USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 493 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 THR OG1 : rot 180:sc= 0.464 USER MOD Set 1.2: A 27 ASN : amide:sc= 0.805 K(o=1.3,f=0.52) USER MOD Single : A 12 ASN : amide:sc= 0.57 X(o=0.57,f=0.32) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.789 X(o=-0.79,f=-1.1) USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0336) USER MOD Single : A 23 HIS : no HD1:sc= 0.978 K(o=0.98,f=-4.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.021) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0165) USER MOD Single : A 41 LYS NZ :NH3+ -166:sc= 1.23 (180deg=0.771) USER MOD Single : A 44 HIS : no HD1:sc= -0.304 K(o=-0.3,f=-2.1) USER MOD Single : A 45 GLN : amide:sc= 0.957 K(o=0.96,f=0) USER MOD Single : A 46 MET CE :methyl -167:sc= 0 (180deg=-0.151) USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= 0.912 (180deg=0.557) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.542 K(o=0.54,f=-2.2) USER MOD Single : A 55 ASN : amide:sc= 0.0939 K(o=0.094,f=-2.6!) USER MOD Single : B 101 DG O5' : rot 95:sc= 1.39 USER MOD Single : B 102 DT C7 :methyl -30:sc= -0.348 (180deg=-1.91) USER MOD Single : B 106 DT C7 :methyl 150:sc= -1.02 (180deg=-1.02) USER MOD Single : B 108 DT C7 :methyl -30:sc= -0.816 (180deg=-6.85!) USER MOD Single : B 109 DT C7 :methyl -30:sc= 0 (180deg=-1.05) USER MOD Single : B 114 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 12 -11.303 -11.624 -3.504 1.00 0.00 N ATOM 2 CA ASN A 12 -11.479 -10.512 -2.553 1.00 0.00 C ATOM 3 C ASN A 12 -10.156 -9.798 -2.281 1.00 0.00 C ATOM 4 O ASN A 12 -9.087 -10.381 -2.444 1.00 0.00 O ATOM 5 CB ASN A 12 -12.125 -10.980 -1.240 1.00 0.00 C ATOM 6 CG ASN A 12 -11.214 -11.931 -0.463 1.00 0.00 C ATOM 7 OD1 ASN A 12 -10.767 -12.937 -1.009 1.00 0.00 O ATOM 8 ND2 ASN A 12 -10.923 -11.624 0.804 1.00 0.00 N ATOM 0 HA ASN A 12 -12.159 -9.799 -3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.358 -10.114 -0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.069 -11.479 -1.458 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.312 -12.233 1.349 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -11.311 -10.781 1.227 1.00 0.00 H new ATOM 17 N VAL A 13 -10.253 -8.530 -1.871 1.00 0.00 N ATOM 18 CA VAL A 13 -9.133 -7.626 -1.646 1.00 0.00 C ATOM 19 C VAL A 13 -9.115 -7.154 -0.197 1.00 0.00 C ATOM 20 O VAL A 13 -10.049 -7.424 0.547 1.00 0.00 O ATOM 21 CB VAL A 13 -9.277 -6.402 -2.567 1.00 0.00 C ATOM 22 CG1 VAL A 13 -9.086 -6.790 -4.030 1.00 0.00 C ATOM 23 CG2 VAL A 13 -10.628 -5.688 -2.413 1.00 0.00 C ATOM 0 H VAL A 13 -11.154 -8.092 -1.680 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.205 -8.155 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.494 -5.709 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.193 -5.906 -4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.091 -7.214 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.837 -7.528 -4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.667 -4.834 -3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.435 -6.380 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.742 -5.343 -1.385 1.00 0.00 H new ATOM 33 N LYS A 14 -8.046 -6.437 0.167 1.00 0.00 N ATOM 34 CA LYS A 14 -7.824 -5.762 1.435 1.00 0.00 C ATOM 35 C LYS A 14 -7.050 -4.492 1.088 1.00 0.00 C ATOM 36 O LYS A 14 -5.831 -4.518 0.933 1.00 0.00 O ATOM 37 CB LYS A 14 -7.131 -6.650 2.477 1.00 0.00 C ATOM 38 CG LYS A 14 -5.989 -7.526 1.952 1.00 0.00 C ATOM 39 CD LYS A 14 -5.504 -8.528 3.009 1.00 0.00 C ATOM 40 CE LYS A 14 -4.959 -7.851 4.272 1.00 0.00 C ATOM 41 NZ LYS A 14 -4.386 -8.837 5.205 1.00 0.00 N ATOM 0 H LYS A 14 -7.260 -6.309 -0.470 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.765 -5.515 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.739 -6.011 3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.881 -7.297 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.323 -8.066 1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.157 -6.892 1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.329 -9.186 3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.726 -9.156 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.196 -7.123 3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.760 -7.302 4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.026 -8.348 6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.121 -9.517 5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.606 -9.343 4.739 1.00 0.00 H new ATOM 55 N CYS A 15 -7.803 -3.402 0.909 1.00 0.00 N ATOM 56 CA CYS A 15 -7.353 -2.091 0.466 1.00 0.00 C ATOM 57 C CYS A 15 -6.006 -1.660 1.054 1.00 0.00 C ATOM 58 O CYS A 15 -5.849 -1.635 2.270 1.00 0.00 O ATOM 59 CB CYS A 15 -8.435 -1.086 0.859 1.00 0.00 C ATOM 60 SG CYS A 15 -8.085 0.610 0.369 1.00 0.00 S ATOM 0 H CYS A 15 -8.808 -3.420 1.083 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.196 -2.134 -0.612 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.380 -1.393 0.411 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.569 -1.119 1.940 1.00 0.00 H new ATOM 65 N PHE A 16 -5.048 -1.271 0.201 1.00 0.00 N ATOM 66 CA PHE A 16 -3.764 -0.733 0.635 1.00 0.00 C ATOM 67 C PHE A 16 -3.958 0.527 1.482 1.00 0.00 C ATOM 68 O PHE A 16 -3.334 0.686 2.529 1.00 0.00 O ATOM 69 CB PHE A 16 -2.925 -0.354 -0.591 1.00 0.00 C ATOM 70 CG PHE A 16 -2.458 -1.498 -1.466 1.00 0.00 C ATOM 71 CD1 PHE A 16 -1.530 -2.437 -0.981 1.00 0.00 C ATOM 72 CD2 PHE A 16 -2.884 -1.569 -2.803 1.00 0.00 C ATOM 73 CE1 PHE A 16 -0.944 -3.367 -1.860 1.00 0.00 C ATOM 74 CE2 PHE A 16 -2.231 -2.432 -3.693 1.00 0.00 C ATOM 75 CZ PHE A 16 -1.271 -3.339 -3.228 1.00 0.00 C ATOM 0 H PHE A 16 -5.149 -1.323 -0.813 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.262 -1.498 1.228 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.509 0.331 -1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.048 0.195 -0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.267 -2.444 0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.710 -0.962 -3.143 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.245 -4.100 -1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.470 -2.397 -4.746 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.784 -4.014 -3.916 1.00 0.00 H new ATOM 85 N ASN A 17 -4.831 1.420 1.006 1.00 0.00 N ATOM 86 CA ASN A 17 -5.072 2.731 1.582 1.00 0.00 C ATOM 87 C ASN A 17 -5.952 2.751 2.845 1.00 0.00 C ATOM 88 O ASN A 17 -6.171 3.828 3.394 1.00 0.00 O ATOM 89 CB ASN A 17 -5.630 3.629 0.469 1.00 0.00 C ATOM 90 CG ASN A 17 -5.619 5.108 0.843 1.00 0.00 C ATOM 91 OD1 ASN A 17 -4.771 5.552 1.612 1.00 0.00 O ATOM 92 ND2 ASN A 17 -6.558 5.875 0.289 1.00 0.00 N ATOM 0 H ASN A 17 -5.404 1.237 0.182 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.120 3.108 1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.043 3.484 -0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.651 3.324 0.240 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.591 6.873 0.499 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.243 5.464 -0.345 1.00 0.00 H new ATOM 99 N CYS A 18 -6.466 1.610 3.333 1.00 0.00 N ATOM 100 CA CYS A 18 -7.209 1.599 4.599 1.00 0.00 C ATOM 101 C CYS A 18 -7.211 0.237 5.308 1.00 0.00 C ATOM 102 O CYS A 18 -7.301 0.202 6.533 1.00 0.00 O ATOM 103 CB CYS A 18 -8.641 2.121 4.437 1.00 0.00 C ATOM 104 SG CYS A 18 -9.804 1.020 3.599 1.00 0.00 S ATOM 0 H CYS A 18 -6.382 0.701 2.879 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.662 2.286 5.244 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.037 2.347 5.427 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.602 3.061 3.887 1.00 0.00 H new ATOM 109 N GLY A 19 -7.145 -0.874 4.561 1.00 0.00 N ATOM 110 CA GLY A 19 -7.142 -2.233 5.092 1.00 0.00 C ATOM 111 C GLY A 19 -8.448 -2.958 4.785 1.00 0.00 C ATOM 112 O GLY A 19 -8.420 -4.135 4.429 1.00 0.00 O ATOM 0 H GLY A 19 -7.091 -0.845 3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.307 -2.789 4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.987 -2.203 6.170 1.00 0.00 H new ATOM 116 N LYS A 20 -9.588 -2.269 4.932 1.00 0.00 N ATOM 117 CA LYS A 20 -10.903 -2.877 4.772 1.00 0.00 C ATOM 118 C LYS A 20 -11.073 -3.465 3.368 1.00 0.00 C ATOM 119 O LYS A 20 -10.601 -2.906 2.377 1.00 0.00 O ATOM 120 CB LYS A 20 -12.023 -1.897 5.147 1.00 0.00 C ATOM 121 CG LYS A 20 -12.427 -2.030 6.624 1.00 0.00 C ATOM 122 CD LYS A 20 -11.294 -1.723 7.615 1.00 0.00 C ATOM 123 CE LYS A 20 -11.722 -1.984 9.067 1.00 0.00 C ATOM 124 NZ LYS A 20 -12.802 -1.082 9.504 1.00 0.00 N ATOM 0 H LYS A 20 -9.618 -1.276 5.165 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.979 -3.711 5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.694 -0.877 4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.892 -2.079 4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.261 -1.357 6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.785 -3.044 6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.425 -2.337 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.989 -0.682 7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.053 -3.018 9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.861 -1.861 9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.998 -1.239 10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.510 -0.095 9.