USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=5 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 NoAdj-H: A 9 DC H42 : A 9 DC N4 : B 15 DA N6 :(H bumps) USER MOD NoAdj-H: B 15 DA H61 : B 15 DA N6 : A 9 DC N4 :(H bumps) USER MOD NoAdj-H: B 15 DA H62 : B 15 DA N6 : A 9 DC N4 :(H bumps) USER MOD Single : A 1 DC O5' : rot 13:sc= 0.364 USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.544 (180deg=-0.544) USER MOD Single : A 5 DT C7 :methyl 150:sc= -0.375 (180deg=-0.375) USER MOD Single : A 8 DT C7 :methyl -30:sc= -1.59 (180deg=-3.9!) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot -10:sc= 0.643 USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -11.283 -18.556 1.353 1.00 0.00 O ATOM 2 C5' DC A 1 -10.806 -18.323 2.681 1.00 0.00 C ATOM 3 C4' DC A 1 -9.298 -18.241 2.708 1.00 0.00 C ATOM 4 O4' DC A 1 -8.764 -19.041 1.636 1.00 0.00 O ATOM 5 C3' DC A 1 -8.722 -16.843 2.489 1.00 0.00 C ATOM 6 O3' DC A 1 -8.444 -16.226 3.752 1.00 0.00 O ATOM 7 C2' DC A 1 -7.431 -17.092 1.719 1.00 0.00 C ATOM 8 C1' DC A 1 -7.475 -18.561 1.304 1.00 0.00 C ATOM 9 N1 DC A 1 -7.262 -18.803 -0.132 1.00 0.00 N ATOM 10 C2 DC A 1 -6.075 -19.418 -0.546 1.00 0.00 C ATOM 11 O2 DC A 1 -5.231 -19.729 0.307 1.00 0.00 O ATOM 12 N3 DC A 1 -5.878 -19.656 -1.863 1.00 0.00 N ATOM 13 C4 DC A 1 -6.809 -19.300 -2.751 1.00 0.00 C ATOM 14 N4 DC A 1 -6.575 -19.556 -4.039 1.00 0.00 N ATOM 15 C5 DC A 1 -8.024 -18.667 -2.358 1.00 0.00 C ATOM 16 C6 DC A 1 -8.207 -18.440 -1.051 1.00 0.00 C ATOM 0 H5' DC A 1 -11.142 -19.125 3.338 1.00 0.00 H new ATOM 0 H5'' DC A 1 -11.231 -17.396 3.067 1.00 0.00 H new ATOM 0 H4' DC A 1 -9.022 -18.578 3.707 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.403 -16.179 1.957 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.363 -16.441 0.848 1.00 0.00 H new ATOM 0 H2'' DC A 1 -6.559 -16.886 2.340 1.00 0.00 H new ATOM 0 HO5' DC A 1 -10.534 -18.816 0.777 1.00 0.00 H new ATOM 0 H1' DC A 1 -6.661 -19.067 1.822 1.00 0.00 H new ATOM 0 H41 DC A 1 -7.265 -19.297 -4.744 1.00 0.00 H new ATOM 0 H42 DC A 1 -5.706 -20.011 -4.319 1.00 0.00 H new ATOM 0 H5 DC A 1 -8.769 -18.381 -3.086 1.00 0.00 H new ATOM 0 H6 DC A 1 -9.116 -17.962 -0.717 1.00 0.00 H new ATOM 29 P DC A 2 -8.066 -14.664 3.815 1.00 0.00 P ATOM 30 OP1 DC A 2 -8.963 -14.006 4.799 1.00 0.00 O ATOM 31 OP2 DC A 2 -8.003 -14.151 2.423 1.00 0.00 O ATOM 32 O5' DC A 2 -6.586 -14.655 4.406 1.00 0.00 O ATOM 33 C5' DC A 2 -6.181 -15.612 5.386 1.00 0.00 C ATOM 34 C4' DC A 2 -4.690 -15.845 5.305 1.00 0.00 C ATOM 35 O4' DC A 2 -4.400 -16.717 4.185 1.00 0.00 O ATOM 36 C3' DC A 2 -3.850 -14.597 5.058 1.00 0.00 C ATOM 37 O3' DC A 2 -3.500 -13.969 6.297 1.00 0.00 O ATOM 38 C2' DC A 2 -2.628 -15.167 4.366 1.00 0.00 C ATOM 39 C1' DC A 2 -3.247 -16.247 3.493 1.00 0.00 C ATOM 40 N1 DC A 2 -3.674 -15.776 2.164 1.00 0.00 N ATOM 41 C2 DC A 2 -2.858 -16.036 1.059 1.00 0.00 C ATOM 42 O2 DC A 2 -1.798 -16.657 1.228 1.00 0.00 O ATOM 43 N3 DC A 2 -3.244 -15.605 -0.163 1.00 0.00 N ATOM 44 C4 DC A 2 -4.394 -14.942 -0.303 1.00 0.00 C ATOM 45 N4 DC A 2 -4.738 -14.541 -1.526 1.00 0.00 N ATOM 46 C5 DC A 2 -5.243 -14.662 0.805 1.00 0.00 C ATOM 47 C6 DC A 2 -4.848 -15.093 2.008 1.00 0.00 C ATOM 0 H5' DC A 2 -6.712 -16.551 5.229 1.00 0.00 H new ATOM 0 H5'' DC A 2 -6.447 -15.258 6.382 1.00 0.00 H new ATOM 0 H4' DC A 2 -4.429 -16.255 6.281 1.00 0.00 H new ATOM 0 H3' DC A 2 -4.358 -13.827 4.477 1.00 0.00 H new ATOM 0 H2' DC A 2 -2.103 -14.415 3.777 1.00 0.00 H new ATOM 0 H2'' DC A 2 -1.909 -15.576 5.076 1.00 0.00 H new ATOM 0 H1' DC A 2 -2.490 -17.012 3.320 1.00 0.00 H new ATOM 0 H41 DC A 2 -5.610 -14.032 -1.669 1.00 0.00 H new ATOM 0 H42 DC A 2 -4.129 -14.743 -2.319 1.00 0.00 H new ATOM 0 H5 DC A 2 -6.170 -14.122 0.679 1.00 0.00 H new ATOM 0 H6 DC A 2 -5.467 -14.898 2.871 1.00 0.00 H new ATOM 59 P DT A 3 -3.657 -12.375 6.459 1.00 0.00 P ATOM 60 OP1 DT A 3 -4.148 -12.098 7.832 1.00 0.00 O ATOM 61 OP2 DT A 3 -4.419 -11.863 5.290 1.00 0.00 O ATOM 62 O5' DT A 3 -2.164 -11.829 6.342 1.00 0.00 O ATOM 63 C5' DT A 3 -1.081 -12.499 6.990 1.00 0.00 C ATOM 64 C4' DT A 3 0.041 -12.745 6.009 1.00 0.00 C ATOM 65 O4' DT A 3 -0.494 -13.361 4.818 1.00 0.00 O ATOM 66 C3' DT A 3 0.750 -11.492 5.511 1.00 0.00 C ATOM 67 O3' DT A 3 1.836 -11.155 6.383 1.00 0.00 O ATOM 68 C2' DT A 3 1.267 -11.909 4.144 1.00 0.00 C ATOM 69 C1' DT A 3 0.323 -13.029 3.702 1.00 0.00 C ATOM 70 N1 DT A 3 -0.564 -12.669 2.575 1.00 0.00 N ATOM 71 C2 DT A 3 -0.049 -12.767 1.303 1.00 0.00 C ATOM 72 O2 DT A 3 1.092 -13.127 1.072 1.00 0.00 O ATOM 73 N3 DT A 3 -0.923 -12.427 0.304 1.00 0.00 N ATOM 74 C4 DT A 3 -2.227 -12.008 0.445 1.00 0.00 C ATOM 75 O4 DT A 3 -2.894 -11.744 -0.551 1.00 0.00 O ATOM 76 C5 DT A 3 -2.705 -11.923 1.807 1.00 0.00 C ATOM 77 C7 DT A 3 -4.107 -11.465 2.056 1.00 0.00 C ATOM 78 C6 DT A 3 -1.862 -12.252 2.797 1.00 0.00 C ATOM 0 H5' DT A 3 -1.426 -13.446 7.405 1.00 0.00 H new ATOM 0 H5'' DT A 3 -0.719 -11.898 7.825 1.00 0.00 H new ATOM 0 H4' DT A 3 0.753 -13.359 6.561 1.00 0.00 H new ATOM 0 H3' DT A 3 0.105 -10.614 5.474 1.00 0.00 H new ATOM 0 H2' DT A 3 1.250 -11.075 3.442 1.00 0.00 H new ATOM 0 H2'' DT A 3 2.298 -12.258 4.199 1.00 0.00 H new ATOM 0 H1' DT A 3 0.944 -13.855 3.355 1.00 0.00 H new ATOM 0 H3 DT A 3 -0.568 -12.491 -0.650 1.00 0.00 H new