USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=18 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 177 GLN : amide:sc= -3.87 K(o=-4,f=-7.7!) USER MOD Set 1.2: A 212 HIS : no HD1:sc= -0.147 K(o=-4,f=-5.9) USER MOD Set 2.1: A 173 SER OG : rot 180:sc= 0.0339 USER MOD Set 2.2: A 211 GLN : amide:sc= -1.38 K(o=-1.3,f=-0.0092) USER MOD Set 3.1: A 164 TYR OH : rot 70:sc= -1.65! USER MOD Set 3.2: A 226 THR OG1 : rot -178:sc= 0.518 USER MOD Set 4.1: A 155 CYS SG : rot 80:sc= -1.35 USER MOD Set 4.2: A 157 MET CE :methyl 156:sc= -4.17! (180deg=-5.05!) USER MOD Set 4.3: A 191 SER OG : rot -99:sc= 0.969 USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 LYS NZ :NH3+ 152:sc= -0.419 (180deg=-1.6!) USER MOD Single : A 162 SER OG : rot -150:sc= -0.209 USER MOD Single : A 167 ASN : amide:sc= -2.87 K(o=-2.9,f=-3.9!) USER MOD Single : A 169 HIS : no HE2:sc= -2.18 X(o=-2.2,f=-2.1) USER MOD Single : A 170 SER OG : rot 101:sc= 1.09 USER MOD Single : A 172 LYS NZ :NH3+ 140:sc= -0.511 (180deg=-3.24!) USER MOD Single : A 174 LYS NZ :NH3+ 151:sc= -0.0557 (180deg=-0.604) USER MOD Single : A 181 SER OG : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot -144:sc= -2.25 USER MOD Single : A 196 GLN : amide:sc=-0.00318 K(o=-0.0032,f=-1.3) USER MOD Single : A 203 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.23) USER MOD Single : A 206 CYS SG : rot 180:sc= -1.09 USER MOD Single : A 207 MET CE :methyl 148:sc= -0.155 (180deg=-1.06) USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 217 SER OG : rot 80:sc= 1.22 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N ARG A 151 12.447 -0.936 3.782 1.00 0.00 N ATOM 126 CA ARG A 151 11.589 -1.020 4.972 1.00 0.00 C ATOM 127 C ARG A 151 10.119 -0.732 4.649 1.00 0.00 C ATOM 128 O ARG A 151 9.814 0.124 3.817 1.00 0.00 O ATOM 129 CB ARG A 151 12.080 -0.042 6.043 1.00 0.00 C ATOM 130 CG ARG A 151 11.805 1.420 5.714 1.00 0.00 C ATOM 131 CD ARG A 151 11.862 2.297 6.955 1.00 0.00 C ATOM 132 NE ARG A 151 10.566 2.892 7.267 1.00 0.00 N ATOM 133 CZ ARG A 151 10.408 3.953 8.055 1.00 0.00 C ATOM 134 NH1 ARG A 151 11.462 4.542 8.608 1.00 0.00 N ATOM 135 NH2 ARG A 151 9.192 4.428 8.290 1.00 0.00 N ATOM 0 HA ARG A 151 11.652 -2.043 5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 151 11.603 -0.287 6.992 1.00 0.00 H new ATOM 0 HB3 ARG A 151 13.153 -0.178 6.181 1.00 0.00 H new ATOM 0 HG2 ARG A 151 12.535 1.773 4.986 1.00 0.00 H new ATOM 0 HG3 ARG A 151 10.823 1.510 5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 151 12.201 1.702 7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 151 12.597 3.088 6.806 1.00 0.00 H new ATOM 0 HE ARG A 151 9.733 2.470 6.857 1.00 0.00 H new ATOM 0 HH11 ARG A 151 12.399 4.182 8.430 1.00 0.00 H new ATOM 0 HH12 ARG A 151 11.334 5.355 9.211 1.00 0.00 H new ATOM 0 HH21 ARG A 151 8.379 3.980 7.867 1.00 0.00 H new ATOM 0 HH22 ARG A 151 9.070 5.241 8.894 1.00 0.00 H new ATOM 149 N PRO A 152 9.187 -1.439 5.312 1.00 0.00 N ATOM 150 CA PRO A 152 7.750 -1.248 5.095 1.00 0.00 C ATOM 151 C PRO A 152 7.259 0.080 5.661 1.00 0.00 C ATOM 152 O PRO A 152 7.717 0.523 6.714 1.00 0.00 O ATOM 153 CB PRO A 152 7.118 -2.419 5.848 1.00 0.00 C ATOM 154 CG PRO A 152 8.102 -2.755 6.914 1.00 0.00 C ATOM 155 CD PRO A 152 9.459 -2.473 6.329 1.00 0.00 C ATOM 0 HA PRO A 152 7.494 -1.222 4.036 1.00 0.00 H new ATOM 0 HB2 PRO A 152 6.153 -2.143 6.272 1.00 0.00 H new ATOM 0 HB3 PRO A 152 6.944 -3.268 5.187 1.00 0.00 H new ATOM 0 HG2 PRO A 152 7.930 -2.155 7.807 1.00 0.00 H new ATOM 0 HG3 PRO A 152 8.014 -3.800 7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 152 10.157 -2.117 7.087 1.00 0.00 H new ATOM 0 HD3 PRO A 152 9.899 -3.366 5.886 1.00 0.00 H new ATOM 163 N ARG A 153 6.330 0.715 4.955 1.00 0.00 N ATOM 164 CA ARG A 153 5.786 1.995 5.392 1.00 0.00 C ATOM 165 C ARG A 153 4.358 1.838 5.905 1.00 0.00 C ATOM 166 O ARG A 153 3.567 1.077 5.348 1.00 0.00 O ATOM 167 CB ARG A 153 5.821 3.005 4.244 1.00 0.00 C ATOM 168 CG ARG A 153 7.192 3.624 4.023 1.00 0.00 C ATOM 169 CD ARG A 153 7.215 4.509 2.787 1.00 0.00 C ATOM 170 NE ARG A 153 6.480 5.755 2.992 1.00 0.00 N ATOM 171 CZ ARG A 153 6.622 6.835 2.227 1.00 0.00 C ATOM 172 NH1 ARG A 153 7.467 6.825 1.203 1.00 0.00 N ATOM 173 NH2 ARG A 153 5.916 7.926 2.486 1.00 0.00 N ATOM 0 H ARG A 153 5.939 0.365 4.080 1.00 0.00 H new ATOM 0 HA ARG A 153 6.405 2.362 6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 153 5.502 2.511 3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 153 5.101 3.798 4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 153 7.471 4.212 4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 153 7.936 2.834 3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 153 8.248 4.737 2.523 1.00 0.00 H new ATOM 0 HD3 ARG A 153 6.783 3.968 1.945 1.00 0.00 H new ATOM 0 HE ARG A 153 5.819 5.800 3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 153 8.011 5.987 0.999 1.00 0.00 H new ATOM 0 HH12 ARG A 153 7.572 7.655 0.620 1.00 0.00 H new ATOM 0 HH21 ARG A 153 5.265 7.938 3.271 1.00 0.00 H new ATOM 0 HH22 ARG A 153 6.024 8.754 1.901 1.00 0.00 H new ATOM 187 N LEU A 154 4.036 2.566 6.969 1.00 0.00 N ATOM 188 CA LEU A 154 2.704 2.512 7.559 1.00 0.00 C ATOM 189 C LEU A 154 1.858 3.685 7.078 1.00 0.00 C ATOM 190 O LEU A 154 2.318 4.827 7.055 1.00 0.00 O ATOM 191 CB LEU A 154 2.798 2.522 9.087 1.00 0.00 C ATOM 192 CG LEU A 154 1.458 2.595 9.824 1.00 0.00 C ATOM 193 CD1 LEU A 154 0.645 1.333 9.582 1.00 0.00 C ATOM 194 CD2 LEU A 154 1.682 2.807 11.314 1.00 0.00 C ATOM 0 H LEU A 154 4.680 3.201 7.441 1.00 0.00 H new ATOM 0 HA LEU A 154 2.225 1.585 7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.322 1.622 9.408 1.00 0.00 H new ATOM 0 HB3 LEU A 154 3.408 3.372 9.392 1.00 0.00 H new ATOM 0 HG LEU A 154 0.897 3.444 9.434 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -0.304 1.404 10.114 1.00 0.00 H new ATOM 0 HD12 LEU A 154 0.455 1.222 8.514 1.00 0.00 H new ATOM 0 HD13 LEU A 154 1.200 0.468 9.944 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.720 2.857 11.823 1.00 0.00 H new ATOM 0 HD22 LEU A 154 2.263 1.977 11.716 1.00 0.00 H new ATOM 0 HD23 LEU A 154 2.224 3.739 11.471 1.00 0.00 H new ATOM 206 N CYS A 155 0.621 3.397 6.691 1.00 0.00 N ATOM 207 CA CYS A 155 -0.284 4.431 6.207 1.00 0.00 C ATOM 208 C CYS A 155 -1.632 4.358 6.915 1.00 0.00 C ATOM 209 O CYS A 155 -2.163 3.274 7.157 1.00 0.00 O ATOM 210 CB CYS A 155 -0.481 4.298 4.694 1.00 0.00 C ATOM 211 SG CYS A 155 -1.651 5.486 3.992 1.00 0.00 S ATOM 0 H CYS A 155 0.223 2.458 6.703 1.00 0.00 H new ATOM 0 HA CYS A 155 0.165 5.400 6.426 1.00 0.00 H new ATOM 0 HB2 CYS A 155 0.483 4.420 4.201 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -0.827 3.289 4.471 1.00 0.00 H new ATOM 0 HG CYS A 155 -1.061 6.634 3.833 1.00 0.00 H new ATOM 217 N THR A 156 -2.182 5.523 7.235 1.00 0.00 N ATOM 218 CA THR A 156 -3.472 5.604 7.905 1.00 0.00 C ATOM 219 C THR A 156 -4.368 6.615 7.199 1.00 0.00 C ATOM 220 O THR A 156 -4.206 7.824 7.366 1.00 0.00 O ATOM 221 CB THR A 156 -3.287 5.996 9.372 1.00 0.00 C ATOM 222 OG1 THR A 156 -2.301 5.186 9.987 1.00 0.00 O ATOM 223 CG2 THR A 156 -4.556 5.874 10.188 1.00 0.00 C ATOM 0 H THR A 156 -1.752 6.427 7.040 1.00 0.00 H new ATOM 0 HA THR A 156 -3.948 4.624 7.865 1.00 0.00 H new ATOM 0 HB THR A 156 -2.984 7.043 9.356 1.00 0.00 H new ATOM 0 HG1 THR A 156 -2.196 5.453 10.924 1.00 0.00 H new ATOM 0 HG21 THR A 156 -4.355 6.167 11.219 1.00 0.00 H new ATOM 0 HG22 THR A 156 -5.323 6.525 9.768 1.00 0.00 H new ATOM 0 HG23 THR A 156 -4.905 4.842 10.166 1.00 0.00 H new ATOM 231 N MET A 157 -5.305 6.115 6.401 1.00 0.00 N ATOM 232 CA MET A 157 -6.215 6.981 5.662 1.00 0.00 C ATOM 233 C MET A 157 -7.632 6.891 6.214 1.00 0.00 C ATOM 234 O MET A 157 -8.124 5.806 6.523 1.00 0.00 O ATOM 235 CB MET A 157 -6.209 6.617 4.175 1.00 0.00 C ATOM 236 CG MET A 157 -6.235 5.120 3.909 1.00 0.00 C ATOM 237 SD MET A 157 -6.135 4.726 2.152 1.00 0.00 S ATOM 238 CE MET A 157 -4.365 4.542 1.947 1.00 0.00 C ATOM 0 H MET A 157 -5.454 5.117 6.250 1.00 0.00 H new ATOM 0 HA MET A 157 -5.867 8.007 5.779 1.00 0.00 H new ATOM 0 HB2 MET A 157 -7.073 7.077 3.695 1.00 0.00 H new ATOM 0 HB3 MET A 157 -5.320 7.044 3.710 1.00 0.00 H new ATOM 0 HG2 MET A 157 -5.403 4.647 4.431 1.00 0.00 H new ATOM 0 HG3 MET A 157 -7.151 4.697 4.321 1.00 0.00 H new ATOM 0 HE1 MET A 157 -4.163 3.907 1.084 1.00 0.00 H new ATOM 0 HE2 MET A 157 -3.913 5.522 1.791 1.00 0.00 H new ATOM 0 HE3 MET A 157 -3.941 4.085 2.841 1.00 0.00 H new ATOM 248 N LYS A 158 -8.283 8.043 6.331 1.00 0.00 N ATOM 249 CA LYS A 158 -9.646 8.104 6.841 1.00 0.00 C ATOM 250 C LYS A 158 -10.643 8.240 5.696 1.00 0.00 C ATOM 251 O LYS A 158 -10.605 9.209 4.938 1.00 0.00 O ATOM 252 CB LYS A 158 -9.800 9.279 7.808 1.00 0.00 C ATOM 253 CG LYS A 158 -9.086 9.074 9.135 1.00 0.00 C ATOM 254 CD LYS A 158 -9.007 10.367 9.930 1.00 0.00 C ATOM 255 CE LYS A 158 -7.680 11.076 9.710 1.00 0.00 C ATOM 256 NZ LYS A 158 -7.194 11.740 10.950 1.00 0.00 N ATOM 0 H LYS A 158 -7.887 8.949 6.079 1.00 0.00 H new ATOM 0 HA LYS A 158 -9.852 7.176 7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -9.415 10.182 7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -10.860 9.446 7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -9.611 8.318 9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -8.080 8.695 8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -9.825 11.025 9.638 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -9.134 10.151 