USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 557 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 595 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 598 SER OG : rot 180:sc=-0.00663 USER MOD Single : A 563 SER OG : rot 180:sc=-0.00996 USER MOD Single : A 564 TYR OH : rot 180:sc= -0.0788 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 GLN : amide:sc= -0.803 K(o=-0.8,f=-3.6!) USER MOD Single : A 572 GLN : amide:sc= 0.753 K(o=0.75,f=0) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 583 LYS NZ :NH3+ 160:sc= 0.719 (180deg=0.458) USER MOD Single : A 588 GLN : amide:sc= -1.73! K(o=-1.7!,f=-1) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= -6.14! K(o=-6.1!,f=-1.1) USER MOD Single : A 599 GLN : amide:sc= 0 K(o=0,f=-3.8!) USER MOD Single : A 601 HIS : no HD1:sc= -1.69! C(o=-1.7!,f=-2.8!) USER MOD Single : A 603 GLN : amide:sc= -2.56! X(o=-2.6!,f=-2.6) USER MOD Single : A 604 THR OG1 : rot -74:sc= -0.0362 USER MOD Single : A 605 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.79) USER MOD Single : A 606 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0151) USER MOD Single : A 611 MET CE :methyl 161:sc= -1.31 (180deg=-1.97) USER MOD Single : A 616 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.92) USER MOD Single : A 620 GLN : amide:sc= -4.6! K(o=-4.6!,f=-1.5) USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 198 N SER A 563 -22.708 0.732 -3.270 1.00 0.00 N ATOM 199 CA SER A 563 -22.730 1.663 -4.377 1.00 0.00 C ATOM 200 C SER A 563 -21.742 1.175 -5.434 1.00 0.00 C ATOM 201 O SER A 563 -20.765 0.514 -5.084 1.00 0.00 O ATOM 202 CB SER A 563 -22.350 3.064 -3.888 1.00 0.00 C ATOM 203 OG SER A 563 -22.558 4.032 -4.896 1.00 0.00 O ATOM 0 HA SER A 563 -23.730 1.716 -4.808 1.00 0.00 H new ATOM 0 HB2 SER A 563 -22.942 3.318 -3.009 1.00 0.00 H new ATOM 0 HB3 SER A 563 -21.304 3.074 -3.581 1.00 0.00 H new ATOM 0 HG SER A 563 -22.309 4.917 -4.556 1.00 0.00 H new ATOM 209 N TYR A 564 -21.971 1.482 -6.705 1.00 0.00 N ATOM 210 CA TYR A 564 -21.102 0.970 -7.766 1.00 0.00 C ATOM 211 C TYR A 564 -19.667 1.454 -7.577 1.00 0.00 C ATOM 212 O TYR A 564 -18.710 0.715 -7.823 1.00 0.00 O ATOM 213 CB TYR A 564 -21.601 1.387 -9.143 1.00 0.00 C ATOM 214 CG TYR A 564 -20.800 0.776 -10.270 1.00 0.00 C ATOM 215 CD1 TYR A 564 -21.095 -0.492 -10.745 1.00 0.00 C ATOM 216 CD2 TYR A 564 -19.738 1.461 -10.844 1.00 0.00 C ATOM 217 CE1 TYR A 564 -20.362 -1.057 -11.765 1.00 0.00 C ATOM 218 CE2 TYR A 564 -18.999 0.902 -11.864 1.00 0.00 C ATOM 219 CZ TYR A 564 -19.313 -0.356 -12.322 1.00 0.00 C ATOM 220 OH TYR A 564 -18.582 -0.915 -13.348 1.00 0.00 O ATOM 0 H TYR A 564 -22.738 2.073 -7.026 1.00 0.00 H new ATOM 0 HA TYR A 564 -21.124 -0.118 -7.702 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -22.646 1.097 -9.248 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -21.562 2.473 -9.224 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -21.913 -1.046 -10.308 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -19.487 2.448 -10.485 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -20.608 -2.044 -12.127 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -18.177 1.449 -12.302 1.00 0.00 H new ATOM 0 HH TYR A 564 -17.880 -0.291 -13.628 1.00 0.00 H new ATOM 230 N LYS A 565 -19.527 2.694 -7.137 1.00 0.00 N ATOM 231 CA LYS A 565 -18.214 3.258 -6.849 1.00 0.00 C ATOM 232 C LYS A 565 -17.495 2.461 -5.770 1.00 0.00 C ATOM 233 O LYS A 565 -16.269 2.383 -5.758 1.00 0.00 O ATOM 234 CB LYS A 565 -18.331 4.725 -6.454 1.00 0.00 C ATOM 235 CG LYS A 565 -19.507 5.021 -5.546 1.00 0.00 C ATOM 236 CD LYS A 565 -19.502 6.465 -5.110 1.00 0.00 C ATOM 237 CE LYS A 565 -19.697 7.400 -6.289 1.00 0.00 C ATOM 238 NZ LYS A 565 -19.688 8.826 -5.871 1.00 0.00 N ATOM 0 H LYS A 565 -20.306 3.331 -6.971 1.00 0.00 H new ATOM 0 HA LYS A 565 -17.617 3.196 -7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -17.412 5.032 -5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -18.420 5.329 -7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -20.438 4.798 -6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -19.468 4.373 -4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -20.294 6.629 -4.379 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -18.559 6.694 -4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -18.907 7.231 -7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -20.642 7.172 -6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -19.824 9.433 -6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -20.457 8.993 -5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -18.776 9.051 -5.424 1.00 0.00 H new ATOM 252 N LEU A 566 -18.264 1.855 -4.875 1.00 0.00 N ATOM 253 CA LEU A 566 -17.704 0.981 -3.857 1.00 0.00 C ATOM 254 C LEU A 566 -17.517 -0.420 -4.404 1.00 0.00 C ATOM 255 O LEU A 566 -16.654 -1.155 -3.942 1.00 0.00 O ATOM 256 CB LEU A 566 -18.590 0.922 -2.618 1.00 0.00 C ATOM 257 CG LEU A 566 -18.497 2.121 -1.681 1.00 0.00 C ATOM 258 CD1 LEU A 566 -19.096 3.363 -2.313 1.00 0.00 C ATOM 259 CD2 LEU A 566 -19.186 1.801 -0.376 1.00 0.00 C ATOM 0 H LEU A 566 -19.278 1.954 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 566 -16.737 1.396 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -19.626 0.815 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -18.337 0.024 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 566 -17.444 2.328 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -19.014 4.200 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -18.559 3.599 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -20.146 3.184 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -19.118 2.660 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -20.234 1.571 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -18.704 0.941 0.089 1.00 0.00 H new ATOM 271 N GLN A 567 -18.342 -0.786 -5.376 1.00 0.00 N ATOM 272 CA GLN A 567 -18.200 -2.059 -6.064 1.00 0.00 C ATOM 273 C GLN A 567 -16.791 -2.193 -6.610 1.00 0.00 C ATOM 274 O GLN A 567 -16.042 -3.088 -6.223 1.00 0.00 O ATOM 275 CB GLN A 567 -19.241 -2.185 -7.189 1.00 0.00 C ATOM 276 CG GLN A 567 -20.604 -2.629 -6.686 1.00 0.00 C ATOM 277 CD GLN A 567 -21.600 -2.861 -7.803 1.00 0.00 C ATOM 278 OE1 GLN A 567 -22.359 -1.967 -8.175 1.00 0.00 O ATOM 279 NE2 GLN A 567 -21.592 -4.062 -8.354 1.00 0.00 N ATOM 0 H GLN A 567 -19.120 -0.215 -5.706 1.00 0.00 H new ATOM 0 HA GLN A 567 -18.377 -2.868 -5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -19.341 -1.224 -7.694 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -18.883 -2.899 -7.930 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -20.491 -3.548 -6.111 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -20.998 -1.874 -6.006 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -20.946 -4.774 -8.015 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -22.232 -4.277 -9.119 1.00 0.00 H new ATOM 288 N ARG A 568 -16.416 -1.254 -7.453 1.00 0.00 N ATOM 289 CA ARG A 568 -15.109 -1.280 -8.088 1.00 0.00 C ATOM 290 C ARG A 568 -14.002 -0.904 -7.114 1.00 0.00 C ATOM 291 O ARG A 568 -12.833 -1.224 -7.340 1.00 0.00 O ATOM 292 CB ARG A 568 -15.107 -0.373 -9.312 1.00 0.00 C ATOM 293 CG ARG A 568 -15.479 -1.110 -10.581 1.00 0.00 C ATOM 294 CD ARG A 568 -16.773 -1.897 -10.427 1.00 0.00 C ATOM 295 NE ARG A 568 -17.081 -2.652 -11.641 1.00 0.00 N ATOM 296 CZ ARG A 568 -17.842 -3.746 -11.685 1.00 0.00 C ATOM 297 NH1 ARG A 568 -18.260 -4.325 -10.571 1.00 0.00 N ATOM 298 NH2 ARG A 568 -18.138 -4.294 -12.855 1.00 0.00 N ATOM 0 H ARG A 568 -16.998 -0.459 -7.717 1.00 0.00 H new ATOM 0 HA ARG A 568 -14.907 -2.301 -8.413 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -15.807 0.447 -9.154 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -14.118 0.070 -9.430 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -15.585 -0.395 -11.397 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -14.672 -1.790 -10.855 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -16.687 -2.581 -9.582 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -17.592 -1.214 -10.203 1.00 0.00 H new ATOM 0 HE ARG A 568 -16.684 -2.317 -12.519 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -18.001 -3.935 -9.665 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -18.842 -5.162 -10.618 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -17.784 -3.879 -13.717 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -18.720 -5.131 -12.894 1.00 0.00 H new ATOM 312 N GLU A 569 -14.369 -0.223 -6.036 1.00 0.00 N ATOM 313 CA GLU A 569 -13.416 0.100 -4.986 1.00 0.00 C ATOM 314 C GLU A 569 -13.063 -1.161 -4.198 1.00 0.00 C ATOM 315 O GLU A 569 -11.893 -1.503 -4.041 1.00 0.00 O ATOM 316 CB GLU A 569 -13.992 1.169 -4.044 1.00 0.00 C ATOM 317 CG GLU A 569 -13.006 1.658 -2.991 1.00 0.00 C ATOM 318 CD GLU A 569 -11.817 2.389 -3.586 1.00 0.00 