USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=14 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 NoAdj-H: A 23 HIS HE2 : A 23 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= 1.14 (180deg=0.664) USER MOD Single : A 17 ASN : amide:sc= -0.66 K(o=-0.66,f=-2.5!) USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0233) USER MOD Single : A 24 THR OG1 : rot -127:sc= 0.263 USER MOD Single : A 27 ASN : amide:sc= 1.88 K(o=1.9,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 0.88 (180deg=0.867) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= 1.21 (180deg=1.02) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= 0.936 (180deg=0.383) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 1.02 K(o=1,f=-0.2) USER MOD Single : A 46 MET CE :methyl -171:sc= 0 (180deg=-0.0992) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= 1.2 (180deg=0.889) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 1.1 K(o=1.1,f=-0.35) USER MOD Single : A 55 ASN : amide:sc= 0.114 X(o=0.11,f=-0.0035) USER MOD Single : B 101 DG O5' : rot -27:sc= 1.63 USER MOD Single : B 102 DT C7 :methyl 150:sc= -0.823 (180deg=-0.823) USER MOD Single : B 106 DT C7 :methyl -30:sc= -4.43! (180deg=-6.17!) USER MOD Single : B 108 DT C7 :methyl -30:sc= -0.381 (180deg=-6.06!) USER MOD Single : B 109 DT C7 :methyl -30:sc= -0.12 (180deg=-0.39) USER MOD Single : B 114 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 12 -13.862 -10.188 -2.558 1.00 0.00 N ATOM 2 CA ASN A 12 -13.138 -9.301 -1.628 1.00 0.00 C ATOM 3 C ASN A 12 -11.770 -8.908 -2.186 1.00 0.00 C ATOM 4 O ASN A 12 -11.214 -9.638 -3.007 1.00 0.00 O ATOM 5 CB ASN A 12 -12.995 -9.943 -0.240 1.00 0.00 C ATOM 6 CG ASN A 12 -11.991 -11.095 -0.222 1.00 0.00 C ATOM 7 OD1 ASN A 12 -10.821 -10.893 0.093 1.00 0.00 O ATOM 8 ND2 ASN A 12 -12.443 -12.306 -0.556 1.00 0.00 N ATOM 0 HA ASN A 12 -13.730 -8.393 -1.519 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.682 -9.183 0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.968 -10.309 0.088 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -11.809 -13.105 -0.556 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.422 -12.432 -0.812 1.00 0.00 H new ATOM 17 N VAL A 13 -11.222 -7.777 -1.723 1.00 0.00 N ATOM 18 CA VAL A 13 -9.908 -7.287 -2.118 1.00 0.00 C ATOM 19 C VAL A 13 -9.431 -6.279 -1.065 1.00 0.00 C ATOM 20 O VAL A 13 -10.014 -5.207 -0.929 1.00 0.00 O ATOM 21 CB VAL A 13 -9.960 -6.720 -3.558 1.00 0.00 C ATOM 22 CG1 VAL A 13 -10.868 -5.493 -3.724 1.00 0.00 C ATOM 23 CG2 VAL A 13 -8.559 -6.372 -4.069 1.00 0.00 C ATOM 0 H VAL A 13 -11.693 -7.171 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.175 -8.093 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.395 -7.524 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.845 -5.161 -4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.889 -5.756 -3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.515 -4.689 -3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.629 -5.977 -5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.110 -5.623 -3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.940 -7.269 -4.072 1.00 0.00 H new ATOM 33 N LYS A 14 -8.395 -6.644 -0.295 1.00 0.00 N ATOM 34 CA LYS A 14 -7.825 -5.795 0.751 1.00 0.00 C ATOM 35 C LYS A 14 -7.272 -4.499 0.158 1.00 0.00 C ATOM 36 O LYS A 14 -6.267 -4.518 -0.550 1.00 0.00 O ATOM 37 CB LYS A 14 -6.752 -6.494 1.619 1.00 0.00 C ATOM 38 CG LYS A 14 -6.426 -7.965 1.307 1.00 0.00 C ATOM 39 CD LYS A 14 -7.476 -8.909 1.904 1.00 0.00 C ATOM 40 CE LYS A 14 -7.208 -9.152 3.397 1.00 0.00 C ATOM 41 NZ LYS A 14 -8.408 -9.652 4.089 1.00 0.00 N ATOM 0 H LYS A 14 -7.928 -7.546 -0.385 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.651 -5.566 1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.828 -5.921 1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.072 -6.435 2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.378 -8.108 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.442 -8.214 1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.471 -8.482 1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.464 -9.858 1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.397 -9.871 3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.878 -8.224 3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.125 -10.162 4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.019 -8.851 4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.928 -10.297 3.460 1.00 0.00 H new ATOM 55 N CYS A 15 -7.923 -3.378 0.474 1.00 0.00 N ATOM 56 CA CYS A 15 -7.496 -2.049 0.075 1.00 0.00 C ATOM 57 C CYS A 15 -6.127 -1.730 0.681 1.00 0.00 C ATOM 58 O CYS A 15 -5.971 -1.837 1.891 1.00 0.00 O ATOM 59 CB CYS A 15 -8.538 -1.058 0.584 1.00 0.00 C ATOM 60 SG CYS A 15 -8.208 0.658 0.167 1.00 0.00 S ATOM 0 H CYS A 15 -8.780 -3.376 1.027 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.407 -1.987 -1.010 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.511 -1.335 0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.606 -1.148 1.668 1.00 0.00 H new ATOM 65 N PHE A 16 -5.142 -1.316 -0.126 1.00 0.00 N ATOM 66 CA PHE A 16 -3.831 -0.937 0.389 1.00 0.00 C ATOM 67 C PHE A 16 -3.937 0.283 1.309 1.00 0.00 C ATOM 68 O PHE A 16 -3.332 0.307 2.378 1.00 0.00 O ATOM 69 CB PHE A 16 -2.876 -0.621 -0.763 1.00 0.00 C ATOM 70 CG PHE A 16 -2.574 -1.755 -1.722 1.00 0.00 C ATOM 71 CD1 PHE A 16 -1.871 -2.894 -1.287 1.00 0.00 C ATOM 72 CD2 PHE A 16 -2.924 -1.634 -3.078 1.00 0.00 C ATOM 73 CE1 PHE A 16 -1.424 -3.846 -2.223 1.00 0.00 C ATOM 74 CE2 PHE A 16 -2.394 -2.531 -4.017 1.00 0.00 C ATOM 75 CZ PHE A 16 -1.654 -3.643 -3.595 1.00 0.00 C ATOM 0 H PHE A 16 -5.234 -1.237 -1.139 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.442 -1.779 0.962 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.294 0.207 -1.335 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.934 -0.273 -0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.674 -3.038 -0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.599 -0.853 -3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.905 -4.732 -1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.557 -2.363 -5.071 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.262 -4.341 -4.320 1.00 0.00 H new ATOM 85 N ASN A 17 -4.693 1.297 0.869 1.00 0.00 N ATOM 86 CA ASN A 17 -4.837 2.580 1.542 1.00 0.00 C ATOM 87 C ASN A 17 -5.342 2.416 2.983 1.00 0.00 C ATOM 88 O ASN A 17 -4.678 2.879 3.909 1.00 0.00 O ATOM 89 CB ASN A 17 -5.740 3.481 0.677 1.00 0.00 C ATOM 90 CG ASN A 17 -6.049 4.858 1.271 1.00 0.00 C ATOM 91 OD1 ASN A 17 -5.652 5.185 2.384 1.00 0.00 O ATOM 92 ND2 ASN A 17 -6.774 5.684 0.513 1.00 0.00 N ATOM 0 H ASN A 17 -5.235 1.238 0.007 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.864 3.061 1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.264 3.620 -0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.681 2.961 0.499 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.011 6.615 0.856 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.090 5.384 -0.409 1.00 0.00 H new ATOM 99 N CYS A 18 -6.501 1.771 3.174 1.00 0.00 N ATOM 100 CA CYS A 18 -7.150 1.646 4.479 1.00 0.00 C ATOM 101 C CYS A 18 -7.039 0.247 5.101 1.00 0.00 C ATOM 102 O CYS A 18 -7.058 0.138 6.325 1.00 0.00 O ATOM 103 CB CYS A 18 -8.617 2.080 4.386 1.00 0.00 C ATOM 104 SG CYS A 18 -9.732 0.943 3.525 1.00 0.00 S ATOM 0 H CYS A 18 -7.016 1.319 2.418 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.609 2.312 5.151 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.995 2.231 5.397 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.658 3.046 3.883 1.00 0.00 H new ATOM 109 N GLY A 19 -6.965 -0.814 4.285 1.00 0.00 N ATOM 110 CA GLY A 19 -6.945 -2.202 4.737 1.00 0.00 C ATOM 111 C GLY A 19 -8.257 -2.907 4.400 1.00 0.00 C ATOM 112 O GLY A 19 -8.242 -4.021 3.878 1.00 0.00 O ATOM 0 H GLY A 19 -6.917 -0.723 3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.114 -2.729 4.268 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.776 -2.235 5.813 1.00 0.00 H new ATOM 116 N LYS A 20 -9.386 -2.252 4.700 1.00 0.00 N ATOM 117 CA LYS A 20 -10.721 -2.819 4.551 1.00 0.00 C ATOM 118 C LYS A 20 -11.003 -3.319 3.134 1.00 0.00 C ATOM 119 O LYS A 20 -10.605 -2.703 2.147 1.00 0.00 O ATOM 120 CB LYS A 20 -11.800 -1.817 4.974 