10.991 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -6.936 10.356 9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -7.792 11.819 8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -6.287 12.212 10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -7.892 12.445 11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -7.063 11.028 11.697 1.00 0.00 H new ATOM 270 N LYS A 159 -11.533 7.260 5.575 1.00 0.00 N ATOM 271 CA LYS A 159 -12.543 7.263 4.522 1.00 0.00 C ATOM 272 C LYS A 159 -13.300 8.592 4.494 1.00 0.00 C ATOM 273 O LYS A 159 -12.980 9.479 3.705 1.00 0.00 O ATOM 274 CB LYS A 159 -13.511 6.090 4.725 1.00 0.00 C ATOM 275 CG LYS A 159 -14.737 6.124 3.822 1.00 0.00 C ATOM 276 CD LYS A 159 -14.419 5.610 2.427 1.00 0.00 C ATOM 277 CE LYS A 159 -14.923 4.189 2.227 1.00 0.00 C ATOM 278 NZ LYS A 159 -16.352 4.046 2.620 1.00 0.00 N ATOM 0 H LYS A 159 -11.575 6.451 6.195 1.00 0.00 H new ATOM 0 HA LYS A 159 -12.044 7.145 3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -12.974 5.157 4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -13.840 6.082 5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -15.530 5.519 4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -15.114 7.145 3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -14.873 6.266 1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -13.342 5.641 2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -14.804 3.905 1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -14.314 3.502 2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -16.789 3.280 2.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -16.412 3.820 3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -16.854 4.937 2.433 1.00 0.00 H new ATOM 292 N GLY A 160 -14.302 8.724 5.357 1.00 0.00 N ATOM 293 CA GLY A 160 -15.079 9.948 5.404 1.00 0.00 C ATOM 294 C GLY A 160 -15.755 10.254 4.079 1.00 0.00 C ATOM 295 O GLY A 160 -15.988 9.349 3.278 1.00 0.00 O ATOM 0 H GLY A 160 -14.589 8.007 6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -15.835 9.866 6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -14.428 10.778 5.677 1.00 0.00 H new ATOM 299 N PRO A 161 -16.086 11.530 3.818 1.00 0.00 N ATOM 300 CA PRO A 161 -16.743 11.936 2.574 1.00 0.00 C ATOM 301 C PRO A 161 -15.772 12.051 1.401 1.00 0.00 C ATOM 302 O PRO A 161 -16.173 12.385 0.286 1.00 0.00 O ATOM 303 CB PRO A 161 -17.318 13.306 2.926 1.00 0.00 C ATOM 304 CG PRO A 161 -16.374 13.857 3.938 1.00 0.00 C ATOM 305 CD PRO A 161 -15.849 12.677 4.717 1.00 0.00 C ATOM 0 HA PRO A 161 -17.485 11.207 2.247 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -17.378 13.949 2.048 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -18.327 13.221 3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -15.560 14.397 3.456 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -16.879 14.563 4.597 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -14.790 12.791 4.951 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -16.374 12.558 5.665 1.00 0.00 H new ATOM 313 N SER A 162 -14.495 11.776 1.654 1.00 0.00 N ATOM 314 CA SER A 162 -13.477 11.855 0.611 1.00 0.00 C ATOM 315 C SER A 162 -12.997 10.465 0.205 1.00 0.00 C ATOM 316 O SER A 162 -12.600 10.246 -0.940 1.00 0.00 O ATOM 317 CB SER A 162 -12.292 12.696 1.090 1.00 0.00 C ATOM 318 OG SER A 162 -11.555 12.016 2.091 1.00 0.00 O ATOM 0 H SER A 162 -14.142 11.497 2.569 1.00 0.00 H new ATOM 0 HA SER A 162 -13.926 12.331 -0.261 1.00 0.00 H new ATOM 0 HB2 SER A 162 -11.640 12.925 0.247 1.00 0.00 H new ATOM 0 HB3 SER A 162 -12.652 13.647 1.482 1.00 0.00 H new ATOM 0 HG SER A 162 -11.147 12.669 2.697 1.00 0.00 H new ATOM 324 N GLY A 163 -13.032 9.530 1.149 1.00 0.00 N ATOM 325 CA GLY A 163 -12.594 8.177 0.867 1.00 0.00 C ATOM 326 C GLY A 163 -11.093 8.016 0.999 1.00 0.00 C ATOM 327 O GLY A 163 -10.502 8.433 1.995 1.00 0.00 O ATOM 0 H GLY A 163 -13.356 9.686 2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 163 -13.092 7.487 1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 163 -12.899 7.903 -0.143 1.00 0.00 H new ATOM 331 N TYR A 164 -10.474 7.410 -0.008 1.00 0.00 N ATOM 332 CA TYR A 164 -9.033 7.194 -0.002 1.00 0.00 C ATOM 333 C TYR A 164 -8.346 8.075 -1.039 1.00 0.00 C ATOM 334 O TYR A 164 -7.339 8.722 -0.751 1.00 0.00 O ATOM 335 CB TYR A 164 -8.720 5.721 -0.270 1.00 0.00 C ATOM 336 CG TYR A 164 -9.519 4.774 0.594 1.00 0.00 C ATOM 337 CD1 TYR A 164 -9.380 4.782 1.976 1.00 0.00 C ATOM 338 CD2 TYR A 164 -10.415 3.874 0.030 1.00 0.00 C ATOM 339 CE1 TYR A 164 -10.111 3.921 2.772 1.00 0.00 C ATOM 340 CE2 TYR A 164 -11.150 3.010 0.819 1.00 0.00 C ATOM 341 CZ TYR A 164 -10.994 3.037 2.189 1.00 0.00 C ATOM 342 OH TYR A 164 -11.724 2.178 2.978 1.00 0.00 O ATOM 0 H TYR A 164 -10.949 7.059 -0.840 1.00 0.00 H new ATOM 0 HA TYR A 164 -8.651 7.465 0.982 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -8.918 5.500 -1.319 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -7.657 5.546 -0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -8.689 5.473 2.436 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -10.539 3.849 -1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -9.991 3.940 3.845 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -11.843 2.317 0.365 1.00 0.00 H new ATOM 0 HH TYR A 164 -12.392 2.686 3.484 1.00 0.00 H new ATOM 352 N GLY A 165 -8.901 8.099 -2.247 1.00 0.00 N ATOM 353 CA GLY A 165 -8.332 8.907 -3.308 1.00 0.00 C ATOM 354 C GLY A 165 -7.215 8.199 -4.052 1.00 0.00 C ATOM 355 O GLY A 165 -6.427 8.838 -4.747 1.00 0.00 O ATOM 0 H GLY A 165 -9.735 7.573 -2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -9.118 9.178 -4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -7.949 9.836 -2.885 1.00 0.00 H new ATOM 359 N PHE A 166 -7.141 6.880 -3.910 1.00 0.00 N ATOM 360 CA PHE A 166 -6.102 6.105 -4.583 1.00 0.00 C ATOM 361 C PHE A 166 -6.691 4.986 -5.435 1.00 0.00 C ATOM 362 O PHE A 166 -7.908 4.827 -5.522 1.00 0.00 O ATOM 363 CB PHE A 166 -5.109 5.525 -3.567 1.00 0.00 C ATOM 364 CG PHE A 166 -5.676 4.487 -2.625 1.00 0.00 C ATOM 365 CD1 PHE A 166 -7.026 4.151 -2.631 1.00 0.00 C ATOM 366 CD2 PHE A 166 -4.841 3.842 -1.726 1.00 0.00 C ATOM 367 CE1 PHE A 166 -7.522 3.199 -1.762 1.00 0.00 C ATOM 368 CE2 PHE A 166 -5.334 2.889 -0.855 1.00 0.00 C ATOM 369 CZ PHE A 166 -6.676 2.567 -0.873 1.00 0.00 C ATOM 0 H PHE A 166 -7.782 6.328 -3.340 1.00 0.00 H new ATOM 0 HA PHE A 166 -5.572 6.789 -5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -4.276 5.080 -4.112 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -4.701 6.344 -2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -7.694 4.641 -3.324 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -3.790 4.088 -1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -8.573 2.949 -1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -4.669 2.396 -0.161 1.00 0.00 H new ATOM 0 HZ PHE A 166 -7.063 1.822 -0.193 1.00 0.00 H new ATOM 379 N ASN A 167 -5.808 4.215 -6.059 1.00 0.00 N ATOM 380 CA ASN A 167 -6.217 3.103 -6.909 1.00 0.00 C ATOM 381 C ASN A 167 -5.375 1.867 -6.609 1.00 0.00 C ATOM 382 O ASN A 167 -4.295 1.969 -6.029 1.00 0.00 O ATOM 383 CB ASN A 167 -6.079 3.482 -8.388 1.00 0.00 C ATOM 384 CG ASN A 167 -7.022 4.591 -8.831 1.00 0.00 C ATOM 385 OD1 ASN A 167 -6.790 5.239 -9.851 1.00 0.00 O ATOM 386 ND2 ASN A 167 -8.086 4.818 -8.074 1.00 0.00 N ATOM 0 H ASN A 167 -4.798 4.341 -5.991 1.00 0.00 H new ATOM 0 HA ASN A 167 -7.262 2.877 -6.699 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -5.052 3.794 -8.579 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -6.262 2.598 -8.998 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -8.747 5.551 -8.330 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -8.244 4.259 -7.235 1.00 0.00 H new ATOM 393 N LEU A 168 -5.876 0.700 -7.002 1.00 0.00 N ATOM 394 CA LEU A 168 -5.164 -0.551 -6.765 1.00 0.00 C ATOM 395 C LEU A 168 -5.244 -1.473 -7.978 1.00 0.00 C ATOM 396 O LEU A 168 -6.302 -1.621 -8.590 1.00 0.00 O ATOM 397 CB LEU A 168 -5.736 -1.264 -5.537 1.00 0.00 C ATOM 398 CG LEU A 168 -5.427 -0.603 -4.192 1.00 0.00 C ATOM 399 CD1 LEU A 168 -3.937 -0.318 -4.063 1.00 0.00 C ATOM 400 CD2 LEU A 168 -6.236 0.677 -4.027 1.00 0.00 C ATOM 0 H LEU A 168 -6.769 0.594 -7.484 1.00 0.00 H new ATOM 0 HA LEU A 168 -4.117 -0.308 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 168 -6.818 -1.333 -5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 168 -5.352 -2.284 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 168 -5.711 -1.293 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -3.739 0.152 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -3.380 -1.253 -4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -3.624 0.351 -4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -6.003 1.133 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 168 -5.985 1.372 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 168 -7.300 0.443 -4.070 1.00 0.00 H new ATOM 412 N HIS A 169 -4.119 -2.096 -8.313 1.00 0.00 N ATOM 413 CA HIS A 169 -4.057 -3.013 -9.445 1.00 0.00 C ATOM 414 C HIS A 169 -3.303 -4.287 -9.065 1.00 0.00 C ATOM 415 O HIS A 169 -2.312 -4.237 -8.334 1.00 0.00 O ATOM 416 CB HIS A 169 -3.380 -2.338 -10.642 1.00 0.00 C ATOM 417 CG HIS A 169 -1.911 -2.112 -10.456 1.00 0.00 C ATOM 418 ND1 HIS A 169 -0.978 -2.396 -11.429 1.00 0.00 N ATOM 419 CD2 HIS A 169 -1.213 -1.635 -9.398 1.00 0.00 C ATOM 420 CE1 HIS A 169 0.229 -2.108 -10.977 1.00 0.00 C ATOM 421 NE2 