USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=5 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0638) 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 180:sc= -0.768 USER MOD Single : A 237 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.87) USER MOD Single : A 242 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 243 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.4!) USER MOD Single : A 246 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 247 SER OG : rot -78:sc= 0.966 USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 217 24.529 3.702 -5.286 1.00 0.00 N ATOM 176 CA SER A 217 25.101 2.770 -4.321 1.00 0.00 C ATOM 177 C SER A 217 26.034 3.501 -3.364 1.00 0.00 C ATOM 178 O SER A 217 26.403 2.970 -2.319 1.00 0.00 O ATOM 179 CB SER A 217 25.873 1.671 -5.054 1.00 0.00 C ATOM 180 OG SER A 217 24.952 0.728 -5.582 1.00 0.00 O ATOM 0 HA SER A 217 24.290 2.322 -3.747 1.00 0.00 H new ATOM 0 HB2 SER A 217 26.470 2.103 -5.857 1.00 0.00 H new ATOM 0 HB3 SER A 217 26.565 1.179 -4.371 1.00 0.00 H new ATOM 0 HG SER A 217 25.441 0.022 -6.054 1.00 0.00 H new ATOM 186 N LYS A 218 26.411 4.720 -3.730 1.00 0.00 N ATOM 187 CA LYS A 218 27.303 5.516 -2.896 1.00 0.00 C ATOM 188 C LYS A 218 26.655 5.814 -1.549 1.00 0.00 C ATOM 189 O LYS A 218 27.315 5.787 -0.511 1.00 0.00 O ATOM 190 CB LYS A 218 27.650 6.828 -3.601 1.00 0.00 C ATOM 191 CG LYS A 218 28.511 6.535 -4.832 1.00 0.00 C ATOM 192 CD LYS A 218 28.849 7.847 -5.543 1.00 0.00 C ATOM 193 CE LYS A 218 29.710 7.553 -6.772 1.00 0.00 C ATOM 194 NZ LYS A 218 30.024 8.830 -7.474 1.00 0.00 N ATOM 0 H LYS A 218 26.115 5.177 -4.593 1.00 0.00 H new ATOM 0 HA LYS A 218 28.216 4.944 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 218 26.738 7.346 -3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 218 28.185 7.489 -2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 218 29.427 6.024 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 218 27.979 5.868 -5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 218 27.933 8.358 -5.841 1.00 0.00 H new ATOM 0 HD3 LYS A 218 29.380 8.514 -4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 218 30.632 7.054 -6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 218 29.184 6.875 -7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 30.610 8.632 -8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 29.140 9.289 -7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 30.542 9.462 -6.830 1.00 0.00 H new ATOM 208 N ASP A 219 25.359 6.101 -1.573 1.00 0.00 N ATOM 209 CA ASP A 219 24.628 6.406 -0.348 1.00 0.00 C ATOM 210 C ASP A 219 24.610 5.195 0.580 1.00 0.00 C ATOM 211 O ASP A 219 24.646 5.339 1.802 1.00 0.00 O ATOM 212 CB ASP A 219 23.193 6.817 -0.682 1.00 0.00 C ATOM 213 CG ASP A 219 23.178 8.211 -1.299 1.00 0.00 C ATOM 214 OD1 ASP A 219 24.184 8.896 -1.197 1.00 0.00 O ATOM 215 OD2 ASP A 219 22.161 8.575 -1.866 1.00 0.00 O ATOM 0 H ASP A 219 24.795 6.129 -2.422 1.00 0.00 H new ATOM 0 HA ASP A 219 25.132 7.230 0.157 1.00 0.00 H new ATOM 0 HB2 ASP A 219 22.753 6.100 -1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 219 22.583 6.804 0.221 1.00 0.00 H new ATOM 220 N GLU A 220 24.554 4.006 -0.008 1.00 0.00 N ATOM 221 CA GLU A 220 24.530 2.777 0.778 1.00 0.00 C ATOM 222 C GLU A 220 25.816 2.636 1.585 1.00 0.00 C ATOM 223 O GLU A 220 25.802 2.130 2.708 1.00 0.00 O ATOM 224 CB GLU A 220 24.366 1.570 -0.148 1.00 0.00 C ATOM 225 CG GLU A 220 22.975 1.599 -0.781 1.00 0.00 C ATOM 226 CD GLU A 220 22.833 0.456 -1.779 1.00 0.00 C ATOM 227 OE1 GLU A 220 23.785 -0.290 -1.935 1.00 0.00 O ATOM 228 OE2 GLU A 220 21.773 0.344 -2.373 1.00 0.00 O ATOM 0 H GLU A 220 24.525 3.866 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 220 23.686 2.821 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 220 25.131 1.587 -0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 