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 -27:sc= 0.607 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+ 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+ -111:sc= 1.18 (180deg=0.565) USER MOD Single : A 236 SER OG : rot 180:sc= -1.33 USER MOD Single : A 237 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 GLN : amide:sc= -3.38! C(o=-3.4!,f=-3.7!) USER MOD Single : A 242 HIS : no HD1:sc= -0.0393 X(o=-0.039,f=-0.05) USER MOD Single : A 243 GLN : amide:sc= -0.276 K(o=-0.28,f=-1) USER MOD Single : A 246 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 247 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 217 45.319 -0.193 1.475 1.00 0.00 N ATOM 176 CA SER A 217 43.920 0.161 1.676 1.00 0.00 C ATOM 177 C SER A 217 43.024 -1.056 1.471 1.00 0.00 C ATOM 178 O SER A 217 41.810 -0.987 1.668 1.00 0.00 O ATOM 179 CB SER A 217 43.515 1.267 0.701 1.00 0.00 C ATOM 180 OG SER A 217 42.158 1.620 0.933 1.00 0.00 O ATOM 0 HA SER A 217 43.799 0.518 2.699 1.00 0.00 H new ATOM 0 HB2 SER A 217 44.157 2.138 0.833 1.00 0.00 H new ATOM 0 HB3 SER A 217 43.645 0.928 -0.327 1.00 0.00 H new ATOM 0 HG SER A 217 41.679 0.850 1.305 1.00 0.00 H new ATOM 186 N LYS A 218 43.631 -2.170 1.077 1.00 0.00 N ATOM 187 CA LYS A 218 42.881 -3.399 0.851 1.00 0.00 C ATOM 188 C LYS A 218 42.214 -3.864 2.140 1.00 0.00 C ATOM 189 O LYS A 218 41.133 -4.454 2.115 1.00 0.00 O ATOM 190 CB LYS A 218 43.816 -4.491 0.333 1.00 0.00 C ATOM 191 CG LYS A 218 42.996 -5.729 -0.039 1.00 0.00 C ATOM 192 CD LYS A 218 43.906 -6.769 -0.704 1.00 0.00 C ATOM 193 CE LYS A 218 44.806 -7.428 0.349 1.00 0.00 C ATOM 194 NZ LYS A 218 45.435 -8.645 -0.229 1.00 0.00 N ATOM 0 H LYS A 218 44.634 -2.247 0.908 1.00 0.00 H new ATOM 0 HA LYS A 218 42.108 -3.201 0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 218 44.367 -4.131 -0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 218 44.553 -4.745 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 218 42.534 -6.153 0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 218 42.188 -5.452 -0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 218 43.302 -7.526 -1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 218 44.517 -6.292 -1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 218 45.575 -6.728 0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 218 44.221 -7.691 1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 46.045 -9.092 0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 44.694 -9.314 -0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 46.006 -8.381 -1.057 1.00 0.00 H new ATOM 208 N ASP A 219 42.866 -3.596 3.266 1.00 0.00 N ATOM 209 CA ASP A 219 42.326 -3.990 4.563 1.00 0.00 C ATOM 210 C ASP A 219 41.008 -3.271 4.833 1.00 0.00 C ATOM 211 O ASP A 219 40.102 -3.827 5.452 1.00 0.00 O ATOM 212 CB ASP A 219 43.326 -3.656 5.671 1.00 0.00 C ATOM 213 CG ASP A 219 42.895 -4.309 6.978 1.00 0.00 C ATOM 214 OD1 ASP A 219 42.050 -5.188 6.927 1.00 0.00 O ATOM 215 OD2 ASP A 219 43.414 -3.921 8.012 1.00 0.00 O ATOM 0 H ASP A 219 43.762 -3.111 3.308 1.00 0.00 H new ATOM 0 HA ASP A 219 42.147 -5.065 4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 219 44.320 -4.005 5.392 1.00 0.00 H new ATOM 0 HB3 ASP A 219 43.391 -2.576 5.799 1.00 0.00 H new ATOM 220 N GLU A 220 40.910 -2.030 4.365 1.00 0.00 N ATOM 221 CA GLU A 220 39.697 -1.245 4.566 1.00 0.00 C ATOM 222 C GLU A 220 38.461 -2.077 4.235 1.00 0.00 C ATOM 223 O GLU A 220 37.369 -1.812 4.738 1.00 0.00 O ATOM 224 CB GLU A 220 39.730 0.000 3.674 1.00 0.00 C ATOM 225 CG GLU A 220 38.509 0.875 3.967 1.00 0.00 C ATOM 226 CD GLU A 220 38.553 2.136 3.112 1.00 0.00 C ATOM 227 OE1 GLU A 220 39.371 2.186 2.208 1.00 0.00 O ATOM 228 OE2 GLU A 220 37.767 3.031 3.373 1.00 0.00 O ATOM 0 H GLU A 220 41.648 -1.550 3.849 1.00 0.00 H new ATOM 0 HA GLU A 220 39.649 -0.943 5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 220 