USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 535 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 439 HIS : no HD1:sc= -0.95 X(o=-0.95,f=-0.65) USER MOD Single : A 442 HIS :FLIP no HD1:sc= -0.116 F(o=-0.65,f=-0.12) USER MOD Single : A 444 THR OG1 : rot 51:sc= -0.136 USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 451 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 8:sc= 0.0616 USER MOD Single : A 456 GLN : amide:sc=-0.00265 X(o=-0.0027,f=-0.0027) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.27) USER MOD Single : A 465 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.6!) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 180:sc= -1.36 USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 483 GLN :FLIP amide:sc= 0.509 F(o=-1.7,f=0.51) USER MOD Single : A 485 GLN :FLIP amide:sc= -0.767 F(o=-1.4!,f=-0.77) USER MOD Single : A 489 ASN :FLIP amide:sc= -3.87! C(o=-4.5!,f=-3.9!) USER MOD Single : A 490 THR OG1 : rot -27:sc= 0.916 USER MOD Single : A 491 SER OG : rot -37:sc= 0.638 USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 TYR OH : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 TYR OH : rot 180:sc= 0 USER MOD Single : A 500 GLN : amide:sc= -12.1! C(o=-12!,f=-13!) USER MOD Single : A 501 THR OG1 : rot 180:sc= 0.00859 USER MOD Single : A 502 TYR OH : rot 180:sc= 0 USER MOD Single : A 505 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 207 N HIS A 439 -6.334 8.567 6.328 1.00 0.00 N ATOM 208 CA HIS A 439 -5.334 7.926 5.480 1.00 0.00 C ATOM 209 C HIS A 439 -4.820 6.641 6.123 1.00 0.00 C ATOM 210 O HIS A 439 -4.549 5.656 5.435 1.00 0.00 O ATOM 211 CB HIS A 439 -4.169 8.881 5.218 1.00 0.00 C ATOM 212 CG HIS A 439 -3.825 9.743 6.394 1.00 0.00 C ATOM 213 ND1 HIS A 439 -4.506 10.901 6.703 1.00 0.00 N ATOM 214 CD2 HIS A 439 -2.867 9.608 7.340 1.00 0.00 C ATOM 215 CE1 HIS A 439 -3.980 11.443 7.787 1.00 0.00 C ATOM 216 NE2 HIS A 439 -2.984 10.678 8.194 1.00 0.00 N ATOM 0 HA HIS A 439 -5.806 7.673 4.531 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -3.291 8.301 4.934 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.417 9.519 4.370 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -2.145 8.808 7.411 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -4.309 12.357 8.260 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -2.397 10.853 9.010 1.00 0.00 H new ATOM 225 N VAL A 440 -4.686 6.659 7.445 1.00 0.00 N ATOM 226 CA VAL A 440 -4.205 5.495 8.180 1.00 0.00 C ATOM 227 C VAL A 440 -5.242 4.378 8.181 1.00 0.00 C ATOM 228 O VAL A 440 -6.443 4.630 8.288 1.00 0.00 O ATOM 229 CB VAL A 440 -3.855 5.857 9.636 1.00 0.00 C ATOM 230 CG1 VAL A 440 -3.403 4.621 10.399 1.00 0.00 C ATOM 231 CG2 VAL A 440 -2.785 6.938 9.673 1.00 0.00 C ATOM 0 H VAL A 440 -4.904 7.466 8.029 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.305 5.150 7.672 1.00 0.00 H new ATOM 0 HB VAL A 440 -4.750 6.247 10.121 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -3.160 4.896 11.425 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -4.204 3.882 10.401 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -2.521 4.199 9.918 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -2.550 7.182 10.709 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -1.887 6.578 9.172 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.151 7.830 9.165 1.00 0.00 H new ATOM 241 N LEU A 441 -4.771 3.142 8.062 1.00 0.00 N ATOM 242 CA LEU A 441 -5.658 1.983 8.049 1.00 0.00 C ATOM 243 C LEU A 441 -5.188 0.927 9.044 1.00 0.00 C ATOM 244 O LEU A 441 -4.027 0.516 9.028 1.00 0.00 O ATOM 245 CB LEU A 441 -5.724 1.382 6.644 1.00 0.00 C ATOM 246 CG LEU A 441 -6.098 2.347 5.518 1.00 0.00 C ATOM 247 CD1 LEU A 441 -5.847 1.708 4.162 1.00 0.00 C ATOM 248 CD2 LEU A 441 -7.552 2.779 5.646 1.00 0.00 C ATOM 0 H LEU A 441 -3.780 2.916 7.973 1.00 0.00 H new ATOM 0 HA LEU A 441 -6.654 2.315 8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -4.753 0.943 6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -6.448 0.567 6.653 1.00 0.00 H new ATOM 0 HG LEU A 441 -5.468 3.233 5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -6.119 2.409 3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -4.792 1.451 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -6.450 0.805 4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -7.800 3.465 4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 441 -8.198 1.903 5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 441 -7.700 3.278 6.603 1.00 0.00 H new ATOM 260 N HIS A 442 -6.097 0.490 9.909 1.00 0.00 N ATOM 261 CA HIS A 442 -5.777 -0.521 10.910 1.00 0.00 C ATOM 262 C HIS A 442 -6.122 -1.918 10.402 1.00 0.00 C ATOM 263 O HIS A 442 -7.291 -2.241 10.189 1.00 0.00 O ATOM 264 CB HIS A 442 -6.530 -0.239 12.211 1.00 0.00 C ATOM 265 CG HIS A 442 -6.213 -1.206 13.309 1.00 0.00 C ATOM 266 ND1 HIS A 442 -5.085 -1.381 14.037 1.00 0.00 N flip ATOM 267 CD2 HIS A 442 -7.114 -2.142 13.771 1.00 0.00 C flip ATOM 268 CE1 HIS A 442 -5.323 -2.408 14.917 1.00 0.00 C flip ATOM 269 NE2 HIS A 442 -6.555 -2.850 14.736 1.00 0.00 N flip ATOM 0 H HIS A 442 -7.062 0.820 9.937 1.00 0.00 H new ATOM 0 HA HIS A 442 -4.705 -0.478 11.103 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -6.292 0.770 12.547 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -7.602 -0.265 12.014 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -8.120 -2.275 13.401 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -4.618 -2.792 15.639 1.00 0.00 H new ATOM 0 HE2 HIS A 442 -6.999 -3.609 15.253 1.00 0.00 H new ATOM 278 N VAL A 443 -5.098 -2.743 10.210 1.00 0.00 N ATOM 279 CA VAL A 443 -5.293 -4.105 9.727 1.00 0.00 C ATOM 280 C VAL A 443 -4.897 -5.126 10.788 1.00 0.00 C ATOM 281 O VAL A 443 -3.778 -5.104 11.301 1.00 0.00 O ATOM 282 CB VAL A 443 -4.477 -4.368 8.447 1.00 0.00 C ATOM 283 CG1 VAL A 443 -4.907 -5.676 7.800 1.00 0.00 C ATOM 284 CG2 VAL A 443 -4.624 -3.209 7.474 1.00 0.00 C ATOM 0 H VAL A 443 -4.124 -2.492 10.382 1.00 0.00 H new ATOM 0 HA VAL A 443 -6.354 -4.213 9.501 1.00 0.00 H new ATOM 0 HB VAL A 443 -3.425 -4.453 8.718 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -4.320 -5.846 6.897 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -4.745 -6.498 8.498 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.964 -5.623 7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -4.041 -3.412 6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.674 -3.090 7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.263 -2.293 7.942 1.00 0.00 H new ATOM 294 N THR A 444 -5.824 -6.022 11.113 1.00 0.00 N ATOM 295 CA THR A 444 -5.573 -7.051 12.114 1.00 0.00 C ATOM 296 C THR A 444 -5.217 -8.380 11.457 1.00 0.00 C ATOM 297 O THR A 444 -6.081 -9.067 10.913 1.00 0.00 O ATOM 298 CB THR A 444 -6.795 -7.255 13.029 1.00 0.00 C ATOM 299 OG1 THR A 444 -8.000 -7.195 12.257 1.00 0.00 O ATOM 300 CG2 THR A 444 -6.834 -6.199 14.123 1.00 0.00 C ATOM 0 H THR A 444 -6.755 -6.056 10.698 1.00 0.00 H new ATOM 0 HA THR A 444 -4.731 -6.708 12.716 1.00 0.00 H new ATOM 0 HB THR A 444 -6.712 -8.236 13.496 1.00 0.00 H new ATOM 0 HG1 THR A 444 -7.927 -7.800 11.490 1.00 0.00 H new ATOM 0 HG21 THR A 444 -7.706 -6.363 14.757 1.00 0.00 H new ATOM 0 HG22 THR A 444 -5.929 -6.267 14.726 1.00 0.00 H new ATOM 0 HG23 THR A 444 -6.896 -5.209 13.671 1.00 0.00 H new ATOM 308 N PHE A 445 -3.938 -8.738 11.513 1.00 0.00 N ATOM 309 CA PHE A 445 -3.467 -9.986 10.923 1.00 0.00 C ATOM 310 C PHE A 445 -2.721 -10.828 11.955 1.00 0.00 C ATOM 311 O PHE A 445 -2.175 -10.316 12.932 1.00 0.00 O ATOM 312 CB PHE A 445 -2.556 -9.698 9.728 1.00 0.00 C ATOM 313 CG PHE A 445 -1.462 -8.715 10.032 1.00 0.00 C ATOM 314 CD1 PHE A 445 -0.463 -9.029 10.939 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.432 -7.478 9.409 1.00 0.00 C ATOM 316 CE1 PHE A 445 0.545 -8.125 11.220 1.00 0.00 C ATOM 317 CE2 PHE A 445 -0.427 -6.570 9.686 1.00 0.00 C ATOM 318 CZ PHE A 445 0.564 -6.895 10.593 1.00 0.00 C ATOM 0 H PHE A 445 -3.210 -8.182 11.961 1.00 0.00 H new ATOM 0 HA PHE A 445 -4.336 -10.548 10.581 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -2.110 -10.633 9.388 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -3.160 -9.315 8.905 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -0.472 -9.990 11.432 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -2.203 -7.220 8.698 1.00 0.00 H new ATOM 0 HE1 PHE A 445 1.317 -8.381 11.930 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -0.416 -5.608 9.195 1.00 0.00 H new ATOM 0 HZ PHE A 445 1.351 -6.189 10.811 1.00 0.00 H new ATOM 328 N PRO A 446 -2.697 -12.150 11.733 1.00 0.00 N ATOM 329 CA PRO A 446 -2.022 -13.091 12.631 1.00 0.00 C ATOM 330 C PRO A 446 -0.504 -12.956 12.578 1.00 0.00 C ATOM 331 O PRO A 446 0.066 -12.659 11.529 1.00 0.00 O ATOM 332 CB PRO A 446 -2.456 -14.461 12.102 1.00 0.00 C ATOM 333 CG PRO A 446 -2.779 -14.227 10.667 1.00 0.00 C ATOM 334 CD PRO A 446 -3.328 -12.829 10.588 1.00 0.00 C ATOM 0 HA PRO A 446 -2.286 -12.919 13.674 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -1.661 -15.199 12.214 1.00 0.00 H new ATOM 0 HB3 PRO A 446 -3.321 -14.840 12.646 1.00 0.00 H new ATOM 0 HG2 PRO A 446 -1.890 -14.333 10.045 1.00 0.00 H new ATOM 0 HG3 PRO A 446 -3.508 -14.953 10.308 1.00 0.00 H new ATOM 0 HD2 PRO A 446 -3.070 -12.349 9.644 1.00 0.00 H new ATOM 0 HD3 PRO A 446 -4.415 -12.819 10.664 1.00 0.00 H new ATOM 342 N LYS A 447 0.145 -13.177 13.716 1.00 0.00 N ATOM 343 CA LYS A 447 1.598 -13.082 13.799 1.00 0.00 C ATOM 344 C LYS A 447 2.258 -13.792 12.622 1.00 0.00 C ATOM 345 O LYS A 447 3.189 -13.266 12.012 1.00 0.00 O ATOM 346 CB LYS A 447 2.094 -13.686 15.115 1.00 0.00 C ATOM 347 CG LYS A 447 1.887 -15.187 15.212 1.00 0.00 C ATOM 348 CD LYS A 447 2.173 -15.700 16.614 1.00 0.00 C ATOM 349 CE LYS A 447 3.647 -16.027 16.797 1.00 0.00 C ATOM 350 NZ LYS A 447 3.862 -17.036 17.871 1.00 0.00 N ATOM 0 H LYS A 447 -0.312 -13.423 14.594 1.00 0.00 H new ATOM 0 HA LYS A 447 1.871 -12.027 13.764 1.00 0.00 H new ATOM 0 HB2 LYS A 447 3.156 -13.466 15.229 1.00 0.00 H new ATOM 0 HB3 LYS A 447 1.578 -13.202 15.944 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.861 -15.432 14.936 1.00 0.00 H new ATOM 0 HG3 LYS A 447 2.539 -15.692 14.499 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.872 -14.950 17.346 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.575 -16.591 16.806 1.00 0.00 H new ATOM 0 HE2 LYS A 447 4.055 -16.403 15.859 1.00 0.00 H new ATOM 0 HE3 LYS A 447 4.194 -15.116 17.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 4.879 -17.232 17.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 3.496 -16.667 18.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 3.361 -17.914 17.627 1.00 0.00 H new ATOM 364 N GLU A 448 1.769 -14.987 12.307 1.00 0.00 N ATOM 365 CA GLU A 448 2.312 -15.767 11.201 1.00 0.00 C ATOM 366 C GLU A 448 2.697 -14.862 10.034 1.00 0.00 C ATOM 367 O GLU A 448 3.619 -15.166 9.277 1.00 0.00 O ATOM 368 CB GLU A 448 1.295 -16.811 10.736 1.00 0.00 C ATOM 369 CG GLU A 448 0.140 -16.225 9.942 1.00 0.00 C ATOM 370 CD GLU A 448 -1.030 -17.183 9.820 1.00 0.00 C ATOM 371 OE1 GLU A 448 -0.847 -18.271 9.237 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.128 -16.843 10.307 1.00 0.00 O ATOM 0 H GLU A 448 0.998 -15.436 12.802 1.00 0.00 H new ATOM 0 HA GLU A 448 3.208 -16.276 11.555 1.00 0.00 H new ATOM 0 HB2 GLU A 448 1.805 -17.555 10.124 1.00 0.00 H new ATOM 0 HB3 GLU A 448 0.898 -17.332 11.607 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -0.196 -15.306 10.422 1.00 0.00 H new ATOM 0 HG3 GLU A 448 0.489 -15.955 8.945 1.00 0.00 H new ATOM 379 N TRP A 449 1.985 -13.750 9.896 1.00 0.00 N ATOM 380 CA TRP A 449 2.251 -12.800 8.822 1.00 0.00 C ATOM 381 C TRP A 449 3.642 -12.192 8.965 1.00 0.00 C ATOM 382 O TRP A 449 4.407 -12.569 9.853 1.00 0.00 O ATOM 383 CB TRP A 449 1.196 -11.693 8.818 1.00 0.00 C ATOM 384 CG TRP A 449 -0.089 -12.100 8.163 1.00 0.00 C ATOM 385 CD1 TRP A 449 -0.707 -13.315 8.253 1.00 0.00 C ATOM 386 CD2 TRP A 449 -0.913 -11.291 7.316 1.00 0.00 C ATOM 387 NE1 TRP A 449 -1.864 -13.310 7.513 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.014 -12.080 6.929 1.00 0.00 C ATOM 389 CE3 TRP A 449 -0.829 -9.977 6.848 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -3.020 -11.597 6.097 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -1.828 -9.499 6.022 1.00 0.00 C ATOM 392 CH2 TRP A 449 -2.912 -10.307 5.653 1.00 0.00 C ATOM 0 H TRP A 449 1.219 -13.484 10.514 1.00 0.00 H new ATOM 0 HA TRP A 449 2.205 -13.339 7.876 1.00 0.00 H new ATOM 0 HB2 TRP A 449 0.992 -11.391 9.845 1.00 0.00 H new ATOM 0 HB3 TRP A 449 1.597 -10.820 8.303 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -0.340 -14.156 8.822 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -2.508 -14.095 7.414 1.00 0.00 H new ATOM 0 HE3 TRP A 449 0.002 -9.346 7.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -3.856 -12.218 5.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -1.773 -8.485 5.654 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -3.677 -9.904 5.006 1.00 0.00 H new ATOM 403 N LYS A 450 3.965 -11.250 8.085 1.00 0.00 N ATOM 404 CA LYS A 450 5.264 -10.589 8.114 1.00 0.00 C ATOM 405 C LYS A 450 5.265 -9.352 7.221 1.00 0.00 C ATOM 406 O LYS A 450 4.310 -9.105 6.484 1.00 0.00 O ATOM 407 CB LYS A 450 6.362 -11.556 7.664 1.00 0.00 C ATOM 408 CG LYS A 450 6.870 -12.458 8.776 1.00 0.00 C ATOM 409 CD LYS A 450 8.290 -12.928 8.507 1.00 0.00 C ATOM 410 CE LYS A 450 8.310 -14.157 7.610 1.00 0.00 C ATOM 411 NZ LYS A 450 8.077 -15.410 8.380 1.00 0.00 N ATOM 0 H LYS A 450 3.344 -10.927 7.343 1.00 0.00 H new ATOM 0 HA LYS A 450 5.461 -10.276 9.139 1.00 0.00 H new ATOM 0 HB2 LYS A 450 5.980 -12.174 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 450 7.197 -10.983 7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 450 6.837 -11.922 9.725 1.00 0.00 H new ATOM 0 HG3 LYS A 450 6.212 -13.322 8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 450 8.858 -12.124 8.038 1.00 0.00 H new ATOM 0 HD3 LYS A 450 8.784 -13.157 9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 450 7.545 -14.057 6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 450 9.271 -14.218 7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 8.098 -16.224 7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 8.821 -15.519 9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 7.149 -15.363 8.847 1.00 0.00 H new ATOM 425 N THR A 451 6.343 -8.577 7.292 1.00 0.00 N ATOM 426 CA THR A 451 6.468 -7.366 6.490 1.00 0.00 C ATOM 427 C THR A 451 6.173 -7.647 5.021 1.00 0.00 C ATOM 428 O THR A 451 5.291 -7.027 4.426 1.00 0.00 O ATOM 429 CB THR A 451 7.876 -6.755 6.611 1.00 0.00 C ATOM 430 OG1 THR A 451 8.214 -6.572 7.991 1.00 0.00 O ATOM 431 CG2 THR A 451 7.952 -5.421 5.884 1.00 0.00 C ATOM 0 H THR A 451 7.142 -8.767 7.897 1.00 0.00 H new ATOM 0 HA THR A 451 5.737 -6.655 6.875 1.00 0.00 H new ATOM 0 HB THR A 451 8.586 -7.442 6.151 1.00 0.00 H new ATOM 0 HG1 THR A 451 9.111 -6.184 8.059 1.00 0.00 H new ATOM 0 HG21 THR A 451 8.956 -5.009 5.984 1.00 0.00 H new ATOM 0 HG22 THR A 451 7.723 -5.568 4.828 1.00 0.00 H new ATOM 0 HG23 THR A 451 7.231 -4.728 6.318 1.00 0.00 H new ATOM 439 N SER A 452 6.914 -8.585 4.442 1.00 0.00 N ATOM 440 CA SER A 452 6.734 -8.946 3.040 1.00 0.00 C ATOM 441 C SER A 452 5.259 -9.173 2.724 1.00 0.00 C ATOM 442 O SER A 452 4.804 -8.911 1.610 1.00 0.00 O ATOM 443 CB SER A 452 7.538 -10.204 2.708 1.00 0.00 C ATOM 444 OG SER A 452 8.890 -9.886 2.429 1.00 0.00 O ATOM 0 H SER A 452 7.645 -9.110 4.922 1.00 0.00 H new ATOM 0 HA SER A 452 7.097 -8.120 2.428 1.00 0.00 H new ATOM 0 HB2 SER A 452 7.490 -10.901 3.545 1.00 0.00 H new ATOM 0 HB3 SER A 452 7.094 -10.707 1.848 1.00 0.00 H new ATOM 0 HG SER A 452 9.383 -10.707 2.222 1.00 0.00 H new ATOM 450 N ASP A 453 4.517 -9.662 3.711 1.00 0.00 N ATOM 451 CA ASP A 453 3.092 -9.924 3.540 1.00 0.00 C ATOM 452 C ASP A 453 2.306 -8.619 3.457 1.00 0.00 C ATOM 453 O ASP A 453 1.398 -8.481 2.636 1.00 0.00 O ATOM 454 CB ASP A 453 2.567 -10.778 4.695 1.00 0.00 C ATOM 455 CG ASP A 453 1.204 -11.374 4.400 1.00 0.00 C ATOM 456 OD1 ASP A 453 0.483 -10.815 3.548 1.00 0.00 O ATOM 457 OD2 ASP A 453 0.860 -12.401 5.021 1.00 0.00 O ATOM 0 H ASP A 453 4.878 -9.885 4.638 1.00 0.00 H new ATOM 0 HA ASP A 453 2.957 -10.468 2.605 1.00 0.00 H new ATOM 0 HB2 ASP A 453 3.275 -11.581 4.901 1.00 0.00 H new ATOM 0 HB3 ASP A 453 2.506 -10.168 5.596 1.00 0.00 H new ATOM 462 N LEU A 454 2.660 -7.666 4.311 1.00 