220 24.502 0.646 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 220 22.212 1.514 -0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 220 22.815 2.553 -1.283 1.00 0.00 H new ATOM 235 N ILE A 221 26.925 3.089 1.010 1.00 0.00 N ATOM 236 CA ILE A 221 28.210 3.012 1.693 1.00 0.00 C ATOM 237 C ILE A 221 28.188 3.849 2.967 1.00 0.00 C ATOM 238 O ILE A 221 28.635 3.403 4.023 1.00 0.00 O ATOM 239 CB ILE A 221 29.323 3.512 0.770 1.00 0.00 C ATOM 240 CG1 ILE A 221 29.292 2.722 -0.541 1.00 0.00 C ATOM 241 CG2 ILE A 221 30.683 3.320 1.445 1.00 0.00 C ATOM 242 CD1 ILE A 221 30.314 3.305 -1.521 1.00 0.00 C ATOM 0 H ILE A 221 26.960 3.509 0.081 1.00 0.00 H new ATOM 0 HA ILE A 221 28.399 1.972 1.958 1.00 0.00 H new ATOM 0 HB ILE A 221 29.169 4.571 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 221 29.516 1.673 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 221 28.293 2.761 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 221 31.472 3.678 0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 221 30.709 3.883 2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 221 30.839 2.262 1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 221 30.288 2.740 -2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 221 30.071 4.348 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 221 31.312 3.243 -1.086 1.00 0.00 H new ATOM 254 N LYS A 222 27.667 5.065 2.858 1.00 0.00 N ATOM 255 CA LYS A 222 27.589 5.959 4.008 1.00 0.00 C ATOM 256 C LYS A 222 26.693 5.362 5.088 1.00 0.00 C ATOM 257 O LYS A 222 26.989 5.460 6.279 1.00 0.00 O ATOM 258 CB LYS A 222 27.040 7.315 3.576 1.00 0.00 C ATOM 259 CG LYS A 222 28.063 8.020 2.683 1.00 0.00 C ATOM 260 CD LYS A 222 27.463 9.324 2.137 1.00 0.00 C ATOM 261 CE LYS A 222 27.442 10.393 3.236 1.00 0.00 C ATOM 262 NZ LYS A 222 27.164 11.721 2.628 1.00 0.00 N ATOM 0 H LYS A 222 27.294 5.453 1.992 1.00 0.00 H new ATOM 0 HA LYS A 222 28.592 6.088 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 222 26.101 7.184 3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 222 26.823 7.927 4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 222 28.968 8.235 3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 222 28.351 7.368 1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 222 28.049 9.676 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 222 26.451 9.144 1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 222 26.680 10.153 3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 222 28.399 10.413 3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 222 27.149 12.447 3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 222 27.907 11.949 1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 222 26.241 11.697 2.149 1.00 0.00 H new ATOM 276 N ARG A 223 25.597 4.748 4.664 1.00 0.00 N ATOM 277 CA ARG A 223 24.660 4.142 5.600 1.00 0.00 C ATOM 278 C ARG A 223 25.342 3.050 6.411 1.00 0.00 C ATOM 279 O ARG A 223 25.004 2.822 7.572 1.00 0.00 O ATOM 280 CB ARG A 223 23.477 3.545 4.832 1.00 0.00 C ATOM 281 CG ARG A 223 22.686 4.668 4.137 1.00 0.00 C ATOM 282 CD ARG A 223 21.652 5.255 5.103 1.00 0.00 C ATOM 283 NE ARG A 223 20.723 4.215 5.528 1.00 0.00 N ATOM 284 CZ ARG A 223 19.771 4.468 6.418 1.00 0.00 C ATOM 285 NH1 ARG A 223 19.652 5.667 6.918 1.00 0.00 N ATOM 286 NH2 ARG A 223 18.957 3.519 6.793 1.00 0.00 N ATOM 0 H ARG A 223 25.335 4.656 3.682 1.00 0.00 H new ATOM 0 HA ARG A 223 24.304 4.914 6.282 1.00 0.00 H new ATOM 0 HB2 ARG A 223 23.836 2.829 4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 223 22.827 2.999 5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 223 23.367 5.450 3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 223 22.187 4.278 3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 223 22.154 5.683 5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 223 21.107 6.065 4.618 1.00 0.00 H new ATOM 