USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 169 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 313 MET CE :methyl -161:sc=-0.00848 (180deg=-0.527) USER MOD Single : A 321 TYR OH : rot 165:sc= 0 USER MOD Single : A 322 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 308 4.652 -11.196 12.592 1.00 0.00 N ATOM 2 CA LYS A 308 5.546 -11.271 11.397 1.00 0.00 C ATOM 3 C LYS A 308 4.744 -11.717 10.166 1.00 0.00 C ATOM 4 O LYS A 308 4.803 -12.860 9.754 1.00 0.00 O ATOM 5 CB LYS A 308 6.613 -12.313 11.757 1.00 0.00 C ATOM 6 CG LYS A 308 7.753 -11.642 12.530 1.00 0.00 C ATOM 7 CD LYS A 308 8.466 -12.681 13.401 1.00 0.00 C ATOM 8 CE LYS A 308 9.596 -13.339 12.599 1.00 0.00 C ATOM 9 NZ LYS A 308 9.913 -14.599 13.331 1.00 0.00 N ATOM 0 HA LYS A 308 5.992 -10.307 11.153 1.00 0.00 H new ATOM 0 HB2 LYS A 308 6.171 -13.107 12.359 1.00 0.00 H new ATOM 0 HB3 LYS A 308 7.000 -12.779 10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 308 8.460 -11.189 11.835 1.00 0.00 H new ATOM 0 HG3 LYS A 308 7.360 -10.839 13.153 1.00 0.00 H new ATOM 0 HD2 LYS A 308 8.870 -12.205 14.294 1.00 0.00 H new ATOM 0 HD3 LYS A 308 7.756 -13.438 13.736 1.00 0.00 H new ATOM 0 HE2 LYS A 308 9.283 -13.546 11.576 1.00 0.00 H new ATOM 0 HE3 LYS A 308 10.468 -12.688 12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 308 10.679 -15.103 12.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 308 10.215 -14.371 14.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 308 9.067 -15.203 13.365 1.00 0.00 H new ATOM 22 N PHE A 309 3.994 -10.816 9.578 1.00 0.00 N ATOM 23 CA PHE A 309 3.182 -11.173 8.374 1.00 0.00 C ATOM 24 C PHE A 309 2.824 -9.908 7.580 1.00 0.00 C ATOM 25 O PHE A 309 2.939 -8.806 8.085 1.00 0.00 O ATOM 26 CB PHE A 309 1.914 -11.855 8.918 1.00 0.00 C ATOM 27 CG PHE A 309 1.209 -10.953 9.910 1.00 0.00 C ATOM 28 CD1 PHE A 309 0.356 -9.938 9.457 1.00 0.00 C ATOM 29 CD2 PHE A 309 1.406 -11.138 11.285 1.00 0.00 C ATOM 30 CE1 PHE A 309 -0.297 -9.109 10.377 1.00 0.00 C ATOM 31 CE2 PHE A 309 0.752 -10.308 12.205 1.00 0.00 C ATOM 32 CZ PHE A 309 -0.098 -9.293 11.750 1.00 0.00 C ATOM 0 H PHE A 309 3.910 -9.846 9.882 1.00 0.00 H new ATOM 0 HA PHE A 309 3.726 -11.829 7.695 1.00 0.00 H new ATOM 0 HB2 PHE A 309 1.242 -12.095 8.094 1.00 0.00 H new ATOM 0 HB3 PHE A 309 2.178 -12.797 9.398 1.00 0.00 H new ATOM 0 HD1 PHE A 309 0.202 -9.795 8.398 1.00 0.00 H new ATOM 0 HD2 PHE A 309 2.062 -11.921 11.636 1.00 0.00 H new ATOM 0 HE1 PHE A 309 -0.955 -8.327 10.027 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.904 -10.451 13.265 1.00 0.00 H new ATOM 0 HZ PHE A 309 -0.600 -8.652 12.459 1.00 0.00 H new ATOM 42 N PRO A 310 2.397 -10.110 6.356 1.00 0.00 N ATOM 43 CA PRO A 310 2.011 -8.969 5.480 1.00 0.00 C ATOM 44 C PRO A 310 0.702 -8.333 5.970 1.00 0.00 C ATOM 45 O PRO A 310 -0.250 -9.022 6.289 1.00 0.00 