USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 645 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 383 GLN : amide:sc= -2.95! K(o=-3!,f=-1.5) USER MOD Set 1.2: A 433 LYS NZ :NH3+ 157:sc= -0.0161 (180deg=-0.264) USER MOD Set 2.1: A 401 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 414 THR OG1 : rot 180:sc= -0.354 USER MOD Set 3.1: A 390 ASN : amide:sc= -1.9 K(o=-3.7,f=-6.3!) USER MOD Set 3.2: A 393 THR OG1 : rot 150:sc= -1.8 USER MOD Set 4.1: A 369 ASN : amide:sc= -4.01 K(o=-5,f=-13!) USER MOD Set 4.2: A 436 GLN : amide:sc= -0.945 K(o=-5,f=-4.4) USER MOD Single : A 361 SER OG : rot -25:sc= 0.314 USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 366 GLN : amide:sc= -0.0305 X(o=-0.03,f=0) USER MOD Single : A 371 SER OG : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot 180:sc= -0.733 USER MOD Single : A 382 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 CYS SG : rot 48:sc= 0.0454 USER MOD Single : A 388 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00574) USER MOD Single : A 389 MET CE :methyl 151:sc= -3.22! (180deg=-3.59!) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 395 GLN : amide:sc= -0.0748 X(o=-0.075,f=0) USER MOD Single : A 397 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 399 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 404 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 THR OG1 : rot -60:sc= -0.963 USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 410 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.638) USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD Single : A 417 TYR OH : rot 0:sc= 0.823 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00073) USER MOD Single : A 443 SER OG : rot 180:sc= -0.192 USER MOD ----------------------------------------------------------------- ATOM 168 N SER A 361 0.659 8.480 1.238 1.00 0.00 N ATOM 169 CA SER A 361 0.754 8.126 -0.174 1.00 0.00 C ATOM 170 C SER A 361 1.409 6.760 -0.349 1.00 0.00 C ATOM 171 O SER A 361 1.843 6.402 -1.444 1.00 0.00 O ATOM 172 CB SER A 361 1.551 9.188 -0.935 1.00 0.00 C ATOM 173 OG SER A 361 2.713 9.565 -0.217 1.00 0.00 O ATOM 0 HA SER A 361 -0.256 8.079 -0.580 1.00 0.00 H new ATOM 0 HB2 SER A 361 1.834 8.802 -1.914 1.00 0.00 H new ATOM 0 HB3 SER A 361 0.925 10.064 -1.106 1.00 0.00 H new ATOM 0 HG SER A 361 2.576 9.397 0.739 1.00 0.00 H new ATOM 179 N ALA A 362 1.477 5.999 0.739 1.00 0.00 N ATOM 180 CA ALA A 362 2.077 4.672 0.708 1.00 0.00 C ATOM 181 C ALA A 362 1.028 3.589 0.941 1.00 0.00 C ATOM 182 O ALA A 362 -0.055 3.863 1.459 1.00 0.00 O ATOM 183 CB ALA A 362 3.184 4.568 1.746 1.00 0.00 C ATOM 0 H ALA A 362 1.123 6.280 1.653 1.00 0.00 H new ATOM 0 HA ALA A 362 2.507 4.519 -0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 362 3.623 3.571 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 362 3.953 5.311 1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 362 2.770 4.748 2.738 1.00 0.00 H new ATOM 189 N ILE A 363 1.355 2.362 0.553 1.00 0.00 N ATOM 190 CA ILE A 363 0.440 1.239 0.720 1.00 0.00 C ATOM 191 C ILE A 363 1.148 0.042 1.347 1.00 0.00 C ATOM 192 O ILE A 363 2.323 -0.209 1.078 1.00 0.00 O ATOM 193 CB ILE A 363 -0.176 0.810 -0.624 1.00 0.00 C ATOM 194 CG1 ILE A 363 0.905 0.252 -1.551 1.00 0.00 C ATOM 195 CG2 ILE A 363 -0.888 1.984 -1.279 1.00 0.00 C ATOM 196 CD1 ILE A 363 0.352 -0.510 -2.735 1.00 0.00 C ATOM 0 H ILE A 363 2.246 2.119 0.121 1.00 0.00 H new ATOM 0 HA ILE A 363 -0.356 1.577 1.384 1.00 0.00 H new ATOM 0 HB ILE A 363 -0.908 0.024 -0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 363 1.521 1.075 -1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 363 1.558 -0.406 -0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 363 -1.318 1.665 -2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 363 -1.682 2.340 -0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 363 -0.175 2.789 -1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 363 1.175 -0.876 -3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 363 -0.240 -1.354 -2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 363 -0.278 0.150 -3.331 1.00 0.00 H new ATOM 208 N TYR A 364 0.425 -0.694 2.184 1.00 0.00 N ATOM 209 CA TYR A 364 0.983 -1.864 2.850 1.00 0.00 C ATOM 210 C TYR A 364 0.491 -3.151 2.195 1.00 0.00 C ATOM 211 O TYR A 364 -0.688 -3.495 2.282 1.00 0.00 O ATOM 212 CB TYR A 364 0.610 -1.860 4.333 1.00 0.00 C ATOM 213 CG TYR A 364 1.627 -2.548 5.216 1.00 0.00 C ATOM 214 CD1 TYR A 364 1.629 -3.930 5.359 1.00 0.00 C ATOM 215 CD2 TYR A 364 2.585 -1.817 5.906 1.00 0.00 C ATOM 216 CE1 TYR A 364 2.556 -4.563 6.165 1.00 0.00 C ATOM 217 CE2 TYR A 364 3.516 -2.440 6.712 1.00 0.00 C ATOM 218 CZ TYR A 364 3.498 -3.814 6.839 1.00 0.00 C ATOM 219 OH TYR A 364 4.423 -4.441 7.642 1.00 0.00 O ATOM 0 H TYR A 364 -0.549 -0.501 2.417 1.00 0.00 H new ATOM 0 HA TYR A 364 2.068 -1.820 2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 364 0.491 -0.829 4.666 1.00 0.00 H new ATOM 0 HB3 TYR A 364 -0.356 -2.349 4.457 1.00 0.00 H new ATOM 0 HD1 TYR A 364 0.894 -4.519 4.831 1.00 0.00 H new ATOM 0 HD2 TYR A 364 2.602 -0.741 5.810 1.00 0.00 H new ATOM 0 HE1 TYR A 364 2.543 -5.638 6.267 1.00 0.00 H new ATOM 0 HE2 TYR A 364 4.255 -1.855 7.240 1.00 0.00 H new ATOM 0 HH TYR A 364 5.015 -3.771 8.044 1.00 0.00 H new ATOM 229 N VAL A 365 1.404 -3.859 1.537 1.00 0.00 N ATOM 230 CA VAL A 365 1.064 -5.109 0.867 1.00 0.00 C ATOM 231 C VAL A 365 1.385 -6.310 1.750 1.00 0.00 C ATOM 232 O VAL A 365 2.410 -6.337 2.429 1.00 0.00 O ATOM 233 CB VAL A 365 1.817 -5.252 -0.469 1.00 0.00 C ATOM 234 CG1 VAL A 365 1.223 -6.379 -1.299 1.00 0.00 C ATOM 235 CG2 VAL A 365 1.790 -3.940 -1.239 1.00 0.00 C ATOM 0 H VAL A 365 2.384 -3.588 1.454 1.00 0.00 H new ATOM 0 HA VAL A 365 -0.008 -5.082 0.670 1.00 0.00 H new ATOM 0 HB VAL A 365 2.857 -5.500 -0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 365 1.768 -6.465 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 365 1.300 -7.316 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 365 0.174 -6.165 -1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 365 2.327 -4.059 -2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 365 0.757 -3.659 -1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 365 2.267 -3.160 -0.646 1.00 0.00 H new ATOM 245 N GLN A 366 0.501 -7.303 1.732 1.00 0.00 N ATOM 246 CA GLN A 366 0.690 -8.507 2.532 1.00 0.00 C ATOM 247 C GLN A 366 0.140 -9.733 1.808 1.00 0.00 C ATOM 248 O GLN A 366 -1.038 -9.781 1.458 1.00 0.00 O ATOM 249 CB GLN A 366 0.008 -8.354 3.892 1.00 0.00 C ATOM 250 CG GLN A 366 0.817 -7.542 4.891 1.00 0.00 C ATOM 251 CD GLN A 366 0.073 -7.305 6.190 1.00 0.00 C ATOM 252 OE1 GLN A 366 0.545 -7.678 7.265 1.00 0.00 O ATOM 253 NE2 GLN A 366 -1.096 -6.683 6.098 1.00 0.00 N ATOM 0 H GLN A 366 -0.352 -7.297 1.173 1.00 0.00 H new ATOM 0 HA GLN A 366 1.760 -8.647 2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 366 -0.962 -7.878 3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 366 -0.180 -9.344 4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 366 1.752 -8.060 5.102 1.00 0.00 H new ATOM 0 HG3 GLN A 366 1.078 -6.582 4.446 1.00 0.00 H new ATOM 0 HE21 GLN A 366 -1.448 -6.392 5.186 1.00 0.00 H new ATOM 0 HE22 GLN A 366 -1.642 -6.496 6.939 1.00 0.00 H new ATOM 262 N GLY A 367 1.003 -10.720 1.589 1.00 0.00 N ATOM 263 CA GLY A 367 0.584 -11.932 0.908 1.00 0.00 C ATOM 264 C GLY A 367 1.503 -12.299 -0.241 1.00 0.00 C ATOM 265 O GLY A 367 1.133 -13.081 -1.116 1.00 0.00 O ATOM 0 H GLY A 367 1.983 -10.703 1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 367 0.554 -12.755 1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 367 -0.430 -11.801 0.530 1.00 0.00 H new ATOM 269 N LEU A 368 2.704 -11.732 -0.239 1.00 0.00 N ATOM 270 CA LEU A 368 3.679 -12.001 -1.291 1.00 0.00 C ATOM 271 C LEU A 368 4.356 -13.350 -1.072 1.00 0.00 C ATOM 272 O LEU A 368 4.465 -13.826 0.058 1.00 0.00 O ATOM 273 CB LEU A 368 4.730 -10.891 -1.335 1.00 0.00 C ATOM 274 CG LEU A 368 4.225 -9.504 -1.734 1.00 0.00 C ATOM 275 CD1 LEU A 368 5.302 -8.456 -1.498 1.00 0.00 C ATOM 276 CD2 LEU A 368 3.781 -9.497 -3.190 1.00 0.00 C ATOM 0 H LEU A 368 3.027 -11.083 0.479 1.00 0.00 H new ATOM 0 HA LEU A 368 3.151 -12.030 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 368 5.193 -10.818 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 368 5.512 -11.186 -2.035 1.00 0.00 H new ATOM 0 HG LEU A 368 3.365 -9.258 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 368 4.925 -7.475 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 368 5.572 -8.444 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 368 6.181 -8.697 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 368 3.425 -8.502 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 368 4.623 -9.764 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 368 2.977 -10.220 -3.329 1.00 0.00 H new ATOM 288 N ASN A 369 4.813 -13.960 -2.160 1.00 0.00 N ATOM 289 CA ASN A 369 5.482 -15.254 -2.087 1.00 0.00 C ATOM 290 C ASN A 369 6.908 -15.101 -1.568 1.00 0.00 C ATOM 291 O ASN A 369 7.353 -13.994 -1.265 1.00 0.00 O ATOM 292 CB ASN A 369 5.497 -15.923 -3.463 1.00 0.00 C ATOM 293 CG ASN A 369 6.039 -15.008 -4.545 1.00 0.00 C ATOM 294 OD1 ASN A 369 7.245 -14.778 -4.631 1.00 0.00 O ATOM 295 ND2 ASN A 369 5.146 -14.479 -5.374 1.00 0.00 N ATOM 0 H ASN A 369 4.733 -13.579 -3.103 1.00 0.00 H new ATOM 0 HA ASN A 369 4.927 -15.883 -1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 369 6.104 -16.827 -3.418 1.00 0.00 H new ATOM 0 HB3 ASN A 369 4.485 -16.231 -3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 369 5.450 -13.854 -6.120 1.00 0.00 H new ATOM 0 HD22 ASN A 369 4.156 -14.698 -5.265 1.00 0.00 H new ATOM 302 N ASP A 370 7.619 -16.219 -1.469 1.00 0.00 N ATOM 303 CA ASP A 370 8.996 -16.209 -0.989 1.00 0.00 C ATOM 304 C ASP A 370 9.972 -16.000 -2.141 1.00 0.00 C ATOM 305 O ASP A 370 11.188 -16.027 -1.951 1.00 0.00 O ATOM 306 CB ASP A 370 9.314 -17.517 -0.263 1.00 0.00 C ATOM 307 CG ASP A 370 8.667 -18.718 -0.925 1.00 0.00 C ATOM 308 OD1 ASP A 370 7.480 -18.982 -0.641 1.00 0.00 O ATOM 309 OD2 ASP A 370 9.347 -19.393 -1.725 1.00 0.00 O ATOM 0 H ASP A 370 7.265 -17.143 -1.715 1.00 0.00 H new ATOM 0 HA ASP A 370 9.106 -15.379 -0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 370 10.394 -17.660 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 370 8.974 -17.448 0.770 1.00 0.00 H new ATOM 314 N SER A 371 9.432 -15.793 -3.338 1.00 0.00 N ATOM 315 CA SER A 371 10.255 -15.585 -4.524 1.00 0.00 C ATOM 316 C SER A 371 9.983 -14.216 -5.140 1.00 0.00 C ATOM 317 O SER A 371 10.347 -13.955 -6.287 1.00 0.00 O ATOM 318 CB SER A 371 9.989 -16.683 -5.555 1.00 0.00 C ATOM 319 OG SER A 371 10.651 -17.885 -5.202 1.00 0.00 O ATOM 0 H SER A 371 8.427 -15.765 -3.512 1.00 0.00 H new ATOM 0 HA SER A 371 11.301 -15.627 -4.222 1.00 0.00 H new ATOM 0 HB2 SER A 371 8.917 -16.863 -5.630 1.00 0.00 H new ATOM 0 HB3 SER A 371 10.327 -16.353 -6.538 1.00 0.00 H new ATOM 0 HG SER A 371 10.464 -18.572 -5.876 1.00 0.00 H new ATOM 325 N VAL A 372 9.341 -13.343 -4.369 1.00 0.00 N ATOM 326 CA VAL A 372 9.021 -12.000 -4.837 1.00 0.00 C ATOM 327 C VAL A 372 10.228 -11.075 -4.722 1.00 0.00 C ATOM 328 O VAL A 372 10.910 -11.051 -3.697 1.00 0.00 O ATOM 329 CB VAL A 372 7.847 -11.395 -4.045 1.00 0.00 C ATOM 330 CG1 VAL A 372 8.293 -11.004 -2.645 1.00 0.00 C ATOM 331 CG2 VAL A 372 7.269 -10.198 -4.784 1.00 0.00 C ATOM 0 H VAL A 372 9.033 -13.542 -3.417 1.00 0.00 H new ATOM 0 HA VAL A 372 8.735 -12.090 -5.885 1.00 0.00 H new ATOM 0 HB VAL A 372 7.065 -12.149 -3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 372 7.450 -10.578 -2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 372 8.656 -11.887 -2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 372 9.093 -10.266 -2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 372 6.440 -9.782 -4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 372 8.042 -9.439 -4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 372 6.910 -10.514 -5.764 1.00 0.00 H new ATOM 341 N THR A 373 10.487 -10.313 -5.780 1.00 0.00 N ATOM 342 CA THR A 373 11.611 -9.387 -5.799 1.00 0.00 C ATOM 343 C THR A 373 11.135 -7.947 -5.952 1.00 0.00 C ATOM 344 O THR A 373 10.014 -7.697 -6.398 1.00 0.00 O ATOM 345 CB THR A 373 12.592 -9.716 -6.940 1.00 0.00 C ATOM 346 OG1 THR A 373 11.909 -9.685 -8.198 1.00 0.00 O ATOM 347 CG2 THR A 373 13.222 -11.086 -6.734 1.00 0.00 C ATOM 0 H THR A 373 9.932 -10.320 -6.636 1.00 0.00 H new ATOM 0 HA THR A 373 12.126 -9.497 -4.845 1.00 0.00 H new ATOM 0 HB THR A 373 13.382 -8.965 -6.937 1.00 0.00 H new ATOM 0 HG1 THR A 373 12.540 -9.894 -8.918 1.00 0.00 H new ATOM 0 HG21 THR A 373 13.911 -11.296 -7.552 1.00 0.00 H new ATOM 0 HG22 THR A 373 13.766 -11.098 -5.789 1.00 0.00 H new ATOM 0 HG23 THR A 373 12.441 -11.846 -6.713 1.00 0.00 H new ATOM 355 N LEU A 374 11.993 -7.003 -5.582 1.00 0.00 N ATOM 356 CA LEU A 374 11.659 -5.586 -5.681 1.00 0.00 C ATOM 357 C LEU A 374 11.192 -5.233 -7.089 1.00 0.00 C ATOM 358 O LEU A 374 10.041 -4.845 -7.293 1.00 0.00 O ATOM 359 CB LEU A 374 12.870 -4.730 -5.303 1.00 0.00 C ATOM 360 CG LEU A 374 12.809 -3.260 -5.721 1.00 0.00 C ATOM 361 CD1 LEU A 374 11.894 -2.478 -4.791 1.00 0.00 C ATOM 362 CD2 LEU A 374 14.203 -2.652 -5.738 1.00 0.00 C ATOM 0 H LEU A 374 12.924 -7.192 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 374 10.844 -5.380 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 374 12.998 -4.775 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 374 13.759 -5.177 -5.748 1.00 0.00 H new ATOM 0 HG LEU A 374 12.399 -3.205 -6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 374 11.863 -1.434 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 374 10.889 -2.899 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 374 12.273 -2.540 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 374 14.140 -1.606 -6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 374 14.641 -2.718 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 374 14.828 -3.195 -6.446 1.00 0.00 H new ATOM 374 N ASP A 375 12.090 -5.372 -8.058 1.00 0.00 N ATOM 375 CA ASP A 375 11.768 -5.071 -9.448 1.00 0.00 C ATOM 376 C ASP A 375 10.427 -5.683 -9.841 1.00 0.00 C ATOM 377 O ASP A 375 9.645 -5.075 -10.572 1.00 0.00 O ATOM 378 CB ASP A 375 12.870 -5.590 -10.373 1.00 0.00 C ATOM 379 CG ASP A 375 14.241 -5.068 -9.990 1.00 0.00 C ATOM 380 OD1 ASP A 375 14.584 -3.941 -10.407 1.00 0.00 O ATOM 381 OD2 ASP A 375 14.971 -5.785 -9.275 1.00 0.00 O ATOM 0 H ASP A 375 13.047 -5.691 -7.906 1.00 0.00 H new ATOM 0 HA ASP A 375 11.697 -3.988 -9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 375 12.879 -6.680 -10.347 1.00 0.00 H new ATOM 0 HB3 ASP A 375 12.647 -5.298 -11.399 1.00 0.00 H new ATOM 386 N ASP A 376 10.168 -6.890 -9.350 1.00 0.00 N ATOM 387 CA ASP A 376 8.922 -7.586 -9.650 1.00 0.00 C ATOM 388 C ASP A 376 7.727 -6.833 -9.072 1.00 0.00 C ATOM 389 O ASP A 376 6.635 -6.847 -9.643 1.00 0.00 O ATOM 390 CB ASP A 376 8.960 -9.010 -9.093 1.00 0.00 C ATOM 391 CG ASP A 376 9.680 -9.973 -10.015 1.00 0.00 C ATOM 392 OD1 ASP A 376 10.749 -9.601 -10.547 1.00 0.00 O ATOM 393 OD2 ASP A 376 9.177 -11.099 -10.207 1.00 0.00 O ATOM 0 H ASP A 376 10.804 -7.407 -8.743 1.00 0.00 H new ATOM 0 HA ASP A 376 8.812 -7.631 -10.734 1.00 0.00 H new ATOM 0 HB2 ASP A 376 9.454 -9.004 -8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 376 7.941 -9.361 -8.930 1.00 0.00 H new ATOM 398 N LEU A 377 7.940 -6.177 -7.937 1.00 0.00 N ATOM 399 CA LEU A 377 6.881 -5.420 -7.280 1.00 0.00 C ATOM 400 C LEU A 377 6.811 -3.997 -7.828 1.00 0.00 C ATOM 401 O LEU A 377 5.750 -3.373 -7.826 1.00 0.00 O ATOM 402 CB LEU A 377 7.113 -5.385 -5.768 1.00 0.00 C ATOM 403 CG LEU A 377 6.922 -6.710 -5.030 1.00 0.00 C ATOM 404 CD1 LEU A 377 7.221 -6.544 -3.548 1.00 0.00 C ATOM 405 CD2 LEU A 377 5.508 -7.236 -5.235 1.00 0.00 C ATOM 0 H LEU A 377 8.837 -6.154 -7.452 1.00 0.00 H new ATOM 0 HA LEU A 377 5.932 -5.917 -7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 377 8.128 -5.033 -5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 377 6.436 -4.649 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 377 7.622 -7.437 -5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 377 7.080 -7.498 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 377 8.252 -6.214 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 377 6.546 -5.802 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 377 5.390 -8.180 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 377 4.791 -6.511 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 377 5.329 -7.395 -6.299 1.00 0.00 H new ATOM 417 N ALA A 378 7.946 -3.492 -8.297 1.00 0.00 N ATOM 418 CA ALA A 378 8.013 -2.145 -8.851 1.00 0.00 C ATOM 419 C ALA A 378 7.337 -2.081 -10.216 1.00 0.00 C ATOM 420 O ALA A 378 6.653 -1.107 -10.536 1.00 0.00 O ATOM 421 CB ALA A 378 9.460 -1.687 -8.954 1.00 0.00 C ATOM 0 H ALA A 378 8.833 -3.995 -8.305 1.00 0.00 H new ATOM 0 HA ALA A 378 7.480 -1.474 -8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 378 9.494 -0.680 -9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 378 9.913 -1.686 -7.963 1.00 0.00 H new ATOM 0 HB3 ALA A 378 10.011 -2.366 -9.604 1.00 0.00 H new ATOM 427 N ASP A 379 7.534 -3.121 -11.019 1.00 0.00 N ATOM 428 CA ASP A 379 6.943 -3.182 -12.350 1.00 0.00 C ATOM 429 C ASP A 379 5.459 -3.527 -12.271 1.00 0.00 C ATOM 430 O ASP A 379 4.700 -3.265 -13.204 1.00 0.00 O ATOM 431 CB ASP A 379 7.675 -4.214 -13.209 1.00 0.00 C ATOM 432 CG ASP A 379 7.343 -4.081 -14.683 1.00 0.00 C ATOM 433 OD1 ASP A 379 6.311 -3.456 -15.004 1.00 0.00 O ATOM 434 OD2 ASP A 379 8.115 -4.604 -15.515 1.00 0.00 O ATOM 0 H ASP A 379 8.099 -3.933 -10.771 1.00 0.00 H new ATOM 0 HA ASP A 379 7.044 -2.200 -12.811 1.00 0.00 H new ATOM 0 HB2 ASP A 379 8.750 -4.101 -13.070 1.00 0.00 H new ATOM 0 HB3 ASP A 379 7.413 -5.216 -12.870 1.00 0.00 H new ATOM 439 N PHE A 380 5.053 -4.118 -11.153 1.00 0.00 N ATOM 440 CA PHE A 380 3.660 -4.502 -10.952 1.00 0.00 C ATOM 441 C PHE A 380 2.882 -3.383 -10.264 1.00 0.00 C ATOM 442 O PHE A 380 1.842 -2.944 -10.755 1.00 0.00 O ATOM 443 CB PHE A 380 3.577 -5.783 -10.121 1.00 0.00 C ATOM 444 CG PHE A 380 2.169 -6.234 -9.854 1.00 0.00 C ATOM 445 CD1 PHE A 380 1.298 -6.487 -10.901 1.00 0.00 C ATOM 446 CD2 PHE A 380 1.717 -6.401 -8.555 1.00 0.00 C ATOM 447 CE1 PHE A 380 0.002 -6.902 -10.657 1.00 0.00 C ATOM 448 CE2 PHE A 380 0.422 -6.816 -8.306 1.00 0.00 C ATOM 449 CZ PHE A 380 -0.437 -7.066 -9.358 1.00 0.00 C ATOM 0 H PHE A 380 5.669 -4.342 -10.371 1.00 0.00 H new ATOM 0 HA PHE A 380 3.214 -4.683 -11.930 1.00 0.00 H new ATOM 0 HB2 PHE A 380 4.113 -6.578 -10.639 1.00 0.00 H new ATOM 0 HB3 PHE A 380 4.085 -5.623 -9.170 1.00 0.00 H new ATOM 0 HD1 PHE A 380 1.635 -6.359 -11.919 1.00 0.00 H new ATOM 0 HD2 PHE A 380 2.383 -6.205 -7.728 1.00 0.00 H new ATOM 0 HE1 PHE A 380 -0.667 -7.098 -11.482 1.00 0.00 H new ATOM 0 HE2 PHE A 380 0.082 -6.945 -7.289 1.00 0.00 H new ATOM 0 HZ PHE A 380 -1.449 -7.389 -9.165 1.00 0.00 H new ATOM 459 N PHE A 381 3.393 -2.931 -9.124 1.00 0.00 N ATOM 460 CA PHE A 381 2.746 -1.866 -8.366 1.00 0.00 C ATOM 461 C PHE A 381 2.586 -0.610 -9.220 1.00 0.00 C ATOM 462 O PHE A 381 1.719 0.224 -8.961 1.00 0.00 O ATOM 463 CB PHE A 381 3.556 -1.541 -7.110 1.00 0.00 C ATOM 464 CG PHE A 381 3.348 -2.523 -5.992 1.00 0.00 C ATOM 465 CD1 PHE A 381 2.069 -2.846 -5.565 1.00 0.00 C ATOM 466 CD2 PHE A 381 4.430 -3.123 -5.369 1.00 0.00 C ATOM 467 CE1 PHE A 381 1.874 -3.749 -4.538 1.00 0.00 C ATOM 468 CE2 PHE A 381 4.240 -4.028 -4.341 1.00 0.00 C ATOM 469 CZ PHE A 381 2.961 -4.340 -3.924 1.00 0.00 C ATOM 0 H PHE A 381 4.253 -3.285 -8.705 1.00 0.00 H new ATOM 0 HA PHE A 