USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=24 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 :FLIP no HD1:sc= -0.495 F(o=-1.7,f=-0.5) USER MOD Single : A 442 HIS :FLIP no HE2:sc= -7.41! C(o=-9.8!,f=-7.4!) USER MOD Single : A 444 THR OG1 : rot 51:sc= 0.0335 USER MOD Single : A 447 LYS NZ :NH3+ 163:sc= -0.0733 (180deg=-0.382) USER MOD Single : A 450 LYS NZ :NH3+ -164:sc=-0.00986 (180deg=-0.162) USER MOD Single : A 451 THR OG1 : rot 180:sc= -0.0787 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.98) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= -0.0346 X(o=-0.035,f=-0.035) USER MOD Single : A 465 GLN : amide:sc= -0.0949 K(o=-0.095,f=-1.7!) 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= -0.223 USER MOD Single : A 477 SER OG : rot 180:sc= -0.197 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= -1.6 X(o=-1.6,f=-2.1) USER MOD Single : A 483 GLN : amide:sc= -1.17 K(o=-1.2,f=-3.3!) USER MOD Single : A 485 GLN :FLIP amide:sc= -1.74 F(o=-2.3,f=-1.7) USER MOD Single : A 489 ASN : amide:sc= -1.61! C(o=-1.6!,f=-2.4!) USER MOD Single : A 490 THR OG1 : rot -11:sc= 0.147 USER MOD Single : A 491 SER OG : rot -46:sc= 0.978 USER MOD Single : A 492 LYS NZ :NH3+ 166:sc=-0.00464 (180deg=-0.11) 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=-0.00324 USER MOD Single : A 500 GLN : amide:sc= -2.72 K(o=-2.7,f=-5.8!) USER MOD Single : A 501 THR OG1 : rot 180:sc= -0.0277 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 -6.062 8.932 6.527 1.00 0.00 N ATOM 208 CA HIS A 439 -5.072 8.251 5.700 1.00 0.00 C ATOM 209 C HIS A 439 -4.557 6.993 6.393 1.00 0.00 C ATOM 210 O HIS A 439 -4.230 6.002 5.741 1.00 0.00 O ATOM 211 CB HIS A 439 -3.905 9.189 5.388 1.00 0.00 C ATOM 212 CG HIS A 439 -3.575 10.128 6.507 1.00 0.00 C ATOM 213 ND1 HIS A 439 -2.796 9.962 7.601 1.00 0.00 N flip ATOM 214 CD2 HIS A 439 -4.071 11.413 6.582 1.00 0.00 C flip ATOM 215 CE1 HIS A 439 -2.833 11.138 8.310 1.00 0.00 C flip ATOM 216 NE2 HIS A 439 -3.609 11.997 7.673 1.00 0.00 N flip ATOM 0 HA HIS A 439 -5.554 7.959 4.767 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -3.023 8.593 5.153 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.144 9.769 4.497 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -4.733 11.870 5.862 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -2.313 11.329 9.237 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -3.816 12.950 7.973 1.00 0.00 H new ATOM 225 N VAL A 440 -4.486 7.041 7.720 1.00 0.00 N ATOM 226 CA VAL A 440 -4.012 5.906 8.502 1.00 0.00 C ATOM 227 C VAL A 440 -5.057 4.797 8.551 1.00 0.00 C ATOM 228 O VAL A 440 -6.231 5.048 8.827 1.00 0.00 O ATOM 229 CB VAL A 440 -3.655 6.325 9.940 1.00 0.00 C ATOM 230 CG1 VAL A 440 -3.307 5.106 10.781 1.00 0.00 C ATOM 231 CG2 VAL A 440 -2.509 7.325 9.935 1.00 0.00 C ATOM 0 H VAL A 440 -4.751 7.854 8.276 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.115 5.534 8.007 1.00 0.00 H new ATOM 0 HB VAL A 440 -4.525 6.807 10.386 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -3.057 5.422 11.794 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -4.161 4.429 10.812 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -2.453 4.592 10.341 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -2.270 7.610 10.960 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -1.633 6.872 9.471 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -2.801 8.211 9.371 1.00 0.00 H new ATOM 241 N LEU A 441 -4.624 3.571 8.282 1.00 0.00 N ATOM 242 CA LEU A 441 -5.522 2.422 8.297 1.00 0.00 C ATOM 243 C LEU A 441 -5.047 1.372 9.296 1.00 0.00 C ATOM 244 O LEU A 441 -3.877 0.988 9.301 1.00 0.00 O ATOM 245 CB LEU A 441 -5.617 1.806 6.899 1.00 0.00 C ATOM 246 CG LEU A 441 -5.910 2.778 5.756 1.00 0.00 C ATOM 247 CD1 LEU A 441 -5.542 2.155 4.418 1.00 0.00 C ATOM 248 CD2 LEU A 441 -7.374 3.191 5.770 1.00 0.00 C ATOM 0 H LEU A 441 -3.656 3.347 8.051 1.00 0.00 H new ATOM 0 HA LEU A 441 -6.509 2.768 8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -4.678 1.296 6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -6.397 1.045 6.911 1.00 0.00 H new ATOM 0 HG LEU A 441 -5.300 3.670 5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -5.757 2.861 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -4.480 1.910 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -6.125 1.246 4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -7.565 3.883 4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 441 -8.002 2.308 5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 441 -7.605 3.678 6.717 1.00 0.00 H new ATOM 260 N HIS A 442 -5.964 0.909 10.141 1.00 0.00 N ATOM 261 CA HIS A 442 -5.639 -0.099 11.144 1.00 0.00 C ATOM 262 C HIS A 442 -5.924 -1.502 10.616 1.00 0.00 C ATOM 263 O HIS A 442 -7.080 -1.900 10.473 1.00 0.00 O ATOM 264 CB HIS A 442 -6.439 0.149 12.424 1.00 0.00 C ATOM 265 CG HIS A 442 -5.971 -0.668 13.589 1.00 0.00 C ATOM 266 ND1 HIS A 442 -4.985 -0.443 14.488 1.00 0.00 N flip ATOM 267 CD2 HIS A 442 -6.536 -1.877 13.936 1.00 0.00 C flip ATOM 268 CE1 HIS A 442 -4.973 -1.509 15.354 1.00 0.00 C flip ATOM 269 NE2 HIS A 442 -5.919 -2.360 15.000 1.00 0.00 N flip ATOM 0 H HIS A 442 -6.937 1.216 10.151 1.00 0.00 H new ATOM 0 HA HIS A 442 -4.575 -0.023 11.369 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -6.376 1.206 12.683 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -7.490 -0.071 12.235 1.00 0.00 H new ATOM 0 HD1 HIS A 442 -4.366 0.367 14.517 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -7.355 -2.355 13.419 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -4.299 -1.632 16.189 1.00 0.00 H new ATOM 278 N VAL A 443 -4.861 -2.246 10.326 1.00 0.00 N ATOM 279 CA VAL A 443 -4.997 -3.605 9.814 1.00 0.00 C ATOM 280 C VAL A 443 -4.579 -4.631 10.861 1.00 0.00 C ATOM 281 O VAL A 443 -3.436 -4.638 11.319 1.00 0.00 O ATOM 282 CB VAL A 443 -4.152 -3.812 8.543 1.00 0.00 C ATOM 283 CG1 VAL A 443 -4.362 -5.211 7.984 1.00 0.00 C ATOM 284 CG2 VAL A 443 -4.490 -2.756 7.501 1.00 0.00 C ATOM 0 H VAL A 443 -3.897 -1.931 10.437 1.00 0.00 H new ATOM 0 HA VAL A 443 -6.050 -3.748 9.570 1.00 0.00 H new ATOM 0 HB VAL A 443 -3.100 -3.706 8.806 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.757 -5.339 7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -4.066 -5.949 8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.414 -5.349 7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.884 -2.917 6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.546 -2.828 7.240 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.283 -1.766 7.906 1.00 0.00 H new ATOM 294 N THR A 444 -5.514 -5.499 11.236 1.00 0.00 N ATOM 295 CA THR A 444 -5.244 -6.530 12.230 1.00 0.00 C ATOM 296 C THR A 444 -5.020 -7.886 11.569 1.00 0.00 C ATOM 297 O THR A 444 -5.967 -8.535 11.125 1.00 0.00 O ATOM 298 CB THR A 444 -6.399 -6.651 13.242 1.00 0.00 C ATOM 299 OG1 THR A 444 -7.656 -6.517 12.570 1.00 0.00 O ATOM 300 CG2 THR A 444 -6.282 -5.588 14.325 1.00 0.00 C ATOM 0 H THR A 444 -6.465 -5.508 10.866 1.00 0.00 H new ATOM 0 HA THR A 444 -4.338 -6.231 12.757 1.00 0.00 H new ATOM 0 HB THR A 444 -6.341 -7.634 13.710 1.00 0.00 H new ATOM 0 HG1 THR A 444 -7.683 -7.125 11.802 1.00 0.00 H new ATOM 0 HG21 THR A 444 -7.108 -5.693 15.028 1.00 0.00 H new ATOM 0 HG22 THR A 444 -5.337 -5.710 14.854 1.00 0.00 H new ATOM 0 HG23 THR A 444 -6.317 -4.599 13.869 1.00 0.00 H new ATOM 308 N PHE A 445 -3.761 -8.308 11.508 1.00 0.00 N ATOM 309 CA PHE A 445 -3.413 -9.587 10.900 1.00 0.00 C ATOM 310 C PHE A 445 -2.710 -10.493 11.907 1.00 0.00 C ATOM 311 O PHE A 445 -2.089 -10.034 12.866 1.00 0.00 O ATOM 312 CB PHE A 445 -2.516 -9.369 9.680 1.00 0.00 C ATOM 313 CG PHE A 445 -1.304 -8.530 9.970 1.00 0.00 C ATOM 314 CD1 PHE A 445 -0.257 -9.039 10.722 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.210 -7.234 9.489 1.00 0.00 C ATOM 316 CE1 PHE A 445 0.859 -8.269 10.990 1.00 0.00 C ATOM 317 CE2 PHE A 445 -0.096 -6.460 9.754 1.00 0.00 C ATOM 318 CZ PHE A 445 0.940 -6.978 10.505 1.00 0.00 C ATOM 0 H PHE A 445 -2.966 -7.783 11.872 1.00 0.00 H new ATOM 0 HA PHE A 445 -4.335 -10.073 10.581 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -2.195 -10.338 9.297 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -3.098 -8.892 8.891 