0.00 N ATOM 463 CA LEU A 454 1.986 -6.372 4.336 1.00 0.00 C ATOM 464 C LEU A 454 2.244 -5.599 3.046 1.00 0.00 C ATOM 465 O LEU A 454 1.309 -5.199 2.352 1.00 0.00 O ATOM 466 CB LEU A 454 2.458 -5.552 5.538 1.00 0.00 C ATOM 467 CG LEU A 454 1.716 -5.798 6.852 1.00 0.00 C ATOM 468 CD1 LEU A 454 0.226 -5.550 6.678 1.00 0.00 C ATOM 469 CD2 LEU A 454 1.968 -7.214 7.349 1.00 0.00 C ATOM 0 H LEU A 454 3.410 -7.764 4.996 1.00 0.00 H new ATOM 0 HA LEU A 454 0.914 -6.550 4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 454 3.517 -5.756 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 454 2.371 -4.495 5.288 1.00 0.00 H new ATOM 0 HG LEU A 454 2.095 -5.099 7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -0.286 -5.730 7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 454 0.063 -4.518 6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -0.169 -6.224 5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 454 1.432 -7.372 8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 454 1.616 -7.929 6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 454 3.036 -7.357 7.513 1.00 0.00 H new ATOM 481 N TYR A 455 3.518 -5.395 2.729 1.00 0.00 N ATOM 482 CA TYR A 455 3.900 -4.671 1.523 1.00 0.00 C ATOM 483 C TYR A 455 3.302 -5.327 0.282 1.00 0.00 C ATOM 484 O TYR A 455 2.700 -4.658 -0.558 1.00 0.00 O ATOM 485 CB TYR A 455 5.423 -4.611 1.398 1.00 0.00 C ATOM 486 CG TYR A 455 6.039 -3.405 2.071 1.00 0.00 C ATOM 487 CD1 TYR A 455 5.535 -2.129 1.848 1.00 0.00 C ATOM 488 CD2 TYR A 455 7.124 -3.541 2.928 1.00 0.00 C ATOM 489 CE1 TYR A 455 6.095 -1.024 2.459 1.00 0.00 C ATOM 490 CE2 TYR A 455 7.689 -2.442 3.544 1.00 0.00 C ATOM 491 CZ TYR A 455 7.171 -1.185 3.307 1.00 0.00 C ATOM 492 OH TYR A 455 7.732 -0.088 3.918 1.00 0.00 O ATOM 0 H TYR A 455 4.304 -5.721 3.291 1.00 0.00 H new ATOM 0 HA TYR A 455 3.509 -3.656 1.600 1.00 0.00 H new ATOM 0 HB2 TYR A 455 5.851 -5.516 1.830 1.00 0.00 H new ATOM 0 HB3 TYR A 455 5.692 -4.604 0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 455 4.692 -1.999 1.186 1.00 0.00 H new ATOM 0 HD2 TYR A 455 7.532 -4.523 3.116 1.00 0.00 H new ATOM 0 HE1 TYR A 455 5.692 -0.039 2.274 1.00 0.00 H new ATOM 0 HE2 TYR A 455 8.532 -2.565 4.208 1.00 0.00 H new ATOM 0 HH TYR A 455 7.176 0.701 3.748 1.00 0.00 H new ATOM 502 N GLN A 456 3.473 -6.641 0.174 1.00 0.00 N ATOM 503 CA GLN A 456 2.951 -7.388 -0.963 1.00 0.00 C ATOM 504 C GLN A 456 1.456 -7.140 -1.138 1.00 0.00 C ATOM 505 O GLN A 456 1.009 -6.703 -2.200 1.00 0.00 O ATOM 506 CB GLN A 456 3.214 -8.884 -0.782 1.00 0.00 C ATOM 507 CG GLN A 456 4.646 -9.292 -1.087 1.00 0.00 C ATOM 508 CD GLN A 456 4.922 -9.383 -2.575 1.00 0.00 C ATOM 509 OE1 GLN A 456 4.621 -10.391 -3.214 1.00 0.00 O ATOM 510 NE2 GLN A 456 5.499 -8.326 -3.136 1.00 0.00 N ATOM 0 H GLN A 456 3.969 -7.210 0.860 1.00 0.00 H new ATOM 0 HA GLN A 456 3.465 -7.042 -1.859 1.00 0.00 H new ATOM 0 HB2 GLN A 456 2.976 -9.165 0.244 1.00 0.00 H new ATOM 0 HB3 GLN A 456 2.540 -9.444 -1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 456 5.329 -8.571 -0.638 1.00 0.00 H new ATOM 0 HG3 GLN A 456 4.852 -10.257 -0.623 1.00 0.00 H new ATOM 0 HE21 GLN A 456 5.732 -7.511 -2.569 1.00 0.00 H new ATOM 0 HE22 GLN A 456 5.709 -8.330 -4.134 1.00 0.00 H new ATOM 519 N LEU A 457 0.689 -7.422 -0.092 1.00 0.00 N ATOM 520 CA LEU A 457 -0.757 -7.229 -0.129 1.00 0.00 C ATOM 521 C LEU A 457 -1.106 -5.803 -0.543 1.00 0.00 C ATOM 522 O LEU A 457 -1.811 -5.587 -1.529 1.00 0.00 O ATOM 523 CB LEU A 457 -1.368 -7.539 1.238 1.00 0.00 C ATOM 524 CG LEU A 457 -2.893 -7.469 1.323 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.510 -8.814 0.969 1.00 0.00 C ATOM 526 CD2 LEU A 457 -3.331 -7.030 2.713 1.00 0.00 C ATOM 0 H LEU A 457 1.043 -7.785 0.793 1.00 0.00 H new ATOM 0 HA LEU A 457 -1.171 -7.914 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -1.053 -8.539 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -0.951 -6.843 1.966 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.244 -6.730 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -4.596 -8.745 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.225 -9.089 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.152 -9.573 1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -4.419 -6.986 2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.968 -7.745 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -2.919 -6.044 2.930 1.00 0.00 H new ATOM 538 N PHE A 458 -0.606 -4.833 0.215 1.00 0.00 N ATOM 539 CA PHE A 458 -0.864 -3.427 -0.074 1.00 0.00 C ATOM 540 C PHE A 458 -0.114 -2.983 -1.327 1.00 0.00 C ATOM 541 O PHE A 458 -0.323 -1.879 -1.830 1.00 0.00 O ATOM 542 CB PHE A 458 -0.453 -2.557 1.115 1.00 0.00 C ATOM 543 CG PHE A 458 -1.524 -2.425 2.159 1.00 0.00 C ATOM 544 CD1 PHE A 458 -2.568 -1.529 1.991 1.00 0.00 C ATOM 545 CD2 PHE A 458 -1.487 -3.196 3.310 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.555 -1.405 2.950 1.00 0.00 C ATOM 547 CE2 PHE A 458 -2.472 -3.077 4.272 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.507 -2.180 4.093 1.00 0.00 C ATOM 0 H PHE A 458 -0.020 -4.995 1.034 1.00 0.00 H new ATOM 0 HA PHE A 458 -1.933 -3.308 -0.250 1.00 0.00 H new ATOM 0 HB2 PHE A 458 0.440 -2.981 1.574 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -0.185 -1.564 0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -2.611 -0.920 1.100 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -0.679 -3.898 3.457 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -4.363 -0.703 2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -2.433 -3.685 5.164 1.00 0.00 H new ATOM 0 HZ PHE A 458 -4.277 -2.085 4.844 1.00 0.00 H new ATOM 558 N SER A 459 0.760 -3.852 -1.826 1.00 0.00 N ATOM 559 CA SER A 459 1.544 -3.549 -3.017 1.00 0.00 C ATOM 560 C SER A 459 0.661 -2.962 -4.114 1.00 0.00 C ATOM 561 O SER A 459 1.108 -2.137 -4.910 1.00 0.00 O ATOM 562 CB SER A 459 2.242 -4.810 -3.528 1.00 0.00 C ATOM 563 OG SER A 459 3.259 -4.488 -4.461 1.00 0.00 O ATOM 0 H SER A 459 0.943 -4.771 -1.424 1.00 0.00 H new ATOM 0 HA SER A 459 2.298 -2.809 -2.747 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.674 -5.356 -2.689 1.00 0.00 H new ATOM 0 HB3 SER A 459 1.511 -5.470 -3.995 1.00 0.00 H new ATOM 0 HG SER A 459 3.691 -5.311 -4.771 1.00 0.00 H new ATOM 569 N ALA A 460 -0.595 -3.395 -4.149 1.00 0.00 N ATOM 570 CA ALA A 460 -1.542 -2.912 -5.146 1.00 0.00 C ATOM 571 C ALA A 460 -1.388 -1.411 -5.368 1.00 0.00 C ATOM 572 O ALA A 460 -1.350 -0.942 -6.505 1.00 0.00 O ATOM 573 CB ALA A 460 -2.966 -3.242 -4.724 1.00 0.00 C ATOM 0 H ALA A 460 -0.980 -4.079 -3.498 1.00 0.00 H new ATOM 0 HA ALA A 460 -1.328 -3.416 -6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -3.663 -2.876 -5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.075 -4.322 -4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -3.182 -2.765 -3.768 1.00 0.00 H new ATOM 579 N PHE A 461 -1.301 -0.662 -4.273 1.00 0.00 N ATOM 580 CA PHE A 461 -1.153 0.787 -4.349 1.00 0.00 C ATOM 581 C PHE A 461 0.292 1.171 -4.652 1.00 0.00 C ATOM 582 O PHE A 461 0.564 1.915 -5.593 1.00 0.00 O ATOM 583 CB PHE A 461 -1.601 1.435 -3.037 1.00 0.00 C ATOM 584 CG PHE A 461 -2.954 0.976 -2.573 1.00 0.00 C ATOM 585 CD1 PHE A 461 -3.085 -0.172 -1.808 1.00 0.00 C ATOM 586 CD2 PHE A 461 -4.093 1.693 -2.900 1.00 0.00 C ATOM 587 CE1 PHE A 461 -4.329 -0.597 -1.380 1.00 0.00 C ATOM 588 CE2 PHE A 461 -5.339 1.273 -2.474 1.00 0.00 C ATOM 589 CZ PHE A 461 -5.457 0.127 -1.712 1.00 0.00 C ATOM 0 H PHE A 461 -1.330 -1.034 -3.324 1.00 0.00 H new ATOM 0 HA PHE A 461 -1.784 1.150 -5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -0.866 1.215 -2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -1.617 2.518 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -2.206 -0.741 -1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.007 2.590 -3.495 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -4.419 -1.495 -0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -6.220 1.840 -2.737 1.00 0.00 H new ATOM 0 HZ PHE A 461 -6.429 -0.202 -1.377 1.00 0.00 H new ATOM 599 N GLY A 462 1.216 0.658 -3.845 1.00 0.00 N ATOM 600 CA GLY A 462 2.622 0.958 -4.042 1.00 0.00 C ATOM 601 C GLY A 462 3.344 1.237 -2.738 1.00 0.00 C ATOM 602 O GLY A 462 2.921 0.779 -1.678 1.00 0.00 O ATOM 0 H GLY A 462 1.016 0.040 -3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 462 3.102 0.120 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 462 2.717 1.823 -4.699 1.00 0.00 H new ATOM 606 N ASN A 463 4.437 1.988 -2.818 1.00 0.00 N ATOM 607 CA ASN A 463 5.220 2.325 -1.635 1.00 0.00 C ATOM 608 C ASN A 463 4.322 2.850 -0.519 1.00 0.00 C ATOM 609 O ASN A 463 3.572 3.808 -0.710 1.00 0.00 O ATOM 610 CB ASN A 463 6.284 3.369 -1.982 1.00 0.00 C ATOM 611 CG ASN A 463 7.092 2.986 -3.207 1.00 0.00 C ATOM 612 OD1 ASN A 463 6.831 3.464 -4.311 1.00 0.00 O ATOM 613 ND2 ASN A 463 8.079 2.119 -3.016 1.00 0.00 N ATOM 0 H ASN A 463 4.801 2.375 -3.689 1.00 0.00 H new ATOM 0 HA ASN A 463 5.711 1.417 -1.285 1.00 0.00 H new ATOM 0 HB2 ASN A 463 5.802 4.331 -2.154 1.00 0.00 H new ATOM 0 HB3 ASN A 463 6.955 3.496 -1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 463 8.657 1.823 -3.802 1.00 0.00 H new ATOM 0 HD22 ASN A 463 8.259 1.749 -2.083 1.00 0.00 H new ATOM 620 N ILE A 464 4.404 2.216 0.646 1.00 0.00 N ATOM 621 CA ILE A 464 3.600 2.620 1.793 1.00 0.00 C ATOM 622 C ILE A 464 4.415 2.570 3.081 1.00 0.00 C ATOM 623 O ILE A 464 5.575 2.160 3.076 1.00 0.00 O ATOM 624 CB ILE A 464 2.356 1.727 1.951 1.00 0.00 C ATOM 625 CG1 ILE A 464 2.766 0.314 2.371 1.00 0.00 C ATOM 626 CG2 ILE A 464 1.561 1.691 0.654 1.00 0.00 C ATOM 627 CD1 ILE A 464 1.633 -0.492 2.967 1.00 0.00 C ATOM 0 H ILE A 464 5.019 1.421 0.820 1.00 0.00 H new ATOM 0 HA ILE A 464 3.280 3.645 1.608 1.00 0.00 H new ATOM 0 HB ILE A 464 1.721 2.148 2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 464 3.160 -0.215 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.576 0.380 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 464 0.685 1.056 0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 464 1.242 2.701 0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 464 2.186 1.291 -0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 464 1.996 -1.482 3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 464 1.254 0.014 3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 464 0.831 -0.590 2.235 1.00 0.00 H new ATOM 639 N GLN A 465 3.798 2.988 4.182 1.00 0.00 N ATOM 640 CA GLN A 465 4.467 2.989 5.478 1.00 0.00 C ATOM 641 C GLN A 465 3.789 2.020 6.441 1.00 0.00 C ATOM 642 O GLN A 465 2.688 2.280 6.927 1.00 0.00 O ATOM 643 CB GLN A 465 4.470 4.398 6.072 1.00 0.00 C ATOM 644 CG GLN A 465 4.925 4.446 7.522 1.00 0.00 C ATOM 645 CD GLN A 465 6.407 4.163 7.678 1.00 0.00 C ATOM 646 OE1 GLN A 465 6.899 3.118 7.252 1.00 0.00 O ATOM 647 NE2 GLN A 465 7.126 5.095 8.292 1.00 0.00 N ATOM 0 H GLN A 465 2.837 3.330 4.202 1.00 0.00 H new ATOM 0 HA GLN A 465 5.496 2.663 5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 465 5.123 5.034 5.474 1.00 0.00 H new ATOM 0 HB3 GLN A 465 3.466 4.815 6.001 1.00 0.00 H new ATOM 0 HG2 GLN A 465 4.701 5.429 7.937 1.00 0.00 H new ATOM 0 HG3 GLN A 465 4.357 3.718 8.101 1.00 0.00 H new ATOM 0 HE21 GLN A 465 6.676 5.946 8.629 1.00 0.00 H new ATOM 0 HE22 GLN A 465 8.128 4.960 8.427 1.00 0.00 H new ATOM 656 N ILE A 466 4.454 0.901 6.712 1.00 0.00 N ATOM 657 CA ILE A 466 3.916 -0.106 7.617 1.00 0.00 C ATOM 658 C ILE A 466 4.419 0.109 9.040 1.00 0.00 C ATOM 659 O ILE A 466 5.609 -0.040 9.318 1.00 0.00 O ATOM 660 CB ILE A 466 4.289 -1.529 7.162 1.00 0.00 C ATOM 661 CG1 ILE A 466 3.926 -1.729 5.689 1.00 0.00 C ATOM 662 CG2 ILE A 466 3.590 -2.564 8.031 1.00 0.00 C ATOM 663 CD1 ILE A 466 4.614 -2.916 5.053 1.00 0.00 C ATOM 0 H ILE A 466 5.366 0.670 6.317 1.00 0.00 H new ATOM 0 HA ILE A 466 2.831 -0.000 7.598 1.00 0.00 H new ATOM 0 HB ILE A 466 5.366 -1.659 7.272 1.00 0.00 H new ATOM 0 HG12 ILE A 466 2.847 -1.856 5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 466 4.186 -0.828 5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 466 3.864 -3.565 7.697 1.00 0.00 H new ATOM 0 HG22 ILE A 466 3.894 -2.432 9.069 1.00 0.00 H new ATOM 0 HG23 ILE A 466 2.510 -2.437 7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 466 4.310 -2.997 4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 466 5.694 -2.782 5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 466 4.334 -3.826 5.584 1.00 0.00 H new ATOM 675 N SER A 467 3.504 0.458 9.939 1.00 0.00 N ATOM 676 CA SER A 467 3.855 0.696 11.335 1.00 0.00 C ATOM 677 C SER A 467 3.562 -0.536 12.186 1.00 0.00 C ATOM 678 O SER A 467 2.414 -0.963 12.305 1.00 0.00 O ATOM 679 CB SER A 467 3.084 1.900 11.878 1.00 0.00 C ATOM 680 OG SER A 467 3.810 3.101 11.682 1.00 0.00 O ATOM 0 H SER A 467 2.514 0.582 9.726 1.00 0.00 H new ATOM 0 HA SER A 467 4.924 0.905 11.385 1.00 0.00 H new ATOM 0 HB2 SER A 467 2.117 1.971 11.381 1.00 0.00 H new ATOM 0 HB3 SER A 467 2.886 1.760 12.941 1.00 0.00 H new ATOM 0 HG SER A 467 3.295 3.856 12.036 1.00 0.00 H new ATOM 686 N TRP A 468 4.609 -1.102 12.775 1.00 0.00 N ATOM 687 CA TRP A 468 4.466 -2.286 13.615 1.00 0.00 C ATOM 688 C TRP A 468 4.111 -1.897 15.046 1.00 0.00 C ATOM 689 O TRP A 468 4.949 -1.376 15.783 1.00 0.00 O ATOM 690 CB TRP A 468 5.757 -3.106 13.602 1.00 0.00 C ATOM 691 CG TRP A 468 6.005 -3.801 12.297 1.00 0.00 C ATOM 692 CD1 TRP A 468 6.627 -3.283 11.197 1.00 0.00 C ATOM 693 CD2 TRP A 468 5.634 -5.142 11.957 1.00 0.00 C ATOM 694 NE1 TRP A 468 6.665 -4.221 10.194 1.00 0.00 N ATOM 695 CE2 TRP A 468 6.064 -5.370 10.635 1.00 0.00 C ATOM 696 CE3 TRP A 468 4.984 -6.172 12.641 1.00 0.00 C ATOM 697 CZ2 TRP A 468 5.861 -6.585 9.986 1.00 0.00 C ATOM 698 CZ3 TRP A 468 4.783 -7.377 11.995 1.00 0.00 C ATOM 699 CH2 TRP A 468 5.221 -7.576 10.679 1.00 0.00 C ATOM 0 H TRP A 468 5.566 -0.761 12.687 1.00 0.00 H new ATOM 0 HA TRP A 468 3.656 -2.892 13.210 1.00 0.00 H new ATOM 0 HB2 TRP A 468 6.599 -2.449 13.822 1.00 0.00 H new ATOM 0 HB3 TRP A 468 5.716 -3.848 14.399 1.00 0.00 H new ATOM 0 HD1 TRP A 468 7.030 -2.283 11.126 1.00 0.00 H new ATOM 0 HE1 TRP A 468 7.075 -4.084 9.270 1.00 0.00 H new ATOM 0 HE3 TRP A 468 4.645 -6.029 13.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 6.197 -6.740 8.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 4.279 -8.179 12.514 1.00 0.00 H new ATOM 0 HH2 TRP A 468 5.050 -8.530 10.203 1.00 0.00 H new ATOM 710 N ILE A 469 2.866 -2.154 15.433 1.00 0.00 N ATOM 711 CA ILE A 469 2.402 -1.831 16.777 1.00 0.00 C ATOM 712 C ILE A 469 2.609 -3.007 17.726 1.00 0.00 C ATOM 713 O ILE A 469 3.198 -2.857 18.797 1.00 0.00 O ATOM 714 CB ILE A 469 0.913 -1.439 16.780 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.613 -0.483 15.624 1.00 0.00 C ATOM 716 CG2 ILE A 469 0.534 -0.806 18.110 1.00 0.00 C ATOM 717 CD1 ILE A 469 -0.811 -0.571 15.120 1.00 0.00 C ATOM 0 H ILE A 469 2.161 -2.585 14.835 1.00 0.00 H new ATOM 0 HA ILE A 469 2.993 -0.981 17.120 1.00 0.00 H new ATOM 0 HB ILE A 469 0.315 -2.340 16.646 1.00 0.00 H new ATOM 0 HG12 ILE A 469 0.813 0.539 15.947 1.00 0.00 H new ATOM 0 HG13 ILE A 469 1.295 -0.696 14.801 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.522 -0.535 18.096 1.00 0.00 H new ATOM 0 HG22 ILE A 469 0.715 -1.517 18.916 1.00 0.00 H new ATOM 0 HG23 ILE A 469 1.136 0.088 18.272 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -0.951 0.134 14.301 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -1.010 -1.582 14.766 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -1.499 -0.328 15.930 1.00 0.00 H new ATOM 729 N ASP A 470 2.121 -4.176 17.326 1.00 0.00 N ATOM 730 CA ASP A 470 2.255 -5.379 18.139 1.00 0.00 C ATOM 731 C ASP A 470 2.451 -6.610 17.261 1.00 0.00 C ATOM 732 O ASP A 470 2.572 -6.501 16.040 1.00 0.00 O ATOM 733 CB ASP A 470 1.022 -5.560 19.026 1.00 0.00 C ATOM 734 CG ASP A 470 1.343 -6.269 20.327 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.955 -5.635 21.212 1.00 0.00 O ATOM 736 OD2 ASP A 470 0.981 -7.457 20.460 1.00 0.00 O ATOM 0 H ASP A 470 1.629 -4.316 16.444 1.00 0.00 H new ATOM 0 HA ASP A 470 3.135 -5.264 18.772 1.00 0.00 H new ATOM 0 HB2 ASP A 470 0.589 -4.584 19.245 1.00 0.00 H new ATOM 0 HB3 ASP A 470 0.267 -6.129 18.482 1.00 0.00 H new ATOM 741 N ASP A 471 2.481 -7.780 17.889 1.00 0.00 N ATOM 742 CA ASP A 471 2.663 -9.033 17.164 1.00 0.00 C ATOM 743 C ASP A 471 1.386 -9.423 16.425 1.00 0.00 C ATOM 744 O ASP A 471 1.409 -10.262 15.524 1.00 0.00 O ATOM 745 CB ASP A 471 3.071 -10.149 