0 HE ARG A 223 20.806 3.277 5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 223 20.289 6.407 6.625 1.00 0.00 H new ATOM 0 HH12 ARG A 223 18.921 5.864 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 223 19.052 2.582 6.402 1.00 0.00 H new ATOM 0 HH22 ARG A 223 18.226 3.715 7.477 1.00 0.00 H new ATOM 300 N GLU A 224 26.298 2.373 5.793 1.00 0.00 N ATOM 301 CA GLU A 224 27.017 1.300 6.468 1.00 0.00 C ATOM 302 C GLU A 224 27.708 1.830 7.722 1.00 0.00 C ATOM 303 O GLU A 224 27.774 1.143 8.741 1.00 0.00 O ATOM 304 CB GLU A 224 28.061 0.699 5.524 1.00 0.00 C ATOM 305 CG GLU A 224 28.654 -0.567 6.150 1.00 0.00 C ATOM 306 CD GLU A 224 27.610 -1.678 6.159 1.00 0.00 C ATOM 307 OE1 GLU A 224 26.561 -1.486 5.567 1.00 0.00 O ATOM 308 OE2 GLU A 224 27.874 -2.707 6.761 1.00 0.00 O ATOM 0 H GLU A 224 26.593 2.545 4.832 1.00 0.00 H new ATOM 0 HA GLU A 224 26.302 0.530 6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 224 27.603 0.462 4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 224 28.851 1.425 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 224 29.532 -0.885 5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 224 28.986 -0.359 7.167 1.00 0.00 H new ATOM 315 N TYR A 225 28.223 3.052 7.640 1.00 0.00 N ATOM 316 CA TYR A 225 28.908 3.656 8.776 1.00 0.00 C ATOM 317 C TYR A 225 27.922 3.939 9.901 1.00 0.00 C ATOM 318 O TYR A 225 28.307 4.389 10.981 1.00 0.00 O ATOM 319 CB TYR A 225 29.589 4.962 8.344 1.00 0.00 C ATOM 320 CG TYR A 225 30.862 4.647 7.595 1.00 0.00 C ATOM 321 CD1 TYR A 225 32.068 4.511 8.293 1.00 0.00 C ATOM 322 CD2 TYR A 225 30.837 4.489 6.204 1.00 0.00 C ATOM 323 CE1 TYR A 225 33.249 4.222 7.603 1.00 0.00 C ATOM 324 CE2 TYR A 225 32.019 4.198 5.511 1.00 0.00 C ATOM 325 CZ TYR A 225 33.225 4.064 6.211 1.00 0.00 C ATOM 326 OH TYR A 225 34.389 3.776 5.530 1.00 0.00 O ATOM 0 H TYR A 225 28.180 3.639 6.807 1.00 0.00 H new ATOM 0 HA TYR A 225 29.664 2.958 9.137 1.00 0.00 H new ATOM 0 HB2 TYR A 225 28.917 5.542 7.711 1.00 0.00 H new ATOM 0 HB3 TYR A 225 29.812 5.574 9.218 1.00 0.00 H new ATOM 0 HD1 TYR A 225 32.086 4.630 9.366 1.00 0.00 H new ATOM 0 HD2 TYR A 225 29.906 4.591 5.665 1.00 0.00 H new ATOM 0 HE1 TYR A 225 34.179 4.121 8.142 1.00 0.00 H new ATOM 0 HE2 TYR A 225 32.001 4.077 4.438 1.00 0.00 H new ATOM 0 HH TYR A 225 34.197 3.698 4.572 1.00 0.00 H new ATOM 336 N LYS A 226 26.647 3.676 9.643 1.00 0.00 N ATOM 337 CA LYS A 226 25.622 3.914 10.646 1.00 0.00 C ATOM 338 C LYS A 226 25.835 3.009 11.856 1.00 0.00 C ATOM 339 O LYS A 226 25.724 3.449 12.999 1.00 0.00 O ATOM 340 CB LYS A 226 24.234 3.654 10.051 1.00 0.00 C ATOM 341 CG LYS A 226 23.142 3.978 11.081 1.00 0.00 C ATOM 342 CD LYS A 226 23.133 5.487 11.374 1.00 0.00 C ATOM 343 CE LYS A 226 21.797 5.882 11.993 1.00 0.00 C ATOM 344 NZ LYS A 226 21.652 5.216 13.318 1.00 0.00 N ATOM 0 H LYS A 226 26.303 3.302 8.758 1.00 0.00 H new ATOM 0 HA LYS A 226 25.691 4.954 10.966 1.00 0.00 H new ATOM 0 HB2 LYS A 226 24.094 4.264 9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 226 24.153 2.612 9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 226 22.169 3.666 10.703 1.00 0.00 H new ATOM 0 HG3 LYS A 226 23.320 3.421 12.001 1.00 0.00 H new ATOM 0 HD2 LYS A 226 23.948 5.741 12.052 1.00 0.00 H new ATOM 0 HD3 LYS A 226 23.298 6.047 10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 226 21.743 6.964 12.109 1.00 0.00 H new ATOM 0 HE3 LYS A 226 20.978 5.591 11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 20.849 5.634 13.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 21.482 4.199 13.