USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 581 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 527 SER OG : rot 180:sc= -0.179 USER MOD Set 1.2: A 529 HIS : no HD1:sc= -0.244 X(o=-0.42,f=0.047) USER MOD Set 2.1: A 522 ASN : amide:sc= -0.268 X(o=-0.49,f=-0.99) USER MOD Set 2.2: A 526 HIS : no HD1:sc= -0.225 K(o=-0.49,f=-2.1) USER MOD Single : A 462 SER OG : rot 41:sc= 1.18 USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 ASN : amide:sc= 0.707 K(o=0.71,f=-1.2) USER MOD Single : A 472 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 474 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.2) USER MOD Single : A 475 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD Single : A 484 THR OG1 : rot 46:sc= 1.24 USER MOD Single : A 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 490 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 THR OG1 : rot -50:sc= 0.49 USER MOD Single : A 514 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 515 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00259) USER MOD Single : A 525 CYS SG : rot 180:sc= 0 USER MOD Single : A 528 THR OG1 : rot -20:sc= -0.758 USER MOD Single : A 531 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N SER A 462 5.780 1.013 -7.272 1.00 0.00 N ATOM 203 CA SER A 462 5.999 0.269 -6.037 1.00 0.00 C ATOM 204 C SER A 462 5.145 0.832 -4.905 1.00 0.00 C ATOM 205 O SER A 462 5.595 1.679 -4.134 1.00 0.00 O ATOM 206 CB SER A 462 7.477 0.312 -5.646 1.00 0.00 C ATOM 207 OG SER A 462 7.887 1.635 -5.346 1.00 0.00 O ATOM 0 HA SER A 462 5.706 -0.767 -6.209 1.00 0.00 H new ATOM 0 HB2 SER A 462 7.646 -0.329 -4.781 1.00 0.00 H new ATOM 0 HB3 SER A 462 8.084 -0.084 -6.460 1.00 0.00 H new ATOM 0 HG SER A 462 7.187 2.085 -4.828 1.00 0.00 H new ATOM 213 N LYS A 463 3.908 0.355 -4.812 1.00 0.00 N ATOM 214 CA LYS A 463 2.989 0.808 -3.775 1.00 0.00 C ATOM 215 C LYS A 463 2.074 -0.327 -3.325 1.00 0.00 C ATOM 216 O LYS A 463 1.481 -1.022 -4.151 1.00 0.00 O ATOM 217 CB LYS A 463 2.150 1.982 -4.285 1.00 0.00 C ATOM 218 CG LYS A 463 2.924 3.285 -4.382 1.00 0.00 C ATOM 219 CD LYS A 463 2.005 4.489 -4.264 1.00 0.00 C ATOM 220 CE LYS A 463 1.355 4.828 -5.596 1.00 0.00 C ATOM 221 NZ LYS A 463 2.197 5.753 -6.405 1.00 0.00 N ATOM 0 H LYS A 463 3.519 -0.346 -5.443 1.00 0.00 H new ATOM 0 HA LYS A 463 3.580 1.136 -2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 463 1.750 1.732 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 463 1.297 2.124 -3.621 1.00 0.00 H new ATOM 0 HG2 LYS A 463 3.676 3.322 -3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 463 3.456 3.324 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 463 1.232 4.287 -3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 463 2.573 5.348 -3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 463 1.180 3.911 -6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 463 0.381 5.284 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 1.719 5.960 -7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 2.343 6.638 -5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 3.117 5.308 -6.596 1.00 0.00 H new ATOM 235 N ILE A 464 1.964 -0.508 -2.013 1.00 0.00 N ATOM 236 CA ILE A 464 1.119 -1.556 -1.456 1.00 0.00 C ATOM 237 C ILE A 464 -0.105 -0.966 -0.763 1.00 0.00 C ATOM 238 O ILE A 464 0.005 -0.358 0.303 1.00 0.00 O ATOM 239 CB ILE A 464 1.894 -2.429 -0.450 1.00 0.00 C ATOM 240 CG1 ILE A 464 3.126 -3.042 -1.118 1.00 0.00 C ATOM 241 CG2 ILE A 464 0.992 -3.517 0.112 1.00 0.00 C ATOM 242 CD1 ILE A 464 4.137 -3.590 -0.135 1.00 0.00 C ATOM 0 H ILE A 464 2.449 0.058 -1.317 1.00 0.00 H new ATOM 0 HA ILE A 464 0.796 -2.178 -2.291 1.00 0.00 H new ATOM 0 HB ILE A 464 2.227 -1.799 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 464 2.807 -3.844 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.607 -2.286 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.554 -4.125 0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 464 0.143 -3.059 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 464 0.632 -4.147 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 464 4.984 -4.009 -0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 464 4.485 -2.787 0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 464 3.672 -4.370 0.468 1.00 0.00 H new ATOM 254 N LEU A 465 -1.270 -1.151 -1.373 1.00 0.00 N ATOM 255 CA LEU A 465 -2.516 -0.638 -0.814 1.00 0.00 C ATOM 256 C LEU A 465 -3.326 -1.759 -0.170 1.00 0.00 C ATOM 257 O LEU A 465 -3.875 -2.618 -0.860 1.00 0.00 O ATOM 258 CB LEU A 465 -3.345 0.044 -1.904 1.00 0.00 C ATOM 259 CG LEU A 465 -4.837 0.205 -1.611 1.00 0.00 C ATOM 260 CD1 LEU A 465 -5.050 1.116 -0.412 1.00 0.00 C ATOM 261 CD2 LEU A 465 -5.565 0.747 -2.832 1.00 0.00 C ATOM 0 H LEU A 465 -1.378 -1.652 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 465 -2.266 0.093 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 465 -2.923 1.032 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 465 -3.236 -0.527 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 465 -5.249 -0.776 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 465 -6.118 1.219 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 465 -4.562 0.686 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 465 -4.623 2.097 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 465 -6.626 0.855 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 465 -5.151 1.719 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 465 -5.441 0.056 -3.666 1.00 0.00 H new ATOM 273 N VAL A 466 -3.398 -1.744 1.157 1.00 0.00 N ATOM 274 CA VAL A 466 -4.143 -2.757 1.895 1.00 0.00 C ATOM 275 C VAL A 466 -5.561 -2.285 2.196 1.00 0.00 C ATOM 276 O VAL A 466 -5.774 -1.138 2.591 1.00 0.00 O ATOM 277 CB VAL A 466 -3.442 -3.118 3.217 1.00 0.00 C ATOM 278 CG1 VAL A 466 -3.128 -1.862 4.016 1.00 0.00 C ATOM 279 CG2 VAL A 466 -4.299 -4.076 4.031 1.00 0.00 C ATOM 0 H VAL A 466 -2.949 -1.041 1.744 1.00 0.00 H new ATOM 0 HA VAL A 466 -4.185 -3.643 1.262 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.501 -3.617 2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.633 -2.137 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -2.472 -1.215 3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -4.054 -1.333 4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -3.788 -4.320 4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -5.257 -3.606 4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -4.468 -4.989 3.459 1.00 0.00 H new ATOM 289 N ARG A 467 -6.528 -3.176 2.008 1.00 0.00 N ATOM 290 CA ARG A 467 -7.927 -2.851 2.259 1.00 0.00 C ATOM 291 C ARG A 467 -8.524 -3.789 3.304 1.00 0.00 C ATOM 292 O ARG A 467 -7.939 -4.820 3.633 1.00 0.00 O ATOM 293 CB ARG A 467 -8.733 -2.934 0.962 1.00 0.00 C ATOM 294 CG ARG A 467 -8.754 -1.636 0.173 1.00 0.00 C ATOM 295 CD ARG A 467 -9.811 -1.664 -0.920 1.00 0.00 C ATOM 296 NE ARG A 467 -11.147 -1.395 -0.395 1.00 0.00 N ATOM 297 CZ ARG A 467 -12.266 -1.730 -1.027 1.00 0.00 C ATOM 298 NH1 ARG A 467 -12.210 -2.345 -2.201 1.00 0.00 N ATOM 299 NH2 ARG A 467 -13.445 -1.451 -0.486 1.00 0.00 N ATOM 0 H ARG A 467 -6.369 -4.129 1.682 1.00 0.00 H new ATOM 0 HA ARG A 467 -7.974 -1.832 2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -8.317 -3.723 0.336 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -9.757 -3.222 1.199 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -8.949 -0.802 0.848 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -7.774 -1.464 -0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -9.565 -0.924 -1.682 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -9.802 -2.639 -1.408 1.00 0.00 H new ATOM 0 HE ARG A 467 -11.225 -0.924 0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -11.306 -2.562 -2.621 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -13.071 -2.601 -2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -13.493 -0.978 0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -14.303 -1.709 -0.973 1.00 0.00 H new ATOM 313 N ASN A 468 -9.693 -3.424 3.821 1.00 0.00 N ATOM 314 CA ASN A 468 -10.369 -4.233 4.828 1.00 0.00 C ATOM 315 C ASN A 468 -9.624 -4.179 6.159 1.00 0.00 C ATOM 316 O ASN A 468 -9.618 -5.148 6.918 1.00 0.00 O ATOM 317 CB ASN A 468 -10.486 -5.683 4.354 1.00 0.00 C ATOM 318 CG ASN A 468 -11.604 -6.432 5.054 1.00 0.00 C ATOM 319 OD1 ASN A 468 -12.643 -5.857 5.377 1.00 0.00 O ATOM 320 ND2 ASN A 468 -11.394 -7.721 5.291 1.00 0.00 N ATOM 0 H ASN A 468 -10.191 -2.573 3.559 1.00 0.00 H new ATOM 0 HA ASN A 468 -11.369 -3.825 4.975 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -10.661 -5.698 3.278 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -9.541 -6.197 4.531 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -12.110 -8.277 5.759 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -10.517 -8.156 5.005 1.00 0.00 H new ATOM 327 N ILE A 469 -8.998 -3.040 6.434 1.00 0.00 N ATOM 328 CA ILE A 469 -8.252 -2.859 7.673 1.00 0.00 C ATOM 329 C ILE A 469 -9.192 -2.642 8.854 1.00 0.00 C ATOM 330 O ILE A 469 -10.097 -1.807 8.814 1.00 0.00 O ATOM 331 CB ILE A 469 -7.282 -1.667 7.577 1.00 0.00 C ATOM 332 CG1 ILE A 469 -6.221 -1.930 6.506 1.00 0.00 C ATOM 333 CG2 ILE A 469 -6.628 -1.407 8.926 1.00 0.00 C ATOM 334 CD1 ILE A 469 -5.539 -0.674 6.010 1.00 0.00 C ATOM 0 H ILE A 469 -8.993 -2.229 5.816 1.00 0.00 H new ATOM 0 HA ILE A 469 -7.678 -3.772 7.832 1.00 0.00 H new ATOM 0 HB ILE A 469 -7.847 -0.779 7.292 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -5.468 -2.607 6.910 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -6.687 -2.438 5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -5.945 -0.562 8.842 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -7.396 -1.181 9.665 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -6.073 -2.292 9.238 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -4.800 -0.936 5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -6.281 -0.004 5.576 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -5.044 -0.175 6.843 1.00 0.00 H new ATOM 346 N PRO A 470 -8.974 -3.408 9.933 1.00 0.00 N ATOM 347 CA PRO A 470 -9.789 -3.316 11.148 1.00 0.00 C ATOM 348 C PRO A 470 -9.557 -2.013 11.905 1.00 0.00 C ATOM 349 O PRO A 470 -8.427 -1.534 12.003 1.00 0.00 O ATOM 350 CB PRO A 470 -9.320 -4.510 11.982 1.00 0.00 C ATOM 351 CG PRO A 470 -7.932 -4.778 11.512 1.00 0.00 C ATOM 352 CD PRO A 470 -7.913 -4.423 10.051 1.00 0.00 C ATOM 0 HA PRO A 470 -10.856 -3.328 10.924 1.00 0.00 H new ATOM 0 HB2 PRO A 470 -9.340 -4.281 13.047 1.00 0.00 H new ATOM 0 HB3 PRO A 470 -9.964 -5.376 11.830 1.00 0.00 H new ATOM 0 HG2 PRO A 470 -7.210 -4.180 12.068 1.00 0.00 H new ATOM 0 HG3 PRO A 470 -7.664 -5.824 11.663 1.00 0.00 H new ATOM 0 HD2 PRO A 470 -6.944 -4.029 9.746 1.00 0.00 H new ATOM 0 HD3 PRO A 470 -8.116 -5.291 9.424 1.00 0.00 H new ATOM 360 N PHE A 471 -10.632 -1.444 12.439 1.00 0.00 N ATOM 361 CA PHE A 471 -10.545 -0.195 13.187 1.00 0.00 C ATOM 362 C PHE A 471 -9.369 -0.225 14.159 1.00 0.00 C ATOM 363 O PHE A 471 -8.748 0.803 14.428 1.00 0.00 O ATOM 364 CB PHE A 471 -11.847 0.058 13.951 1.00 0.00 C ATOM 365 CG PHE A 471 -11.685 0.989 15.118 1.00 0.00 C ATOM 366 CD1 PHE A 471 -11.585 2.357 14.922 1.00 0.00 C ATOM 367 CD2 PHE A 471 -11.633 0.496 16.412 1.00 0.00 C ATOM 368 CE1 PHE A 471 -11.435 3.215 15.995 1.00 0.00 C ATOM 369 CE2 PHE A 471 -11.484 1.350 17.489 1.00 0.00 C ATOM 370 CZ PHE A 471 -11.386 2.711 17.280 1.00 0.00 C ATOM 0 H PHE A 471 -11.574 -1.828 12.368 1.00 0.00 H new ATOM 0 HA PHE A 471 -10.386 0.616 12.476 1.00 0.00 H new ATOM 0 HB2 PHE A 471 -12.587 0.472 13.266 1.00 0.00 H new ATOM 0 HB3 PHE A 471 -12.241 -0.894 14.308 1.00 0.00 H new ATOM 0 HD1 PHE A 471 -11.625 2.757 13.920 1.00 0.00 H new ATOM 0 HD2 PHE A 471 -11.710 -0.568 16.581 1.00 0.00 H new ATOM 0 HE1 PHE A 471 -11.356 4.279 15.829 1.00 0.00 H new ATOM 0 HE2 PHE A 471 -11.444 0.953 18.493 1.00 0.00 H new ATOM 0 HZ PHE A 471 -11.271 3.380 18.120 1.00 0.00 H new ATOM 380 N GLN A 472 -9.072 -1.410 14.683 1.00 0.00 N ATOM 381 CA GLN A 472 -7.972 -1.573 15.626 1.00 0.00 C ATOM 382 C GLN A 472 -6.636 -1.247 14.966 1.00 0.00 C ATOM 383 O GLN A 472 -5.789 -0.576 15.556 1.00 0.00 O ATOM 384 CB GLN A 472 -7.949 -3.002 16.172 1.00 0.00 C ATOM 385 CG GLN A 472 -8.955 -3.244 17.285 1.00 0.00 C ATOM 386 CD GLN A 472 -8.415 -2.869 18.652 1.00 0.00 C ATOM 387 OE1 GLN A 472 -7.395 -2.188 18.763 1.00 0.00 O ATOM 388 NE2 GLN A 472 -9.098 -3.313 19.700 1.00 0.00 N ATOM 0 H GLN A 472 -9.577 -2.270 14.471 1.00 0.00 H new ATOM 0 HA GLN A 472 -8.128 -0.878 16.451 1.00 0.00 H new ATOM 0 HB2 GLN A 472 -8.148 -3.697 15.356 1.00 0.00 H new ATOM 0 HB3 GLN A 472 -6.949 -3.224 16.543 1.00 0.00 H new ATOM 0 HG2 GLN A 472 -9.858 -2.668 17.085 1.00 0.00 H new ATOM 0 HG3 GLN A 472 -9.242 -4.296 17.288 1.00 0.00 H new ATOM 0 HE21 GLN A 472 -9.938 -3.874 19.561 1.00 0.00 H new ATOM 0 HE22 GLN A 472 -8.783 -3.093 20.645 1.00 0.00 H new ATOM 397 N ALA A 473 -6.454 -1.726 13.740 1.00 0.00 N ATOM 398 CA ALA A 473 -5.222 -1.483 13.000 1.00 0.00 C ATOM 399 C ALA A 473 -4.944 0.010 12.871 1.00 0.00 C ATOM 400 O ALA A 473 -5.820 0.783 12.485 1.00 0.00 O ATOM 401 CB ALA A 473 -5.298 -2.129 11.624 1.00 0.00 C ATOM 0 H ALA A 473 -7.144 -2.285 13.238 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.399 -1.932 13.556 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -4.372 -1.940 11.082 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -5.441 -3.204 11.734 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.136 -1.706 11.069 1.00 0.00 H new ATOM 407 N ASN A 474 -3.720 0.410 13.197 1.00 0.00 N ATOM 408 CA ASN A 474 -3.327 1.812 13.119 1.00 0.00 C ATOM 409 C ASN A 474 -2.029 1.971 12.332 1.00 0.00 C ATOM 410 O ASN A 474 -1.366 0.987 12.006 1.00 0.00 O ATOM 411 CB ASN A 474 -3.159 2.395 14.524 1.00 0.00 C ATOM 412 CG ASN A 474 -3.072 3.909 14.514 1.00 0.00 C ATOM 413 OD1 ASN A 474 -4.083 4.600 14.381 1.00 0.00 O ATOM 414 ND2 ASN A 474 -1.860 4.433 14.656 1.00 0.00 N ATOM 0 H ASN A 474 -2.982 -0.217 13.518 1.00 0.00 H new ATOM 0 HA ASN A 474 -4.115 2.356 12.599 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -3.999 2.086 15.146 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -2.258 1.985 14.979 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -1.739 5.446 14.658 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -1.050 3.823 14.763 1.00 0.00 H new ATOM 421 N GLN A 475 -1.674 3.216 12.031 1.00 0.00 N ATOM 422 CA GLN A 475 -0.456 3.503 11.283 1.00 0.00 C ATOM 423 C GLN A 475 0.686 2.600 11.736 1.00 0.00 C ATOM 424 O GLN A 475 1.339 1.951 10.918 1.00 0.00 O ATOM 425 CB GLN A 475 -0.061 4.970 11.454 1.00 0.00 C ATOM 426 CG GLN A 475 -1.009 5.940 10.766 1.00 0.00 C ATOM 427 CD GLN A 475 -1.094 7.276 11.477 1.00 0.00 C ATOM 428 OE1 GLN A 475 -0.074 7.893 11.789 1.00 0.00 O ATOM 429 NE2 GLN A 475 -2.314 7.732 11.738 1.00 0.00 N ATOM 0 H GLN A 475 -2.212 4.042 12.294 1.00 0.00 H new ATOM 0 HA GLN A 475 -0.653 3.308 10.229 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -0.022 5.206 12.518 1.00 0.00 H new ATOM 0 HB3 GLN A 475 0.944 5.115 11.059 1.00 0.00 H new ATOM 0 HG2 GLN A 475 -0.678 6.099 9.740 1.00 0.00 H new ATOM 0 HG3 GLN A 475 -2.003 5.496 10.715 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -3.132 7.188 11.462 1.00 0.00 H new ATOM 0 HE22 GLN A 475 -2.433 8.626 12.215 1.00 0.00 H new ATOM 438 N ARG A 476 0.923 2.564 13.043 1.00 0.00 N ATOM 439 CA ARG A 476 1.988 1.742 13.604 1.00 0.00 C ATOM 440 C ARG A 476 1.874 0.299 13.119 1.00 0.00 C ATOM 441 O ARG A 476 2.701 -0.169 12.338 1.00 0.00 O ATOM 442 CB ARG A 476 1.941 1.782 15.133 1.00 0.00 C ATOM 443 CG ARG A 476 3.303 1.619 15.788 1.00 0.00 C ATOM 444 CD ARG A 476 3.182 1.490 17.299 1.00 0.00 C ATOM 445 NE ARG A 476 4.480 1.289 17.936 1.00 0.00 N ATOM 446 CZ ARG A 476 4.630 1.013 19.227 1.00 0.00 C ATOM 447 NH1 ARG A 476 3.568 0.907 20.013 1.00 0.00 N ATOM 448 NH2 ARG A 476 5.845 0.843 19.734 1.00 0.00 N ATOM 0 H ARG A 476 0.392 3.095 13.733 1.00 0.00 H new ATOM 0 HA ARG A 476 2.942 2.147 13.266 1.00 0.00 H new ATOM 0 HB2 ARG A 476 1.506 2.730 15.450 1.00 0.00 H new ATOM 0 HB3 ARG A 476 1.279 0.992 15.489 1.00 0.00 H new ATOM 0 HG2 ARG A 476 3.799 0.736 15.385 1.00 0.00 H new ATOM 0 HG3 ARG A 476 3.930 2.476 15.544 1.00 0.00 H new ATOM 0 HD2 ARG A 476 2.715 2.388 17.703 1.00 0.00 H new ATOM 0 HD3 ARG A 476 2.526 0.653 17.540 1.00 0.00 H new ATOM 0 HE ARG A 476 5.317 1.365 17.359 1.00 0.00 H new ATOM 0 HH11 ARG A 476 2.633 1.037 19.627 1.00 0.00 H new ATOM 0 HH12 ARG A 476 3.686 0.695 21.004 1.00 0.00 H new ATOM 0 HH21 ARG A 476 6.665 0.924 19.132 1.00 0.00 H new ATOM 0 HH22 ARG A 476 5.959 0.631 20.725 1.00 0.00 H new ATOM 462 N GLU A 477 0.845 -0.398 13.590 1.00 0.00 N ATOM 463 CA GLU A 477 0.625 -1.788 13.205 1.00 0.00 C ATOM 464 C GLU A 477 1.046 -2.024 11.757 1.00 0.00 C ATOM 465 O GLU A 477 1.823 -2.934 11.467 1.00 0.00 O ATOM 466 CB GLU A 477 -0.847 -2.163 13.387 1.00 0.00 C ATOM 467 CG GLU A 477 -1.168 -2.717 14.765 1.00 0.00 C ATOM 468 CD GLU A 477 -0.656 -1.830 15.884 1.00 0.00 C ATOM 469 OE1 GLU A 477 -1.282 -0.780 16.142 1.00 0.00 O ATOM 470 OE2 GLU A 477 0.370 -2.184 16.501 1.00 0.00 O ATOM 0 H GLU A 477 0.151 -0.024 14.238 1.00 0.00 H new ATOM 0 HA GLU A 477 1.236 -2.419 13.851 1.00 0.00 H new ATOM 0 HB2 GLU A 477 -1.463 -1.282 13.206 1.00 0.00 H new ATOM 0 HB3 GLU A 477 -1.121 -2.903 12.635 