C ATOM 319 OE1 GLU A 569 -10.893 1.724 -4.102 1.00 0.00 O ATOM 320 OE2 GLU A 569 -11.788 3.636 -3.524 1.00 0.00 O ATOM 0 H GLU A 569 -15.317 0.115 -5.867 1.00 0.00 H new ATOM 0 HA GLU A 569 -12.512 0.498 -5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -14.327 2.020 -4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -14.871 0.763 -3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -13.523 2.321 -2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -12.649 0.806 -2.412 1.00 0.00 H new ATOM 327 N LEU A 570 -14.095 -1.862 -3.739 1.00 0.00 N ATOM 328 CA LEU A 570 -13.926 -3.043 -2.902 1.00 0.00 C ATOM 329 C LEU A 570 -13.287 -4.176 -3.696 1.00 0.00 C ATOM 330 O LEU A 570 -12.356 -4.809 -3.227 1.00 0.00 O ATOM 331 CB LEU A 570 -15.289 -3.493 -2.349 1.00 0.00 C ATOM 332 CG LEU A 570 -15.267 -4.315 -1.047 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.684 -4.545 -0.549 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.565 -5.654 -1.234 1.00 0.00 C ATOM 0 H LEU A 570 -15.068 -1.628 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.268 -2.788 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -15.899 -2.605 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -15.790 -4.083 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.706 -3.742 -0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.656 -5.127 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -17.162 -3.585 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -17.251 -5.088 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.571 -6.203 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -15.086 -6.234 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.535 -5.484 -1.548 1.00 0.00 H new ATOM 346 N GLU A 571 -13.791 -4.417 -4.900 1.00 0.00 N ATOM 347 CA GLU A 571 -13.350 -5.547 -5.722 1.00 0.00 C ATOM 348 C GLU A 571 -11.839 -5.582 -5.934 1.00 0.00 C ATOM 349 O GLU A 571 -11.229 -6.649 -5.907 1.00 0.00 O ATOM 350 CB GLU A 571 -14.065 -5.523 -7.068 1.00 0.00 C ATOM 351 CG GLU A 571 -15.481 -6.071 -6.996 1.00 0.00 C ATOM 352 CD GLU A 571 -16.284 -5.812 -8.249 1.00 0.00 C ATOM 353 OE1 GLU A 571 -16.062 -6.509 -9.264 1.00 0.00 O ATOM 354 OE2 GLU A 571 -17.158 -4.920 -8.223 1.00 0.00 O ATOM 0 H GLU A 571 -14.512 -3.842 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.611 -6.453 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -14.096 -4.499 -7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -13.492 -6.106 -7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -15.439 -7.145 -6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -15.994 -5.624 -6.145 1.00 0.00 H new ATOM 361 N GLN A 572 -11.237 -4.424 -6.138 1.00 0.00 N ATOM 362 CA GLN A 572 -9.808 -4.360 -6.414 1.00 0.00 C ATOM 363 C GLN A 572 -9.002 -4.108 -5.143 1.00 0.00 C ATOM 364 O GLN A 572 -7.773 -4.170 -5.150 1.00 0.00 O ATOM 365 CB GLN A 572 -9.527 -3.248 -7.420 1.00 0.00 C ATOM 366 CG GLN A 572 -10.367 -3.338 -8.682 1.00 0.00 C ATOM 367 CD GLN A 572 -10.095 -2.198 -9.637 1.00 0.00 C ATOM 368 OE1 GLN A 572 -9.233 -2.297 -10.509 1.00 0.00 O ATOM 369 NE2 GLN A 572 -10.822 -1.103 -9.475 1.00 0.00 N ATOM 0 H GLN A 572 -11.709 -3.520 -6.119 1.00 0.00 H new ATOM 0 HA GLN A 572 -9.504 -5.323 -6.825 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -9.707 -2.285 -6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -8.472 -3.276 -7.694 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -10.165 -4.285 -9.183 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -11.423 -3.339 -8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -11.527 -1.063 -8.739 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -10.677 -0.300 -10.086 1.00 0.00 H new ATOM 378 N LEU A 573 -9.703 -3.847 -4.057 1.00 0.00 N ATOM 379 CA LEU A 573 -9.075 -3.386 -2.826 1.00 0.00 C ATOM 380 C LEU A 573 -8.243 -4.492 -2.144 1.00 0.00 C ATOM 381 O LEU A 573 -7.132 -4.219 -1.721 1.00 0.00 O ATOM 382 CB LEU A 573 -10.153 -2.837 -1.883 1.00 0.00 C ATOM 383 CG LEU A 573 -9.732 -1.649 -1.010 1.00 0.00 C ATOM 384 CD1 LEU A 573 -10.920 -1.098 -0.244 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.626 -2.029 -0.049 1.00 0.00 C ATOM 0 H LEU A 573 -10.716 -3.946 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.374 -2.590 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.014 -2.538 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.484 -3.645 -1.230 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.350 -0.875 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.599 -0.256 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -11.683 -0.765 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.332 -1.877 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.354 -1.162 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -8.971 -2.831 0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -7.756 -2.368 -0.611 1.00 0.00 H new ATOM 397 N PRO A 574 -8.734 -5.750 -2.014 1.00 0.00 N ATOM 398 CA PRO A 574 -7.926 -6.833 -1.433 1.00 0.00 C ATOM 399 C PRO A 574 -6.680 -7.106 -2.267 1.00 0.00 C ATOM 400 O PRO A 574 -5.598 -7.364 -1.734 1.00 0.00 O ATOM 401 CB PRO A 574 -8.862 -8.046 -1.449 1.00 0.00 C ATOM 402 CG PRO A 574 -10.232 -7.478 -1.575 1.00 0.00 C ATOM 403 CD PRO A 574 -10.078 -6.226 -2.384 1.00 0.00 C ATOM 0 HA PRO A 574 -7.567 -6.587 -0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -8.632 -8.710 -2.282 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -8.761 -8.634 -0.536 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -10.904 -8.182 -2.066 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -10.658 -7.261 -0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.155 -6.425 -3.453 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -10.846 -5.492 -2.141 1.00 0.00 H new ATOM 411 N GLN A 575 -6.845 -7.019 -3.583 1.00 0.00 N ATOM 412 CA GLN A 575 -5.739 -7.160 -4.519 1.00 0.00 C ATOM 413 C GLN A 575 -4.741 -6.037 -4.309 1.00 0.00 C ATOM 414 O GLN A 575 -3.535 -6.212 -4.460 1.00 0.00 O ATOM 415 CB GLN A 575 -6.262 -7.114 -5.952 1.00 0.00 C ATOM 416 CG GLN A 575 -7.330 -8.153 -6.245 1.00 0.00 C ATOM 417 CD GLN A 575 -8.028 -7.923 -7.571 1.00 0.00 C ATOM 418 OE1 GLN A 575 -7.442 -7.407 -8.521 1.00 0.00 O ATOM 419 NE2 GLN A 575 -9.296 -8.290 -7.641 1.00 0.00 N ATOM 0 H GLN A 575 -7.747 -6.849 -4.028 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.248 -8.118 -4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -6.669 -6.122 -6.149 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.428 -7.259 -6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -6.875 -9.144 -6.246 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -8.069 -8.143 -5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -9.749 -8.715 -6.832 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -9.821 -8.148 -8.504 1.00 0.00 H new ATOM 428 N LEU A 576 -5.270 -4.881 -3.956 1.00 0.00 N ATOM 429 CA LEU A 576 -4.464 -3.714 -3.678 1.00 0.00 C ATOM 430 C LEU A 576 -3.797 -3.825 -2.304 1.00 0.00 C ATOM 431 O LEU A 576 -2.682 -3.360 -2.111 1.00 0.00 O ATOM 432 CB LEU A 576 -5.341 -2.467 -3.756 1.00 0.00 C ATOM 433 CG LEU A 576 -4.669 -1.185 -3.303 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.659 -0.709 -4.338 1.00 0.00 C ATOM 435 CD2 LEU A 576 -5.702 -0.106 -3.011 1.00 0.00 C ATOM 0 H LEU A 576 -6.273 -4.727 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.671 -3.642 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.677 -2.340 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.231 -2.628 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.130 -1.392 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.190 0.212 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -2.896 -1.474 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.168 -0.523 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.196 0.804 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.278 0.100 -3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.372 -0.448 -2.223 1.00 0.00 H new ATOM 447 N LEU A 577 -4.489 -4.435 -1.353 1.00 0.00 N ATOM 448 CA LEU A 577 -3.921 -4.702 -0.035 1.00 0.00 C ATOM 449 C LEU A 577 -2.721 -5.611 -0.144 1.00 0.00 C ATOM 450 O LEU A 577 -1.645 -5.292 0.353 1.00 0.00 O ATOM 451 CB LEU A 577 -4.964 -5.324 0.901 1.00 0.00 C ATOM 452 CG LEU A 577 -5.758 -4.345 1.769 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.602 -2.909 1.285 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.226 -4.741 1.802 1.00 0.00 C ATOM 0 H LEU A 577 -5.450 -4.757 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.604 -3.748 0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.668 -5.897 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.457 -6.032 1.557 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.355 -4.395 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.180 -2.244 