40.645 0.564 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 220 39.737 -0.293 2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 220 37.595 0.318 3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 220 38.488 1.143 5.023 1.00 0.00 H new ATOM 235 N ILE A 221 38.641 -3.084 3.388 1.00 0.00 N ATOM 236 CA ILE A 221 37.533 -3.949 2.999 1.00 0.00 C ATOM 237 C ILE A 221 37.009 -4.717 4.208 1.00 0.00 C ATOM 238 O ILE A 221 35.800 -4.850 4.399 1.00 0.00 O ATOM 239 CB ILE A 221 37.992 -4.935 1.920 1.00 0.00 C ATOM 240 CG1 ILE A 221 38.315 -4.163 0.638 1.00 0.00 C ATOM 241 CG2 ILE A 221 36.874 -5.941 1.632 1.00 0.00 C ATOM 242 CD1 ILE A 221 39.024 -5.089 -0.351 1.00 0.00 C ATOM 0 H ILE A 221 39.536 -3.321 2.960 1.00 0.00 H new ATOM 0 HA ILE A 221 36.731 -3.328 2.601 1.00 0.00 H new ATOM 0 HB ILE A 221 38.878 -5.466 2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 221 37.398 -3.774 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 221 38.948 -3.305 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 221 37.203 -6.641 0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 221 36.634 -6.489 2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 221 35.988 -5.410 1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 221 39.254 -4.539 -1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 221 39.949 -5.457 0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 221 38.376 -5.932 -0.589 1.00 0.00 H new ATOM 254 N LYS A 222 37.928 -5.224 5.018 1.00 0.00 N ATOM 255 CA LYS A 222 37.551 -5.984 6.201 1.00 0.00 C ATOM 256 C LYS A 222 36.736 -5.123 7.158 1.00 0.00 C ATOM 257 O LYS A 222 35.854 -5.619 7.858 1.00 0.00 O ATOM 258 CB LYS A 222 38.803 -6.495 6.918 1.00 0.00 C ATOM 259 CG LYS A 222 38.416 -7.632 7.888 1.00 0.00 C ATOM 260 CD LYS A 222 38.427 -8.984 7.149 1.00 0.00 C ATOM 261 CE LYS A 222 39.839 -9.571 7.169 1.00 0.00 C ATOM 262 NZ LYS A 222 39.838 -10.886 6.479 1.00 0.00 N ATOM 0 H LYS A 222 38.933 -5.124 4.879 1.00 0.00 H new ATOM 0 HA LYS A 222 36.942 -6.830 5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 222 39.530 -6.856 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 222 39.278 -5.681 7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 222 39.114 -7.660 8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 222 37.426 -7.444 8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 222 37.729 -9.674 7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 222 38.093 -8.850 6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 222 40.534 -8.891 6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 222 40.181 -9.688 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 222 40.798 -11.286 6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 222 39.187 -11.534 6.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 222 39.529 -10.761 5.494 1.00 0.00 H new ATOM 276 N ARG A 223 37.043 -3.835 7.187 1.00 0.00 N ATOM 277 CA ARG A 223 36.338 -2.912 8.065 1.00 0.00 C ATOM 278 C ARG A 223 34.845 -2.912 7.751 1.00 0.00 C ATOM 279 O ARG A 223 34.011 -2.877 8.656 1.00 0.00 O ATOM 280 CB ARG A 223 36.898 -1.498 7.897 1.00 0.00 C ATOM 281 CG ARG A 223 36.220 -0.558 8.896 1.00 0.00 C ATOM 282 CD ARG A 223 36.851 0.832 8.796 1.00 0.00 C ATOM 283 NE ARG A 223 36.556 1.427 7.498 1.00 0.00 N ATOM 284 CZ ARG A 223 37.097 2.586 7.137 1.00 0.00 C ATOM 285 NH1 ARG A 223 37.910 3.208 7.947 1.00 0.00 N ATOM 286 NH2 ARG A 223 36.817 3.102 5.970 1.00 0.00 N ATOM 0 H ARG A 223 37.772 -3.406 6.616 1.00 0.00 H new ATOM 0 HA ARG A 223 36.482 -3.237 9.095 1.00 0.00 H new ATOM 0 HB2 ARG A 223 37.976 -1.501 8.058 1.00 0.00 H new ATOM 0 HB3 ARG A 223 36.729 -1.147 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 223 35.151 -0.500 8.690 1.00 0.00 H new ATOM 0 HG3 ARG A 223 36.328 -0.946 9.909 1.00 0.00 H new ATOM 0 HD2 ARG A 223 36.469 1.471 9.592 1.00 0.00 H new ATOM 0 HD3 ARG A 223 37.930 