1.00 0.00 C ATOM 121 CG LYS A 20 -11.761 -1.529 6.478 1.00 0.00 C ATOM 122 CD LYS A 20 -12.830 -0.513 6.906 1.00 0.00 C ATOM 123 CE LYS A 20 -14.270 -0.922 6.562 1.00 0.00 C ATOM 124 NZ LYS A 20 -14.616 -2.254 7.089 1.00 0.00 N ATOM 0 H LYS A 20 -9.391 -1.297 5.059 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.753 -3.684 5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.665 -0.886 4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.782 -2.207 4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.907 -2.459 7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.775 -1.151 6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.757 -0.359 7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.614 0.444 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.961 -0.183 6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.397 -0.918 5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.617 -2.457 6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.020 -2.974 6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.456 -2.273 8.116 1.00 0.00 H new ATOM 138 N GLU A 21 -11.708 -4.450 3.069 1.00 0.00 N ATOM 139 CA GLU A 21 -12.025 -5.190 1.871 1.00 0.00 C ATOM 140 C GLU A 21 -13.184 -4.556 1.100 1.00 0.00 C ATOM 141 O GLU A 21 -13.783 -3.573 1.534 1.00 0.00 O ATOM 142 CB GLU A 21 -12.397 -6.617 2.295 1.00 0.00 C ATOM 143 CG GLU A 21 -11.214 -7.402 2.874 1.00 0.00 C ATOM 144 CD GLU A 21 -10.701 -6.922 4.230 1.00 0.00 C ATOM 145 OE1 GLU A 21 -11.525 -6.415 5.021 1.00 0.00 O ATOM 146 OE2 GLU A 21 -9.486 -7.104 4.460 1.00 0.00 O ATOM 0 H GLU A 21 -12.090 -4.890 3.906 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.162 -5.187 1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.194 -6.573 3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.794 -7.154 1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.506 -8.448 2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.391 -7.363 2.160 1.00 0.00 H new ATOM 153 N GLY A 22 -13.502 -5.159 -0.051 1.00 0.00 N ATOM 154 CA GLY A 22 -14.634 -4.800 -0.888 1.00 0.00 C ATOM 155 C GLY A 22 -14.343 -3.665 -1.870 1.00 0.00 C ATOM 156 O GLY A 22 -15.235 -3.266 -2.615 1.00 0.00 O ATOM 0 H GLY A 22 -12.957 -5.933 -0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.952 -5.679 -1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.468 -4.510 -0.249 1.00 0.00 H new ATOM 160 N HIS A 23 -13.117 -3.125 -1.868 1.00 0.00 N ATOM 161 CA HIS A 23 -12.744 -1.974 -2.676 1.00 0.00 C ATOM 162 C HIS A 23 -11.225 -1.813 -2.662 1.00 0.00 C ATOM 163 O HIS A 23 -10.550 -2.440 -1.847 1.00 0.00 O ATOM 164 CB HIS A 23 -13.436 -0.721 -2.131 1.00 0.00 C ATOM 165 CG HIS A 23 -12.973 -0.341 -0.751 1.00 0.00 C ATOM 166 ND1 HIS A 23 -13.523 -0.879 0.402 1.00 0.00 N ATOM 167 CD2 HIS A 23 -11.967 0.489 -0.322 1.00 0.00 C ATOM 168 CE1 HIS A 23 -12.843 -0.370 1.443 1.00 0.00 C ATOM 169 NE2 HIS A 23 -11.885 0.483 1.067 1.00 0.00 N ATOM 0 H HIS A 23 -12.353 -3.485 -1.296 1.00 0.00 H new ATOM 0 HA HIS A 23 -13.065 -2.122 -3.707 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -13.254 0.112 -2.810 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -14.513 -0.887 -2.113 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -14.299 -1.539 0.451 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -11.328 1.067 -0.973 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -13.048 -0.623 2.473 1.00 0.00 H new ATOM 177 N THR A 24 -10.694 -0.966 -3.554 1.00 0.00 N ATOM 178 CA THR A 24 -9.258 -0.786 -3.736 1.00 0.00 C ATOM 179 C THR A 24 -8.772 0.616 -3.371 1.00 0.00 C ATOM 180 O THR A 24 -9.566 1.490 -3.029 1.00 0.00 O ATOM 181 CB THR A 24 -8.871 -1.172 -5.173 1.00 0.00 C ATOM 182 OG1 THR A 24 -9.649 -0.464 -6.118 1.00 0.00 O ATOM 183 CG2 THR A 24 -9.029 -2.680 -5.385 1.00 0.00 C ATOM 0 H THR A 24 -11.259 -0.384 -4.172 1.00 0.00 H new ATOM 0 HA THR A 24 -8.750 -1.451 -3.037 1.00 0.00 H new ATOM 0 HB THR A 24 -7.825 -0.903 -5.321 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.065 -1.097 -6.739 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.751 -2.935 -6.408 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.383 -3.215 -4.689 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.066 -2.965 -5.209 1.00 0.00 H new ATOM 191 N ALA A 25 -7.443 0.800 -3.424 1.00 0.00 N ATOM 192 CA ALA A 25 -6.728 2.025 -3.091 1.00 0.00 C ATOM 193 C ALA A 25 -7.324 3.249 -3.789 1.00 0.00 C ATOM 194 O ALA A 25 -7.597 4.251 -3.133 1.00 0.00 O ATOM 195 CB ALA A 25 -5.245 1.849 -3.444 1.00 0.00 C ATOM 0 H ALA A 25 -6.812 0.054 -3.717 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.829 2.207 -2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.702 2.761 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.832 1.016 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.147 1.644 -4.510 1.00 0.00 H new ATOM 201 N ARG A 26 -7.541 3.154 -5.107 1.00 0.00 N ATOM 202 CA ARG A 26 -8.154 4.212 -5.900 1.00 0.00 C ATOM 203 C ARG A 26 -9.578 4.522 -5.436 1.00 0.00 C ATOM 204 O ARG A 26 -9.932 5.689 -5.289 1.00 0.00 O ATOM 205 CB ARG A 26 -8.088 3.874 -7.397 1.00 0.00 C ATOM 206 CG ARG A 26 -8.741 2.547 -7.798 1.00 0.00 C ATOM 207 CD ARG A 26 -8.671 2.376 -9.318 1.00 0.00 C ATOM 208 NE ARG A 26 -8.732 0.958 -9.689 1.00 0.00 N ATOM 209 CZ ARG A 26 -7.702 0.097 -9.651 1.00 0.00 C ATOM 210 NH1 ARG A 26 -6.465 0.507 -9.337 1.00 0.00 N ATOM 211 NH2 ARG A 26 -7.918 -1.194 -9.925 1.00 0.00 N ATOM 0 H ARG A 26 -7.291 2.329 -5.653 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.580 5.125 -5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.566 4.679 -7.956 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.042 3.852 -7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.234 1.717 -7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.780 2.527 -7.468 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.495 2.914 -9.787 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.747 2.815 -9.695 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.632 0.595 -10.002 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.293 1.489 -9.121 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.696 -0.163 -9.314 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.857 -1.515 -10.160 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.144 -1.857 -9.899 1.00 0.00 H new ATOM 225 N ASN A 27 -10.389 3.484 -5.189 1.00 0.00 N ATOM 226 CA ASN A 27 -11.784 3.644 -4.802 1.00 0.00 C ATOM 227 C ASN A 27 -11.927 4.305 -3.433 1.00 0.00 C ATOM 228 O ASN A 27 -12.831 5.113 -3.230 1.00 0.00 O ATOM 229 CB ASN A 27 -12.496 2.292 -4.789 1.00 0.00 C ATOM 230 CG ASN A 27 -13.981 2.483 -4.476 1.00 0.00 C ATOM 231 OD1 ASN A 27 -14.447 2.129 -3.397 1.00 0.00 O ATOM 232 ND2 ASN A 27 -14.723 3.081 -5.405 1.00 0.00 N ATOM 0 H ASN A 27 -10.089 2.511 -5.254 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.246 4.296 -5.544 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.380 1.802 -5.756 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -12.040 1.639 -4.044 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.712 3.258 -5.231 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -14.302 3.362 -6.291 1.00 0.00 H new ATOM 239 N CYS A 28 -11.047 3.910 -2.507 1.00 0.00 N ATOM 240 CA CYS A 28 -11.028 4.294 -1.106 1.00 0.00 C ATOM 241 C CYS A 28 -11.345 5.773 -0.886 1.00 0.00 C ATOM 242 O CYS A 28 -10.607 6.641 -1.350 1.00 0.00 O ATOM 243 CB CYS A 28 -9.655 3.959 -0.527 1.00 0.00 C ATOM 244 SG CYS A 28 -9.612 3.848 1.274 1.00 0.00 S ATOM 0 H CYS A 28 -10.284 3.274 -2.738 1.00 0.00 H new ATOM 0 HA CYS A 28 -11.812 3.735 -0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.319 3.010 -0.945 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.943 4.719 -0.849 1.00 0.00 H new ATOM 249 N ARG A 29 -12.428 6.050 -0.151 1.00 0.00 N ATOM 250 CA ARG A 29 -12.824 7.397 0.232 1.00 0.00 C ATOM 251 C ARG A 29 -11.983 7.829 1.439 1.00 0.00 C ATOM 252 O ARG A 29 -12.492 7.985 2.547 1.00 0.00 O ATOM 253 CB ARG A 29 -14.339 7.411 0.489 1.00 0.00 C ATOM 254 CG ARG A 29 -14.894 8.831 0.676 1.00 0.00 C ATOM 255 CD ARG A 29 -16.427 8.833 0.643 1.00 0.00 C ATOM 256 NE ARG A 29 -16.996 8.010 1.720 1.00 0.00 N ATOM 257 CZ ARG A 29 -18.287 7.656 1.821 1.00 0.00 C ATOM 258 NH1 ARG A 29 -19.187 8.073 0.918 1.00 0.00 N ATOM 259 NH2 ARG