USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=12 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 Single : A 563 SER OG : rot 39:sc= 0.111 USER MOD Single : A 564 TYR OH : rot 180:sc= 0 USER MOD Single : A 565 LYS NZ :NH3+ -158:sc= 0.405 (180deg=-0.382) USER MOD Single : A 567 GLN : amide:sc= -0.334 K(o=-0.33,f=-2.7!) USER MOD Single : A 572 GLN : amide:sc= -0.0684 K(o=-0.068,f=-2.1!) USER MOD Single : A 575 GLN : amide:sc= -1.16! K(o=-1.2!,f=-0.01) USER MOD Single : A 583 LYS NZ :NH3+ 173:sc= 1.03 (180deg=0.994) USER MOD Single : A 588 GLN : amide:sc= -2.33! K(o=-2.3!,f=-0.064) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= 0.386 X(o=0.39,f=-0.012) USER MOD Single : A 595 SER OG : rot 180:sc= 0 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 599 GLN : amide:sc= -0.973 K(o=-0.97,f=0) USER MOD Single : A 601 HIS : no HD1:sc= -2.01! C(o=-2!,f=-3.1!) USER MOD Single : A 603 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 604 THR OG1 : rot -79:sc= -0.127 USER MOD Single : A 605 GLN : amide:sc= -0.555 K(o=-0.56,f=-1.1) USER MOD Single : A 606 LYS NZ :NH3+ 160:sc= -0.0601 (180deg=-0.408) USER MOD Single : A 611 MET CE :methyl 163:sc= -1.22 (180deg=-1.71) USER MOD Single : A 616 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.62) USER MOD Single : A 620 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.2) USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ 179:sc= 1.15 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 198 N SER A 563 -22.680 1.038 -2.824 1.00 0.00 N ATOM 199 CA SER A 563 -22.833 1.667 -4.125 1.00 0.00 C ATOM 200 C SER A 563 -21.968 0.963 -5.169 1.00 0.00 C ATOM 201 O SER A 563 -20.994 0.308 -4.807 1.00 0.00 O ATOM 202 CB SER A 563 -22.420 3.132 -3.993 1.00 0.00 C ATOM 203 OG SER A 563 -23.208 3.792 -3.017 1.00 0.00 O ATOM 0 HA SER A 563 -23.870 1.595 -4.453 1.00 0.00 H new ATOM 0 HB2 SER A 563 -21.367 3.194 -3.719 1.00 0.00 H new ATOM 0 HB3 SER A 563 -22.529 3.633 -4.955 1.00 0.00 H new ATOM 0 HG SER A 563 -23.363 3.190 -2.260 1.00 0.00 H new ATOM 209 N TYR A 564 -22.296 1.095 -6.452 1.00 0.00 N ATOM 210 CA TYR A 564 -21.532 0.401 -7.489 1.00 0.00 C ATOM 211 C TYR A 564 -20.072 0.818 -7.475 1.00 0.00 C ATOM 212 O TYR A 564 -19.184 -0.019 -7.667 1.00 0.00 O ATOM 213 CB TYR A 564 -22.098 0.624 -8.887 1.00 0.00 C ATOM 214 CG TYR A 564 -21.337 -0.164 -9.932 1.00 0.00 C ATOM 215 CD1 TYR A 564 -21.684 -1.475 -10.227 1.00 0.00 C ATOM 216 CD2 TYR A 564 -20.239 0.387 -10.586 1.00 0.00 C ATOM 217 CE1 TYR A 564 -20.961 -2.214 -11.140 1.00 0.00 C ATOM 218 CE2 TYR A 564 -19.516 -0.345 -11.505 1.00 0.00 C ATOM 219 CZ TYR A 564 -19.878 -1.645 -11.778 1.00 0.00 C ATOM 220 OH TYR A 564 -19.147 -2.379 -12.682 1.00 0.00 O ATOM 0 H TYR A 564 -23.070 1.664 -6.796 1.00 0.00 H new ATOM 0 HA TYR A 564 -21.613 -0.660 -7.253 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -23.148 0.333 -8.905 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -22.057 1.686 -9.131 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -22.534 -1.924 -9.734 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -19.948 1.405 -10.370 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -21.242 -3.235 -11.355 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -18.670 0.100 -12.008 1.00 0.00 H new ATOM 0 HH TYR A 564 -18.420 -1.827 -13.040 1.00 0.00 H new ATOM 230 N LYS A 565 -19.813 2.103 -7.249 1.00 0.00 N ATOM 231 CA LYS A 565 -18.442 2.586 -7.210 1.00 0.00 C ATOM 232 C LYS A 565 -17.655 1.836 -6.152 1.00 0.00 C ATOM 233 O LYS A 565 -16.455 1.681 -6.266 1.00 0.00 O ATOM 234 CB LYS A 565 -18.358 4.094 -6.971 1.00 0.00 C ATOM 235 CG LYS A 565 -18.647 4.528 -5.553 1.00 0.00 C ATOM 236 CD LYS A 565 -18.315 5.993 -5.363 1.00 0.00 C ATOM 237 CE LYS A 565 -16.818 6.266 -5.479 1.00 0.00 C ATOM 238 NZ LYS A 565 -16.021 5.596 -4.411 1.00 0.00 N ATOM 0 H LYS A 565 -20.525 2.817 -7.093 1.00 0.00 H new ATOM 0 HA LYS A 565 -18.004 2.397 -8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -17.360 4.436 -7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -19.060 4.593 -7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -19.698 4.355 -5.322 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -18.064 3.925 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -18.849 6.584 -6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -18.667 6.319 -4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -16.467 5.928 -6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -16.645 7.341 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -15.110 6.085 -4.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -16.545 5.630 -3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -15.851 4.605 -4.675 1.00 0.00 H new ATOM 252 N LEU A 566 -18.352 1.374 -5.131 1.00 0.00 N ATOM 253 CA LEU A 566 -17.745 0.568 -4.090 1.00 0.00 C ATOM 254 C LEU A 566 -17.812 -0.908 -4.435 1.00 0.00 C ATOM 255 O LEU A 566 -16.956 -1.685 -4.031 1.00 0.00 O ATOM 256 CB LEU A 566 -18.446 0.832 -2.775 1.00 0.00 C ATOM 257 CG LEU A 566 -18.617 2.306 -2.455 1.00 0.00 C ATOM 258 CD1 LEU A 566 -19.129 2.457 -1.053 1.00 0.00 C ATOM 259 CD2 LEU A 566 -17.308 3.055 -2.641 1.00 0.00 C ATOM 0 H LEU A 566 -19.349 1.546 -5.001 1.00 0.00 H new ATOM 0 HA LEU A 566 -16.694 0.843 -4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -19.428 0.358 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -17.881 0.359 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 566 -19.342 2.739 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -19.252 3.515 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -20.090 1.951 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -18.417 2.014 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -17.455 4.109 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -16.552 2.637 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -16.976 2.957 -3.675 1.00 0.00 H new ATOM 271 N GLN A 567 -18.848 -1.283 -5.169 1.00 0.00 N ATOM 272 CA GLN A 567 -19.044 -2.661 -5.584 1.00 0.00 C ATOM 273 C GLN A 567 -17.817 -3.192 -6.310 1.00 0.00 C ATOM 274 O GLN A 567 -17.270 -4.227 -5.944 1.00 0.00 O ATOM 275 CB GLN A 567 -20.282 -2.784 -6.482 1.00 0.00 C ATOM 276 CG GLN A 567 -21.601 -2.644 -5.743 1.00 0.00 C ATOM 277 CD GLN A 567 -22.785 -3.067 -6.587 1.00 0.00 C ATOM 278 OE1 GLN A 567 -23.396 -2.252 -7.279 1.00 0.00 O ATOM 279 NE2 GLN A 567 -23.104 -4.350 -6.549 1.00 0.00 N ATOM 0 H GLN A 567 -19.573 -0.643 -5.492 1.00 0.00 H new ATOM 0 HA GLN A 567 -19.199 -3.261 -4.687 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -20.231 -2.022 -7.259 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -20.259 -3.752 -6.983 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.571 -3.247 -4.836 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -21.732 -1.607 -5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -22.571 -4.991 -5.961 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -23.883 -4.699 -7.107 1.00 0.00 H new ATOM 288 N ARG A 568 -17.374 -2.468 -7.327 1.00 0.00 N ATOM 289 CA ARG A 568 -16.201 -2.885 -8.079 1.00 0.00 C ATOM 290 C ARG A 568 -14.926 -2.478 -7.336 1.00 0.00 C ATOM 291 O ARG A 568 -13.857 -3.053 -7.540 1.00 0.00 O ATOM 292 CB ARG A 568 -16.228 -2.301 -9.496 1.00 0.00 C ATOM 293 CG ARG A 568 -15.608 -0.924 -9.636 1.00 0.00 C ATOM 294 CD ARG A 568 -16.423 0.127 -8.921 1.00 0.00 C ATOM 295 NE ARG A 568 -15.806 1.451 -9.003 1.00 0.00 N ATOM 296 CZ ARG A 568 -16.244 2.448 -9.768 1.00 0.00 C ATOM 297 NH1 ARG A 568 -17.239 2.254 -10.625 1.00 0.00 N ATOM 298 NH2 ARG A 568 -15.666 3.637 -9.684 1.00 0.00 N ATOM 0 H ARG A 568 -17.803 -1.600 -7.647 1.00 0.00 H new ATOM 0 HA ARG A 568 -16.211 -3.971 -8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -15.708 -2.987 -10.165 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -17.264 -2.252 -9.833 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -14.596 -0.937 -9.232 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -15.527 -0.666 -10.692 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -17.423 0.166 -9.353 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -16.539 -0.154 -7.874 1.00 0.00 H new ATOM 0 HE ARG A 568 -14.979 1.623 -8.431 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -17.675 1.335 -10.701 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -17.568 3.024 -11.207 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -14.891 3.783 -9.037 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -15.996 4.407 -10.267 1.00 0.00 H new ATOM 312 N GLU A 569 -15.072 -1.491 -6.458 1.00 0.00 N ATOM 313 CA GLU A 569 -13.963 -0.969 -5.659 1.00 0.00 C ATOM 314 C GLU A 569 -13.500 -2.021 -4.659 1.00 0.00 C ATOM 315 O GLU A 569 -12.317 -2.350 -4.584 1.00 0.00 O ATOM 316 CB GLU A 569 -14.415 0.307 -4.936 1.00 0.00 C ATOM 317 CG GLU A 569 -13.299 1.119 -4.303 1.00 0.00 C