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 22.523 5.349 13.871 1.00 0.00 H new ATOM 358 N GLU A 227 26.130 1.743 11.592 1.00 0.00 N ATOM 359 CA GLU A 227 26.346 0.781 12.665 1.00 0.00 C ATOM 360 C GLU A 227 27.587 1.147 13.469 1.00 0.00 C ATOM 361 O GLU A 227 27.627 0.974 14.686 1.00 0.00 O ATOM 362 CB GLU A 227 26.510 -0.624 12.079 1.00 0.00 C ATOM 363 CG GLU A 227 25.208 -1.051 11.395 1.00 0.00 C ATOM 364 CD GLU A 227 24.100 -1.211 12.431 1.00 0.00 C ATOM 365 OE1 GLU A 227 24.425 -1.350 13.598 1.00 0.00 O ATOM 366 OE2 GLU A 227 22.945 -1.194 12.041 1.00 0.00 O ATOM 0 H GLU A 227 26.225 1.360 10.651 1.00 0.00 H new ATOM 0 HA GLU A 227 25.480 0.800 13.327 1.00 0.00 H new ATOM 0 HB2 GLU A 227 27.330 -0.636 11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 227 26.766 -1.331 12.868 1.00 0.00 H new ATOM 0 HG2 GLU A 227 24.918 -0.308 10.652 1.00 0.00 H new ATOM 0 HG3 GLU A 227 25.358 -1.991 10.864 1.00 0.00 H new ATOM 373 N MET A 228 28.602 1.654 12.777 1.00 0.00 N ATOM 374 CA MET A 228 29.843 2.041 13.434 1.00 0.00 C ATOM 375 C MET A 228 29.592 3.172 14.429 1.00 0.00 C ATOM 376 O MET A 228 30.240 3.249 15.472 1.00 0.00 O ATOM 377 CB MET A 228 30.874 2.486 12.393 1.00 0.00 C ATOM 378 CG MET A 228 32.244 2.635 13.059 1.00 0.00 C ATOM 379 SD MET A 228 32.904 0.994 13.450 1.00 0.00 S ATOM 380 CE MET A 228 34.647 1.467 13.544 1.00 0.00 C ATOM 0 H MET A 228 28.590 1.805 11.768 1.00 0.00 H new ATOM 0 HA MET A 228 30.230 1.177 13.975 1.00 0.00 H new ATOM 0 HB2 MET A 228 30.928 1.756 11.585 1.00 0.00 H new ATOM 0 HB3 MET A 228 30.570 3.433 11.947 1.00 0.00 H new ATOM 0 HG2 MET A 228 32.927 3.165 12.396 1.00 0.00 H new ATOM 0 HG3 MET A 228 32.156 3.230 13.968 1.00 0.00 H new ATOM 0 HE1 MET A 228 35.250 0.590 13.780 1.00 0.00 H new ATOM 0 HE2 MET A 228 34.964 1.879 12.586 1.00 0.00 H new ATOM 0 HE3 MET A 228 34.779 2.218 14.323 1.00 0.00 H new ATOM 390 N GLU A 229 28.654 4.053 14.093 1.00 0.00 N ATOM 391 CA GLU A 229 28.333 5.176 14.965 1.00 0.00 C ATOM 392 C GLU A 229 27.645 4.692 16.236 1.00 0.00 C ATOM 393 O GLU A 229 27.867 5.236 17.316 1.00 0.00 O ATOM 394 CB GLU A 229 27.420 6.163 14.231 1.00 0.00 C ATOM 395 CG GLU A 229 27.273 7.443 15.058 1.00 0.00 C ATOM 396 CD GLU A 229 28.588 8.218 15.053 1.00 0.00 C ATOM 397 OE1 GLU A 229 29.479 7.830 14.313 1.00 0.00 O ATOM 398 OE2 GLU A 229 28.685 9.186 15.788 1.00 0.00 O ATOM 0 H GLU A 229 28.108 4.012 13.232 1.00 0.00 H new ATOM 0 HA GLU A 229 29.263 5.675 15.239 1.00 0.00 H new ATOM 0 HB2 GLU A 229 27.835 6.398 13.251 1.00 0.00 H new ATOM 0 HB3 GLU A 229 26.442 5.713 14.063 1.00 0.00 H new ATOM 0 HG2 GLU A 229 26.475 8.062 14.648 1.00 0.00 H new ATOM 0 HG3 GLU A 229 26.991 7.195 16.081 1.00 0.00 H new ATOM 405 N GLY A 230 26.806 3.667 16.102 1.00 0.00 N ATOM 406 CA GLY A 230 26.086 3.115 17.252 1.00 0.00 C ATOM 407 C GLY A 230 26.713 1.802 17.700 1.00 0.00 C ATOM 408 O GLY A 230 27.359 1.734 18.744 1.00 0.00 O ATOM 0 H GLY A 230 26.607 3.203 15.216 1.00 0.00 H new ATOM 0 HA2 GLY A 230 26.101 3.830 18.074 1.00 0.00 H new ATOM 0 HA3 GLY A 230 25.041 2.954 16.989 1.00 0.00 H new ATOM 437 N GLU A 233 26.535 -1.775 22.584 1.00 0.00 N ATOM 438 CA GLU A 233 26.995 -0.997 23.728 1.00 0.00 C ATOM 439 C GLU A 233 28.250 -1.621 24.332 1.00 0.00 C ATOM 440 O GLU A 233 28.950 -0.988 25.117 1.00 0.00 O ATOM 441 CB GLU A 233 25.894 -0.924 24.788 1.00 0.00 C ATOM 442 CG GLU A 233 25.552 -2.336 25.272 1.00 0.00 C ATOM 443 CD GLU A 233 24.401 -2.278 26.270 1.00 0.00 C ATOM 444 OE1 GLU A 233 24.323 -1.303 26.998 1.00 0.00 O ATOM 445 OE2 GLU A 233 23.614 -3.210 26.289 1.00 0.00 O ATOM 0 HA GLU A 233 27.234 0.010 23.386 1.00 0.00 H new ATOM 0 HB2 GLU A 233 26.223 -0.311 25.627 1.00 0.00 H new ATOM 0 HB3 GLU A 233 25.007 -0.446 24.373 1.00 0.00 H new ATOM 0 HG2 GLU A 233 25.278 -2.964 24.424 1.00 0.00 H new ATOM 0 HG3 GLU A 233 26.426 -2.792 25.738 1.00 0.00 H new ATOM 452 N ILE A 234 28.522 -2.866 23.968 1.00 0.00 N ATOM 453 CA ILE A 234 29.692 -3.568 24.490 1.00 0.00 C ATOM 454 C ILE A 234 30.980 -2.880 24.044 1.00 0.00 C ATOM 455 O ILE A 234 31.915 -2.722 24.831 1.00 0.00 O ATOM 456 CB ILE A 234 29.691 -5.019 24.001 1.00 0.00 C ATOM 457 CG1 