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.661 -1.275 8.951 1.00 0.00 H new ATOM 138 N GLU A 21 -11.746 -4.619 3.322 1.00 0.00 N ATOM 139 CA GLU A 21 -11.941 -5.441 2.143 1.00 0.00 C ATOM 140 C GLU A 21 -13.017 -4.916 1.191 1.00 0.00 C ATOM 141 O GLU A 21 -13.635 -3.878 1.433 1.00 0.00 O ATOM 142 CB GLU A 21 -12.249 -6.871 2.618 1.00 0.00 C ATOM 143 CG GLU A 21 -11.119 -7.454 3.484 1.00 0.00 C ATOM 144 CD GLU A 21 -11.388 -8.915 3.824 1.00 0.00 C ATOM 145 OE1 GLU A 21 -11.453 -9.718 2.865 1.00 0.00 O ATOM 146 OE2 GLU A 21 -11.523 -9.207 5.032 1.00 0.00 O ATOM 0 H GLU A 21 -12.188 -5.017 4.151 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.027 -5.417 1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.178 -6.870 3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.408 -7.513 1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.170 -7.369 2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.025 -6.875 4.403 1.00 0.00 H new ATOM 153 N GLY A 22 -13.215 -5.647 0.086 1.00 0.00 N ATOM 154 CA GLY A 22 -14.229 -5.379 -0.923 1.00 0.00 C ATOM 155 C GLY A 22 -13.736 -4.393 -1.981 1.00 0.00 C ATOM 156 O GLY A 22 -13.902 -4.631 -3.178 1.00 0.00 O ATOM 0 H GLY A 22 -12.650 -6.468 -0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.517 -6.313 -1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.122 -4.979 -0.443 1.00 0.00 H new ATOM 160 N HIS A 23 -13.137 -3.287 -1.529 1.00 0.00 N ATOM 161 CA HIS A 23 -12.694 -2.179 -2.359 1.00 0.00 C ATOM 162 C HIS A 23 -11.168 -2.041 -2.330 1.00 0.00 C ATOM 163 O HIS A 23 -10.514 -2.622 -1.465 1.00 0.00 O ATOM 164 CB HIS A 23 -13.392 -0.912 -1.861 1.00 0.00 C ATOM 165 CG HIS A 23 -12.910 -0.480 -0.504 1.00 0.00 C ATOM 166 ND1 HIS A 23 -13.447 -0.951 0.684 1.00 0.00 N ATOM 167 CD2 HIS A 23 -11.893 0.363 -0.139 1.00 0.00 C ATOM 168 CE1 HIS A 23 -12.754 -0.377 1.683 1.00 0.00 C ATOM 169 NE2 HIS A 23 -11.794 0.442 1.244 1.00 0.00 N ATOM 0 H HIS A 23 -12.944 -3.140 -0.538 1.00 0.00 H new ATOM 0 HA HIS A 23 -12.961 -2.356 -3.401 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -13.225 -0.106 -2.575 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -14.467 -1.086 -1.822 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -11.256 0.893 -0.832 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -12.952 -0.559 2.729 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.140 0.997 1.796 1.00 0.00 H new ATOM 177 N THR A 24 -10.608 -1.265 -3.266 1.00 0.00 N ATOM 178 CA THR A 24 -9.166 -1.071 -3.426 1.00 0.00 C ATOM 179 C THR A 24 -8.765 0.391 -3.212 1.00 0.00 C ATOM 180 O THR A 24 -9.587 1.230 -2.848 1.00 0.00 O ATOM 181 CB THR A 24 -8.729 -1.578 -4.809 1.00 0.00 C ATOM 182 OG1 THR A 24 -9.387 -0.854 -5.828 1.00 0.00 O ATOM 183 CG2 THR A 24 -9.021 -3.065 -4.950 1.00 0.00 C ATOM 0 H THR A 24 -11.160 -0.744 -3.948 1.00 0.00 H new ATOM 0 HA THR A 24 -8.650 -1.650 -2.660 1.00 0.00 H new ATOM 0 HB THR A 24 -7.654 -1.425 -4.907 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.098 -1.186 -6.704 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.705 -3.406 -5.936 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.477 -3.617 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.091 -3.239 -4.832 1.00 0.00 H new ATOM 191 N ALA A 25 -7.477 0.678 -3.430 1.00 0.00 N ATOM 192 CA ALA A 25 -6.838 1.969 -3.226 1.00 0.00 C ATOM 193 C ALA A 25 -7.532 3.112 -3.980 1.00 0.00 C ATOM 194 O ALA A 25 -7.727 4.185 -3.408 1.00 0.00 O ATOM 195 CB ALA A 25 -5.369 1.837 -3.634 1.00 0.00 C ATOM 0 H ALA A 25 -6.823 -0.026 -3.772 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.919 2.238 -2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.864 2.793 -3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.887 1.077 -3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.307 1.548 -4.683 1.00 0.00 H new ATOM 201 N ARG A 26 -7.916 2.892 -5.246 1.00 0.00 N ATOM 202 CA ARG A 26 -8.653 3.880 -6.022 1.00 0.00 C ATOM 203 C ARG A 26 -10.036 4.149 -5.425 1.00 0.00 C ATOM 204 O ARG A 26 -10.437 5.305 -5.309 1.00 0.00 O ATOM 205 CB ARG A 26 -8.717 3.484 -7.507 1.00 0.00 C ATOM 206 CG ARG A 26 -9.304 2.097 -7.801 1.00 0.00 C ATOM 207 CD ARG A 26 -9.709 1.947 -9.271 1.00 0.00 C ATOM 208 NE ARG A 26 -8.605 2.243 -10.192 1.00 0.00 N ATOM 209 CZ ARG A 26 -8.720 2.454 -11.515 1.00 0.00 C ATOM 210 NH1 ARG A 26 -9.894 2.316 -12.147 1.00 0.00 N ATOM 211 NH2 ARG A 26 -7.638 2.807 -12.219 1.00 0.00 N ATOM 0 H ARG A 26 -7.722 2.027 -5.751 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.108 4.823 -5.969 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.310 4.229 -8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.709 3.526 -7.919 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.571 1.331 -7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.174 1.929 -7.166 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.061 0.930 -9.446 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.544 2.614 -9.484 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.668 2.293 -9.793 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.726 2.045 -11.623 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.955 2.482 -13.152 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.738 2.913 -11.751 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.714 2.970 -13.223 1.00 0.00 H new ATOM 225 N ASN A 27 -10.749 3.090 -5.030 1.00 0.00 N ATOM 226 CA ASN A 27 -12.115 3.156 -4.529 1.00 0.00 C ATOM 227 C ASN A 27 -12.199 3.736 -3.114 1.00 0.00 C ATOM 228 O ASN A 27 -13.236 4.273 -2.732 1.00 0.00 O ATOM 229 CB ASN A 27 -12.711 1.747 -4.506 1.00 0.00 C ATOM 230 CG ASN A 27 -12.896 1.137 -5.890 1.00 0.00 C ATOM 231 OD1 ASN A 27 -13.875 1.426 -6.570 1.00 0.00 O ATOM 232 ND2 ASN A 27 -11.975 0.263 -6.302 1.00 0.00 N ATOM 0 H ASN A 27 -10.377 2.140 -5.053 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.669 3.816 -5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.064 1.098 -3.916 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.676 1.779 -4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.072 -0.190 -7.211 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.174 0.048 -5.708 1.00 0.00 H new ATOM 239 N CYS A 28 -11.117 3.597 -2.340 1.00 0.00 N ATOM 240 CA CYS A 28 -11.005 3.958 -0.935 1.00 0.00 C ATOM 241 C CYS A 28 -11.583 5.315 -0.524 1.00 0.00 C ATOM 242 O CYS A 28 -12.145 5.410 0.565 1.00 0.00 O ATOM 243 CB CYS A 28 -9.538 3.886 -0.511 1.00 0.00 C ATOM 244 SG CYS A 28 -9.323 3.845 1.283 1.00 0.00 S ATOM 0 H CYS A 28 -10.249 3.206 -2.705 1.00 0.00 H new ATOM 0 HA CYS A 28 -11.628 3.229 -0.417 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.083 2.996 -0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.006 4.747 -0.916 1.00 0.00 H new ATOM 249 N ARG A 29 -11.399 6.355 -1.348 1.00 0.00 N ATOM 250 CA ARG A 29 -11.785 7.727 -1.051 1.00 0.00 C ATOM 251 C ARG A 29 -11.308 8.134 0.350 1.00 0.00 C ATOM 252 O ARG A 29 -12.089 8.563 1.196 1.00 0.00 O ATOM 253 CB ARG A 29 -13.287 7.880 -1.263 1.00 0.00 C ATOM 254 CG ARG A 29 -13.667 7.862 -2.747 1.00 0.00 C ATOM 255 CD ARG A 29 -15.173 8.093 -2.903 1.00 0.00 C ATOM 256 NE ARG A 29 -15.577 7.939 -4.304 1.00 0.00 N ATOM 257 CZ ARG A 29 -16.767 8.272 -4.827 1.00 0.00 C ATOM 258 NH1 ARG A 29 -17.718 8.835 -4.067 1.00 0.00 N ATOM 259 NH2 ARG A 