USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 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 21 GLN : amide:sc=-0.00292 K(o=-0.0029,f=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0658 X(o=-0.066,f=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.043 F(o=-0.93,f=-0.043) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -84:sc= 0.894 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.00033) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -4.89! C(o=-4.9!,f=-5.1!) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0.422 (180deg=0.402) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.289 X(o=0.29,f=-0.031) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 155:sc= -0.26 (180deg=-0.98) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 149:sc= 0.664 (180deg=0.407) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 142:sc= -3.28 (180deg=-6.8!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0914 X(o=-0.091,f=0) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.536 8.225 2.165 1.00 0.00 N ATOM 243 CA GLN A 21 6.687 7.052 2.335 1.00 0.00 C ATOM 244 C GLN A 21 6.431 6.367 0.997 1.00 0.00 C ATOM 245 O GLN A 21 6.767 5.197 0.814 1.00 0.00 O ATOM 246 CB GLN A 21 5.358 7.447 2.982 1.00 0.00 C ATOM 247 CG GLN A 21 5.488 7.845 4.444 1.00 0.00 C ATOM 248 CD GLN A 21 4.311 8.666 4.932 1.00 0.00 C ATOM 249 OE1 GLN A 21 3.301 8.798 4.239 1.00 0.00 O ATOM 250 NE2 GLN A 21 4.434 9.223 6.131 1.00 0.00 N ATOM 0 HA GLN A 21 7.206 6.351 2.988 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.925 8.278 2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.662 6.612 2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.577 6.947 5.055 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.406 8.416 4.581 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.289 9.087 6.671 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.674 9.786 6.512 1.00 0.00 H new ATOM 259 N GLU A 22 5.832 7.103 0.066 1.00 0.00 N ATOM 260 CA GLU A 22 5.530 6.564 -1.255 1.00 0.00 C ATOM 261 C GLU A 22 6.776 5.959 -1.894 1.00 0.00 C ATOM 262 O GLU A 22 6.687 5.195 -2.856 1.00 0.00 O ATOM 263 CB GLU A 22 4.961 7.660 -2.159 1.00 0.00 C ATOM 264 CG GLU A 22 4.218 7.124 -3.372 1.00 0.00 C ATOM 265 CD GLU A 22 3.707 8.227 -4.277 1.00 0.00 C ATOM 266 OE1 GLU A 22 4.436 9.222 -4.469 1.00 0.00 O ATOM 267 OE2 GLU A 22 2.577 8.096 -4.793 1.00 0.00 O ATOM 0 H GLU A 22 5.547 8.073 0.202 1.00 0.00 H new ATOM 0 HA GLU A 22 4.785 5.777 -1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.285 8.285 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.776 8.300 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.881 6.471 -3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.378 6.514 -3.039 1.00 0.00 H new ATOM 274 N LYS A 23 7.939 6.306 -1.353 1.00 0.00 N ATOM 275 CA LYS A 23 9.205 5.798 -1.868 1.00 0.00 C ATOM 276 C LYS A 23 9.582 4.485 -1.188 1.00 0.00 C ATOM 277 O LYS A 23 9.757 3.460 -1.848 1.00 0.00 O ATOM 278 CB LYS A 23 10.316 6.830 -1.659 1.00 0.00 C ATOM 279 CG LYS A 23 10.474 7.797 -2.819 1.00 0.00 C ATOM 280 CD LYS A 23 11.351 8.980 -2.443 1.00 0.00 C ATOM 281 CE LYS A 23 12.822 8.685 -2.693 1.00 0.00 C ATOM 282 NZ LYS A 23 13.681 9.867 -2.403 1.00 0.00 N ATOM 0 H LYS A 23 8.031 6.938 -0.557 1.00 0.00 H new ATOM 0 HA LYS A 23 9.086 5.613 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.108 7.396 -0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.260 6.308 -1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.910 7.276 -3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.493 8.155 -3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.051 9.855 -3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.202 9.225 -1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.135 7.847 -2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.960 8.381 -3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.676 9.626 -2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.399 10.660 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.568 10.142 -1.406 1.00 0.00 H new ATOM 296 N LEU A 24 9.703 4.523 0.134 1.00 0.00 N ATOM 297 CA LEU A 24 10.057 3.335 0.904 1.00 0.00 C ATOM 298 C LEU A 24 9.160 2.159 0.533 1.00 0.00 C ATOM 299 O LEU A 24 9.564 1.000 0.637 1.00 0.00 O ATOM 300 CB LEU A 24 9.946 3.623 2.402 1.00 0.00 C ATOM 301 CG LEU A 24 10.029 2.408 3.327 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.386 1.733 3.202 1.00 0.00 C ATOM 303 CD2 LEU A 24 9.765 2.817 4.769 1.00 0.00 C ATOM 0 H LEU A 24 9.561 5.363 0.695 1.00 0.00 H new ATOM 0 HA LEU A 24 11.088 3.071 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.738 4.319 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.999 4.130 2.585 1.00 0.00 H new ATOM 0 HG LEU A 24 9.262 1.694 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.426 0.871 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.536 1.405 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.170 2.439 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.828 1.940 5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.508 3.551 5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.769 3.254 4.847 1.00 0.00 H new ATOM 315 N VAL A 25 7.942 2.464 0.098 1.00 0.00 N ATOM 316 CA VAL A 25 6.988 1.432 -0.292 1.00 0.00 C ATOM 317 C VAL A 25 7.286 0.910 -1.693 1.00 0.00 C ATOM 318 O VAL A 25 7.297 -0.299 -1.927 1.00 0.00 O ATOM 319 CB VAL A 25 5.542 1.959 -0.248 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.570 0.892 -0.728 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.186 2.423 1.156 1.00 0.00 C ATOM 0 H VAL A 25 7.592 3.418 0.007 1.00 0.00 H new ATOM 0 HA VAL A 25 7.091 0.618 0.425 1.00 0.00 H new ATOM 0 HB VAL A 25 5.465 2.815 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.553 1.283 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.813 0.613 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.646 0.015 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.161 2.792 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.279 1.588 1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.863 3.222 1.458 1.00 0.00 H new ATOM 331 N TYR A 26 7.527 1.829 -2.621 1.00 0.00 N ATOM 332 CA TYR A 26 7.823 1.462 -4.001 1.00 0.00 C ATOM 333 C TYR A 26 9.043 0.549 -4.072 1.00 0.00 C ATOM 334 O TYR A 26 9.080 -0.395 -4.861 1.00 0.00 O ATOM 335 CB TYR A 26 8.060 2.715 -4.845 1.00 0.00 C ATOM 336 CG TYR A 26 8.548 2.419 -6.245 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.723 1.794 -7.172 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.833 2.767 -6.641 1.00 0.00 C ATOM 339 CE1 TYR A 26 8.165 1.521 -8.452 1.00 0.00 C ATOM 340 CE2 TYR A 26 10.284 2.499 -7.920 1.00 0.00 C ATOM 341 CZ TYR A 26 9.446 1.876 -8.821 1.00 0.00 C ATOM 342 OH TYR A 26 9.890 1.607 -10.096 1.00 0.00 O ATOM 0 H TYR A 26 7.523 2.833 -2.443 1.00 0.00 H new ATOM 0 HA TYR A 26 6.964 0.922 -4.399 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.132 3.283 -4.905 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.790 3.349 -4.342 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.719 1.517 -6.887 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.491 3.255 -5.938 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.512 1.033 -9.160 1.00 0.00 H new ATOM 