0.760 8.935 1.00 0.00 H new ATOM 0 HE ARG A 223 35.925 0.946 6.857 1.00 0.00 H new ATOM 0 HH11 ARG A 223 38.130 2.805 8.858 1.00 0.00 H new ATOM 0 HH12 ARG A 223 38.325 4.097 7.669 1.00 0.00 H new ATOM 0 HH21 ARG A 223 36.183 2.615 5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 223 37.232 3.992 5.693 1.00 0.00 H new ATOM 300 N GLU A 224 34.514 -2.947 6.464 1.00 0.00 N ATOM 301 CA GLU A 224 33.117 -2.947 6.046 1.00 0.00 C ATOM 302 C GLU A 224 32.385 -4.157 6.619 1.00 0.00 C ATOM 303 O GLU A 224 31.212 -4.069 6.983 1.00 0.00 O ATOM 304 CB GLU A 224 33.032 -2.976 4.518 1.00 0.00 C ATOM 305 CG GLU A 224 33.541 -1.648 3.953 1.00 0.00 C ATOM 306 CD GLU A 224 33.561 -1.701 2.429 1.00 0.00 C ATOM 307 OE1 GLU A 224 33.154 -2.715 1.887 1.00 0.00 O ATOM 308 OE2 GLU A 224 33.984 -0.729 1.828 1.00 0.00 O ATOM 0 H GLU A 224 35.188 -2.975 5.699 1.00 0.00 H new ATOM 0 HA GLU A 224 32.644 -2.039 6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 224 33.626 -3.802 4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 224 32.002 -3.146 4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 224 32.901 -0.832 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 224 34.543 -1.443 4.331 1.00 0.00 H new ATOM 315 N TYR A 225 33.086 -5.283 6.699 1.00 0.00 N ATOM 316 CA TYR A 225 32.496 -6.506 7.229 1.00 0.00 C ATOM 317 C TYR A 225 32.097 -6.322 8.691 1.00 0.00 C ATOM 318 O TYR A 225 31.066 -6.827 9.132 1.00 0.00 O ATOM 319 CB TYR A 225 33.490 -7.662 7.112 1.00 0.00 C ATOM 320 CG TYR A 225 32.861 -8.924 7.650 1.00 0.00 C ATOM 321 CD1 TYR A 225 31.970 -9.653 6.855 1.00 0.00 C ATOM 322 CD2 TYR A 225 33.166 -9.365 8.943 1.00 0.00 C ATOM 323 CE1 TYR A 225 31.385 -10.824 7.352 1.00 0.00 C ATOM 324 CE2 TYR A 225 32.583 -10.534 9.440 1.00 0.00 C ATOM 325 CZ TYR A 225 31.692 -11.265 8.645 1.00 0.00 C ATOM 326 OH TYR A 225 31.116 -12.418 9.136 1.00 0.00 O ATOM 0 H TYR A 225 34.059 -5.374 6.405 1.00 0.00 H new ATOM 0 HA TYR A 225 31.603 -6.735 6.647 1.00 0.00 H new ATOM 0 HB2 TYR A 225 33.779 -7.803 6.071 1.00 0.00 H new ATOM 0 HB3 TYR A 225 34.399 -7.431 7.667 1.00 0.00 H new ATOM 0 HD1 TYR A 225 31.733 -9.312 5.858 1.00 0.00 H new ATOM 0 HD2 TYR A 225 33.853 -8.801 9.557 1.00 0.00 H new ATOM 0 HE1 TYR A 225 30.697 -11.387 6.738 1.00 0.00 H new ATOM 0 HE2 TYR A 225 32.820 -10.874 10.438 1.00 0.00 H new ATOM 0 HH TYR A 225 31.437 -12.582 10.047 1.00 0.00 H new ATOM 336 N LYS A 226 32.920 -5.596 9.437 1.00 0.00 N ATOM 337 CA LYS A 226 32.644 -5.356 10.849 1.00 0.00 C ATOM 338 C LYS A 226 31.340 -4.580 11.009 1.00 0.00 C ATOM 339 O LYS A 226 30.626 -4.749 11.996 1.00 0.00 O ATOM 340 CB LYS A 226 33.787 -4.562 11.477 1.00 0.00 C ATOM 341 CG LYS A 226 33.570 -4.460 12.992 1.00 0.00 C ATOM 342 CD LYS A 226 34.680 -3.606 13.619 1.00 0.00 C ATOM 343 CE LYS A 226 35.974 -4.418 13.731 1.00 0.00 C ATOM 344 NZ LYS A 226 36.954 -3.673 14.565 1.00 0.00 N ATOM 0 H LYS A 226 33.778 -5.166 9.092 1.00 0.00 H new ATOM 0 HA LYS A 226 32.551 -6.318 11.352 1.00 0.00 H new ATOM 0 HB2 LYS A 226 34.740 -5.049 11.268 1.00 0.00 H new ATOM 0 HB3 LYS A 226 33.835 -3.565 11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 226 32.596 -4.017 13.200 1.00 0.00 H new ATOM 0 HG3 LYS A 226 33.569 -5.455 13.436 1.00 0.00 H new ATOM 0 HD2 LYS A 226 34.851 -2.717 13.012 1.00 0.00 H new ATOM 0 HD3 LYS A 226 34.371 -3.263 14.606 1.00 0.00 H new ATOM 0 HE2 LYS A 226 35.768 -5.392 14.175 1.00 0.00 H new ATOM 0 HE3 LYS A 226 36.388 -4.601 12.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 37.833 -4.223 14.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 37.158 -2.754 14.