381 1.756 -2.214 -8.072 1.00 0.00 H new ATOM 0 HB2 PHE A 381 4.615 -1.514 -7.367 1.00 0.00 H new ATOM 0 HB3 PHE A 381 3.287 -0.544 -6.762 1.00 0.00 H new ATOM 0 HD1 PHE A 381 1.215 -2.386 -6.041 1.00 0.00 H new ATOM 0 HD2 PHE A 381 5.433 -2.881 -5.690 1.00 0.00 H new ATOM 0 HE1 PHE A 381 0.873 -3.993 -4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 381 5.092 -4.491 -3.864 1.00 0.00 H new ATOM 0 HZ PHE A 381 2.811 -5.045 -3.119 1.00 0.00 H new ATOM 479 N LYS A 382 3.428 -0.485 -10.240 1.00 0.00 N ATOM 480 CA LYS A 382 3.381 0.666 -11.133 1.00 0.00 C ATOM 481 C LYS A 382 2.187 0.574 -12.078 1.00 0.00 C ATOM 482 O LYS A 382 1.842 1.544 -12.752 1.00 0.00 O ATOM 483 CB LYS A 382 4.678 0.763 -11.942 1.00 0.00 C ATOM 484 CG LYS A 382 4.823 -0.325 -12.991 1.00 0.00 C ATOM 485 CD LYS A 382 5.700 0.129 -14.146 1.00 0.00 C ATOM 486 CE LYS A 382 4.969 1.112 -15.048 1.00 0.00 C ATOM 487 NZ LYS A 382 5.815 1.547 -16.194 1.00 0.00 N ATOM 0 H LYS A 382 4.151 -1.167 -10.469 1.00 0.00 H new ATOM 0 HA LYS A 382 3.271 1.563 -10.523 1.00 0.00 H new ATOM 0 HB2 LYS A 382 4.719 1.736 -12.432 1.00 0.00 H new ATOM 0 HB3 LYS A 382 5.527 0.714 -11.260 1.00 0.00 H new ATOM 0 HG2 LYS A 382 5.253 -1.217 -12.535 1.00 0.00 H new ATOM 0 HG3 LYS A 382 3.838 -0.603 -13.367 1.00 0.00 H new ATOM 0 HD2 LYS A 382 6.605 0.595 -13.756 1.00 0.00 H new ATOM 0 HD3 LYS A 382 6.013 -0.737 -14.729 1.00 0.00 H new ATOM 0 HE2 LYS A 382 4.057 0.650 -15.425 1.00 0.00 H new ATOM 0 HE3 LYS A 382 4.668 1.984 -14.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 5.282 2.216 -16.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 6.674 2.011 -15.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 6.081 0.718 -16.763 1.00 0.00 H new ATOM 501 N GLN A 383 1.560 -0.598 -12.120 1.00 0.00 N ATOM 502 CA GLN A 383 0.405 -0.815 -12.982 1.00 0.00 C ATOM 503 C GLN A 383 -0.613 0.310 -12.822 1.00 0.00 C ATOM 504 O GLN A 383 -1.025 0.931 -13.801 1.00 0.00 O ATOM 505 CB GLN A 383 -0.251 -2.160 -12.662 1.00 0.00 C ATOM 506 CG GLN A 383 0.369 -3.330 -13.409 1.00 0.00 C ATOM 507 CD GLN A 383 -0.594 -4.487 -13.583 1.00 0.00 C ATOM 508 OE1 GLN A 383 -0.929 -4.869 -14.704 1.00 0.00 O ATOM 509 NE2 GLN A 383 -1.047 -5.054 -12.469 1.00 0.00 N ATOM 0 H GLN A 383 1.833 -1.411 -11.567 1.00 0.00 H new ATOM 0 HA GLN A 383 0.751 -0.823 -14.015 1.00 0.00 H new ATOM 0 HB2 GLN A 383 -0.179 -2.344 -11.590 1.00 0.00 H new ATOM 0 HB3 GLN A 383 -1.312 -2.105 -12.906 1.00 0.00 H new ATOM 0 HG2 GLN A 383 0.707 -2.993 -14.389 1.00 0.00 H new ATOM 0 HG3 GLN A 383 1.251 -3.674 -12.869 1.00 0.00 H new ATOM 0 HE21 GLN A 383 -0.743 -4.706 -11.560 1.00 0.00 H new ATOM 0 HE22 GLN A 383 -1.698 -5.837 -12.524 1.00 0.00 H new ATOM 518 N CYS A 384 -1.013 0.566 -11.581 1.00 0.00 N ATOM 519 CA CYS A 384 -1.984 1.616 -11.293 1.00 0.00 C ATOM 520 C CYS A 384 -1.470 2.975 -11.758 1.00 0.00 C ATOM 521 O CYS A 384 -2.037 3.588 -12.660 1.00 0.00 O ATOM 522 CB CYS A 384 -2.291 1.659 -9.795 1.00 0.00 C ATOM 523 SG CYS A 384 -3.944 2.275 -9.397 1.00 0.00 S ATOM 0 H CYS A 384 -0.680 0.062 -10.759 1.00 0.00 H new ATOM 0 HA CYS A 384 -2.900 1.388 -11.838 1.00 0.00 H new ATOM 0 HB2 CYS A 384 -2.180 0.656 -9.383 1.00 0.00 H new ATOM 0 HB3 CYS A 384 -1.551 2.290 -9.301 1.00 0.00 H new ATOM 0 HG CYS A 384 -4.822 1.679 -10.148 1.00 0.00 H new ATOM 529 N GLY A 385 -0.392 3.440 -11.132 1.00 0.00 N ATOM 530 CA GLY A 385 0.179 4.724 -11.494 1.00 0.00 C ATOM 531 C GLY A 385 1.692 4.683 -11.574 1.00 0.00 C ATOM 532 O GLY A 385 2.261 3.873 -12.307 1.00 0.00 O ATOM 0 H GLY A 385 0.095 2.950 -10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 385 -0.224 5.039 -12.456 1.00 0.00 H new ATOM 0 HA3 GLY A 385 -0.123 5.472 -10.761 1.00 0.00 H new ATOM 536 N VAL A 386 2.348 5.559 -10.821 1.00 0.00 N ATOM 537 CA VAL A 386 3.805 5.621 -10.809 1.00 0.00 C ATOM 538 C VAL A 386 4.349 5.498 -9.391 1.00 0.00 C ATOM 539 O VAL A 386 3.923 6.217 -8.487 1.00 0.00 O ATOM 540 CB VAL A 386 4.315 6.933 -11.433 1.00 0.00 C ATOM 541 CG1 VAL A 386 5.834 6.993 -11.381 1.00 0.00 C ATOM 542 CG2 VAL A 386 3.818 7.072 -12.864 1.00 0.00 C ATOM 0 H VAL A 386 1.893 6.237 -10.210 1.00 0.00 H new ATOM 0 HA VAL A 386 4.163 4.781 -11.405 1.00 0.00 H new ATOM 0 HB VAL A 386 3.921 7.767 -10.853 1.00 0.00 H new ATOM 0 HG11 VAL A 386 6.177 7.927 -11.826 1.00 0.00 H new ATOM 0 HG12 VAL A 386 6.165 6.943 -10.344 1.00 0.00 H new ATOM 0 HG13 VAL A 386 6.251 6.152 -11.936 1.00 0.00 H new ATOM 0 HG21 VAL A 386 4.188 8.005 -13.289 1.00 0.00 H new ATOM 0 HG22 VAL A 386 4.181 6.233 -13.458 1.00 0.00 H new ATOM 0 HG23 VAL A 386 2.728 7.077 -12.872 1.00 0.00 H new ATOM 552 N VAL A 387 5.296 4.585 -9.203 1.00 0.00 N ATOM 553 CA VAL A 387 5.902 4.369 -7.894 1.00 0.00 C ATOM 554 C VAL A 387 7.009 5.382 -7.628 1.00 0.00 C ATOM 555 O VAL A 387 7.948 5.514 -8.413 1.00 0.00 O ATOM 556 CB VAL A 387 6.481 2.948 -7.772 1.00 0.00 C ATOM 557 CG1 VAL A 387 7.093 2.736 -6.395 1.00 0.00 C ATOM 558 CG2 VAL A 387 5.406 1.908 -8.051 1.00 0.00 C ATOM 0 H VAL A 387 5.661 3.982 -9.941 1.00 0.00 H new ATOM 0 HA VAL A 387 5.112 4.496 -7.154 1.00 0.00 H new ATOM 0 HB VAL A 387 7.269 2.832 -8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 387 7.497 1.726 -6.328 1.00 0.00 H new ATOM 0 HG12 VAL A 387 7.894 3.458 -6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 387 6.327 2.872 -5.632 1.00 0.00 H new ATOM 0 HG21 VAL A 387 5.834 0.909 -7.960 1.00 0.00 H new ATOM 0 HG22 VAL A 387 4.594 2.022 -7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 387 5.019 2.047 -9.061 1.00 0.00 H new ATOM 568 N LYS A 388 6.892 6.097 -6.513 1.00 0.00 N ATOM 569 CA LYS A 388 7.884 7.098 -6.141 1.00 0.00 C ATOM 570 C LYS A 388 9.299 6.554 -6.311 1.00 0.00 C ATOM 571 O LYS A 388 9.750 5.718 -5.528 1.00 0.00 O ATOM 572 CB LYS A 388 7.670 7.544 -4.692 1.00 0.00 C ATOM 573 CG LYS A 388 8.481 8.768 -4.305 1.00 0.00 C ATOM 574 CD LYS A 388 7.786 9.579 -3.225 1.00 0.00 C ATOM 575 CE LYS A 388 8.402 10.963 -3.083 1.00 0.00 C ATOM 576 NZ LYS A 388 7.952 11.884 -4.164 1.00 0.00 N ATOM 0 H LYS A 388 6.121 6.001 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 388 7.762 7.956 -6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 388 6.612 7.757 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 388 7.929 6.721 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 388 9.464 8.457 -3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 388 8.641 9.392 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.727 9.674 -3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.851 9.051 -2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 388 8.133 11.382 -2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 388 9.489 10.881 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 8.353 12.830 -4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 8.275 11.523 -5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 6.914 11.943 -4.160 1.00 0.00 H new ATOM 590 N MET A 389 9.994 7.033 -7.337 1.00 0.00 N ATOM 591 CA MET A 389 11.358 6.596 -7.608 1.00 0.00 C ATOM 592 C MET A 389 12.366 7.647 -7.155 1.00 0.00 C ATOM 593 O MET A 389 12.268 8.816 -7.527 1.00 0.00 O ATOM 594 CB MET A 389 11.538 6.310 -9.100 1.00 0.00 C ATOM 595 CG MET A 389 10.895 5.007 -9.551 1.00 0.00 C ATOM 596 SD MET A 389 11.757 4.253 -10.944 1.00 0.00 S ATOM 597 CE MET A 389 13.311 3.804 -10.178 1.00 0.00 C ATOM 0 H MET A 389 9.635 7.725 -7.995 1.00 0.00 H new ATOM 0 HA MET A 389 11.537 5.680 -7.046 1.00 0.00 H new ATOM 0 HB2 MET A 389 11.112 7.133 -9.673 1.00 0.00 H new ATOM 0 HB3 MET A 389 12.603 6.279 -9.330 1.00 0.00 H new ATOM 0 HG2 MET A 389 10.879 4.306 -8.716 1.00 0.00 H new ATOM 0 HG3 MET A 389 9.858 5.195 -9.829 1.00 0.00 H new ATOM 0 HE1 MET A 389 13.725 2.929 -10.680 1.00 0.00 H new ATOM 0 HE2 MET A 389 14.011 4.635 -10.261 1.00 0.00 H new ATOM 0 HE3 MET A 389 13.145 3.573 -9.126 1.00 0.00 H new ATOM 607 N ASN A 390 13.335 7.223 -6.350 1.00 0.00 N ATOM 608 CA ASN A 390 14.361 8.129 -5.846 1.00 0.00 C ATOM 609 C ASN A 390 15.042 8.870 -6.992 1.00 0.00 C ATOM 610 O ASN A 390 15.217 8.326 -8.083 1.00 0.00 O ATOM 611 CB ASN A 390 15.400 7.354 -5.034 1.00 0.00 C ATOM 612 CG ASN A 390 16.020 8.196 -3.935 1.00 0.00 C ATOM 613 OD1 ASN A 390 15.871 9.417 -3.915 1.00 0.00 O ATOM 614 ND2 ASN A 390 16.719 7.543 -3.014 1.00 0.00 N ATOM 0 H ASN A 390 13.431 6.258 -6.033 1.00 0.00 H new ATOM 0 HA ASN A 390 13.879 8.862 -5.200 1.00 0.00 H new ATOM 0 HB2 ASN A 390 14.930 6.475 -4.593 1.00 0.00 H new ATOM 0 HB3 ASN A 390 16.185 6.996 -5.700 1.00 0.00 H new ATOM 0 HD21 ASN A 390 17.159 8.055 -2.250 1.00 0.00 H new ATOM 0 HD22 ASN A 390 16.816 6.529 -3.071 1.00 0.00 H new ATOM 621 N LYS A 391 15.427 10.117 -6.737 1.00 0.00 N ATOM 622 CA LYS A 391 16.092 10.934 -7.745 1.00 0.00 C ATOM 623 C LYS A 391 17.608 10.848 -7.601 1.00 0.00 C ATOM 624 O LYS A 391 18.350 11.256 -8.496 1.00 0.00 O ATOM 625 CB LYS A 391 15.639 12.391 -7.630 1.00 0.00 C ATOM 626 CG LYS A 391 16.221 13.116 -6.429 1.00 0.00 C ATOM 627 CD LYS A 391 15.372 12.907 -5.186 1.00 0.00 C ATOM 628 CE LYS A 391 15.543 14.047 -4.195 1.00 0.00 C ATOM 629 NZ LYS A 391 16.669 13.798 -3.252 1.00 0.00 N ATOM 0 H LYS A 391 15.289 10.583 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 391 15.816 10.551 -8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 391 15.923 12.924 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 391 14.551 12.421 -7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 391 17.234 12.759 -6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 391 16.294 14.182 -6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 391 14.323 12.825 -5.470 1.00 0.00 H new ATOM 0 HD3 LYS A 391 15.647 11.966 -4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 391 15.722 14.976 -4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 391 14.620 14.180 -3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 16.753 14.598 -2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 16.487 12.925 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 17.555 13.697 -3.788 1.00 0.00 H new ATOM 643 N ARG A 392 18.062 10.316 -6.471 1.00 0.00 N ATOM 644 CA ARG A 392 19.489 10.177 -6.212 1.00 0.00 C ATOM 645 C ARG A 392 19.944 8.736 -6.428 1.00 0.00 C ATOM 646 O ARG A 392 21.003 8.487 -7.005 1.00 0.00 O ATOM 647 CB ARG A 392 19.814 10.617 -4.783 1.00 0.00 C ATOM 648 CG ARG A 392 18.953 9.942 -3.728 1.00 0.00 C ATOM 649 CD ARG A 392 19.364 10.360 -2.324 1.00 0.00 C ATOM 650 NE ARG A 392 19.075 9.323 -1.338 1.00 0.00 N ATOM 651 CZ ARG A 392 19.190 9.501 -0.026 1.00 0.00 C ATOM 652 NH1 ARG A 392 19.588 10.672 0.453 1.00 0.00 N ATOM 653 NH2 ARG A 392 18.909 8.510 0.808 1.00 0.00 N ATOM 0 H ARG A 392 17.462 9.974 -5.720 1.00 0.00 H new ATOM 0 HA ARG A 392 20.024 10.817 -6.913 1.00 0.00 H new ATOM 0 HB2 ARG A 392 20.863 10.403 -4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 392 19.688 11.697 -4.707 1.00 0.00 H new ATOM 0 HG2 ARG A 392 17.906 10.197 -3.893 1.00 0.00 H new ATOM 0 HG3 ARG A 392 19.037 8.860 -3.826 1.00 0.00 H new ATOM 0 HD2 ARG A 392 20.430 10.586 -2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 392 18.841 11.276 -2.051 1.00 0.00 H new ATOM 0 HE ARG A 392 18.768 8.411 -1.675 1.00 0.00 H new ATOM 0 HH11 ARG A 392 19.806 11.437 -0.186 1.00 0.00 H new ATOM 0 HH12 ARG A 392 19.676 10.808 1.460 1.00 0.00 H new ATOM 0 HH21 ARG A 392 18.604 7.608 0.443 1.00 0.00 H new ATOM 0 HH22 ARG A 392 18.998 8.650 1.814 1.00 0.00 H new ATOM 667 N THR A 393 19.136 7.790 -5.960 1.00 0.00 N ATOM 668 CA THR A 393 19.455 6.375 -6.100 1.00 0.00 C ATOM 669 C THR A 393 18.750 5.769 -7.308 1.00 0.00 C ATOM 670 O THR A 393 19.148 4.718 -7.809 1.00 0.00 O ATOM 671 CB THR A 393 19.061 5.582 -4.839 1.00 0.00 C ATOM 672 OG1 THR A 393 17.655 5.713 -4.598 1.00 0.00 O ATOM 673 CG2 THR A 393 19.837 6.074 -3.627 1.00 0.00 C ATOM 0 H THR A 393 18.256 7.978 -5.481 1.00 0.00 H new ATOM 0 HA THR A 393 20.534 6.307 -6.240 1.00 0.00 H new ATOM 0 HB THR A 393 19.304 4.533 -5.005 1.00 0.00 H new ATOM 0 HG1 THR A 393 17.322 4.904 -4.156 1.00 0.00 H new ATOM 0 HG21 THR A 393 19.542 5.500 -2.749 1.00 0.00 H new ATOM 0 HG22 THR A 393 20.905 5.946 -3.802 1.00 0.00 H new ATOM 0 HG23 THR A 393 19.620 7.129 -3.460 1.00 0.00 H new ATOM 681 N GLY A 394 17.700 6.439 -7.773 1.00 0.00 N ATOM 682 CA GLY A 394 16.957 5.952 -8.920 1.00 0.00 C ATOM 683 C GLY A 394 16.241 4.646 -8.634 1.00 0.00 C ATOM 684 O GLY A 394 15.857 3.928 -9.557 1.00 0.00 O ATOM 0 H GLY A 394 17.351 7.311 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 394 16.228 6.704 -9.223 1.00 0.00 H new ATOM 0 HA3 GLY A 394 17.639 5.813 -9.759 1.00 0.00 H new ATOM 688 N GLN A 395 16.065 4.338 -7.354 1.00 0.00 N ATOM 689 CA GLN A 395 15.393 3.108 -6.951 1.00 0.00 C ATOM 690 C GLN A 395 14.000 3.402 -6.405 1.00 0.00 C ATOM 691 O GLN A 395 13.728 4.483 -5.881 1.00 0.00 O ATOM 692 CB GLN A 395 16.222 2.371 -5.896 1.00 0.00 C ATOM 693 CG GLN A 395 17.644 2.069 -6.343 1.00 0.00 C ATOM 694 CD GLN A 395 18.257 0.907 -5.587 1.00 0.00 C ATOM 695 OE1 GLN A 395 19.267 1.062 -4.901 1.00 0.00 O ATOM 696 NE2 GLN A 395 17.648 -0.266 -5.709 1.00 0.00 N ATOM 0 H GLN A 395 16.378 4.922 -6.578 1.00 0.00 H new ATOM 0 HA GLN A 395 15.292 2.474 -7.832 1.00 0.00 H new ATOM 0 HB2 GLN A 395 16.255 2.972 -4.987 1.00 0.00 H new ATOM 0 HB3 GLN A 395 15.723 1.436 -5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 395 17.646 1.845 -7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 395 18.262 2.956 -6.202 1.00 0.00 H new ATOM 0 HE21 GLN A 395 16.813 -0.349 -6.288 1.00 0.00 H new ATOM 0 HE22 GLN A 395 18.015 -1.084 -5.223 1.00 0.00 H new ATOM 705 N PRO A 396 13.096 2.420 -6.530 1.00 0.00 N ATOM 706 CA PRO A 396 11.715 2.550 -6.055 1.00 0.00 C ATOM 707 C PRO A 396 11.625 2.572 -4.533 1.00 0.00 C ATOM 708 O PRO A 396 12.424 1.937 -3.846 1.00 0.00 O ATOM 709 CB PRO A 396 11.028 1.301 -6.613 1.00 0.00 C ATOM 710 CG PRO A 396 12.127 0.310 -6.785 1.00 0.00 C ATOM 711 CD PRO A 396 13.351 1.106 -7.145 1.00 0.00 C ATOM 0 HA PRO A 396 11.259 3.485 -6.380 1.00 0.00 H new ATOM 0 HB2 PRO A 396 10.264 0.930 -5.929 1.00 0.00 H new ATOM 0 HB3 PRO A 396 10.533 1.512 -7.561 1.00 0.00 H new ATOM 0 HG2 PRO A 396 12.287 -0.258 -5.869 1.00 0.00 H new ATOM 0 HG3 PRO A 396 11.885 -0.409 -7.568 1.00 0.00 H new ATOM 0 HD2 PRO A 396 14.258 0.648 -6.752 1.00 0.00 H new ATOM 0 HD3 PRO A 396 13.476 1.185 -8.225 1.00 0.00 H new ATOM 719 N MET A 397 10.647 3.307 -4.013 1.00 0.00 N ATOM 720 CA MET A 397 10.453 3.410 -2.571 1.00 0.00 C ATOM 721 C MET A 397 9.684 2.204 -2.039 1.00 0.00 C ATOM 722 O MET A 397 8.812 2.342 -1.181 1.00 0.00 O ATOM 723 CB MET A 397 9.704 4.699 -2.227 1.00 0.00 C ATOM 724 CG MET A 397 10.476 5.961 -2.573 1.00 0.00 C ATOM 725 SD MET A 397 11.518 6.533 -1.217 1.00 0.00 S ATOM 726 CE MET A 397 13.141 6.425 -1.967 1.00 0.00 C ATOM 0 H MET A 397 9.977 3.840 -4.568 1.00 0.00 H new ATOM 0 HA MET A 397 11.435 3.431 -2.097 1.00 0.00 H new ATOM 0 HB2 MET A 397 8.752 4.709 -2.757 1.00 0.00 H new ATOM 0 HB3 MET A 397 9.476 4.703 -1.161 1.00 0.00 H new ATOM 0 HG2 MET A 397 11.097 5.773 -3.449 1.00 0.00 H new ATOM 0 HG3 MET A 397 9.773 6.749 -2.843 1.00 0.00 H new ATOM 0 HE1 MET A 397 13.896 6.747 -1.249 1.00 0.00 H new ATOM 0 HE2 MET A 397 13.337 5.394 -2.262 1.00 0.00 H new ATOM 0 HE3 MET A 397 13.179 7.068 -2.846 1.00 0.00 H new ATOM 736 N ILE A 398 10.015 1.024 -2.553 1.00 0.00 N ATOM 737 CA ILE A 398 9.357 -0.205 -2.127 1.00 0.00 C ATOM 738 C ILE A 398 10.204 -0.958 -1.106 1.00 0.00 C ATOM 739 O ILE A 398 11.421 -1.067 -1.252 1.00 0.00 O ATOM 740 CB ILE A 398 9.071 -1.133 -3.323 1.00 0.00 C ATOM 741 CG1 ILE A 398 8.072 -0.477 -4.278 1.00 0.00 C ATOM 742 CG2 ILE A 398 8.544 -2.475 -2.837 1.00 0.00 C ATOM 743 CD1 ILE A 398 7.881 -1.239 -5.571 1.00 0.00 C ATOM 0 H ILE A 398 10.734 0.893 -3.264 1.00 0.00 H new ATOM 0 HA ILE A 398 8.412 0.086 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 398 10.002 -1.304 -3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 398 7.109 -0.383 -3.775 1.00 0.00 H new ATOM 0 HG13 ILE A 398 8.411 0.533 -4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 398 8.346 -3.120 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 398 9.286 -2.945 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 398 7.621 -2.322 -2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 398 7.160 -0.716 -6.199 1.00 0.00 H new ATOM 0 HD12 ILE A 398 8.834 -1.310 -6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 398 7.512 -2.241 -5.352 1.00 0.00 H new ATOM 755 N HIS A 399 9.550 -1.476 -0.071 1.00 0.00 N ATOM 756 CA HIS A 399 10.242 -2.221 0.976 1.00 0.00 C ATOM 757 C HIS A 399 9.734 -3.657 1.045 1.00 0.00 C ATOM 758 O HIS A 399 8.546 -3.916 0.851 1.00 0.00 O ATOM 759 CB HIS A 399 10.054 -1.534 2.328 1.00 0.00 C ATOM 760 CG HIS A 399 11.212 -1.721 3.260 1.00 0.00 C ATOM 761 ND1 HIS A 399 12.432 -1.105 3.078 1.00 0.00 N ATOM 762 CD2 HIS A 399 11.330 -2.460 4.388 1.00 0.00 C ATOM 763 CE1 HIS A 399 13.251 -1.457 4.052 1.00 0.00 C ATOM 764 NE2 HIS A 399 12.606 -2.279 4.861 1.00 0.00 N ATOM 0 H HIS A 399 8.543 -1.394 0.065 1.00 0.00 H new ATOM 0 HA HIS A 399 11.304 -2.242 0.733 1.00 0.00 H new ATOM 0 HB2 HIS A 399 9.897 -0.468 2.166 1.00 0.00 H new ATOM 0 HB3 HIS A 399 9.151 -1.921 2.801 1.00 0.00 H new ATOM 0 HD2 HIS A 399 10.563 -3.077 4.833 1.00 0.00 H new ATOM 0 HE1 HIS A 399 14.273 -1.129 4.168 1.00 0.00 H new ATOM 0 HE2 HIS A 399 12.993 -2.709 5.701 1.00 0.00 H new ATOM 772 N ILE A 400 10.641 -4.587 1.324 1.00 0.00 N ATOM 773 CA ILE A 400 10.283 -5.997 1.420 1.00 0.00 C ATOM 774 C ILE A 400 10.912 -6.641 2.651 1.00 0.00 C ATOM 775 O ILE A 400 12.053 -7.102 2.610 1.00 0.00 O ATOM 776 CB ILE A 400 10.723 -6.776 0.166 1.00 0.00 C ATOM 777 CG1 ILE A 400 10.051 -6.199 -1.082 1.00 0.00 C ATOM 778 CG2 ILE A 400 10.393 -8.253 0.317 1.00 0.00 C ATOM 779 CD1 ILE A 400 10.416 -6.928 -2.356 1.00 0.00 C ATOM 0 H ILE A 400 11.628 -4.390 1.487 1.00 0.00 H new ATOM 0 HA ILE A 400 9.197 -6.042 1.504 1.00 0.00 H new ATOM 0 HB ILE A 400 11.802 -6.675 0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 400 8.969 -6.233 -0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 400 10.328 -5.149 -1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 400 10.710 -8.790 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 400 10.914 -8.655 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 400 9.318 -8.374 0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 400 9.904 -6.465 -3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 400 11.493 -6.873 -2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 400 10.114 -7.972 -2.277 1.00 0.00 H new ATOM 791 N TYR A 401 10.160 -6.672 3.745 1.00 0.00 N ATOM 792 CA TYR A 401 10.643 -7.258 4.990 1.00 0.00 C ATOM 793 C TYR A 401 10.997 -8.730 4.796 1.00 0.00 C ATOM 794 O TYR A 401 10.175 -9.523 4.339 1.00 0.00 O ATOM 795 CB TYR A 401 9.589 -7.117 6.088 1.00 0.00 C ATOM 796 CG TYR A 401 8.957 -5.744 6.148 1.00 0.00 C ATOM 797 CD1 TYR A 401 7.923 -5.395 5.288 1.00 0.00 C ATOM 798 CD2 TYR A 401 9.396 -4.795 7.063 1.00 0.00 C ATOM 799 CE1 TYR A 401 7.344 -4.142 5.338 1.00 0.00 C ATOM 800 CE2 TYR A 401 8.821 -3.540 7.122 1.00 0.00 C ATOM 801 CZ TYR A 401 7.795 -3.218 6.256 1.00 0.00 C ATOM 802 OH TYR A 401 7.222 -1.969 6.311 1.00 0.00 O ATOM 0 H TYR A 401 9.212 -6.298 3.795 1.00 0.00 H new ATOM 0 HA TYR A 401 11.543 -6.721 5.290 1.00 0.00 H new ATOM 0 HB2 TYR A 401 8.808 -7.861 5.928 1.00 0.00 H new ATOM 0 HB3 TYR A 401 10.048 -7.339 7.051 1.00 0.00 H new ATOM 0 HD1 TYR A 401 7.566 -6.116 4.568 1.00 0.00 H new ATOM 0 HD2 TYR A 401 10.200 -5.043 7.740 1.00 0.00 H new ATOM 0 HE1 TYR A 401 6.542 -3.887 4.661 1.00 