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.550 -2.625 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.964 -2.829 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.779 -4.036 2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.630 -4.727 0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.323 -5.744 2.217 1.00 0.00 H new ATOM 466 N GLU A 578 -2.896 -6.735 -0.811 1.00 0.00 N ATOM 467 CA GLU A 578 -1.791 -7.650 -1.017 1.00 0.00 C ATOM 468 C GLU A 578 -0.732 -6.994 -1.901 1.00 0.00 C ATOM 469 O GLU A 578 0.454 -7.308 -1.799 1.00 0.00 O ATOM 470 CB GLU A 578 -2.275 -8.965 -1.628 1.00 0.00 C ATOM 471 CG GLU A 578 -2.943 -8.808 -2.981 1.00 0.00 C ATOM 472 CD GLU A 578 -3.375 -10.129 -3.571 1.00 0.00 C ATOM 473 OE1 GLU A 578 -2.520 -11.025 -3.707 1.00 0.00 O ATOM 474 OE2 GLU A 578 -4.574 -10.285 -3.886 1.00 0.00 O ATOM 0 H GLU A 578 -3.783 -7.034 -1.216 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.345 -7.882 -0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.426 -9.641 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.977 -9.437 -0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -3.812 -8.158 -2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.254 -8.315 -3.667 1.00 0.00 H new ATOM 481 N ASP A 579 -1.172 -6.057 -2.746 1.00 0.00 N ATOM 482 CA ASP A 579 -0.262 -5.290 -3.593 1.00 0.00 C ATOM 483 C ASP A 579 0.659 -4.460 -2.735 1.00 0.00 C ATOM 484 O ASP A 579 1.867 -4.582 -2.811 1.00 0.00 O ATOM 485 CB ASP A 579 -1.018 -4.325 -4.502 1.00 0.00 C ATOM 486 CG ASP A 579 -0.163 -3.824 -5.650 1.00 0.00 C ATOM 487 OD1 ASP A 579 0.247 -4.641 -6.501 1.00 0.00 O ATOM 488 OD2 ASP A 579 0.096 -2.602 -5.715 1.00 0.00 O ATOM 0 H ASP A 579 -2.156 -5.813 -2.860 1.00 0.00 H new ATOM 0 HA ASP A 579 0.292 -6.008 -4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -1.902 -4.823 -4.901 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.368 -3.476 -3.915 1.00 0.00 H new ATOM 493 N LEU A 580 0.053 -3.618 -1.914 1.00 0.00 N ATOM 494 CA LEU A 580 0.778 -2.667 -1.093 1.00 0.00 C ATOM 495 C LEU A 580 1.529 -3.370 0.023 1.00 0.00 C ATOM 496 O LEU A 580 2.534 -2.868 0.513 1.00 0.00 O ATOM 497 CB LEU A 580 -0.194 -1.649 -0.519 1.00 0.00 C ATOM 498 CG LEU A 580 -1.046 -0.943 -1.567 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.107 -0.089 -0.905 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.173 -0.110 -2.493 1.00 0.00 C ATOM 0 H LEU A 580 -0.960 -3.576 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 580 1.512 -2.156 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -0.852 -2.151 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.368 -0.901 0.041 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.550 -1.699 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -2.705 0.407 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -2.752 -0.719 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -1.629 0.661 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -0.799 0.386 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 580 0.363 0.639 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.543 -0.758 -2.998 1.00 0.00 H new ATOM 512 N GLU A 581 1.026 -4.523 0.428 1.00 0.00 N ATOM 513 CA GLU A 581 1.710 -5.357 1.399 1.00 0.00 C ATOM 514 C GLU A 581 3.011 -5.866 0.804 1.00 0.00 C ATOM 515 O GLU A 581 4.090 -5.649 1.354 1.00 0.00 O ATOM 516 CB GLU A 581 0.829 -6.537 1.783 1.00 0.00 C ATOM 517 CG GLU A 581 1.431 -7.416 2.861 1.00 0.00 C ATOM 518 CD GLU A 581 0.624 -8.675 3.086 1.00 0.00 C ATOM 519 OE1 GLU A 581 0.755 -9.620 2.281 1.00 0.00 O ATOM 520 OE2 GLU A 581 -0.158 -8.721 4.061 1.00 0.00 O ATOM 0 H GLU A 581 0.140 -4.904 0.096 1.00 0.00 H new ATOM 0 HA GLU A 581 1.923 -4.766 2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.135 -6.163 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.639 -7.142 0.896 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.450 -7.684 2.582 1.00 0.00 H new ATOM 0 HG3 GLU A 581 1.493 -6.854 3.793 1.00 0.00 H new ATOM 527 N ALA A 582 2.889 -6.527 -0.341 1.00 0.00 N ATOM 528 CA ALA A 582 4.038 -7.057 -1.061 1.00 0.00 C ATOM 529 C ALA A 582 4.934 -5.930 -1.555 1.00 0.00 C ATOM 530 O ALA A 582 6.138 -6.106 -1.728 1.00 0.00 O ATOM 531 CB ALA A 582 3.572 -7.913 -2.228 1.00 0.00 C ATOM 0 H ALA A 582 1.994 -6.710 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 582 4.618 -7.677 -0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.439 -8.305 -2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 582 2.970 -8.742 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 582 2.972 -7.307 -2.907 1.00 0.00 H new ATOM 537 N LYS A 583 4.331 -4.773 -1.775 1.00 0.00 N ATOM 538 CA LYS A 583 5.053 -3.597 -2.228 1.00 0.00 C ATOM 539 C LYS A 583 5.873 -3.032 -1.079 1.00 0.00 C ATOM 540 O LYS A 583 7.046 -2.702 -1.241 1.00 0.00 O ATOM 541 CB LYS A 583 4.073 -2.538 -2.756 1.00 0.00 C ATOM 542 CG LYS A 583 4.761 -1.296 -3.287 1.00 0.00 C ATOM 543 CD LYS A 583 3.773 -0.290 -3.853 1.00 0.00 C ATOM 544 CE LYS A 583 4.492 0.971 -4.294 1.00 0.00 C ATOM 545 NZ LYS A 583 3.598 1.927 -4.993 1.00 0.00 N ATOM 0 H LYS A 583 3.330 -4.624 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 583 5.722 -3.879 -3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.468 -2.977 -3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.391 -2.253 -1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.333 -0.829 -2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.472 -1.580 -4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 583 3.243 -0.728 -4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 583 3.024 -0.044 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 583 4.928 1.459 -3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 583 5.316 0.702 -4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 4.021 2.877 -4.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 3.472 1.626 -5.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 2.673 1.949 -4.517 1.00 0.00 H new ATOM 559 N LEU A 584 5.245 -2.934 0.085 1.00 0.00 N ATOM 560 CA LEU A 584 5.920 -2.475 1.284 1.00 0.00 C ATOM 561 C LEU A 584 7.042 -3.445 1.627 1.00 0.00 C ATOM 562 O LEU A 584 8.162 -3.030 1.904 1.00 0.00 O ATOM 563 CB LEU A 584 4.913 -2.349 2.442 1.00 0.00 C ATOM 564 CG LEU A 584 5.425 -1.677 3.723 1.00 0.00 C ATOM 565 CD1 LEU A 584 6.139 -2.682 4.613 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.341 -0.511 3.379 1.00 0.00 C ATOM 0 H LEU A 584 4.262 -3.169 0.221 1.00 0.00 H new ATOM 0 HA LEU A 584 6.352 -1.489 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 584 4.050 -1.788 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.560 -3.348 2.698 1.00 0.00 H new ATOM 0 HG LEU A 584 4.568 -1.290 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.493 -2.182 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.449 -3.480 4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 584 6.988 -3.105 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.696 -0.044 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 584 7.193 -0.875 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 584 5.791 0.222 2.789 1.00 0.00 H new ATOM 578 N GLU A 585 6.731 -4.738 1.583 1.00 0.00 N ATOM 579 CA GLU A 585 7.733 -5.784 1.767 1.00 0.00 C ATOM 580 C GLU A 585 8.928 -5.584 0.838 1.00 0.00 C ATOM 581 O GLU A 585 10.082 -5.663 1.264 1.00 0.00 O ATOM 582 CB GLU A 585 7.101 -7.147 1.501 1.00 0.00 C ATOM 583 CG GLU A 585 6.331 -7.704 2.681 1.00 0.00 C ATOM 584 CD GLU A 585 7.254 -8.252 3.746 1.00 0.00 C ATOM 585 OE1 GLU A 585 7.844 -9.326 3.515 1.00 0.00 O ATOM 586 OE2 GLU A 585 7.394 -7.615 4.812 1.00 0.00 O ATOM 0 H GLU A 585 5.787 -5.088 1.420 1.00 0.00 H new ATOM 0 HA GLU A 585 8.092 -5.732 2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 585 6.429 -7.065 0.647 1.00 0.00 H new ATOM 0 HB3 GLU A 585 7.884 -7.853 1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 585 5.706 -6.921 3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 585 5.662 -8.494 2.338 1.00 0.00 H new ATOM 593 N ALA A 586 8.643 -5.301 -0.425 1.00 0.00 N ATOM 594 CA ALA A 586 9.681 -5.156 -1.435 1.00 0.00 C ATOM 595 C ALA A 586 10.526 -3.914 -1.177 1.00 0.00 C ATOM 596 O ALA A 586 11.747 -3.944 -1.292 1.00 0.00 O ATOM 597 CB ALA A 586 9.057 -5.091 -2.820 1.00 0.00 C ATOM 0 H ALA A 586 7.695 -5.167 -0.776 1.00 0.00 H new ATOM 0 HA ALA A 586 10.335 -6.027 -1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.842 -4.982 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.498 -6.007 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.383 -4.237 -2.875 1.00 0.00 H new ATOM 603 N LEU A 587 9.868 -2.830 -0.815 1.00 0.00 N ATOM 604 CA LEU A 587 10.547 -1.565 -0.584 1.00 0.00 C ATOM 605 C LEU A 587 11.308 -1.582 0.740 1.00 0.00 C ATOM 606 O LEU A 587 12.464 -1.166 0.801 1.00 0.00 O ATOM 607 CB LEU A 587 9.532 -0.421 -0.613 1.00 