USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 SER OG : rot -112:sc= 0.364 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -6.45! C(o=-6.1!,f=-16!) USER MOD Set 1.3: A 94 MET CE :methyl -159:sc= 0 (180deg=-0.00412) USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= -0.0295 (180deg=-0.245) USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= -0.162 (180deg=-0.774) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 5:sc= 0.441 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.104 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc=-0.00099 X(o=-0.00099,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 47:sc= 0.167 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot -102:sc= 1.92 USER MOD Single : A 101 THR OG1 : rot 121:sc= 0.585 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -177:sc=-0.00882 (180deg=-0.0229) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl 154:sc= -0.137 (180deg=-0.979) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.591 -3.673 4.303 1.00 0.00 N ATOM 266 CA PRO A 20 -12.615 -4.131 5.296 1.00 0.00 C ATOM 267 C PRO A 20 -11.183 -4.059 4.778 1.00 0.00 C ATOM 268 O PRO A 20 -10.871 -4.586 3.709 1.00 0.00 O ATOM 269 CB PRO A 20 -13.020 -5.586 5.546 1.00 0.00 C ATOM 270 CG PRO A 20 -13.668 -6.022 4.278 1.00 0.00 C ATOM 271 CD PRO A 20 -14.253 -4.793 3.615 1.00 0.00 C ATOM 0 HA PRO A 20 -12.624 -3.511 6.192 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.153 -6.204 5.780 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.706 -5.667 6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.941 -6.501 3.622 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.448 -6.756 4.480 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.049 -4.781 2.544 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.336 -4.752 3.734 1.00 0.00 H new ATOM 279 N VAL A 21 -10.314 -3.403 5.541 1.00 0.00 N ATOM 280 CA VAL A 21 -8.914 -3.263 5.159 1.00 0.00 C ATOM 281 C VAL A 21 -8.121 -4.517 5.511 1.00 0.00 C ATOM 282 O VAL A 21 -8.141 -4.977 6.652 1.00 0.00 O ATOM 283 CB VAL A 21 -8.264 -2.048 5.846 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.816 -1.895 5.404 1.00 0.00 C ATOM 285 CG2 VAL A 21 -9.056 -0.783 5.551 1.00 0.00 C ATOM 0 H VAL A 21 -10.555 -2.960 6.428 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.893 -3.114 4.079 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.274 -2.213 6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.374 -1.031 5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.257 -2.792 5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.778 -1.752 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.583 0.066 6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.079 -0.611 4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.075 -0.897 5.922 1.00 0.00 H new ATOM 295 N VAL A 22 -7.422 -5.065 4.522 1.00 0.00 N ATOM 296 CA VAL A 22 -6.619 -6.265 4.726 1.00 0.00 C ATOM 297 C VAL A 22 -5.401 -5.970 5.594 1.00 0.00 C ATOM 298 O VAL A 22 -5.236 -6.550 6.667 1.00 0.00 O ATOM 299 CB VAL A 22 -6.149 -6.861 3.386 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.229 -8.049 3.624 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.343 -7.263 2.534 1.00 0.00 C ATOM 0 H VAL A 22 -7.396 -4.697 3.571 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.256 -6.990 5.233 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.587 -6.099 2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.907 -8.457 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.357 -7.726 4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.763 -8.816 4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.992 -7.682 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.934 -8.009 3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.959 -6.386 2.335 1.00 0.00 H new ATOM 311 N ARG A 23 -4.551 -5.064 5.123 1.00 0.00 N ATOM 312 CA ARG A 23 -3.347 -4.692 5.856 1.00 0.00 C ATOM 313 C ARG A 23 -2.807 -3.350 5.370 1.00 0.00 C ATOM 314 O ARG A 23 -2.773 -3.082 4.169 1.00 0.00 O ATOM 315 CB ARG A 23 -2.275 -5.772 5.699 1.00 0.00 C ATOM 316 CG ARG A 23 -1.340 -5.880 6.892 1.00 0.00 C ATOM 317 CD ARG A 23 -0.146 -6.772 6.586 1.00 0.00 C ATOM 318 NE ARG A 23 0.925 -6.041 5.914 1.00 0.00 N ATOM 319 CZ ARG A 23 1.816 -5.291 6.552 1.00 0.00 C ATOM 320 NH1 ARG A 23 1.765 -5.173 7.872 1.00 0.00 N ATOM 321 NH2 ARG A 23 2.761 -4.656 5.870 1.00 0.00 N ATOM 0 H ARG A 23 -4.674 -4.574 4.237 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.608 -4.599 6.910 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.761 -6.735 5.541 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.687 -5.561 4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.991 -4.886 7.173 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.885 -6.280 7.747 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.234 -7.200 7.514 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.466 -7.604 5.959 1.00 0.00 H new ATOM 0 HE ARG A 23 0.992 -6.110 4.899 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.040 -5.659 8.400 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.451 -4.596 8.359 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.803 -4.744 4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.445 -4.080 6.361 1.00 0.00 H new ATOM 335 N ARG A 24 -2.388 -2.511 6.311 1.00 0.00 N ATOM 336 CA ARG A 24 -1.852 -1.196 5.979 1.00 0.00 C ATOM 337 C ARG A 24 -0.478 -0.994 6.612 1.00 0.00 C ATOM 338 O ARG A 24 -0.316 -1.122 7.825 1.00 0.00 O ATOM 339 CB ARG A 24 -2.808 -0.099 6.449 1.00 0.00 C ATOM 340 CG ARG A 24 -3.237 -0.245 7.900 1.00 0.00 C ATOM 341 CD ARG A 24 -4.145 0.897 8.330 1.00 0.00 C ATOM 342 NE ARG A 24 -4.587 0.753 9.715 1.00 0.00 N ATOM 343 CZ ARG A 24 -5.440 -0.181 10.120 1.00 0.00 C ATOM 344 NH1 ARG A 24 -5.941 -1.049 9.252 1.00 0.00 N ATOM 345 NH2 ARG A 24 -5.795 -0.248 11.397 1.00 0.00 N ATOM 0 H ARG A 24 -2.409 -2.718 7.310 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.747 -1.137 4.896 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.328 0.871 6.317 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.694 -0.105 5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.756 -1.194 8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.355 -0.271 8.540 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.617 1.843 8.215 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.015 0.935 7.674 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.221 1.405 10.409 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.672 -1.001 8.269 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.596 -1.765 9.567 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.413 0.418 12.068 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.450 -0.966 11.707 1.00 0.00 H new ATOM 359 N GLY A 25 0.510 -0.677 5.780 1.00 0.00 N ATOM 360 CA GLY A 25 1.857 -0.463 6.276 1.00 0.00 C ATOM 361 C GLY A 25 2.712 0.331 5.308 1.00 0.00 C ATOM 362 O GLY A 25 2.354 0.490 4.140 1.00 0.00 O ATOM 0 H GLY A 25 0.401 -0.565 4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.810 0.062 7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.328 -1.427 6.466 1.00 0.00 H new ATOM 366 N TRP A 26 3.843 0.831 5.792 1.00 0.00 N ATOM 367 CA TRP A 26 4.750 1.614 4.961 1.00 0.00 C ATOM 368 C TRP A 26 5.565 0.710 4.044 1.00 0.00 C ATOM 369 O TRP A 26 6.605 0.183 4.440 1.00 0.00 O ATOM 370 CB TRP A 26 5.685 2.449 5.838 1.00 0.00 C ATOM 371 CG TRP A 26 5.010 3.627 6.473 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.410 3.665 7.699 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.866 4.936 5.912 1.00 0.00 C ATOM 374 NE1 TRP A 26 3.901 4.920 7.934 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.168 5.718 6.853 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.260 5.525 4.707 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.856 7.056 6.625 1.00 0.00 C ATOM 378 CZ3 TRP A 26 4.949 6.853 4.482 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.254 7.606 5.437 1.00 0.00 C ATOM 0 H TRP A 26 4.154 0.708 6.756 1.00 0.00 H new ATOM 0 HA TRP A 26 4.151 2.282 4.342 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.102 1.814 6.619 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.521 2.801 5.233 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.345 2.832 8.383 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.405 5.210 8.777 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.798 4.953 3.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.319 7.638 7.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.247 7.318 3.554 1.00 0.00 H new ATOM 0 HH2 TRP A 26 4.028 8.642 5.231 1.00 0.00 H new ATOM 390 N LEU A 27 5.088 0.535 2.817 1.00 0.00 N ATOM 391 CA LEU A 27 5.773 -0.306 1.842 1.00 0.00 C ATOM 392 C LEU A 27 6.674 0.530 0.938 1.00 0.00 C ATOM 393 O LEU A 27 6.339 1.662 0.587 1.00 0.00 O ATOM 394 CB LEU A 27 4.756 -1.075 0.996 1.00 0.00 C ATOM 395 CG LEU A 27 5.333 -2.096 0.015 1.00 0.00 C ATOM 396 CD1 LEU A 27 5.881 -3.302 0.761 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.276 -2.524 -0.992 1.00 0.00 C ATOM 0 H LEU A 27 4.229 0.965 2.473 1.00 0.00 H new ATOM 0 HA LEU A 27 6.394 -1.017 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.072 -1.593 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.164 -0.354 0.432 1.00 0.00 H new ATOM 0 HG LEU A 27 6.154 -1.627 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.287 -4.018 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.670 -2.981 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.079 -3.773 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.704 -3.251 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.434 -2.975 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.931 -1.653 -1.550 1.00 0.00 H new ATOM 409 N TYR A 28 7.816 -0.034 0.564 1.00 0.00 N ATOM 410 CA TYR A 28 8.765 0.659 -0.299 1.00 0.00 C ATOM 411 C TYR A 28 8.485 0.360 -1.769 1.00 0.00 C ATOM 412 O TYR A 28 8.293 -0.794 -2.154 1.00 0.00 O ATOM 413 CB TYR A 28 10.197 0.253 0.052 1.00 0.00 C ATOM 414 CG TYR A 28 10.507 0.343 1.529 