USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 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 155 CYS SG : rot -150:sc= -0.073 USER MOD Set 1.2: A 191 SER OG : rot -125:sc= 1.71 USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -179:sc= -10.6! (180deg=-10.7!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 LYS NZ :NH3+ 141:sc= -1.06 (180deg=-2.73!) USER MOD Single : A 162 SER OG : rot 16:sc= -0.905 USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 167 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.03) USER MOD Single : A 169 HIS : no HD1:sc= -3.97! K(o=-4!,f=-4.9) USER MOD Single : A 170 SER OG : rot 100:sc= 0.0993 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.282) USER MOD Single : A 177 GLN : amide:sc= -1.98 K(o=-2,f=-6!) USER MOD Single : A 181 SER OG : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot -130:sc= -1.31 USER MOD Single : A 196 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 203 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.58) USER MOD Single : A 206 CYS SG : rot 180:sc= -0.336 USER MOD Single : A 207 MET CE :methyl -163:sc= -0.277 (180deg=-0.963) USER MOD Single : A 210 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.257) USER MOD Single : A 211 GLN : amide:sc= -0.544 X(o=-0.54,f=-0.11) USER MOD Single : A 212 HIS : no HD1:sc= -1.83! X(o=-1.8!,f=-2.1) USER MOD Single : A 217 SER OG : rot 87:sc= 1.31 USER MOD Single : A 226 THR OG1 : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N ARG A 151 12.725 -2.066 3.589 1.00 0.00 N ATOM 126 CA ARG A 151 11.980 -1.505 4.717 1.00 0.00 C ATOM 127 C ARG A 151 10.576 -1.053 4.297 1.00 0.00 C ATOM 128 O ARG A 151 10.412 -0.354 3.298 1.00 0.00 O ATOM 129 CB ARG A 151 12.755 -0.344 5.358 1.00 0.00 C ATOM 130 CG ARG A 151 12.636 0.984 4.622 1.00 0.00 C ATOM 131 CD ARG A 151 13.041 2.146 5.516 1.00 0.00 C ATOM 132 NE ARG A 151 11.886 2.897 6.000 1.00 0.00 N ATOM 133 CZ ARG A 151 11.092 3.624 5.217 1.00 0.00 C ATOM 134 NH1 ARG A 151 11.303 3.673 3.907 1.00 0.00 N ATOM 135 NH2 ARG A 151 10.080 4.298 5.744 1.00 0.00 N ATOM 0 HA ARG A 151 11.864 -2.295 5.459 1.00 0.00 H new ATOM 0 HB2 ARG A 151 12.402 -0.210 6.380 1.00 0.00 H new ATOM 0 HB3 ARG A 151 13.808 -0.618 5.418 1.00 0.00 H new ATOM 0 HG2 ARG A 151 13.267 0.968 3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 151 11.610 1.124 4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 151 13.609 1.768 6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 151 13.702 2.814 4.964 1.00 0.00 H new ATOM 0 HE ARG A 151 11.675 2.862 6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 151 12.077 3.152 3.495 1.00 0.00 H new ATOM 0 HH12 ARG A 151 10.691 4.232 3.312 1.00 0.00 H new ATOM 0 HH21 ARG A 151 9.910 4.260 6.749 1.00 0.00 H new ATOM 0 HH22 ARG A 151 9.471 4.855 5.145 1.00 0.00 H new ATOM 149 N PRO A 152 9.540 -1.462 5.055 1.00 0.00 N ATOM 150 CA PRO A 152 8.151 -1.108 4.757 1.00 0.00 C ATOM 151 C PRO A 152 7.786 0.298 5.225 1.00 0.00 C ATOM 152 O PRO A 152 8.615 1.012 5.789 1.00 0.00 O ATOM 153 CB PRO A 152 7.359 -2.151 5.541 1.00 0.00 C ATOM 154 CG PRO A 152 8.214 -2.452 6.723 1.00 0.00 C ATOM 155 CD PRO A 152 9.641 -2.313 6.260 1.00 0.00 C ATOM 0 HA PRO A 152 7.951 -1.104 3.685 1.00 0.00 H new ATOM 0 HB2 PRO A 152 6.385 -1.766 5.843 1.00 0.00 H new ATOM 0 HB3 PRO A 152 7.178 -3.044 4.943 1.00 0.00 H new ATOM 0 HG2 PRO A 152 8.002 -1.764 7.541 1.00 0.00 H new ATOM 0 HG3 PRO A 152 8.022 -3.458 7.095 1.00 0.00 H new ATOM 0 HD2 PRO A 152 10.266 -1.852 7.024 1.00 0.00 H new ATOM 0 HD3 PRO A 152 10.083 -3.282 6.029 1.00 0.00 H new ATOM 163 N ARG A 153 6.536 0.684 4.987 1.00 0.00 N ATOM 164 CA ARG A 153 6.049 1.999 5.385 1.00 0.00 C ATOM 165 C ARG A 153 4.647 1.899 5.978 1.00 0.00 C ATOM 166 O ARG A 153 3.817 1.122 5.505 1.00 0.00 O ATOM 167 CB ARG A 153 6.037 2.949 4.186 1.00 0.00 C ATOM 168 CG ARG A 153 7.403 3.526 3.853 1.00 0.00 C ATOM 169 CD ARG A 153 7.286 4.793 3.019 1.00 0.00 C ATOM 170 NE ARG A 153 8.218 4.796 1.894 1.00 0.00 N ATOM 171 CZ ARG A 153 8.007 4.144 0.753 1.00 0.00 C ATOM 172 NH1 ARG A 153 6.901 3.430 0.584 1.00 0.00 N ATOM 173 NH2 ARG A 153 8.905 4.204 -0.220 1.00 0.00 N ATOM 0 H ARG A 153 5.841 0.102 4.519 1.00 0.00 H new ATOM 0 HA ARG A 153 6.723 2.393 6.145 1.00 0.00 H new ATOM 0 HB2 ARG A 153 5.655 2.417 3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 153 5.346 3.767 4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 153 7.941 3.745 4.775 1.00 0.00 H new ATOM 0 HG3 ARG A 153 7.989 2.785 3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 153 6.266 4.888 2.645 1.00 0.00 H new ATOM 0 HD3 ARG A 153 7.477 5.661 3.650 1.00 0.00 H new ATOM 0 HE ARG A 153 9.082 5.330 1.989 1.00 0.00 H new ATOM 0 HH11 ARG A 153 6.208 3.379 1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 153 6.744 2.932 -0.292 1.00 0.00 H new ATOM 0 HH21 ARG A 153 9.758 4.750 -0.094 1.00 0.00 H new ATOM 0 HH22 ARG A 153 8.744 3.704 -1.095 1.00 0.00 H new ATOM 187 N LEU A 154 4.389 2.686 7.017 1.00 0.00 N ATOM 188 CA LEU A 154 3.086 2.681 7.672 1.00 0.00 C ATOM 189 C LEU A 154 2.230 3.849 7.193 1.00 0.00 C ATOM 190 O LEU A 154 2.686 4.992 7.157 1.00 0.00 O ATOM 191 CB LEU A 154 3.255 2.747 9.191 1.00 0.00 C ATOM 192 CG LEU A 154 1.950 2.758 9.989 1.00 0.00 C ATOM 193 CD1 LEU A 154 1.279 1.395 9.936 1.00 0.00 C ATOM 194 CD2 LEU A 154 2.212 3.170 11.430 1.00 0.00 C ATOM 0 H LEU A 154 5.064 3.334 7.423 1.00 0.00 H new ATOM 0 HA LEU A 154 2.580 1.752 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.852 1.893 9.512 1.00 0.00 H new ATOM 0 HB3 LEU A 154 3.822 3.644 9.439 1.00 0.00 H new ATOM 0 HG LEU A 154 1.277 3.488 9.539 1.00 0.00 H new ATOM 0 HD11 LEU A 154 0.352 1.423 10.509 1.00 0.00 H new ATOM 0 HD12 LEU A 154 1.057 1.139 8.900 1.00 0.00 H new ATOM 0 HD13 LEU A 154 1.946 0.644 10.360 1.00 0.00 H new ATOM 0 HD21 LEU A 154 1.273 3.173 11.984 1.00 0.00 H new ATOM 0 HD22 LEU A 154 2.903 2.464 11.890 1.00 0.00 H new ATOM 0 HD23 LEU A 154 2.648 4.169 11.449 1.00 0.00 H new ATOM 206 N CYS A 155 0.988 3.554 6.825 1.00 0.00 N ATOM 207 CA CYS A 155 0.069 4.579 6.347 1.00 0.00 C ATOM 208 C CYS A 155 -1.269 4.498 7.076 1.00 0.00 C ATOM 209 O CYS A 155 -1.795 3.410 7.311 1.00 0.00 O ATOM 210 CB CYS A 155 -0.149 4.434 4.840 1.00 0.00 C ATOM 211 SG CYS A 155 -1.250 5.679 4.129 1.00 0.00 S ATOM 0 H CYS A 155 0.595 2.613 6.849 1.00 0.00 H new ATOM 0 HA CYS A 155 0.514 5.553 6.552 1.00 0.00 H new ATOM 0 HB2 CYS A 155 0.817 4.489 4.337 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -0.558 3.444 4.637 1.00 0.00 H new ATOM 0 HG CYS A 155 -1.869 5.175 3.103 1.00 0.00 H new ATOM 217 N THR A 156 -1.816 5.658 7.428 1.00 0.00 N ATOM 218 CA THR A 156 -3.095 5.723 8.125 1.00 0.00 C ATOM 219 C THR A 156 -4.017 6.736 7.455 1.00 0.00 C ATOM 220 O THR A 156 -3.839 7.944 7.604 1.00 0.00 O ATOM 221 CB THR A 156 -2.886 6.101 9.592 1.00 0.00 C ATOM 222 OG1 THR A 156 -1.747 5.446 10.121 1.00 0.00 O ATOM 223 CG2 THR A 156 -4.067 5.752 10.473 1.00 0.00 C ATOM 0 H THR A 156 -1.392 6.567 7.241 1.00 0.00 H new ATOM 0 HA THR A 156 -3.560 4.738 8.077 1.00 0.00 H new ATOM 0 HB THR A 156 -2.757 7.183 9.597 1.00 0.00 H new ATOM 0 HG1 THR A 156 -1.629 5.702 11.060 1.00 0.00 H new ATOM 0 HG21 THR A 156 -3.854 6.046 11.501 1.00 0.00 H new ATOM 0 HG22 THR A 156 -4.953 6.281 10.120 1.00 0.00 H new ATOM 0 HG23 THR A 156 -4.246 4.678 10.433 1.00 0.00 H new ATOM 231 N MET A 157 -4.998 6.236 6.712 1.00 0.00 N ATOM 232 CA MET A 157 -5.942 7.102 6.014 1.00 0.00 C ATOM 233 C MET A 157 -7.371 6.850 6.481 1.00 0.00 C ATOM 234 O MET A 157 -7.769 5.708 6.709 1.00 0.00 O ATOM 235 CB MET A 157 -5.843 6.888 4.501 1.00 0.00 C ATOM 236 CG MET A 157 -5.665 5.433 4.099 1.00 0.00 C ATOM 237 SD MET A 157 -5.232 5.242 2.361 1.00 0.00 S ATOM 238 CE MET A 157 -6.492 6.251 1.586 1.00 0.00 C ATOM 0 H MET A 157 -5.160 5.238 6.577 1.00 0.00 H new ATOM 0 HA MET A 157 -5.683 8.135 6.248 1.00 0.00 H new ATOM 0 HB2 MET A 157 -6.744 7.278 4.028 1.00 0.00 H new ATOM 0 HB3 MET A 157 -5.004 7.467 4.115 1.00 0.00 H new ATOM 0 HG2 MET A 157 -4.887 4.982 4.715 1.00 0.00 H new ATOM 0 HG3 MET A 157 -6.587 4.889 4.302 1.00 0.00 H new ATOM 0 HE1 MET A 157 -6.368 6.219 0.503 1.00 0.00 H new ATOM 0 HE2 MET A 157 -7.478 5.868 1.850 1.00 0.00 H new ATOM 0 HE3 MET A 157 -6.398 7.280 1.932 1.00 0.00 H new ATOM 248 N LYS A 158 -8.138 7.926 6.618 1.00 0.00 N ATOM 249 CA LYS A 158 -9.524 7.826 7.056 1.00 0.00 C ATOM 250 C LYS A 158 -10.473 7.818 5.861 1.00 0.00 C ATOM 251 O LYS A 158 -10.390 8.676 4.983 1.00 0.00 O ATOM 252 CB LYS A 158 -9.871 8.987 7.991 1.00 0.00 C ATOM 253 CG LYS A 158 -9.027 9.022 9.254 1.00 0.00 C ATOM 254 CD LYS A 158 -9.398 10.199 10.144 1.00 0.00 C ATOM 255 CE LYS A 158 -8.274 11.221 10.215 1.00 0.00 C ATOM 256 NZ LYS A 158 -8.708 12.478 10.884 1.00 0.00 N ATOM 0 H LYS A 158 -7.822 8.878 6.432 1.00 0.00 H new ATOM 0 HA LYS A 158 -9.641 6.887 7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -9.744 9.926 7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -10.923 8.918 8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -9.159 8.092 9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -7.972 9.086 8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -10.301 10.675 9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -9.628 9.840 11.147 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -7.429 10.795 10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -7.925 11.448 9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -7.913 13.148 10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -9.497 12.899 10.