0.00 H new ATOM 0 HE2 TYR A 401 9.172 -2.815 7.841 1.00 0.00 H new ATOM 0 HH TYR A 401 7.655 -1.441 7.014 1.00 0.00 H new ATOM 812 N LEU A 402 12.227 -9.085 5.148 1.00 0.00 N ATOM 813 CA LEU A 402 12.693 -10.462 5.015 1.00 0.00 C ATOM 814 C LEU A 402 12.855 -11.116 6.383 1.00 0.00 C ATOM 815 O LEU A 402 13.414 -10.522 7.304 1.00 0.00 O ATOM 816 CB LEU A 402 14.022 -10.501 4.258 1.00 0.00 C ATOM 817 CG LEU A 402 14.067 -9.725 2.941 1.00 0.00 C ATOM 818 CD1 LEU A 402 15.474 -9.735 2.364 1.00 0.00 C ATOM 819 CD2 LEU A 402 13.076 -10.307 1.945 1.00 0.00 C ATOM 0 H LEU A 402 12.920 -8.440 5.527 1.00 0.00 H new ATOM 0 HA LEU A 402 11.945 -11.020 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 402 14.802 -10.112 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 402 14.269 -11.542 4.052 1.00 0.00 H new ATOM 0 HG LEU A 402 13.785 -8.691 3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 402 15.487 -9.178 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 402 16.161 -9.271 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 402 15.784 -10.763 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 402 13.122 -9.742 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 402 13.326 -11.350 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 402 12.069 -10.247 2.357 1.00 0.00 H new ATOM 831 N ASP A 403 12.364 -12.345 6.507 1.00 0.00 N ATOM 832 CA ASP A 403 12.456 -13.083 7.761 1.00 0.00 C ATOM 833 C ASP A 403 13.906 -13.183 8.227 1.00 0.00 C ATOM 834 O ASP A 403 14.763 -13.711 7.517 1.00 0.00 O ATOM 835 CB ASP A 403 11.862 -14.482 7.600 1.00 0.00 C ATOM 836 CG ASP A 403 11.297 -15.024 8.899 1.00 0.00 C ATOM 837 OD1 ASP A 403 10.987 -14.213 9.796 1.00 0.00 O ATOM 838 OD2 ASP A 403 11.166 -16.260 9.017 1.00 0.00 O ATOM 0 H ASP A 403 11.898 -12.851 5.754 1.00 0.00 H new ATOM 0 HA ASP A 403 11.886 -12.540 8.516 1.00 0.00 H new ATOM 0 HB2 ASP A 403 11.074 -14.455 6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 403 12.631 -15.160 7.231 1.00 0.00 H new ATOM 843 N LYS A 404 14.174 -12.671 9.423 1.00 0.00 N ATOM 844 CA LYS A 404 15.520 -12.703 9.986 1.00 0.00 C ATOM 845 C LYS A 404 15.926 -14.129 10.345 1.00 0.00 C ATOM 846 O LYS A 404 17.039 -14.366 10.813 1.00 0.00 O ATOM 847 CB LYS A 404 15.598 -11.810 11.225 1.00 0.00 C ATOM 848 CG LYS A 404 14.841 -12.363 12.422 1.00 0.00 C ATOM 849 CD LYS A 404 15.433 -11.871 13.732 1.00 0.00 C ATOM 850 CE LYS A 404 16.746 -12.568 14.048 1.00 0.00 C ATOM 851 NZ LYS A 404 17.619 -11.736 14.922 1.00 0.00 N ATOM 0 H LYS A 404 13.477 -12.229 10.022 1.00 0.00 H new ATOM 0 HA LYS A 404 16.212 -12.327 9.232 1.00 0.00 H new ATOM 0 HB2 LYS A 404 16.644 -11.673 11.499 1.00 0.00 H new ATOM 0 HB3 LYS A 404 15.202 -10.825 10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 404 13.794 -12.066 12.360 1.00 0.00 H new ATOM 0 HG3 LYS A 404 14.865 -13.452 12.397 1.00 0.00 H new ATOM 0 HD2 LYS A 404 15.596 -10.795 13.677 1.00 0.00 H new ATOM 0 HD3 LYS A 404 14.724 -12.045 14.541 1.00 0.00 H new ATOM 0 HE2 LYS A 404 16.543 -13.520 14.538 1.00 0.00 H new ATOM 0 HE3 LYS A 404 17.270 -12.793 13.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 404 18.505 -12.246 15.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 404 17.834 -10.838 14.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 404 17.129 -11.542 15.819 1.00 0.00 H new ATOM 865 N GLU A 405 15.017 -15.072 10.123 1.00 0.00 N ATOM 866 CA GLU A 405 15.282 -16.474 10.424 1.00 0.00 C ATOM 867 C GLU A 405 15.929 -17.174 9.232 1.00 0.00 C ATOM 868 O GLU A 405 16.820 -18.007 9.395 1.00 0.00 O ATOM 869 CB GLU A 405 13.986 -17.191 10.807 1.00 0.00 C ATOM 870 CG GLU A 405 13.207 -16.491 11.908 1.00 0.00 C ATOM 871 CD GLU A 405 13.601 -16.965 13.293 1.00 0.00 C ATOM 872 OE1 GLU A 405 13.052 -17.989 13.749 1.00 0.00 O ATOM 873 OE2 GLU A 405 14.460 -16.310 13.921 1.00 0.00 O ATOM 0 H GLU A 405 14.091 -14.891 9.736 1.00 0.00 H new ATOM 0 HA GLU A 405 15.973 -16.513 11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 405 13.353 -17.277 9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 405 14.223 -18.205 11.129 1.00 0.00 H new ATOM 0 HG2 GLU A 405 13.370 -15.416 11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 405 12.141 -16.662 11.759 1.00 0.00 H new ATOM 880 N THR A 406 15.475 -16.828 8.032 1.00 0.00 N ATOM 881 CA THR A 406 16.007 -17.422 6.811 1.00 0.00 C ATOM 882 C THR A 406 16.504 -16.350 5.849 1.00 0.00 C ATOM 883 O THR A 406 17.491 -16.547 5.141 1.00 0.00 O ATOM 884 CB THR A 406 14.949 -18.284 6.098 1.00 0.00 C ATOM 885 OG1 THR A 406 13.859 -17.462 5.663 1.00 0.00 O ATOM 886 CG2 THR A 406 14.429 -19.376 7.022 1.00 0.00 C ATOM 0 H THR A 406 14.739 -16.139 7.879 1.00 0.00 H new ATOM 0 HA THR A 406 16.842 -18.056 7.107 1.00 0.00 H new ATOM 0 HB THR A 406 15.418 -18.753 5.233 1.00 0.00 H new ATOM 0 HG1 THR A 406 13.448 -17.026 6.439 1.00 0.00 H new ATOM 0 HG21 THR A 406 13.683 -19.972 6.497 1.00 0.00 H new ATOM 0 HG22 THR A 406 15.255 -20.017 7.329 1.00 0.00 H new ATOM 0 HG23 THR A 406 13.976 -18.922 7.903 1.00 0.00 H new ATOM 894 N GLY A 407 15.816 -15.212 5.829 1.00 0.00 N ATOM 895 CA GLY A 407 16.204 -14.125 4.950 1.00 0.00 C ATOM 896 C GLY A 407 15.258 -13.963 3.776 1.00 0.00 C ATOM 897 O GLY A 407 15.432 -13.069 2.948 1.00 0.00 O ATOM 0 H GLY A 407 14.996 -15.024 6.406 1.00 0.00 H new ATOM 0 HA2 GLY A 407 16.235 -13.196 5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 407 17.213 -14.305 4.578 1.00 0.00 H new ATOM 901 N LYS A 408 14.255 -14.832 3.702 1.00 0.00 N ATOM 902 CA LYS A 408 13.278 -14.783 2.620 1.00 0.00 C ATOM 903 C LYS A 408 12.169 -13.784 2.934 1.00 0.00 C ATOM 904 O LYS A 408 11.854 -13.513 4.094 1.00 0.00 O ATOM 905 CB LYS A 408 12.678 -16.171 2.384 1.00 0.00 C ATOM 906 CG LYS A 408 11.810 -16.661 3.530 1.00 0.00 C ATOM 907 CD LYS A 408 11.750 -18.178 3.575 1.00 0.00 C ATOM 908 CE LYS A 408 11.197 -18.676 4.901 1.00 0.00 C ATOM 909 NZ LYS A 408 9.711 -18.604 4.945 1.00 0.00 N ATOM 0 H LYS A 408 14.097 -15.579 4.379 1.00 0.00 H new ATOM 0 HA LYS A 408 13.791 -14.457 1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 408 12.082 -16.150 1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 408 13.486 -16.884 2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 408 12.204 -16.283 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 408 10.803 -16.259 3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 408 11.125 -18.543 2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 408 12.748 -18.587 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 408 11.515 -19.706 5.063 1.00 0.00 H new ATOM 0 HE3 LYS A 408 11.613 -18.082 5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 9.374 -18.952 5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 9.407 -17.618 4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 9.312 -19.192 4.185 1.00 0.00 H new ATOM 923 N PRO A 409 11.560 -13.223 1.879 1.00 0.00 N ATOM 924 CA PRO A 409 10.475 -12.248 2.018 1.00 0.00 C ATOM 925 C PRO A 409 9.192 -12.880 2.547 1.00 0.00 C ATOM 926 O PRO A 409 8.391 -13.419 1.784 1.00 0.00 O ATOM 927 CB PRO A 409 10.270 -11.740 0.588 1.00 0.00 C ATOM 928 CG PRO A 409 10.754 -12.848 -0.281 1.00 0.00 C ATOM 929 CD PRO A 409 11.883 -13.500 0.469 1.00 0.00 C ATOM 0 HA PRO A 409 10.721 -11.463 2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 409 9.221 -11.515 0.395 1.00 0.00 H new ATOM 0 HB3 PRO A 409 10.831 -10.823 0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 409 9.956 -13.562 -0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 409 11.094 -12.468 -1.245 1.00 0.00 H new ATOM 0 HD2 PRO A 409 11.932 -14.571 0.271 1.00 0.00 H new ATOM 0 HD3 PRO A 409 12.848 -13.079 0.188 1.00 0.00 H new ATOM 937 N LYS A 410 9.001 -12.809 3.860 1.00 0.00 N ATOM 938 CA LYS A 410 7.814 -13.371 4.493 1.00 0.00 C ATOM 939 C LYS A 410 6.601 -13.251 3.577 1.00 0.00 C ATOM 940 O LYS A 410 5.914 -14.236 3.308 1.00 0.00 O ATOM 941 CB LYS A 410 7.536 -12.664 5.822 1.00 0.00 C ATOM 942 CG LYS A 410 7.773 -11.165 5.775 1.00 0.00 C ATOM 943 CD LYS A 410 8.082 -10.605 7.153 1.00 0.00 C ATOM 944 CE LYS A 410 6.809 -10.257 7.910 1.00 0.00 C ATOM 945 NZ LYS A 410 6.178 -11.462 8.518 1.00 0.00 N ATOM 0 H LYS A 410 9.654 -12.367 4.507 1.00 0.00 H new ATOM 0 HA LYS A 410 8.000 -14.428 4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 410 6.503 -12.851 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.169 -13.099 6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 410 8.600 -10.948 5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 410 6.891 -10.669 5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 410 8.658 -11.334 7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 410 8.703 -9.715 7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 410 7.038 -9.533 8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 410 6.102 -9.780 7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 5.616 -11.179 9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 5.559 -11.920 7.