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.780 1.566 2.129 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.526 -0.796 2.326 1.00 0.00 C ATOM 417 CE1 TYR A 28 11.065 1.653 3.478 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.808 -0.718 3.676 1.00 0.00 C ATOM 419 CZ TYR A 28 11.077 0.508 4.247 1.00 0.00 C ATOM 420 OH TYR A 28 11.359 0.590 5.591 1.00 0.00 O ATOM 0 H TYR A 28 8.108 -0.970 0.845 1.00 0.00 H new ATOM 0 HA TYR A 28 8.648 1.731 -0.137 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.369 -0.769 -0.285 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.891 0.890 -0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.769 2.465 1.530 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.317 -1.758 1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.277 2.612 3.928 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.818 -1.613 4.281 1.00 0.00 H new ATOM 0 HH TYR A 28 11.326 -0.306 5.987 1.00 0.00 H new ATOM 430 N LYS A 29 8.465 1.407 -2.586 1.00 0.00 N ATOM 431 CA LYS A 29 8.211 1.260 -4.014 1.00 0.00 C ATOM 432 C LYS A 29 9.334 1.887 -4.834 1.00 0.00 C ATOM 433 O LYS A 29 9.911 2.899 -4.439 1.00 0.00 O ATOM 434 CB LYS A 29 6.873 1.904 -4.384 1.00 0.00 C ATOM 435 CG LYS A 29 6.594 1.912 -5.877 1.00 0.00 C ATOM 436 CD LYS A 29 5.104 1.978 -6.166 1.00 0.00 C ATOM 437 CE LYS A 29 4.595 3.411 -6.148 1.00 0.00 C ATOM 438 NZ LYS A 29 5.086 4.188 -7.320 1.00 0.00 N ATOM 0 H LYS A 29 8.622 2.368 -2.283 1.00 0.00 H new ATOM 0 HA LYS A 29 8.170 0.195 -4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.070 1.371 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.858 2.929 -4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.093 2.765 -6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.014 1.015 -6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.901 1.531 -7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.562 1.389 -5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.505 3.409 -6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.916 3.899 -5.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.497 5.036 -7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.073 4.473 -7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.031 3.599 -8.175 1.00 0.00 H new ATOM 571 N TRP A 38 14.502 2.772 -3.540 1.00 0.00 N ATOM 572 CA TRP A 38 13.322 2.434 -2.752 1.00 0.00 C ATOM 573 C TRP A 38 12.851 3.633 -1.936 1.00 0.00 C ATOM 574 O TRP A 38 13.568 4.123 -1.063 1.00 0.00 O ATOM 575 CB TRP A 38 13.623 1.256 -1.824 1.00 0.00 C ATOM 576 CG TRP A 38 14.237 0.085 -2.530 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.568 -0.145 -2.731 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.543 -1.013 -3.131 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.743 -1.321 -3.420 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.516 -1.873 -3.676 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.194 -1.356 -3.259 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.181 -3.051 -4.340 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.863 -2.525 -3.918 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.853 -3.361 -4.451 1.00 0.00 C ATOM 0 HA TRP A 38 12.525 2.151 -3.440 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.296 1.588 -1.034 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.699 0.937 -1.342 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.366 0.502 -2.398 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.641 -1.718 -3.696 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.424 -0.719 -2.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.942 -3.696 -4.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.824 -2.799 -4.024 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.562 -4.268 -4.960 1.00 0.00 H new ATOM 595 N LYS A 39 11.642 4.102 -2.224 1.00 0.00 N ATOM 596 CA LYS A 39 11.074 5.243 -1.516 1.00 0.00 C ATOM 597 C LYS A 39 10.082 4.784 -0.453 1.00 0.00 C ATOM 598 O LYS A 39 9.423 3.755 -0.606 1.00 0.00 O ATOM 599 CB LYS A 39 10.382 6.187 -2.501 1.00 0.00 C ATOM 600 CG LYS A 39 11.342 6.898 -3.440 1.00 0.00 C ATOM 601 CD LYS A 39 12.078 8.026 -2.735 1.00 0.00 C ATOM 602 CE LYS A 39 13.389 8.357 -3.432 1.00 0.00 C ATOM 603 NZ LYS A 39 14.325 7.198 -3.433 1.00 0.00 N ATOM 0 H LYS A 39 11.036 3.709 -2.944 1.00 0.00 H new ATOM 0 HA LYS A 39 11.888 5.775 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.663 5.619 -3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.816 6.932 -1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.063 6.182 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.791 7.298 -4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.445 8.913 -2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.276 7.743 -1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.187 8.662 -4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.861 9.204 -2.