ILE A 234 28.516 -5.767 24.634 1.00 0.00 C ATOM 458 CG2 ILE A 234 31.002 -5.699 24.407 1.00 0.00 C ATOM 459 CD1 ILE A 234 28.334 -7.117 23.937 1.00 0.00 C ATOM 0 H ILE A 234 27.955 -3.410 23.318 1.00 0.00 H new ATOM 0 HA ILE A 234 29.645 -3.549 25.579 1.00 0.00 H new ATOM 0 HB ILE A 234 29.595 -5.035 22.915 1.00 0.00 H new ATOM 0 HG12 ILE A 234 28.698 -5.917 25.698 1.00 0.00 H new ATOM 0 HG13 ILE A 234 27.605 -5.175 24.547 1.00 0.00 H new ATOM 0 HG21 ILE A 234 30.999 -6.732 24.058 1.00 0.00 H new ATOM 0 HG22 ILE A 234 31.842 -5.167 23.960 1.00 0.00 H new ATOM 0 HG23 ILE A 234 31.099 -5.683 25.493 1.00 0.00 H new ATOM 0 HD11 ILE A 234 27.497 -7.650 24.388 1.00 0.00 H new ATOM 0 HD12 ILE A 234 28.133 -6.956 22.878 1.00 0.00 H new ATOM 0 HD13 ILE A 234 29.243 -7.709 24.048 1.00 0.00 H new ATOM 471 N LYS A 235 31.030 -2.486 22.777 1.00 0.00 N ATOM 472 CA LYS A 235 32.216 -1.830 22.240 1.00 0.00 C ATOM 473 C LYS A 235 32.385 -0.440 22.844 1.00 0.00 C ATOM 474 O LYS A 235 33.410 0.214 22.641 1.00 0.00 O ATOM 475 CB LYS A 235 32.112 -1.716 20.717 1.00 0.00 C ATOM 476 CG LYS A 235 32.176 -3.114 20.095 1.00 0.00 C ATOM 477 CD LYS A 235 32.089 -2.998 18.572 1.00 0.00 C ATOM 478 CE LYS A 235 32.149 -4.394 17.949 1.00 0.00 C ATOM 479 NZ LYS A 235 32.052 -4.281 16.466 1.00 0.00 N ATOM 0 H LYS A 235 30.270 -2.608 22.107 1.00 0.00 H new ATOM 0 HA LYS A 235 33.085 -2.434 22.500 1.00 0.00 H new ATOM 0 HB2 LYS A 235 31.178 -1.226 20.441 1.00 0.00 H new ATOM 0 HB3 LYS A 235 32.923 -1.097 20.332 1.00 0.00 H new ATOM 0 HG2 LYS A 235 33.104 -3.609 20.380 1.00 0.00 H new ATOM 0 HG3 LYS A 235 31.358 -3.729 20.471 1.00 0.00 H new ATOM 0 HD2 LYS A 235 31.162 -2.501 18.287 1.00 0.00 H new ATOM 0 HD3 LYS A 235 32.908 -2.385 18.196 1.00 0.00 H new ATOM 0 HE2 LYS A 235 33.080 -4.888 18.227 1.00 0.00 H new ATOM 0 HE3 LYS A 235 31.335 -5.010 18.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 32.093 -5.230 16.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 31.152 -3.826 16.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 32.843 -3.708 16.109 1.00 0.00 H new ATOM 493 N SER A 236 31.380 0.003 23.586 1.00 0.00 N ATOM 494 CA SER A 236 31.428 1.320 24.213 1.00 0.00 C ATOM 495 C SER A 236 32.582 1.395 25.208 1.00 0.00 C ATOM 496 O SER A 236 33.267 2.413 25.299 1.00 0.00 O ATOM 497 CB SER A 236 30.113 1.605 24.937 1.00 0.00 C ATOM 498 OG SER A 236 29.029 1.380 24.043 1.00 0.00 O ATOM 0 H SER A 236 30.526 -0.524 23.769 1.00 0.00 H new ATOM 0 HA SER A 236 31.581 2.066 23.433 1.00 0.00 H new ATOM 0 HB2 SER A 236 30.018 0.961 25.812 1.00 0.00 H new ATOM 0 HB3 SER A 236 30.097 2.634 25.295 1.00 0.00 H new ATOM 0 HG SER A 236 28.183 1.560 24.503 1.00 0.00 H new ATOM 504 N LYS A 237 32.791 0.313 25.950 1.00 0.00 N ATOM 505 CA LYS A 237 33.866 0.271 26.934 1.00 0.00 C ATOM 506 C LYS A 237 35.224 0.391 26.251 1.00 0.00 C ATOM 507 O LYS A 237 36.102 1.118 26.719 1.00 0.00 O ATOM 508 CB LYS A 237 33.802 -1.040 27.721 1.00 0.00 C ATOM 509 CG LYS A 237 32.549 -1.050 28.596 1.00 0.00 C ATOM 510 CD LYS A 237 32.473 -2.370 29.368 1.00 0.00 C ATOM 511 CE LYS A 237 31.215 -2.382 30.238 1.00 0.00 C ATOM 512 NZ LYS A 237 31.140 -3.670 30.984 1.00 0.00 N ATOM 0 H LYS A 237 32.235 -0.540 25.890 1.00 0.00 H new ATOM 0 HA LYS A 237 33.741 1.111 27.617 1.00 0.00 H new ATOM 0 HB2 LYS A 237 33.786 -1.887 27.036 1.00 0.00 H new ATOM 0 HB3 LYS A 237 34.692 -1.148 28.341 1.00 0.00 H new ATOM 0 HG2 LYS A 237 32.572 -0.211 29.291 1.00 0.00 H new ATOM 0 HG3 LYS A 237 31.660 -0.927 27.977 1.00 0.00 H new ATOM 0 HD2 LYS A 237 32.455 -3.209 28.673 1.00 0.00 H new ATOM 0 HD3 LYS A 237 33.360 -2.491 29.991 1.00 0.00 H new ATOM 0 HE2 LYS A 237 31.235 -1.545 30.936 1.00 0.00 H new ATOM 0 HE3 LYS A 237 30.328 -2.257 29.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 30.285 -3.679 31.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 31.102 -4.460 30.