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -0.314 -10.048 11.103 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -2.017 -6.824 8.900 1.00 0.00 H new ATOM 0 HE1 PHE A 445 1.668 -8.677 11.579 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -0.036 -5.451 9.374 1.00 0.00 H new ATOM 0 HZ PHE A 445 1.812 -6.375 10.713 1.00 0.00 H new ATOM 328 N PRO A 446 -2.809 -11.812 11.684 1.00 0.00 N ATOM 329 CA PRO A 446 -2.190 -12.811 12.560 1.00 0.00 C ATOM 330 C PRO A 446 -0.668 -12.809 12.457 1.00 0.00 C ATOM 331 O PRO A 446 -0.104 -12.369 11.455 1.00 0.00 O ATOM 332 CB PRO A 446 -2.759 -14.136 12.045 1.00 0.00 C ATOM 333 CG PRO A 446 -3.106 -13.871 10.621 1.00 0.00 C ATOM 334 CD PRO A 446 -3.533 -12.430 10.561 1.00 0.00 C ATOM 0 HA PRO A 446 -2.404 -12.619 13.611 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -2.029 -14.941 12.131 1.00 0.00 H new ATOM 0 HB3 PRO A 446 -3.636 -14.439 12.617 1.00 0.00 H new ATOM 0 HG2 PRO A 446 -2.250 -14.052 9.970 1.00 0.00 H new ATOM 0 HG3 PRO A 446 -3.907 -14.530 10.285 1.00 0.00 H new ATOM 0 HD2 PRO A 446 -3.265 -11.971 9.609 1.00 0.00 H new ATOM 0 HD3 PRO A 446 -4.612 -12.326 10.673 1.00 0.00 H new ATOM 342 N LYS A 447 -0.009 -13.304 13.499 1.00 0.00 N ATOM 343 CA LYS A 447 1.448 -13.361 13.526 1.00 0.00 C ATOM 344 C LYS A 447 1.984 -14.140 12.329 1.00 0.00 C ATOM 345 O LYS A 447 3.008 -13.777 11.750 1.00 0.00 O ATOM 346 CB LYS A 447 1.930 -14.009 14.826 1.00 0.00 C ATOM 347 CG LYS A 447 1.664 -15.502 14.897 1.00 0.00 C ATOM 348 CD LYS A 447 2.158 -16.096 16.205 1.00 0.00 C ATOM 349 CE LYS A 447 2.062 -17.614 16.201 1.00 0.00 C ATOM 350 NZ LYS A 447 2.921 -18.221 15.146 1.00 0.00 N ATOM 0 H LYS A 447 -0.461 -13.672 14.336 1.00 0.00 H new ATOM 0 HA LYS A 447 1.827 -12.341 13.473 1.00 0.00 H new ATOM 0 HB2 LYS A 447 3.000 -13.834 14.934 1.00 0.00 H new ATOM 0 HB3 LYS A 447 1.440 -13.521 15.669 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.595 -15.687 14.793 1.00 0.00 H new ATOM 0 HG3 LYS A 447 2.156 -16.000 14.062 1.00 0.00 H new ATOM 0 HD2 LYS A 447 3.192 -15.797 16.374 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.571 -15.696 17.032 1.00 0.00 H new ATOM 0 HE2 LYS A 447 2.358 -17.999 17.177 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.026 -17.912 16.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 3.059 -19.232 15.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 2.461 -18.114 14.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 3.844 -17.742 15.132 1.00 0.00 H new ATOM 364 N GLU A 448 1.285 -15.209 11.963 1.00 0.00 N ATOM 365 CA GLU A 448 1.692 -16.038 10.834 1.00 0.00 C ATOM 366 C GLU A 448 2.097 -15.173 9.643 1.00 0.00 C ATOM 367 O GLU A 448 2.900 -15.588 8.807 1.00 0.00 O ATOM 368 CB GLU A 448 0.557 -16.981 10.430 1.00 0.00 C ATOM 369 CG GLU A 448 -0.432 -16.363 9.457 1.00 0.00 C ATOM 370 CD GLU A 448 -1.418 -17.374 8.906 1.00 0.00 C ATOM 371 OE1 GLU A 448 -1.020 -18.180 8.040 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.589 -17.358 9.342 1.00 0.00 O ATOM 0 H GLU A 448 0.434 -15.522 12.431 1.00 0.00 H new ATOM 0 HA GLU A 448 2.554 -16.630 11.142 1.00 0.00 H new ATOM 0 HB2 GLU A 448 0.984 -17.878 9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 448 0.023 -17.297 11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -0.979 -15.564 9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 448 0.114 -15.906 8.631 1.00 0.00 H new ATOM 379 N TRP A 449 1.536 -13.972 9.574 1.00 0.00 N ATOM 380 CA TRP A 449 1.838 -13.049 8.486 1.00 0.00 C ATOM 381 C TRP A 449 3.285 -12.573 8.561 1.00 0.00 C ATOM 382 O TRP A 449 4.000 -12.877 9.516 1.00 0.00 O ATOM 383 CB TRP A 449 0.891 -11.849 8.530 1.00 0.00 C ATOM 384 CG TRP A 449 -0.454 -12.132 7.933 1.00 0.00 C ATOM 385 CD1 TRP A 449 -1.167 -13.293 8.033 1.00 0.00 C ATOM 386 CD2 TRP A 449 -1.246 -11.239 7.142 1.00 0.00 C ATOM 387 NE1 TRP A 449 -2.355 -13.175 7.352 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.428 -11.924 6.798 1.00 0.00 C ATOM 389 CE3 TRP A 449 -1.074 -9.927 6.694 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -3.428 -11.340 6.025 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -2.067 -9.349 5.927 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.233 -10.055 5.600 1.00 0.00 C ATOM 0 H TRP A 449 0.870 -13.614 10.258 1.00 0.00 H new ATOM 0 HA TRP A 449 1.698 -13.579 7.544 1.00 0.00 H new ATOM 0 HB2 TRP A 449 0.762 -11.535 9.566 1.00 0.00 H new ATOM 0 HB3 TRP A 449 1.348 -11.015 7.998 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -0.845 -14.174 8.568 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -3.067 -13.901 7.272 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -0.180 -9.374 6.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -4.326 -11.883 5.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -1.943 -8.336 5.573 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -3.992 -9.575 5.001 1.00 0.00 H new ATOM 403 N LYS A 450 3.711 -11.825 7.549 1.00 0.00 N ATOM 404 CA LYS A 450 5.072 -11.306 7.501 1.00 0.00 C ATOM 405 C LYS A 450 5.111 -9.943 6.817 1.00 0.00 C ATOM 406 O LYS A 450 4.156 -9.544 6.149 1.00 0.00 O ATOM 407 CB LYS A 450 5.988 -12.285 6.764 1.00 0.00 C ATOM 408 CG LYS A 450 5.817 -13.728 7.205 1.00 0.00 C ATOM 409 CD LYS A 450 4.703 -14.418 6.437 1.00 0.00 C ATOM 410 CE LYS A 450 4.805 -15.932 6.545 1.00 0.00 C ATOM 411 NZ LYS A 450 5.947 -16.469 5.756 1.00 0.00 N ATOM 0 H LYS A 450 3.132 -11.565 6.750 1.00 0.00 H new ATOM 0 HA LYS A 450 5.425 -11.189 8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 450 5.794 -12.216 5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 450 7.025 -11.987 6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 450 6.752 -14.268 7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 450 5.598 -13.760 8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 450 3.737 -14.089 6.821 1.00 0.00 H new ATOM 0 HD3 LYS A 450 4.746 -14.123 5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 450 4.922 -16.214 7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 450 3.877 -16.384 6.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 5.830 -17.495 5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 5.974 -16.006 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 6.837 -16.282 6.261 1.00 0.00 H new ATOM 425 N THR A 451 6.222 -9.232 6.985 1.00 0.00 N ATOM 426 CA THR A 451 6.385 -7.915 6.383 1.00 0.00 C ATOM 427 C THR A 451 6.107 -7.957 4.885 1.00 0.00 C ATOM 428 O THR A 451 5.343 -7.146 4.362 1.00 0.00 O ATOM 429 CB THR A 451 7.804 -7.363 6.615 1.00 0.00 C ATOM 430 OG1 THR A 451 8.118 -7.392 8.012 1.00 0.00 O ATOM 431 CG2 THR A 451 7.923 -5.939 6.094 1.00 0.00 C ATOM 0 H THR A 451 7.022 -9.547 7.533 1.00 0.00 H new ATOM 0 HA THR A 451 5.663 -7.256 6.865 1.00 0.00 H new ATOM 0 HB THR A 451 8.508 -7.992 6.071 1.00 0.00 H new ATOM 0 HG1 THR A 451 9.022 -7.041 8.151 1.00 0.00 H new ATOM 0 HG21 THR A 451 8.934 -5.571 6.269 1.00 0.00 H new ATOM 0 HG22 THR A 451 7.711 -5.924 5.025 1.00 0.00 H new ATOM 0 HG23 THR A 451 7.209 -5.300 6.614 1.00 0.00 H new ATOM 439 N SER A 452 6.733 -8.908 4.198 1.00 0.00 N ATOM 440 CA SER A 452 6.555 -9.053 2.758 1.00 0.00 C ATOM 441 C SER A 452 5.077 -9.178 2.403 1.00 0.00 C ATOM 442 O SER A 452 4.612 -8.600 1.420 1.00 0.00 O ATOM 443 CB SER A 452 7.319 -10.278 2.250 1.00 0.00 C ATOM 444 OG SER A 452 8.697 -10.186 2.565 1.00 0.00 O ATOM 0 H SER A 452 7.367 -9.589 4.615 1.00 0.00 H new ATOM 0 HA SER A 452 6.952 -8.160 2.276 1.00 0.00 H new ATOM 0 HB2 SER A 452 6.901 -11.181 2.694 1.00 0.00 H new ATOM 0 HB3 SER A 452 7.195 -10.366 1.171 1.00 0.00 H new ATOM 0 HG SER A 452 9.163 -10.981 2.231 1.00 0.00 H new ATOM 450 N ASP A 453 4.343 -9.937 3.210 1.00 0.00 N ATOM 451 CA ASP A 453 2.917 -10.138 2.983 1.00 0.00 C ATOM 452 C ASP A 453 2.171 -8.807 3.003 1.00 0.00 C ATOM 453 O ASP A 453 1.348 -8.531 2.128 1.00 0.00 O ATOM 454 CB ASP A 453 2.338 -11.078 4.041 1.00 0.00 C ATOM 455 CG ASP A 453 1.037 -11.717 3.598 1.00 0.00 C ATOM 456 OD1 ASP A 453 -0.020 -11.063 3.726 1.00 0.00 O ATOM 457 OD2 ASP A 453 1.075 -12.871 3.123 1.00 0.00 O ATOM 0 H ASP A 453 4.712 -10.423 4.027 1.00 0.00 H new ATOM 0 HA ASP A 453 2.791 -10.590 1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 453 3.065 -11.859 