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.232 7.484 -3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.915 6.420 -2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.482 6.879 -4.410 1.00 0.00 H new ATOM 617 N LYS A 40 9.979 5.554 0.625 1.00 0.00 N ATOM 618 CA LYS A 40 9.065 5.229 1.714 1.00 0.00 C ATOM 619 C LYS A 40 7.705 5.886 1.497 1.00 0.00 C ATOM 620 O LYS A 40 7.599 7.111 1.443 1.00 0.00 O ATOM 621 CB LYS A 40 9.653 5.679 3.053 1.00 0.00 C ATOM 622 CG LYS A 40 8.707 5.492 4.226 1.00 0.00 C ATOM 623 CD LYS A 40 8.868 4.121 4.860 1.00 0.00 C ATOM 624 CE LYS A 40 8.484 4.138 6.332 1.00 0.00 C ATOM 625 NZ LYS A 40 8.871 2.876 7.021 1.00 0.00 N ATOM 0 H LYS A 40 10.518 6.408 0.768 1.00 0.00 H new ATOM 0 HA LYS A 40 8.928 4.148 1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.570 5.121 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.929 6.731 2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.895 6.263 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.678 5.619 3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.248 3.399 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.901 3.790 4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.967 4.983 6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.408 4.287 6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.592 2.927 8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.391 2.072 6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.901 2.746 6.955 1.00 0.00 H new ATOM 639 N ARG A 41 6.669 5.063 1.375 1.00 0.00 N ATOM 640 CA ARG A 41 5.316 5.565 1.165 1.00 0.00 C ATOM 641 C ARG A 41 4.297 4.714 1.917 1.00 0.00 C ATOM 642 O ARG A 41 4.546 3.544 2.210 1.00 0.00 O ATOM 643 CB ARG A 41 4.981 5.580 -0.328 1.00 0.00 C ATOM 644 CG ARG A 41 5.487 6.816 -1.053 1.00 0.00 C ATOM 645 CD ARG A 41 4.611 8.026 -0.770 1.00 0.00 C ATOM 646 NE ARG A 41 5.052 9.207 -1.508 1.00 0.00 N ATOM 647 CZ ARG A 41 4.950 9.329 -2.827 1.00 0.00 C ATOM 648 NH1 ARG A 41 4.424 8.349 -3.548 1.00 0.00 N ATOM 649 NH2 ARG A 41 5.374 10.434 -3.426 1.00 0.00 N ATOM 0 H ARG A 41 6.740 4.046 1.418 1.00 0.00 H new ATOM 0 HA ARG A 41 5.269 6.583 1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.409 4.694 -0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.900 5.515 -0.450 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.511 7.027 -0.744 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.511 6.626 -2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.579 7.797 -1.037 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.624 8.241 0.299 1.00 0.00 H new ATOM 0 HE ARG A 41 5.460 9.980 -0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.096 7.498 -3.090 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.347 8.445 -4.560 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.778 11.190 -2.874 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.296 10.527 -4.439 1.00 0.00 H new ATOM 663 N TRP A 42 3.151 5.309 2.227 1.00 0.00 N ATOM 664 CA TRP A 42 2.095 4.605 2.946 1.00 0.00 C ATOM 665 C TRP A 42 1.208 3.824 1.983 1.00 0.00 C ATOM 666 O TRP A 42 0.500 4.408 1.163 1.00 0.00 O ATOM 667 CB TRP A 42 1.249 5.595 3.748 1.00 0.00 C ATOM 668 CG TRP A 42 0.279 4.931 4.678 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.073 5.119 4.724 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.588 3.973 5.697 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.623 4.336 5.710 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.626 3.623 6.321 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.770 3.376 6.141 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.687 2.704 7.365 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.708 2.465 7.178 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.486 2.135 7.780 1.00 0.00 C ATOM 0 H TRP A 42 2.929 6.276 1.992 1.00 0.00 H new ATOM 0 HA TRP A 42 2.564 3.900 3.632 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.910 6.242 4.325 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.699 6.235 3.058 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.628 5.785 4.080 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.614 4.293 5.948 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.716 3.622 5.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.627 2.449 7.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.616 1.999 7.531 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.470 1.418 8.587 1.00 0.00 H new ATOM 687 N PHE A 43 1.252 2.500 2.088 1.00 0.00 N ATOM 688 CA PHE A 43 0.452 1.638 1.225 1.00 0.00 C ATOM 689 C PHE A 43 -0.637 0.928 2.023 1.00 0.00 C ATOM 690 O PHE A 43 -0.430 0.547 3.175 1.00 0.00 O ATOM 691 CB PHE A 43 1.344 0.607 0.530 1.00 0.00 C ATOM 692 CG PHE A 43 2.037 1.140 -0.692 1.00 0.00 C ATOM 693 CD1 PHE A 43 1.402 1.129 -1.924 1.00 0.00 C ATOM 694 CD2 PHE A 43 3.322 1.651 -0.609 1.00 0.00 C ATOM 695 CE1 PHE A 43 2.037 1.618 -3.049 1.00 0.00 C ATOM 696 CE2 PHE A 43 3.962 2.142 -1.731 1.00 0.00 C ATOM 697 CZ PHE A 43 3.318 2.126 -2.953 1.00 0.00 C ATOM 0 H PHE A 43 1.833 2.001 2.762 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.025 2.264 0.471 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.094 