A 29 -18.683 6.875 2.837 1.00 0.00 N ATOM 0 H ARG A 29 -13.060 5.328 0.197 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.635 8.123 -0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -14.850 6.933 -0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -14.558 6.819 1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -14.547 9.238 1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.509 9.482 -0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -16.791 9.856 0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.771 8.458 -0.321 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.360 7.682 2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -18.894 8.667 0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -20.165 7.796 1.007 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -18.005 6.553 3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -19.663 6.603 2.919 1.00 0.00 H new ATOM 273 N ALA A 30 -10.676 7.994 1.205 1.00 0.00 N ATOM 274 CA ALA A 30 -9.674 8.362 2.193 1.00 0.00 C ATOM 275 C ALA A 30 -8.415 8.804 1.442 1.00 0.00 C ATOM 276 O ALA A 30 -8.156 8.284 0.357 1.00 0.00 O ATOM 277 CB ALA A 30 -9.347 7.151 3.077 1.00 0.00 C ATOM 0 H ALA A 30 -10.277 7.867 0.275 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.044 9.167 2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.596 7.432 3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.251 6.818 3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.961 6.342 2.457 1.00 0.00 H new ATOM 283 N PRO A 31 -7.612 9.729 1.994 1.00 0.00 N ATOM 284 CA PRO A 31 -6.351 10.128 1.391 1.00 0.00 C ATOM 285 C PRO A 31 -5.399 8.930 1.375 1.00 0.00 C ATOM 286 O PRO A 31 -5.266 8.233 2.380 1.00 0.00 O ATOM 287 CB PRO A 31 -5.825 11.275 2.258 1.00 0.00 C ATOM 288 CG PRO A 31 -6.447 11.001 3.626 1.00 0.00 C ATOM 289 CD PRO A 31 -7.807 10.398 3.271 1.00 0.00 C ATOM 0 HA PRO A 31 -6.456 10.456 0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.736 11.276 2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.128 12.246 1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.841 10.312 4.214 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.551 11.914 4.212 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.137 9.695 4.036 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.572 11.171 3.197 1.00 0.00 H new ATOM 297 N ARG A 32 -4.759 8.683 0.226 1.00 0.00 N ATOM 298 CA ARG A 32 -3.905 7.522 0.019 1.00 0.00 C ATOM 299 C ARG A 32 -2.461 7.819 0.412 1.00 0.00 C ATOM 300 O ARG A 32 -2.097 8.963 0.683 1.00 0.00 O ATOM 301 CB ARG A 32 -4.076 6.976 -1.411 1.00 0.00 C ATOM 302 CG ARG A 32 -3.716 7.932 -2.559 1.00 0.00 C ATOM 303 CD ARG A 32 -2.210 8.037 -2.806 1.00 0.00 C ATOM 304 NE ARG A 32 -1.927 8.810 -4.020 1.00 0.00 N ATOM 305 CZ ARG A 32 -0.703 8.966 -4.550 1.00 0.00 C ATOM 306 NH1 ARG A 32 0.369 8.385 -3.994 1.00 0.00 N ATOM 307 NH2 ARG A 32 -0.556 9.708 -5.652 1.00 0.00 N ATOM 0 H ARG A 32 -4.824 9.292 -0.589 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.219 6.718 0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.464 6.080 -1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.114 6.668 -1.537 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.205 7.593 -3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.111 8.923 -2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.730 8.510 -1.950 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.783 7.038 -2.899 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.712 9.259 -4.493 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.262 7.814 -3.156 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.292 8.514 -4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.369 10.149 -6.082 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.369 9.833 -6.063 1.00 0.00 H new ATOM 321 N LYS A 33 -1.633 6.771 0.432 1.00 0.00 N ATOM 322 CA LYS A 33 -0.264 6.804 0.882 1.00 0.00 C ATOM 323 C LYS A 33 0.665 7.150 -0.282 1.00 0.00 C ATOM 324 O LYS A 33 0.403 6.805 -1.435 1.00 0.00 O ATOM 325 CB LYS A 33 -0.012 5.401 1.435 1.00 0.00 C ATOM 326 CG LYS A 33 1.411 5.068 1.863 1.00 0.00 C ATOM 327 CD LYS A 33 1.818 5.820 3.131 1.00 0.00 C ATOM 328 CE LYS A 33 3.290 5.610 3.503 1.00 0.00 C ATOM 329 NZ LYS A 33 3.628 4.194 3.742 1.00 0.00 N ATOM 0 H LYS A 33 -1.923 5.844 0.120 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.075 7.564 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.667 5.254 2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.314 4.679 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.496 3.995 2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.100 5.318 1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.632 6.885 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.189 5.493 3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.920 5.998 2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.519 6.188 4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.612 4.123 4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.992 3.802 4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.519 3.657 2.858 1.00 0.00 H new ATOM 343 N LYS A 34 1.759 7.841 0.044 1.00 0.00 N ATOM 344 CA LYS A 34 2.763 8.300 -0.901 1.00 0.00 C ATOM 345 C LYS A 34 3.816 7.204 -1.043 1.00 0.00 C ATOM 346 O LYS A 34 4.052 6.703 -2.141 1.00 0.00 O ATOM 347 CB LYS A 34 3.380 9.603 -0.364 1.00 0.00 C ATOM 348 CG LYS A 34 4.468 10.169 -1.288 1.00 0.00 C ATOM 349 CD LYS A 34 5.165 11.393 -0.674 1.00 0.00 C ATOM 350 CE LYS A 34 6.148 11.003 0.440 1.00 0.00 C ATOM 351 NZ LYS A 34 6.861 12.177 0.975 1.00 0.00 N ATOM 0 H LYS A 34 1.972 8.102 1.007 1.00 0.00 H new ATOM 0 HA LYS A 34 2.331 8.502 -1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.594 10.347 -0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.806 9.419 0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.208 9.395 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.024 10.446 -2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.699 11.934 -1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.414 12.073 -0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.606 10.508 1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.870 10.284 0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.672 11.861 1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.199 12.766 0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.215 12.733 1.571 1.00 0.00 H new ATOM 365 N GLY A 35 4.440 6.845 0.083 1.00 0.00 N ATOM 366 CA GLY A 35 5.539 5.904 0.153 1.00 0.00 C ATOM 367 C GLY A 35 5.112 4.451 -0.030 1.00 0.00 C ATOM 368 O GLY A 35 4.008 4.156 -0.488 1.00 0.00 O ATOM 0 H GLY A 35 4.178 7.219 0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.273 6.157 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.035 6.009 1.118 1.00 0.00 H new ATOM 372 N CYS A 36 6.015 3.543 0.351 1.00 0.00 N ATOM 373 CA CYS A 36 5.855 2.108 0.208 1.00 0.00 C ATOM 374 C CYS A 36 4.688 1.615 1.057 1.00 0.00 C ATOM 375 O CYS A 36 4.640 1.901 2.252 1.00 0.00 O ATOM 376 CB CYS A 36 7.159 1.442 0.635 1.00 0.00 C ATOM 377 SG CYS A 36 7.304 -0.317 0.306 1.00 0.00 S ATOM 0 H CYS A 36 6.903 3.803 0.780 1.00 0.00 H new ATOM 0 HA CYS A 36 5.633 1.854 -0.829 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.982 1.952 0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.289 1.601 1.706 1.00 0.00 H new ATOM 382 N TRP A 37 3.748 0.884 0.449 1.00 0.00 N ATOM 383 CA TRP A 37 2.583 0.368 1.144 1.00 0.00 C ATOM 384 C TRP A 37 3.001 -0.726 2.126 1.00 0.00 C ATOM 385 O TRP A 37 2.712 -0.626 3.316 1.00 0.00 O ATOM 386 CB TRP A 37 1.561 -0.152 0.124 1.00 0.00 C ATOM 387 CG TRP A 37 0.771 0.863 -0.654 1.00 0.00 C ATOM 388 CD1 TRP A 37 0.423 2.100 -0.232 1.00 0.00 C ATOM 389 CD2 TRP A 37 0.183 0.728 -1.985 1.00 0.00 C ATOM 390 NE1 TRP A 37 -0.395 2.706 -1.161 1.00 0.00 N ATOM 391 CE2 TRP A 37 -0.594 1.892 -2.253 1.00 0.00 C ATOM 392 CE3 TRP A 37 0.196 -0.269 -2.984 1.00 0.00 C ATOM 393 CZ2 TRP A 37 -1.363 2.033 -3.416 1.00 0.00 C ATOM 394 CZ3 TRP A 37 -0.489 -0.088 -4.201 1.00 0.00 C ATOM 395 CH2 TRP A 37 -1.309 1.036 -4.398 1.00 0.00 C ATOM 0 H TRP A 37 3.781 0.638 -0.540 1.00 0.00 H new ATOM 0 HA TRP A 37 2.114 1.168 1.717 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.091 -0.783 -0.590 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.855 -0.792 0.653 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.740 2.548 0.698 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.800 3.636 -1.053 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.740 -1.186 -2.