USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 266 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 218 LYS NZ :NH3+ -163:sc= -0.0352 (180deg=-0.359) USER MOD Single : A 222 LYS NZ :NH3+ -161:sc= -0.0573 (180deg=-0.559) USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 228 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 SER OG : rot -23:sc= 0.62 USER MOD Single : A 237 LYS NZ :NH3+ 148:sc= -0.0126 (180deg=-0.581) USER MOD Single : A 240 GLN : amide:sc= -0.74 K(o=-0.74,f=-0.19) USER MOD Single : A 242 HIS : no HD1:sc= -0.0287 X(o=-0.029,f=-0.029) USER MOD Single : A 243 GLN : amide:sc= -0.01 K(o=-0.01,f=-1.7!) USER MOD Single : A 246 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 247 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 217 44.495 -1.519 6.872 1.00 0.00 N ATOM 176 CA SER A 217 44.151 -1.229 5.485 1.00 0.00 C ATOM 177 C SER A 217 42.678 -0.852 5.369 1.00 0.00 C ATOM 178 O SER A 217 41.845 -1.322 6.141 1.00 0.00 O ATOM 179 CB SER A 217 44.433 -2.452 4.612 1.00 0.00 C ATOM 180 OG SER A 217 44.097 -2.154 3.264 1.00 0.00 O ATOM 0 HA SER A 217 44.760 -0.391 5.146 1.00 0.00 H new ATOM 0 HB2 SER A 217 45.485 -2.730 4.684 1.00 0.00 H new ATOM 0 HB3 SER A 217 43.853 -3.305 4.963 1.00 0.00 H new ATOM 0 HG SER A 217 44.278 -2.936 2.701 1.00 0.00 H new ATOM 186 N LYS A 218 42.367 0.004 4.401 1.00 0.00 N ATOM 187 CA LYS A 218 40.993 0.444 4.195 1.00 0.00 C ATOM 188 C LYS A 218 40.104 -0.739 3.825 1.00 0.00 C ATOM 189 O LYS A 218 38.948 -0.813 4.241 1.00 0.00 O ATOM 190 CB LYS A 218 40.940 1.494 3.085 1.00 0.00 C ATOM 191 CG LYS A 218 39.517 2.044 2.967 1.00 0.00 C ATOM 192 CD LYS A 218 39.489 3.177 1.938 1.00 0.00 C ATOM 193 CE LYS A 218 38.073 3.748 1.847 1.00 0.00 C ATOM 194 NZ LYS A 218 37.157 2.721 1.277 1.00 0.00 N ATOM 0 H LYS A 218 43.043 0.404 3.751 1.00 0.00 H new ATOM 0 HA LYS A 218 40.628 0.883 5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 218 41.637 2.303 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 218 41.250 1.053 2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 218 38.833 1.250 2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 218 39.176 2.410 3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 218 40.191 3.960 2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 218 39.806 2.806 0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 218 37.727 4.050 2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 218 38.069 4.641 1.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 36.283 3.179 0.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 37.622 2.247 0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 36.926 2.018 2.008 1.00 0.00 H new ATOM 208 N ASP A 219 40.649 -1.658 3.036 1.00 0.00 N ATOM 209 CA ASP A 219 39.894 -2.831 2.612 1.00 0.00 C ATOM 210 C ASP A 219 39.534 -3.699 3.814 1.00 0.00 C ATOM 211 O ASP A 219 38.425 -4.228 3.899 1.00 0.00 O ATOM 212 CB ASP A 219 40.719 -3.651 1.618 1.00 0.00 C ATOM 213 CG ASP A 219 39.906 -4.843 1.122 1.00 0.00 C ATOM 214 OD1 ASP A 219 38.866 -5.106 1.702 1.00 0.00 O ATOM 215 OD2 ASP A 219 40.330 -5.467 0.164 1.00 0.00 O ATOM 0 H ASP A 219 41.604 -1.615 2.679 1.00 0.00 H new ATOM 0 HA ASP A 219 38.975 -2.495 2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 219 41.014 -3.026 0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 219 41.636 -3.999 2.094 1.00 0.00 H new ATOM 220 N GLU A 220 40.477 -3.843 4.740 1.00 0.00 N ATOM 221 CA GLU A 220 40.248 -4.649 5.931 1.00 0.00 C ATOM 222 C GLU A 220 39.170 -4.016 6.804 1.00 0.00 C ATOM 223 O GLU A 220 38.340 -4.708 7.370 1.00 0.00 O ATOM 224 CB GLU A 220 41.544 -4.782 6.731 1.00 0.00 C ATOM 225 CG GLU A 220 41.321 -5.724 7.917 1.00 0.00 C ATOM 226 CD GLU A 220 42.622 -5.906 8.690 1.00 0.00 C ATOM 227 OE1 GLU A 220 43.660 -5.555 8.154 1.00 0.00 O ATOM 228 OE2 GLU A 220 42.560 -6.394 9.806 1.00 0.00 O ATOM 0 H GLU