0.252 1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.738 -0.254 0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.400 0.734 -2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.830 1.666 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.532 1.603 -4.004 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.964 2.538 -1.653 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.815 2.510 -3.832 1.00 0.00 H new ATOM 707 N VAL A 44 -1.800 0.755 1.403 1.00 0.00 N ATOM 708 CA VAL A 44 -2.923 0.091 2.054 1.00 0.00 C ATOM 709 C VAL A 44 -3.548 -0.956 1.140 1.00 0.00 C ATOM 710 O VAL A 44 -3.770 -0.708 -0.046 1.00 0.00 O ATOM 711 CB VAL A 44 -4.006 1.103 2.473 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.265 0.380 2.927 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.484 2.019 3.570 1.00 0.00 C ATOM 0 H VAL A 44 -1.989 1.066 0.450 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.528 -0.398 2.945 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.259 1.716 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.019 1.111 3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.649 -0.230 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.031 -0.259 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.262 2.727 3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.202 1.423 4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.613 2.564 3.205 1.00 0.00 H new ATOM 723 N LEU A 45 -3.829 -2.128 1.698 1.00 0.00 N ATOM 724 CA LEU A 45 -4.430 -3.215 0.933 1.00 0.00 C ATOM 725 C LEU A 45 -5.890 -3.416 1.325 1.00 0.00 C ATOM 726 O LEU A 45 -6.190 -4.051 2.336 1.00 0.00 O ATOM 727 CB LEU A 45 -3.649 -4.512 1.152 1.00 0.00 C ATOM 728 CG LEU A 45 -3.644 -5.498 -0.017 1.00 0.00 C ATOM 729 CD1 LEU A 45 -4.979 -6.220 -0.112 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.330 -4.779 -1.320 1.00 0.00 C ATOM 0 H LEU A 45 -3.650 -2.350 2.677 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.390 -2.947 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.617 -4.255 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.061 -5.017 2.026 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.865 -6.240 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.957 -6.917 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.163 -6.768 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.776 -5.493 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.331 -5.496 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.085 -4.015 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.349 -4.310 -1.249 1.00 0.00 H new ATOM 742 N SER A 46 -6.795 -2.871 0.518 1.00 0.00 N ATOM 743 CA SER A 46 -8.224 -2.989 0.782 1.00 0.00 C ATOM 744 C SER A 46 -9.005 -3.154 -0.519 1.00 0.00 C ATOM 745 O SER A 46 -8.653 -2.572 -1.545 1.00 0.00 O ATOM 746 CB SER A 46 -8.727 -1.758 1.539 1.00 0.00 C ATOM 747 OG SER A 46 -10.066 -1.936 1.969 1.00 0.00 O ATOM 0 H SER A 46 -6.564 -2.344 -0.324 1.00 0.00 H new ATOM 0 HA SER A 46 -8.383 -3.875 1.396 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.087 -1.570 2.401 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.662 -0.880 0.896 1.00 0.00 H new ATOM 0 HG SER A 46 -10.364 -1.137 2.452 1.00 0.00 H new ATOM 753 N ASP A 47 -10.066 -3.951 -0.467 1.00 0.00 N ATOM 754 CA ASP A 47 -10.899 -4.193 -1.639 1.00 0.00 C ATOM 755 C ASP A 47 -10.072 -4.774 -2.782 1.00 0.00 C ATOM 756 O ASP A 47 -10.224 -4.375 -3.938 1.00 0.00 O ATOM 757 CB ASP A 47 -11.573 -2.896 -2.089 1.00 0.00 C ATOM 758 CG ASP A 47 -12.459 -3.095 -3.303 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.246 -4.065 -3.311 1.00 0.00 O ATOM 760 OD2 ASP A 47 -12.365 -2.282 -4.246 1.00 0.00 O ATOM 0 H ASP A 47 -10.370 -4.441 0.375 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.667 -4.916 -1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.170 -2.497 -1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.809 -2.153 -2.318 1.00 0.00 H new ATOM 765 N LEU A 48 -9.196 -5.716 -2.453 1.00 0.00 N ATOM 766 CA LEU A 48 -8.343 -6.352 -3.451 1.00 0.00 C ATOM 767 C LEU A 48 -7.723 -5.312 -4.379 1.00 0.00 C ATOM 768 O LEU A 48 -7.689 -5.494 -5.597 1.00 0.00 O ATOM 769 CB LEU A 48 -9.148 -7.365 -4.267 1.00 0.00 C ATOM 770 CG LEU A 48 -9.819 -8.485 -3.473 1.00 0.00 C ATOM 771 CD1 LEU A 48 -10.806 -9.243 -4.347 1.00 0.00 C ATOM 772 CD2 LEU A 48 -8.774 -9.433 -2.901 1.00 0.00 C ATOM 0 H LEU A 48 -9.057 -6.057 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.539 -6.872 -2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.918 -6.827 -4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.484 -7.817 -5.004 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.368 -8.038 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.274 -10.036 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.573 -8.558 -4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.280 -9.679 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.270 -10.224 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.197 -9.873 