4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 453 2.171 -10.523 4.964 1.00 0.00 H new ATOM 462 N LEU A 454 2.462 -7.987 4.006 1.00 0.00 N ATOM 463 CA LEU A 454 1.817 -6.685 4.141 1.00 0.00 C ATOM 464 C LEU A 454 2.074 -5.820 2.911 1.00 0.00 C ATOM 465 O LEU A 454 1.138 -5.366 2.253 1.00 0.00 O ATOM 466 CB LEU A 454 2.324 -5.971 5.395 1.00 0.00 C ATOM 467 CG LEU A 454 1.591 -6.298 6.697 1.00 0.00 C ATOM 468 CD1 LEU A 454 0.085 -6.268 6.483 1.00 0.00 C ATOM 469 CD2 LEU A 454 2.028 -7.654 7.230 1.00 0.00 C ATOM 0 H LEU A 454 3.140 -8.200 4.738 1.00 0.00 H new ATOM 0 HA LEU A 454 0.743 -6.846 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 454 3.379 -6.213 5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 454 2.262 -4.896 5.227 1.00 0.00 H new ATOM 0 HG LEU A 454 1.848 -5.540 7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -0.420 -6.503 7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -0.215 -5.275 6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -0.190 -7.004 5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 454 1.496 -7.869 8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 454 1.801 -8.425 6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 454 3.101 -7.641 7.422 1.00 0.00 H new ATOM 481 N TYR A 455 3.347 -5.598 2.606 1.00 0.00 N ATOM 482 CA TYR A 455 3.727 -4.787 1.455 1.00 0.00 C ATOM 483 C TYR A 455 3.054 -5.296 0.184 1.00 0.00 C ATOM 484 O TYR A 455 2.407 -4.536 -0.535 1.00 0.00 O ATOM 485 CB TYR A 455 5.247 -4.795 1.279 1.00 0.00 C ATOM 486 CG TYR A 455 5.949 -3.685 2.026 1.00 0.00 C ATOM 487 CD1 TYR A 455 5.598 -2.355 1.826 1.00 0.00 C ATOM 488 CD2 TYR A 455 6.964 -3.964 2.933 1.00 0.00 C ATOM 489 CE1 TYR A 455 6.237 -1.337 2.506 1.00 0.00 C ATOM 490 CE2 TYR A 455 7.607 -2.953 3.619 1.00 0.00 C ATOM 491 CZ TYR A 455 7.241 -1.641 3.402 1.00 0.00 C ATOM 492 OH TYR A 455 7.880 -0.630 4.082 1.00 0.00 O ATOM 0 H TYR A 455 4.134 -5.968 3.139 1.00 0.00 H new ATOM 0 HA TYR A 455 3.394 -3.765 1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 455 5.638 -5.754 1.618 1.00 0.00 H new ATOM 0 HB3 TYR A 455 5.482 -4.712 0.218 1.00 0.00 H new ATOM 0 HD1 TYR A 455 4.812 -2.113 1.126 1.00 0.00 H new ATOM 0 HD2 TYR A 455 7.255 -4.990 3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 455 5.952 -0.309 2.337 1.00 0.00 H new ATOM 0 HE2 TYR A 455 8.392 -3.188 4.322 1.00 0.00 H new ATOM 0 HH TYR A 455 8.560 -1.013 4.674 1.00 0.00 H new ATOM 502 N GLN A 456 3.211 -6.589 -0.084 1.00 0.00 N ATOM 503 CA GLN A 456 2.618 -7.200 -1.267 1.00 0.00 C ATOM 504 C GLN A 456 1.122 -6.912 -1.338 1.00 0.00 C ATOM 505 O GLN A 456 0.602 -6.533 -2.388 1.00 0.00 O ATOM 506 CB GLN A 456 2.858 -8.711 -1.261 1.00 0.00 C ATOM 507 CG GLN A 456 4.306 -9.098 -1.519 1.00 0.00 C ATOM 508 CD GLN A 456 4.789 -8.672 -2.891 1.00 0.00 C ATOM 509 OE1 GLN A 456 3.994 -8.501 -3.816 1.00 0.00 O ATOM 510 NE2 GLN A 456 6.098 -8.498 -3.031 1.00 0.00 N ATOM 0 H GLN A 456 3.743 -7.232 0.502 1.00 0.00 H new ATOM 0 HA GLN A 456 3.095 -6.766 -2.146 1.00 0.00 H new ATOM 0 HB2 GLN A 456 2.549 -9.116 -0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 456 2.226 -9.174 -2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 456 4.940 -8.644 -0.758 1.00 0.00 H new ATOM 0 HG3 GLN A 456 4.412 -10.178 -1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 456 6.721 -8.651 -2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 456 6.481 -8.212 -3.932 1.00 0.00 H new ATOM 519 N LEU A 457 0.436 -7.094 -0.216 1.00 0.00 N ATOM 520 CA LEU A 457 -1.001 -6.853 -0.150 1.00 0.00 C ATOM 521 C LEU A 457 -1.329 -5.410 -0.521 1.00 0.00 C ATOM 522 O LEU A 457 -2.074 -5.156 -1.468 1.00 0.00 O ATOM 523 CB LEU A 457 -1.527 -7.163 1.253 1.00 0.00 C ATOM 524 CG LEU A 457 -3.038 -7.033 1.448 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.736 -8.336 1.091 1.00 0.00 C ATOM 526 CD2 LEU A 457 -3.358 -6.628 2.879 1.00 0.00 C ATOM 0 H LEU A 457 0.851 -7.408 0.661 1.00 0.00 H new ATOM 0 HA LEU A 457 -1.488 -7.513 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -1.234 -8.180 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -1.031 -6.498 1.960 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.406 -6.254 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -4.811 -8.225 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.534 -8.583 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.364 -9.135 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -4.438 -6.540 2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.977 -7.384 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -2.889 -5.669 3.099 1.00 0.00 H new ATOM 538 N PHE A 458 -0.767 -4.469 0.230 1.00 0.00 N ATOM 539 CA PHE A 458 -0.999 -3.051 -0.020 1.00 0.00 C ATOM 540 C PHE A 458 -0.249 -2.590 -1.267 1.00 0.00 C ATOM 541 O PHE A 458 -0.439 -1.469 -1.739 1.00 0.00 O ATOM 542 CB PHE A 458 -0.562 -2.220 1.188 1.00 0.00 C ATOM 543 CG PHE A 458 -1.639 -2.056 2.223 1.00 0.00 C ATOM 544 CD1 PHE A 458 -2.577 -1.043 2.110 1.00 0.00 C ATOM 545 CD2 PHE A 458 -1.711 -2.914 3.308 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.569 -0.889 3.060 1.00 0.00 C ATOM 547 CE2 PHE A 458 -2.701 -2.765 4.261 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.631 -1.751 4.137 1.00 0.00 C ATOM 0 H PHE A 458 -0.148 -4.663 1.017 1.00 0.00 H new ATOM 0 HA PHE A 458 -2.067 -2.906 -0.184 1.00 0.00 H new ATOM 0 HB2 PHE A 458 0.305 -2.692 1.649 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -0.245 -1.235 0.846 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -2.533 -0.366 1.270 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -0.986 -3.708 3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -4.295 -0.095 2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -2.747 -3.441 5.102 1.00 0.00 H new ATOM 0 HZ PHE A 458 -4.405 -1.633 4.881 1.00 0.00 H new ATOM 558 N SER A 459 0.605 -3.462 -1.793 1.00 0.00 N ATOM 559 CA SER A 459 1.387 -3.143 -2.982 1.00 0.00 C ATOM 560 C SER A 459 0.511 -2.498 -4.052 1.00 0.00 C ATOM 561 O SER A 459 0.986 -1.704 -4.863 1.00 0.00 O ATOM 562 CB SER A 459 2.045 -4.407 -3.539 1.00 0.00 C ATOM 563 OG SER A 459 3.018 -4.086 -4.518 1.00 0.00 O ATOM 0 H SER A 459 0.773 -4.394 -1.415 1.00 0.00 H new ATOM 0 HA SER A 459 2.163 -2.433 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.511 -4.966 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 459 1.285 -5.054 -3.976 1.00 0.00 H new ATOM 0 HG SER A 459 3.425 -4.910 -4.857 1.00 0.00 H new ATOM 569 N ALA A 460 -0.771 -2.847 -4.047 1.00 0.00 N ATOM 570 CA ALA A 460 -1.715 -2.302 -5.016 1.00 0.00 C ATOM 571 C ALA A 460 -1.505 -0.803 -5.202 1.00 0.00 C ATOM 572 O ALA A 460 -1.569 -0.292 -6.320 1.00 0.00 O ATOM 573 CB ALA A 460 -3.144 -2.587 -4.578 1.00 0.00 C ATOM 0 H ALA A 460 -1.180 -3.504 -3.383 1.00 0.00 H new ATOM 0 HA ALA A 460 -1.537 -2.789 -5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -3.838 -2.175 -5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.293 -3.664 -4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -3.326 -2.127 -3.607 1.00 0.00 H new ATOM 579 N PHE A 461 -1.257 -0.104 -4.100 1.00 0.00 N ATOM 580 CA PHE A 461 -1.040 1.338 -4.142 1.00 0.00 C ATOM 581 C PHE A 461 0.418 1.659 -4.460 1.00 0.00 C ATOM 582 O PHE A 461 0.710 2.433 -5.371 1.00 0.00 O ATOM 583 CB PHE A 461 -1.435 1.974 -2.808 1.00 0.00 C ATOM 584 CG PHE A 461 -2.812 1.593 -2.347 1.00 0.00 C ATOM 585 CD1 PHE A 461 -3.914 2.348 -2.714 1.00 0.00 C ATOM 586 CD2 PHE A 461 -3.006 0.479 -1.546 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.183 2.000 -2.292 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.273 0.126 -1.121 1.00 0.00 C ATOM 589 CZ PHE A 461 -5.363 0.888 -1.493 1.00 0.00 C ATOM 0 H PHE A 461 -1.201 -0.512 -3.167 1.00 0.00 H new ATOM 0 HA PHE A 461 -1.666 1.752 -4.933 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -0.712 1.681 -2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -1.379 3.059 -2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -3.780 3.219 -3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -2.158 -0.120 -1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -6.033 2.597 -2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.411 -0.746 -0.498 1.00 0.00 H new ATOM 0 HZ PHE A 461 -6.353 0.615 -1.160 1.00 0.00 H new