ATOM 505 OP1 DA B 17 -7.408 3.197 9.398 1.00 1.06 O ATOM 506 OP2 DA B 17 -4.880 3.147 8.948 1.00 1.23 O ATOM 507 O5' DA B 17 -6.511 3.346 7.074 1.00 1.14 O ATOM 508 C5' DA B 17 -7.576 3.990 6.371 1.00 1.05 C ATOM 509 C4' DA B 17 -7.359 3.882 4.879 1.00 1.17 C ATOM 510 O4' DA B 17 -6.182 4.631 4.515 1.00 0.91 O ATOM 511 C3' DA B 17 -7.098 2.468 4.365 1.00 1.49 C ATOM 512 O3' DA B 17 -8.318 1.863 3.920 1.00 1.98 O ATOM 513 C2' DA B 17 -6.154 2.674 3.189 1.00 0.92 C ATOM 514 C1' DA B 17 -5.682 4.118 3.294 1.00 0.81 C ATOM 515 N9 DA B 17 -4.227 4.252 3.306 1.00 0.73 N ATOM 516 C8 DA B 17 -3.371 3.956 4.335 1.00 0.76 C ATOM 517 N7 DA B 17 -2.109 4.165 4.050 1.00 0.70 N ATOM 518 C5 DA B 17 -2.136 4.626 2.742 1.00 0.60 C ATOM 519 C6 DA B 17 -1.119 5.022 1.856 1.00 0.51 C ATOM 520 N6 DA B 17 0.177 5.027 2.174 1.00 0.52 N ATOM 521 N1 DA B 17 -1.483 5.421 0.618 1.00 0.42 N ATOM 522 C2 DA B 17 -2.786 5.430 0.306 1.00 0.46 C ATOM 523 N3 DA B 17 -3.834 5.089 1.053 1.00 0.56 N ATOM 524 C4 DA B 17 -3.434 4.688 2.272 1.00 0.62 C ATOM 0 H5' DA B 17 -7.632 5.039 6.662 1.00 1.05 H new ATOM 0 H5'' DA B 17 -8.528 3.533 6.641 1.00 1.05 H new ATOM 0 H4' DA B 17 -8.287 4.250 4.441 1.00 1.17 H new ATOM 0 H3' DA B 17 -6.685 1.812 5.131 1.00 1.49 H new ATOM 0 H2' DA B 17 -5.313 1.982 3.235 1.00 0.92 H new ATOM 0 H2'' DA B 17 -6.663 2.495 2.242 1.00 0.92 H new ATOM 0 H1' DA B 17 -6.045 4.657 2.419 1.00 0.81 H new ATOM 0 H8 DA B 17 -3.706 3.585 5.292 1.00 0.76 H new ATOM 0 H61 DA B 17 0.870 5.325 1.487 1.00 0.52 H new ATOM 0 H62 DA B 17 0.475 4.732 3.104 1.00 0.52 H new ATOM 0 H2 DA B 17 -3.020 5.761 -0.695 1.00 0.46 H new ATOM 536 P DC B 18 -8.276 0.454 3.145 1.00 2.35 P ATOM 537 OP1 DC B 18 -9.652 -0.100 3.105 1.00 2.93 O ATOM 538 OP2 DC B 18 -7.177 -0.355 3.734 1.00 2.41 O ATOM 539 O5' DC B 18 -7.852 0.840 1.658 1.00 2.02 O ATOM 540 C5' DC B 18 -8.792 1.415 0.747 1.00 2.14 C ATOM 541 C4' DC B 18 -8.102 1.802 -0.540 1.00 1.75 C ATOM 542 O4' DC B 18 -6.871 2.486 -0.224 1.00 1.41 O ATOM 543 C3' DC B 18 -7.699 0.632 -1.432 1.00 1.51 C ATOM 544 O3' DC B 18 -8.731 0.355 -2.384 1.00 1.66 O ATOM 545 C2' DC B 18 -6.448 1.135 -2.135 1.00 1.09 C ATOM 546 C1' DC B 18 -5.887 2.215 -1.212 1.00 1.15 C ATOM 547 N1 DC B 18 -4.647 1.824 -0.521 1.00 0.99 N ATOM 548 C2 DC B 18 -3.419 2.072 -1.143 1.00 0.83 C ATOM 549 O2 DC B 18 -3.407 2.630 -2.251 1.00 0.87 O ATOM 550 N3 DC B 18 -2.277 1.701 -0.522 1.00 0.68 N ATOM 551 C4 DC B 18 -2.331 1.115 0.676 1.00 0.69 C ATOM 552 N4 DC B 18 -1.180 0.775 1.254 1.00 0.57 N ATOM 553 C5 DC B 18 -3.565 0.855 1.334 1.00 0.87 C ATOM 554 C6 DC B 18 -4.688 1.221 0.705 1.00 1.00 C ATOM 0 H5' DC B 18 -9.256 2.292 1.197 1.00 2.14 H new ATOM 0 H5'' DC B 18 -9.591 0.703 0.540 1.00 2.14 H new ATOM 0 H4' DC B 18 -8.831 2.409 -1.077 1.00 1.75 H new ATOM 0 H3' DC B 18 -7.533 -0.292 -0.878 1.00 1.51 H new ATOM 0 H2' DC B 18 -5.728 0.330 -2.285 1.00 1.09 H new ATOM 0 H2'' DC B 18 -6.683 1.540 -3.119 1.00 1.09 H new ATOM 0 H1' DC B 18 -5.646 3.079 -1.831 1.00 1.15 H new ATOM 0 H41 DC B 18 -1.182 0.325 2.170 1.00 0.57 H new ATOM 0 H42 DC B 18 -0.296 0.964 0.781 1.00 0.57 H new ATOM 0 H5 DC B 18 -3.594 0.381 2.304 1.00 0.87 H new ATOM 0 H6 DC B 18 -5.643 1.037 1.174 1.00 1.00 H new ATOM 566 P DC B 19 -9.234 -1.158 -2.599 1.00 1.64 P ATOM 567 OP1 DC B 19 -10.280 -1.131 -3.654 1.00 1.78 O ATOM 568 OP2 DC B 19 -9.550 -1.737 -1.268 1.00 1.87 O ATOM 569 O5' DC B 19 -7.954 -1.911 -3.178 1.00 1.21 O ATOM 570 C5' DC B 19 -7.717 -1.986 -4.586 1.00 0.96 C ATOM 571 C4' DC B 19 -6.687 -3.050 -4.885 1.00 0.68 C ATOM 572 O4' DC B 19 -5.371 -2.515 -4.632 1.00 0.68 O ATOM 573 C3' DC B 19 -6.779 -4.303 -4.021 1.00 0.79 C ATOM 574 O3' DC B 19 -7.632 -5.268 -4.652 1.00 1.10 O ATOM 575 C2' DC B 19 -5.343 -4.796 -3.964 1.00 0.69 C ATOM 576 C1' DC B 19 -4.491 -3.559 -4.242 1.00 0.69 C ATOM 577 N1 DC B 19 -3.712 -3.078 -3.089 1.00 0.61 N ATOM 578 C2 DC B 19 -2.318 -3.034 -3.188 1.00 0.50 C ATOM 579 O2 DC B 19 -1.777 -3.424 -4.233 1.00 0.45 O ATOM 580 N3 DC B 19 -1.596 -2.569 -2.144 1.00 0.44 N ATOM 581 C4 DC B 19 -2.214 -2.168 -1.031 1.00 0.49 C ATOM 582 N4 DC B 19 -1.462 -1.724 -0.025 1.00 0.43 N ATOM 583 C5 DC B 19 -3.633 -2.208 -0.901 1.00 0.60 C ATOM 584 C6 DC B 19 -4.336 -2.667 -1.944 1.00 0.66 C