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.106 -8.882 -2.239 1.00 0.00 H new ATOM 784 N CYS A 49 -7.233 -4.224 -3.796 1.00 0.00 N ATOM 785 CA CYS A 49 -6.613 -3.154 -4.570 1.00 0.00 C ATOM 786 C CYS A 49 -5.563 -2.421 -3.741 1.00 0.00 C ATOM 787 O CYS A 49 -5.549 -2.516 -2.513 1.00 0.00 O ATOM 788 CB CYS A 49 -7.674 -2.168 -5.059 1.00 0.00 C ATOM 789 SG CYS A 49 -7.110 -1.071 -6.381 1.00 0.00 S ATOM 0 H CYS A 49 -7.253 -4.059 -2.790 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.120 -3.602 -5.433 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.540 -2.728 -5.411 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -8.007 -1.562 -4.216 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.904 -1.403 -6.735 1.00 0.00 H new ATOM 795 N LEU A 50 -4.684 -1.692 -4.420 1.00 0.00 N ATOM 796 CA LEU A 50 -3.629 -0.944 -3.747 1.00 0.00 C ATOM 797 C LEU A 50 -3.977 0.539 -3.670 1.00 0.00 C ATOM 798 O LEU A 50 -4.411 1.138 -4.655 1.00 0.00 O ATOM 799 CB LEU A 50 -2.298 -1.130 -4.478 1.00 0.00 C ATOM 800 CG LEU A 50 -1.450 -2.322 -4.036 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.240 -2.483 -4.943 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.014 -2.158 -2.587 1.00 0.00 C ATOM 0 H LEU A 50 -4.681 -1.603 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.536 -1.330 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.503 -1.231 -5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.707 -0.223 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.058 -3.224 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.352 -3.337 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.573 -2.647 -5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.370 -1.581 -4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.411 -3.016 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.424 -1.247 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.894 -2.093 -1.947 1.00 0.00 H new ATOM 814 N PHE A 51 -3.782 1.128 -2.495 1.00 0.00 N ATOM 815 CA PHE A 51 -4.074 2.542 -2.290 1.00 0.00 C ATOM 816 C PHE A 51 -3.054 3.177 -1.349 1.00 0.00 C ATOM 817 O PHE A 51 -2.843 2.703 -0.233 1.00 0.00 O ATOM 818 CB PHE A 51 -5.484 2.716 -1.723 1.00 0.00 C ATOM 819 CG PHE A 51 -6.568 2.295 -2.674 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.848 3.048 -3.803 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.308 1.148 -2.438 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.845 2.664 -4.680 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.306 0.758 -3.312 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.575 1.518 -4.434 1.00 0.00 C ATOM 0 H PHE A 51 -3.423 0.648 -1.670 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.013 3.044 -3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.572 2.136 -0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.633 3.762 -1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.281 3.946 -4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.103 0.552 -1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.053 3.260 -5.557 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.874 -0.140 -3.118 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.355 1.216 -5.117 1.00 0.00 H new ATOM 834 N TYR A 52 -2.423 4.252 -1.809 1.00 0.00 N ATOM 835 CA TYR A 52 -1.423 4.951 -1.011 1.00 0.00 C ATOM 836 C TYR A 52 -1.781 6.426 -0.860 1.00 0.00 C ATOM 837 O TYR A 52 -2.626 6.950 -1.587 1.00 0.00 O ATOM 838 CB TYR A 52 -0.041 4.813 -1.653 1.00 0.00 C ATOM 839 CG TYR A 52 -0.036 5.073 -3.142 1.00 0.00 C ATOM 840 CD1 TYR A 52 0.168 6.353 -3.643 1.00 0.00 C ATOM 841 CD2 TYR A 52 -0.236 4.040 -4.049 1.00 0.00 C ATOM 842 CE1 TYR A 52 0.172 6.596 -5.003 1.00 0.00 C ATOM 843 CE2 TYR A 52 -0.232 4.273 -5.410 1.00 0.00 C ATOM 844 CZ TYR A 52 -0.027 5.553 -5.882 1.00 0.00 C ATOM 845 OH TYR A 52 -0.024 5.790 -7.238 1.00 0.00 O ATOM 0 H TYR A 52 -2.586 4.658 -2.730 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.403 4.497 -0.020 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.646 5.507 -1.169 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.338 3.808 -1.467 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.326 7.172 -2.957 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.397 3.037 -3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.330 7.597 -5.375 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.388 3.458 -6.101 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.177 4.949 -7.717 1.00 0.00 H new ATOM 855 N TYR A 53 -1.131 7.091 0.089 1.00 0.00 N ATOM 856 CA TYR A 53 -1.380 8.506 0.338 1.00 0.00 C ATOM 857 C TYR A 53 -0.080 9.244 0.640 1.00 0.00 C ATOM 858 O TYR A 53 0.994 8.642 0.679 1.00 0.00 O ATOM 859 CB TYR A 53 -2.358 8.676 1.502 1.00 0.00 C ATOM 860 CG TYR A 53 -3.475 7.657 1.508 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.210 6.307 1.699 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.797 8.045 1.322 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.228 5.373 1.704 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.821 7.118 