USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=18 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 406 THR OG1 : rot -130:sc= -0.892 USER MOD Set 1.2: A 408 LYS NZ :NH3+ -158:sc= -0.254 (180deg=-1.12) USER MOD Set 2.1: A 401 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 414 THR OG1 : rot -101:sc= -1.14 USER MOD Set 3.1: A 390 ASN : amide:sc= -2.65! C(o=-5.3!,f=-8.1!) USER MOD Set 3.2: A 393 THR OG1 : rot 154:sc= -2.67! USER MOD Set 4.1: A 369 ASN : amide:sc= -11.2! C(o=-20!,f=-25!) USER MOD Set 4.2: A 436 GLN : amide:sc= -8.85! C(o=-20!,f=-18!) USER MOD Single : A 361 SER OG : rot -32:sc= 0.263 USER MOD Single : A 364 TYR OH : rot 93:sc= 0.00218 USER MOD Single : A 366 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 371 SER OG : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot -81:sc= 0.886 USER MOD Single : A 382 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 383 GLN : amide:sc= -3.14! K(o=-3.1!,f=-1.4) USER MOD Single : A 384 CYS SG : rot 63:sc= -0.563 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 MET CE :methyl -162:sc= -3.76 (180deg=-5.25!) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 395 GLN : amide:sc= -0.898 K(o=-0.9,f=-3!) 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) USER MOD Single : A 404 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 410 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.49) USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD Single : A 417 TYR OH : rot 9:sc= 0.132 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 139:sc= -2.05 (180deg=-4.59!) USER MOD Single : A 433 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 SER OG : rot -21:sc= 0.55 USER MOD ----------------------------------------------------------------- ATOM 168 N SER A 361 0.728 8.699 0.932 1.00 0.00 N ATOM 169 CA SER A 361 1.077 8.321 -0.432 1.00 0.00 C ATOM 170 C SER A 361 1.812 6.984 -0.454 1.00 0.00 C ATOM 171 O SER A 361 2.814 6.826 -1.150 1.00 0.00 O ATOM 172 CB SER A 361 1.943 9.404 -1.079 1.00 0.00 C ATOM 173 OG SER A 361 2.964 9.833 -0.196 1.00 0.00 O ATOM 0 HA SER A 361 0.153 8.217 -1.002 1.00 0.00 H new ATOM 0 HB2 SER A 361 2.389 9.018 -1.996 1.00 0.00 H new ATOM 0 HB3 SER A 361 1.320 10.253 -1.360 1.00 0.00 H new ATOM 0 HG SER A 361 2.640 9.782 0.728 1.00 0.00 H new ATOM 179 N ALA A 362 1.306 6.025 0.314 1.00 0.00 N ATOM 180 CA ALA A 362 1.913 4.701 0.382 1.00 0.00 C ATOM 181 C ALA A 362 0.855 3.623 0.595 1.00 0.00 C ATOM 182 O ALA A 362 -0.303 3.925 0.884 1.00 0.00 O ATOM 183 CB ALA A 362 2.950 4.653 1.494 1.00 0.00 C ATOM 0 H ALA A 362 0.478 6.140 0.898 1.00 0.00 H new ATOM 0 HA ALA A 362 2.407 4.505 -0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 362 3.395 3.659 1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 362 3.728 5.391 1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 362 2.471 4.874 2.448 1.00 0.00 H new ATOM 189 N ILE A 363 1.261 2.366 0.452 1.00 0.00 N ATOM 190 CA ILE A 363 0.348 1.244 0.630 1.00 0.00 C ATOM 191 C ILE A 363 1.060 0.050 1.256 1.00 0.00 C ATOM 192 O ILE A 363 2.222 -0.222 0.953 1.00 0.00 O ATOM 193 CB ILE A 363 -0.278 0.810 -0.709 1.00 0.00 C ATOM 194 CG1 ILE A 363 0.802 0.277 -1.653 1.00 0.00 C ATOM 195 CG2 ILE A 363 -1.021 1.974 -1.348 1.00 0.00 C ATOM 196 CD1 ILE A 363 0.247 -0.465 -2.848 1.00 0.00 C ATOM 0 H ILE A 363 2.216 2.099 0.213 1.00 0.00 H new ATOM 0 HA ILE A 363 -0.443 1.584 1.299 1.00 0.00 H new ATOM 0 HB ILE A 363 -0.993 0.010 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 363 1.410 1.111 -2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 363 1.463 -0.388 -1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 363 -1.458 1.652 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 363 -1.812 2.312 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 363 -0.326 2.793 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 363 1.069 -0.814 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 363 -0.338 -1.319 -2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 363 -0.391 0.203 -3.427 1.00 0.00 H new ATOM 208 N TYR A 364 0.355 -0.661 2.129 1.00 0.00 N ATOM 209 CA TYR A 364 0.920 -1.826 2.799 1.00 0.00 C ATOM 210 C TYR A 364 0.436 -3.118 2.146 1.00 0.00 C ATOM 211 O TYR A 364 -0.747 -3.453 2.208 1.00 0.00 O ATOM 212 CB TYR A 364 0.545 -1.820 4.282 1.00 0.00 C ATOM 213 CG TYR A 364 1.571 -2.486 5.169 1.00 0.00 C ATOM 214 CD1 TYR A 364 1.734 -3.866 5.163 1.00 0.00 C ATOM 215 CD2 TYR A 364 2.379 -1.735 6.015 1.00 0.00 C ATOM 216 CE1 TYR A 364 2.670 -4.479 5.972 1.00 0.00 C ATOM 217 CE2 TYR A 364 3.320 -2.340 6.826 1.00 0.00 C ATOM 218 CZ TYR A 364 3.460 -3.711 6.803 1.00 0.00 C ATOM 219 OH TYR A 364 4.396 -4.318 7.610 1.00 0.00 O ATOM 0 H TYR A 364 -0.609 -0.451 2.389 1.00 0.00 H new ATOM 0 HA TYR A 364 2.005 -1.776 2.705 1.00 0.00 H new ATOM 0 HB2 TYR A 364 0.409 -0.789 4.609 1.00 0.00 H new ATOM 0 HB3 TYR A 364 -0.413 -2.324 4.408 1.00 0.00 H new ATOM 0 HD1 TYR A 364 1.117 -4.470 4.514 1.00 0.00 H new ATOM 0 HD2 TYR A 364 2.269 -0.661 6.039 1.00 0.00 H new ATOM 0 HE1 TYR A 364 2.783 -5.553 5.955 1.00 0.00 H new ATOM 0 HE2 TYR A 364 3.943 -1.742 7.475 1.00 0.00 H new ATOM 0 HH TYR A 364 5.258 -4.348 7.145 1.00 0.00 H new ATOM 229 N VAL A 365 1.361 -3.838 1.520 1.00 0.00 N ATOM 230 CA VAL A 365 1.031 -5.094 0.856 1.00 0.00 C ATOM 231 C VAL A 365 1.317 -6.286 1.762 1.00 0.00 C ATOM 232 O VAL A 365 2.281 -6.278 2.527 1.00 0.00 O ATOM 233 CB VAL A 365 1.820 -5.259 -0.456 1.00 0.00 C ATOM 234 CG1 VAL A 365 1.306 -6.455 -1.242 1.00 0.00 C ATOM 235 CG2 VAL A 365 1.740 -3.989 -1.290 1.00 0.00 C ATOM 0 H VAL A 365 2.344 -3.574 1.459 1.00 0.00 H new ATOM 0 HA VAL A 365 -0.035 -5.062 0.629 1.00 0.00 H new ATOM 0 HB VAL A 365 2.866 -5.439 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 365 1.876 -6.555 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 365 1.421 -7.360 -0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 365 0.252 -6.309 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 365 2.303 -4.124 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 365 0.698 -3.775 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 365 2.161 -3.156 -0.726 1.00 0.00 H new ATOM 245 N GLN A 366 0.473 -7.309 1.669 1.00 0.00 N ATOM 246 CA GLN A 366 0.636 -8.509 2.481 1.00 0.00 C ATOM 247 C GLN A 366 0.094 -9.735 1.754 1.00 0.00 C ATOM 248 O GLN A 366 -1.090 -9.801 1.426 1.00 0.00 O ATOM 249 CB GLN A 366 -0.075 -8.341 3.825 1.00 0.00 C ATOM 250 CG GLN A 366 0.766 -7.634 4.875 1.00 0.00 C ATOM 251 CD GLN A 366 0.168 -7.730 6.265 1.00 0.00 C ATOM 252 OE1 GLN A 366 0.204 -8.786 6.897 1.00 0.00 O ATOM 253 NE2 GLN A 366 -0.387 -6.625 6.748 1.00 0.00 N ATOM 0 H GLN A 366 -0.330 -7.331 1.040 1.00 0.00 H new ATOM 0 HA GLN A 366 1.701 -8.656 2.658 1.00 0.00 H new ATOM 0 HB2 GLN A 366 -0.996 -7.779 3.671 1.00 0.00 H new ATOM 0 HB3 GLN A 366 -0.360 -9.324 4.201 1.00 0.00 H new ATOM 0 HG2 GLN A 366 1.767 -8.065 4.884 1.00 0.00 H new ATOM 0 HG3 GLN A 366 0.874 -6.584 4.602 1.00 0.00 H new ATOM 0 HE21 GLN A 366 -0.394 -5.772 6.189 1.00 0.00 H new ATOM 0 HE22 GLN A 366 -0.806 -6.629 7.678 1.00 0.00 H new ATOM 262 N GLY A 367 0.968 -10.705 1.507 1.00 0.00 N ATOM 263 CA GLY A 367 0.559 -11.916 0.820 1.00 0.00 C ATOM 264 C GLY A 367 1.478 -12.270 -0.332 1.00 0.00 C ATOM 265 O GLY A 367 1.079 -12.972 -1.262 1.00 0.00 O ATOM 0 H GLY A 367 1.953 -10.674 1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 367 0.537 -12.743 1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 367 -0.457 -11.791 0.445 1.00 0.00 H new ATOM 269 N LEU A 368 2.712 -11.782 -0.271 1.00 0.00 N ATOM 270 CA LEU A 368 3.691 -12.049 -1.320 1.00 0.00 C ATOM 271 C LEU A 368 4.375 -13.394 -1.096 1.00 0.00 C ATOM 272 O LEU A 368 4.487 -13.865 0.035 1.00 0.00 O ATOM 273 CB LEU A 368 4.738 -10.934 -1.363 1.00 0.00 C ATOM 274 CG LEU A 368 4.214 -9.534 -1.685 1.00 0.00 C ATOM 275 CD1 LEU A 368 5.288 -8.488 -1.425 1.00 0.00 C ATOM 276 CD2 LEU A 368 3.736 -9.462 -3.127 1.00 0.00 C ATOM 0 H LEU A 368 3.058 -11.200 0.492 1.00 0.00 H new ATOM 0 HA LEU A 368 3.165 -12.083 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 368 5.242 -10.898 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 368 5.491 -11.198 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 368 3.367 -9.325 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 368 4.896 -7.498 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 368 5.583 -8.522 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 368 6.155 -8.693 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 368 3.367 -8.458 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 368 4.565 -9.692 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 368 2.934 -10.184 -3.281 1.00 0.00 H new ATOM 288 N ASN A 369 4.831 -14.008 -2.184 1.00 0.00 N ATOM 289 CA ASN A 369 5.505 -15.299 -2.106 1.00 0.00 C ATOM 290 C ASN A 369 6.919 -15.142 -1.556 1.00 0.00 C ATOM 291 O ASN A 369 7.360 -14.032 -1.255 1.00 0.00 O ATOM 292 CB ASN A 369 5.553 -15.956 -3.487 1.00 0.00 C ATOM 293 CG ASN A 369 6.120 -15.032 -4.548 1.00 0.00 C ATOM 294 OD1 ASN A 369 7.329 -15.000 -4.777 1.00 0.00 O ATOM 295 ND2 ASN A 369 5.245 -14.275 -5.201 1.00 0.00 N ATOM 0 H ASN A 369 4.746 -13.633 -3.129 1.00 0.00 H new ATOM 0 HA ASN A 369 4.939 -15.936 -1.427 1.00 0.00 H new ATOM 0 HB2 ASN A 369 6.159 -16.860 -3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 369 4.548 -16.262 -3.776 1.00 0.00 H new ATOM 0 HD21 ASN A 369 5.567 -13.634 -5.926 1.00 0.00 H new ATOM 0 HD22 ASN A 369 4.252 -14.335 -4.977 1.00 0.00 H new ATOM 302 N ASP A 370 7.625 -16.260 -1.428 1.00 0.00 N ATOM 303 CA ASP A 370 8.991 -16.248 -0.916 1.00 0.00 C ATOM 304 C ASP A 370 9.990 -15.994 -2.040 1.00 0.00 C ATOM 305 O ASP A 370 11.200 -15.968 -1.813 1.00 0.00 O ATOM 306 CB ASP A 370 9.311 -17.572 -0.221 1.00 0.00 C ATOM 307 CG ASP A 370 8.548 -18.738 -0.820 1.00 0.00 C ATOM 308 OD1 ASP A 370 8.214 -18.674 -2.022 1.00 0.00 O ATOM 309 OD2 ASP A 370 8.286 -19.715 -0.088 1.00 0.00 O ATOM 0 H ASP A 370 7.274 -17.186 -1.672 1.00 0.00 H new ATOM 0 HA ASP A 370 9.073 -15.438 -0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 370 10.381 -17.767 -0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 370 9.071 -17.490 0.839 1.00 0.00 H new ATOM 314 N SER A 371 9.477 -15.809 -3.251 1.00 0.00 N ATOM 315 CA SER A 371 10.325 -15.562 -4.411 1.00 0.00 C ATOM 316 C SER A 371 10.045 -14.184 -5.005 1.00 0.00 C ATOM 317 O SER A 371 10.467 -13.879 -6.121 1.00 0.00 O ATOM 318 CB SER A 371 10.100 -16.641 -5.472 1.00 0.00 C ATOM 319 OG SER A 371 10.763 -17.845 -5.123 1.00 0.00 O ATOM 0 H SER A 371 8.478 -15.825 -3.455 1.00 0.00 H new ATOM 0 HA SER A 371 11.364 -15.594 -4.084 1.00 0.00 H new ATOM 0 HB2 SER A 371 9.032 -16.829 -5.583 1.00 0.00 H new ATOM 0 HB3 SER A 371 10.464 -16.288 -6.437 1.00 0.00 H new ATOM 0 HG SER A 371 10.603 -18.519 -5.816 1.00 0.00 H new ATOM 325 N VAL A 372 9.332 -13.355 -4.251 1.00 0.00 N ATOM 326 CA VAL A 372 8.996 -12.009 -4.699 1.00 0.00 C ATOM 327 C VAL A 372 10.209 -11.088 -4.630 1.00 0.00 C ATOM 328 O VAL A 372 10.929 -11.065 -3.630 1.00 0.00 O ATOM 329 CB VAL A 372 7.857 -11.404 -3.858 1.00 0.00 C ATOM 330 CG1 VAL A 372 8.316 -11.169 -2.427 1.00 0.00 C ATOM 331 CG2 VAL A 372 7.360 -10.110 -4.486 1.00 0.00 C ATOM 0 H VAL A 372 8.975 -13.592 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 372 8.666 -12.094 -5.734 1.00 0.00 H new ATOM 0 HB VAL A 372 7.029 -12.113 -3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 372 7.498 -10.741 -1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 372 8.619 -12.117 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 372 9.161 -10.481 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 372 6.555 -9.696 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 372 8.179 -9.393 -4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 372 6.989 -10.312 -5.491 1.00 0.00 H new ATOM 341 N THR A 373 10.432 -10.327 -5.698 1.00 0.00 N ATOM 342 CA THR A 373 11.557 -9.405 -5.758 1.00 0.00 C ATOM 343 C THR A 373 11.080 -7.963 -5.887 1.00 0.00 C ATOM 344 O THR A 373 9.923 -7.709 -6.222 1.00 0.00 O ATOM 345 CB THR A 373 12.490 -9.733 -6.939 1.00 0.00 C ATOM 346 OG1 THR A 373 11.775 -9.618 -8.174 1.00 0.00 O ATOM 347 CG2 THR A 373 13.058 -11.138 -6.805 1.00 0.00 C ATOM 0 H THR A 373 9.847 -10.332 -6.533 1.00 0.00 H new ATOM 0 HA THR A 373 12.110 -9.520 -4.825 1.00 0.00 H new ATOM 0 HB THR A 373 13.316 -9.022 -6.930 1.00 0.00 H new ATOM 0 HG1 THR A 373 11.260 -10.437 -8.331 1.00 0.00 H new ATOM 0 HG21 THR A 373 13.714 -11.347 -7.650 1.00 0.00 H new ATOM 0 HG22 THR A 373 13.626 -11.214 -5.878 1.00 0.00 H new ATOM 0 HG23 THR A 373 12.242 -11.861 -6.791 1.00 0.00 H new ATOM 355 N LEU A 374 11.979 -7.021 -5.622 1.00 0.00 N ATOM 356 CA LEU A 374 11.650 -5.603 -5.710 1.00 0.00 C ATOM 357 C LEU A 374 11.179 -5.239 -7.115 1.00 0.00 C ATOM 358 O LEU A 374 10.038 -4.821 -7.310 1.00 0.00 O ATOM 359 CB LEU A 374 12.863 -4.753 -5.330 1.00 0.00 C ATOM 360 CG LEU A 374 12.781 -3.268 -5.686 1.00 0.00 C ATOM 361 CD1 LEU A 374 11.837 -2.543 -4.739 1.00 0.00 C ATOM 362 CD2 LEU A 374 14.163 -2.634 -5.653 1.00 0.00 C ATOM 0 H LEU A 374 12.941 -7.214 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 374 10.839 -5.400 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 374 13.020 -4.840 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 374 13.743 -5.174 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 374 12.387 -3.179 -6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 374 11.792 -1.488 -5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 374 10.841 -2.980 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 374 12.201 -2.641 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 374 14.085 -1.577 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 374 14.586 -2.735 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 374 14.810 -3.135 -6.373 1.00 0.00 H new ATOM 374 N ASP A 375 12.066 -5.403 -8.091 1.00 0.00 N ATOM 375 CA ASP A 375 11.741 -5.095 -9.478 1.00 0.00 C ATOM 376 C ASP A 375 10.381 -5.671 -9.859 1.00 0.00 C ATOM 377 O ASP A 375 9.613 -5.044 -10.589 1.00 0.00 O ATOM 378 CB ASP A 375 12.821 -5.647 -10.412 1.00 0.00 C ATOM 379 CG ASP A 375 14.100 -4.834 -10.362 1.00 0.00 C ATOM 380 OD1 ASP A 375 14.221 -3.870 -11.147 1.00 0.00 O ATOM 381 OD2 ASP A 375 14.978 -5.160 -9.537 1.00 0.00 O ATOM 0 H ASP A 375 13.015 -5.747 -7.947 1.00 0.00 H new ATOM 0 HA ASP A 375 11.699 -4.011 -9.583 1.00 0.00 H new ATOM 0 HB2 ASP A 375 13.039 -6.680 -10.140 1.00 0.00 H new ATOM 0 HB3 ASP A 375 12.442 -5.660 -11.434 1.00 0.00 H new ATOM 386 N ASP A 376 10.089 -6.866 -9.359 1.00 0.00 N ATOM 387 CA ASP A 376 8.820 -7.527 -9.646 1.00 0.00 C ATOM 388 C ASP A 376 7.653 -6.740 -9.057 1.00 0.00 C ATOM 389 O ASP A 376 6.552 -6.738 -9.609 1.00 0.00 O ATOM 390 CB ASP A 376 8.825 -8.950 -9.089 1.00 0.00 C ATOM 391 CG ASP A 376 9.347 -9.963 -10.090 1.00 0.00 C ATOM 392 OD1 ASP A 376 8.926 -9.907 -11.264 1.00 0.00 O ATOM 393 OD2 ASP A 376 10.178 -10.809 -9.699 1.00 0.00 O ATOM 0 H ASP A 376 10.713 -7.398 -8.753 1.00 0.00 H new ATOM 0 HA ASP A 376 8.697 -7.570 -10.728 1.00 0.00 H new ATOM 0 HB2 ASP A 376 9.440 -8.983 -8.190 1.00 0.00 H new ATOM 0 HB3 ASP A 376 7.812 -9.225 -8.793 1.00 0.00 H new ATOM 398 N LEU A 377 7.902 -6.075 -7.935 1.00 0.00 N ATOM 399 CA LEU A 377 6.871 -5.285 -7.270 1.00 0.00 C ATOM 400 C LEU A 377 6.819 -3.870 -7.835 1.00 0.00 C ATOM 401 O LEU A 377 5.763 -3.239 -7.861 1.00 0.00 O ATOM 402 CB LEU A 377 7.131 -5.236 -5.763 1.00 0.00 C ATOM 403 CG LEU A 377 6.976 -6.558 -5.010 1.00 0.00 C ATOM 404 CD1 LEU A 377 7.292 -6.372 -3.534 1.00 0.00 C ATOM 405 CD2 LEU A 377 5.571 -7.113 -5.193 1.00 0.00 C ATOM 0 H LEU A 377 8.808 -6.067 -7.466 1.00 0.00 H new ATOM 0 HA LEU A 377 5.909 -5.763 -7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 377 8.143 -4.866 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 377 6.451 -4.508 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 377 7.685 -7.276 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 377 7.176 -7.323 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 377 8.318 -6.020 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 377 6.609 -5.639 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 377 5.478 -8.054 -4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 377 4.844 -6.398 -4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 377 5.383 -7.285 -6.253 1.00 0.00 H new ATOM 417 N ALA A 378 7.967 -3.378 -8.290 1.00 0.00 N ATOM 418 CA ALA A 378 8.053 -2.039 -8.860 1.00 0.00 C ATOM 419 C ALA A 378 7.411 -1.989 -10.242 1.00 0.00 C ATOM 420 O ALA A 378 6.827 -0.976 -10.630 1.00 0.00 O ATOM 421 CB ALA A 378 9.504 -1.588 -8.933 1.00 0.00 C ATOM 0 H ALA A 378 8.851 -3.887 -8.275 1.00 0.00 H new ATOM 0 HA ALA A 378 7.505 -1.358 -8.209 1.00 0.00 H new ATOM 0 HB1 ALA A 378 9.553 -0.587 -9.361 1.00 0.00 H new ATOM 0 HB2 ALA A 378 9.932 -1.576 -7.931 1.00 0.00 H new ATOM 0 HB3 ALA A 378 10.068 -2.278 -9.560 1.00 0.00 H new ATOM 427 N ASP A 379 7.522 -3.087 -10.981 1.00 0.00 N ATOM 428 CA ASP A 379 6.952 -3.168 -12.321 1.00 0.00 C ATOM 429 C ASP A 379 5.480 -3.563 -12.262 1.00 0.00 C ATOM 430 O ASP A 379 4.730 -3.348 -13.215 1.00 0.00 O ATOM 431 CB ASP A 379 7.730 -4.176 -13.169 1.00 0.00 C ATOM 432 CG ASP A 379 7.468 -4.008 -14.653 1.00 0.00 C ATOM 433 OD1 ASP A 379 6.327 -4.274 -15.087 1.00 0.00 O ATOM 434 OD2 ASP A 379 8.402 -3.613 -15.380 1.00 0.00 O ATOM 0 H ASP A 379 8.002 -3.934 -10.675 1.00 0.00 H new ATOM 0 HA ASP A 379 7.027 -2.183 -12.782 1.00 0.00 H new ATOM 0 HB2 ASP A 379 8.797 -4.062 -12.976 1.00 0.00 H new ATOM 0 HB3 ASP A 379 7.458 -5.187 -12.867 1.00 0.00 H new ATOM 439 N PHE A 380 5.072 -4.141 -11.138 1.00 0.00 N ATOM 440 CA PHE A 380 3.690 -4.568 -10.955 1.00 0.00 C ATOM 441 C PHE A 380 2.861 -3.465 -10.303 1.00 0.00 C ATOM 442 O PHE A 380 1.791 -3.106 -10.793 1.00 0.00 O ATOM 443 CB PHE A 380 3.634 -5.836 -10.101 1.00 0.00 C ATOM 444 CG PHE A 380 2.238 -6.249 -9.730 1.00 0.00 C ATOM 445 CD1 PHE A 380 1.323 -6.603 -10.709 1.00 0.00 C ATOM 446 CD2 PHE A 380 1.840 -6.281 -8.404 1.00 0.00 C ATOM 447 CE1 PHE A 380 0.038 -6.983 -10.371 1.00 0.00 C ATOM 448 CE2 PHE A 380 0.557 -6.660 -8.060 1.00 0.00 C ATOM 449 CZ PHE A 380 -0.346 -7.011 -9.044 1.00 0.00 C ATOM 0 H PHE A 380 5.679 -4.325 -10.339 1.00 0.00 H new ATOM 0 HA PHE A 380 3.269 -4.781 -11.938 1.00 0.00 H new ATOM 0 HB2 PHE A 380 4.113 -6.651 -10.643 1.00 0.00 H new ATOM 0 HB3 PHE A 380 4.211 -5.677 -9.190 1.00 0.00 H new ATOM 0 HD1 PHE A 380 1.618 -6.582 -11.748 1.00 0.00 H new ATOM 0 HD2 PHE A 380 2.541 -6.006 -7.630 1.00 0.00 H new ATOM 0 HE1 PHE A 380 -0.665 -7.258 -11.143 1.00 0.00 H new ATOM 0 HE2 PHE A 380 0.260 -6.682 -7.022 1.00 0.00 H new ATOM 0 HZ PHE A 380 -1.350 -7.307 -8.777 1.00 0.00 H new ATOM 459 N PHE A 381 3.365 -2.932 -9.194 1.00 0.00 N ATOM 460 CA PHE A 381 2.672 -1.872 -8.473 1.00 0.00 C ATOM 461 C PHE A 381 2.517 -0.630 -9.348 1.00 0.00 C ATOM 462 O PHE A 381 1.628 0.193 -9.128 1.00 0.00 O ATOM 463 CB PHE A 381 3.431 -1.516 -7.193 1.00 0.00 C ATOM 464 CG PHE A 381 3.238 -2.512 -6.086 1.00 0.00 C ATOM 465 CD1 PHE A 381 1.965 -2.886 -5.687 1.00 0.00 C ATOM 466 CD2 PHE A 381 4.329 -3.075 -5.445 1.00 0.00 C ATOM 467 CE1 PHE A 381 1.784 -3.802 -4.668 1.00 0.00 C ATOM 468 CE2 PHE A 381 4.155 -3.992 -4.425 1.00 0.00 C ATOM 469 CZ PHE A 381 2.880 -4.356 -4.036 1.00 0.00 C ATOM 0 H PHE A 381 4.251 -3.217 -8.776 1.00 0.00 H new ATOM 0 HA PHE A 381 1.679 -2.236 -8.209 1.00 0.00 H new ATOM 0 HB2 PHE A 381 4.494 -1.438 -7.420 1.00 0.00 H new ATOM 0 HB3 PHE A 381 3.106 -0.534 -6.848 1.00 0.00 H new ATOM 0 HD1 PHE A 381 1.104 -2.457 -6.178 1.00 0.00 H new ATOM 0 HD2 PHE A 381 5.328 -2.794 -5.746 1.00 0.00 H new ATOM 0 HE1 PHE A 381 0.786 -4.084 -4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 381 5.014 -4.423 -3.933 1.00 0.00 H new ATOM 0 HZ PHE A 381 2.741 -5.072 -3.240 1.00 0.00 H new ATOM 479 N LYS A 382 3.391 -0.502 -10.341 1.00 0.00 N ATOM 480 CA LYS A 382 3.354 0.638 -11.250 1.00 0.00 C ATOM 481 C LYS A 382 2.168 0.534 -12.204 1.00 0.00 C ATOM 482 O LYS A 382 1.889 1.460 -12.964 1.00 0.00 O ATOM 483 CB LYS A 382 4.657 0.723 -12.047 1.00 0.00 C ATOM 484 CG LYS A 382 4.802 -0.367 -13.095 1.00 0.00 C ATOM 485 CD LYS A 382 5.739 0.057 -14.214 1.00 0.00 C ATOM 486 CE LYS A 382 5.692 -0.919 -15.379 1.00 0.00 C ATOM 487 NZ LYS A 382 6.239 -0.319 -16.628 1.00 0.00 N ATOM 0 H LYS A 382 4.133 -1.173 -10.537 1.00 0.00 H new ATOM 0 HA LYS A 382 3.240 1.543 -10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 382 4.711 1.695 -12.537 1.00 0.00 H new ATOM 0 HB3 LYS A 382 5.499 0.666 -11.357 1.00 0.00 H new ATOM 0 HG2 LYS A 382 5.181 -1.275 -12.627 1.00 0.00 H new ATOM 0 HG3 LYS A 382 3.823 -0.607 -13.510 1.00 0.00 H new ATOM 0 HD2 LYS A 382 5.465 1.053 -14.561 1.00 0.00 H new ATOM 0 HD3 LYS A 382 6.758 0.121 -13.832 1.00 0.00 H new ATOM 0 HE2 LYS A 382 6.261 -1.814 -15.126 1.00 0.00 H new ATOM 0 HE3 LYS A 382 4.662 -1.233 -15.