ATOM 599 N GLY A 462 1.329 1.059 -3.701 1.00 0.00 N ATOM 600 CA GLY A 462 2.745 1.294 -3.916 1.00 0.00 C ATOM 601 C GLY A 462 3.492 1.559 -2.623 1.00 0.00 C ATOM 602 O GLY A 462 3.140 1.022 -1.574 1.00 0.00 O ATOM 0 H GLY A 462 1.112 0.414 -2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 462 3.182 0.428 -4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 462 2.871 2.145 -4.586 1.00 0.00 H new ATOM 606 N ASN A 463 4.527 2.389 -2.699 1.00 0.00 N ATOM 607 CA ASN A 463 5.327 2.723 -1.526 1.00 0.00 C ATOM 608 C ASN A 463 4.434 3.104 -0.350 1.00 0.00 C ATOM 609 O ASN A 463 3.615 4.019 -0.449 1.00 0.00 O ATOM 610 CB ASN A 463 6.285 3.872 -1.847 1.00 0.00 C ATOM 611 CG ASN A 463 7.236 3.533 -2.979 1.00 0.00 C ATOM 612 OD1 ASN A 463 7.063 3.992 -4.108 1.00 0.00 O ATOM 613 ND2 ASN A 463 8.246 2.724 -2.681 1.00 0.00 N ATOM 0 H ASN A 463 4.832 2.843 -3.560 1.00 0.00 H new ATOM 0 HA ASN A 463 5.907 1.842 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 463 5.709 4.758 -2.113 1.00 0.00 H new ATOM 0 HB3 ASN A 463 6.860 4.122 -0.955 1.00 0.00 H new ATOM 0 HD21 ASN A 463 8.917 2.459 -3.402 1.00 0.00 H new ATOM 0 HD22 ASN A 463 8.350 2.367 -1.731 1.00 0.00 H new ATOM 620 N ILE A 464 4.598 2.398 0.764 1.00 0.00 N ATOM 621 CA ILE A 464 3.808 2.663 1.960 1.00 0.00 C ATOM 622 C ILE A 464 4.667 2.575 3.216 1.00 0.00 C ATOM 623 O ILE A 464 5.866 2.306 3.142 1.00 0.00 O ATOM 624 CB ILE A 464 2.630 1.679 2.087 1.00 0.00 C ATOM 625 CG1 ILE A 464 3.147 0.263 2.350 1.00 0.00 C ATOM 626 CG2 ILE A 464 1.775 1.712 0.829 1.00 0.00 C ATOM 627 CD1 ILE A 464 2.106 -0.658 2.947 1.00 0.00 C ATOM 0 H ILE A 464 5.271 1.638 0.863 1.00 0.00 H new ATOM 0 HA ILE A 464 3.415 3.675 1.861 1.00 0.00 H new ATOM 0 HB ILE A 464 2.011 1.982 2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 464 3.505 -0.165 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 464 4.003 0.316 3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 464 0.947 1.011 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 464 1.383 2.718 0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 464 2.382 1.430 -0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 464 2.542 -1.644 3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 464 1.765 -0.253 3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 464 1.260 -0.741 2.265 1.00 0.00 H new ATOM 639 N GLN A 465 4.046 2.802 4.369 1.00 0.00 N ATOM 640 CA GLN A 465 4.754 2.747 5.642 1.00 0.00 C ATOM 641 C GLN A 465 4.067 1.786 6.606 1.00 0.00 C ATOM 642 O GLN A 465 3.068 2.133 7.237 1.00 0.00 O ATOM 643 CB GLN A 465 4.835 4.142 6.265 1.00 0.00 C ATOM 644 CG GLN A 465 5.965 4.294 7.270 1.00 0.00 C ATOM 645 CD GLN A 465 6.295 5.745 7.563 1.00 0.00 C ATOM 646 OE1 GLN A 465 5.979 6.637 6.774 1.00 0.00 O ATOM 647 NE2 GLN A 465 6.932 5.990 8.701 1.00 0.00 N ATOM 0 H GLN A 465 3.054 3.026 4.447 1.00 0.00 H new ATOM 0 HA GLN A 465 5.763 2.382 5.452 1.00 0.00 H new ATOM 0 HB2 GLN A 465 4.964 4.878 5.472 1.00 0.00 H new ATOM 0 HB3 GLN A 465 3.889 4.366 6.758 1.00 0.00 H new ATOM 0 HG2 GLN A 465 5.690 3.793 8.198 1.00 0.00 H new ATOM 0 HG3 GLN A 465 6.855 3.793 6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 465 7.175 5.221 9.325 1.00 0.00 H new ATOM 0 HE22 GLN A 465 7.179 6.947 8.951 1.00 0.00 H new ATOM 656 N ILE A 466 4.607 0.577 6.715 1.00 0.00 N ATOM 657 CA ILE A 466 4.046 -0.433 7.602 1.00 0.00 C ATOM 658 C ILE A 466 4.569 -0.267 9.025 1.00 0.00 C ATOM 659 O ILE A 466 5.725 -0.579 9.313 1.00 0.00 O ATOM 660 CB ILE A 466 4.371 -1.857 7.112 1.00 0.00 C ATOM 661 CG1 ILE A 466 3.953 -2.023 5.649 1.00 0.00 C ATOM 662 CG2 ILE A 466 3.677 -2.890 7.987 1.00 0.00 C ATOM 663 CD1 ILE A 466 4.577 -3.225 4.975 1.00 0.00 C ATOM 0 H ILE A 466 5.433 0.273 6.199 1.00 0.00 H new ATOM 0 HA ILE A 466 2.965 -0.293 7.595 1.00 0.00 H new ATOM 0 HB ILE A 466 5.447 -2.014 7.184 1.00 0.00 H new ATOM 0 HG12 ILE A 466 2.868 -2.110 5.597 1.00 0.00 H new ATOM 0 HG13 ILE A 466 4.227 -1.124 5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 466 3.916 -3.891 7.628 1.00 0.00 H new ATOM 0 HG22 ILE A 466 4.018 -2.783 9.017 1.00 0.00 H new ATOM 0 HG23 ILE A 466 2.599 -2.738 7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 466 4.236 -3.280 3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 466 5.663 -3.130 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 466 4.282 -4.132 5.503 1.00 0.00 H new ATOM 675 N SER A 467 3.710 0.225 9.912 1.00 0.00 N ATOM 676 CA SER A 467 4.086 0.435 11.305 1.00 0.00 C ATOM 677 C SER A 467 3.614 -0.726 12.176 1.00 0.00 C ATOM 678 O SER A 467 2.415 -0.981 12.293 1.00 0.00 O ATOM 679 CB SER A 467 3.495 1.748 11.822 1.00 0.00 C ATOM 680 OG SER A 467 4.390 2.827 11.612 1.00 0.00 O ATOM 0 H SER A 467 2.749 0.486 9.691 1.00 0.00 H new ATOM 0 HA SER A 467 5.173 0.488 11.358 1.00 0.00 H new ATOM 0 HB2 SER A 467 2.551 1.950 11.315 1.00 0.00 H new ATOM 0 HB3 SER A 467 3.273 1.657 12.885 1.00 0.00 H new ATOM 0 HG SER A 467 3.989 3.655 11.949 1.00 0.00 H new ATOM 686 N TRP A 468 4.565 -1.425 12.784 1.00 0.00 N ATOM 687 CA TRP A 468 4.247 -2.559 13.645 1.00 0.00 C ATOM 688 C TRP A 468 3.885 -2.092 15.050 1.00 0.00 C ATOM 689 O TRP A 468 4.739 -1.602 15.790 1.00 0.00 O ATOM 690 CB TRP A 468 5.430 -3.527 13.705 1.00 0.00 C ATOM 691 CG TRP A 468 5.744 -4.163 12.385 1.00 0.00 C ATOM 692 CD1 TRP A 468 6.472 -3.620 11.365 1.00 0.00 C ATOM 693 CD2 TRP A 468 5.339 -5.463 11.942 1.00 0.00 C ATOM 694 NE1 TRP A 468 6.544 -4.503 10.315 1.00 0.00 N ATOM 695 CE2 TRP A 468 5.857 -5.642 10.644 1.00 0.00 C ATOM 696 CE3 TRP A 468 4.590 -6.494 12.516 1.00 0.00 C ATOM 697 CZ2 TRP A 468 5.648 -6.808 9.914 1.00 0.00 C ATOM 698 CZ3 TRP A 468 4.383 -7.651 11.789 1.00 0.00 C ATOM 699 CH2 TRP A 468 4.911 -7.801 10.500 1.00 0.00 C ATOM 0 H TRP A 468 5.562 -1.227 12.697 1.00 0.00 H new ATOM 0 HA TRP A 468 3.385 -3.074 13.221 1.00 0.00 H new ATOM 0 HB2 TRP A 468 6.310 -2.992 14.061 1.00 0.00 H new ATOM 0 HB3 TRP A 468 5.215 -4.308 14.434 1.00 0.00 H new ATOM 0 HD1 TRP A 468 6.925 -2.640 11.381 1.00 0.00 H new ATOM 0 HE1 TRP A 468 7.030 -4.338 9.434 1.00 0.00 H new ATOM 0 HE3 TRP A 468 4.180 -6.388 13.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 6.053 -6.925 8.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 3.804 -8.453 12.222 1.00 0.00 H new ATOM 0 HH2 TRP A 468 4.733 -8.718 9.958 1.00 0.00 H new ATOM 710 N ILE A 469 2.616 -2.245 15.411 1.00 0.00 N ATOM 711 CA ILE A 469 2.142 -1.840 16.729 1.00 0.00 C ATOM 712 C ILE A 469 2.265 -2.981 17.733 1.00 0.00 C ATOM 713 O ILE A 469 3.018 -2.890 18.703 1.00 0.00 O ATOM 714 CB ILE A 469 0.677 -1.369 16.681 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.456 -0.437 15.487 1.00 0.00 C ATOM 716 CG2 ILE A 469 0.301 -0.673 17.980 1.00 0.00 C ATOM 717 CD1 ILE A 469 -0.944 -0.503 14.920 1.00 0.00 C ATOM 0 H ILE A 469 1.897 -2.647 14.809 1.00 0.00 H new ATOM 0 HA ILE A 469 2.772 -1.009 17.048 1.00 0.00 H new ATOM 0 HB ILE A 469 0.035 -2.241 16.560 1.00 0.00 H new ATOM 0 HG12 ILE A 469 0.668 0.588 15.792 1.00 0.00 H new ATOM 0 HG13 ILE A 469 1.169 -0.690 14.702 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.738 -0.346 17.930 1.00 0.00 H new ATOM 0 HG22 ILE A 469 0.424 -1.366 18.813 1.00 0.00 H new ATOM 0 HG23 ILE A 469 0.947 0.192 18.129 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -1.028 0.183 14.077 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -1.153 -1.518 14.583 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -1.662 -0.221 15.690 1.00 0.00 H new ATOM 729 N ASP A 470 1.523 -4.056 17.492 1.00 0.00 N ATOM 730 CA ASP A 470 1.551 -5.217 18.373 1.00 0.00 C ATOM 731 C ASP A 470 1.809 -6.495 17.580 1.00 0.00 C ATOM 732 O ASP A 470 2.017 -6.453 16.367 1.00 0.00 O ATOM 733 CB ASP A 470 0.232 -5.335 19.139 1.00 0.00 C ATOM 734 CG ASP A 470 0.373 -6.142 20.415 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.430 -6.033 21.072 1.00 0.00 O ATOM 736 OD2 ASP A 470 -0.573 -6.881 20.756 1.00 0.00 O ATOM 0 H ASP A 470 0.895 -4.147 16.694 1.00 0.00 H new ATOM 0 HA ASP A 470 2.365 -5.082 19.085 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -0.134 -4.337 19.382 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -0.516 -5.802 18.498 1.00 0.00 H new ATOM 741 N ASP A 471 1.795 -7.628 18.273 1.00 0.00 N ATOM 