ATOM 0 H5' DC B 19 -7.372 -1.021 -4.956 1.00 0.96 H new ATOM 0 H5'' DC B 19 -8.647 -2.213 -5.107 1.00 0.96 H new ATOM 0 H4' DC B 19 -6.874 -3.329 -5.922 1.00 0.68 H new ATOM 0 H3' DC B 19 -7.199 -4.124 -3.031 1.00 0.79 H new ATOM 0 H2' DC B 19 -5.111 -5.225 -2.989 1.00 0.69 H new ATOM 0 H2'' DC B 19 -5.163 -5.574 -4.705 1.00 0.69 H new ATOM 0 H1' DC B 19 -3.770 -3.839 -5.010 1.00 0.69 H new ATOM 0 H41 DC B 19 -1.901 -1.410 0.840 1.00 0.43 H new ATOM 0 H42 DC B 19 -0.447 -1.698 -0.120 1.00 0.43 H new ATOM 0 H5 DC B 19 -4.122 -1.881 0.004 1.00 0.60 H new ATOM 0 H6 DC B 19 -5.413 -2.713 -1.880 1.00 0.66 H new ATOM 596 P DA B 20 -7.718 -6.765 -4.071 1.00 1.16 P ATOM 597 OP1 DA B 20 -9.041 -7.314 -4.464 1.00 1.25 O ATOM 598 OP2 DA B 20 -7.330 -6.745 -2.636 1.00 1.24 O ATOM 599 O5' DA B 20 -6.596 -7.557 -4.882 1.00 1.15 O ATOM 600 C5' DA B 20 -6.495 -7.439 -6.303 1.00 1.15 C ATOM 601 C4' DA B 20 -5.073 -7.685 -6.753 1.00 1.12 C ATOM 602 O4' DA B 20 -4.163 -7.014 -5.847 1.00 1.04 O ATOM 603 C3' DA B 20 -4.638 -9.149 -6.758 1.00 1.17 C ATOM 604 O3' DA B 20 -3.675 -9.374 -7.793 1.00 1.19 O ATOM 605 C2' DA B 20 -4.010 -9.322 -5.388 1.00 1.08 C ATOM 606 C1' DA B 20 -3.370 -7.964 -5.148 1.00 1.00 C ATOM 607 N9 DA B 20 -3.324 -7.557 -3.745 1.00 0.94 N ATOM 608 C8 DA B 20 -4.353 -7.584 -2.837 1.00 1.02 C ATOM 609 N7 DA B 20 -4.022 -7.137 -1.650 1.00 0.95 N ATOM 610 C5 DA B 20 -2.683 -6.800 -1.784 1.00 0.80 C ATOM 611 C6 DA B 20 -1.750 -6.272 -0.879 1.00 0.67 C ATOM 612 N6 DA B 20 -2.042 -5.968 0.384 1.00 0.68 N ATOM 613 N1 DA B 20 -0.492 -6.060 -1.321 1.00 0.55 N ATOM 614 C2 DA B 20 -0.205 -6.355 -2.595 1.00 0.58 C ATOM 615 N3 DA B 20 -0.998 -6.853 -3.544 1.00 0.70 N ATOM 616 C4 DA B 20 -2.238 -7.056 -3.067 1.00 0.80 C ATOM 0 H5' DA B 20 -6.815 -6.445 -6.615 1.00 1.15 H new ATOM 0 H5'' DA B 20 -7.164 -8.154 -6.782 1.00 1.15 H new ATOM 0 H4' DA B 20 -5.042 -7.314 -7.778 1.00 1.12 H new ATOM 0 H3' DA B 20 -5.453 -9.848 -6.944 1.00 1.17 H new ATOM 0 H2' DA B 20 -4.754 -9.561 -4.628 1.00 1.08 H new ATOM 0 H2'' DA B 20 -3.274 -10.126 -5.377 1.00 1.08 H new ATOM 0 H1' DA B 20 -2.336 -8.023 -5.487 