ATOM 0 H71 DT A 3 -4.486 -11.931 2.966 1.00 0.00 H new ATOM 0 H72 DT A 3 -4.121 -10.381 2.171 1.00 0.00 H new ATOM 0 H73 DT A 3 -4.738 -11.749 1.213 1.00 0.00 H new ATOM 0 H6 DT A 3 -2.215 -12.188 3.816 1.00 0.00 H new ATOM 91 P DC A 4 2.433 -9.662 6.377 1.00 0.00 P ATOM 92 OP1 DC A 4 3.486 -9.601 7.423 1.00 0.00 O ATOM 93 OP2 DC A 4 1.301 -8.702 6.420 1.00 0.00 O ATOM 94 O5' DC A 4 3.134 -9.532 4.952 1.00 0.00 O ATOM 95 C5' DC A 4 4.433 -10.079 4.712 1.00 0.00 C ATOM 96 C4' DC A 4 5.209 -9.187 3.770 1.00 0.00 C ATOM 97 O4' DC A 4 4.594 -9.241 2.461 1.00 0.00 O ATOM 98 C3' DC A 4 5.231 -7.709 4.153 1.00 0.00 C ATOM 99 O3' DC A 4 6.442 -7.088 3.706 1.00 0.00 O ATOM 100 C2' DC A 4 4.036 -7.143 3.408 1.00 0.00 C ATOM 101 C1' DC A 4 3.957 -8.007 2.156 1.00 0.00 C ATOM 102 N1 DC A 4 2.585 -8.309 1.708 1.00 0.00 N ATOM 103 C2 DC A 4 2.292 -8.258 0.341 1.00 0.00 C ATOM 104 O2 DC A 4 3.191 -7.955 -0.458 1.00 0.00 O ATOM 105 N3 DC A 4 1.036 -8.537 -0.075 1.00 0.00 N ATOM 106 C4 DC A 4 0.093 -8.853 0.815 1.00 0.00 C ATOM 107 N4 DC A 4 -1.132 -9.114 0.360 1.00 0.00 N ATOM 108 C5 DC A 4 0.364 -8.913 2.212 1.00 0.00 C ATOM 109 C6 DC A 4 1.612 -8.638 2.611 1.00 0.00 C ATOM 0 H5' DC A 4 4.342 -11.078 4.286 1.00 0.00 H new ATOM 0 H5'' DC A 4 4.972 -10.182 5.654 1.00 0.00 H new ATOM 0 H4' DC A 4 6.231 -9.564 3.804 1.00 0.00 H new ATOM 0 H3' DC A 4 5.186 -7.544 5.230 1.00 0.00 H new ATOM 0 H2' DC A 4 3.124 -7.211 4.001 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.178 -6.091 3.161 1.00 0.00 H new ATOM 0 H1' DC A 4 4.432 -7.450 1.348 1.00 0.00 H new ATOM 0 H41 DC A 4 -1.877 -9.359 1.012 1.00 0.00 H new ATOM 0 H42 DC A 4 -1.325 -9.069 -0.641 1.00 0.00 H new ATOM 0 H5 DC A 4 -0.408 -9.170 2.922 1.00 0.00 H new ATOM 0 H6 DC A 4 1.854 -8.677 3.663 1.00 0.00 H new ATOM 121 P DT A 5 6.890 -5.673 4.327 1.00 0.00 P ATOM 122 OP1 DT A 5 8.222 -5.844 4.963 1.00 0.00 O ATOM 123 OP2 DT A 5 5.756 -5.146 5.131 1.00 0.00 O ATOM 124 O5' DT A 5 7.057 -4.727 3.055 1.00 0.00 O ATOM 125 C5' DT A 5 8.007 -5.030 2.031 1.00 0.00 C ATOM 126 C4' DT A 5 7.559 -4.443 0.712 1.00 0.00 C ATOM 127 O4' DT A 5 6.211 -4.895 0.435 1.00 0.00 O ATOM 128 C3' DT A 5 7.520 -2.912 0.661 1.00 0.00 C ATOM 129 O3' DT A 5 8.095 -2.445 -0.564 1.00 0.00 O ATOM 130 C2' DT A 5 6.038 -2.580 0.721 1.00 0.00 C ATOM 131 C1' DT A 5 5.394 -3.795 0.084 1.00 0.00 C ATOM 132 N1 DT A 5 4.022 -4.087 0.547 1.00 0.00 N ATOM 133 C2 DT A 5 3.053 -4.341 -0.398 1.00 0.00 C ATOM 134 O2 DT A 5 3.271 -4.321 -1.598 1.00 0.00 O ATOM 135 N3 DT A 5 1.814 -4.618 0.113 1.00 0.00 N ATOM 136 C4 DT A 5 1.451 -4.659 1.442 1.00 0.00 C ATOM 137 O4 DT A 5 0.297 -4.940 1.751 1.00 0.00 O ATOM 138 C5 DT A 5 2.512 -4.374 2.381 1.00 0.00 C ATOM 139 C7 DT A 5 2.203 -4.379 3.845 1.00 0.00 C ATOM 140 C6 DT A 5 3.733 -4.106 1.897 1.00 0.00 C ATOM 0 H5' DT A 5 8.119 -6.110 1.937 1.00 0.00 H new ATOM 0 H5'' DT A 5 8.984 -4.630 2.302 1.00 0.00 H new ATOM 0 H4' DT A 5 8.299 -4.778 -0.015 1.00 0.00 H new ATOM 0 H3' DT A 5 8.084 -2.444 1.467 1.00 0.00 H new ATOM 0 H2' DT A 5 5.698 -2.433 1.746 1.00 0.00 H new ATOM 0 H2'' DT A 5 5.806 -1.666 0.174 1.00 0.00 H new ATOM 0 H1' DT A 5 5.314 -3.606 -0.986 1.00 0.00 H new ATOM 0 H3 DT A 5 1.078 -4.816 -0.565 1.00 0.00 H new ATOM 0 H71 DT A 5 3.090 -4.678 4.403 1.00 0.00 H new ATOM 0 H72 DT A 5 1.899 -3.380 4.156 1.00 0.00 H new ATOM 0 H73 DT A 5 1.395 -5.083 4.044 1.00 0.00 H new ATOM 0 H6 DT A 5 4.529 -3.895 2.596 1.00 0.00 H new ATOM 153 P DG A 6 8.692 -0.954 -0.651 1.00 0.00 P ATOM 154 OP1 DG A 6 10.173 -1.043 -0.658 1.00 0.00 O ATOM 155 OP2 DG A 6 8.010 -0.131 0.381 1.00 0.00 O ATOM 156 O5' DG A 6 8.207 -0.430 -2.076 1.00 0.00 O ATOM 157 C5' DG A 6 8.757 -0.964 -3.281 1.00 0.00 C ATOM 158 C4' DG A 6 7.737 -0.903 -4.393 1.00 0.00 C ATOM 159 O4' DG A 6 6.652 -1.818 -4.099 1.00 0.00 O ATOM 160 C3' DG A 6 7.065 0.454 -4.585 1.00 0.00 C ATOM 161 O3' DG A 6 7.812 1.266 -5.497 1.00 0.00 O ATOM 162 C2' DG A 6 5.718 0.067 -5.161 1.00 0.00 C ATOM 163 C1' DG A 6 5.403 -1.191 -4.373 1.00 0.00 C ATOM 164 N9 DG A 6 4.741 -0.925 -3.101 1.00 0.00 N ATOM 165 C8 DG A 6 5.324 -0.431 -1.963 1.00 0.00 C ATOM 166 N7 DG A 6 4.484 -0.266 -0.980 1.00 0.00 N ATOM 167 C5 DG A 6 3.270 -0.700 -1.498 1.00 0.00 C ATOM 168 C6 DG A 6 1.988 -0.763 -0.898 1.00 0.00 C ATOM 169 O6 DG A 6 1.666 -0.458 0.253 1.00 0.00 O ATOM 170 N1 DG A 6 1.030 -1.245 -1.783 1.00 0.00 N ATOM 171 C2 DG A 6 1.276 -1.625 -3.082 1.00 0.00 C ATOM 172 N2 DG A 6 0.225 -2.066 -3.793 1.00 0.00 N ATOM 173 N3 DG A 6 2.470 -1.577 -3.650 1.00 0.00 N ATOM 174 C4 DG A 6 3.412 -1.105 -2.808 1.00 0.00 C ATOM 0 H5' DG A 6 9.069 -1.996 -3.121 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.647 -0.402 -3.563 1.00 0.00 H new ATOM 0 H4' DG A 6 8.304 -1.143 -5.292 1.00 0.00 H new ATOM 0 H3' DG A 6 6.990 1.045 -3.672 1.00 0.00 H new ATOM 0 H2' DG A 6 4.969 0.844 -5.010 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.769 -0.122 -6.233 1.00 0.00 H new ATOM 0 H1' DG A 6 4.723 -1.807 -4.961 1.00 0.00 H new ATOM 0 H8 DG A 6 6.377 -0.201 -1.888 1.00 0.00 H new ATOM 0 H1 DG A 6 0.071 -1.323 -1.443 1.00 0.00 H new ATOM 0 H21 DG A 6 0.352 -2.360 -4.761 1.00 0.00 H new ATOM 0 H22 DG A 6 -0.700 -2.106 -3.364 1.00 0.00 H new ATOM 186 P DG A 7 8.194 2.775 -5.089 1.00 0.00 P ATOM 