742 CA ASP A 471 2.028 -8.918 17.634 1.00 0.00 C ATOM 743 C ASP A 471 1.049 -9.140 16.485 1.00 0.00 C ATOM 744 O ASP A 471 1.419 -9.655 15.430 1.00 0.00 O ATOM 745 CB ASP A 471 1.898 -10.048 18.656 1.00 0.00 C ATOM 746 CG ASP A 471 2.809 -9.855 19.853 1.00 0.00 C ATOM 747 OD1 ASP A 471 3.959 -9.407 19.657 1.00 0.00 O ATOM 748 OD2 ASP A 471 2.372 -10.150 20.984 1.00 0.00 O ATOM 0 H ASP A 471 1.625 -7.680 19.277 1.00 0.00 H new ATOM 0 HA ASP A 471 3.040 -8.918 17.230 1.00 0.00 H new ATOM 0 HB2 ASP A 471 0.864 -10.109 18.996 1.00 0.00 H new ATOM 0 HB3 ASP A 471 2.132 -10.998 18.175 1.00 0.00 H new ATOM 753 N THR A 472 -0.203 -8.748 16.697 1.00 0.00 N ATOM 754 CA THR A 472 -1.236 -8.905 15.681 1.00 0.00 C ATOM 755 C THR A 472 -1.846 -7.560 15.304 1.00 0.00 C ATOM 756 O THR A 472 -2.951 -7.498 14.765 1.00 0.00 O ATOM 757 CB THR A 472 -2.356 -9.848 16.160 1.00 0.00 C ATOM 758 OG1 THR A 472 -2.870 -9.399 17.419 1.00 0.00 O ATOM 759 CG2 THR A 472 -1.842 -11.274 16.296 1.00 0.00 C ATOM 0 H THR A 472 -0.526 -8.319 17.564 1.00 0.00 H new ATOM 0 HA THR A 472 -0.754 -9.340 14.805 1.00 0.00 H new ATOM 0 HB THR A 472 -3.153 -9.835 15.417 1.00 0.00 H new ATOM 0 HG1 THR A 472 -3.583 -10.003 17.716 1.00 0.00 H new ATOM 0 HG21 THR A 472 -2.651 -11.921 16.635 1.00 0.00 H new ATOM 0 HG22 THR A 472 -1.479 -11.624 15.330 1.00 0.00 H new ATOM 0 HG23 THR A 472 -1.028 -11.300 17.021 1.00 0.00 H new ATOM 767 N SER A 473 -1.119 -6.485 15.590 1.00 0.00 N ATOM 768 CA SER A 473 -1.591 -5.139 15.284 1.00 0.00 C ATOM 769 C SER A 473 -0.572 -4.387 14.434 1.00 0.00 C ATOM 770 O SER A 473 0.625 -4.408 14.717 1.00 0.00 O ATOM 771 CB SER A 473 -1.866 -4.366 16.575 1.00 0.00 C ATOM 772 OG SER A 473 -2.784 -3.310 16.351 1.00 0.00 O ATOM 0 H SER A 473 -0.201 -6.519 16.033 1.00 0.00 H new ATOM 0 HA SER A 473 -2.518 -5.225 14.717 1.00 0.00 H new ATOM 0 HB2 SER A 473 -2.264 -5.044 17.331 1.00 0.00 H new ATOM 0 HB3 SER A 473 -0.932 -3.963 16.967 1.00 0.00 H new ATOM 0 HG SER A 473 -2.945 -2.832 17.192 1.00 0.00 H new ATOM 778 N ALA A 474 -1.057 -3.722 13.390 1.00 0.00 N ATOM 779 CA ALA A 474 -0.190 -2.961 12.499 1.00 0.00 C ATOM 780 C ALA A 474 -0.867 -1.672 12.044 1.00 0.00 C ATOM 781 O ALA A 474 -2.017 -1.406 12.394 1.00 0.00 O ATOM 782 CB ALA A 474 0.204 -3.806 11.297 1.00 0.00 C ATOM 0 H ALA A 474 -2.046 -3.695 13.141 1.00 0.00 H new ATOM 0 HA ALA A 474 0.711 -2.692 13.050 1.00 0.00 H new ATOM 0 HB1 ALA A 474 0.851 -3.225 10.640 1.00 0.00 H new ATOM 0 HB2 ALA A 474 0.735 -4.695 11.636 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -0.692 -4.104 10.752 1.00 0.00 H new ATOM 788 N PHE A 475 -0.146 -0.876 11.262 1.00 0.00 N ATOM 789 CA PHE A 475 -0.676 0.386 10.759 1.00 0.00 C ATOM 790 C PHE A 475 -0.286 0.598 9.300 1.00 0.00 C ATOM 791 O PHE A 475 0.775 0.154 8.858 1.00 0.00 O ATOM 792 CB PHE A 475 -0.168 1.552 11.609 1.00 0.00 C ATOM 793 CG PHE A 475 -1.083 1.910 12.745 1.00 0.00 C ATOM 794 CD1 PHE A 475 -2.449 2.019 12.544 1.00 0.00 C ATOM 795 CD2 PHE A 475 -0.576 2.138 14.015 1.00 0.00 C ATOM 796 CE1 PHE A 475 -3.294 2.347 13.587 1.00 0.00 C ATOM 797 CE2 PHE A 475 -1.417 2.467 15.062 1.00 0.00 C ATOM 798 CZ PHE A 475 -2.777 2.573 14.848 1.00 0.00 C ATOM 0 H PHE A 475 0.807 -1.082 10.963 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.763 0.345 10.823 1.00 0.00 H new ATOM 0 HB2 PHE A 475 0.813 1.298 12.010 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -0.036 2.426 10.971 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -2.859 1.846 11.560 1.00 0.00 H new ATOM 0 HD2 PHE A 475 0.487 2.058 14.188 1.00 0.00 H new ATOM 0 HE1 PHE A 475 -4.357 2.427 13.417 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -1.010 2.641 16.047 1.00 0.00 H new ATOM 0 HZ PHE A 475 -3.435 2.832 15.664 1.00 0.00 H new ATOM 808 N VAL A 476 -1.151 1.279 8.554 1.00 0.00 N ATOM 809 CA VAL A 476 -0.897 1.551 7.145 1.00 0.00 C ATOM 810 C VAL A 476 -1.289 2.978 6.781 1.00 0.00 C ATOM 811 O VAL A 476 -2.473 3.305 6.693 1.00 0.00 O ATOM 812 CB VAL A 476 -1.666 0.572 6.237 1.00 0.00 C ATOM 813 CG1 VAL A 476 -1.436 0.909 4.772 1.00 0.00 C ATOM 814 CG2 VAL A 476 -1.255 -0.863 6.533 1.00 0.00 C ATOM 0 H VAL A 476 -2.034 1.652 8.903 1.00 0.00 H new ATOM 0 HA VAL A 476 0.173 1.419 6.985 1.00 0.00 H new ATOM 0 HB VAL A 476 -2.731 0.672 6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -1.987 0.207 4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -1.784 1.923 4.573 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.372 0.839 4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -1.808 -1.541 5.883 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -0.186 -0.980 6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -1.476 -1.097 7.574 1.00 0.00 H new ATOM 824 N SER A 477 -0.287 3.826 6.569 1.00 0.00 N ATOM 825 CA SER A 477 -0.527 5.221 6.218 1.00 0.00 C ATOM 826 C SER A 477 -0.396 5.432 4.713 1.00 0.00 C ATOM 827 O SER A 477 0.592 5.024 4.100 1.00 0.00 O ATOM 828 CB SER A 477 0.453 6.131 6.960 1.00 0.00 C ATOM 829 OG SER A 477 0.331 5.975 8.363 1.00 0.00 O ATOM 0 H SER A 477 0.698 3.571 6.634 1.00 0.00 H new ATOM 0 HA SER A 477 -1.544 5.476 6.516 1.00 0.00 H new ATOM 0 HB2 SER A 477 1.473 5.900 6.653 1.00 0.00 H new ATOM 0 HB3 SER A 477 0.266 7.170 6.689 1.00 0.00 H new ATOM 0 HG SER A 477 0.969 6.566 8.815 1.00 0.00 H new ATOM 835 N LEU A 478 -1.399 6.072 4.122 1.00 0.00 N ATOM 836 CA LEU A 478 -1.397 6.339 2.687 1.00 0.00 C ATOM 837 C LEU A 478 -1.145 7.817 2.409 1.00 0.00 C ATOM 838 O LEU A 478 -1.068 8.629 3.331 1.00 0.00 O ATOM 839 CB LEU A 478 -2.728 5.911 2.067 1.00 0.00 C ATOM 840 CG LEU A 478 -3.122 4.447 2.267 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.555 4.213 1.814 1.00 0.00 C ATOM 842 CD2 LEU A 478 -2.167 3.531 1.516 1.00 0.00 C ATOM 0 H LEU A 478 -2.224 6.416 4.614 1.00 0.00 H new ATOM 0 HA LEU A 478 -0.591 5.761 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -3.517 6.539 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -2.689 6.113 0.997 1.00 0.00 H new ATOM 0 HG LEU A 478 -3.056 4.215 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.818 3.166 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -5.228 4.843 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.648 4.463 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -2.462 2.493 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -2.200 3.764 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -1.153 3.679 1.888 1.00 0.00 H new ATOM 854 N SER A 479 -1.019 8.160 1.131 1.00 0.00 N ATOM 855 CA SER A 479 -0.774 9.541 0.730 1.00 0.00 C ATOM 856 C SER A 479 -2.086 10.307 0.594 1.00 0.00 C ATOM 857 O SER A 479 -2.204 11.443 1.054 1.00 0.00 O ATOM 858 CB SER A 479 -0.006 9.582 -0.592 1.00 0.00 C ATOM 859 OG SER A 479 1.246 8.929 -0.475 1.00 0.00 O ATOM 0 H SER A 479 -1.082 7.501 0.355 1.00 0.00 H new ATOM 0 HA SER A 479 -0.174 10.018 1.505 1.00 0.00 H new ATOM 0 HB2 SER A 479 -0.597 9.105 -1.374 1.00 0.00 H new ATOM 0 HB3 SER A 479 0.147 10.618 -0.895 1.00 0.00 H new ATOM 0 HG SER A 479 1.717 8.968 -1.334 1.00 0.00 H new ATOM 865 N GLN A 480 -3.069 9.678 -0.042 1.00 0.00 N ATOM 866 CA GLN A 480 -4.372 10.301 -0.241 1.00 0.00 C ATOM 867 C GLN A 480 -5.476 9.472 0.408 1.00 0.00 C ATOM 868 O GLN A 480 -5.365 8.254 0.556 1.00 0.00 O ATOM 869 CB GLN A 480 -4.657 10.472 -1.734 1.00 0.00 C ATOM 870 CG GLN A 480 -4.100 11.762 -2.315 1.00 0.00 C ATOM 871 CD GLN A 480 -4.736 12.998 -1.708 1.00 0.00 C ATOM 872 OE1 GLN A 480 -4.260 13.524 -0.702 1.00 0.00 O ATOM 873 NE2 GLN A 480 -5.817 13.468 -2.319 1.00 0.00 N ATOM 0 H GLN A 480 -2.988 8.737 -0.428 1.00 0.00 H new ATOM 0 HA GLN A 480 -4.353 11.283 0.232 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -4.233 9.626 -2.276 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -5.735 10.446 -1.895 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -3.023 11.795 -2.151 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -4.259 11.769 -3.393 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -6.177 13.000 -3.151 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -6.288 14.297 -1.957 1.00 0.00 H new ATOM 882 N PRO A 481 -6.567 10.144 0.804 1.00 0.00 N ATOM 883 CA PRO A 481 -7.712 9.489 1.442 1.00 0.00 C ATOM 884 C PRO A 481 -8.489 8.605 0.473 1.00 0.00 C