HIS A 169 0.115 -1.644 -9.746 1.00 0.00 N ATOM 0 H HIS A 169 -3.236 -1.982 -7.815 1.00 0.00 H new ATOM 0 HA HIS A 169 -5.076 -3.282 -9.723 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -3.534 -2.952 -11.529 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -3.865 -1.380 -10.829 1.00 0.00 H new ATOM 0 HD1 HIS A 169 -1.187 -2.770 -12.354 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -1.625 -1.308 -8.455 1.00 0.00 H new ATOM 0 HE1 HIS A 169 1.153 -2.231 -11.522 1.00 0.00 H new ATOM 430 N SER A 170 -3.778 -5.425 -9.561 1.00 0.00 N ATOM 431 CA SER A 170 -3.146 -6.708 -9.267 1.00 0.00 C ATOM 432 C SER A 170 -3.440 -7.729 -10.362 1.00 0.00 C ATOM 433 O SER A 170 -4.488 -7.679 -11.006 1.00 0.00 O ATOM 434 CB SER A 170 -3.631 -7.242 -7.918 1.00 0.00 C ATOM 435 OG SER A 170 -2.927 -8.415 -7.550 1.00 0.00 O ATOM 0 H SER A 170 -4.596 -5.486 -10.167 1.00 0.00 H new ATOM 0 HA SER A 170 -2.069 -6.548 -9.224 1.00 0.00 H new ATOM 0 HB2 SER A 170 -3.497 -6.478 -7.152 1.00 0.00 H new ATOM 0 HB3 SER A 170 -4.698 -7.456 -7.971 1.00 0.00 H new ATOM 0 HG SER A 170 -2.237 -8.189 -6.892 1.00 0.00 H new ATOM 441 N ASP A 171 -2.508 -8.656 -10.565 1.00 0.00 N ATOM 442 CA ASP A 171 -2.668 -9.691 -11.581 1.00 0.00 C ATOM 443 C ASP A 171 -2.390 -11.076 -11.001 1.00 0.00 C ATOM 444 O ASP A 171 -3.310 -11.867 -10.792 1.00 0.00 O ATOM 445 CB ASP A 171 -1.738 -9.422 -12.766 1.00 0.00 C ATOM 446 CG ASP A 171 -1.911 -10.437 -13.879 1.00 0.00 C ATOM 447 OD1 ASP A 171 -3.061 -10.642 -14.321 1.00 0.00 O ATOM 448 OD2 ASP A 171 -0.897 -11.027 -14.308 1.00 0.00 O ATOM 0 H ASP A 171 -1.635 -8.711 -10.040 1.00 0.00 H new ATOM 0 HA ASP A 171 -3.701 -9.666 -11.928 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -1.931 -8.423 -13.156 1.00 0.00 H new ATOM 0 HB3 ASP A 171 -0.704 -9.436 -12.423 1.00 0.00 H new ATOM 453 N LYS A 172 -1.117 -11.364 -10.744 1.00 0.00 N ATOM 454 CA LYS A 172 -0.720 -12.656 -10.191 1.00 0.00 C ATOM 455 C LYS A 172 -1.295 -12.853 -8.792 1.00 0.00 C ATOM 456 O LYS A 172 -1.736 -11.898 -8.152 1.00 0.00 O ATOM 457 CB LYS A 172 0.805 -12.772 -10.148 1.00 0.00 C ATOM 458 CG LYS A 172 1.427 -13.140 -11.485 1.00 0.00 C ATOM 459 CD LYS A 172 1.132 -14.584 -11.857 1.00 0.00 C ATOM 460 CE LYS A 172 2.046 -15.547 -11.117 1.00 0.00 C ATOM 461 NZ LYS A 172 1.442 -16.014 -9.838 1.00 0.00 N ATOM 0 H LYS A 172 -0.343 -10.721 -10.910 1.00 0.00 H new ATOM 0 HA LYS A 172 -1.119 -13.435 -10.841 1.00 0.00 H new ATOM 0 HB2 LYS A 172 1.223 -11.824 -9.811 1.00 0.00 H new ATOM 0 HB3 LYS A 172 1.083 -13.523 -9.409 1.00 0.00 H new ATOM 0 HG2 LYS A 172 1.043 -12.477 -12.261 1.00 0.00 H new ATOM 0 HG3 LYS A 172 2.505 -12.988 -11.440 1.00 0.00 H new ATOM 0 HD2 LYS A 172 0.093 -14.816 -11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 172 1.255 -14.717 -12.932 1.00 0.00 H new ATOM 0 HE2 LYS A 172 2.259 -16.406 -11.753 1.00 0.00 H new ATOM 0 HE3 LYS A 172 2.998 -15.058 -10.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 1.644 -17.026 -9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 1.846 -15.475 -9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 0.413 -15.868 -9.866 1.00 0.00 H new ATOM 475 N SER A 173 -1.285 -14.098 -8.323 1.00 0.00 N ATOM 476 CA SER A 173 -1.805 -14.421 -6.999 1.00 0.00 C ATOM 477 C SER A 173 -0.680 -14.805 -6.042 1.00 0.00 C ATOM 478 O SER A 173 -0.915 -15.456 -5.023 1.00 0.00 O ATOM 479 CB SER A 173 -2.818 -15.564 -7.093 1.00 0.00 C ATOM 480 OG SER A 173 -3.875 -15.239 -7.980 1.00 0.00 O ATOM 0 H SER A 173 -0.923 -14.899 -8.840 1.00 0.00 H new ATOM 0 HA SER A 173 -2.299 -13.532 -6.608 1.00 0.00 H new ATOM 0 HB2 SER A 173 -2.318 -16.470 -7.435 1.00 0.00 H new ATOM 0 HB3 SER A 173 -3.222 -15.778 -6.104 1.00 0.00 H new ATOM 0 HG SER A 173 -4.507 -15.986 -8.023 1.00 0.00 H new ATOM 486 N LYS A 174 0.541 -14.402 -6.375 1.00 0.00 N ATOM 487 CA LYS A 174 1.700 -14.709 -5.542 1.00 0.00 C ATOM 488 C LYS A 174 2.289 -13.450 -4.897 1.00 0.00 C ATOM 489 O LYS A 174 2.509 -13.420 -3.687 1.00 0.00 O ATOM 490 CB LYS A 174 2.771 -15.440 -6.357 1.00 0.00 C ATOM 491 CG LYS A 174 2.379 -16.858 -6.738 1.00 0.00 C ATOM 492 CD LYS A 174 3.519 -17.583 -7.436 1.00 0.00 C ATOM 493 CE LYS A 174 3.605 -19.037 -7.001 1.00 0.00 C ATOM 494 NZ LYS A 174 2.268 -19.692 -6.984 1.00 0.00 N ATOM 0 H LYS A 174 0.755 -13.863 -7.214 1.00 0.00 H new ATOM 0 HA LYS A 174 1.359 -15.362 -4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 174 2.977 -14.872 -7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 174 3.697 -15.469 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 174 2.089 -17.409 -5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 174 1.508 -16.832 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 174 3.376 -17.533 -8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 174 4.460 -17.080 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 174 4.266 -19.579 -7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 174 4.049 -19.093 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 2.377 -20.709 -7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 1.828 -19.558 -6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 1.664 -19.267 -7.716 1.00 0.00 H new ATOM 508 N PRO A 175 2.558 -12.389 -5.686 1.00 0.00 N ATOM 509 CA PRO A 175 3.125 -11.144 -5.154 1.00 0.00 C ATOM 510 C PRO A 175 2.191 -10.463 -4.159 1.00 0.00 C ATOM 511 O PRO A 175 2.513 -10.334 -2.978 1.00 0.00 O ATOM 512 CB PRO A 175 3.315 -10.263 -6.397 1.00 0.00 C ATOM 513 CG PRO A 175 3.262 -11.201 -7.553 1.00 0.00 C ATOM 514 CD PRO A 175 2.340 -12.308 -7.139 1.00 0.00 C ATOM 0 HA PRO A 175 4.049 -11.326 -4.605 1.00 0.00 H new ATOM 0 HB2 PRO A 175 2.533 -9.507 -6.467 1.00 0.00 H new ATOM 0 HB3 PRO A 175 4.267 -9.734 -6.363 1.00 0.00 H new ATOM 0 HG2 PRO A 175 2.893 -10.699 -8.447 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.254 -11.586 -7.790 1.00 0.00 H new ATOM 0 HD2 PRO A 175 1.302 -12.081 -7.380 1.00 0.00 H new ATOM 0 HD3 PRO A 175 2.585 -13.246 -7.637 1.00 0.00 H new ATOM 522 N GLY A 176 1.033 -10.027 -4.645 1.00 0.00 N ATOM 523 CA GLY A 176 0.071 -9.364 -3.785 1.00 0.00 C ATOM 524 C GLY A 176 -0.645 -8.225 -4.485 1.00 0.00 C ATOM 525 O GLY A 176 -0.866 -8.274 -5.695 1.00 0.00 O ATOM 0 H GLY A 176 0.744 -10.121 -5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 176 -0.663 -10.091 -3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 176 0.582 -8.980 -2.902 1.00 0.00 H new ATOM 529 N GLN A 177 -1.010 -7.198 -3.724 1.00 0.00 N ATOM 530 CA GLN A 177 -1.707 -6.044 -4.280 1.00 0.00 C ATOM 531 C GLN A 177 -0.851 -4.786 -4.174 1.00 0.00 C ATOM 532 O GLN A 177 -0.339 -4.460 -3.103 1.00 0.00 O ATOM 533 CB GLN A 177 -3.038 -5.830 -3.557 1.00 0.00 C ATOM 534 CG GLN A 177 -3.838 -4.653 -4.090 1.00 0.00 C ATOM 535 CD GLN A 177 -4.415 -4.915 -5.467 1.00 0.00 C ATOM 536 OE1 GLN A 177 -4.142 -4.181 -6.417 1.00 0.00 O ATOM 537 NE2 GLN A 177 -5.217 -5.967 -5.582 1.00 0.00 N ATOM 0 H GLN A 177 -0.835 -7.142 -2.721 1.00 0.00 H new ATOM 0 HA GLN A 177 -1.900 -6.242 -5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 177 -3.638 -6.736 -3.644 1.00 0.00 H new ATOM 0 HB3 GLN A 177 -2.845 -5.676 -2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 177 -4.649 -4.426 -3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 177 -3.198 -3.772 -4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 177 -5.416 -6.548 -4.768 1.00 0.00 H new ATOM 0 HE22 GLN A 177 -5.634 -6.194 -6.485 1.00 0.00 H new ATOM 546 N PHE A 178 -0.702 -4.081 -5.292 1.00 0.00 N ATOM 547 CA PHE A 178 0.089 -2.856 -5.326 1.00 0.00 C ATOM 548 C PHE A 178 -0.792 -1.666 -5.689 1.00 0.00 C ATOM 549 O PHE A 178 -1.910 -1.840 -6.174 1.00 0.00 O ATOM 550 CB PHE A 178 1.229 -2.983 -6.341 1.00 0.00 C ATOM 551 CG PHE A 178 1.890 -4.335 -6.357 1.00 0.00 C ATOM 552 CD1 PHE A 178 2.001 -5.089 -5.197 1.00 0.00 C ATOM 553 CD2 PHE A 178 2.398 -4.853 -7.537 1.00 0.00 C ATOM 554 CE1 PHE A 178 2.605 -6.332 -5.217 1.00 0.00 C ATOM 555 CE2 PHE A 178 3.004 -6.095 -7.563 1.00 0.00 C ATOM 556 CZ PHE A 178 3.107 -6.835 -6.402 1.00 0.00 C ATOM 0 H PHE A 178 -1.119 -4.338 -6.187 1.00 0.00 H new ATOM 0 HA PHE A 178 0.514 -2.695 -4.335 1.00 0.00 H new ATOM 0 HB2 PHE A 178 0.840 -2.769 -7.337 1.00 0.00 H new ATOM 0 HB3 PHE A 178 1.981 -2.225 -6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 178 1.611 -4.700 -4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 178 2.320 -4.279 -8.448 1.00 0.00 H new ATOM 0 HE1 PHE A 178 2.684 -6.909 -4.308 1.00 0.00 H new ATOM 0 HE2 PHE A 178 3.396 -6.486 -8.490 1.00 0.00 H new ATOM 0 HZ PHE A 178 3.579 -7.806 -6.420 1.00 0.00 H new ATOM 566 N ILE A 179 -0.286 -0.456 -5.466 1.00 0.00 N ATOM 567 CA ILE A 179 -1.043 0.744 -5.788 1.00 0.00 C ATOM 568 C ILE A 179 -0.750 1.188 -7.213 1.00 0.00 C ATOM 569 O ILE A 179 0.398 1.176 -7.656 1.00 0.00 O ATOM 570 CB ILE A 179 -0.738 1.894 -4.809 1.00 0.00 C ATOM 571 CG1 ILE A 179 -0.948 1.416 -3.366 1.00 0.00 C ATOM 572 CG2 ILE A 179 -1.617 3.099 -5.121 1.00 0.00 C ATOM 573 CD1 ILE A 179 -1.099 2.537 -2.358 1.00 0.00 C ATOM 0 H ILE A 179 0.637 -0.284 -5.067 1.00 0.00 H new ATOM 0 HA ILE A 179 -2.100 0.496 -5.695 1.00 0.00 H new ATOM 0 HB ILE A 179 0.302 2.199 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -1.837 0.787 -3.329 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -0.103 0.792 -3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -1.392 3.904 -4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -1.423 