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -9.017 12.266 11.854 1.00 0.00 H new ATOM 270 N LYS A 159 -11.374 6.841 5.836 1.00 0.00 N ATOM 271 CA LYS A 159 -12.342 6.716 4.751 1.00 0.00 C ATOM 272 C LYS A 159 -13.214 7.965 4.656 1.00 0.00 C ATOM 273 O LYS A 159 -12.983 8.832 3.814 1.00 0.00 O ATOM 274 CB LYS A 159 -13.211 5.472 4.966 1.00 0.00 C ATOM 275 CG LYS A 159 -14.393 5.357 4.013 1.00 0.00 C ATOM 276 CD LYS A 159 -13.967 4.811 2.661 1.00 0.00 C ATOM 277 CE LYS A 159 -15.130 4.778 1.683 1.00 0.00 C ATOM 278 NZ LYS A 159 -15.863 6.074 1.647 1.00 0.00 N ATOM 0 H LYS A 159 -11.454 6.123 6.556 1.00 0.00 H new ATOM 0 HA LYS A 159 -11.799 6.610 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -12.587 4.585 4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -13.585 5.478 5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -15.150 4.705 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -14.853 6.336 3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -13.165 5.428 2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -13.565 3.805 2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -14.759 4.543 0.685 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -15.817 3.980 1.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -16.139 6.290 0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -16.715 6.008 2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -15.248 6.831 2.008 1.00 0.00 H new ATOM 292 N GLY A 160 -14.222 8.047 5.520 1.00 0.00 N ATOM 293 CA GLY A 160 -15.114 9.190 5.509 1.00 0.00 C ATOM 294 C GLY A 160 -15.790 9.379 4.163 1.00 0.00 C ATOM 295 O GLY A 160 -15.911 8.429 3.391 1.00 0.00 O ATOM 0 H GLY A 160 -14.436 7.343 6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -15.874 9.063 6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -14.552 10.089 5.761 1.00 0.00 H new ATOM 299 N PRO A 161 -16.243 10.604 3.850 1.00 0.00 N ATOM 300 CA PRO A 161 -16.909 10.898 2.581 1.00 0.00 C ATOM 301 C PRO A 161 -15.928 11.059 1.421 1.00 0.00 C ATOM 302 O PRO A 161 -16.334 11.317 0.288 1.00 0.00 O ATOM 303 CB PRO A 161 -17.618 12.219 2.866 1.00 0.00 C ATOM 304 CG PRO A 161 -16.755 12.895 3.875 1.00 0.00 C ATOM 305 CD PRO A 161 -16.144 11.800 4.711 1.00 0.00 C ATOM 0 HA PRO A 161 -17.573 10.090 2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -17.717 12.820 1.962 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -18.624 12.054 3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -15.982 13.490 3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -17.340 13.576 4.493 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -15.109 12.023 4.968 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -16.683 11.664 5.648 1.00 0.00 H new ATOM 313 N SER A 162 -14.635 10.915 1.706 1.00 0.00 N ATOM 314 CA SER A 162 -13.609 11.055 0.678 1.00 0.00 C ATOM 315 C SER A 162 -13.258 9.708 0.052 1.00 0.00 C ATOM 316 O SER A 162 -12.885 9.640 -1.119 1.00 0.00 O ATOM 317 CB SER A 162 -12.353 11.698 1.268 1.00 0.00 C ATOM 318 OG SER A 162 -11.985 11.076 2.487 1.00 0.00 O ATOM 0 H SER A 162 -14.275 10.702 2.637 1.00 0.00 H new ATOM 0 HA SER A 162 -14.010 11.698 -0.106 1.00 0.00 H new ATOM 0 HB2 SER A 162 -11.532 11.621 0.555 1.00 0.00 H new ATOM 0 HB3 SER A 162 -12.530 12.760 1.437 1.00 0.00 H new ATOM 0 HG SER A 162 -12.447 10.216 2.568 1.00 0.00 H new ATOM 324 N GLY A 163 -13.376 8.637 0.833 1.00 0.00 N ATOM 325 CA GLY A 163 -13.063 7.317 0.322 1.00 0.00 C ATOM 326 C GLY A 163 -11.617 6.934 0.561 1.00 0.00 C ATOM 327 O GLY A 163 -11.138 6.964 1.695 1.00 0.00 O ATOM 0 H GLY A 163 -13.681 8.661 1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 163 -13.714 6.583 0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 163 -13.273 7.285 -0.747 1.00 0.00 H new ATOM 331 N TYR A 164 -10.920 6.577 -0.511 1.00 0.00 N ATOM 332 CA TYR A 164 -9.518 6.190 -0.418 1.00 0.00 C ATOM 333 C TYR A 164 -8.625 7.272 -1.015 1.00 0.00 C ATOM 334 O TYR A 164 -7.717 7.781 -0.354 1.00 0.00 O ATOM 335 CB TYR A 164 -9.286 4.860 -1.138 1.00 0.00 C ATOM 336 CG TYR A 164 -10.383 3.842 -0.911 1.00 0.00 C ATOM 337 CD1 TYR A 164 -11.018 3.737 0.321 1.00 0.00 C ATOM 338 CD2 TYR A 164 -10.783 2.985 -1.929 1.00 0.00 C ATOM 339 CE1 TYR A 164 -12.019 2.807 0.532 1.00 0.00 C ATOM 340 CE2 TYR A 164 -11.783 2.054 -1.726 1.00 0.00 C ATOM 341 CZ TYR A 164 -12.398 1.969 -0.495 1.00 0.00 C ATOM 342 OH TYR A 164 -13.394 1.042 -0.289 1.00 0.00 O ATOM 0 H TYR A 164 -11.303 6.548 -1.456 1.00 0.00 H new ATOM 0 HA TYR A 164 -9.263 6.070 0.635 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -9.194 5.048 -2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -8.338 4.438 -0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -10.724 4.393 1.127 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -10.304 3.048 -2.895 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -12.501 2.737 1.496 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -12.082 1.395 -2.528 1.00 0.00 H new ATOM 0 HH TYR A 164 -13.541 0.532 -1.113 1.00 0.00 H new ATOM 352 N GLY A 165 -8.898 7.627 -2.265 1.00 0.00 N ATOM 353 CA GLY A 165 -8.121 8.656 -2.930 1.00 0.00 C ATOM 354 C GLY A 165 -7.026 8.103 -3.825 1.00 0.00 C ATOM 355 O GLY A 165 -6.352 8.863 -4.516 1.00 0.00 O ATOM 0 H GLY A 165 -9.644 7.221 -2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -8.789 9.276 -3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -7.672 9.305 -2.178 1.00 0.00 H new ATOM 359 N PHE A 166 -6.837 6.786 -3.819 1.00 0.00 N ATOM 360 CA PHE A 166 -5.802 6.175 -4.648 1.00 0.00 C ATOM 361 C PHE A 166 -6.354 5.032 -5.489 1.00 0.00 C ATOM 362 O PHE A 166 -7.530 4.679 -5.395 1.00 0.00 O ATOM 363 CB PHE A 166 -4.645 5.667 -3.787 1.00 0.00 C ATOM 364 CG PHE A 166 -5.036 4.584 -2.821 1.00 0.00 C ATOM 365 CD1 PHE A 166 -5.611 4.900 -1.602 1.00 0.00 C ATOM 366 CD2 PHE A 166 -4.826 3.251 -3.133 1.00 0.00 C ATOM 367 CE1 PHE A 166 -5.969 3.906 -0.711 1.00 0.00 C ATOM 368 CE2 PHE A 166 -5.181 2.252 -2.246 1.00 0.00 C ATOM 369 CZ PHE A 166 -5.754 2.581 -1.033 1.00 0.00 C ATOM 0 H PHE A 166 -7.379 6.129 -3.258 1.00 0.00 H new ATOM 0 HA PHE A 166 -5.435 6.949 -5.322 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -3.857 5.291 -4.440 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -4.225 6.504 -3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.782 5.935 -1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -4.379 2.989 -4.081 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.417 4.166 0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -5.011 1.216 -2.501 1.00 0.00 H new ATOM 0 HZ PHE A 166 -6.033 1.803 -0.338 1.00 0.00 H new ATOM 379 N ASN A 167 -5.482 4.460 -6.310 1.00 0.00 N ATOM 380 CA ASN A 167 -5.844 3.351 -7.185 1.00 0.00 C ATOM 381 C ASN A 167 -4.904 2.171 -6.956 1.00 0.00 C ATOM 382 O ASN A 167 -3.854 2.320 -6.332 1.00 0.00 O ATOM 383 CB ASN A 167 -5.786 3.793 -8.651 1.00 0.00 C ATOM 384 CG ASN A 167 -6.913 4.734 -9.061 1.00 0.00 C ATOM 385 OD1 ASN A 167 -6.897 5.279 -10.165 1.00 0.00 O ATOM 386 ND2 ASN A 167 -7.896 4.936 -8.189 1.00 0.00 N ATOM 0 H ASN A 167 -4.507 4.750 -6.388 1.00 0.00 H new ATOM 0 HA ASN A 167 -6.862 3.040 -6.952 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -4.831 4.286 -8.834 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -5.815 2.909 -9.288 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -8.668 5.559 -8.426 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -7.878 4.468 -7.283 1.00 0.00 H new ATOM 393 N LEU A 168 -5.286 0.996 -7.450 1.00 0.00 N ATOM 394 CA LEU A 168 -4.469 -0.200 -7.275 1.00 0.00 C ATOM 395 C LEU A 168 -4.315 -0.984 -8.578 1.00 0.00 C ATOM 396 O LEU A 168 -5.226 -1.025 -9.405 1.00 0.00 O ATOM 397 CB LEU A 168 -5.091 -1.111 -6.212 1.00 0.00 C ATOM 398 CG LEU A 168 -5.208 -0.507 -4.811 1.00 0.00 C ATOM 399 CD1 LEU A 168 -3.858 0.003 -4.334 1.00 0.00 C ATOM 400 CD2 LEU A 168 -6.245 0.609 -4.794 1.00 0.00 C ATOM 0 H LEU A 168 -6.150 0.847 -7.971 1.00 0.00 H new ATOM 0 HA LEU A 168 -3.480 0.129 -6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 168 -6.086 -1.403 -6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 168 -4.496 -2.022 -6.147 1.00 0.00 H new ATOM 0 HG LEU A 168 -5.537 -1.288 -4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -3.962 0.429 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -3.147 -0.823 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -3.496 0.769 -5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -6.314 1.026 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 168 -5.949 1.392 -5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 168 -7.215 0.209 -5.088 1.00 0.00 H new ATOM 412 N HIS A 169 -3.160 -1.628 -8.733 1.00 0.00 N ATOM 413 CA HIS A 169 -2.879 -2.444 -9.910 1.00 0.00 C ATOM 414 C HIS A 169 -2.264 -3.773 -9.480 1.00 0.00 C ATOM 415 O HIS A 169 -1.535 -3.833 -8.490 1.00 0.00 O ATOM 416 CB HIS A 169 -1.935 -1.715 -10.877 1.00 0.00 C ATOM 417 CG HIS A 169 -0.525 -1.576 -10.378 1.00 0.00 C ATOM 418 ND1 HIS A 169 0.134 -0.367 -10.308 1.00 0.00 N ATOM 419 CD2 HIS A 169 0.357 -2.505 -9.933 1.00 0.00 C ATOM 420 CE1 HIS A 169 1.355 -0.557 -9.842 1.00 0.00 C ATOM 421 NE2 HIS A 169 1.515 -1.845 -9.607 1.00 0.00 N ATOM 0 H HIS A 169 -2.400 -1.599 -8.053 1.00 0.00 H new ATOM 0 HA HIS A 169 -3.818 -2.630 -10.432 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -1.921 -2.251 -11.826 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -2.336 -0.722 -11.078 1.00 0.00 H new ATOM 0 HD2 HIS A 169 0.181 -3.567 -9.850 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.096 0.212 -9.681 1.00 0.00 H new ATOM 0 HE2 HIS A 169 2.362 -2.280 -9.242 1.00 0.00 H new ATOM 430 N SER A 170 -2.565 -4.837 -10.214 1.00 0.00 N ATOM 431 CA SER A 170 -2.035 -6.154 -9.881 1.00 0.00 C ATOM 432 C SER A 170 -1.979 -7.063 -11.103 1.00 0.00 C ATOM 433 O SER A 170 -2.794 -6.946 -12.018 1.00 0.00 O ATOM 434 CB SER A 170 -2.885 -6.805 -8.789 1.00 0.00 C ATOM 435 OG SER A 170 -2.281 -7.995 -8.313 1.00 0.00 O ATOM 0 H SER A 170 -3.168 -4.815 -11.037 1.00 0.00 H new ATOM 0 HA SER A 170 -1.017 -6.017 -9.516 1.00 0.00 H new ATOM 0 HB2 SER A 170 -3.019 -6.106 -7.963 1.00 0.00 H new ATOM 0 HB3 SER A 170 -3.877 -7.029 -9.181 1.00 0.00 H new ATOM 0 HG SER A 170 -1.811 -7.810 -7.473 1.00 0.00 H new ATOM 441 N ASP A 171 -1.015 -7.977 -11.101 1.00 0.00 N ATOM 442 CA ASP A 171 -0.848 -8.924 -12.196 1.00 0.00 C ATOM 443 C ASP A 171 -1.106 -10.345 -11.708 1.00 0.00 C ATOM 444 O ASP A 171 -2.104 -10.967 -12.072 1.00 0.00 O ATOM 445 CB ASP A 171 0.562 -8.819 -12.782 1.00 0.00 C ATOM 446 CG ASP A 171 0.767 -9.744 -13.965 1.00 0.00 C ATOM 447 OD1 ASP A 171 0.199 -9.465 -15.042 1.00 0.00 O ATOM 448 OD2 ASP A 171 1.496 -10.747 -13.815 1.00 0.00 O ATOM 0 H ASP A 171 -0.334 -8.082 -10.349 1.00 0.00 H new ATOM 0 HA ASP A 171 -1.570 -8.682 -12.976 1.00 0.00 H new ATOM 0 HB2 ASP A 171 0.748 -7.791 -13.092 1.00 0.00 H new ATOM 0 HB3 ASP A 171 1.292 -9.056 -12.008 1.00 0.00 H new ATOM 453 N LYS A 172 -0.205 -10.847 -10.869 1.00 0.00 N ATOM 454 CA LYS A 172 -0.338 -12.189 -10.315 1.00 0.00 C ATOM 455 C LYS A 172 -1.117 -12.150 -9.004 1.00 0.00 C ATOM 456 O LYS A 172 -1.148 -11.125 -8.322 1.00 0.00 O ATOM 457 CB LYS A 172 1.042 -12.808 -10.084 1.00 0.00 C ATOM 458 CG LYS A 172 1.676 -13.371 -11.345 1.00 0.00 C ATOM 459 CD LYS A 172 0.944 -14.612 -11.831 1.00 0.00 C ATOM 460 CE LYS A 172 -0.077 -14.272 -12.905 1.00 0.00 C ATOM 461 NZ LYS A 172 0.399 -14.650 -14.264 1.00 0.00 N ATOM 0 H LYS A 172 0.626 -10.344 -10.558 1.00 0.00 H new ATOM 0 HA LYS A 172 -0.885 -12.803 -11.030 1.00 0.00 H new ATOM 0 HB2 LYS A 172 1.704 -12.052 -9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 172 0.954 -13.604 -9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 172 1.667 -12.612 -12.128 1.00 0.00 H new ATOM 0 HG3 LYS A 172 2.720 -13.616 -11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 172 1.664 -15.329 -12.226 1.00 0.00 H new ATOM 0 HD3 LYS A 172 0.443 -15.093 -10.991 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -1.013 -14.788 -12.692 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -0.289 -13.203 -12.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -0.326 -14.402 -14.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 1.279 -14.139 -14.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 0.577 -15.674 -14.297 1.00 0.00 H new ATOM 475 N SER A 173 -1.745 -13.267 -8.655 1.00 0.00 N ATOM 476 CA SER A 173 -2.522 -13.348 -7.423 1.00 0.00 C ATOM 477 C SER A 173 -1.699 -13.958 -6.291 1.00 0.00 C ATOM 478 O SER A 173 -2.251 -14.452 -5.307 1.00 0.00 O ATOM 479 CB SER A 173 -3.791 -14.172 -7.648 1.00 0.00 C ATOM 480 OG SER A 173 -4.773 -13.418 -8.337 1.00 0.00 O ATOM 0 H SER A 173 -1.732 -14.126 -9.205 1.00 0.00 H new ATOM 0 HA SER A 173 -2.800 -12.334 -7.136 1.00 0.00 H new ATOM 0 HB2 SER A 173 -3.550 -15.069 -8.219 1.00 0.00 H new ATOM 0 HB3 SER A 173 -4.189 -14.502 -6.688 1.00 0.00 H new ATOM 0 HG SER A 173 -5.574 -13.967 -8.470 1.00 0.00 H new ATOM 486 N LYS A 174 -0.379 -13.924 -6.437 1.00 0.00 N ATOM 487 CA LYS A 174 0.515 -14.480 -5.426 1.00 0.00 C ATOM 488 C LYS A 174 1.305 -13.388 -4.695 1.00 0.00 C ATOM 489 O LYS A 174 1.346 -13.374 -3.465 1.00 0.00 O ATOM 490 CB LYS A 174 1.472 -15.495 -6.056 1.00 0.00 C ATOM 491 CG LYS A 174 0.788 -16.780 -6.493 1.00 0.00 C ATOM 492 CD LYS A 174 1.697 -17.625 -7.370 1.00 0.00 C ATOM 493 CE LYS A 174 1.308 -19.094 -7.322 1.00 0.00 C ATOM 494 NZ LYS A 174 -0.165 -19.284 -7.438 1.00 0.00 N ATOM 0 H LYS A 174 0.096 -13.518 -7.244 1.00 0.00 H new ATOM 0 HA LYS A 174 -0.107 -14.986 -4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 174 1.957 -15.039 -6.919 1.00 0.00 H new ATOM 0 HB3 LYS A 174 2.257 -15.736 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 174 0.493 -17.353 -5.614 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -0.125 -16.540 -7.038 1.00 0.00 H new ATOM 0 HD2 LYS A 174 1.647 -17.268 -8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 174 2.730 -17.510 -7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 174 1.807 -19.628 -8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 174 1.658 -19.532 -6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -0.370 -20.280 -7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -0.620 -19.025 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -0.534 -18.680 -8.200 1.00 0.00 H new ATOM 508 N PRO A 175 1.949 -12.456 -5.428 1.00 0.00 N ATOM 509 CA PRO A 175 2.730 -11.378 -4.808 1.00 0.00 C ATOM 510 C PRO A 175 1.895 -10.530 -3.855 1.00 0.00 C ATOM 511 O PRO A 175 2.158 -10.488 -2.653 1.00 0.00 O ATOM 512 CB PRO A 175 3.201 -10.536 -5.999 1.00 0.00 C ATOM 513 CG PRO A 175 3.133 -11.456 -7.167 1.00 0.00 C ATOM 514 CD PRO A 175 1.974 -12.371 -6.899 1.00 0.00 C ATOM 0 HA PRO A 175 3.546 -11.771 -4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 175 2.562 -9.665 -6.144 1.00 0.00 H new ATOM 0 HB3 PRO A 175 4.215 -10.166 -5.845 1.00 0.00 H new ATOM 0 HG2 PRO A 175 2.987 -10.901 -8.094 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.060 -12.020 -7.275 1.00 0.00 H new ATOM 0 HD2 PRO A 175 1.042 -11.968 -7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 175 2.118 -13.349 -7.357 1.00 0.00 H new ATOM 522 N GLY A 176 0.886 -9.854 -4.397 1.00 0.00 N ATOM 523 CA GLY A 176 0.029 -9.017 -3.578 1.00 0.00 C ATOM 524 C GLY A 176 -0.590 -7.875 -4.361 1.00 0.00 C ATOM 525 O GLY A 176 -0.630 -7.907 -5.590 1.00 0.00 O ATOM 0 H GLY A 176 0.647 -9.871 -5.388 1.00 0.00 H new ATOM 0 HA2 GLY A 176 -0.763 -9.628 -3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 176 0.608 -8.612 -2.748 1.00 0.00 H new ATOM 529 N GLN A 177 -1.075 -6.865 -3.645 1.00 0.00 N ATOM 530 CA GLN A 177 -1.697 -5.708 -4.280 1.00 0.00 C ATOM 531 C GLN A 177 -0.800 -4.479 -4.169 1.00 0.00 C ATOM 532 O GLN A 177 -0.225 -4.211 -3.115 1.00 0.00 O ATOM 533 CB GLN A 177 -3.057 -5.420 -3.642 1.00 0.00 C ATOM 534 CG GLN A 177 -3.820 -4.294 -4.321 1.00 0.00 C ATOM 535 CD GLN A 177 -4.008 -4.530 -5.807 1.00 0.00 C ATOM 536 OE1 GLN A 177 -3.364 -3.886 -6.636 1.00 0.00 O ATOM 537 NE2 GLN A 177 -4.894 -5.457 -6.151 1.00 0.00 N ATOM 0 H GLN A 177 -1.049 -6.824 -2.626 1.00 0.00 H new ATOM 0 HA GLN A 177 -1.840 -5.937 -5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 177 -3.662 -6.326 -3.670 1.00 0.00 H new ATOM 0 HB3 GLN A 177 -2.910 -5.167 -2.592 1.00 0.00 H new ATOM 0 HG2 GLN A 177 -4.796 -4.185 -3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 177 -3.286 -3.356 -4.171 1.00 0.00 H new ATOM 0 HE21 GLN A 177 -5.405 -5.966 -5.430 1.00 0.00 H new ATOM 0 HE22 GLN A 177 -5.064 -5.660 -7.136 1.00 0.00 H new ATOM 546 N PHE A 178 -0.686 -3.737 -5.267 1.00 0.00 N ATOM 547 CA PHE A 178 0.142 -2.536 -5.297 1.00 0.00 C ATOM 548 C PHE A 178 -0.681 -1.327 -5.732 1.00 0.00 C ATOM 549 O PHE A 178 -1.719 -1.474 -6.378 1.00 0.00 O ATOM 550 CB PHE A 178 1.324 -2.728 -6.252 1.00 0.00 C ATOM 551 CG PHE A 178 1.939 -4.100 -6.189 1.00 0.00 C ATOM 552 CD1 PHE A 178 2.099 -4.751 -4.976 1.00 0.00 C ATOM 553 CD2 PHE A 178 2.354 -4.739 -7.347 1.00 0.00 C ATOM 554 CE1 PHE A 178 2.661 -6.012 -4.919 1.00 0.00 C ATOM 555 CE2 PHE A 178 2.917 -6.000 -7.296 1.00 0.00 C ATOM 556 CZ PHE A 178 3.070 -6.637 -6.081 1.00 0.00 C ATOM 0 H PHE A 178 -1.157 -3.947 -6.147 1.00 0.00 H new ATOM 0 HA PHE A 178 0.522 -2.359 -4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 178 0.990 -2.536 -7.272 1.00 0.00 H new ATOM 0 HB3 PHE A 178 2.089 -1.986 -6.022 1.00 0.00 H new ATOM 0 HD1 PHE A 178 1.781 -4.267 -4.065 1.00 0.00 H new ATOM 0 HD2 PHE A 178 2.236 -4.246 -8.300 1.00 0.00 H new ATOM 0 HE1 PHE A 178 2.780 -6.508 -3.967 1.00 0.00 H new ATOM 0 HE2 PHE A 178 3.237 -6.486 -8.206 1.00 0.00 H new ATOM 0 HZ PHE A 178 3.509 -7.623 -6.039 1.00 0.00 H new ATOM 566 N ILE A 179 -0.213 -0.131 -5.383 1.00 0.00 N ATOM 567 CA ILE A 179 -0.913 1.093 -5.751 1.00 0.00 C ATOM 568 C ILE A 179 -0.478 1.569 -7.129 1.00 0.00 C ATOM 569 O ILE A 179 0.700 1.496 -7.480 1.00 0.00 O ATOM 570 CB ILE A 179 -0.675 2.210 -4.718 1.00 0.00 C ATOM 571 CG1 ILE A 179 -0.996 1.694 -3.312 1.00 0.00 C ATOM 572 CG2 ILE A 179 -1.518 3.433 -5.055 1.00 0.00 C ATOM 573 CD1 ILE A 179 -0.977 2.768 -2.247 1.00 0.00 C ATOM 0 H ILE A 179 0.644 0.015 -4.849 1.00 0.00 H new ATOM 0 HA ILE A 179 -1.978 0.864 -5.771 1.00 0.00 H new ATOM 0 HB ILE A 179 0.374 2.506 -4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -1.980 1.225 -3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -0.276 0.920 -3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -1.339 4.214 -4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -1.246 3.801 -6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -2.573 3.161 -5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -1.214 