O ATOM 46 CB PRO A 310 1.831 -9.617 4.109 1.00 0.00 C ATOM 47 CG PRO A 310 1.519 -11.050 4.399 1.00 0.00 C ATOM 48 CD PRO A 310 2.232 -11.403 5.676 1.00 0.00 C ATOM 0 HA PRO A 310 2.747 -8.165 5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 310 1.024 -9.142 3.550 1.00 0.00 H new ATOM 0 HB3 PRO A 310 2.734 -9.523 3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 310 0.444 -11.198 4.503 1.00 0.00 H new ATOM 0 HG3 PRO A 310 1.851 -11.690 3.582 1.00 0.00 H new ATOM 0 HD2 PRO A 310 1.650 -12.100 6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 310 3.194 -11.877 5.479 1.00 0.00 H new ATOM 56 N ARG A 311 0.652 -7.025 6.036 1.00 0.00 N ATOM 57 CA ARG A 311 -0.592 -6.339 6.513 1.00 0.00 C ATOM 58 C ARG A 311 -0.872 -5.082 5.674 1.00 0.00 C ATOM 59 O ARG A 311 -0.966 -3.986 6.195 1.00 0.00 O ATOM 60 CB ARG A 311 -0.311 -5.972 7.980 1.00 0.00 C ATOM 61 CG ARG A 311 1.058 -5.291 8.099 1.00 0.00 C ATOM 62 CD ARG A 311 1.152 -4.550 9.436 1.00 0.00 C ATOM 63 NE ARG A 311 1.731 -3.218 9.099 1.00 0.00 N ATOM 64 CZ ARG A 311 3.025 -3.038 9.132 1.00 0.00 C ATOM 65 NH1 ARG A 311 3.615 -2.741 10.260 1.00 0.00 N ATOM 66 NH2 ARG A 311 3.728 -3.158 8.034 1.00 0.00 N ATOM 0 H ARG A 311 1.418 -6.402 5.781 1.00 0.00 H new ATOM 0 HA ARG A 311 -1.473 -6.974 6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 311 -1.090 -5.307 8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 311 -0.335 -6.869 8.599 1.00 0.00 H new ATOM 0 HG2 ARG A 311 1.852 -6.034 8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 311 1.200 -4.593 7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 311 0.171 -4.448 9.900 1.00 0.00 H new ATOM 0 HD3 ARG A 311 1.785 -5.088 10.142 1.00 0.00 H new ATOM 0 HE ARG A 311 1.116 -2.446 8.842 1.00 0.00 H new ATOM 0 HH11 ARG A 311 3.065 -2.650 11.114 1.00 0.00 H new ATOM 0 HH12 ARG A 311 4.625 -2.601 10.286 1.00 0.00 H new ATOM 0 HH21 ARG A 311 3.266 -3.391 7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 311 4.738 -3.018 8.057 1.00 0.00 H new ATOM 80 N ALA A 312 -1.010 -5.240 4.374 1.00 0.00 N ATOM 81 CA ALA A 312 -1.288 -4.067 3.479 1.00 0.00 C ATOM 82 C ALA A 312 -0.187 -3.001 3.625 1.00 0.00 C ATOM 83 O ALA A 312 0.927 -3.302 4.014 1.00 0.00 O ATOM 84 CB ALA A 312 -2.647 -3.523 3.938 1.00 0.00 C ATOM 0 H ALA A 312 -0.941 -6.137 3.893 1.00 0.00 H new ATOM 0 HA ALA A 312 -1.303 -4.350 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 312 -2.919 -2.661 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 312 -3.405 -4.298 3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 312 -2.584 -3.222 4.984 1.00 0.00 H new ATOM 90 N MET A 313 -0.492 -1.761 3.309 1.00 0.00 N ATOM 91 CA MET A 313 0.529 -0.667 3.421 1.00 0.00 C ATOM 92 C MET A 313 1.793 -1.020 2.615 1.00 0.00 C ATOM 93 O MET A 313 2.875 -1.115 3.166 1.00 0.00 O ATOM 94 CB MET A 313 0.842 -0.559 4.921 