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -2.247 -2.833 14.863 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -0.730 -3.710 14.864 1.00 0.00 H new ATOM 477 N ILE A 478 0.527 -1.199 10.854 1.00 0.00 N ATOM 478 CA ILE A 478 0.850 -1.318 9.437 1.00 0.00 C ATOM 479 C ILE A 478 2.340 -1.109 9.193 1.00 0.00 C ATOM 480 O ILE A 478 2.990 -1.916 8.529 1.00 0.00 O ATOM 481 CB ILE A 478 0.055 -0.305 8.592 1.00 0.00 C ATOM 482 CG1 ILE A 478 -1.448 -0.509 8.792 1.00 0.00 C ATOM 483 CG2 ILE A 478 0.422 -0.439 7.122 1.00 0.00 C ATOM 484 CD1 ILE A 478 -1.962 -1.812 8.222 1.00 0.00 C ATOM 0 H ILE A 478 -0.118 -0.442 11.078 1.00 0.00 H new ATOM 0 HA ILE A 478 0.574 -2.328 9.134 1.00 0.00 H new ATOM 0 HB ILE A 478 0.313 0.702 8.921 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -1.672 -0.475 9.858 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -1.984 0.318 8.327 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -0.148 0.283 6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 478 1.488 -0.249 6.994 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.189 -1.447 6.779 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -3.035 -1.889 8.400 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -1.769 -1.841 7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.453 -2.646 8.705 1.00 0.00 H new ATOM 496 N ARG A 479 2.876 -0.021 9.736 1.00 0.00 N ATOM 497 CA ARG A 479 4.290 0.295 9.578 1.00 0.00 C ATOM 498 C ARG A 479 5.157 -0.924 9.883 1.00 0.00 C ATOM 499 O ARG A 479 5.937 -1.367 9.041 1.00 0.00 O ATOM 500 CB ARG A 479 4.682 1.455 10.496 1.00 0.00 C ATOM 501 CG ARG A 479 5.896 2.231 10.013 1.00 0.00 C ATOM 502 CD ARG A 479 6.092 3.511 10.811 1.00 0.00 C ATOM 503 NE ARG A 479 7.387 4.131 10.540 1.00 0.00 N ATOM 504 CZ ARG A 479 7.875 5.148 11.242 1.00 0.00 C ATOM 505 NH1 ARG A 479 7.182 5.655 12.251 1.00 0.00 N ATOM 506 NH2 ARG A 479 9.061 5.658 10.934 1.00 0.00 N ATOM 0 H ARG A 479 2.352 0.657 10.290 1.00 0.00 H new ATOM 0 HA ARG A 479 4.457 0.589 8.542 1.00 0.00 H new ATOM 0 HB2 ARG A 479 3.837 2.138 10.585 1.00 0.00 H new ATOM 0 HB3 ARG A 479 4.884 1.065 11.494 1.00 0.00 H new ATOM 0 HG2 ARG A 479 6.786 1.607 10.099 1.00 0.00 H new ATOM 0 HG3 ARG A 479 5.778 2.474 8.957 1.00 0.00 H new ATOM 0 HD2 ARG A 479 5.295 4.215 10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 479 6.011 3.291 11.875 1.00 0.00 H new ATOM 0 HE ARG A 479 7.946 3.763 9.770 1.00 0.00 H new ATOM 0 HH11 ARG A 479 6.271 5.265 12.491 1.00 0.00 H new ATOM 0 HH12 ARG A 479 7.560 6.436 12.788 1.00 0.00 H new ATOM 0 HH21 ARG A 479 9.598 5.269 10.159 1.00 0.00 H new ATOM 0 HH22 ARG A 479 9.436 6.439 11.473 1.00 0.00 H new ATOM 520 N GLU A 480 5.013 -1.459 11.091 1.00 0.00 N ATOM 521 CA GLU A 480 5.784 -2.625 11.506 1.00 0.00 C ATOM 522 C GLU A 480 5.421 -3.845 10.664 1.00 0.00 C ATOM 523 O GLU A 480 6.283 -4.654 10.319 1.00 0.00 O ATOM 524 CB GLU A 480 5.541 -2.924 12.987 1.00 0.00 C ATOM 525 CG GLU A 480 6.072 -1.848 13.920 1.00 0.00 C ATOM 526 CD GLU A 480 5.662 -2.073 15.362 1.00 0.00 C ATOM 527 OE1 GLU A 480 5.832 -3.206 15.859 1.00 0.00 O ATOM 528 OE2 GLU A 480 5.171 -1.114 15.995 1.00 0.00 O ATOM 0 H GLU A 480 4.370 -1.104 11.799 1.00 0.00 H new ATOM 0 HA GLU A 480 6.840 -2.402 11.356 1.00 0.00 H new ATOM 0 HB2 GLU A 480 4.470 -3.042 13.154 1.00 0.00 H new ATOM 0 HB3 GLU A 480 6.010 -3.875 13.239 1.00 0.00 H new ATOM 0 HG2 GLU A 480 7.160 -1.821 13.855 1.00 0.00 H new ATOM 0 HG3 GLU A 480 5.709 -0.875 13.590 1.00 0.00 H new ATOM 535 N LEU A 481 4.140 -3.970 10.336 1.00 0.00 N ATOM 536 CA LEU A 481 3.661 -5.091 9.534 1.00 0.00 C ATOM 537 C LEU A 481 4.537 -5.292 8.302 1.00 0.00 C ATOM 538 O LEU A 481 5.048 -6.386 8.061 1.00 0.00 O ATOM 539 CB LEU A 481 2.210 -4.857 9.110 1.00 0.00 C ATOM 540 CG LEU A 481 1.530 -6.015 8.378 1.00 0.00 C ATOM 541 CD1 LEU A 481 1.125 -7.103 9.359 1.00 0.00 C ATOM 542 CD2 LEU A 481 0.321 -5.517 7.601 1.00 0.00 C ATOM 0 H LEU A 481 3.414 -3.309 10.613 1.00 0.00 H new ATOM 0 HA LEU A 481 3.713 -5.992 10.145 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.626 -4.623 10.000 1.00 0.00 H new ATOM 0 HB3 LEU A 481 2.178 -3.978 8.467 1.00 0.00 H new ATOM 0 HG LEU A 481 2.242 -6.440 7.670 1.00 0.00 H new ATOM 0 HD11 LEU A 481 0.643 -7.918 8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 481 2.011 -7.480 9.870 1.00 0.00 H new ATOM 0 HD13 LEU A 481 0.430 -6.692 10.092 1.00 0.00 H new ATOM 0 HD21 LEU A 481 -0.151 -6.354 7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 481 -0.393 -5.065 8.290 1.00 0.00 H new ATOM 0 HD23 LEU A 481 0.639 -4.774 6.870 1.00 0.00 H new ATOM 554 N PHE A 482 4.709 -4.228 7.524 1.00 0.00 N ATOM 555 CA PHE A 482 5.524 -4.287 6.316 1.00 0.00 C ATOM 556 C PHE A 482 6.993 -4.028 6.639 1.00 0.00 C ATOM 557 O PHE A 482 7.872 -4.786 6.229 1.00 0.00 O ATOM 558 CB PHE A 482 5.028 -3.266 5.290 1.00 0.00 C ATOM 559 CG PHE A 482 3.715 -3.636 4.663 1.00 0.00 C ATOM 560 CD1 PHE A 482 2.519 -3.244 5.244 1.00 0.00 C ATOM 561 CD2 PHE A 482 3.676 -4.375 3.492 1.00 0.00 C ATOM 562 CE1 PHE A 482 1.309 -3.583 4.669 1.00 0.00 C ATOM 563 CE2 PHE A 482 2.468 -4.717 2.912 1.00 0.00 C ATOM 564 CZ PHE A 482 1.284 -4.321 3.502 1.00 0.00 C ATOM 0 H PHE A 482 4.295 -3.314 7.709 1.00 0.00 H new ATOM 0 HA PHE A 482 5.433 -5.288 5.895 1.00 0.00 H new ATOM 0 HB2 PHE A 482 4.929 -2.295 5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 482 5.778 -3.157 4.506 1.00 0.00 H new ATOM 0 HD1 PHE A 482 2.533 -2.667 6.157 1.00 0.00 H new ATOM 0 HD2 PHE A 482 4.599 -4.688 3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 482 0.384 -3.271 5.132 1.00 0.00 H new ATOM 0 HE2 PHE A 482 2.451 -5.293 1.999 1.00 0.00 H new ATOM 0 HZ PHE A 482 0.340 -4.588 3.051 1.00 0.00 H new ATOM 574 N SER A 483 7.250 -2.952 7.376 1.00 0.00 N ATOM 575 CA SER A 483 8.613 -2.590 7.750 1.00 0.00 C ATOM 576 C SER A 483 9.435 -3.833 8.077 1.00 0.00 C ATOM 577 O SER A 483 10.637 -3.885 7.815 1.00 0.00 O ATOM 578 CB SER A 483 8.599 -1.643 8.951 1.00 0.00 C ATOM 579 OG SER A 483 9.917 -1.302 9.346 1.00 0.00 O ATOM 0 H SER A 483 6.533 -2.316 7.726 1.00 0.00 H new ATOM 0 HA SER A 483 9.075 -2.084 6.902 1.00 0.00 H new ATOM 0 HB2 SER A 483 8.046 -0.738 8.699 1.00 0.00 H new ATOM 0 HB3 SER A 483 8.077 -2.114 9.784 1.00 0.00 H new ATOM 0 HG SER A 483 9.881 -0.695 10.114 1.00 0.00 H new ATOM 585 N THR A 484 8.777 -4.835 8.653 1.00 0.00 N ATOM 586 CA THR A 484 9.445 -6.078 9.018 1.00 0.00 C ATOM 587 C THR A 484 10.195 -6.669 7.829 1.00 0.00 C ATOM 588 O THR A 484 11.353 -7.068 7.950 1.00 0.00 O ATOM 589 CB THR A 484 8.442 -7.121 9.547 1.00 0.00 C ATOM 590 OG1 THR A 484 7.845 -6.654 10.762 1.00 0.00 O ATOM 591 CG2 THR A 484 9.129 -8.456 9.794 1.00 0.00 C ATOM 0 H THR A 484 7.782 -4.809 8.877 1.00 0.00 H new ATOM 0 HA THR A 484 10.155 -5.834 9.808 1.00 0.00 H new ATOM 0 HB THR A 484 7.668 -7.263 8.793 1.00 0.00 H new ATOM 0 HG1 THR A 484 7.571 -5.719 10.654 1.00 0.00 H new ATOM 0 HG21 THR A 484 8.401 -9.176 10.167 1.00 0.00 H new ATOM 0 HG22 THR A 484 9.557 -8.823 8.861 1.00 0.00 H new ATOM 0 HG23 THR A 484 9.922 -8.326 10.531 1.00 0.00 H new ATOM 599 N PHE A 485 9.528 -6.721 6.681 1.00 0.00 N ATOM 600 CA PHE A 485 10.132 -7.263 5.470 1.00 0.00 C ATOM 601 C PHE A 485 11.313 -6.408 5.021 1.00 0.00 C ATOM 602 O PHE A 485 12.345 -6.928 4.599 1.00 0.00 O ATOM 603 CB PHE A 485 9.093 -7.346 4.349 1.00 0.00 C ATOM 604 CG PHE A 485 8.091 -8.448 4.541 1.00 0.00 C ATOM 605 CD1 PHE A 485 6.961 -8.248 5.317 1.00 0.00 C ATOM 606 CD2 PHE A 485 8.279 -9.685 3.944 1.00 0.00 C ATOM 607 CE1 PHE A 485 6.038 -9.261 5.495 1.00 0.00 C ATOM 608 CE2 PHE A 485 7.359 -10.701 4.119 1.00 0.00 C ATOM 609 CZ PHE A 485 6.236 -10.489 4.894 1.00 0.00 C ATOM 0 H PHE A 485 8.569 -6.394 6.564 1.00 0.00 H new ATOM 0 HA PHE A 485 10.496 -8.266 5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.566 -6.394 4.282 1.00 0.00 H new ATOM 0 HB3 PHE A 485 9.606 -7.494 3.399 1.00 0.00 H new ATOM 0 HD1 PHE A 485 6.800 -7.290 5.788 1.00 0.00 H new ATOM 0 HD2 PHE A 485 9.154 -9.856 3.335 1.00 0.00 H new ATOM 0 HE1 PHE A 485 5.162 -9.093 6.104 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.518 -11.661 3.650 1.00 0.00 H new ATOM 0 HZ PHE A 485 5.514 -11.281 5.030 1.00 0.00 H new ATOM 619 N GLY A 486 11.154 -5.092 5.116 1.00 0.00 N ATOM 620 CA GLY A 486 12.214 -4.185 4.716 1.00 0.00 C ATOM 621 C GLY A 486 11.898 -2.741 5.052 1.00 0.00 C ATOM 622 O GLY A 486 10.820 -2.437 5.561 1.00 0.00 O ATOM 0 H GLY A 486 10.310 -4.637 5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 486 13.142 -4.475 5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 486 12.381 -4.277 3.643 1.00 0.00 H new ATOM 626 N GLU A 487 12.842 -1.849 4.767 1.00 0.00 N ATOM 627 CA GLU A 