2.325 -1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 179 0.013 3.222 -2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -1.717 3.532 -2.487 1.00 0.00 H new ATOM 585 N ARG A 180 -1.439 2.040 -7.913 1.00 0.00 N ATOM 586 CA ARG A 180 -1.157 2.510 -9.261 1.00 0.00 C ATOM 587 C ARG A 180 -1.186 4.034 -9.340 1.00 0.00 C ATOM 588 O ARG A 180 -0.386 4.639 -10.054 1.00 0.00 O ATOM 589 CB ARG A 180 -2.162 1.900 -10.243 1.00 0.00 C ATOM 590 CG ARG A 180 -3.546 2.521 -10.175 1.00 0.00 C ATOM 591 CD ARG A 180 -4.427 2.050 -11.320 1.00 0.00 C ATOM 592 NE ARG A 180 -3.755 2.165 -12.612 1.00 0.00 N ATOM 593 CZ ARG A 180 -4.139 1.514 -13.708 1.00 0.00 C ATOM 594 NH1 ARG A 180 -5.189 0.703 -13.673 1.00 0.00 N ATOM 595 NH2 ARG A 180 -3.471 1.675 -14.842 1.00 0.00 N ATOM 0 H ARG A 180 -2.419 2.106 -7.638 1.00 0.00 H new ATOM 0 HA ARG A 180 -0.151 2.189 -9.531 1.00 0.00 H new ATOM 0 HB2 ARG A 180 -1.776 2.008 -11.256 1.00 0.00 H new ATOM 0 HB3 ARG A 180 -2.244 0.831 -10.046 1.00 0.00 H new ATOM 0 HG2 ARG A 180 -4.015 2.264 -9.225 1.00 0.00 H new ATOM 0 HG3 ARG A 180 -3.460 3.607 -10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 180 -4.715 1.012 -11.152 1.00 0.00 H new ATOM 0 HD3 ARG A 180 -5.345 2.637 -11.336 1.00 0.00 H new ATOM 0 HE ARG A 180 -2.944 2.780 -12.678 1.00 0.00 H new ATOM 0 HH11 ARG A 180 -5.706 0.576 -12.803 1.00 0.00 H new ATOM 0 HH12 ARG A 180 -5.479 0.207 -14.516 1.00 0.00 H new ATOM 0 HH21 ARG A 180 -2.663 2.297 -14.874 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -3.765 1.177 -15.682 1.00 0.00 H new ATOM 609 N SER A 181 -2.111 4.652 -8.611 1.00 0.00 N ATOM 610 CA SER A 181 -2.228 6.108 -8.620 1.00 0.00 C ATOM 611 C SER A 181 -2.721 6.643 -7.279 1.00 0.00 C ATOM 612 O SER A 181 -3.393 5.941 -6.525 1.00 0.00 O ATOM 613 CB SER A 181 -3.175 6.553 -9.736 1.00 0.00 C ATOM 614 OG SER A 181 -3.212 7.966 -9.841 1.00 0.00 O ATOM 0 H SER A 181 -2.784 4.174 -8.012 1.00 0.00 H new ATOM 0 HA SER A 181 -1.234 6.518 -8.799 1.00 0.00 H new ATOM 0 HB2 SER A 181 -2.852 6.123 -10.684 1.00 0.00 H new ATOM 0 HB3 SER A 181 -4.178 6.174 -9.539 1.00 0.00 H new ATOM 0 HG SER A 181 -3.823 8.225 -10.562 1.00 0.00 H new ATOM 620 N VAL A 182 -2.383 7.899 -6.995 1.00 0.00 N ATOM 621 CA VAL A 182 -2.791 8.547 -5.752 1.00 0.00 C ATOM 622 C VAL A 182 -3.368 9.933 -6.029 1.00 0.00 C ATOM 623 O VAL A 182 -2.896 10.646 -6.914 1.00 0.00 O ATOM 624 CB VAL A 182 -1.610 8.681 -4.772 1.00 0.00 C ATOM 625 CG1 VAL A 182 -2.084 9.224 -3.433 1.00 0.00 C ATOM 626 CG2 VAL A 182 -0.909 7.343 -4.593 1.00 0.00 C ATOM 0 H VAL A 182 -1.825 8.490 -7.612 1.00 0.00 H new ATOM 0 HA VAL A 182 -3.556 7.917 -5.298 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.894 9.388 -5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -1.235 9.311 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -2.535 10.206 -3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.822 8.545 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.078 7.458 -3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -1.615 6.613 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 182 -0.531 6.998 -5.556 1.00 0.00 H new ATOM 636 N ASP A 183 -4.393 10.308 -5.270 1.00 0.00 N ATOM 637 CA ASP A 183 -5.034 11.608 -5.439 1.00 0.00 C ATOM 638 C ASP A 183 -4.452 12.638 -4.471 1.00 0.00 C ATOM 639 O ASP A 183 -4.434 12.417 -3.261 1.00 0.00 O ATOM 640 CB ASP A 183 -6.543 11.484 -5.214 1.00 0.00 C ATOM 641 CG ASP A 183 -7.288 12.764 -5.540 1.00 0.00 C ATOM 642 OD1 ASP A 183 -6.646 13.835 -5.568 1.00 0.00 O ATOM 643 OD2 ASP A 183 -8.514 12.695 -5.765 1.00 0.00 O ATOM 0 H ASP A 183 -4.797 9.731 -4.533 1.00 0.00 H new ATOM 0 HA ASP A 183 -4.845 11.947 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 183 -6.933 10.674 -5.830 1.00 0.00 H new ATOM 0 HB3 ASP A 183 -6.731 11.213 -4.175 1.00 0.00 H new ATOM 648 N PRO A 184 -3.969 13.784 -4.985 1.00 0.00 N ATOM 649 CA PRO A 184 -3.394 14.838 -4.144 1.00 0.00 C ATOM 650 C PRO A 184 -4.426 15.442 -3.195 1.00 0.00 C ATOM 651 O PRO A 184 -5.546 15.756 -3.598 1.00 0.00 O ATOM 652 CB PRO A 184 -2.914 15.896 -5.149 1.00 0.00 C ATOM 653 CG PRO A 184 -2.873 15.199 -6.466 1.00 0.00 C ATOM 654 CD PRO A 184 -3.942 14.148 -6.411 1.00 0.00 C ATOM 0 HA PRO A 184 -2.598 14.453 -3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 184 -3.593 16.749 -5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 184 -1.931 16.280 -4.876 1.00 0.00 H new ATOM 0 HG2 PRO A 184 -3.054 15.897 -7.283 1.00 0.00 H new ATOM 0 HG3 PRO A 184 -1.894 14.752 -6.640 1.00 0.00 H new ATOM 0 HD2 PRO A 184 -4.905 14.532 -6.749 1.00 0.00 H new ATOM 0 HD3 PRO A 184 -3.701 13.293 -7.042 1.00 0.00 H new ATOM 662 N ASP A 185 -4.037 15.607 -1.934 1.00 0.00 N ATOM 663 CA ASP A 185 -4.921 16.180 -0.920 1.00 0.00 C ATOM 664 C ASP A 185 -6.002 15.189 -0.486 1.00 0.00 C ATOM 665 O ASP A 185 -6.982 15.574 0.152 1.00 0.00 O ATOM 666 CB ASP A 185 -5.574 17.463 -1.441 1.00 0.00 C ATOM 667 CG ASP A 185 -6.096 18.343 -0.322 1.00 0.00 C ATOM 668 OD1 ASP A 185 -7.196 18.054 0.196 1.00 0.00 O ATOM 669 OD2 ASP A 185 -5.406 19.320 0.037 1.00 0.00 O ATOM 0 H ASP A 185 -3.112 15.351 -1.588 1.00 0.00 H new ATOM 0 HA ASP A 185 -4.308 16.414 -0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -4.848 18.023 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -6.396 17.204 -2.109 1.00 0.00 H new ATOM 674 N SER A 186 -5.820 13.914 -0.822 1.00 0.00 N ATOM 675 CA SER A 186 -6.785 12.885 -0.449 1.00 0.00 C ATOM 676 C SER A 186 -6.335 12.163 0.819 1.00 0.00 C ATOM 677 O SER A 186 -5.171 12.253 1.210 1.00 0.00 O ATOM 678 CB SER A 186 -6.965 11.883 -1.589 1.00 0.00 C ATOM 679 OG SER A 186 -7.748 12.435 -2.633 1.00 0.00 O ATOM 0 H SER A 186 -5.017 13.571 -1.349 1.00 0.00 H new ATOM 0 HA SER A 186 -7.742 13.368 -0.254 1.00 0.00 H new ATOM 0 HB2 SER A 186 -5.990 11.590 -1.977 1.00 0.00 H new ATOM 0 HB3 SER A 186 -7.442 10.979 -1.211 1.00 0.00 H new ATOM 0 HG SER A 186 -8.463 11.809 -2.872 1.00 0.00 H new ATOM 685 N PRO A 187 -7.251 11.437 1.485 1.00 0.00 N ATOM 686 CA PRO A 187 -6.933 10.706 2.716 1.00 0.00 C ATOM 687 C PRO A 187 -5.629 9.921 2.610 1.00 0.00 C ATOM 688 O PRO A 187 -4.838 9.885 3.553 1.00 0.00 O ATOM 689 CB PRO A 187 -8.121 9.760 2.872 1.00 0.00 C ATOM 690 CG PRO A 187 -9.258 10.482 2.235 1.00 0.00 C ATOM 691 CD PRO A 187 -8.667 11.274 1.097 1.00 0.00 C ATOM 0 HA PRO A 187 -6.785 11.374 3.564 1.00 0.00 H new ATOM 0 HB2 PRO A 187 -7.934 8.804 2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 187 -8.324 9.547 3.922 1.00 0.00 H new ATOM 0 HG2 PRO A 187 -10.010 9.781 1.873 1.00 0.00 H new ATOM 0 HG3 PRO A 187 -9.753 11.139 2.951 1.00 0.00 H new ATOM 0 HD2 PRO A 187 -8.764 10.746 0.148 1.00 0.00 H new ATOM 0 HD3 PRO A 187 -9.164 12.237 0.978 1.00 0.00 H new ATOM 699 N ALA A 188 -5.405 9.302 1.456 1.00 0.00 N ATOM 700 CA ALA A 188 -4.189 8.529 1.234 1.00 0.00 C ATOM 701 C ALA A 188 -2.963 9.436 1.253 1.00 0.00 C ATOM 702 O ALA A 188 -1.928 9.090 1.824 1.00 0.00 O ATOM 703 CB ALA A 188 -4.275 7.778 -0.086 1.00 0.00 C ATOM 0 H ALA A 188 -6.046 9.320 0.663 1.00 0.00 H new ATOM 0 HA ALA A 188 -4.089 7.804 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 188 -3.360 7.205 -0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 188 -5.128 7.100 -0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 188 -4.398 8.490 -0.902 1.00 0.00 H new ATOM 709 N GLU A 189 -3.091 10.601 0.628 1.00 0.00 N ATOM 710 CA GLU A 189 -2.000 11.566 0.570 1.00 0.00 C ATOM 711 C GLU A 189 -1.751 12.185 1.940 1.00 0.00 C ATOM 712 O GLU A 189 -0.619 12.222 2.423 1.00 0.00 O ATOM 713 CB GLU A 189 -2.322 12.667 -0.440 1.00 0.00 C ATOM 714 CG GLU A 189 -1.098 13.424 -0.927 1.00 0.00 C ATOM 715 CD GLU A 189 -0.331 12.667 -1.993 1.00 0.00 C ATOM 716 OE1 GLU A 189 -0.105 11.452 -1.812 1.00 0.00 O ATOM 717 OE2 GLU A 189 0.045 13.289 -3.009 1.00 0.00 O ATOM 0 H GLU A 189 -3.943 10.900 0.153 1.00 0.00 H new ATOM 0 HA GLU A 189 -1.099 11.040 0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 189 -2.830 12.225 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 189 -3.018 13.372 0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 189 -1.407 14.391 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 189 -0.438 13.623 -0.082 1.00 0.00 H new ATOM 724 N ALA A 190 -2.821 12.672 2.560 1.00 0.00 N ATOM 725 CA ALA A 190 -2.733 13.297 3.877 1.00 0.00 C ATOM 726 C ALA A 190 -1.916 12.446 4.846 1.00 0.00 C ATOM 727 O ALA A 190 -1.250 12.972 5.738 1.00 0.00 O ATOM 728 CB ALA A 190 -4.126 13.544 4.436 1.00 0.00 C ATOM 0 H ALA A 190 -3.763 12.646 2.170 1.00 0.00 H new ATOM 0 HA ALA A 190 -2.221 14.252 3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -4.047 14.010 5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.676 14.204 3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -4.655 12.595 4.526 1.00 0.00 H new ATOM 734 N SER A 191 -1.971 11.131 4.664 1.00 0.00 N ATOM 735 CA SER A 191 -1.236 10.211 5.524 1.00 0.00 C ATOM 736 C SER A 191 0.224 10.107 5.094 1.00 0.00 C ATOM 737 O SER A 191 1.111 9.890 5.920 1.00 0.00 O ATOM 738 CB SER A 191 -1.886 8.827 5.493 1.00 0.00 C ATOM 739 OG SER A 191 -1.194 7.920 6.333 1.00 0.00 O ATOM 0 H SER A 191 -2.516 10.679 3.930 1.00 0.00 H new ATOM 0 HA SER A 191 -1.268 10.601 6.541 1.00 0.00 H new ATOM 0 HB2 SER A 191 -2.925 8.903 5.812 1.00 0.00 H new ATOM 0 HB3 SER A 191 -1.893 8.448 4.471 1.00 0.00 H new ATOM 0 HG SER A 191 -0.926 7.133 