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.991 2.901 -3.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.383 -0.819 -4.989 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.894 1.130 -5.301 1.00 0.00 H new ATOM 406 N LYS A 38 3.679 -1.764 1.624 1.00 0.00 N ATOM 407 CA LYS A 38 4.051 -2.928 2.411 1.00 0.00 C ATOM 408 C LYS A 38 5.125 -2.585 3.443 1.00 0.00 C ATOM 409 O LYS A 38 4.846 -2.611 4.641 1.00 0.00 O ATOM 410 CB LYS A 38 4.455 -4.070 1.466 1.00 0.00 C ATOM 411 CG LYS A 38 3.184 -4.695 0.881 1.00 0.00 C ATOM 412 CD LYS A 38 3.479 -5.938 0.035 1.00 0.00 C ATOM 413 CE LYS A 38 2.167 -6.500 -0.526 1.00 0.00 C ATOM 414 NZ LYS A 38 2.382 -7.770 -1.240 1.00 0.00 N ATOM 0 H LYS A 38 3.984 -1.813 0.652 1.00 0.00 H new ATOM 0 HA LYS A 38 3.194 -3.268 2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.093 -3.692 0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.032 -4.821 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.508 -4.964 1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.668 -3.956 0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.156 -5.683 -0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.980 -6.693 0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.459 -6.655 0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.719 -5.773 -1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.551 -7.983 -1.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.223 -7.690 -1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.524 -8.536 -0.551 1.00 0.00 H new ATOM 428 N CYS A 39 6.349 -2.273 2.998 1.00 0.00 N ATOM 429 CA CYS A 39 7.457 -2.021 3.922 1.00 0.00 C ATOM 430 C CYS A 39 7.259 -0.735 4.742 1.00 0.00 C ATOM 431 O CYS A 39 7.770 -0.654 5.857 1.00 0.00 O ATOM 432 CB CYS A 39 8.830 -2.098 3.232 1.00 0.00 C ATOM 433 SG CYS A 39 9.711 -0.544 2.916 1.00 0.00 S ATOM 0 H CYS A 39 6.594 -2.190 2.011 1.00 0.00 H new ATOM 0 HA CYS A 39 7.448 -2.835 4.646 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.476 -2.730 3.842 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.696 -2.606 2.277 1.00 0.00 H new ATOM 438 N GLY A 40 6.537 0.263 4.207 1.00 0.00 N ATOM 439 CA GLY A 40 6.185 1.480 4.930 1.00 0.00 C ATOM 440 C GLY A 40 7.034 2.677 4.514 1.00 0.00 C ATOM 441 O GLY A 40 6.502 3.768 4.308 1.00 0.00 O ATOM 0 H GLY A 40 6.181 0.240 3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.133 1.708 4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.304 1.310 6.000 1.00 0.00 H new ATOM 445 N LYS A 41 8.350 2.463 4.404 1.00 0.00 N ATOM 446 CA LYS A 41 9.343 3.498 4.128 1.00 0.00 C ATOM 447 C LYS A 41 9.043 4.232 2.821 1.00 0.00 C ATOM 448 O LYS A 41 8.751 3.597 1.809 1.00 0.00 O ATOM 449 CB LYS A 41 10.742 2.879 4.052 1.00 0.00 C ATOM 450 CG LYS A 41 11.216 2.286 5.383 1.00 0.00 C ATOM 451 CD LYS A 41 12.451 1.386 5.216 1.00 0.00 C ATOM 452 CE LYS A 41 13.675 2.091 4.616 1.00 0.00 C ATOM 453 NZ LYS A 41 14.145 3.206 5.458 1.00 0.00 N ATOM 0 H LYS A 41 8.762 1.536 4.508 1.00 0.00 H new ATOM 0 HA LYS A 41 9.300 4.219 4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.745 2.097 3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.452 3.641 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.450 3.095 6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.406 1.709 5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.723 0.979 6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.186 0.541 4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.482 1.369 4.489 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.425 2.468 3.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.973 3.652 5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.385 3.909 5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.409 2.845 6.397 1.00 0.00 H new ATOM 467 N GLU A 42 9.134 5.565 2.838 1.00 0.00 N ATOM 468 CA GLU A 42 8.857 6.391 1.672 1.00 0.00 C ATOM 469 C GLU A 42 10.107 6.609 0.818 1.00 0.00 C ATOM 470 O GLU A 42 11.145 5.986 1.043 1.00 0.00 O ATOM 471 CB GLU A 42 8.151 7.690 2.088 1.00 0.00 C ATOM 472 CG GLU A 42 9.018 8.637 2.923 1.00 0.00 C ATOM 473 CD GLU A 42 8.304 9.973 3.102 1.00 0.00 C ATOM 474 OE1 GLU A 42 7.217 9.965 3.718 1.00 0.00 O ATOM 475 OE2 GLU A 42 8.830 10.979 2.579 1.00 0.00 O ATOM 0 H GLU A 42 9.403 6.097 3.665 1.00 0.00 H new ATOM 0 HA GLU A 42 8.163 5.858 1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.821 8.214 1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.256 7.438 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.224 8.192 3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.979 8.791 2.433 1.00 0.00 H new ATOM 482 N GLY A 43 9.979 7.475 -0.193 1.00 0.00 N ATOM 483 CA GLY A 43 11.014 7.728 -1.182 1.00 0.00 C ATOM 484 C GLY A 43 11.014 6.654 -2.277 1.00 0.00 C ATOM 485 O GLY A 43 11.851 6.704 -3.175 1.00 0.00 O ATOM 0 H GLY A 43 9.134 8.027 -0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.858 8.709 -1.632 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.988 7.752 -0.694 1.00 0.00 H new ATOM 489 N HIS A 44 10.085 5.689 -2.202 1.00 0.00 N ATOM 490 CA HIS A 44 9.951 4.571 -3.120 1.00 0.00 C ATOM 491 C HIS A 44 8.599 3.899 -2.855 1.00 0.00 C ATOM 492 O HIS A 44 8.103 3.939 -1.729 1.00 0.00 O ATOM 493 CB HIS A 44 11.115 3.590 -2.919 1.00 0.00 C ATOM 494 CG HIS A 44 11.126 2.926 -1.567 1.00 0.00 C ATOM 495 ND1 HIS A 44 11.769 3.471 -0.467 1.00 0.00 N ATOM 496 CD2 HIS A 44 10.561 1.761 -1.113 1.00 0.00 C ATOM 497 CE1 HIS A 44 11.588 2.624 0.561 1.00 0.00 C ATOM 498 NE2 HIS A 44 10.854 1.555 0.233 1.00 0.00 N ATOM 0 H HIS A 44 9.381 5.675 -1.464 1.00 0.00 H new ATOM 0 HA HIS A 44 9.986 4.911 -4.155 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.067 2.821 -3.690 1.00 0.00 H new ATOM 0 HB3 HIS A 44 12.055 4.123 -3.059 1.00 0.00 H new ATOM 0 HD1 HIS A 44 12.284 4.351 -0.442 1.00 0.00 H new ATOM 0 HD2 HIS A 44 9.968 1.092 -1.719 1.00 0.00 H new ATOM 0 HE1 HIS A 44 11.993 2.789 1.548 1.00 0.00 H new ATOM 506 N GLN A 45 8.011 3.282 -3.885 1.00 0.00 N ATOM 507 CA GLN A 45 6.753 2.552 -3.796 1.00 0.00 C ATOM 508 C GLN A 45 7.024 1.093 -3.422 1.00 0.00 C ATOM 509 O GLN A 45 8.170 0.659 -3.384 1.00 0.00 O ATOM 510 CB GLN A 45 6.030 2.612 -5.149 1.00 0.00 C ATOM 511 CG GLN A 45 5.688 4.049 -5.566 1.00 0.00 C ATOM 512 CD GLN A 45 4.857 4.081 -6.847 1.00 0.00 C ATOM 513 OE1 GLN A 45 3.761 4.636 -6.865 1.00 0.00 O ATOM 514 NE2 GLN A 45 5.371 3.482 -7.922 1.00 0.00 N ATOM 0 H GLN A 45 8.410 3.279 -4.824 1.00 0.00 H new ATOM 0 HA GLN A 45 6.127 3.007 -3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.657 2.154 -5.914 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.114 2.024 -5.095 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.138 4.540 -4.763 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.608 4.614 -5.715 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.285 3.032 -7.867 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.850 3.474 -8.799 1.00 0.00 H new ATOM 523 N MET A 46 5.961 0.327 -3.157 1.00 0.00 N ATOM 524 CA MET A 46 6.026 -1.105 -2.897 1.00 0.00 C ATOM 525 C MET A 46 6.591 -1.827 -4.121 1.00 0.00 C ATOM 526 O MET A 46 7.390 -2.750 -3.978 1.00 0.00 O ATOM 527 CB MET A 46 4.651 -1.581 -2.418 1.00 0.00 C ATOM 528 CG MET A 46 4.517 -3.104 -2.332 1.00 0.00 C ATOM 529 SD MET A 46 4.165 -3.981 -3.883 1.00 0.00 S ATOM 530 CE MET A 46 2.451 -3.470 -4.177 1.00 0.00 C ATOM 0 H MET A 46 5.012 0.699 -3.118 1.00 0.00 H new ATOM 0 HA MET A 46 6.719 -1.347 -2.091 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.451 -1.152 -1.436 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.888 -1.197 -3.095 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.442 -3.504 -1.917 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.723 -3.336 -1.622 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.036 -4.047 -5.003 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.860 -3.646 -3.278 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.425 -2.409 -4.427 1.00 0.00 H new ATOM 540 N LYS A 47 6.200 -1.371 -5.312 1.00 0.00 N ATOM 541 CA LYS A 47 6.723 -1.843 -6.588 1.00 0.00 C ATOM 542 C LYS A 47 8.252 -1.715 -6.611 1.00 0.00 C ATOM 543 O LYS A 47 8.960 -2.679 -6.894 1.00 0.00 O ATOM 544 CB LYS A 47 6.138 -0.990 -7.722 1.00 0.00 C ATOM 545 CG LYS A 47 4.646 -1.233 -7.959 1.00 0.00 C ATOM 546 CD LYS A 47 4.411 -2.503 -8.781 1.00 0.00 C ATOM 547 CE LYS A 47 2.922 -2.644 -9.095 1.00 0.00 C ATOM 548 NZ LYS A 47 2.654 -3.838 -9.914 1.00 0.00 N ATOM 0 H LYS A 47 5.492 -0.644 -5.415 1.00 0.00 H new ATOM 0 HA LYS A 47 6.445 -2.889 -6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.295 0.064 -7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.683 -1.199 -8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.133 -1.318 -7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.214 -0.377 -8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.985 -2.460 -9.706 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.760 -3.375 -8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.357 -2.705 -8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.574 -1.755 -9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.634 -4.039 -9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.971 -3.668 -10.