0 HE2 TYR A 26 11.286 2.776 -8.212 1.00 0.00 H new ATOM 0 HH TYR A 26 10.813 1.921 -10.194 1.00 0.00 H new ATOM 352 N GLN A 27 10.040 0.839 -3.241 1.00 0.00 N ATOM 353 CA GLN A 27 11.262 0.045 -3.209 1.00 0.00 C ATOM 354 C GLN A 27 10.986 -1.358 -2.679 1.00 0.00 C ATOM 355 O GLN A 27 11.597 -2.331 -3.123 1.00 0.00 O ATOM 356 CB GLN A 27 12.319 0.732 -2.343 1.00 0.00 C ATOM 357 CG GLN A 27 12.854 2.022 -2.943 1.00 0.00 C ATOM 358 CD GLN A 27 14.040 1.792 -3.858 1.00 0.00 C ATOM 359 OE1 GLN A 27 15.191 1.975 -3.460 1.00 0.00 O ATOM 360 NE2 GLN A 27 13.766 1.387 -5.093 1.00 0.00 N ATOM 0 H GLN A 27 10.025 1.617 -2.582 1.00 0.00 H new ATOM 0 HA GLN A 27 11.637 -0.039 -4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.891 0.947 -1.364 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.149 0.044 -2.184 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.059 2.515 -3.502 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.146 2.698 -2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.797 1.248 -5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.524 1.215 -5.753 1.00 0.00 H new ATOM 369 N ILE A 28 10.064 -1.455 -1.727 1.00 0.00 N ATOM 370 CA ILE A 28 9.708 -2.740 -1.138 1.00 0.00 C ATOM 371 C ILE A 28 8.993 -3.629 -2.149 1.00 0.00 C ATOM 372 O ILE A 28 9.184 -4.846 -2.165 1.00 0.00 O ATOM 373 CB ILE A 28 8.807 -2.561 0.099 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.572 -1.844 1.214 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.297 -3.910 0.582 1.00 0.00 C ATOM 376 CD1 ILE A 28 8.674 -1.116 2.190 1.00 0.00 C ATOM 0 H ILE A 28 9.550 -0.660 -1.347 1.00 0.00 H new ATOM 0 HA ILE A 28 10.640 -3.217 -0.834 1.00 0.00 H new ATOM 0 HB ILE A 28 7.949 -1.949 -0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.172 -2.573 1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.265 -1.130 0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.662 -3.767 1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.721 -4.386 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.142 -4.545 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.283 -0.631 2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.092 -0.363 1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.999 -1.828 2.664 1.00 0.00 H new ATOM 388 N ILE A 29 8.170 -3.014 -2.992 1.00 0.00 N ATOM 389 CA ILE A 29 7.428 -3.750 -4.008 1.00 0.00 C ATOM 390 C ILE A 29 8.369 -4.357 -5.043 1.00 0.00 C ATOM 391 O ILE A 29 8.351 -5.565 -5.279 1.00 0.00 O ATOM 392 CB ILE A 29 6.408 -2.847 -4.726 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.422 -2.254 -3.718 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.669 -3.631 -5.800 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.705 -1.022 -4.226 1.00 0.00 C ATOM 0 H ILE A 29 8.000 -2.008 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 29 6.894 -4.548 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 29 6.944 -2.029 -5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.684 -3.012 -3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.958 -2.001 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.952 -2.979 -6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.384 -4.010 -6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.141 -4.467 -5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.022 -0.656 -3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.435 -0.247 -4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.141 -1.274 -5.124 1.00 0.00 H new ATOM 407 N GLU A 30 9.191 -3.511 -5.656 1.00 0.00 N ATOM 408 CA GLU A 30 10.141 -3.966 -6.665 1.00 0.00 C ATOM 409 C GLU A 30 11.054 -5.051 -6.104 1.00 0.00 C ATOM 410 O GLU A 30 11.599 -5.866 -6.849 1.00 0.00 O ATOM 411 CB GLU A 30 10.979 -2.791 -7.174 1.00 0.00 C ATOM 412 CG GLU A 30 11.966 -2.259 -6.149 1.00 0.00 C ATOM 413 CD GLU A 30 13.004 -1.338 -6.762 1.00 0.00 C ATOM 414 OE1 GLU A 30 12.614 -0.291 -7.318 1.00 0.00 O ATOM 415 OE2 GLU A 30 14.207 -1.666 -6.684 1.00 0.00 O ATOM 0 H GLU A 30 9.218 -2.508 -5.472 1.00 0.00 H new ATOM 0 HA GLU A 30 9.575 -4.387 -7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.525 -3.104 -8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.312 -1.984 -7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.423 -1.722 -5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.469 -3.097 -5.666 1.00 0.00 H new ATOM 422 N ASP A 31 11.217 -5.055 -4.785 1.00 0.00 N ATOM 423 CA ASP A 31 12.063 -6.040 -4.122 1.00 0.00 C ATOM 424 C ASP A 31 11.459 -7.436 -4.229 1.00 0.00 C ATOM 425 O ASP A 31 12.163 -8.410 -4.496 1.00 0.00 O ATOM 426 CB ASP A 31 12.261 -5.667 -2.652 1.00 0.00 C ATOM 427 CG ASP A 31 13.593 -6.145 -2.107 1.00 0.00 C ATOM 428 OD1 ASP A 31 14.594 -6.081 -2.850 1.00 0.00 O ATOM 429 OD2 ASP A 31 13.633 -6.585 -0.939 1.00 0.00 O ATOM 0 H ASP A 31 10.774 -4.387 -4.154 1.00 0.00 H new ATOM 0 HA ASP A 31 13.032 -6.045 -4.621 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.195 -4.585 -2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.454 -6.097 -2.059 1.00 0.00 H new ATOM 434 N ALA A 32 10.150 -7.526 -4.017 1.00 0.00 N ATOM 435 CA ALA A 32 9.450 -8.803 -4.090 1.00 0.00 C ATOM 436 C ALA A 32 9.718 -9.500 -5.420 1.00 0.00 C ATOM 437 O ALA A 32 9.670 -10.726 -5.510 1.00 0.00 O ATOM 438 CB ALA A 32 7.956 -8.598 -3.891 1.00 0.00 C ATOM 0 H ALA A 32 9.553 -6.730 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 32 9.827 -9.442 -3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.446 -9.560 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.777 -8.150 -2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.573 -7.937 -4.669 1.00 0.00 H new ATOM 444 N GLY A 33 9.999 -8.710 -6.452 1.00 0.00 N ATOM 445 CA GLY A 33 10.269 -9.270 -7.763 1.00 0.00 C ATOM 446 C GLY A 33 9.004 -9.503 -8.565 1.00 0.00 C ATOM 447 O GLY A 33 7.998 -8.825 -8.362 1.00 0.00 O ATOM 0 H GLY A 33 10.044 -7.692 -6.403 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.926 -8.597 -8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.802 -10.214 -7.649 1.00 0.00 H new ATOM 451 N ASN A 34 9.056 -10.465 -9.481 1.00 0.00 N ATOM 452 CA ASN A 34 7.906 -10.785 -10.319 1.00 0.00 C ATOM 453 C ASN A 34 6.759 -11.342 -9.480 1.00 0.00 C ATOM 454 O ASN A 34 5.604 -10.951 -9.650 1.00 0.00 O ATOM 455 CB ASN A 34 8.300 -11.795 -11.399 1.00 0.00 C ATOM 456 CG ASN A 34 9.687 -11.535 -11.954 1.00 0.00 C ATOM 457 OD1 ASN A 34 10.695 -12.138 -11.334 1.00 0.00 O flip ATOM 458 ND2 ASN A 34 9.850 -10.801 -12.929 1.00 0.00 N flip ATOM 0 H ASN A 34 9.882 -11.036 -9.662 1.00 0.00 H new ATOM 0 HA ASN A 34 7.570 -9.865 -10.797 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.261 -12.802 -10.983 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.574 -11.757 -12.211 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.046 -10.358 -13.374 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.789 -10.636 -13.292 1.00 0.00 H new ATOM 465 N LYS A 35 7.087 -12.256 -8.574 1.00 0.00 N ATOM 466 CA LYS A 35 6.087 -12.867 -7.706 1.00 0.00 C ATOM 467 C LYS A 35 5.160 -11.809 -7.116 1.00 0.00 C ATOM 468 O LYS A 35 3.956 -12.029 -6.983 1.00 0.00 O ATOM 469 CB LYS A 35 6.768 -13.648 -6.580 1.00 0.00 C ATOM 470 CG LYS A 35 7.222 -15.038 -6.992 1.00 0.00 C ATOM 471 CD LYS A 35 7.253 -15.989 -5.807 1.00 0.00 C ATOM 472 CE LYS A 35 8.477 -15.753 -4.936 1.00 0.00 C ATOM 473 NZ LYS A 35 9.639 -16.571 -5.379 1.00 0.00 N ATOM 0 H LYS A 35 8.038 -12.591 -8.421 1.00 0.00 H new ATOM 0 HA LYS A 35 5.491 -13.553 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.631 -13.083 -6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.078 -13.734 -5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.551 -15.429 -7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.214 -14.980 -7.439 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.350 -15.859 -5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.253 -17.019 -6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.745 -14.697 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.237 -15.993 -3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.453 -16.382 -4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.393 -17.580 -5.