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 36.557 -3.520 15.514 1.00 0.00 H new ATOM 358 N GLU A 227 31.037 -3.726 10.041 1.00 0.00 N ATOM 359 CA GLU A 227 29.814 -2.935 10.098 1.00 0.00 C ATOM 360 C GLU A 227 28.604 -3.847 9.909 1.00 0.00 C ATOM 361 O GLU A 227 27.458 -3.428 10.071 1.00 0.00 O ATOM 362 CB GLU A 227 29.834 -1.859 9.008 1.00 0.00 C ATOM 363 CG GLU A 227 28.675 -0.882 9.226 1.00 0.00 C ATOM 364 CD GLU A 227 28.780 0.283 8.253 1.00 0.00 C ATOM 365 OE1 GLU A 227 29.838 0.444 7.666 1.00 0.00 O ATOM 366 OE2 GLU A 227 27.802 0.994 8.107 1.00 0.00 O ATOM 0 H GLU A 227 31.613 -3.564 9.215 1.00 0.00 H new ATOM 0 HA GLU A 227 29.748 -2.448 11.071 1.00 0.00 H new ATOM 0 HB2 GLU A 227 30.783 -1.323 9.030 1.00 0.00 H new ATOM 0 HB3 GLU A 227 29.752 -2.322 8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 227 27.724 -1.397 9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 227 28.690 -0.512 10.251 1.00 0.00 H new ATOM 373 N MET A 228 28.869 -5.103 9.573 1.00 0.00 N ATOM 374 CA MET A 228 27.799 -6.069 9.367 1.00 0.00 C ATOM 375 C MET A 228 26.959 -6.208 10.631 1.00 0.00 C ATOM 376 O MET A 228 25.730 -6.182 10.577 1.00 0.00 O ATOM 377 CB MET A 228 28.395 -7.428 8.995 1.00 0.00 C ATOM 378 CG MET A 228 27.270 -8.434 8.752 1.00 0.00 C ATOM 379 SD MET A 228 27.974 -10.001 8.177 1.00 0.00 S ATOM 380 CE MET A 228 26.420 -10.927 8.099 1.00 0.00 C ATOM 0 H MET A 228 29.809 -5.474 9.438 1.00 0.00 H new ATOM 0 HA MET A 228 27.161 -5.717 8.557 1.00 0.00 H new ATOM 0 HB2 MET A 228 29.011 -7.333 8.101 1.00 0.00 H new ATOM 0 HB3 MET A 228 29.046 -7.782 9.794 1.00 0.00 H new ATOM 0 HG2 MET A 228 26.705 -8.592 9.670 1.00 0.00 H new ATOM 0 HG3 MET A 228 26.572 -8.043 8.012 1.00 0.00 H new ATOM 0 HE1 MET A 228 26.619 -11.944 7.760 1.00 0.00 H new ATOM 0 HE2 MET A 228 25.964 -10.957 9.089 1.00 0.00 H new ATOM 0 HE3 MET A 228 25.740 -10.439 7.401 1.00 0.00 H new ATOM 390 N GLU A 229 27.632 -6.342 11.767 1.00 0.00 N ATOM 391 CA GLU A 229 26.938 -6.470 13.042 1.00 0.00 C ATOM 392 C GLU A 229 26.310 -5.135 13.428 1.00 0.00 C ATOM 393 O GLU A 229 25.474 -5.066 14.329 1.00 0.00 O ATOM 394 CB GLU A 229 27.917 -6.921 14.132 1.00 0.00 C ATOM 395 CG GLU A 229 29.251 -6.198 13.949 1.00 0.00 C ATOM 396 CD GLU A 229 30.110 -6.362 15.196 1.00 0.00 C ATOM 397 OE1 GLU A 229 29.602 -6.877 16.178 1.00 0.00 O ATOM 398 OE2 GLU A 229 31.266 -5.973 15.150 1.00 0.00 O ATOM 0 H GLU A 229 28.650 -6.365 11.832 1.00 0.00 H new ATOM 0 HA GLU A 229 26.152 -7.218 12.942 1.00 0.00 H new ATOM 0 HB2 GLU A 229 27.506 -6.704 15.118 1.00 0.00 H new ATOM 0 HB3 GLU A 229 28.065 -8.000 14.079 1.00 0.00 H new ATOM 0 HG2 GLU A 229 29.775 -6.599 13.082 1.00 0.00 H new ATOM 0 HG3 GLU A 229 29.076 -5.140 13.755 1.00 0.00 H new ATOM 405 N GLY A 230 26.724 -4.077 12.739 1.00 0.00 N ATOM 406 CA GLY A 230 26.206 -2.743 13.014 1.00 0.00 C ATOM 407 C GLY A 230 26.956 -2.105 14.175 1.00 0.00 C ATOM 408 O GLY A 230 26.512 -1.105 14.741 1.00 0.00 O ATOM 0 H GLY A 230 27.414 -4.117 11.989 1.00 0.00 H new ATOM 0 HA2 GLY A 230 26.302 -2.119 12.125 1.00 0.00 H new ATOM 0 HA3 GLY A 230 25.143 -2.801 13.249 1.00 0.00 H new ATOM 437 N GLU A 233 26.778 -1.650 20.682 1.00 0.00 N ATOM 438 CA GLU A 233 27.186 -0.701 21.712 1.00 0.00 C ATOM 439 C GLU A 233 28.119 -1.366 22.722 1.00 0.00 C ATOM 440 O GLU A 233 28.702 -0.696 23.573 1.00 0.00 O ATOM 441 CB GLU A 233 25.957 -0.153 22.436 1.00 0.00 C ATOM 442 CG GLU A 233 25.144 0.715 21.474 1.00 0.00 C ATOM 443 CD GLU A 233 23.869 1.195 22.158 1.00 0.00 C ATOM 444 OE1 GLU A 233 23.665 0.837 23.306 1.00 0.00 O ATOM 445 OE2 GLU A 233 23.116 1.915 21.522 1.00 0.00 O ATOM 0 HA GLU A 233 27.719 0.118 21.229 1.00 0.00 H new ATOM 0 HB2 GLU A 233 25.344 -0.974 22.808 1.00 0.00 H new ATOM 0 HB3 GLU A 233 26.263 0.434 23.302 1.00 0.00 H new ATOM 0 HG2 GLU A 233 25.738 1.570 21.152 1.00 0.00 H new ATOM 0 HG3 GLU A 233 24.894 0.145 20.579 1.00 0.00 H new ATOM 452 N ILE A 234 28.250 -2.685 22.632 1.00 0.00 N ATOM 453 CA ILE A 234 29.111 -3.420 23.553 1.00 0.00 C ATOM 454 C ILE A 234 30.567 -2.985 23.396 1.00 0.00 C ATOM 455 O ILE A 234 31.278 -2.791 24.381 1.00 0.00 O ATOM 456 CB ILE A 234 