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.168 -4.652 -9.520 1.00 0.00 H new ATOM 562 N ASP A 48 8.740 -0.505 -6.316 1.00 0.00 N ATOM 563 CA ASP A 48 10.142 -0.116 -6.377 1.00 0.00 C ATOM 564 C ASP A 48 10.995 -0.830 -5.327 1.00 0.00 C ATOM 565 O ASP A 48 12.119 -1.235 -5.614 1.00 0.00 O ATOM 566 CB ASP A 48 10.234 1.394 -6.131 1.00 0.00 C ATOM 567 CG ASP A 48 9.389 2.240 -7.080 1.00 0.00 C ATOM 568 OD1 ASP A 48 9.206 1.815 -8.241 1.00 0.00 O ATOM 569 OD2 ASP A 48 8.926 3.303 -6.611 1.00 0.00 O ATOM 0 H ASP A 48 8.136 0.260 -6.015 1.00 0.00 H new ATOM 0 HA ASP A 48 10.523 -0.394 -7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.926 1.602 -5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.276 1.701 -6.220 1.00 0.00 H new ATOM 574 N CYS A 49 10.448 -0.919 -4.108 1.00 0.00 N ATOM 575 CA CYS A 49 11.035 -1.437 -2.877 1.00 0.00 C ATOM 576 C CYS A 49 12.081 -2.534 -3.075 1.00 0.00 C ATOM 577 O CYS A 49 11.878 -3.468 -3.847 1.00 0.00 O ATOM 578 CB CYS A 49 9.910 -1.938 -1.969 1.00 0.00 C ATOM 579 SG CYS A 49 10.366 -2.232 -0.248 1.00 0.00 S ATOM 0 H CYS A 49 9.493 -0.598 -3.950 1.00 0.00 H new ATOM 0 HA CYS A 49 11.579 -0.609 -2.421 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.099 -1.211 -1.992 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.518 -2.866 -2.385 1.00 0.00 H new ATOM 584 N THR A 50 13.192 -2.411 -2.344 1.00 0.00 N ATOM 585 CA THR A 50 14.320 -3.334 -2.349 1.00 0.00 C ATOM 586 C THR A 50 14.473 -4.049 -0.999 1.00 0.00 C ATOM 587 O THR A 50 15.365 -4.882 -0.854 1.00 0.00 O ATOM 588 CB THR A 50 15.591 -2.540 -2.678 1.00 0.00 C ATOM 589 OG1 THR A 50 15.766 -1.507 -1.729 1.00 0.00 O ATOM 590 CG2 THR A 50 15.496 -1.923 -4.075 1.00 0.00 C ATOM 0 H THR A 50 13.332 -1.628 -1.705 1.00 0.00 H new ATOM 0 HA THR A 50 14.147 -4.104 -3.100 1.00 0.00 H new ATOM 0 HB THR A 50 16.440 -3.223 -2.648 1.00 0.00 H new ATOM 0 HG1 THR A 50 16.579 -1.003 -1.941 1.00 0.00 H new ATOM 0 HG21 THR A 50 16.407 -1.364 -4.289 1.00 0.00 H new ATOM 0 HG22 THR A 50 15.374 -2.714 -4.815 1.00 0.00 H new ATOM 0 HG23 THR A 50 14.639 -1.250 -4.118 1.00 0.00 H new ATOM 598 N GLU A 51 13.619 -3.719 -0.021 1.00 0.00 N ATOM 599 CA GLU A 51 13.680 -4.212 1.345 1.00 0.00 C ATOM 600 C GLU A 51 13.236 -5.684 1.390 1.00 0.00 C ATOM 601 O GLU A 51 14.019 -6.568 1.047 1.00 0.00 O ATOM 602 CB GLU A 51 12.849 -3.289 2.252 1.00 0.00 C ATOM 603 CG GLU A 51 13.295 -1.820 2.208 1.00 0.00 C ATOM 604 CD GLU A 51 14.624 -1.589 2.918 1.00 0.00 C ATOM 605 OE1 GLU A 51 14.571 -1.332 4.141 1.00 0.00 O ATOM 606 OE2 GLU A 51 15.660 -1.654 2.225 1.00 0.00 O ATOM 0 H GLU A 51 12.841 -3.077 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 51 14.703 -4.191 1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.801 -3.351 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.913 -3.649 3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.382 -1.502 1.169 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.528 -1.197 2.669 1.00 0.00 H new ATOM 613 N ARG A 52 11.986 -5.957 1.789 1.00 0.00 N ATOM 614 CA ARG A 52 11.399 -7.293 1.778 1.00 0.00 C ATOM 615 C ARG A 52 10.613 -7.430 0.476 1.00 0.00 C ATOM 616 O ARG A 52 9.385 -7.500 0.468 1.00 0.00 O ATOM 617 CB ARG A 52 10.563 -7.492 3.051 1.00 0.00 C ATOM 618 CG ARG A 52 10.346 -8.963 3.452 1.00 0.00 C ATOM 619 CD ARG A 52 9.366 -9.752 2.575 1.00 0.00 C ATOM 620 NE ARG A 52 8.033 -9.131 2.574 1.00 0.00 N ATOM 621 CZ ARG A 52 7.042 -9.414 1.714 1.00 0.00 C ATOM 622 NH1 ARG A 52 7.144 -10.424 0.842 1.00 0.00 N ATOM 623 NH2 ARG A 52 5.926 -8.676 1.722 1.00 0.00 N ATOM 0 H ARG A 52 11.348 -5.239 2.133 1.00 0.00 H new ATOM 0 HA ARG A 52 12.147 -8.086 1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.051 -6.973 3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.591 -7.021 2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.310 -9.471 3.436 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.988 -8.991 4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.747 -9.803 1.555 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.292 -10.777 2.939 1.00 0.00 H new ATOM 0 HE ARG A 52 7.846 -8.426 3.287 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.988 -10.997 0.822 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.378 -10.621 0.198 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.831 -7.902 2.380 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.170 -8.887 1.070 1.00 0.00 H new ATOM 637 N GLN A 53 11.354 -7.432 -0.636 1.00 0.00 N ATOM 638 CA GLN A 53 10.807 -7.538 -1.977 1.00 0.00 C ATOM 639 C GLN A 53 10.774 -9.005 -2.399 1.00 0.00 C ATOM 640 O GLN A 53 11.819 -9.623 -2.592 1.00 0.00 O ATOM 641 CB GLN A 53 11.609 -6.669 -2.944 1.00 0.00 C ATOM 642 CG GLN A 53 10.961 -6.659 -4.336 1.00 0.00 C ATOM 643 CD GLN A 53 9.535 -6.105 -4.345 1.00 0.00 C ATOM 644 OE1 GLN A 53 8.571 -6.865 -4.303 1.00 0.00 O ATOM 645 NE2 GLN A 53 9.399 -4.780 -4.402 1.00 0.00 N ATOM 0 H GLN A 53 12.371 -7.358 -0.621 1.00 0.00 H new ATOM 0 HA GLN A 53 9.782 -7.167 -1.993 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.670 -5.651 -2.559 1.00 0.00 H new ATOM 0 HB3 GLN A 53 12.630 -7.045 -3.016 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.577 -6.064 -5.010 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.949 -7.676 -4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.226 -4.183 -4.436 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.468 -4.363 -4.412 1.00 0.00 H new ATOM 654 N ALA A 54 9.561 -9.547 -2.536 1.00 0.00 N ATOM 655 CA ALA A 54 9.305 -10.921 -2.947 1.00 0.00 C ATOM 656 C ALA A 54 7.827 -11.061 -3.308 1.00 0.00 C ATOM 657 O ALA A 54 7.490 -11.578 -4.372 1.00 0.00 O ATOM 658 CB ALA A 54 9.687 -11.896 -1.828 1.00 0.00 C ATOM 0 H ALA A 54 8.706 -9.021 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 54 9.914 -11.163 -3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.489 -12.918 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.747 -11.787 -1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.097 -11.677 -0.938 1.00 0.00 H new ATOM 664 N ASN A 55 6.955 -10.585 -2.412 1.00 0.00 N ATOM 665 CA ASN A 55 5.515 -10.549 -2.597 1.00 0.00 C ATOM 666 C ASN A 55 4.964 -9.412 -1.736 1.00 0.00 C ATOM 667 O ASN A 55 4.862 -8.289 -2.272 1.00 0.00 O ATOM 668 CB ASN A 55 4.906 -11.915 -2.250 1.00 0.00 C ATOM 669 CG ASN A 55 3.396 -11.953 -2.484 1.00 0.00 C ATOM 670 OD1 ASN A 55 2.933 -12.476 -3.494 1.00 0.00 O ATOM 671 ND2 ASN A 55 2.620 -11.412 -1.543 1.00 0.00 N ATOM 672 OXT ASN A 55 4.655 -9.672 -0.550 1.00 0.00 O ATOM 0 H ASN A 55 7.250 -10.204 -1.513 1.00 0.00 H new ATOM 0 HA ASN A 55 5.249 -10.355 -3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.384 -12.687 -2.852 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.116 -12.149 -1.206 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.606 -11.424 -1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.041 -10.986 -0.717 1.00 0.00 H new TER 679 ASN A 55 HETATM 680 ZN ZN A 56 -9.847 1.619 1.380 1.00 0.00 ZN HETATM 681 ZN ZN A 57 9.513 -0.374 0.701 1.00 0.00 ZN ATOM 682 O5' DG B 101 -21.081 4.639 -6.821 1.00 0.00 O ATOM 