29 -17.002 8.033 -6.123 1.00 0.00 N ATOM 0 H ARG A 29 -10.964 6.254 -2.265 1.00 0.00 H new ATOM 0 HA ARG A 29 -11.294 8.419 -1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.809 7.075 -0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -13.622 8.816 -0.815 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.115 8.634 -3.282 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.389 6.906 -3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.721 7.385 -2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -15.431 9.092 -2.552 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.888 7.541 -4.942 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -17.541 9.015 -3.079 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -18.618 9.083 -4.477 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.280 7.602 -6.701 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.903 8.282 -6.532 1.00 0.00 H new ATOM 273 N ALA A 30 -9.998 7.981 0.567 1.00 0.00 N ATOM 274 CA ALA A 30 -9.265 8.372 1.763 1.00 0.00 C ATOM 275 C ALA A 30 -7.941 8.977 1.284 1.00 0.00 C ATOM 276 O ALA A 30 -7.513 8.650 0.174 1.00 0.00 O ATOM 277 CB ALA A 30 -9.028 7.130 2.640 1.00 0.00 C ATOM 0 H ALA A 30 -9.390 7.555 -0.132 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.813 9.097 2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.479 7.417 3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.987 6.697 2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.449 6.395 2.081 1.00 0.00 H new ATOM 283 N PRO A 31 -7.278 9.845 2.071 1.00 0.00 N ATOM 284 CA PRO A 31 -5.984 10.405 1.704 1.00 0.00 C ATOM 285 C PRO A 31 -5.008 9.268 1.400 1.00 0.00 C ATOM 286 O PRO A 31 -4.817 8.378 2.227 1.00 0.00 O ATOM 287 CB PRO A 31 -5.543 11.270 2.890 1.00 0.00 C ATOM 288 CG PRO A 31 -6.357 10.724 4.063 1.00 0.00 C ATOM 289 CD PRO A 31 -7.663 10.293 3.398 1.00 0.00 C ATOM 0 HA PRO A 31 -6.025 11.019 0.804 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.472 11.183 3.072 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.752 12.325 2.715 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.855 9.887 4.549 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.524 11.483 4.828 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.147 9.494 3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.371 11.120 3.346 1.00 0.00 H new ATOM 297 N ARG A 32 -4.399 9.307 0.209 1.00 0.00 N ATOM 298 CA ARG A 32 -3.538 8.245 -0.285 1.00 0.00 C ATOM 299 C ARG A 32 -2.089 8.474 0.146 1.00 0.00 C ATOM 300 O ARG A 32 -1.730 9.550 0.623 1.00 0.00 O ATOM 301 CB ARG A 32 -3.673 8.131 -1.811 1.00 0.00 C ATOM 302 CG ARG A 32 -5.122 7.837 -2.231 1.00 0.00 C ATOM 303 CD ARG A 32 -5.196 7.486 -3.718 1.00 0.00 C ATOM 304 NE ARG A 32 -6.561 7.152 -4.157 1.00 0.00 N ATOM 305 CZ ARG A 32 -7.507 8.050 -4.490 1.00 0.00 C ATOM 306 NH1 ARG A 32 -7.317 9.355 -4.256 1.00 0.00 N ATOM 307 NH2 ARG A 32 -8.645 7.651 -5.076 1.00 0.00 N ATOM 0 H ARG A 32 -4.496 10.088 -0.440 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.853 7.297 0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.340 9.059 -2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.020 7.339 -2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.517 7.012 -1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.748 8.705 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.826 8.327 -4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.537 6.642 -3.921 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.809 6.164 -4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.451 9.675 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.039 10.029 -4.511 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.798 6.662 -5.272 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.358 8.337 -5.326 1.00 0.00 H new ATOM 321 N LYS A 33 -1.260 7.438 -0.022 1.00 0.00 N ATOM 322 CA LYS A 33 0.117 7.425 0.432 1.00 0.00 C ATOM 323 C LYS A 33 1.039 7.978 -0.655 1.00 0.00 C ATOM 324 O LYS A 33 0.586 8.423 -1.710 1.00 0.00 O ATOM 325 CB LYS A 33 0.505 5.974 0.768 1.00 0.00 C ATOM 326 CG LYS A 33 -0.475 5.218 1.680 1.00 0.00 C ATOM 327 CD LYS A 33 -0.746 5.955 2.987 1.00 0.00 C ATOM 328 CE LYS A 33 -1.623 5.103 3.911 1.00 0.00 C ATOM 329 NZ LYS A 33 -2.010 5.843 5.126 1.00 0.00 N ATOM 0 H LYS A 33 -1.541 6.575 -0.486 1.00 0.00 H new ATOM 0 HA LYS A 33 0.221 8.053 1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.607 5.419 -0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.485 5.980 1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.416 5.067 1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.071 4.230 1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.197 6.187 3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.240 6.904 2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.519 4.788 3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.085 4.198 4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.603 5.236 5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.156 6.122 5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.545 6.694 4.859 1.00 0.00 H new ATOM 343 N LYS A 34 2.345 7.943 -0.377 1.00 0.00 N ATOM 344 CA LYS A 34 3.418 8.306 -1.293 1.00 0.00 C ATOM 345 C LYS A 34 4.510 7.240 -1.179 1.00 0.00 C ATOM 346 O LYS A 34 4.940 6.685 -2.189 1.00 0.00 O ATOM 347 CB LYS A 34 3.965 9.710 -0.991 1.00 0.00 C ATOM 348 CG LYS A 34 3.004 10.836 -1.405 1.00 0.00 C ATOM 349 CD LYS A 34 2.097 11.306 -0.258 1.00 0.00 C ATOM 350 CE LYS A 34 0.988 12.240 -0.761 1.00 0.00 C ATOM 351 NZ LYS A 34 1.524 13.467 -1.376 1.00 0.00 N ATOM 0 H LYS A 34 2.694 7.647 0.535 1.00 0.00 H new ATOM 0 HA LYS A 34 3.040 8.343 -2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.171 9.791 0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.914 9.842 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.583 11.683 -1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.384 10.491 -2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.650 10.441 0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.696 11.822 0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.373 11.711 -1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.337 12.508 0.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.738 14.096 -1.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.144 13.953 -0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.068 13.220 -2.227 1.00 0.00 H new ATOM 365 N GLY A 35 4.929 6.938 0.057 1.00 0.00 N ATOM 366 CA GLY A 35 5.895 5.894 0.357 1.00 0.00 C ATOM 367 C GLY A 35 5.332 4.489 0.122 1.00 0.00 C ATOM 368 O GLY A 35 4.222 4.324 -0.386 1.00 0.00 O ATOM 0 H GLY A 35 4.594 7.427 0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.781 6.035 -0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.213 5.985 1.395 1.00 0.00 H new ATOM 372 N CYS A 36 6.117 3.473 0.500 1.00 0.00 N ATOM 373 CA CYS A 36 5.810 2.070 0.263 1.00 0.00 C ATOM 374 C CYS A 36 4.563 1.630 1.027 1.00 0.00 C ATOM 375 O CYS A 36 4.501 1.781 2.243 1.00 0.00 O ATOM 376 CB CYS A 36 7.015 1.219 0.664 1.00 0.00 C ATOM 377 SG CYS A 36 6.951 -0.496 0.122 1.00 0.00 S ATOM 0 H CYS A 36 7.001 3.614 0.989 1.00 0.00 H new ATOM 0 HA CYS A 36 5.601 1.933 -0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.916 1.679 0.259 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.108 1.238 1.750 1.00 0.00 H new ATOM 382 N TRP A 37 3.579 1.068 0.318 1.00 0.00 N ATOM 383 CA TRP A 37 2.330 0.593 0.863 1.00 0.00 C ATOM 384 C TRP A 37 2.549 -0.631 1.756 1.00 0.00 C ATOM 385 O TRP A 37 2.092 -0.652 2.897 1.00 0.00 O ATOM 386 CB TRP A 37 1.445 0.233 -0.337 1.00 0.00 C ATOM 387 CG TRP A 37 0.550 1.261 -0.952 1.00 0.00 C ATOM 388 CD1 TRP A 37 0.207 2.452 -0.425 1.00 0.00 C ATOM 389 CD2 TRP A 37 -0.146 1.185 -2.230 1.00 0.00 C ATOM 390 NE1 TRP A 37 -0.699 3.093 -1.243 1.00 0.00 N ATOM 391 CE2 TRP A 37 -0.965 2.341 -2.368 1.00 0.00 C ATOM 392 CE3 TRP A 37 -0.185 0.243 -3.278 1.00 0.00 C ATOM 393 CZ2 TRP A 37 -1.814 2.531 -3.467 1.00 0.00 C ATOM 394 CZ3 TRP A 37 -0.998 0.447 -4.407 1.00 0.00 C ATOM 395 CH2 TRP A 37 -1.830 1.574 -4.494 1.00 0.00 C ATOM 0 H TRP A 37 3.646 0.932 -0.691 1.00 0.00 H new ATOM 0 HA TRP A 37 1.863 1.356 1.487 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.103 -0.134 -1.124 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.815 -0.603 -0.033 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.587 2.848 0.505 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.117 4.002 -1.043 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.419 -0.650 -3.