187 OP1 DG A 7 9.097 3.306 -6.140 1.00 0.00 O ATOM 188 OP2 DG A 7 8.634 2.783 -3.671 1.00 0.00 O ATOM 189 O5' DG A 7 6.809 3.560 -5.180 1.00 0.00 O ATOM 190 C5' DG A 7 5.858 3.245 -6.195 1.00 0.00 C ATOM 191 C4' DG A 7 4.581 4.025 -5.988 1.00 0.00 C ATOM 192 O4' DG A 7 3.621 3.183 -5.313 1.00 0.00 O ATOM 193 C3' DG A 7 4.698 5.266 -5.111 1.00 0.00 C ATOM 194 O3' DG A 7 5.062 6.406 -5.896 1.00 0.00 O ATOM 195 C2' DG A 7 3.291 5.412 -4.560 1.00 0.00 C ATOM 196 C1' DG A 7 2.777 3.978 -4.490 1.00 0.00 C ATOM 197 N9 DG A 7 2.801 3.415 -3.145 1.00 0.00 N ATOM 198 C8 DG A 7 3.871 2.840 -2.506 1.00 0.00 C ATOM 199 N7 DG A 7 3.591 2.444 -1.293 1.00 0.00 N ATOM 200 C5 DG A 7 2.254 2.774 -1.126 1.00 0.00 C ATOM 201 C6 DG A 7 1.396 2.584 -0.014 1.00 0.00 C ATOM 202 O6 DG A 7 1.659 2.079 1.083 1.00 0.00 O ATOM 203 N1 DG A 7 0.113 3.055 -0.270 1.00 0.00 N ATOM 204 C2 DG A 7 -0.290 3.641 -1.447 1.00 0.00 C ATOM 205 N2 DG A 7 -1.564 4.041 -1.505 1.00 0.00 N ATOM 206 N3 DG A 7 0.500 3.823 -2.490 1.00 0.00 N ATOM 207 C4 DG A 7 1.750 3.368 -2.261 1.00 0.00 C ATOM 0 H5' DG A 7 5.644 2.176 -6.181 1.00 0.00 H new ATOM 0 H5'' DG A 7 6.275 3.474 -7.176 1.00 0.00 H new ATOM 0 H4' DG A 7 4.296 4.341 -6.991 1.00 0.00 H new ATOM 0 H3' DG A 7 5.461 5.186 -4.336 1.00 0.00 H new ATOM 0 H2' DG A 7 3.293 5.885 -3.578 1.00 0.00 H new ATOM 0 H2'' DG A 7 2.669 6.029 -5.209 1.00 0.00 H new ATOM 0 H1' DG A 7 1.737 3.983 -4.817 1.00 0.00 H new ATOM 0 H8 DG A 7 4.845 2.727 -2.959 1.00 0.00 H new ATOM 0 H1 DG A 7 -0.581 2.959 0.471 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.922 4.483 -2.352 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.178 3.904 -0.702 1.00 0.00 H new ATOM 219 P DT A 8 5.237 7.842 -5.190 1.00 0.00 P ATOM 220 OP1 DT A 8 6.053 8.683 -6.101 1.00 0.00 O ATOM 221 OP2 DT A 8 5.687 7.627 -3.791 1.00 0.00 O ATOM 222 O5' DT A 8 3.758 8.437 -5.156 1.00 0.00 O ATOM 223 C5' DT A 8 2.896 8.310 -6.288 1.00 0.00 C ATOM 224 C4' DT A 8 1.447 8.285 -5.856 1.00 0.00 C ATOM 225 O4' DT A 8 1.323 7.464 -4.671 1.00 0.00 O ATOM 226 C3' DT A 8 0.846 9.645 -5.491 1.00 0.00 C ATOM 227 O3' DT A 8 -0.518 9.712 -5.927 1.00 0.00 O ATOM 228 C2' DT A 8 0.933 9.671 -3.977 1.00 0.00 C ATOM 229 C1' DT A 8 0.739 8.210 -3.618 1.00 0.00 C ATOM 230 N1 DT A 8 1.388 7.806 -2.358 1.00 0.00 N ATOM 231 C2 DT A 8 0.586 7.495 -1.286 1.00 0.00 C ATOM 232 O2 DT A 8 -0.630 7.515 -1.338 1.00 0.00 O ATOM 233 N3 DT A 8 1.261 7.155 -0.145 1.00 0.00 N ATOM 234 C4 DT A 8 2.627 7.091 0.026 1.00 0.00 C ATOM 235 O4 DT A 8 3.090 6.754 1.114 1.00 0.00 O ATOM 236 C5 DT A 8 3.415 7.423 -1.142 1.00 0.00 C ATOM 237 C7 DT A 8 4.909 7.408 -1.028 1.00 0.00 C ATOM 238 C6 DT A 8 2.763 7.757 -2.272 1.00 0.00 C ATOM 0 H5' DT A 8 3.134 7.396 -6.832 1.00 0.00 H new ATOM 0 H5'' DT A 8 3.062 9.141 -6.973 1.00 0.00 H new ATOM 0 H4' DT A 8 0.907 7.906 -6.724 1.00 0.00 H new ATOM 0 H3' DT A 8 1.358 10.487 -5.956 1.00 0.00 H new ATOM 0 H2' DT A 8 1.894 10.051 -3.631 1.00 0.00 H new ATOM 0 H2'' DT A 8 0.163 10.304 -3.536 1.00 0.00 H new ATOM 0 H1' DT A 8 -0.328 8.033 -3.482 1.00 0.00 H new ATOM 0 H3 DT A 8 0.690 6.924 0.668 1.00 0.00 H new ATOM 0 H71 DT A 8 5.199 7.662 -0.008 1.00 0.00 H new ATOM 0 H72 DT A 8 5.283 6.414 -1.275 1.00 0.00 H new ATOM 0 H73 DT A 8 5.334 8.137 -1.718 1.00 0.00 H new ATOM 0 H6 DT A 8 3.343 7.997 -3.150 1.00 0.00 H new ATOM 251 P DC A 9 -1.402 11.017 -5.598 1.00 0.00 P ATOM 252 OP1 DC A 9 -2.420 11.151 -6.671 1.00 0.00 O ATOM 253 OP2 DC A 9 -0.489 12.153 -5.310 1.00 0.00 O ATOM 254 O5' DC A 9 -2.158 10.637 -4.248 1.00 0.00 O ATOM 255 C5' DC A 9 -3.055 9.526 -4.193 1.00 0.00 C ATOM 256 C4' DC A 9 -3.747 9.483 -2.851 1.00 0.00 C ATOM 257 O4' DC A 9 -2.775 9.135 -1.846 1.00 0.00 O ATOM 258 C3' DC A 9 -4.359 10.815 -2.407 1.00 0.00 C ATOM 259 O3' DC A 9 -5.786 10.747 -2.499 1.00 0.00 O ATOM 260 C2' DC A 9 -3.925 10.979 -0.954 1.00 0.00 C ATOM 261 C1' DC A 9 -3.146 9.715 -0.615 1.00 0.00 C ATOM 262 N1 DC A 9 -1.914 9.937 0.161 1.00 0.00 N ATOM 263 C2 DC A 9 -1.941 9.757 1.549 1.00 0.00 C ATOM 264 O2 DC A 9 -3.005 9.424 2.092 1.00 0.00 O ATOM 265 N3 DC A 9 -0.807 9.948 2.262 1.00 0.00 N ATOM 266 C4 DC A 9 0.318 10.308 1.642 1.00 0.00 C ATOM 267 N4 DC A 9 1.409 10.492 2.384 1.00 0.00 N ATOM 268 C5 DC A 9 0.376 10.499 0.232 1.00 0.00 C ATOM 269 C6 DC A 9 -0.754 10.309 -0.462 1.00 0.00 C ATOM 0 H5' DC A 9 -2.507 8.598 -4.358 1.00 0.00 H new ATOM 0 H5'' DC A 9 -3.795 9.606 -4.990 1.00 0.00 H new ATOM 0 H4' DC A 9 -4.555 8.759 -2.960 1.00 0.00 H new ATOM 0 H3' DC A 9 -4.036 11.652 -3.026 1.00 0.00 H new ATOM 0 H2' DC A 9 -3.306 11.867 -0.828 1.00 0.00 H new ATOM 0 H2'' DC A 9 -4.788 11.096 -0.298 1.00 0.00 H new ATOM 0 H1' DC A 9 -3.789 9.092 0.007 1.00 0.00 H new ATOM 0 H41 DC A 9 2.286 10.768 1.942 1.00 0.00 H new ATOM 0 H5 DC A 9 1.295 10.786 -0.258 1.00 0.00 H new ATOM 0 H6 DC A 9 -0.749 10.452 -1.532 1.00 0.00 H new ATOM 281 P DT A 10 -6.582 11.816 -3.398 1.00 0.00 P ATOM 282 OP1 DT A 10 -8.004 11.384 -3.436 1.00 0.00 O ATOM 283 OP2 DT A 10 -5.841 12.004 -4.672 1.00 0.00 O ATOM 284 O5' DT A 10 -6.493 13.172 -2.566 1.00 0.00 O ATOM 285 C5' DT A 10 -7.675 13.855 -2.137 1.00 0.00 C ATOM 286 C4' DT A 10 -7.338 14.848 -1.049 1.00 0.00 C ATOM 287 O4' DT A 10 -6.347 14.268 -0.179 1.00 0.00 O ATOM 288 C3' DT A 