3.437 -6.139 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -2.666 2.819 -5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -1.243 2.115 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -0.201 3.154 -2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -1.962 3.149 -2.621 1.00 0.00 H new ATOM 585 N ARG A 180 -1.799 1.557 -7.935 1.00 0.00 N ATOM 586 CA ARG A 180 -1.656 1.978 -9.321 1.00 0.00 C ATOM 587 C ARG A 180 -1.726 3.498 -9.463 1.00 0.00 C ATOM 588 O ARG A 180 -1.052 4.075 -10.317 1.00 0.00 O ATOM 589 CB ARG A 180 -2.731 1.305 -10.181 1.00 0.00 C ATOM 590 CG ARG A 180 -4.121 1.895 -10.006 1.00 0.00 C ATOM 591 CD ARG A 180 -5.126 1.239 -10.939 1.00 0.00 C ATOM 592 NE ARG A 180 -4.834 1.515 -12.343 1.00 0.00 N ATOM 593 CZ ARG A 180 -5.164 2.647 -12.961 1.00 0.00 C ATOM 594 NH1 ARG A 180 -5.787 3.615 -12.300 1.00 0.00 N ATOM 595 NH2 ARG A 180 -4.868 2.813 -14.243 1.00 0.00 N ATOM 0 H ARG A 180 -2.757 1.573 -7.584 1.00 0.00 H new ATOM 0 HA ARG A 180 -0.671 1.668 -9.668 1.00 0.00 H new ATOM 0 HB2 ARG A 180 -2.444 1.382 -11.230 1.00 0.00 H new ATOM 0 HB3 ARG A 180 -2.765 0.243 -9.937 1.00 0.00 H new ATOM 0 HG2 ARG A 180 -4.444 1.767 -8.973 1.00 0.00 H new ATOM 0 HG3 ARG A 180 -4.089 2.967 -10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 180 -5.124 0.162 -10.774 1.00 0.00 H new ATOM 0 HD3 ARG A 180 -6.128 1.596 -10.701 1.00 0.00 H new ATOM 0 HE ARG A 180 -4.348 0.798 -12.882 1.00 0.00 H new ATOM 0 HH11 ARG A 180 -6.015 3.494 -11.313 1.00 0.00 H new ATOM 0 HH12 ARG A 180 -6.037 4.480 -12.779 1.00 0.00 H new ATOM 0 HH21 ARG A 180 -4.388 2.073 -14.755 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -5.121 3.680 -14.717 1.00 0.00 H new ATOM 609 N SER A 181 -2.541 4.147 -8.635 1.00 0.00 N ATOM 610 CA SER A 181 -2.676 5.601 -8.701 1.00 0.00 C ATOM 611 C SER A 181 -3.016 6.204 -7.340 1.00 0.00 C ATOM 612 O SER A 181 -3.680 5.577 -6.516 1.00 0.00 O ATOM 613 CB SER A 181 -3.752 5.983 -9.719 1.00 0.00 C ATOM 614 OG SER A 181 -3.602 7.327 -10.141 1.00 0.00 O ATOM 0 H SER A 181 -3.111 3.697 -7.919 1.00 0.00 H new ATOM 0 HA SER A 181 -1.713 6.005 -9.014 1.00 0.00 H new ATOM 0 HB2 SER A 181 -3.693 5.319 -10.582 1.00 0.00 H new ATOM 0 HB3 SER A 181 -4.739 5.845 -9.278 1.00 0.00 H new ATOM 0 HG SER A 181 -4.301 7.545 -10.792 1.00 0.00 H new ATOM 620 N VAL A 182 -2.560 7.436 -7.123 1.00 0.00 N ATOM 621 CA VAL A 182 -2.814 8.150 -5.876 1.00 0.00 C ATOM 622 C VAL A 182 -3.229 9.592 -6.159 1.00 0.00 C ATOM 623 O VAL A 182 -2.611 10.275 -6.976 1.00 0.00 O ATOM 624 CB VAL A 182 -1.575 8.145 -4.958 1.00 0.00 C ATOM 625 CG1 VAL A 182 -1.850 8.913 -3.673 1.00 0.00 C ATOM 626 CG2 VAL A 182 -1.149 6.718 -4.650 1.00 0.00 C ATOM 0 H VAL A 182 -2.009 7.963 -7.801 1.00 0.00 H new ATOM 0 HA VAL A 182 -3.625 7.631 -5.365 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.759 8.644 -5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -0.962 8.896 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -2.104 9.945 -3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.681 8.449 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.273 6.732 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -1.964 6.195 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 182 -0.904 6.203 -5.579 1.00 0.00 H new ATOM 636 N ASP A 183 -4.278 10.048 -5.484 1.00 0.00 N ATOM 637 CA ASP A 183 -4.775 11.407 -5.669 1.00 0.00 C ATOM 638 C ASP A 183 -3.998 12.397 -4.800 1.00 0.00 C ATOM 639 O ASP A 183 -3.947 12.250 -3.581 1.00 0.00 O ATOM 640 CB ASP A 183 -6.263 11.476 -5.324 1.00 0.00 C ATOM 641 CG ASP A 183 -6.874 12.824 -5.653 1.00 0.00 C ATOM 642 OD1 ASP A 183 -6.285 13.559 -6.473 1.00 0.00 O ATOM 643 OD2 ASP A 183 -7.942 13.145 -5.091 1.00 0.00 O ATOM 0 H ASP A 183 -4.801 9.497 -4.804 1.00 0.00 H new ATOM 0 HA ASP A 183 -4.634 11.679 -6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 183 -6.795 10.697 -5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 183 -6.396 11.270 -4.262 1.00 0.00 H new ATOM 648 N PRO A 184 -3.379 13.422 -5.412 1.00 0.00 N ATOM 649 CA PRO A 184 -2.610 14.427 -4.670 1.00 0.00 C ATOM 650 C PRO A 184 -3.478 15.206 -3.686 1.00 0.00 C ATOM 651 O PRO A 184 -4.537 15.717 -4.048 1.00 0.00 O ATOM 652 CB PRO A 184 -2.074 15.362 -5.762 1.00 0.00 C ATOM 653 CG PRO A 184 -2.184 14.588 -7.031 1.00 0.00 C ATOM 654 CD PRO A 184 -3.371 13.686 -6.860 1.00 0.00 C ATOM 0 HA PRO A 184 -1.826 13.969 -4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 184 -2.655 16.283 -5.811 1.00 0.00 H new ATOM 0 HB3 PRO A 184 -1.041 15.647 -5.563 1.00 0.00 H new ATOM 0 HG2 PRO A 184 -2.318 15.253 -7.884 1.00 0.00 H new ATOM 0 HG3 PRO A 184 -1.278 14.011 -7.216 1.00 0.00 H new ATOM 0 HD2 PRO A 184 -4.293 14.166 -7.188 1.00 0.00 H new ATOM 0 HD3 PRO A 184 -3.267 12.767 -7.437 1.00 0.00 H new ATOM 662 N ASP A 185 -3.015 15.299 -2.442 1.00 0.00 N ATOM 663 CA ASP A 185 -3.738 16.023 -1.397 1.00 0.00 C ATOM 664 C ASP A 185 -4.937 15.227 -0.883 1.00 0.00 C ATOM 665 O ASP A 185 -5.837 15.786 -0.257 1.00 0.00 O ATOM 666 CB ASP A 185 -4.204 17.389 -1.913 1.00 0.00 C ATOM 667 CG ASP A 185 -4.513 18.358 -0.788 1.00 0.00 C ATOM 668 OD1 ASP A 185 -5.613 18.260 -0.205 1.00 0.00 O ATOM 669 OD2 ASP A 185 -3.655 19.215 -0.491 1.00 0.00 O ATOM 0 H ASP A 185 -2.138 14.880 -2.131 1.00 0.00 H new ATOM 0 HA ASP A 185 -3.047 16.168 -0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -3.432 17.815 -2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -5.093 17.257 -2.530 1.00 0.00 H new ATOM 674 N SER A 186 -4.946 13.921 -1.140 1.00 0.00 N ATOM 675 CA SER A 186 -6.038 13.065 -0.687 1.00 0.00 C ATOM 676 C SER A 186 -5.657 12.345 0.604 1.00 0.00 C ATOM 677 O SER A 186 -4.484 12.304 0.975 1.00 0.00 O ATOM 678 CB SER A 186 -6.405 12.048 -1.769 1.00 0.00 C ATOM 679 OG SER A 186 -7.230 12.637 -2.760 1.00 0.00 O ATOM 0 H SER A 186 -4.213 13.435 -1.657 1.00 0.00 H new ATOM 0 HA SER A 186 -6.906 13.695 -0.490 1.00 0.00 H new ATOM 0 HB2 SER A 186 -5.497 11.659 -2.230 1.00 0.00 H new ATOM 0 HB3 SER A 186 -6.921 11.201 -1.317 1.00 0.00 H new ATOM 0 HG SER A 186 -7.886 11.979 -3.073 1.00 0.00 H new ATOM 685 N PRO A 187 -6.646 11.769 1.312 1.00 0.00 N ATOM 686 CA PRO A 187 -6.405 11.055 2.569 1.00 0.00 C ATOM 687 C PRO A 187 -5.184 10.146 2.506 1.00 0.00 C ATOM 688 O PRO A 187 -4.409 10.068 3.460 1.00 0.00 O ATOM 689 CB PRO A 187 -7.682 10.238 2.747 1.00 0.00 C ATOM 690 CG PRO A 187 -8.741 11.065 2.104 1.00 0.00 C ATOM 691 CD PRO A 187 -8.079 11.773 0.949 1.00 0.00 C ATOM 0 HA PRO A 187 -6.194 11.735 3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 187 -7.598 9.260 2.273 1.00 0.00 H new ATOM 0 HB3 PRO A 187 -7.899 10.063 3.801 1.00 0.00 H new ATOM 0 HG2 PRO A 187 -9.565 10.441 1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 187 -9.159 11.781 2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 187 -8.255 11.254 0.007 1.00 0.00 H new ATOM 0 HD3 PRO A 187 -8.459 12.788 0.830 1.00 0.00 H new ATOM 699 N ALA A 188 -5.007 9.469 1.378 1.00 0.00 N ATOM 700 CA ALA A 188 -3.868 8.580 1.202 1.00 0.00 C ATOM 701 C ALA A 188 -2.567 9.375 1.216 1.00 0.00 C ATOM 702 O ALA A 188 -1.588 8.980 1.851 1.00 0.00 O ATOM 703 CB ALA A 188 -4.002 7.796 -0.095 1.00 0.00 C ATOM 0 H ALA A 188 -5.635 9.519 0.576 1.00 0.00 H new ATOM 0 HA ALA A 188 -3.848 7.872 2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 188 -3.142 7.136 -0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 188 -4.915 7.201 -0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 188 -4.045 8.488 -0.936 1.00 0.00 H new ATOM 709 N GLU A 189 -2.570 10.504 0.516 1.00 0.00 N ATOM 710 CA GLU A 189 -1.397 11.367 0.447 1.00 0.00 C ATOM 711 C GLU A 189 -1.147 12.046 1.787 1.00 0.00 C ATOM 712 O GLU A 189 -0.036 12.012 2.317 1.00 0.00 O ATOM 713 CB GLU A 189 -1.581 12.425 -0.640 1.00 0.00 C ATOM 714 CG GLU A 189 -0.276 13.040 -1.120 1.00 0.00 C ATOM 715 CD GLU A 189 0.460 12.150 -2.103 1.00 0.00 C ATOM 716 OE1 GLU A 189 0.051 12.103 -3.282 1.00 0.00 O ATOM 717 OE2 GLU A 189 1.445 11.501 -1.693 1.00 0.00 O ATOM 0 H GLU A 189 -3.374 10.843 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 189 -0.534 10.747 0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 189 -2.095 11.975 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 189 -2.227 13.216 -0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 189 -0.483 14.001 -1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 189 0.366 13.236 -0.262 1.00 0.00 H new ATOM 724 N ALA A 190 -2.192 12.665 2.329 1.00 0.00 N ATOM 725 CA ALA A 190 -2.098 13.361 3.610 1.00 0.00 C ATOM 726 C ALA A 190 -1.408 12.497 4.662 1.00 0.00 C ATOM 727 O ALA A 190 -0.708 13.008 5.537 1.00 0.00 O ATOM 728 CB ALA A 190 -3.482 13.771 4.089 1.00 0.00 C ATOM 0 H ALA A 190 -3.117 12.699 1.900 1.00 0.00 H new ATOM 0 HA ALA A 190 -1.493 14.256 3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -3.398 14.289 5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -3.939 14.435 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -4.103 12.883 4.211 1.00 0.00 H new ATOM 734 N SER A 191 -1.609 11.187 4.570 1.00 0.00 N ATOM 735 CA SER A 191 -1.004 10.254 5.512 1.00 0.00 C ATOM 736 C SER A 191 0.456 9.995 5.157 1.00 0.00 C ATOM 737 O SER A 191 1.280 9.725 6.030 1.00 0.00 O ATOM 738 CB SER A 191 -1.780 8.936 5.527 1.00 0.00 C ATOM 739 OG SER A 191 -1.127 7.968 6.331 1.00 0.00 O ATOM 0 H SER A 191 -2.186 10.748 3.853 1.00 0.00 H new ATOM 0 HA SER A 191 -1.044 10.701 6.505 1.00 0.00 