5.814 1.00 0.00 H new ATOM 745 N GLY A 192 0.465 10.257 3.796 1.00 0.00 N ATOM 746 CA GLY A 192 1.819 10.171 3.276 1.00 0.00 C ATOM 747 C GLY A 192 2.012 8.958 2.389 1.00 0.00 C ATOM 748 O GLY A 192 3.101 8.386 2.330 1.00 0.00 O ATOM 0 H GLY A 192 -0.253 10.437 3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 192 2.048 11.074 2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 192 2.524 10.128 4.106 1.00 0.00 H new ATOM 752 N LEU A 193 0.946 8.565 1.703 1.00 0.00 N ATOM 753 CA LEU A 193 0.980 7.410 0.814 1.00 0.00 C ATOM 754 C LEU A 193 1.552 7.789 -0.550 1.00 0.00 C ATOM 755 O LEU A 193 1.429 8.933 -0.988 1.00 0.00 O ATOM 756 CB LEU A 193 -0.433 6.840 0.660 1.00 0.00 C ATOM 757 CG LEU A 193 -0.571 5.661 -0.304 1.00 0.00 C ATOM 758 CD1 LEU A 193 -1.845 4.881 -0.006 1.00 0.00 C ATOM 759 CD2 LEU A 193 -0.567 6.147 -1.749 1.00 0.00 C ATOM 0 H LEU A 193 0.041 9.033 1.746 1.00 0.00 H new ATOM 0 HA LEU A 193 1.629 6.651 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -0.787 6.526 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -1.093 7.640 0.324 1.00 0.00 H new ATOM 0 HG LEU A 193 0.283 4.998 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -1.930 4.045 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -1.809 4.503 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -2.708 5.537 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -0.666 5.294 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -1.402 6.830 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 193 0.370 6.665 -1.956 1.00 0.00 H new ATOM 771 N ARG A 194 2.175 6.821 -1.218 1.00 0.00 N ATOM 772 CA ARG A 194 2.760 7.055 -2.533 1.00 0.00 C ATOM 773 C ARG A 194 2.467 5.887 -3.467 1.00 0.00 C ATOM 774 O ARG A 194 2.685 4.728 -3.115 1.00 0.00 O ATOM 775 CB ARG A 194 4.271 7.267 -2.415 1.00 0.00 C ATOM 776 CG ARG A 194 4.652 8.528 -1.655 1.00 0.00 C ATOM 777 CD ARG A 194 6.074 8.962 -1.970 1.00 0.00 C ATOM 778 NE ARG A 194 6.638 9.797 -0.912 1.00 0.00 N ATOM 779 CZ ARG A 194 7.678 10.610 -1.084 1.00 0.00 C ATOM 780 NH1 ARG A 194 8.272 10.701 -2.268 1.00 0.00 N ATOM 781 NH2 ARG A 194 8.126 11.335 -0.068 1.00 0.00 N ATOM 0 H ARG A 194 2.287 5.869 -0.870 1.00 0.00 H new ATOM 0 HA ARG A 194 2.310 7.955 -2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 194 4.712 6.405 -1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 194 4.702 7.311 -3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 194 3.961 9.331 -1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 194 4.553 8.352 -0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 194 6.700 8.080 -2.109 1.00 0.00 H new ATOM 0 HD3 ARG A 194 6.085 9.512 -2.911 1.00 0.00 H new ATOM 0 HE ARG A 194 6.210 9.755 0.013 1.00 0.00 H new ATOM 0 HH11 ARG A 194 7.932 10.146 -3.053 1.00 0.00 H new ATOM 0 HH12 ARG A 194 9.068 11.326 -2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 194 7.674 11.269 0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 194 8.923 11.958 -0.198 1.00 0.00 H new ATOM 795 N ALA A 195 1.968 6.201 -4.658 1.00 0.00 N ATOM 796 CA ALA A 195 1.637 5.178 -5.645 1.00 0.00 C ATOM 797 C ALA A 195 2.817 4.243 -5.899 1.00 0.00 C ATOM 798 O ALA A 195 3.968 4.603 -5.657 1.00 0.00 O ATOM 799 CB ALA A 195 1.191 5.829 -6.946 1.00 0.00 C ATOM 0 H ALA A 195 1.784 7.156 -4.964 1.00 0.00 H new ATOM 0 HA ALA A 195 0.818 4.580 -5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.947 5.056 -7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 195 0.311 6.445 -6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 195 1.996 6.453 -7.335 1.00 0.00 H new ATOM 805 N GLN A 196 2.511 3.043 -6.395 1.00 0.00 N ATOM 806 CA GLN A 196 3.524 2.030 -6.705 1.00 0.00 C ATOM 807 C GLN A 196 3.948 1.234 -5.468 1.00 0.00 C ATOM 808 O GLN A 196 4.533 0.159 -5.595 1.00 0.00 O ATOM 809 CB GLN A 196 4.758 2.664 -7.360 1.00 0.00 C ATOM 810 CG GLN A 196 4.427 3.582 -8.526 1.00 0.00 C ATOM 811 CD GLN A 196 5.636 4.354 -9.019 1.00 0.00 C ATOM 812 OE1 GLN A 196 6.617 3.767 -9.475 1.00 0.00 O ATOM 813 NE2 GLN A 196 5.570 5.677 -8.930 1.00 0.00 N ATOM 0 H GLN A 196 1.556 2.745 -6.593 1.00 0.00 H new ATOM 0 HA GLN A 196 3.061 1.337 -7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 196 5.307 3.230 -6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 196 5.420 1.872 -7.709 1.00 0.00 H new ATOM 0 HG2 GLN A 196 4.019 2.990 -9.345 1.00 0.00 H new ATOM 0 HG3 GLN A 196 3.651 4.284 -8.222 1.00 0.00 H new ATOM 0 HE21 GLN A 196 4.736 6.121 -8.545 1.00 0.00 H new ATOM 0 HE22 GLN A 196 6.353 6.249 -9.247 1.00 0.00 H new ATOM 822 N ASP A 197 3.653 1.748 -4.277 1.00 0.00 N ATOM 823 CA ASP A 197 4.018 1.055 -3.045 1.00 0.00 C ATOM 824 C ASP A 197 3.338 -0.310 -2.973 1.00 0.00 C ATOM 825 O ASP A 197 2.246 -0.498 -3.510 1.00 0.00 O ATOM 826 CB ASP A 197 3.649 1.901 -1.824 1.00 0.00 C ATOM 827 CG ASP A 197 2.203 2.352 -1.846 1.00 0.00 C ATOM 828 OD1 ASP A 197 1.601 2.357 -2.938 1.00 0.00 O ATOM 829 OD2 ASP A 197 1.675 2.707 -0.772 1.00 0.00 O ATOM 0 H ASP A 197 3.167 2.634 -4.139 1.00 0.00 H new ATOM 0 HA ASP A 197 5.097 0.901 -3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 197 3.833 1.324 -0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.298 2.775 -1.782 1.00 0.00 H new ATOM 834 N ARG A 198 3.995 -1.262 -2.317 1.00 0.00 N ATOM 835 CA ARG A 198 3.458 -2.615 -2.190 1.00 0.00 C ATOM 836 C ARG A 198 2.608 -2.759 -0.931 1.00 0.00 C ATOM 837 O ARG A 198 3.105 -2.602 0.183 1.00 0.00 O ATOM 838 CB ARG A 198 4.599 -3.637 -2.160 1.00 0.00 C ATOM 839 CG ARG A 198 5.731 -3.322 -3.127 1.00 0.00 C ATOM 840 CD ARG A 198 5.325 -3.582 -4.568 1.00 0.00 C ATOM 841 NE ARG A 198 5.818 -4.870 -5.051 1.00 0.00 N ATOM 842 CZ ARG A 198 7.108 -5.160 -5.202 1.00 0.00 C ATOM 843 NH1 ARG A 198 8.037 -4.259 -4.907 1.00 0.00 N ATOM 844 NH2 ARG A 198 7.470 -6.356 -5.647 1.00 0.00 N ATOM 0 H ARG A 198 4.899 -1.123 -1.865 1.00 0.00 H new ATOM 0 HA ARG A 198 2.823 -2.803 -3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 198 5.002 -3.689 -1.148 1.00 0.00 H new ATOM 0 HB3 ARG A 198 4.197 -4.623 -2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 198 6.027 -2.279 -3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 198 6.602 -3.929 -2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 198 4.238 -3.556 -4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 198 5.711 -2.785 -5.203 1.00 0.00 H new ATOM 0 HE ARG A 198 5.133 -5.589 -5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 198 7.764 -3.339 -4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 198 9.024 -4.487 -5.025 1.00 0.00 H new ATOM 0 HH21 ARG A 198 6.760 -7.052 -5.873 1.00 0.00 H new ATOM 0 HH22 ARG A 198 8.458 -6.579 -5.763 1.00 0.00 H new ATOM 858 N ILE A 199 1.327 -3.069 -1.116 1.00 0.00 N ATOM 859 CA ILE A 199 0.409 -3.245 0.005 1.00 0.00 C ATOM 860 C ILE A 199 0.809 -4.450 0.848 1.00 0.00 C ATOM 861 O ILE A 199 1.011 -5.546 0.327 1.00 0.00 O ATOM 862 CB ILE A 199 -1.044 -3.429 -0.477 1.00 0.00 C ATOM 863 CG1 ILE A 199 -1.440 -2.298 -1.431 1.00 0.00 C ATOM 864 CG2 ILE A 199 -1.996 -3.485 0.710 1.00 0.00 C ATOM 865 CD1 ILE A 199 -1.542 -0.945 -0.760 1.00 0.00 C ATOM 0 H ILE A 199 0.901 -3.204 -2.033 1.00 0.00 H new ATOM 0 HA ILE A 199 0.467 -2.340 0.610 1.00 0.00 H new ATOM 0 HB ILE A 199 -1.111 -4.373 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 199 -0.708 -2.240 -2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 199 -2.399 -2.540 -1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 199 -3.017 -3.615 0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 199 -1.727 -4.323 1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 199 -1.926 -2.557 1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 199 -1.826 -0.194 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 199 -2.295 -0.985 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 199 -0.578 -0.681 -0.326 1.00 0.00 H new ATOM 877 N VAL A 200 0.926 -4.235 2.153 1.00 0.00 N ATOM 878 CA VAL A 200 1.310 -5.301 3.072 1.00 0.00 C ATOM 879 C VAL A 200 0.155 -5.699 3.986 1.00 0.00 C ATOM 880 O VAL A 200 -0.085 -6.885 4.214 1.00 0.00 O ATOM 881 CB VAL A 200 2.513 -4.890 3.942 1.00 0.00 C ATOM 882 CG1 VAL A 200 3.076 -6.096 4.678 1.00 0.00 C ATOM 883 CG2 VAL A 200 3.587 -4.225 3.093 1.00 0.00 C ATOM 0 H VAL A 200 0.761 -3.333 2.599 1.00 0.00 H new ATOM 0 HA VAL A 200 1.587 -6.155 2.453 1.00 0.00 H new ATOM 0 HB VAL A 200 2.171 -4.167 4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 200 3.925 -5.787 5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 200 2.305 -6.523 5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 200 3.402 -6.844 3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 200 4.428 -3.942 3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 200 3.928 -4.921 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 200 3.175 -3.335 2.617 1.00 0.00 H new ATOM 893 N GLU A 201 -0.556 -4.707 4.515 1.00 0.00 N ATOM 894 CA GLU A 201 -1.679 -4.974 5.410 1.00 0.00 C ATOM 895 C GLU A 201 -2.819 -3.986 5.184 1.00 0.00 C ATOM 896 O GLU A 201 -2.690 -3.030 4.418 1.00 0.00 O ATOM 897 CB GLU A 201 -1.220 -4.926 6.872 1.00 0.00 C ATOM 898 CG GLU A 201 -1.093 -3.519 7.437 1.00 0.00 C ATOM 899 CD GLU A 201 -0.203 -3.462 8.663 1.00 0.00 C ATOM 900 OE1 GLU A 201 0.926 -3.992 8.602 1.00 0.00 O ATOM 901 OE2 GLU A 201 -0.636 -2.887 9.684 1.00 0.00 O ATOM 0 H GLU A 201 -0.377 -3.718 4.342 1.00 0.00 H new ATOM 0 HA GLU A 201 -2.051 -5.974 