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 31.980 -3.771 31.588 1.00 0.00 H new ATOM 526 N ARG A 238 35.390 -0.327 25.145 1.00 0.00 N ATOM 527 CA ARG A 238 36.647 -0.292 24.406 1.00 0.00 C ATOM 528 C ARG A 238 36.877 1.089 23.801 1.00 0.00 C ATOM 529 O ARG A 238 37.998 1.596 23.795 1.00 0.00 O ATOM 530 CB ARG A 238 36.627 -1.342 23.293 1.00 0.00 C ATOM 531 CG ARG A 238 36.712 -2.739 23.911 1.00 0.00 C ATOM 532 CD ARG A 238 36.649 -3.791 22.803 1.00 0.00 C ATOM 533 NE ARG A 238 36.721 -5.131 23.374 1.00 0.00 N ATOM 534 CZ ARG A 238 36.975 -6.191 22.612 1.00 0.00 C ATOM 535 NH1 ARG A 238 37.165 -6.040 21.330 1.00 0.00 N ATOM 536 NH2 ARG A 238 37.034 -7.380 23.146 1.00 0.00 N ATOM 0 H ARG A 238 34.677 -0.935 24.743 1.00 0.00 H new ATOM 0 HA ARG A 238 37.460 -0.511 25.099 1.00 0.00 H new ATOM 0 HB2 ARG A 238 35.714 -1.247 22.705 1.00 0.00 H new ATOM 0 HB3 ARG A 238 37.463 -1.182 22.612 1.00 0.00 H new ATOM 0 HG2 ARG A 238 37.639 -2.843 24.474 1.00 0.00 H new ATOM 0 HG3 ARG A 238 35.893 -2.887 24.615 1.00 0.00 H new ATOM 0 HD2 ARG A 238 35.724 -3.678 22.237 1.00 0.00 H new ATOM 0 HD3 ARG A 238 37.471 -3.642 22.103 1.00 0.00 H new ATOM 0 HE ARG A 238 36.574 -5.257 24.375 1.00 0.00 H new ATOM 0 HH11 ARG A 238 37.119 -5.110 20.914 1.00 0.00 H new ATOM 0 HH12 ARG A 238 37.360 -6.852 20.744 1.00 0.00 H new ATOM 0 HH21 ARG A 238 36.885 -7.497 24.148 1.00 0.00 H new ATOM 0 HH22 ARG A 238 37.229 -8.193 22.561 1.00 0.00 H new ATOM 550 N ARG A 239 35.808 1.694 23.294 1.00 0.00 N ATOM 551 CA ARG A 239 35.906 3.016 22.689 1.00 0.00 C ATOM 552 C ARG A 239 36.325 4.047 23.731 1.00 0.00 C ATOM 553 O ARG A 239 37.153 4.918 23.460 1.00 0.00 O ATOM 554 CB ARG A 239 34.560 3.416 22.082 1.00 0.00 C ATOM 555 CG ARG A 239 34.698 4.763 21.369 1.00 0.00 C ATOM 556 CD ARG A 239 33.369 5.133 20.712 1.00 0.00 C ATOM 557 NE ARG A 239 33.065 4.201 19.632 1.00 0.00 N ATOM 558 CZ ARG A 239 31.945 4.309 18.925 1.00 0.00 C ATOM 559 NH1 ARG A 239 31.093 5.260 19.195 1.00 0.00 N ATOM 560 NH2 ARG A 239 31.696 3.462 17.963 1.00 0.00 N ATOM 0 H ARG A 239 34.870 1.293 23.290 1.00 0.00 H new ATOM 0 HA ARG A 239 36.660 2.982 21.902 1.00 0.00 H new ATOM 0 HB2 ARG A 239 34.226 2.653 21.379 1.00 0.00 H new ATOM 0 HB3 ARG A 239 33.803 3.483 22.863 1.00 0.00 H new ATOM 0 HG2 ARG A 239 34.991 5.535 22.081 1.00 0.00 H new ATOM 0 HG3 ARG A 239 35.485 4.709 20.617 1.00 0.00 H new ATOM 0 HD2 ARG A 239 32.571 5.115 21.454 1.00 0.00 H new ATOM 0 HD3 ARG A 239 33.418 6.150 20.322 1.00 0.00 H new ATOM 0 HE ARG A 239 33.724 3.453 19.416 1.00 0.00 H new ATOM 0 HH11 ARG A 239 31.287 5.920 19.948 1.00 0.00 H new ATOM 0 HH12 ARG A 239 30.233 5.343 18.653 1.00 0.00 H new ATOM 0 HH21 ARG A 239 32.361 2.717 17.754 1.00 0.00 H new ATOM 0 HH22 ARG A 239 30.836 3.545 17.420 1.00 0.00 H new ATOM 574 N GLN A 240 35.745 3.946 24.922 1.00 0.00 N ATOM 575 CA GLN A 240 36.061 4.881 25.995 1.00 0.00 C ATOM 576 C GLN A 240 37.572 5.025 26.145 1.00 0.00 C ATOM 577 O GLN A 240 38.070 6.087 26.518 1.00 0.00 O ATOM 578 CB GLN A 240 35.461 4.382 27.313 1.00 0.00 C ATOM 579 CG GLN A 240 35.643 5.446 28.402 1.00 0.00 C ATOM 580 CD GLN A 240 34.797 6.673 28.073 1.00 0.00 C ATOM 581 OE1 GLN A 240 33.666 6.541 27.608 1.00 0.00 O ATOM 582 NE2 GLN A 240 35.285 7.864 28.284 1.00 0.00 N ATOM 0 H GLN A 240 35.059 3.232 25.168 1.00 0.00 H new ATOM 0 HA GLN A 240 35.635 5.853 25.747 1.00 0.00 H new ATOM 0 HB2 GLN A 240 34.402 4.161 27.181 1.00 0.00 H new ATOM 0 HB3 GLN A 240 35.945 3.453 27.615 1.00 0.00 H new ATOM 0 HG2 GLN A 240 35.351 5.041 29.371 1.00 0.00 H new ATOM 0 HG3 GLN A 240 36.694 5.727 28.477 1.00 0.00 H new ATOM 0 HE21 GLN A 240 36.223 7.970 28.670 1.00 0.00 H new ATOM 0 HE22 GLN A 240 34.728 8.690 28.063 1.00 0.00 H new ATOM 591 N PHE A 241 38.297 3.950 25.854 1.00 0.00 N ATOM 592 CA PHE A 241 39.750 3.969 25.965 1.00 