ATOM 318 CD GLU A 569 -13.786 2.473 -3.814 1.00 0.00 C ATOM 319 OE1 GLU A 569 -14.343 3.243 -4.631 1.00 0.00 O ATOM 320 OE2 GLU A 569 -13.608 2.782 -2.617 1.00 0.00 O ATOM 0 H GLU A 569 -15.963 -1.028 -6.278 1.00 0.00 H new ATOM 0 HA GLU A 569 -13.124 -0.727 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -14.946 0.940 -5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -15.129 0.032 -4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -12.875 0.563 -3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -12.498 1.262 -5.029 1.00 0.00 H new ATOM 327 N LEU A 570 -14.459 -2.577 -3.931 1.00 0.00 N ATOM 328 CA LEU A 570 -14.194 -3.601 -2.930 1.00 0.00 C ATOM 329 C LEU A 570 -13.625 -4.855 -3.591 1.00 0.00 C ATOM 330 O LEU A 570 -12.910 -5.623 -2.966 1.00 0.00 O ATOM 331 CB LEU A 570 -15.502 -3.930 -2.184 1.00 0.00 C ATOM 332 CG LEU A 570 -15.368 -4.576 -0.794 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.713 -4.573 -0.098 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.852 -6.003 -0.875 1.00 0.00 C ATOM 0 H LEU A 570 -15.445 -2.330 -4.018 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.457 -3.230 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.072 -3.007 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.092 -4.597 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.645 -3.988 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.614 -5.031 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -17.063 -3.547 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -17.431 -5.139 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.773 -6.419 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -15.542 -6.606 -1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.870 -6.009 -1.348 1.00 0.00 H new ATOM 346 N GLU A 571 -13.922 -5.045 -4.865 1.00 0.00 N ATOM 347 CA GLU A 571 -13.529 -6.266 -5.557 1.00 0.00 C ATOM 348 C GLU A 571 -12.108 -6.192 -6.117 1.00 0.00 C ATOM 349 O GLU A 571 -11.519 -7.221 -6.445 1.00 0.00 O ATOM 350 CB GLU A 571 -14.549 -6.611 -6.643 1.00 0.00 C ATOM 351 CG GLU A 571 -15.836 -7.175 -6.062 1.00 0.00 C ATOM 352 CD GLU A 571 -16.870 -7.548 -7.105 1.00 0.00 C ATOM 353 OE1 GLU A 571 -16.486 -7.906 -8.237 1.00 0.00 O ATOM 354 OE2 GLU A 571 -18.079 -7.504 -6.782 1.00 0.00 O ATOM 0 H GLU A 571 -14.431 -4.375 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.520 -7.072 -4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -14.776 -5.717 -7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -14.114 -7.336 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -15.599 -8.058 -5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -16.269 -6.441 -5.382 1.00 0.00 H new ATOM 361 N GLN A 572 -11.553 -4.992 -6.221 1.00 0.00 N ATOM 362 CA GLN A 572 -10.170 -4.847 -6.669 1.00 0.00 C ATOM 363 C GLN A 572 -9.252 -4.491 -5.505 1.00 0.00 C ATOM 364 O GLN A 572 -8.055 -4.772 -5.523 1.00 0.00 O ATOM 365 CB GLN A 572 -10.052 -3.802 -7.785 1.00 0.00 C ATOM 366 CG GLN A 572 -10.619 -2.420 -7.465 1.00 0.00 C ATOM 367 CD GLN A 572 -9.571 -1.453 -6.931 1.00 0.00 C ATOM 368 OE1 GLN A 572 -9.375 -1.324 -5.727 1.00 0.00 O ATOM 369 NE2 GLN A 572 -8.879 -0.773 -7.831 1.00 0.00 N ATOM 0 H GLN A 572 -12.028 -4.116 -6.006 1.00 0.00 H new ATOM 0 HA GLN A 572 -9.854 -5.809 -7.073 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -8.999 -3.691 -8.043 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -10.558 -4.185 -8.671 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -11.067 -2.000 -8.366 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -11.418 -2.523 -6.730 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -9.067 -0.904 -8.825 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -8.157 -0.118 -7.531 1.00 0.00 H new ATOM 378 N LEU A 573 -9.850 -3.883 -4.500 1.00 0.00 N ATOM 379 CA LEU A 573 -9.150 -3.426 -3.297 1.00 0.00 C ATOM 380 C LEU A 573 -8.314 -4.542 -2.628 1.00 0.00 C ATOM 381 O LEU A 573 -7.177 -4.288 -2.255 1.00 0.00 O ATOM 382 CB LEU A 573 -10.186 -2.851 -2.316 1.00 0.00 C ATOM 383 CG LEU A 573 -9.712 -1.686 -1.441 1.00 0.00 C ATOM 384 CD1 LEU A 573 -10.874 -1.111 -0.653 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.604 -2.113 -0.502 1.00 0.00 C ATOM 0 H LEU A 573 -10.851 -3.686 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.436 -2.655 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.053 -2.520 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.523 -3.656 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.313 -0.916 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.522 -0.284 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -11.638 -0.750 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.299 -1.885 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.292 -1.262 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -8.966 -2.909 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -7.755 -2.476 -1.082 1.00 0.00 H new ATOM 397 N PRO A 574 -8.826 -5.786 -2.456 1.00 0.00 N ATOM 398 CA PRO A 574 -8.039 -6.873 -1.854 1.00 0.00 C ATOM 399 C PRO A 574 -6.786 -7.191 -2.669 1.00 0.00 C ATOM 400 O PRO A 574 -5.743 -7.547 -2.115 1.00 0.00 O ATOM 401 CB PRO A 574 -8.993 -8.070 -1.855 1.00 0.00 C ATOM 402 CG PRO A 574 -10.351 -7.476 -1.972 1.00 0.00 C ATOM 403 CD PRO A 574 -10.178 -6.239 -2.803 1.00 0.00 C ATOM 0 HA PRO A 574 -7.682 -6.608 -0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -8.783 -8.742 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -8.895 -8.654 -0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -11.044 -8.172 -2.444 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -10.760 -7.235 -0.991 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.270 -6.454 -3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -10.929 -5.486 -2.564 1.00 0.00 H new ATOM 411 N GLN A 575 -6.896 -7.060 -3.989 1.00 0.00 N ATOM 412 CA GLN A 575 -5.750 -7.233 -4.874 1.00 0.00 C ATOM 413 C GLN A 575 -4.756 -6.114 -4.623 1.00 0.00 C ATOM 414 O GLN A 575 -3.546 -6.313 -4.639 1.00 0.00 O ATOM 415 CB GLN A 575 -6.184 -7.207 -6.341 1.00 0.00 C ATOM 416 CG GLN A 575 -7.228 -8.254 -6.698 1.00 0.00 C ATOM 417 CD GLN A 575 -7.683 -8.158 -8.140 1.00 0.00 C ATOM 418 OE1 GLN A 575 -8.047 -9.159 -8.756 1.00 0.00 O ATOM 419 NE2 GLN A 575 -7.668 -6.953 -8.690 1.00 0.00 N ATOM 0 H GLN A 575 -7.768 -6.835 -4.468 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.291 -8.200 -4.667 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -6.581 -6.219 -6.574 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.307 -7.354 -6.971 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -6.817 -9.247 -6.516 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -8.090 -8.140 -6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -7.359 -6.148 -8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -7.965 -6.830 -9.658 1.00 0.00 H new ATOM 428 N LEU A 576 -5.298 -4.936 -4.376 1.00 0.00 N ATOM 429 CA LEU A 576 -4.502 -3.762 -4.089 1.00 0.00 C ATOM 430 C LEU A 576 -3.826 -3.878 -2.720 1.00 0.00 C ATOM 431 O LEU A 576 -2.704 -3.422 -2.541 1.00 0.00 O ATOM 432 CB LEU A 576 -5.386 -2.519 -4.156 1.00 0.00 C ATOM 433 CG LEU A 576 -4.730 -1.245 -3.649 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.645 -0.778 -4.609 1.00 0.00 C ATOM 435 CD2 LEU A 576 -5.770 -0.159 -3.425 1.00 0.00 C ATOM 0 H LEU A 576 -6.304 -4.768 -4.369 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.713 -3.678 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.696 -2.365 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.291 -2.701 -3.576 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.257 -1.460 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.189 0.135 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -2.884 -1.552 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.084 -0.582 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.280 0.745 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.279 0.056 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.497 -0.498 -2.688 1.00 0.00 H new ATOM 447 N LEU A 577 -4.510 -4.487 -1.760 1.00 0.00 N ATOM 448 CA LEU A 577 -3.918 -4.741 -0.449 1.00 0.00 C ATOM 449 C LEU A 577 -2.697 -5.623 -0.561 1.00 0.00 C ATOM 450 O LEU A 577 -1.635 -5.277 -0.056 1.00 0.00 O ATOM 451 CB LEU A 577 -4.925 -5.372 0.512 1.00 0.00 C ATOM 452 CG LEU A 577 -5.710 -4.403 1.403 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.392 -2.943 1.083 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.206 -4.671 1.303 1.00 0.00 C ATOM 0 H LEU A 577 -5.471 -4.814 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.617 -3.774 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.638 -5.954 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.392 -6.073 1.155 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.395 -4.580 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -5.971 -2.292 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.329 -2.760 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.649 -2.734 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.744 -3.972 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.531 -4.541 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.415 -5.692 1.624 1.00 0.00 H new ATOM 466 N GLU A 578 -2.835 -6.759 -1.223 1.00 0.00 N ATOM 467 CA GLU A 578 -1.696 -7.646 -1.396 1.00 0.00 C ATOM 468 C GLU A 578 -0.648 -6.988 -2.291 1.00 0.00 C ATOM 469 O GLU A 578 0.537 -7.308 -2.207 1.00 0.00 O ATOM 470 CB GLU A 578 -2.114 -9.010 -1.956 1.00 0.00 C ATOM 471 CG GLU A 578 -2.774 -8.956 -3.319 1.00 0.00 C ATOM 472 CD GLU A 578 -3.009 -10.333 -3.897 1.00 0.00 C ATOM 473 OE1 GLU A 578 -4.043 -10.951 -3.576 1.00 0.00 O ATOM 474 OE2 GLU A 578 -2.159 -10.813 -4.671 1.00 0.00 O ATOM 0 H GLU A 578 -3.706 -7.085 -1.642 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.259 -7.824 -0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.233 -9.648 -2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.800 -9.482 -1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -3.726 -8.431 -3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.148 -8.380 -4.001 1.00 0.00 H new ATOM 481 N ASP A 579 -1.096 -6.056 -3.130 1.00 0.00 N ATOM 482 CA ASP A 579 -0.192 -5.263 -3.958 1.00 0.00 C ATOM 483 C ASP A 579 0.697 -4.420 -3.067 1.00 0.00 C ATOM 484 O ASP A 579 1.918 -4.522 -3.107 1.00 0.00 O ATOM 485 CB ASP A 579 -0.970 -4.314 -4.873 1.00 0.00 C ATOM 486 CG ASP A 579 -0.228 -4.005 -6.159 1.00 0.00 C ATOM 487 OD1 ASP A 579 0.780 -3.272 -6.107 1.00 0.00 O ATOM 488 OD2 ASP A 579 -0.656 -4.482 -7.231 1.00 0.00 O ATOM 0 H ASP A 579 -2.083 -5.832 -3.254 1.00 0.00 H new ATOM 0 HA ASP A 579 0.396 -5.952 -4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -1.936 -4.758 -5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.170 -3.384 -4.341 1.00 0.00 H new ATOM 493 N LEU A 580 0.051 -3.598 -2.251 1.00 0.00 N ATOM 494 CA LEU A 580 0.728 -2.661 -1.368 1.00 0.00 C ATOM 495 C LEU A 580 1.519 -3.390 -0.296 1.00 0.00 C ATOM 496 O LEU A 580 2.563 -2.920 0.140 1.00 0.00 O ATOM 497 CB LEU A 580 -0.300 -1.745 -0.714 1.00 0.00 C ATOM 498 CG LEU A 580 -1.180 -0.974 -1.689 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.306 -0.280 -0.946 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.345 0.025 -2.471 1.00 0.00 C ATOM 0 H LEU A 580 -0.966 -3.563 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 580 1.425 -2.071 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -0.939 -2.344 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.223 -1.032 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.623 -1.675 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -2.927 0.267 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -2.914 -1.023 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -1.888 0.415 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -0.985 0.570 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 580 0.123 0.727 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.427 -0.504 -3.029 1.00 0.00 H new ATOM 512 N GLU A 581 1.003 -4.532 0.132 1.00 0.00 N ATOM 513 CA GLU A 581 1.693 -5.370 1.098 1.00 0.00 C ATOM 514 C GLU A 581 3.016 -5.843 0.514 1.00 0.00 C ATOM 515 O GLU A 581 4.083 -5.607 1.083 1.00 0.00 O ATOM 516 CB GLU A 581 0.826 -6.575 1.466 1.00 0.00 C ATOM 517 CG GLU A 581 1.406 -7.414 2.586 1.00 0.00 C ATOM 518 CD GLU A 581 1.186 -6.805 3.955 1.00 0.00 C ATOM 519 OE1 GLU A 581 0.053 -6.909 4.477 1.00 0.00 O ATOM 520 OE2 GLU A 581 2.145 -6.247 4.522 1.00 0.00 O ATOM 0 H GLU A 581 0.103 -4.900 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 581 1.885 -4.788 1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.164 -6.225 1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.694 -7.201 0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 581 0.957 -8.407 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 581 2.475 -7.544 2.419 1.00 0.00 H new ATOM 527 N ALA A 582 2.933 -6.480 -0.651 1.00 0.00 N ATOM 528 CA ALA A 582 4.112 -6.967 -1.358 1.00 0.00 C ATOM 529 C ALA A 582 5.002 -5.803 -1.782 1.00 0.00 C ATOM 530 O ALA A 582 6.214 -5.952 -1.938 1.00 0.00 O ATOM 531 CB ALA A 582 3.694 -7.781 -2.574 1.00 0.00 C ATOM 0 H ALA A 582 2.052 -6.672 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 582 4.681 -7.607 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.582 -8.140 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 582 3.093 -8.632 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 582 3.107 -7.155 -3.247 1.00 0.00 H new ATOM 537 N LYS A 583 4.385 -4.644 -1.955 1.00 0.00 N ATOM 538 CA LYS A 583 5.093 -3.436 -2.349 1.00 0.00 C ATOM 539 C LYS A 583 5.930 -2.925 -1.188 1.00 0.00 C ATOM 540 O LYS A 583 7.115 -2.630 -1.339 1.00 0.00 O ATOM 541 CB LYS A 583 4.090 -2.367 -2.789 1.00 0.00 C ATOM 542 CG LYS A 583 4.737 -1.065 -3.219 1.00 0.00 C ATOM 543 CD LYS A 583 3.708 0.026 -3.455 1.00 0.00 C ATOM 544 CE LYS A 583 4.393 1.328 -3.806 1.00 0.00 C ATOM 545 NZ LYS A 583 3.437 2.436 -4.050 1.00 0.00 N ATOM 0 H LYS A 583 3.381 -4.515 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 583 5.754 -3.664 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.495 -2.757 -3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.402 -2.167 -1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.442 -0.740 -2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.310 -1.228 -4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 583 3.035 -0.268 -4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 583 3.097 0.158 -2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 583 5.067 1.608 -2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 583 5.006 1.182 -4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 3.961 3.327 -4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 2.890 2.239 -4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 2.790 2.521 -3.240 1.00 0.00 H new ATOM 559 N LEU A 584 5.300 -2.847 -0.023 1.00 0.00 N ATOM 560 CA LEU A 584 5.969 -2.411 1.187 1.00 0.00 C ATOM 561 C LEU A 584 7.112 -3.362 1.510 1.00 0.00 C ATOM 562 O LEU A 584 8.224 -2.924 1.794 1.00 0.00 O ATOM 563 CB LEU A 584 4.954 -2.334 2.343 1.00 0.00 C ATOM 564 CG LEU A 584 5.468 -1.744 3.664 1.00 0.00 C ATOM 565 CD1 LEU A 584 6.209 -2.794 4.480 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.362 -0.541 3.391 1.00 0.00 C ATOM 0 H LEU A 584 4.316 -3.084 0.105 1.00 0.00 H new ATOM 0 HA LEU A 584 6.389 -1.416 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 584 4.103 -1.739 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.583 -3.340 2.539 1.00 0.00 H new ATOM 0 HG LEU A 584 4.610 -1.414 4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.562 -2.349 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.536 -3.621 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 584 7.060 -3.165 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.720 -0.132 4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 584 7.213 -0.850 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 584 5.794 0.221 2.858 1.00 0.00 H new ATOM 578 N GLU A 585 6.835 -4.663 1.441 1.00 0.00 N ATOM 579 CA GLU A 585 7.862 -5.683 1.643 1.00 0.00 C ATOM 580 C GLU A 585 9.059 -5.451 0.721 1.00 0.00 C ATOM 581 O GLU A 585 10.212 -5.517 1.151 1.00 0.00 O ATOM 582 CB GLU A 585 7.273 -7.068 1.375 1.00 0.00 C ATOM 583 CG GLU A 585 6.173 -7.462 2.344 1.00 0.00 C ATOM 584 CD GLU A 585 6.691 -7.734 3.737 1.00 0.00 C ATOM 585 OE1 GLU A 585 6.888 -6.770 4.505 1.00 0.00 O ATOM 586 OE2 GLU A 585 6.890 -8.919 4.075 1.00 0.00 O ATOM 0 H GLU A 585 5.906 -5.036 1.246 1.00 0.00 H new ATOM 0 HA GLU A 585 8.205 -5.620 2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 585 6.877 -7.094 0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 585 8.071 -7.808 1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 585 5.430 -6.666 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 585 5.666 -8.351 1.969 1.00 0.00 H new ATOM 593 N ALA A 586 8.771 -5.146 -0.540 1.00 0.00 N ATOM 594 CA ALA A 586 9.806 -4.960 -1.551 1.00 0.00 C ATOM 595 C ALA A 586 10.636 -3.717 -1.267 1.00 0.00 C ATOM 596 O ALA A 586 11.861 -3.717 -1.409 1.00 0.00 O ATOM 597 CB ALA A 586 9.173 -4.856 -2.930 1.00 0.00 C ATOM 0 H ALA A 586 7.820 -5.021 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 586 10.468 -5.825 -1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.953 -4.717 -3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.620 -5.770 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.491 -4.006 -2.954 1.00 0.00 H new ATOM 603 N LEU A 587 9.961 -2.655 -0.867 1.00 0.00 N ATOM 604 CA LEU A 587 10.617 -1.387 -0.595 1.00 0.00 C ATOM 605 C LEU A 587 11.360 -1.429 0.735 1.00 0.00 C ATOM 606 O LEU A 