683 C5' DG B 101 -21.703 4.456 -5.567 1.00 0.00 C ATOM 684 C4' DG B 101 -21.901 2.973 -5.203 1.00 0.00 C ATOM 685 O4' DG B 101 -21.251 2.107 -6.139 1.00 0.00 O ATOM 686 C3' DG B 101 -21.321 2.638 -3.817 1.00 0.00 C ATOM 687 O3' DG B 101 -22.335 2.350 -2.866 1.00 0.00 O ATOM 688 C2' DG B 101 -20.467 1.423 -4.111 1.00 0.00 C ATOM 689 C1' DG B 101 -20.041 1.657 -5.560 1.00 0.00 C ATOM 690 N9 DG B 101 -18.986 2.669 -5.732 1.00 0.00 N ATOM 691 C8 DG B 101 -18.222 3.275 -4.779 1.00 0.00 C ATOM 692 N7 DG B 101 -17.427 4.199 -5.240 1.00 0.00 N ATOM 693 C5 DG B 101 -17.631 4.149 -6.617 1.00 0.00 C ATOM 694 C6 DG B 101 -17.039 4.912 -7.669 1.00 0.00 C ATOM 695 O6 DG B 101 -16.302 5.888 -7.566 1.00 0.00 O ATOM 696 N1 DG B 101 -17.398 4.447 -8.934 1.00 0.00 N ATOM 697 C2 DG B 101 -18.295 3.415 -9.162 1.00 0.00 C ATOM 698 N2 DG B 101 -18.535 3.073 -10.434 1.00 0.00 N ATOM 699 N3 DG B 101 -18.902 2.742 -8.172 1.00 0.00 N ATOM 700 C4 DG B 101 -18.523 3.152 -6.931 1.00 0.00 C ATOM 0 H5' DG B 101 -22.672 4.955 -5.572 1.00 0.00 H new ATOM 0 H5'' DG B 101 -21.101 4.936 -4.796 1.00 0.00 H new ATOM 0 H4' DG B 101 -22.979 2.815 -5.214 1.00 0.00 H new ATOM 0 H3' DG B 101 -20.768 3.465 -3.371 1.00 0.00 H new ATOM 0 H2' DG B 101 -19.609 1.359 -3.442 1.00 0.00 H new ATOM 0 H2'' DG B 101 -21.029 0.496 -3.998 1.00 0.00 H new ATOM 0 HO5' DG B 101 -20.526 3.858 -7.028 1.00 0.00 H new ATOM 0 H1' DG B 101 -19.603 0.762 -6.003 1.00 0.00 H new ATOM 0 H8 DG B 101 -18.271 3.012 -3.733 1.00 0.00 H new ATOM 0 H1 DG B 101 -16.972 4.896 -9.745 1.00 0.00 H new ATOM 0 H21 DG B 101 -19.188 2.319 -10.645 1.00 0.00 H new ATOM 0 H22 DG B 101 -18.064 3.567 -11.192 1.00 0.00 H new ATOM 713 P DT B 102 -21.972 2.025 -1.321 1.00 0.00 P ATOM 714 OP1 DT B 102 -23.140 2.420 -0.502 1.00 0.00 O ATOM 715 OP2 DT B 102 -20.644 2.604 -1.019 1.00 0.00 O ATOM 716 O5' DT B 102 -21.839 0.411 -1.268 1.00 0.00 O ATOM 717 C5' DT B 102 -22.694 -0.375 -0.453 1.00 0.00 C ATOM 718 C4' DT B 102 -22.380 -1.883 -0.500 1.00 0.00 C ATOM 719 O4' DT B 102 -23.136 -2.476 -1.544 1.00 0.00 O ATOM 720 C3' DT B 102 -20.900 -2.210 -0.751 1.00 0.00 C ATOM 721 O3' DT B 102 -20.544 -3.434 -0.120 1.00 0.00 O ATOM 722 C2' DT B 102 -20.902 -2.356 -2.266 1.00 0.00 C ATOM 723 C1' DT B 102 -22.261 -2.989 -2.529 1.00 0.00 C ATOM 724 N1 DT B 102 -22.752 -2.659 -3.894 1.00 0.00 N ATOM 725 C2 DT B 102 -22.674 -3.630 -4.894 1.00 0.00 C ATOM 726 O2 DT B 102 -22.237 -4.762 -4.702 1.00 0.00 O ATOM 727 N3 DT B 102 -23.123 -3.254 -6.153 1.00 0.00 N ATOM 728 C4 DT B 102 -23.661 -2.020 -6.489 1.00 0.00 C ATOM 729 O4 DT B 102 -24.033 -1.803 -7.640 1.00 0.00 O ATOM 730 C5 DT B 102 -23.725 -1.073 -5.389 1.00 0.00 C ATOM 731 C7 DT B 102 -24.336 0.292 -5.629 1.00 0.00 C ATOM 732 C6 DT B 102 -23.274 -1.414 -4.155 1.00 0.00 C ATOM 0 H5' DT B 102 -23.726 -0.218 -0.767 1.00 0.00 H new ATOM 0 H5'' DT B 102 -22.618 -0.029 0.578 1.00 0.00 H new ATOM 0 H4' DT B 102 -22.637 -2.277 0.483 1.00 0.00 H new ATOM 0 H3' DT B 102 -20.193 -1.474 -0.367 1.00 0.00 H new ATOM 0 H2' DT B 102 -20.798 -1.394 -2.767 1.00 0.00 H new ATOM 0 H2'' DT B 102 -20.085 -2.987 -2.615 1.00 0.00 H new ATOM 0 H1' DT B 102 -22.200 -4.076 -2.477 1.00 0.00 H new ATOM 0 H3 DT B 102 -23.051 -3.947 -6.898 1.00 0.00 H new ATOM 0 H71 DT B 102 -24.790 0.655 -4.707 1.00 0.00 H new ATOM 0 H72 DT B 102 -23.560 0.987 -5.949 1.00 0.00 H new ATOM 0 H73 DT B 102 -25.099 0.218 -6.404 1.00 0.00 H new ATOM 0 H6 DT B 102 -23.327 -0.688 -3.357 1.00 0.00 H new ATOM 745 P DC B 103 -19.006 -3.951 -0.023 1.00 0.00 P ATOM 746 OP1 DC B 103 -18.965 -5.071 0.944 1.00 0.00 O ATOM 747 OP2 DC B 103 -18.132 -2.776 0.192 1.00 0.00 O ATOM 748 O5' DC B 103 -18.674 -4.550 -1.489 1.00 0.00 O ATOM 749 C5' DC B 103 -19.149 -5.819 -1.900 1.00 0.00 C ATOM 750 C4' DC B 103 -18.741 -6.128 -3.347 1.00 0.00 C ATOM 751 O4' DC B 103 -19.458 -5.326 -4.270 1.00 0.00 O ATOM 752 C3' DC B 103 -17.248 -5.896 -3.629 1.00 0.00 C ATOM 753 O3' DC B 103 -16.717 -7.086 -4.202 1.00 0.00 O ATOM 754 C2' DC B 103 -17.280 -4.740 -4.628 1.00 0.00 C ATOM 755 C1' DC B 103 -18.595 -5.016 -5.346 1.00 0.00 C ATOM 756 N1 DC B 103 -19.121 -3.843 -6.097 1.00 0.00 N ATOM 757 C2 DC B 103 -19.422 -3.950 -7.458 1.00 0.00 C ATOM 758 O2 DC B 103 -19.151 -4.969 -8.089 1.00 0.00 O ATOM 759 N3 DC B 103 -20.006 -2.883 -8.089 1.00 0.00 N ATOM 760 C4 DC B 103 -20.392 -1.800 -7.393 1.00 0.00 C ATOM 761 N4 DC B 103 -20.878 -0.734 -8.037 1.00 0.00 N ATOM 762 C5 DC B 103 -20.123 -1.698 -5.990 1.00 0.00 C ATOM 763 C6 DC B 103 -19.447 -2.702 -5.416 1.00 0.00 C ATOM 0 H5' DC B 103 -20.235 -5.848 -1.812 1.00 0.00 H new ATOM 0 H5'' DC B 103 -18.755 -6.589 -1.237 1.00 0.00 H new ATOM 0 H4' DC B 103 -18.971 -7.186 -3.472 1.00 0.00 H new ATOM 0 H3' DC B 103 -16.631 -5.667 -2.760 1.00 0.00 H new ATOM 0 H2' DC B 103 -17.275 -3.768 -4.135 1.00 0.00 H new ATOM 0 H2'' DC B 103 -16.427 -4.757 -5.307 1.00 0.00 H new ATOM 0 H1' DC B 103 -18.491 -5.794 -6.102 1.00 0.00 H new ATOM 0 H41 DC B 103 -21.172 0.089 -7.511 1.00 0.00 H new ATOM 0 H42 DC B 103 -20.955 -0.744 -9.054 1.00 0.00 H new ATOM 0 H5 DC B 103 -20.453 -0.844 -5.417 1.00 0.00 H new ATOM 0 H6 DC B 103 -19.150 -2.608 -4.382 1.00 0.00 H new ATOM 775 P DC B 104 -15.176 -7.235 -4.677 1.00 0.00 P ATOM 776 OP1 DC B 104 -14.828 -8.673 -4.630 1.00 0.00 O ATOM 777 OP2 DC B 104 -14.353 -6.270 -3.917 1.00 0.00 O ATOM 778 O5' DC B 104 -15.195 -6.775 -6.226 1.00 0.00 O ATOM 779 C5' DC B 104 -15.778 -7.582 -7.237 1.00 0.00 C ATOM 780 C4' DC B 104 -15.512 -7.000 -8.633 1.00 0.00 C ATOM 781 O4' DC B 104 -16.186 -5.760 -8.784 1.00 0.00 O ATOM 782 C3' DC B 104 -14.017 -6.740 -8.873 1.00 0.00 C ATOM 783 O3' DC B 104 -13.689 -7.053 -10.218 1.00 0.00 O ATOM 784 C2' DC B 104 -13.939 -5.234 -8.655 1.00 0.00 C ATOM 785 C1' DC B 104 -15.256 -4.811 -9.277 1.00 0.00 C ATOM 786 N1 DC B 104 -15.604 -3.416 -8.907 1.00 0.00 N ATOM 787 C2 DC B 104 -15.195 -2.377 -9.736 1.00 0.00 C ATOM 788 O2 DC B 104 -14.440 -2.590 -10.679 1.00 0.00 O ATOM 789 N3 DC B 104 -15.649 -1.119 -9.471 1.00 0.00 N ATOM 790 C4 DC B 104 -16.414 -0.872 -8.392 1.00 0.00 C ATOM 791 N4 DC B 104 -16.877 0.365 -8.199 1.00 0.00 N ATOM 792 C5 DC B 104 -16.696 -1.903 -7.432 1.00 0.00 C ATOM 793 C6 DC B 104 -16.279 -3.148 -7.750 1.00 0.00 C ATOM 0 H5' DC B 104 -16.852 -7.659 -7.071 1.00 0.00 H new ATOM 0 H5'' DC B 104 -15.373 -8.592 -7.178 1.00 0.00 H new ATOM 0 H4' DC B 104 -15.873 -7.737 -9.351 1.00 0.00 H new ATOM 0 H3' DC B 104 -13.345 -7.322 -8.242 1.00 0.00 H new ATOM 0 H2' DC B 104 -13.872 -4.968 -7.600 1.00 0.00 H new ATOM 0 H2'' DC B 104 -13.079 -4.785 -9.152 1.00 0.00 H new ATOM 0 H1' DC B 104 -15.232 -4.801 -10.367 1.00 0.00 H new ATOM 0 H41 DC B 104 -17.458 0.571 -7.387 1.00 0.00 H new ATOM 0 H42 DC B 104 -16.649 1.104 -8.864 1.00 0.00 H new ATOM 0 H5 DC B 104 -17.213 -1.694 -6.507 1.00 0.00 H new ATOM 0 H6 DC B 104 -16.486 -3.958 -7.067 1.00 0.00 H new ATOM 805 P DC B 105 -12.260 -7.694 -10.609 1.00 0.00 P ATOM 806 OP1 DC B 105 -12.188 -7.775 -12.085 1.00 0.00 O ATOM 807 OP2 DC B 105 -12.065 -8.914 -9.795 1.00 0.00 O ATOM 808 O5' DC B 105 -11.215 -6.577 -10.101 1.00 0.00 O ATOM 809 C5' DC B 105 -10.347 -5.886 -10.979 1.00 0.00 C ATOM 810 C4' DC B 105 -9.463 -4.897 -10.199 1.00 0.00 C ATOM 811 O4' DC B 105 -10.181 -3.696 -9.949 1.00 0.00 O ATOM 812 C3' DC B 105 -9.036 -5.452 -8.833 1.00 0.00 C ATOM 813 O3' DC B 105 -7.729 -5.019 -8.498 1.00 0.00 O ATOM 814 C2' DC B 105 -10.055 -4.786 -7.914 1.00 0.00 C ATOM 815 C1' DC B 105 -10.149 -3.402 -8.562 1.00 0.00 C ATOM 816 N1 DC B 105 -11.312 -2.547 -8.174 1.00 0.00 N ATOM 817 C2 DC B 105 -11.471 -1.311 -8.819 1.00 0.00 C ATOM 818 O2 DC B 105 -10.790 -0.994 -9.795 1.00 0.00 O ATOM 819 N3 DC B 105 -12.399 -0.437 -8.338 1.00 0.00 N ATOM 820 C4 DC B 105 -13.196 -0.766 -7.314 1.00 0.00 C ATOM 821 N4 DC B 105 -14.042 0.152 -6.837 1.00 0.00 N ATOM 822 C5 DC B 105 -13.125 -2.063 -6.706 1.00 0.00 C ATOM 823 C6 DC B 105 -12.168 -2.904 -7.158 1.00 0.00 C ATOM 0 H5' DC B 105 -10.930 -5.349 -11.727 1.00 0.00 H new ATOM 0 H5'' DC B 105 -9.720 -6.599 -11.515 1.00 0.00 H new ATOM 0 H4' DC B 105 -8.581 -4.722 -10.814 1.00 0.00 H new ATOM 0 H3' DC B 105 -9.012 -6.541 -8.783 1.00 0.00 H new ATOM 0 H2' DC B 105 -11.012 -5.308 -7.909 1.00 0.00 H new ATOM 0 H2'' DC B 105 -9.712 -4.738 -6.880 1.00 0.00 