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 6.918 -12.130 8.814 1.00 0.00 H new ATOM 959 N GLY A 411 6.343 -12.038 3.100 1.00 0.00 N ATOM 960 CA GLY A 411 5.212 -11.812 2.218 1.00 0.00 C ATOM 961 C GLY A 411 4.691 -10.391 2.296 1.00 0.00 C ATOM 962 O GLY A 411 3.939 -9.950 1.426 1.00 0.00 O ATOM 0 H GLY A 411 6.897 -11.207 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 411 5.506 -12.032 1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 411 4.410 -12.504 2.475 1.00 0.00 H new ATOM 966 N ASP A 412 5.087 -9.674 3.341 1.00 0.00 N ATOM 967 CA ASP A 412 4.654 -8.294 3.530 1.00 0.00 C ATOM 968 C ASP A 412 5.591 -7.327 2.813 1.00 0.00 C ATOM 969 O ASP A 412 6.747 -7.653 2.542 1.00 0.00 O ATOM 970 CB ASP A 412 4.595 -7.955 5.021 1.00 0.00 C ATOM 971 CG ASP A 412 5.956 -8.022 5.684 1.00 0.00 C ATOM 972 OD1 ASP A 412 6.908 -8.505 5.036 1.00 0.00 O ATOM 973 OD2 ASP A 412 6.069 -7.592 6.851 1.00 0.00 O ATOM 0 H ASP A 412 5.707 -10.025 4.071 1.00 0.00 H new ATOM 0 HA ASP A 412 3.657 -8.190 3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 412 4.182 -6.954 5.147 1.00 0.00 H new ATOM 0 HB3 ASP A 412 3.916 -8.646 5.521 1.00 0.00 H new ATOM 978 N ALA A 413 5.084 -6.137 2.507 1.00 0.00 N ATOM 979 CA ALA A 413 5.876 -5.123 1.822 1.00 0.00 C ATOM 980 C ALA A 413 5.153 -3.781 1.805 1.00 0.00 C ATOM 981 O ALA A 413 3.986 -3.686 2.189 1.00 0.00 O ATOM 982 CB ALA A 413 6.194 -5.571 0.403 1.00 0.00 C ATOM 0 H ALA A 413 4.129 -5.852 2.723 1.00 0.00 H new ATOM 0 HA ALA A 413 6.810 -4.996 2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 413 6.786 -4.804 -0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 413 6.759 -6.503 0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 413 5.265 -5.728 -0.146 1.00 0.00 H new ATOM 988 N THR A 414 5.852 -2.742 1.359 1.00 0.00 N ATOM 989 CA THR A 414 5.277 -1.405 1.293 1.00 0.00 C ATOM 990 C THR A 414 5.693 -0.689 0.013 1.00 0.00 C ATOM 991 O THR A 414 6.823 -0.834 -0.453 1.00 0.00 O ATOM 992 CB THR A 414 5.699 -0.551 2.505 1.00 0.00 C ATOM 993 OG1 THR A 414 6.983 -0.975 2.977 1.00 0.00 O ATOM 994 CG2 THR A 414 4.677 -0.663 3.626 1.00 0.00 C ATOM 0 H THR A 414 6.818 -2.801 1.038 1.00 0.00 H new ATOM 0 HA THR A 414 4.194 -1.527 1.302 1.00 0.00 H new ATOM 0 HB THR A 414 5.754 0.491 2.189 1.00 0.00 H new ATOM 0 HG1 THR A 414 7.246 -0.427 3.746 1.00 0.00 H new ATOM 0 HG21 THR A 414 4.995 -0.052 4.471 1.00 0.00 H new ATOM 0 HG22 THR A 414 3.707 -0.314 3.271 1.00 0.00 H new ATOM 0 HG23 THR A 414 4.595 -1.703 3.941 1.00 0.00 H new ATOM 1002 N VAL A 415 4.772 0.085 -0.553 1.00 0.00 N ATOM 1003 CA VAL A 415 5.044 0.825 -1.779 1.00 0.00 C ATOM 1004 C VAL A 415 4.645 2.289 -1.637 1.00 0.00 C ATOM 1005 O VAL A 415 3.462 2.615 -1.537 1.00 0.00 O ATOM 1006 CB VAL A 415 4.298 0.215 -2.980 1.00 0.00 C ATOM 1007 CG1 VAL A 415 4.631 0.972 -4.257 1.00 0.00 C ATOM 1008 CG2 VAL A 415 4.634 -1.261 -3.122 1.00 0.00 C ATOM 0 H VAL A 415 3.831 0.216 -0.182 1.00 0.00 H new ATOM 0 HA VAL A 415 6.117 0.760 -1.957 1.00 0.00 H new ATOM 0 HB VAL A 415 3.226 0.304 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 415 4.094 0.526 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 415 4.334 2.015 -4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 415 5.704 0.918 -4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 415 4.098 -1.676 -3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 415 5.707 -1.377 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 415 4.338 -1.790 -2.216 1.00 0.00 H new ATOM 1018 N SER A 416 5.640 3.170 -1.630 1.00 0.00 N ATOM 1019 CA SER A 416 5.393 4.602 -1.497 1.00 0.00 C ATOM 1020 C SER A 416 5.144 5.239 -2.860 1.00 0.00 C ATOM 1021 O SER A 416 6.035 5.286 -3.709 1.00 0.00 O ATOM 1022 CB SER A 416 6.579 5.283 -0.812 1.00 0.00 C ATOM 1023 OG SER A 416 6.546 5.079 0.590 1.00 0.00 O ATOM 0 H SER A 416 6.625 2.918 -1.715 1.00 0.00 H new ATOM 0 HA SER A 416 4.502 4.737 -0.884 1.00 0.00 H new ATOM 0 HB2 SER A 416 7.511 4.890 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A 416 6.563 6.351 -1.027 1.00 0.00 H new ATOM 0 HG SER A 416 7.316 5.523 1.003 1.00 0.00 H new ATOM 1029 N TYR A 417 3.925 5.729 -3.062 1.00 0.00 N ATOM 1030 CA TYR A 417 3.556 6.361 -4.323 1.00 0.00 C ATOM 1031 C TYR A 417 3.885 7.851 -4.303 1.00 0.00 C ATOM 1032 O TYR A 417 4.121 8.430 -3.243 1.00 0.00 O ATOM 1033 CB TYR A 417 2.065 6.161 -4.601 1.00 0.00 C ATOM 1034 CG TYR A 417 1.724 4.777 -5.106 1.00 0.00 C ATOM 1035 CD1 TYR A 417 2.031 4.394 -6.405 1.00 0.00 C ATOM 1036 CD2 TYR A 417 1.094 3.851 -4.282 1.00 0.00 C ATOM 1037 CE1 TYR A 417 1.721 3.131 -6.871 1.00 0.00 C ATOM 1038 CE2 TYR A 417 0.781 2.585 -4.738 1.00 0.00 C ATOM 1039 CZ TYR A 417 1.096 2.230 -6.034 1.00 0.00 C ATOM 1040 OH TYR A 417 0.787 0.971 -6.493 1.00 0.00 O ATOM 0 H TYR A 417 3.177 5.700 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 417 4.134 5.890 -5.118 1.00 0.00 H new ATOM 0 HB2 TYR A 417 1.504 6.353 -3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 417 1.739 6.897 -5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 417 2.521 5.096 -7.063 1.00 0.00 H new ATOM 0 HD2 TYR A 417 0.845 4.126 -3.268 1.00 0.00 H new ATOM 0 HE1 TYR A 417 1.967 2.851 -7.885 1.00 0.00 H new ATOM 0 HE2 TYR A 417 0.293 1.877 -4.084 1.00 0.00 H new ATOM 0 HH TYR A 417 1.077 0.882 -7.425 1.00 0.00 H new ATOM 1050 N GLU A 418 3.897 8.464 -5.482 1.00 0.00 N ATOM 1051 CA GLU A 418 4.197 9.886 -5.599 1.00 0.00 C ATOM 1052 C GLU A 418 3.181 10.722 -4.827 1.00 0.00 C ATOM 1053 O GLU A 418 3.529 11.414 -3.870 1.00 0.00 O ATOM 1054 CB GLU A 418 4.209 10.307 -7.071 1.00 0.00 C ATOM 1055 CG GLU A 418 4.891 9.304 -7.986 1.00 0.00 C ATOM 1056 CD GLU A 418 5.538 9.960 -9.191 1.00 0.00 C ATOM 1057 OE1 GLU A 418 6.355 10.884 -8.994 1.00 0.00 O ATOM 1058 OE2 GLU A 418 5.226 9.550 -10.328 1.00 0.00 O ATOM 0 H GLU A 418 3.703 7.999 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 418 5.184 10.060 -5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 418 3.182 10.453 -7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 418 4.713 11.269 -7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.649 8.760 -7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 418 4.159 8.571 -8.325 1.00 0.00 H new ATOM 1065 N ASP A 419 1.923 10.653 -5.251 1.00 0.00 N ATOM 1066 CA ASP A 419 0.855 11.403 -4.599 1.00 0.00 C ATOM 1067 C ASP A 419 -0.166 10.459 -3.971 1.00 0.00 C ATOM 1068 O ASP A 419 -0.313 9.306 -4.376 1.00 0.00 O ATOM 1069 CB ASP A 419 0.165 12.325 -5.605 1.00 0.00 C ATOM 1070 CG ASP A 419 1.144 12.971 -6.566 1.00 0.00 C ATOM 1071 OD1 ASP A 419 2.229 13.392 -6.113 1.00 0.00 O ATOM 1072 OD2 ASP A 419 0.825 13.057 -7.770 1.00 0.00 O ATOM 0 H ASP A 419 1.618 10.086 -6.042 1.00 0.00 H new ATOM 0 HA ASP A 419 1.298 12.008 -3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 419 -0.571 11.754 -6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 419 -0.378 13.102 -5.068 1.00 0.00 H new ATOM 1077 N PRO A 420 -0.888 10.959 -2.957 1.00 0.00 N ATOM 1078 CA PRO A 420 -1.907 10.177 -2.251 1.00 0.00 C ATOM 1079 C PRO A 420 -2.985 9.647 -3.190 1.00 0.00 C ATOM 1080 O PRO A 420 -3.411 8.496 -3.097 1.00 0.00 O ATOM 1081 CB PRO A 420 -2.504 11.183 -1.263 1.00 0.00 C ATOM 1082 CG PRO A 420 -1.464 12.240 -1.124 1.00 0.00 C ATOM 1083 CD PRO A 420 -0.764 12.326 -2.421 1.00 0.00 C ATOM 0 HA PRO A 420 -1.485 9.291 -1.776 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -3.441 11.596 -1.636 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -2.722 10.714 -0.304 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -1.918 13.197 -0.866 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -0.766 11.992 -0.324 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -1.225 13.061 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 420 0.279 12.618 -2.298 1.00 0.00 H new ATOM 1091 N PRO A 421 -3.438 10.505 -4.115 1.00 0.00 N ATOM 1092 CA PRO A 421 -4.473 10.145 -5.090 1.00 0.00 C ATOM 1093 C PRO A 421 -4.163 8.835 -5.805 1.00 0.00 C ATOM 1094 O PRO A 421 -5.070 8.109 -6.215 1.00 0.00 O ATOM 1095 CB PRO A 421 -4.450 11.313 -6.080 1.00 0.00 C ATOM 1096 CG PRO A 421 -3.911 12.462 -5.298 1.00 0.00 C ATOM 1097 CD PRO A 421 -2.975 11.893 -4.282 1.00 0.00 C ATOM 0 HA PRO A 421 -5.443 9.989 -4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 421 -3.820 11.090 -6.941 1.00 0.00 H new ATOM 0 HB3 PRO A 421 -5.448 11.528 -6.462 1.00 0.00 H new ATOM 0 HG2 PRO A 421 -3.392 13.164 -5.951 1.00 0.00 H new ATOM 0 HG3 PRO A 421 -4.718 13.013 -4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 421 -1.941 11.931 -4.625 1.00 0.00 H new ATOM 0 HD3 PRO A 421 -3.020 12.445 -3.343 1.00 0.00 H new ATOM 1105 N THR A 422 -2.876 8.535 -5.953 1.00 0.00 N ATOM 1106 CA THR A 422 -2.448 7.312 -6.619 1.00 0.00 C ATOM 1107 C THR A 422 -2.402 6.142 -5.644 1.00 0.00 C ATOM 1108 O THR A 422 -2.785 5.023 -5.985 1.00 0.00 O ATOM 1109 CB THR A 422 -1.059 7.483 -7.266 1.00 0.00 C ATOM 1110 OG1 THR A 422 -1.077 8.582 -8.182 1.00 0.00 O ATOM 1111 CG2 THR A 422 -0.644 6.214 -7.996 1.00 0.00 C ATOM 0 H THR A 422 -2.112 9.123 -5.620 1.00 0.00 H new ATOM 0 HA THR A 422 -3.181 7.102 -7.398 1.00 0.00 H new ATOM 0 HB THR A 422 -0.336 7.683 -6.475 1.00 0.00 H new ATOM 0 HG1 THR A 422 -0.191 8.685 -8.587 1.00 0.00 H new ATOM 0 HG21 THR A 422 0.339 6.357 -8.445 1.00 0.00 H new ATOM 0 HG22 THR A 422 -0.603 5.385 -7.290 1.00 0.00 H new ATOM 0 HG23 THR A 422 -1.370 5.990 -8.777 1.00 0.00 H new ATOM 1119 N ALA A 423 -1.930 6.407 -4.430 1.00 0.00 N ATOM 1120 CA ALA A 423 -1.837 5.376 -3.405 1.00 0.00 C ATOM 1121 C ALA A 423 -3.214 4.821 -3.057 1.00 0.00 C ATOM 1122 O ALA A 423 -3.427 3.609 -3.062 1.00 0.00 O ATOM 1123 CB ALA A 423 -1.158 5.928 -2.160 1.00 0.00 C ATOM 0 H ALA A 423 -1.606 7.327 -4.133 1.00 0.00 H new ATOM 0 HA ALA A 423 -1.235 4.559 -3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 423 -1.096 5.146 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 423 -0.154 6.268 -2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 423 -1.737 6.765 -1.770 1.00 0.00 H new ATOM 1129 N LYS A 424 -4.148 5.717 -2.755 1.00 0.00 N ATOM 1130 CA LYS A 424 -5.507 5.319 -2.404 1.00 0.00 C ATOM 1131 C LYS A 424 -6.150 4.525 -3.537 1.00 0.00 C ATOM 1132 O LYS A 424 -6.917 3.593 -3.296 1.00 0.00 O ATOM 1133 CB LYS A 424 -6.354 6.552 -2.085 1.00 0.00 C ATOM 1134 CG LYS A 424 -5.893 7.305 -0.849 1.00 0.00 C ATOM 1135 CD LYS A 424 -6.579 8.655 -0.730 1.00 0.00 C ATOM 1136 CE LYS A 424 -5.791 9.745 -1.441 1.00 0.00 C ATOM 1137 NZ LYS A 424 -6.590 10.992 -1.599 1.00 0.00 N ATOM 0 H LYS A 424 -3.989 6.724 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.457 4.682 -1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -6.333 