5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -1.927 -5.489 7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -0.256 -5.428 6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -0.691 -2.858 6.669 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -2.084 -3.144 7.694 1.00 0.00 H new ATOM 908 N VAL A 202 -3.934 -4.231 5.863 1.00 0.00 N ATOM 909 CA VAL A 202 -5.109 -3.377 5.753 1.00 0.00 C ATOM 910 C VAL A 202 -5.953 -3.443 7.022 1.00 0.00 C ATOM 911 O VAL A 202 -6.621 -4.442 7.287 1.00 0.00 O ATOM 912 CB VAL A 202 -5.980 -3.781 4.546 1.00 0.00 C ATOM 913 CG1 VAL A 202 -7.162 -2.835 4.393 1.00 0.00 C ATOM 914 CG2 VAL A 202 -5.146 -3.813 3.274 1.00 0.00 C ATOM 0 H VAL A 202 -4.048 -5.020 6.499 1.00 0.00 H new ATOM 0 HA VAL A 202 -4.753 -2.357 5.610 1.00 0.00 H new ATOM 0 HB VAL A 202 -6.370 -4.783 4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 202 -7.763 -3.139 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 202 -7.774 -2.868 5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 202 -6.798 -1.819 4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 202 -5.777 -4.100 2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 202 -4.724 -2.825 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 202 -4.339 -4.537 3.386 1.00 0.00 H new ATOM 924 N ASN A 203 -5.923 -2.368 7.802 1.00 0.00 N ATOM 925 CA ASN A 203 -6.687 -2.297 9.044 1.00 0.00 C ATOM 926 C ASN A 203 -6.109 -3.223 10.110 1.00 0.00 C ATOM 927 O ASN A 203 -6.817 -3.648 11.023 1.00 0.00 O ATOM 928 CB ASN A 203 -8.155 -2.649 8.791 1.00 0.00 C ATOM 929 CG ASN A 203 -9.061 -2.201 9.921 1.00 0.00 C ATOM 930 OD1 ASN A 203 -8.983 -1.061 10.379 1.00 0.00 O ATOM 931 ND2 ASN A 203 -9.925 -3.099 10.378 1.00 0.00 N ATOM 0 H ASN A 203 -5.377 -1.532 7.596 1.00 0.00 H new ATOM 0 HA ASN A 203 -6.621 -1.273 9.411 1.00 0.00 H new ATOM 0 HB2 ASN A 203 -8.482 -2.184 7.861 1.00 0.00 H new ATOM 0 HB3 ASN A 203 -8.250 -3.727 8.659 1.00 0.00 H new ATOM 0 HD21 ASN A 203 -10.559 -2.855 11.139 1.00 0.00 H new ATOM 0 HD22 ASN A 203 -9.955 -4.033 9.968 1.00 0.00 H new ATOM 938 N GLY A 204 -4.817 -3.522 10.001 1.00 0.00 N ATOM 939 CA GLY A 204 -4.174 -4.381 10.980 1.00 0.00 C ATOM 940 C GLY A 204 -3.896 -5.781 10.465 1.00 0.00 C ATOM 941 O GLY A 204 -3.052 -6.489 11.016 1.00 0.00 O ATOM 0 H GLY A 204 -4.207 -3.187 9.256 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -3.235 -3.924 11.292 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -4.806 -4.447 11.865 1.00 0.00 H new ATOM 945 N VAL A 205 -4.603 -6.192 9.417 1.00 0.00 N ATOM 946 CA VAL A 205 -4.409 -7.526 8.856 1.00 0.00 C ATOM 947 C VAL A 205 -3.186 -7.568 7.946 1.00 0.00 C ATOM 948 O VAL A 205 -3.263 -7.232 6.764 1.00 0.00 O ATOM 949 CB VAL A 205 -5.647 -8.005 8.072 1.00 0.00 C ATOM 950 CG1 VAL A 205 -6.845 -8.144 8.999 1.00 0.00 C ATOM 951 CG2 VAL A 205 -5.959 -7.060 6.921 1.00 0.00 C ATOM 0 H VAL A 205 -5.308 -5.628 8.943 1.00 0.00 H new ATOM 0 HA VAL A 205 -4.252 -8.199 9.699 1.00 0.00 H new ATOM 0 HB VAL A 205 -5.426 -8.985 7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -7.709 -8.483 8.428 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -6.619 -8.870 9.780 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -7.067 -7.179 9.454 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -6.836 -7.419 6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -6.157 -6.062 7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -5.108 -7.021 6.242 1.00 0.00 H new ATOM 961 N CYS A 206 -2.054 -7.983 8.509 1.00 0.00 N ATOM 962 CA CYS A 206 -0.808 -8.070 7.755 1.00 0.00 C ATOM 963 C CYS A 206 -0.654 -9.443 7.110 1.00 0.00 C ATOM 964 O CYS A 206 -0.254 -10.406 7.764 1.00 0.00 O ATOM 965 CB CYS A 206 0.386 -7.786 8.667 1.00 0.00 C ATOM 966 SG CYS A 206 1.976 -7.730 7.806 1.00 0.00 S ATOM 0 H CYS A 206 -1.975 -8.264 9.486 1.00 0.00 H new ATOM 0 HA CYS A 206 -0.840 -7.320 6.965 1.00 0.00 H new ATOM 0 HB2 CYS A 206 0.225 -6.834 9.173 1.00 0.00 H new ATOM 0 HB3 CYS A 206 0.430 -8.554 9.440 1.00 0.00 H new ATOM 0 HG CYS A 206 2.924 -7.482 8.661 1.00 0.00 H new ATOM 972 N MET A 207 -0.973 -9.522 5.823 1.00 0.00 N ATOM 973 CA MET A 207 -0.869 -10.776 5.086 1.00 0.00 C ATOM 974 C MET A 207 -0.103 -10.579 3.782 1.00 0.00 C ATOM 975 O MET A 207 -0.651 -10.085 2.798 1.00 0.00 O ATOM 976 CB MET A 207 -2.262 -11.338 4.797 1.00 0.00 C ATOM 977 CG MET A 207 -2.896 -12.036 5.988 1.00 0.00 C ATOM 978 SD MET A 207 -1.917 -13.429 6.583 1.00 0.00 S ATOM 979 CE MET A 207 -1.478 -14.222 5.038 1.00 0.00 C ATOM 0 H MET A 207 -1.306 -8.733 5.269 1.00 0.00 H new ATOM 0 HA MET A 207 -0.320 -11.488 5.702 1.00 0.00 H new ATOM 0 HB2 MET A 207 -2.913 -10.525 4.474 1.00 0.00 H new ATOM 0 HB3 MET A 207 -2.196 -12.042 3.967 1.00 0.00 H new ATOM 0 HG2 MET A 207 -3.027 -11.318 6.797 1.00 0.00 H new ATOM 0 HG3 MET A 207 -3.890 -12.388 5.711 1.00 0.00 H new ATOM 0 HE1 MET A 207 -1.141 -15.240 5.234 1.00 0.00 H new ATOM 0 HE2 MET A 207 -2.348 -14.248 4.382 1.00 0.00 H new ATOM 0 HE3 MET A 207 -0.677 -13.661 4.556 1.00 0.00 H new ATOM 989 N GLU A 208 1.166 -10.972 3.780 1.00 0.00 N ATOM 990 CA GLU A 208 1.999 -10.839 2.592 1.00 0.00 C ATOM 991 C GLU A 208 1.507 -11.764 1.485 1.00 0.00 C ATOM 992 O GLU A 208 1.790 -12.962 1.490 1.00 0.00 O ATOM 993 CB GLU A 208 3.459 -11.150 2.925 1.00 0.00 C ATOM 994 CG GLU A 208 4.392 -11.019 1.732 1.00 0.00 C ATOM 995 CD GLU A 208 5.842 -10.845 2.142 1.00 0.00 C ATOM 996 OE1 GLU A 208 6.299 -11.587 3.036 1.00 0.00 O ATOM 997 OE2 GLU A 208 6.519 -9.966 1.568 1.00 0.00 O ATOM 0 H GLU A 208 1.638 -11.384 4.585 1.00 0.00 H new ATOM 0 HA GLU A 208 1.930 -9.809 2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 208 3.795 -10.478 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 208 3.526 -12.164 3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 208 4.300 -11.905 1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 208 4.085 -10.166 1.127 1.00 0.00 H new ATOM 1004 N GLY A 209 0.766 -11.200 0.537 1.00 0.00 N ATOM 1005 CA GLY A 209 0.242 -11.988 -0.563 1.00 0.00 C ATOM 1006 C GLY A 209 -1.273 -12.057 -0.554 1.00 0.00 C ATOM 1007 O GLY A 209 -1.859 -13.013 -1.061 1.00 0.00 O ATOM 0 H GLY A 209 0.519 -10.211 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 209 0.578 -11.558 -1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 209 0.649 -12.998 -0.510 1.00 0.00 H new ATOM 1011 N LYS A 210 -1.908 -11.041 0.024 1.00 0.00 N ATOM 1012 CA LYS A 210 -3.365 -10.991 0.098 1.00 0.00 C ATOM 1013 C LYS A 210 -3.991 -11.129 -1.287 1.00 0.00 C ATOM 1014 O LYS A 210 -3.357 -10.834 -2.300 1.00 0.00 O ATOM 1015 CB LYS A 210 -3.820 -9.681 0.743 1.00 0.00 C ATOM 1016 CG LYS A 210 -3.729 -9.686 2.260 1.00 0.00 C ATOM 1017 CD LYS A 210 -4.913 -10.405 2.889 1.00 0.00 C ATOM 1018 CE LYS A 210 -5.602 -9.540 3.932 1.00 0.00 C ATOM 1019 NZ LYS A 210 -6.419 -8.462 3.308 1.00 0.00 N ATOM 0 H LYS A 210 -1.437 -10.242 0.448 1.00 0.00 H new ATOM 0 HA LYS A 210 -3.697 -11.828 0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 210 -3.213 -8.864 0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 210 -4.850 -9.480 0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 210 -2.803 -10.171 2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 210 -3.689 -8.660 2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 210 -5.628 -10.679 2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 210 -4.573 -11.332 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 210 -6.241 -10.164 4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 210 -4.853 -9.095 4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 -6.619 -7.725 4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 -5.895 -8.045 2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 -7.314 -8.862 2.961 1.00 0.00 H new ATOM 1033 N GLN A 211 -5.241 -11.581 -1.321 1.00 0.00 N ATOM 1034 CA GLN A 211 -5.958 -11.761 -2.578 1.00 0.00 C ATOM 1035 C GLN A 211 -6.754 -10.510 -2.937 1.00 0.00 C ATOM 1036 O GLN A 211 -7.038 -9.675 -2.078 1.00 0.00 O ATOM 1037 CB GLN A 211 -6.895 -12.967 -2.486 1.00 0.00 C ATOM 1038 CG GLN A 211 -6.218 -14.226 -1.969 1.00 0.00 C ATOM 1039 CD GLN A 211 -5.226 -14.804 -2.960 1.00 0.00 C ATOM 1040 OE1 GLN A 211 -5.472 -15.846 -3.566 1.00 0.00 O ATOM 1041 NE2 GLN A 211 -4.096 -14.127 -3.129 1.00 0.00 N ATOM 0 H GLN A 211 -5.779 -11.830 -0.491 1.00 0.00 H new ATOM 0 HA GLN A 211 -5.223 -11.938 -3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -7.730 -12.719 -1.831 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -7.313 -13.168 -3.473 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -5.703 -14.000 -1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -6.977 -14.975 -1.741 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -3.934 -13.267 -2.605 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -3.391 -14.467 -3.783 1.00 0.00 H new ATOM 1050 N HIS A 212 -7.110 -10.386 -4.213 1.00 0.00 N ATOM 1051 CA HIS A 212 -7.874 -9.235 -4.692 1.00 0.00 C ATOM 1052 C HIS A 212 -9.069 -8.950 -3.786 1.00 0.00 C ATOM 1053 O HIS A 212 -9.152 -7.887 -3.169 1.00 0.00 O ATOM 1054 CB HIS A 212 -8.354 -9.479 -6.124 1.00 0.00 C ATOM 1055 CG HIS A 212 -9.012 -8.286 -6.745 1.00 0.00 C ATOM 1056 ND1 HIS A 212 -10.298 -7.892 -6.441 1.00 0.00 N ATOM 1057 CD2 HIS A 212 -8.555 -7.396 -7.658 1.00 0.00 C ATOM 1058 CE1 HIS A 212 -10.604 -6.813 -7.140 1.00 0.00 C ATOM 1059 NE2 HIS A 212 -9.563 -6.492 -7.886 1.00 0.00 N ATOM 0 H HIS A 212 -6.882 -11.069 -4.936 1.00 0.00 H new ATOM 0 HA HIS A 212 -7.217 -8.365 -4.675 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -7.504 -9.776 -6.738 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -9.056 -10.313 -6.126 1.00 0.00 H new ATOM 0 HD2 HIS A 212 -7.579 -7.397 -8.121 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -11.545 -6.284 -7.107 1.00 0.00 H new ATOM 0 HE2 HIS A 212 -9.515 -5.701 -8.528 1.00 0.00 H new ATOM 1068 N GLY A 213 -9.990 -9.905 -3.707 1.00 0.00 N ATOM 1069 CA GLY A 213 -11.164 -9.735 -2.872 1.00 0.00 C ATOM 1070 C GLY A 213 -10.806 -9.492 -1.420 1.00 0.00 C ATOM 1071 O GLY A 213 -11.531 -8.806 -0.700 1.00 0.00 O ATOM 0 H GLY A 213 -9.944 -10.793 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -11.753 -8.897 -3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -11.791 -10.623 -2.946 1.00 0.00 H new ATOM 1075 N ASP A 214 -9.681 -10.053 -0.992 1.00 0.00 N ATOM 1076 CA ASP A 214 -9.220 -9.891 0.380 1.00 0.00 C ATOM 1077 C ASP A 214 -8.808 -8.447 0.637 1.00 0.00 C ATOM 1078 O ASP A 214 -9.176 -7.856 1.652 1.00 0.00 O ATOM 1079 CB ASP A 214 -8.046 -10.828 0.661 1.00 0.00 C ATOM 1080 CG ASP A 214 -8.494 -12.248 0.946 1.00 0.00 C ATOM 1081 OD1 ASP A 214 -9.054 -12.889 0.032 1.00 0.00 O ATOM 1082 OD2 ASP A 214 -8.283 -12.720 2.083 1.00 0.00 O ATOM 0 H ASP A 214 -9.071 -10.625 -1.577 1.00 0.00 H new ATOM 0 HA ASP A 214 -10.041 -10.145 1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 214 -7.372 -10.828 -0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 214 -7.480 -10.451 1.513 1.00 0.00 H new ATOM 1087 N VAL A 215 -8.049 -7.882 -0.296 1.00 0.00 N ATOM 1088 CA VAL A 215 -7.595 -6.503 -0.179 1.00 0.00 C ATOM 1089 C VAL A 215 -8.759 -5.541 -0.375 1.00 0.00 C ATOM 1090 O VAL A 215 -8.845 -4.507 0.287 1.00 0.00 O ATOM 1091 CB VAL A 215 -6.494 -6.181 -1.208 1.00 0.00 C ATOM 1092 CG1 VAL A 215 -5.925 -4.790 -0.970 1.00 0.00 C ATOM 1093 CG2 VAL A 215 -5.393 -7.230 -1.155 1.00 0.00 C ATOM 0 H VAL A 215 -7.736 -8.359 -1.142 1.00 0.00 H new ATOM 0 HA VAL A 215 -7.182 -6.382 0.822 1.00 0.00 H new ATOM 0 HB VAL A 215 -6.938 -6.199 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 215 -5.149 -4.583 -1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 215 -6.721 -4.051 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 215 -5.497 -4.738 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 215 -4.624 -6.987 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 215 -4.953 -7.245 -0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 215 -5.813 -8.210 -1.381 1.00 0.00 H new ATOM 1103 N VAL A 216 -9.659 -5.898 -1.285 1.00 0.00 N ATOM 1104 CA VAL A 216 -10.828 -5.079 -1.568 1.00 0.00 C ATOM 1105 C VAL A 216 -11.795 -5.096 -0.389 1.00 0.00 C ATOM 1106 O VAL A 216 -12.350 -4.064 -0.011 1.00 0.00 O ATOM 1107 CB VAL A 216 -11.561 -5.570 -2.832 1.00 0.00 C ATOM 1108 CG1 VAL A 216 -12.727 -4.653 -3.171 1.00 0.00 C ATOM 1109 CG2 VAL A 216 -10.594 -5.670 -4.002 1.00 0.00 C ATOM 0 H VAL A 216 -9.599 -6.752 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 216 -10.478 -4.060 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 216 -11.962 -6.564 -2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 216 -13.229 -5.019 -4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 216 -13.432 -4.638 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 216 -12.356 -3.644 -3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 216 -11.128 -6.018 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 216 -10.162 -4.690 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 216 -9.799 -6.374 -3.758 1.00 0.00 H new ATOM 1119 N SER A 217 -11.986 -6.276 0.193 1.00 0.00 N ATOM 1120 CA SER A 217 -12.880 -6.431 1.333 1.00 0.00 C ATOM 1121 C SER A 217 -12.270 -5.812 2.587 1.00 0.00 C ATOM 1122 O SER A 217 -12.982 -5.287 3.443 1.00 0.00 O ATOM 1123 CB SER A 217 -13.179 -7.911 1.577 1.00 0.00 C ATOM 1124 OG SER A 217 -13.853 -8.485 0.470 1.00 0.00 O ATOM 0 H SER A 217 -11.533 -7.139 -0.107 1.00 0.00 H new ATOM 0 HA SER A 217 -13.811 -5.912 1.106 1.00 0.00 H new ATOM 0 HB2 SER A 217 -12.248 -8.448 1.758 1.00 0.00 H new ATOM 0 HB3 SER A 217 -13.789 -8.019 2.474 1.00 0.00 H new ATOM 0 HG SER A 217 -13.196 -8.796 -0.188 1.00 0.00 H new ATOM 1130 N ALA A 218 -10.946 -5.879 2.686 1.00 0.00 N ATOM 1131 CA ALA A 218 -10.236 -5.326 3.832 1.00 0.00 C ATOM 1132 C ALA A 218 -10.501 -3.831 3.974 1.00 0.00 C ATOM 1133 O ALA A 218 -10.827 -3.348 5.059 1.00 0.00 O ATOM 1134 CB ALA A 218 -8.743 -5.588 3.704 1.00 0.00 C ATOM 0 H ALA A 218 -10.344 -6.311 1.985 1.00 0.00 H new ATOM 0 HA ALA A 218 -10.606 -5.821 4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 218 -8.225 -5.170 4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 218 -8.565 -6.662 3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 218 -8.368 -5.120 2.794 1.00 0.00 H new ATOM 1140 N ILE A 219 -10.359 -3.102 2.872 1.00 0.00 N ATOM 1141 CA ILE A 219 -10.583 -1.661 2.873 1.00 0.00 C ATOM 1142 C ILE A 219 -12.027 -1.334 3.239 1.00 0.00 C ATOM 1143 O ILE A 219 -12.294 -0.361 3.945 1.00 0.00 O ATOM 1144 CB ILE A 219 -10.254 -1.038 1.502 1.00 0.00 C ATOM 1145 CG1 ILE A 219 -8.822 -1.388 1.088 1.00 0.00 C ATOM 1146 CG2 ILE A 219 -10.446 0.472 1.541 1.00 0.00 C ATOM 1147 CD1 ILE A 219 -7.764 -0.721 1.941 1.00 0.00 C ATOM 0 H ILE A 219 -10.090 -3.486 1.966 1.00 0.00 H new ATOM 0 HA ILE A 219 -9.915 -1.235 3.622 1.00 0.00 H new ATOM 0 HB ILE A 219 -10.939 -1.451 0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -8.691 -2.469 1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -8.673 -1.100 0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -10.209 0.894 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -11.481 0.701 1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -9.785 0.903 2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -6.775 -1.015 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -7.868 0.362 1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 219 -7.887 -1.029 2.979 1.00 0.00 H new ATOM 1159 N ARG A 220 -12.954 -2.152 2.755 1.00 0.00 N ATOM 1160 CA ARG A 220 -14.371 -1.950 3.033 1.00 0.00 C ATOM 1161 C ARG A 220 -14.675 -2.211 4.504 1.00 0.00 C ATOM 1162 O ARG A 220 -15.502 -1.529 5.109 1.00 0.00 O ATOM 1163 CB ARG A 220 -15.221 -2.868 2.153 1.00 0.00 C ATOM 1164 CG ARG A 220 -16.686 -2.468 2.096 1.00 0.00 C ATOM 1165 CD ARG A 220 -17.525 -3.526 1.397 1.00 0.00 C ATOM 1166 NE ARG A 220 -17.236 -4.870 1.892 1.00 0.00 N ATOM 1167 CZ ARG A 220 -17.699 -5.352 3.043 1.00 0.00 C ATOM 1168 NH1 ARG A 220 -18.469 -4.603 3.822 1.00 0.00 N ATOM 1169 NH2 ARG A 220 -17.391 -6.587 3.416 1.00 0.00 N ATOM 0 H ARG A 220 -12.750 -2.961 2.168 1.00 0.00 H new ATOM 0 HA ARG A 220 -14.618 -0.913 2.806 1.00 0.00 H new ATOM 0 HB2 ARG A 220 -14.813 -2.869 1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 220 -15.146 -3.889 2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 220 -17.062 -2.314 3.107 1.00 0.00 H new ATOM 0 HG3 ARG A 220 -16.785 -1.518 1.571 1.00 0.00 H new ATOM 0 HD2 ARG A 220 -18.582 -3.305 1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 220 -17.337 -3.487 0.324 1.00 0.00 H new ATOM 0 HE ARG A 220 -16.645 -5.475 1.322 1.00 0.00 H new ATOM 0 HH11 ARG A 220 -18.709 -3.653 3.540 1.00 0.00 H new ATOM 0 HH12 ARG A 220 -18.821 -4.978 4.703 1.00 0.00 H new ATOM 0 HH21 ARG A 220 -16.800 -7.167 2.821 1.00 0.00 H new ATOM 0 HH22 ARG A 220 -17.746 -6.957 4.298 1.00 0.00 H new ATOM 1183 N ALA A 221 -13.998 -3.203 5.073 1.00 0.00 N ATOM 1184 CA ALA A 221 -14.190 -3.559 6.473 1.00 0.00 C ATOM 1185 C ALA A 221 -13.326 -2.700 7.397 1.00 0.00 C ATOM 1186 O ALA A 221 -13.285 -2.927 8.606 1.00 0.00 O ATOM 1187 CB ALA A 221 -13.884 -5.034 6.685 1.00 0.00 C ATOM 0 H ALA A 221 -13.310 -3.776 4.584 1.00 0.00 H new ATOM 0 HA ALA A 221 -15.233 -3.369 6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -14.031 -5.289 7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -14.551 -5.636 6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -12.850 -5.235 6.404 1.00 0.00 H new ATOM 1193 N GLY A 222 -12.634 -1.716 6.825 1.00 0.00 N ATOM 1194 CA GLY A 222 -11.783 -0.850 7.622 1.00 0.00 C ATOM 1195 C GLY A 222 -12.536 0.313 8.246 1.00 0.00 C ATOM 1196 O GLY A 222 -11.924 1.231 8.791 1.00 0.00 O ATOM 0 H GLY A 222 -12.648 -1.504 5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -11.314 -1.437 8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -10.981 -0.461 6.995 1.00 0.00 H new ATOM 1200 N GLY A 223 -13.864 0.278 8.169 1.00 0.00 N ATOM 1201 CA GLY A 223 -14.670 1.345 8.739 1.00 0.00 C ATOM 1202 C GLY A 223 -14.211 2.725 8.305 1.00 0.00 C ATOM 1203 O GLY A 223 -14.047 2.986 7.114 1.00 0.00 O ATOM 0 H GLY A 223 -14.396 -0.469 7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -15.710 1.204 8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -14.634 1.280 9.826 1.00 0.00 H new ATOM 1207 N ASP A 224 -14.004 3.609 9.276 1.00 0.00 N ATOM 1208 CA ASP A 224 -13.563 4.969 8.990 1.00 0.00 C ATOM 1209 C ASP A 224 -12.041 5.074 9.032 1.00 0.00 C ATOM 1210 O ASP A 224 -11.454 5.951 8.400 1.00 0.00 O ATOM 1211 CB ASP A 224 -14.180 5.947 9.992 1.00 0.00 C ATOM 1212 CG ASP A 224 -15.692 5.996 9.895 1.00 0.00 C ATOM 1213 OD1 ASP A 224 -16.347 5.031 10.342 1.00 0.00 O ATOM 1214 OD2 ASP A 224 -16.221 6.998 9.371 1.00 0.00 O ATOM 0 H ASP A 224 -14.135 3.408 10.267 1.00 0.00 H new ATOM 0 HA ASP A 224 -13.897 5.226 