10 -6.726 16.160 -1.534 1.00 0.00 C ATOM 289 O3' DT A 10 -7.747 17.147 -1.721 1.00 0.00 O ATOM 290 C2' DT A 10 -5.800 16.567 -0.399 1.00 0.00 C ATOM 291 C1' DT A 10 -5.574 15.297 0.415 1.00 0.00 C ATOM 292 N1 DT A 10 -4.173 14.848 0.447 1.00 0.00 N ATOM 293 C2 DT A 10 -3.579 14.679 1.673 1.00 0.00 C ATOM 294 O2 DT A 10 -4.162 14.880 2.724 1.00 0.00 O ATOM 295 N3 DT A 10 -2.277 14.264 1.627 1.00 0.00 N ATOM 296 C4 DT A 10 -1.525 14.002 0.501 1.00 0.00 C ATOM 297 O4 DT A 10 -0.363 13.624 0.619 1.00 0.00 O ATOM 298 C5 DT A 10 -2.213 14.198 -0.758 1.00 0.00 C ATOM 299 C7 DT A 10 -1.484 13.919 -2.035 1.00 0.00 C ATOM 300 C6 DT A 10 -3.488 14.609 -0.726 1.00 0.00 C ATOM 0 H5' DT A 10 -8.406 13.135 -1.769 1.00 0.00 H new ATOM 0 H5'' DT A 10 -8.132 14.371 -2.981 1.00 0.00 H new ATOM 0 H4' DT A 10 -8.292 15.069 -0.571 1.00 0.00 H new ATOM 0 H3' DT A 10 -6.210 16.060 -2.489 1.00 0.00 H new ATOM 0 H2' DT A 10 -4.859 16.961 -0.782 1.00 0.00 H new ATOM 0 H2'' DT A 10 -6.248 17.351 0.212 1.00 0.00 H new ATOM 0 H1' DT A 10 -5.860 15.516 1.444 1.00 0.00 H new ATOM 0 H3 DT A 10 -1.810 14.134 2.525 1.00 0.00 H new ATOM 0 H71 DT A 10 -2.194 13.594 -2.796 1.00 0.00 H new ATOM 0 H72 DT A 10 -0.981 14.825 -2.372 1.00 0.00 H new ATOM 0 H73 DT A 10 -0.746 13.134 -1.869 1.00 0.00 H new ATOM 0 H6 DT A 10 -4.004 14.760 -1.663 1.00 0.00 H new ATOM 313 P DC A 11 -7.344 18.649 -2.133 1.00 0.00 P ATOM 314 OP1 DC A 11 -8.601 19.434 -2.220 1.00 0.00 O ATOM 315 OP2 DC A 11 -6.437 18.583 -3.308 1.00 0.00 O ATOM 316 O5' DC A 11 -6.507 19.186 -0.887 1.00 0.00 O ATOM 317 C5' DC A 11 -7.159 19.728 0.265 1.00 0.00 C ATOM 318 C4' DC A 11 -6.149 20.403 1.163 1.00 0.00 C ATOM 319 O4' DC A 11 -5.160 19.432 1.564 1.00 0.00 O ATOM 320 C3' DC A 11 -5.363 21.531 0.501 1.00 0.00 C ATOM 321 O3' DC A 11 -5.996 22.792 0.757 1.00 0.00 O ATOM 322 C2' DC A 11 -4.003 21.470 1.180 1.00 0.00 C ATOM 323 C1' DC A 11 -3.915 20.074 1.792 1.00 0.00 C ATOM 324 N1 DC A 11 -2.860 19.226 1.211 1.00 0.00 N ATOM 325 C2 DC A 11 -1.872 18.701 2.051 1.00 0.00 C ATOM 326 O2 DC A 11 -1.906 18.967 3.261 1.00 0.00 O ATOM 327 N3 DC A 11 -0.903 17.915 1.524 1.00 0.00 N ATOM 328 C4 DC A 11 -0.896 17.652 0.216 1.00 0.00 C ATOM 329 N4 DC A 11 0.090 16.875 -0.251 1.00 0.00 N ATOM 330 C5 DC A 11 -1.892 18.178 -0.666 1.00 0.00 C ATOM 331 C6 DC A 11 -2.843 18.953 -0.128 1.00 0.00 C ATOM 0 H5' DC A 11 -7.669 18.934 0.811 1.00 0.00 H new ATOM 0 H5'' DC A 11 -7.921 20.445 -0.042 1.00 0.00 H new ATOM 0 H4' DC A 11 -6.732 20.820 1.985 1.00 0.00 H new ATOM 0 H3' DC A 11 -5.299 21.429 -0.582 1.00 0.00 H new ATOM 0 H2' DC A 11 -3.199 21.636 0.463 1.00 0.00 H new ATOM 0 H2'' DC A 11 -3.912 22.241 1.945 1.00 0.00 H new ATOM 0 H1' DC A 11 -3.674 20.200 2.847 1.00 0.00 H new ATOM 0 H41 DC A 11 0.134 16.649 -1.245 1.00 0.00 H new ATOM 0 H42 DC A 11 0.797 16.510 0.387 1.00 0.00 H new ATOM 0 H5 DC A 11 -1.878 17.959 -1.723 1.00 0.00 H new ATOM 0 H6 DC A 11 -3.610 19.370 -0.764 1.00 0.00 H new ATOM 343 P DC A 12 -6.379 23.763 -0.470 1.00 0.00 P ATOM 344 OP1 DC A 12 -7.859 23.828 -0.563 1.00 0.00 O ATOM 345 OP2 DC A 12 -5.589 23.341 -1.656 1.00 0.00 O ATOM 346 O5' DC A 12 -5.844 25.197 -0.024 1.00 0.00 O ATOM 347 C5' DC A 12 -5.917 25.624 1.338 1.00 0.00 C ATOM 348 C4' DC A 12 -4.571 26.139 1.794 1.00 0.00 C ATOM 349 O4' DC A 12 -3.646 25.028 1.822 1.00 0.00 O ATOM 350 C3' DC A 12 -3.940 27.203 0.888 1.00 0.00 C ATOM 351 O3' DC A 12 -3.458 28.301 1.666 1.00 0.00 O ATOM 352 C2' DC A 12 -2.778 26.483 0.224 1.00 0.00 C ATOM 353 C1' DC A 12 -2.421 25.429 1.252 1.00 0.00 C ATOM 354 N1 DC A 12 -1.761 24.223 0.722 1.00 0.00 N ATOM 355 C2 DC A 12 -0.744 23.624 1.473 1.00 0.00 C ATOM 356 O2 DC A 12 -0.417 24.135 2.553 1.00 0.00 O ATOM 357 N3 DC A 12 -0.144 22.507 1.003 1.00 0.00 N ATOM 358 C4 DC A 12 -0.523 21.990 -0.169 1.00 0.00 C ATOM 359 N4 DC A 12 0.094 20.888 -0.596 1.00 0.00 N ATOM 360 C5 DC A 12 -1.552 22.582 -0.957 1.00 0.00 C ATOM 361 C6 DC A 12 -2.137 23.687 -0.478 1.00 0.00 C ATOM 0 H5' DC A 12 -6.231 24.794 1.971 1.00 0.00 H new ATOM 0 H5'' DC A 12 -6.669 26.406 1.442 1.00 0.00 H new ATOM 0 H4' DC A 12 -4.750 26.601 2.765 1.00 0.00 H new ATOM 0 H3' DC A 12 -4.650 27.614 0.170 1.00 0.00 H new ATOM 0 H2' DC A 12 -3.066 26.040 -0.730 1.00 0.00 H new ATOM 0 H2'' DC A 12 -1.944 27.155 0.024 1.00 0.00 H new ATOM 0 HO3' DC A 12 -3.057 28.971 1.073 1.00 0.00 H new ATOM 0 H1' DC A 12 -1.705 25.873 1.943 1.00 0.00 H new ATOM 0 H41 DC A 12 -0.171 20.468 -1.487 1.00 0.00 H new ATOM 0 H42 DC A 12 0.831 20.465 -0.032 1.00 0.00 H new ATOM 0 H5 DC A 12 -1.849 22.156 -1.904 1.00 0.00 H new ATOM 0 H6 DC A 12 -2.920 24.163 -1.050 1.00 0.00 H new TER 374 DC A 12 ATOM 375 O5' DG B 13 6.901 19.421 4.152 1.00 0.00 O ATOM 376 C5' DG B 13 7.511 19.632 5.430 1.00 0.00 C ATOM 377 C4' DG B 13 6.553 19.290 6.547 1.00 0.00 C ATOM 378 O4' DG B 13 5.236 19.790 6.203 1.00 0.00 O ATOM 379 C3' DG B 13 6.373 17.794 6.804 1.00 0.00 C ATOM 380 O3' DG B 13 7.195 17.364 7.893 1.00 0.00 O ATOM 381 C2' DG B 13 4.904 17.679 7.167 1.00 0.00 C ATOM 382 C1' DG B 13 4.280 18.744 6.290 1.00 0.00 C ATOM 383 N9 DG B 13 3.974 18.303 4.933 1.00 0.00 N ATOM 384 C8 DG B 13 4.434 17.171 4.307 1.00 0.00 C ATOM 385 N7 DG B 13 4.004 17.050 3.082 1.00 0.00 N ATOM 386 C5 DG B 13 3.205 18.167 