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 6.189 -1.016 -17.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 5.680 0.520 -16.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 7.230 -0.042 -16.475 1.00 0.00 H new ATOM 501 N GLN A 383 1.475 -0.599 -12.158 1.00 0.00 N ATOM 502 CA GLN A 383 0.319 -0.823 -13.019 1.00 0.00 C ATOM 503 C GLN A 383 -0.708 0.292 -12.852 1.00 0.00 C ATOM 504 O GLN A 383 -1.147 0.895 -13.832 1.00 0.00 O ATOM 505 CB GLN A 383 -0.324 -2.175 -12.704 1.00 0.00 C ATOM 506 CG GLN A 383 0.325 -3.341 -13.434 1.00 0.00 C ATOM 507 CD GLN A 383 -0.569 -4.565 -13.487 1.00 0.00 C ATOM 508 OE1 GLN A 383 -1.033 -4.963 -14.556 1.00 0.00 O ATOM 509 NE2 GLN A 383 -0.813 -5.171 -12.331 1.00 0.00 N ATOM 0 H GLN A 383 1.693 -1.376 -11.534 1.00 0.00 H new ATOM 0 HA GLN A 383 0.663 -0.824 -14.053 1.00 0.00 H new ATOM 0 HB2 GLN A 383 -0.269 -2.353 -11.630 1.00 0.00 H new ATOM 0 HB3 GLN A 383 -1.381 -2.135 -12.967 1.00 0.00 H new ATOM 0 HG2 GLN A 383 0.576 -3.035 -14.449 1.00 0.00 H new ATOM 0 HG3 GLN A 383 1.261 -3.600 -12.938 1.00 0.00 H new ATOM 0 HE21 GLN A 383 -0.408 -4.807 -11.469 1.00 0.00 H new ATOM 0 HE22 GLN A 383 -1.406 -6.001 -12.305 1.00 0.00 H new ATOM 518 N CYS A 384 -1.085 0.561 -11.607 1.00 0.00 N ATOM 519 CA CYS A 384 -2.061 1.604 -11.312 1.00 0.00 C ATOM 520 C CYS A 384 -1.541 2.972 -11.737 1.00 0.00 C ATOM 521 O CYS A 384 -2.097 3.609 -12.630 1.00 0.00 O ATOM 522 CB CYS A 384 -2.394 1.612 -9.819 1.00 0.00 C ATOM 523 SG CYS A 384 -3.941 2.456 -9.413 1.00 0.00 S ATOM 0 H CYS A 384 -0.730 0.071 -10.786 1.00 0.00 H new ATOM 0 HA CYS A 384 -2.967 1.389 -11.878 1.00 0.00 H new ATOM 0 HB2 CYS A 384 -2.450 0.583 -9.465 1.00 0.00 H new ATOM 0 HB3 CYS A 384 -1.578 2.091 -9.278 1.00 0.00 H new ATOM 0 HG CYS A 384 -4.934 1.837 -9.979 1.00 0.00 H new ATOM 529 N GLY A 385 -0.469 3.420 -11.089 1.00 0.00 N ATOM 530 CA GLY A 385 0.108 4.711 -11.413 1.00 0.00 C ATOM 531 C GLY A 385 1.619 4.659 -11.526 1.00 0.00 C ATOM 532 O GLY A 385 2.167 3.806 -12.224 1.00 0.00 O ATOM 0 H GLY A 385 0.010 2.911 -10.346 1.00 0.00 H new ATOM 0 HA2 GLY A 385 -0.312 5.067 -12.354 1.00 0.00 H new ATOM 0 HA3 GLY A 385 -0.171 5.433 -10.646 1.00 0.00 H new ATOM 536 N VAL A 386 2.294 5.576 -10.840 1.00 0.00 N ATOM 537 CA VAL A 386 3.751 5.631 -10.867 1.00 0.00 C ATOM 538 C VAL A 386 4.333 5.503 -9.464 1.00 0.00 C ATOM 539 O VAL A 386 3.927 6.216 -8.545 1.00 0.00 O ATOM 540 CB VAL A 386 4.251 6.944 -11.500 1.00 0.00 C ATOM 541 CG1 VAL A 386 5.745 7.112 -11.270 1.00 0.00 C ATOM 542 CG2 VAL A 386 3.924 6.977 -12.985 1.00 0.00 C ATOM 0 H VAL A 386 1.855 6.291 -10.259 1.00 0.00 H new ATOM 0 HA VAL A 386 4.088 4.791 -11.474 1.00 0.00 H new ATOM 0 HB VAL A 386 3.738 7.778 -11.020 1.00 0.00 H new ATOM 0 HG11 VAL A 386 6.080 8.045 -11.724 1.00 0.00 H new ATOM 0 HG12 VAL A 386 5.948 7.136 -10.199 1.00 0.00 H new ATOM 0 HG13 VAL A 386 6.279 6.276 -11.722 1.00 0.00 H new ATOM 0 HG21 VAL A 386 4.284 7.911 -13.416 1.00 0.00 H new ATOM 0 HG22 VAL A 386 4.408 6.137 -13.483 1.00 0.00 H new ATOM 0 HG23 VAL A 386 2.845 6.907 -13.122 1.00 0.00 H new ATOM 552 N VAL A 387 5.284 4.590 -9.304 1.00 0.00 N ATOM 553 CA VAL A 387 5.923 4.368 -8.012 1.00 0.00 C ATOM 554 C VAL A 387 7.009 5.406 -7.752 1.00 0.00 C ATOM 555 O VAL A 387 7.890 5.622 -8.584 1.00 0.00 O ATOM 556 CB VAL A 387 6.543 2.961 -7.926 1.00 0.00 C ATOM 557 CG1 VAL A 387 7.147 2.726 -6.550 1.00 0.00 C ATOM 558 CG2 VAL A 387 5.501 1.900 -8.248 1.00 0.00 C ATOM 0 H VAL A 387 5.630 3.991 -10.054 1.00 0.00 H new ATOM 0 HA VAL A 387 5.145 4.461 -7.254 1.00 0.00 H new ATOM 0 HB VAL A 387 7.342 2.889 -8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 387 7.580 1.727 -6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 387 7.925 3.467 -6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 387 6.370 2.816 -5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 387 5.956 0.912 -8.183 1.00 0.00 H new ATOM 0 HG22 VAL A 387 4.679 1.969 -7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 387 5.120 2.058 -9.257 1.00 0.00 H new ATOM 568 N LYS A 388 6.940 6.046 -6.589 1.00 0.00 N ATOM 569 CA LYS A 388 7.917 7.062 -6.215 1.00 0.00 C ATOM 570 C LYS A 388 9.339 6.526 -6.356 1.00 0.00 C ATOM 571 O LYS A 388 9.795 5.726 -5.541 1.00 0.00 O ATOM 572 CB LYS A 388 7.677 7.525 -4.777 1.00 0.00 C ATOM 573 CG LYS A 388 8.488 8.751 -4.390 1.00 0.00 C ATOM 574 CD LYS A 388 7.775 9.579 -3.334 1.00 0.00 C ATOM 575 CE LYS A 388 8.688 10.649 -2.754 1.00 0.00 C ATOM 576 NZ LYS A 388 8.051 11.365 -1.616 1.00 0.00 N ATOM 0 H LYS A 388 6.217 5.879 -5.889 1.00 0.00 H new ATOM 0 HA LYS A 388 7.798 7.911 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 388 6.617 7.745 -4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 388 7.920 6.709 -4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 388 9.462 8.440 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 388 8.668 9.363 -5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.894 10.049 -3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.424 8.927 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 388 9.618 10.190 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 388 8.949 11.365 -3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 8.705 12.085 -1.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 7.177 11.825 -1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 7.825 10.686 -0.861 1.00 0.00 H new ATOM 590 N MET A 389 10.034 6.976 -7.396 1.00 0.00 N ATOM 591 CA MET A 389 11.405 6.543 -7.642 1.00 0.00 C ATOM 592 C MET A 389 12.401 7.604 -7.183 1.00 0.00 C ATOM 593 O MET A 389 12.341 8.753 -7.617 1.00 0.00 O ATOM 594 CB MET A 389 11.610 6.244 -9.128 1.00 0.00 C ATOM 595 CG MET A 389 10.948 4.956 -9.587 1.00 0.00 C ATOM 596 SD MET A 389 11.757 3.486 -8.926 1.00 0.00 S ATOM 597 CE MET A 389 13.434 3.734 -9.503 1.00 0.00 C ATOM 0 H MET A 389 9.671 7.639 -8.081 1.00 0.00 H new ATOM 0 HA MET A 389 11.580 5.633 -7.068 1.00 0.00 H new ATOM 0 HB2 MET A 389 11.216 7.074 -9.715 1.00 0.00 H new ATOM 0 HB3 MET A 389 12.679 6.187 -9.334 1.00 0.00 H new ATOM 0 HG2 MET A 389 9.902 4.960 -9.280 1.00 0.00 H new ATOM 0 HG3 MET A 389 10.960 4.914 -10.676 1.00 0.00 H new ATOM 0 HE1 MET A 389 13.976 2.789 -9.462 1.00 0.00 H new ATOM 0 HE2 MET A 389 13.415 4.097 -10.531 1.00 0.00 H new ATOM 0 HE3 MET A 389 13.933 4.467 -8.868 1.00 0.00 H new ATOM 607 N ASN A 390 13.315 7.209 -6.303 1.00 0.00 N ATOM 608 CA ASN A 390 14.323 8.127 -5.784 1.00 0.00 C ATOM 609 C ASN A 390 15.019 8.868 -6.921 1.00 0.00 C ATOM 610 O ASN A 390 15.198 8.328 -8.012 1.00 0.00 O ATOM 611 CB ASN A 390 15.354 7.366 -4.949 1.00 0.00 C ATOM 612 CG ASN A 390 15.949 8.220 -3.845 1.00 0.00 C ATOM 613 OD1 ASN A 390 15.894 9.448 -3.898 1.00 0.00 O ATOM 614 ND2 ASN A 390 16.522 7.570 -2.838 1.00 0.00 N ATOM 0 H ASN A 390 13.379 6.260 -5.934 1.00 0.00 H new ATOM 0 HA ASN A 390 13.822 8.858 -5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 390 14.884 6.486 -4.510 1.00 0.00 H new ATOM 0 HB3 ASN A 390 16.153 7.010 -5.600 1.00 0.00 H new ATOM 0 HD21 ASN A 390 16.940 8.091 -2.067 1.00 0.00 H new ATOM 0 HD22 ASN A 390 16.544 6.550 -2.836 1.00 0.00 H new ATOM 621 N LYS A 391 15.411 10.111 -6.657 1.00 0.00 N ATOM 622 CA LYS A 391 16.090 10.928 -7.655 1.00 0.00 C ATOM 623 C LYS A 391 17.605 10.830 -7.500 1.00 0.00 C ATOM 624 O LYS A 391 18.355 11.157 -8.420 1.00 0.00 O ATOM 625 CB LYS A 391 15.649 12.388 -7.536 1.00 0.00 C ATOM 626 CG LYS A 391 16.346 13.316 -8.515 1.00 0.00 C ATOM 627 CD LYS A 391 16.070 14.775 -8.192 1.00 0.00 C ATOM 628 CE LYS A 391 17.064 15.697 -8.883 1.00 0.00 C ATOM 629 NZ LYS A 391 17.067 17.060 -8.283 1.00 0.00 N ATOM 0 H LYS A 391 15.269 10.574 -5.759 1.00 0.00 H new ATOM 0 HA LYS A 391 15.818 10.552 -8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 391 14.572 12.448 -7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 391 15.840 12.735 -6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 391 17.420 13.133 -8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 391 16.010 13.097 -9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 391 15.057 15.032 -8.502 1.00 0.00 H new ATOM 0 HD3 LYS A 391 16.121 14.926 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 391 18.064 15.269 -8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 391 16.818 15.767 -9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 17.757 17.657 -8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 16.119 17.480 -8.