587 12.495 -0.973 0.835 1.00 0.00 O ATOM 607 CB LEU A 587 9.585 -0.259 -0.603 1.00 0.00 C ATOM 608 CG LEU A 587 8.869 -0.065 -1.940 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.660 0.830 -1.771 1.00 0.00 C ATOM 610 CD2 LEU A 587 9.817 0.521 -2.974 1.00 0.00 C ATOM 0 H LEU A 587 8.951 -2.645 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 587 11.352 -1.200 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.841 -0.459 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 587 10.082 0.673 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 587 8.533 -1.040 -2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.164 0.956 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 587 6.967 0.376 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 587 7.977 1.803 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.289 0.652 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.183 1.487 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.660 -0.155 -3.120 1.00 0.00 H new ATOM 622 N GLN A 588 10.737 -2.014 1.745 1.00 0.00 N ATOM 623 CA GLN A 588 11.324 -2.062 3.077 1.00 0.00 C ATOM 624 C GLN A 588 12.554 -2.953 3.120 1.00 0.00 C ATOM 625 O GLN A 588 13.473 -2.691 3.881 1.00 0.00 O ATOM 626 CB GLN A 588 10.300 -2.547 4.103 1.00 0.00 C ATOM 627 CG GLN A 588 9.479 -1.429 4.731 1.00 0.00 C ATOM 628 CD GLN A 588 10.202 -0.710 5.861 1.00 0.00 C ATOM 629 OE1 GLN A 588 9.566 -0.184 6.777 1.00 0.00 O ATOM 630 NE2 GLN A 588 11.527 -0.693 5.826 1.00 0.00 N ATOM 0 H GLN A 588 9.824 -2.463 1.669 1.00 0.00 H new ATOM 0 HA GLN A 588 11.631 -1.047 3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.625 -3.254 3.621 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.820 -3.090 4.892 1.00 0.00 H new ATOM 0 HG2 GLN A 588 9.215 -0.705 3.960 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.546 -1.844 5.112 1.00 0.00 H new ATOM 0 HE21 GLN A 588 12.023 -1.138 5.053 1.00 0.00 H new ATOM 0 HE22 GLN A 588 12.051 -0.235 6.572 1.00 0.00 H new ATOM 639 N THR A 589 12.581 -3.990 2.299 1.00 0.00 N ATOM 640 CA THR A 589 13.676 -4.946 2.344 1.00 0.00 C ATOM 641 C THR A 589 14.923 -4.407 1.641 1.00 0.00 C ATOM 642 O THR A 589 16.047 -4.799 1.971 1.00 0.00 O ATOM 643 CB THR A 589 13.258 -6.310 1.743 1.00 0.00 C ATOM 644 OG1 THR A 589 14.148 -7.337 2.194 1.00 0.00 O ATOM 645 CG2 THR A 589 13.250 -6.277 0.219 1.00 0.00 C ATOM 0 H THR A 589 11.866 -4.191 1.600 1.00 0.00 H new ATOM 0 HA THR A 589 13.924 -5.100 3.394 1.00 0.00 H new ATOM 0 HB THR A 589 12.244 -6.522 2.082 1.00 0.00 H new ATOM 0 HG1 THR A 589 13.876 -8.197 1.811 1.00 0.00 H new ATOM 0 HG21 THR A 589 12.952 -7.253 -0.164 1.00 0.00 H new ATOM 0 HG22 THR A 589 12.544 -5.521 -0.125 1.00 0.00 H new ATOM 0 HG23 THR A 589 14.248 -6.034 -0.145 1.00 0.00 H new ATOM 653 N GLN A 590 14.744 -3.498 0.688 1.00 0.00 N ATOM 654 CA GLN A 590 15.886 -2.862 0.048 1.00 0.00 C ATOM 655 C GLN A 590 16.362 -1.696 0.901 1.00 0.00 C ATOM 656 O GLN A 590 17.552 -1.399 0.950 1.00 0.00 O ATOM 657 CB GLN A 590 15.554 -2.412 -1.380 1.00 0.00 C ATOM 658 CG GLN A 590 14.420 -1.409 -1.478 1.00 0.00 C ATOM 659 CD GLN A 590 14.056 -1.094 -2.914 1.00 0.00 C ATOM 660 OE1 GLN A 590 14.608 -0.179 -3.521 1.00 0.00 O ATOM 661 NE2 GLN A 590 13.124 -1.856 -3.465 1.00 0.00 N ATOM 0 H GLN A 590 13.833 -3.190 0.347 1.00 0.00 H new ATOM 0 HA GLN A 590 16.692 -3.591 -0.033 1.00 0.00 H new ATOM 0 HB2 GLN A 590 16.447 -1.975 -1.826 1.00 0.00 H new ATOM 0 HB3 GLN A 590 15.298 -3.290 -1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.544 -1.802 -0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 590 14.706 -0.489 -0.967 1.00 0.00 H new ATOM 0 HE21 GLN A 590 12.692 -2.605 -2.924 1.00 0.00 H new ATOM 0 HE22 GLN A 590 12.838 -1.694 -4.431 1.00 0.00 H new ATOM 670 N VAL A 591 15.420 -1.061 1.592 1.00 0.00 N ATOM 671 CA VAL A 591 15.734 -0.013 2.559 1.00 0.00 C ATOM 672 C VAL A 591 16.346 -0.627 3.822 1.00 0.00 C ATOM 673 O VAL A 591 17.094 0.026 4.551 1.00 0.00 O ATOM 674 CB VAL A 591 14.461 0.797 2.920 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.716 1.788 4.045 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.930 1.527 1.696 1.00 0.00 C ATOM 0 H VAL A 591 14.423 -1.256 1.499 1.00 0.00 H new ATOM 0 HA VAL A 591 16.458 0.666 2.109 1.00 0.00 H new ATOM 0 HB VAL A 591 13.714 0.084 3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.798 2.333 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.041 1.251 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.492 2.491 3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 591 13.037 2.090 1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.691 2.212 1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.681 0.803 0.920 1.00 0.00 H new ATOM 686 N ALA A 592 16.035 -1.900 4.053 1.00 0.00 N ATOM 687 CA ALA A 592 16.564 -2.638 5.193 1.00 0.00 C ATOM 688 C ALA A 592 18.071 -2.812 5.068 1.00 0.00 C ATOM 689 O ALA A 592 18.788 -2.903 6.066 1.00 0.00 O ATOM 690 CB ALA A 592 15.897 -4.000 5.299 1.00 0.00 C ATOM 0 H ALA A 592 15.412 -2.445 3.457 1.00 0.00 H new ATOM 0 HA ALA A 592 16.350 -2.066 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 592 16.303 -4.538 6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 592 14.823 -3.870 5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 592 16.086 -4.570 4.389 1.00 0.00 H new ATOM 696 N ASP A 593 18.540 -2.863 3.831 1.00 0.00 N ATOM 697 CA ASP A 593 19.960 -3.004 3.551 1.00 0.00 C ATOM 698 C ASP A 593 20.687 -1.687 3.795 1.00 0.00 C ATOM 699 O ASP A 593 20.300 -0.646 3.270 1.00 0.00 O ATOM 700 CB ASP A 593 20.163 -3.461 2.106 1.00 0.00 C ATOM 701 CG ASP A 593 21.623 -3.620 1.744 1.00 0.00 C ATOM 702 OD1 ASP A 593 22.347 -4.352 2.451 1.00 0.00 O ATOM 703 OD2 ASP A 593 22.052 -3.012 0.746 1.00 0.00 O ATOM 0 H ASP A 593 17.952 -2.808 2.999 1.00 0.00 H new ATOM 0 HA ASP A 593 20.376 -3.755 4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.650 -4.410 1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.702 -2.738 1.432 1.00 0.00 H new ATOM 708 N ALA A 594 21.743 -1.750 4.598 1.00 0.00 N ATOM 709 CA ALA A 594 22.498 -0.564 4.990 1.00 0.00 C ATOM 710 C ALA A 594 23.134 0.129 3.788 1.00 0.00 C ATOM 711 O ALA A 594 23.380 1.336 3.818 1.00 0.00 O ATOM 712 CB ALA A 594 23.565 -0.936 6.010 1.00 0.00 C ATOM 0 H ALA A 594 22.099 -2.620 4.994 1.00 0.00 H new ATOM 0 HA ALA A 594 21.798 0.139 5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 594 24.122 -0.044 6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 594 23.091 -1.365 6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 594 24.247 -1.666 5.573 1.00 0.00 H new ATOM 718 N SER A 595 23.388 -0.631 2.729 1.00 0.00 N ATOM 719 CA SER A 595 23.995 -0.080 1.523 1.00 0.00 C ATOM 720 C SER A 595 22.976 0.719 0.713 1.00 0.00 C ATOM 721 O SER A 595 23.334 1.422 -0.232 1.00 0.00 O ATOM 722 CB SER A 595 24.593 -1.200 0.672 1.00 0.00 C ATOM 723 OG SER A 595 25.527 -1.956 1.425 1.00 0.00 O ATOM 0 H SER A 595 23.183 -1.629 2.681 1.00 0.00 H new ATOM 0 HA SER A 595 24.794 0.598 1.823 1.00 0.00 H new ATOM 0 HB2 SER A 595 23.798 -1.852 0.309 1.00 0.00 H new ATOM 0 HB3 SER A 595 25.083 -0.776 -0.204 1.00 0.00 H new ATOM 0 HG SER A 595 25.898 -2.669 0.865 1.00 0.00 H new ATOM 729 N PHE A 596 21.706 0.626 1.098 1.00 0.00 N ATOM 730 CA PHE A 596 20.650 1.366 0.422 1.00 0.00 C ATOM 731 C PHE A 596 20.889 2.867 0.521 1.00 0.00 C ATOM 732 O PHE A 596 20.890 3.573 -0.485 1.00 0.00 O ATOM 733 CB PHE A 596 19.286 1.021 1.018 1.00 0.00 C ATOM 734 CG PHE A 596 18.187 1.945 0.580 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.623 1.831 -0.680 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.729 2.938 1.429 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.625 2.694 -1.084 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.731 3.800 1.031 1.00 0.00 C ATOM 739 CZ PHE A 596 16.179 3.681 -0.226 1.00 0.00 C ATOM 0 H PHE A 596 21.386 0.046 1.873 1.00 0.00 H new ATOM 0 HA PHE A 596 20.662 1.078 -0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 596 19.024 0.001 0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.358 1.045 2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 596 17.968 1.059 -1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.159 3.038 2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.193 2.598 -2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.381 4.569 1.704 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.399 4.358 -0.540 1.00 0.00 H new ATOM 749 N PHE A 597 21.115 3.342 1.738 1.00 0.00 N ATOM 750 CA PHE A 597 21.273 4.770 1.989 1.00 0.00 C ATOM 751 C PHE A 597 22.614 5.281 1.469 1.00 0.00 C ATOM 752 O PHE A 597 22.918 6.470 1.572 1.00 0.00 O ATOM 753 CB PHE A 597 21.145 5.066 3.482 1.00 0.00 C ATOM 754 CG PHE A 597 19.788 4.754 4.053 1.00 0.00 C ATOM 755 CD1 PHE A 597 18.762 5.682 3.979 