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.448 3.403 -3.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.982 -0.270 -5.214 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.479 1.704 -5.347 1.00 0.00 H new ATOM 406 N LYS A 38 3.228 -1.654 1.225 1.00 0.00 N ATOM 407 CA LYS A 38 3.423 -2.932 1.896 1.00 0.00 C ATOM 408 C LYS A 38 4.303 -2.797 3.141 1.00 0.00 C ATOM 409 O LYS A 38 3.821 -2.961 4.260 1.00 0.00 O ATOM 410 CB LYS A 38 3.987 -3.952 0.890 1.00 0.00 C ATOM 411 CG LYS A 38 2.850 -4.594 0.089 1.00 0.00 C ATOM 412 CD LYS A 38 3.394 -5.656 -0.878 1.00 0.00 C ATOM 413 CE LYS A 38 2.285 -6.294 -1.726 1.00 0.00 C ATOM 414 NZ LYS A 38 1.343 -7.085 -0.913 1.00 0.00 N ATOM 0 H LYS A 38 3.662 -1.611 0.303 1.00 0.00 H new ATOM 0 HA LYS A 38 2.459 -3.294 2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.684 -3.458 0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.548 -4.722 1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.132 -5.050 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.315 -3.827 -0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.134 -5.200 -1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.907 -6.433 -0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.738 -5.512 -2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.734 -6.935 -2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.653 -7.551 -1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.867 -7.806 -0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.843 -6.457 -0.251 1.00 0.00 H new ATOM 428 N CYS A 39 5.596 -2.527 2.942 1.00 0.00 N ATOM 429 CA CYS A 39 6.580 -2.476 4.027 1.00 0.00 C ATOM 430 C CYS A 39 6.505 -1.181 4.843 1.00 0.00 C ATOM 431 O CYS A 39 6.822 -1.215 6.030 1.00 0.00 O ATOM 432 CB CYS A 39 8.003 -2.834 3.586 1.00 0.00 C ATOM 433 SG CYS A 39 8.298 -3.276 1.859 1.00 0.00 S ATOM 0 H CYS A 39 5.991 -2.337 2.021 1.00 0.00 H new ATOM 0 HA CYS A 39 6.292 -3.273 4.712 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.645 -1.985 3.823 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.338 -3.669 4.202 1.00 0.00 H new ATOM 438 N GLY A 40 6.103 -0.054 4.237 1.00 0.00 N ATOM 439 CA GLY A 40 5.891 1.196 4.961 1.00 0.00 C ATOM 440 C GLY A 40 6.912 2.275 4.609 1.00 0.00 C ATOM 441 O GLY A 40 6.535 3.433 4.446 1.00 0.00 O ATOM 0 H GLY A 40 5.918 0.011 3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.890 1.568 4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.934 1.000 6.032 1.00 0.00 H new ATOM 445 N LYS A 41 8.197 1.905 4.513 1.00 0.00 N ATOM 446 CA LYS A 41 9.280 2.860 4.299 1.00 0.00 C ATOM 447 C LYS A 41 9.070 3.729 3.062 1.00 0.00 C ATOM 448 O LYS A 41 8.633 3.254 2.017 1.00 0.00 O ATOM 449 CB LYS A 41 10.643 2.165 4.227 1.00 0.00 C ATOM 450 CG LYS A 41 11.055 1.584 5.583 1.00 0.00 C ATOM 451 CD LYS A 41 12.577 1.658 5.784 1.00 0.00 C ATOM 452 CE LYS A 41 13.379 0.699 4.898 1.00 0.00 C ATOM 453 NZ LYS A 41 13.288 -0.693 5.369 1.00 0.00 N ATOM 0 H LYS A 41 8.509 0.936 4.582 1.00 0.00 H new ATOM 0 HA LYS A 41 9.267 3.518 5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.606 1.367 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.397 2.877 3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.554 2.130 6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.727 0.547 5.651 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.908 2.678 5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.804 1.445 6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.012 0.760 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.424 1.009 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.018 -1.266 4.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.433 -0.721 6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.348 -1.076 5.141 1.00 0.00 H new ATOM 467 N GLU A 42 9.395 5.013 3.206 1.00 0.00 N ATOM 468 CA GLU A 42 9.204 6.030 2.188 1.00 0.00 C ATOM 469 C GLU A 42 10.470 6.216 1.352 1.00 0.00 C ATOM 470 O GLU A 42 11.421 5.441 1.457 1.00 0.00 O ATOM 471 CB GLU A 42 8.677 7.330 2.821 1.00 0.00 C ATOM 472 CG GLU A 42 9.672 8.062 3.735 1.00 0.00 C ATOM 473 CD GLU A 42 9.825 7.388 5.098 1.00 0.00 C ATOM 474 OE1 GLU A 42 10.705 6.506 5.203 1.00 0.00 O ATOM 475 OE2 GLU A 42 9.047 7.754 6.004 1.00 0.00 O ATOM 0 H GLU A 42 9.811 5.379 4.062 1.00 0.00 H new ATOM 0 HA GLU A 42 8.438 5.700 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.375 8.008 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.782 7.098 3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.645 8.107 3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.340 9.090 3.878 1.00 0.00 H new ATOM 482 N GLY A 43 10.454 7.235 0.487 1.00 0.00 N ATOM 483 CA GLY A 43 11.519 7.498 -0.469 1.00 0.00 C ATOM 484 C GLY A 43 11.489 6.514 -1.645 1.00 0.00 C ATOM 485 O GLY A 43 12.378 6.553 -2.493 1.00 0.00 O ATOM 0 H GLY A 43 9.688 7.906 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.425 8.517 -0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.483 7.432 0.035 1.00 0.00 H new ATOM 489 N HIS A 44 10.475 5.638 -1.697 1.00 0.00 N ATOM 490 CA HIS A 44 10.285 4.626 -2.720 1.00 0.00 C ATOM 491 C HIS A 44 8.853 4.090 -2.598 1.00 0.00 C ATOM 492 O HIS A 44 8.320 4.025 -1.490 1.00 0.00 O ATOM 493 CB HIS A 44 11.327 3.505 -2.556 1.00 0.00 C ATOM 494 CG HIS A 44 11.217 2.719 -1.271 1.00 0.00 C ATOM 495 ND1 HIS A 44 12.051 2.897 -0.174 1.00 0.00 N ATOM 496 CD2 HIS A 44 10.373 1.703 -0.910 1.00 0.00 C ATOM 497 CE1 HIS A 44 11.703 1.977 0.748 1.00 0.00 C ATOM 498 NE2 HIS A 44 10.660 1.237 0.369 1.00 0.00 N ATOM 0 H HIS A 44 9.738 5.624 -0.992 1.00 0.00 H new ATOM 0 HA HIS A 44 10.425 5.051 -3.714 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.234 2.816 -3.396 1.00 0.00 H new ATOM 0 HB3 HIS A 44 12.323 3.944 -2.613 1.00 0.00 H new ATOM 0 HD2 HIS A 44 9.585 1.313 -1.538 1.00 0.00 H new ATOM 0 HE1 HIS A 44 12.214 1.853 1.692 1.00 0.00 H new ATOM 0 HE2 HIS A 44 10.185 0.502 0.893 1.00 0.00 H new ATOM 506 N GLN A 45 8.231 3.711 -3.720 1.00 0.00 N ATOM 507 CA GLN A 45 6.912 3.084 -3.732 1.00 0.00 C ATOM 508 C GLN A 45 7.074 1.577 -3.547 1.00 0.00 C ATOM 509 O GLN A 45 8.181 1.060 -3.627 1.00 0.00 O ATOM 510 CB GLN A 45 6.197 3.366 -5.060 1.00 0.00 C ATOM 511 CG GLN A 45 5.868 4.853 -5.235 1.00 0.00 C ATOM 512 CD GLN A 45 5.329 5.152 -6.632 1.00 0.00 C ATOM 513 OE1 GLN A 45 5.808 6.066 -7.299 1.00 0.00 O ATOM 514 NE2 GLN A 45 4.335 4.386 -7.082 1.00 0.00 N ATOM 0 H GLN A 45 8.634 3.833 -4.649 1.00 0.00 H new ATOM 0 HA GLN A 45 6.313 3.496 -2.920 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.825 3.035 -5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.277 2.784 -5.106 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.132 5.153 -4.489 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.764 5.447 -5.056 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.964 3.637 -6.498 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.945 4.549 -8.010 1.00 0.00 H new ATOM 523 N MET A 46 5.969 0.860 -3.330 1.00 0.00 N ATOM 524 CA MET A 46 5.950 -0.592 -3.241 1.00 0.00 C ATOM 525 C MET A 46 6.438 -1.206 -4.552 1.00 0.00 C ATOM 526 O MET A 46 7.226 -2.148 -4.527 1.00 0.00 O ATOM 527 CB MET A 46 4.563 -1.046 -2.776 1.00 0.00 C ATOM 528 CG MET A 46 4.379 -2.565 -2.764 1.00 0.00 C ATOM 529 SD MET A 46 4.010 -3.365 -4.352 1.00 0.00 S ATOM 530 CE MET A 46 2.338 -2.740 -4.664 1.00 0.00 C ATOM 0 H MET A 46 5.049 1.285 -3.210 1.00 0.00 H new ATOM 0 HA MET A 46 6.649 -0.958 -2.489 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.383 -0.660 -1.773 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.809 -0.604 -3.428 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.288 -3.013 -2.363 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.573 -2.803 -2.070 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.881 -3.310 -5.473 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.736 -2.845 -3.761 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.389 -1.688 -4.946 1.00 0.00 H new ATOM 540 N LYS A 47 6.000 -0.643 -5.681 1.00 0.00 N ATOM 541 CA LYS A 47 6.455 -1.021 -7.014 1.00 0.00 C ATOM 542 C LYS A 47 7.988 -1.006 -7.091 1.00 0.00 C ATOM 543 O LYS A 47 8.593 -1.928 -7.634 1.00 0.00 O ATOM 544 CB LYS A 47 5.883 -0.050 -8.057 1.00 0.00 C ATOM 545 CG LYS A 47 4.354 0.089 -8.031 1.00 0.00 C ATOM 546 CD LYS A 47 3.593 -1.233 -8.196 1.00 0.00 C ATOM 547 CE LYS A 47 3.890 -1.973 -9.507 1.00 0.00 C ATOM 548 NZ LYS A 47 3.513 -1.193 -10.701 1.00 0.00 N ATOM 0 H LYS A 47 5.305 0.103 -5.690 1.00 0.00 H new ATOM 0 HA LYS A 47 6.103 -2.032 -7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.327 0.933 -7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.188 -0.383 -9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.059 0.548 -7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.050 0.770 -8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.839 -1.887 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.523 -1.032 -8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.953 -2.209 -9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.353 -2.921 -9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.048 -1.537 -11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.494 -1.303 -10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.730 -0.188 -10.542 1.00 0.00 H new ATOM 562 N ASP A 48 8.601 0.052 -6.546 1.00 0.00 N ATOM 563 CA ASP A 48 10.033 0.316 -6.590 1.00 0.00 C ATOM 564 C ASP A 48 10.808 -0.581 -5.622 1.00 0.00 C ATOM 565 O ASP A 48 11.868 -1.103 -5.958 1.00 0.00 O ATOM 566 CB ASP A 48 10.274 1.773 -6.168 1.00 0.00 C ATOM 567 CG ASP A 48 9.513 2.810 -6.986 1.00 0.00 C ATOM 568 OD1 ASP A 48 9.208 2.520 -8.164 1.00 0.00 O ATOM 569 OD2 ASP A 48 9.246 3.885 -6.406 1.00 0.00 O ATOM 0 H ASP A 48 8.085 0.774 -6.043 1.00 0.00 H new ATOM 0 HA ASP A 48 10.379 0.120 -7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.997 1.883 -5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.341 1.986 -6.240 1.00 0.00 H new ATOM 574 N CYS A 49 10.265 -0.700 -4.407 1.00 0.00 N ATOM 575 CA CYS A 49 10.804 -1.366 -3.236 1.00 0.00 C ATOM 576 C CYS A 49 11.551 -2.679 -3.478 1.00 0.00 C ATOM 577 O CYS A 49 11.136 -3.507 -4.286 1.00 0.00 O ATOM 578 CB CYS A 49 9.686 -1.582 -2.217 1.00 0.00 C ATOM 579 SG CYS A 49 10.377 -1.809 -0.580 1.00 0.00 S ATOM 0 H CYS A 49 9.352 -0.291 -4.209 1.00 0.00 H new ATOM 0 HA CYS A 49 11.573 -0.690 -2.863 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.011 -0.726 -2.219 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.095 -2.455 -2.494 1.00 0.00 H new ATOM 584 N THR A 50 12.640 -2.862 -2.717 1.00 0.00 N ATOM 585 CA THR A 50 13.463 -4.068 -2.680 1.00 0.00 C ATOM 586 C THR A 50 13.805 -4.442 -1.234 1.00 0.00 C ATOM 587 O THR A 50 14.931 -4.829 -0.928 1.00 0.00 O ATOM 588 CB THR A 50 14.724 -3.874 -3.531 1.00 0.00 C ATOM 589 OG1 THR A 50 15.519 -2.829 -3.009 1.00 0.00 O ATOM 590 CG2 THR A 50 14.338 -3.549 -4.970 1.00 0.00 C ATOM 0 H THR A 50 12.982 -2.138 -2.085 1.00 0.00 H new ATOM 0 HA THR A 50 12.898 -4.898 -3.106 1.00 0.00 H new ATOM 0 HB THR A 50 15.299 -4.800 -3.509 1.00 0.00 H new ATOM 0 HG1 THR A 50 16.320 -2.720 -3.563 1.00 0.00 H new ATOM 0 HG21 THR A 50 15.240 -3.413 -5.567 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.750 -4.369 -5.383 1.00 0.00 H new ATOM 0 HG23 THR A 50 13.748 -2.633 -4.990 1.00 0.00 H new ATOM 598 N GLU A 51 12.812 -4.314 -0.351 1.00 0.00 N ATOM 599 CA GLU A 51 12.881 -4.717 1.048 1.00 0.00 C ATOM 600 C GLU A 51 12.583 -6.220 1.079 1.00 0.00 C ATOM 601 O GLU A 51 13.501 -7.037 1.083 1.00 0.00 O ATOM 602 CB GLU A 51 11.857 -3.916 1.869 1.00 0.00 C ATOM 603 CG GLU A 51 12.298 -2.485 2.189 1.00 0.00 C ATOM 604 CD GLU A 51 11.240 -1.756 3.004 1.00 0.00 C ATOM 605 OE1 GLU A 51 11.179 -2.009 4.226 1.00 0.00 O ATOM 606 OE2 GLU A 51 10.484 -0.971 2.393 1.00 0.00 O ATOM 0 H GLU A 51 11.909 -3.913 -0.603 1.00 0.00 H new ATOM 0 HA GLU A 51 13.860 -4.519 1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.915 -3.881 1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.663 -4.443 2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.237 -2.505 2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.485 -1.943 1.262 1.00 0.00 H new ATOM 613 N ARG A 52 11.290 -6.565 1.084 1.00 0.00 N ATOM 614 CA ARG A 52 10.766 -7.919 0.995 1.00 0.00 C ATOM 615 C ARG A 52 9.504 -7.818 0.141 1.00 0.00 C ATOM 616 O ARG A 52 8.400 -7.658 0.661 1.00 0.00 O ATOM 617 CB ARG A 52 10.476 -8.516 2.376 1.00 0.00 C ATOM 618 CG ARG A 52 11.741 -8.691 3.227 1.00 0.00 C ATOM 619 CD ARG A 52 11.528 -9.677 4.384 1.00 0.00 C ATOM 620 NE ARG A 52 10.409 -9.283 5.256 1.00 0.00 N ATOM 621 CZ ARG A 52 9.164 -9.794 5.241 1.00 0.00 C ATOM 622 NH1 ARG A 52 8.820 -10.779 4.400 1.00 0.00 N ATOM 623 NH2 ARG A 52 8.244 -9.304 6.082 1.00 0.00 N ATOM 0 H ARG A 52 10.550 -5.867 1.154 1.00 0.00 H new ATOM 0 HA ARG A 52 11.495 -8.594 0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.774 -7.871 2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.990 -9.484 2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.556 -9.045 2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.045 -7.724 3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.338 -10.672 3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.441 -9.742 4.976 1.00 0.00 H new ATOM 0 HE ARG A 52 10.596 -8.550 5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.509 -11.159 3.751 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.869 -11.149 4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.490 -8.551 6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.297 -9.683 6.080 1.00 0.00 H new ATOM 637 N GLN A 53 9.690 -7.850 -1.182 1.00 0.00 N ATOM 638 CA GLN A 53 8.624 -7.658 -2.151 1.00 0.00 C ATOM 639 C GLN A 53 7.573 -8.761 -2.013 1.00 0.00 C ATOM 640 O GLN A 53 7.909 -9.943 -2.037 1.00 0.00 O ATOM 641 CB GLN A 53 9.217 -7.580 -3.559 1.00 0.00 C ATOM 642 CG GLN A 53 8.208 -6.990 -4.553 1.00 0.00 C ATOM 643 CD GLN A 53 7.948 -5.492 -4.376 1.00 0.00 C ATOM 644 OE1 GLN A 53 8.513 -4.839 -3.501 1.00 0.00 O ATOM 645 NE2 GLN A 53 7.078 -4.937 -5.220 1.00 0.00 N ATOM 0 H GLN A 53 10.602 -8.013 -1.609 1.00 0.00 H new ATOM 0 HA GLN A 53 8.113 -6.714 -1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.118 -6.967 -3.544 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.515 -8.576 -3.887 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.569 -7.166 -5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.263 -7.525 -4.454 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.626 -5.507 -5.935 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.864 -3.942 -5.151 1.00 0.00 H new ATOM 654 N ALA A 54 6.311 -8.351 -1.835 1.00 0.00 N ATOM 655 CA ALA A 54 5.175 -9.228 -1.575 1.00 0.00 C ATOM 656 C ALA A 54 5.350 -10.044 -0.287 1.00 0.00 C ATOM 657 O ALA A 54 4.784 -11.129 -0.172 1.00 0.00 O ATOM 658 CB ALA A 54 4.882 -10.108 -2.799 1.00 0.00 C ATOM 0 H ALA A 54 6.050 -7.366 -1.870 1.00 0.00 H new ATOM 0 HA ALA A 54 4.300 -8.601 -1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.031 -10.756 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.651 -9.475 -3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.756 -10.719 -3.025 1.00 0.00 H new ATOM 664 N ASN A 55 6.107 -9.504 0.682 1.00 0.00 N ATOM 665 CA ASN A 55 6.402 -10.116 1.970 1.00 0.00 C ATOM 666 C ASN A 55 7.131 -11.451 1.784 1.00 0.00 C ATOM 667 O ASN A 55 6.465 -12.505 1.889 1.00 0.00 O ATOM 668 CB ASN A 55 5.132 -10.211 2.832 1.00 0.00 C ATOM 669 CG ASN A 55 5.439 -10.626 4.270 1.00 0.00 C ATOM 670 OD1 ASN A 55 5.506 -9.787 5.165 1.00 0.00 O ATOM 671 ND2 ASN A 55 5.639 -11.924 4.499 1.00 0.00 N ATOM 672 OXT ASN A 55 8.360 -11.393 1.562 1.00 0.00 O ATOM 0 H ASN A 55 6.545 -8.589 0.576 1.00 0.00 H new ATOM 0 HA ASN A 55 7.090 -9.478 2.524 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.624 -9.247 2.835 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.446 -10.931 2.387 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.856 -12.248 5.442 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.575 -12.593 3.732 1.00 0.00 H new TER 679 ASN A 55 HETATM 680 ZN ZN A 56 -9.759 1.662 1.431 1.00 0.00 ZN HETATM 681 ZN ZN A 57 8.855 -1.295 0.988 1.00 0.00 ZN ATOM 682 O5' DG B 101 -20.896 -0.787 -2.276 1.00 0.00 O ATOM 683 C5' DG B 101 -21.378 -0.095 -3.406 1.00 0.00 C ATOM 684 C4' DG B 101 -22.174 -0.965 -4.401 1.00 0.00 C ATOM 685 O4' DG B 101 -21.370 -1.325 -5.510 1.00 0.00 O ATOM 686 C3' DG B 101 -22.698 -2.278 -3.817 1.00 0.00 C ATOM 687 O3' DG B 101 -23.936 -2.654 -4.410 1.00 0.00 O ATOM 688 C2' DG B 101 -21.592 -3.257 -4.206 1.00 0.00 C ATOM 689 C1' DG B 101 -20.683 -2.515 -5.189 1.00 0.00 C ATOM 690 N9 DG B 101 -19.301 -2.209 -4.722 1.00 0.00 N ATOM 691 C8 DG B 101 -18.726 -2.361 -3.481 1.00 0.00 C ATOM 692 N7 DG B 101 -17.481 -1.986 -3.410 1.00 0.00 N ATOM 693 C5 DG B 101 -17.195 -1.548 -4.694 1.00 0.00 C ATOM 694 C6 DG B 101 -15.986 -1.004 -5.221 1.00 0.00 C ATOM 695 O6 DG B 101 -14.913 -0.841 -4.647 1.00 0.00 O ATOM 696 N1 DG B 101 -16.113 -0.634 -6.556 1.00 0.00 N ATOM 697 C2 DG B 101 -17.248 -0.827 -7.320 1.00 0.00 C ATOM 698 N2 DG B 101 -17.177 -0.464 -8.606 1.00 0.00 N ATOM 699 N3 DG B 101 -18.381 -1.363 -6.831 1.00 0.00 N ATOM 700 C4 DG B 101 -18.296 -1.684 -5.507 1.00 0.00 C ATOM 0 H5' DG B 101 -20.533 0.352 -3.930 1.00 0.00 H new ATOM 0 H5'' DG B 101 -22.014 0.724 -3.070 1.00 0.00 H new ATOM 0 H4' DG B 101 -23.021 -0.338 -4.679 1.00 0.00 H new ATOM 0 H3' DG B 101 -22.898 -2.231 -2.747 1.00 0.00 H new ATOM 0 H2' DG B 101 -21.033 -3.580 -3.328 1.00 0.00 H new ATOM 0 H2'' DG B 101 -22.010 -4.153 -4.665 1.00 0.00 H new ATOM 0 HO5' DG B 101 -19.975 -1.078 -2.439 1.00 0.00 H new ATOM 0 H1' DG B 101 -20.504 -3.173 -6.039 1.00 0.00 H new ATOM 0 H8 DG B 101 -19.264 -2.759 -2.634 1.00 0.00 H new ATOM 0 H1 DG B 101 -15.311 -0.189 -7.003 1.00 0.00 H new ATOM 0 H21 DG B 101 -17.986 -0.585 -9.215 1.00 0.00 H new ATOM 0 H22 DG B 101 -16.314 -0.067 -8.977 1.00 0.00 H new ATOM 713 P DT B 102 -24.950 -3.680 -3.664 1.00 0.00 P ATOM 714 OP1 DT B 102 -26.236 -3.628 -4.395 1.00 0.00 O ATOM 715 OP2 DT B 102 -24.932 -3.386 -2.213 1.00 0.00 O ATOM 716 O5' DT B 102 -24.312 -5.155 -3.880 1.00 0.00 O ATOM 717 C5' DT B 102 -25.033 -6.204 -4.509 1.00 0.00 C ATOM 718 C4' DT B 102 -24.212 -7.501 -4.682 1.00 0.00 C ATOM 719 O4' DT B 102 -23.788 -7.618 -6.038 1.00 0.00 O ATOM 720 C3' DT B 102 -22.955 -7.596 -3.790 1.00 0.00 C ATOM 721 O3' DT B 102 -22.773 -8.923 -3.322 1.00 0.00 O ATOM 722 C2' DT B 102 -21.909 -7.191 -4.825 1.00 0.00 C ATOM 723 C1' DT B 102 -22.415 -7.944 -6.043 1.00 0.00 C ATOM 724 N1 DT B 102 -21.752 -7.532 -7.310 1.00 0.00 N ATOM 725 C2 DT B 102 -21.304 -8.512 -8.199 1.00 0.00 C ATOM 726 O2 DT B 102 -21.348 -9.716 -7.958 1.00 0.00 O ATOM 727 N3 DT B 102 -20.799 -8.057 -9.411 1.00 0.00 N ATOM 728 C4 DT B 102 -20.751 -6.733 -9.831 1.00 0.00 C ATOM 729 O4 DT B 102 -20.312 -6.456 -10.945 1.00 0.00 O ATOM 730 C5 DT B 102 -21.240 -5.780 -8.849 1.00 0.00 C ATOM 731 C7 DT B 102 -21.311 -4.303 -9.184 1.00 0.00 C ATOM 732 C6 DT B 102 -21.696 -6.205 -7.646 1.00 0.00 C ATOM 0 H5' DT B 102 -25.372 -5.865 -5.488 1.00 0.00 H new ATOM 0 H5'' DT B 102 -25.925 -6.424 -3.922 1.00 0.00 H new ATOM 0 H4' DT B 102 -24.882 -8.306 -4.380 1.00 0.00 H new ATOM 0 H3' DT B 102 -22.955 -6.997 -2.879 1.00 0.00 H new ATOM 0 H2' DT B 102 -21.882 -6.113 -4.986 1.00 0.00 H new ATOM 0 H2'' DT B 102 -20.903 -7.496 -4.538 1.00 0.00 H new ATOM 0 H1' DT B 102 -22.208 -9.013 -5.994 1.00 0.00 H new ATOM 0 H3 DT B 102 -20.429 -8.760 -10.052 1.00 0.00 H new ATOM 0 H71 DT B 102 -20.527 -4.054 -9.900 1.00 0.00 H new ATOM 0 H72 DT B 102 -22.284 -4.075 -9.618 1.00 0.00 H new ATOM 0 H73 DT B 102 -21.172 -3.717 -8.276 1.00 0.00 H new ATOM 0 H6 DT B 102 -22.027 -5.471 -6.926 1.00 0.00 H new ATOM 745 P DC B 103 -21.589 -9.314 -2.290 1.00 0.00 P ATOM 746 OP1 DC B 103 -21.855 -10.678 -1.781 1.00 0.00 O ATOM 747 OP2 DC B 103 -21.410 -8.198 -1.334 1.00 0.00 O ATOM 748 O5' DC B 103 -20.285 -9.377 -3.236 1.00 0.00 O ATOM 749 C5' DC B 103 -20.074 -10.464 -4.111 1.00 0.00 C ATOM 750 C4' DC B 103 -18.917 -10.175 -5.068 1.00 0.00 C ATOM 751 O4' DC B 103 -19.190 -9.075 -5.919 1.00 0.00 O ATOM 752 C3' DC B 103 -17.572 -9.877 -4.379 1.00 0.00 C ATOM 753 O3' DC B 103 -16.713 -10.987 -4.608 1.00 0.00 O ATOM 754 C2' DC B 103 -17.134 -8.575 -5.070 1.00 0.00 C ATOM 755 C1' DC B 103 -17.929 -8.639 -6.368 1.00 0.00 C ATOM 756 N1 DC B 103 -17.982 -7.348 -7.115 1.00 0.00 N ATOM 757 C2 DC B 103 -17.477 -7.317 -8.422 1.00 0.00 C ATOM 758 O2 DC B 103 -16.972 -8.305 -8.952 1.00 0.00 O ATOM 759 N3 DC B 103 -17.542 -6.150 -9.117 1.00 0.00 N ATOM 760 C4 DC B 103 -18.031 -5.033 -8.572 1.00 0.00 C ATOM 761 N4 DC B 103 -18.067 -3.917 -9.311 1.00 0.00 N ATOM 762 C5 DC B 103 -18.495 -5.024 -7.217 1.00 0.00 C ATOM 763 C6 DC B 103 -18.474 -6.196 -6.539 1.00 0.00 C ATOM 0 H5' DC B 103 -20.983 -10.660 -4.681 1.00 0.00 H new ATOM 0 H5'' DC B 103 -19.859 -11.364 -3.535 1.00 0.00 H new ATOM 0 H4' DC B 103 -18.826 -11.104 -5.631 1.00 0.00 H new ATOM 0 H3' DC B 103 -17.588 -9.747 -3.297 1.00 0.00 H new ATOM 0 H2' DC B 103 -17.383 -7.693 -4.479 1.00 0.00 H new ATOM 0 H2'' DC B 103 -16.059 -8.546 -5.248 1.00 0.00 H new ATOM 0 H1' DC B 103 -17.477 -9.299 -7.109 1.00 0.00 H new ATOM 0 H41 DC B 103 -18.437 -3.054 -8.913 1.00 0.00 H new ATOM 0 H42 DC B 103 -17.725 -3.930 -10.272 1.00 0.00 H new ATOM 0 H5 DC B 103 -18.849 -4.115 -6.753 1.00 0.00 H new ATOM 0 H6 DC B 103 -18.850 -6.229 -5.527 1.00 0.00 H new ATOM 775 P DC B 104 -15.156 -10.995 -4.182 1.00 0.00 P ATOM 776 OP1 DC B 104 -14.724 -12.384 -3.904 1.00 0.00 O ATOM 777 OP2 DC B 104 -14.927 -9.945 -3.163 1.00 0.00 O ATOM 778 O5' DC B 104 -14.443 -10.522 -5.540 1.00 0.00 O ATOM 779 C5' DC B 104 -14.333 -11.352 -6.684 1.00 0.00 C ATOM 780 C4' DC B 104 -13.288 -10.750 -7.636 1.00 0.00 C ATOM 781 O4' DC B 104 -13.773 -9.516 -8.143 1.00 0.00 O ATOM 782 C3' DC B 104 -11.988 -10.456 -6.871 1.00 0.00 C ATOM 783 O3' DC B 104 -10.834 -10.716 -7.649 1.00 0.00 O ATOM 784 C2' DC B 104 -12.147 -8.970 -6.569 1.00 0.00 C ATOM 785 C1' DC B 104 -12.811 -8.518 -7.863 1.00 0.00 C ATOM 786 N1 DC B 104 -13.446 -7.176 -7.784 1.00 0.00 N ATOM 787 C2 DC B 104 -13.306 -6.292 -8.853 1.00 0.00 C ATOM 788 O2 DC B 104 -12.554 -6.540 -9.791 1.00 0.00 O ATOM 789 N3 DC B 104 -14.015 -5.129 -8.832 1.00 0.00 N ATOM 790 C4 DC B 104 -14.820 -4.820 -7.806 1.00 0.00 C ATOM 791 N4 DC B 104 -15.443 -3.638 -7.828 1.00 0.00 N ATOM 792 C5 DC B 104 -14.941 -5.694 -6.669 1.00 0.00 C ATOM 793 C6 DC B 104 -14.229 -6.842 -6.711 1.00 0.00 C ATOM 0 H5' DC B 104 -15.297 -11.433 -7.185 1.00 0.00 H new ATOM 0 H5'' DC B 104 -14.040 -12.360 -6.392 1.00 0.00 H new ATOM 0 H4' DC B 104 -13.101 -11.459 -8.442 1.00 0.00 H new ATOM 0 H3' DC B 104 -11.847 -11.079 -5.988 1.00 0.00 H new ATOM 0 H2' DC B 104 -12.769 -8.785 -5.693 1.00 0.00 H new ATOM 0 H2'' DC B 104 -11.192 -8.474 -6.393 1.00 0.00 H new ATOM 0 H1' DC B 104 -12.063 -8.407 -8.648 1.00 0.00 H new ATOM 0 H41 DC B 104 -16.062 -3.374 -7.062 1.00 0.00 H new ATOM 0 H42 DC B 104 -15.299 -3.000 -8.611 1.00 0.00 H new ATOM 0 H5 DC B 104 -15.568 -5.445 -5.826 1.00 0.00 H new ATOM 0 H6 DC B 104 -14.279 -7.518 -5.871 1.00 0.00 H new ATOM 805 P DC B 105 -9.357 -10.580 -7.007 1.00 0.00 P ATOM 806 OP1 DC B 105 -8.501 -11.630 -7.602 1.00 0.00 O ATOM 807 OP2 DC B 105 -9.514 -10.510 -5.534 1.00 0.00 O ATOM 808 O5' DC B 105 -8.845 -9.138 -7.539 1.00 0.00 O ATOM 809 C5' DC B 105 -8.324 -8.976 -8.849 1.00 0.00 C ATOM 810 C4' DC B 105 -7.940 -7.518 -9.138 1.00 0.00 C ATOM 811 O4' DC B 105 -9.111 -6.709 -9.115 1.00 0.00 O ATOM 812 C3' DC B 105 -6.963 -6.944 -8.093 1.00 0.00 C ATOM 813 O3' DC B 105 -5.996 -6.074 -8.652 1.00 0.00 O ATOM 814 C2' DC B 105 -7.889 -6.081 -7.257 1.00 0.00 C ATOM 815 C1' DC B 105 -8.821 -5.557 -8.352 1.00 0.00 C ATOM 816 N1 DC B 105 -10.055 -4.892 -7.844 1.00 0.00 N ATOM 817 C2 DC B 105 -10.444 -3.667 -8.395 1.00 0.00 C ATOM 818 O2 DC B 105 -9.884 -3.206 -9.387 1.00 0.00 O ATOM 819 N3 DC B 105 -11.460 -2.974 -7.803 1.00 0.00 N ATOM 820 C4 DC B 105 -12.092 -3.468 -6.724 1.00 0.00 C ATOM 821 N4 DC B 105 -13.053 -2.745 -6.146 1.00 0.00 N ATOM 822 C5 DC B 105 -11.772 -4.763 -6.201 1.00 0.00 C ATOM 823 C6 DC B 105 -10.763 -5.431 -6.800 1.00 0.00 C ATOM 0 H5' DC B 105 -9.064 -9.307 -9.577 1.00 0.00 H new ATOM 0 H5'' DC B 105 -7.448 -9.613 -8.972 1.00 0.00 H new ATOM 0 H4' DC B 105 -7.455 -7.508 -10.114 1.00 0.00 H new ATOM 0 H3' DC B 105 -6.415 -7.736 -7.583 1.00 0.00 H new ATOM 0 H2' DC B 105 -8.420 -6.654 -6.497 1.00 0.00 H new ATOM 0 H2'' DC B 105 -7.360 -5.280 -6.741 1.00 0.00 H new ATOM 0 H1' DC B 105 -8.348 -4.762 -8.928 1.00 