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 17.327 16.996 -7.278 1.00 0.00 H new ATOM 643 N ARG A 392 18.048 10.376 -6.331 1.00 0.00 N ATOM 644 CA ARG A 392 19.473 10.235 -6.057 1.00 0.00 C ATOM 645 C ARG A 392 19.919 8.786 -6.232 1.00 0.00 C ATOM 646 O ARG A 392 20.962 8.513 -6.827 1.00 0.00 O ATOM 647 CB ARG A 392 19.789 10.711 -4.637 1.00 0.00 C ATOM 648 CG ARG A 392 18.916 10.069 -3.571 1.00 0.00 C ATOM 649 CD ARG A 392 19.331 10.506 -2.175 1.00 0.00 C ATOM 650 NE ARG A 392 18.951 9.526 -1.160 1.00 0.00 N ATOM 651 CZ ARG A 392 19.226 9.663 0.133 1.00 0.00 C ATOM 652 NH1 ARG A 392 19.880 10.732 0.565 1.00 0.00 N ATOM 653 NH2 ARG A 392 18.848 8.729 0.995 1.00 0.00 N ATOM 0 H ARG A 392 17.441 10.100 -5.559 1.00 0.00 H new ATOM 0 HA ARG A 392 20.019 10.853 -6.770 1.00 0.00 H new ATOM 0 HB2 ARG A 392 20.835 10.497 -4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 392 19.668 11.793 -4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 392 17.874 10.337 -3.743 1.00 0.00 H new ATOM 0 HG3 ARG A 392 18.983 8.984 -3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 392 20.410 10.656 -2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 392 18.869 11.466 -1.943 1.00 0.00 H new ATOM 0 HE ARG A 392 18.447 8.691 -1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 392 20.173 11.452 -0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 392 20.090 10.835 1.558 1.00 0.00 H new ATOM 0 HH21 ARG A 392 18.346 7.904 0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 392 19.060 8.835 1.987 1.00 0.00 H new ATOM 667 N THR A 393 19.122 7.859 -5.707 1.00 0.00 N ATOM 668 CA THR A 393 19.436 6.440 -5.803 1.00 0.00 C ATOM 669 C THR A 393 18.764 5.810 -7.018 1.00 0.00 C ATOM 670 O THR A 393 19.142 4.722 -7.454 1.00 0.00 O ATOM 671 CB THR A 393 18.997 5.681 -4.537 1.00 0.00 C ATOM 672 OG1 THR A 393 17.585 5.824 -4.344 1.00 0.00 O ATOM 673 CG2 THR A 393 19.736 6.198 -3.312 1.00 0.00 C ATOM 0 H THR A 393 18.255 8.067 -5.211 1.00 0.00 H new ATOM 0 HA THR A 393 20.518 6.362 -5.908 1.00 0.00 H new ATOM 0 HB THR A 393 19.240 4.627 -4.670 1.00 0.00 H new ATOM 0 HG1 THR A 393 17.245 5.058 -3.837 1.00 0.00 H new ATOM 0 HG21 THR A 393 19.409 5.647 -2.430 1.00 0.00 H new ATOM 0 HG22 THR A 393 20.809 6.060 -3.449 1.00 0.00 H new ATOM 0 HG23 THR A 393 19.521 7.258 -3.178 1.00 0.00 H new ATOM 681 N GLY A 394 17.766 6.499 -7.562 1.00 0.00 N ATOM 682 CA GLY A 394 17.058 5.991 -8.722 1.00 0.00 C ATOM 683 C GLY A 394 16.382 4.662 -8.453 1.00 0.00 C ATOM 684 O GLY A 394 16.173 3.867 -9.369 1.00 0.00 O ATOM 0 H GLY A 394 17.435 7.401 -7.220 1.00 0.00 H new ATOM 0 HA2 GLY A 394 16.309 6.719 -9.034 1.00 0.00 H new ATOM 0 HA3 GLY A 394 17.758 5.878 -9.550 1.00 0.00 H new ATOM 688 N GLN A 395 16.042 4.417 -7.191 1.00 0.00 N ATOM 689 CA GLN A 395 15.388 3.173 -6.803 1.00 0.00 C ATOM 690 C GLN A 395 13.980 3.437 -6.283 1.00 0.00 C ATOM 691 O GLN A 395 13.674 4.513 -5.767 1.00 0.00 O ATOM 692 CB GLN A 395 16.212 2.450 -5.736 1.00 0.00 C ATOM 693 CG GLN A 395 17.623 2.107 -6.185 1.00 0.00 C ATOM 694 CD GLN A 395 17.644 1.193 -7.395 1.00 0.00 C ATOM 695 OE1 GLN A 395 17.213 1.575 -8.483 1.00 0.00 O ATOM 696 NE2 GLN A 395 18.148 -0.022 -7.211 1.00 0.00 N ATOM 0 H GLN A 395 16.209 5.064 -6.420 1.00 0.00 H new ATOM 0 HA GLN A 395 15.316 2.539 -7.687 1.00 0.00 H new ATOM 0 HB2 GLN A 395 16.265 3.075 -4.845 1.00 0.00 H new ATOM 0 HB3 GLN A 395 15.697 1.532 -5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 395 18.159 3.027 -6.420 1.00 0.00 H new ATOM 0 HG3 GLN A 395 18.156 1.628 -5.363 1.00 0.00 H new ATOM 0 HE21 GLN A 395 18.494 -0.297 -6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 395 18.189 -0.680 -7.989 1.00 0.00 H new ATOM 705 N PRO A 396 13.100 2.435 -6.421 1.00 0.00 N ATOM 706 CA PRO A 396 11.708 2.535 -5.969 1.00 0.00 C ATOM 707 C PRO A 396 11.592 2.559 -4.449 1.00 0.00 C ATOM 708 O PRO A 396 12.381 1.930 -3.747 1.00 0.00 O ATOM 709 CB PRO A 396 11.060 1.268 -6.535 1.00 0.00 C ATOM 710 CG PRO A 396 12.183 0.301 -6.684 1.00 0.00 C ATOM 711 CD PRO A 396 13.395 1.125 -7.025 1.00 0.00 C ATOM 0 HA PRO A 396 11.236 3.459 -6.304 1.00 0.00 H new ATOM 0 HB2 PRO A 396 10.292 0.883 -5.864 1.00 0.00 H new ATOM 0 HB3 PRO A 396 10.577 1.464 -7.492 1.00 0.00 H new ATOM 0 HG2 PRO A 396 12.339 -0.261 -5.763 1.00 0.00 H new ATOM 0 HG3 PRO A 396 11.971 -0.425 -7.469 1.00 0.00 H new ATOM 0 HD2 PRO A 396 14.306 0.689 -6.614 1.00 0.00 H new ATOM 0 HD3 PRO A 396 13.537 1.203 -8.103 1.00 0.00 H new ATOM 719 N MET A 397 10.600 3.290 -3.949 1.00 0.00 N ATOM 720 CA MET A 397 10.379 3.394 -2.511 1.00 0.00 C ATOM 721 C MET A 397 9.613 2.184 -1.989 1.00 0.00 C ATOM 722 O MET A 397 8.717 2.318 -1.154 1.00 0.00 O ATOM 723 CB MET A 397 9.615 4.678 -2.183 1.00 0.00 C ATOM 724 CG MET A 397 10.365 5.945 -2.559 1.00 0.00 C ATOM 725 SD MET A 397 11.409 6.557 -1.222 1.00 0.00 S ATOM 726 CE MET A 397 12.885 7.016 -2.128 1.00 0.00 C ATOM 0 H MET A 397 9.938 3.818 -4.517 1.00 0.00 H new ATOM 0 HA MET A 397 11.352 3.423 -2.020 1.00 0.00 H new ATOM 0 HB2 MET A 397 8.658 4.664 -2.704 1.00 0.00 H new ATOM 0 HB3 MET A 397 9.397 4.698 -1.115 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.982 5.751 -3.436 1.00 0.00 H new ATOM 0 HG3 MET A 397 9.648 6.718 -2.838 1.00 0.00 H new ATOM 0 HE1 MET A 397 13.628 7.414 -1.436 1.00 0.00 H new ATOM 0 HE2 MET A 397 13.291 6.138 -2.631 1.00 0.00 H new ATOM 0 HE3 MET A 397 12.636 7.776 -2.869 1.00 0.00 H new ATOM 736 N ILE A 398 9.968 1.004 -2.486 1.00 0.00 N ATOM 737 CA ILE A 398 9.313 -0.229 -2.068 1.00 0.00 C ATOM 738 C ILE A 398 10.139 -0.961 -1.015 1.00 0.00 C ATOM 739 O ILE A 398 11.355 -1.099 -1.151 1.00 0.00 O ATOM 740 CB ILE A 398 9.073 -1.172 -3.262 1.00 0.00 C ATOM 741 CG1 ILE A 398 8.051 -0.562 -4.224 1.00 0.00 C ATOM 742 CG2 ILE A 398 8.604 -2.534 -2.776 1.00 0.00 C ATOM 743 CD1 ILE A 398 7.874 -1.354 -5.501 1.00 0.00 C ATOM 0 H ILE A 398 10.706 0.876 -3.179 1.00 0.00 H new ATOM 0 HA ILE A 398 8.351 0.054 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 398 10.014 -1.304 -3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 398 7.089 -0.485 -3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 398 8.361 0.452 -4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 398 8.439 -3.189 -3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 398 9.363 -2.970 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 398 7.673 -2.421 -2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 398 7.135 -0.863 -6.134 1.00 0.00 H new ATOM 0 HD12 ILE A 398 8.826 -1.409 -6.030 1.00 0.00 H new ATOM 0 HD13 ILE A 398 7.533 -2.361 -5.260 1.00 0.00 H new ATOM 755 N HIS A 399 9.469 -1.430 0.033 1.00 0.00 N ATOM 756 CA HIS A 399 10.141 -2.151 1.108 1.00 0.00 C ATOM 757 C HIS A 399 9.672 -3.601 1.165 1.00 0.00 C ATOM 758 O HIS A 399 8.482 -3.885 1.025 1.00 0.00 O ATOM 759 CB HIS A 399 9.881 -1.465 2.450 1.00 0.00 C ATOM 760 CG HIS A 399 11.012 -1.602 3.421 1.00 0.00 C ATOM 761 ND1 HIS A 399 12.192 -0.897 3.306 1.00 0.00 N ATOM 762 CD2 HIS A 399 11.139 -2.366 4.531 1.00 0.00 C ATOM 763 CE1 HIS A 399 12.996 -1.223 4.302 1.00 0.00 C ATOM 764 NE2 HIS A 399 12.381 -2.113 5.060 1.00 0.00 N ATOM 0 H HIS A 399 8.463 -1.324 0.161 1.00 0.00 H new ATOM 0 HA HIS A 399 11.212 -2.142 0.905 1.00 0.00 H new ATOM 0 HB2 HIS A 399 9.688 -0.406 2.276 1.00 0.00 H new ATOM 0 HB3 HIS A 399 8.978 -1.885 2.894 1.00 0.00 H new ATOM 0 HD2 HIS A 399 10.401 -3.048 4.927 1.00 0.00 H new ATOM 0 HE1 HIS A 399 13.988 -0.829 4.468 1.00 0.00 H new ATOM 0 HE2 HIS A 399 12.766 -2.542 5.901 1.00 0.00 H new ATOM 772 N ILE A 400 10.615 -4.515 1.371 1.00 0.00 N ATOM 773 CA ILE A 400 10.297 -5.935 1.448 1.00 0.00 C ATOM 774 C ILE A 400 10.930 -6.575 2.679 1.00 0.00 C ATOM 775 O ILE A 400 12.085 -6.997 2.649 1.00 0.00 O ATOM 776 CB ILE A 400 10.775 -6.687 0.191 1.00 0.00 C ATOM 777 CG1 ILE A 400 10.127 -6.094 -1.062 1.00 0.00 C ATOM 778 CG2 ILE A 400 10.456 -8.170 0.307 1.00 0.00 C ATOM 779 CD1 ILE A 400 10.549 -6.779 -2.343 1.00 0.00 C ATOM 0 H ILE A 400 11.605 -4.297 1.487 1.00 0.00 H new ATOM 0 HA ILE A 400 9.212 -6.012 1.519 1.00 0.00 H new ATOM 0 HB ILE A 400 11.856 -6.573 0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 400 9.043 -6.158 -0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 400 10.379 -5.036 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 400 10.800 -8.687 -0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 400 10.960 -8.583 1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 400 9.379 -8.303 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 400 10.051 -6.306 -3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 400 11.629 -6.693 -2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 400 10.272 -7.832 -2.301 1.00 0.00 H new ATOM 791 N TYR A 401 10.163 -6.645 3.762 1.00 0.00 N ATOM 792 CA TYR A 401 10.647 -7.233 5.005 1.00 0.00 C ATOM 793 C TYR A 401 11.004 -8.703 4.810 1.00 0.00 C ATOM 794 O TYR A 401 10.174 -9.504 4.375 1.00 0.00 O ATOM 795 CB TYR A 401 9.593 -7.094 6.104 1.00 0.00 C ATOM 796 CG TYR A 401 8.939 -5.731 6.148 1.00 0.00 C ATOM 797 CD1 TYR A 401 7.889 -5.414 5.296 1.00 0.00 C ATOM 798 CD2 TYR A 401 9.374 -4.759 7.041 1.00 0.00 C ATOM 799 CE1 TYR A 401 7.290 -4.169 5.332 1.00 0.00 C ATOM 800 CE2 TYR A 401 8.780 -3.513 7.086 1.00 0.00 C ATOM 801 CZ TYR A 401 7.739 -3.223 6.229 1.00 0.00 C ATOM 802 OH TYR A 401 7.145 -1.982 6.268 1.00 0.00 O ATOM 0 H TYR A 401 9.203 -6.302 3.804 1.00 0.00 H new ATOM 0 HA TYR A 401 11.547 -6.696 5.304 1.00 0.00 H new ATOM 0 HB2 TYR A 401 8.824 -7.852 5.956 1.00 0.00 H new ATOM 0 HB3 TYR A 401 10.058 -7.296 7.069 1.00 0.00 H new ATOM 0 HD1 TYR A 401 7.534 -6.153 4.593 1.00 0.00 H new ATOM 0 HD2 TYR A 401 10.191 -4.982 7.711 1.00 0.00 H new ATOM 0 HE1 TYR A 401 6.475 -3.939 4.662 1.00 0.00 H new ATOM 0 HE2 TYR A 401 9.129 -2.770 7.788 1.00 0.00 H new ATOM 0 HH TYR A 401 7.578 -1.434 6.955 1.00 0.00 H new ATOM 812 N LEU A 402 12.243 -9.052 5.134 1.00 0.00 N ATOM 813 CA LEU A 402 12.712 -10.427 4.995 1.00 0.00 C ATOM 814 C LEU A 402 12.928 -11.069 6.363 1.00 0.00 C ATOM 815 O LEU A 402 13.494 -10.453 7.266 1.00 0.00 O ATOM 816 CB LEU A 402 14.013 -10.464 4.191 1.00 0.00 C ATOM 817 CG LEU A 402 14.003 -9.706 2.864 1.00 0.00 C ATOM 818 CD1 LEU A 402 15.370 -9.774 2.200 1.00 0.00 C ATOM 819 CD2 LEU A 402 12.931 -10.263 1.939 1.00 0.00 C ATOM 0 H LEU A 402 12.942 -8.403 5.495 1.00 0.00 H new ATOM 0 HA LEU A 402 11.948 -10.994 4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 402 14.812 -10.059 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 402 14.263 -11.506 3.990 1.00 0.00 H new ATOM 0 HG LEU A 402 13.772 -8.660 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 402 15.344 -9.229 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 402 16.116 -9.327 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 402 15.631 -10.815 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 402 12.939 -9.711 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 402 13.131 -11.316 1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 402 11.954 -10.161 2.411 1.00 0.00 H new ATOM 831 N ASP A 403 12.474 -12.309 6.505 1.00 0.00 N ATOM 832 CA ASP A 403 12.621 -13.036 7.761 1.00 0.00 C ATOM 833 C ASP A 403 14.083 -13.089 8.192 1.00 0.00 C ATOM 834 O ASP A 403 14.947 -13.544 7.441 1.00 0.00 O ATOM 835 CB ASP A 403 12.066 -14.455 7.621 1.00 0.00 C ATOM 836 CG ASP A 403 11.654 -15.050 8.953 1.00 0.00 C ATOM 837 OD1 ASP A 403 10.852 -14.411 9.666 1.00 0.00 O ATOM 838 OD2 ASP A 403 12.134 -16.154 9.283 1.00 0.00 O ATOM 0 H ASP A 403 12.002 -12.832 5.767 1.00 0.00 H new ATOM 0 HA ASP A 403 12.055 -12.506 8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 403 11.206 -14.441 6.951 1.00 0.00 H new ATOM 0 HB3 ASP A 403 12.820 -15.093 7.159 1.00 0.00 H new ATOM 843 N LYS A 404 14.354 -12.620 9.405 1.00 0.00 N ATOM 844 CA LYS A 404 15.712 -12.613 9.937 1.00 0.00 C ATOM 845 C LYS A 404 16.158 -14.024 10.309 1.00 0.00 C ATOM 846 O LYS A 404 17.285 -14.229 10.757 1.00 0.00 O ATOM 847 CB LYS A 404 15.797 -11.701 11.162 1.00 0.00 C ATOM 848 CG LYS A 404 15.000 -12.204 12.353 1.00 0.00 C ATOM 849 CD LYS A 404 15.473 -11.570 13.650 1.00 0.00 C ATOM 850 CE LYS A 404 16.629 -12.347 14.261 1.00 0.00 C ATOM 851 NZ LYS A 404 17.024 -11.799 15.589 1.00 0.00 N ATOM 0 H LYS A 404 13.651 -12.240 10.039 1.00 0.00 H new ATOM 0 HA LYS A 404 16.377 -12.233 9.162 1.00 0.00 H new ATOM 0 HB2 LYS A 404 16.842 -11.595 11.454 1.00 0.00 H new ATOM 0 HB3 LYS A 404 15.440 -10.708 10.890 1.00 0.00 H new ATOM 0 HG2 LYS A 404 13.943 -11.983 12.204 1.00 0.00 H new ATOM 0 HG3 LYS A 404 15.093 -13.288 12.422 1.00 0.00 H new ATOM 0 HD2 LYS A 404 15.783 -10.542 13.462 1.00 0.00 H new ATOM 0 HD3 LYS A 404 14.646 -11.529 14.359 1.00 0.00 H new ATOM 0 HE2 LYS A 404 16.346 -13.394 14.370 1.00 0.00 H new ATOM 0 HE3 LYS A 404 17.484 -12.316 13.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 404 17.815 -12.355 15.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 404 17.318 -10.807 15.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 404 16.215 -11.852 16.241 1.00 0.00 H new ATOM 865 N GLU A 405 15.267 -14.991 10.118 1.00 0.00 N ATOM 866 CA GLU A 405 15.570 -16.382 10.433 1.00 0.00 C ATOM 867 C GLU A 405 16.058 -17.126 9.194 1.00 0.00 C ATOM 868 O GLU A 405 16.920 -18.002 9.280 1.00 0.00 O ATOM 869 CB GLU A 405 14.335 -17.079 11.007 1.00 0.00 C ATOM 870 CG GLU A 405 13.507 -16.195 11.923 1.00 0.00 C ATOM 871 CD GLU A 405 14.025 -16.183 13.348 1.00 0.00 C ATOM 872 OE1 GLU A 405 14.238 -17.277 13.911 1.00 0.00 O ATOM 873 OE2 GLU A 405 14.220 -15.079 13.899 1.00 0.00 O ATOM 0 H GLU A 405 14.330 -14.837 9.747 1.00 0.00 H new ATOM 0 HA GLU A 405 16.364 -16.394 11.179 1.00 0.00 H new ATOM 0 HB2 GLU A 405 13.708 -17.424 10.185 1.00 0.00 H new ATOM 0 HB3 GLU A 405 14.652 -17.964 11.559 1.00 0.00 H new ATOM 0 HG2 GLU A 405 13.503 -15.177 11.533 1.00 0.00 H new ATOM 0 HG3 GLU A 405 12.474 -16.541 11.919 1.00 0.00 H new ATOM 880 N THR A 406 15.501 -16.772 8.040 1.00 0.00 N ATOM 881 CA THR A 406 15.877 -17.408 6.783 1.00 0.00 C ATOM 882 C THR A 406 16.407 -16.383 5.787 1.00 0.00 C ATOM 883 O THR A 406 17.327 -16.667 5.021 1.00 0.00 O ATOM 884 CB THR A 406 14.686 -18.152 6.151 1.00 0.00 C ATOM 885 OG1 THR A 406 13.561 -17.271 6.039 1.00 0.00 O ATOM 886 CG2 THR A 406 14.304 -19.367 6.982 1.00 0.00 C ATOM 0 H THR A 406 14.788 -16.048 7.950 1.00 0.00 H new ATOM 0 HA THR A 406 16.663 -18.127 7.015 1.00 0.00 H new ATOM 0 HB THR A 406 14.983 -18.490 5.158 1.00 0.00 H new ATOM 0 HG1 THR A 406 12.766 -17.706 6.413 1.00 0.00 H new ATOM 0 HG21 THR A 406 13.461 -19.876 6.516 1.00 0.00 H new ATOM 0 HG22 THR A 406 15.152 -20.049 7.041 1.00 0.00 H new ATOM 0 HG23 THR A 406 14.025 -19.048 7.986 1.00 0.00 H new ATOM 894 N GLY A 407 15.823 -15.189 5.805 1.00 0.00 N ATOM 895 CA GLY A 407 16.251 -14.140 4.898 1.00 0.00 C ATOM 896 C GLY A 407 15.297 -13.952 3.735 1.00 0.00 C ATOM 897 O GLY A 407 15.445 -13.020 2.945 1.00 0.00 O ATOM 0 H GLY A 407 15.061 -14.929 6.431 1.00 0.00 H new ATOM 0 HA2 GLY A 407 16.338 -13.203 5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 407 17.243 -14.378 4.515 1.00 0.00 H new ATOM 901 N LYS A 408 14.314 -14.841 3.629 1.00 0.00 N ATOM 902 CA LYS A 408 13.332 -14.770 2.555 1.00 0.00 C ATOM 903 C LYS A 408 12.225 -13.778 2.895 1.00 0.00 C ATOM 904 O LYS A 408 11.921 -13.525 4.062 1.00 0.00 O ATOM 905 CB LYS A 408 12.730 -16.153 2.295 1.00 0.00 C ATOM 906 CG LYS A 408 11.910 -16.688 3.457 1.00 0.00 C ATOM 907 CD LYS A 408 11.865 -18.207 3.455 1.00 0.00 C ATOM 908 CE LYS A 408 10.584 -18.727 4.089 1.00 0.00 C ATOM 909 NZ LYS A 408 10.070 -17.804 5.139 1.00 0.00 N ATOM 0 H LYS A 408 14.177 -15.619 4.275 1.00 0.00 H new ATOM 0 HA LYS A 408 13.840 -14.426 1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 408 12.099 -16.104 1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 408 13.535 -16.855 2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 408 12.337 -16.337 4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 408 10.896 -16.293 3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 408 11.940 -18.573 2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 408 12.726 -18.598 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 408 9.825 -18.859 3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 408 10.768 -19.708 4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 9.449 -18.328 5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 10.869 -17.405 5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 9.533 -17.034 4.692 1.00 0.00 H new ATOM 923 N PRO A 409 11.604 -13.202 1.854 1.00 0.00 N ATOM 924 CA PRO A 409 10.519 -12.231 2.018 1.00 0.00 C ATOM 925 C PRO A 409 9.242 -12.872 2.552 1.00 0.00 C ATOM 926 O PRO A 409 8.433 -13.398 1.786 1.00 0.00 O ATOM 927 CB PRO A 409 10.299 -11.702 0.599 1.00 0.00 C ATOM 928 CG PRO A 409 10.776 -12.796 -0.292 1.00 0.00 C ATOM 929 CD PRO A 409 11.913 -13.458 0.437 1.00 0.00 C ATOM 0 HA PRO A 409 10.772 -11.456 2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 409 9.248 -11.475 0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 409 10.857 -10.781 0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 409 9.977 -13.508 -0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 409 11.106 -12.401 -1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 409 11.961 -14.526 0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 409 12.875 -13.032 0.152 1.00 0.00 H new ATOM 937 N LYS A 410 9.066 -12.823 3.867 1.00 0.00 N ATOM 938 CA LYS A 410 7.887 -13.398 4.504 1.00 0.00 C ATOM 939 C LYS A 410 6.669 -13.286 3.592 1.00 0.00 C ATOM 940 O LYS A 410 5.962 -14.267 3.361 1.00 0.00 O ATOM 941 CB LYS A 410 7.607 -12.696 5.834 1.00 0.00 C ATOM 942 CG LYS A 410 7.857 -11.198 5.796 1.00 0.00 C ATOM 943 CD LYS A 410 8.135 -10.644 7.184 1.00 0.00 C ATOM 944 CE LYS A 410 6.845 -10.338 7.930 1.00 0.00 C ATOM 945 NZ LYS A 410 6.294 -11.547 8.603 1.00 0.00 N ATOM 0 H LYS A 410 9.725 -12.390 4.514 1.00 0.00 H new ATOM 0 HA LYS A 410 8.084 -14.453 4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 410 6.570 -12.876 6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.232 -13.141 6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 410 8.703 -10.986 5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 410 6.990 -10.694 5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 410 8.724 -11.363 7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 410 8.733 -9.737 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 410 7.030 -9.562 8.672 1.00 0.00 H new ATOM 0 HE3 LYS A 410 6.107 -9.942 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 5.337 -11.738 8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 6.907 -12.364 8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 6.253 -11.385 9.629 1.00 0.00 H new ATOM 959 N GLY A 411 6.429 -12.084 3.076 1.00 0.00 N ATOM 960 CA GLY A 411 5.296 -11.868 2.195 1.00 0.00 C ATOM 961 C GLY A 411 4.754 -10.455 2.284 1.00 0.00 C ATOM 962 O GLY A 411 3.992 -10.020 1.421 1.00 0.00 O ATOM 0 H GLY A 411 6.999 -11.257 3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 411 5.594 -12.076 1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 411 4.504 -12.574 2.446 1.00 0.00 H new ATOM 966 N ASP A 412 5.148 -9.737 3.330 1.00 0.00 N ATOM 967 CA ASP A 412 4.697 -8.365 3.528 1.00 0.00 C ATOM 968 C ASP A 412 5.620 -7.380 2.817 1.00 0.00 C ATOM 969 O ASP A 412 6.792 -7.673 2.581 1.00 0.00 O ATOM 970 CB ASP A 412 4.634 -8.037 5.021 1.00 0.00 C ATOM 971 CG ASP A 412 5.991 -8.120 5.690 1.00 