0.00 C ATOM 608 CG LEU A 587 8.812 -0.246 -1.954 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.602 0.657 -1.806 1.00 0.00 C ATOM 610 CD2 LEU A 587 9.761 0.316 -2.999 1.00 0.00 C ATOM 0 H LEU A 587 8.858 -2.798 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 587 11.276 -1.411 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.788 -0.592 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 587 10.044 0.509 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 587 8.470 -1.227 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.108 0.765 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 587 6.906 0.219 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 587 7.920 1.637 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.232 0.434 -3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.133 1.286 -2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.599 -0.367 -3.134 1.00 0.00 H new ATOM 622 N GLN A 588 10.668 -2.099 1.785 1.00 0.00 N ATOM 623 CA GLN A 588 11.261 -2.137 3.120 1.00 0.00 C ATOM 624 C GLN A 588 12.509 -3.004 3.151 1.00 0.00 C ATOM 625 O GLN A 588 13.420 -2.745 3.927 1.00 0.00 O ATOM 626 CB GLN A 588 10.255 -2.660 4.148 1.00 0.00 C ATOM 627 CG GLN A 588 9.438 -1.570 4.829 1.00 0.00 C ATOM 628 CD GLN A 588 10.230 -0.801 5.872 1.00 0.00 C ATOM 629 OE1 GLN A 588 9.976 0.378 6.117 1.00 0.00 O ATOM 630 NE2 GLN A 588 11.182 -1.465 6.511 1.00 0.00 N ATOM 0 H GLN A 588 9.732 -2.500 1.733 1.00 0.00 H new ATOM 0 HA GLN A 588 11.540 -1.115 3.376 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.575 -3.354 3.654 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.791 -3.227 4.909 1.00 0.00 H new ATOM 0 HG2 GLN A 588 9.069 -0.875 4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.565 -2.020 5.302 1.00 0.00 H new ATOM 0 HE21 GLN A 588 11.365 -2.442 6.281 1.00 0.00 H new ATOM 0 HE22 GLN A 588 11.732 -0.999 7.233 1.00 0.00 H new ATOM 639 N THR A 589 12.554 -4.027 2.310 1.00 0.00 N ATOM 640 CA THR A 589 13.687 -4.933 2.296 1.00 0.00 C ATOM 641 C THR A 589 14.881 -4.301 1.578 1.00 0.00 C ATOM 642 O THR A 589 16.025 -4.705 1.779 1.00 0.00 O ATOM 643 CB THR A 589 13.311 -6.282 1.643 1.00 0.00 C ATOM 644 OG1 THR A 589 14.204 -7.312 2.081 1.00 0.00 O ATOM 645 CG2 THR A 589 13.352 -6.196 0.122 1.00 0.00 C ATOM 0 H THR A 589 11.823 -4.247 1.634 1.00 0.00 H new ATOM 0 HA THR A 589 13.973 -5.126 3.330 1.00 0.00 H new ATOM 0 HB THR A 589 12.293 -6.521 1.950 1.00 0.00 H new ATOM 0 HG1 THR A 589 13.954 -8.162 1.661 1.00 0.00 H new ATOM 0 HG21 THR A 589 13.082 -7.162 -0.304 1.00 0.00 H new ATOM 0 HG22 THR A 589 12.646 -5.439 -0.219 1.00 0.00 H new ATOM 0 HG23 THR A 589 14.357 -5.925 -0.200 1.00 0.00 H new ATOM 653 N GLN A 590 14.612 -3.298 0.750 1.00 0.00 N ATOM 654 CA GLN A 590 15.679 -2.537 0.115 1.00 0.00 C ATOM 655 C GLN A 590 16.258 -1.578 1.133 1.00 0.00 C ATOM 656 O GLN A 590 17.466 -1.496 1.327 1.00 0.00 O ATOM 657 CB GLN A 590 15.150 -1.737 -1.075 1.00 0.00 C ATOM 658 CG GLN A 590 14.319 -2.538 -2.061 1.00 0.00 C ATOM 659 CD GLN A 590 15.108 -3.571 -2.856 1.00 0.00 C ATOM 660 OE1 GLN A 590 14.776 -3.856 -4.006 1.00 0.00 O ATOM 661 NE2 GLN A 590 16.133 -4.155 -2.253 1.00 0.00 N ATOM 0 H GLN A 590 13.670 -2.995 0.504 1.00 0.00 H new ATOM 0 HA GLN A 590 16.439 -3.230 -0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 590 14.546 -0.910 -0.700 1.00 0.00 H new ATOM 0 HB3 GLN A 590 15.996 -1.299 -1.605 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.523 -3.047 -1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 590 13.840 -1.850 -2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 590 16.380 -3.893 -1.298 1.00 0.00 H new ATOM 0 HE22 GLN A 590 16.676 -4.866 -2.743 1.00 0.00 H new ATOM 670 N VAL A 591 15.348 -0.883 1.792 1.00 0.00 N ATOM 671 CA VAL A 591 15.677 0.095 2.814 1.00 0.00 C ATOM 672 C VAL A 591 16.226 -0.602 4.062 1.00 0.00 C ATOM 673 O VAL A 591 16.863 0.021 4.913 1.00 0.00 O ATOM 674 CB VAL A 591 14.409 0.907 3.156 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.705 2.064 4.094 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.758 1.412 1.876 1.00 0.00 C ATOM 0 H VAL A 591 14.346 -0.983 1.630 1.00 0.00 H new ATOM 0 HA VAL A 591 16.448 0.769 2.442 1.00 0.00 H new ATOM 0 HB VAL A 591 13.720 0.242 3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.783 2.606 4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.122 1.680 5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.422 2.738 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 591 12.864 1.984 2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.459 2.050 1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.484 0.564 1.248 1.00 0.00 H new ATOM 686 N ALA A 592 15.979 -1.906 4.154 1.00 0.00 N ATOM 687 CA ALA A 592 16.498 -2.718 5.245 1.00 0.00 C ATOM 688 C ALA A 592 18.015 -2.820 5.169 1.00 0.00 C ATOM 689 O ALA A 592 18.698 -2.898 6.191 1.00 0.00 O ATOM 690 CB ALA A 592 15.883 -4.109 5.220 1.00 0.00 C ATOM 0 H ALA A 592 15.417 -2.424 3.478 1.00 0.00 H new ATOM 0 HA ALA A 592 16.227 -2.231 6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 592 16.285 -4.699 6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 592 14.801 -4.030 5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 592 16.122 -4.596 4.274 1.00 0.00 H new ATOM 696 N ASP A 593 18.528 -2.823 3.945 1.00 0.00 N ATOM 697 CA ASP A 593 19.962 -2.914 3.709 1.00 0.00 C ATOM 698 C ASP A 593 20.623 -1.577 4.030 1.00 0.00 C ATOM 699 O ASP A 593 20.184 -0.529 3.560 1.00 0.00 O ATOM 700 CB ASP A 593 20.232 -3.296 2.249 1.00 0.00 C ATOM 701 CG ASP A 593 21.668 -3.721 2.005 1.00 0.00 C ATOM 702 OD1 ASP A 593 22.587 -2.931 2.283 1.00 0.00 O ATOM 703 OD2 ASP A 593 21.882 -4.860 1.538 1.00 0.00 O ATOM 0 H ASP A 593 17.967 -2.763 3.095 1.00 0.00 H new ATOM 0 HA ASP A 593 20.381 -3.684 4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.564 -4.108 1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.996 -2.447 1.607 1.00 0.00 H new ATOM 708 N ALA A 594 21.676 -1.621 4.834 1.00 0.00 N ATOM 709 CA ALA A 594 22.369 -0.410 5.257 1.00 0.00 C ATOM 710 C ALA A 594 23.079 0.272 4.093 1.00 0.00 C ATOM 711 O ALA A 594 23.416 1.456 4.167 1.00 0.00 O ATOM 712 CB ALA A 594 23.361 -0.737 6.360 1.00 0.00 C ATOM 0 H ALA A 594 22.071 -2.484 5.208 1.00 0.00 H new ATOM 0 HA ALA A 594 21.621 0.286 5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 594 23.874 0.174 6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 594 22.831 -1.162 7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 594 24.091 -1.457 5.991 1.00 0.00 H new ATOM 718 N SER A 595 23.297 -0.471 3.018 1.00 0.00 N ATOM 719 CA SER A 595 23.974 0.059 1.850 1.00 0.00 C ATOM 720 C SER A 595 22.973 0.778 0.944 1.00 0.00 C ATOM 721 O SER A 595 23.353 1.404 -0.047 1.00 0.00 O ATOM 722 CB SER A 595 24.677 -1.072 1.089 1.00 0.00 C ATOM 723 OG SER A 595 25.801 -0.588 0.368 1.00 0.00 O ATOM 0 H SER A 595 23.012 -1.447 2.933 1.00 0.00 H new ATOM 0 HA SER A 595 24.727 0.778 2.172 1.00 0.00 H new ATOM 0 HB2 SER A 595 24.997 -1.842 1.791 1.00 0.00 H new ATOM 0 HB3 SER A 595 23.975 -1.541 0.400 1.00 0.00 H new ATOM 0 HG SER A 595 26.230 -1.331 -0.106 1.00 0.00 H new ATOM 729 N PHE A 596 21.689 0.682 1.283 1.00 0.00 N ATOM 730 CA PHE A 596 20.651 1.378 0.535 1.00 0.00 C ATOM 731 C PHE A 596 20.891 2.882 0.567 1.00 0.00 C ATOM 732 O PHE A 596 20.881 3.546 -0.468 1.00 0.00 O ATOM 733 CB PHE A 596 19.266 1.055 1.104 1.00 0.00 C ATOM 734 CG PHE A 596 18.180 1.958 0.596 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.691 1.824 -0.694 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.653 2.945 1.410 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.698 2.660 -1.159 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.660 3.782 0.950 1.00 0.00 C ATOM 739 CZ PHE A 596 16.182 3.641 -0.336 1.00 0.00 C ATOM 0 H PHE A 596 21.346 0.130 2.069 1.00 0.00 H new ATOM 0 HA PHE A 596 20.690 1.037 -0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 596 19.013 0.024 0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.304 1.123 2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 596 18.092 1.058 -1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.024 3.061 2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.324 2.548 -2.166 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.256 4.548 1.596 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.405 4.297 -0.699 1.00 0.00 H new ATOM 749 N PHE A 597 21.150 3.405 1.757 1.00 0.00 N ATOM 750 CA PHE A 597 21.350 4.842 1.938 1.00 0.00 C ATOM 751 C PHE A 597 22.717 5.292 1.420 1.00 0.00 C ATOM 752 O PHE A 597 23.123 6.438 1.618 1.00 0.00 O ATOM 753 CB PHE A 597 21.198 5.218 3.413 1.00 0.00 C ATOM 754 CG PHE A 597 19.826 4.956 3.973 1.00 0.00 C ATOM 755 CD1 PHE A 597 18.817 5.896 3.836 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.546 