H new ATOM 0 H1' DC B 105 -9.311 -2.791 -8.227 1.00 0.00 H new ATOM 0 H41 DC B 105 -14.658 -0.078 -6.057 1.00 0.00 H new ATOM 0 H42 DC B 105 -14.072 1.083 -7.253 1.00 0.00 H new ATOM 0 H5 DC B 105 -13.807 -2.355 -5.921 1.00 0.00 H new ATOM 0 H6 DC B 105 -12.073 -3.882 -6.710 1.00 0.00 H new ATOM 835 P DT B 106 -6.425 -5.857 -8.954 1.00 0.00 P ATOM 836 OP1 DT B 106 -6.647 -6.382 -10.319 1.00 0.00 O ATOM 837 OP2 DT B 106 -6.073 -6.779 -7.852 1.00 0.00 O ATOM 838 O5' DT B 106 -5.294 -4.715 -9.030 1.00 0.00 O ATOM 839 C5' DT B 106 -5.198 -3.824 -10.121 1.00 0.00 C ATOM 840 C4' DT B 106 -4.370 -2.603 -9.708 1.00 0.00 C ATOM 841 O4' DT B 106 -4.906 -2.052 -8.514 1.00 0.00 O ATOM 842 C3' DT B 106 -2.885 -2.920 -9.475 1.00 0.00 C ATOM 843 O3' DT B 106 -2.090 -2.390 -10.521 1.00 0.00 O ATOM 844 C2' DT B 106 -2.593 -2.269 -8.118 1.00 0.00 C ATOM 845 C1' DT B 106 -3.970 -2.183 -7.459 1.00 0.00 C ATOM 846 N1 DT B 106 -4.377 -3.265 -6.507 1.00 0.00 N ATOM 847 C2 DT B 106 -3.780 -4.536 -6.475 1.00 0.00 C ATOM 848 O2 DT B 106 -2.958 -4.943 -7.288 1.00 0.00 O ATOM 849 N3 DT B 106 -4.140 -5.365 -5.416 1.00 0.00 N ATOM 850 C4 DT B 106 -4.982 -5.034 -4.367 1.00 0.00 C ATOM 851 O4 DT B 106 -5.199 -5.839 -3.464 1.00 0.00 O ATOM 852 C5 DT B 106 -5.529 -3.696 -4.458 1.00 0.00 C ATOM 853 C7 DT B 106 -6.336 -3.119 -3.328 1.00 0.00 C ATOM 854 C6 DT B 106 -5.230 -2.891 -5.503 1.00 0.00 C ATOM 0 H5' DT B 106 -6.193 -3.512 -10.439 1.00 0.00 H new ATOM 0 H5'' DT B 106 -4.733 -4.322 -10.972 1.00 0.00 H new ATOM 0 H4' DT B 106 -4.426 -1.897 -10.537 1.00 0.00 H new ATOM 0 H3' DT B 106 -2.657 -3.986 -9.470 1.00 0.00 H new ATOM 0 H2' DT B 106 -1.902 -2.868 -7.526 1.00 0.00 H new ATOM 0 H2'' DT B 106 -2.142 -1.284 -8.234 1.00 0.00 H new ATOM 0 H1' DT B 106 -3.930 -1.327 -6.785 1.00 0.00 H new ATOM 0 H3 DT B 106 -3.746 -6.306 -5.412 1.00 0.00 H new ATOM 0 H71 DT B 106 -6.853 -3.922 -2.803 1.00 0.00 H new ATOM 0 H72 DT B 106 -5.673 -2.600 -2.636 1.00 0.00 H new ATOM 0 H73 DT B 106 -7.068 -2.416 -3.726 1.00 0.00 H new ATOM 0 H6 DT B 106 -5.683 -1.912 -5.548 1.00 0.00 H new ATOM 867 P DG B 107 -0.477 -2.504 -10.515 1.00 0.00 P ATOM 868 OP1 DG B 107 0.008 -2.511 -11.911 1.00 0.00 O ATOM 869 OP2 DG B 107 -0.082 -3.608 -9.612 1.00 0.00 O ATOM 870 O5' DG B 107 -0.003 -1.120 -9.837 1.00 0.00 O ATOM 871 C5' DG B 107 -0.377 0.123 -10.399 1.00 0.00 C ATOM 872 C4' DG B 107 0.160 1.296 -9.575 1.00 0.00 C ATOM 873 O4' DG B 107 0.060 1.069 -8.181 1.00 0.00 O ATOM 874 C3' DG B 107 1.630 1.637 -9.809 1.00 0.00 C ATOM 875 O3' DG B 107 1.793 2.331 -11.036 1.00 0.00 O ATOM 876 C2' DG B 107 1.923 2.474 -8.561 1.00 0.00 C ATOM 877 C1' DG B 107 0.847 2.065 -7.557 1.00 0.00 C ATOM 878 N9 DG B 107 1.489 1.591 -6.319 1.00 0.00 N ATOM 879 C8 DG B 107 2.051 0.369 -6.058 1.00 0.00 C ATOM 880 N7 DG B 107 2.678 0.306 -4.918 1.00 0.00 N ATOM 881 C5 DG B 107 2.514 1.578 -4.378 1.00 0.00 C ATOM 882 C6 DG B 107 2.971 2.123 -3.141 1.00 0.00 C ATOM 883 O6 DG B 107 3.568 1.542 -2.244 1.00 0.00 O ATOM 884 N1 DG B 107 2.681 3.476 -3.006 1.00 0.00 N ATOM 885 C2 DG B 107 1.984 4.214 -3.943 1.00 0.00 C ATOM 886 N2 DG B 107 1.823 5.517 -3.700 1.00 0.00 N ATOM 887 N3 DG B 107 1.502 3.692 -5.081 1.00 0.00 N ATOM 888 C4 DG B 107 1.807 2.377 -5.241 1.00 0.00 C ATOM 0 H5' DG B 107 -1.464 0.185 -10.457 1.00 0.00 H new ATOM 0 H5'' DG B 107 0.001 0.191 -11.419 1.00 0.00 H new ATOM 0 H4' DG B 107 -0.471 2.116 -9.917 1.00 0.00 H new ATOM 0 H3' DG B 107 2.312 0.793 -9.917 1.00 0.00 H new ATOM 0 H2' DG B 107 2.922 2.272 -8.175 1.00 0.00 H new ATOM 0 H2'' DG B 107 1.875 3.541 -8.780 1.00 0.00 H new ATOM 0 H1' DG B 107 0.205 2.899 -7.273 1.00 0.00 H new ATOM 0 H8 DG B 107 1.980 -0.468 -6.737 1.00 0.00 H new ATOM 0 H1 DG B 107 3.003 3.953 -2.164 1.00 0.00 H new ATOM 0 H21 DG B 107 1.315 6.101 -4.364 1.00 0.00 H new ATOM 0 H22 DG B 107 2.208 5.929 -2.850 1.00 0.00 H new ATOM 900 P DT B 108 3.070 3.273 -11.352 1.00 0.00 P ATOM 901 OP1 DT B 108 3.311 3.246 -12.812 1.00 0.00 O ATOM 902 OP2 DT B 108 4.165 2.929 -10.418 1.00 0.00 O ATOM 903 O5' DT B 108 2.470 4.719 -10.936 1.00 0.00 O ATOM 904 C5' DT B 108 2.242 5.743 -11.886 1.00 0.00 C ATOM 905 C4' DT B 108 1.120 6.685 -11.433 1.00 0.00 C ATOM 906 O4' DT B 108 -0.119 5.989 -11.455 1.00 0.00 O ATOM 907 C3' DT B 108 1.286 7.285 -10.024 1.00 0.00 C ATOM 908 O3' DT B 108 0.994 8.675 -10.144 1.00 0.00 O ATOM 909 C2' DT B 108 0.243 6.485 -9.236 1.00 0.00 C ATOM 910 C1' DT B 108 -0.840 6.350 -10.296 1.00 0.00 C ATOM 911 N1 DT B 108 -1.987 5.429 -10.055 1.00 0.00 N ATOM 912 C2 DT B 108 -3.140 5.654 -10.808 1.00 0.00 C ATOM 913 O2 DT B 108 -3.221 6.528 -11.669 1.00 0.00 O ATOM 914 N3 DT B 108 -4.223 4.825 -10.549 1.00 0.00 N ATOM 915 C4 DT B 108 -4.230 3.753 -9.671 1.00 0.00 C ATOM 916 O4 DT B 108 -5.246 3.083 -9.525 1.00 0.00 O ATOM 917 C5 DT B 108 -2.972 3.531 -8.986 1.00 0.00 C ATOM 918 C7 DT B 108 -2.845 2.338 -8.059 1.00 0.00 C ATOM 919 C6 DT B 108 -1.916 4.362 -9.190 1.00 0.00 C ATOM 0 H5' DT B 108 1.981 5.299 -12.847 1.00 0.00 H new ATOM 0 H5'' DT B 108 3.159 6.313 -12.037 1.00 0.00 H new ATOM 0 H4' DT B 108 1.158 7.517 -12.136 1.00 0.00 H new ATOM 0 H3' DT B 108 2.264 7.222 -9.547 1.00 0.00 H new ATOM 0 H2' DT B 108 0.623 5.519 -8.903 1.00 0.00 H new ATOM 0 H2'' DT B 108 -0.105 7.014 -8.349 1.00 0.00 H new ATOM 0 H1' DT B 108 -1.384 7.293 -10.341 1.00 0.00 H new ATOM 0 H3 DT B 108 -5.090 5.022 -11.049 1.00 0.00 H new ATOM 0 H71 DT B 108 -3.818 2.110 -7.624 1.00 0.00 H new ATOM 0 H72 DT B 108 -2.488 1.476 -8.622 1.00 0.00 H new ATOM 0 H73 DT B 108 -2.137 2.569 -7.263 1.00 0.00 H new ATOM 0 H6 DT B 108 -0.994 4.179 -8.657 1.00 0.00 H new ATOM 932 P DT B 109 0.674 9.664 -8.902 1.00 0.00 P ATOM 933 OP1 DT B 109 1.070 11.035 -9.288 1.00 0.00 O ATOM 934 OP2 DT B 109 1.211 9.074 -7.654 1.00 0.00 O ATOM 935 O5' DT B 109 -0.944 9.617 -8.835 1.00 0.00 O ATOM 936 C5' DT B 109 -1.730 10.155 -9.889 1.00 0.00 C ATOM 937 C4' DT B 109 -3.223 9.807 -9.772 1.00 0.00 C ATOM 938 O4' DT B 109 -3.382 8.422 -9.470 1.00 0.00 O ATOM 939 C3' DT B 109 -3.997 10.594 -8.698 1.00 0.00 C ATOM 940 O3' DT B 109 -5.311 10.758 -9.217 1.00 0.00 O ATOM 941 C2' DT B 109 -3.912 9.575 -7.566 1.00 0.00 C ATOM 942 C1' DT B 109 -4.248 8.322 -8.358 1.00 0.00 C ATOM 943 N1 DT B 109 -4.047 7.098 -7.551 1.00 0.00 N ATOM 944 C2 DT B 109 -5.093 6.188 -7.402 1.00 0.00 C ATOM 945 O2 DT B 109 -6.195 6.329 -7.928 1.00 0.00 O ATOM 946 N3 DT B 109 -4.824 5.077 -6.612 1.00 0.00 N ATOM 947 C4 DT B 109 -3.611 4.780 -6.012 1.00 0.00 C ATOM 948 O4 DT B 109 -3.498 3.758 -5.344 1.00 0.00 O ATOM 949 C5 DT B 109 -2.569 5.763 -6.250 1.00 0.00 C ATOM 950 C7 DT B 109 -1.141 5.478 -5.845 1.00 0.00 C ATOM 951 C6 DT B 109 -2.830 6.875 -6.978 1.00 0.00 C ATOM 0 H5' DT B 109 -1.351 9.784 -10.841 1.00 0.00 H new ATOM 0 H5'' DT B 109 -1.616 11.239 -9.901 1.00 0.00 H new ATOM 0 H4' DT B 109 -3.639 10.079 -10.742 1.00 0.00 H new ATOM 0 H3' DT B 109 -3.656 11.585 -8.400 1.00 0.00 H new ATOM 0 H2' DT B 109 -2.923 9.533 -7.109 1.00 0.00 H new ATOM 0 H2'' DT B 109 -4.625 9.773 -6.766 1.00 0.00 H new ATOM 0 H1' DT B 109 -5.293 8.249 -8.659 1.00 0.00 H new ATOM 0 H3 DT B 109 -5.589 4.420 -6.460 1.00 0.00 H new ATOM 0 H71 DT B 109 -1.134 4.819 -4.977 1.00 0.00 H new ATOM 0 H72 DT B 109 -0.618 4.996 -6.671 1.00 0.00 H new ATOM 0 H73 DT B 109 -0.640 6.413 -5.595 1.00 0.00 H new ATOM 0 H6 DT B 109 -2.049 7.609 -7.109 1.00 0.00 H new ATOM 964 P DC B 110 -6.535 11.494 -8.458 1.00 0.00 P ATOM 965 OP1 DC B 110 -6.667 12.854 -9.022 1.00 0.00 O ATOM 966 OP2 DC B 110 -6.387 11.312 -6.997 1.00 0.00 O ATOM 967 O5' DC B 110 -7.806 10.610 -8.951 1.00 0.00 O ATOM 968 C5' DC B 110 -7.727 9.802 -10.114 1.00 0.00 C ATOM 969 C4' DC B 110 -9.066 9.180 -10.522 1.00 0.00 C ATOM 970 O4' DC B 110 -9.726 8.487 -9.483 1.00 0.00 O ATOM 971 C3' DC B 110 -10.074 10.188 -11.078 1.00 0.00 C ATOM 972 O3' DC B 110 -9.917 10.204 -12.487 1.00 0.00 O ATOM 973 C2' DC B 110 -11.407 9.639 -10.544 1.00 0.00 C ATOM 974 C1' DC B 110 -11.044 8.275 -9.956 1.00 0.00 C ATOM 975 N1 DC B 110 -11.947 7.775 -8.875 1.00 0.00 N ATOM 976 C2 DC B 110 -11.586 6.586 -8.235 1.00 0.00 C ATOM 977 O2 DC B 110 -10.650 5.904 -8.648 1.00 0.00 O ATOM 978 N3 DC B 110 -12.306 6.185 -7.149 1.00 0.00 N ATOM 979 C4 DC B 110 -13.382 6.866 -6.732 1.00 0.00 C ATOM 980 N4 DC B 110 -14.023 6.464 -5.628 1.00 0.00 N ATOM 981 C5 DC B 110 -13.851 8.014 -7.454 1.00 0.00 C ATOM 982 C6 DC B 110 -13.106 8.426 -8.508 1.00 0.00 C ATOM 0 H5' DC B 110 -7.003 9.005 -9.944 1.00 0.00 H new ATOM 0 H5'' DC B 110 -7.350 10.405 -10.940 1.00 0.00 H new ATOM 0 H4' DC B 110 -8.759 8.481 -11.300 1.00 0.00 H new ATOM 0 H3' DC B 110 -9.973 11.233 -10.784 1.00 0.00 H new ATOM 0 H2' DC B 110 -11.834 10.297 -9.788 1.00 0.00 H new ATOM 0 H2'' DC B 110 -12.146 9.545 -11.340 1.00 0.00 H new ATOM 0 H1' DC B 110 -11.143 7.488 -10.704 1.00 0.00 H new ATOM 0 H41 DC B 110 -14.843 6.974 -5.300 1.00 0.00 H new ATOM 0 H42 DC B 110 -13.691 5.648 -5.114 1.00 0.00 H new ATOM 0 H5 DC B 110 -14.758 8.527 -7.170 1.00 0.00 H new ATOM 0 H6 DC B 110 -13.428 9.287 -9.075 1.00 0.00 H new ATOM 994 P DG B 111 -11.007 10.832 -13.492 1.00 0.00 P ATOM 995 OP1 DG B 111 -10.322 11.232 -14.742 1.00 0.00 O ATOM 996 OP2 DG B 111 -11.840 11.808 -12.755 1.00 0.00 O ATOM 997 O5' DG B 111 -11.883 9.513 -13.785 1.00 0.00 O ATOM 998 C5' DG B 111 -11.390 8.477 -14.614 1.00 0.00 C ATOM 999 C4' DG B 111 -12.305 7.251 -14.576 1.00 0.00 C ATOM 1000 O4' DG B 111 -12.105 6.521 -13.370 1.00 0.00 O ATOM 1001 C3' DG B 111 -13.801 7.616 -14.657 1.00 0.00 C ATOM 1002 O3' DG B 111 -14.432 6.846 -15.660 1.00 0.00 O ATOM 1003 C2' DG B 111 -14.274 7.190 -13.273 1.00 0.00 C ATOM 1004 C1' DG B 111 -13.364 5.993 -13.027 1.00 0.00 C ATOM 1005 N9 DG B 111 -13.467 5.490 -11.639 1.00 0.00 N ATOM 1006 C8 DG B 111 -14.186 6.042 -10.612 1.00 0.00 C ATOM 1007 N7 DG B 111 -14.228 5.312 -9.536 1.00 0.00 N ATOM 1008 C5 DG B 111 -13.482 4.189 -9.864 1.00 0.00 C ATOM 1009 C6 DG B 111 -13.210 3.024 -9.088 1.00 0.00 C ATOM 1010 O6 DG B 111 -13.560 2.784 -7.938 1.00 0.00 O ATOM 1011 N1 DG B 111 -12.480 2.072 -9.790 1.00 0.00 N ATOM 1012 C2 DG B 111 -12.057 2.223 -11.095 1.00 0.00 C ATOM 1013 N2 DG B 111 -11.397 1.184 -11.623 1.00 0.00 N ATOM 1014 N3 DG B 111 -12.306 3.324 -11.830 1.00 0.00 N ATOM 1015 C4 DG B 111 -13.021 4.274 -11.158 1.00 0.00 C ATOM 0 H5' DG B 111 -10.388 8.196 -14.291 1.00 0.00 H new ATOM 0 H5'' DG B 111 -11.305 8.838 -15.639 1.00 0.00 H new ATOM 0 H4' DG B 111 -12.042 6.655 -15.450 1.00 0.00 H new ATOM 0 H3' DG B 111 -14.010 8.657 -14.903 1.00 0.00 H new ATOM 0 H2' DG B 111 -14.138 7.974 -12.528 1.00 0.00 H new ATOM 0 H2'' DG B 111 -15.330 6.918 -13.261 1.00 0.00 H new ATOM 0 H1' DG B 111 -13.611 5.102 -13.605 1.00 0.00 H new ATOM 0 H8 DG B 111 -14.676 7.001 -10.689 1.00 0.00 H new ATOM 0 H1 DG B 111 -12.241 1.205 -9.309 1.00 0.00 H new ATOM 0 H21 DG B 111 -11.057 1.231 -12.584 1.00 0.00 H new ATOM 0 H22 DG B 111 -11.234 0.346 -11.065 1.00 0.00 H new ATOM 1027 P DG B 112 -15.817 7.305 -16.355 1.00 0.00 P ATOM 1028 OP1 DG B 112 -15.552 8.495 -17.194 1.00 0.00 O ATOM 1029 OP2 DG B 112 -16.878 7.346 -15.325 1.00 0.00 O ATOM 1030 O5' DG B 112 -16.096 6.047 -17.324 1.00 0.00 O ATOM 1031 C5' DG B 112 -15.155 5.666 -18.312 1.00 0.00 C ATOM 1032 C4' DG B 112 -14.747 4.206 -18.098 1.00 0.00 C ATOM 1033 O4' DG B 112 -14.364 4.040 -16.738 1.00 0.00 O ATOM 1034 C3' DG B 112 -15.893 3.222 -18.389 1.00 0.00 C ATOM 1035 O3' DG B 112 -15.578 2.202 -19.336 1.00 0.00 O ATOM 1036 C2' DG B 112 -16.288 2.712 -17.009 1.00 0.00 C ATOM 1037 C1' DG B 112 -15.003 2.895 -16.208 1.00 0.00 C ATOM 1038 N9 DG B 112 -15.289 3.036 -14.760 1.00 0.00 N ATOM 1039 C8 DG B 112 -16.014 4.002 -14.106 1.00 0.00 C ATOM 1040 N7 DG B 112 -16.186 3.777 -12.832 1.00 0.00 N ATOM 1041 C5 DG B 112 -15.542 2.563 -12.624 1.00 0.00 C ATOM 1042 C6 DG B 112 -15.445 1.761 -11.447 1.00 0.00 C ATOM 1043 O6 DG B 112 -15.831 2.032 -10.315 1.00 0.00 O ATOM 1044 N1 DG B 112 -14.829 0.536 -11.685 1.00 0.00 N ATOM 1045 C2 DG B 112 -14.262 0.174 -12.894 1.00 0.00 C ATOM 1046 N2 DG B 112 -13.676 -1.024 -12.974 1.00 0.00 N ATOM 1047 N3 DG B 112 -14.307 0.947 -13.986 1.00 0.00 N ATOM 1048 C4 DG B 112 -14.979 2.113 -13.793 1.00 0.00 C ATOM 0 H5' DG B 112 -14.277 6.310 -18.260 1.00 0.00 H new ATOM 0 H5'' DG B 112 -15.585 5.792 -19.306 1.00 0.00 H new ATOM 0 H4' DG B 112 -13.931 3.989 -18.787 1.00 0.00 H new ATOM 0 H3' DG B 112 -16.727 3.706 -18.898 1.00 0.00 H new ATOM 0 H2' DG B 112 -17.114 3.284 -16.586 1.00 0.00 H new ATOM 0 H2'' DG B 112 -16.603 1.669 -17.037 1.00 0.00 H new ATOM 0 H1' DG B 112 -14.355 2.023 -16.293 1.00 0.00 H new ATOM 0 H8 DG B 112 -16.409 4.875 -14.604 1.00 0.00 H new ATOM 0 H1 DG B 112 -14.793 -0.137 -10.920 1.00 0.00 H new ATOM 0 H21 DG B 112 -13.247 -1.325 -13.849 1.00 0.00 H new ATOM 0 H22 DG B 112 -13.657 -1.638 -12.160 1.00 0.00 H new ATOM 1060 P DG B 113 -14.404 1.083 -19.186 1.00 0.00 P ATOM 1061 OP1 DG B 113 -13.187 1.707 -18.624 1.00 0.00 O ATOM 1062 OP2 DG B 113 -14.313 0.371 -20.481 1.00 0.00 O ATOM 1063 O5' DG B 113 -14.970 0.032 -18.102 1.00 0.00 O ATOM 1064 C5' DG B 113 -14.205 -1.100 -17.732 1.00 0.00 C ATOM 1065 C4' DG B 113 -15.013 -2.046 -16.841 1.00 0.00 C ATOM 1066 O4' DG B 113 -15.321 -1.436 -15.599 1.00 0.00 O ATOM 1067 C3' DG B 113 -16.343 -2.484 -17.480 1.00 0.00 C ATOM 1068 O3' DG B 113 -16.368 -3.902 -17.572 1.00 0.00 O ATOM 1069 C2' DG B 113 -17.371 -1.941 -16.490 1.00 0.00 C ATOM 1070 C1' DG B 113 -16.569 -1.953 -15.198 1.00 0.00 C ATOM 1071 N9 DG B 113 -17.202 -1.130 -14.145 1.00 0.00 N ATOM 1072 C8 DG B 113 -17.566 0.191 -14.194 1.00 0.00 C ATOM 1073 N7 DG B 113 -18.174 0.618 -13.122 1.00 0.00 N ATOM 1074 C5 DG B 113 -18.224 -0.502 -12.298 1.00 0.00 C ATOM 1075 C6 DG B 113 -18.836 -0.679 -11.020 1.00 0.00 C ATOM 1076 O6 DG B 113 -19.452 0.155 -10.362 1.00 0.00 O ATOM 1077 N1 DG B 113 -18.717 -1.987 -10.544 1.00 0.00 N ATOM 1078 C2 DG B 113 -18.093 -3.008 -11.237 1.00 0.00 C ATOM 1079 N2 DG B 113 -18.109 -4.225 -10.688 1.00 0.00 N ATOM 1080 N3 DG B 113 -17.526 -2.844 -12.440 1.00 0.00 N ATOM 1081 C4 DG B 113 -17.628 -1.576 -12.917 1.00 0.00 C ATOM 0 H5' DG B 113 -13.306 -0.779 -17.205 1.00 0.00 H new ATOM 0 H5'' DG B 113 -13.878 -1.630 -18.627 1.00 0.00 H new ATOM 0 H4' DG B 113 -14.379 -2.922 -16.702 1.00 0.00 H new ATOM 0 H3' DG B 113 -16.519 -2.121 -18.493 1.00 0.00 H new ATOM 0 H2' DG B 113 -17.709 -0.939 -16.755 1.00 0.00 H new ATOM 0 H2'' DG B 113 -18.258 -2.572 -16.430 1.00 0.00 H new ATOM 0 H1' DG B 113 -16.495 -2.943 -14.749 1.00 0.00 H new ATOM 0 H8 DG B 113 -17.367 0.823 -15.047 1.00 0.00 H new ATOM 0 H1 DG B 113 -19.115 -2.202 -9.630 1.00 0.00 H new ATOM 0 H21 DG B 113 -17.660 -5.006 -11.166 1.00 0.00 H new ATOM 0 H22 DG B 113 -18.570 -4.373 -9.790 1.00 0.00 H new ATOM 1093 P DC B 114 -17.614 -4.712 -18.211 1.00 0.00 P ATOM 1094 OP1 DC B 114 -17.093 -5.967 -18.801 1.00 0.00 O ATOM 1095 OP2 DC B 114 -18.402 -3.780 -19.048 1.00 0.00 O ATOM 1096 O5' DC B 114 -18.502 -5.093 -16.919 1.00 0.00 O ATOM 1097 C5' DC B 114 -18.165 -6.185 -16.084 1.00 0.00 C ATOM 1098 C4' DC B 114 -19.143 -6.284 -14.908 1.00 0.00 C ATOM 1099 O4' DC B 114 -19.045 -5.154 -14.068 1.00 0.00 O ATOM 1100 C3' DC B 114 -20.611 -6.342 -15.327 1.00 0.00 C ATOM 1101 O3' DC B 114 -20.999 -7.638 -15.732 1.00 0.00 O ATOM 1102 C2' DC B 114 -21.295 -5.931 -14.031 1.00 0.00 C ATOM 1103 C1' DC B 114 -20.270 -5.006 -13.364 1.00 0.00 C ATOM 1104 N1 DC B 114 -20.706 -3.583 -13.410 1.00 0.00 N ATOM 1105 C2 DC B 114 -21.275 -3.011 -12.268 1.00 0.00 C ATOM 1106 O2 DC B 114 -21.467 -3.676 -11.253 1.00 0.00 O ATOM 1107 N3 DC B 114 -21.577 -1.682 -12.291 1.00 0.00 N ATOM 1108 C4 DC B 114 -21.363 -0.935 -13.385 1.00 0.00 C ATOM 1109 N4 DC B 114 -21.637 0.371 -13.333 1.00 0.00 N ATOM 1110 C5 DC B 114 -20.837 -1.516 -14.589 1.00 0.00 C ATOM 1111 C6 DC B 114 -20.533 -2.835 -14.550 1.00 0.00 C ATOM 0 H5' DC B 114 -17.148 -6.064 -15.710 1.00 0.00 H new ATOM 0 H5'' DC B 114 -18.185 -7.110 -16.660 1.00 0.00 H new ATOM 0 H4' DC B 114 -18.859 -7.210 -14.408 1.00 0.00 H new ATOM 0 H3' DC B 114 -20.854 -5.717 -16.187 1.00 0.00 H new ATOM 0 H2' DC B 114 -22.237 -5.416 -14.220 1.00 0.00 H new ATOM 0 H2'' DC B 114 -21.523 -6.794 -13.406 1.00 0.00 H new ATOM 0 HO3' DC B 114 -21.944 -7.631 -15.990 1.00 0.00 H new ATOM 0 H1' DC B 114 -20.162 -5.277 -12.314 1.00 0.00 H new ATOM 0 H41 DC B 114 -21.482 0.958 -14.153 1.00 0.00 H new ATOM 0 H42 DC B 114 -22.001 0.782 -12.473 1.00 0.00 H new ATOM 0 H5 DC B 114 -20.691 -0.928 -15.483 1.00 0.00 H new ATOM 0 H6 DC B 114 -20.144 -3.312 -15.438 1.00 0.00 H new TER 1124 DC B 114