18.127 1.00 0.00 C ATOM 746 CG ASP A 471 4.416 -9.891 18.776 1.00 0.00 C ATOM 747 OD1 ASP A 471 5.443 -9.985 18.072 1.00 0.00 O ATOM 748 OD2 ASP A 471 4.441 -9.593 19.989 1.00 0.00 O ATOM 0 H ASP A 471 2.382 -7.888 18.898 1.00 0.00 H new ATOM 0 HA ASP A 471 3.456 -8.889 16.431 1.00 0.00 H new ATOM 0 HB2 ASP A 471 2.311 -10.252 18.902 1.00 0.00 H new ATOM 0 HB3 ASP A 471 3.107 -11.095 17.587 1.00 0.00 H new ATOM 753 N THR A 472 0.273 -8.808 16.813 1.00 0.00 N ATOM 754 CA THR A 472 -1.014 -9.092 16.189 1.00 0.00 C ATOM 755 C THR A 472 -1.743 -7.805 15.823 1.00 0.00 C ATOM 756 O THR A 472 -2.953 -7.810 15.593 1.00 0.00 O ATOM 757 CB THR A 472 -1.913 -9.934 17.115 1.00 0.00 C ATOM 758 OG1 THR A 472 -1.943 -9.357 18.425 1.00 0.00 O ATOM 759 CG2 THR A 472 -1.413 -11.368 17.197 1.00 0.00 C ATOM 0 H THR A 472 0.237 -8.110 17.556 1.00 0.00 H new ATOM 0 HA THR A 472 -0.808 -9.659 15.281 1.00 0.00 H new ATOM 0 HB THR A 472 -2.920 -9.941 16.699 1.00 0.00 H new ATOM 0 HG1 THR A 472 -2.518 -9.897 19.007 1.00 0.00 H new ATOM 0 HG21 THR A 472 -2.063 -11.943 17.856 1.00 0.00 H new ATOM 0 HG22 THR A 472 -1.420 -11.813 16.202 1.00 0.00 H new ATOM 0 HG23 THR A 472 -0.397 -11.377 17.592 1.00 0.00 H new ATOM 767 N SER A 473 -1.001 -6.704 15.770 1.00 0.00 N ATOM 768 CA SER A 473 -1.578 -5.408 15.434 1.00 0.00 C ATOM 769 C SER A 473 -0.585 -4.557 14.649 1.00 0.00 C ATOM 770 O SER A 473 0.572 -4.411 15.044 1.00 0.00 O ATOM 771 CB SER A 473 -2.005 -4.671 16.705 1.00 0.00 C ATOM 772 OG SER A 473 -0.888 -4.094 17.360 1.00 0.00 O ATOM 0 H SER A 473 0.002 -6.684 15.956 1.00 0.00 H new ATOM 0 HA SER A 473 -2.455 -5.580 14.810 1.00 0.00 H new ATOM 0 HB2 SER A 473 -2.725 -3.892 16.453 1.00 0.00 H new ATOM 0 HB3 SER A 473 -2.508 -5.364 17.379 1.00 0.00 H new ATOM 0 HG SER A 473 -1.188 -3.628 18.168 1.00 0.00 H new ATOM 778 N ALA A 474 -1.045 -3.998 13.535 1.00 0.00 N ATOM 779 CA ALA A 474 -0.198 -3.160 12.695 1.00 0.00 C ATOM 780 C ALA A 474 -0.983 -1.982 12.126 1.00 0.00 C ATOM 781 O ALA A 474 -2.200 -1.898 12.289 1.00 0.00 O ATOM 782 CB ALA A 474 0.410 -3.984 11.569 1.00 0.00 C ATOM 0 H ALA A 474 -1.999 -4.110 13.193 1.00 0.00 H new ATOM 0 HA ALA A 474 0.606 -2.763 13.315 1.00 0.00 H new ATOM 0 HB1 ALA A 474 1.040 -3.345 10.950 1.00 0.00 H new ATOM 0 HB2 ALA A 474 1.012 -4.788 11.991 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -0.386 -4.409 10.958 1.00 0.00 H new ATOM 788 N PHE A 475 -0.278 -1.075 11.459 1.00 0.00 N ATOM 789 CA PHE A 475 -0.909 0.099 10.867 1.00 0.00 C ATOM 790 C PHE A 475 -0.496 0.261 9.407 1.00 0.00 C ATOM 791 O PHE A 475 0.606 -0.124 9.016 1.00 0.00 O ATOM 792 CB PHE A 475 -0.537 1.356 11.657 1.00 0.00 C ATOM 793 CG PHE A 475 -1.503 1.678 12.761 1.00 0.00 C ATOM 794 CD1 PHE A 475 -2.870 1.634 12.539 1.00 0.00 C ATOM 795 CD2 PHE A 475 -1.044 2.024 14.022 1.00 0.00 C ATOM 796 CE1 PHE A 475 -3.761 1.929 13.553 1.00 0.00 C ATOM 797 CE2 PHE A 475 -1.930 2.319 15.040 1.00 0.00 C ATOM 798 CZ PHE A 475 -3.290 2.273 14.805 1.00 0.00 C ATOM 0 H PHE A 475 0.730 -1.130 11.315 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.989 -0.041 10.907 1.00 0.00 H new ATOM 0 HB2 PHE A 475 0.458 1.227 12.082 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -0.484 2.203 10.973 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -3.243 1.366 11.562 1.00 0.00 H new ATOM 0 HD2 PHE A 475 0.019 2.063 14.211 1.00 0.00 H new ATOM 0 HE1 PHE A 475 -4.824 1.891 13.367 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -1.559 2.585 16.019 1.00 0.00 H new ATOM 0 HZ PHE A 475 -3.984 2.506 15.599 1.00 0.00 H new ATOM 808 N VAL A 476 -1.388 0.835 8.606 1.00 0.00 N ATOM 809 CA VAL A 476 -1.117 1.049 7.190 1.00 0.00 C ATOM 810 C VAL A 476 -1.471 2.472 6.771 1.00 0.00 C ATOM 811 O VAL A 476 -2.643 2.808 6.605 1.00 0.00 O ATOM 812 CB VAL A 476 -1.904 0.058 6.312 1.00 0.00 C ATOM 813 CG1 VAL A 476 -1.768 0.423 4.841 1.00 0.00 C ATOM 814 CG2 VAL A 476 -1.430 -1.366 6.562 1.00 0.00 C ATOM 0 H VAL A 476 -2.304 1.160 8.914 1.00 0.00 H new ATOM 0 HA VAL A 476 -0.049 0.885 7.044 1.00 0.00 H new ATOM 0 HB VAL A 476 -2.959 0.119 6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -2.331 -0.288 4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -2.159 1.427 4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.717 0.392 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -1.996 -2.054 5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -0.370 -1.444 6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -1.584 -1.622 7.610 1.00 0.00 H new ATOM 824 N SER A 477 -0.448 3.304 6.603 1.00 0.00 N ATOM 825 CA SER A 477 -0.651 4.693 6.207 1.00 0.00 C ATOM 826 C SER A 477 -0.443 4.866 4.705 1.00 0.00 C ATOM 827 O SER A 477 0.575 4.443 4.155 1.00 0.00 O ATOM 828 CB SER A 477 0.305 5.609 6.974 1.00 0.00 C ATOM 829 OG SER A 477 0.233 5.368 8.369 1.00 0.00 O ATOM 0 H SER A 477 0.529 3.041 6.735 1.00 0.00 H new ATOM 0 HA SER A 477 -1.678 4.967 6.448 1.00 0.00 H new ATOM 0 HB2 SER A 477 1.325 5.448 6.626 1.00 0.00 H new ATOM 0 HB3 SER A 477 0.059 6.651 6.769 1.00 0.00 H new ATOM 0 HG SER A 477 0.854 5.964 8.837 1.00 0.00 H new ATOM 835 N LEU A 478 -1.414 5.490 4.048 1.00 0.00 N ATOM 836 CA LEU A 478 -1.339 5.720 2.610 1.00 0.00 C ATOM 837 C LEU A 478 -0.957 7.166 2.308 1.00 0.00 C ATOM 838 O LEU A 478 -0.827 7.986 3.217 1.00 0.00 O ATOM 839 CB LEU A 478 -2.678 5.386 1.950 1.00 0.00 C ATOM 840 CG LEU A 478 -3.149 3.937 2.082 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.619 3.818 1.712 1.00 0.00 C ATOM 842 CD2 LEU A 478 -2.302 3.019 1.213 1.00 0.00 C ATOM 0 H LEU A 478 -2.263 5.846 4.488 1.00 0.00 H new ATOM 0 HA LEU A 478 -0.567 5.067 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -3.442 6.036 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -2.608 5.629 0.890 1.00 0.00 H new ATOM 0 HG LEU A 478 -3.031 3.630 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.936 2.780 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -5.213 4.445 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.762 4.144 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -2.652 1.992 1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -2.387 3.325 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -1.260 3.082 1.526 1.00 0.00 H new ATOM 854 N SER A 479 -0.782 7.471 1.027 1.00 0.00 N ATOM 855 CA SER A 479 -0.413 8.818 0.605 1.00 0.00 C ATOM 856 C SER A 479 -1.624 9.745 0.629 1.00 0.00 C ATOM 857 O SER A 479 -1.540 10.881 1.095 1.00 0.00 O ATOM 858 CB SER A 479 0.192 8.787 -0.799 1.00 0.00 C ATOM 859 OG SER A 479 0.854 10.005 -1.096 1.00 0.00 O ATOM 0 H SER A 479 -0.890 6.804 0.263 1.00 0.00 H new ATOM 0 HA SER A 479 0.330 9.201 1.305 1.00 0.00 H new ATOM 0 HB2 SER A 479 0.896 7.958 -0.877 1.00 0.00 H new ATOM 0 HB3 SER A 479 -0.594 8.608 -1.533 1.00 0.00 H new ATOM 0 HG SER A 479 1.234 9.959 -1.998 1.00 0.00 H new ATOM 865 N GLN A 480 -2.750 9.251 0.124 1.00 0.00 N ATOM 866 CA GLN A 480 -3.979 10.035 0.086 1.00 0.00 C ATOM 867 C GLN A 480 -5.132 9.271 0.729 1.00 0.00 C ATOM 868 O GLN A 480 -5.132 8.042 0.797 1.00 0.00 O ATOM 869 CB GLN A 480 -4.333 10.398 -1.357 1.00 0.00 C ATOM 870 CG GLN A 480 -3.466 11.504 -1.936 1.00 0.00 C ATOM 871 CD GLN A 480 -3.459 11.507 -3.452 1.00 0.00 C ATOM 872 OE1 GLN A 480 -4.320 12.116 -4.088 1.00 0.00 O ATOM 873 NE2 GLN A 480 -2.485 10.823 -4.041 1.00 0.00 N ATOM 0 H GLN A 480 -2.837 8.312 -0.264 1.00 0.00 H new ATOM 0 HA GLN A 480 -3.814 10.951 0.653 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -4.238 9.509 -1.980 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -5.378 10.707 -1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -3.825 12.468 -1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -2.445 11.388 -1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -1.792 10.333 -3.476 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -2.430 10.788 -5.059 1.00 0.00 H new ATOM 882 N PRO A 481 -6.138 10.014 1.212 1.00 0.00 N ATOM 883 CA PRO A 481 -7.316 9.428 1.857 1.00 0.00 C ATOM 884 C PRO A 481 -8.209 8.685 0.869 1.00 0.00 C ATOM 885 O PRO A 481 -8.663 7.575 1.143 1.00 0.00 O ATOM 886 CB PRO A 481 -8.049 10.643 2.431 1.00 0.00 C ATOM 887 CG PRO A 481 -7.620 11.783 1.573 1.00 0.00 C ATOM 888 CD PRO A 481 -6.204 