A 220 41.401 -3.414 4.688 1.00 0.00 H new ATOM 0 HA GLU A 220 39.914 -5.638 5.619 1.00 0.00 H new ATOM 0 HB2 GLU A 220 42.339 -5.167 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 220 41.866 -3.803 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 220 40.552 -5.319 8.574 1.00 0.00 H new ATOM 0 HG3 GLU A 220 40.961 -6.690 7.562 1.00 0.00 H new ATOM 235 N ILE A 221 39.198 -2.697 6.906 1.00 0.00 N ATOM 236 CA ILE A 221 38.215 -1.976 7.708 1.00 0.00 C ATOM 237 C ILE A 221 36.832 -2.083 7.081 1.00 0.00 C ATOM 238 O ILE A 221 35.815 -1.932 7.757 1.00 0.00 O ATOM 239 CB ILE A 221 38.615 -0.506 7.836 1.00 0.00 C ATOM 240 CG1 ILE A 221 39.942 -0.405 8.591 1.00 0.00 C ATOM 241 CG2 ILE A 221 37.534 0.256 8.609 1.00 0.00 C ATOM 242 CD1 ILE A 221 40.475 1.025 8.503 1.00 0.00 C ATOM 0 H ILE A 221 39.888 -2.103 6.446 1.00 0.00 H new ATOM 0 HA ILE A 221 38.185 -2.425 8.701 1.00 0.00 H new ATOM 0 HB ILE A 221 38.724 -0.073 6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 221 39.801 -0.688 9.634 1.00 0.00 H new ATOM 0 HG13 ILE A 221 40.667 -1.101 8.168 1.00 0.00 H new ATOM 0 HG21 ILE A 221 37.821 1.304 8.699 1.00 0.00 H new ATOM 0 HG22 ILE A 221 36.586 0.184 8.075 1.00 0.00 H new ATOM 0 HG23 ILE A 221 37.424 -0.177 9.603 1.00 0.00 H new ATOM 0 HD11 ILE A 221 41.420 1.095 9.041 1.00 0.00 H new ATOM 0 HD12 ILE A 221 40.632 1.291 7.458 1.00 0.00 H new ATOM 0 HD13 ILE A 221 39.753 1.710 8.947 1.00 0.00 H new ATOM 254 N LYS A 222 36.798 -2.302 5.768 1.00 0.00 N ATOM 255 CA LYS A 222 35.531 -2.390 5.052 1.00 0.00 C ATOM 256 C LYS A 222 34.518 -3.221 5.833 1.00 0.00 C ATOM 257 O LYS A 222 33.403 -2.772 6.089 1.00 0.00 O ATOM 258 CB LYS A 222 35.754 -3.029 3.679 1.00 0.00 C ATOM 259 CG LYS A 222 34.447 -3.005 2.883 1.00 0.00 C ATOM 260 CD LYS A 222 34.694 -3.554 1.476 1.00 0.00 C ATOM 261 CE LYS A 222 33.393 -3.499 0.669 1.00 0.00 C ATOM 262 NZ LYS A 222 32.364 -4.349 1.330 1.00 0.00 N ATOM 0 H LYS A 222 37.626 -2.421 5.184 1.00 0.00 H new ATOM 0 HA LYS A 222 35.138 -1.380 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 222 36.531 -2.490 3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 222 36.101 -4.056 3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 222 33.689 -3.603 3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 222 34.063 -1.986 2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 222 35.468 -2.971 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 222 35.056 -4.581 1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 222 33.040 -2.470 0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 222 33.569 -3.847 -0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 222 31.612 -4.576 0.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 222 32.804 -5.229 1.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 222 31.956 -3.836 2.138 1.00 0.00 H new ATOM 276 N ARG A 223 34.913 -4.429 6.205 1.00 0.00 N ATOM 277 CA ARG A 223 34.026 -5.311 6.953 1.00 0.00 C ATOM 278 C ARG A 223 33.712 -4.726 8.329 1.00 0.00 C ATOM 279 O ARG A 223 32.580 -4.800 8.803 1.00 0.00 O ATOM 280 CB ARG A 223 34.680 -6.691 7.106 1.00 0.00 C ATOM 281 CG ARG A 223 35.797 -6.625 8.150 1.00 0.00 C ATOM 282 CD ARG A 223 36.626 -7.904 8.097 1.00 0.00 C ATOM 283 NE ARG A 223 37.707 -7.837 9.077 1.00 0.00 N ATOM 284 CZ ARG A 223 37.521 -8.224 10.337 1.00 0.00 C ATOM 285 NH1 ARG A 223 36.353 -8.669 10.714 1.00 0.00 N ATOM 286 NH2 ARG A 223 38.503 -8.157 11.191 1.00 0.00 N ATOM 0 H ARG A 223 35.833 -4.820 6.004 1.00 0.00 H new ATOM 0 HA ARG A 223 33.090 -5.411 6.403 1.00 0.00 H new ATOM 0 HB2 ARG A 223 33.933 -7.426 7.406 1.00 0.00 H new ATOM 0 HB3 ARG A 223 35.084 -7.020 6.149 1.00 0.00 H new ATOM 0 HG2 ARG A 223 36.433 -5.760 7.962 1.00 0.00 H new ATOM 0 HG3 ARG A 223 35.371 -6.497 9.145 1.00 0.00 H new ATOM 0 HD2 ARG A 223 35.992 -8.767 8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 223 37.038 -8.039 7.097 1.00 0.00 H new ATOM 0 HE ARG A 223 38.621 -7.487 8.791 1.00 0.00 H new ATOM 0 HH11 ARG A 223 35.586 -8.719 10.044 1.00 0.00 H new ATOM 0 HH12 ARG A 223 36.208 -8.966 11.679 1.00 0.00 H new ATOM 0 HH21 ARG A 223 39.414 -7.808 10.894 1.00 0.00 H new ATOM 0 HH22 ARG A 223 38.360 -8.454 12.156 1.00 0.00 H new ATOM 300 N GLU A 224 34.735 -4.173 8.973 1.00 0.00 N ATOM 301 CA GLU A 224 34.569 -3.600 10.299 1.00 0.00 C ATOM 302 C GLU A 224 33.520 -2.501 10.274 1.00 0.00 C ATOM 303 O GLU A 224 32.966 -2.145 11.308 1.00 0.00 O ATOM 304 CB GLU A 224 35.902 -3.030 10.794 1.00 0.00 C ATOM 305 CG GLU A 224 36.919 -4.162 10.954 1.00 0.00 C ATOM 306 CD GLU A 224 36.486 -5.102 12.074 1.00 0.00 C ATOM 307 OE1 GLU A 224 35.689 -4.683 12.896 1.00 0.00 O ATOM 308 OE2 GLU A 224 36.956 -6.229 12.092 1.00 0.00 O ATOM 0 H GLU A 224 35.682 -4.111 8.599 1.00 0.00 H new ATOM 0 HA GLU A 224 34.239 -4.386 10.978 1.00 0.00 H new ATOM 0 HB2 GLU A 224 36.276 -2.289 10.088 1.00 0.00 H new ATOM 0 HB3 GLU A 224 35.759 -2.519 11.746 1.00 0.00 H new ATOM 0 HG2 GLU A 224 37.009 -4.715 10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 224 37.903 -3.749 11.176 1.00 0.00 H new ATOM 315 N TYR A 225 33.253 -1.971 9.086 1.00 0.00 N ATOM 316 CA TYR A 225 32.265 -0.908 8.935 1.00 0.00 C ATOM 317 C TYR A 225 30.880 -1.406 9.338 1.00 0.00 C ATOM 318 O TYR A 225 30.104 -0.679 9.958 1.00 0.00 O ATOM 319 CB TYR A 225 32.238 -0.420 7.486 1.00 0.00 C ATOM 320 CG TYR A 225 31.362 0.806 7.384 1.00 0.00 C ATOM 321 CD1 TYR A 225 31.888 2.067 7.691 1.00 0.00 C ATOM 322 CD2 TYR A 225 30.027 0.684 6.984 1.00 0.00 C ATOM 323 CE1 TYR A 225 31.079 3.205 7.597 1.00 0.00 C ATOM 324 CE2 TYR A 225 29.218 1.821 6.890 1.00 0.00 C ATOM 325 CZ TYR A 225 29.744 3.083 7.197 1.00 0.00 C ATOM 326 OH TYR A 225 28.946 4.204 7.104 1.00 0.00 O ATOM 0 H TYR A 225 33.704 -2.258 8.217 1.00 0.00 H new ATOM 0 HA TYR A 225 32.544 -0.080 9.587 1.00 0.00 H new ATOM 0 HB2 TYR A 225 33.249 -0.187 7.151 1.00 0.00 H new ATOM 0 HB3 TYR A 225 31.859 -1.206 6.833 1.00 0.00 H new ATOM 0 HD1 TYR A 225 32.918 2.161 8.000 1.00 0.00 H new ATOM 0 HD2 TYR A 225 29.621 -0.288 6.748 1.00 0.00 H new ATOM 0 HE1 TYR A 225 31.485 4.177 7.833 1.00 0.00 H new ATOM 0 HE2 TYR A 225 28.188 1.726 6.581 1.00 0.00 H new ATOM 0 HH TYR A 225 28.048 3.943 6.812 1.00 0.00 H new ATOM 336 N LYS A 226 30.575 -2.648 8.975 1.00 0.00 N ATOM 337 CA LYS A 226 29.279 -3.232 9.302 1.00 0.00 C ATOM 338 C LYS A 226 29.118 -3.360 10.812 1.00 0.00 C ATOM 339 O LYS A 226 28.023 -3.187 11.347 1.00 0.00 O ATOM 340 CB LYS A 226 29.151 -4.606 8.653 1.00 0.00 C ATOM 341 CG LYS A 226 27.735 -5.149 8.878 1.00 0.00 C ATOM 342 CD LYS A 226 27.606 -6.537 8.240 1.00 0.00 C ATOM 343 CE LYS A 226 27.453 -6.404 6.720 1.00 0.00 C ATOM 344 NZ LYS A 226 27.027 -7.707 6.150 1.00 0.00 N ATOM 0 H LYS A 226 31.202 -3.265 8.459 1.00 0.00 H new ATOM 0 HA LYS A 226 28.496 -2.577 8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 226 29.360 -4.536 7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 226 29.886 -5.290 9.077 1.00 0.00 H new ATOM 0 HG2 LYS A 226 27.523 -5.208 9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 226 27.001 -4.469 8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 226 28.485 -7.137 8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 226 26.744 -7.059 8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 226 26.719 -5.634 6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 226 28.397 -6.091 6.