3.774 4.641 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.557 5.663 4.352 1.00 0.00 C ATOM 758 CE2 PHE A 597 18.287 3.535 5.159 1.00 0.00 C ATOM 759 CZ PHE A 597 17.293 4.482 5.014 1.00 0.00 C ATOM 0 H PHE A 597 21.227 2.858 2.614 1.00 0.00 H new ATOM 0 HA PHE A 597 20.586 5.356 1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 597 21.930 4.660 3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.433 6.276 3.534 1.00 0.00 H new ATOM 0 HD1 PHE A 597 19.018 6.823 3.319 1.00 0.00 H new ATOM 0 HD2 PHE A 597 20.321 3.031 4.758 1.00 0.00 H new ATOM 0 HE1 PHE A 597 16.780 6.404 4.237 1.00 0.00 H new ATOM 0 HE2 PHE A 597 18.081 2.609 5.676 1.00 0.00 H new ATOM 0 HZ PHE A 597 16.309 4.298 5.419 1.00 0.00 H new ATOM 769 N SER A 598 23.422 4.388 0.755 1.00 0.00 N ATOM 770 CA SER A 598 24.699 4.713 0.147 1.00 0.00 C ATOM 771 C SER A 598 24.482 5.179 -1.287 1.00 0.00 C ATOM 772 O SER A 598 25.396 5.662 -1.948 1.00 0.00 O ATOM 773 CB SER A 598 25.617 3.490 0.173 1.00 0.00 C ATOM 774 OG SER A 598 25.769 2.999 1.495 1.00 0.00 O ATOM 0 H SER A 598 23.127 3.420 0.624 1.00 0.00 H new ATOM 0 HA SER A 598 25.171 5.516 0.713 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.205 2.708 -0.465 1.00 0.00 H new ATOM 0 HB3 SER A 598 26.592 3.754 -0.236 1.00 0.00 H new ATOM 0 HG SER A 598 26.358 2.216 1.487 1.00 0.00 H new ATOM 780 N GLN A 599 23.255 5.024 -1.759 1.00 0.00 N ATOM 781 CA GLN A 599 22.888 5.406 -3.100 1.00 0.00 C ATOM 782 C GLN A 599 22.466 6.873 -3.168 1.00 0.00 C ATOM 783 O GLN A 599 22.285 7.523 -2.135 1.00 0.00 O ATOM 784 CB GLN A 599 21.759 4.496 -3.544 1.00 0.00 C ATOM 785 CG GLN A 599 22.193 3.060 -3.710 1.00 0.00 C ATOM 786 CD GLN A 599 22.728 2.764 -5.097 1.00 0.00 C ATOM 787 OE1 GLN A 599 23.320 3.626 -5.746 1.00 0.00 O ATOM 788 NE2 GLN A 599 22.524 1.547 -5.565 1.00 0.00 N ATOM 0 H GLN A 599 22.488 4.628 -1.216 1.00 0.00 H new ATOM 0 HA GLN A 599 23.746 5.300 -3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 599 20.952 4.544 -2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.356 4.860 -4.489 1.00 0.00 H new ATOM 0 HG2 GLN A 599 22.962 2.830 -2.972 1.00 0.00 H new ATOM 0 HG3 GLN A 599 21.347 2.404 -3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 599 22.029 0.859 -4.998 1.00 0.00 H new ATOM 0 HE22 GLN A 599 22.861 1.295 -6.494 1.00 0.00 H new ATOM 797 N PRO A 600 22.335 7.412 -4.392 1.00 0.00 N ATOM 798 CA PRO A 600 21.908 8.800 -4.618 1.00 0.00 C ATOM 799 C PRO A 600 20.582 9.139 -3.940 1.00 0.00 C ATOM 800 O PRO A 600 19.671 8.314 -3.879 1.00 0.00 O ATOM 801 CB PRO A 600 21.745 8.874 -6.139 1.00 0.00 C ATOM 802 CG PRO A 600 22.647 7.819 -6.670 1.00 0.00 C ATOM 803 CD PRO A 600 22.621 6.712 -5.659 1.00 0.00 C ATOM 0 HA PRO A 600 22.626 9.507 -4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 600 20.711 8.696 -6.435 1.00 0.00 H new ATOM 0 HB3 PRO A 600 22.021 9.858 -6.519 1.00 0.00 H new ATOM 0 HG2 PRO A 600 22.306 7.467 -7.644 1.00 0.00 H new ATOM 0 HG3 PRO A 600 23.659 8.201 -6.805 1.00 0.00 H new ATOM 0 HD2 PRO A 600 21.854 5.973 -5.892 1.00 0.00 H new ATOM 0 HD3 PRO A 600 23.573 6.182 -5.619 1.00 0.00 H new ATOM 811 N HIS A 601 20.503 10.375 -3.440 1.00 0.00 N ATOM 812 CA HIS A 601 19.282 10.932 -2.841 1.00 0.00 C ATOM 813 C HIS A 601 18.093 10.714 -3.755 1.00 0.00 C ATOM 814 O HIS A 601 16.994 10.416 -3.307 1.00 0.00 O ATOM 815 CB HIS A 601 19.473 12.437 -2.613 1.00 0.00 C ATOM 816 CG HIS A 601 18.325 13.143 -1.955 1.00 0.00 C ATOM 817 ND1 HIS A 601 18.311 13.481 -0.622 1.00 0.00 N ATOM 818 CD2 HIS A 601 17.169 13.626 -2.472 1.00 0.00 C ATOM 819 CE1 HIS A 601 17.201 14.139 -0.346 1.00 0.00 C ATOM 820 NE2 HIS A 601 16.490 14.244 -1.453 1.00 0.00 N ATOM 0 H HIS A 601 21.290 11.024 -3.438 1.00 0.00 H new ATOM 0 HA HIS A 601 19.094 10.428 -1.893 1.00 0.00 H new ATOM 0 HB2 HIS A 601 20.364 12.584 -2.003 1.00 0.00 H new ATOM 0 HB3 HIS A 601 19.664 12.911 -3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 601 16.842 13.540 -3.498 1.00 0.00 H new ATOM 0 HE1 HIS A 601 16.921 14.526 0.623 1.00 0.00 H new ATOM 0 HE2 HIS A 601 15.585 14.708 -1.537 1.00 0.00 H new ATOM 829 N GLU A 602 18.331 10.874 -5.040 1.00 0.00 N ATOM 830 CA GLU A 602 17.280 10.784 -6.029 1.00 0.00 C ATOM 831 C GLU A 602 16.768 9.353 -6.167 1.00 0.00 C ATOM 832 O GLU A 602 15.600 9.137 -6.490 1.00 0.00 O ATOM 833 CB GLU A 602 17.786 11.316 -7.370 1.00 0.00 C ATOM 834 CG GLU A 602 18.519 12.644 -7.242 1.00 0.00 C ATOM 835 CD GLU A 602 20.020 12.480 -7.128 1.00 0.00 C ATOM 836 OE1 GLU A 602 20.492 11.978 -6.090 1.00 0.00 O ATOM 837 OE2 GLU A 602 20.735 12.874 -8.072 1.00 0.00 O ATOM 0 H GLU A 602 19.255 11.069 -5.426 1.00 0.00 H new ATOM 0 HA GLU A 602 16.441 11.397 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 602 18.453 10.580 -7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 602 16.942 11.437 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 602 18.291 13.264 -8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 602 18.149 13.174 -6.365 1.00 0.00 H new ATOM 844 N GLN A 603 17.636 8.373 -5.923 1.00 0.00 N ATOM 845 CA GLN A 603 17.227 6.974 -6.001 1.00 0.00 C ATOM 846 C GLN A 603 16.632 6.543 -4.658 1.00 0.00 C ATOM 847 O GLN A 603 15.604 5.866 -4.610 1.00 0.00 O ATOM 848 CB GLN A 603 18.415 6.068 -6.407 1.00 0.00 C ATOM 849 CG GLN A 603 19.184 5.440 -5.257 1.00 0.00 C ATOM 850 CD GLN A 603 18.570 4.131 -4.784 1.00 0.00 C ATOM 851 OE1 GLN A 603 18.627 3.798 -3.605 1.00 0.00 O ATOM 852 NE2 GLN A 603 17.999 3.373 -5.707 1.00 0.00 N ATOM 0 H GLN A 603 18.614 8.519 -5.673 1.00 0.00 H new ATOM 0 HA GLN A 603 16.466 6.868 -6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 603 18.038 5.270 -7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 603 19.109 6.657 -7.006 1.00 0.00 H new ATOM 0 HG2 GLN A 603 20.213 5.262 -5.568 1.00 0.00 H new ATOM 0 HG3 GLN A 603 19.220 6.142 -4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 603 17.972 3.685 -6.678 1.00 0.00 H new ATOM 0 HE22 GLN A 603 17.586 2.477 -5.447 1.00 0.00 H new ATOM 861 N THR A 604 17.276 6.961 -3.566 1.00 0.00 N ATOM 862 CA THR A 604 16.850 6.570 -2.232 1.00 0.00 C ATOM 863 C THR A 604 15.503 7.174 -1.885 1.00 0.00 C ATOM 864 O THR A 604 14.601 6.466 -1.458 1.00 0.00 O ATOM 865 CB THR A 604 17.871 6.972 -1.149 1.00 0.00 C ATOM 866 OG1 THR A 604 18.291 8.328 -1.339 1.00 0.00 O ATOM 867 CG2 THR A 604 19.083 6.053 -1.164 1.00 0.00 C ATOM 0 H THR A 604 18.094 7.570 -3.585 1.00 0.00 H new ATOM 0 HA THR A 604 16.772 5.483 -2.248 1.00 0.00 H new ATOM 0 HB THR A 604 17.380 6.878 -0.180 1.00 0.00 H new ATOM 0 HG1 THR A 604 18.893 8.379 -2.111 1.00 0.00 H new ATOM 0 HG21 THR A 604 19.784 6.363 -0.389 1.00 0.00 H new ATOM 0 HG22 THR A 604 18.764 5.028 -0.976 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.570 6.109 -2.137 1.00 0.00 H new ATOM 875 N GLN A 605 15.369 8.480 -2.083 1.00 0.00 N ATOM 876 CA GLN A 605 14.123 9.170 -1.777 1.00 0.00 C ATOM 877 C GLN A 605 12.990 8.652 -2.647 1.00 0.00 C ATOM 878 O GLN A 605 11.835 8.685 -2.247 1.00 0.00 O ATOM 879 CB GLN A 605 14.280 10.675 -1.950 1.00 0.00 C ATOM 880 CG GLN A 605 15.162 11.311 -0.896 1.00 0.00 C ATOM 881 CD GLN A 605 14.696 11.037 0.523 1.00 0.00 C ATOM 882 OE1 GLN A 605 13.502 10.898 0.794 1.00 0.00 O ATOM 883 NE2 GLN A 605 15.648 10.934 1.436 1.00 0.00 N ATOM 0 H GLN A 605 16.106 9.081 -2.453 1.00 0.00 H new ATOM 0 HA GLN A 605 13.876 8.968 -0.735 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.699 10.879 -2.935 1.00 0.00 H new ATOM 0 HB3 GLN A 605 13.295 11.142 -1.920 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.181 10.942 -1.014 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.192 12.388 -1.059 1.00 0.00 H new ATOM 0 HE21 GLN A 605 16.625 11.056 1.170 1.00 0.00 H new ATOM 0 HE22 GLN A 605 15.405 10.732 2.406 1.00 0.00 H new ATOM 892 N LYS A 606 13.330 8.177 -3.837 1.00 0.00 N ATOM 893 CA LYS A 606 12.372 7.507 -4.697 1.00 0.00 C ATOM 894 C LYS A 606 11.788 6.308 -3.955 1.00 0.00 C ATOM 895 O LYS A 606 10.573 6.174 -3.811 1.00 0.00 O ATOM 896 CB LYS A 606 13.076 7.069 -5.993 1.00 0.00 C ATOM 897 CG LYS A 606 12.176 6.424 -7.030 1.00 0.00 C ATOM 898 CD LYS A 606 11.945 4.953 -6.743 1.00 0.00 C ATOM 899 CE LYS A 606 11.186 4.285 -7.866 1.00 0.00 C ATOM 900 NZ LYS A 606 12.045 4.035 -9.055 1.00 0.00 N ATOM 0 H LYS A 606 14.269 8.245 -4.228 1.00 0.00 H new ATOM 0 HA LYS A 606 11.557 8.182 -4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 606 13.553 7.941 -6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 606 13.870 6.367 -5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 606 11.218 6.944 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 606 12.623 6.535 -8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 606 12.903 4.453 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 606 11.389 4.845 -5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 