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.539 3.534 4.665 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.515 5.401 4.504 1.00 0.00 C ATOM 758 CE2 PHE A 597 18.294 3.248 5.193 1.00 0.00 C ATOM 759 CZ PHE A 597 17.280 4.183 5.112 1.00 0.00 C ATOM 0 H PHE A 597 21.193 2.758 2.570 1.00 0.00 H new ATOM 0 HA PHE A 597 20.480 5.291 1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 597 21.896 4.490 4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.367 6.119 3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 597 18.939 6.636 3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 597 20.328 2.799 4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 597 16.724 6.134 4.439 1.00 0.00 H new ATOM 0 HE2 PHE A 597 18.114 2.295 5.668 1.00 0.00 H new ATOM 0 HZ PHE A 597 16.306 3.962 5.523 1.00 0.00 H new ATOM 769 N SER A 598 23.408 4.382 0.905 1.00 0.00 N ATOM 770 CA SER A 598 24.670 4.757 0.301 1.00 0.00 C ATOM 771 C SER A 598 24.401 5.312 -1.095 1.00 0.00 C ATOM 772 O SER A 598 25.250 5.968 -1.704 1.00 0.00 O ATOM 773 CB SER A 598 25.602 3.541 0.244 1.00 0.00 C ATOM 774 OG SER A 598 26.937 3.920 -0.037 1.00 0.00 O ATOM 0 H SER A 598 23.196 3.386 0.855 1.00 0.00 H new ATOM 0 HA SER A 598 25.161 5.526 0.898 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.567 3.010 1.195 1.00 0.00 H new ATOM 0 HB3 SER A 598 25.251 2.848 -0.521 1.00 0.00 H new ATOM 0 HG SER A 598 27.505 3.122 -0.065 1.00 0.00 H new ATOM 780 N GLN A 599 23.193 5.053 -1.584 1.00 0.00 N ATOM 781 CA GLN A 599 22.754 5.556 -2.876 1.00 0.00 C ATOM 782 C GLN A 599 22.414 7.040 -2.797 1.00 0.00 C ATOM 783 O GLN A 599 22.109 7.563 -1.720 1.00 0.00 O ATOM 784 CB GLN A 599 21.536 4.769 -3.375 1.00 0.00 C ATOM 785 CG GLN A 599 21.877 3.370 -3.847 1.00 0.00 C ATOM 786 CD GLN A 599 20.662 2.565 -4.273 1.00 0.00 C ATOM 787 OE1 GLN A 599 20.741 1.730 -5.174 1.00 0.00 O ATOM 788 NE2 GLN A 599 19.533 2.796 -3.618 1.00 0.00 N ATOM 0 H GLN A 599 22.495 4.491 -1.097 1.00 0.00 H new ATOM 0 HA GLN A 599 23.575 5.425 -3.581 1.00 0.00 H new ATOM 0 HB2 GLN A 599 20.800 4.705 -2.573 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.069 5.317 -4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 599 22.572 3.436 -4.684 1.00 0.00 H new ATOM 0 HG3 GLN A 599 22.393 2.840 -3.046 1.00 0.00 H new ATOM 0 HE21 GLN A 599 19.507 3.496 -2.877 1.00 0.00 H new ATOM 0 HE22 GLN A 599 18.690 2.273 -3.855 1.00 0.00 H new ATOM 797 N PRO A 600 22.501 7.732 -3.941 1.00 0.00 N ATOM 798 CA PRO A 600 22.110 9.141 -4.070 1.00 0.00 C ATOM 799 C PRO A 600 20.718 9.420 -3.503 1.00 0.00 C ATOM 800 O PRO A 600 19.818 8.579 -3.569 1.00 0.00 O ATOM 801 CB PRO A 600 22.104 9.367 -5.583 1.00 0.00 C ATOM 802 CG PRO A 600 23.073 8.375 -6.128 1.00 0.00 C ATOM 803 CD PRO A 600 23.025 7.184 -5.207 1.00 0.00 C ATOM 0 HA PRO A 600 22.784 9.796 -3.518 1.00 0.00 H new ATOM 0 HB2 PRO A 600 21.108 9.216 -6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 600 22.402 10.386 -5.831 1.00 0.00 H new ATOM 0 HG2 PRO A 600 22.806 8.090 -7.146 1.00 0.00 H new ATOM 0 HG3 PRO A 600 24.078 8.795 -6.168 1.00 0.00 H new ATOM 0 HD2 PRO A 600 22.378 6.401 -5.601 1.00 0.00 H new ATOM 0 HD3 PRO A 600 24.013 6.743 -5.073 1.00 0.00 H new ATOM 811 N HIS A 601 20.575 10.626 -2.958 1.00 0.00 N ATOM 812 CA HIS A 601 19.321 11.126 -2.381 1.00 0.00 C ATOM 813 C HIS A 601 18.146 10.920 -3.332 1.00 0.00 C ATOM 814 O HIS A 601 17.052 10.552 -2.911 1.00 0.00 O ATOM 815 CB HIS A 601 19.487 12.623 -2.079 1.00 0.00 C ATOM 816 CG HIS A 601 18.357 13.270 -1.331 1.00 0.00 C ATOM 817 ND1 HIS A 601 18.417 13.552 0.013 1.00 0.00 N ATOM 818 CD2 HIS A 601 17.164 13.748 -1.758 1.00 0.00 C ATOM 819 CE1 HIS A 601 17.315 14.174 0.383 1.00 0.00 C ATOM 820 NE2 HIS A 601 16.536 14.309 -0.673 1.00 0.00 N ATOM 0 H HIS A 601 21.340 11.299 -2.902 1.00 0.00 H new ATOM 0 HA HIS A 601 19.107 10.570 -1.468 1.00 0.00 H new ATOM 0 HB2 HIS A 601 20.403 12.758 -1.504 1.00 0.00 H new ATOM 0 HB3 HIS A 601 19.622 13.152 -3.023 1.00 0.00 H new ATOM 0 HD2 HIS A 601 16.778 13.697 -2.765 1.00 0.00 H new ATOM 0 HE1 HIS A 601 17.088 14.515 1.382 1.00 0.00 H new ATOM 0 HE2 HIS A 601 15.619 14.756 -0.682 1.00 0.00 H new ATOM 829 N GLU A 602 18.380 11.167 -4.613 1.00 0.00 N ATOM 830 CA GLU A 602 17.331 11.062 -5.621 1.00 0.00 C ATOM 831 C GLU A 602 16.885 9.616 -5.835 1.00 0.00 C ATOM 832 O GLU A 602 15.768 9.369 -6.290 1.00 0.00 O ATOM 833 CB GLU A 602 17.811 11.678 -6.934 1.00 0.00 C ATOM 834 CG GLU A 602 18.049 13.174 -6.832 1.00 0.00 C ATOM 835 CD GLU A 602 18.544 13.772 -8.127 1.00 0.00 C ATOM 836 OE1 GLU A 602 17.849 13.631 -9.156 1.00 0.00 O ATOM 837 OE2 GLU A 602 19.623 14.402 -8.124 1.00 0.00 O ATOM 0 H GLU A 602 19.290 11.443 -4.981 1.00 0.00 H new ATOM 0 HA GLU A 602 16.463 11.613 -5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 602 18.735 11.188 -7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 602 17.072 11.485 -7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 602 17.122 13.667 -6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 602 18.776 13.370 -6.044 1.00 0.00 H new ATOM 844 N GLN A 603 17.751 8.667 -5.508 1.00 0.00 N ATOM 845 CA GLN A 603 17.401 7.253 -5.599 1.00 0.00 C ATOM 846 C GLN A 603 16.689 6.835 -4.331 1.00 0.00 C ATOM 847 O GLN A 603 15.579 6.303 -4.354 1.00 0.00 O ATOM 848 CB GLN A 603 18.650 6.380 -5.732 1.00 0.00 C ATOM 849 CG GLN A 603 19.703 6.929 -6.667 1.00 0.00 C ATOM 850 CD GLN A 603 19.269 6.913 -8.117 1.00 0.00 C ATOM 851 OE1 GLN A 603 18.688 7.875 -8.622 1.00 0.00 O ATOM 852 NE2 GLN A 603 19.538 5.810 -8.793 1.00 0.00 N ATOM 0 H GLN A 603 18.699 8.848 -5.178 1.00 0.00 H new ATOM 0 HA GLN A 603 16.769 7.121 -6.477 1.00 0.00 H new ATOM 0 HB2 GLN A 603 19.092 6.248 -4.745 1.00 0.00 H new ATOM 0 HB3 GLN A 603 18.351 5.392 -6.082 1.00 0.00 H new ATOM 0 HG2 GLN A 603 19.943 7.952 -6.376 1.00 0.00 H new ATOM 0 HG3 GLN A 603 20.617 6.345 -6.560 1.00 0.00 H new ATOM 0 HE21 GLN A 603 20.021 5.037 -8.336 1.00 0.00 H new ATOM 0 HE22 GLN A 603 19.262 5.732 -9.772 1.00 0.00 H new ATOM 861 N THR A 604 17.352 7.111 -3.224 1.00 0.00 N ATOM 862 CA THR A 604 16.922 6.654 -1.924 1.00 0.00 C ATOM 863 C THR A 604 15.580 7.244 -1.528 1.00 0.00 C ATOM 864 O THR A 604 14.674 6.515 -1.138 1.00 0.00 O ATOM 865 CB THR A 604 17.980 6.999 -0.870 1.00 0.00 C ATOM 866 OG1 THR A 604 18.318 8.389 -0.953 1.00 0.00 O ATOM 867 CG2 THR A 604 19.228 6.153 -1.080 1.00 0.00 C ATOM 0 H THR A 604 18.210 7.663 -3.206 1.00 0.00 H new ATOM 0 HA THR A 604 16.801 5.572 -1.980 1.00 0.00 H new ATOM 0 HB THR A 604 17.571 6.787 0.118 1.00 0.00 H new ATOM 0 HG1 THR A 604 18.935 8.532 -1.701 1.00 0.00 H new ATOM 0 HG21 THR A 604 19.972 6.408 -0.325 1.00 0.00 H new ATOM 0 HG22 THR A 604 18.971 5.097 -0.994 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.637 6.347 -2.072 1.00 0.00 H new ATOM 875 N GLN A 605 15.450 8.556 -1.644 1.00 0.00 N ATOM 876 CA GLN A 605 14.211 9.231 -1.283 1.00 0.00 C ATOM 877 C GLN A 605 13.067 8.795 -2.182 1.00 0.00 C ATOM 878 O GLN A 605 11.925 8.760 -1.751 1.00 0.00 O ATOM 879 CB GLN A 605 14.383 10.741 -1.347 1.00 0.00 C ATOM 880 CG GLN A 605 15.317 11.285 -0.284 1.00 0.00 C ATOM 881 CD GLN A 605 14.850 10.977 1.126 1.00 0.00 C ATOM 882 OE1 GLN A 605 13.653 10.870 1.390 1.00 0.00 O ATOM 883 NE2 GLN A 605 15.795 10.831 2.039 1.00 0.00 N ATOM 0 H GLN A 605 16.186 9.175 -1.985 1.00 0.00 H new ATOM 0 HA GLN A 605 13.966 8.950 -0.259 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.765 11.015 -2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 605 13.407 11.215 -1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.312 10.864 -0.432 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.406 12.365 -0.404 1.00 0.00 H new ATOM 0 HE21 GLN A 605 16.776 10.928 1.777 1.00 0.00 H new ATOM 0 HE22 GLN A 605 15.543 10.621 3.005 1.00 0.00 H new ATOM 892 N LYS A 606 13.382 8.452 -3.425 1.00 0.00 N ATOM 893 CA LYS A 606 12.389 7.923 -4.347 1.00 0.00 C ATOM 894 C LYS A 606 11.810 6.629 -3.784 1.00 0.00 C ATOM 895 O LYS A 606 10.605 6.387 -3.845 1.00 0.00 O ATOM 896 CB LYS A 606 13.045 7.685 -5.709 1.00 0.00 C ATOM 897 CG LYS A 606 12.092 7.299 -6.818 1.00 0.00 C ATOM 898 CD LYS A 606 11.893 5.801 -6.887 1.00 0.00 C ATOM 899 CE LYS A 606 11.137 5.410 -8.138 1.00 0.00 C ATOM 900 NZ LYS A 606 11.911 5.702 -9.374 1.00 0.00 N ATOM 0 H LYS A 606 14.320 8.532 -3.817 1.00 0.00 H new ATOM 0 HA LYS A 606 11.574 8.636 -4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 606 13.574 8.591 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 606 13.793 6.899 -5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 606 11.131 7.787 -6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 606 12.478 7.659 -7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 606 12.862 5.301 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 606 11.346 5.463 -6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 606 10.902 4.346 -8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 606 10.188 5.946 -8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 11.537 5.134 -10.