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 26.923 -7.618 5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 27.743 -8.430 6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 26.116 -7.987 6.567 1.00 0.00 H new ATOM 358 N GLU A 227 30.216 -3.671 11.494 1.00 0.00 N ATOM 359 CA GLU A 227 30.183 -3.827 12.945 1.00 0.00 C ATOM 360 C GLU A 227 29.768 -2.517 13.610 1.00 0.00 C ATOM 361 O GLU A 227 29.150 -2.517 14.673 1.00 0.00 O ATOM 362 CB GLU A 227 31.563 -4.246 13.457 1.00 0.00 C ATOM 363 CG GLU A 227 31.462 -4.649 14.930 1.00 0.00 C ATOM 364 CD GLU A 227 30.699 -5.965 15.056 1.00 0.00 C ATOM 365 OE1 GLU A 227 30.429 -6.572 14.033 1.00 0.00 O ATOM 366 OE2 GLU A 227 30.390 -6.342 16.175 1.00 0.00 O ATOM 0 H GLU A 227 31.132 -3.819 11.070 1.00 0.00 H new ATOM 0 HA GLU A 227 29.455 -4.599 13.195 1.00 0.00 H new ATOM 0 HB2 GLU A 227 31.944 -5.079 12.867 1.00 0.00 H new ATOM 0 HB3 GLU A 227 32.270 -3.424 13.342 1.00 0.00 H new ATOM 0 HG2 GLU A 227 32.459 -4.754 15.357 1.00 0.00 H new ATOM 0 HG3 GLU A 227 30.954 -3.868 15.496 1.00 0.00 H new ATOM 373 N MET A 228 30.114 -1.402 12.976 1.00 0.00 N ATOM 374 CA MET A 228 29.774 -0.090 13.513 1.00 0.00 C ATOM 375 C MET A 228 28.259 0.088 13.573 1.00 0.00 C ATOM 376 O MET A 228 27.732 0.695 14.502 1.00 0.00 O ATOM 377 CB MET A 228 30.386 1.009 12.642 1.00 0.00 C ATOM 378 CG MET A 228 31.900 0.807 12.553 1.00 0.00 C ATOM 379 SD MET A 228 32.638 1.014 14.194 1.00 0.00 S ATOM 380 CE MET A 228 33.034 2.772 14.042 1.00 0.00 C ATOM 0 H MET A 228 30.627 -1.380 12.095 1.00 0.00 H new ATOM 0 HA MET A 228 30.178 -0.017 14.523 1.00 0.00 H new ATOM 0 HB2 MET A 228 29.946 0.985 11.645 1.00 0.00 H new ATOM 0 HB3 MET A 228 30.164 1.989 13.065 1.00 0.00 H new ATOM 0 HG2 MET A 228 32.122 -0.187 12.166 1.00 0.00 H new ATOM 0 HG3 MET A 228 32.332 1.524 11.856 1.00 0.00 H new ATOM 0 HE1 MET A 228 33.507 3.119 14.960 1.00 0.00 H new ATOM 0 HE2 MET A 228 33.715 2.920 13.204 1.00 0.00 H new ATOM 0 HE3 MET A 228 32.118 3.338 13.870 1.00 0.00 H new ATOM 390 N GLU A 229 27.568 -0.441 12.569 1.00 0.00 N ATOM 391 CA GLU A 229 26.114 -0.332 12.515 1.00 0.00 C ATOM 392 C GLU A 229 25.475 -1.123 13.651 1.00 0.00 C ATOM 393 O GLU A 229 24.467 -0.703 14.220 1.00 0.00 O ATOM 394 CB GLU A 229 25.600 -0.863 11.171 1.00 0.00 C ATOM 395 CG GLU A 229 26.129 0.018 10.039 1.00 0.00 C ATOM 396 CD GLU A 229 25.471 1.394 10.098 1.00 0.00 C ATOM 397 OE1 GLU A 229 24.541 1.556 10.872 1.00 0.00 O ATOM 398 OE2 GLU A 229 25.913 2.271 9.375 1.00 0.00 O ATOM 0 H GLU A 229 27.986 -0.946 11.788 1.00 0.00 H new ATOM 0 HA GLU A 229 25.843 0.719 12.620 1.00 0.00 H new ATOM 0 HB2 GLU A 229 25.925 -1.893 11.027 1.00 0.00 H new ATOM 0 HB3 GLU A 229 24.510 -0.869 11.163 1.00 0.00 H new ATOM 0 HG2 GLU A 229 27.211 0.119 10.121 1.00 0.00 H new ATOM 0 HG3 GLU A 229 25.925 -0.451 9.076 1.00 0.00 H new ATOM 405 N GLY A 230 26.070 -2.263 13.981 1.00 0.00 N ATOM 406 CA GLY A 230 25.550 -3.101 15.054 1.00 0.00 C ATOM 407 C GLY A 230 25.594 -2.363 16.389 1.00 0.00 C ATOM 408 O GLY A 230 24.720 -2.543 17.238 1.00 0.00 O ATOM 0 H GLY A 230 26.907 -2.626 13.525 1.00 0.00 H new ATOM 0 HA2 GLY A 230 24.524 -3.393 14.829 1.00 0.00 H new ATOM 0 HA3 GLY A 230 26.135 -4.018 15.121 1.00 0.00 H new ATOM 437 N GLU A 233 27.858 -3.559 22.576 1.00 0.00 N ATOM 438 CA GLU A 233 28.275 -3.036 23.871 1.00 0.00 C ATOM 439 C GLU A 233 29.786 -3.161 24.039 1.00 0.00 C ATOM 440 O GLU A 233 30.401 -2.405 24.792 1.00 0.00 O ATOM 441 CB GLU A 233 27.569 -3.796 24.995 1.00 0.00 C ATOM 442 CG GLU A 233 26.073 -3.482 24.961 1.00 0.00 C ATOM 443 CD GLU A 233 25.348 -4.282 26.038 1.00 0.00 C ATOM 444 OE1 GLU A 233 25.696 -5.436 26.226 1.00 0.00 O ATOM 445 OE2 GLU A 233 24.453 -3.730 26.657 1.00 0.00 O ATOM 0 HA GLU A 233 28.002 -1.982 23.920 1.00 0.00 H new ATOM 0 HB2 GLU A 233 27.729 -4.868 24.880 1.00 0.00 H new ATOM 0 HB3 GLU A 233 27.989 -3.513 25.960 1.00 0.00 H new ATOM 0 HG2 GLU A 233 25.913 -2.415 25.119 1.00 0.00 H new ATOM 0 HG3 GLU A 233 25.664 -3.724 23.980 1.00 0.00 H new ATOM 452 N ILE A 234 30.378 -4.121 23.337 1.00 0.00 N ATOM 453 CA ILE A 234 31.818 -4.338 23.422 1.00 0.00 C ATOM 454 C ILE A 234 32.570 -3.114 22.909 1.00 0.00 C ATOM 455 O ILE A 234 33.550 -2.678 23.512 1.00 0.00 O ATOM 456 CB ILE A 