11.485 1.165 1.00 0.00 C ATOM 0 HA PRO A 481 -7.042 8.685 2.606 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -9.130 10.506 2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -7.782 10.810 3.474 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -8.266 11.879 0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -7.679 12.725 2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -5.985 11.865 0.167 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -5.485 11.942 1.845 1.00 0.00 H new ATOM 896 N GLU A 482 -8.457 9.306 -0.280 1.00 0.00 N ATOM 897 CA GLU A 482 -9.296 8.702 -1.308 1.00 0.00 C ATOM 898 C GLU A 482 -9.133 7.185 -1.322 1.00 0.00 C ATOM 899 O GLU A 482 -10.114 6.445 -1.241 1.00 0.00 O ATOM 900 CB GLU A 482 -8.948 9.275 -2.684 1.00 0.00 C ATOM 901 CG GLU A 482 -7.460 9.504 -2.889 1.00 0.00 C ATOM 902 CD GLU A 482 -6.764 8.302 -3.496 1.00 0.00 C ATOM 903 OE1 GLU A 482 -7.389 7.610 -4.327 1.00 0.00 O ATOM 904 OE2 GLU A 482 -5.592 8.053 -3.141 1.00 0.00 O ATOM 0 H GLU A 482 -8.089 10.226 -0.522 1.00 0.00 H new ATOM 0 HA GLU A 482 -10.335 8.937 -1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -9.312 8.595 -3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -9.474 10.220 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -7.315 10.369 -3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -6.997 9.742 -1.931 1.00 0.00 H new ATOM 911 N GLN A 483 -7.889 6.730 -1.424 1.00 0.00 N ATOM 912 CA GLN A 483 -7.598 5.301 -1.450 1.00 0.00 C ATOM 913 C GLN A 483 -8.378 4.567 -0.364 1.00 0.00 C ATOM 914 O GLN A 483 -9.012 3.545 -0.623 1.00 0.00 O ATOM 915 CB GLN A 483 -6.098 5.061 -1.268 1.00 0.00 C ATOM 916 CG GLN A 483 -5.312 5.111 -2.568 1.00 0.00 C ATOM 917 CD GLN A 483 -3.884 5.580 -2.369 1.00 0.00 C ATOM 918 OE1 GLN A 483 -3.099 4.796 -1.641 1.00 0.00 O flip ATOM 919 NE2 GLN A 483 -3.491 6.637 -2.865 1.00 0.00 N flip ATOM 0 H GLN A 483 -7.066 7.329 -1.490 1.00 0.00 H new ATOM 0 HA GLN A 483 -7.906 4.911 -2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.699 5.809 -0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.948 4.088 -0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -5.305 4.120 -3.022 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -5.816 5.779 -3.267 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -4.129 7.209 -3.418 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -2.528 6.940 -2.723 1.00 0.00 H new ATOM 928 N VAL A 484 -8.326 5.096 0.855 1.00 0.00 N ATOM 929 CA VAL A 484 -9.028 4.492 1.981 1.00 0.00 C ATOM 930 C VAL A 484 -10.348 3.872 1.537 1.00 0.00 C ATOM 931 O VAL A 484 -10.611 2.698 1.796 1.00 0.00 O ATOM 932 CB VAL A 484 -9.306 5.525 3.089 1.00 0.00 C ATOM 933 CG1 VAL A 484 -10.081 4.888 4.232 1.00 0.00 C ATOM 934 CG2 VAL A 484 -8.004 6.132 3.590 1.00 0.00 C ATOM 0 H VAL A 484 -7.805 5.942 1.087 1.00 0.00 H new ATOM 0 HA VAL A 484 -8.378 3.712 2.377 1.00 0.00 H new ATOM 0 HB VAL A 484 -9.916 6.325 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 484 -10.268 5.634 5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 484 -11.031 4.506 3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 484 -9.500 4.067 4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -8.219 6.860 4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -7.366 5.345 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -7.492 6.627 2.765 1.00 0.00 H new ATOM 944 N GLN A 485 -11.174 4.668 0.866 1.00 0.00 N ATOM 945 CA GLN A 485 -12.467 4.197 0.386 1.00 0.00 C ATOM 946 C GLN A 485 -12.326 2.861 -0.336 1.00 0.00 C ATOM 947 O GLN A 485 -13.072 1.918 -0.069 1.00 0.00 O ATOM 948 CB GLN A 485 -13.096 5.231 -0.549 1.00 0.00 C ATOM 949 CG GLN A 485 -13.835 6.342 0.180 1.00 0.00 C ATOM 950 CD GLN A 485 -14.883 5.813 1.139 1.00 0.00 C ATOM 951 OE1 GLN A 485 -14.472 5.533 2.371 1.00 0.00 O flip ATOM 952 NE2 GLN A 485 -16.050 5.657 0.778 1.00 0.00 N flip ATOM 0 H GLN A 485 -10.971 5.642 0.643 1.00 0.00 H new ATOM 0 HA GLN A 485 -13.117 4.056 1.250 1.00 0.00 H new ATOM 0 HB2 GLN A 485 -12.314 5.671 -1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 485 -13.789 4.726 -1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 485 -13.117 6.950 0.731 1.00 0.00 H new ATOM 0 HG3 GLN A 485 -14.313 6.996 -0.550 1.00 0.00 H new ATOM 0 HE21 GLN A 485 -16.323 5.885 -0.178 1.00 0.00 H new ATOM 0 HE22 GLN A 485 -16.744 5.300 1.435 1.00 0.00 H new ATOM 961 N ILE A 486 -11.365 2.787 -1.251 1.00 0.00 N ATOM 962 CA ILE A 486 -11.126 1.566 -2.010 1.00 0.00 C ATOM 963 C ILE A 486 -10.667 0.433 -1.099 1.00 0.00 C ATOM 964 O ILE A 486 -11.318 -0.607 -1.009 1.00 0.00 O ATOM 965 CB ILE A 486 -10.071 1.785 -3.111 1.00 0.00 C ATOM 966 CG1 ILE A 486 -10.679 2.557 -4.284 1.00 0.00 C ATOM 967 CG2 ILE A 486 -9.511 0.451 -3.581 1.00 0.00 C ATOM 968 CD1 ILE A 486 -10.540 4.058 -4.156 1.00 0.00 C ATOM 0 H ILE A 486 -10.740 3.558 -1.484 1.00 0.00 H new ATOM 0 HA ILE A 486 -12.073 1.293 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 486 -9.253 2.375 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -10.201 2.233 -5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -11.736 2.304 -4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -8.767 0.623 -4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -9.046 -0.064 -2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -10.319 -0.162 -3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -10.993 4.541 -5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -11.043 4.394 -3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -9.484 4.323 -4.104 1.00 0.00 H new ATOM 980 N ALA A 487 -9.541 0.643 -0.425 1.00 0.00 N ATOM 981 CA ALA A 487 -8.996 -0.359 0.483 1.00 0.00 C ATOM 982 C ALA A 487 -10.095 -0.980 1.338 1.00 0.00 C ATOM 983 O ALA A 487 -10.190 -2.202 1.453 1.00 0.00 O ATOM 984 CB ALA A 487 -7.922 0.258 1.366 1.00 0.00 C ATOM 0 H ALA A 487 -8.988 1.498 -0.491 1.00 0.00 H new ATOM 0 HA ALA A 487 -8.547 -1.151 -0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -7.524 -0.501 2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -7.118 0.648 0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -8.354 1.070 1.951 1.00 0.00 H new ATOM 990 N VAL A 488 -10.923 -0.131 1.939 1.00 0.00 N ATOM 991 CA VAL A 488 -12.016 -0.597 2.784 1.00 0.00 C ATOM 992 C VAL A 488 -13.041 -1.382 1.973 1.00 0.00 C ATOM 993 O VAL A 488 -13.514 -2.433 2.403 1.00 0.00 O ATOM 994 CB VAL A 488 -12.723 0.578 3.486 1.00 0.00 C ATOM 995 CG1 VAL A 488 -13.852 0.071 4.370 1.00 0.00 C ATOM 996 CG2 VAL A 488 -11.725 1.392 4.296 1.00 0.00 C ATOM 0 H VAL A 488 -10.857 0.884 1.856 1.00 0.00 H new ATOM 0 HA VAL A 488 -11.577 -1.250 3.538 1.00 0.00 H new ATOM 0 HB VAL A 488 -13.154 1.228 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 488 -14.340 0.915 4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 488 -14.579 -0.465 3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 488 -13.448 -0.601 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 488 -12.241 2.218 4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 488 -11.263 0.755 5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 488 -10.955 1.787 3.634 1.00 0.00 H new ATOM 1006 N ASN A 489 -13.380 -0.863 0.797 1.00 0.00 N ATOM 1007 CA ASN A 489 -14.350 -1.516 -0.075 1.00 0.00 C ATOM 1008 C ASN A 489 -13.952 -2.964 -0.344 1.00 0.00 C ATOM 1009 O ASN A 489 -14.789 -3.866 -0.311 1.00 0.00 O ATOM 1010 CB ASN A 489 -14.472 -0.755 -1.396 1.00 0.00 C ATOM 1011 CG ASN A 489 -15.002 0.654 -1.206 1.00 0.00 C ATOM 1012 OD1 ASN A 489 -14.567 1.570 -2.063 1.00 0.00 O flip ATOM 1013 ND2 ASN A 489 -15.792 0.914 -0.299 1.00 0.00 N flip ATOM 0 H ASN A 489 -12.998 0.007 0.426 1.00 0.00 H new ATOM 0 HA ASN A 489 -15.316 -1.512 0.430 1.00 0.00 H new ATOM 0 HB2 ASN A 489 -13.495 -0.711 -1.878 1.00 0.00 H new ATOM 0 HB3 ASN A 489 -15.134 -1.302 -2.067 1.00 0.00 H new ATOM 0 HD21 ASN A 489 -16.099 0.178 0.336 1.00 0.00 H new ATOM 0 HD22 ASN A 489 -16.140 1.866 -0.183 1.00 0.00 H new ATOM 1020 N THR A 490 -12.667 -3.179 -0.609 1.00 0.00 N ATOM 1021 CA THR A 490 -12.158 -4.517 -0.885 1.00 0.00 C ATOM 1022 C THR A 490 -12.047 -5.337 0.395 1.00 0.00 C ATOM 1023 O THR A 490 -12.299 -6.542 0.396 1.00 0.00 O ATOM 1024 CB THR A 490 -10.778 -4.462 -1.568 1.00 0.00 