7.228 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -7.391 6.244 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -6.103 6.710 0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -4.813 7.447 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -7.581 8.594 -1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -6.693 8.915 0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -4.884 9.964 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -5.479 9.387 -2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -6.019 11.711 -2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -7.443 10.789 -2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -6.867 11.348 -0.662 1.00 0.00 H new ATOM 1151 N ALA A 425 -5.830 4.899 -4.771 1.00 0.00 N ATOM 1152 CA ALA A 425 -6.375 4.220 -5.941 1.00 0.00 C ATOM 1153 C ALA A 425 -5.667 2.891 -6.182 1.00 0.00 C ATOM 1154 O ALA A 425 -6.267 1.938 -6.679 1.00 0.00 O ATOM 1155 CB ALA A 425 -6.262 5.111 -7.168 1.00 0.00 C ATOM 0 H ALA A 425 -5.196 5.668 -4.987 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.428 4.012 -5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -6.673 4.592 -8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -6.818 6.033 -7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -5.214 5.348 -7.350 1.00 0.00 H new ATOM 1161 N ALA A 426 -4.387 2.835 -5.828 1.00 0.00 N ATOM 1162 CA ALA A 426 -3.599 1.621 -6.005 1.00 0.00 C ATOM 1163 C ALA A 426 -4.014 0.546 -5.008 1.00 0.00 C ATOM 1164 O ALA A 426 -3.990 -0.646 -5.318 1.00 0.00 O ATOM 1165 CB ALA A 426 -2.116 1.931 -5.862 1.00 0.00 C ATOM 0 H ALA A 426 -3.874 3.615 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 426 -3.786 1.239 -7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 426 -1.539 1.016 -5.996 1.00 0.00 H new ATOM 0 HB2 ALA A 426 -1.822 2.660 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 426 -1.924 2.339 -4.870 1.00 0.00 H new ATOM 1171 N VAL A 427 -4.396 0.972 -3.808 1.00 0.00 N ATOM 1172 CA VAL A 427 -4.818 0.045 -2.765 1.00 0.00 C ATOM 1173 C VAL A 427 -5.942 -0.861 -3.257 1.00 0.00 C ATOM 1174 O VAL A 427 -5.795 -2.082 -3.295 1.00 0.00 O ATOM 1175 CB VAL A 427 -5.291 0.794 -1.506 1.00 0.00 C ATOM 1176 CG1 VAL A 427 -5.797 -0.186 -0.459 1.00 0.00 C ATOM 1177 CG2 VAL A 427 -4.169 1.655 -0.945 1.00 0.00 C ATOM 0 H VAL A 427 -4.422 1.954 -3.534 1.00 0.00 H new ATOM 0 HA VAL A 427 -3.950 -0.563 -2.512 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.117 1.449 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -6.127 0.362 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -6.633 -0.754 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.994 -0.869 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.521 2.177 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.321 1.022 -0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -3.860 2.383 -1.695 1.00 0.00 H new ATOM 1187 N GLU A 428 -7.062 -0.253 -3.633 1.00 0.00 N ATOM 1188 CA GLU A 428 -8.211 -1.006 -4.123 1.00 0.00 C ATOM 1189 C GLU A 428 -7.895 -1.676 -5.457 1.00 0.00 C ATOM 1190 O GLU A 428 -8.621 -2.563 -5.906 1.00 0.00 O ATOM 1191 CB GLU A 428 -9.424 -0.086 -4.278 1.00 0.00 C ATOM 1192 CG GLU A 428 -9.929 0.481 -2.961 1.00 0.00 C ATOM 1193 CD GLU A 428 -10.977 -0.402 -2.310 1.00 0.00 C ATOM 1194 OE1 GLU A 428 -11.847 -0.926 -3.036 1.00 0.00 O ATOM 1195 OE2 GLU A 428 -10.925 -0.569 -1.073 1.00 0.00 O ATOM 0 H GLU A 428 -7.199 0.757 -3.608 1.00 0.00 H new ATOM 0 HA GLU A 428 -8.442 -1.781 -3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 428 -9.162 0.738 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 428 -10.230 -0.640 -4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 428 -9.089 0.606 -2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 428 -10.350 1.472 -3.134 1.00 0.00 H new ATOM 1202 N TRP A 429 -6.807 -1.244 -6.086 1.00 0.00 N ATOM 1203 CA TRP A 429 -6.394 -1.802 -7.368 1.00 0.00 C ATOM 1204 C TRP A 429 -5.712 -3.153 -7.181 1.00 0.00 C ATOM 1205 O TRP A 429 -6.081 -4.139 -7.819 1.00 0.00 O ATOM 1206 CB TRP A 429 -5.451 -0.835 -8.088 1.00 0.00 C ATOM 1207 CG TRP A 429 -4.760 -1.448 -9.267 1.00 0.00 C ATOM 1208 CD1 TRP A 429 -3.941 -2.541 -9.261 1.00 0.00 C ATOM 1209 CD2 TRP A 429 -4.825 -1.001 -10.626 1.00 0.00 C ATOM 1210 NE1 TRP A 429 -3.494 -2.801 -10.535 1.00 0.00 N ATOM 1211 CE2 TRP A 429 -4.023 -1.871 -11.390 1.00 0.00 C ATOM 1212 CE3 TRP A 429 -5.484 0.048 -11.272 1.00 0.00 C ATOM 1213 CZ2 TRP A 429 -3.862 -1.721 -12.765 1.00 0.00 C ATOM 1214 CZ3 TRP A 429 -5.325 0.196 -12.637 1.00 0.00 C ATOM 1215 CH2 TRP A 429 -4.520 -0.685 -13.372 1.00 0.00 C ATOM 0 H TRP A 429 -6.196 -0.510 -5.729 1.00 0.00 H new ATOM 0 HA TRP A 429 -7.286 -1.949 -7.976 1.00 0.00 H new ATOM 0 HB2 TRP A 429 -6.018 0.035 -8.420 1.00 0.00 H new ATOM 0 HB3 TRP A 429 -4.701 -0.477 -7.382 1.00 0.00 H new ATOM 0 HD1 TRP A 429 -3.682 -3.116 -8.384 1.00 0.00 H new ATOM 0 HE1 TRP A 429 -2.870 -3.563 -10.800 1.00 0.00 H new ATOM 0 HE3 TRP A 429 -6.107 0.732 -10.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 429 -3.240 -2.398 -13.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 429 -5.830 1.004 -13.146 1.00 0.00 H new ATOM 0 HH2 TRP A 429 -4.417 -0.544 -14.438 1.00 0.00 H new ATOM 1226 N PHE A 430 -4.715 -3.191 -6.304 1.00 0.00 N ATOM 1227 CA PHE A 430 -3.981 -4.421 -6.033 1.00 0.00 C ATOM 1228 C PHE A 430 -4.626 -5.199 -4.889 1.00 0.00 C ATOM 1229 O PHE A 430 -4.367 -6.389 -4.711 1.00 0.00 O ATOM 1230 CB PHE A 430 -2.523 -4.105 -5.692 1.00 0.00 C ATOM 1231 CG PHE A 430 -1.799 -3.367 -6.781 1.00 0.00 C ATOM 1232 CD1 PHE A 430 -1.291 -4.046 -7.877 1.00 0.00 C ATOM 1233 CD2 PHE A 430 -1.626 -1.994 -6.709 1.00 0.00 C ATOM 1234 CE1 PHE A 430 -0.625 -3.369 -8.882 1.00 0.00 C ATOM 1235 CE2 PHE A 430 -0.961 -1.312 -7.710 1.00 0.00 C ATOM 1236 CZ PHE A 430 -0.458 -2.001 -8.797 1.00 0.00 C ATOM 0 H PHE A 430 -4.397 -2.383 -5.768 1.00 0.00 H new ATOM 0 HA PHE A 430 -4.011 -5.038 -6.931 1.00 0.00 H new ATOM 0 HB2 PHE A 430 -2.492 -3.511 -4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 430 -1.997 -5.037 -5.484 1.00 0.00 H new ATOM 0 HD1 PHE A 430 -1.417 -5.116 -7.947 1.00 0.00 H new ATOM 0 HD2 PHE A 430 -2.015 -1.451 -5.861 1.00 0.00 H new ATOM 0 HE1 PHE A 430 -0.236 -3.909 -9.732 1.00 0.00 H new ATOM 0 HE2 PHE A 430 -0.835 -0.242 -7.643 1.00 0.00 H new ATOM 0 HZ PHE A 430 0.065 -1.470 -9.579 1.00 0.00 H new ATOM 1246 N ASP A 431 -5.465 -4.517 -4.118 1.00 0.00 N ATOM 1247 CA ASP A 431 -6.149 -5.143 -2.991 1.00 0.00 C ATOM 1248 C ASP A 431 -6.960 -6.350 -3.451 1.00 0.00 C ATOM 1249 O ASP A 431 -8.063 -6.206 -3.978 1.00 0.00 O ATOM 1250 CB ASP A 431 -7.062 -4.134 -2.297 1.00 0.00 C ATOM 1251 CG ASP A 431 -8.089 -4.801 -1.403 1.00 0.00 C ATOM 1252 OD1 ASP A 431 -7.749 -5.122 -0.245 1.00 0.00 O ATOM 1253 OD2 ASP A 431 -9.233 -5.001 -1.861 1.00 0.00 O ATOM 0 H ASP A 431 -5.688 -3.531 -4.252 1.00 0.00 H new ATOM 0 HA ASP A 431 -5.394 -5.484 -2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 431 -6.457 -3.450 -1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 431 -7.574 -3.535 -3.049 1.00 0.00 H new ATOM 1258 N GLY A 432 -6.407 -7.542 -3.249 1.00 0.00 N ATOM 1259 CA GLY A 432 -7.092 -8.757 -3.649 1.00 0.00 C ATOM 1260 C GLY A 432 -6.554 -9.326 -4.946 1.00 0.00 C ATOM 1261 O GLY A 432 -7.175 -10.196 -5.557 1.00 0.00 O ATOM 0 H GLY A 432 -5.496 -7.688 -2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 432 -6.993 -9.503 -2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 432 -8.156 -8.550 -3.760 1.00 0.00 H new ATOM 1265 N LYS A 433 -5.395 -8.833 -5.370 1.00 0.00 N ATOM 1266 CA LYS A 433 -4.772 -9.297 -6.605 1.00 0.00 C ATOM 1267 C LYS A 433 -4.220 -10.709 -6.439 1.00 0.00 C ATOM 1268 O LYS A 433 -4.349 -11.314 -5.375 1.00 0.00 O ATOM 1269 CB LYS A 433 -3.649 -8.344 -7.023 1.00 0.00 C ATOM 1270 CG LYS A 433 -4.112 -7.219 -7.932 1.00 0.00 C ATOM 1271 CD LYS A 433 -4.531 -7.742 -9.296 1.00 0.00 C ATOM 1272 CE LYS A 433 -4.707 -6.609 -10.296 1.00 0.00 C ATOM 1273 NZ LYS A 433 -3.404 -6.000 -10.680 1.00 0.00 N ATOM 0 H LYS A 433 -4.868 -8.112 -4.877 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.535 -9.314 -7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -3.197 -7.915 -6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -2.871 -8.914 -7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -4.949 -6.696 -7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -3.309 -6.492 -8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -3.781 -8.442 -9.665 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -5.465 -8.296 -9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -5.208 -6.986 -11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -5.353 -5.843 -9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -3.498 -5.532 -11.