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.884 -16.324 -6.359 1.00 0.00 H new ATOM 487 N GLY A 36 5.728 -10.659 -6.766 1.00 0.00 N ATOM 488 CA GLY A 36 4.937 -9.584 -6.196 1.00 0.00 C ATOM 489 C GLY A 36 4.984 -9.570 -4.681 1.00 0.00 C ATOM 490 O GLY A 36 5.815 -10.244 -4.073 1.00 0.00 O ATOM 0 H GLY A 36 6.722 -10.453 -6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.300 -8.629 -6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.902 -9.685 -6.523 1.00 0.00 H new ATOM 494 N ILE A 37 4.091 -8.798 -4.070 1.00 0.00 N ATOM 495 CA ILE A 37 4.034 -8.699 -2.617 1.00 0.00 C ATOM 496 C ILE A 37 2.602 -8.493 -2.135 1.00 0.00 C ATOM 497 O ILE A 37 1.743 -8.035 -2.888 1.00 0.00 O ATOM 498 CB ILE A 37 4.910 -7.543 -2.097 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.032 -7.612 -0.574 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.330 -6.204 -2.528 1.00 0.00 C ATOM 501 CD1 ILE A 37 5.960 -6.568 0.006 1.00 0.00 C ATOM 0 H ILE A 37 3.397 -8.232 -4.559 1.00 0.00 H new ATOM 0 HA ILE A 37 4.416 -9.640 -2.222 1.00 0.00 H new ATOM 0 HB ILE A 37 5.907 -7.640 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.043 -7.492 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.390 -8.602 -0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.960 -5.397 -2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.291 -6.158 -3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.323 -6.096 -2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.998 -6.677 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.960 -6.700 -0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.592 -5.574 -0.246 1.00 0.00 H new ATOM 513 N TRP A 38 2.354 -8.833 -0.876 1.00 0.00 N ATOM 514 CA TRP A 38 1.025 -8.684 -0.292 1.00 0.00 C ATOM 515 C TRP A 38 0.918 -7.380 0.491 1.00 0.00 C ATOM 516 O TRP A 38 1.786 -7.060 1.303 1.00 0.00 O ATOM 517 CB TRP A 38 0.711 -9.870 0.622 1.00 0.00 C ATOM 518 CG TRP A 38 -0.702 -9.876 1.122 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.806 -9.415 0.464 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.161 -10.365 2.387 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.924 -9.588 1.244 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.555 -10.170 2.428 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.530 -10.951 3.488 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.326 -10.539 3.527 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.296 -11.316 4.578 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.682 -11.110 4.591 1.00 0.00 C ATOM 0 H TRP A 38 3.054 -9.214 -0.240 1.00 0.00 H new ATOM 0 HA TRP A 38 0.299 -8.659 -1.104 1.00 0.00 H new ATOM 0 HB2 TRP A 38 0.901 -10.797 0.081 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.390 -9.853 1.474 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.801 -8.979 -0.524 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.875 -9.326 0.984 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.537 -11.115 3.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.394 -10.380 3.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.819 -11.768 5.435 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.253 -11.408 5.458 1.00 0.00 H new ATOM 537 N SER A 39 -0.152 -6.632 0.243 1.00 0.00 N ATOM 538 CA SER A 39 -0.370 -5.361 0.923 1.00 0.00 C ATOM 539 C SER A 39 0.130 -5.422 2.363 1.00 0.00 C ATOM 540 O SER A 39 0.878 -4.552 2.809 1.00 0.00 O ATOM 541 CB SER A 39 -1.856 -4.995 0.902 1.00 0.00 C ATOM 542 OG SER A 39 -2.167 -4.066 1.926 1.00 0.00 O ATOM 0 H SER A 39 -0.881 -6.884 -0.424 1.00 0.00 H new ATOM 0 HA SER A 39 0.194 -4.593 0.393 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.116 -4.572 -0.068 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.457 -5.895 1.029 1.00 0.00 H new ATOM 0 HG SER A 39 -3.122 -3.847 1.890 1.00 0.00 H new ATOM 548 N ARG A 40 -0.288 -6.457 3.084 1.00 0.00 N ATOM 549 CA ARG A 40 0.116 -6.632 4.474 1.00 0.00 C ATOM 550 C ARG A 40 1.636 -6.604 4.606 1.00 0.00 C ATOM 551 O ARG A 40 2.184 -5.876 5.434 1.00 0.00 O ATOM 552 CB ARG A 40 -0.430 -7.951 5.024 1.00 0.00 C ATOM 553 CG ARG A 40 -0.719 -7.916 6.516 1.00 0.00 C ATOM 554 CD ARG A 40 -1.811 -8.904 6.895 1.00 0.00 C ATOM 555 NE ARG A 40 -3.119 -8.497 6.387 1.00 0.00 N ATOM 556 CZ ARG A 40 -4.267 -8.993 6.832 1.00 0.00 C ATOM 557 NH1 ARG A 40 -4.270 -9.911 7.789 1.00 0.00 N ATOM 558 NH2 ARG A 40 -5.417 -8.572 6.320 1.00 0.00 N ATOM 0 H ARG A 40 -0.906 -7.187 2.729 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.297 -5.806 5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.346 -8.206 4.491 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.288 -8.745 4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.191 -8.148 7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.021 -6.910 6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.560 -9.889 6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.856 -8.995 7.980 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.152 -7.793 5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.389 -10.238 8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.154 -10.290 8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.419 -7.866 5.583 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.298 -8.954 6.663 1.00 0.00 H new ATOM 572 N ASP A 41 2.310 -7.402 3.786 1.00 0.00 N ATOM 573 CA ASP A 41 3.767 -7.469 3.810 1.00 0.00 C ATOM 574 C ASP A 41 4.376 -6.072 3.758 1.00 0.00 C ATOM 575 O ASP A 41 5.216 -5.718 4.586 1.00 0.00 O ATOM 576 CB ASP A 41 4.280 -8.306 2.637 1.00 0.00 C ATOM 577 CG ASP A 41 4.335 -9.786 2.963 1.00 0.00 C ATOM 578 OD1 ASP A 41 4.759 -10.131 4.085 1.00 0.00 O ATOM 579 OD2 ASP A 41 3.955 -10.599 2.094 1.00 0.00 O ATOM 0 H ASP A 41 1.871 -8.012 3.096 1.00 0.00 H new ATOM 0 HA ASP A 41 4.069 -7.943 4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.633 -8.151 1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.275 -7.961 2.356 1.00 0.00 H new ATOM 584 N VAL A 42 3.948 -5.281 2.780 1.00 0.00 N ATOM 585 CA VAL A 42 4.451 -3.922 2.620 1.00 0.00 C ATOM 586 C VAL A 42 4.318 -3.130 3.916 1.00 0.00 C ATOM 587 O VAL A 42 5.170 -2.304 4.241 1.00 0.00 O ATOM 588 CB VAL A 42 3.705 -3.176 1.497 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.123 -1.714 1.458 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.956 -3.846 0.155 1.00 0.00 C ATOM 0 H VAL A 42 3.254 -5.558 2.086 1.00 