H new ATOM 0 HB2 SER A 191 -2.787 9.108 5.906 1.00 0.00 H new ATOM 0 HB3 SER A 191 -1.882 8.559 4.509 1.00 0.00 H new ATOM 0 HG SER A 191 -0.610 7.363 5.759 1.00 0.00 H new ATOM 745 N GLY A 192 0.768 10.080 3.868 1.00 0.00 N ATOM 746 CA GLY A 192 2.128 9.851 3.416 1.00 0.00 C ATOM 747 C GLY A 192 2.232 8.653 2.495 1.00 0.00 C ATOM 748 O GLY A 192 3.244 7.951 2.487 1.00 0.00 O ATOM 0 H GLY A 192 0.103 10.304 3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 192 2.491 10.738 2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 192 2.775 9.700 4.280 1.00 0.00 H new ATOM 752 N LEU A 193 1.179 8.417 1.721 1.00 0.00 N ATOM 753 CA LEU A 193 1.147 7.295 0.793 1.00 0.00 C ATOM 754 C LEU A 193 1.519 7.741 -0.616 1.00 0.00 C ATOM 755 O LEU A 193 1.255 8.878 -1.009 1.00 0.00 O ATOM 756 CB LEU A 193 -0.243 6.656 0.790 1.00 0.00 C ATOM 757 CG LEU A 193 -0.384 5.401 -0.075 1.00 0.00 C ATOM 758 CD1 LEU A 193 -1.592 4.587 0.365 1.00 0.00 C ATOM 759 CD2 LEU A 193 -0.498 5.778 -1.548 1.00 0.00 C ATOM 0 H LEU A 193 0.335 8.990 1.719 1.00 0.00 H new ATOM 0 HA LEU A 193 1.880 6.559 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -0.510 6.402 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -0.965 7.397 0.446 1.00 0.00 H new ATOM 0 HG LEU A 193 0.509 4.789 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -1.679 3.698 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -1.470 4.288 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -2.494 5.191 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -0.598 4.874 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -1.374 6.410 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 193 0.396 6.321 -1.855 1.00 0.00 H new ATOM 771 N ARG A 194 2.130 6.837 -1.373 1.00 0.00 N ATOM 772 CA ARG A 194 2.535 7.132 -2.741 1.00 0.00 C ATOM 773 C ARG A 194 2.333 5.916 -3.637 1.00 0.00 C ATOM 774 O ARG A 194 2.699 4.798 -3.277 1.00 0.00 O ATOM 775 CB ARG A 194 3.998 7.575 -2.779 1.00 0.00 C ATOM 776 CG ARG A 194 4.199 9.030 -2.390 1.00 0.00 C ATOM 777 CD ARG A 194 5.635 9.307 -1.980 1.00 0.00 C ATOM 778 NE ARG A 194 5.795 10.650 -1.426 1.00 0.00 N ATOM 779 CZ ARG A 194 6.851 11.038 -0.716 1.00 0.00 C ATOM 780 NH1 ARG A 194 7.843 10.190 -0.473 1.00 0.00 N ATOM 781 NH2 ARG A 194 6.915 12.277 -0.247 1.00 0.00 N ATOM 0 H ARG A 194 2.356 5.892 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 194 1.911 7.944 -3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 194 4.579 6.943 -2.107 1.00 0.00 H new ATOM 0 HB3 ARG A 194 4.391 7.418 -3.783 1.00 0.00 H new ATOM 0 HG2 ARG A 194 3.929 9.672 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 194 3.530 9.283 -1.567 1.00 0.00 H new ATOM 0 HD2 ARG A 194 5.950 8.570 -1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 194 6.288 9.191 -2.845 1.00 0.00 H new ATOM 0 HE ARG A 194 5.053 11.330 -1.594 1.00 0.00 H new ATOM 0 HH11 ARG A 194 7.798 9.236 -0.831 1.00 0.00 H new ATOM 0 HH12 ARG A 194 8.650 10.492 0.072 1.00 0.00 H new ATOM 0 HH21 ARG A 194 6.155 12.932 -0.431 1.00 0.00 H new ATOM 0 HH22 ARG A 194 7.724 12.575 0.297 1.00 0.00 H new ATOM 795 N ALA A 195 1.742 6.143 -4.806 1.00 0.00 N ATOM 796 CA ALA A 195 1.481 5.069 -5.759 1.00 0.00 C ATOM 797 C ALA A 195 2.704 4.175 -5.946 1.00 0.00 C ATOM 798 O ALA A 195 3.826 4.568 -5.626 1.00 0.00 O ATOM 799 CB ALA A 195 1.044 5.648 -7.096 1.00 0.00 C ATOM 0 H ALA A 195 1.434 7.064 -5.117 1.00 0.00 H new ATOM 0 HA ALA A 195 0.677 4.453 -5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.852 4.837 -7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 195 0.134 6.232 -6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 195 1.832 6.290 -7.489 1.00 0.00 H new ATOM 805 N GLN A 196 2.468 2.972 -6.470 1.00 0.00 N ATOM 806 CA GLN A 196 3.530 1.994 -6.721 1.00 0.00 C ATOM 807 C GLN A 196 3.887 1.200 -5.465 1.00 0.00 C ATOM 808 O GLN A 196 4.559 0.173 -5.549 1.00 0.00 O ATOM 809 CB GLN A 196 4.788 2.670 -7.284 1.00 0.00 C ATOM 810 CG GLN A 196 4.512 3.590 -8.462 1.00 0.00 C ATOM 811 CD GLN A 196 5.721 4.418 -8.850 1.00 0.00 C ATOM 812 OE1 GLN A 196 6.730 4.432 -8.145 1.00 0.00 O ATOM 813 NE2 GLN A 196 5.626 5.113 -9.977 1.00 0.00 N ATOM 0 H GLN A 196 1.537 2.647 -6.732 1.00 0.00 H new ATOM 0 HA GLN A 196 3.141 1.297 -7.463 1.00 0.00 H new ATOM 0 HB2 GLN A 196 5.267 3.244 -6.491 1.00 0.00 H new ATOM 0 HB3 GLN A 196 5.496 1.901 -7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 196 4.195 2.994 -9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 196 3.685 4.255 -8.213 1.00 0.00 H new ATOM 0 HE21 GLN A 196 4.770 5.072 -10.531 1.00 0.00 H new ATOM 0 HE22 GLN A 196 6.409 5.688 -10.289 1.00 0.00 H new ATOM 822 N ASP A 197 3.436 1.664 -4.303 1.00 0.00 N ATOM 823 CA ASP A 197 3.719 0.972 -3.053 1.00 0.00 C ATOM 824 C ASP A 197 2.988 -0.367 -3.004 1.00 0.00 C ATOM 825 O ASP A 197 1.893 -0.506 -3.547 1.00 0.00 O ATOM 826 CB ASP A 197 3.329 1.842 -1.853 1.00 0.00 C ATOM 827 CG ASP A 197 1.964 2.486 -2.007 1.00 0.00 C ATOM 828 OD1 ASP A 197 1.484 2.599 -3.152 1.00 0.00 O ATOM 829 OD2 ASP A 197 1.380 2.888 -0.979 1.00 0.00 O ATOM 0 H ASP A 197 2.877 2.511 -4.203 1.00 0.00 H new ATOM 0 HA ASP A 197 4.791 0.781 -3.003 1.00 0.00 H new ATOM 0 HB2 ASP A 197 3.337 1.231 -0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.079 2.621 -1.717 1.00 0.00 H new ATOM 834 N ARG A 198 3.610 -1.355 -2.366 1.00 0.00 N ATOM 835 CA ARG A 198 3.025 -2.690 -2.266 1.00 0.00 C ATOM 836 C ARG A 198 2.218 -2.849 -0.981 1.00 0.00 C ATOM 837 O ARG A 198 2.742 -2.668 0.116 1.00 0.00 O ATOM 838 CB ARG A 198 4.124 -3.754 -2.317 1.00 0.00 C ATOM 839 CG ARG A 198 5.230 -3.448 -3.317 1.00 0.00 C ATOM 840 CD ARG A 198 4.806 -3.779 -4.738 1.00 0.00 C ATOM 841 NE ARG A 198 5.912 -3.651 -5.684 1.00 0.00 N ATOM 842 CZ ARG A 198 6.857 -4.574 -5.850 1.00 0.00 C ATOM 843 NH1 ARG A 198 6.832 -5.696 -5.142 1.00 0.00 N ATOM 844 NH2 ARG A 198 7.829 -4.376 -6.729 1.00 0.00 N ATOM 0 H ARG A 198 4.518 -1.257 -1.911 1.00 0.00 H new ATOM 0 HA ARG A 198 2.351 -2.821 -3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 198 4.563 -3.857 -1.325 1.00 0.00 H new ATOM 0 HB3 ARG A 198 3.675 -4.715 -2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 198 5.498 -2.393 -3.253 1.00 0.00 H new ATOM 0 HG3 ARG A 198 6.122 -4.020 -3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 198 4.416 -4.796 -4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 198 3.994 -3.116 -5.038 1.00 0.00 H new ATOM 0 HE ARG A 198 5.963 -2.804 -6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 198 6.086 -5.856 -4.465 1.00 0.00 H new ATOM 0 HH12 ARG A 198 7.559 -6.399 -5.274 1.00 0.00 H new ATOM 0 HH21 ARG A 198 7.853 -3.517 -7.278 1.00 0.00 H new ATOM 0 HH22 ARG A 198 8.553 -5.083 -6.856 1.00 0.00 H new ATOM 858 N ILE A 199 0.942 -3.201 -1.127 1.00 0.00 N ATOM 859 CA ILE A 199 0.062 -3.397 0.020 1.00 0.00 C ATOM 860 C ILE A 199 0.502 -4.600 0.846 1.00 0.00 C ATOM 861 O ILE A 199 0.710 -5.690 0.314 1.00 0.00 O ATOM 862 CB ILE A 199 -1.402 -3.603 -0.421 1.00 0.00 C ATOM 863 CG1 ILE A 199 -1.845 -2.476 -1.359 1.00 0.00 C ATOM 864 CG2 ILE A 199 -2.317 -3.682 0.793 1.00 0.00 C ATOM 865 CD1 ILE A 199 -1.973 -1.131 -0.677 1.00 0.00 C ATOM 0 H ILE A 199 0.495 -3.356 -2.031 1.00 0.00 H new ATOM 0 HA ILE A 199 0.127 -2.494 0.627 1.00 0.00 H new ATOM 0 HB ILE A 199 -1.470 -4.546 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 199 -1.128 -2.392 -2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 199 -2.805 -2.741 -1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 199 -3.346 -3.827 0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 199 -2.015 -4.519 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 199 -2.246 -2.756 1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 199 -2.290 -0.383 -1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 199 -2.712 -1.197 0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 199 -1.009 -0.843 -0.257 1.00 0.00 H new ATOM 877 N VAL A 200 0.647 -4.391 2.150 1.00 0.00 N ATOM 878 CA VAL A 200 1.069 -5.457 3.053 1.00 0.00 C ATOM 879 C VAL A 200 -0.059 -5.888 3.987 1.00 0.00 C ATOM 880 O VAL A 200 -0.256 -7.080 4.222 1.00 0.00 O ATOM 881 CB VAL A 200 2.279 -5.027 3.905 1.00 0.00 C ATOM 882 CG1 VAL A 200 2.864 -6.222 4.643 1.00 0.00 C ATOM 883 CG2 VAL A 200 3.334 -4.359 3.039 1.00 0.00 C ATOM 0 H VAL A 200 0.479 -3.494 2.606 1.00 0.00 H new ATOM 0 HA VAL A 200 1.350 -6.299 2.421 1.00 0.00 H new ATOM 0 HB VAL A 200 1.939 -4.302 4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 200 3.717 -5.899 5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 200 2.106 -6.652 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 200 3.188 -6.972 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 200 4.180 -4.063 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 200 3.672 -5.058 2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 200 2.908 -3.477 2.562 1.00 0.00 H new ATOM 893 N GLU A 201 -0.791 -4.917 4.528 1.00 0.00 N ATOM 894 CA GLU A 201 -1.887 -5.219 5.445 1.00 0.00 C ATOM 895 C GLU A 201 -3.046 -4.240 5.279 1.00 0.00 C ATOM 896 O GLU A 201 -2.942 -3.251 4.554 1.00 0.00 O ATOM 897 CB GLU A 201 -1.386 -5.198 6.892 1.00 0.00 C ATOM 898 CG GLU A 201 -1.244 -3.801 7.477 1.00 0.00 C ATOM 899 CD GLU A 201 -0.316 -3.762 8.675 1.00 0.00 C ATOM 900 OE1 GLU A 201 0.516 -4.684 8.812 1.00 0.00 O ATOM 901 OE2 GLU A 201 -0.420 -2.809 9.476 1.00 0.00 O ATOM 0 H GLU A 201 -0.647 -3.923 4.350 1.00 0.00 H new ATOM 0 HA GLU