0.00 C ATOM 593 C PHE A 241 40.344 4.995 25.004 1.00 0.00 C ATOM 594 O PHE A 241 41.213 5.781 25.380 1.00 0.00 O ATOM 595 CB PHE A 241 40.313 2.584 25.649 1.00 0.00 C ATOM 596 CG PHE A 241 41.814 2.601 25.811 1.00 0.00 C ATOM 597 CD1 PHE A 241 42.378 2.620 27.093 1.00 0.00 C ATOM 598 CD2 PHE A 241 42.643 2.598 24.682 1.00 0.00 C ATOM 599 CE1 PHE A 241 43.768 2.635 27.246 1.00 0.00 C ATOM 600 CE2 PHE A 241 44.034 2.613 24.835 1.00 0.00 C ATOM 601 CZ PHE A 241 44.597 2.631 26.117 1.00 0.00 C ATOM 0 H PHE A 241 37.906 3.061 25.542 1.00 0.00 H new ATOM 0 HA PHE A 241 40.017 4.245 26.985 1.00 0.00 H new ATOM 0 HB2 PHE A 241 39.873 1.841 26.314 1.00 0.00 H new ATOM 0 HB3 PHE A 241 40.050 2.296 24.631 1.00 0.00 H new ATOM 0 HD1 PHE A 241 41.739 2.623 27.964 1.00 0.00 H new ATOM 0 HD2 PHE A 241 42.209 2.584 23.693 1.00 0.00 H new ATOM 0 HE1 PHE A 241 44.202 2.650 28.235 1.00 0.00 H new ATOM 0 HE2 PHE A 241 44.673 2.611 23.964 1.00 0.00 H new ATOM 0 HZ PHE A 241 45.670 2.642 26.235 1.00 0.00 H new ATOM 611 N HIS A 242 39.871 4.979 23.762 1.00 0.00 N ATOM 612 CA HIS A 242 40.361 5.915 22.757 1.00 0.00 C ATOM 613 C HIS A 242 39.957 7.341 23.112 1.00 0.00 C ATOM 614 O HIS A 242 40.743 8.277 22.959 1.00 0.00 O ATOM 615 CB HIS A 242 39.801 5.548 21.383 1.00 0.00 C ATOM 616 CG HIS A 242 40.405 4.251 20.923 1.00 0.00 C ATOM 617 ND1 HIS A 242 41.743 4.137 20.581 1.00 0.00 N ATOM 618 CD2 HIS A 242 39.866 3.000 20.742 1.00 0.00 C ATOM 619 CE1 HIS A 242 41.964 2.861 20.215 1.00 0.00 C ATOM 620 NE2 HIS A 242 40.851 2.125 20.295 1.00 0.00 N ATOM 0 H HIS A 242 39.155 4.334 23.429 1.00 0.00 H new ATOM 0 HA HIS A 242 41.449 5.855 22.731 1.00 0.00 H new ATOM 0 HB2 HIS A 242 38.716 5.458 21.434 1.00 0.00 H new ATOM 0 HB3 HIS A 242 40.022 6.339 20.666 1.00 0.00 H new ATOM 0 HD2 HIS A 242 38.834 2.736 20.920 1.00 0.00 H new ATOM 0 HE1 HIS A 242 42.922 2.479 19.896 1.00 0.00 H new ATOM 0 HE2 HIS A 242 40.746 1.134 20.075 1.00 0.00 H new ATOM 628 N GLN A 243 38.725 7.500 23.586 1.00 0.00 N ATOM 629 CA GLN A 243 38.220 8.816 23.959 1.00 0.00 C ATOM 630 C GLN A 243 38.966 9.350 25.178 1.00 0.00 C ATOM 631 O GLN A 243 39.081 10.561 25.366 1.00 0.00 O ATOM 632 CB GLN A 243 36.725 8.735 24.267 1.00 0.00 C ATOM 633 CG GLN A 243 35.958 8.418 22.981 1.00 0.00 C ATOM 634 CD GLN A 243 34.468 8.284 23.283 1.00 0.00 C ATOM 635 OE1 GLN A 243 34.039 8.515 24.413 1.00 0.00 O ATOM 636 NE2 GLN A 243 33.649 7.923 22.332 1.00 0.00 N ATOM 0 H GLN A 243 38.061 6.737 23.720 1.00 0.00 H new ATOM 0 HA GLN A 243 38.380 9.496 23.123 1.00 0.00 H new ATOM 0 HB2 GLN A 243 36.538 7.964 25.015 1.00 0.00 H new ATOM 0 HB3 GLN A 243 36.377 9.679 24.688 1.00 0.00 H new ATOM 0 HG2 GLN A 243 36.119 9.208 22.247 1.00 0.00 H new ATOM 0 HG3 GLN A 243 36.333 7.494 22.542 1.00 0.00 H new ATOM 0 HE21 GLN A 243 34.007 7.732 21.396 1.00 0.00 H new ATOM 0 HE22 GLN A 243 32.652 7.832 22.525 1.00 0.00 H new ATOM 645 N GLU A 244 39.467 8.437 26.002 1.00 0.00 N ATOM 646 CA GLU A 244 40.199 8.826 27.202 1.00 0.00 C ATOM 647 C GLU A 244 41.501 9.526 26.829 1.00 0.00 C ATOM 648 O GLU A 244 42.022 10.336 27.594 1.00 0.00 O ATOM 649 CB GLU A 244 40.505 7.587 28.049 1.00 0.00 C ATOM 650 CG GLU A 244 41.182 8.012 29.354 1.00 0.00 C ATOM 651 CD GLU A 244 41.430 6.792 30.234 1.00 0.00 C ATOM 652 OE1 GLU A 244 40.848 5.757 29.954 1.00 0.00 O ATOM 653 OE2 GLU A 244 42.198 6.911 31.173 1.00 0.00 O ATOM 0 H GLU A 244 39.381 7.430 25.863 1.00 0.00 H new ATOM 0 HA GLU A 244 39.582 9.516 27.778 1.00 0.00 H new ATOM 0 HB2 GLU A 244 39.584 7.045 28.265 1.00 0.00 H new ATOM 0 HB3 GLU A 244 41.153 6.907 27.496 1.00 0.00 H new ATOM 0 HG2 GLU A 244 42.126 8.512 29.137 1.00 0.00 H new ATOM 0 HG3 GLU A 244 40.554 8.730 29.882 1.00 0.00 H new ATOM 660 N ILE A 245 42.021 9.204 25.648 1.00 0.00 N ATOM 661 CA ILE A 245 43.265 9.807 25.183 1.00 0.00 C ATOM 662 C ILE A 245 43.085 