1.327 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.531 5.783 1.518 1.00 0.00 C ATOM 866 OH TYR A 53 -6.548 4.856 1.524 1.00 0.00 O ATOM 0 H TYR A 53 -0.428 6.673 0.698 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.819 8.935 -0.563 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.808 8.606 2.441 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.790 9.676 1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.191 5.982 1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.027 9.089 1.171 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.004 4.327 1.853 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.843 7.437 1.182 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.405 5.309 1.381 1.00 0.00 H new ATOM 876 N ARG A 54 -0.185 10.551 0.854 1.00 0.00 N ATOM 877 CA ARG A 54 0.982 11.373 1.153 1.00 0.00 C ATOM 878 C ARG A 54 1.711 10.854 2.389 1.00 0.00 C ATOM 879 O ARG A 54 2.935 10.719 2.390 1.00 0.00 O ATOM 880 CB ARG A 54 0.566 12.829 1.367 1.00 0.00 C ATOM 881 CG ARG A 54 0.346 13.596 0.073 1.00 0.00 C ATOM 882 CD ARG A 54 0.486 15.096 0.284 1.00 0.00 C ATOM 883 NE ARG A 54 0.467 15.830 -0.979 1.00 0.00 N ATOM 884 CZ ARG A 54 0.240 17.135 -1.066 1.00 0.00 C ATOM 885 NH1 ARG A 54 0.013 17.847 0.029 1.00 0.00 N ATOM 886 NH2 ARG A 54 0.239 17.732 -2.251 1.00 0.00 N ATOM 0 H ARG A 54 -1.066 11.064 0.826 1.00 0.00 H new ATOM 0 HA ARG A 54 1.661 11.318 0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.352 12.853 1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.333 13.335 1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.066 13.264 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.646 13.374 -0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.325 15.450 0.921 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.418 15.303 0.810 1.00 0.00 H new ATOM 0 HE ARG A 54 0.637 15.312 -1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.012 17.392 0.942 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.161 18.850 -0.042 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.413 17.188 -3.096 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.064 18.735 -2.317 1.00 0.00 H new ATOM 900 N ASP A 55 0.950 10.565 3.439 1.00 0.00 N ATOM 901 CA ASP A 55 1.523 10.060 4.682 1.00 0.00 C ATOM 902 C ASP A 55 0.520 9.184 5.426 1.00 0.00 C ATOM 903 O ASP A 55 -0.603 8.982 4.965 1.00 0.00 O ATOM 904 CB ASP A 55 1.965 11.221 5.573 1.00 0.00 C ATOM 905 CG ASP A 55 2.780 12.253 4.818 1.00 0.00 C ATOM 906 OD1 ASP A 55 2.174 13.169 4.225 1.00 0.00 O ATOM 907 OD2 ASP A 55 4.024 12.144 4.820 1.00 0.00 O ATOM 0 H ASP A 55 -0.064 10.672 3.455 1.00 0.00 H new ATOM 0 HA ASP A 55 2.393 9.453 4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.086 11.700 6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.555 10.833 6.404 1.00 0.00 H new ATOM 912 N GLU A 56 0.934 8.667 6.579 1.00 0.00 N ATOM 913 CA GLU A 56 0.071 7.812 7.385 1.00 0.00 C ATOM 914 C GLU A 56 -1.258 8.502 7.679 1.00 0.00 C ATOM 915 O GLU A 56 -2.235 7.856 8.059 1.00 0.00 O ATOM 916 CB GLU A 56 0.766 7.440 8.696 1.00 0.00 C ATOM 917 CG GLU A 56 0.912 8.605 9.660 1.00 0.00 C ATOM 918 CD GLU A 56 2.045 9.539 9.280 1.00 0.00 C ATOM 919 OE1 GLU A 56 3.211 9.092 9.287 1.00 0.00 O ATOM 920 OE2 GLU A 56 1.764 10.717 8.973 1.00 0.00 O ATOM 0 H GLU A 56 1.861 8.825 6.975 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.129 6.903 6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.202 6.645 9.183 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.754 7.039 8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.022 9.166 9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.085 8.220 10.665 1.00 0.00 H new ATOM 927 N LYS A 57 -1.286 9.818 7.502 1.00 0.00 N ATOM 928 CA LYS A 57 -2.493 10.598 7.747 1.00 0.00 C ATOM 929 C LYS A 57 -3.658 10.075 6.912 1.00 0.00 C ATOM 930 O LYS A 57 -4.820 10.250 7.275 1.00 0.00 O ATOM 931 CB LYS A 57 -2.245 12.074 7.428 1.00 0.00 C ATOM 932 CG LYS A 57 -1.053 12.663 8.162 1.00 0.00 C ATOM 933 CD LYS A 57 -1.432 13.126 9.559 1.00 0.00 C ATOM 934 CE LYS A 57 -0.213 13.219 10.465 1.00 0.00 C ATOM 935 NZ LYS A 57 0.641 14.391 10.126 1.00 0.00 N ATOM 0 H LYS A 57 -0.486 10.368 7.189 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.751 10.499 8.801 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.091 12.184 6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.137 12.647 7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.260 11.918 8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.654 13.504 7.595 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.919 14.099 9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.155 12.433 9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.537 13.294 11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.374 12.305 10.