7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 224 -13.893 5.657 11.003 1.00 0.00 H new ATOM 0 HB3 ASP A 224 -13.775 6.944 9.819 1.00 0.00 H new ATOM 1219 N GLU A 225 -11.407 4.175 9.779 1.00 0.00 N ATOM 1220 CA GLU A 225 -9.953 4.171 9.898 1.00 0.00 C ATOM 1221 C GLU A 225 -9.351 2.992 9.140 1.00 0.00 C ATOM 1222 O GLU A 225 -9.616 1.834 9.462 1.00 0.00 O ATOM 1223 CB GLU A 225 -9.541 4.110 11.370 1.00 0.00 C ATOM 1224 CG GLU A 225 -8.046 4.278 11.591 1.00 0.00 C ATOM 1225 CD GLU A 225 -7.671 4.289 13.060 1.00 0.00 C ATOM 1226 OE1 GLU A 225 -8.079 5.231 13.770 1.00 0.00 O ATOM 1227 OE2 GLU A 225 -6.969 3.354 13.500 1.00 0.00 O ATOM 0 H GLU A 225 -11.876 3.441 10.310 1.00 0.00 H new ATOM 0 HA GLU A 225 -9.574 5.094 9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 225 -10.071 4.888 11.919 1.00 0.00 H new ATOM 0 HB3 GLU A 225 -9.856 3.154 11.788 1.00 0.00 H new ATOM 0 HG2 GLU A 225 -7.515 3.468 11.090 1.00 0.00 H new ATOM 0 HG3 GLU A 225 -7.717 5.209 11.129 1.00 0.00 H new ATOM 1234 N THR A 226 -8.544 3.293 8.128 1.00 0.00 N ATOM 1235 CA THR A 226 -7.912 2.255 7.322 1.00 0.00 C ATOM 1236 C THR A 226 -6.399 2.243 7.515 1.00 0.00 C ATOM 1237 O THR A 226 -5.674 2.997 6.866 1.00 0.00 O ATOM 1238 CB THR A 226 -8.244 2.458 5.843 1.00 0.00 C ATOM 1239 OG1 THR A 226 -9.594 2.856 5.682 1.00 0.00 O ATOM 1240 CG2 THR A 226 -8.028 1.216 5.005 1.00 0.00 C ATOM 0 H THR A 226 -8.312 4.246 7.847 1.00 0.00 H new ATOM 0 HA THR A 226 -8.304 1.293 7.653 1.00 0.00 H new ATOM 0 HB THR A 226 -7.560 3.233 5.497 1.00 0.00 H new ATOM 0 HG1 THR A 226 -9.786 2.982 4.729 1.00 0.00 H new ATOM 0 HG21 THR A 226 -8.282 1.429 3.967 1.00 0.00 H new ATOM 0 HG22 THR A 226 -6.983 0.912 5.068 1.00 0.00 H new ATOM 0 HG23 THR A 226 -8.663 0.412 5.376 1.00 0.00 H new ATOM 1248 N LYS A 227 -5.928 1.373 8.403 1.00 0.00 N ATOM 1249 CA LYS A 227 -4.500 1.250 8.674 1.00 0.00 C ATOM 1250 C LYS A 227 -3.826 0.441 7.573 1.00 0.00 C ATOM 1251 O LYS A 227 -3.879 -0.789 7.574 1.00 0.00 O ATOM 1252 CB LYS A 227 -4.268 0.579 10.031 1.00 0.00 C ATOM 1253 CG LYS A 227 -5.235 1.034 11.112 1.00 0.00 C ATOM 1254 CD LYS A 227 -4.903 0.406 12.456 1.00 0.00 C ATOM 1255 CE LYS A 227 -3.516 0.807 12.931 1.00 0.00 C ATOM 1256 NZ LYS A 227 -3.232 0.304 14.304 1.00 0.00 N ATOM 0 H LYS A 227 -6.516 0.742 8.948 1.00 0.00 H new ATOM 0 HA LYS A 227 -4.065 2.249 8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 227 -4.353 -0.501 9.911 1.00 0.00 H new ATOM 0 HB3 LYS A 227 -3.249 0.784 10.358 1.00 0.00 H new ATOM 0 HG2 LYS A 227 -5.201 2.120 11.198 1.00 0.00 H new ATOM 0 HG3 LYS A 227 -6.253 0.768 10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 227 -5.644 0.712 13.195 1.00 0.00 H new ATOM 0 HD3 LYS A 227 -4.962 -0.679 12.376 1.00 0.00 H new ATOM 0 HE2 LYS A 227 -2.769 0.417 12.240 1.00 0.00 H new ATOM 0 HE3 LYS A 227 -3.427 1.893 12.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 -2.277 0.599 14.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 -3.929 0.696 14.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 -3.291 -0.734 14.313 1.00 0.00 H new ATOM 1270 N LEU A 228 -3.210 1.136 6.625 1.00 0.00 N ATOM 1271 CA LEU A 228 -2.546 0.475 5.508 1.00 0.00 C ATOM 1272 C LEU A 228 -1.027 0.526 5.638 1.00 0.00 C ATOM 1273 O LEU A 228 -0.445 1.586 5.866 1.00 0.00 O ATOM 1274 CB LEU A 228 -2.970 1.121 4.189 1.00 0.00 C ATOM 1275 CG LEU A 228 -4.481 1.230 3.978 1.00 0.00 C ATOM 1276 CD1 LEU A 228 -4.791 2.121 2.786 1.00 0.00 C ATOM 1277 CD2 LEU A 228 -5.092 -0.150 3.788 1.00 0.00 C ATOM 0 H LEU A 228 -3.156 2.154 6.607 1.00 0.00 H new ATOM 0 HA LEU A 228 -2.849 -0.572 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -2.538 2.120 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -2.544 0.546 3.367 1.00 0.00 H new ATOM 0 HG LEU A 228 -4.922 1.682 4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -5.871 2.186 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -4.386 3.118 2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -4.339 1.699 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -6.168 -0.054 3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -4.646 -0.628 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -4.901 -0.758 4.673 1.00 0.00 H new ATOM 1289 N LEU A 229 -0.393 -0.630 5.466 1.00 0.00 N ATOM 1290 CA LEU A 229 1.061 -0.731 5.535 1.00 0.00 C ATOM 1291 C LEU A 229 1.608 -1.153 4.178 1.00 0.00 C ATOM 1292 O LEU A 229 1.405 -2.287 3.746 1.00 0.00 O ATOM 1293 CB LEU A 229 1.479 -1.742 6.606 1.00 0.00 C ATOM 1294 CG LEU A 229 2.959 -1.709 6.992 1.00 0.00 C ATOM 1295 CD1 LEU A 229 3.235 -0.576 7.970 1.00 0.00 C ATOM 1296 CD2 LEU A 229 3.383 -3.046 7.584 1.00 0.00 C ATOM 0 H LEU A 229 -0.866 -1.514 5.277 1.00 0.00 H new ATOM 0 HA LEU A 229 1.470 0.243 5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 229 0.883 -1.566 7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 229 1.235 -2.744 6.252 1.00 0.00 H new ATOM 0 HG LEU A 229 3.546 -1.529 6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 229 4.293 -0.571 8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 229 2.970 0.375 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 229 2.639 -0.720 8.871 1.00 0.00 H new ATOM 0 HD21 LEU A 229 4.438 -3.006 7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 229 2.789 -3.255 8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 229 3.226 -3.836 6.849 1.00 0.00 H new ATOM 1308 N VAL A 230 2.283 -0.234 3.496 1.00 0.00 N ATOM 1309 CA VAL A 230 2.829 -0.522 2.176 1.00 0.00 C ATOM 1310 C VAL A 230 4.353 -0.608 2.192 1.00 0.00 C ATOM 1311 O VAL A 230 4.989 -0.390 3.223 1.00 0.00 O ATOM 1312 CB VAL A 230 2.394 0.542 1.151 1.00 0.00 C ATOM 1313 CG1 VAL A 230 0.878 0.593 1.048 1.00 0.00 C ATOM 1314 CG2 VAL A 230 2.957 1.908 1.521 1.00 0.00 C ATOM 0 H VAL A 230 2.464 0.711 3.833 1.00 0.00 H new ATOM 0 HA VAL A 230 2.431 -1.493 1.883 1.00 0.00 H new ATOM 0 HB VAL A 230 2.794 0.264 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 230 0.588 1.350 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 230 0.502 -0.379 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 230 0.456 0.845 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 230 2.638 2.645 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 230 2.591 2.198 2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 230 4.046 1.860 1.538 1.00 0.00 H new ATOM 1324 N VAL A 231 4.929 -0.931 1.036 1.00 0.00 N ATOM 1325 CA VAL A 231 6.377 -1.051 0.903 1.00 0.00 C ATOM 1326 C VAL A 231 6.897 -0.185 -0.243 1.00 0.00 C ATOM 1327 O VAL A 231 6.132 0.246 -1.105 1.00 0.00 O ATOM 1328 CB VAL A 231 6.803 -2.514 0.657 1.00 0.00 C ATOM 1329 CG1 VAL A 231 8.299 -2.681 0.872 1.00 0.00 C ATOM 1330 CG2 VAL A 231 6.022 -3.460 1.557 1.00 0.00 C ATOM 0 H VAL A 231 4.412 -1.115 0.176 1.00 0.00 H new ATOM 0 HA VAL A 231 6.809 -0.708 1.843 1.00 0.00 H new ATOM 0 HB VAL A 231 6.577 -2.765 -0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 231 8.579 -3.719 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 231 8.840 -2.035 0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 231 8.552 -2.408 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 231 6.338 -4.486 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 231 6.212 -3.209 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 231 4.956 -3.364 1.349 1.00 0.00 H new ATOM 1340 N ASP A 232 8.203 0.066 -0.242 1.00 0.00 N ATOM 1341 CA ASP A 232 8.831 0.882 -1.277 1.00 0.00 C ATOM 1342 C ASP A 232 9.084 0.071 -2.542 1.00 0.00 C ATOM 1343 O ASP A 232 9.911 -0.841 -2.555 1.00 0.00 O ATOM 1344 CB ASP A 232 10.149 1.465 -0.765 1.00 0.00 C ATOM 1345 CG ASP A 232 10.778 2.432 -1.750 1.00 0.00 C ATOM 1346 OD1 ASP A 232 10.309 2.493 -2.906 1.00 0.00 O ATOM 1347 OD2 ASP A 232 11.742 3.127 -1.365 1.00 0.00 O ATOM 0 H ASP A 232 8.848 -0.285 0.466 1.00 0.00 H new ATOM 0 HA ASP A 232 8.147 1.695 -1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 232 9.973 1.978 0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 232 10.847 0.653 -0.562 1.00 0.00 H new ATOM 1352 N ARG A 233 8.372 0.419 -3.608 1.00 0.00 N ATOM 1353 CA ARG A 233 8.522 -0.264 -4.886 1.00 0.00 C ATOM 1354 C ARG A 233 9.405 0.547 -5.826 1.00 0.00 C ATOM 1355 O ARG A 233 10.063 -0.005 -6.708 1.00 0.00 O ATOM 1356 CB ARG A 233 7.156 -0.497 -5.531 1.00 0.00 C ATOM 1357 CG ARG A 233 7.214 -1.343 -6.792 1.00 0.00 C ATOM 1358 CD ARG A 233 5.975 -1.147 -7.650 1.00 0.00 C ATOM 1359 NE ARG A 233 6.248 -1.375 -9.067 1.00 0.00 N ATOM 1360 CZ ARG A 233 5.509 -0.875 -10.056 1.00 0.00 C ATOM 1361 NH1 ARG A 233 4.448 -0.123 -9.788 1.00 0.00 N ATOM 1362 NH2 ARG A 233 5.831 -1.129 -11.317 1.00 0.00 N ATOM 0 H ARG A 233 7.684 1.172 -3.611 1.00 0.00 H new ATOM 0 HA ARG A 233 8.996 -1.228 -4.702 1.00 0.00 H new ATOM 0 HB2 ARG A 233 6.500 -0.982 -4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 233 6.708 0.467 -5.771 1.00 0.00 H new ATOM 0 HG2 ARG A 233 8.102 -1.080 -7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 233 7.309 -2.395 -6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 233 5.192 -1.829 -7.317 1.00 0.00 H new ATOM 0 HD3 ARG A 233 5.595 -0.135 -7.512 1.00 0.00 H new ATOM 0 HE ARG A 233 7.053 -1.951 -9.314 1.00 0.00 H new ATOM 0 HH11 ARG A 233 4.195 0.075 -8.820 1.00 0.00 H new ATOM 0 HH12 ARG A 233 3.886 0.257 -10.550 1.00 0.00 H new ATOM 0 HH21 ARG A 233 6.644 -1.707 -11.529 1.00 0.00 H new ATOM 0 HH22 ARG A 233 5.265 -0.746 -12.075 1.00 0.00 H new