606 10.775 3.340 -7.512 1.00 0.00 H new ATOM 0 HE3 LYS A 606 10.342 4.912 -8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 11.506 3.501 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 12.349 4.943 -9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 12.881 3.486 -8.770 1.00 0.00 H new ATOM 914 N VAL A 607 12.677 5.459 -3.461 1.00 0.00 N ATOM 915 CA VAL A 607 12.278 4.265 -2.728 1.00 0.00 C ATOM 916 C VAL A 607 11.645 4.629 -1.385 1.00 0.00 C ATOM 917 O VAL A 607 10.597 4.106 -1.025 1.00 0.00 O ATOM 918 CB VAL A 607 13.482 3.329 -2.488 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.049 2.060 -1.768 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.169 2.989 -3.802 1.00 0.00 C ATOM 0 H VAL A 607 13.686 5.576 -3.555 1.00 0.00 H new ATOM 0 HA VAL A 607 11.541 3.745 -3.340 1.00 0.00 H new ATOM 0 HB VAL A 607 14.195 3.854 -1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 607 13.915 1.417 -1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.610 2.320 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.311 1.533 -2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.015 2.329 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 607 13.461 2.490 -4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 607 14.524 3.905 -4.275 1.00 0.00 H new ATOM 930 N LEU A 608 12.284 5.542 -0.661 1.00 0.00 N ATOM 931 CA LEU A 608 11.819 5.968 0.658 1.00 0.00 C ATOM 932 C LEU A 608 10.420 6.574 0.593 1.00 0.00 C ATOM 933 O LEU A 608 9.570 6.282 1.437 1.00 0.00 O ATOM 934 CB LEU A 608 12.798 6.983 1.258 1.00 0.00 C ATOM 935 CG LEU A 608 14.173 6.425 1.628 1.00 0.00 C ATOM 936 CD1 LEU A 608 15.099 7.544 2.070 1.00 0.00 C ATOM 937 CD2 LEU A 608 14.045 5.380 2.724 1.00 0.00 C ATOM 0 H LEU A 608 13.137 6.008 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 608 11.773 5.084 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 608 12.934 7.797 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.347 7.414 2.152 1.00 0.00 H new ATOM 0 HG LEU A 608 14.601 5.950 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 608 16.073 7.129 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.215 8.262 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.675 8.045 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 608 15.033 4.993 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.597 5.833 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.413 4.563 2.376 1.00 0.00 H new ATOM 949 N ALA A 609 10.185 7.413 -0.405 1.00 0.00 N ATOM 950 CA ALA A 609 8.893 8.061 -0.566 1.00 0.00 C ATOM 951 C ALA A 609 7.826 7.046 -0.951 1.00 0.00 C ATOM 952 O ALA A 609 6.739 7.027 -0.371 1.00 0.00 O ATOM 953 CB ALA A 609 8.979 9.166 -1.606 1.00 0.00 C ATOM 0 H ALA A 609 10.873 7.661 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 609 8.611 8.506 0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.004 9.641 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 609 9.711 9.909 -1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.284 8.742 -2.563 1.00 0.00 H new ATOM 959 N ASP A 610 8.153 6.186 -1.910 1.00 0.00 N ATOM 960 CA ASP A 610 7.212 5.172 -2.378 1.00 0.00 C ATOM 961 C ASP A 610 6.964 4.132 -1.290 1.00 0.00 C ATOM 962 O ASP A 610 5.872 3.579 -1.186 1.00 0.00 O ATOM 963 CB ASP A 610 7.731 4.504 -3.652 1.00 0.00 C ATOM 964 CG ASP A 610 6.711 3.580 -4.294 1.00 0.00 C ATOM 965 OD1 ASP A 610 5.516 3.950 -4.369 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.107 2.488 -4.752 1.00 0.00 O ATOM 0 H ASP A 610 9.059 6.170 -2.378 1.00 0.00 H new ATOM 0 HA ASP A 610 6.266 5.661 -2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.018 5.274 -4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 610 8.631 3.936 -3.417 1.00 0.00 H new ATOM 971 N MET A 611 7.982 3.878 -0.472 1.00 0.00 N ATOM 972 CA MET A 611 7.848 2.986 0.679 1.00 0.00 C ATOM 973 C MET A 611 6.825 3.528 1.659 1.00 0.00 C ATOM 974 O MET A 611 5.896 2.825 2.059 1.00 0.00 O ATOM 975 CB MET A 611 9.193 2.803 1.387 1.00 0.00 C ATOM 976 CG MET A 611 9.084 2.054 2.705 1.00 0.00 C ATOM 977 SD MET A 611 10.676 1.872 3.527 1.00 0.00 S ATOM 978 CE MET A 611 11.052 3.580 3.909 1.00 0.00 C ATOM 0 H MET A 611 8.913 4.279 -0.585 1.00 0.00 H new ATOM 0 HA MET A 611 7.510 2.017 0.312 1.00 0.00 H new ATOM 0 HB2 MET A 611 9.873 2.264 0.727 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.635 3.782 1.570 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.396 2.583 3.365 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.657 1.068 2.525 1.00 0.00 H new ATOM 0 HE1 MET A 611 11.808 3.620 4.693 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.429 4.078 3.016 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.148 4.084 4.251 1.00 0.00 H new ATOM 988 N ALA A 612 6.993 4.789 2.031 1.00 0.00 N ATOM 989 CA ALA A 612 6.086 5.426 2.967 1.00 0.00 C ATOM 990 C ALA A 612 4.692 5.535 2.364 1.00 0.00 C ATOM 991 O ALA A 612 3.688 5.399 3.058 1.00 0.00 O ATOM 992 CB ALA A 612 6.605 6.800 3.367 1.00 0.00 C ATOM 0 H ALA A 612 7.749 5.388 1.698 1.00 0.00 H new ATOM 0 HA ALA A 612 6.028 4.809 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 612 5.910 7.261 4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.582 6.697 3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.694 7.428 2.480 1.00 0.00 H new ATOM 998 N ALA A 613 4.640 5.776 1.061 1.00 0.00 N ATOM 999 CA ALA A 613 3.377 5.843 0.346 1.00 0.00 C ATOM 1000 C ALA A 613 2.681 4.488 0.341 1.00 0.00 C ATOM 1001 O ALA A 613 1.465 4.414 0.481 1.00 0.00 O ATOM 1002 CB ALA A 613 3.595 6.331 -1.076 1.00 0.00 C ATOM 0 H ALA A 613 5.463 5.929 0.477 1.00 0.00 H new ATOM 0 HA ALA A 613 2.733 6.554 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.638 6.375 -1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.043 7.325 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.261 5.644 -1.598 1.00 0.00 H new ATOM 1008 N ALA A 614 3.464 3.426 0.196 1.00 0.00 N ATOM 1009 CA ALA A 614 2.932 2.071 0.157 1.00 0.00 C ATOM 1010 C ALA A 614 2.230 1.712 1.455 1.00 0.00 C ATOM 1011 O ALA A 614 1.094 1.244 1.436 1.00 0.00 O ATOM 1012 CB ALA A 614 4.043 1.072 -0.138 1.00 0.00 C ATOM 0 H ALA A 614 4.478 3.479 0.103 1.00 0.00 H new ATOM 0 HA ALA A 614 2.195 2.027 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.629 0.064 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.494 1.304 -1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.803 1.132 0.641 1.00 0.00 H new ATOM 1018 N GLU A 615 2.898 1.933 2.581 1.00 0.00 N ATOM 1019 CA GLU A 615 2.307 1.616 3.873 1.00 0.00 C ATOM 1020 C GLU A 615 1.126 2.536 4.166 1.00 0.00 C ATOM 1021 O GLU A 615 0.068 2.070 4.577 1.00 0.00 O ATOM 1022 CB GLU A 615 3.354 1.682 4.994 1.00 0.00 C ATOM 1023 CG GLU A 615 4.118 2.992 5.064 1.00 0.00 C ATOM 1024 CD GLU A 615 5.059 3.046 6.248 1.00 0.00 C ATOM 1025 OE1 GLU A 615 6.171 2.485 6.161 1.00 0.00 O ATOM 1026 OE2 GLU A 615 4.687 3.646 7.278 1.00 0.00 O ATOM 0 H GLU A 615 3.838 2.326 2.625 1.00 0.00 H new ATOM 0 HA GLU A 615 1.935 0.592 3.832 1.00 0.00 H new ATOM 0 HB2 GLU A 615 2.856 1.514 5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 615 4.066 0.868 4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.687 3.128 4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.411 3.819 5.127 1.00 0.00 H new ATOM 1033 N GLN A 616 1.291 3.833 3.914 1.00 0.00 N ATOM 1034 CA GLN A 616 0.206 4.790 4.108 1.00 0.00 C ATOM 1035 C GLN A 616 -1.020 4.390 3.298 1.00 0.00 C ATOM 1036 O GLN A 616 -2.138 4.397 3.808 1.00 0.00 O ATOM 1037 CB GLN A 616 0.650 6.204 3.721 1.00 0.00 C ATOM 1038 CG GLN A 616 1.587 6.845 4.730 1.00 0.00 C ATOM 1039 CD GLN A 616 0.916 7.090 6.065 1.00 0.00 C ATOM 1040 OE1 GLN A 616 -0.289 7.325 6.132 1.00 0.00 O ATOM 1041 NE2 GLN A 616 1.687 7.030 7.137 1.00 0.00 N ATOM 0 H GLN A 616 2.162 4.243 3.577 1.00 0.00 H new ATOM 0 HA GLN A 616 -0.057 4.784 5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 616 1.145 6.167 2.750 1.00 0.00 H new ATOM 0 HB3 GLN A 616 -0.232 6.834 3.606 1.00 0.00 H new ATOM 0 HG2 GLN A 616 2.455 6.202 4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 616 1.954 7.791 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 616 2.683 6.832 7.039 1.00 0.00 H new ATOM 0 HE22 GLN A 616 1.286 7.181 8.063 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.794 4.015 2.042 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.873 3.597 1.160 1.00 0.00 C ATOM 1052 C GLU A 617 -2.491 2.295 1.663 1.00 0.00 C ATOM 1053 O GLU A 617 -3.708 2.153 1.709 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.347 3.408 -0.265 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.434 3.180 -1.302 1.00 0.00 C ATOM 1056 CD GLU A 617 -3.196 4.442 -1.642 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -2.774 5.154 -2.575 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -4.221 