487 12.660 -0.429 5.044 1.00 0.00 C ATOM 628 C GLU A 487 11.483 0.133 4.252 1.00 0.00 C ATOM 629 O GLU A 487 11.264 -0.236 3.098 1.00 0.00 O ATOM 630 CB GLU A 487 13.934 0.347 4.706 1.00 0.00 C ATOM 631 CG GLU A 487 14.035 1.688 5.413 1.00 0.00 C ATOM 632 CD GLU A 487 14.616 1.569 6.809 1.00 0.00 C ATOM 633 OE1 GLU A 487 15.815 1.240 6.926 1.00 0.00 O ATOM 634 OE2 GLU A 487 13.872 1.804 7.784 1.00 0.00 O ATOM 0 H GLU A 487 13.740 -2.085 4.345 1.00 0.00 H new ATOM 0 HA GLU A 487 12.447 -0.317 6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 487 14.800 -0.260 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 487 13.976 0.509 3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 487 14.656 2.361 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 487 13.044 2.139 5.473 1.00 0.00 H new ATOM 641 N LEU A 488 10.728 1.027 4.881 1.00 0.00 N ATOM 642 CA LEU A 488 9.572 1.641 4.236 1.00 0.00 C ATOM 643 C LEU A 488 9.863 3.091 3.863 1.00 0.00 C ATOM 644 O LEU A 488 10.764 3.718 4.420 1.00 0.00 O ATOM 645 CB LEU A 488 8.353 1.574 5.159 1.00 0.00 C ATOM 646 CG LEU A 488 7.779 0.179 5.412 1.00 0.00 C ATOM 647 CD1 LEU A 488 6.542 0.264 6.293 1.00 0.00 C ATOM 648 CD2 LEU A 488 7.453 -0.510 4.095 1.00 0.00 C ATOM 0 H LEU A 488 10.895 1.343 5.836 1.00 0.00 H new ATOM 0 HA LEU A 488 9.359 1.086 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 488 8.625 2.013 6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 488 7.566 2.197 4.735 1.00 0.00 H new ATOM 0 HG LEU A 488 8.531 -0.415 5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 488 6.147 -0.738 6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 488 6.806 0.717 7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 488 5.785 0.874 5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 488 7.046 -1.501 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 488 6.719 0.081 3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 488 8.361 -0.604 3.499 1.00 0.00 H new ATOM 660 N LYS A 489 9.091 3.620 2.919 1.00 0.00 N ATOM 661 CA LYS A 489 9.263 4.997 2.473 1.00 0.00 C ATOM 662 C LYS A 489 8.337 5.936 3.240 1.00 0.00 C ATOM 663 O LYS A 489 8.752 7.004 3.691 1.00 0.00 O ATOM 664 CB LYS A 489 8.988 5.107 0.972 1.00 0.00 C ATOM 665 CG LYS A 489 10.216 4.868 0.110 1.00 0.00 C ATOM 666 CD LYS A 489 11.081 6.114 0.014 1.00 0.00 C ATOM 667 CE LYS A 489 11.990 6.068 -1.205 1.00 0.00 C ATOM 668 NZ LYS A 489 13.017 7.146 -1.171 1.00 0.00 N ATOM 0 H LYS A 489 8.340 3.115 2.448 1.00 0.00 H new ATOM 0 HA LYS A 489 10.294 5.290 2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 489 8.217 4.387 0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 489 8.590 6.098 0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 489 10.801 4.049 0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 489 9.906 4.561 -0.889 1.00 0.00 H new ATOM 0 HD2 LYS A 489 10.444 6.997 -0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 489 11.685 6.210 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 489 12.484 5.097 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 489 11.390 6.166 -2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 489 13.617 7.081 -2.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 489 12.546 8.073 -1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 489 13.606 7.038 -0.321 1.00 0.00 H new ATOM 682 N THR A 490 7.079 5.531 3.386 1.00 0.00 N ATOM 683 CA THR A 490 6.094 6.336 4.098 1.00 0.00 C ATOM 684 C THR A 490 4.813 5.547 4.343 1.00 0.00 C ATOM 685 O THR A 490 4.353 4.805 3.475 1.00 0.00 O ATOM 686 CB THR A 490 5.752 7.621 3.322 1.00 0.00 C ATOM 687 OG1 THR A 490 4.801 8.399 4.057 1.00 0.00 O ATOM 688 CG2 THR A 490 5.190 7.290 1.948 1.00 0.00 C ATOM 0 H THR A 490 6.718 4.650 3.020 1.00 0.00 H new ATOM 0 HA THR A 490 6.539 6.607 5.055 1.00 0.00 H new ATOM 0 HB THR A 490 6.669 8.196 3.193 1.00 0.00 H new ATOM 0 HG1 THR A 490 4.590 9.215 3.557 1.00 0.00 H new ATOM 0 HG21 THR A 490 4.956 8.214 1.419 1.00 0.00 H new ATOM 0 HG22 THR A 490 5.928 6.723 1.380 1.00 0.00 H new ATOM 0 HG23 THR A 490 4.283 6.696 2.059 1.00 0.00 H new ATOM 696 N VAL A 491 4.240 5.712 5.531 1.00 0.00 N ATOM 697 CA VAL A 491 3.010 5.017 5.890 1.00 0.00 C ATOM 698 C VAL A 491 1.827 5.978 5.934 1.00 0.00 C ATOM 699 O VAL A 491 1.712 6.794 6.849 1.00 0.00 O ATOM 700 CB VAL A 491 3.139 4.316 7.255 1.00 0.00 C ATOM 701 CG1 VAL A 491 1.767 3.938 7.794 1.00 0.00 C ATOM 702 CG2 VAL A 491 4.032 3.090 7.142 1.00 0.00 C ATOM 0 H VAL A 491 4.608 6.321 6.261 1.00 0.00 H new ATOM 0 HA VAL A 491 2.835 4.266 5.119 1.00 0.00 H new ATOM 0 HB VAL A 491 3.600 5.010 7.958 1.00 0.00 H new ATOM 0 HG11 VAL A 491 1.879 3.444 8.759 1.00 0.00 H new ATOM 0 HG12 VAL A 491 1.163 4.837 7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 491 1.275 3.262 7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 491 4.112 2.607 8.116 1.00 0.00 H new ATOM 0 HG22 VAL A 491 3.602 2.391 6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 491 5.023 3.392 6.804 1.00 0.00 H new ATOM 712 N ARG A 492 0.951 5.876 4.940 1.00 0.00 N ATOM 713 CA ARG A 492 -0.223 6.738 4.865 1.00 0.00 C ATOM 714 C ARG A 492 -1.473 5.995 5.329 1.00 0.00 C ATOM 715 O ARG A 492 -1.798 4.924 4.815 1.00 0.00 O ATOM 716 CB ARG A 492 -0.419 7.245 3.436 1.00 0.00 C ATOM 717 CG ARG A 492 0.452 8.441 3.089 1.00 0.00 C ATOM 718 CD ARG A 492 0.240 8.887 1.651 1.00 0.00 C ATOM 719 NE ARG A 492 -0.909 9.780 1.518 1.00 0.00 N ATOM 720 CZ ARG A 492 -0.884 11.064 1.855 1.00 0.00 C ATOM 721 NH1 ARG A 492 0.225 11.604 2.341 1.00 0.00 N ATOM 722 NH2 ARG A 492 -1.970 11.812 1.705 1.00 0.00 N ATOM 0 H ARG A 492 1.032 5.205 4.176 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.061 7.589 5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -0.203 6.435 2.739 1.00 0.00 H new ATOM 0 HB3 ARG A 492 -1.466 7.516 3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 492 0.225 9.266 3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 492 1.501 8.185 3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 492 1.136 9.394 1.293 1.00 0.00 H new ATOM 0 HD3 ARG A 492 0.094 8.012 1.018 1.00 0.00 H new ATOM 0 HE ARG A 492 -1.778 9.396 1.146 1.00 0.00 H new ATOM 0 HH11 ARG A 492 1.062 11.033 2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 492 0.241 12.591 2.599 1.00 0.00 H new ATOM 0 HH21 ARG A 492 -2.825 11.401 1.331 1.00 0.00 H new ATOM 0 HH22 ARG A 492 -1.950 12.798 1.964 1.00 0.00 H new ATOM 736 N LEU A 493 -2.169 6.570 6.303 1.00 0.00 N ATOM 737 CA LEU A 493 -3.383 5.963 6.837 1.00 0.00 C ATOM 738 C LEU A 493 -4.488 7.003 6.995 1.00 0.00 C ATOM 739 O LEU A 493 -4.243 8.155 7.353 1.00 0.00 O ATOM 740 CB LEU A 493 -3.095 5.300 8.185 1.00 0.00 C ATOM 741 CG LEU A 493 -2.629 3.844 8.131 1.00 0.00 C ATOM 742 CD1 LEU A 493 -1.123 3.773 7.932 1.00 0.00 C ATOM 743 CD2 LEU A 493 -3.037 3.106 9.398 1.00 0.00 C ATOM 0 H LEU A 493 -1.914 7.456 6.739 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.721 5.205 6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.333 5.885 8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -3.999 5.349 8.792 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.110 3.360 7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -0.810 2.730 7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -0.856 4.265 6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -0.622 4.274 8.761 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -2.697 2.072 9.342 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.584 3.590 10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.122 3.126 9.498 1.00 0.00 H new ATOM 899 N ARG A 504 -11.402 4.880 7.231 1.00 0.00 N ATOM 900 CA ARG A 504 -11.683 4.027 6.083 1.00 0.00 C ATOM 901 C ARG A 504 -10.865 2.740 6.148 1.00 0.00 C ATOM 902 O ARG A 504 -9.718 2.744 6.591 1.00 0.00 O ATOM 903 CB ARG A 504 -11.379 4.771 4.781 1.00 0.00 C ATOM 904 CG ARG A 504 -12.117 6.093 4.649 1.00 0.00 C ATOM 905 CD ARG A 504 -13.517 5.897 4.088 1.00 0.00 C ATOM 906 NE ARG A 504 -14.398 7.015 4.412 1.00 0.00 N ATOM 907 CZ ARG A 504 -15.593 7.193 3.860 1.00 0.00 C ATOM 908 NH1 ARG A 504 -16.047 6.330 2.961 1.00 0.00 N ATOM 909 NH2 ARG A 504 -16.337 8.235 4.206 1.00 0.00 N ATOM 0 HA ARG A 504 -12.741 3.767 6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -10.306 4.956 4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -11.641 4.132 3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -12.179 6.575 5.625 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -11.554 6.762 3.998 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -13.461 5.782 3.006 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -13.941 4.975 4.485 1.00 0.00 H new ATOM 0 HE ARG A 504 -14.078 7.697 