1.00 0.00 C ATOM 95 CG MET A 313 0.637 0.884 5.388 1.00 0.00 C ATOM 96 SD MET A 313 -0.877 0.989 6.378 1.00 0.00 S ATOM 97 CE MET A 313 -2.056 0.906 5.008 1.00 0.00 C ATOM 0 H MET A 313 -1.408 -1.460 2.977 1.00 0.00 H new ATOM 0 HA MET A 313 0.163 0.277 3.018 1.00 0.00 H new ATOM 0 HB2 MET A 313 0.195 -1.230 5.487 1.00 0.00 H new ATOM 0 HB3 MET A 313 1.869 -0.871 5.111 1.00 0.00 H new ATOM 0 HG2 MET A 313 1.493 1.212 5.978 1.00 0.00 H new ATOM 0 HG3 MET A 313 0.569 1.550 4.528 1.00 0.00 H new ATOM 0 HE1 MET A 313 -3.023 1.285 5.337 1.00 0.00 H new ATOM 0 HE2 MET A 313 -1.692 1.511 4.178 1.00 0.00 H new ATOM 0 HE3 MET A 313 -2.164 -0.129 4.683 1.00 0.00 H new ATOM 107 N PRO A 314 1.612 -1.200 1.324 1.00 0.00 N ATOM 108 CA PRO A 314 2.750 -1.541 0.434 1.00 0.00 C ATOM 109 C PRO A 314 3.602 -0.298 0.147 1.00 0.00 C ATOM 110 O PRO A 314 3.408 0.748 0.735 1.00 0.00 O ATOM 111 CB PRO A 314 2.074 -2.042 -0.839 1.00 0.00 C ATOM 112 CG PRO A 314 0.723 -1.400 -0.846 1.00 0.00 C ATOM 113 CD PRO A 314 0.346 -1.108 0.585 1.00 0.00 C ATOM 0 HA PRO A 314 3.426 -2.276 0.870 1.00 0.00 H new ATOM 0 HB2 PRO A 314 2.646 -1.764 -1.724 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.993 -3.129 -0.840 1.00 0.00 H new ATOM 0 HG2 PRO A 314 0.739 -0.481 -1.432 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -0.011 -2.060 -1.308 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -0.101 -0.119 0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -0.384 -1.826 0.958 1.00 0.00 H new ATOM 121 N ILE A 315 4.545 -0.410 -0.752 1.00 0.00 N ATOM 122 CA ILE A 315 5.418 0.763 -1.081 1.00 0.00 C ATOM 123 C ILE A 315 4.666 1.753 -1.974 1.00 0.00 C ATOM 124 O ILE A 315 4.679 2.948 -1.742 1.00 0.00 O ATOM 125 CB ILE A 315 6.630 0.179 -1.824 1.00 0.00 C ATOM 126 CG1 ILE A 315 7.271 -0.940 -0.988 1.00 0.00 C ATOM 127 CG2 ILE A 315 7.665 1.282 -2.065 1.00 0.00 C ATOM 128 CD1 ILE A 315 7.528 -0.445 0.439 1.00 0.00 C ATOM 0 H ILE A 315 4.751 -1.262 -1.274 1.00 0.00 H new ATOM 0 HA ILE A 315 5.719 1.308 -0.186 1.00 0.00 H new ATOM 0 HB ILE A 315 6.296 -0.229 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 315 6.616 -1.811 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 315 8.208 -1.257 -1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 315 8.524 0.866 -2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 315 7.219 2.074 -2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 315 7.990 1.692 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 315 7.982 -1.244 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 315 8.201 0.412 0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 315 6.584 -0.151 0.898 1.00 0.00 H new ATOM 140 N TRP A 316 4.017 1.258 -2.994 1.00 0.00 N ATOM 141 CA TRP A 316 3.258 2.157 -3.922 1.00 0.00 C ATOM 142 C TRP A 316 2.032 2.768 -3.223 1.00 0.00 C ATOM 143 O TRP A 