0.00 H new ATOM 0 HA VAL A 42 5.505 -4.004 2.354 1.00 0.00 H new ATOM 0 HB VAL A 42 2.636 -3.218 1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.586 -1.203 0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.888 -1.243 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.195 -1.647 1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.422 -3.306 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.024 -3.836 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.602 -4.876 0.191 1.00 0.00 H new ATOM 600 N ARG A 43 3.242 -3.389 4.653 1.00 0.00 N ATOM 601 CA ARG A 43 2.997 -2.700 5.914 1.00 0.00 C ATOM 602 C ARG A 43 4.257 -2.676 6.775 1.00 0.00 C ATOM 603 O ARG A 43 4.837 -1.617 7.015 1.00 0.00 O ATOM 604 CB ARG A 43 1.858 -3.379 6.677 1.00 0.00 C ATOM 605 CG ARG A 43 1.009 -2.414 7.488 1.00 0.00 C ATOM 606 CD ARG A 43 -0.338 -3.023 7.848 1.00 0.00 C ATOM 607 NE ARG A 43 -0.259 -3.857 9.044 1.00 0.00 N ATOM 608 CZ ARG A 43 -1.324 -4.335 9.678 1.00 0.00 C ATOM 609 NH1 ARG A 43 -2.543 -4.063 9.232 1.00 0.00 N ATOM 610 NH2 ARG A 43 -1.172 -5.087 10.760 1.00 0.00 N ATOM 0 H ARG A 43 2.527 -4.070 4.398 1.00 0.00 H new ATOM 0 HA ARG A 43 2.713 -1.672 5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.219 -3.904 5.967 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.277 -4.131 7.345 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.540 -2.138 8.399 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.855 -1.497 6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.065 -2.227 8.009 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.700 -3.621 7.012 1.00 0.00 H new ATOM 0 HE ARG A 43 0.664 -4.085 9.413 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.665 -3.485 8.400 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.359 -4.431 9.721 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.236 -5.299 11.106 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.991 -5.453 11.246 1.00 0.00 H new ATOM 624 N TYR A 44 4.673 -3.850 7.237 1.00 0.00 N ATOM 625 CA TYR A 44 5.862 -3.964 8.073 1.00 0.00 C ATOM 626 C TYR A 44 7.100 -3.472 7.330 1.00 0.00 C ATOM 627 O TYR A 44 7.833 -2.613 7.821 1.00 0.00 O ATOM 628 CB TYR A 44 6.063 -5.414 8.516 1.00 0.00 C ATOM 629 CG TYR A 44 4.776 -6.119 8.882 1.00 0.00 C ATOM 630 CD1 TYR A 44 3.987 -6.718 7.908 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.349 -6.186 10.203 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.811 -7.363 8.238 1.00 0.00 C ATOM 633 CE2 TYR A 44 3.175 -6.830 10.542 1.00 0.00 C ATOM 634 CZ TYR A 44 2.409 -7.416 9.556 1.00 0.00 C ATOM 635 OH TYR A 44 1.238 -8.058 9.889 1.00 0.00 O ATOM 0 H TYR A 44 4.205 -4.736 7.047 1.00 0.00 H new ATOM 0 HA TYR A 44 5.716 -3.339 8.954 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.554 -5.965 7.714 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.735 -5.433 9.374 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.299 -6.679 6.875 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.945 -5.727 10.978 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.210 -7.823 7.468 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.859 -6.874 11.574 1.00 0.00 H new ATOM 0 HH TYR A 44 1.100 -8.006 10.858 1.00 0.00 H new ATOM 645 N LYS A 45 7.327 -4.022 6.142 1.00 0.00 N ATOM 646 CA LYS A 45 8.474 -3.639 5.327 1.00 0.00 C ATOM 647 C LYS A 45 8.650 -2.124 5.313 1.00 0.00 C ATOM 648 O LYS A 45 9.767 -1.618 5.422 1.00 0.00 O ATOM 649 CB LYS A 45 8.306 -4.157 3.897 1.00 0.00 C ATOM 650 CG LYS A 45 8.312 -5.672 3.795 1.00 0.00 C ATOM 651 CD LYS A 45 9.392 -6.286 4.670 1.00 0.00 C ATOM 652 CE LYS A 45 9.601 -7.758 4.347 1.00 0.00 C ATOM 653 NZ LYS A 45 8.541 -8.614 4.948 1.00 0.00 N ATOM 0 H LYS A 45 6.731 -4.735 5.722 1.00 0.00 H new ATOM 0 HA LYS A 45 9.365 -4.087 5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.369 -3.777 3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.108 -3.756 3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.338 -6.061 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.471 -5.967 2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.328 -5.745 4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.117 -6.178 5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.609 -7.895 3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.576 -8.076 4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.719 -9.609 4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.550 -8.503 5.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.612 -8.328 4.577 1.00 0.00 H new ATOM 667 N SER A 46 7.540 -1.405 5.180 1.00 0.00 N ATOM 668 CA SER A 46 7.573 0.053 5.149 1.00 0.00 C ATOM 669 C SER A 46 7.339 0.631 6.542 1.00 0.00 C ATOM 670 O SER A 46 7.470 1.835 6.756 1.00 0.00 O ATOM 671 CB SER A 46 6.518 0.587 4.179 1.00 0.00 C ATOM 672 OG SER A 46 5.224 0.124 4.526 1.00 0.00 O ATOM 0 H SER A 46 6.607 -1.808 5.092 1.00 0.00 H new ATOM 0 HA SER A 46 8.561 0.363 4.807 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.532 1.677 4.186 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.760 0.272 3.164 1.00 0.00 H new ATOM 0 HG SER A 46 5.081 -0.766 4.142 1.00 0.00 H new ATOM 678 N ASN A 47 6.992 -0.238 7.485 1.00 0.00 N ATOM 679 CA ASN A 47 6.739 0.185 8.858 1.00 0.00 C ATOM 680 C ASN A 47 5.650 1.252 8.906 1.00 0.00 C ATOM 681 O ASN A 47 5.614 2.077 9.821 1.00 0.00 O ATOM 682 CB ASN A 47 8.023 0.721 9.493 1.00 0.00 C ATOM 683 CG ASN A 47 8.851 -0.375 10.136 1.00 0.00 C ATOM 684 OD1 ASN A 47 8.452 -0.962 11.142 1.00 0.00 O ATOM 685 ND2 ASN A 47 10.013 -0.656 9.556 1.00 0.00 N ATOM 0 H ASN A 47 6.879 -1.239 7.324 1.00 0.00 H new ATOM 0 HA ASN A 47 6.398 -0.683 9.423 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.619 1.224 8.732 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.769 1.469 10.244 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.614 -1.384 9.944 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.304 -0.144 8.723 1.00 0.00 H new ATOM 692 N LEU A 48 4.764 1.231 7.916 1.00 0.00 N ATOM 693 CA LEU A 48 3.673 2.197 7.846 1.00 0.00 C ATOM 694 C LEU A 48 2.333 1.527 8.133 1.00 0.00 C ATOM 695 O LEU A 48 2.160 0.323 7.943 1.00 0.00 O ATOM 696 CB LEU A 48 3.640 2.859 6.467 1.00 0.00 C ATOM 697 CG LEU A 48 4.773 3.841 6.166 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.825 4.157 4.679 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.603 5.116 6.979 1.00 0.00 C ATOM 0 H LEU A 48 4.780 0.556 7.151 1.00 0.00 H new ATOM 0 HA LEU A 48 3.847 2.960 8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.655 2.075 5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.692 3.386 6.362 1.00 0.00 H new ATOM 0 HG LEU A 48 5.717 3.376 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.637 4.857 4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.995 3.238 4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.880 4.602 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.418 5.803 6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.652 5.585 6.726 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.617 4.874 8.042 1.00 0.00 H new ATOM 711 N PRO A 49 1.361 2.324 8.600 1.00 0.00 N ATOM 712 CA PRO A 49 0.018 1.830 8.920 1.00 0.00 C ATOM 713 C PRO A 49 -0.768 1.437 7.674 1.00 0.00 C ATOM 714 O PRO A 49 -0.515 1.947 6.582 