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 11.827 6.712 -9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 12.912 5.464 -9.221 1.00 0.00 H new ATOM 914 N VAL A 607 12.685 5.815 -3.219 1.00 0.00 N ATOM 915 CA VAL A 607 12.279 4.563 -2.603 1.00 0.00 C ATOM 916 C VAL A 607 11.627 4.816 -1.246 1.00 0.00 C ATOM 917 O VAL A 607 10.553 4.298 -0.964 1.00 0.00 O ATOM 918 CB VAL A 607 13.480 3.614 -2.420 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.037 2.296 -1.803 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.187 3.375 -3.745 1.00 0.00 C ATOM 0 H VAL A 607 13.687 6.000 -3.174 1.00 0.00 H new ATOM 0 HA VAL A 607 11.557 4.092 -3.270 1.00 0.00 H new ATOM 0 HB VAL A 607 14.186 4.090 -1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 607 13.901 1.642 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.586 2.484 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.307 1.817 -2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.031 2.703 -3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 607 13.490 2.927 -4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 607 14.547 4.324 -4.142 1.00 0.00 H new ATOM 930 N LEU A 608 12.284 5.628 -0.421 1.00 0.00 N ATOM 931 CA LEU A 608 11.797 5.948 0.922 1.00 0.00 C ATOM 932 C LEU A 608 10.396 6.542 0.880 1.00 0.00 C ATOM 933 O LEU A 608 9.523 6.173 1.669 1.00 0.00 O ATOM 934 CB LEU A 608 12.748 6.935 1.606 1.00 0.00 C ATOM 935 CG LEU A 608 14.159 6.411 1.857 1.00 0.00 C ATOM 936 CD1 LEU A 608 15.039 7.509 2.431 1.00 0.00 C ATOM 937 CD2 LEU A 608 14.124 5.217 2.795 1.00 0.00 C ATOM 0 H LEU A 608 13.165 6.082 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 608 11.759 5.018 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 608 12.815 7.834 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.313 7.232 2.560 1.00 0.00 H new ATOM 0 HG LEU A 608 14.582 6.090 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 608 16.042 7.118 2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.090 8.340 1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.618 7.857 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 608 15.139 4.856 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.683 5.514 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.525 4.422 2.350 1.00 0.00 H new ATOM 949 N ALA A 609 10.189 7.455 -0.053 1.00 0.00 N ATOM 950 CA ALA A 609 8.918 8.139 -0.189 1.00 0.00 C ATOM 951 C ALA A 609 7.828 7.176 -0.643 1.00 0.00 C ATOM 952 O ALA A 609 6.711 7.198 -0.121 1.00 0.00 O ATOM 953 CB ALA A 609 9.062 9.297 -1.161 1.00 0.00 C ATOM 0 H ALA A 609 10.893 7.741 -0.733 1.00 0.00 H new ATOM 0 HA ALA A 609 8.623 8.532 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.105 9.809 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 609 9.810 9.996 -0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.374 8.918 -2.134 1.00 0.00 H new ATOM 959 N ASP A 610 8.164 6.316 -1.598 1.00 0.00 N ATOM 960 CA ASP A 610 7.219 5.325 -2.099 1.00 0.00 C ATOM 961 C ASP A 610 6.979 4.248 -1.046 1.00 0.00 C ATOM 962 O ASP A 610 5.891 3.682 -0.960 1.00 0.00 O ATOM 963 CB ASP A 610 7.738 4.700 -3.398 1.00 0.00 C ATOM 964 CG ASP A 610 6.714 3.807 -4.076 1.00 0.00 C ATOM 965 OD1 ASP A 610 5.555 4.242 -4.257 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.074 2.678 -4.472 1.00 0.00 O ATOM 0 H ASP A 610 9.083 6.285 -2.040 1.00 0.00 H new ATOM 0 HA ASP A 610 6.272 5.821 -2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.032 5.494 -4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 610 8.634 4.118 -3.182 1.00 0.00 H new ATOM 971 N MET A 611 8.002 3.978 -0.243 1.00 0.00 N ATOM 972 CA MET A 611 7.890 3.041 0.870 1.00 0.00 C ATOM 973 C MET A 611 6.847 3.518 1.867 1.00 0.00 C ATOM 974 O MET A 611 5.939 2.773 2.239 1.00 0.00 O ATOM 975 CB MET A 611 9.237 2.871 1.576 1.00 0.00 C ATOM 976 CG MET A 611 9.148 2.096 2.881 1.00 0.00 C ATOM 977 SD MET A 611 10.753 1.888 3.676 1.00 0.00 S ATOM 978 CE MET A 611 11.146 3.579 4.110 1.00 0.00 C ATOM 0 H MET A 611 8.926 4.398 -0.343 1.00 0.00 H new ATOM 0 HA MET A 611 7.581 2.077 0.465 1.00 0.00 H new ATOM 0 HB2 MET A 611 9.927 2.359 0.905 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.659 3.856 1.776 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.474 2.615 3.562 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.713 1.116 2.688 1.00 0.00 H new ATOM 0 HE1 MET A 611 11.939 3.588 4.858 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.480 4.115 3.221 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.259 4.066 4.515 1.00 0.00 H new ATOM 988 N ALA A 612 6.979 4.767 2.295 1.00 0.00 N ATOM 989 CA ALA A 612 6.033 5.350 3.228 1.00 0.00 C ATOM 990 C ALA A 612 4.642 5.408 2.608 1.00 0.00 C ATOM 991 O ALA A 612 3.647 5.099 3.257 1.00 0.00 O ATOM 992 CB ALA A 612 6.488 6.739 3.651 1.00 0.00 C ATOM 0 H ALA A 612 7.732 5.393 2.009 1.00 0.00 H new ATOM 0 HA ALA A 612 5.989 4.719 4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 612 5.766 7.161 4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.464 6.671 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.560 7.381 2.773 1.00 0.00 H new ATOM 998 N ALA A 613 4.587 5.777 1.332 1.00 0.00 N ATOM 999 CA ALA A 613 3.325 5.850 0.609 1.00 0.00 C ATOM 1000 C ALA A 613 2.685 4.471 0.482 1.00 0.00 C ATOM 1001 O ALA A 613 1.466 4.346 0.369 1.00 0.00 O ATOM 1002 CB ALA A 613 3.534 6.458 -0.770 1.00 0.00 C ATOM 0 H ALA A 613 5.405 6.030 0.777 1.00 0.00 H new ATOM 0 HA ALA A 613 2.651 6.490 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.580 6.504 -1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 613 3.941 7.464 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.231 5.842 -1.338 1.00 0.00 H new ATOM 1008 N ALA A 614 3.515 3.436 0.503 1.00 0.00 N ATOM 1009 CA ALA A 614 3.035 2.067 0.402 1.00 0.00 C ATOM 1010 C ALA A 614 2.332 1.638 1.678 1.00 0.00 C ATOM 1011 O ALA A 614 1.195 1.175 1.638 1.00 0.00 O ATOM 1012 CB ALA A 614 4.183 1.121 0.093 1.00 0.00 C ATOM 0 H ALA A 614 4.528 3.521 0.589 1.00 0.00 H new ATOM 0 HA ALA A 614 2.315 2.025 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.805 0.101 0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.644 1.405 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.925 1.177 0.889 1.00 0.00 H new ATOM 1018 N GLU A 615 3.003 1.804 2.813 1.00 0.00 N ATOM 1019 CA GLU A 615 2.429 1.398 4.090 1.00 0.00 C ATOM 1020 C GLU A 615 1.218 2.258 4.433 1.00 0.00 C ATOM 1021 O GLU A 615 0.215 1.753 4.938 1.00 0.00 O ATOM 1022 CB GLU A 615 3.464 1.465 5.219 1.00 0.00 C ATOM 1023 CG GLU A 615 4.086 2.835 5.420 1.00 0.00 C ATOM 1024 CD GLU A 615 4.915 2.911 6.681 1.00 0.00 C ATOM 1025 OE1 GLU A 615 4.325 2.935 7.782 1.00 0.00 O ATOM 1026 OE2 GLU A 615 6.160 2.953 6.585 1.00 0.00 O ATOM 0 H GLU A 615 3.936 2.213 2.875 1.00 0.00 H new ATOM 0 HA GLU A 615 2.108 0.361 3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 615 2.989 1.155 6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 615 4.257 0.746 5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.713 3.076 4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.298 3.587 5.461 1.00 0.00 H new ATOM 1033 N GLN A 616 1.317 3.552 4.145 1.00 0.00 N ATOM 1034 CA GLN A 616 0.210 4.475 4.362 1.00 0.00 C ATOM 1035 C GLN A 616 -1.007 4.064 3.546 1.00 0.00 C ATOM 1036 O GLN A 616 -2.115 3.992 4.074 1.00 0.00 O ATOM 1037 CB GLN A 616 0.619 5.904 4.005 1.00 0.00 C ATOM 1038 CG GLN A 616 1.553 6.536 5.018 1.00 0.00 C ATOM 1039 CD GLN A 616 0.894 6.709 6.371 1.00 0.00 C ATOM 1040 OE1 GLN A 616 0.931 5.812 7.213 1.00 0.00 O ATOM 1041 NE2 GLN A 616 0.291 7.863 6.596 1.00 0.00 N ATOM 0 H GLN A 616 2.156 3.986 3.759 1.00 0.00 H new ATOM 0 HA GLN A 616 -0.052 4.439 5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 616 1.103 5.902 3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 616 -0.277 6.518 3.916 1.00 0.00 H new ATOM 0 HG2 GLN A 616 2.443 5.916 5.126 1.00 0.00 H new ATOM 0 HG3 GLN A 616 1.883 7.507 4.649 1.00 0.00 H new ATOM 0 HE21 GLN A 616 0.281 8.583 5.873 1.00 0.00 H new ATOM 0 HE22 GLN A 616 -0.165 8.034 7.492 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.801 3.776 2.264 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.905 3.375 1.408 1.00 0.00 C ATOM 1052 C GLU A 617 -2.441 2.018 1.837 1.00 0.00 C ATOM 1053 O GLU A 617 -3.642 1.805 1.835 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.499 3.320 -0.064 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.667 2.991 -0.984 1.00 0.00 C ATOM 1056 CD GLU A 617 -3.599 4.170 -1.199 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -4.554 4.336 -0.413 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -3.382 