0.00 C ATOM 972 OD1 ASP A 412 6.957 -8.541 5.021 1.00 0.00 O ATOM 973 OD2 ASP A 412 6.088 -7.764 6.884 1.00 0.00 O ATOM 0 H ASP A 412 5.779 -10.082 4.054 1.00 0.00 H new ATOM 0 HA ASP A 412 3.699 -8.272 3.100 1.00 0.00 H new ATOM 0 HB2 ASP A 412 4.228 -7.034 5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 412 3.947 -8.726 5.513 1.00 0.00 H new ATOM 978 N ALA A 413 5.084 -6.213 2.478 1.00 0.00 N ATOM 979 CA ALA A 413 5.860 -5.185 1.796 1.00 0.00 C ATOM 980 C ALA A 413 5.117 -3.854 1.783 1.00 0.00 C ATOM 981 O ALA A 413 3.945 -3.780 2.155 1.00 0.00 O ATOM 982 CB ALA A 413 6.184 -5.625 0.375 1.00 0.00 C ATOM 0 H ALA A 413 4.115 -5.955 2.665 1.00 0.00 H new ATOM 0 HA ALA A 413 6.792 -5.045 2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 413 6.764 -4.848 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 413 6.763 -6.548 0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 413 5.257 -5.794 -0.174 1.00 0.00 H new ATOM 988 N THR A 414 5.806 -2.801 1.354 1.00 0.00 N ATOM 989 CA THR A 414 5.212 -1.471 1.295 1.00 0.00 C ATOM 990 C THR A 414 5.601 -0.751 0.009 1.00 0.00 C ATOM 991 O THR A 414 6.733 -0.870 -0.463 1.00 0.00 O ATOM 992 CB THR A 414 5.639 -0.611 2.500 1.00 0.00 C ATOM 993 OG1 THR A 414 7.015 -0.855 2.813 1.00 0.00 O ATOM 994 CG2 THR A 414 4.776 -0.916 3.715 1.00 0.00 C ATOM 0 H THR A 414 6.776 -2.844 1.042 1.00 0.00 H new ATOM 0 HA THR A 414 4.131 -1.607 1.319 1.00 0.00 H new ATOM 0 HB THR A 414 5.508 0.438 2.234 1.00 0.00 H new ATOM 0 HG1 THR A 414 7.073 -1.460 3.581 1.00 0.00 H new ATOM 0 HG21 THR A 414 5.096 -0.297 4.553 1.00 0.00 H new ATOM 0 HG22 THR A 414 3.733 -0.702 3.483 1.00 0.00 H new ATOM 0 HG23 THR A 414 4.880 -1.968 3.980 1.00 0.00 H new ATOM 1002 N VAL A 415 4.657 -0.004 -0.555 1.00 0.00 N ATOM 1003 CA VAL A 415 4.902 0.737 -1.787 1.00 0.00 C ATOM 1004 C VAL A 415 4.519 2.204 -1.631 1.00 0.00 C ATOM 1005 O VAL A 415 3.348 2.532 -1.438 1.00 0.00 O ATOM 1006 CB VAL A 415 4.119 0.135 -2.968 1.00 0.00 C ATOM 1007 CG1 VAL A 415 4.447 0.874 -4.257 1.00 0.00 C ATOM 1008 CG2 VAL A 415 4.420 -1.350 -3.105 1.00 0.00 C ATOM 0 H VAL A 415 3.715 0.104 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 415 5.970 0.664 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 415 3.053 0.250 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 415 3.885 0.435 -5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 415 4.177 1.925 -4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 415 5.514 0.792 -4.462 1.00 0.00 H new ATOM 0 HG21 VAL A 415 3.858 -1.759 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 415 5.487 -1.490 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 415 4.131 -1.866 -2.189 1.00 0.00 H new ATOM 1018 N SER A 416 5.512 3.082 -1.717 1.00 0.00 N ATOM 1019 CA SER A 416 5.279 4.516 -1.582 1.00 0.00 C ATOM 1020 C SER A 416 5.048 5.159 -2.946 1.00 0.00 C ATOM 1021 O SER A 416 5.943 5.188 -3.791 1.00 0.00 O ATOM 1022 CB SER A 416 6.467 5.183 -0.885 1.00 0.00 C ATOM 1023 OG SER A 416 6.293 5.193 0.520 1.00 0.00 O ATOM 0 H SER A 416 6.486 2.826 -1.880 1.00 0.00 H new ATOM 0 HA SER A 416 4.384 4.659 -0.976 1.00 0.00 H new ATOM 0 HB2 SER A 416 7.385 4.653 -1.137 1.00 0.00 H new ATOM 0 HB3 SER A 416 6.579 6.205 -1.248 1.00 0.00 H new ATOM 0 HG SER A 416 7.066 5.623 0.942 1.00 0.00 H new ATOM 1029 N TYR A 417 3.841 5.673 -3.154 1.00 0.00 N ATOM 1030 CA TYR A 417 3.490 6.314 -4.415 1.00 0.00 C ATOM 1031 C TYR A 417 3.825 7.802 -4.383 1.00 0.00 C ATOM 1032 O TYR A 417 4.035 8.378 -3.315 1.00 0.00 O ATOM 1033 CB TYR A 417 2.001 6.122 -4.712 1.00 0.00 C ATOM 1034 CG TYR A 417 1.655 4.732 -5.197 1.00 0.00 C ATOM 1035 CD1 TYR A 417 1.926 4.343 -6.503 1.00 0.00 C ATOM 1036 CD2 TYR A 417 1.057 3.808 -4.349 1.00 0.00 C ATOM 1037 CE1 TYR A 417 1.610 3.076 -6.950 1.00 0.00 C ATOM 1038 CE2 TYR A 417 0.740 2.537 -4.787 1.00 0.00 C ATOM 1039 CZ TYR A 417 1.018 2.176 -6.089 1.00 0.00 C ATOM 1040 OH TYR A 417 0.703 0.911 -6.531 1.00 0.00 O ATOM 0 H TYR A 417 3.089 5.658 -2.465 1.00 0.00 H new ATOM 0 HA TYR A 417 4.076 5.845 -5.206 1.00 0.00 H new ATOM 0 HB2 TYR A 417 1.428 6.336 -3.809 1.00 0.00 H new ATOM 0 HB3 TYR A 417 1.693 6.848 -5.465 1.00 0.00 H new ATOM 0 HD1 TYR A 417 2.392 5.044 -7.180 1.00 0.00 H new ATOM 0 HD2 TYR A 417 0.836 4.088 -3.330 1.00 0.00 H new ATOM 0 HE1 TYR A 417 1.825 2.791 -7.969 1.00 0.00 H new ATOM 0 HE2 TYR A 417 0.277 1.830 -4.114 1.00 0.00 H new ATOM 0 HH TYR A 417 1.084 0.772 -7.423 1.00 0.00 H new ATOM 1050 N GLU A 418 3.874 8.417 -5.561 1.00 0.00 N ATOM 1051 CA GLU A 418 4.184 9.837 -5.667 1.00 0.00 C ATOM 1052 C GLU A 418 3.216 10.670 -4.832 1.00 0.00 C ATOM 1053 O GLU A 418 3.611 11.309 -3.856 1.00 0.00 O ATOM 1054 CB GLU A 418 4.130 10.286 -7.129 1.00 0.00 C ATOM 1055 CG GLU A 418 5.138 9.580 -8.020 1.00 0.00 C ATOM 1056 CD GLU A 418 6.464 10.311 -8.093 1.00 0.00 C ATOM 1057 OE1 GLU A 418 6.462 11.557 -8.018 1.00 0.00 O ATOM 1058 OE2 GLU A 418 7.506 9.634 -8.225 1.00 0.00 O ATOM 0 H GLU A 418 3.703 7.954 -6.454 1.00 0.00 H new ATOM 0 HA GLU A 418 5.193 9.991 -5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 418 3.127 10.109 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 418 4.305 11.361 -7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.304 8.570 -7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 418 4.725 9.483 -9.024 1.00 0.00 H new ATOM 1065 N ASP A 419 1.946 10.659 -5.222 1.00 0.00 N ATOM 1066 CA ASP A 419 0.920 11.412 -4.510 1.00 0.00 C ATOM 1067 C ASP A 419 -0.112 10.473 -3.892 1.00 0.00 C ATOM 1068 O ASP A 419 -0.300 9.339 -4.334 1.00 0.00 O ATOM 1069 CB ASP A 419 0.231 12.396 -5.457 1.00 0.00 C ATOM 1070 CG ASP A 419 1.206 13.071 -6.401 1.00 0.00 C ATOM 1071 OD1 ASP A 419 2.074 13.826 -5.916 1.00 0.00 O ATOM 1072 OD2 ASP A 419 1.101 12.844 -7.624 1.00 0.00 O ATOM 0 H ASP A 419 1.602 10.137 -6.028 1.00 0.00 H new ATOM 0 HA ASP A 419 1.403 11.970 -3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 419 -0.525 11.868 -6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 419 -0.289 13.155 -4.872 1.00 0.00 H new ATOM 1077 N PRO A 420 -0.798 10.955 -2.845 1.00 0.00 N ATOM 1078 CA PRO A 420 -1.821 10.175 -2.144 1.00 0.00 C ATOM 1079 C PRO A 420 -2.933 9.706 -3.076 1.00 0.00 C ATOM 1080 O PRO A 420 -3.387 8.564 -3.014 1.00 0.00 O ATOM 1081 CB PRO A 420 -2.372 11.162 -1.110 1.00 0.00 C ATOM 1082 CG PRO A 420 -1.301 12.186 -0.956 1.00 0.00 C ATOM 1083 CD PRO A 420 -0.626 12.298 -2.265 1.00 0.00 C ATOM 0 HA PRO A 420 -1.411 9.263 -1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -3.304 11.612 -1.450 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -2.585 10.666 -0.163 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -1.723 13.145 -0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -0.594 11.892 -0.180 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -1.081 13.068 -2.889 1.00 0.00 H new ATOM 0 HD3 PRO A 420 0.427 12.558 -2.155 1.00 0.00 H new ATOM 1091 N PRO A 421 -3.382 10.607 -3.962 1.00 0.00 N ATOM 1092 CA PRO A 421 -4.446 10.306 -4.926 1.00 0.00 C ATOM 1093 C PRO A 421 -4.179 9.022 -5.702 1.00 0.00 C ATOM 1094 O PRO A 421 -5.108 8.356 -6.160 1.00 0.00 O ATOM 1095 CB PRO A 421 -4.423 11.515 -5.866 1.00 0.00 C ATOM 1096 CG PRO A 421 -3.837 12.616 -5.054 1.00 0.00 C ATOM 1097 CD PRO A 421 -2.886 11.987 -4.093 1.00 0.00 C ATOM 0 HA PRO A 421 -5.407 10.146 -4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 421 -3.822 11.315 -6.753 1.00 0.00 H new ATOM 0 HB3 PRO A 421 -5.426 11.768 -6.210 1.00 0.00 H new ATOM 0 HG2 PRO A 421 -3.322 13.335 -5.692 1.00 0.00 H new ATOM 0 HG3 PRO A 421 -4.617 13.162 -4.524 1.00 0.00 H new ATOM 0 HD2 PRO A 421 -1.863 12.011 -4.469 1.00 0.00 H new ATOM 0 HD3 PRO A 421 -2.885 12.505 -3.134 1.00 0.00 H new ATOM 1105 N THR A 422 -2.903 8.678 -5.847 1.00 0.00 N ATOM 1106 CA THR A 422 -2.514 7.473 -6.570 1.00 0.00 C ATOM 1107 C THR A 422 -2.454 6.268 -5.637 1.00 0.00 C ATOM 1108 O THR A 422 -2.918 5.181 -5.981 1.00 0.00 O ATOM 1109 CB THR A 422 -1.145 7.646 -7.254 1.00 0.00 C ATOM 1110 OG1 THR A 422 -1.164 8.797 -8.105 1.00 0.00 O ATOM 1111 CG2 THR A 422 -0.788 6.412 -8.070 1.00 0.00 C ATOM 0 H THR A 422 -2.122 9.217 -5.473 1.00 0.00 H new ATOM 0 HA THR A 422 -3.274 7.302 -7.332 1.00 0.00 H new ATOM 0 HB THR A 422 -0.391 7.781 -6.479 1.00 0.00 H new ATOM 0 HG1 THR A 422 -0.289 8.901 -8.535 1.00 0.00 H new ATOM 0 HG21 THR A 422 0.183 6.557 -8.544 1.00 0.00 H new ATOM 0 HG22 THR A 422 -0.745 5.542 -7.414 1.00 0.00 H new ATOM 0 HG23 THR A 422 -1.546 6.251 -8.837 1.00 0.00 H new ATOM 1119 N ALA A 423 -1.882 6.469 -4.455 1.00 0.00 N ATOM 1120 CA ALA A 423 -1.764 5.399 -3.472 1.00 0.00 C ATOM 1121 C ALA A 423 -3.134 4.846 -3.096 1.00 0.00 C ATOM 1122 O ALA A 423 -3.342 3.632 -3.079 1.00 0.00 O ATOM 1123 CB ALA A 423 -1.037 5.899 -2.231 1.00 0.00 C ATOM 0 H ALA A 423 -1.493 7.363 -4.155 1.00 0.00 H new ATOM 0 HA ALA A 423 -1.184 4.591 -3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 423 -0.956 5.089 -1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 423 -0.039 6.240 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 423 -1.595 6.726 -1.791 1.00 0.00 H new ATOM 1129 N LYS A 424 -4.067 5.743 -2.795 1.00 0.00 N ATOM 1130 CA LYS A 424 -5.419 5.345 -2.420 1.00 0.00 C ATOM 1131 C LYS A 424 -6.083 4.551 -3.541 1.00 0.00 C ATOM 1132 O LYS A 424 -6.804 3.588 -3.287 1.00 0.00 O ATOM 1133 CB LYS A 424 -6.261 6.578 -2.086 1.00 0.00 C ATOM 1134 CG LYS A 424 -5.660 7.449 -0.996 1.00 0.00 C ATOM 1135 CD LYS A 424 -6.462 8.724 -0.794 1.00 0.00 C ATOM 1136 CE LYS A 424 -6.269 9.693 -1.951 1.00 0.00 C ATOM 1137 NZ LYS A 424 -7.230 9.432 -3.058 1.00 0.00 N ATOM 0 H LYS A 424 -3.912 6.751 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.352 4.708 -1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -6.388 7.176 -2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -7.255 6.255 -1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -5.623 6.890 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -4.632 7.702 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -7.519 8.478 -0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -6.158 9.202 0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -6.395 10.715 -1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -5.250 9.611 -2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -7.582 10.336 -3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -6.751 8.906 -3.