234 32.208 -5.566 22.595 1.00 0.00 C ATOM 457 CG1 ILE A 234 31.625 -6.824 23.246 1.00 0.00 C ATOM 458 CG2 ILE A 234 33.736 -5.685 22.544 1.00 0.00 C ATOM 459 CD1 ILE A 234 31.736 -7.999 22.274 1.00 0.00 C ATOM 0 H ILE A 234 29.888 -4.757 22.708 1.00 0.00 H new ATOM 0 HA ILE A 234 32.085 -4.504 24.466 1.00 0.00 H new ATOM 0 HB ILE A 234 31.816 -5.461 21.583 1.00 0.00 H new ATOM 0 HG12 ILE A 234 32.159 -7.050 24.169 1.00 0.00 H new ATOM 0 HG13 ILE A 234 30.582 -6.657 23.514 1.00 0.00 H new ATOM 0 HG21 ILE A 234 34.013 -6.559 21.955 1.00 0.00 H new ATOM 0 HG22 ILE A 234 34.156 -4.790 22.084 1.00 0.00 H new ATOM 0 HG23 ILE A 234 34.127 -5.790 23.556 1.00 0.00 H new ATOM 0 HD11 ILE A 234 31.321 -8.894 22.737 1.00 0.00 H new ATOM 0 HD12 ILE A 234 31.182 -7.771 21.363 1.00 0.00 H new ATOM 0 HD13 ILE A 234 32.784 -8.170 22.028 1.00 0.00 H new ATOM 471 N LYS A 235 32.108 -2.567 21.792 1.00 0.00 N ATOM 472 CA LYS A 235 32.746 -1.399 21.213 1.00 0.00 C ATOM 473 C LYS A 235 32.585 -0.189 22.127 1.00 0.00 C ATOM 474 O LYS A 235 33.492 0.635 22.247 1.00 0.00 O ATOM 475 CB LYS A 235 32.137 -1.094 19.840 1.00 0.00 C ATOM 476 CG LYS A 235 32.892 0.064 19.170 1.00 0.00 C ATOM 477 CD LYS A 235 34.287 -0.407 18.729 1.00 0.00 C ATOM 478 CE LYS A 235 34.855 0.572 17.712 1.00 0.00 C ATOM 479 NZ LYS A 235 36.230 0.141 17.333 1.00 0.00 N ATOM 0 H LYS A 235 31.300 -2.912 21.274 1.00 0.00 H new ATOM 0 HA LYS A 235 33.809 -1.611 21.097 1.00 0.00 H new ATOM 0 HB2 LYS A 235 32.183 -1.981 19.209 1.00 0.00 H new ATOM 0 HB3 LYS A 235 31.084 -0.835 19.950 1.00 0.00 H new ATOM 0 HG2 LYS A 235 32.331 0.425 18.308 1.00 0.00 H new ATOM 0 HG3 LYS A 235 32.983 0.900 19.864 1.00 0.00 H new ATOM 0 HD2 LYS A 235 34.949 -0.476 19.592 1.00 0.00 H new ATOM 0 HD3 LYS A 235 34.225 -1.405 18.294 1.00 0.00 H new ATOM 0 HE2 LYS A 235 34.216 0.610 16.829 1.00 0.00 H new ATOM 0 HE3 LYS A 235 34.879 1.578 18.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 36.623 0.807 16.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 36.835 0.126 18.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 36.193 -0.812 16.917 1.00 0.00 H new ATOM 493 N SER A 236 31.421 -0.079 22.748 1.00 0.00 N ATOM 494 CA SER A 236 31.144 1.045 23.635 1.00 0.00 C ATOM 495 C SER A 236 32.098 1.023 24.822 1.00 0.00 C ATOM 496 O SER A 236 32.476 2.069 25.348 1.00 0.00 O ATOM 497 CB SER A 236 29.702 0.973 24.134 1.00 0.00 C ATOM 498 OG SER A 236 29.535 -0.200 24.920 1.00 0.00 O ATOM 0 H SER A 236 30.656 -0.748 22.657 1.00 0.00 H new ATOM 0 HA SER A 236 31.286 1.972 23.080 1.00 0.00 H new ATOM 0 HB2 SER A 236 29.465 1.858 24.725 1.00 0.00 H new ATOM 0 HB3 SER A 236 29.013 0.960 23.289 1.00 0.00 H new ATOM 0 HG SER A 236 30.216 -0.860 24.671 1.00 0.00 H new ATOM 504 N LYS A 237 32.482 -0.175 25.245 1.00 0.00 N ATOM 505 CA LYS A 237 33.390 -0.312 26.371 1.00 0.00 C ATOM 506 C LYS A 237 34.752 0.288 26.034 1.00 0.00 C ATOM 507 O LYS A 237 35.345 1.006 26.840 1.00 0.00 O ATOM 508 CB LYS A 237 33.551 -1.791 26.735 1.00 0.00 C ATOM 509 CG LYS A 237 34.394 -1.932 28.014 1.00 0.00 C ATOM 510 CD LYS A 237 33.554 -1.536 29.236 1.00 0.00 C ATOM 511 CE LYS A 237 34.241 -2.021 30.505 1.00 0.00 C ATOM 512 NZ LYS A 237 35.518 -1.278 30.693 1.00 0.00 N ATOM 0 H LYS A 237 32.181 -1.056 24.829 1.00 0.00 H new ATOM 0 HA LYS A 237 32.971 0.225 27.222 1.00 0.00 H new ATOM 0 HB2 LYS A 237 32.572 -2.246 26.884 1.00 0.00 H new ATOM 0 HB3 LYS A 237 34.029 -2.326 25.914 1.00 0.00 H new ATOM 0 HG2 LYS A 237 34.744 -2.959 28.119 1.00 0.00 H new ATOM 0 HG3 LYS A 237 35.279 -1.299 27.949 1.00 0.00 H new ATOM 0 HD2 LYS A 237 33.429 -0.454 29.269 1.00 0.00 H new ATOM 0 HD3 LYS A 237 32.557 -1.970 29.161 1.00 0.00 H new ATOM 0 HE2 LYS A 237 33.589 -1.869 31.365 1.00 0.00 H new ATOM 0 HE3 LYS A 237 34.437 -3.091 30.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 35.710 -1.170 31.