11.308 24.975 1.00 0.00 C ATOM 663 O ILE A 245 44.048 12.072 25.032 1.00 0.00 O ATOM 664 CB ILE A 245 43.702 9.157 23.868 1.00 0.00 C ATOM 665 CG1 ILE A 245 44.020 7.678 24.114 1.00 0.00 C ATOM 666 CG2 ILE A 245 44.951 9.864 23.337 1.00 0.00 C ATOM 667 CD1 ILE A 245 44.216 6.967 22.774 1.00 0.00 C ATOM 0 H ILE A 245 41.604 8.535 25.001 1.00 0.00 H new ATOM 0 HA ILE A 245 44.032 9.644 25.940 1.00 0.00 H new ATOM 0 HB ILE A 245 42.899 9.242 23.136 1.00 0.00 H new ATOM 0 HG12 ILE A 245 44.920 7.585 24.722 1.00 0.00 H new ATOM 0 HG13 ILE A 245 43.209 7.209 24.671 1.00 0.00 H new ATOM 0 HG21 ILE A 245 45.261 9.400 22.401 1.00 0.00 H new ATOM 0 HG22 ILE A 245 44.727 10.917 23.164 1.00 0.00 H new ATOM 0 HG23 ILE A 245 45.755 9.779 24.068 1.00 0.00 H new ATOM 0 HD11 ILE A 245 44.442 5.915 22.950 1.00 0.00 H new ATOM 0 HD12 ILE A 245 43.304 7.048 22.182 1.00 0.00 H new ATOM 0 HD13 ILE A 245 45.042 7.430 22.234 1.00 0.00 H new ATOM 679 N GLN A 246 41.846 11.720 24.734 1.00 0.00 N ATOM 680 CA GLN A 246 41.551 13.132 24.517 1.00 0.00 C ATOM 681 C GLN A 246 41.842 13.937 25.781 1.00 0.00 C ATOM 682 O GLN A 246 42.285 15.082 25.708 1.00 0.00 O ATOM 683 CB GLN A 246 40.081 13.304 24.124 1.00 0.00 C ATOM 684 CG GLN A 246 39.820 14.765 23.750 1.00 0.00 C ATOM 685 CD GLN A 246 38.361 14.948 23.346 1.00 0.00 C ATOM 686 OE1 GLN A 246 37.462 14.434 24.010 1.00 0.00 O ATOM 687 NE2 GLN A 246 38.072 15.654 22.287 1.00 0.00 N ATOM 0 H GLN A 246 41.035 11.103 24.684 1.00 0.00 H new ATOM 0 HA GLN A 246 42.186 13.500 23.711 1.00 0.00 H new ATOM 0 HB2 GLN A 246 39.840 12.654 23.283 1.00 0.00 H new ATOM 0 HB3 GLN A 246 39.435 13.008 24.951 1.00 0.00 H new ATOM 0 HG2 GLN A 246 40.056 15.413 24.594 1.00 0.00 H new ATOM 0 HG3 GLN A 246 40.473 15.061 22.929 1.00 0.00 H new ATOM 0 HE21 GLN A 246 38.819 16.079 21.738 1.00 0.00 H new ATOM 0 HE22 GLN A 246 37.099 15.781 22.008 1.00 0.00 H new ATOM 696 N SER A 247 41.583 13.332 26.934 1.00 0.00 N ATOM 697 CA SER A 247 41.818 14.004 28.207 1.00 0.00 C ATOM 698 C SER A 247 43.310 14.214 28.437 1.00 0.00 C ATOM 699 O SER A 247 43.712 15.074 29.222 1.00 0.00 O ATOM 700 CB SER A 247 41.236 13.173 29.351 1.00 0.00 C ATOM 701 OG SER A 247 41.873 11.903 29.380 1.00 0.00 O ATOM 0 H SER A 247 41.213 12.385 27.015 1.00 0.00 H new ATOM 0 HA SER A 247 41.327 14.977 28.177 1.00 0.00 H new ATOM 0 HB2 SER A 247 41.382 13.688 30.301 1.00 0.00 H new ATOM 0 HB3 SER A 247 40.161 13.051 29.217 1.00 0.00 H new ATOM 0 HG SER A 247 41.501 11.334 28.674 1.00 0.00 H new ATOM 707 N ARG A 248 44.128 13.427 27.747 1.00 0.00 N ATOM 708 CA ARG A 248 45.577 13.535 27.883 1.00 0.00 C ATOM 709 C ARG A 248 46.111 14.674 27.021 1.00 0.00 C ATOM 710 O ARG A 248 47.308 14.742 26.740 1.00 0.00 O ATOM 711 CB ARG A 248 46.242 12.220 27.469 1.00 0.00 C ATOM 712 CG ARG A 248 45.832 11.112 28.441 1.00 0.00 C ATOM 713 CD ARG A 248 46.437 9.784 27.983 1.00 0.00 C ATOM 714 NE ARG A 248 47.892 9.843 28.055 1.00 0.00 N ATOM 715 CZ ARG A 248 48.643 8.847 27.598 1.00 0.00 C ATOM 716 NH1 ARG A 248 48.080 7.792 27.075 1.00 0.00 N ATOM 717 NH2 ARG A 248 49.944 8.922 27.673 1.00 0.00 N ATOM 0 H ARG A 248 43.816 12.711 27.091 1.00 0.00 H new ATOM 0 HA ARG A 248 45.811 13.744 28.927 1.00 0.00 H new ATOM 0 HB2 ARG A 248 45.947 11.955 26.454 1.00 0.00 H new ATOM 0 HB3 ARG A 248 47.326 12.333 27.467 1.00 0.00 H new ATOM 0 HG2 ARG A 248 46.174 11.352 29.448 1.00 0.00 H new ATOM 0 HG3 ARG A 248 44.746 11.034 28.483 1.00 0.00 H new ATOM 0 HD2 ARG A 248 46.067 8.972 28.609 1.00 0.00 H new ATOM 0 HD3 ARG A 248 46.125 9.566 26.962 1.00 0.00 H new ATOM 0 HE ARG A 248 48.341 10.663 28.463 1.00 0.00 H new ATOM 0 HH11 ARG A 248 47.063 7.732 27.017 1.00 0.00 H new ATOM 0 HH12 ARG A 248 48.657 7.027 26.724 1.00 0.00 H new ATOM 0 HH21 ARG A 248 50.385 9.746 28.083 1.00 0.00 H new ATOM 0 HH22 ARG A 248 50.520 8.157 27.322 1.00 0.00 H new