2.889 1.00 0.00 C ATOM 387 C6 DG B 13 2.464 18.581 1.754 1.00 0.00 C ATOM 388 O6 DG B 13 2.362 18.022 0.656 1.00 0.00 O ATOM 389 N1 DG B 13 1.793 19.778 1.986 1.00 0.00 N ATOM 390 C2 DG B 13 1.826 20.485 3.171 1.00 0.00 C ATOM 391 N2 DG B 13 1.119 21.627 3.229 1.00 0.00 N ATOM 392 N3 DG B 13 2.508 20.103 4.235 1.00 0.00 N ATOM 393 C4 DG B 13 3.170 18.948 4.025 1.00 0.00 C ATOM 0 H5' DG B 13 7.825 20.672 5.520 1.00 0.00 H new ATOM 0 H5'' DG B 13 8.409 19.019 5.515 1.00 0.00 H new ATOM 0 H4' DG B 13 6.986 19.740 7.440 1.00 0.00 H new ATOM 0 H3' DG B 13 6.655 17.177 5.951 1.00 0.00 H new ATOM 0 H2' DG B 13 4.506 16.687 6.951 1.00 0.00 H new ATOM 0 H2'' DG B 13 4.729 17.868 8.226 1.00 0.00 H new ATOM 0 HO5' DG B 13 6.053 18.943 4.269 1.00 0.00 H new ATOM 0 H1' DG B 13 3.330 19.036 6.737 1.00 0.00 H new ATOM 0 H8 DG B 13 5.086 16.453 4.781 1.00 0.00 H new ATOM 0 H1 DG B 13 1.235 20.162 1.223 1.00 0.00 H new ATOM 0 H21 DG B 13 1.115 22.181 4.085 1.00 0.00 H new ATOM 0 H22 DG B 13 0.587 21.939 2.417 1.00 0.00 H new ATOM 406 P DG B 14 7.482 15.796 8.105 1.00 0.00 P ATOM 407 OP1 DG B 14 8.197 15.647 9.398 1.00 0.00 O ATOM 408 OP2 DG B 14 8.095 15.261 6.862 1.00 0.00 O ATOM 409 O5' DG B 14 6.029 15.155 8.261 1.00 0.00 O ATOM 410 C5' DG B 14 5.213 15.453 9.396 1.00 0.00 C ATOM 411 C4' DG B 14 3.763 15.146 9.100 1.00 0.00 C ATOM 412 O4' DG B 14 3.515 15.268 7.675 1.00 0.00 O ATOM 413 C3' DG B 14 3.313 13.732 9.488 1.00 0.00 C ATOM 414 O3' DG B 14 2.133 13.798 10.297 1.00 0.00 O ATOM 415 C2' DG B 14 3.012 13.060 8.158 1.00 0.00 C ATOM 416 C1' DG B 14 2.639 14.236 7.284 1.00 0.00 C ATOM 417 N9 DG B 14 2.801 14.012 5.851 1.00 0.00 N ATOM 418 C8 DG B 14 3.743 13.220 5.242 1.00 0.00 C ATOM 419 N7 DG B 14 3.645 13.207 3.942 1.00 0.00 N ATOM 420 C5 DG B 14 2.568 14.041 3.671 1.00 0.00 C ATOM 421 C6 DG B 14 1.982 14.413 2.433 1.00 0.00 C ATOM 422 O6 DG B 14 2.307 14.068 1.292 1.00 0.00 O ATOM 423 N1 DG B 14 0.908 15.276 2.614 1.00 0.00 N ATOM 424 C2 DG B 14 0.457 15.730 3.827 1.00 0.00 C ATOM 425 N2 DG B 14 -0.585 16.571 3.788 1.00 0.00 N ATOM 426 N3 DG B 14 0.990 15.389 4.991 1.00 0.00 N ATOM 427 C4 DG B 14 2.036 14.549 4.838 1.00 0.00 C ATOM 0 H5' DG B 14 5.321 16.504 9.663 1.00 0.00 H new ATOM 0 H5'' DG B 14 5.547 14.870 10.254 1.00 0.00 H new ATOM 0 H4' DG B 14 3.204 15.863 9.702 1.00 0.00 H new ATOM 0 H3' DG B 14 4.062 13.191 10.067 1.00 0.00 H new ATOM 0 H2' DG B 14 3.876 12.521 7.769 1.00 0.00 H new ATOM 0 H2'' DG B 14 2.198 12.340 8.241 1.00 0.00 H new ATOM 0 H1' DG B 14 1.579 14.451 7.421 1.00 0.00 H new ATOM 0 H8 DG B 14 4.491 12.663 5.786 1.00 0.00 H new ATOM 0 H1 DG B 14 0.417 15.597 1.780 1.00 0.00 H new ATOM 0 H21 DG B 14 -0.970 16.946 4.655 1.00 0.00 H new ATOM 0 H22 DG B 14 -0.993 16.836 2.892 1.00 0.00 H new ATOM 439 P DA B 15 1.910 12.729 11.478 1.00 0.00 P ATOM 440 OP1 DA B 15 2.096 13.425 12.778 1.00 0.00 O ATOM 441 OP2 DA B 15 2.727 11.528 11.167 1.00 0.00 O ATOM 442 O5' DA B 15 0.375 12.323 11.343 1.00 0.00 O ATOM 443 C5' DA B 15 -0.649 13.319 11.293 1.00 0.00 C ATOM 444 C4' DA B 15 -1.803 12.841 10.440 1.00 0.00 C ATOM 445 O4' DA B 15 -1.576 13.239 9.074 1.00 0.00 O ATOM 446 C3' DA B 15 -1.984 11.327 10.382 1.00 0.00 C ATOM 447 O3' DA B 15 -2.871 10.896 11.421 1.00 0.00 O ATOM 448 C2' DA B 15 -2.610 11.101 9.016 1.00 0.00 C ATOM 449 C1' DA B 15 -2.235 12.335 8.199 1.00 0.00 C ATOM 450 N9 DA B 15 -1.334 12.062 7.079 1.00 0.00 N ATOM 451 C8 DA B 15 -0.042 11.604 7.129 1.00 0.00 C ATOM 452 N7 DA B 15 0.515 11.464 5.949 1.00 0.00 N ATOM 453 C5 DA B 15 -0.482 11.851 5.064 1.00 0.00 C ATOM 454 C6 DA B 15 -0.526 11.927 3.659 1.00 0.00 C ATOM 455 N6 DA B 15 0.501 11.607 2.866 1.00 0.00 N ATOM 456 N1 DA B 15 -1.676 12.351 3.089 1.00 0.00 N ATOM 457 C2 DA B 15 -2.704 12.675 3.887 1.00 0.00 C ATOM 458 N3 DA B 15 -2.782 12.646 5.214 1.00 0.00 N ATOM 459 C4 DA B 15 -1.625 12.220 5.747 1.00 0.00 C ATOM 0 H5' DA B 15 -0.245 14.246 10.885 1.00 0.00 H new ATOM 0 H5'' DA B 15 -1.000 13.541 12.301 1.00 0.00 H new ATOM 0 H4' DA B 15 -2.685 13.281 10.905 1.00 0.00 H new ATOM 0 H3' DA B 15 -1.055 10.774 10.520 1.00 0.00 H new ATOM 0 H2' DA B 15 -2.229 10.191 8.553 1.00 0.00 H new ATOM 0 H2'' DA B 15 -3.692 10.991 9.091 1.00 0.00 H new ATOM 0 H1' DA B 15 -3.157 12.731 7.773 1.00 0.00 H new ATOM 0 H8 DA B 15 0.469 11.379 8.053 1.00 0.00 H new ATOM 0 H2 DA B 15 -3.597 13.007 3.379 1.00 0.00 H new ATOM 471 P DG B 16 -2.444 9.687 12.392 1.00 0.00 P ATOM 472 OP1 DG B 16 -3.134 9.882 13.693 1.00 0.00 O ATOM 473 OP2 DG B 16 -0.965 9.562 12.361 1.00 0.00 O ATOM 474 O5' DG B 16 -3.061 8.395 11.691 1.00 0.00 O ATOM 475 C5' DG B 16 -4.448 8.074 11.828 1.00 0.00 C ATOM 476 C4' DG B 16 -5.032 7.678 10.491 1.00 0.00 C ATOM 477 O4' DG B 16 -4.241 8.268 9.429 1.00 0.00 O ATOM 478 C3' DG B 16 -5.050 6.170 10.217 1.00 0.00 C ATOM 479 O3' DG B 16 -6.306 5.794 9.638 1.00 0.00 O ATOM 480 C2' DG B 16 -3.914 5.970 9.228 1.00 0.00 C ATOM 481 C1' DG B 16 -3.927 7.278 8.470 1.00 0.00 C ATOM 482 N9 DG B 16 -2.658 7.634 7.845 1.00 0.00 N ATOM 483 C8 DG B 16 -1.476 7.934 8.476 1.00 0.00 C ATOM 484 N7 DG B 16 -0.507 8.212 7.650 1.00 0.00 N ATOM 485 C5 DG B 16 -1.084 8.088 6.392 1.00 0.00 C ATOM 486 C6 DG B 16 -0.524 8.267 5.103 1.00 0.00 C ATOM 487 O6 DG B 16 0.633 8.581 4.802 1.00 0.00 O