4.929 -2.166 1.00 0.00 O ATOM 0 H GLU A 617 0.108 3.813 1.803 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.684 4.130 1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -1.072 4.280 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.718 2.571 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -2.281 2.658 -1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -3.232 2.160 -0.563 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.548 1.110 2.216 1.00 0.00 N ATOM 1066 CA LEU A 618 -1.949 -0.235 2.616 1.00 0.00 C ATOM 1067 C LEU A 618 -2.987 -0.186 3.731 1.00 0.00 C ATOM 1068 O LEU A 618 -4.066 -0.766 3.609 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.731 -1.050 3.063 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.027 -2.474 3.538 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.764 -3.253 2.467 1.00 0.00 C ATOM 1072 CD2 LEU A 618 0.257 -3.189 3.907 1.00 0.00 C ATOM 0 H LEU A 618 -0.543 1.280 2.255 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.398 -0.722 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.027 -1.102 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.233 -0.513 3.870 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.661 -2.411 4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -1.965 -4.263 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.706 -2.755 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.152 -3.302 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 618 0.027 -4.200 4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.911 -3.236 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.758 -2.646 4.708 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.677 0.534 4.799 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.571 0.602 5.944 1.00 0.00 C ATOM 1086 C GLU A 619 -4.826 1.417 5.630 1.00 0.00 C ATOM 1087 O GLU A 619 -5.916 1.046 6.042 1.00 0.00 O ATOM 1088 CB GLU A 619 -2.857 1.177 7.166 1.00 0.00 C ATOM 1089 CG GLU A 619 -2.230 2.539 6.930 1.00 0.00 C ATOM 1090 CD GLU A 619 -1.638 3.130 8.190 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -2.369 3.830 8.922 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -0.446 2.895 8.459 1.00 0.00 O ATOM 0 H GLU A 619 -1.818 1.076 4.896 1.00 0.00 H new ATOM 0 HA GLU A 619 -3.880 -0.418 6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.569 1.254 7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -2.080 0.480 7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.451 2.450 6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -2.984 3.219 6.533 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.681 2.520 4.896 1.00 0.00 N ATOM 1100 CA GLN A 620 -5.834 3.350 4.546 1.00 0.00 C ATOM 1101 C GLN A 620 -6.774 2.603 3.606 1.00 0.00 C ATOM 1102 O GLN A 620 -7.996 2.724 3.708 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.389 4.667 3.908 1.00 0.00 C ATOM 1104 CG GLN A 620 -4.694 5.611 4.876 1.00 0.00 C ATOM 1105 CD GLN A 620 -5.576 5.991 6.051 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -6.338 6.957 5.988 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -5.465 5.245 7.140 1.00 0.00 N ATOM 0 H GLN A 620 -3.788 2.857 4.536 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.370 3.577 5.467 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -4.715 4.450 3.079 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -6.260 5.169 3.487 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -3.783 5.140 5.247 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -4.393 6.514 4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -4.822 4.453 7.152 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -6.022 5.463 7.966 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.198 1.828 2.698 1.00 0.00 N ATOM 1117 CA ALA A 621 -6.971 0.996 1.795 1.00 0.00 C ATOM 1118 C ALA A 621 -7.603 -0.152 2.559 1.00 0.00 C ATOM 1119 O ALA A 621 -8.710 -0.574 2.251 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.099 0.472 0.666 1.00 0.00 C ATOM 0 H ALA A 621 -5.188 1.760 2.569 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.763 1.602 1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.699 -0.149 0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.687 1.311 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.285 -0.122 1.081 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.890 -0.647 3.563 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.421 -1.670 4.451 1.00 0.00 C ATOM 1128 C PHE A 622 -8.631 -1.132 5.215 1.00 0.00 C ATOM 1129 O PHE A 622 -9.667 -1.790 5.312 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.347 -2.123 5.435 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.884 -3.531 5.213 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.706 -4.600 5.530 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.626 -3.785 4.692 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -6.282 -5.899 5.330 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -4.195 -5.082 4.490 1.00 0.00 C ATOM 1136 CZ PHE A 622 -5.024 -6.142 4.808 1.00 0.00 C ATOM 0 H PHE A 622 -5.938 -0.354 3.782 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.733 -2.523 3.849 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.491 -1.452 5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.735 -2.033 6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.689 -4.416 5.938 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.975 -2.960 4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.932 -6.724 5.581 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -3.212 -5.268 4.084 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.690 -7.157 4.649 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.479 0.075 5.752 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.567 0.771 6.432 1.00 0.00 C ATOM 1148 C GLU A 623 -10.742 0.971 5.484 1.00 0.00 C ATOM 1149 O GLU A 623 -11.901 0.802 5.866 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.085 2.126 6.951 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.012 2.032 8.024 1.00 0.00 C ATOM 1152 CD GLU A 623 -8.519 1.413 9.306 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -8.459 0.178 9.443 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -8.983 2.165 10.188 1.00 0.00 O ATOM 0 H GLU A 623 -7.603 0.596 5.729 1.00 0.00 H new ATOM 0 HA GLU A 623 -9.893 0.162 7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -8.697 2.707 6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -9.938 2.674 7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -7.177 1.442 7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -7.627 3.030 8.235 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.431 1.349 4.246 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.442 1.478 3.206 1.00 0.00 C ATOM 1163 C ARG A 624 -12.144 0.146 3.010 1.00 0.00 C ATOM 1164 O ARG A 624 -13.367 0.072 2.998 1.00 0.00 O ATOM 1165 CB ARG A 624 -10.803 1.904 1.880 1.00 0.00 C ATOM 1166 CG ARG A 624 -11.811 2.245 0.794 1.00 0.00 C ATOM 1167 CD ARG A 624 -12.481 3.577 1.070 1.00 0.00 C ATOM 1168 NE ARG A 624 -11.504 4.667 1.115 1.00 0.00 N ATOM 1169 CZ ARG A 624 -11.432 5.571 2.095 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -12.290 5.535 3.108 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -10.495 6.514 2.060 1.00 0.00 N ATOM 0 H ARG A 624 -9.483 1.571 3.941 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.159 2.238 3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.166 2.771 2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.157 1.101 1.524 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.310 2.280 -0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.565 1.460 0.734 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.221 3.781 0.296 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.017 3.527 2.018 1.00 0.00 H new ATOM 0 HE ARG A 624 -10.835 4.740 0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -13.010 4.813 3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -12.229 6.229 3.853 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -9.832 6.546 1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -10.439 7.205 2.808 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.343 -0.902 2.883 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.839 -2.237 2.607 1.00 0.00 C ATOM 1187 C TRP A 625 -12.814 -2.709 3.679 1.00 0.00 C ATOM 1188 O TRP A 625 -13.928 -3.122 3.365 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.674 -3.222 2.487 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.130 -4.620 2.238 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.689 -5.105 1.094 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -11.088 -5.709 3.161 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -11.997 -6.435 1.248 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.637 -6.828 2.512 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.637 -5.846 4.476 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.752 -8.068 3.138 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.751 -7.073 5.094 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -11.303 -8.170 4.428 1.00 0.00 C ATOM 0 H TRP A 625 -10.328 -0.847 2.969 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.377 -2.199 1.660 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.019 -2.907 1.675 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.083 -3.194 3.403 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -11.864 -4.529 0.198 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.423 -7.032 0.539 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -10.206 -5.005 4.