1.00 0.00 O ATOM 715 CB PRO A 49 -0.642 3.024 9.615 1.00 0.00 C ATOM 716 CG PRO A 49 0.081 4.216 9.089 1.00 0.00 C ATOM 717 CD PRO A 49 1.497 3.769 8.850 1.00 0.00 C ATOM 0 HA PRO A 49 0.050 0.928 9.531 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.707 3.075 9.388 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.550 2.952 10.699 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.376 4.574 8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.047 5.039 9.802 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.943 4.284 7.999 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.133 3.970 9.712 1.00 0.00 H new ATOM 725 N LEU A 50 -1.722 0.529 7.845 1.00 0.00 N ATOM 726 CA LEU A 50 -2.546 0.067 6.733 1.00 0.00 C ATOM 727 C LEU A 50 -3.079 1.246 5.924 1.00 0.00 C ATOM 728 O LEU A 50 -3.036 1.239 4.694 1.00 0.00 O ATOM 729 CB LEU A 50 -3.710 -0.778 7.252 1.00 0.00 C ATOM 730 CG LEU A 50 -4.465 -1.597 6.205 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.170 -0.680 5.217 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.515 -2.537 5.477 1.00 0.00 C ATOM 0 H LEU A 50 -1.944 0.098 8.742 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.923 -0.545 6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.327 -1.460 8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.420 -0.116 7.748 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.219 -2.197 6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.702 -1.280 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.880 -0.048 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.434 -0.054 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.069 -3.112 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.739 -1.956 4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.056 -3.217 6.194 1.00 0.00 H new ATOM 744 N THR A 51 -3.580 2.259 6.624 1.00 0.00 N ATOM 745 CA THR A 51 -4.120 3.445 5.972 1.00 0.00 C ATOM 746 C THR A 51 -3.099 4.064 5.025 1.00 0.00 C ATOM 747 O THR A 51 -3.463 4.729 4.055 1.00 0.00 O ATOM 748 CB THR A 51 -4.555 4.504 7.003 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.280 5.553 6.352 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.349 5.085 7.724 1.00 0.00 C ATOM 0 H THR A 51 -3.623 2.281 7.643 1.00 0.00 H new ATOM 0 HA THR A 51 -4.992 3.123 5.402 1.00 0.00 H new ATOM 0 HB THR A 51 -5.199 4.021 7.738 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.554 6.221 7.014 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.681 5.830 8.447 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.817 4.288 8.243 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.683 5.554 7.000 1.00 0.00 H new ATOM 758 N GLU A 52 -1.821 3.841 5.312 1.00 0.00 N ATOM 759 CA GLU A 52 -0.748 4.379 4.483 1.00 0.00 C ATOM 760 C GLU A 52 -0.461 3.459 3.300 1.00 0.00 C ATOM 761 O GLU A 52 -0.374 3.909 2.157 1.00 0.00 O ATOM 762 CB GLU A 52 0.522 4.569 5.315 1.00 0.00 C ATOM 763 CG GLU A 52 0.546 5.870 6.100 1.00 0.00 C ATOM 764 CD GLU A 52 0.720 7.085 5.210 1.00 0.00 C ATOM 765 OE1 GLU A 52 1.145 6.913 4.048 1.00 0.00 O ATOM 766 OE2 GLU A 52 0.430 8.208 5.674 1.00 0.00 O ATOM 0 H GLU A 52 -1.503 3.292 6.111 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.071 5.347 4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.620 3.734 6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.388 4.537 4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.382 5.967 6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.358 5.837 6.826 1.00 0.00 H new ATOM 773 N ILE A 53 -0.313 2.169 3.584 1.00 0.00 N ATOM 774 CA ILE A 53 -0.037 1.186 2.544 1.00 0.00 C ATOM 775 C ILE A 53 -1.164 1.139 1.518 1.00 0.00 C ATOM 776 O ILE A 53 -0.940 0.828 0.349 1.00 0.00 O ATOM 777 CB ILE A 53 0.161 -0.221 3.138 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.586 -0.378 3.672 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.138 -1.285 2.092 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.879 0.491 4.875 1.00 0.00 C ATOM 0 H ILE A 53 -0.380 1.781 4.525 1.00 0.00 H new ATOM 0 HA ILE A 53 0.885 1.497 2.053 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.534 -0.349 3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.753 -1.422 3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.292 -0.135 2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.007 -2.274 2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.170 -1.184 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.535 -1.160 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.907 0.328 5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.745 1.539 4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.197 0.233 5.685 1.00 0.00 H new ATOM 792 N ASN A 54 -2.376 1.451 1.964 1.00 0.00 N ATOM 793 CA ASN A 54 -3.539 1.445 1.084 1.00 0.00 C ATOM 794 C ASN A 54 -3.470 2.596 0.084 1.00 0.00 C ATOM 795 O ASN A 54 -3.540 2.386 -1.127 1.00 0.00 O ATOM 796 CB ASN A 54 -4.826 1.545 1.905 1.00 0.00 C ATOM 797 CG ASN A 54 -5.373 0.184 2.291 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.770 -0.847 1.991 1.00 0.00 O ATOM 799 ND2 ASN A 54 -6.521 0.175 2.958 1.00 0.00 N ATOM 0 H ASN A 54 -2.579 1.711 2.929 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.541 0.506 0.531 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.634 2.126 2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.578 2.087 1.332 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.938 -0.711 3.243 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.986 1.054 3.185 1.00 0.00 H new ATOM 806 N LYS A 55 -3.332 3.813 0.600 1.00 0.00 N ATOM 807 CA LYS A 55 -3.251 4.998 -0.246 1.00 0.00 C ATOM 808 C LYS A 55 -1.973 4.986 -1.078 1.00 0.00 C ATOM 809 O LYS A 55 -1.958 5.455 -2.216 1.00 0.00 O ATOM 810 CB LYS A 55 -3.304 6.265 0.610 1.00 0.00 C ATOM 811 CG LYS A 55 -1.999 6.571 1.325 1.00 0.00 C ATOM 812 CD LYS A 55 -1.922 8.029 1.745 1.00 0.00 C ATOM 813 CE LYS A 55 -3.122 8.430 2.589 1.00 0.00 C ATOM 814 NZ LYS A 55 -3.105 7.772 3.925 1.00 0.00 N ATOM 0 H LYS A 55 -3.274 4.004 1.600 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.104 4.989 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.568 7.111 -0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.098 6.161 1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.906 5.933 2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.160 6.335 0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.005 8.198 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.871 8.662 0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.130 9.512 2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.040 8.164 2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.871 8.159 4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.242 6.748 3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.190 7.949 4.387 1.00 0.00 H new ATOM 828 N ILE A 56 -0.903 4.447 -0.503 1.00 0.00 N ATOM 829 CA ILE A 56 0.379 4.372 -1.194 1.00 0.00 C ATOM 830 C ILE A 56 0.345 3.327 -2.303 1.00 0.00 C ATOM 831 O ILE A 56 0.692 3.612 -3.450 1.00 0.00 O ATOM 832 CB ILE A 56 1.524 4.036 -0.220 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.752 5.194 0.753 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.798 3.724 -0.990 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.456 