ATOM 488 N1 DG B 16 -1.463 8.040 4.100 1.00 0.00 N ATOM 489 C2 DG B 16 -2.774 7.686 4.312 1.00 0.00 C ATOM 490 N2 DG B 16 -3.538 7.502 3.224 1.00 0.00 N ATOM 491 N3 DG B 16 -3.307 7.519 5.511 1.00 0.00 N ATOM 492 C4 DG B 16 -2.412 7.733 6.497 1.00 0.00 C ATOM 0 H5' DG B 16 -4.988 8.932 12.228 1.00 0.00 H new ATOM 0 H5'' DG B 16 -4.570 7.259 12.541 1.00 0.00 H new ATOM 0 H4' DG B 16 -6.063 8.031 10.521 1.00 0.00 H new ATOM 0 H3' DG B 16 -4.930 5.565 11.116 1.00 0.00 H new ATOM 0 H2' DG B 16 -2.962 5.798 9.729 1.00 0.00 H new ATOM 0 H2'' DG B 16 -4.088 5.116 8.573 1.00 0.00 H new ATOM 0 H1' DG B 16 -4.642 7.192 7.652 1.00 0.00 H new ATOM 0 H8 DG B 16 -1.361 7.939 9.550 1.00 0.00 H new ATOM 0 H1 DG B 16 -1.154 8.145 3.134 1.00 0.00 H new ATOM 0 H21 DG B 16 -4.518 7.238 3.328 1.00 0.00 H new ATOM 0 H22 DG B 16 -3.139 7.626 2.294 1.00 0.00 H new ATOM 504 P DA B 17 -6.517 4.302 9.075 1.00 0.00 P ATOM 505 OP1 DA B 17 -7.963 3.979 9.147 1.00 0.00 O ATOM 506 OP2 DA B 17 -5.534 3.417 9.753 1.00 0.00 O ATOM 507 O5' DA B 17 -6.103 4.409 7.540 1.00 0.00 O ATOM 508 C5' DA B 17 -6.965 5.033 6.587 1.00 0.00 C ATOM 509 C4' DA B 17 -6.702 4.478 5.206 1.00 0.00 C ATOM 510 O4' DA B 17 -5.508 5.085 4.675 1.00 0.00 O ATOM 511 C3' DA B 17 -6.436 2.978 5.155 1.00 0.00 C ATOM 512 O3' DA B 17 -7.655 2.255 4.955 1.00 0.00 O ATOM 513 C2' DA B 17 -5.524 2.823 3.950 1.00 0.00 C ATOM 514 C1' DA B 17 -4.901 4.201 3.746 1.00 0.00 C ATOM 515 N9 DA B 17 -3.457 4.235 3.969 1.00 0.00 N ATOM 516 C8 DA B 17 -2.775 4.014 5.140 1.00 0.00 C ATOM 517 N7 DA B 17 -1.472 4.102 5.015 1.00 0.00 N ATOM 518 C5 DA B 17 -1.286 4.403 3.674 1.00 0.00 C ATOM 519 C6 DA B 17 -0.132 4.625 2.904 1.00 0.00 C ATOM 520 N6 DA B 17 1.107 4.575 3.396 1.00 0.00 N ATOM 521 N1 DA B 17 -0.295 4.904 1.592 1.00 0.00 N ATOM 522 C2 DA B 17 -1.540 4.957 1.098 1.00 0.00 C ATOM 523 N3 DA B 17 -2.699 4.767 1.720 1.00 0.00 N ATOM 524 C4 DA B 17 -2.501 4.491 3.020 1.00 0.00 C ATOM 0 H5' DA B 17 -6.804 6.111 6.591 1.00 0.00 H new ATOM 0 H5'' DA B 17 -8.006 4.865 6.862 1.00 0.00 H new ATOM 0 H4' DA B 17 -7.611 4.693 4.645 1.00 0.00 H new ATOM 0 H3' DA B 17 -6.000 2.592 6.076 1.00 0.00 H new ATOM 0 H2' DA B 17 -4.760 2.067 4.128 1.00 0.00 H new ATOM 0 H2'' DA B 17 -6.084 2.509 3.069 1.00 0.00 H new ATOM 0 H1' DA B 17 -5.069 4.484 2.707 1.00 0.00 H new ATOM 0 H8 DA B 17 -3.265 3.789 6.076 1.00 0.00 H new ATOM 0 H61 DA B 17 1.906 4.746 2.785 1.00 0.00 H new ATOM 0 H62 DA B 17 1.256 4.366 4.383 1.00 0.00 H new ATOM 0 H2 DA B 17 -1.611 5.187 0.045 1.00 0.00 H new ATOM 536 P DC B 18 -7.621 0.653 4.823 1.00 0.00 P ATOM 537 OP1 DC B 18 -8.990 0.136 5.077 1.00 0.00 O ATOM 538 OP2 DC B 18 -6.488 0.157 5.646 1.00 0.00 O ATOM 539 O5' DC B 18 -7.265 0.395 3.291 1.00 0.00 O ATOM 540 C5' DC B 18 -8.191 0.721 2.253 1.00 0.00 C ATOM 541 C4' DC B 18 -7.454 0.966 0.957 1.00 0.00 C ATOM 542 O4' DC B 18 -6.245 1.705 1.237 1.00 0.00 O ATOM 543 C3' DC B 18 -6.991 -0.292 0.227 1.00 0.00 C ATOM 544 O3' DC B 18 -7.986 -0.735 -0.703 1.00 0.00 O ATOM 545 C2' DC B 18 -5.747 0.172 -0.511 1.00 0.00 C ATOM 546 C1' DC B 18 -5.231 1.354 0.306 1.00 0.00 C ATOM 547 N1 DC B 18 -4.001 1.055 1.057 1.00 0.00 N ATOM 548 C2 DC B 18 -2.769 1.233 0.426 1.00 0.00 C ATOM 549 O2 DC B 18 -2.746 1.657 -0.738 1.00 0.00 O ATOM 550 N3 DC B 18 -1.633 0.939 1.098 1.00 0.00 N ATOM 551 C4 DC B 18 -1.699 0.494 2.355 1.00 0.00 C ATOM 552 N4 DC B 18 -0.555 0.223 2.981 1.00 0.00 N ATOM 553 C5 DC B 18 -2.942 0.309 3.024 1.00 0.00 C ATOM 554 C6 DC B 18 -4.057 0.601 2.344 1.00 0.00 C ATOM 0 H5' DC B 18 -8.761 1.608 2.529 1.00 0.00 H new ATOM 0 H5'' DC B 18 -8.907 -0.091 2.125 1.00 0.00 H new ATOM 0 H4' DC B 18 -8.173 1.489 0.326 1.00 0.00 H new ATOM 0 H3' DC B 18 -6.808 -1.131 0.899 1.00 0.00 H new ATOM 0 H2' DC B 18 -5.003 -0.622 -0.572 1.00 0.00 H new ATOM 0 H2'' DC B 18 -5.981 0.469 -1.533 1.00 0.00 H new ATOM 0 H1' DC B 18 -4.993 2.159 -0.389 1.00 0.00 H new ATOM 0 H41 DC B 18 -0.568 -0.119 3.942 1.00 0.00 H new ATOM 0 H42 DC B 18 0.334 0.357 2.499 1.00 0.00 H new ATOM 0 H5 DC B 18 -2.983 -0.053 4.041 1.00 0.00 H new ATOM 0 H6 DC B 18 -5.018 0.476 2.821 1.00 0.00 H new ATOM 566 P DC B 19 -7.985 -2.265 -1.201 1.00 0.00 P ATOM 567 OP1 DC B 19 -9.171 -2.448 -2.077 1.00 0.00 O ATOM 568 OP2 DC B 19 -7.808 -3.142 -0.015 1.00 0.00 O ATOM 569 O5' DC B 19 -6.676 -2.382 -2.103 1.00 0.00 O ATOM 570 C5' DC B 19 -6.663 -1.907 -3.451 1.00 0.00 C ATOM 571 C4' DC B 19 -5.731 -2.748 -4.294 1.00 0.00 C ATOM 572 O4' DC B 19 -4.367 -2.478 -3.890 1.00 0.00 O ATOM 573 C3' DC B 19 -5.919 -4.259 -4.163 1.00 0.00 C ATOM 574 O3' DC B 19 -5.702 -4.898 -5.425 1.00 0.00 O ATOM 575 C2' DC B 19 -4.851 -4.671 -3.165 1.00 0.00 C ATOM 576 C1' DC B 19 -3.751 -3.645 -3.370 1.00 0.00 C ATOM 577 N1 DC B 19 -3.035 -3.261 -2.142 1.00 0.00 N ATOM 578 C2 DC B 19 -1.638 -3.292 -2.137 1.00 0.00 C ATOM 579 O2 DC B 19 -1.041 -3.658 -3.158 1.00 0.00 O ATOM 580 N3 DC B 19 -0.973 -2.923 -1.019 1.00 0.00 N ATOM 581 C4 DC B 19 -1.652 -2.541 0.065 1.00 0.00 C ATOM 582 N4 DC B 19 -0.955 -2.187 1.145 1.00 0.00 N ATOM 583 C5 DC B 19 -3.077 -2.505 0.091 1.00 0.00 C ATOM 584 C6 DC B 19 -3.722 -2.871 -1.025 1.00 0.00 C ATOM 0 H5' DC B 19 -6.344 -0.865 -3.474 1.00 0.00 H new ATOM 0 H5'' DC B 19 -7.670 -1.941 -3.866 1.00 0.00 H new ATOM 