4.718 -0.988 1.00 0.00 O ATOM 0 H GLU A 617 0.131 3.993 1.613 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.639 4.373 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.769 4.288 -0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.663 2.560 -0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -1.985 2.777 -2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -3.132 2.429 -0.931 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.633 1.360 2.057 1.00 0.00 N ATOM 1066 CA LEU A 618 -2.064 0.039 2.502 1.00 0.00 C ATOM 1067 C LEU A 618 -3.033 0.126 3.672 1.00 0.00 C ATOM 1068 O LEU A 618 -4.135 -0.418 3.619 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.846 -0.804 2.897 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.159 -2.186 3.477 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -2.002 -2.994 2.510 1.00 0.00 C ATOM 1072 CD2 LEU A 618 0.125 -2.931 3.801 1.00 0.00 C ATOM 0 H LEU A 618 -0.622 1.495 2.077 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.586 -0.436 1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.215 -0.933 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.262 -0.246 3.629 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.725 -2.048 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -2.213 -3.973 2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.939 -2.471 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.460 -3.120 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.117 -3.911 4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.714 -3.054 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.701 -2.363 4.532 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.626 0.825 4.720 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.400 0.849 5.950 1.00 0.00 C ATOM 1086 C GLU A 619 -4.696 1.626 5.768 1.00 0.00 C ATOM 1087 O GLU A 619 -5.746 1.203 6.249 1.00 0.00 O ATOM 1088 CB GLU A 619 -2.579 1.436 7.092 1.00 0.00 C ATOM 1089 CG GLU A 619 -1.120 1.024 7.043 1.00 0.00 C ATOM 1090 CD GLU A 619 -0.341 1.429 8.278 1.00 0.00 C ATOM 1091 OE1 GLU A 619 0.129 2.585 8.346 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -0.194 0.594 9.192 1.00 0.00 O ATOM 0 H GLU A 619 -1.770 1.379 4.744 1.00 0.00 H new ATOM 0 HA GLU A 619 -3.657 -0.180 6.203 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -2.645 2.523 7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -3.009 1.119 8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.059 -0.058 6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -0.653 1.470 6.165 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.636 2.747 5.057 1.00 0.00 N ATOM 1100 CA GLN A 620 -5.840 3.539 4.824 1.00 0.00 C ATOM 1101 C GLN A 620 -6.804 2.784 3.922 1.00 0.00 C ATOM 1102 O GLN A 620 -8.024 2.879 4.075 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.525 4.912 4.223 1.00 0.00 C ATOM 1104 CG GLN A 620 -5.034 4.893 2.784 1.00 0.00 C ATOM 1105 CD GLN A 620 -4.657 6.278 2.293 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -5.182 7.283 2.774 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -3.771 6.347 1.317 1.00 0.00 N ATOM 0 H GLN A 620 -3.785 3.123 4.639 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.306 3.706 5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -6.423 5.528 4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -4.769 5.397 4.841 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -4.170 4.233 2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -5.811 4.480 2.141 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -3.357 5.493 0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -3.501 7.254 0.937 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.251 2.022 2.989 1.00 0.00 N ATOM 1117 CA ALA A 621 -7.063 1.210 2.110 1.00 0.00 C ATOM 1118 C ALA A 621 -7.702 0.080 2.900 1.00 0.00 C ATOM 1119 O ALA A 621 -8.847 -0.286 2.663 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.235 0.657 0.961 1.00 0.00 C ATOM 0 H ALA A 621 -5.247 1.953 2.826 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.848 1.835 1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.869 0.050 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.814 1.482 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.427 0.042 1.358 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.946 -0.461 3.849 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.444 -1.488 4.752 1.00 0.00 C ATOM 1128 C PHE A 622 -8.648 -0.976 5.537 1.00 0.00 C ATOM 1129 O PHE A 622 -9.667 -1.660 5.653 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.343 -1.903 5.724 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.853 -3.305 5.524 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.646 -4.389 5.868 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.594 -3.540 4.994 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -6.192 -5.680 5.686 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -4.134 -4.829 4.812 1.00 0.00 C ATOM 1136 CZ PHE A 622 -4.934 -5.902 5.158 1.00 0.00 C ATOM 0 H PHE A 622 -5.974 -0.200 4.012 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.751 -2.349 4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.503 -1.217 5.620 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.714 -1.800 6.744 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.629 -4.222 6.283 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.966 -2.705 4.720 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.820 -6.516 5.956 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -3.150 -4.999 4.400 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.577 -6.911 5.016 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.512 0.235 6.070 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.592 0.886 6.804 1.00 0.00 C ATOM 1148 C GLU A 623 -10.826 1.027 5.919 1.00 0.00 C ATOM 1149 O GLU A 623 -11.952 0.795 6.361 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.144 2.265 7.290 1.00 0.00 C ATOM 1151 CG GLU A 623 -7.978 2.234 8.263 1.00 0.00 C ATOM 1152 CD GLU A 623 -7.570 3.622 8.712 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -6.831 4.301 7.972 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -8.000 4.050 9.803 1.00 0.00 O ATOM 0 H GLU A 623 -7.658 0.788 6.006 1.00 0.00 H new ATOM 0 HA GLU A 623 -9.844 0.269 7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -8.866 2.869 6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -9.988 2.761 7.768 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -8.250 1.638 9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -7.127 1.742 7.792 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.596 1.408 4.667 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.666 1.514 3.684 1.00 0.00 C ATOM 1163 C ARG A 624 -12.304 0.151 3.446 1.00 0.00 C ATOM 1164 O ARG A 624 -13.527 0.018 3.422 1.00 0.00 O ATOM 1165 CB ARG A 624 -11.117 2.058 2.359 1.00 0.00 C ATOM 1166 CG ARG A 624 -12.167 2.187 1.268 1.00 0.00 C ATOM 1167 CD ARG A 624 -13.079 3.380 1.501 1.00 0.00 C ATOM 1168 NE ARG A 624 -12.412 4.645 1.190 1.00 0.00 N ATOM 1169 CZ ARG A 624 -12.509 5.746 1.933 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -13.228 5.740 3.047 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -11.883 6.857 1.565 1.00 0.00 N ATOM 0 H ARG A 624 -9.672 1.650 4.308 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.420 2.200 4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.668 3.035 2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.321 1.401 2.009 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.675 2.289 0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.764 1.276 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.973 3.280 0.885 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.407 3.389 2.540 1.00 0.00 H new ATOM 0 HE ARG A 624 -11.835 4.686 0.350 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -13.710 4.890 3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -13.299 6.586 3.613 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -11.326 6.869 0.711 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -11.959 7.699 2.136 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.456 -0.856 3.294 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.886 -2.200 2.941 1.00 0.00 C ATOM 1187 C TRP A 625 -12.875 -2.771 3.947 1.00 0.00 C ATOM 1188 O TRP A 625 -13.951 -3.235 3.566 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.679 -3.130 2.818 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.071 -4.535 2.497 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.573 -4.998 1.315 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -11.008 -5.659 3.378 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -11.832 -6.343 1.410 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.493 -6.771 2.669 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.591 -5.829 4.701 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.570 -8.038 3.239 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.669 -7.087 5.266 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -11.157 -8.175 4.538 1.00 0.00 C ATOM 0 H TRP A 625 -10.447 -0.763 3.413 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.395 -2.130 1.979 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.013 -2.755 2.041 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.118 -3.117 3.752 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -11.742 -4.395 0.435 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.214 -6.928 0.667 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -10.215 -4.992 5.