28.997 -4.924 23.289 1.00 0.00 C ATOM 457 CG1 ILE A 234 27.591 -5.401 23.658 1.00 0.00 C ATOM 458 CG2 ILE A 234 30.027 -5.676 24.141 1.00 0.00 C ATOM 459 CD1 ILE A 234 27.373 -6.813 23.113 1.00 0.00 C ATOM 0 H ILE A 234 27.776 -3.263 21.938 1.00 0.00 H new ATOM 0 HA ILE A 234 28.787 -3.202 24.571 1.00 0.00 H new ATOM 0 HB ILE A 234 29.185 -5.120 22.233 1.00 0.00 H new ATOM 0 HG12 ILE A 234 27.465 -5.394 24.741 1.00 0.00 H new ATOM 0 HG13 ILE A 234 26.845 -4.721 23.246 1.00 0.00 H new ATOM 0 HG21 ILE A 234 29.944 -6.746 23.952 1.00 0.00 H new ATOM 0 HG22 ILE A 234 31.030 -5.338 23.881 1.00 0.00 H new ATOM 0 HG23 ILE A 234 29.840 -5.479 25.197 1.00 0.00 H new ATOM 0 HD11 ILE A 234 26.371 -7.154 23.375 1.00 0.00 H new ATOM 0 HD12 ILE A 234 27.481 -6.805 22.028 1.00 0.00 H new ATOM 0 HD13 ILE A 234 28.111 -7.488 23.546 1.00 0.00 H new ATOM 471 N LYS A 235 31.004 -2.841 22.149 1.00 0.00 N ATOM 472 CA LYS A 235 32.376 -2.438 21.872 1.00 0.00 C ATOM 473 C LYS A 235 32.620 -0.999 22.312 1.00 0.00 C ATOM 474 O LYS A 235 33.752 -0.516 22.292 1.00 0.00 O ATOM 475 CB LYS A 235 32.672 -2.575 20.377 1.00 0.00 C ATOM 476 CG LYS A 235 32.671 -4.055 19.989 1.00 0.00 C ATOM 477 CD LYS A 235 33.005 -4.193 18.502 1.00 0.00 C ATOM 478 CE LYS A 235 33.031 -5.673 18.120 1.00 0.00 C ATOM 479 NZ LYS A 235 33.374 -5.806 16.674 1.00 0.00 N ATOM 0 H LYS A 235 30.431 -2.997 21.320 1.00 0.00 H new ATOM 0 HA LYS A 235 33.042 -3.092 22.436 1.00 0.00 H new ATOM 0 HB2 LYS A 235 31.924 -2.036 19.797 1.00 0.00 H new ATOM 0 HB3 LYS A 235 33.639 -2.128 20.145 1.00 0.00 H new ATOM 0 HG2 LYS A 235 33.400 -4.600 20.589 1.00 0.00 H new ATOM 0 HG3 LYS A 235 31.696 -4.496 20.196 1.00 0.00 H new ATOM 0 HD2 LYS A 235 32.264 -3.665 17.902 1.00 0.00 H new ATOM 0 HD3 LYS A 235 33.972 -3.735 18.292 1.00 0.00 H new ATOM 0 HE2 LYS A 235 33.763 -6.204 18.729 1.00 0.00 H new ATOM 0 HE3 LYS A 235 32.061 -6.128 18.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 32.543 -6.147 16.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 33.664 -4.880 16.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 34.155 -6.484 16.563 1.00 0.00 H new ATOM 493 N SER A 236 31.552 -0.320 22.711 1.00 0.00 N ATOM 494 CA SER A 236 31.659 1.064 23.155 1.00 0.00 C ATOM 495 C SER A 236 32.500 1.154 24.425 1.00 0.00 C ATOM 496 O SER A 236 33.102 2.188 24.709 1.00 0.00 O ATOM 497 CB SER A 236 30.267 1.638 23.423 1.00 0.00 C ATOM 498 OG SER A 236 29.417 1.332 22.326 1.00 0.00 O ATOM 0 H SER A 236 30.607 -0.702 22.736 1.00 0.00 H new ATOM 0 HA SER A 236 32.143 1.641 22.368 1.00 0.00 H new ATOM 0 HB2 SER A 236 29.859 1.219 24.343 1.00 0.00 H new ATOM 0 HB3 SER A 236 30.326 2.717 23.563 1.00 0.00 H new ATOM 0 HG SER A 236 28.523 1.696 22.494 1.00 0.00 H new ATOM 504 N LYS A 237 32.532 0.066 25.187 1.00 0.00 N ATOM 505 CA LYS A 237 33.300 0.040 26.425 1.00 0.00 C ATOM 506 C LYS A 237 34.781 0.257 26.139 1.00 0.00 C ATOM 507 O LYS A 237 35.461 0.988 26.861 1.00 0.00 O ATOM 508 CB LYS A 237 33.113 -1.302 27.128 1.00 0.00 C ATOM 509 CG LYS A 237 31.673 -1.418 27.636 1.00 0.00 C ATOM 510 CD LYS A 237 31.446 -2.813 28.233 1.00 0.00 C ATOM 511 CE LYS A 237 32.098 -2.904 29.617 1.00 0.00 C ATOM 512 NZ LYS A 237 31.655 -4.153 30.292 1.00 0.00 N ATOM 0 H LYS A 237 32.040 -0.801 24.972 1.00 0.00 H new ATOM 0 HA LYS A 237 32.940 0.843 27.069 1.00 0.00 H new ATOM 0 HB2 LYS A 237 33.334 -2.118 26.440 1.00 0.00 H new ATOM 0 HB3 LYS A 237 33.811 -1.389 27.960 1.00 0.00 H new ATOM 0 HG2 LYS A 237 31.480 -0.654 28.389 1.00 0.00 H new ATOM 0 HG3 LYS A 237 30.974 -1.244 26.818 1.00 0.00 H new ATOM 0 HD2 LYS A 237 30.378 -3.014 28.311 1.00 0.00 H new ATOM 0 HD3 LYS A 237 31.866 -3.572 27.574 1.00 0.00 H new ATOM 0 HE2 LYS A 237 33.184 -2.895 29.521 1.00 0.00 H new ATOM 0 HE3 LYS A 237 31.824 -2.037 30.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 32.097 -4.216 31.