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 36.296 -1.806 30.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 35.441 -0.339 30.253 1.00 0.00 H new ATOM 526 N ARG A 238 35.255 -0.032 24.851 1.00 0.00 N ATOM 527 CA ARG A 238 36.555 0.471 24.424 1.00 0.00 C ATOM 528 C ARG A 238 36.486 1.973 24.177 1.00 0.00 C ATOM 529 O ARG A 238 37.503 2.666 24.230 1.00 0.00 O ATOM 530 CB ARG A 238 37.001 -0.256 23.141 1.00 0.00 C ATOM 531 CG ARG A 238 37.737 -1.549 23.505 1.00 0.00 C ATOM 532 CD ARG A 238 36.792 -2.476 24.268 1.00 0.00 C ATOM 533 NE ARG A 238 37.434 -3.760 24.509 1.00 0.00 N ATOM 534 CZ ARG A 238 38.269 -3.934 25.529 1.00 0.00 C ATOM 535 NH1 ARG A 238 38.526 -2.942 26.337 1.00 0.00 N ATOM 536 NH2 ARG A 238 38.831 -5.094 25.722 1.00 0.00 N ATOM 0 H ARG A 238 34.788 -0.633 24.173 1.00 0.00 H new ATOM 0 HA ARG A 238 37.283 0.281 25.213 1.00 0.00 H new ATOM 0 HB2 ARG A 238 36.134 -0.483 22.521 1.00 0.00 H new ATOM 0 HB3 ARG A 238 37.653 0.391 22.554 1.00 0.00 H new ATOM 0 HG2 ARG A 238 38.096 -2.042 22.602 1.00 0.00 H new ATOM 0 HG3 ARG A 238 38.612 -1.323 24.114 1.00 0.00 H new ATOM 0 HD2 ARG A 238 36.509 -2.019 25.216 1.00 0.00 H new ATOM 0 HD3 ARG A 238 35.874 -2.621 23.698 1.00 0.00 H new ATOM 0 HE ARG A 238 37.239 -4.542 23.883 1.00 0.00 H new ATOM 0 HH11 ARG A 238 38.086 -2.034 26.186 1.00 0.00 H new ATOM 0 HH12 ARG A 238 39.166 -3.075 27.120 1.00 0.00 H new ATOM 0 HH21 ARG A 238 38.630 -5.869 25.090 1.00 0.00 H new ATOM 0 HH22 ARG A 238 39.471 -5.226 26.505 1.00 0.00 H new ATOM 550 N ARG A 239 35.291 2.462 23.883 1.00 0.00 N ATOM 551 CA ARG A 239 35.107 3.881 23.612 1.00 0.00 C ATOM 552 C ARG A 239 35.458 4.706 24.843 1.00 0.00 C ATOM 553 O ARG A 239 36.097 5.754 24.737 1.00 0.00 O ATOM 554 CB ARG A 239 33.656 4.152 23.204 1.00 0.00 C ATOM 555 CG ARG A 239 33.494 5.627 22.829 1.00 0.00 C ATOM 556 CD ARG A 239 32.047 5.892 22.414 1.00 0.00 C ATOM 557 NE ARG A 239 31.911 7.254 21.910 1.00 0.00 N ATOM 558 CZ ARG A 239 31.712 8.278 22.734 1.00 0.00 C ATOM 559 NH1 ARG A 239 31.637 8.073 24.021 1.00 0.00 N ATOM 560 NH2 ARG A 239 31.593 9.486 22.259 1.00 0.00 N ATOM 0 H ARG A 239 34.440 1.903 23.826 1.00 0.00 H new ATOM 0 HA ARG A 239 35.770 4.168 22.795 1.00 0.00 H new ATOM 0 HB2 ARG A 239 33.381 3.520 22.360 1.00 0.00 H new ATOM 0 HB3 ARG A 239 32.984 3.899 24.024 1.00 0.00 H new ATOM 0 HG2 ARG A 239 33.763 6.260 23.675 1.00 0.00 H new ATOM 0 HG3 ARG A 239 34.170 5.882 22.013 1.00 0.00 H new ATOM 0 HD2 ARG A 239 31.745 5.180 21.646 1.00 0.00 H new ATOM 0 HD3 ARG A 239 31.383 5.743 23.266 1.00 0.00 H new ATOM 0 HE ARG A 239 31.970 7.424 20.906 1.00 0.00 H new ATOM 0 HH11 ARG A 239 31.731 7.128 24.393 1.00 0.00 H new ATOM 0 HH12 ARG A 239 31.484 8.858 24.654 1.00 0.00 H new ATOM 0 HH21 ARG A 239 31.653 9.647 21.254 1.00 0.00 H new ATOM 0 HH22 ARG A 239 31.440 10.270 22.893 1.00 0.00 H new ATOM 574 N GLN A 240 35.026 4.238 26.008 1.00 0.00 N ATOM 575 CA GLN A 240 35.289 4.953 27.251 1.00 0.00 C ATOM 576 C GLN A 240 36.779 5.231 27.400 1.00 0.00 C ATOM 577 O GLN A 240 37.181 6.351 27.710 1.00 0.00 O ATOM 578 CB GLN A 240 34.807 4.120 28.441 1.00 0.00 C ATOM 579 CG GLN A 240 33.296 3.907 28.339 1.00 0.00 C ATOM 580 CD GLN A 240 32.568 5.238 28.492 1.00 0.00 C ATOM 581 OE1 GLN A 240 31.611 5.510 27.768 1.00 0.00 O ATOM 582 NE2 GLN A 240 32.972 6.091 29.393 1.00 0.00 N ATOM 0 H GLN A 240 34.496 3.373 26.118 1.00 0.00 H new ATOM 0 HA GLN A 240 34.752 5.901 27.226 1.00 0.00 H new ATOM 0 HB2 GLN A 240 35.320 3.158 28.456 1.00 0.00 H new ATOM 0 HB3 GLN A 240 35.051 4.626 29.375 1.00 0.00 H new ATOM 0 HG2 GLN A 240 33.048 3.457 27.378 1.00 0.00 H new ATOM 0 HG3 GLN A 240 32.966 3.212 29.111 1.00 0.00 H new ATOM 0 HE21 GLN A 240 33.766 5.863 29.992 1.00 0.00 H new ATOM 0 HE22 GLN A 240 32.494 6.986 29.499 1.00 0.00 H new ATOM 591 N PHE A 241 37.596 4.212 27.166 1.00 0.00 N ATOM 592 CA PHE A 241 39.042 4.365 