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -12.179 -8.917 2.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -10.407 -7.188 6.111 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -11.377 -9.118 4.941 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.407 -2.643 4.938 1.00 0.00 N ATOM 1210 CA GLU A 626 -13.260 -3.105 6.022 1.00 0.00 C ATOM 1211 C GLU A 626 -14.515 -2.244 6.126 1.00 0.00 C ATOM 1212 O GLU A 626 -15.590 -2.739 6.465 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.502 -3.111 7.345 1.00 0.00 C ATOM 1214 CG GLU A 626 -11.271 -4.006 7.334 1.00 0.00 C ATOM 1215 CD GLU A 626 -10.803 -4.355 8.726 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -10.086 -3.540 9.341 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -11.159 -5.447 9.217 1.00 0.00 O ATOM 0 H GLU A 626 -11.501 -2.278 5.232 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.564 -4.128 5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -12.199 -2.092 7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -13.174 -3.440 8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.496 -4.922 6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.465 -3.505 6.797 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.367 -0.958 5.830 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.507 -0.054 5.738 1.00 0.00 C ATOM 1226 C TYR A 627 -16.443 -0.507 4.626 1.00 0.00 C ATOM 1227 O TYR A 627 -17.654 -0.549 4.806 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.021 1.384 5.494 1.00 0.00 C ATOM 1229 CG TYR A 627 -15.968 2.267 4.699 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.238 2.596 5.167 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -15.570 2.791 3.473 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.076 3.414 4.432 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -16.404 3.605 2.737 1.00 0.00 C ATOM 1234 CZ TYR A 627 -17.654 3.916 3.220 1.00 0.00 C ATOM 1235 OH TYR A 627 -18.482 4.733 2.486 1.00 0.00 O ATOM 0 H TYR A 627 -13.465 -0.517 5.649 1.00 0.00 H new ATOM 0 HA TYR A 627 -16.057 -0.074 6.679 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -14.836 1.855 6.459 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.065 1.343 4.971 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -17.573 2.207 6.117 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -14.588 2.555 3.090 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.059 3.659 4.807 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -16.078 3.997 1.785 1.00 0.00 H new ATOM 0 HH TYR A 627 -18.029 4.999 1.659 1.00 0.00 H new ATOM 1245 N LEU A 628 -15.868 -0.869 3.489 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.650 -1.310 2.349 1.00 0.00 C ATOM 1247 C LEU A 628 -17.338 -2.637 2.647 1.00 0.00 C ATOM 1248 O LEU A 628 -18.504 -2.817 2.312 1.00 0.00 O ATOM 1249 CB LEU A 628 -15.772 -1.416 1.099 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.141 -0.095 0.650 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.287 -0.295 -0.588 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.213 0.952 0.399 1.00 0.00 C ATOM 0 H LEU A 628 -14.860 -0.865 3.333 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.423 -0.566 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -14.977 -2.137 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.373 -1.813 0.281 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.494 0.261 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -13.850 0.658 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.491 -1.007 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -14.906 -0.680 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -15.745 1.883 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -16.889 0.601 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -16.776 1.124 1.317 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.613 -3.560 3.277 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.196 -4.830 3.711 1.00 0.00 C ATOM 1266 C GLU A 629 -18.377 -4.583 4.645 1.00 0.00 C ATOM 1267 O GLU A 629 -19.454 -5.153 4.467 1.00 0.00 O ATOM 1268 CB GLU A 629 -16.148 -5.693 4.420 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.345 -6.585 3.487 1.00 0.00 C ATOM 1270 CD GLU A 629 -16.200 -7.656 2.840 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -16.716 -8.529 3.569 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -16.379 -7.619 1.604 1.00 0.00 O ATOM 0 H GLU A 629 -15.623 -3.453 3.498 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.547 -5.360 2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.462 -5.041 4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.648 -6.317 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -14.883 -5.974 2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.536 -7.057 4.045 1.00 0.00 H new ATOM 1279 N ALA A 630 -18.165 -3.714 5.626 1.00 0.00 N ATOM 1280 CA ALA A 630 -19.204 -3.358 6.584 1.00 0.00 C ATOM 1281 C ALA A 630 -20.378 -2.681 5.886 1.00 0.00 C ATOM 1282 O ALA A 630 -21.540 -3.021 6.114 1.00 0.00 O ATOM 1283 CB ALA A 630 -18.633 -2.444 7.658 1.00 0.00 C ATOM 0 H ALA A 630 -17.275 -3.240 5.779 1.00 0.00 H new ATOM 0 HA ALA A 630 -19.568 -4.273 7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.417 -2.184 8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.825 -2.957 8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.247 -1.536 7.195 1.00 0.00 H new ATOM 1289 N LEU A 631 -20.051 -1.731 5.020 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.045 -0.970 4.278 1.00 0.00 C ATOM 1291 C LEU A 631 -21.832 -1.874 3.341 1.00 0.00 C ATOM 1292 O LEU A 631 -23.003 -1.639 3.062 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.359 0.119 3.458 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.282 1.230 2.975 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -21.593 2.181 4.117 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -20.658 1.972 1.815 1.00 0.00 C ATOM 0 H LEU A 631 -19.088 -1.467 4.813 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.731 -0.520 4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.565 0.561 4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -19.884 -0.342 2.592 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.215 0.786 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.254 2.972 3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.082 1.634 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -20.667 2.621 4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -21.332 2.762 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -19.712 2.411 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -20.480 1.279 0.993 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.169 -2.901 2.844 1.00 0.00 N ATOM 1309 CA LYS A 632 -21.788 -3.830 1.921 1.00 0.00 C ATOM 1310 C LYS A 632 -22.731 -4.770 2.663 1.00 0.00 C ATOM 1311 O LYS A 632 -23.728 -5.231 2.112 1.00 0.00 O ATOM 1312 CB LYS A 632 -20.714 -4.641 1.205 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.241 -5.520 0.088 1.00 0.00 C ATOM 1314 CD LYS A 632 -20.771 -6.957 0.257 1.00 0.00 C ATOM 1315 CE LYS A 632 -19.260 -7.032 0.401 1.00 0.00 C ATOM 1316 NZ LYS A 632 -18.797 -8.386 0.795 1.00 0.00 N ATOM 0 H LYS A 632 -20.196 -3.113 3.066 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.362 -3.262 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -19.971 -3.957 0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.201 -5.268 1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -22.331 -5.489 0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -20.903 -5.134 -0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -21.244 -7.395 1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -21.086 -7.548 -0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -18.793 -6.752 -0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -18.932 -6.307 1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -17.759 -8.392 0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -19.207 -8.638 1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -19.100 -9.078 0.080 1.00 0.00 H new