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -11.942 -8.883 2.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -10.348 -7.232 6.287 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -11.210 -9.145 5.010 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.520 -2.737 5.223 1.00 0.00 N ATOM 1210 CA GLU A 626 -13.376 -3.312 6.249 1.00 0.00 C ATOM 1211 C GLU A 626 -14.708 -2.573 6.330 1.00 0.00 C ATOM 1212 O GLU A 626 -15.738 -3.170 6.642 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.680 -3.314 7.606 1.00 0.00 C ATOM 1214 CG GLU A 626 -11.443 -4.196 7.652 1.00 0.00 C ATOM 1215 CD GLU A 626 -11.285 -4.877 8.990 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -11.881 -5.963 9.181 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -10.590 -4.327 9.866 1.00 0.00 O ATOM 0 H GLU A 626 -11.655 -2.322 5.570 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.578 -4.346 5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -12.398 -2.293 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -13.385 -3.650 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.505 -4.949 6.867 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.559 -3.592 7.446 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.685 -1.280 6.033 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.911 -0.495 5.950 1.00 0.00 C ATOM 1226 C TYR A 627 -16.751 -0.955 4.762 1.00 0.00 C ATOM 1227 O TYR A 627 -17.970 -1.088 4.869 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.573 1.003 5.846 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.592 1.844 5.089 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.925 1.927 5.491 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -16.207 2.552 3.957 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.836 2.692 4.784 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -17.112 3.317 3.249 1.00 0.00 C ATOM 1234 CZ TYR A 627 -18.423 3.383 3.665 1.00 0.00 C ATOM 1235 OH TYR A 627 -19.326 4.143 2.957 1.00 0.00 O ATOM 0 H TYR A 627 -13.832 -0.753 5.846 1.00 0.00 H new ATOM 0 HA TYR A 627 -16.497 -0.648 6.856 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -15.468 1.407 6.853 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.604 1.108 5.358 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -18.251 1.386 6.367 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -15.181 2.503 3.625 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.865 2.747 5.107 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -16.793 3.861 2.372 1.00 0.00 H new ATOM 0 HH TYR A 627 -18.873 4.566 2.197 1.00 0.00 H new ATOM 1245 N LEU A 628 -16.094 -1.222 3.645 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.789 -1.622 2.431 1.00 0.00 C ATOM 1247 C LEU A 628 -17.448 -2.986 2.597 1.00 0.00 C ATOM 1248 O LEU A 628 -18.619 -3.154 2.265 1.00 0.00 O ATOM 1249 CB LEU A 628 -15.832 -1.640 1.238 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.155 -0.306 0.928 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.363 -0.397 -0.364 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.182 0.811 0.850 1.00 0.00 C ATOM 0 H LEU A 628 -15.080 -1.169 3.553 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.570 -0.886 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.060 -2.387 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.383 -1.963 0.355 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.463 -0.077 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -13.888 0.563 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.598 -1.167 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.034 -0.652 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -15.679 1.753 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -16.901 0.589 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -16.703 0.894 1.804 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.696 -3.954 3.114 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.239 -5.286 3.370 1.00 0.00 C ATOM 1266 C GLU A 629 -18.384 -5.222 4.375 1.00 0.00 C ATOM 1267 O GLU A 629 -19.397 -5.907 4.224 1.00 0.00 O ATOM 1268 CB GLU A 629 -16.149 -6.230 3.881 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.376 -6.930 2.777 1.00 0.00 C ATOM 1270 CD GLU A 629 -16.245 -7.877 1.967 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -16.669 -8.918 2.514 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -16.518 -7.586 0.782 1.00 0.00 O ATOM 0 H GLU A 629 -15.713 -3.843 3.363 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.623 -5.674 2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.451 -5.664 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.605 -6.982 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -14.942 -6.183 2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.548 -7.487 3.215 1.00 0.00 H new ATOM 1279 N ALA A 630 -18.222 -4.382 5.391 1.00 0.00 N ATOM 1280 CA ALA A 630 -19.255 -4.202 6.401 1.00 0.00 C ATOM 1281 C ALA A 630 -20.503 -3.580 5.791 1.00 0.00 C ATOM 1282 O ALA A 630 -21.624 -4.016 6.065 1.00 0.00 O ATOM 1283 CB ALA A 630 -18.737 -3.336 7.537 1.00 0.00 C ATOM 0 H ALA A 630 -17.386 -3.816 5.536 1.00 0.00 H new ATOM 0 HA ALA A 630 -19.519 -5.182 6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.520 -3.210 8.285 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.872 -3.816 7.995 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.447 -2.360 7.147 1.00 0.00 H new ATOM 1289 N LEU A 631 -20.299 -2.568 4.954 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.396 -1.881 4.287 1.00 0.00 C ATOM 1291 C LEU A 631 -22.108 -2.829 3.331 1.00 0.00 C ATOM 1292 O LEU A 631 -23.333 -2.839 3.241 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.871 -0.678 3.503 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.922 0.379 3.168 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -22.213 1.227 4.391 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -21.463 1.250 2.013 1.00 0.00 C ATOM 0 H LEU A 631 -19.375 -2.204 4.721 1.00 0.00 H new ATOM 0 HA LEU A 631 -22.097 -1.538 5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -20.074 -0.207 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.426 -1.034 2.574 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.838 -0.127 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.963 1.978 4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.587 0.592 5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -21.298 1.722 4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -22.228 1.995 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.534 1.752 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -21.297 0.629 1.133 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.313 -3.639 2.640 1.00 0.00 N ATOM 1309 CA LYS A 632 -21.818 -4.572 1.642 1.00 0.00 C ATOM 1310 C LYS A 632 -22.739 -5.610 2.279 1.00 0.00 C ATOM 1311 O LYS A 632 -23.655 -6.131 1.641 1.00 0.00 O ATOM 1312 CB LYS A 632 -20.648 -5.289 0.965 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.046 -6.103 -0.254 1.00 0.00 C ATOM 1314 CD LYS A 632 -19.973 -7.117 -0.611 1.00 0.00 C ATOM 1315 CE LYS A 632 -19.816 -8.169 0.477 1.00 0.00 C ATOM 1316 NZ LYS A 632 -18.695 -9.099 0.195 1.00 0.00 N ATOM 0 H LYS A 632 -20.300 -3.666 2.757 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.386 -4.005 0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -19.904 -4.549 0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.171 -5.948 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -21.987 -6.618 -0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -21.216 -5.437 -1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -20.228 -7.602 -1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -19.023 -6.605 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -19.646 -7.677 1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -20.742 -8.736 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -18.569 -9.746 1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -18.908 -9.649 -0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -17.821 -8.555 0.049 1.00 0.00 H new