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 30.620 -4.143 30.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 31.937 -4.975 29.721 1.00 0.00 H new ATOM 526 N ARG A 238 35.276 -0.379 25.083 1.00 0.00 N ATOM 527 CA ARG A 238 36.679 -0.242 24.714 1.00 0.00 C ATOM 528 C ARG A 238 36.976 1.196 24.305 1.00 0.00 C ATOM 529 O ARG A 238 38.037 1.737 24.616 1.00 0.00 O ATOM 530 CB ARG A 238 37.013 -1.187 23.558 1.00 0.00 C ATOM 531 CG ARG A 238 37.009 -2.630 24.064 1.00 0.00 C ATOM 532 CD ARG A 238 37.331 -3.576 22.907 1.00 0.00 C ATOM 533 NE ARG A 238 37.305 -4.962 23.367 1.00 0.00 N ATOM 534 CZ ARG A 238 38.377 -5.527 23.915 1.00 0.00 C ATOM 535 NH1 ARG A 238 39.479 -4.841 24.052 1.00 0.00 N ATOM 536 NH2 ARG A 238 38.326 -6.767 24.318 1.00 0.00 N ATOM 0 H ARG A 238 34.732 -0.989 24.473 1.00 0.00 H new ATOM 0 HA ARG A 238 37.294 -0.501 25.576 1.00 0.00 H new ATOM 0 HB2 ARG A 238 36.285 -1.069 22.756 1.00 0.00 H new ATOM 0 HB3 ARG A 238 37.989 -0.939 23.141 1.00 0.00 H new ATOM 0 HG2 ARG A 238 37.743 -2.749 24.861 1.00 0.00 H new ATOM 0 HG3 ARG A 238 36.035 -2.875 24.488 1.00 0.00 H new ATOM 0 HD2 ARG A 238 36.608 -3.438 22.103 1.00 0.00 H new ATOM 0 HD3 ARG A 238 38.313 -3.340 22.497 1.00 0.00 H new ATOM 0 HE ARG A 238 36.449 -5.507 23.266 1.00 0.00 H new ATOM 0 HH11 ARG A 238 39.518 -3.871 23.739 1.00 0.00 H new ATOM 0 HH12 ARG A 238 40.301 -5.275 24.472 1.00 0.00 H new ATOM 0 HH21 ARG A 238 37.464 -7.302 24.213 1.00 0.00 H new ATOM 0 HH22 ARG A 238 39.148 -7.201 24.738 1.00 0.00 H new ATOM 550 N ARG A 239 36.027 1.810 23.609 1.00 0.00 N ATOM 551 CA ARG A 239 36.186 3.187 23.162 1.00 0.00 C ATOM 552 C ARG A 239 36.352 4.119 24.353 1.00 0.00 C ATOM 553 O ARG A 239 36.934 5.197 24.234 1.00 0.00 O ATOM 554 CB ARG A 239 34.965 3.610 22.341 1.00 0.00 C ATOM 555 CG ARG A 239 34.972 2.890 20.979 1.00 0.00 C ATOM 556 CD ARG A 239 35.792 3.697 19.967 1.00 0.00 C ATOM 557 NE ARG A 239 35.169 4.997 19.750 1.00 0.00 N ATOM 558 CZ ARG A 239 35.698 5.878 18.909 1.00 0.00 C ATOM 559 NH1 ARG A 239 36.794 5.587 18.266 1.00 0.00 N ATOM 560 NH2 ARG A 239 35.123 7.036 18.730 1.00 0.00 N ATOM 0 H ARG A 239 35.142 1.377 23.343 1.00 0.00 H new ATOM 0 HA ARG A 239 37.080 3.250 22.542 1.00 0.00 H new ATOM 0 HB2 ARG A 239 34.051 3.370 22.884 1.00 0.00 H new ATOM 0 HB3 ARG A 239 34.973 4.690 22.191 1.00 0.00 H new ATOM 0 HG2 ARG A 239 35.394 1.891 21.088 1.00 0.00 H new ATOM 0 HG3 ARG A 239 33.951 2.767 20.618 1.00 0.00 H new ATOM 0 HD2 ARG A 239 36.810 3.828 20.333 1.00 0.00 H new ATOM 0 HD3 ARG A 239 35.859 3.154 19.024 1.00 0.00 H new ATOM 0 HE ARG A 239 34.313 5.234 20.252 1.00 0.00 H new ATOM 0 HH11 ARG A 239 37.245 4.683 18.409 1.00 0.00 H new ATOM 0 HH12 ARG A 239 37.201 6.263 17.620 1.00 0.00 H new ATOM 0 HH21 ARG A 239 34.267 7.264 19.236 1.00 0.00 H new ATOM 0 HH22 ARG A 239 35.529 7.713 18.084 1.00 0.00 H new ATOM 574 N GLN A 240 35.834 3.695 25.497 1.00 0.00 N ATOM 575 CA GLN A 240 35.925 4.504 26.705 1.00 0.00 C ATOM 576 C GLN A 240 37.374 4.896 26.977 1.00 0.00 C ATOM 577 O GLN A 240 37.659 6.030 27.364 1.00 0.00 O ATOM 578 CB GLN A 240 35.369 3.716 27.902 1.00 0.00 C ATOM 579 CG GLN A 240 34.920 4.688 28.997 1.00 0.00 C ATOM 580 CD GLN A 240 36.107 5.520 29.471 1.00 0.00 C ATOM 581 OE1 GLN A 240 37.137 4.970 29.862 1.00 0.00 O ATOM 582 NE2 GLN A 240 36.026 6.823 29.455 1.00 0.00 N ATOM 0 H GLN A 240 35.351 2.804 25.615 1.00 0.00 H new ATOM 0 HA GLN A 240 35.337 5.411 26.562 1.00 0.00 H new ATOM 0 HB2 GLN A 240 34.529 3.098 27.584 1.00 0.00 H new ATOM 0 HB3 GLN A 240 36.132 3.042 28.291 1.00 0.00 H new ATOM 0 HG2 GLN A 240 34.136 5.342 28.616 1.00 0.00 H new ATOM 0 HG3 GLN A 240 34.495 4.135 29.834 1.00 0.00 H new ATOM 0 HE21 GLN A 240 35.172 7.277 29.131 1.00 0.00 H new ATOM 0 HE22 GLN A 240 36.817 7.387 29.767 1.00 0.00 H new ATOM 591 N PHE A 241 38.286 3.953 26.769 1.00 0.00 N ATOM 592 CA PHE A 241 39.702 4.214 