ATOM 885 O PRO A 481 -8.883 7.490 0.815 1.00 0.00 O ATOM 886 CB PRO A 481 -8.578 10.663 1.907 1.00 0.00 C ATOM 887 CG PRO A 481 -8.220 11.783 0.993 1.00 0.00 C ATOM 888 CD PRO A 481 -6.766 11.596 0.658 1.00 0.00 C ATOM 0 HA PRO A 481 -7.403 8.823 2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -9.639 10.422 1.842 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -8.373 10.919 2.946 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -8.834 11.763 0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -8.389 12.747 1.472 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -6.540 11.933 -0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -6.122 12.160 1.333 1.00 0.00 H new ATOM 896 N GLU A 482 -8.705 9.109 -0.738 1.00 0.00 N ATOM 897 CA GLU A 482 -9.436 8.364 -1.756 1.00 0.00 C ATOM 898 C GLU A 482 -9.129 6.872 -1.663 1.00 0.00 C ATOM 899 O GLU A 482 -10.038 6.045 -1.599 1.00 0.00 O ATOM 900 CB GLU A 482 -9.082 8.882 -3.151 1.00 0.00 C ATOM 901 CG GLU A 482 -9.701 10.232 -3.474 1.00 0.00 C ATOM 902 CD GLU A 482 -8.811 11.393 -3.074 1.00 0.00 C ATOM 903 OE1 GLU A 482 -7.768 11.595 -3.730 1.00 0.00 O ATOM 904 OE2 GLU A 482 -9.159 12.099 -2.104 1.00 0.00 O ATOM 0 H GLU A 482 -8.384 10.030 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 482 -10.502 8.510 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -7.998 8.959 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -9.410 8.154 -3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -9.905 10.287 -4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -10.659 10.320 -2.962 1.00 0.00 H new ATOM 911 N GLN A 483 -7.843 6.538 -1.656 1.00 0.00 N ATOM 912 CA GLN A 483 -7.417 5.146 -1.573 1.00 0.00 C ATOM 913 C GLN A 483 -8.115 4.431 -0.421 1.00 0.00 C ATOM 914 O GLN A 483 -8.611 3.315 -0.579 1.00 0.00 O ATOM 915 CB GLN A 483 -5.900 5.065 -1.393 1.00 0.00 C ATOM 916 CG GLN A 483 -5.119 5.399 -2.655 1.00 0.00 C ATOM 917 CD GLN A 483 -3.639 5.589 -2.392 1.00 0.00 C ATOM 918 OE1 GLN A 483 -3.228 5.876 -1.267 1.00 0.00 O ATOM 919 NE2 GLN A 483 -2.827 5.429 -3.431 1.00 0.00 N ATOM 0 H GLN A 483 -7.079 7.211 -1.707 1.00 0.00 H new ATOM 0 HA GLN A 483 -7.693 4.652 -2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.600 5.748 -0.598 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.634 4.060 -1.067 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -5.255 4.600 -3.384 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -5.525 6.308 -3.099 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -3.210 5.191 -4.346 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -1.820 5.544 -3.314 1.00 0.00 H new ATOM 928 N VAL A 484 -8.150 5.080 0.738 1.00 0.00 N ATOM 929 CA VAL A 484 -8.789 4.507 1.917 1.00 0.00 C ATOM 930 C VAL A 484 -10.007 3.674 1.532 1.00 0.00 C ATOM 931 O VAL A 484 -10.115 2.507 1.906 1.00 0.00 O ATOM 932 CB VAL A 484 -9.223 5.602 2.909 1.00 0.00 C ATOM 933 CG1 VAL A 484 -9.979 4.994 4.080 1.00 0.00 C ATOM 934 CG2 VAL A 484 -8.015 6.389 3.396 1.00 0.00 C ATOM 0 H VAL A 484 -7.743 6.004 0.886 1.00 0.00 H new ATOM 0 HA VAL A 484 -8.050 3.865 2.397 1.00 0.00 H new ATOM 0 HB VAL A 484 -9.893 6.290 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 484 -10.277 5.783 4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 484 -10.867 4.479 3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 484 -9.336 4.283 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -8.340 7.159 4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -7.319 5.715 3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -7.519 6.858 2.546 1.00 0.00 H new ATOM 944 N GLN A 485 -10.920 4.283 0.782 1.00 0.00 N ATOM 945 CA GLN A 485 -12.131 3.597 0.347 1.00 0.00 C ATOM 946 C GLN A 485 -11.795 2.257 -0.298 1.00 0.00 C ATOM 947 O GLN A 485 -12.239 1.206 0.165 1.00 0.00 O ATOM 948 CB GLN A 485 -12.910 4.470 -0.638 1.00 0.00 C ATOM 949 CG GLN A 485 -14.406 4.199 -0.640 1.00 0.00 C ATOM 950 CD GLN A 485 -14.731 2.718 -0.610 1.00 0.00 C ATOM 951 OE1 GLN A 485 -14.774 2.145 0.587 1.00 0.00 O flip ATOM 952 NE2 GLN A 485 -14.941 2.096 -1.652 1.00 0.00 N flip ATOM 0 H GLN A 485 -10.844 5.249 0.463 1.00 0.00 H new ATOM 0 HA GLN A 485 -12.750 3.412 1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 485 -12.740 5.519 -0.395 1.00 0.00 H new ATOM 0 HB3 GLN A 485 -12.519 4.308 -1.642 1.00 0.00 H new ATOM 0 HG2 GLN A 485 -14.860 4.684 0.224 1.00 0.00 H new ATOM 0 HG3 GLN A 485 -14.851 4.647 -1.528 1.00 0.00 H new ATOM 0 HE21 GLN A 485 -14.898 2.577 -2.551 1.00 0.00 H new ATOM 0 HE22 GLN A 485 -15.158 1.100 -1.616 1.00 0.00 H new ATOM 961 N ILE A 486 -11.008 2.301 -1.369 1.00 0.00 N ATOM 962 CA ILE A 486 -10.613 1.090 -2.076 1.00 0.00 C ATOM 963 C ILE A 486 -9.995 0.073 -1.123 1.00 0.00 C ATOM 964 O ILE A 486 -10.320 -1.113 -1.167 1.00 0.00 O ATOM 965 CB ILE A 486 -9.608 1.398 -3.202 1.00 0.00 C ATOM 966 CG1 ILE A 486 -10.289 2.190 -4.320 1.00 0.00 C ATOM 967 CG2 ILE A 486 -9.010 0.110 -3.746 1.00 0.00 C ATOM 968 CD1 ILE A 486 -10.233 3.689 -4.120 1.00 0.00 C ATOM 0 H ILE A 486 -10.632 3.162 -1.765 1.00 0.00 H new ATOM 0 HA ILE A 486 -11.519 0.671 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 486 -8.801 2.005 -2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -9.817 1.941 -5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -11.332 1.880 -4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -8.302 0.345 -4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -8.494 -0.418 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -9.805 -0.521 -4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -10.735 4.186 -4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -10.731 3.950 -3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -9.193 4.012 -4.079 1.00 0.00 H new ATOM 980 N ALA A 487 -9.102 0.547 -0.259 1.00 0.00 N ATOM 981 CA ALA A 487 -8.441 -0.320 0.708 1.00 0.00 C ATOM 982 C ALA A 487 -9.460 -1.097 1.535 1.00 0.00 C ATOM 983 O ALA A 487 -9.294 -2.292 1.780 1.00 0.00 O ATOM 984 CB ALA A 487 -7.534 0.497 1.616 1.00 0.00 C ATOM 0 H ALA A 487 -8.820 1.526 -0.210 1.00 0.00 H new ATOM 0 HA ALA A 487 -7.834 -1.039 0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -7.047 -0.163 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -6.777 1.002 1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -8.127 1.239 2.151 1.00 0.00 H new ATOM 990 N VAL A 488 -10.514 -0.410 1.965 1.00 0.00 N ATOM 991 CA VAL A 488 -11.560 -1.036 2.765 1.00 0.00 C ATOM 992 C VAL A 488 -12.433 -1.948 1.910 1.00 0.00 C ATOM 993 O VAL A 488 -12.678 -3.100 2.265 1.00 0.00 O ATOM 994 CB VAL A 488 -12.451 0.018 3.447 1.00 0.00 C ATOM 995 CG1 VAL A 488 -13.556 -0.654 4.247 1.00 0.00 C ATOM 996 CG2 VAL A 488 -11.615 0.927 4.336 1.00 0.00 C ATOM 0 H VAL A 488 -10.666 0.580 1.773 1.00 0.00 H new ATOM 0 HA VAL A 488 -11.061 -1.629 3.531 1.00 0.00 H new ATOM 0 HB VAL A 488 -12.916 0.631 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 488 -14.176 0.107 4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 488 -14.171 -1.259 3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 488 -13.114 -1.292 5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 488 -12.261 1.666 4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 488 -11.121 0.331 5.103 1.00 0.00 H new ATOM 0 HG23 VAL A 488 -10.864 1.436 3.732 1.00 0.00 H new ATOM 1006 N ASN A 489 -12.901 -1.423 0.782 1.00 0.00 N ATOM 1007 CA ASN A 489 -13.748 -2.190 -0.124 1.00 0.00 C ATOM 1008 C ASN A 489 -13.251 -3.627 -0.248 1.00 0.00 C ATOM 1009 O ASN A 489 -14.043 -4.571 -0.266 1.00 0.00 O ATOM 1010 CB ASN A 489 -13.783 -1.530 -1.504 1.00 0.00 C ATOM 1011 CG ASN A 489 -14.440 -2.411 -2.550 1.00 0.00 C ATOM 1012 OD1 ASN A 489 -15.044 -3.433 -2.225 1.00 0.00 O ATOM 1013 ND2 ASN A 489 -14.324 -2.016 -3.812 1.00 0.00 N ATOM 0 H ASN A 489 -12.708 -0.470 0.474 1.00 0.00 H new ATOM 0 HA ASN A 489 -14.757 -2.208 0.289 1.00 0.00 H new ATOM 0 HB2 ASN A 489 -14.322 -0.585 -1.438 1.00 0.00 H new ATOM 0 HB3 ASN A 489 -12.766 -1.295 -1.817 1.00 0.00 H new ATOM 0 HD21 ASN A 489 -14.745 -2.567 -4.560 1.00 0.00 H new ATOM 0 HD22 ASN A 489 -13.814 -1.161 -4.034 1.00 0.00 H new ATOM 1020 N THR A 490 -11.934 -3.787 -0.332 1.00 0.00 N ATOM 1021 CA THR A 490 -11.331 -5.108 -0.455 1.00 0.00 C ATOM 1022 C THR A 490 -11.450 -5.890 0.849 1.00 0.00 C ATOM 1023 O THR A 490 -11.770 -7.079 0.844 1.00 0.00 O ATOM 1024 CB THR A 490 -9.845 -5.013 -0.849 1.00 0.00 C ATOM 1025 OG1 THR A 490 -9.162 -4.110 0.027 1.00 0.00 O ATOM 1026 CG2 THR A 490 -9.696 -4.542 -2.288 1.00 0.00 C ATOM 0 H THR A 490 -11.265 -3.018 -0.317 1.00 0.00 H new ATOM 0 HA THR A 490 -11.875 -5.632 -1.241 1.00 0.00 H new ATOM 0 HB THR A 490 -9.405 -6.006 -0.761 1.00 0.00 H new ATOM 0 HG1 THR A 490 -9.817 -3.617 0.564 1.00 0.00 H new ATOM 0 HG21 THR A 490 -8.638 -4.483 -2.544 1.00 0.00 H new ATOM 0 HG22 THR A 490 -10.191 -5.248 -2.955 1.00 0.00 H new ATOM 0 HG23 THR A 490 -10.152 -3.558 -2.398 1.00 0.00 H new ATOM 1034 N SER A 491 -11.190 -5.215 1.964 1.00 0.00 N ATOM 1035 CA SER A 491 -11.265 -5.848 3.276 1.00 0.00 C ATOM 1036 C SER A 491 -12.670 -6.381 3.542 1.00 0.00 C ATOM 1037 O SER A 491 -12.842 -7.420 4.180 1.00 0.00 O ATOM 1038 CB SER A 491 -10.869 -4.853 4.369 1.00 0.00 C ATOM 1039 OG SER A 491 -11.877 -3.875 4.558 1.00 0.00 O ATOM 0 H SER A 491 -10.926 -4.230 1.985 1.00 0.00 H new ATOM 0 HA SER A 491 -10.569 -6.686 3.288 1.00 0.00 H new ATOM 0 HB2 SER A 491 -10.695 -5.385 5.304 1.00 0.00 H new ATOM 0 HB3 SER A 491 -9.932 -4.366 4.100 1.00 0.00 H new ATOM 0 HG SER A 491 -12.175 -3.540 3.687 1.00 0.00 H new ATOM 1045 N LYS A 492 -13.672 -5.662 3.048 1.00 0.00 N ATOM 1046 CA LYS A 492 -15.063 -6.061 3.230 1.00 0.00 C ATOM 1047 C LYS A 492 -15.233 -7.560 3.001 1.00 0.00 C ATOM 1048 O LYS A 492 -15.580 -8.302 3.920 1.00 0.00 O ATOM 1049 CB LYS A 492 -15.968 -5.282 2.273 1.00 0.00 C ATOM 1050 CG LYS A 492 -15.889 -3.776 2.452 1.00 0.00 C ATOM 1051 CD LYS A 492 -16.885 -3.056 1.559 1.00 0.00 C ATOM 1052 CE LYS A 492 -18.293 -3.117 2.131 1.00 0.00 C ATOM 1053 NZ LYS A 492 -18.451 -2.227 3.314 1.00 0.00 N ATOM 0 H LYS A 492 -13.547 -4.799 2.518 1.00 0.00 H new ATOM 0 HA LYS A 492 -15.349 -5.833 4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -15.699 -5.532 1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -16.999 -5.603 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -16.083 -3.522 3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -14.880 -3.434 2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -16.584 -2.015 1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -16.875 -3.505 0.566 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -19.010 -2.829 1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -18.525 -4.143 2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -19.462 -2.111 3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -17.969 -2.649 4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -18.033 -1.298 3.108 1.00 0.00 H new ATOM 1067 N TYR A 493 -14.986 -7.998 1.772 1.00 0.00 N ATOM 1068 CA TYR A 493 -15.113 -9.408 1.423 1.00 0.00 C ATOM 1069 C TYR A 493 -13.991 -10.228 2.052 1.00 0.00 C ATOM 1070 O TYR A 493 -14.215 -11.334 2.542 1.00 0.00 O ATOM 1071 CB TYR A 493 -15.097 -9.582 -0.097 1.00 0.00 C ATOM 1072 CG TYR A 493 -13.710 -9.536 -0.697 1.00 0.00 C ATOM 1073 CD1 TYR A 493 -12.908 -10.671 -0.730 1.00 0.00 C ATOM 1074 CD2 TYR A 493 -13.200 -8.359 -1.230 1.00 0.00 C ATOM 1075 CE1 TYR A 493 -11.640 -10.634 -1.277 1.00 0.00 C ATOM 1076 CE2 TYR A 493 -11.934 -8.313 -1.780 1.00 0.00 C ATOM 1077 CZ TYR A 493 -11.158 -9.453 -1.801 1.00 0.00 C ATOM 1078 OH TYR A 493 -9.895 -9.411 -2.347 1.00 0.00 O ATOM 0 H TYR A 493 -14.697 -7.397 1.000 1.00 0.00 H new ATOM 0 HA TYR A 493 -16.065 -9.769 1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 493 -15.562 -10.535 -0.350 1.00 0.00 H new ATOM 0 HB3 TYR A 493 -15.706 -8.800 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 493 -13.283 -11.598 -0.321 1.00 0.00 H new ATOM 0 HD2 TYR A 493 -13.804 -7.464 -1.214 1.00 0.00 H new ATOM 0 HE1 TYR A 493 -11.030 -11.525 -1.294 1.00 0.00 H new ATOM 0 HE2 TYR A 493 -11.554 -7.390 -2.191 1.00 0.00 H new ATOM 0 HH TYR A 493 -9.709 -8.505 -2.672 1.00 0.00 H new ATOM 1088 N ALA A 494 -12.782 -9.676 2.034 1.00 0.00 N ATOM 1089 CA ALA A 494 -11.624 -10.354 2.604 1.00 0.00 C ATOM 1090 C ALA A 494 -11.899 -10.799 4.037 1.00 0.00 C ATOM 1091 O ALA A 494 -12.205 -9.979 4.902 1.00 0.00 O ATOM 1092 CB ALA A 494 -10.404 -9.446 2.557 1.00 0.00 C ATOM 0 H ALA A 494 -12.579 -8.761 1.631 1.00 0.00 H new ATOM 0 HA ALA A 494 -11.425 -11.243 2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -9.547 -9.965 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -10.187 -9.181 1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -10.603 -8.540 3.129 1.00 0.00 H new ATOM 1098 N GLU A 495 -11.788 -12.101 4.279 1.00 0.00 N ATOM 1099 CA GLU A 495 -12.027 -12.654 5.607 1.00 0.00 C ATOM 1100 C GLU A 495 -10.711 -12.898 6.339 1.00 0.00 C ATOM 1101 O GLU A 495 -10.588 -12.611 7.530 1.00 0.00 O ATOM 1102 CB GLU A 495 -12.817 -13.960 5.506 1.00 0.00 C ATOM 1103 CG GLU A 495 -12.102 -15.044 4.716 1.00 0.00 C ATOM 1104 CD GLU A 495 -13.013 -16.202 4.359 1.00 0.00 C ATOM 1105 OE1 GLU A 495 -14.002 -15.976 3.630 1.00 0.00 O ATOM 1106 OE2 GLU A 495 -12.738 -17.335 4.807 1.00 0.00 O ATOM 0 H GLU A 495 -11.534 -12.792 3.573 1.00 0.00 H new ATOM 0 HA GLU A 495 -12.610 -11.929 6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 495 -13.022 -14.330 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 495 -13.780 -13.757 5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 495 -11.693 -14.613 3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 495 -11.259 -15.416 5.298 1.00 0.00 H new ATOM 1113 N SER A 496 -9.729 -13.430 5.618 1.00 0.00 N ATOM 1114 CA SER A 496 -8.423 -13.718 6.199 1.00 0.00 C ATOM 1115 C SER A 496 -7.915 -12.529 7.010 1.00 0.00 C ATOM 1116 O SER A 496 -7.475 -12.683 8.150 1.00 0.00 O ATOM 1117 CB SER A 496 -7.417 -14.066 5.100 1.00 0.00 C ATOM 1118 OG SER A 496 -6.235 -14.623 5.648 1.00 0.00 O ATOM 0 H SER A 496 -9.813 -13.670 4.630 1.00 0.00 H new ATOM 0 HA SER A 496 -8.531 -14.573 6.867 1.00 0.00 H new ATOM 0 HB2 SER A 496 -7.866 -14.773 4.402 1.00 0.00 H new ATOM 0 HB3 SER A 496 -7.170 -13.169 4.531 1.00 0.00 H new ATOM 0 HG SER A 496 -5.609 -14.838 4.925 1.00 0.00 H new ATOM 1124 N TYR A 497 -7.980 -11.344 6.414 1.00 0.00 N ATOM 1125 CA TYR A 497 -7.526 -10.128 7.079 1.00 0.00 C ATOM 1126 C TYR A 497 -8.686 -9.163 7.301 1.00 0.00 C ATOM 1127 O TYR A 497 -9.724 -9.261 6.647 1.00 0.00 O ATOM 1128 CB TYR A 497 -6.433 -9.448 6.252 1.00 0.00 C ATOM 1129 CG TYR A 497 -6.913 -8.948 4.908 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -7.564 -7.725 4.793 1.00 0.00 C ATOM 1131 CD2 TYR A 497 -6.718 -9.697 3.755 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -8.005 -7.264 3.568 1.00 0.00 C ATOM 1133 CE2 TYR A 497 -7.154 -9.243 2.526 1.00 0.00 C ATOM 1134 CZ TYR A 497 -7.797 -8.026 2.437 1.00 0.00 C ATOM 1135 OH TYR A 497 -8.235 -7.571 1.214 1.00 0.00 O ATOM 0 H TYR A 497 -8.343 -11.199 5.472 1.00 0.00 H new ATOM 0 HA TYR A 497 -7.118 -10.406 8.051 1.00 0.00 H new ATOM 0 HB2 TYR A 497 -6.029 -8.609 6.819 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -5.615 -10.152 6.097 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -7.728 -7.125 5.676 1.00 0.00 H new ATOM 0 HD2 TYR A 497 -6.217 -10.651 3.821 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -8.510 -6.312 3.496 1.00 0.00 H new ATOM 0 HE2 TYR A 497 -6.992 -9.838 1.639 1.00 0.00 H new ATOM 0 HH TYR A 497 -8.009 -8.226 0.521 1.00 0.00 H new ATOM 1145 N ARG A 498 -8.500 -8.229 8.229 1.00 0.00 N ATOM 1146 CA ARG A 498 -9.530 -7.246 8.540 1.00 0.00 C ATOM 1147 C ARG A 498 -8.939 -5.840 8.600 1.00 0.00 C ATOM 1148 O ARG A 498 -8.025 -5.574 9.380 1.00 0.00 O ATOM 1149 CB ARG A 498 -10.204 -7.584 9.871 1.00 0.00 C ATOM 1150 CG ARG A 498 -11.290 -6.599 10.272 1.00 0.00 C ATOM 1151 CD ARG A 498 -11.721 -6.803 11.716 1.00 0.00 C ATOM 1152 NE ARG A 498 -12.618 -7.946 11.863 1.00 0.00 N ATOM 1153 CZ ARG A 498 -13.922 -7.893 11.614 1.00 0.00 C ATOM 1154 NH1 ARG A 498 -14.478 -6.760 11.209 1.00 0.00 N ATOM 1155 NH2 ARG A 498 -14.673 -8.976 11.772 1.00 0.00 N ATOM 0 H ARG A 498 -7.646 -8.133 8.778 1.00 0.00 H new ATOM 0 HA ARG A 498 -10.276 -7.275 7.746 1.00 0.00 H new ATOM 0 HB2 ARG A 498 -10.637 -8.582 9.806 1.00 0.00 H new ATOM 0 HB3 ARG A 498 -9.447 -7.615 10.654 1.00 0.00 H new ATOM 0 HG2 ARG A 498 -10.925 -5.580 10.140 1.00 