C ATOM 1025 OG1 THR A 490 -9.820 -3.859 -0.690 1.00 0.00 O ATOM 1026 CG2 THR A 490 -10.848 -3.676 -2.868 1.00 0.00 C ATOM 0 H THR A 490 -11.960 -2.444 -0.638 1.00 0.00 H new ATOM 0 HA THR A 490 -12.870 -4.995 -1.558 1.00 0.00 H new ATOM 0 HB THR A 490 -10.469 -5.482 -1.796 1.00 0.00 H new ATOM 0 HG1 THR A 490 -10.279 -3.253 -0.071 1.00 0.00 H new ATOM 0 HG21 THR A 490 -9.862 -3.651 -3.332 1.00 0.00 H new ATOM 0 HG22 THR A 490 -11.555 -4.155 -3.545 1.00 0.00 H new ATOM 0 HG23 THR A 490 -11.177 -2.658 -2.660 1.00 0.00 H new ATOM 1034 N SER A 491 -11.668 -4.676 1.485 1.00 0.00 N ATOM 1035 CA SER A 491 -11.520 -5.346 2.772 1.00 0.00 C ATOM 1036 C SER A 491 -12.841 -5.967 3.216 1.00 0.00 C ATOM 1037 O SER A 491 -12.864 -7.024 3.846 1.00 0.00 O ATOM 1038 CB SER A 491 -11.027 -4.358 3.831 1.00 0.00 C ATOM 1039 OG SER A 491 -12.054 -3.457 4.206 1.00 0.00 O ATOM 0 H SER A 491 -11.458 -3.678 1.502 1.00 0.00 H new ATOM 0 HA SER A 491 -10.784 -6.142 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 491 -10.680 -4.904 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 491 -10.174 -3.801 3.444 1.00 0.00 H new ATOM 0 HG SER A 491 -12.587 -3.222 3.418 1.00 0.00 H new ATOM 1045 N LYS A 492 -13.942 -5.301 2.883 1.00 0.00 N ATOM 1046 CA LYS A 492 -15.269 -5.786 3.244 1.00 0.00 C ATOM 1047 C LYS A 492 -15.365 -7.297 3.060 1.00 0.00 C ATOM 1048 O LYS A 492 -15.662 -8.029 4.005 1.00 0.00 O ATOM 1049 CB LYS A 492 -16.337 -5.090 2.398 1.00 0.00 C ATOM 1050 CG LYS A 492 -16.687 -3.695 2.887 1.00 0.00 C ATOM 1051 CD LYS A 492 -17.824 -3.726 3.894 1.00 0.00 C ATOM 1052 CE LYS A 492 -17.306 -3.885 5.315 1.00 0.00 C ATOM 1053 NZ LYS A 492 -18.268 -3.352 6.319 1.00 0.00 N ATOM 0 H LYS A 492 -13.941 -4.423 2.363 1.00 0.00 H new ATOM 0 HA LYS A 492 -15.439 -5.554 4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -15.988 -5.028 1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -17.240 -5.701 2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -15.809 -3.237 3.342 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -16.968 -3.071 2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -18.404 -2.806 3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -18.499 -4.549 3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -17.117 -4.939 5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -16.353 -3.366 5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -17.878 -3.479 7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -18.429 -2.340 6.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -19.170 -3.864 6.242 1.00 0.00 H new ATOM 1067 N TYR A 493 -15.111 -7.757 1.840 1.00 0.00 N ATOM 1068 CA TYR A 493 -15.170 -9.181 1.533 1.00 0.00 C ATOM 1069 C TYR A 493 -13.948 -9.909 2.085 1.00 0.00 C ATOM 1070 O TYR A 493 -14.060 -11.002 2.639 1.00 0.00 O ATOM 1071 CB TYR A 493 -15.265 -9.395 0.021 1.00 0.00 C ATOM 1072 CG TYR A 493 -13.939 -9.265 -0.693 1.00 0.00 C ATOM 1073 CD1 TYR A 493 -13.063 -10.341 -0.774 1.00 0.00 C ATOM 1074 CD2 TYR A 493 -13.560 -8.067 -1.285 1.00 0.00 C ATOM 1075 CE1 TYR A 493 -11.850 -10.228 -1.425 1.00 0.00 C ATOM 1076 CE2 TYR A 493 -12.350 -7.944 -1.939 1.00 0.00 C ATOM 1077 CZ TYR A 493 -11.498 -9.027 -2.007 1.00 0.00 C ATOM 1078 OH TYR A 493 -10.291 -8.909 -2.656 1.00 0.00 O ATOM 0 H TYR A 493 -14.862 -7.165 1.048 1.00 0.00 H new ATOM 0 HA TYR A 493 -16.061 -9.592 2.008 1.00 0.00 H new ATOM 0 HB2 TYR A 493 -15.677 -10.386 -0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 493 -15.965 -8.672 -0.397 1.00 0.00 H new ATOM 0 HD1 TYR A 493 -13.336 -11.282 -0.320 1.00 0.00 H new ATOM 0 HD2 TYR A 493 -14.224 -7.216 -1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 493 -11.181 -11.074 -1.478 1.00 0.00 H new ATOM 0 HE2 TYR A 493 -12.072 -7.005 -2.395 1.00 0.00 H new ATOM 0 HH TYR A 493 -10.198 -8.000 -3.010 1.00 0.00 H new ATOM 1088 N ALA A 494 -12.781 -9.293 1.930 1.00 0.00 N ATOM 1089 CA ALA A 494 -11.537 -9.879 2.414 1.00 0.00 C ATOM 1090 C ALA A 494 -11.719 -10.484 3.802 1.00 0.00 C ATOM 1091 O ALA A 494 -12.053 -9.781 4.756 1.00 0.00 O ATOM 1092 CB ALA A 494 -10.433 -8.832 2.433 1.00 0.00 C ATOM 0 H ALA A 494 -12.671 -8.388 1.473 1.00 0.00 H new ATOM 0 HA ALA A 494 -11.252 -10.680 1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -9.510 -9.283 2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -10.277 -8.449 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -10.720 -8.012 3.092 1.00 0.00 H new ATOM 1098 N GLU A 495 -11.499 -11.790 3.906 1.00 0.00 N ATOM 1099 CA GLU A 495 -11.641 -12.489 5.179 1.00 0.00 C ATOM 1100 C GLU A 495 -10.281 -12.698 5.839 1.00 0.00 C ATOM 1101 O GLU A 495 -10.142 -12.563 7.055 1.00 0.00 O ATOM 1102 CB GLU A 495 -12.332 -13.838 4.971 1.00 0.00 C ATOM 1103 CG GLU A 495 -11.572 -14.775 4.047 1.00 0.00 C ATOM 1104 CD GLU A 495 -12.394 -15.981 3.635 1.00 0.00 C ATOM 1105 OE1 GLU A 495 -12.592 -16.881 4.478 1.00 0.00 O ATOM 1106 OE2 GLU A 495 -12.839 -16.025 2.469 1.00 0.00 O ATOM 0 H GLU A 495 -11.222 -12.386 3.126 1.00 0.00 H new ATOM 0 HA GLU A 495 -12.254 -11.873 5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 495 -12.463 -14.323 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 495 -13.328 -13.667 4.563 1.00 0.00 H new ATOM 0 HG2 GLU A 495 -11.263 -14.229 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 495 -10.663 -15.112 4.545 1.00 0.00 H new ATOM 1113 N SER A 496 -9.281 -13.029 5.029 1.00 0.00 N ATOM 1114 CA SER A 496 -7.933 -13.262 5.534 1.00 0.00 C ATOM 1115 C SER A 496 -7.492 -12.123 6.449 1.00 0.00 C ATOM 1116 O SER A 496 -6.924 -12.354 7.517 1.00 0.00 O ATOM 1117 CB SER A 496 -6.948 -13.409 4.372 1.00 0.00 C ATOM 1118 OG SER A 496 -6.839 -14.761 3.964 1.00 0.00 O ATOM 0 H SER A 496 -9.379 -13.142 4.020 1.00 0.00 H new ATOM 0 HA SER A 496 -7.942 -14.186 6.111 1.00 0.00 H new ATOM 0 HB2 SER A 496 -7.278 -12.798 3.532 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.969 -13.036 4.672 1.00 0.00 H new ATOM 0 HG SER A 496 -6.205 -14.828 3.219 1.00 0.00 H new ATOM 1124 N TYR A 497 -7.756 -10.893 6.021 1.00 0.00 N ATOM 1125 CA TYR A 497 -7.385 -9.717 6.799 1.00 0.00 C ATOM 1126 C TYR A 497 -8.592 -8.814 7.031 1.00 0.00 C ATOM 1127 O TYR A 497 -9.578 -8.876 6.296 1.00 0.00 O ATOM 1128 CB TYR A 497 -6.279 -8.937 6.087 1.00 0.00 C ATOM 1129 CG TYR A 497 -6.632 -8.542 4.671 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -7.408 -7.418 4.416 1.00 0.00 C ATOM 1131 CD2 TYR A 497 -6.191 -9.293 3.588 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -7.734 -7.053 3.124 1.00 0.00 C ATOM 1133 CE2 TYR A 497 -6.511 -8.934 2.293 1.00 0.00 C ATOM 1134 CZ TYR A 497 -7.282 -7.814 2.066 1.00 0.00 C ATOM 1135 OH TYR A 497 -7.604 -7.455 0.777 1.00 0.00 O ATOM 0 H TYR A 497 -8.225 -10.685 5.140 1.00 0.00 H new ATOM 0 HA TYR A 497 -7.016 -10.055 7.767 1.00 0.00 H new ATOM 0 HB2 TYR A 497 -6.053 -8.038 6.660 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -5.372 -9.541 6.071 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -7.762 -6.819 5.242 1.00 0.00 H new ATOM 0 HD2 TYR A 497 -5.588 -10.172 3.762 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -8.339 -6.177 2.943 1.00 0.00 H new ATOM 0 HE2 TYR A 497 -6.159 -9.528 1.462 1.00 0.00 H new ATOM 0 HH TYR A 497 -7.207 -8.095 0.150 1.00 0.00 H new ATOM 1145 N ARG A 498 -8.506 -7.974 8.057 1.00 0.00 N ATOM 1146 CA ARG A 498 -9.590 -7.057 8.387 1.00 0.00 C ATOM 1147 C ARG A 498 -9.074 -5.626 8.511 1.00 0.00 C ATOM 1148 O ARG A 498 -8.242 -5.329 9.368 1.00 0.00 O ATOM 1149 CB ARG A 498 -10.267 -7.481 9.692 1.00 0.00 C ATOM 1150 CG ARG A 498 -11.716 -7.037 9.799 1.00 0.00 C ATOM 1151 CD ARG A 498 -12.158 -6.923 11.249 1.00 0.00 C ATOM 1152 NE ARG A 498 -12.175 -8.220 11.920 1.00 0.00 N ATOM 1153 CZ ARG A 498 -13.050 -9.180 11.641 1.00 0.00 C ATOM 1154 NH1 ARG A 498 -13.974 -8.990 10.709 1.00 0.00 N ATOM 1155 NH2 ARG A 498 -13.002 -10.334 12.295 1.00 0.00 N ATOM 0 H ARG A 498 -7.697 -7.910 8.674 1.00 0.00 H new ATOM 0 HA ARG A 498 -10.320 -7.093 7.579 1.00 0.00 H new ATOM 0 HB2 ARG A 498 -10.221 -8.567 9.779 1.00 0.00 H new ATOM 0 HB3 ARG A 498 -9.707 -7.070 10.532 1.00 0.00 H new ATOM 0 HG2 ARG A 498 -11.840 -6.074 9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 498 -12.355 -7.749 9.278 1.00 0.00 H