27.267 1.00 0.00 C ATOM 593 C PHE A 241 39.562 5.298 26.176 1.00 0.00 C ATOM 594 O PHE A 241 40.473 6.092 26.407 1.00 0.00 O ATOM 595 CB PHE A 241 39.723 3.002 27.143 1.00 0.00 C ATOM 596 CG PHE A 241 39.400 2.165 28.358 1.00 0.00 C ATOM 597 CD1 PHE A 241 40.034 2.430 29.577 1.00 0.00 C ATOM 598 CD2 PHE A 241 38.467 1.126 28.266 1.00 0.00 C ATOM 599 CE1 PHE A 241 39.735 1.655 30.705 1.00 0.00 C ATOM 600 CE2 PHE A 241 38.167 0.352 29.392 1.00 0.00 C ATOM 601 CZ PHE A 241 38.801 0.616 30.612 1.00 0.00 C ATOM 0 H PHE A 241 37.285 3.276 26.906 1.00 0.00 H new ATOM 0 HA PHE A 241 39.274 4.799 28.240 1.00 0.00 H new ATOM 0 HB2 PHE A 241 39.385 2.496 26.239 1.00 0.00 H new ATOM 0 HB3 PHE A 241 40.802 3.129 27.052 1.00 0.00 H new ATOM 0 HD1 PHE A 241 40.754 3.232 29.648 1.00 0.00 H new ATOM 0 HD2 PHE A 241 37.978 0.922 27.325 1.00 0.00 H new ATOM 0 HE1 PHE A 241 40.225 1.859 31.646 1.00 0.00 H new ATOM 0 HE2 PHE A 241 37.446 -0.449 29.320 1.00 0.00 H new ATOM 0 HZ PHE A 241 38.570 0.018 31.481 1.00 0.00 H new ATOM 611 N HIS A 242 38.982 5.188 24.986 1.00 0.00 N ATOM 612 CA HIS A 242 39.399 6.020 23.863 1.00 0.00 C ATOM 613 C HIS A 242 39.269 7.499 24.216 1.00 0.00 C ATOM 614 O HIS A 242 39.873 8.356 23.570 1.00 0.00 O ATOM 615 CB HIS A 242 38.542 5.710 22.635 1.00 0.00 C ATOM 616 CG HIS A 242 39.092 6.439 21.441 1.00 0.00 C ATOM 617 ND1 HIS A 242 40.218 6.000 20.762 1.00 0.00 N ATOM 618 CD2 HIS A 242 38.683 7.579 20.792 1.00 0.00 C ATOM 619 CE1 HIS A 242 40.446 6.864 19.755 1.00 0.00 C ATOM 620 NE2 HIS A 242 39.540 7.844 19.729 1.00 0.00 N ATOM 0 H HIS A 242 38.227 4.536 24.775 1.00 0.00 H new ATOM 0 HA HIS A 242 40.443 5.800 23.641 1.00 0.00 H new ATOM 0 HB2 HIS A 242 38.533 4.636 22.446 1.00 0.00 H new ATOM 0 HB3 HIS A 242 37.510 6.011 22.814 1.00 0.00 H new ATOM 0 HD2 HIS A 242 37.827 8.178 21.066 1.00 0.00 H new ATOM 0 HE1 HIS A 242 41.262 6.775 19.054 1.00 0.00 H new ATOM 0 HE2 HIS A 242 39.487 8.621 19.070 1.00 0.00 H new ATOM 628 N GLN A 243 38.476 7.790 25.243 1.00 0.00 N ATOM 629 CA GLN A 243 38.274 9.169 25.670 1.00 0.00 C ATOM 630 C GLN A 243 39.572 9.757 26.216 1.00 0.00 C ATOM 631 O GLN A 243 39.905 10.909 25.941 1.00 0.00 O ATOM 632 CB GLN A 243 37.192 9.228 26.750 1.00 0.00 C ATOM 633 CG GLN A 243 36.955 10.682 27.159 1.00 0.00 C ATOM 634 CD GLN A 243 35.751 10.772 28.090 1.00 0.00 C ATOM 635 OE1 GLN A 243 34.943 9.845 28.154 1.00 0.00 O ATOM 636 NE2 GLN A 243 35.582 11.839 28.821 1.00 0.00 N ATOM 0 H GLN A 243 37.967 7.096 25.790 1.00 0.00 H new ATOM 0 HA GLN A 243 37.958 9.754 24.806 1.00 0.00 H new ATOM 0 HB2 GLN A 243 36.267 8.789 26.377 1.00 0.00 H new ATOM 0 HB3 GLN A 243 37.496 8.641 27.616 1.00 0.00 H new ATOM 0 HG2 GLN A 243 37.840 11.077 27.657 1.00 0.00 H new ATOM 0 HG3 GLN A 243 36.787 11.295 26.273 1.00 0.00 H new ATOM 0 HE21 GLN A 243 36.252 12.606 28.767 1.00 0.00 H new ATOM 0 HE22 GLN A 243 34.780 11.906 29.447 1.00 0.00 H new ATOM 645 N GLU A 244 40.300 8.957 26.986 1.00 0.00 N ATOM 646 CA GLU A 244 41.562 9.407 27.561 1.00 0.00 C ATOM 647 C GLU A 244 42.597 9.638 26.465 1.00 0.00 C ATOM 648 O GLU A 244 43.410 10.559 26.549 1.00 0.00 O ATOM 649 CB GLU A 244 42.085 8.370 28.556 1.00 0.00 C ATOM 650 CG GLU A 244 41.164 8.321 29.777 1.00 0.00 C ATOM 651 CD GLU A 244 41.656 7.263 30.759 1.00 0.00 C ATOM 652 OE1 GLU A 244 42.694 6.677 30.498 1.00 0.00 O ATOM 653 OE2 GLU A 244 40.986 7.054 31.758 1.00 0.00 O ATOM 0 H GLU A 244 40.041 8.000 27.225 1.00 0.00 H new ATOM 0 HA GLU A 244 41.387 10.348 28.082 1.00 0.00 H new ATOM 0 HB2 GLU A 244 42.132 7.389 28.083 1.00 0.00 H new ATOM 0 HB3 GLU A 244 43.099 8.625 28.863 1.00 0.00 H new ATOM 0 HG2 GLU A 244 41.139 9.296 30.263 1.00 0.00 H new ATOM 0 HG3 GLU A 244 40.145 8.094 29.465 1.00 0.00 H new ATOM 660 N ILE A 245 42.567 8.792 25.443 1.00 0.00 N ATOM 661 CA ILE A 245 43.513 8.911 24.338 1.00 0.00 C ATOM 662 C ILE A 245 43.305 