4.783 2.027 1.00 0.00 C ATOM 0 H ILE A 56 -0.898 4.056 0.439 1.00 0.00 H new ATOM 0 HA ILE A 56 0.561 5.354 -1.630 1.00 0.00 H new ATOM 0 HB ILE A 56 1.245 3.154 0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.340 5.966 0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.790 5.640 1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.599 3.488 -0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.627 2.870 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.083 4.590 -1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.584 5.654 2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.859 4.033 2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.433 4.365 1.784 1.00 0.00 H new ATOM 847 N LEU A 57 -0.075 2.116 -1.955 1.00 0.00 N ATOM 848 CA LEU A 57 -0.156 1.027 -2.922 1.00 0.00 C ATOM 849 C LEU A 57 -0.935 1.456 -4.162 1.00 0.00 C ATOM 850 O LEU A 57 -0.581 1.097 -5.285 1.00 0.00 O ATOM 851 CB LEU A 57 -0.820 -0.197 -2.287 1.00 0.00 C ATOM 852 CG LEU A 57 0.074 -1.057 -1.394 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.754 -2.093 -0.649 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.160 -1.733 -2.218 1.00 0.00 C ATOM 0 H LEU A 57 -0.365 1.863 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 57 0.858 0.767 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.671 0.142 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.215 -0.826 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 57 0.553 -0.408 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.101 -2.696 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.494 -1.589 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.261 -2.738 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.787 -2.341 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.700 -2.369 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.772 -0.974 -2.705 1.00 0.00 H new ATOM 866 N LYS A 58 -1.995 2.227 -3.950 1.00 0.00 N ATOM 867 CA LYS A 58 -2.823 2.709 -5.050 1.00 0.00 C ATOM 868 C LYS A 58 -2.062 3.722 -5.900 1.00 0.00 C ATOM 869 O LYS A 58 -1.821 3.495 -7.085 1.00 0.00 O ATOM 870 CB LYS A 58 -4.106 3.343 -4.509 1.00 0.00 C ATOM 871 CG LYS A 58 -5.269 3.290 -5.485 1.00 0.00 C ATOM 872 CD LYS A 58 -6.601 3.467 -4.776 1.00 0.00 C ATOM 873 CE LYS A 58 -7.767 3.099 -5.681 1.00 0.00 C ATOM 874 NZ LYS A 58 -7.989 1.628 -5.730 1.00 0.00 N ATOM 0 H LYS A 58 -2.302 2.532 -3.026 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.083 1.856 -5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.392 2.835 -3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.906 4.383 -4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.150 4.070 -6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.260 2.336 -6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.623 2.845 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.706 4.501 -4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.672 3.591 -5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.577 3.471 -6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.792 1.419 -6.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.134 1.160 -6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.196 1.276 -4.773 1.00 0.00 H new ATOM 888 N ASN A 59 -1.685 4.839 -5.286 1.00 0.00 N ATOM 889 CA ASN A 59 -0.950 5.886 -5.987 1.00 0.00 C ATOM 890 C ASN A 59 0.013 5.285 -7.006 1.00 0.00 C ATOM 891 O ASN A 59 0.027 5.682 -8.172 1.00 0.00 O ATOM 892 CB ASN A 59 -0.180 6.752 -4.989 1.00 0.00 C ATOM 893 CG ASN A 59 -0.991 7.939 -4.506 1.00 0.00 C ATOM 894 OD1 ASN A 59 -0.619 9.091 -4.728 1.00 0.00 O ATOM 895 ND2 ASN A 59 -2.107 7.662 -3.842 1.00 0.00 N ATOM 0 H ASN A 59 -1.876 5.042 -4.305 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.670 6.509 -6.518 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.112 6.143 -4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.739 7.109 -5.455 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.694 8.420 -3.493 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.377 6.692 -3.681 1.00 0.00 H new ATOM 902 N LEU A 60 0.817 4.327 -6.559 1.00 0.00 N ATOM 903 CA LEU A 60 1.783 3.670 -7.432 1.00 0.00 C ATOM 904 C LEU A 60 1.086 3.001 -8.612 1.00 0.00 C ATOM 905 O LEU A 60 1.564 3.064 -9.744 1.00 0.00 O ATOM 906 CB LEU A 60 2.587 2.632 -6.646 1.00 0.00 C ATOM 907 CG LEU A 60 3.384 3.163 -5.453 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.935 2.013 -4.625 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.511 4.070 -5.926 1.00 0.00 C ATOM 0 H LEU A 60 0.819 3.988 -5.597 1.00 0.00 H new ATOM 0 HA LEU A 60 2.461 4.431 -7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.900 1.866 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.279 2.143 -7.331 1.00 0.00 H new ATOM 0 HG LEU A 60 2.713 3.748 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.499 2.410 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.111 1.403 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.591 1.401 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.067 4.439 -5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.181 3.509 -6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.093 4.913 -6.476 1.00 0.00 H new ATOM 921 N GLU A 61 -0.049 2.364 -8.339 1.00 0.00 N ATOM 922 CA GLU A 61 -0.813 1.686 -9.379 1.00 0.00 C ATOM 923 C GLU A 61 -1.351 2.686 -10.398 1.00 0.00 C ATOM 924 O GLU A 61 -1.689 2.320 -11.524 1.00 0.00 O ATOM 925 CB GLU A 61 -1.970 0.898 -8.761 1.00 0.00 C ATOM 926 CG GLU A 61 -1.543 -0.419 -8.135 1.00 0.00 C ATOM 927 CD GLU A 61 -2.720 -1.246 -7.656 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.633 -0.669 -7.027 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.730 -2.469 -7.909 1.00 0.00 O ATOM 0 H GLU A 61 -0.459 2.304 -7.407 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.145 0.994 -9.892 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.452 1.513 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.716 0.700 -9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.972 -0.995 -8.863 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.878 -0.219 -7.295 1.00 0.00 H new ATOM 936 N SER A 62 -1.428 3.950 -9.995 1.00 0.00 N ATOM 937 CA SER A 62 -1.929 5.003 -10.870 1.00 0.00 C ATOM 938 C SER A 62 -0.778 5.730 -11.560 1.00 0.00 C ATOM 939 O SER A 62 -0.945 6.298 -12.639 1.00 0.00 O ATOM 940 CB SER A 62 -2.772 6.000 -10.073 1.00 0.00 C ATOM 941 OG SER A 62 -3.737 6.628 -10.900 1.00 0.00 O ATOM 0 H SER A 62 -1.150 4.270 -9.067 1.00 0.00 H new ATOM 0 HA SER A 62 -2.553 4.540 -11.634 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.272 5.485 -9.253 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.124 6.755 -9.628 1.00 0.00 H new ATOM 0 HG SER A 62 -4.264 7.259 -10.367 1.00 0.00 H new ATOM 947 N LYS A 63 0.390 5.707 -10.928 1.00 0.00 N ATOM 948 CA LYS A 63 1.571 6.361 -11.479 1.00 0.00 C ATOM 949 C LYS A 63 2.328 5.422 -12.413 1.00 0.00 C ATOM 950 O LYS A 63 3.505 5.634 -12.703 1.00 0.00 O ATOM 951 CB LYS A 63 2.494 6.828 -10.351 1.00 0.00 C ATOM 952 CG LYS A 63 1.800 7.705 -9.322 1.00 0.00 C ATOM 953 CD LYS A 63 2.409 7.531 -7.941 1.00 0.00 C ATOM 954 CE LYS A 63 3.570 8.489 -7.719 1.00 0.00 C ATOM 955 NZ LYS A 63 3.151 9.911 -7.869 1.00 0.00 N ATOM 0 H LYS A 63 0.544 5.242 -10.033 1.00 0.00 H new ATOM 0 HA LYS A 63 1.241 7.227 -12.053 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.912 5.955 -9.850 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.330 7.379 -10.781 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.873 8.750 -9.624 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.739 7.457 -9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.646 7.701 -7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.755 6.504 -7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.983 8.335 -6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.365 8.267 -8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.793 10.521 -7.