5.100 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -15.478 5.527 2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -16.965 6.469 2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -15.992 8.901 4.897 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -17.254 8.370 3.781 1.00 0.00 H new ATOM 923 N GLY A 505 -11.465 1.640 5.704 1.00 0.00 N ATOM 924 CA GLY A 505 -10.779 0.362 5.722 1.00 0.00 C ATOM 925 C GLY A 505 -9.772 0.229 4.597 1.00 0.00 C ATOM 926 O GLY A 505 -9.913 -0.631 3.726 1.00 0.00 O ATOM 0 H GLY A 505 -12.414 1.611 5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 505 -10.270 0.240 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 505 -11.512 -0.441 5.647 1.00 0.00 H new ATOM 930 N PHE A 506 -8.754 1.083 4.612 1.00 0.00 N ATOM 931 CA PHE A 506 -7.720 1.059 3.583 1.00 0.00 C ATOM 932 C PHE A 506 -6.450 1.749 4.071 1.00 0.00 C ATOM 933 O PHE A 506 -6.504 2.656 4.902 1.00 0.00 O ATOM 934 CB PHE A 506 -8.225 1.737 2.308 1.00 0.00 C ATOM 935 CG PHE A 506 -8.076 3.231 2.324 1.00 0.00 C ATOM 936 CD1 PHE A 506 -6.822 3.816 2.246 1.00 0.00 C ATOM 937 CD2 PHE A 506 -9.189 4.051 2.416 1.00 0.00 C ATOM 938 CE1 PHE A 506 -6.682 5.191 2.262 1.00 0.00 C ATOM 939 CE2 PHE A 506 -9.055 5.427 2.432 1.00 0.00 C ATOM 940 CZ PHE A 506 -7.800 5.997 2.354 1.00 0.00 C ATOM 0 H PHE A 506 -8.623 1.800 5.325 1.00 0.00 H new ATOM 0 HA PHE A 506 -7.484 0.018 3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 506 -7.682 1.335 1.453 1.00 0.00 H new ATOM 0 HB3 PHE A 506 -9.276 1.486 2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 506 -5.945 3.191 2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 506 -10.173 3.610 2.476 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -5.699 5.635 2.203 1.00 0.00 H new ATOM 0 HE2 PHE A 506 -9.931 6.055 2.505 1.00 0.00 H new ATOM 0 HZ PHE A 506 -7.693 7.072 2.365 1.00 0.00 H new ATOM 950 N GLY A 507 -5.308 1.313 3.549 1.00 0.00 N ATOM 951 CA GLY A 507 -4.040 1.899 3.944 1.00 0.00 C ATOM 952 C GLY A 507 -3.030 1.910 2.814 1.00 0.00 C ATOM 953 O GLY A 507 -3.028 1.019 1.965 1.00 0.00 O ATOM 0 H GLY A 507 -5.238 0.564 2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -4.206 2.920 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -3.632 1.341 4.787 1.00 0.00 H new ATOM 957 N PHE A 508 -2.170 2.923 2.801 1.00 0.00 N ATOM 958 CA PHE A 508 -1.152 3.049 1.765 1.00 0.00 C ATOM 959 C PHE A 508 0.245 2.872 2.351 1.00 0.00 C ATOM 960 O PHE A 508 0.641 3.590 3.269 1.00 0.00 O ATOM 961 CB PHE A 508 -1.260 4.412 1.077 1.00 0.00 C ATOM 962 CG PHE A 508 -2.292 4.453 -0.014 1.00 0.00 C ATOM 963 CD1 PHE A 508 -3.615 4.139 0.254 1.00 0.00 C ATOM 964 CD2 PHE A 508 -1.939 4.805 -1.306 1.00 0.00 C ATOM 965 CE1 PHE A 508 -4.566 4.176 -0.748 1.00 0.00 C ATOM 966 CE2 PHE A 508 -2.886 4.844 -2.312 1.00 0.00 C ATOM 967 CZ PHE A 508 -4.202 4.530 -2.032 1.00 0.00 C ATOM 0 H PHE A 508 -2.158 3.669 3.497 1.00 0.00 H new ATOM 0 HA PHE A 508 -1.320 2.263 1.028 1.00 0.00 H new ATOM 0 HB2 PHE A 508 -1.502 5.169 1.823 1.00 0.00 H new ATOM 0 HB3 PHE A 508 -0.289 4.676 0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 508 -3.906 3.862 1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 508 -0.912 5.052 -1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 508 -5.594 3.928 -0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 508 -2.598 5.120 -3.316 1.00 0.00 H new ATOM 0 HZ PHE A 508 -4.944 4.561 -2.816 1.00 0.00 H new ATOM 977 N VAL A 509 0.988 1.909 1.814 1.00 0.00 N ATOM 978 CA VAL A 509 2.342 1.636 2.283 1.00 0.00 C ATOM 979 C VAL A 509 3.347 1.727 1.140 1.00 0.00 C ATOM 980 O VAL A 509 3.269 0.973 0.170 1.00 0.00 O ATOM 981 CB VAL A 509 2.441 0.242 2.930 1.00 0.00 C ATOM 982 CG1 VAL A 509 3.862 -0.028 3.402 1.00 0.00 C ATOM 983 CG2 VAL A 509 1.456 0.119 4.083 1.00 0.00 C ATOM 0 H VAL A 509 0.675 1.305 1.054 1.00 0.00 H new ATOM 0 HA VAL A 509 2.577 2.393 3.031 1.00 0.00 H new ATOM 0 HB VAL A 509 2.184 -0.506 2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 509 3.913 -1.017 3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 509 4.542 0.016 2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 509 4.150 0.724 4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 509 1.539 -0.872 4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.680 0.875 4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 509 0.442 0.266 3.712 1.00 0.00 H new ATOM 993 N ASP A 510 4.291 2.653 1.263 1.00 0.00 N ATOM 994 CA ASP A 510 5.315 2.842 0.241 1.00 0.00 C ATOM 995 C ASP A 510 6.615 2.151 0.640 1.00 0.00 C ATOM 996 O ASP A 510 6.962 2.093 1.820 1.00 0.00 O ATOM 997 CB ASP A 510 5.565 4.332 0.008 1.00 0.00 C ATOM 998 CG ASP A 510 6.173 4.612 -1.352 1.00 0.00 C ATOM 999 OD1 ASP A 510 7.233 4.028 -1.659 1.00 0.00 O ATOM 1000 OD2 ASP A 510 5.589 5.415 -2.109 1.00 0.00 O ATOM 0 H ASP A 510 4.369 3.285 2.060 1.00 0.00 H new ATOM 0 HA ASP A 510 4.956 2.393 -0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 510 4.624 4.874 0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 510 6.229 4.712 0.785 1.00 0.00 H new ATOM 1005 N PHE A 511 7.330 1.628 -0.350 1.00 0.00 N ATOM 1006 CA PHE A 511 8.591 0.939 -0.102 1.00 0.00 C ATOM 1007 C PHE A 511 9.756 1.693 -0.736 1.00 0.00 C ATOM 1008 O PHE A 511 9.564 2.505 -1.642 1.00 0.00 O ATOM 1009 CB PHE A 511 8.533 -0.488 -0.651 1.00 0.00 C ATOM 1010 CG PHE A 511 7.992 -1.487 0.332 1.00 0.00 C ATOM 1011 CD1 PHE A 511 6.674 -1.419 0.754 1.00 0.00 C ATOM 1012 CD2 PHE A 511 8.801 -2.493 0.834 1.00 0.00 C ATOM 1013 CE1 PHE A 511 6.174 -2.336 1.659 1.00 0.00 C ATOM 1014 CE2 PHE A 511 8.306 -3.414 1.739 1.00 0.00 C ATOM 1015 CZ PHE A 511 6.990 -3.335 2.151 1.00 0.00 C ATOM 0 H PHE A 511 7.058 1.668 -1.332 1.00 0.00 H new ATOM 0 HA PHE A 511 8.750 0.900 0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 511 7.912 -0.499 -1.547 1.00 0.00 H new ATOM 0 HB3 PHE A 511 9.535 -0.793 -0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 511 6.030 -0.641 0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 511 9.831 -2.559 0.515 1.00 0.00 H new ATOM 0 HE1 PHE A 511 5.145 -2.271 1.981 1.00 0.00 H new ATOM 0 HE2 PHE A 511 8.947 -4.194 2.123 1.00 0.00 H new ATOM 0 HZ PHE A 511 6.600 -4.053 2.857 1.00 0.00 H new ATOM 1025 N ILE A 512 10.963 1.418 -0.254 1.00 0.00 N ATOM 1026 CA ILE A 512 12.159 2.070 -0.773 1.00 0.00 C ATOM 1027 C ILE A 512 12.476 1.592 -2.186 1.00 0.00 C ATOM 1028 O ILE A 512 12.907 2.372 -3.036 1.00 0.00 O ATOM 1029 CB ILE A 512 13.379 1.809 0.130 1.00 0.00 C ATOM 1030 CG1 ILE A 512 13.066 2.206 1.574 1.00 0.00 C ATOM 1031 CG2 ILE A 512 14.591 2.572 -0.384 1.00 0.00 C ATOM 1032 CD1 ILE A 512 12.838 3.690 1.757 1.00 0.00 C ATOM 0 H ILE A 512 11.139 0.748 0.495 1.00 0.00 H new ATOM 0 HA ILE A 512 11.952 3.140 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 512 13.608 0.744 0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 512 12.179 1.667 1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 512 13.889 1.891 2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 512 15.445 2.378 0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 512 14.823 2.246 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 512 14.374 3.640 -0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 512 12.621 3.898 2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 512 13.732 4.235 1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 512 11.996 4.007 1.142 1.00 0.00 H new ATOM 1044 N THR A 513 12.257 0.304 -2.433 1.00 0.00 N ATOM 1045 CA THR A 513 12.517 -0.278 -3.743 1.00 0.00 C ATOM 1046 C THR A 513 11.401 -1.232 -4.153 1.00 0.00 C ATOM 1047 O THR A 513 10.404 -1.378 -3.445 1.00 0.00 O ATOM 1048 CB THR A 513 13.858 -1.036 -3.764 1.00 0.00 C ATOM 1049 OG1 THR A 513 13.824 -2.119 -2.827 1.00 0.00 O ATOM 1050 CG2 THR A 513 15.012 -0.104 -3.427 1.00 0.00 C ATOM 0 H THR A 513 11.900 -0.356 -1.742 1.00 0.00 H new ATOM 0 HA THR A 513 12.563 0.548 -4.452 1.00 0.00 H new ATOM 0 HB THR A 513 14.011 -1.430 -4.769 1.00 0.00 H new ATOM 0 HG1 THR A 513 13.513 -1.790 -1.958 1.00 0.00 H new ATOM 0 HG21 THR A 513 15.948 -0.662 -3.448 1.00 0.00 H new ATOM 0 HG22 THR A 513 15.054 0.703 -4.159 1.00 0.00 H new ATOM 0 HG23 THR A 513 14.862 0.316 -2.432 1.00 0.00 H new ATOM 1058 N LYS A 514 11.575 -1.881 -5.299 1.00 0.00 N ATOM 1059 CA LYS A 514 10.583 -2.824 -5.803 1.00 0.00 C ATOM 1060 C LYS A 514 10.791 -4.208 -5.196 1.00 0.00 C ATOM 1061 O LYS A 514 9.828 -4.902 -4.869 1.00 0.00 O ATOM 1062 CB LYS A 514 10.659 -2.908 -7.329 1.00 0.00 C ATOM 1063 CG LYS A 514 10.291 -1.611 -8.029 1.00 0.00 C ATOM 1064 CD LYS A 514 10.451 -1.725 -9.536 1.00 0.00 C ATOM 1065 CE LYS A 514 9.885 -0.508 -10.250 1.00 0.00 C ATOM 1066 NZ LYS A 514 10.237 -0.500 -11.697 1.00 0.00 N ATOM 0 H LYS A 514 12.394 -1.771 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 514 9.596 -2.464 -5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 514 11.670 -3.193 -7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 514 9.993 -3.699 -7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 514 9.260 -1.348 -7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 514 10.921 -0.804 -7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 514 11.507 -1.835 -9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 514 9.945 -2.624 -9.890 1.00 0.00 H new ATOM 0 HE2 LYS A 514 8.801 -0.494 -10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 514 10.265 0.399 -9.