0.00 H new ATOM 0 H41 DC B 105 -13.541 -3.107 -5.327 1.00 0.00 H new ATOM 0 H42 DC B 105 -13.300 -1.830 -6.523 1.00 0.00 H new ATOM 0 H5 DC B 105 -12.313 -5.185 -5.367 1.00 0.00 H new ATOM 0 H6 DC B 105 -10.506 -6.419 -6.447 1.00 0.00 H new ATOM 835 P DT B 106 -4.624 -6.597 -9.312 1.00 0.00 P ATOM 836 OP1 DT B 106 -4.884 -6.981 -10.718 1.00 0.00 O ATOM 837 OP2 DT B 106 -3.990 -7.556 -8.381 1.00 0.00 O ATOM 838 O5' DT B 106 -3.767 -5.234 -9.286 1.00 0.00 O ATOM 839 C5' DT B 106 -4.054 -4.150 -10.151 1.00 0.00 C ATOM 840 C4' DT B 106 -3.673 -2.830 -9.470 1.00 0.00 C ATOM 841 O4' DT B 106 -4.462 -2.661 -8.301 1.00 0.00 O ATOM 842 C3' DT B 106 -2.192 -2.746 -9.079 1.00 0.00 C ATOM 843 O3' DT B 106 -1.451 -1.984 -10.014 1.00 0.00 O ATOM 844 C2' DT B 106 -2.257 -2.113 -7.685 1.00 0.00 C ATOM 845 C1' DT B 106 -3.637 -2.525 -7.160 1.00 0.00 C ATOM 846 N1 DT B 106 -3.754 -3.749 -6.298 1.00 0.00 N ATOM 847 C2 DT B 106 -2.806 -4.786 -6.313 1.00 0.00 C ATOM 848 O2 DT B 106 -1.793 -4.801 -6.999 1.00 0.00 O ATOM 849 N3 DT B 106 -3.029 -5.845 -5.443 1.00 0.00 N ATOM 850 C4 DT B 106 -4.056 -5.945 -4.523 1.00 0.00 C ATOM 851 O4 DT B 106 -4.140 -6.934 -3.796 1.00 0.00 O ATOM 852 C5 DT B 106 -4.954 -4.808 -4.517 1.00 0.00 C ATOM 853 C7 DT B 106 -6.113 -4.778 -3.552 1.00 0.00 C ATOM 854 C6 DT B 106 -4.790 -3.785 -5.393 1.00 0.00 C ATOM 0 H5' DT B 106 -5.114 -4.146 -10.406 1.00 0.00 H new ATOM 0 H5'' DT B 106 -3.502 -4.261 -11.084 1.00 0.00 H new ATOM 0 H4' DT B 106 -3.859 -2.040 -10.198 1.00 0.00 H new ATOM 0 H3' DT B 106 -1.674 -3.705 -9.073 1.00 0.00 H new ATOM 0 H2' DT B 106 -1.458 -2.481 -7.041 1.00 0.00 H new ATOM 0 H2'' DT B 106 -2.155 -1.029 -7.733 1.00 0.00 H new ATOM 0 H1' DT B 106 -3.928 -1.742 -6.459 1.00 0.00 H new ATOM 0 H3 DT B 106 -2.372 -6.624 -5.487 1.00 0.00 H new ATOM 0 H71 DT B 106 -6.341 -3.745 -3.290 1.00 0.00 H new ATOM 0 H72 DT B 106 -6.986 -5.236 -4.017 1.00 0.00 H new ATOM 0 H73 DT B 106 -5.850 -5.332 -2.651 1.00 0.00 H new ATOM 0 H6 DT B 106 -5.498 -2.970 -5.380 1.00 0.00 H new ATOM 867 P DG B 107 0.135 -1.725 -9.837 1.00 0.00 P ATOM 868 OP1 DG B 107 0.776 -1.707 -11.171 1.00 0.00 O ATOM 869 OP2 DG B 107 0.660 -2.634 -8.794 1.00 0.00 O ATOM 870 O5' DG B 107 0.194 -0.224 -9.264 1.00 0.00 O ATOM 871 C5' DG B 107 -0.351 0.848 -10.007 1.00 0.00 C ATOM 872 C4' DG B 107 -0.268 2.156 -9.223 1.00 0.00 C ATOM 873 O4' DG B 107 -0.543 1.955 -7.848 1.00 0.00 O ATOM 874 C3' DG B 107 1.077 2.874 -9.283 1.00 0.00 C ATOM 875 O3' DG B 107 1.241 3.516 -10.539 1.00 0.00 O ATOM 876 C2' DG B 107 0.856 3.834 -8.121 1.00 0.00 C ATOM 877 C1' DG B 107 0.065 3.004 -7.117 1.00 0.00 C ATOM 878 N9 DG B 107 0.995 2.458 -6.112 1.00 0.00 N ATOM 879 C8 DG B 107 1.682 1.275 -6.133 1.00 0.00 C ATOM 880 N7 DG B 107 2.459 1.090 -5.104 1.00 0.00 N ATOM 881 C5 DG B 107 2.283 2.243 -4.346 1.00 0.00 C ATOM 882 C6 DG B 107 2.851 2.621 -3.094 1.00 0.00 C ATOM 883 O6 DG B 107 3.574 1.960 -2.358 1.00 0.00 O ATOM 884 N1 DG B 107 2.499 3.910 -2.714 1.00 0.00 N ATOM 885 C2 DG B 107 1.632 4.715 -3.425 1.00 0.00 C ATOM 886 N2 DG B 107 1.408 5.934 -2.935 1.00 0.00 N ATOM 887 N3 DG B 107 1.036 4.340 -4.565 1.00 0.00 N ATOM 888 C4 DG B 107 1.411 3.099 -4.973 1.00 0.00 C ATOM 0 H5' DG B 107 -1.391 0.633 -10.253 1.00 0.00 H new ATOM 0 H5'' DG B 107 0.185 0.951 -10.950 1.00 0.00 H new ATOM 0 H4' DG B 107 -1.015 2.779 -9.716 1.00 0.00 H new ATOM 0 H3' DG B 107 1.979 2.268 -9.201 1.00 0.00 H new ATOM 0 H2' DG B 107 1.801 4.179 -7.700 1.00 0.00 H new ATOM 0 H2'' DG B 107 0.303 4.720 -8.433 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.689 3.597 -6.600 1.00 0.00 H new ATOM 0 H8 DG B 107 1.588 0.556 -6.934 1.00 0.00 H new ATOM 0 H1 DG B 107 2.906 4.285 -1.857 1.00 0.00 H new ATOM 0 H21 DG B 107 0.776 6.571 -3.420 1.00 0.00 H new ATOM 0 H22 DG B 107 1.869 6.230 -2.075 1.00 0.00 H new ATOM 900 P DT B 108 2.259 4.753 -10.763 1.00 0.00 P ATOM 901 OP1 DT B 108 2.684 4.736 -12.180 1.00 0.00 O ATOM 902 OP2 DT B 108 3.280 4.727 -9.692 1.00 0.00 O ATOM 903 O5' DT B 108 1.282 6.025 -10.523 1.00 0.00 O ATOM 904 C5' DT B 108 0.992 6.952 -11.557 1.00 0.00 C ATOM 905 C4' DT B 108 -0.254 7.800 -11.261 1.00 0.00 C ATOM 906 O4' DT B 108 -1.415 6.988 -11.378 1.00 0.00 O ATOM 907 C3' DT B 108 -0.291 8.445 -9.864 1.00 0.00 C ATOM 908 O3' DT B 108 -0.858 9.745 -10.012 1.00 0.00 O ATOM 909 C2' DT B 108 -1.201 7.464 -9.126 1.00 0.00 C ATOM 910 C1' DT B 108 -2.210 7.165 -10.223 1.00 0.00 C ATOM 911 N1 DT B 108 -3.174 6.037 -10.069 1.00 0.00 N ATOM 912 C2 DT B 108 -4.323 6.097 -10.864 1.00 0.00 C ATOM 913 O2 DT B 108 -4.553 7.018 -11.644 1.00 0.00 O ATOM 914 N3 DT B 108 -5.217 5.043 -10.749 1.00 0.00 N ATOM 915 C4 DT B 108 -5.037 3.915 -9.968 1.00 0.00 C ATOM 916 O4 DT B 108 -5.883 3.026 -9.966 1.00 0.00 O ATOM 917 C5 DT B 108 -3.809 3.903 -9.200 1.00 0.00 C ATOM 918 C7 DT B 108 -3.536 2.711 -8.305 1.00 0.00 C ATOM 919 C6 DT B 108 -2.934 4.942 -9.271 1.00 0.00 C ATOM 0 H5' DT B 108 0.845 6.412 -12.493 1.00 0.00 H new ATOM 0 H5'' DT B 108 1.849 7.610 -11.700 1.00 0.00 H new ATOM 0 H4' DT B 108 -0.220 8.610 -11.989 1.00 0.00 H new ATOM 0 H3' DT B 108 0.657 8.591 -9.347 1.00 0.00 H new ATOM 0 H2' DT B 108 -0.670 6.572 -8.794 1.00 0.00 H new ATOM 0 H2'' DT B 108 -1.663 7.907 -8.244 1.00 0.00 H new ATOM 0 H1' DT B 108 -2.915 7.997 -10.232 1.00 0.00 H new ATOM 0 H3 DT B 108 -6.082 5.105 -11.286 1.00 0.00 H new ATOM 0 H71 DT B 108 -4.481 2.294 -7.956 1.00 0.00 H new ATOM 0 H72 DT B 108 -2.990 1.952 -8.866 1.00 0.00 H new ATOM 0 H73 DT B 108 -2.941 3.028 -7.449 1.00 0.00 H new ATOM 0 H6 DT B 108 -2.027 4.907 -8.686 1.00 0.00 H new ATOM 932 P DT B 109 -1.334 10.680 -8.773 1.00 0.00 P ATOM 933 OP1 DT B 109 -1.137 12.094 -9.162 1.00 0.00 O ATOM 934 OP2 DT B 109 -0.721 10.170 -7.526 1.00 0.00 O ATOM 935 O5' DT B 109 -2.928 10.398 -8.706 1.00 0.00 O ATOM 936 C5' DT B 109 -3.814 10.912 -9.687 1.00 0.00 C ATOM 937 C4' DT B 109 -5.232 10.327 -9.564 1.00 0.00 C ATOM 938 O4' DT B 109 -5.130 8.909 -9.452 1.00 0.00 O ATOM 939 C3' DT B 109 -6.056 10.827 -8.355 1.00 0.00 C ATOM 940 O3' DT B 109 -7.426 10.838 -8.752 1.00 0.00 O ATOM 941 C2' DT B 109 -5.689 9.725 -7.376 1.00 0.00 C ATOM 942 C1' DT B 109 -5.824 8.517 -8.288 1.00 0.00 C ATOM 943 N1 DT B 109 -5.306 7.290 -7.639 1.00 0.00 N ATOM 944 C2 DT B 109 -6.103 6.148 -7.602 1.00 0.00 C ATOM 945 O2 DT B 109 -7.183 6.060 -8.181 1.00 0.00 O ATOM 946 N3 DT B 109 -5.611 5.082 -6.857 1.00 0.00 N ATOM 947 C4 DT B 109 -4.392 5.045 -6.194 1.00 0.00 C ATOM 948 O4 DT B 109 -4.080 4.052 -5.543 1.00 0.00 O ATOM 949 C5 DT B 109 -3.599 6.250 -6.341 1.00 0.00 C ATOM 950 C7 DT B 109 -2.185 6.318 -5.811 1.00 0.00 C ATOM 951 C6 DT B 109 -4.084 7.311 -7.026 1.00 0.00 C ATOM 0 H5' DT B 109 -3.419 10.693 -10.679 1.00 0.00 H new ATOM 0 H5'' DT B 109 -3.863 11.997 -9.595 1.00 0.00 H new ATOM 0 H4' DT B 109 -5.759 10.660 -10.458 1.00 0.00 H new ATOM 0 H3' DT B 109 -5.878 11.826 -7.956 1.00 0.00 H new ATOM 0 H2' DT B 109 -4.680 9.838 -6.978 1.00 0.00 H new ATOM 0 H2'' DT B 109 -6.365 9.682 -6.522 1.00 0.00 H new ATOM 0 H1' DT B 109 -6.853 8.246 -8.524 1.00 0.00 H new ATOM 0 H3 DT B 109 -6.199 4.251 -6.792 1.00 0.00 H new ATOM 0 H71 DT B 109 -2.091 5.668 -4.941 1.00 0.00 H new ATOM 0 H72 DT B 109 -1.490 5.991 -6.585 1.00 0.00 H new ATOM 0 H73 DT B 109 -1.953 7.344 -5.524 1.00 0.00 H new ATOM 0 H6 DT B 109 -3.484 8.207 -7.091 1.00 0.00 H new ATOM 964 P DC B 110 -8.717 10.851 -7.758 1.00 0.00 P ATOM 965 OP1 DC B 110 -9.661 11.875 -8.257 1.00 0.00 O ATOM 966 OP2 DC B 110 -8.285 10.889 -6.342 1.00 0.00 O ATOM 967 O5' DC B 110 -9.363 9.393 -8.053 1.00 0.00 O ATOM 968 C5' DC B 110 -9.654 9.003 -9.386 1.00 0.00 C ATOM 969 C4' DC B 110 -10.447 7.691 -9.517 1.00 0.00 C ATOM 970 O4' DC B 110 -10.887 7.109 -8.302 1.00 0.00 O ATOM 971 C3' DC B 110 -11.753 7.909 -10.278 1.00 0.00 C ATOM 972 O3' DC B 110 -11.523 8.066 -11.665 1.00 0.00 O ATOM 973 C2' DC B 110 -12.561 6.666 -9.918 1.00 0.00 C ATOM 974 C1' DC B 110 -11.845 6.128 -8.680 1.00 0.00 C ATOM 975 N1 DC B 110 -12.865 5.689 -7.693 1.00 0.00 N ATOM 976 C2 DC B 110 -13.110 6.399 -6.513 1.00 0.00 C ATOM 977 O2 DC B 110 -12.445 7.377 -6.180 1.00 0.00 O ATOM 978 N3 DC B 110 -14.139 5.982 -5.719 1.00 0.00 N ATOM 979 C4 DC B 110 -14.923 4.950 -6.061 1.00 0.00 C ATOM 980 N4 DC B 110 -15.894 4.579 -5.220 1.00 0.00 N ATOM 