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.187 10.179 -8.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.180 10.026 -7.514 1.00 0.00 H new ATOM 969 N LYS A 64 1.644 4.384 -12.882 1.00 0.00 N ATOM 970 CA LYS A 64 2.250 3.413 -13.785 1.00 0.00 C ATOM 971 C LYS A 64 3.549 2.864 -13.203 1.00 0.00 C ATOM 972 O LYS A 64 4.500 2.584 -13.934 1.00 0.00 O ATOM 973 CB LYS A 64 2.522 4.054 -15.148 1.00 0.00 C ATOM 974 CG LYS A 64 1.295 4.127 -16.041 1.00 0.00 C ATOM 975 CD LYS A 64 1.386 5.286 -17.020 1.00 0.00 C ATOM 976 CE LYS A 64 2.171 4.902 -18.265 1.00 0.00 C ATOM 977 NZ LYS A 64 2.836 6.080 -18.887 1.00 0.00 N ATOM 0 H LYS A 64 0.669 4.194 -12.651 1.00 0.00 H new ATOM 0 HA LYS A 64 1.551 2.587 -13.911 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.911 5.061 -14.996 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.300 3.486 -15.659 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.188 3.192 -16.591 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.402 4.238 -15.426 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.383 5.603 -17.304 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.864 6.137 -16.535 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.922 4.156 -18.005 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.500 4.440 -18.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.360 5.776 -19.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.117 6.781 -19.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.495 6.507 -18.205 1.00 0.00 H new ATOM 991 N LEU A 65 3.581 2.711 -11.884 1.00 0.00 N ATOM 992 CA LEU A 65 4.763 2.193 -11.202 1.00 0.00 C ATOM 993 C LEU A 65 4.573 0.730 -10.818 1.00 0.00 C ATOM 994 O LEU A 65 5.512 -0.065 -10.876 1.00 0.00 O ATOM 995 CB LEU A 65 5.062 3.026 -9.954 1.00 0.00 C ATOM 996 CG LEU A 65 5.485 4.474 -10.199 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.923 5.130 -8.899 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.601 4.537 -11.232 1.00 0.00 C ATOM 0 H LEU A 65 2.803 2.938 -11.265 1.00 0.00 H new ATOM 0 HA LEU A 65 5.607 2.262 -11.888 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.173 3.030 -9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.851 2.529 -9.390 1.00 0.00 H new ATOM 0 HG LEU A 65 4.626 5.022 -10.587 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.220 6.160 -9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.096 5.119 -8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.767 4.581 -8.481 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.889 5.576 -11.393 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.462 3.973 -10.872 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.252 4.107 -12.171 1.00 0.00 H new ATOM 1010 N ILE A 66 3.352 0.380 -10.428 1.00 0.00 N ATOM 1011 CA ILE A 66 3.038 -0.989 -10.037 1.00 0.00 C ATOM 1012 C ILE A 66 1.668 -1.409 -10.559 1.00 0.00 C ATOM 1013 O ILE A 66 1.015 -0.666 -11.292 1.00 0.00 O ATOM 1014 CB ILE A 66 3.066 -1.158 -8.507 1.00 0.00 C ATOM 1015 CG1 ILE A 66 1.877 -0.436 -7.870 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.377 -0.634 -7.939 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.588 -0.880 -6.453 1.00 0.00 C ATOM 0 H ILE A 66 2.564 1.025 -10.374 1.00 0.00 H new ATOM 0 HA ILE A 66 3.804 -1.627 -10.479 1.00 0.00 H new ATOM 0 HB ILE A 66 2.990 -2.220 -8.273 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.070 0.637 -7.874 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.991 -0.603 -8.482 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.381 -0.761 -6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.209 -1.189 -8.372 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.481 0.424 -8.181 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.733 -0.326 -6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.364 -1.947 -6.445 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.459 -0.688 -5.827 1.00 0.00 H new ATOM 1029 N LYS A 67 1.237 -2.606 -10.176 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.057 -3.126 -10.602 1.00 0.00 C ATOM 1031 C LYS A 67 -0.519 -4.253 -9.683 1.00 0.00 C ATOM 1032 O LYS A 67 0.288 -4.878 -8.997 1.00 0.00 O ATOM 1033 CB LYS A 67 0.023 -3.630 -12.045 1.00 0.00 C ATOM 1034 CG LYS A 67 1.014 -4.764 -12.239 1.00 0.00 C ATOM 1035 CD LYS A 67 0.986 -5.291 -13.664 1.00 0.00 C ATOM 1036 CE LYS A 67 1.616 -6.672 -13.760 1.00 0.00 C ATOM 1037 NZ LYS A 67 3.095 -6.598 -13.918 1.00 0.00 N ATOM 0 H LYS A 67 1.765 -3.235 -9.571 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.783 -2.315 -10.547 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.966 -3.965 -12.359 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.301 -2.801 -12.696 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.018 -4.416 -11.999 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.783 -5.573 -11.546 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.044 -5.335 -14.017 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.518 -4.601 -14.319 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.375 -7.244 -12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.187 -7.209 -14.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.534 -7.430 -13.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.335 -6.578 -14.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.450 -5.734 -13.461 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.824 -4.507 -9.677 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.393 -5.560 -8.845 1.00 0.00 C ATOM 1053 C ALA A 68 -2.502 -6.871 -9.618 1.00 0.00 C ATOM 1054 O ALA A 68 -3.099 -6.921 -10.694 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.758 -5.140 -8.321 1.00 0.00 C ATOM 0 H ALA A 68 -2.506 -3.998 -10.239 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.725 -5.721 -7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.171 -5.936 -7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.656 -4.233 -7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.427 -4.950 -9.160 1.00 0.00 H new ATOM 1061 N VAL A 69 -1.921 -7.930 -9.063 1.00 0.00 N ATOM 1062 CA VAL A 69 -1.953 -9.241 -9.701 1.00 0.00 C ATOM 1063 C VAL A 69 -2.504 -10.299 -8.752 1.00 0.00 C ATOM 1064 O VAL A 69 -1.775 -10.849 -7.926 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.551 -9.670 -10.173 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -0.552 -11.134 -10.587 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.080 -8.784 -11.316 1.00 0.00 C ATOM 0 H VAL A 69 -1.423 -7.906 -8.173 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.609 -9.156 -10.567 1.00 0.00 H new ATOM 0 HB VAL A 69 0.145 -9.553 -9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.447 -11.419 -10.918 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.844 -11.752 -9.738 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.260 -11.281 -11.403 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.912 -9.101 -11.637 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.775 -8.867 -12.151 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.039 -7.748 -10.980 1.00 0.00 H new ATOM 1223 N VAL A 79 -2.185 -8.755 -4.355 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.749 -8.649 -4.584 1.00 0.00 C ATOM 1225 C VAL A 79 -0.418 -7.433 -5.441 1.00 0.00 C ATOM 1226 O VAL A 79 -1.218 -7.012 -6.276 1.00 0.00 O ATOM 1227 CB VAL A 79 -0.196 -9.913 -5.270 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.325 -9.923 -5.223 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.765 -11.164 -4.620 1.00 0.00 C ATOM 0 HA VAL A 79 -0.279 -8.540 -3.607 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.504 -9.902 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.698 -10.823 -5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.711 -9.043 -5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.657 -9.910 -4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.364 -12.047 -5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.489 -11.184 -3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.851 -11.159 -4.710 1.00 0.00 H new ATOM 1239 N TYR A 80 0.768 -6.872 -5.228 1.00 0.00 N ATOM 1240 CA TYR A 80 1.205 -5.701 -5.979 1.00 0.00 C ATOM 1241 C TYR A 80 2.627 -5.888 -6.499 1.00 0.00 C ATOM 1242 O TYR A 80 3.521 -6.301 -5.761 1.00 0.00 O ATOM 1243 CB TYR A 80 1.132 -4.450 -5.103 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.269 -4.113 -4.644 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -1.090 -3.286 -5.401 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.773 -4.624 -3.454 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -2.370 -2.976 -4.986 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -2.053 -4.320 -3.031 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.847 -3.495 -3.801 1.00 0.00 C ATOM 1250 OH TYR A 80 -4.122 -3.189 -3.384 1.00 0.00 O ATOM 0 H TYR A 80 1.443 -7.209 -4.542 1.00 0.00 H new ATOM 0 HA TYR A 80 0.538 -5.578 -6.832 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.768 -4.591 -4.229 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.537 -3.604 -5.658 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.720 -2.879 -6.330 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.154 -5.270 -2.849 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.994 -2.331 -5.586 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.430 -4.726 -2.104 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.303 -3.636 -2.531 1.00 0.00 H new ATOM 1260 N MET A 81 2.828 -5.581 -7.777 1.00 0.00 N ATOM 1261 CA MET A 81 4.141 -5.713 -8.397 1.00 0.00 C ATOM 1262 C MET A 81 4.364 -4.619 -9.436 1.00 0.00 C ATOM 1263 O MET A 81 3.415 -3.984 -9.897 1.00 0.00 O ATOM 1264 CB MET A 81 4.285 -7.090 -9.049 1.00 0.00 C ATOM 1265 CG MET A 81 3.714 -7.158 -10.456 1.00 0.00 C ATOM 1266 SD MET A 81 3.962 -8.768 -11.229 1.00 0.00 S ATOM 1267 CE MET A 81 2.898 -9.796 -10.220 1.00 0.00 C ATOM 0 H MET A 81 2.098 -5.239 -8.403 1.00 0.00 H new ATOM 0 HA MET A 81 4.896 -5.608 -7.617 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.341 -7.360 -9.081 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.785 -7.832 -8.426 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.647 -6.936 -10.422 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.181 -6.388 -11.071 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.405 -10.537 -10.849 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.495 -10.303 -9.461 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.146 -9.175 -9.735 1.00 0.00 H new ATOM 1277 N LEU A 82 5.623 -4.404 -9.801 1.00 0.00 N ATOM 1278 CA LEU A 82 5.971 -3.386 -10.787 1.00 0.00 C ATOM 1279 C LEU A 82 5.035 -3.451 -11.990 1.00 0.00 C ATOM 1280 O LEU A 82 4.624 -4.532 -12.411 1.00 0.00 O ATOM 1281 CB LEU A 82 7.420 -3.564 -11.243 1.00 0.00 C ATOM 1282 CG LEU A 82 8.494 -3.284 -10.191 1.00 0.00 C ATOM 1283 CD1 LEU A 82 9.739 -4.114 -10.466 1.00 0.00 C ATOM 1284 CD2 LEU A 82 8.836 -1.802 -10.159 1.00 0.00 C ATOM 0 H LEU A 82 6.420 -4.921 -9.429 1.00 0.00 H new ATOM 0 HA LEU A 82 5.862 -2.408 -10.318 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.545 -4.587 -11.598 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.595 -2.908 -12.095 1.00 0.00 H new ATOM 0 HG LEU A 82 8.101 -3.567 -9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.493 -3.902 -9.708 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.484 -5.173 -10.438 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.134 -3.862 -11.450 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.602 -1.622 -9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.209 -1.493 -11.136 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.943 -1.228 -9.914 1.00 0.00 H new ATOM 1296 N TYR A 83 4.705 -2.288 -12.539 1.00 0.00 N ATOM 1297 CA TYR A 83 3.818 -2.212 -13.694 1.00 0.00 C ATOM 1298 C TYR A 83 4.561 -2.573 -14.976 1.00 0.00 C ATOM 1299 O TYR A 83 3.984 -3.141 -15.902 1.00 0.00 O ATOM 1300 CB TYR A 83 3.222 -0.808 -13.814 1.00 0.00 C ATOM 1301 CG TYR A 83 2.202 -0.677 -14.922 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.225 -1.646 -15.112 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.214 0.417 -15.778 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.291 -1.530 -16.124 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.283 0.542 -16.791 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.324 -0.434 -16.961 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.605 -0.315 -17.968 1.00 0.00 O ATOM 0 H TYR A 83 5.038 -1.384 -12.203 1.00 0.00 H new ATOM 0 HA TYR A 83 3.011 -2.931 -13.549 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.754 -0.539 -12.867 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.027 -0.094 -13.986 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.195 -2.505 -14.458 1.00 0.00 H new ATOM 0 HD2 TYR A 83 2.964 1.183 -15.649 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.461 -2.293 -16.259 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.306 1.400 -17.447 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.444 0.514 -18.465 1.00 0.00 H new ATOM 1317 N ASN A 84 5.847 -2.239 -15.021 1.00 0.00 N ATOM 1318 CA ASN A 84 6.671 -2.528 -16.189 1.00 0.00 C ATOM 1319 C ASN A 84 6.880 -4.031 -16.350 1.00 0.00 C ATOM 1320 O ASN A 84 6.883 -4.552 -17.466 1.00 0.00 O ATOM 1321 CB ASN A 84 8.024 -1.824 -16.071 1.00 0.00 C ATOM 1322 CG ASN A 84 9.016 -2.298 -17.116 1.00 0.00 C ATOM 1323 OD1 ASN A 84 9.028 -1.807 -18.245 1.00 0.00 O ATOM 1324 ND2 ASN A 84 9.854 -3.258 -16.743 1.00 0.00 N ATOM 0 H ASN A 84 6.341 -1.768 -14.263 1.00 0.00 H new ATOM 0 HA ASN A 84 6.150 -2.155 -17.071 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.881 -0.748 -16.172 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.436 -1.999 -15.077 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.544 -3.618 -17.403 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.808 -3.636 -15.797 1.00 0.00 H new