0.00 H new ATOM 0 HG3 ARG A 498 -12.151 -6.717 9.614 1.00 0.00 H new ATOM 0 HD2 ARG A 498 -10.840 -6.951 12.340 1.00 0.00 H new ATOM 0 HD3 ARG A 498 -12.219 -5.903 12.076 1.00 0.00 H new ATOM 0 HE ARG A 498 -12.222 -8.833 12.174 1.00 0.00 H new ATOM 0 HH11 ARG A 498 -13.904 -5.925 11.088 1.00 0.00 H new ATOM 0 HH12 ARG A 498 -15.479 -6.723 11.019 1.00 0.00 H new ATOM 0 HH21 ARG A 498 -14.249 -9.849 12.085 1.00 0.00 H new ATOM 0 HH22 ARG A 498 -15.674 -8.935 11.581 1.00 0.00 H new ATOM 1169 N ILE A 499 -9.467 -4.946 7.771 1.00 0.00 N ATOM 1170 CA ILE A 499 -8.992 -3.568 7.731 1.00 0.00 C ATOM 1171 C ILE A 499 -10.061 -2.603 8.233 1.00 0.00 C ATOM 1172 O ILE A 499 -11.239 -2.743 7.905 1.00 0.00 O ATOM 1173 CB ILE A 499 -8.575 -3.158 6.306 1.00 0.00 C ATOM 1174 CG1 ILE A 499 -7.499 -4.108 5.774 1.00 0.00 C ATOM 1175 CG2 ILE A 499 -8.074 -1.722 6.294 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -7.146 -3.867 4.323 1.00 0.00 C ATOM 0 H ILE A 499 -10.224 -5.151 7.118 1.00 0.00 H new ATOM 0 HA ILE A 499 -8.122 -3.515 8.385 1.00 0.00 H new ATOM 0 HB ILE A 499 -9.446 -3.224 5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 499 -6.600 -4.002 6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 499 -7.843 -5.136 5.890 1.00 0.00 H new ATOM 0 HG21 ILE A 499 -7.783 -1.447 5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 499 -8.867 -1.057 6.637 1.00 0.00 H new ATOM 0 HG23 ILE A 499 -7.213 -1.632 6.956 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -6.378 -4.575 4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 499 -8.034 -4.001 3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -6.771 -2.850 4.204 1.00 0.00 H new ATOM 1188 N GLN A 500 -9.641 -1.625 9.028 1.00 0.00 N ATOM 1189 CA GLN A 500 -10.563 -0.636 9.574 1.00 0.00 C ATOM 1190 C GLN A 500 -9.908 0.740 9.639 1.00 0.00 C ATOM 1191 O GLN A 500 -8.696 0.872 9.469 1.00 0.00 O ATOM 1192 CB GLN A 500 -11.030 -1.058 10.968 1.00 0.00 C ATOM 1193 CG GLN A 500 -9.954 -0.930 12.035 1.00 0.00 C ATOM 1194 CD GLN A 500 -10.455 -1.306 13.415 1.00 0.00 C ATOM 1195 OE1 GLN A 500 -11.115 -0.512 14.087 1.00 0.00 O ATOM 1196 NE2 GLN A 500 -10.143 -2.522 13.848 1.00 0.00 N ATOM 0 H GLN A 500 -8.669 -1.496 9.308 1.00 0.00 H new ATOM 0 HA GLN A 500 -11.427 -0.577 8.912 1.00 0.00 H new ATOM 0 HB2 GLN A 500 -11.888 -0.450 11.254 1.00 0.00 H new ATOM 0 HB3 GLN A 500 -11.371 -2.093 10.930 1.00 0.00 H new ATOM 0 HG2 GLN A 500 -9.110 -1.567 11.773 1.00 0.00 H new ATOM 0 HG3 GLN A 500 -9.585 0.096 12.053 1.00 0.00 H new ATOM 0 HE21 GLN A 500 -9.594 -3.148 13.259 1.00 0.00 H new ATOM 0 HE22 GLN A 500 -10.452 -2.830 14.770 1.00 0.00 H new ATOM 1205 N THR A 501 -10.719 1.765 9.886 1.00 0.00 N ATOM 1206 CA THR A 501 -10.220 3.131 9.972 1.00 0.00 C ATOM 1207 C THR A 501 -9.630 3.415 11.349 1.00 0.00 C ATOM 1208 O THR A 501 -10.095 2.881 12.356 1.00 0.00 O ATOM 1209 CB THR A 501 -11.333 4.155 9.682 1.00 0.00 C ATOM 1210 OG1 THR A 501 -12.499 3.844 10.453 1.00 0.00 O ATOM 1211 CG2 THR A 501 -11.686 4.166 8.202 1.00 0.00 C ATOM 0 H THR A 501 -11.725 1.674 10.030 1.00 0.00 H new ATOM 0 HA THR A 501 -9.440 3.230 9.218 1.00 0.00 H new ATOM 0 HB THR A 501 -10.967 5.144 9.960 1.00 0.00 H new ATOM 0 HG1 THR A 501 -13.201 4.501 10.264 1.00 0.00 H new ATOM 0 HG21 THR A 501 -12.474 4.897 8.021 1.00 0.00 H new ATOM 0 HG22 THR A 501 -10.804 4.432 7.620 1.00 0.00 H new ATOM 0 HG23 THR A 501 -12.033 3.177 7.903 1.00 0.00 H new ATOM 1219 N TYR A 502 -8.605 4.259 11.385 1.00 0.00 N ATOM 1220 CA TYR A 502 -7.951 4.613 12.639 1.00 0.00 C ATOM 1221 C TYR A 502 -8.970 5.088 13.671 1.00 0.00 C ATOM 1222 O TYR A 502 -8.961 4.644 14.818 1.00 0.00 O ATOM 1223 CB TYR A 502 -6.903 5.702 12.403 1.00 0.00 C ATOM 1224 CG TYR A 502 -6.108 6.057 13.639 1.00 0.00 C ATOM 1225 CD1 TYR A 502 -5.026 5.282 14.040 1.00 0.00 C ATOM 1226 CD2 TYR A 502 -6.440 7.166 14.407 1.00 0.00 C ATOM 1227 CE1 TYR A 502 -4.298 5.602 15.169 1.00 0.00 C ATOM 1228 CE2 TYR A 502 -5.716 7.494 15.537 1.00 0.00 C ATOM 1229 CZ TYR A 502 -4.646 6.709 15.914 1.00 0.00 C ATOM 1230 OH TYR A 502 -3.924 7.032 17.040 1.00 0.00 O ATOM 0 H TYR A 502 -8.209 4.711 10.560 1.00 0.00 H new ATOM 0 HA TYR A 502 -7.458 3.721 13.026 1.00 0.00 H new ATOM 0 HB2 TYR A 502 -6.217 5.371 11.623 1.00 0.00 H new ATOM 0 HB3 TYR A 502 -7.400 6.598 12.031 1.00 0.00 H new ATOM 0 HD1 TYR A 502 -4.750 4.415 13.459 1.00 0.00 H new ATOM 0 HD2 TYR A 502 -7.278 7.782 14.116 1.00 0.00 H new ATOM 0 HE1 TYR A 502 -3.461 4.989 15.467 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -5.986 8.361 16.122 1.00 0.00 H new ATOM 0 HH TYR A 502 -4.299 7.840 17.448 1.00 0.00 H new ATOM 1240 N ALA A 503 -9.848 5.994 13.252 1.00 0.00 N ATOM 1241 CA ALA A 503 -10.875 6.528 14.137 1.00 0.00 C ATOM 1242 C ALA A 503 -11.717 5.409 14.739 1.00 0.00 C ATOM 1243 O ALA A 503 -12.142 5.490 15.891 1.00 0.00 O ATOM 1244 CB ALA A 503 -11.760 7.511 13.385 1.00 0.00 C ATOM 0 H ALA A 503 -9.868 6.373 12.305 1.00 0.00 H new ATOM 0 HA ALA A 503 -10.379 7.053 14.953 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -12.523 7.902 14.058 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -11.152 8.334 13.008 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -12.240 7.002 12.549 1.00 0.00 H new ATOM 1250 N GLU A 504 -11.955 4.364 13.951 1.00 0.00 N ATOM 1251 CA GLU A 504 -12.749 3.229 14.408 1.00 0.00 C ATOM 1252 C GLU A 504 -11.982 2.411 15.443 1.00 0.00 C ATOM 1253 O GLU A 504 -12.487 2.138 16.532 1.00 0.00 O ATOM 1254 CB GLU A 504 -13.137 2.341 13.224 1.00 0.00 C ATOM 1255 CG GLU A 504 -14.442 2.747 12.560 1.00 0.00 C ATOM 1256 CD GLU A 504 -15.658 2.366 13.381 1.00 0.00 C ATOM 1257 OE1 GLU A 504 -15.698 2.715 14.580 1.00 0.00 O ATOM 1258 OE2 GLU A 504 -16.570 1.719 12.825 1.00 0.00 O ATOM 0 H GLU A 504 -11.610 4.280 12.995 1.00 0.00 H new ATOM 0 HA GLU A 504 -13.655 3.615 14.875 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -12.338 2.369 12.483 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -13.219 1.309 13.566 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -14.442 3.825 12.396 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -14.508 2.276 11.579 1.00 0.00 H new ATOM 1265 N TYR A 505 -10.761 2.021 15.093 1.00 0.00 N ATOM 1266 CA TYR A 505 -9.925 1.231 15.990 1.00 0.00 C ATOM 1267 C TYR A 505 -9.661 1.982 17.291 1.00 0.00 C ATOM 1268 O TYR A 505 -9.988 1.503 18.376 1.00 0.00 O ATOM 1269 CB TYR A 505 -8.600 0.883 15.310 1.00 0.00 C ATOM 1270 CG TYR A 505 -7.512 0.478 16.278 1.00 0.00 C ATOM 1271 CD1 TYR A 505 -7.557 -0.747 16.934 1.00 0.00 C ATOM 1272 CD2 TYR A 505 -6.436 1.319 16.537 1.00 0.00 C ATOM 1273 CE1 TYR A 505 -6.565 -1.120 17.819 1.00 0.00 C ATOM 1274 CE2 TYR A 505 -5.439 0.953 17.420 1.00 0.00 C ATOM 1275 CZ TYR A 505 -5.508 -0.267 18.059 1.00 0.00 C ATOM 1276 OH TYR A 505 -4.517 -0.637 18.940 1.00 0.00 O ATOM 0 H TYR A 505 -10.328 2.239 14.195 1.00 0.00 H new ATOM 0 HA TYR A 505 -10.458 0.310 16.226 1.00 0.00 H new ATOM 0 HB2 TYR A 505 -8.766 0.071 14.603 1.00 0.00 H new ATOM 0 HB3 TYR A 505 -8.260 1.743 14.733 1.00 0.00 H new ATOM 0 HD1 TYR A 505 -8.382 -1.418 16.748 1.00 0.00 H new ATOM 0 HD2 TYR A 505 -6.379 2.276 16.039 1.00 0.00 H new ATOM 0 HE1 TYR A 505 -6.616 -2.075 18.321 1.00 0.00 H new ATOM 0 HE2 TYR A 505 -4.610 1.619 17.609 1.00 0.00 H new ATOM 0 HH TYR A 505 -3.846 0.075 18.995 1.00 0.00 H new ATOM 1286 N VAL A 506 -9.065 3.165 17.173 1.00 0.00 N ATOM 1287 CA VAL A 506 -8.757 3.985 18.339 1.00 0.00 C ATOM 1288 C VAL A 506 -9.990 4.184 19.212 1.00 0.00 C ATOM 1289 O VAL A 506 -9.884 4.341 20.428 1.00 0.00 O ATOM 1290 CB VAL A 506 -8.206 5.363 17.926 1.00 0.00 C ATOM 1291 CG1 VAL A 506 -6.914 5.207 17.138 1.00 0.00 C ATOM 1292 CG2 VAL A 506 -9.242 6.131 17.120 1.00 0.00 C ATOM 0 H VAL A 506 -8.786 3.576 16.282 1.00 0.00 H new ATOM 0 HA VAL A 506 -7.995 3.453 18.908 1.00 0.00 H new ATOM 0 HB VAL A 506 -7.986 5.933 18.829 1.00 0.00 H new ATOM 0 HG11 VAL A 506 -6.540 6.191 16.855 1.00 0.00 H new ATOM 0 HG12 VAL A 506 -6.171 4.699 17.754 1.00 0.00 H new ATOM 0 HG13 VAL A 506 -7.104 4.619 16.240 1.00 0.00 H new ATOM 0 HG21 VAL A 506 -8.836 7.102 16.837 1.00 0.00 H new ATOM 0 HG22 VAL A 506 -9.495 5.568 16.222 1.00 0.00 H new ATOM 0 HG23 VAL A 506 -10.139 6.275 17.723 1.00 0.00 H new