316 1.608 3.859 -3.555 1.00 0.00 O ATOM 144 CB TRP A 316 2.843 1.274 -5.112 1.00 0.00 C ATOM 145 CG TRP A 316 1.901 0.191 -4.673 1.00 0.00 C ATOM 146 CD1 TRP A 316 2.272 -1.042 -4.254 1.00 0.00 C ATOM 147 CD2 TRP A 316 0.446 0.221 -4.616 1.00 0.00 C ATOM 148 NE1 TRP A 316 1.137 -1.767 -3.940 1.00 0.00 N ATOM 149 CE2 TRP A 316 -0.013 -1.032 -4.146 1.00 0.00 C ATOM 150 CE3 TRP A 316 -0.512 1.206 -4.920 1.00 0.00 C ATOM 151 CZ2 TRP A 316 -1.374 -1.299 -3.985 1.00 0.00 C ATOM 152 CZ3 TRP A 316 -1.881 0.940 -4.759 1.00 0.00 C ATOM 153 CH2 TRP A 316 -2.311 -0.309 -4.292 1.00 0.00 C ATOM 0 H TRP A 316 3.978 0.266 -3.228 1.00 0.00 H new ATOM 0 HA TRP A 316 3.867 3.000 -4.248 1.00 0.00 H new ATOM 0 HB2 TRP A 316 2.367 1.888 -5.877 1.00 0.00 H new ATOM 0 HB3 TRP A 316 3.728 0.829 -5.566 1.00 0.00 H new ATOM 0 HD1 TRP A 316 3.288 -1.401 -4.178 1.00 0.00 H new ATOM 0 HE1 TRP A 316 1.148 -2.728 -3.598 1.00 0.00 H new ATOM 0 HE3 TRP A 316 -0.192 2.173 -5.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 316 -1.700 -2.264 -3.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 316 -2.607 1.703 -4.997 1.00 0.00 H new ATOM 0 HH2 TRP A 316 -3.366 -0.506 -4.169 1.00 0.00 H new ATOM 164 N ALA A 317 1.471 2.085 -2.256 1.00 0.00 N ATOM 165 CA ALA A 317 0.284 2.639 -1.531 1.00 0.00 C ATOM 166 C ALA A 317 0.697 3.047 -0.110 1.00 0.00 C ATOM 167 O ALA A 317 0.399 2.370 0.859 1.00 0.00 O ATOM 168 CB ALA A 317 -0.743 1.503 -1.507 1.00 0.00 C ATOM 0 H ALA A 317 1.783 1.168 -1.937 1.00 0.00 H new ATOM 0 HA ALA A 317 -0.127 3.527 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -1.643 1.837 -0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.996 1.220 -2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.322 0.643 -0.985 1.00 0.00 H new ATOM 174 N ARG A 318 1.396 4.149 0.014 1.00 0.00 N ATOM 175 CA ARG A 318 1.849 4.612 1.358 1.00 0.00 C ATOM 176 C ARG A 318 1.502 6.092 1.568 1.00 0.00 C ATOM 177 O ARG A 318 1.694 6.903 0.680 1.00 0.00 O ATOM 178 CB ARG A 318 3.369 4.427 1.343 1.00 0.00 C ATOM 179 CG ARG A 318 3.765 3.302 2.299 1.00 0.00 C ATOM 180 CD ARG A 318 5.194 2.853 1.984 1.00 0.00 C ATOM 181 NE ARG A 318 5.402 1.627 2.805 1.00 0.00 N ATOM 182 CZ ARG A 318 6.162 1.673 3.864 1.00 0.00 C ATOM 183 NH1 ARG A 318 5.703 2.193 4.974 1.00 0.00 N ATOM 184 NH2 ARG A 318 7.382 1.203 3.814 1.00 0.00 N ATOM 0 H ARG A 318 1.672 4.749 -0.763 1.00 0.00 H new ATOM 0 HA ARG A 318 1.367 4.057 2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 318 3.706 4.193 0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 318 3.860 5.355 1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 318 3.698 3.646 3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 318 3.077 2.463 2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 318 5.316 2.642 0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 318 5.917 