0 H4' DC B 19 -5.957 -2.473 -5.324 1.00 0.00 H new ATOM 0 H3' DC B 19 -6.923 -4.537 -3.844 1.00 0.00 H new ATOM 0 H2' DC B 19 -5.230 -4.653 -2.143 1.00 0.00 H new ATOM 0 H2'' DC B 19 -4.495 -5.683 -3.355 1.00 0.00 H new ATOM 0 H1' DC B 19 -3.011 -4.094 -4.033 1.00 0.00 H new ATOM 0 H41 DC B 19 -1.441 -1.890 1.991 1.00 0.00 H new ATOM 0 H42 DC B 19 0.064 -2.213 1.125 1.00 0.00 H new ATOM 0 H5 DC B 19 -3.615 -2.195 0.975 1.00 0.00 H new ATOM 0 H6 DC B 19 -4.802 -2.858 -1.043 1.00 0.00 H new ATOM 596 P DA B 20 -6.422 -6.300 -5.745 1.00 0.00 P ATOM 597 OP1 DA B 20 -7.462 -6.041 -6.771 1.00 0.00 O ATOM 598 OP2 DA B 20 -6.804 -6.937 -4.458 1.00 0.00 O ATOM 599 O5' DA B 20 -5.274 -7.183 -6.411 1.00 0.00 O ATOM 600 C5' DA B 20 -4.832 -6.929 -7.746 1.00 0.00 C ATOM 601 C4' DA B 20 -3.377 -7.309 -7.899 1.00 0.00 C ATOM 602 O4' DA B 20 -2.659 -6.936 -6.697 1.00 0.00 O ATOM 603 C3' DA B 20 -3.116 -8.803 -8.087 1.00 0.00 C ATOM 604 O3' DA B 20 -1.972 -9.005 -8.925 1.00 0.00 O ATOM 605 C2' DA B 20 -2.838 -9.283 -6.675 1.00 0.00 C ATOM 606 C1' DA B 20 -2.125 -8.090 -6.064 1.00 0.00 C ATOM 607 N9 DA B 20 -2.319 -7.939 -4.622 1.00 0.00 N ATOM 608 C8 DA B 20 -3.488 -8.079 -3.914 1.00 0.00 C ATOM 609 N7 DA B 20 -3.352 -7.879 -2.626 1.00 0.00 N ATOM 610 C5 DA B 20 -2.003 -7.588 -2.476 1.00 0.00 C ATOM 611 C6 DA B 20 -1.224 -7.281 -1.348 1.00 0.00 C ATOM 612 N6 DA B 20 -1.712 -7.213 -0.109 1.00 0.00 N ATOM 613 N1 DA B 20 0.092 -7.043 -1.538 1.00 0.00 N ATOM 614 C2 DA B 20 0.581 -7.111 -2.783 1.00 0.00 C ATOM 615 N3 DA B 20 -0.051 -7.390 -3.922 1.00 0.00 N ATOM 616 C4 DA B 20 -1.355 -7.622 -3.697 1.00 0.00 C ATOM 0 H5' DA B 20 -4.966 -5.874 -7.986 1.00 0.00 H new ATOM 0 H5'' DA B 20 -5.439 -7.496 -8.451 1.00 0.00 H new ATOM 0 H4' DA B 20 -3.047 -6.788 -8.798 1.00 0.00 H new ATOM 0 H3' DA B 20 -3.941 -9.332 -8.564 1.00 0.00 H new ATOM 0 H2' DA B 20 -3.756 -9.526 -6.140 1.00 0.00 H new ATOM 0 H2'' DA B 20 -2.216 -10.178 -6.664 1.00 0.00 H new ATOM 0 H1' DA B 20 -1.055 -8.232 -6.215 1.00 0.00 H new ATOM 0 H8 DA B 20 -4.431 -8.330 -4.376 1.00 0.00 H new ATOM 0 H61 DA B 20 -1.095 -6.985 0.670 1.00 0.00 H new ATOM 0 H62 DA B 20 -2.703 -7.389 0.059 1.00 0.00 H new ATOM 0 H2 DA B 20 1.638 -6.911 -2.877 1.00 0.00 H new ATOM 628 P DG B 21 -1.794 -10.393 -9.717 1.00 0.00 P ATOM 629 OP1 DG B 21 -2.013 -10.130 -11.162 1.00 0.00 O ATOM 630 OP2 DG B 21 -2.614 -11.422 -9.026 1.00 0.00 O ATOM 631 O5' DG B 21 -0.259 -10.765 -9.499 1.00 0.00 O ATOM 632 C5' DG B 21 0.772 -10.088 -10.220 1.00 0.00 C ATOM 633 C4' DG B 21 2.104 -10.279 -9.531 1.00 0.00 C ATOM 634 O4' DG B 21 2.143 -9.457 -8.339 1.00 0.00 O ATOM 635 C3' DG B 21 2.388 -11.698 -9.049 1.00 0.00 C ATOM 636 O3' DG B 21 3.078 -12.444 -10.057 1.00 0.00 O ATOM 637 C2' DG B 21 3.277 -11.467 -7.843 1.00 0.00 C ATOM 638 C1' DG B 21 2.695 -10.193 -7.253 1.00 0.00 C ATOM 639 N9 DG B 21 1.633 -10.415 -6.277 1.00 0.00 N ATOM 640 C8 DG B 21 0.325 -10.743 -6.536 1.00 0.00 C ATOM 641 N7 DG B 21 -0.396 -10.881 -5.457 1.00 0.00 N ATOM 642 C5 DG B 21 0.492 -10.629 -4.420 1.00 0.00 C ATOM 643 C6 DG B 21 0.288 -10.631 -3.017 1.00 0.00 C ATOM 644 O6 DG B 21 -0.751 -10.862 -2.393 1.00 0.00 O ATOM 645 N1 DG B 21 1.457 -10.323 -2.329 1.00 0.00 N ATOM 646 C2 DG B 21 2.665 -10.047 -2.915 1.00 0.00 C ATOM 647 N2 DG B 21 3.671 -9.770 -2.078 1.00 0.00 N ATOM 648 N3 DG B 21 2.872 -10.042 -4.222 1.00 0.00 N ATOM 649 C4 DG B 21 1.748 -10.339 -4.909 1.00 0.00 C ATOM 0 H5' DG B 21 0.539 -9.025 -10.289 1.00 0.00 H new ATOM 0 H5'' DG B 21 0.824 -10.470 -11.239 1.00 0.00 H new ATOM 0 H4' DG B 21 2.844 -10.017 -10.288 1.00 0.00 H new ATOM 0 H3' DG B 21 1.489 -12.270 -8.820 1.00 0.00 H new ATOM 0 H2' DG B 21 3.233 -12.298 -7.140 1.00 0.00 H new ATOM 0 H2'' DG B 21 4.322 -11.344 -8.126 1.00 0.00 H new ATOM 0 H1' DG B 21 3.496 -9.675 -6.725 1.00 0.00 H new ATOM 0 H8 DG B 21 -0.068 -10.874 -7.533 1.00 0.00 H new ATOM 0 H1 DG B 21 1.412 -10.301 -1.310 1.00 0.00 H new ATOM 0 H21 DG B 21 4.597 -9.556 -2.447 1.00 0.00 H new ATOM 0 H22 DG B 21 3.512 -9.773 -1.071 1.00 0.00 H new ATOM 661 P DA B 22 2.878 -14.036 -10.150 1.00 0.00 P ATOM 662 OP1 DA B 22 3.691 -14.521 -11.294 1.00 0.00 O ATOM 663 OP2 DA B 22 1.421 -14.328 -10.109 1.00 0.00 O ATOM 664 O5' DA B 22 3.532 -14.585 -8.805 1.00 0.00 O ATOM 665 C5' DA B 22 4.913 -14.361 -8.512 1.00 0.00 C ATOM 666 C4' DA B 22 5.303 -15.091 -7.249 1.00 0.00 C ATOM 667 O4' DA B 22 4.928 -14.293 -6.101 1.00 0.00 O ATOM 668 C3' DA B 22 4.613 -16.435 -7.043 1.00 0.00 C ATOM 669 O3' DA B 22 5.388 -17.485 -7.628 1.00 0.00 O ATOM 670 C2' DA B 22 4.575 -16.562 -5.533 1.00 0.00 C ATOM 671 C1' DA B 22 4.365 -15.121 -5.090 1.00 0.00 C ATOM 672 N9 DA B 22 2.962 -14.736 -4.924 1.00 0.00 N ATOM 673 C8 DA B 22 2.070 -14.352 -5.893 1.00 0.00 C ATOM 674 N7 DA B 22 0.881 -14.054 -5.429 1.00 0.00 N ATOM 675 C5 DA B 22 0.996 -14.261 -4.061 1.00 0.00 C ATOM 676 C6 DA B 22 0.084 -14.118 -3.000 1.00 0.00 C ATOM 677 N6 DA B 22 -1.181 -13.721 -3.159 1.00 0.00 N ATOM 678 N1 DA B 22 0.520 -14.402 -1.754 1.00 0.00 N ATOM 679 C2 DA B 22 1.787 -14.805 -1.595 1.00 0.00 C ATOM 680 N3 DA B 22 2.737 -14.978 -2.511 1.00 0.00 N ATOM 681 C4 DA B 22 2.273 -14.684 -3.737 1.00 0.00 C ATOM 0 H5' DA B 22 5.099 -13.293 -8.396 1.00 0.00 H new ATOM 0 H5'' DA B 22 5.529 -14.703 -9.344 1.00 0.00 H new ATOM 0 H4' DA B 22 6.375 -15.260 -7.350 1.00 0.00 H new ATOM 0 H3' DA B 22 3.627 -16.500 -7.503 1.00 0.00 H new ATOM 0 H2' DA B 22 3.766 -17.212 -5.200 1.00 0.00 H new ATOM 0 H2'' DA B 22 5.501 -16.978 -5.137 1.00 0.00 H new ATOM 0 H1' DA B 22 4.833 -15.009 -4.112 1.00 0.00 H new ATOM 0 H8 DA B 22 2.324 -14.300 -6.941 1.00 0.00 H new ATOM 0 H61 DA B 22 -1.795 -13.637 -2.349 1.00 0.00 H new ATOM 0 H62 DA B 22 -1.534 -13.502 -4.091 1.00 0.00 H new ATOM 0 H2 DA B 22 2.080 -15.020 -0.578 1.00 0.00 H new ATOM 693 P DG B 23 4.686 -18.547 -8.611 1.00 0.00 P ATOM 694 OP1 DG B 23 5.728 -19.023 -9.556 1.00 0.00 O ATOM 695 OP2 DG B 23 3.431 -17.956 -9.141 1.00 0.00 O ATOM 696 O5' DG B 23 4.303 -19.760 -7.652 1.00 0.00 O ATOM 697 C5' DG B 23 5.306 -20.457 -6.911 1.00 0.00 C ATOM 698 C4' DG B 23 4.859 -20.658 -5.483 1.00 0.00 C ATOM 699 O4' DG B 23 4.219 -19.461 -5.004 1.00 0.00 O ATOM 700 C3' DG B 23 3.821 -21.755 -5.281 1.00 0.00 C ATOM 701 O3' DG B 23 4.463 -23.022 -5.102 1.00 0.00 O ATOM 702 C2' DG B 23 3.119 -21.321 -4.006 1.00 0.00 C ATOM 703 C1' DG B 23 3.297 -19.803 -3.978 1.00 0.00 C ATOM 704 N9 DG B 23 2.066 -19.054 -4.212 1.00 0.00 N ATOM 705 C8 DG B 23 1.645 -18.496 -5.394 1.00 0.00 C ATOM 706 N7 DG B 23 0.492 -17.893 -5.297 1.00 0.00 N ATOM 707 C5 DG B 23 0.130 -18.063 -3.966 1.00 0.00 C ATOM 708 C6 DG B 23 -1.024 -17.629 -3.267 1.00 0.00 C ATOM 709 O6 DG B 23 -1.987 -16.984 -3.695 1.00 0.00 O ATOM 710 N1 DG B 23 -0.992 -18.017 -1.932 1.00 0.00 N ATOM 711 C2 DG B 23 0.027 -18.735 -1.344 1.00 0.00 C ATOM 712 N2 DG B 23 -0.106 -19.029 -0.039 1.00 0.00 N ATOM 713 N3 DG B 23 1.108 -19.142 -1.986 1.00 0.00 N ATOM 714 C4 DG B 23 1.092 -18.775 -3.284 1.00 0.00 C ATOM 0 H5' DG B 23 6.239 -19.894 -6.931 1.00 0.00 H new ATOM 0 H5'' DG B 23 5.506 -21.422 -7.376 1.00 0.00 H new ATOM 0 H4' DG B 23 5.773 -20.928 -4.954 1.00 0.00 H new ATOM 0 H3' DG B 23 3.143 -21.878 -6.126 1.00 0.00 H new ATOM 0 H2' DG B 23 2.065 -21.598 -4.018 1.00 0.00 H new ATOM 0 H2'' DG B 23 3.562 -21.790 -3.128 1.00 0.00 H new ATOM 0 H1' DG B 23 3.642 -19.537 -2.979 1.00 0.00 H new ATOM 0 H8 DG B 23 2.211 -18.551 -6.312 1.00 0.00 H new ATOM 0 H1 DG B 23 -1.782 -17.750 -1.344 1.00 0.00 H new ATOM 0 H21 DG B 23 0.622 -19.559 0.441 1.00 0.00 H new ATOM 0 H22 DG B 23 -0.934 -18.722 0.471 1.00 0.00 H new ATOM 726 P DG B 24 3.776 -24.356 -5.684 1.00 0.00 P ATOM 727 OP1 DG B 24 4.760 -25.029 -6.571 1.00 0.00 O ATOM 728 OP2 DG B 24 2.437 -23.996 -6.216 1.00 0.00 O ATOM 729 O5' DG B 24 3.559 -25.274 -4.399 1.00 0.00 O ATOM 730 C5' DG B 24 4.362 -25.108 -3.227 1.00 0.00 C ATOM 731 C4' DG B 24 3.602 -25.560 -2.003 1.00 0.00 C ATOM 732 O4' DG B 24 2.689 -24.508 -1.605 1.00 0.00 O ATOM 733 C3' DG B 24 2.737 -26.803 -2.201 1.00 0.00 C ATOM 734 O3' DG B 24 3.446 -27.980 -1.807 1.00 0.00 O ATOM 735 C2' DG B 24 1.561 -26.555 -1.274 1.00 0.00 C ATOM 736 C1' DG B 24 1.400 -25.044 -1.338 1.00 0.00 C ATOM 737 N9 DG B 24 0.497 -24.575 -2.385 1.00 0.00 N ATOM 738 C8 DG B 24 0.670 -24.693 -3.742 1.00 0.00 C ATOM 739 N7 DG B 24 -0.309 -24.178 -4.434 1.00 0.00 N ATOM 740 C5 DG B 24 -1.183 -23.688 -3.473 1.00 0.00 C ATOM 741 C6 DG B 24 -2.428 -23.021 -3.618 1.00 0.00 C ATOM 742 O6 DG B 24 -3.023 -22.719 -4.658 1.00 0.00 O ATOM 743 N1 DG B 24 -2.982 -22.701 -2.385 1.00 0.00 N ATOM 744 C2 DG B 24 -2.416 -22.985 -1.170 1.00 0.00 C ATOM 745 N2 DG B 24 -3.109 -22.592 -0.098 1.00 0.00 N ATOM 746 N3 DG B 24 -1.259 -23.605 -1.018 1.00 0.00 N ATOM 747 C4 DG B 24 -0.702 -23.927 -2.203 1.00 0.00 C ATOM 0 H5' DG B 24 4.649 -24.062 -3.120 1.00 0.00 H new ATOM 0 H5'' DG B 24 5.283 -25.683 -3.324 1.00 0.00 H new ATOM 0 H4' DG B 24 4.370 -25.794 -1.266 1.00 0.00 H new ATOM 0 H3' DG B 24 2.443 -26.960 -3.239 1.00 0.00 H new ATOM 0 H2' DG B 24 0.663 -27.073 -1.611 1.00 0.00 H new ATOM 0 H2'' DG B 24 1.765 -26.898 -0.260 1.00 0.00 H new ATOM 0 HO3' DG B 24 2.875 -28.765 -1.939 1.00 0.00 H new ATOM 0 H1' DG B 24 0.967 -24.720 -0.391 1.00 0.00 H new ATOM 0 H8 DG B 24 1.531 -25.165 -4.192 1.00 0.00 H new ATOM 0 H1 DG B 24 -3.880 -22.217 -2.384 1.00 0.00 H new ATOM 0 H21 DG B 24 -2.746 -22.772 0.838 1.00 0.00 H new ATOM 0 H22 DG B 24 -4.001 -22.112 -0.215 1.00 0.00 H new TER 760 DG B 24 HETATM 761 PT 1PT A 13 4.637 1.429 0.092 1.00 0.00 PT HETATM 762 N1 1PT A 13 4.811 3.090 1.238 1.00 0.00 N HETATM 763 N2 1PT A 13 5.655 0.494 1.573 1.00 0.00 N HETATM 764 C1 1PT A 13 5.221 2.655 2.659 1.00 0.00 C HETATM 765 C2 1PT A 13 6.262 1.562 2.505 1.00 0.00 C HETATM 766 C3 1PT A 13 6.662 1.014 3.834 1.00 0.00 C HETATM 767 C4 1PT A 13 7.275 2.141 4.744 1.00 0.00 C HETATM 768 C5 1PT A 13 6.170 3.307 4.851 1.00 0.00 C HETATM 769 C6 1PT A 13 5.746 3.793 3.485 1.00 0.00 C HETATM 0 H62 1PT A 13 6.593 4.256 2.979 1.00 0.00 H new HETATM 0 H61 1PT A 13 4.978 4.559 3.588 1.00 0.00 H new HETATM 0 H52 1PT A 13 5.300 2.937 5.393 1.00 0.00 H new HETATM 0 H51 1PT A 13 6.573 4.140 5.426 1.00 0.00 H new HETATM 0 H42 1PT A 13 7.520 1.750 5.731 1.00 0.00 H new HETATM 0 H41 1PT A 13 8.200 2.524 4.314 1.00 0.00 H new HETATM 0 H32 1PT A 13 5.795 0.575 4.327 1.00 0.00 H new HETATM 0 H31 1PT A 13 7.390 0.214 3.698 1.00 0.00 H new HETATM 0 H2 1PT A 13 7.182 1.947 2.065 1.00 0.00 H new HETATM 0 H1 1PT A 13 4.346 2.291 3.197 1.00 0.00 H new