1.00 1.00 H new ATOM 0 H8 DA B 20 -5.344 -7.940 -3.078 1.00 1.02 H new ATOM 0 H61 DA B 20 -1.321 -5.586 0.996 1.00 0.68 H new ATOM 0 H62 DA B 20 -2.987 -6.117 0.739 1.00 0.68 H new ATOM 0 H2 DA B 20 0.814 -6.162 -2.897 1.00 0.58 H new ATOM 628 P DG B 21 -3.474 -10.854 -8.392 1.00 1.26 P ATOM 629 OP1 DG B 21 -4.033 -10.874 -9.767 1.00 1.40 O ATOM 630 OP2 DG B 21 -3.972 -11.825 -7.384 1.00 1.27 O ATOM 631 O5' DG B 21 -1.892 -11.016 -8.490 1.00 1.20 O ATOM 632 C5' DG B 21 -1.133 -10.259 -9.435 1.00 1.23 C ATOM 633 C4' DG B 21 0.309 -10.161 -8.992 1.00 1.14 C ATOM 634 O4' DG B 21 0.403 -9.239 -7.880 1.00 1.01 O ATOM 635 C3' DG B 21 0.924 -11.464 -8.487 1.00 1.06 C ATOM 636 O3' DG B 21 1.562 -12.167 -9.559 1.00 1.15 O ATOM 637 C2' DG B 21 1.945 -10.979 -7.475 1.00 0.96 C ATOM 638 C1' DG B 21 1.250 -9.770 -6.869 1.00 0.93 C ATOM 639 N9 DG B 21 0.422 -10.073 -5.705 1.00 0.84 N ATOM 640 C8 DG B 21 -0.827 -10.642 -5.704 1.00 0.87 C ATOM 641 N7 DG B 21 -1.327 -10.786 -4.508 1.00 0.79 N ATOM 642 C5 DG B 21 -0.345 -10.283 -3.666 1.00 0.69 C ATOM 643 C6 DG B 21 -0.316 -10.172 -2.252 1.00 0.57 C ATOM 644 O6 DG B 21 -1.180 -10.508 -1.436 1.00 0.54 O ATOM 645 N1 DG B 21 0.873 -9.602 -1.808 1.00 0.50 N ATOM 646 C2 DG B 21 1.900 -9.193 -2.617 1.00 0.55 C ATOM 647 N2 DG B 21 2.963 -8.671 -1.996 1.00 0.48 N ATOM 648 N3 DG B 21 1.889 -9.292 -3.935 1.00 0.66 N ATOM 649 C4 DG B 21 0.743 -9.841 -4.389 1.00 0.72 C ATOM 0 H5' DG B 21 -1.558 -9.260 -9.536 1.00 1.23 H new ATOM 0 H5'' DG B 21 -1.188 -10.730 -10.416 1.00 1.23 H new ATOM 0 H4' DG B 21 0.848 -9.849 -9.886 1.00 1.14 H new ATOM 0 H3' DG B 21 0.196 -12.158 -8.067 1.00 1.06 H new ATOM 0 H2' DG B 21 2.167 -11.739 -6.725 1.00 0.96 H new ATOM 0 H2'' DG B 21 2.890 -10.711 -7.947 1.00 0.96 H new ATOM 0 H1' DG B 21 2.022 -9.081 -6.527 1.00 0.93 H new ATOM 0 H8 DG B 21 -1.344 -10.941 -6.604 1.00 0.87 H new ATOM 0 H1 DG B 21 0.989 -9.479 -0.802 1.00 0.50 H new ATOM 0 H21 DG B 21 3.763 -8.347 -2.540 1.00 0.48 H new ATOM 0 H22 DG B 21 2.974 -8.597 -0.979 1.00 0.48 H new ATOM 661 P DA B 22 1.557 -13.775 -9.576 1.00 1.09 P ATOM 662 OP1 DA B 22 2.088 -14.203 -10.896 1.00 1.22 O ATOM 663 OP2 DA B 22 0.218 -14.245 -9.136 1.00 1.01 O ATOM 664 O5' DA B 22 2.620 -14.177 -8.459 1.00 1.00 O ATOM 665 C5' DA B 22 3.899 -13.544 -8.396 1.00 1.10 C ATOM 666 C4' DA B 22 4.606 -13.926 -7.118 1.00 1.18 C ATOM 667 O4' DA B 22 4.140 -13.081 -6.041 1.00 1.34 O ATOM 668 C3' DA B 22 4.344 -15.352 -6.647 1.00 0.98 C ATOM 669 O3' DA B 22 5.317 -16.239 -7.208 1.00 1.00 O ATOM 670 C2' DA B 22 4.505 -15.246 -5.143 1.00 1.06 C ATOM 671 C1' DA B 22 4.011 -13.836 -4.841 1.00 1.16 C ATOM 672 N9 DA B 22 2.614 -13.757 -4.412 1.00 0.96 N ATOM 673 C8 DA B 22 1.489 -13.685 -5.198 1.00 0.94 C ATOM 674 N7 DA B 22 0.373 -13.602 -4.516 1.00 0.84 N ATOM 675 C5 DA B 22 0.789 -13.627 -3.191 1.00 0.74 C ATOM 676 C6 DA B 22 0.084 -13.571 -1.976 1.00 0.64 C ATOM 677 N6 DA B 22 -1.245 -13.470 -1.894 1.00 0.71 N ATOM 678 N1 DA B 22 0.799 -13.618 -0.832 1.00 0.55 N ATOM 679 C2 DA B 22 2.133 -13.720 -0.915 1.00 0.64 C ATOM 680 N3 DA B 22 2.908 -13.783 -1.995 1.00 0.81 N ATOM 681 C4 DA B 22 2.166 -13.729 -3.114 1.00 0.82 C ATOM 0 H5' DA B 22 3.780 -12.462 -8.445 1.00 1.10 H new ATOM 0 H5'' DA B 22 4.501 -13.838 -9.256 1.00 1.10 H new ATOM 0 H4' DA B 22 5.666 -13.818 -7.346 1.00 1.18 H new ATOM 0 H3' DA B 22 3.371 -15.744 -6.943 1.00 0.98 H new ATOM 0 H2' DA B 22 3.916 -16.000 -4.620 1.00 1.06 H new ATOM 0 H2'' DA B 22 5.542 -15.384 -4.838 1.00 1.06 H new ATOM 0 H1' DA B 22 4.609 -13.458 -4.012 1.00 1.16 H new ATOM 0 H8 DA B 22 1.522 -13.696 -6.277 1.00 0.94 H new ATOM 0 H61 DA B 22 -1.698 -13.434 -0.981 1.00 0.71 H new ATOM 0 H62 DA B 22 -1.807 -13.429 -2.744 1.00 0.71 H new ATOM 0 H2 DA B 22 2.654 -13.756 0.031 1.00 0.64 H new ATOM 693 P DG B 23 4.841 -17.556 -8.001 1.00 0.92 P ATOM 694 OP1 DG B 23 5.608 -17.603 -9.271 1.00 1.22 O ATOM 695 OP2 DG B 23 3.356 -17.591 -8.040 1.00 0.71 O ATOM 696 O5' DG B 23 5.343 -18.756 -7.082 1.00 0.83 O ATOM 697 C5' DG B 23 6.450 -18.591 -6.195 1.00 1.02 C ATOM 698 C4' DG B 23 6.083 -19.061 -4.807 1.00 1.06 C ATOM 699 O4' DG B 23 5.195 -18.105 -4.197 1.00 0.93 O ATOM 700 C3' DG B 23 5.320 -20.378 -4.748 1.00 0.98 C ATOM 701 O3' DG B 23 6.233 -21.481 -4.711 1.00 1.24 O ATOM 702 C2' DG B 23 4.551 -20.267 -3.442 1.00 0.93 C ATOM 703 C1' DG B 23 4.430 -18.761 -3.196 1.00 0.86 C ATOM 704 N9 DG B 23 3.064 -18.253 -3.269 1.00 0.61 N ATOM 705 C8 DG B 23 2.373 -17.882 -4.396 1.00 0.51 C ATOM 706 N7 DG B 23 1.161 -17.471 -4.145 1.00 0.31 N ATOM 707 C5 DG B 23 1.044 -17.579 -2.764 1.00 0.25 C ATOM 708 C6 DG B 23 -0.046 -17.282 -1.908 1.00 0.09 C ATOM 709 O6 DG B 23 -1.165 -16.850 -2.207 1.00 0.21 O ATOM 710 N1 DG B 23 0.262 -17.538 -0.577 1.00 0.17 N ATOM 711 C2 DG B 23 1.471 -18.022 -0.125 1.00 0.36 C ATOM 712 N2 DG B 23 1.599 -18.215 1.197 1.00 0.45 N ATOM 713 N3 DG B 23 2.493 -18.300 -0.915 1.00 0.52 N ATOM 714 C4 DG B 23 2.212 -18.059 -2.211 1.00 0.45 C ATOM 0 H5' DG B 23 6.748 -17.543 -6.165 1.00 1.02 H new ATOM 0 H5'' DG B 23 7.307 -19.155 -6.563 1.00 1.02 H new ATOM 0 H4' DG B 23 7.043 -19.182 -4.306 1.00 1.06 H new ATOM 0 H3' DG B 23 4.676 -20.549 -5.610 1.00 0.98 H new ATOM 0 H2' DG B 23 3.570 -20.737 -3.517 1.00 0.93 H new ATOM 0 H2'' DG B 23 5.079 -20.761 -2.627 1.00 0.93 H new ATOM 0 H1' DG B 23 4.783 -18.569 -2.183 1.00 0.86 H new ATOM 0 H8 DG B 23 2.791 -17.926 -5.391 1.00 0.51 H new ATOM 0 H1 DG B 23 -0.461 -17.354 0.118 1.00 0.17 H new ATOM 0 H21 DG B 23 2.475 -18.572 1.578 1.00 0.45 H new ATOM 0 H22 DG B 23 0.820 -18.005 1.821 1.00 0.45 H new ATOM 726 P DG B 24 5.750 -22.936 -5.198 1.00 1.33 P ATOM 727 OP1 DG B 24 6.948 -23.691 -5.647 1.00 1.62 O ATOM 728 OP2 DG B 24 4.608 -22.753 -6.130 1.00 1.12 O ATOM 729 O5' DG B 24 5.197 -23.623 -3.871 1.00 1.38 O ATOM 730 C5' DG B 24 6.001 -23.703 -2.693 1.00 1.53 C ATOM 731 C4' DG B 24 5.247 -24.409 -1.591 1.00 1.57 C ATOM 732 O4' DG B 24 4.149 -23.575 -1.154 1.00 1.33 O ATOM 733 C3' DG B 24 4.604 -25.734 -1.989 1.00 1.74 C ATOM 734 O3' DG B 24 5.507 -26.824 -1.783 1.00 2.04 O ATOM 735 C2' DG B 24 3.425 -25.833 -1.041 1.00 1.73 C ATOM 736 C1' DG B 24 3.018 -24.378 -0.832 1.00 1.43 C ATOM 737 N9 DG B 24 1.906 -23.939 -1.669 1.00 1.28 N ATOM 738 C8 DG B 24 1.838 -23.967 -3.041 1.00 1.20 C ATOM 739 N7 DG B 24 0.711 -23.511 -3.511 1.00 1.11 N ATOM 740 C5 DG B 24 -0.013 -23.157 -2.380 1.00 1.13 C ATOM 741 C6 DG B 24 -1.313 -22.601 -2.255 1.00 1.13 C ATOM 742 O6 DG B 24 -2.112 -22.301 -3.149 1.00 1.11 O ATOM 743 N1 DG B 24 -1.656 -22.398 -0.923 1.00 1.19 N ATOM 744 C2 DG B 24 -0.856 -22.691 0.149 1.00 1.24 C ATOM 745 N2 DG B 24 -1.370 -22.421 1.351 1.00 1.29 N ATOM 746 N3 DG B 24 0.356 -23.209 0.050 1.00 1.27 N ATOM 747 C4 DG B 24 0.711 -23.415 -1.235 1.00 1.22 C ATOM 0 H5' DG B 24 6.281 -22.701 -2.367 1.00 1.53 H new ATOM 0 H5'' DG B 24 6.925 -24.238 -2.911 1.00 1.53 H new ATOM 0 H4' DG B 24 6.002 -24.603 -0.829 1.00 1.57 H new ATOM 0 H3' DG B 24 4.323 -25.776 -3.041 1.00 1.74 H new ATOM 0 H2' DG B 24 2.613 -26.420 -1.470 1.00 1.73 H new ATOM 0 H2'' DG B 24 3.703 -26.312 -0.102 1.00 1.73 H new ATOM 0 HO3' DG B 24 5.072 -27.663 -2.043 1.00 2.04 H new ATOM 0 H1' DG B 24 2.688 -24.280 0.202 1.00 1.43 H new ATOM 0 H8 DG B 24 2.639 -24.331 -3.668 1.00 1.20 H new ATOM 0 H1 DG B 24 -2.575 -22.000 -0.729 1.00 1.19 H new ATOM 0 H21 DG B 24 -0.828 -22.615 2.193 1.00 1.29 H new ATOM 0 H22 DG B 24 -2.305 -22.021 1.428 1.00 1.29 H new TER 760 DG B 24 HETATM 761 PT 1PT A 13 3.825 1.411 -0.549 1.00 0.15 PT HETATM 762 N1 1PT A 13 3.722 3.240 0.314 1.00 0.29 N HETATM 763 N2 1PT A 13 4.553 0.780 1.234 1.00 0.19 N HETATM 764 C1 1PT A 13 3.829 3.054 1.839 1.00 0.25 C HETATM 765 C2 1PT A 13 4.911 2.017 2.084 1.00 0.26 C HETATM 766 C3 1PT A 13 5.033 1.706 3.539 1.00 0.26 C HETATM 767 C4 1PT A 13 5.400 2.995 4.361 1.00 0.34 C HETATM 768 C5 1PT A 13 4.263 4.090 4.047 1.00 0.32 C HETATM 769 C6 1PT A 13 4.129 4.335 2.562 1.00 0.36 C HETATM 0 H62 1PT A 13 5.051 4.770 2.175 1.00 0.36 H new HETATM 0 H61 1PT A 13 3.334 5.058 2.378 1.00 0.36 H new HETATM 0 H52 1PT A 13 3.308 3.751 4.449 1.00 0.32 H new HETATM 0 H51 1PT A 13 4.507 5.025 4.551 1.00 0.32 H new HETATM 0 H42 1PT A 13 5.439 2.774 5.428 1.00 0.34 H new HETATM 0 H41 1PT A 13 6.384 3.367 4.076 1.00 0.34 H new HETATM 0 H32 1PT A 13 4.094 1.291 3.906 1.00 0.26 H new HETATM 0 H31 1PT A 13 5.798 0.944 3.689 1.00 0.26 H new HETATM 0 H2 1PT A 13 5.891 2.389 1.786 1.00 0.26 H new HETATM 0 H1 1PT A 13 2.869 2.722 2.235 1.00 0.25 H new