10.224 23.598 1.00 0.00 C ATOM 663 O ILE A 245 44.269 10.913 23.263 1.00 0.00 O ATOM 664 CB ILE A 245 43.330 7.739 23.367 1.00 0.00 C ATOM 665 CG1 ILE A 245 43.385 6.419 24.146 1.00 0.00 C ATOM 666 CG2 ILE A 245 44.449 7.758 22.323 1.00 0.00 C ATOM 667 CD1 ILE A 245 44.677 6.344 24.973 1.00 0.00 C ATOM 0 H ILE A 245 41.904 8.022 25.355 1.00 0.00 H new ATOM 0 HA ILE A 245 44.525 8.892 24.744 1.00 0.00 H new ATOM 0 HB ILE A 245 42.366 7.830 22.867 1.00 0.00 H new ATOM 0 HG12 ILE A 245 42.519 6.340 24.803 1.00 0.00 H new ATOM 0 HG13 ILE A 245 43.338 5.578 23.454 1.00 0.00 H new ATOM 0 HG21 ILE A 245 44.317 6.924 21.633 1.00 0.00 H new ATOM 0 HG22 ILE A 245 44.414 8.696 21.769 1.00 0.00 H new ATOM 0 HG23 ILE A 245 45.414 7.667 22.822 1.00 0.00 H new ATOM 0 HD11 ILE A 245 44.704 5.402 25.521 1.00 0.00 H new ATOM 0 HD12 ILE A 245 45.539 6.401 24.308 1.00 0.00 H new ATOM 0 HD13 ILE A 245 44.707 7.175 25.678 1.00 0.00 H new ATOM 679 N GLN A 246 42.048 10.562 23.344 1.00 0.00 N ATOM 680 CA GLN A 246 41.730 11.797 22.639 1.00 0.00 C ATOM 681 C GLN A 246 42.185 13.008 23.449 1.00 0.00 C ATOM 682 O GLN A 246 42.713 13.973 22.897 1.00 0.00 O ATOM 683 CB GLN A 246 40.222 11.884 22.394 1.00 0.00 C ATOM 684 CG GLN A 246 39.913 13.106 21.526 1.00 0.00 C ATOM 685 CD GLN A 246 38.414 13.196 21.266 1.00 0.00 C ATOM 686 OE1 GLN A 246 37.637 12.426 21.832 1.00 0.00 O ATOM 687 NE2 GLN A 246 37.959 14.094 20.437 1.00 0.00 N ATOM 0 H GLN A 246 41.238 10.004 23.613 1.00 0.00 H new ATOM 0 HA GLN A 246 42.255 11.794 21.684 1.00 0.00 H new ATOM 0 HB2 GLN A 246 39.870 10.977 21.902 1.00 0.00 H new ATOM 0 HB3 GLN A 246 39.693 11.957 23.344 1.00 0.00 H new ATOM 0 HG2 GLN A 246 40.259 14.012 22.023 1.00 0.00 H new ATOM 0 HG3 GLN A 246 40.451 13.036 20.580 1.00 0.00 H new ATOM 0 HE21 GLN A 246 38.605 14.730 19.970 1.00 0.00 H new ATOM 0 HE22 GLN A 246 36.957 14.160 20.256 1.00 0.00 H new ATOM 696 N SER A 247 41.977 12.947 24.760 1.00 0.00 N ATOM 697 CA SER A 247 42.371 14.045 25.637 1.00 0.00 C ATOM 698 C SER A 247 43.885 14.227 25.620 1.00 0.00 C ATOM 699 O SER A 247 44.384 15.349 25.561 1.00 0.00 O ATOM 700 CB SER A 247 41.905 13.766 27.065 1.00 0.00 C ATOM 701 OG SER A 247 42.264 14.860 27.899 1.00 0.00 O ATOM 0 H SER A 247 41.542 12.157 25.236 1.00 0.00 H new ATOM 0 HA SER A 247 41.902 14.960 25.275 1.00 0.00 H new ATOM 0 HB2 SER A 247 40.825 13.618 27.085 1.00 0.00 H new ATOM 0 HB3 SER A 247 42.360 12.847 27.435 1.00 0.00 H new ATOM 0 HG SER A 247 41.965 14.685 28.816 1.00 0.00 H new ATOM 707 N ARG A 248 44.611 13.114 25.672 1.00 0.00 N ATOM 708 CA ARG A 248 46.070 13.161 25.664 1.00 0.00 C ATOM 709 C ARG A 248 46.591 13.271 24.236 1.00 0.00 C ATOM 710 O ARG A 248 47.773 13.047 23.976 1.00 0.00 O ATOM 711 CB ARG A 248 46.637 11.901 26.320 1.00 0.00 C ATOM 712 CG ARG A 248 46.265 11.888 27.805 1.00 0.00 C ATOM 713 CD ARG A 248 46.735 10.578 28.439 1.00 0.00 C ATOM 714 NE ARG A 248 48.193 10.491 28.397 1.00 0.00 N ATOM 715 CZ ARG A 248 48.942 11.038 29.348 1.00 0.00 C ATOM 716 NH1 ARG A 248 48.377 11.668 30.343 1.00 0.00 N ATOM 717 NH2 ARG A 248 50.242 10.946 29.289 1.00 0.00 N ATOM 0 H ARG A 248 44.217 12.175 25.720 1.00 0.00 H new ATOM 0 HA ARG A 248 46.391 14.038 26.226 1.00 0.00 H new ATOM 0 HB2 ARG A 248 46.242 11.012 25.827 1.00 0.00 H new ATOM 0 HB3 ARG A 248 47.721 11.874 26.205 1.00 0.00 H new ATOM 0 HG2 ARG A 248 46.725 12.735 28.313 1.00 0.00 H new ATOM 0 HG3 ARG A 248 45.186 11.994 27.921 1.00 0.00 H new ATOM 0 HD2 ARG A 248 46.390 10.521 29.471 1.00 0.00 H new ATOM 0 HD3 ARG A 248 46.298 9.732 27.909 1.00 0.00 H new ATOM 0 HE ARG A 248 48.644 10.002 27.624 1.00 0.00 H new ATOM 0 HH11 ARG A 248 47.361 11.740 30.390 1.00 0.00 H new ATOM 0 HH12 ARG A 248 48.952 12.088 31.073 1.00 0.00 H new ATOM 0 HH21 ARG A 248 50.684 10.454 28.512 1.00 0.00 H new ATOM 0 HH22 ARG A 248 50.817 11.366 30.019 1.00 0.00 H new