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -3.124 -5.300 -9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -2.678 -6.742 -10.741 1.00 0.00 H new ATOM 1287 N ASP A 434 -3.605 -11.227 -7.496 1.00 0.00 N ATOM 1288 CA ASP A 434 -3.031 -12.567 -7.466 1.00 0.00 C ATOM 1289 C ASP A 434 -1.600 -12.557 -7.992 1.00 0.00 C ATOM 1290 O ASP A 434 -1.371 -12.491 -9.200 1.00 0.00 O ATOM 1291 CB ASP A 434 -3.885 -13.530 -8.293 1.00 0.00 C ATOM 1292 CG ASP A 434 -5.115 -14.002 -7.544 1.00 0.00 C ATOM 1293 OD1 ASP A 434 -5.982 -13.159 -7.236 1.00 0.00 O ATOM 1294 OD2 ASP A 434 -5.210 -15.216 -7.264 1.00 0.00 O ATOM 0 H ASP A 434 -3.491 -10.739 -8.385 1.00 0.00 H new ATOM 0 HA ASP A 434 -3.016 -12.906 -6.430 1.00 0.00 H new ATOM 0 HB2 ASP A 434 -4.192 -13.038 -9.216 1.00 0.00 H new ATOM 0 HB3 ASP A 434 -3.283 -14.393 -8.577 1.00 0.00 H new ATOM 1299 N PHE A 435 -0.637 -12.622 -7.077 1.00 0.00 N ATOM 1300 CA PHE A 435 0.773 -12.618 -7.449 1.00 0.00 C ATOM 1301 C PHE A 435 1.361 -14.023 -7.364 1.00 0.00 C ATOM 1302 O PHE A 435 1.481 -14.592 -6.279 1.00 0.00 O ATOM 1303 CB PHE A 435 1.558 -11.668 -6.543 1.00 0.00 C ATOM 1304 CG PHE A 435 2.759 -11.059 -7.209 1.00 0.00 C ATOM 1305 CD1 PHE A 435 3.989 -11.694 -7.162 1.00 0.00 C ATOM 1306 CD2 PHE A 435 2.656 -9.852 -7.882 1.00 0.00 C ATOM 1307 CE1 PHE A 435 5.096 -11.136 -7.775 1.00 0.00 C ATOM 1308 CE2 PHE A 435 3.758 -9.290 -8.496 1.00 0.00 C ATOM 1309 CZ PHE A 435 4.981 -9.933 -8.442 1.00 0.00 C ATOM 0 H PHE A 435 -0.808 -12.678 -6.073 1.00 0.00 H new ATOM 0 HA PHE A 435 0.851 -12.273 -8.480 1.00 0.00 H new ATOM 0 HB2 PHE A 435 0.896 -10.870 -6.206 1.00 0.00 H new ATOM 0 HB3 PHE A 435 1.881 -12.210 -5.655 1.00 0.00 H new ATOM 0 HD1 PHE A 435 4.085 -12.635 -6.641 1.00 0.00 H new ATOM 0 HD2 PHE A 435 1.703 -9.345 -7.927 1.00 0.00 H new ATOM 0 HE1 PHE A 435 6.050 -11.641 -7.732 1.00 0.00 H new ATOM 0 HE2 PHE A 435 3.665 -8.349 -9.018 1.00 0.00 H new ATOM 0 HZ PHE A 435 5.844 -9.495 -8.921 1.00 0.00 H new ATOM 1319 N GLN A 436 1.727 -14.577 -8.515 1.00 0.00 N ATOM 1320 CA GLN A 436 2.301 -15.916 -8.572 1.00 0.00 C ATOM 1321 C GLN A 436 1.338 -16.946 -7.992 1.00 0.00 C ATOM 1322 O GLN A 436 1.757 -17.989 -7.491 1.00 0.00 O ATOM 1323 CB GLN A 436 3.629 -15.956 -7.812 1.00 0.00 C ATOM 1324 CG GLN A 436 4.794 -15.367 -8.590 1.00 0.00 C ATOM 1325 CD GLN A 436 6.136 -15.687 -7.963 1.00 0.00 C ATOM 1326 OE1 GLN A 436 6.436 -16.844 -7.669 1.00 0.00 O ATOM 1327 NE2 GLN A 436 6.953 -14.661 -7.755 1.00 0.00 N ATOM 0 H GLN A 436 1.636 -14.119 -9.422 1.00 0.00 H new ATOM 0 HA GLN A 436 2.481 -16.164 -9.618 1.00 0.00 H new ATOM 0 HB2 GLN A 436 3.518 -15.412 -6.874 1.00 0.00 H new ATOM 0 HB3 GLN A 436 3.860 -16.990 -7.555 1.00 0.00 H new ATOM 0 HG2 GLN A 436 4.774 -15.749 -9.611 1.00 0.00 H new ATOM 0 HG3 GLN A 436 4.675 -14.285 -8.652 1.00 0.00 H new ATOM 0 HE21 GLN A 436 6.664 -13.718 -8.014 1.00 0.00 H new ATOM 0 HE22 GLN A 436 7.870 -14.816 -7.336 1.00 0.00 H new ATOM 1336 N GLY A 437 0.044 -16.646 -8.063 1.00 0.00 N ATOM 1337 CA GLY A 437 -0.957 -17.557 -7.541 1.00 0.00 C ATOM 1338 C GLY A 437 -1.385 -17.200 -6.131 1.00 0.00 C ATOM 1339 O GLY A 437 -2.421 -17.664 -5.654 1.00 0.00 O ATOM 0 H GLY A 437 -0.328 -15.789 -8.472 1.00 0.00 H new ATOM 0 HA2 GLY A 437 -1.829 -17.548 -8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 437 -0.561 -18.572 -7.551 1.00 0.00 H new ATOM 1343 N SER A 438 -0.587 -16.375 -5.462 1.00 0.00 N ATOM 1344 CA SER A 438 -0.886 -15.962 -4.096 1.00 0.00 C ATOM 1345 C SER A 438 -1.720 -14.684 -4.086 1.00 0.00 C ATOM 1346 O SER A 438 -1.620 -13.856 -4.990 1.00 0.00 O ATOM 1347 CB SER A 438 0.409 -15.744 -3.311 1.00 0.00 C ATOM 1348 OG SER A 438 1.011 -16.981 -2.969 1.00 0.00 O ATOM 0 H SER A 438 0.272 -15.979 -5.844 1.00 0.00 H new ATOM 0 HA SER A 438 -1.462 -16.756 -3.620 1.00 0.00 H new ATOM 0 HB2 SER A 438 1.103 -15.150 -3.906 1.00 0.00 H new ATOM 0 HB3 SER A 438 0.198 -15.176 -2.405 1.00 0.00 H new ATOM 0 HG SER A 438 1.838 -16.815 -2.469 1.00 0.00 H new ATOM 1354 N LYS A 439 -2.544 -14.532 -3.055 1.00 0.00 N ATOM 1355 CA LYS A 439 -3.397 -13.357 -2.923 1.00 0.00 C ATOM 1356 C LYS A 439 -2.664 -12.231 -2.200 1.00 0.00 C ATOM 1357 O LYS A 439 -2.026 -12.453 -1.170 1.00 0.00 O ATOM 1358 CB LYS A 439 -4.679 -13.712 -2.168 1.00 0.00 C ATOM 1359 CG LYS A 439 -5.837 -12.773 -2.459 1.00 0.00 C ATOM 1360 CD LYS A 439 -7.159 -13.357 -1.991 1.00 0.00 C ATOM 1361 CE LYS A 439 -7.807 -14.206 -3.073 1.00 0.00 C ATOM 1362 NZ LYS A 439 -9.289 -14.252 -2.931 1.00 0.00 N ATOM 0 H LYS A 439 -2.639 -15.209 -2.298 1.00 0.00 H new ATOM 0 HA LYS A 439 -3.657 -13.014 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 439 -4.973 -14.729 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 439 -4.475 -13.702 -1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -5.665 -11.817 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 439 -5.885 -12.574 -3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 439 -6.995 -13.964 -1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 439 -7.834 -12.550 -1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 439 -7.549 -13.804 -4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 439 -7.407 -15.219 -3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 -9.692 -14.841 -3.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 -9.537 -14.659 -2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 -9.674 -13.288 -3.000 1.00 0.00 H new ATOM 1376 N LEU A 440 -2.758 -11.023 -2.745 1.00 0.00 N ATOM 1377 CA LEU A 440 -2.105 -9.862 -2.150 1.00 0.00 C ATOM 1378 C LEU A 440 -3.112 -8.995 -1.400 1.00 0.00 C ATOM 1379 O LEU A 440 -4.256 -8.839 -1.830 1.00 0.00 O ATOM 1380 CB LEU A 440 -1.408 -9.035 -3.231 1.00 0.00 C ATOM 1381 CG LEU A 440 -0.536 -9.815 -4.215 1.00 0.00 C ATOM 1382 CD1 LEU A 440 0.480 -8.895 -4.873 1.00 0.00 C ATOM 1383 CD2 LEU A 440 0.164 -10.967 -3.509 1.00 0.00 C ATOM 0 H LEU A 440 -3.280 -10.822 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 440 -1.361 -10.220 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 440 -2.169 -8.499 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 440 -0.787 -8.284 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 440 -1.179 -10.228 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 440 1.092 -9.468 -5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 440 -0.041 -8.104 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 440 1.119 -8.453 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 440 0.780 -11.511 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 440 0.795 -10.575 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 440 -0.581 -11.641 -3.085 1.00 0.00 H new ATOM 1395 N LYS A 441 -2.680 -8.432 -0.278 1.00 0.00 N ATOM 1396 CA LYS A 441 -3.540 -7.577 0.531 1.00 0.00 C ATOM 1397 C LYS A 441 -2.940 -6.182 0.679 1.00 0.00 C ATOM 1398 O LYS A 441 -2.027 -5.970 1.478 1.00 0.00 O ATOM 1399 CB LYS A 441 -3.758 -8.199 1.912 1.00 0.00 C ATOM 1400 CG LYS A 441 -4.809 -9.295 1.926 1.00 0.00 C ATOM 1401 CD LYS A 441 -4.198 -10.657 1.642 1.00 0.00 C ATOM 1402 CE LYS A 441 -3.640 -11.292 2.906 1.00 0.00 C ATOM 1403 NZ LYS A 441 -4.712 -11.895 3.744 1.00 0.00 N ATOM 0 H LYS A 441 -1.737 -8.552 0.093 1.00 0.00 H new ATOM 0 HA LYS A 441 -4.500 -7.487 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 441 -2.813 -8.608 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 441 -4.052 -7.416 2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 441 -5.305 -9.313 2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 441 -5.574 -9.076 1.181 1.00 0.00 H new ATOM 0 HD2 LYS A 441 -4.953 -11.312 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 441 -3.403 -10.553 0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 441 -2.915 -12.060 2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 441 -3.107 -10.539 3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 441 -4.386 -11.962 4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 441 -5.563 -11.299 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 441 -4.937 -12.846 3.388 1.00 0.00 H new ATOM 1417 N VAL A 442 -3.457 -5.234 -0.096 1.00 0.00 N ATOM 1418 CA VAL A 442 -2.972 -3.860 -0.049 1.00 0.00 C ATOM 1419 C VAL A 442 -3.853 -2.998 0.848 1.00 0.00 C ATOM 1420 O VAL A 442 -5.079 -3.029 0.748 1.00 0.00 O ATOM 1421 CB VAL A 442 -2.923 -3.234 -1.455 1.00 0.00 C ATOM 1422 CG1 VAL A 442 -2.219 -1.887 -1.416 1.00 0.00 C ATOM 1423 CG2 VAL A 442 -2.238 -4.176 -2.433 1.00 0.00 C ATOM 0 H VAL A 442 -4.212 -5.392 -0.764 1.00 0.00 H new ATOM 0 HA VAL A 442 -1.963 -3.894 0.361 1.00 0.00 H new ATOM 0 HB VAL A 442 -3.945 -3.072 -1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 442 -2.194 -1.460 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 442 -2.757 -1.214 -0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 442 -1.200 -2.019 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 442 -2.212 -3.718 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 442 -1.220 -4.372 -2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 442 -2.791 -5.114 -2.482 1.00 0.00 H new ATOM 1433 N SER A 443 -3.219 -2.228 1.728 1.00 0.00 N ATOM 1434 CA SER A 443 -3.944 -1.358 2.647 1.00 0.00 C ATOM 1435 C SER A 443 -3.079 -0.176 3.071 1.00 0.00 C ATOM 1436 O SER A 443 -1.942 -0.349 3.511 1.00 0.00 O ATOM 1437 CB SER A 443 -4.392 -2.145 3.879 1.00 0.00 C ATOM 1438 OG SER A 443 -5.086 -3.324 3.507 1.00 0.00 O ATOM 0 H SER A 443 -2.204 -2.189 1.824 1.00 0.00 H new ATOM 0 HA SER A 443 -4.824 -0.975 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 443 -3.523 -2.406 4.483 1.00 0.00 H new ATOM 0 HB3 SER A 443 -5.036 -1.521 4.499 1.00 0.00 H new ATOM 0 HG SER A 443 -5.360 -3.810 4.313 1.00 0.00 H new ATOM 1444 N LEU A 444 -3.627 1.027 2.937 1.00 0.00 N ATOM 1445 CA LEU A 444 -2.907 2.242 3.306 1.00 0.00 C ATOM 1446 C LEU A 444 -2.190 2.064 4.640 1.00 0.00 C ATOM 1447 O LEU A 444 -2.823 1.991 5.692 1.00 0.00 O ATOM 1448 CB LEU A 444 -3.873 3.425 3.387 1.00 0.00 C ATOM 1449 CG LEU A 444 -4.239 4.084 2.056 1.00 0.00 C ATOM 1450 CD1 LEU A 444 -5.234 5.213 2.276 1.00 0.00 C ATOM 1451 CD2 LEU A 444 -2.991 4.600 1.355 1.00 0.00 C ATOM 0 H LEU A 444 -4.567 1.188 2.576 1.00 0.00 H new ATOM 0 HA LEU A 444 -2.161 2.442 2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -4.791 3.086 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -3.435 4.183 4.036 1.00 0.00 H new ATOM 0 HG LEU A 444 -4.706 3.334 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -5.483 5.670 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.139 4.816 2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -4.794 5.963 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -3.271 5.066 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -2.495 5.335 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -2.312 3.769 1.163 1.00 0.00 H new