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -8.029 8.871 -2.699 1.00 0.00 H new ATOM 1151 N ALA A 425 -5.833 4.962 -4.779 1.00 0.00 N ATOM 1152 CA ALA A 425 -6.404 4.288 -5.938 1.00 0.00 C ATOM 1153 C ALA A 425 -5.712 2.952 -6.192 1.00 0.00 C ATOM 1154 O ALA A 425 -6.334 1.999 -6.658 1.00 0.00 O ATOM 1155 CB ALA A 425 -6.306 5.177 -7.168 1.00 0.00 C ATOM 0 H ALA A 425 -5.238 5.759 -5.005 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.455 4.090 -5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -6.736 4.660 -8.026 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -6.852 6.104 -6.991 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -5.259 5.405 -7.370 1.00 0.00 H new ATOM 1161 N ALA A 426 -4.421 2.892 -5.883 1.00 0.00 N ATOM 1162 CA ALA A 426 -3.646 1.674 -6.076 1.00 0.00 C ATOM 1163 C ALA A 426 -4.051 0.600 -5.073 1.00 0.00 C ATOM 1164 O ALA A 426 -4.001 -0.594 -5.371 1.00 0.00 O ATOM 1165 CB ALA A 426 -2.158 1.971 -5.960 1.00 0.00 C ATOM 0 H ALA A 426 -3.890 3.673 -5.498 1.00 0.00 H new ATOM 0 HA ALA A 426 -3.854 1.296 -7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 426 -1.591 1.052 -6.106 1.00 0.00 H new ATOM 0 HB2 ALA A 426 -1.872 2.699 -6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 426 -1.944 2.376 -4.971 1.00 0.00 H new ATOM 1171 N VAL A 427 -4.453 1.030 -3.881 1.00 0.00 N ATOM 1172 CA VAL A 427 -4.868 0.105 -2.833 1.00 0.00 C ATOM 1173 C VAL A 427 -5.997 -0.799 -3.315 1.00 0.00 C ATOM 1174 O VAL A 427 -5.855 -2.020 -3.348 1.00 0.00 O ATOM 1175 CB VAL A 427 -5.329 0.857 -1.571 1.00 0.00 C ATOM 1176 CG1 VAL A 427 -5.825 -0.122 -0.517 1.00 0.00 C ATOM 1177 CG2 VAL A 427 -4.201 1.718 -1.023 1.00 0.00 C ATOM 0 H VAL A 427 -4.500 2.014 -3.617 1.00 0.00 H new ATOM 0 HA VAL A 427 -3.999 -0.505 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.157 1.512 -1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -6.147 0.428 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -6.665 -0.691 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -5.019 -0.805 -0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.544 2.243 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.351 1.085 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -3.898 2.444 -1.777 1.00 0.00 H new ATOM 1187 N GLU A 428 -7.119 -0.189 -3.686 1.00 0.00 N ATOM 1188 CA GLU A 428 -8.274 -0.940 -4.165 1.00 0.00 C ATOM 1189 C GLU A 428 -7.970 -1.608 -5.503 1.00 0.00 C ATOM 1190 O GLU A 428 -8.722 -2.467 -5.964 1.00 0.00 O ATOM 1191 CB GLU A 428 -9.486 -0.017 -4.307 1.00 0.00 C ATOM 1192 CG GLU A 428 -9.947 0.588 -2.991 1.00 0.00 C ATOM 1193 CD GLU A 428 -11.422 0.939 -2.995 1.00 0.00 C ATOM 1194 OE1 GLU A 428 -12.181 0.296 -3.751 1.00 0.00 O ATOM 1195 OE2 GLU A 428 -11.817 1.856 -2.245 1.00 0.00 O ATOM 0 H GLU A 428 -7.252 0.822 -3.664 1.00 0.00 H new ATOM 0 HA GLU A 428 -8.501 -1.716 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 428 -9.241 0.787 -5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 428 -10.310 -0.578 -4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 428 -9.747 -0.115 -2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 428 -9.364 1.486 -2.784 1.00 0.00 H new ATOM 1202 N TRP A 429 -6.865 -1.209 -6.119 1.00 0.00 N ATOM 1203 CA TRP A 429 -6.461 -1.769 -7.405 1.00 0.00 C ATOM 1204 C TRP A 429 -5.791 -3.125 -7.221 1.00 0.00 C ATOM 1205 O TRP A 429 -6.201 -4.118 -7.823 1.00 0.00 O ATOM 1206 CB TRP A 429 -5.513 -0.811 -8.128 1.00 0.00 C ATOM 1207 CG TRP A 429 -4.823 -1.433 -9.304 1.00 0.00 C ATOM 1208 CD1 TRP A 429 -4.009 -2.528 -9.290 1.00 0.00 C ATOM 1209 CD2 TRP A 429 -4.885 -0.993 -10.664 1.00 0.00 C ATOM 1210 NE1 TRP A 429 -3.560 -2.797 -10.561 1.00 0.00 N ATOM 1211 CE2 TRP A 429 -4.085 -1.870 -11.423 1.00 0.00 C ATOM 1212 CE3 TRP A 429 -5.540 0.054 -11.317 1.00 0.00 C ATOM 1213 CZ2 TRP A 429 -3.923 -1.728 -12.798 1.00 0.00 C ATOM 1214 CZ3 TRP A 429 -5.379 0.193 -12.683 1.00 0.00 C ATOM 1215 CH2 TRP A 429 -4.576 -0.695 -13.411 1.00 0.00 C ATOM 0 H TRP A 429 -6.231 -0.500 -5.750 1.00 0.00 H new ATOM 0 HA TRP A 429 -7.357 -1.906 -8.010 1.00 0.00 H new ATOM 0 HB2 TRP A 429 -6.075 0.060 -8.465 1.00 0.00 H new ATOM 0 HB3 TRP A 429 -4.763 -0.453 -7.423 1.00 0.00 H new ATOM 0 HD1 TRP A 429 -3.755 -3.099 -8.410 1.00 0.00 H new ATOM 0 HE1 TRP A 429 -2.937 -3.562 -10.820 1.00 0.00 H new ATOM 0 HE3 TRP A 429 -6.161 0.743 -10.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 429 -3.303 -2.410 -13.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 429 -5.880 0.999 -13.198 1.00 0.00 H new ATOM 0 HH2 TRP A 429 -4.471 -0.561 -14.477 1.00 0.00 H new ATOM 1226 N PHE A 430 -4.757 -3.162 -6.386 1.00 0.00 N ATOM 1227 CA PHE A 430 -4.029 -4.397 -6.125 1.00 0.00 C ATOM 1228 C PHE A 430 -4.666 -5.171 -4.975 1.00 0.00 C ATOM 1229 O PHE A 430 -4.375 -6.349 -4.768 1.00 0.00 O ATOM 1230 CB PHE A 430 -2.565 -4.093 -5.799 1.00 0.00 C ATOM 1231 CG PHE A 430 -1.854 -3.340 -6.888 1.00 0.00 C ATOM 1232 CD1 PHE A 430 -1.376 -4.001 -8.007 1.00 0.00 C ATOM 1233 CD2 PHE A 430 -1.662 -1.971 -6.790 1.00 0.00 C ATOM 1234 CE1 PHE A 430 -0.721 -3.310 -9.010 1.00 0.00 C ATOM 1235 CE2 PHE A 430 -1.009 -1.275 -7.789 1.00 0.00 C ATOM 1236 CZ PHE A 430 -0.537 -1.946 -8.901 1.00 0.00 C ATOM 0 H PHE A 430 -4.405 -2.350 -5.879 1.00 0.00 H new ATOM 0 HA PHE A 430 -4.074 -5.012 -7.024 1.00 0.00 H new ATOM 0 HB2 PHE A 430 -2.519 -3.513 -4.877 1.00 0.00 H new ATOM 0 HB3 PHE A 430 -2.040 -5.030 -5.613 1.00 0.00 H new ATOM 0 HD1 PHE A 430 -1.516 -5.068 -8.097 1.00 0.00 H new ATOM 0 HD2 PHE A 430 -2.027 -1.442 -5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 430 -0.354 -3.837 -9.878 1.00 0.00 H new ATOM 0 HE2 PHE A 430 -0.868 -0.208 -7.701 1.00 0.00 H new ATOM 0 HZ PHE A 430 -0.025 -1.405 -9.683 1.00 0.00 H new ATOM 1246 N ASP A 431 -5.536 -4.499 -4.228 1.00 0.00 N ATOM 1247 CA ASP A 431 -6.216 -5.123 -3.098 1.00 0.00 C ATOM 1248 C ASP A 431 -7.012 -6.343 -3.549 1.00 0.00 C ATOM 1249 O ASP A 431 -8.162 -6.225 -3.971 1.00 0.00 O ATOM 1250 CB ASP A 431 -7.143 -4.116 -2.416 1.00 0.00 C ATOM 1251 CG ASP A 431 -8.311 -4.787 -1.717 1.00 0.00 C ATOM 1252 OD1 ASP A 431 -8.081 -5.786 -1.004 1.00 0.00 O ATOM 1253 OD2 ASP A 431 -9.453 -4.311 -1.882 1.00 0.00 O ATOM 0 H ASP A 431 -5.787 -3.523 -4.384 1.00 0.00 H new ATOM 0 HA ASP A 431 -5.459 -5.450 -2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 431 -6.573 -3.535 -1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 431 -7.522 -3.414 -3.159 1.00 0.00 H new ATOM 1258 N GLY A 432 -6.392 -7.515 -3.459 1.00 0.00 N ATOM 1259 CA GLY A 432 -7.057 -8.741 -3.862 1.00 0.00 C ATOM 1260 C GLY A 432 -6.499 -9.305 -5.153 1.00 0.00 C ATOM 1261 O GLY A 432 -7.110 -10.173 -5.776 1.00 0.00 O ATOM 0 H GLY A 432 -5.440 -7.638 -3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 432 -6.955 -9.483 -3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 432 -8.123 -8.549 -3.984 1.00 0.00 H new ATOM 1265 N LYS A 433 -5.334 -8.811 -5.558 1.00 0.00 N ATOM 1266 CA LYS A 433 -4.692 -9.270 -6.784 1.00 0.00 C ATOM 1267 C LYS A 433 -4.094 -10.662 -6.597 1.00 0.00 C ATOM 1268 O LYS A 433 -4.019 -11.170 -5.478 1.00 0.00 O ATOM 1269 CB LYS A 433 -3.599 -8.289 -7.211 1.00 0.00 C ATOM 1270 CG LYS A 433 -4.096 -7.190 -8.135 1.00 0.00 C ATOM 1271 CD LYS A 433 -4.401 -7.727 -9.525 1.00 0.00 C ATOM 1272 CE LYS A 433 -5.291 -6.772 -10.307 1.00 0.00 C ATOM 1273 NZ LYS A 433 -6.725 -6.919 -9.933 1.00 0.00 N ATOM 0 H LYS A 433 -4.815 -8.092 -5.054 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.452 -9.321 -7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -3.162 -7.835 -6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -2.803 -8.840 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -4.993 -6.737 -7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -3.344 -6.404 -8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -3.469 -7.885 -10.068 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -4.890 -8.697 -9.442 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -4.971 -5.746 -10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -5.173 -6.958 -11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -7.299 -6.252 -10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -7.037 -7.891 -10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -6.842 -6.717 -8.920 1.00 0.00 H new ATOM 1287 N ASP A 434 -3.671 -11.272 -7.698 1.00 0.00 N ATOM 1288 CA ASP A 434 -3.078 -12.603 -7.655 1.00 0.00 C ATOM 1289 C ASP A 434 -1.596 -12.551 -8.014 1.00 0.00 C ATOM 1290 O ASP A 434 -1.232 -12.249 -9.150 1.00 0.00 O ATOM 1291 CB ASP A 434 -3.814 -13.544 -8.611 1.00 0.00 C ATOM 1292 CG ASP A 434 -3.438 -13.307 -10.060 1.00 0.00 C ATOM 1293 OD1 ASP A 434 -3.878 -12.286 -10.627 1.00 0.00 O ATOM 1294 OD2 ASP A 434 -2.702 -14.143 -10.626 1.00 0.00 O ATOM 0 H ASP A 434 -3.728 -10.866 -8.632 1.00 0.00 H new ATOM 0 HA ASP A 434 -3.173 -12.983 -6.638 1.00 0.00 H new ATOM 0 HB2 ASP A 434 -3.589 -14.577 -8.345 1.00 0.00 H new ATOM 0 HB3 ASP A 434 -4.889 -13.411 -8.491 1.00 0.00 H new ATOM 1299 N PHE A 435 -0.745 -12.845 -7.036 1.00 0.00 N ATOM 1300 CA PHE A 435 0.698 -12.829 -7.249 1.00 0.00 C ATOM 1301 C PHE A 435 1.287 -14.227 -7.085 1.00 0.00 C ATOM 1302 O PHE A 435 1.401 -14.737 -5.971 1.00 0.00 O ATOM 1303 CB PHE A 435 1.368 -11.863 -6.269 1.00 0.00 C ATOM 1304 CG PHE A 435 2.622 -11.237 -6.809 1.00 0.00 C ATOM 1305 CD1 PHE A 435 2.556 -10.183 -7.707 1.00 0.00 C ATOM 1306 CD2 PHE A 435 3.867 -11.701 -6.418 1.00 0.00 C ATOM 1307 CE1 PHE A 435 3.708 -9.607 -8.205 1.00 0.00 C ATOM 1308 CE2 PHE A 435 5.024 -11.128 -6.912 1.00 0.00 C ATOM 1309 CZ PHE A 435 4.944 -10.078 -7.806 1.00 0.00 C ATOM 0 H PHE A 435 -1.029 -13.097 -6.089 1.00 0.00 H new ATOM 0 HA PHE A 435 0.887 -12.491 -8.268 1.00 0.00 H new ATOM 0 HB2 PHE A 435 0.662 -11.075 -6.007 1.00 0.00 H new ATOM 0 HB3 PHE A 435 1.605 -12.397 -5.349 1.00 0.00 H new ATOM 0 HD1 PHE A 435 1.593 -9.808 -8.021 1.00 0.00 H new ATOM 0 HD2 PHE A 435 3.935 -12.521 -5.718 1.00 0.00 H new ATOM 0 HE1 PHE A 435 3.643 -8.788 -8.906 1.00 0.00 H new ATOM 0 HE2 PHE A 435 5.988 -11.500 -6.600 1.00 0.00 H new ATOM 0 HZ PHE A 435 5.846 -9.626 -8.192 1.00 0.00 H new ATOM 1319 N GLN A 436 1.659 -14.840 -8.204 1.00 0.00 N ATOM 1320 CA GLN A 436 2.234 -16.180 -8.185 1.00 0.00 C ATOM 1321 C GLN A 436 1.245 -17.190 -7.614 1.00 0.00 C ATOM 1322 O GLN A 436 1.626 -18.101 -6.881 1.00 0.00 O ATOM 1323 CB GLN A 436 3.524 -16.191 -7.362 1.00 0.00 C ATOM 1324 CG GLN A 436 4.664 -15.418 -8.007 1.00 0.00 C ATOM 1325 CD GLN A 436 5.995 -15.665 -7.326 1.00 0.00 C ATOM 1326 OE1 GLN A 436 6.263 -16.764 -6.839 1.00 0.00 O ATOM 1327 NE2 GLN A 436 6.841 -14.641 -7.289 1.00 0.00 N ATOM 0 H GLN A 436 1.573 -14.431 -9.134 1.00 0.00 H new ATOM 0 HA GLN A 436 2.462 -16.465 -9.212 1.00 0.00 H new ATOM 0 HB2 GLN A 436 3.321 -15.769 -6.378 1.00 0.00 H new ATOM 0 HB3 GLN A 436 3.838 -17.223 -7.207 1.00 0.00 H new ATOM 0 HG2 GLN A 436 4.740 -15.699 -9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 436 4.438 -14.352 -7.978 1.00 0.00 H new ATOM 0 HE21 GLN A 436 6.579 -13.747 -7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 436 7.753 -14.749 -6.845 1.00 0.00 H new ATOM 1336 N GLY A 437 -0.029 -17.022 -7.956 1.00 0.00 N ATOM 1337 CA GLY A 437 -1.053 -17.926 -7.468 1.00 0.00 C ATOM 1338 C GLY A 437 -1.560 -17.540 -6.093 1.00 0.00 C ATOM 1339 O GLY A 437 -2.598 -18.029 -5.647 1.00 0.00 O ATOM 0 H GLY A 437 -0.370 -16.276 -8.562 1.00 0.00 H new ATOM 0 HA2 GLY A 437 -1.887 -17.937 -8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 437 -0.652 -18.939 -7.433 1.00 0.00 H new ATOM 1343 N SER A 438 -0.826 -16.661 -5.418 1.00 0.00 N ATOM 1344 CA SER A 438 -1.204 -16.214 -4.082 1.00 0.00 C ATOM 1345 C SER A 438 -2.011 -14.921 -4.151 1.00 0.00 C ATOM 1346 O SER A 438 -2.095 -14.283 -5.200 1.00 0.00 O ATOM 1347 CB SER A 438 0.042 -16.006 -3.219 1.00 0.00 C ATOM 1348 OG SER A 438 0.527 -17.240 -2.718 1.00 0.00 O ATOM 0 H SER A 438 0.034 -16.244 -5.774 1.00 0.00 H new ATOM 0 HA SER A 438 -1.825 -16.986 -3.629 1.00 0.00 H new ATOM 0 HB2 SER A 438 0.819 -15.518 -3.808 1.00 0.00 H new ATOM 0 HB3 SER A 438 -0.194 -15.340 -2.389 1.00 0.00 H new ATOM 0 HG SER A 438 1.324 -17.080 -2.171 1.00 0.00 H new ATOM 1354 N LYS A 439 -2.603 -14.541 -3.024 1.00 0.00 N ATOM 1355 CA LYS A 439 -3.403 -13.324 -2.953 1.00 0.00 C ATOM 1356 C LYS A 439 -2.664 -12.231 -2.188 1.00 0.00 C ATOM 1357 O LYS A 439 -2.072 -12.484 -1.138 1.00 0.00 O ATOM 1358 CB LYS A 439 -4.747 -13.612 -2.279 1.00 0.00 C ATOM 1359 CG LYS A 439 -5.855 -12.662 -2.703 1.00 0.00 C ATOM 1360 CD LYS A 439 -6.959 -12.594 -1.661 1.00 0.00 C ATOM 1361 CE LYS A 439 -7.996 -13.686 -1.874 1.00 0.00 C ATOM 1362 NZ LYS A 439 -9.219 -13.457 -1.058 1.00 0.00 N ATOM 0 H LYS A 439 -2.544 -15.058 -2.147 1.00 0.00 H new ATOM 0 HA LYS A 439 -3.580 -12.975 -3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 439 -5.048 -14.634 -2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 439 -4.622 -13.552 -1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -5.441 -11.666 -2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 439 -6.272 -12.989 -3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 439 -6.527 -12.691 -0.665 1.00 0.00 H new ATOM 0 HD3 LYS A 439 -7.443 -11.618 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 439 -8.266 -13.729 -2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 439 -7.563 -14.653 -1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 -9.901 -14.223 -1.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 -8.966 -13.441 -0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 -9.647 -12.546 -1.322 1.00 0.00 H new ATOM 1376 N LEU A 440 -2.701 -11.014 -2.721 1.00 0.00 N ATOM 1377 CA LEU A 440 -2.035 -9.881 -2.088 1.00 0.00 C ATOM 1378 C LEU A 440 -3.042 -8.992 -1.365 1.00 0.00 C ATOM 1379 O LEU A 440 -4.175 -8.824 -1.817 1.00 0.00 O ATOM 1380 CB LEU A 440 -1.273 -9.064 -3.133 1.00 0.00 C ATOM 1381 CG LEU A 440 -0.332 -9.851 -4.044 1.00 0.00 C ATOM 1382 CD1 LEU A 440 0.683 -8.921 -4.693 1.00 0.00 C ATOM 1383 CD2 LEU A 440 0.372 -10.949 -3.263 1.00 0.00 C ATOM 0 H LEU A 440 -3.185 -10.787 -3.590 1.00 0.00 H new ATOM 0 HA LEU A 440 -1.329 -10.269 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 440 -1.999 -8.543 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 440 -0.691 -8.301 -2.615 1.00 0.00 H new ATOM 0 HG LEU A 440 -0.925 -10.316 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 440 1.345 -9.498 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 440 0.161 -8.171 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 440 1.271 -8.427 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 440 1.038 -11.499 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 440 0.952 -10.505 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 440 -0.369 -11.631 -2.846 1.00 0.00 H new ATOM 1395 N LYS A 441 -2.621 -8.423 -0.241 1.00 0.00 N ATOM 1396 CA LYS A 441 -3.484 -7.548 0.545 1.00 0.00 C ATOM 1397 C LYS A 441 -2.880 -6.152 0.661 1.00 0.00 C ATOM 1398 O LYS A 441 -1.902 -5.947 1.381 1.00 0.00 O ATOM 1399 CB LYS A 441 -3.709 -8.138 1.938 1.00 0.00 C ATOM 1400 CG LYS A 441 -4.683 -9.303 1.957 1.00 0.00 C ATOM 1401 CD LYS A 441 -5.134 -9.631 3.370 1.00 0.00 C ATOM 1402 CE LYS A 441 -6.231 -8.687 3.838 1.00 0.00 C ATOM 1403 NZ LYS A 441 -6.488 -8.817 5.299 1.00 0.00 N ATOM 0 H LYS A 441 -1.687 -8.552 0.147 1.00 0.00 H new ATOM 0 HA LYS A 441 -4.443 -7.468 0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 441 -2.752 -8.469 2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 441 -4.080 -7.355 2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 441 -5.551 -9.062 1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 441 -4.212 -10.179 1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 441 -5.496 -10.658 3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 441 -4.283 -9.567 4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 441 -5.948 -7.660 3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 441 -7.149 -8.895 3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 441 -7.242 -8.157 5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 441 -6.782 -9.791 5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 441 -5.619 -8.594 5.826 1.00 0.00 H new ATOM 1417 N VAL A 442 -3.471 -5.196 -0.047 1.00 0.00 N ATOM 1418 CA VAL A 442 -2.993 -3.818 -0.021 1.00 0.00 C ATOM 1419 C VAL A 442 -3.887 -2.943 0.852 1.00 0.00 C ATOM 1420 O VAL A 442 -5.112 -3.031 0.786 1.00 0.00 O ATOM 1421 CB VAL A 442 -2.930 -3.218 -1.438 1.00 0.00 C ATOM 1422 CG1 VAL A 442 -2.124 -1.929 -1.436 1.00 0.00 C ATOM 1423 CG2 VAL A 442 -2.343 -4.224 -2.417 1.00 0.00 C ATOM 0 H VAL A 442 -4.282 -5.350 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 442 -1.988 -3.839 0.400 1.00 0.00 H new ATOM 0 HB VAL A 442 -3.944 -2.983 -1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 442 -2.090 -1.519 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 442 -2.593 -1.208 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 442 -1.110 -2.135 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 442 -2.306 -3.783 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 442 -1.335 -4.493 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 442 -2.967 -5.117 -2.439 1.00 0.00 H new ATOM 1433 N SER A 443 -3.264 -2.100 1.669 1.00 0.00 N ATOM 1434 CA SER A 443 -4.002 -1.211 2.557 1.00 0.00 C ATOM 1435 C SER A 443 -3.151 -0.008 2.952 1.00 0.00 C ATOM 1436 O SER A 443 -2.031 -0.159 3.443 1.00 0.00 O ATOM 1437 CB SER A 443 -4.452 -1.965 3.810 1.00 0.00 C ATOM 1438 OG SER A 443 -5.195 -3.122 3.470 1.00 0.00 O ATOM 0 H SER A 443 -2.250 -2.014 1.734 1.00 0.00 H new ATOM 0 HA SER A 443 -4.881 -0.852 2.022 1.00 0.00 H new ATOM 0 HB2 SER A 443 -3.580 -2.249 4.400 1.00 0.00 H new ATOM 0 HB3 SER A 443 -5.059 -1.309 4.434 1.00 0.00 H new ATOM 0 HG SER A 443 -5.555 -3.025 2.564 1.00 0.00 H new ATOM 1444 N LEU A 444 -3.690 1.187 2.735 1.00 0.00 N ATOM 1445 CA LEU A 444 -2.982 2.418 3.067 1.00 0.00 C ATOM 1446 C LEU A 444 -2.141 2.239 4.328 1.00 0.00 C ATOM 1447 O LEU A 444 -2.657 1.870 5.382 1.00 0.00 O ATOM 1448 CB LEU A 444 -3.974 3.565 3.260 1.00 0.00 C ATOM 1449 CG LEU A 444 -4.484 4.235 1.984 1.00 0.00 C ATOM 1450 CD1 LEU A 444 -5.429 5.377 2.321 1.00 0.00 C ATOM 1451 CD2 LEU A 444 -3.319 4.735 1.142 1.00 0.00 C ATOM 0 H LEU A 444 -4.615 1.329 2.330 1.00 0.00 H new ATOM 0 HA LEU A 444 -2.316 2.659 2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -4.832 3.187 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -3.502 4.326 3.882 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.035 3.495 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -5.781 5.841 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.280 4.991 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -4.904 6.118 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -3.701 5.209 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -2.741 5.460 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -2.680 3.895 0.869 1.00 0.00 H new