3.627 2.241 1.00 0.00 H new ATOM 0 HE ARG A 318 4.950 0.752 2.539 1.00 0.00 H new ATOM 0 HH11 ARG A 318 4.752 2.561 5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 318 6.296 2.230 5.803 1.00 0.00 H new ATOM 0 HH21 ARG A 318 7.738 0.801 2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 318 7.977 1.239 4.642 1.00 0.00 H new ATOM 198 N PRO A 319 1.025 6.401 2.752 1.00 0.00 N ATOM 199 CA PRO A 319 0.676 7.807 3.092 1.00 0.00 C ATOM 200 C PRO A 319 1.956 8.637 3.244 1.00 0.00 C ATOM 201 O PRO A 319 2.043 9.756 2.778 1.00 0.00 O ATOM 202 CB PRO A 319 -0.068 7.681 4.421 1.00 0.00 C ATOM 203 CG PRO A 319 0.420 6.399 5.017 1.00 0.00 C ATOM 204 CD PRO A 319 0.768 5.485 3.872 1.00 0.00 C ATOM 0 HA PRO A 319 0.077 8.307 2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 319 0.145 8.527 5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -1.147 7.660 4.269 1.00 0.00 H new ATOM 0 HG2 PRO A 319 1.291 6.574 5.649 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -0.347 5.951 5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 319 1.643 4.876 4.099 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -0.048 4.798 3.647 1.00 0.00 H new ATOM 212 N ASP A 320 2.954 8.074 3.874 1.00 0.00 N ATOM 213 CA ASP A 320 4.256 8.787 4.051 1.00 0.00 C ATOM 214 C ASP A 320 5.304 8.151 3.127 1.00 0.00 C ATOM 215 O ASP A 320 6.444 7.946 3.505 1.00 0.00 O ATOM 216 CB ASP A 320 4.629 8.586 5.526 1.00 0.00 C ATOM 217 CG ASP A 320 3.617 9.308 6.420 1.00 0.00 C ATOM 218 OD1 ASP A 320 3.819 10.482 6.685 1.00 0.00 O ATOM 219 OD2 ASP A 320 2.657 8.673 6.826 1.00 0.00 O ATOM 0 H ASP A 320 2.922 7.138 4.279 1.00 0.00 H new ATOM 0 HA ASP A 320 4.199 9.847 3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 320 4.645 7.523 5.765 1.00 0.00 H new ATOM 0 HB3 ASP A 320 5.632 8.970 5.713 1.00 0.00 H new ATOM 224 N TYR A 321 4.910 7.820 1.919 1.00 0.00 N ATOM 225 CA TYR A 321 5.852 7.177 0.954 1.00 0.00 C ATOM 226 C TYR A 321 7.048 8.086 0.665 1.00 0.00 C ATOM 227 O TYR A 321 6.896 9.250 0.342 1.00 0.00 O ATOM 228 CB TYR A 321 5.029 6.960 -0.322 1.00 0.00 C ATOM 229 CG TYR A 321 5.861 6.236 -1.360 1.00 0.00 C ATOM 230 CD1 TYR A 321 6.766 5.240 -0.970 1.00 0.00 C ATOM 231 CD2 TYR A 321 5.725 6.564 -2.714 1.00 0.00 C ATOM 232 CE1 TYR A 321 7.532 4.574 -1.932 1.00 0.00 C ATOM 233 CE2 TYR A 321 6.491 5.898 -3.676 1.00 0.00 C ATOM 234 CZ TYR A 321 7.395 4.903 -3.285 1.00 0.00 C ATOM 235 OH TYR A 321 8.147 4.244 -4.234 1.00 0.00 O ATOM 0 H TYR A 321 3.967 7.970 1.560 1.00 0.00 H new ATOM 0 HA TYR A 321 6.258 6.246 1.349 1.00 0.00 H new ATOM 0 HB2 TYR A 321 4.134 6.381 -0.093 1.00 0.00 H new ATOM 0 HB3 TYR A 321 4.695 7.920 -0.717 1.00 0.00 H new ATOM 0 HD1 TYR A 321 6.872 4.986 0.074 1.00 0.00 H new ATOM 0 HD2 TYR A 321 5.028 7.332 -3.016 1.00 0.00 H new ATOM 0 HE1 TYR A 321 8.229 3.806 -1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 321 6.385 6.151 -4.721 1.00 0.00 H new ATOM 0 HH TYR A 321 7.771 4.411 -5.123 1.00 0.00 H new ATOM 245 N ASN A 322 8.235 7.549 0.765 1.00 0.00 N ATOM 246 CA ASN A 322 9.459 8.358 0.483 1.00 0.00 C ATOM 247 C ASN A 322 9.620 8.529 -1.033 1.00 0.00 C ATOM 248 O ASN A 322 9.117 7.726 -1.797 1.00 0.00 O ATOM 249 CB ASN A 322 10.626 7.546 1.058 1.00 0.00 C ATOM 250 CG ASN A 322 10.481 7.435 2.578 1.00 0.00 C ATOM 251 OD1 ASN A 322 10.701 8.393 3.291 1.00 0.00 O ATOM 252 ND2 ASN A 322 10.120 6.298 3.108 1.00 0.00 N ATOM 0 H ASN A 322 8.411 6.580 1.031 1.00 0.00 H new ATOM 0 HA ASN A 322 9.411 9.354 0.924 1.00 0.00 H new ATOM 0 HB2 ASN A 322 10.644 6.552 0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 322 11.573 8.025 0.808 1.00 0.00 H new ATOM 0 HD21 ASN A 322 10.023 6.215 4.120 1.00 0.00 H new ATOM 0 HD22 ASN A 322 9.935 5.493 2.510 1.00 0.00 H new ATOM 259 N PRO A 323 10.318 9.569 -1.421 1.00 0.00 N ATOM 260 CA PRO A 323 10.541 9.841 -2.865 1.00 0.00 C ATOM 261 C PRO A 323 11.514 8.811 -3.463 1.00 0.00 C ATOM 262 O PRO A 323 12.671 8.766 -3.087 1.00 0.00 O ATOM 263 CB PRO A 323 11.147 11.244 -2.875 1.00 0.00 C ATOM 264 CG PRO A 323 11.771 11.404 -1.527 1.00 0.00 C ATOM 265 CD PRO A 323 10.956 10.580 -0.565 1.00 0.00 C ATOM 0 HA PRO A 323 9.631 9.773 -3.461 1.00 0.00 H new ATOM 0 HB2 PRO A 323 11.888 11.349 -3.668 1.00 0.00 H new ATOM 0 HB3 PRO A 323 10.384 12.003 -3.049 1.00 0.00 H new ATOM 0 HG2 PRO A 323 12.808 11.069 -1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 323 11.778 12.452 -1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 323 11.583 10.119 0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 323 10.216 11.188 -0.045 1.00 0.00 H new ATOM 273 N PRO A 324 11.008 8.010 -4.376 1.00 0.00 N ATOM 274 CA PRO A 324 11.847 6.970 -5.028 1.00 0.00 C ATOM 275 C PRO A 324 12.806 7.602 -6.047 1.00 0.00 C ATOM 276 O PRO A 324 12.932 8.811 -6.133 1.00 0.00 O ATOM 277 CB PRO A 324 10.828 6.073 -5.726 1.00 0.00 C ATOM 278 CG PRO A 324 9.631 6.940 -5.955 1.00 0.00 C ATOM 279 CD PRO A 324 9.626 7.996 -4.878 1.00 0.00 C ATOM 0 HA PRO A 324 12.476 6.428 -4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 324 11.221 5.689 -6.667 1.00 0.00 H new ATOM 0 HB3 PRO A 324 10.576 5.210 -5.110 1.00 0.00 H new ATOM 0 HG2 PRO A 324 9.673 7.399 -6.943 1.00 0.00 H new ATOM 0 HG3 PRO A 324 8.716 6.349 -5.917 1.00 0.00 H new ATOM 0 HD2 PRO A 324 9.338 8.969 -5.276 1.00 0.00 H new ATOM 0 HD3 PRO A 324 8.918 7.753 -4.086 1.00 0.00 H new ATOM 287 N LEU A 325 13.484 6.788 -6.819 1.00 0.00 N ATOM 288 CA LEU A 325 14.438 7.327 -7.836 1.00 0.00 C ATOM 289 C LEU A 325 14.531 6.373 -9.038 1.00 0.00 C ATOM 290 O LEU A 325 15.607 6.080 -9.528 1.00 0.00 O ATOM 291 CB LEU A 325 15.782 7.419 -7.106 1.00 0.00 C ATOM 292 CG LEU A 325 16.562 8.637 -7.611 1.00 0.00 C