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 514 9.833 0.345 -12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 514 11.272 -0.487 -11.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 514 9.853 -1.352 -12.152 1.00 0.00 H new ATOM 1080 N GLN A 515 12.051 -4.602 -5.048 1.00 0.00 N ATOM 1081 CA GLN A 515 12.383 -5.903 -4.480 1.00 0.00 C ATOM 1082 C GLN A 515 11.570 -6.168 -3.217 1.00 0.00 C ATOM 1083 O GLN A 515 10.746 -7.082 -3.178 1.00 0.00 O ATOM 1084 CB GLN A 515 13.878 -5.978 -4.164 1.00 0.00 C ATOM 1085 CG GLN A 515 14.765 -5.901 -5.396 1.00 0.00 C ATOM 1086 CD GLN A 515 16.226 -5.690 -5.051 1.00 0.00 C ATOM 1087 OE1 GLN A 515 16.698 -6.130 -4.002 1.00 0.00 O ATOM 1088 NE2 GLN A 515 16.952 -5.014 -5.934 1.00 0.00 N ATOM 0 H GLN A 515 12.859 -4.039 -5.313 1.00 0.00 H new ATOM 0 HA GLN A 515 12.136 -6.668 -5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 515 14.139 -5.164 -3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 515 14.083 -6.910 -3.637 1.00 0.00 H new ATOM 0 HG2 GLN A 515 14.661 -6.820 -5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 515 14.425 -5.085 -6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 515 16.520 -4.667 -6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 515 17.941 -4.842 -5.756 1.00 0.00 H new ATOM 1097 N ASP A 516 11.808 -5.365 -2.186 1.00 0.00 N ATOM 1098 CA ASP A 516 11.098 -5.512 -0.921 1.00 0.00 C ATOM 1099 C ASP A 516 9.590 -5.406 -1.130 1.00 0.00 C ATOM 1100 O ASP A 516 8.822 -6.198 -0.585 1.00 0.00 O ATOM 1101 CB ASP A 516 11.563 -4.451 0.077 1.00 0.00 C ATOM 1102 CG ASP A 516 11.834 -3.114 -0.584 1.00 0.00 C ATOM 1103 OD1 ASP A 516 11.032 -2.708 -1.451 1.00 0.00 O ATOM 1104 OD2 ASP A 516 12.847 -2.473 -0.235 1.00 0.00 O ATOM 0 H ASP A 516 12.488 -4.605 -2.202 1.00 0.00 H new ATOM 0 HA ASP A 516 11.323 -6.500 -0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 516 10.803 -4.324 0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 516 12.469 -4.797 0.575 1.00 0.00 H new ATOM 1109 N ALA A 517 9.175 -4.422 -1.920 1.00 0.00 N ATOM 1110 CA ALA A 517 7.760 -4.212 -2.200 1.00 0.00 C ATOM 1111 C ALA A 517 7.073 -5.524 -2.565 1.00 0.00 C ATOM 1112 O ALA A 517 6.151 -5.966 -1.879 1.00 0.00 O ATOM 1113 CB ALA A 517 7.588 -3.195 -3.319 1.00 0.00 C ATOM 0 H ALA A 517 9.799 -3.757 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 517 7.290 -3.824 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 517 6.526 -3.048 -3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 517 8.036 -2.247 -3.021 1.00 0.00 H new ATOM 0 HB3 ALA A 517 8.078 -3.560 -4.221 1.00 0.00 H new ATOM 1119 N LYS A 518 7.527 -6.142 -3.650 1.00 0.00 N ATOM 1120 CA LYS A 518 6.957 -7.404 -4.108 1.00 0.00 C ATOM 1121 C LYS A 518 7.100 -8.484 -3.040 1.00 0.00 C ATOM 1122 O LYS A 518 6.110 -9.053 -2.581 1.00 0.00 O ATOM 1123 CB LYS A 518 7.639 -7.856 -5.401 1.00 0.00 C ATOM 1124 CG LYS A 518 7.132 -7.137 -6.639 1.00 0.00 C ATOM 1125 CD LYS A 518 8.061 -7.345 -7.824 1.00 0.00 C ATOM 1126 CE LYS A 518 7.320 -7.206 -9.144 1.00 0.00 C ATOM 1127 NZ LYS A 518 6.818 -5.820 -9.356 1.00 0.00 N ATOM 0 H LYS A 518 8.289 -5.789 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 518 5.896 -7.247 -4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 518 8.713 -7.694 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 518 7.488 -8.928 -5.526 1.00 0.00 H new ATOM 0 HG2 LYS A 518 6.135 -7.500 -6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 518 7.040 -6.071 -6.430 1.00 0.00 H new ATOM 0 HD2 LYS A 518 8.873 -6.619 -7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 518 8.515 -8.334 -7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 518 7.984 -7.481 -9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 518 6.482 -7.903 -9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 6.319 -5.767 -10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 6.165 -5.566 -8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 7.620 -5.157 -9.362 1.00 0.00 H new ATOM 1141 N LYS A 519 8.339 -8.761 -2.648 1.00 0.00 N ATOM 1142 CA LYS A 519 8.613 -9.771 -1.632 1.00 0.00 C ATOM 1143 C LYS A 519 7.556 -9.737 -0.533 1.00 0.00 C ATOM 1144 O LYS A 519 6.917 -10.748 -0.241 1.00 0.00 O ATOM 1145 CB LYS A 519 10.001 -9.552 -1.027 1.00 0.00 C ATOM 1146 CG LYS A 519 11.108 -10.286 -1.764 1.00 0.00 C ATOM 1147 CD LYS A 519 12.477 -9.940 -1.201 1.00 0.00 C ATOM 1148 CE LYS A 519 12.804 -10.778 0.025 1.00 0.00 C ATOM 1149 NZ LYS A 519 13.235 -12.155 -0.343 1.00 0.00 N ATOM 0 H LYS A 519 9.170 -8.300 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 519 8.583 -10.750 -2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 519 10.223 -8.485 -1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 519 9.990 -9.878 0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 519 10.944 -11.361 -1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 519 11.074 -10.030 -2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 519 13.237 -10.100 -1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 519 12.507 -8.882 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 519 13.594 -10.291 0.597 1.00 0.00 H new ATOM 0 HE3 LYS A 519 11.928 -10.832 0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 12.968 -12.816 0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 12.772 -12.438 -1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 14.267 -12.173 -0.470 1.00 0.00 H new ATOM 1163 N ALA A 520 7.377 -8.568 0.073 1.00 0.00 N ATOM 1164 CA ALA A 520 6.395 -8.402 1.138 1.00 0.00 C ATOM 1165 C ALA A 520 4.974 -8.503 0.595 1.00 0.00 C ATOM 1166 O ALA A 520 4.200 -9.367 1.009 1.00 0.00 O ATOM 1167 CB ALA A 520 6.599 -7.068 1.841 1.00 0.00 C ATOM 0 H ALA A 520 7.899 -7.722 -0.155 1.00 0.00 H new ATOM 0 HA ALA A 520 6.539 -9.206 1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 520 5.859 -6.958 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.600 -7.033 2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.485 -6.257 1.122 1.00 0.00 H new ATOM 1173 N PHE A 521 4.635 -7.615 -0.335 1.00 0.00 N ATOM 1174 CA PHE A 521 3.306 -7.604 -0.933 1.00 0.00 C ATOM 1175 C PHE A 521 2.780 -9.025 -1.116 1.00 0.00 C ATOM 1176 O PHE A 521 1.706 -9.369 -0.622 1.00 0.00 O ATOM 1177 CB PHE A 521 3.337 -6.882 -2.282 1.00 0.00 C ATOM 1178 CG PHE A 521 2.055 -7.003 -3.056 1.00 0.00 C ATOM 1179 CD1 PHE A 521 1.723 -8.188 -3.691 1.00 0.00 C ATOM 1180 CD2 PHE A 521 1.182 -5.930 -3.147 1.00 0.00 C ATOM 1181 CE1 PHE A 521 0.544 -8.301 -4.405 1.00 0.00 C ATOM 1182 CE2 PHE A 521 0.002 -6.038 -3.859 1.00 0.00 C ATOM 1183 CZ PHE A 521 -0.317 -7.225 -4.487 1.00 0.00 C ATOM 0 H PHE A 521 5.263 -6.894 -0.690 1.00 0.00 H new ATOM 0 HA PHE A 521 2.636 -7.071 -0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 521 3.553 -5.827 -2.115 1.00 0.00 H new ATOM 0 HB3 PHE A 521 4.154 -7.284 -2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 521 2.392 -9.033 -3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 521 1.426 -4.999 -2.656 1.00 0.00 H new ATOM 0 HE1 PHE A 521 0.297 -9.230 -4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 521 -0.669 -5.195 -3.924 1.00 0.00 H new ATOM 0 HZ PHE A 521 -1.239 -7.312 -5.042 1.00 0.00 H new ATOM 1193 N ASN A 522 3.544 -9.845 -1.830 1.00 0.00 N ATOM 1194 CA ASN A 522 3.155 -11.229 -2.079 1.00 0.00 C ATOM 1195 C ASN A 522 3.126 -12.028 -0.780 1.00 0.00 C ATOM 1196 O ASN A 522 2.182 -12.774 -0.519 1.00 0.00 O ATOM 1197 CB ASN A 522 4.120 -11.881 -3.071 1.00 0.00 C ATOM 1198 CG ASN A 522 3.557 -13.153 -3.675 1.00 0.00 C ATOM 1199 OD1 ASN A 522 4.057 -14.248 -3.419 1.00 0.00 O ATOM 1200 ND2 ASN A 522 2.511 -13.013 -4.480 1.00 0.00 N ATOM 0 H ASN A 522 4.435 -9.576 -2.246 1.00 0.00 H new ATOM 0 HA ASN A 522 2.152 -11.227 -2.506 1.00 0.00 H new ATOM 0 HB2 ASN A 522 4.349 -11.174 -3.868 1.00 0.00 H new ATOM 0 HB3 ASN A 522 5.059 -12.107 -2.565 1.00 0.00 H new ATOM 0 HD21 ASN A 522 2.089 -13.833 -4.915 1.00 0.00 H new ATOM 0 HD22 ASN A 522 2.129 -12.085 -4.664 1.00 0.00 H new ATOM 1207 N ALA A 523 4.166 -11.867 0.031 1.00 0.00 N ATOM 1208 CA ALA A 523 4.259 -12.572 1.304 1.00 0.00 C ATOM 1209 C ALA A 523 2.963 -12.444 2.097 1.00 0.00 C ATOM 1210 O ALA A 523 2.487 -13.414 2.689 1.00 0.00 O ATOM 1211 CB ALA A 523 5.431 -12.042 2.116 1.00 0.00 C ATOM 0 H ALA A 523 4.956 -11.255 -0.171 1.00 0.00 H new ATOM 0 HA ALA A 523 4.424 -13.629 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 523 5.489 -12.577 3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 523 6.356 -12.190 1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 523 5.289 -10.978 2.308 1.00 0.00 H new ATOM 1217 N LEU A 524 2.395 -11.243 2.106 1.00 0.00 N ATOM 1218 CA LEU A 524 1.153 -10.989 2.828 1.00 0.00 C ATOM 1219 C LEU A 524 -0.056 -11.390 1.989 1.00 0.00 C ATOM 1220 O LEU A 524 -0.886 -12.190 2.422 1.00 0.00 O ATOM 1221 CB LEU A 524 1.056 -9.511 3.210 1.00 0.00 C ATOM 1222 CG LEU A 524 2.199 -8.962 4.065 1.00 0.00 C ATOM 1223 CD1 LEU A 524 2.031 -7.466 4.284 1.00 0.00 C ATOM 1224 CD2 LEU A 524 2.267 -9.694 5.397 1.00 0.00 C ATOM 0 H LEU A 524 2.775 -10.430 1.621 1.00 0.00 H new ATOM 0 HA LEU A 524 1.158 -11.593 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 524 0.999 -8.923 2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 524 0.120 -9.356 3.747 1.00 0.00 H new ATOM 0 HG LEU A 524 3.137 -9.127 3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 524 2.853 -7.093 4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 524 2.033 -6.955 3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 524 1.086 -7.277 4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 524 3.086 -9.291 5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 524 1.328 -9.561 5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 524 2.436 -10.756 5.220 1.00 0.00 H new ATOM 1236 N CYS A 525 -0.148 -10.830 0.788 1.00 0.00 N ATOM 1237 CA CYS A 525 -1.255 -11.130 -0.113 1.00 0.00 C ATOM 1238 C CYS A 525 -1.695 -12.584 0.032 1.00 0.00 C ATOM 1239 O CYS A 525 -2.886 -12.875 0.142 1.00 0.00 O ATOM 1240 CB CYS A 525 -0.852 -10.849 -1.561 1.00 0.00 C ATOM 1241 SG CYS A 525 -1.976 -11.553 -2.790 1.00 0.00 S ATOM 0 H CYS A 525 0.531 -10.166 0.416 1.00 0.00 H new ATOM 0 HA CYS A 525 -2.093 -10.487 0.154 1.00 0.00 H new ATOM 0 HB2 CYS A 525 -0.798 -9.770 -1.709 1.00 0.00 H new ATOM 0 HB3 CYS A 525 0.149 -11.244 -1.731 1.00 0.00 H new ATOM 0 HG CYS A 525 -1.552 -11.260 -3.984 1.00 0.00 H new ATOM 1247 N HIS A 526 -0.725 -13.493 0.029 1.00 0.00 N ATOM 1248 CA HIS A 526 -1.013 -14.917 0.159 1.00 0.00 C ATOM 1249 C HIS A 526 -2.090 -15.160 1.212 1.00 0.00 C ATOM 1250 O HIS A 526 -3.183 -15.632 0.898 1.00 0.00 O ATOM 1251 CB HIS A 526 0.258 -15.684 0.527 1.00 0.00 C ATOM 1252 CG HIS A 526 1.123 -16.009 -0.651 1.00 0.00 C ATOM 1253 ND1 HIS A 526 2.040 -17.039 -0.650 1.00 0.00 N ATOM 1254 CD2 HIS A 526 1.207 -15.435 -1.874 1.00 0.00 C ATOM 1255 CE1 HIS A 526 2.651 -17.083 -1.820 1.00 0.00 C ATOM 1256 NE2 HIS A 526 2.164 -16.120 -2.581 1.00 0.00 N ATOM 0 H HIS A 526 0.266 -13.269 -0.062 1.00 0.00 H new ATOM 0 HA HIS A 526 -1.381 -15.277 -0.802 1.00 0.00 H new ATOM 0 HB2 HIS A 526 0.835 -15.094 1.239 1.00 0.00 H new ATOM 0 HB3 HIS A 526 -0.019 -16.610 1.030 1.00 0.00 H new ATOM 0 HD2 HIS A 526 0.629 -14.594 -2.228 1.00 0.00 H new ATOM 0 HE1 HIS A 526 3.419 -17.787 -2.106 1.00 0.00 H new ATOM 0 HE2 HIS A 526 2.452 -15.918 -3.538 1.00 0.00 H new ATOM 1264 N SER A 527 -1.774 -14.835 2.461 1.00 0.00 N ATOM 1265 CA SER A 527 -2.714 -15.022 3.561 1.00 0.00 C ATOM 1266 C SER A 527 -2.323 -14.165 4.761 1.00 0.00 C ATOM 1267 O SER A 527 -1.363 -14.468 5.470 1.00 0.00 O ATOM 1268 CB SER A 527 -2.768 -16.496 3.968 1.00 0.00 C ATOM 1269 OG SER A 527 -3.995 -16.804 4.606 1.00 0.00 O ATOM 0 H SER A 527 -0.875 -14.441 2.737 1.00 0.00 H new ATOM 0 HA SER A 527 -3.701 -14.710 3.220 1.00 0.00 H new ATOM 0 HB2 SER A 527 -2.645 -17.125 3.086 1.00 0.00 H new ATOM 0 HB3 SER A 527 -1.939 -16.722 4.639 1.00 0.00 H new ATOM 0 HG SER A 527 -4.005 -17.752 4.855 1.00 0.00 H new ATOM 1275 N THR A 528 -3.075 -13.091 4.983 1.00 0.00 N ATOM 1276 CA THR A 528 -2.808 -12.188 6.096 1.00 0.00 C ATOM 1277 C THR A 528 -4.027 -12.058 7.002 1.00 0.00 C ATOM 1278 O THR A 528 -5.115 -11.700 6.549 1.00 0.00 O ATOM 1279 CB THR A 528 -2.400 -10.789 5.599 1.00 0.00 C ATOM 1280 OG1 THR A 528 -1.675 -10.898 4.369 1.00 0.00 O ATOM 1281 CG2 THR A 528 -1.546 -10.074 6.635 1.00 0.00 C ATOM 0 H THR A 528 -3.874 -12.826 4.407 1.00 0.00 H new ATOM 0 HA THR A 528 -1.982 -12.619 6.662 1.00 0.00 H new ATOM 0 HB THR A 528 -3.307 -10.207 5.435 1.00 0.00 H new ATOM 0 HG1 THR A 528 -1.327 -11.809 4.274 1.00 0.00 H new ATOM 0 HG21 THR A 528 -1.270 -9.088 6.261 1.00 0.00 H new ATOM 0 HG22 THR A 528 -2.111 -9.966 7.561 1.00 0.00 H new ATOM 0 HG23 THR A 528 -0.644 -10.655 6.826 1.00 0.00 H new ATOM 1289 N HIS A 529 -3.839 -12.349 8.285 1.00 0.00 N ATOM 1290 CA HIS A 529 -4.924 -12.263 9.256 1.00 0.00 C ATOM 1291 C HIS A 529 -4.586 -11.266 10.361 1.00 0.00 C ATOM 1292 O HIS A 529 -3.498 -11.308 10.938 1.00 0.00 O ATOM 1293 CB HIS A 529 -5.205 -13.638 9.862 1.00 0.00 C ATOM 1294 CG HIS A 529 -5.149 -14.755 8.865 1.00 0.00 C ATOM 1295 ND1 HIS A 529 -5.718 -14.674 7.612 1.00 0.00 N ATOM 1296 CD2 HIS A 529 -4.585 -15.983 8.942 1.00 0.00 C ATOM 1297 CE1 HIS A 529 -5.508 -15.804 6.962 1.00 0.00 C ATOM 1298 NE2 HIS A 529 -4.822 -16.615 7.747 1.00 0.00 N ATOM 0 H HIS A 529 -2.945 -12.646 8.677 1.00 0.00 H new ATOM 0 HA HIS A 529 -5.817 -11.914 8.737 1.00 0.00 H new ATOM 0 HB2 HIS A 529 -4.481 -13.832 10.654 1.00 0.00 H new ATOM 0 HB3 HIS A 529 -6.191 -13.626 10.327 1.00 0.00 H new ATOM 0 HD2 HIS A 529 -4.048 -16.390 9.786 1.00 0.00 H new ATOM 0 HE1 HIS A 529 -5.841 -16.027 5.959 1.00 0.00 H new ATOM 0 HE2 HIS A 529 -4.518 -17.558 7.504 1.00 0.00 H new ATOM 1306 N LEU A 530 -5.524 -10.372 10.652 1.00 0.00 N ATOM 1307 CA LEU A 530 -5.326 -9.364 11.687 1.00 0.00 C ATOM 1308 C LEU A 530 -6.605 -9.149 12.490 1.00 0.00 C ATOM 1309 O LEU A 530 -7.682 -8.965 11.923 1.00 0.00 O ATOM 1310 CB LEU A 530 -4.874 -8.043 11.061 1.00 0.00 C ATOM 1311 CG LEU A 530 -4.184 -7.056 12.003 1.00 0.00 C ATOM 1312 CD1 LEU A 530 -2.737 -7.463 12.236 1.00 0.00 C ATOM 1313 CD2 LEU A 530 -4.257 -5.643 11.441 1.00 0.00 C ATOM 0 H LEU A 530 -6.430 -10.325 10.185 1.00 0.00 H new ATOM 0 HA LEU A 530 -4.550 -9.722 12.364 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -4.193 -8.267 10.240 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.745 -7.552 10.628 1.00 0.00 H new ATOM 0 HG LEU A 530 -4.704 -7.073 12.961 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -2.262 -6.749 12.909 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -2.706 -8.457 12.681 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -2.205 -7.475 11.285 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -3.761 -4.954 12.124 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -3.762 -5.611 10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -5.301 -5.351 11.325 1.00 0.00 H new ATOM 1325 N TYR A 531 -6.478 -9.171 13.812 1.00 0.00 N ATOM 1326 CA TYR A 531 -7.624 -8.978 14.693 1.00 0.00 C ATOM 1327 C TYR A 531 -8.811 -9.819 14.234 1.00 0.00 C ATOM 1328 O TYR A 531 -9.965 -9.464 14.467 1.00 0.00 O ATOM 1329 CB TYR A 531 -8.018 -7.501 14.736 1.00 0.00 C ATOM 1330 CG TYR A 531 -6.912 -6.593 15.227 1.00 0.00 C ATOM 1331 CD1 TYR A 531 -6.475 -6.647 16.545 1.00 0.00 C ATOM 1332 CD2 TYR A 531 -6.303 -5.683 14.371 1.00 0.00 C ATOM 1333 CE1 TYR A 531 -5.466 -5.819 16.997 1.00 0.00 C ATOM 1334 CE2 TYR A 531 -5.292 -4.853 14.814 1.00 0.00 C ATOM 1335 CZ TYR A 531 -4.877 -4.924 16.128 1.00 0.00 C ATOM 1336 OH TYR A 531 -3.871 -4.099 16.574 1.00 0.00 O ATOM 0 H TYR A 531 -5.593 -9.320 14.297 1.00 0.00 H new ATOM 0 HA TYR A 531 -7.339 -9.300 15.694 1.00 0.00 H new ATOM 0 HB2 TYR A 531 -8.320 -7.185 13.737 1.00 0.00 H new ATOM 0 HB3 TYR A 531 -8.887 -7.384 15.384 1.00 0.00 H new ATOM 0 HD1 TYR A 531 -6.932 -7.348 17.227 1.00 0.00 H new ATOM 0 HD2 TYR A 531 -6.626 -5.624 13.342 1.00 0.00 H new ATOM 0 HE1 TYR A 531 -5.140 -5.872 18.025 1.00 0.00 H new ATOM 0 HE2 TYR A 531 -4.829 -4.152 14.136 1.00 0.00 H new ATOM 0 HH TYR A 531 -3.378 -4.545 17.294 1.00 0.00 H new ATOM 1346 N GLY A 532 -8.517 -10.939 13.579 1.00 0.00 N ATOM 1347 CA GLY A 532 -9.569 -11.815 13.098 1.00 0.00 C ATOM 1348 C GLY A 532 -10.171 -11.335 11.792 1.00 0.00 C ATOM 1349 O GLY A 532 -11.344 -11.582 11.513 1.00 0.00 O ATOM 0 H GLY A 532 -7.569 -11.255 13.373 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.168 -12.819 12.962 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.353 -11.884 13.852 1.00 0.00 H new ATOM 1353 N ARG A 533 -9.366 -10.646 10.989 1.00 0.00 N ATOM 1354 CA ARG A 533 -9.826 -10.128 9.707 1.00 0.00 C ATOM 1355 C ARG A 533 -8.778 -10.354 8.621 1.00 0.00 C ATOM 1356 O ARG A 533 -7.588 -10.126 8.837 1.00 0.00 O ATOM 1357 CB ARG A 533 -10.145 -8.636 9.820 1.00 0.00 C ATOM 1358 CG ARG A 533 -11.389 -8.340 10.642 1.00 0.00 C ATOM 1359 CD ARG A 533 -12.066 -7.057 10.186 1.00 0.00 C ATOM 1360 NE ARG A 533 -13.094 -6.617 11.125 1.00 0.00 N ATOM 1361 CZ ARG A 533 -14.024 -5.716 10.827 1.00 0.00 C ATOM 1362 NH1 ARG A 533 -14.053 -5.162 9.623 1.00 0.00 N ATOM 1363 NH2 ARG A 533 -14.926 -5.367 11.736 1.00 0.00 N ATOM 0 H ARG A 533 -8.392 -10.434 11.204 1.00 0.00 H new ATOM 0 HA ARG A 533 -10.732 -10.667 9.431 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -9.293 -8.124 10.268 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -10.274 -8.224 8.819 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -12.089 -9.172 10.558 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -11.119 -8.256 11.695 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -11.318 -6.272 10.074 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -12.514 -7.213 9.205 1.00 0.00 H new ATOM 0 HE ARG A 533 -13.098 -7.023 12.061 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -13.360 -5.427 8.923 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -14.768 -4.471 9.397 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -14.905 -5.790 12.664 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -15.640 -4.675 11.507 1.00 0.00 H new ATOM 1377 N ARG A 534 -9.229 -10.803 7.455 1.00 0.00 N ATOM 1378 CA ARG A 534 -8.330 -11.062 6.336 1.00 0.00 C ATOM 1379 C ARG A 534 -8.110 -9.796 5.512 1.00 0.00 C ATOM 1380 O ARG A 534 -9.021 -9.317 4.836 1.00 0.00 O ATOM 1381 CB ARG A 534 -8.894 -12.171 5.446 1.00 0.00 C ATOM 1382 CG ARG A 534 -8.134 -12.352 4.143 1.00 0.00 C ATOM 1383 CD ARG A 534 -6.960 -13.303 4.310 1.00 0.00 C ATOM 1384 NE ARG A 534 -7.351 -14.696 4.111 1.00 0.00 N ATOM 1385 CZ ARG A 534 -7.419 -15.277 2.918 1.00 0.00 C ATOM 1386 NH1 ARG A 534 -7.123 -14.589 1.824 1.00 0.00 N ATOM 1387 NH2 ARG A 534 -7.783 -16.549 2.818 1.00 0.00 N ATOM 0 H ARG A 534 -10.212 -10.995 7.260 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.370 -11.384 6.740 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -8.880 -13.111 5.998 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -9.937 -11.949 5.221 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -8.808 -12.736 3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -7.773 -11.385 3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -6.177 -13.041 3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -6.536 -13.184 5.307 1.00 0.00 H new ATOM 0 HE ARG A 534 -7.585 -15.253 4.933 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -6.842 -13.611 1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -7.176 -15.038 0.909 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -8.011 -17.082 3.657 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -7.835 -16.994 1.902 1.00 0.00 H new ATOM 1401 N LEU A 535 -6.896 -9.260 5.574 1.00 0.00 N ATOM 1402 CA LEU A 535 -6.556 -8.050 4.834 1.00 0.00 C ATOM 1403 C LEU A 535 -6.395 -8.348 3.347 1.00 0.00 C ATOM 1404 O LEU A 535 -5.987 -9.444 2.963 1.00 0.00 O ATOM 1405 CB LEU A 535 -5.267 -7.437 5.385 1.00 0.00 C ATOM 1406 CG LEU A 535 -5.279 -7.075 6.871 1.00 0.00 C ATOM 1407 CD1 LEU A 535 -3.886 -6.677 7.334 1.00 0.00 C ATOM 1408 CD2 LEU A 535 -6.272 -5.953 7.139 1.00 0.00 C ATOM 0 H LEU A 535 -6.131 -9.644 6.129 1.00 0.00 H new ATOM 0 HA LEU A 535 -7.372 -7.338 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.451 -8.137 5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -5.043 -6.536 4.814 1.00 0.00 H new ATOM 0 HG LEU A 535 -5.592 -7.953 7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -3.914 -6.423 8.394 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -3.199 -7.509 7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -3.545 -5.814 6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -6.267 -5.709 8.201 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -5.990 -5.072 6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -7.271 -6.274 6.845 1.00 0.00 H new ATOM 1420 N VAL A 536 -6.717 -7.364 2.513 1.00 0.00 N ATOM 1421 CA VAL A 536 -6.605 -7.520 1.068 1.00 0.00 C ATOM 1422 C VAL A 536 -5.394 -6.767 0.526 1.00 0.00 C ATOM 1423 O VAL A 536 -5.186 -5.595 0.843 1.00 0.00 O ATOM 1424 CB VAL A 536 -7.871 -7.018 0.349 1.00 0.00 C ATOM 1425 CG1 VAL A 536 -7.694 -7.090 -1.160 1.00 0.00 C ATOM 1426 CG2 VAL A 536 -9.086 -7.820 0.790 1.00 0.00 C ATOM 0 H VAL A 536 -7.057 -6.451 2.814 1.00 0.00 H new ATOM 0 HA VAL A 536 -6.484 -8.586 0.873 1.00 0.00 H new ATOM 0 HB VAL A 536 -8.033 -5.975 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -8.599 -6.731 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -6.849 -6.468 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -7.506 -8.122 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -9.972 -7.452 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -8.935 -8.872 0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -9.223 -7.711 1.866 1.00 0.00 H new ATOM 1436 N LEU A 537 -4.600 -7.447 -0.292 1.00 0.00 N ATOM 1437 CA LEU A 537 -3.409 -6.843 -0.880 1.00 0.00 C ATOM 1438 C LEU A 537 -3.668 -6.419 -2.322 1.00 0.00 C ATOM 1439 O LEU A 537 -3.909 -7.257 -3.191 1.00 0.00 O ATOM 1440 CB LEU A 537 -2.236 -7.824 -0.828 1.00 0.00 C ATOM 1441 CG LEU A 537 -1.379 -7.778 0.438 1.00 0.00 C ATOM 1442 CD1 LEU A 537 -0.514 -6.527 0.452 1.00 0.00 C ATOM 1443 CD2 LEU A 537 -2.257 -7.836 1.679 1.00 0.00 C ATOM 0 H LEU A 537 -4.759 -8.417 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 537 -3.158 -5.955 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -2.628 -8.835 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -1.591 -7.635 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 537 -0.723 -8.648 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 537 0.089 -6.512 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 537 0.142 -6.528 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -1.152 -5.643 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -1.630 -7.802 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -2.939 -6.986 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -2.832 -8.762 1.675 1.00 0.00 H new ATOM 1455 N GLU A 538 -3.614 -5.114 -2.569 1.00 0.00 N ATOM 1456 CA GLU A 538 -3.842 -4.580 -3.906 1.00 0.00 C ATOM 1457 C GLU A 538 -2.838 -3.478 -4.231 1.00 0.00 C ATOM 1458 O GLU A 538 -2.559 -2.614 -3.399 1.00 0.00 O ATOM 1459 CB GLU A 538 -5.268 -4.038 -4.027 1.00 0.00 C ATOM 1460 CG GLU A 538 -6.290 -5.095 -4.411 1.00 0.00 C ATOM 1461 CD GLU A 538 -7.515 -4.505 -5.083 1.00 0.00 C ATOM 1462 OE1 GLU A 538 -7.418 -3.377 -5.611 1.00 0.00 O ATOM 1463 OE2 GLU A 538 -8.572 -5.171 -5.080 1.00 0.00 O ATOM 0 H GLU A 538 -3.414 -4.408 -1.861 1.00 0.00 H new ATOM 0 HA GLU A 538 -3.708 -5.392 -4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 538 -5.560 -3.591 -3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 538 -5.283 -3.242 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 538 -5.825 -5.818 -5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 538 -6.597 -5.640 -3.518 1.00 0.00 H new ATOM 1470 N TRP A 539 -2.300 -3.515 -5.444 1.00 0.00 N ATOM 1471 CA TRP A 539 -1.326 -2.520 -5.878 1.00 0.00 C ATOM 1472 C TRP A 539 -2.010 -1.199 -6.214 1.00 0.00 C ATOM 1473 O TRP A 539 -2.904 -1.150 -7.058 1.00 0.00 O ATOM 1474 CB TRP A 539 -0.552 -3.031 -7.095 1.00 0.00 C ATOM 1475 CG TRP A 539 0.372 -4.167 -6.776 1.00 0.00 C ATOM 1476 CD1 TRP A 539 0.047 -5.491 -6.702 1.00 0.00 C ATOM 1477 CD2 TRP A 539 1.772 -4.078 -6.488 1.00 0.00 C ATOM 1478 NE1 TRP A 539 1.160 -6.231 -6.384 1.00 0.00 N ATOM 1479 CE2 TRP A 539 2.231 -5.388 -6.249 1.00 0.00 C ATOM 1480 CE3 TRP A 539 2.682 -3.021 -6.411 1.00 0.00 C ATOM 1481 CZ2 TRP A 539 3.560 -5.665 -5.937 1.00 0.00 C ATOM 1482 CZ3 TRP A 539 4.000 -3.298 -6.101 1.00 0.00 C ATOM 1483 CH2 TRP A 539 4.429 -4.611 -5.868 1.00 0.00 C ATOM 0 H TRP A 539 -2.521 -4.223 -6.145 1.00 0.00 H new ATOM 0 HA TRP A 539 -0.629 -2.349 -5.058 1.00 0.00 H new ATOM 0 HB2 TRP A 539 -1.260 -3.352 -7.859 1.00 0.00 H new ATOM 0 HB3 TRP A 539 0.026 -2.210 -7.520 1.00 0.00 H new ATOM 0 HD1 TRP A 539 -0.940 -5.897 -6.869 1.00 0.00 H new ATOM 0 HE1 TRP A 539 1.185 -7.244 -6.267 1.00 0.00 H new ATOM 0 HE3 TRP A 539 2.361 -2.005 -6.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 539 3.893 -6.676 -5.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 539 4.712 -2.488 -6.037 1.00 0.00 H new ATOM 0 HH2 TRP A 539 5.466 -4.795 -5.629 1.00 0.00 H new