new ATOM 0 HD2 ARG A 498 -11.487 -6.249 11.781 1.00 0.00 H new ATOM 0 HD3 ARG A 498 -13.153 -6.480 11.291 1.00 0.00 H new ATOM 0 HE ARG A 498 -11.477 -8.399 12.642 1.00 0.00 H new ATOM 0 HH11 ARG A 498 -14.014 -8.105 10.204 1.00 0.00 H new ATOM 0 HH12 ARG A 498 -14.644 -9.729 10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 498 -12.293 -10.484 13.013 1.00 0.00 H new ATOM 0 HH22 ARG A 498 -13.674 -11.070 12.080 1.00 0.00 H new ATOM 1169 N ILE A 499 -9.572 -4.746 7.649 1.00 0.00 N ATOM 1170 CA ILE A 499 -9.162 -3.347 7.664 1.00 0.00 C ATOM 1171 C ILE A 499 -10.298 -2.446 8.135 1.00 0.00 C ATOM 1172 O ILE A 499 -11.457 -2.656 7.781 1.00 0.00 O ATOM 1173 CB ILE A 499 -8.697 -2.883 6.271 1.00 0.00 C ATOM 1174 CG1 ILE A 499 -7.707 -3.888 5.678 1.00 0.00 C ATOM 1175 CG2 ILE A 499 -8.070 -1.500 6.355 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -7.216 -3.510 4.298 1.00 0.00 C ATOM 0 H ILE A 499 -10.260 -4.977 6.932 1.00 0.00 H new ATOM 0 HA ILE A 499 -8.328 -3.270 8.361 1.00 0.00 H new ATOM 0 HB ILE A 499 -9.566 -2.827 5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 499 -6.851 -3.980 6.347 1.00 0.00 H new ATOM 0 HG13 ILE A 499 -8.181 -4.868 5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 499 -7.746 -1.186 5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 499 -8.803 -0.791 6.739 1.00 0.00 H new ATOM 0 HG23 ILE A 499 -7.210 -1.530 7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -6.518 -4.267 3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 499 -8.063 -3.446 3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -6.712 -2.544 4.343 1.00 0.00 H new ATOM 1188 N GLN A 500 -9.955 -1.440 8.934 1.00 0.00 N ATOM 1189 CA GLN A 500 -10.946 -0.506 9.453 1.00 0.00 C ATOM 1190 C GLN A 500 -10.345 0.885 9.627 1.00 0.00 C ATOM 1191 O GLN A 500 -9.147 1.086 9.422 1.00 0.00 O ATOM 1192 CB GLN A 500 -11.500 -1.006 10.789 1.00 0.00 C ATOM 1193 CG GLN A 500 -10.421 -1.416 11.779 1.00 0.00 C ATOM 1194 CD GLN A 500 -9.977 -0.269 12.665 1.00 0.00 C ATOM 1195 OE1 GLN A 500 -9.518 0.765 12.179 1.00 0.00 O ATOM 1196 NE2 GLN A 500 -10.110 -0.447 13.975 1.00 0.00 N ATOM 0 H GLN A 500 -8.999 -1.252 9.235 1.00 0.00 H new ATOM 0 HA GLN A 500 -11.760 -0.442 8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 500 -12.112 -0.222 11.235 1.00 0.00 H new ATOM 0 HB3 GLN A 500 -12.156 -1.857 10.605 1.00 0.00 H new ATOM 0 HG2 GLN A 500 -10.795 -2.228 12.402 1.00 0.00 H new ATOM 0 HG3 GLN A 500 -9.560 -1.803 11.233 1.00 0.00 H new ATOM 0 HE21 GLN A 500 -10.495 -1.320 14.334 1.00 0.00 H new ATOM 0 HE22 GLN A 500 -9.827 0.290 14.621 1.00 0.00 H new ATOM 1205 N THR A 501 -11.184 1.844 10.006 1.00 0.00 N ATOM 1206 CA THR A 501 -10.735 3.217 10.206 1.00 0.00 C ATOM 1207 C THR A 501 -10.017 3.371 11.541 1.00 0.00 C ATOM 1208 O THR A 501 -10.504 2.916 12.576 1.00 0.00 O ATOM 1209 CB THR A 501 -11.915 4.206 10.153 1.00 0.00 C ATOM 1210 OG1 THR A 501 -12.989 3.732 10.972 1.00 0.00 O ATOM 1211 CG2 THR A 501 -12.403 4.391 8.724 1.00 0.00 C ATOM 0 H THR A 501 -12.178 1.696 10.181 1.00 0.00 H new ATOM 0 HA THR A 501 -10.042 3.445 9.396 1.00 0.00 H new ATOM 0 HB THR A 501 -11.570 5.169 10.529 1.00 0.00 H new ATOM 0 HG1 THR A 501 -13.734 4.367 10.934 1.00 0.00 H new ATOM 0 HG21 THR A 501 -13.236 5.093 8.712 1.00 0.00 H new ATOM 0 HG22 THR A 501 -11.591 4.781 8.110 1.00 0.00 H new ATOM 0 HG23 THR A 501 -12.732 3.432 8.325 1.00 0.00 H new ATOM 1219 N TYR A 502 -8.856 4.016 11.511 1.00 0.00 N ATOM 1220 CA TYR A 502 -8.069 4.229 12.720 1.00 0.00 C ATOM 1221 C TYR A 502 -8.974 4.468 13.924 1.00 0.00 C ATOM 1222 O TYR A 502 -8.733 3.941 15.010 1.00 0.00 O ATOM 1223 CB TYR A 502 -7.123 5.417 12.535 1.00 0.00 C ATOM 1224 CG TYR A 502 -6.232 5.673 13.729 1.00 0.00 C ATOM 1225 CD1 TYR A 502 -4.989 5.061 13.837 1.00 0.00 C ATOM 1226 CD2 TYR A 502 -6.632 6.527 14.750 1.00 0.00 C ATOM 1227 CE1 TYR A 502 -4.172 5.291 14.927 1.00 0.00 C ATOM 1228 CE2 TYR A 502 -5.821 6.764 15.842 1.00 0.00 C ATOM 1229 CZ TYR A 502 -4.592 6.144 15.926 1.00 0.00 C ATOM 1230 OH TYR A 502 -3.781 6.377 17.014 1.00 0.00 O ATOM 0 H TYR A 502 -8.439 4.400 10.663 1.00 0.00 H new ATOM 0 HA TYR A 502 -7.481 3.330 12.903 1.00 0.00 H new ATOM 0 HB2 TYR A 502 -6.500 5.241 11.658 1.00 0.00 H new ATOM 0 HB3 TYR A 502 -7.712 6.312 12.333 1.00 0.00 H new ATOM 0 HD1 TYR A 502 -4.656 4.394 13.055 1.00 0.00 H new ATOM 0 HD2 TYR A 502 -7.594 7.014 14.688 1.00 0.00 H new ATOM 0 HE1 TYR A 502 -3.210 4.806 14.996 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -6.147 7.431 16.626 1.00 0.00 H new ATOM 0 HH TYR A 502 -4.224 7.002 17.625 1.00 0.00 H new ATOM 1240 N ALA A 503 -10.017 5.266 13.723 1.00 0.00 N ATOM 1241 CA ALA A 503 -10.961 5.573 14.791 1.00 0.00 C ATOM 1242 C ALA A 503 -11.596 4.302 15.345 1.00 0.00 C ATOM 1243 O ALA A 503 -11.707 4.132 16.559 1.00 0.00 O ATOM 1244 CB ALA A 503 -12.035 6.526 14.288 1.00 0.00 C ATOM 0 H ALA A 503 -10.230 5.712 12.831 1.00 0.00 H new ATOM 0 HA ALA A 503 -10.412 6.056 15.600 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -12.733 6.747 15.096 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -11.570 7.451 13.947 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -12.573 6.064 13.460 1.00 0.00 H new ATOM 1250 N GLU A 504 -12.010 3.413 14.448 1.00 0.00 N ATOM 1251 CA GLU A 504 -12.635 2.158 14.849 1.00 0.00 C ATOM 1252 C GLU A 504 -11.757 1.407 15.845 1.00 0.00 C ATOM 1253 O GLU A 504 -12.243 0.584 16.621 1.00 0.00 O ATOM 1254 CB GLU A 504 -12.901 1.281 13.624 1.00 0.00 C ATOM 1255 CG GLU A 504 -14.265 1.512 12.994 1.00 0.00 C ATOM 1256 CD GLU A 504 -15.374 0.774 13.718 1.00 0.00 C ATOM 1257 OE1 GLU A 504 -15.640 -0.393 13.362 1.00 0.00 O ATOM 1258 OE2 GLU A 504 -15.976 1.363 14.640 1.00 0.00 O ATOM 0 H GLU A 504 -11.924 3.538 13.439 1.00 0.00 H new ATOM 0 HA GLU A 504 -13.584 2.392 15.332 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -12.129 1.470 12.878 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -12.816 0.233 13.912 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -14.485 2.580 12.993 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -14.239 1.191 11.953 1.00 0.00 H new ATOM 1265 N TYR A 505 -10.460 1.696 15.817 1.00 0.00 N ATOM 1266 CA TYR A 505 -9.513 1.046 16.715 1.00 0.00 C ATOM 1267 C TYR A 505 -9.477 1.747 18.069 1.00 0.00 C ATOM 1268 O TYR A 505 -9.926 1.200 19.077 1.00 0.00 O ATOM 1269 CB TYR A 505 -8.114 1.038 16.095 1.00 0.00 C ATOM 1270 CG TYR A 505 -7.016 0.721 17.084 1.00 0.00 C ATOM 1271 CD1 TYR A 505 -6.969 -0.508 17.731 1.00 0.00 C ATOM 1272 CD2 TYR A 505 -6.024 1.651 17.372 1.00 0.00 C ATOM 1273 CE1 TYR A 505 -5.967 -0.801 18.636 1.00 0.00 C ATOM 1274 CE2 TYR A 505 -5.017 1.366 18.274 1.00 0.00 C ATOM 1275 CZ TYR A 505 -4.994 0.139 18.904 1.00 0.00 C ATOM 1276 OH TYR A 505 -3.993 -0.150 19.804 1.00 0.00 O ATOM 0 H TYR A 505 -10.041 2.376 15.182 1.00 0.00 H new ATOM 0 HA TYR A 505 -9.842 0.018 16.867 1.00 0.00 H new ATOM 0 HB2 TYR A 505 -8.087 0.306 15.288 1.00 0.00 H new ATOM 0 HB3 TYR A 505 -7.918 2.012 15.648 1.00 0.00 H new ATOM 0 HD1 TYR A 505 -7.729 -1.247 17.523 1.00 0.00 H new ATOM 0 HD2 TYR A 505 -6.041 2.613 16.882 1.00 0.00 H new ATOM 0 HE1 TYR A 505 -5.946 -1.761 19.131 1.00 0.00 H new ATOM 0 HE2 TYR A 505 -4.253 2.099 18.485 1.00 0.00 H new ATOM 0 HH TYR A 505 -3.388 0.617 19.878 1.00 0.00 H new ATOM 1286 N VAL A 506 -8.941 2.963 18.085 1.00 0.00 N ATOM 1287 CA VAL A 506 -8.847 3.742 19.314 1.00 0.00 C ATOM 1288 C VAL A 506 -10.179 3.759 20.057 1.00 0.00 C ATOM 1289 O VAL A 506 -10.216 3.743 21.286 1.00 0.00 O ATOM 1290 CB VAL A 506 -8.413 5.192 19.029 1.00 0.00 C ATOM 1291 CG1 VAL A 506 -6.927 5.251 18.709 1.00 0.00 C ATOM 1292 CG2 VAL A 506 -9.235 5.780 17.892 1.00 0.00 C ATOM 0 H VAL A 506 -8.565 3.430 17.260 1.00 0.00 H new ATOM 0 HA VAL A 506 -8.092 3.261 19.936 1.00 0.00 H new ATOM 0 HB VAL A 506 -8.592 5.789 19.923 1.00 0.00 H new ATOM 0 HG11 VAL A 506 -6.638 6.283 18.510 1.00 0.00 H new ATOM 0 HG12 VAL A 506 -6.357 4.871 19.557 1.00 0.00 H new ATOM 0 HG13 VAL A 506 -6.720 4.641 17.830 1.00 0.00 H new ATOM 0 HG21 VAL A 506 -8.915 6.805 17.704 1.00 0.00 H new ATOM 0 HG22 VAL A 506 -9.089 5.183 16.991 1.00 0.00 H new ATOM 0 HG23 VAL A 506 -10.290 5.774 18.165 1.00 0.00 H new