A 201 -2.255 -6.216 5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -2.074 -5.772 7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -0.420 -5.700 6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -0.868 -3.126 6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -2.227 -3.433 7.771 1.00 0.00 H new ATOM 908 N VAL A 202 -4.146 -4.531 5.965 1.00 0.00 N ATOM 909 CA VAL A 202 -5.335 -3.690 5.910 1.00 0.00 C ATOM 910 C VAL A 202 -6.106 -3.746 7.225 1.00 0.00 C ATOM 911 O VAL A 202 -6.778 -4.733 7.521 1.00 0.00 O ATOM 912 CB VAL A 202 -6.275 -4.115 4.766 1.00 0.00 C ATOM 913 CG1 VAL A 202 -7.376 -3.086 4.571 1.00 0.00 C ATOM 914 CG2 VAL A 202 -5.493 -4.325 3.478 1.00 0.00 C ATOM 0 H VAL A 202 -4.238 -5.348 6.569 1.00 0.00 H new ATOM 0 HA VAL A 202 -4.992 -2.671 5.730 1.00 0.00 H new ATOM 0 HB VAL A 202 -6.740 -5.063 5.036 1.00 0.00 H new ATOM 0 HG11 VAL A 202 -8.030 -3.403 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 202 -7.956 -2.995 5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 202 -6.933 -2.121 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 202 -6.176 -4.625 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 202 -4.996 -3.396 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 202 -4.747 -5.105 3.629 1.00 0.00 H new ATOM 924 N ASN A 203 -6.011 -2.677 8.009 1.00 0.00 N ATOM 925 CA ASN A 203 -6.704 -2.602 9.292 1.00 0.00 C ATOM 926 C ASN A 203 -6.088 -3.550 10.318 1.00 0.00 C ATOM 927 O ASN A 203 -6.759 -3.983 11.255 1.00 0.00 O ATOM 928 CB ASN A 203 -8.191 -2.919 9.118 1.00 0.00 C ATOM 929 CG ASN A 203 -9.031 -2.401 10.269 1.00 0.00 C ATOM 930 OD1 ASN A 203 -8.982 -1.218 10.606 1.00 0.00 O ATOM 931 ND2 ASN A 203 -9.809 -3.287 10.879 1.00 0.00 N ATOM 0 H ASN A 203 -5.461 -1.850 7.779 1.00 0.00 H new ATOM 0 HA ASN A 203 -6.596 -1.583 9.663 1.00 0.00 H new ATOM 0 HB2 ASN A 203 -8.547 -2.480 8.186 1.00 0.00 H new ATOM 0 HB3 ASN A 203 -8.322 -3.998 9.033 1.00 0.00 H new ATOM 0 HD21 ASN A 203 -10.397 -2.997 11.660 1.00 0.00 H new ATOM 0 HD22 ASN A 203 -9.818 -4.258 10.567 1.00 0.00 H new ATOM 938 N GLY A 204 -4.805 -3.856 10.149 1.00 0.00 N ATOM 939 CA GLY A 204 -4.127 -4.736 11.084 1.00 0.00 C ATOM 940 C GLY A 204 -3.869 -6.125 10.529 1.00 0.00 C ATOM 941 O GLY A 204 -2.987 -6.834 11.014 1.00 0.00 O ATOM 0 H GLY A 204 -4.225 -3.512 9.384 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -3.177 -4.286 11.371 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -4.726 -4.821 11.991 1.00 0.00 H new ATOM 945 N VAL A 205 -4.634 -6.523 9.518 1.00 0.00 N ATOM 946 CA VAL A 205 -4.465 -7.844 8.919 1.00 0.00 C ATOM 947 C VAL A 205 -3.298 -7.858 7.937 1.00 0.00 C ATOM 948 O VAL A 205 -3.439 -7.464 6.780 1.00 0.00 O ATOM 949 CB VAL A 205 -5.746 -8.315 8.199 1.00 0.00 C ATOM 950 CG1 VAL A 205 -6.884 -8.484 9.193 1.00 0.00 C ATOM 951 CG2 VAL A 205 -6.133 -7.344 7.093 1.00 0.00 C ATOM 0 H VAL A 205 -5.371 -5.956 9.098 1.00 0.00 H new ATOM 0 HA VAL A 205 -4.254 -8.533 9.737 1.00 0.00 H new ATOM 0 HB VAL A 205 -5.545 -9.283 7.741 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -7.779 -8.817 8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -6.606 -9.226 9.942 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -7.084 -7.531 9.683 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -7.039 -7.697 6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -6.313 -6.358 7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -5.324 -7.281 6.365 1.00 0.00 H new ATOM 961 N CYS A 206 -2.140 -8.312 8.412 1.00 0.00 N ATOM 962 CA CYS A 206 -0.942 -8.374 7.582 1.00 0.00 C ATOM 963 C CYS A 206 -0.841 -9.714 6.863 1.00 0.00 C ATOM 964 O CYS A 206 -0.394 -10.707 7.436 1.00 0.00 O ATOM 965 CB CYS A 206 0.307 -8.147 8.435 1.00 0.00 C ATOM 966 SG CYS A 206 1.846 -8.089 7.488 1.00 0.00 S ATOM 0 H CYS A 206 -2.007 -8.642 9.368 1.00 0.00 H new ATOM 0 HA CYS A 206 -1.013 -7.586 6.832 1.00 0.00 H new ATOM 0 HB2 CYS A 206 0.195 -7.212 8.983 1.00 0.00 H new ATOM 0 HB3 CYS A 206 0.378 -8.944 9.175 1.00 0.00 H new ATOM 0 HG CYS A 206 2.845 -7.891 8.296 1.00 0.00 H new ATOM 972 N MET A 207 -1.254 -9.730 5.601 1.00 0.00 N ATOM 973 CA MET A 207 -1.205 -10.947 4.796 1.00 0.00 C ATOM 974 C MET A 207 -0.538 -10.680 3.449 1.00 0.00 C ATOM 975 O MET A 207 -1.166 -10.162 2.524 1.00 0.00 O ATOM 976 CB MET A 207 -2.614 -11.501 4.585 1.00 0.00 C ATOM 977 CG MET A 207 -3.148 -12.278 5.778 1.00 0.00 C ATOM 978 SD MET A 207 -2.498 -13.958 5.860 1.00 0.00 S ATOM 979 CE MET A 207 -1.258 -13.778 7.139 1.00 0.00 C ATOM 0 H MET A 207 -1.626 -8.916 5.113 1.00 0.00 H new ATOM 0 HA MET A 207 -0.611 -11.687 5.333 1.00 0.00 H new ATOM 0 HB2 MET A 207 -3.291 -10.675 4.367 1.00 0.00 H new ATOM 0 HB3 MET A 207 -2.612 -12.151 3.710 1.00 0.00 H new ATOM 0 HG2 MET A 207 -2.892 -11.748 6.696 1.00 0.00 H new ATOM 0 HG3 MET A 207 -4.236 -12.316 5.725 1.00 0.00 H new ATOM 0 HE1 MET A 207 -1.174 -14.710 7.698 1.00 0.00 H new ATOM 0 HE2 MET A 207 -0.297 -13.540 6.683 1.00 0.00 H new ATOM 0 HE3 MET A 207 -1.548 -12.974 7.816 1.00 0.00 H new ATOM 989 N GLU A 208 0.738 -11.036 3.348 1.00 0.00 N ATOM 990 CA GLU A 208 1.492 -10.833 2.117 1.00 0.00 C ATOM 991 C GLU A 208 1.087 -11.846 1.051 1.00 0.00 C ATOM 992 O GLU A 208 1.438 -13.023 1.132 1.00 0.00 O ATOM 993 CB GLU A 208 2.994 -10.938 2.392 1.00 0.00 C ATOM 994 CG GLU A 208 3.855 -10.283 1.325 1.00 0.00 C ATOM 995 CD GLU A 208 5.253 -9.966 1.818 1.00 0.00 C ATOM 996 OE1 GLU A 208 5.377 -9.304 2.870 1.00 0.00 O ATOM 997 OE2 GLU A 208 6.226 -10.379 1.151 1.00 0.00 O ATOM 0 H GLU A 208 1.271 -11.466 4.103 1.00 0.00 H new ATOM 0 HA GLU A 208 1.265 -9.834 1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 208 3.211 -10.478 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 208 3.267 -11.990 2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 208 3.920 -10.943 0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 208 3.375 -9.364 0.990 1.00 0.00 H new ATOM 1004 N GLY A 209 0.348 -11.378 0.050 1.00 0.00 N ATOM 1005 CA GLY A 209 -0.092 -12.252 -1.021 1.00 0.00 C ATOM 1006 C GLY A 209 -1.603 -12.382 -1.093 1.00 0.00 C ATOM 1007 O GLY A 209 -2.121 -13.248 -1.797 1.00 0.00 O ATOM 0 H GLY A 209 0.046 -10.408 -0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 209 0.281 -11.870 -1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 209 0.347 -13.240 -0.881 1.00 0.00 H new ATOM 1011 N LYS A 210 -2.314 -11.523 -0.366 1.00 0.00 N ATOM 1012 CA LYS A 210 -3.774 -11.557 -0.360 1.00 0.00 C ATOM 1013 C LYS A 210 -4.335 -11.437 -1.774 1.00 0.00 C ATOM 1014 O LYS A 210 -3.641 -11.004 -2.695 1.00 0.00 O ATOM 1015 CB LYS A 210 -4.331 -10.433 0.514 1.00 0.00 C ATOM 1016 CG LYS A 210 -4.304 -10.748 2.001 1.00 0.00 C ATOM 1017 CD LYS A 210 -5.028 -12.050 2.310 1.00 0.00 C ATOM 1018 CE LYS A 210 -5.974 -11.898 3.491 1.00 0.00 C ATOM 1019 NZ LYS A 210 -6.448 -13.215 4.000 1.00 0.00 N ATOM 0 H LYS A 210 -1.905 -10.798 0.224 1.00 0.00 H new ATOM 0 HA LYS A 210 -4.081 -12.518 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 210 -3.756 -9.525 0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 210 -5.358 -10.226 0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 210 -3.270 -10.816 2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 210 -4.768 -9.932 2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 210 -5.589 -12.372 1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 210 -4.298 -12.830 2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 210 -5.469 -11.360 4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 210 -6.832 -11.295 3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 -7.090 -13.066 4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 -6.953 -13.719 3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 -5.632 -13.782 4.309 1.00 0.00 H new ATOM 1033 N GLN A 211 -5.596 -11.823 -1.936 1.00 0.00 N ATOM 1034 CA GLN A 211 -6.259 -11.759 -3.235 1.00 0.00 C ATOM 1035 C GLN A 211 -6.911 -10.399 -3.446 1.00 0.00 C ATOM 1036 O GLN A 211 -7.167 -9.667 -2.490 1.00 0.00 O ATOM 1037 CB GLN A 211 -7.315 -12.858 -3.349 1.00 0.00 C ATOM 1038 CG GLN A 211 -6.733 -14.261 -3.382 1.00 0.00 C ATOM 1039 CD GLN A 211 -6.208 -14.640 -4.753 1.00 0.00 C ATOM 1040 OE1 GLN A 211 -6.862 -15.366 -5.502 1.00 0.00 O ATOM 1041 NE2 GLN A 211 -5.021 -14.149 -5.089 1.00 0.00 N ATOM 0 H GLN A 211 -6.181 -12.184 -1.183 1.00 0.00 H new ATOM 0 HA GLN A 211 -5.502 -11.907 -4.005 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -8.002 -12.779 -2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -7.900 -12.695 -4.254 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -5.925 -14.333 -2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -7.498 -14.976 -3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -4.513 -13.551 -4.437 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -4.617 -14.370 -5.999 1.00 0.00 H new ATOM 1050 N HIS A 212 -7.185 -10.070 -4.704 1.00 0.00 N ATOM 1051 CA HIS A 212 -7.816 -8.798 -5.041 1.00 0.00 C ATOM 1052 C HIS A 212 -9.054 -8.569 -4.180 1.00 0.00 C ATOM 1053 O HIS A 212 -9.149 -7.571 -3.467 1.00 0.00 O ATOM 1054 CB HIS A 212 -8.195 -8.766 -6.523 1.00 0.00 C ATOM 1055 CG HIS A 212 -8.397 -7.382 -7.057 1.00 0.00 C ATOM 1056 ND1 HIS A 212 -8.135 -6.246 -6.320 1.00 0.00 N ATOM 1057 CD2 HIS A 212 -8.837 -6.951 -8.264 1.00 0.00 C ATOM 1058 CE1 HIS A 212 -8.406 -5.178 -7.049 1.00 0.00 C ATOM 1059 NE2 HIS A 212 -8.832 -5.579 -8.232 1.00 0.00 N ATOM 0 H HIS A 212 -6.980 -10.665 -5.507 1.00 0.00 H new ATOM 0 HA HIS A 212 -7.101 -7.999 -4.844 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -7.413 -9.259 -7.101 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -9.110 -9.340 -6.669 1.00 0.00 H new ATOM 0 HD2 HIS A 212 -9.136 -7.571 -9.096 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -8.297 -4.152 -6.731 1.00 0.00 H new ATOM 0 HE2 HIS A 212 -9.112 -4.968 -8.999 1.00 0.00 H new ATOM 1068 N GLY A 213 -9.993 -9.507 -4.242 1.00 0.00 N ATOM 1069 CA GLY A 213 -11.204 -9.394 -3.452 1.00 0.00 C ATOM 1070 C GLY A 213 -10.905 -9.340 -1.968 1.00 0.00 C ATOM 1071 O GLY A 213 -11.593 -8.655 -1.211 1.00 0.00 O ATOM 0 H GLY A 213 -9.937 -10.342 -4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -11.747 -8.496 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -11.855 -10.243 -3.661 1.00 0.00 H new ATOM 1075 N ASP A 214 -9.864 -10.058 -1.556 1.00 0.00 N ATOM 1076 CA ASP A 214 -9.458 -10.085 -0.157 1.00 0.00 C ATOM 1077 C ASP A 214 -8.940 -8.718 0.270 1.00 0.00 C ATOM 1078 O ASP A 214 -9.294 -8.212 1.335 1.00 0.00 O ATOM 1079 CB ASP A 214 -8.379 -11.148 0.061 1.00 0.00 C ATOM 1080 CG ASP A 214 -8.956 -12.545 0.175 1.00 0.00 C ATOM 1081 OD1 ASP A 214 -9.674 -12.969 -0.755 1.00 0.00 O ATOM 1082 OD2 ASP A 214 -8.690 -13.215 1.195 1.00 0.00 O ATOM 0 H ASP A 214 -9.287 -10.629 -2.173 1.00 0.00 H new ATOM 0 HA ASP A 214 -10.327 -10.336 0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 214 -7.671 -11.117 -0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 214 -7.821 -10.914 0.967 1.00 0.00 H new ATOM 1087 N VAL A 215 -8.109 -8.118 -0.577 1.00 0.00 N ATOM 1088 CA VAL A 215 -7.553 -6.802 -0.295 1.00 0.00 C ATOM 1089 C VAL A 215 -8.635 -5.736 -0.403 1.00 0.00 C ATOM 1090 O VAL A 215 -8.664 -4.783 0.374 1.00 0.00 O ATOM 1091 CB VAL A 215 -6.402 -6.455 -1.260 1.00 0.00 C ATOM 1092 CG1 VAL A 215 -5.744 -5.142 -0.861 1.00 0.00 C ATOM 1093 CG2 VAL A 215 -5.380 -7.581 -1.300 1.00 0.00 C ATOM 0 H VAL A 215 -7.807 -8.523 -1.463 1.00 0.00 H new ATOM 0 HA VAL A 215 -7.159 -6.826 0.721 1.00 0.00 H new ATOM 0 HB VAL A 215 -6.817 -6.336 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 215 -4.934 -4.915 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 215 -6.483 -4.341 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 215 -5.343 -5.228 0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 215 -4.575 -7.318 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 215 -4.970 -7.736 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 215 -5.862 -8.498 -1.640 1.00 0.00 H new ATOM 1103 N VAL A 216 -9.532 -5.913 -1.369 1.00 0.00 N ATOM 1104 CA VAL A 216 -10.627 -4.975 -1.577 1.00 0.00 C ATOM 1105 C VAL A 216 -11.620 -5.053 -0.424 1.00 0.00 C ATOM 1106 O VAL A 216 -12.108 -4.032 0.061 1.00 0.00 O ATOM 1107 CB VAL A 216 -11.363 -5.253 -2.904 1.00 0.00 C ATOM 1108 CG1 VAL A 216 -12.491 -4.252 -3.118 1.00 0.00 C ATOM 1109 CG2 VAL A 216 -10.386 -5.222 -4.070 1.00 0.00 C ATOM 0 H VAL A 216 -9.521 -6.698 -2.020 1.00 0.00 H new ATOM 0 HA VAL A 216 -10.196 -3.975 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 216 -11.803 -6.249 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 216 -12.995 -4.468 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 216 -13.205 -4.328 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 216 -12.081 -3.243 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 216 -10.921 -5.420 -4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 216 -9.916 -4.240 -4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 216 -9.620 -5.984 -3.923 1.00 0.00 H new ATOM 1119 N SER A 217 -11.910 -6.274 0.016 1.00 0.00 N ATOM 1120 CA SER A 217 -12.837 -6.485 1.119 1.00 0.00 C ATOM 1121 C SER A 217 -12.263 -5.925 2.414 1.00 0.00 C ATOM 1122 O SER A 217 -12.979 -5.324 3.215 1.00 0.00 O ATOM 1123 CB SER A 217 -13.140 -7.975 1.285 1.00 0.00 C ATOM 1124 OG SER A 217 -13.841 -8.482 0.164 1.00 0.00 O ATOM 0 H SER A 217 -11.516 -7.130 -0.375 1.00 0.00 H new ATOM 0 HA SER A 217 -13.764 -5.960 0.890 1.00 0.00 H new ATOM 0 HB2 SER A 217 -12.209 -8.526 1.415 1.00 0.00 H new ATOM 0 HB3 SER A 217 -13.731 -8.131 2.188 1.00 0.00 H new ATOM 0 HG SER A 217 -13.210 -8.653 -0.566 1.00 0.00 H new ATOM 1130 N ALA A 218 -10.961 -6.121 2.611 1.00 0.00 N ATOM 1131 CA ALA A 218 -10.287 -5.630 3.808 1.00 0.00 C ATOM 1132 C ALA A 218 -10.501 -4.129 3.974 1.00 0.00 C ATOM 1133 O ALA A 218 -10.694 -3.637 5.085 1.00 0.00 O ATOM 1134 CB ALA A 218 -8.801 -5.952 3.748 1.00 0.00 C ATOM 0 H ALA A 218 -10.354 -6.616 1.958 1.00 0.00 H new ATOM 0 HA ALA A 218 -10.718 -6.132 4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 218 -8.311 -5.580 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 218 -8.665 -7.031 3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 218 -8.361 -5.476 2.872 1.00 0.00 H new ATOM 1140 N ILE A 219 -10.471 -3.409 2.857 1.00 0.00 N ATOM 1141 CA ILE A 219 -10.669 -1.966 2.871 1.00 0.00 C ATOM 1142 C ILE A 219 -12.115 -1.623 3.216 1.00 0.00 C ATOM 1143 O ILE A 219 -12.390 -0.599 3.841 1.00 0.00 O ATOM 1144 CB ILE A 219 -10.310 -1.337 1.509 1.00 0.00 C ATOM 1145 CG1 ILE A 219 -8.872 -1.691 1.122 1.00 0.00 C ATOM 1146 CG2 ILE A 219 -10.500 0.173 1.548 1.00 0.00 C ATOM 1147 CD1 ILE A 219 -7.826 -1.013 1.980 1.00 0.00 C ATOM 0 H ILE A 219 -10.311 -3.803 1.930 1.00 0.00 H new ATOM 0 HA ILE A 219 -10.006 -1.556 3.633 1.00 0.00 H new ATOM 0 HB ILE A 219 -10.981 -1.744 0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -8.742 -2.771 1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -8.708 -1.417 0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -10.241 0.597 0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -11.540 0.403 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -9.855 0.601 2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -6.832 -1.312 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -7.928 0.069 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 219 -7.963 -1.307 3.021 1.00 0.00 H new ATOM 1159 N ARG A 220 -13.035 -2.491 2.804 1.00 0.00 N ATOM 1160 CA ARG A 220 -14.454 -2.286 3.069 1.00 0.00 C ATOM 1161 C ARG A 220 -14.766 -2.504 4.545 1.00 0.00 C ATOM 1162 O ARG A 220 -15.604 -1.811 5.122 1.00 0.00 O ATOM 1163 CB ARG A 220 -15.293 -3.236 2.212 1.00 0.00 C ATOM 1164 CG ARG A 220 -16.791 -3.089 2.424 1.00 0.00 C ATOM 1165 CD ARG A 220 -17.543 -4.325 1.957 1.00 0.00 C ATOM 1166 NE ARG A 220 -18.849 -4.448 2.601 1.00 0.00 N ATOM 1167 CZ ARG A 220 -19.585 -5.557 2.577 1.00 0.00 C ATOM 1168 NH1 ARG A 220 -19.147 -6.638 1.943 1.00 0.00 N ATOM 1169 NH2 ARG A 220 -20.762 -5.586 3.187 1.00 0.00 N ATOM 0 H ARG A 220 -12.822 -3.343 2.285 1.00 0.00 H new ATOM 0 HA ARG A 220 -14.704 -1.257 2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 220 -15.065 -3.060 1.161 1.00 0.00 H new ATOM 0 HB3 ARG A 220 -15.003 -4.263 2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 220 -16.995 -2.915 3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 220 -17.152 -2.215 1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 220 -17.675 -4.282 0.876 1.00 0.00 H new ATOM 0 HD3 ARG A 220 -16.948 -5.213 2.171 1.00 0.00 H new ATOM 0 HE ARG A 220 -19.218 -3.637 3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 220 -18.243 -6.621 1.471 1.00 0.00 H new ATOM 0 HH12 ARG A 220 -19.715 -7.485 1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 220 -21.104 -4.758 3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 220 -21.325 -6.436 3.168 1.00 0.00 H new ATOM 1183 N ALA A 221 -14.085 -3.471 5.151 1.00 0.00 N ATOM 1184 CA ALA A 221 -14.286 -3.782 6.562 1.00 0.00 C ATOM 1185 C ALA A 221 -13.442 -2.881 7.463 1.00 0.00 C ATOM 1186 O ALA A 221 -13.410 -3.066 8.679 1.00 0.00 O ATOM 1187 CB ALA A 221 -13.962 -5.244 6.829 1.00 0.00 C ATOM 0 H ALA A 221 -13.388 -4.054 4.687 1.00 0.00 H new ATOM 0 HA ALA A 221 -15.334 -3.598 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -14.116 -5.464 7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -14.615 -5.877 6.228 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -12.923 -5.440 6.565 1.00 0.00 H new ATOM 1193 N GLY A 222 -12.756 -1.908 6.865 1.00 0.00 N ATOM 1194 CA GLY A 222 -11.923 -1.006 7.640 1.00 0.00 C ATOM 1195 C GLY A 222 -12.679 0.208 8.152 1.00 0.00 C ATOM 1196 O GLY A 222 -12.069 1.178 8.600 1.00 0.00 O ATOM 0 H GLY A 222 -12.763 -1.730 5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -11.500 -1.548 8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -11.087 -0.674 7.025 1.00 0.00 H new ATOM 1200 N GLY A 223 -14.007 0.157 8.091 1.00 0.00 N ATOM 1201 CA GLY A 223 -14.818 1.269 8.560 1.00 0.00 C ATOM 1202 C GLY A 223 -14.374 2.605 7.992 1.00 0.00 C ATOM 1203 O GLY A 223 -14.100 2.718 6.797 1.00 0.00 O ATOM 0 H GLY A 223 -14.537 -0.634 7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -15.859 1.093 8.289 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -14.775 1.310 9.648 1.00 0.00 H new ATOM 1207 N ASP A 224 -14.305 3.618 8.850 1.00 0.00 N ATOM 1208 CA ASP A 224 -13.894 4.953 8.428 1.00 0.00 C ATOM 1209 C ASP A 224 -12.376 5.104 8.477 1.00 0.00 C ATOM 1210 O ASP A 224 -11.801 5.923 7.761 1.00 0.00 O ATOM 1211 CB ASP A 224 -14.552 6.014 9.311 1.00 0.00 C ATOM 1212 CG ASP A 224 -15.987 6.293 8.908 1.00 0.00 C ATOM 1213 OD1 ASP A 224 -16.870 5.482 9.256 1.00 0.00 O ATOM 1214 OD2 ASP A 224 -16.227 7.324 8.244 1.00 0.00 O ATOM 0 H ASP A 224 -14.528 3.540 9.842 1.00 0.00 H new ATOM 0 HA ASP A 224 -14.218 5.093 7.397 1.00 0.00 H new ATOM 0 HB2 ASP A 224 -14.527 5.685 10.350 1.00 0.00 H new ATOM 0 HB3 ASP A 224 -13.976 6.938 9.255 1.00 0.00 H new ATOM 1219 N GLU A 225 -11.731 4.307 9.322 1.00 0.00 N ATOM 1220 CA GLU A 225 -10.279 4.352 9.460 1.00 0.00 C ATOM 1221 C GLU A 225 -9.644 3.104 8.855 1.00 0.00 C ATOM 1222 O GLU A 225 -9.859 1.992 9.336 1.00 0.00 O ATOM 1223 CB GLU A 225 -9.888 4.475 10.934 1.00 0.00 C ATOM 1224 CG GLU A 225 -8.480 5.004 11.147 1.00 0.00 C ATOM 1225 CD GLU A 225 -7.999 4.822 12.573 1.00 0.00 C ATOM 1226 OE1 GLU A 225 -8.628 5.393 13.489 1.00 0.00 O ATOM 1227 OE2 GLU A 225 -6.994 4.108 12.774 1.00 0.00 O ATOM 0 H GLU A 225 -12.190 3.622 9.922 1.00 0.00 H new ATOM 0 HA GLU A 225 -9.911 5.226 8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 225 -10.595 5.136 11.435 1.00 0.00 H new ATOM 0 HB3 GLU A 225 -9.975 3.497 11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 225 -7.797 4.492 10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 225 -8.451 6.063 10.890 1.00 0.00 H new ATOM 1234 N THR A 226 -8.868 3.294 7.792 1.00 0.00 N ATOM 1235 CA THR A 226 -8.215 2.177 7.119 1.00 0.00 C ATOM 1236 C THR A 226 -6.705 2.188 7.342 1.00 0.00 C ATOM 1237 O THR A 226 -5.977 2.938 6.692 1.00 0.00 O ATOM 1238 CB THR A 226 -8.518 2.216 5.620 1.00 0.00 C ATOM 1239 OG1 THR A 226 -9.912 2.335 5.394 1.00 0.00 O ATOM 1240 CG2 THR A 226 -8.037 0.987 4.880 1.00 0.00 C ATOM 0 H THR A 226 -8.677 4.207 7.380 1.00 0.00 H new ATOM 0 HA THR A 226 -8.611 1.257 7.548 1.00 0.00 H new ATOM 0 HB THR A 226 -7.980 3.084 5.239 1.00 0.00 H new ATOM 0 HG1 THR A 226 -10.089 2.329 4.430 1.00 0.00 H new ATOM 0 HG21 THR A 226 -8.284 1.079 3.822 1.00 0.00 H new ATOM 0 HG22 THR A 226 -6.957 0.893 4.994 1.00 0.00 H new ATOM 0 HG23 THR A 226 -8.523 0.102 5.290 1.00 0.00 H new ATOM 1248 N LYS A 227 -6.242 1.337 8.253 1.00 0.00 N ATOM 1249 CA LYS A 227 -4.817 1.231 8.551 1.00 0.00 C ATOM 1250 C LYS A 227 -4.133 0.353 7.509 1.00 0.00 C ATOM 1251 O LYS A 227 -4.186 -0.875 7.588 1.00 0.00 O ATOM 1252 CB LYS A 227 -4.605 0.644 9.950 1.00 0.00 C ATOM 1253 CG LYS A 227 -5.587 1.166 10.987 1.00 0.00 C ATOM 1254 CD LYS A 227 -5.126 0.849 12.402 1.00 0.00 C ATOM 1255 CE LYS A 227 -6.292 0.443 13.290 1.00 0.00 C ATOM 1256 NZ LYS A 227 -5.891 0.331 14.720 1.00 0.00 N ATOM 0 H LYS A 227 -6.834 0.710 8.798 1.00 0.00 H new ATOM 0 HA LYS A 227 -4.379 2.229 8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 227 -4.690 -0.441 9.896 1.00 0.00 H new ATOM 0 HB3 LYS A 227 -3.590 0.868 10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 227 -5.699 2.244 10.873 1.00 0.00 H new ATOM 0 HG3 LYS A 227 -6.568 0.724 10.815 1.00 0.00 H new ATOM 0 HD2 LYS A 227 -4.391 0.045 12.375 1.00 0.00 H new ATOM 0 HD3 LYS A 227 -4.629 1.721 12.828 1.00 0.00 H new ATOM 0 HE2 LYS A 227 -7.093 1.176 13.194 1.00 0.00 H new ATOM 0 HE3 LYS A 227 -6.692 -0.512 12.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 -6.715 0.052 15.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 -5.144 -0.387 14.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 -5.534 1.249 15.053 1.00 0.00 H new ATOM 1270 N LEU A 228 -3.512 0.986 6.521 1.00 0.00 N ATOM 1271 CA LEU A 228 -2.844 0.255 5.450 1.00 0.00 C ATOM 1272 C LEU A 228 -1.324 0.344 5.553 1.00 0.00 C ATOM 1273 O LEU A 228 -0.758 1.431 5.663 1.00 0.00 O ATOM 1274 CB LEU A 228 -3.296 0.796 4.091 1.00 0.00 C ATOM 1275 CG LEU A 228 -4.717 0.410 3.679 1.00 0.00 C ATOM 1276 CD1 LEU A 228 -5.238 1.362 2.613 1.00 0.00 C ATOM 1277 CD2 LEU A 228 -4.754 -1.026 3.177 1.00 0.00 C ATOM 0 H LEU A 228 -3.457 2.001 6.439 1.00 0.00 H new ATOM 0 HA LEU A 228 -3.123 -0.794 5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -3.222 1.883 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -2.604 0.441 3.328 1.00 0.00 H new ATOM 0 HG LEU A 228 -5.363 0.485 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -6.250 1.073 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -5.247 2.379 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -4.591 1.317 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -5.773 -1.284 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -4.095 -1.127 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -4.420 -1.697 3.969 1.00 0.00 H new ATOM 1289 N LEU A 229 -0.672 -0.813 5.484 1.00 0.00 N ATOM 1290 CA LEU A 229 0.784 -0.882 5.534 1.00 0.00 C ATOM 1291 C LEU A 229 1.312 -1.303 4.169 1.00 0.00 C ATOM 1292 O LEU A 229 1.117 -2.442 3.747 1.00 0.00 O ATOM 1293 CB LEU A 229 1.243 -1.877 6.604 1.00 0.00 C ATOM 1294 CG LEU A 229 2.727 -1.804 6.970 1.00 0.00 C ATOM 1295 CD1 LEU A 229 2.988 -0.660 7.940 1.00 0.00 C ATOM 1296 CD2 LEU A 229 3.194 -3.126 7.561 1.00 0.00 C ATOM 0 H LEU A 229 -1.132 -1.719 5.393 1.00 0.00 H new ATOM 0 HA LEU A 229 1.178 0.101 5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 229 0.654 -1.712 7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 229 1.020 -2.886 6.258 1.00 0.00 H new ATOM 0 HG LEU A 229 3.296 -1.613 6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 229 4.049 -0.627 8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 229 2.693 0.283 7.479 1.00 0.00 H new ATOM 0 HD13 LEU A 229 2.409 -0.815 8.850 1.00 0.00 H new ATOM 0 HD21 LEU A 229 4.252 -3.057 7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 229 2.618 -3.347 8.460 1.00 0.00 H new ATOM 0 HD23 LEU A 229 3.048 -3.923 6.832 1.00 0.00 H new ATOM 1308 N VAL A 230 1.955 -0.377 3.468 1.00 0.00 N ATOM 1309 CA VAL A 230 2.474 -0.666 2.136 1.00 0.00 C ATOM 1310 C VAL A 230 3.997 -0.702 2.104 1.00 0.00 C ATOM 1311 O VAL A 230 4.663 -0.499 3.120 1.00 0.00 O ATOM 1312 CB VAL A 230 1.975 0.368 1.108 1.00 0.00 C ATOM 1313 CG1 VAL A 230 0.458 0.345 1.022 1.00 0.00 C ATOM 1314 CG2 VAL A 230 2.477 1.763 1.459 1.00 0.00 C ATOM 0 H VAL A 230 2.129 0.573 3.796 1.00 0.00 H new ATOM 0 HA VAL A 230 2.100 -1.655 1.872 1.00 0.00 H new ATOM 0 HB VAL A 230 2.376 0.101 0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 230 0.124 1.082 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 230 0.126 -0.647 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 230 0.035 0.584 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 230 2.113 2.477 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 230 2.111 2.044 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 230 3.567 1.767 1.462 1.00 0.00 H new ATOM 1324 N VAL A 231 4.536 -0.961 0.916 1.00 0.00 N ATOM 1325 CA VAL A 231 5.978 -1.026 0.714 1.00 0.00 C ATOM 1326 C VAL A 231 6.414 0.028 -0.300 1.00 0.00 C ATOM 1327 O VAL A 231 5.581 0.607 -0.993 1.00 0.00 O ATOM 1328 CB VAL A 231 6.411 -2.423 0.219 1.00 0.00 C ATOM 1329 CG1 VAL A 231 7.926 -2.556 0.234 1.00 0.00 C ATOM 1330 CG2 VAL A 231 5.768 -3.514 1.064 1.00 0.00 C ATOM 0 H VAL A 231 3.989 -1.131 0.072 1.00 0.00 H new ATOM 0 HA VAL A 231 6.458 -0.834 1.674 1.00 0.00 H new ATOM 0 HB VAL A 231 6.070 -2.540 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 231 8.208 -3.548 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 231 8.364 -1.801 -0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 231 8.294 -2.414 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 231 6.085 -4.491 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 231 6.075 -3.397 2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 231 4.683 -3.436 0.995 1.00 0.00 H new ATOM 1340 N ASP A 232 7.713 0.292 -0.373 1.00 0.00 N ATOM 1341 CA ASP A 232 8.227 1.299 -1.295 1.00 0.00 C ATOM 1342 C ASP A 232 8.795 0.682 -2.564 1.00 0.00 C ATOM 1343 O ASP A 232 9.863 0.070 -2.547 1.00 0.00 O ATOM 1344 CB ASP A 232 9.302 2.140 -0.606 1.00 0.00 C ATOM 1345 CG ASP A 232 9.547 3.459 -1.313 1.00 0.00 C ATOM 1346 OD1 ASP A 232 8.668 3.889 -2.089 1.00 0.00 O ATOM 1347 OD2 ASP A 232 10.617 4.062 -1.090 1.00 0.00 O ATOM 0 H ASP A 232 8.425 -0.173 0.190 1.00 0.00 H new ATOM 0 HA ASP A 232 7.387 1.932 -1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 232 9.003 2.333 0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 232 10.233 1.574 -0.567 1.00 0.00 H new ATOM 1352 N ARG A 233 8.092 0.885 -3.675 1.00 0.00 N ATOM 1353 CA ARG A 233 8.552 0.384 -4.961 1.00 0.00 C ATOM 1354 C ARG A 233 9.573 1.351 -5.547 1.00 0.00 C ATOM 1355 O ARG A 233 10.367 0.985 -6.413 1.00 0.00 O ATOM 1356 CB ARG A 233 7.394 0.206 -5.944 1.00 0.00 C ATOM 1357 CG ARG A 233 7.816 -0.471 -7.241 1.00 0.00 C ATOM 1358 CD ARG A 233 6.838 -0.198 -8.371 1.00 0.00 C ATOM 1359 NE ARG A 233 5.479 -0.619 -8.048 1.00 0.00 N ATOM 1360 CZ ARG A 233 4.423 -0.348 -8.812 1.00 0.00 C ATOM 1361 NH1 ARG A 233 4.569 0.345 -9.935 1.00 0.00 N ATOM 1362 NH2 ARG A 233 3.220 -0.771 -8.456 1.00 0.00 N ATOM 0 H ARG A 233 7.207 1.390 -3.708 1.00 0.00 H new ATOM 0 HA ARG A 233 9.008 -0.592 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 233 6.610 -0.384 -5.470 1.00 0.00 H new ATOM 0 HB3 ARG A 233 6.965 1.182 -6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 233 8.807 -0.120 -7.527 1.00 0.00 H new ATOM 0 HG3 ARG A 233 7.893 -1.546 -7.080 1.00 0.00 H new ATOM 0 HD2 ARG A 233 6.840 0.868 -8.599 1.00 0.00 H new ATOM 0 HD3 ARG A 233 7.172 -0.717 -9.269 1.00 0.00 H new ATOM 0 HE ARG A 233 5.330 -1.150 -7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 233 5.493 0.672 -10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 233 3.757 0.550 -10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 233 3.101 -1.305 -7.595 1.00 0.00 H new ATOM 0 HH22 ARG A 233 2.412 -0.563 -9.042 1.00 0.00 H new