26.996 1.00 0.00 C ATOM 593 C PHE A 241 40.211 5.266 26.016 1.00 0.00 C ATOM 594 O PHE A 241 41.035 6.110 26.369 1.00 0.00 O ATOM 595 CB PHE A 241 40.506 2.923 26.826 1.00 0.00 C ATOM 596 CG PHE A 241 40.174 1.969 27.948 1.00 0.00 C ATOM 597 CD1 PHE A 241 40.847 2.066 29.171 1.00 0.00 C ATOM 598 CD2 PHE A 241 39.194 0.987 27.763 1.00 0.00 C ATOM 599 CE1 PHE A 241 40.540 1.179 30.211 1.00 0.00 C ATOM 600 CE2 PHE A 241 38.887 0.100 28.803 1.00 0.00 C ATOM 601 CZ PHE A 241 39.560 0.197 30.026 1.00 0.00 C ATOM 0 H PHE A 241 38.073 3.009 26.446 1.00 0.00 H new ATOM 0 HA PHE A 241 39.828 4.586 28.013 1.00 0.00 H new ATOM 0 HB2 PHE A 241 40.277 2.464 25.865 1.00 0.00 H new ATOM 0 HB3 PHE A 241 41.573 3.144 26.827 1.00 0.00 H new ATOM 0 HD1 PHE A 241 41.603 2.824 29.313 1.00 0.00 H new ATOM 0 HD2 PHE A 241 38.675 0.913 26.819 1.00 0.00 H new ATOM 0 HE1 PHE A 241 41.059 1.253 31.155 1.00 0.00 H new ATOM 0 HE2 PHE A 241 38.131 -0.658 28.661 1.00 0.00 H new ATOM 0 HZ PHE A 241 39.323 -0.487 30.828 1.00 0.00 H new ATOM 611 N HIS A 242 39.711 5.210 24.787 1.00 0.00 N ATOM 612 CA HIS A 242 40.118 6.163 23.762 1.00 0.00 C ATOM 613 C HIS A 242 39.757 7.585 24.181 1.00 0.00 C ATOM 614 O HIS A 242 40.276 8.556 23.630 1.00 0.00 O ATOM 615 CB HIS A 242 39.435 5.828 22.434 1.00 0.00 C ATOM 616 CG HIS A 242 40.037 6.659 21.335 1.00 0.00 C ATOM 617 ND1 HIS A 242 39.390 7.762 20.800 1.00 0.00 N ATOM 618 CD2 HIS A 242 41.229 6.562 20.659 1.00 0.00 C ATOM 619 CE1 HIS A 242 40.186 8.278 19.847 1.00 0.00 C ATOM 620 NE2 HIS A 242 41.319 7.585 19.720 1.00 0.00 N ATOM 0 H HIS A 242 39.027 4.519 24.478 1.00 0.00 H new ATOM 0 HA HIS A 242 41.199 6.096 23.638 1.00 0.00 H new ATOM 0 HB2 HIS A 242 39.554 4.768 22.209 1.00 0.00 H new ATOM 0 HB3 HIS A 242 38.365 6.021 22.505 1.00 0.00 H new ATOM 0 HD2 HIS A 242 41.982 5.807 20.830 1.00 0.00 H new ATOM 0 HE1 HIS A 242 39.938 9.148 19.256 1.00 0.00 H new ATOM 0 HE2 HIS A 242 42.087 7.766 19.073 1.00 0.00 H new ATOM 628 N GLN A 243 38.862 7.698 25.155 1.00 0.00 N ATOM 629 CA GLN A 243 38.435 9.005 25.635 1.00 0.00 C ATOM 630 C GLN A 243 39.594 9.733 26.307 1.00 0.00 C ATOM 631 O GLN A 243 39.708 10.955 26.213 1.00 0.00 O ATOM 632 CB GLN A 243 37.283 8.847 26.634 1.00 0.00 C ATOM 633 CG GLN A 243 36.701 10.221 26.977 1.00 0.00 C ATOM 634 CD GLN A 243 36.046 10.831 25.743 1.00 0.00 C ATOM 635 OE1 GLN A 243 35.401 10.123 24.969 1.00 0.00 O ATOM 636 NE2 GLN A 243 36.176 12.108 25.509 1.00 0.00 N ATOM 0 H GLN A 243 38.421 6.907 25.624 1.00 0.00 H new ATOM 0 HA GLN A 243 38.097 9.591 24.780 1.00 0.00 H new ATOM 0 HB2 GLN A 243 36.507 8.209 26.211 1.00 0.00 H new ATOM 0 HB3 GLN A 243 37.640 8.357 27.540 1.00 0.00 H new ATOM 0 HG2 GLN A 243 35.968 10.125 27.778 1.00 0.00 H new ATOM 0 HG3 GLN A 243 37.490 10.878 27.343 1.00 0.00 H new ATOM 0 HE21 GLN A 243 36.711 12.692 26.152 1.00 0.00 H new ATOM 0 HE22 GLN A 243 35.743 12.522 24.683 1.00 0.00 H new ATOM 645 N GLU A 244 40.450 8.978 26.987 1.00 0.00 N ATOM 646 CA GLU A 244 41.592 9.572 27.670 1.00 0.00 C ATOM 647 C GLU A 244 42.555 10.186 26.661 1.00 0.00 C ATOM 648 O GLU A 244 43.058 11.291 26.861 1.00 0.00 O ATOM 649 CB GLU A 244 42.321 8.506 28.493 1.00 0.00 C ATOM 650 CG GLU A 244 41.442 8.072 29.665 1.00 0.00 C ATOM 651 CD GLU A 244 42.126 6.955 30.446 1.00 0.00 C ATOM 652 OE1 GLU A 244 43.232 6.593 30.077 1.00 0.00 O ATOM 653 OE2 GLU A 244 41.534 6.477 31.400 1.00 0.00 O ATOM 0 H GLU A 244 40.376 7.965 27.079 1.00 0.00 H new ATOM 0 HA GLU A 244 41.229 10.356 28.334 1.00 0.00 H new ATOM 0 HB2 GLU A 244 42.558 7.647 27.865 1.00 0.00 H new ATOM 0 HB3 GLU A 244 43.267 8.901 28.862 1.00 0.00 H new ATOM 0 HG2 GLU A 244 41.251 8.921 30.321 1.00 0.00 H new ATOM 0 HG3 GLU A 244 40.475 7.730 29.297 1.00 0.00 H new ATOM 660 N ILE A 245 42.802 9.466 25.571 1.00 0.00 N ATOM 661 CA ILE A 245 43.702 9.957 24.533 1.00 0.00 C ATOM 662 C ILE A 245 43.105 