981 C5 DC B 110 -14.733 4.259 -7.302 1.00 0.00 C ATOM 982 C6 DC B 110 -13.692 4.657 -8.067 1.00 0.00 C ATOM 0 H5' DC B 110 -8.716 8.900 -9.932 1.00 0.00 H new ATOM 0 H5'' DC B 110 -10.218 9.801 -9.868 1.00 0.00 H new ATOM 0 H4' DC B 110 -9.724 7.041 -10.011 1.00 0.00 H new ATOM 0 H3' DC B 110 -12.281 8.825 -10.012 1.00 0.00 H new ATOM 0 H2' DC B 110 -13.602 6.910 -9.706 1.00 0.00 H new ATOM 0 H2'' DC B 110 -12.563 5.938 -10.730 1.00 0.00 H new ATOM 0 H1' DC B 110 -11.259 5.220 -8.826 1.00 0.00 H new ATOM 0 H41 DC B 110 -16.504 3.797 -5.458 1.00 0.00 H new ATOM 0 H42 DC B 110 -16.025 5.078 -4.340 1.00 0.00 H new ATOM 0 H5 DC B 110 -15.390 3.459 -7.611 1.00 0.00 H new ATOM 0 H6 DC B 110 -13.504 4.148 -9.001 1.00 0.00 H new ATOM 994 P DG B 111 -12.738 8.216 -12.715 1.00 0.00 P ATOM 995 OP1 DG B 111 -12.226 8.898 -13.925 1.00 0.00 O ATOM 996 OP2 DG B 111 -13.916 8.760 -12.004 1.00 0.00 O ATOM 997 O5' DG B 111 -13.041 6.677 -13.089 1.00 0.00 O ATOM 998 C5' DG B 111 -12.147 5.933 -13.893 1.00 0.00 C ATOM 999 C4' DG B 111 -12.626 4.487 -14.040 1.00 0.00 C ATOM 1000 O4' DG B 111 -12.494 3.776 -12.816 1.00 0.00 O ATOM 1001 C3' DG B 111 -14.108 4.391 -14.468 1.00 0.00 C ATOM 1002 O3' DG B 111 -14.345 3.420 -15.474 1.00 0.00 O ATOM 1003 C2' DG B 111 -14.736 3.854 -13.187 1.00 0.00 C ATOM 1004 C1' DG B 111 -13.611 2.920 -12.771 1.00 0.00 C ATOM 1005 N9 DG B 111 -13.853 2.263 -11.473 1.00 0.00 N ATOM 1006 C8 DG B 111 -14.901 2.446 -10.611 1.00 0.00 C ATOM 1007 N7 DG B 111 -14.965 1.569 -9.647 1.00 0.00 N ATOM 1008 C5 DG B 111 -13.871 0.744 -9.885 1.00 0.00 C ATOM 1009 C6 DG B 111 -13.422 -0.410 -9.181 1.00 0.00 C ATOM 1010 O6 DG B 111 -13.933 -0.939 -8.202 1.00 0.00 O ATOM 1011 N1 DG B 111 -12.261 -0.956 -9.717 1.00 0.00 N ATOM 1012 C2 DG B 111 -11.651 -0.491 -10.867 1.00 0.00 C ATOM 1013 N2 DG B 111 -10.559 -1.136 -11.287 1.00 0.00 N ATOM 1014 N3 DG B 111 -12.082 0.584 -11.547 1.00 0.00 N ATOM 1015 C4 DG B 111 -13.187 1.160 -11.000 1.00 0.00 C ATOM 0 H5' DG B 111 -11.152 5.948 -13.448 1.00 0.00 H new ATOM 0 H5'' DG B 111 -12.064 6.395 -14.877 1.00 0.00 H new ATOM 0 H4' DG B 111 -11.996 4.051 -14.815 1.00 0.00 H new ATOM 0 H3' DG B 111 -14.477 5.337 -14.864 1.00 0.00 H new ATOM 0 H2' DG B 111 -14.934 4.634 -12.452 1.00 0.00 H new ATOM 0 H2'' DG B 111 -15.678 3.333 -13.361 1.00 0.00 H new ATOM 0 H1' DG B 111 -13.487 2.049 -13.415 1.00 0.00 H new ATOM 0 H8 DG B 111 -15.615 3.249 -10.720 1.00 0.00 H new ATOM 0 H1 DG B 111 -11.834 -1.746 -9.233 1.00 0.00 H new ATOM 0 H21 DG B 111 -10.077 -0.827 -12.131 1.00 0.00 H new ATOM 0 H22 DG B 111 -10.207 -1.938 -10.764 1.00 0.00 H new ATOM 1027 P DG B 112 -13.844 3.568 -17.000 1.00 0.00 P ATOM 1028 OP1 DG B 112 -12.840 4.651 -17.090 1.00 0.00 O ATOM 1029 OP2 DG B 112 -15.036 3.585 -17.875 1.00 0.00 O ATOM 1030 O5' DG B 112 -13.103 2.146 -17.178 1.00 0.00 O ATOM 1031 C5' DG B 112 -11.699 2.007 -17.079 1.00 0.00 C ATOM 1032 C4' DG B 112 -11.328 0.550 -16.788 1.00 0.00 C ATOM 1033 O4' DG B 112 -11.750 0.213 -15.475 1.00 0.00 O ATOM 1034 C3' DG B 112 -11.989 -0.441 -17.759 1.00 0.00 C ATOM 1035 O3' DG B 112 -11.002 -1.377 -18.165 1.00 0.00 O ATOM 1036 C2' DG B 112 -13.078 -1.061 -16.890 1.00 0.00 C ATOM 1037 C1' DG B 112 -12.405 -1.037 -15.527 1.00 0.00 C ATOM 1038 N9 DG B 112 -13.362 -1.164 -14.406 1.00 0.00 N ATOM 1039 C8 DG B 112 -14.473 -0.408 -14.133 1.00 0.00 C ATOM 1040 N7 DG B 112 -15.083 -0.733 -13.025 1.00 0.00 N ATOM 1041 C5 DG B 112 -14.330 -1.792 -12.527 1.00 0.00 C ATOM 1042 C6 DG B 112 -14.498 -2.575 -11.343 1.00 0.00 C ATOM 1043 O6 DG B 112 -15.363 -2.469 -10.474 1.00 0.00 O ATOM 1044 N1 DG B 112 -13.518 -3.556 -11.214 1.00 0.00 N ATOM 1045 C2 DG B 112 -12.482 -3.752 -12.108 1.00 0.00 C ATOM 1046 N2 DG B 112 -11.621 -4.741 -11.853 1.00 0.00 N ATOM 1047 N3 DG B 112 -12.317 -3.011 -13.213 1.00 0.00 N ATOM 1048 C4 DG B 112 -13.272 -2.057 -13.368 1.00 0.00 C ATOM 0 H5' DG B 112 -11.318 2.652 -16.287 1.00 0.00 H new ATOM 0 H5'' DG B 112 -11.228 2.331 -18.007 1.00 0.00 H new ATOM 0 H4' DG B 112 -10.247 0.473 -16.903 1.00 0.00 H new ATOM 0 H3' DG B 112 -12.401 -0.019 -18.676 1.00 0.00 H new ATOM 0 H2' DG B 112 -14.000 -0.480 -16.906 1.00 0.00 H new ATOM 0 H2'' DG B 112 -13.333 -2.072 -17.207 1.00 0.00 H new ATOM 0 H1' DG B 112 -11.728 -1.884 -15.417 1.00 0.00 H new ATOM 0 H8 DG B 112 -14.814 0.388 -14.779 1.00 0.00 H new ATOM 0 H1 DG B 112 -13.568 -4.173 -10.403 1.00 0.00 H new ATOM 0 H21 DG B 112 -10.843 -4.917 -12.489 1.00 0.00 H new ATOM 0 H22 DG B 112 -11.741 -5.320 -11.022 1.00 0.00 H new ATOM 1060 P DG B 113 -11.318 -2.608 -19.163 1.00 0.00 P ATOM 1061 OP1 DG B 113 -10.111 -2.859 -19.981 1.00 0.00 O ATOM 1062 OP2 DG B 113 -12.618 -2.360 -19.828 1.00 0.00 O ATOM 1063 O5' DG B 113 -11.502 -3.843 -18.140 1.00 0.00 O ATOM 1064 C5' DG B 113 -10.395 -4.401 -17.457 1.00 0.00 C ATOM 1065 C4' DG B 113 -10.827 -5.599 -16.604 1.00 0.00 C ATOM 1066 O4' DG B 113 -11.685 -5.163 -15.560 1.00 0.00 O ATOM 1067 C3' DG B 113 -11.590 -6.652 -17.427 1.00 0.00 C ATOM 1068 O3' DG B 113 -11.132 -7.946 -17.059 1.00 0.00 O ATOM 1069 C2' DG B 113 -13.026 -6.396 -16.981 1.00 0.00 C ATOM 1070 C1' DG B 113 -12.799 -6.031 -15.524 1.00 0.00 C ATOM 1071 N9 DG B 113 -13.976 -5.363 -14.933 1.00 0.00 N ATOM 1072 C8 DG B 113 -14.680 -4.300 -15.430 1.00 0.00 C ATOM 1073 N7 DG B 113 -15.670 -3.911 -14.677 1.00 0.00 N ATOM 1074 C5 DG B 113 -15.633 -4.792 -13.603 1.00 0.00 C ATOM 1075 C6 DG B 113 -16.481 -4.882 -12.458 1.00 0.00 C ATOM 1076 O6 DG B 113 -17.411 -4.147 -12.133 1.00 0.00 O ATOM 1077 N1 DG B 113 -16.149 -5.960 -11.645 1.00 0.00 N ATOM 1078 C2 DG B 113 -15.108 -6.835 -11.876 1.00 0.00 C ATOM 1079 N2 DG B 113 -14.976 -7.856 -11.022 1.00 0.00 N ATOM 1080 N3 DG B 113 -14.288 -6.730 -12.932 1.00 0.00 N ATOM 1081 C4 DG B 113 -14.607 -5.698 -13.759 1.00 0.00 C ATOM 0 H5' DG B 113 -9.935 -3.644 -16.822 1.00 0.00 H new ATOM 0 H5'' DG B 113 -9.639 -4.715 -18.177 1.00 0.00 H new ATOM 0 H4' DG B 113 -9.917 -6.049 -16.208 1.00 0.00 H new ATOM 0 H3' DG B 113 -11.467 -6.594 -18.508 1.00 0.00 H new ATOM 0 H2' DG B 113 -13.497 -5.589 -17.542 1.00 0.00 H new ATOM 0 H2'' DG B 113 -13.659 -7.276 -17.095 1.00 0.00 H new ATOM 0 H1' DG B 113 -12.631 -6.910 -14.902 1.00 0.00 H new ATOM 0 H8 DG B 113 -14.436 -3.823 -16.368 1.00 0.00 H new ATOM 0 H1 DG B 113 -16.719 -6.116 -10.814 1.00 0.00 H new ATOM 0 H21 DG B 113 -14.223 -8.532 -11.148 1.00 0.00 H new ATOM 0 H22 DG B 113 -15.629 -7.959 -10.245 1.00 0.00 H new ATOM 1093 P DC B 114 -11.715 -9.298 -17.730 1.00 0.00 P ATOM 1094 OP1 DC B 114 -10.642 -10.318 -17.713 1.00 0.00 O ATOM 1095 OP2 DC B 114 -12.367 -8.944 -19.011 1.00 0.00 O ATOM 1096 O5' DC B 114 -12.867 -9.756 -16.697 1.00 0.00 O ATOM 1097 C5' DC B 114 -12.564 -10.498 -15.529 1.00 0.00 C ATOM 1098 C4' DC B 114 -13.832 -10.751 -14.706 1.00 0.00 C ATOM 1099 O4' DC B 114 -14.368 -9.537 -14.221 1.00 0.00 O ATOM 1100 C3' DC B 114 -14.963 -11.408 -15.496 1.00 0.00 C ATOM 1101 O3' DC B 114 -14.802 -12.807 -15.592 1.00 0.00 O ATOM 1102 C2' DC B 114 -16.166 -11.043 -14.635 1.00 0.00 C ATOM 1103 C1' DC B 114 -15.763 -9.700 -14.012 1.00 0.00 C ATOM 1104 N1 DC B 114 -16.491 -8.561 -14.641 1.00 0.00 N ATOM 1105 C2 DC B 114 -17.546 -7.962 -13.950 1.00 0.00 C ATOM 1106 O2 DC B 114 -17.933 -8.403 -12.869 1.00 0.00 O ATOM 1107 N3 DC B 114 -18.130 -6.853 -14.490 1.00 0.00 N ATOM 1108 C4 DC B 114 -17.717 -6.348 -15.663 1.00 0.00 C ATOM 1109 N4 DC B 114 -18.311 -5.246 -16.131 1.00 0.00 N ATOM 1110 C5 DC B 114 -16.658 -6.970 -16.408 1.00 0.00 C ATOM 1111 C6 DC B 114 -16.091 -8.070 -15.860 1.00 0.00 C ATOM 0 H5' DC B 114 -11.835 -9.956 -14.926 1.00 0.00 H new ATOM 0 H5'' DC B 114 -12.107 -11.449 -15.804 1.00 0.00 H new ATOM 0 H4' DC B 114 -13.504 -11.418 -13.909 1.00 0.00 H new ATOM 0 H3' DC B 114 -15.029 -11.079 -16.533 1.00 0.00 H new ATOM 0 H2' DC B 114 -17.074 -10.953 -15.231 1.00 0.00 H new ATOM 0 H2'' DC B 114 -16.358 -11.798 -13.873 1.00 0.00 H new ATOM 0 HO3' DC B 114 -15.547 -13.188 -16.103 1.00 0.00 H new ATOM 0 H1' DC B 114 -16.015 -9.704 -12.951 1.00 0.00 H new ATOM 0 H41 DC B 114 -18.013 -4.845 -17.020 1.00 0.00 H new ATOM 0 H42 DC B 114 -19.062 -4.806 -15.599 1.00 0.00 H new ATOM 0 H5 DC B 114 -16.330 -6.579 -17.360 1.00 0.00 H new ATOM 0 H6 DC B 114 -15.302 -8.576 -16.396 1.00 0.00 H new TER 1124 DC B 114