ATOM 293 CD1 LEU A 325 16.694 9.665 -6.484 1.00 0.00 C ATOM 294 CD2 LEU A 325 17.956 8.196 -8.064 1.00 0.00 C ATOM 0 H LEU A 325 13.417 5.771 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 325 14.124 8.294 -8.229 1.00 0.00 H new ATOM 0 HB2 LEU A 325 15.618 7.500 -6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 325 16.360 6.510 -7.273 1.00 0.00 H new ATOM 0 HG LEU A 325 16.030 9.086 -8.450 1.00 0.00 H new ATOM 0 HD11 LEU A 325 17.249 10.531 -6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 325 15.702 9.979 -6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 325 17.225 9.218 -5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 325 18.512 9.062 -8.424 1.00 0.00 H new ATOM 0 HD22 LEU A 325 18.486 7.747 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 325 17.863 7.465 -8.867 1.00 0.00 H new ATOM 306 N LEU A 326 13.411 5.885 -9.514 1.00 0.00 N ATOM 307 CA LEU A 326 13.430 4.949 -10.681 1.00 0.00 C ATOM 308 C LEU A 326 12.094 5.004 -11.431 1.00 0.00 C ATOM 309 O LEU A 326 11.035 5.036 -10.830 1.00 0.00 O ATOM 310 CB LEU A 326 13.648 3.560 -10.075 1.00 0.00 C ATOM 311 CG LEU A 326 14.116 2.590 -11.163 1.00 0.00 C ATOM 312 CD1 LEU A 326 15.622 2.755 -11.387 1.00 0.00 C ATOM 313 CD2 LEU A 326 13.822 1.153 -10.726 1.00 0.00 C ATOM 0 H LEU A 326 12.484 6.095 -9.144 1.00 0.00 H new ATOM 0 HA LEU A 326 14.207 5.206 -11.400 1.00 0.00 H new ATOM 0 HB2 LEU A 326 14.390 3.613 -9.278 1.00 0.00 H new ATOM 0 HB3 LEU A 326 12.723 3.199 -9.626 1.00 0.00 H new ATOM 0 HG LEU A 326 13.586 2.806 -12.091 1.00 0.00 H new ATOM 0 HD11 LEU A 326 15.953 2.063 -12.162 1.00 0.00 H new ATOM 0 HD12 LEU A 326 15.834 3.778 -11.699 1.00 0.00 H new ATOM 0 HD13 LEU A 326 16.153 2.542 -10.460 1.00 0.00 H new ATOM 0 HD21 LEU A 326 14.155 0.462 -11.500 1.00 0.00 H new ATOM 0 HD22 LEU A 326 14.351 0.940 -9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 326 12.750 1.033 -10.569 1.00 0.00 H new ATOM 325 N GLU A 327 12.139 5.009 -12.740 1.00 0.00 N ATOM 326 CA GLU A 327 10.877 5.057 -13.542 1.00 0.00 C ATOM 327 C GLU A 327 10.555 3.668 -14.114 1.00 0.00 C ATOM 328 O GLU A 327 11.469 3.013 -14.592 1.00 0.00 O ATOM 329 CB GLU A 327 11.158 6.057 -14.670 1.00 0.00 C ATOM 330 CG GLU A 327 11.168 7.483 -14.104 1.00 0.00 C ATOM 331 CD GLU A 327 12.139 8.353 -14.909 1.00 0.00 C ATOM 332 OE1 GLU A 327 13.331 8.262 -14.661 1.00 0.00 O ATOM 333 OE2 GLU A 327 11.673 9.098 -15.756 1.00 0.00 O ATOM 334 OXT GLU A 327 9.398 3.283 -14.060 1.00 0.00 O ATOM 0 H GLU A 327 12.998 4.982 -13.290 1.00 0.00 H new ATOM 0 HA GLU A 327 10.018 5.356 -12.941 1.00 0.00 H new ATOM 0 HB2 GLU A 327 12.117 5.834 -15.137 1.00 0.00 H new ATOM 0 HB3 GLU A 327 10.398 5.968 -15.446 1.00 0.00 H new ATOM 0 HG2 GLU A 327 10.165 7.908 -14.145 1.00 0.00 H new ATOM 0 HG3 GLU A 327 11.464 7.466 -13.055 1.00 0.00 H new TER 341 GLU A 327