11.186 23.856 1.00 0.00 C ATOM 663 O ILE A 245 43.796 12.176 23.618 1.00 0.00 O ATOM 664 CB ILE A 245 43.945 8.867 23.491 1.00 0.00 C ATOM 665 CG1 ILE A 245 44.470 7.608 24.186 1.00 0.00 C ATOM 666 CG2 ILE A 245 44.980 9.354 22.476 1.00 0.00 C ATOM 667 CD1 ILE A 245 44.480 6.444 23.195 1.00 0.00 C ATOM 0 H ILE A 245 42.396 8.549 25.384 1.00 0.00 H new ATOM 0 HA ILE A 245 44.650 10.230 24.996 1.00 0.00 H new ATOM 0 HB ILE A 245 43.011 8.639 22.978 1.00 0.00 H new ATOM 0 HG12 ILE A 245 45.476 7.783 24.567 1.00 0.00 H new ATOM 0 HG13 ILE A 245 43.842 7.364 25.043 1.00 0.00 H new ATOM 0 HG21 ILE A 245 45.154 8.577 21.732 1.00 0.00 H new ATOM 0 HG22 ILE A 245 44.610 10.253 21.982 1.00 0.00 H new ATOM 0 HG23 ILE A 245 45.914 9.580 22.989 1.00 0.00 H new ATOM 0 HD11 ILE A 245 44.854 5.548 23.690 1.00 0.00 H new ATOM 0 HD12 ILE A 245 43.467 6.264 22.835 1.00 0.00 H new ATOM 0 HD13 ILE A 245 45.126 6.689 22.352 1.00 0.00 H new ATOM 679 N GLN A 246 41.812 11.113 23.552 1.00 0.00 N ATOM 680 CA GLN A 246 41.122 12.221 22.905 1.00 0.00 C ATOM 681 C GLN A 246 41.149 13.454 23.804 1.00 0.00 C ATOM 682 O GLN A 246 41.059 14.584 23.327 1.00 0.00 O ATOM 683 CB GLN A 246 39.670 11.833 22.608 1.00 0.00 C ATOM 684 CG GLN A 246 38.984 12.963 21.838 1.00 0.00 C ATOM 685 CD GLN A 246 37.555 12.562 21.487 1.00 0.00 C ATOM 686 OE1 GLN A 246 37.227 11.377 21.478 1.00 0.00 O ATOM 687 NE2 GLN A 246 36.681 13.488 21.200 1.00 0.00 N ATOM 0 H GLN A 246 41.225 10.301 23.743 1.00 0.00 H new ATOM 0 HA GLN A 246 41.631 12.451 21.969 1.00 0.00 H new ATOM 0 HB2 GLN A 246 39.641 10.912 22.025 1.00 0.00 H new ATOM 0 HB3 GLN A 246 39.137 11.638 23.539 1.00 0.00 H new ATOM 0 HG2 GLN A 246 38.978 13.872 22.439 1.00 0.00 H new ATOM 0 HG3 GLN A 246 39.542 13.185 20.928 1.00 0.00 H new ATOM 0 HE21 GLN A 246 36.957 14.470 21.209 1.00 0.00 H new ATOM 0 HE22 GLN A 246 35.722 13.230 20.967 1.00 0.00 H new ATOM 696 N SER A 247 41.274 13.222 25.105 1.00 0.00 N ATOM 697 CA SER A 247 41.311 14.317 26.066 1.00 0.00 C ATOM 698 C SER A 247 42.547 15.182 25.837 1.00 0.00 C ATOM 699 O SER A 247 42.601 16.331 26.277 1.00 0.00 O ATOM 700 CB SER A 247 41.331 13.758 27.490 1.00 0.00 C ATOM 701 OG SER A 247 40.972 14.786 28.403 1.00 0.00 O ATOM 0 H SER A 247 41.351 12.292 25.517 1.00 0.00 H new ATOM 0 HA SER A 247 40.420 14.931 25.931 1.00 0.00 H new ATOM 0 HB2 SER A 247 40.637 12.922 27.575 1.00 0.00 H new ATOM 0 HB3 SER A 247 42.323 13.374 27.728 1.00 0.00 H new ATOM 0 HG SER A 247 40.982 14.431 29.316 1.00 0.00 H new ATOM 707 N ARG A 248 43.536 14.623 25.149 1.00 0.00 N ATOM 708 CA ARG A 248 44.765 15.354 24.872 1.00 0.00 C ATOM 709 C ARG A 248 44.534 16.388 23.770 1.00 0.00 C ATOM 710 O ARG A 248 45.436 16.693 22.991 1.00 0.00 O ATOM 711 CB ARG A 248 45.874 14.380 24.447 1.00 0.00 C ATOM 712 CG ARG A 248 47.244 15.015 24.701 1.00 0.00 C ATOM 713 CD ARG A 248 48.338 14.116 24.130 1.00 0.00 C ATOM 714 NE ARG A 248 48.403 12.866 24.878 1.00 0.00 N ATOM 715 CZ ARG A 248 49.269 11.914 24.550 1.00 0.00 C ATOM 716 NH1 ARG A 248 50.081 12.092 23.545 1.00 0.00 N ATOM 717 NH2 ARG A 248 49.308 10.804 25.234 1.00 0.00 N ATOM 0 H ARG A 248 43.511 13.674 24.776 1.00 0.00 H new ATOM 0 HA ARG A 248 45.072 15.871 25.781 1.00 0.00 H new ATOM 0 HB2 ARG A 248 45.786 13.448 25.005 1.00 0.00 H new ATOM 0 HB3 ARG A 248 45.768 14.131 23.391 1.00 0.00 H new ATOM 0 HG2 ARG A 248 47.291 16.001 24.238 1.00 0.00 H new ATOM 0 HG3 ARG A 248 47.398 15.157 25.771 1.00 0.00 H new ATOM 0 HD2 ARG A 248 48.137 13.909 23.079 1.00 0.00 H new ATOM 0 HD3 ARG A 248 49.300 14.627 24.177 1.00 0.00 H new ATOM 0 HE ARG A 248 47.773 12.720 25.667 1.00 0.00 H new ATOM 0 HH11 ARG A 248 50.050 12.961 23.012 1.00 0.00 H new ATOM 0 HH12 ARG A 248 50.747 11.362 23.292 1.00 0.00 H new ATOM 0 HH21 ARG A 248 48.673 10.667 26.021 1.00 0.00 H new ATOM 0 HH22 ARG A 248 49.973 10.073 24.982 1.00 0.00 H new