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.461 14.420 10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.971 14.307 9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.088 15.266 10.232 1.00 0.00 H new ATOM 949 N GLU A 58 -3.336 9.432 5.794 1.00 0.00 N ATOM 950 CA GLU A 58 -4.357 8.883 4.909 1.00 0.00 C ATOM 951 C GLU A 58 -5.278 9.985 4.392 1.00 0.00 C ATOM 952 O GLU A 58 -6.491 9.799 4.297 1.00 0.00 O ATOM 953 CB GLU A 58 -5.177 7.817 5.638 1.00 0.00 C ATOM 954 CG GLU A 58 -4.601 6.417 5.515 1.00 0.00 C ATOM 955 CD GLU A 58 -5.173 5.459 6.543 1.00 0.00 C ATOM 956 OE1 GLU A 58 -5.696 5.935 7.572 1.00 0.00 O ATOM 957 OE2 GLU A 58 -5.097 4.233 6.317 1.00 0.00 O ATOM 0 H GLU A 58 -2.378 9.279 5.480 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.855 8.424 4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.245 8.081 6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.193 7.819 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.801 6.033 4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.518 6.462 5.629 1.00 0.00 H new ATOM 964 N GLU A 59 -4.692 11.131 4.060 1.00 0.00 N ATOM 965 CA GLU A 59 -5.461 12.262 3.555 1.00 0.00 C ATOM 966 C GLU A 59 -5.472 12.274 2.029 1.00 0.00 C ATOM 967 O GLU A 59 -4.523 12.733 1.394 1.00 0.00 O ATOM 968 CB GLU A 59 -4.882 13.577 4.082 1.00 0.00 C ATOM 969 CG GLU A 59 -4.933 13.701 5.596 1.00 0.00 C ATOM 970 CD GLU A 59 -4.495 15.069 6.084 1.00 0.00 C ATOM 971 OE1 GLU A 59 -5.067 16.076 5.616 1.00 0.00 O ATOM 972 OE2 GLU A 59 -3.581 15.132 6.932 1.00 0.00 O ATOM 0 H GLU A 59 -3.689 11.300 4.132 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.487 12.158 3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.847 13.666 3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.430 14.409 3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.949 13.505 5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.294 12.939 6.041 1.00 0.00 H new ATOM 979 N GLY A 60 -6.554 11.765 1.447 1.00 0.00 N ATOM 980 CA GLY A 60 -6.669 11.726 0.001 1.00 0.00 C ATOM 981 C GLY A 60 -5.639 10.816 -0.638 1.00 0.00 C ATOM 982 O GLY A 60 -4.461 10.853 -0.281 1.00 0.00 O ATOM 0 H GLY A 60 -7.352 11.379 1.951 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.668 11.387 -0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.555 12.734 -0.397 1.00 0.00 H new ATOM 986 N ILE A 61 -6.083 9.995 -1.584 1.00 0.00 N ATOM 987 CA ILE A 61 -5.191 9.071 -2.273 1.00 0.00 C ATOM 988 C ILE A 61 -4.537 9.735 -3.480 1.00 0.00 C ATOM 989 O ILE A 61 -5.221 10.223 -4.381 1.00 0.00 O ATOM 990 CB ILE A 61 -5.939 7.808 -2.739 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.489 7.041 -1.535 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.019 6.921 -3.564 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.399 5.894 -1.913 1.00 0.00 C ATOM 0 H ILE A 61 -7.055 9.951 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.421 8.784 -1.557 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.777 8.111 -3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.655 6.654 -0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.036 7.732 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.562 6.033 -3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.672 7.471 -4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.162 6.623 -2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.751 5.396 -1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.253 6.276 -2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.850 5.182 -2.529 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.209 9.749 -3.493 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.461 10.352 -4.591 1.00 0.00 C ATOM 1007 C LEU A 62 -2.619 9.536 -5.870 1.00 0.00 C ATOM 1008 O LEU A 62 -2.664 10.087 -6.969 1.00 0.00 O ATOM 1009 CB LEU A 62 -0.980 10.464 -4.224 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.669 10.644 -2.738 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.814 10.910 -2.531 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.502 11.773 -2.151 1.00 0.00 C ATOM 0 H LEU A 62 -2.628 9.350 -2.756 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.862 11.350 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.470 9.567 -4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.554 11.307 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.928 9.721 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.016 11.035 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.391 10.068 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.099 11.817 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.267 11.886 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.276 12.702 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.561 11.541 -2.265 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.704 8.218 -5.718 1.00 0.00 N ATOM 1025 CA GLY A 63 -2.859 7.347 -6.869 1.00 0.00 C ATOM 1026 C GLY A 63 -3.223 5.929 -6.479 1.00 0.00 C ATOM 1027 O GLY A 63 -2.722 5.403 -5.484 1.00 0.00 O ATOM 0 H GLY A 63 -2.668 7.738 -4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.632 7.750 -7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.931 7.336 -7.440 1.00 0.00 H new ATOM 1031 N SER A 64 -4.099 5.307 -7.262 1.00 0.00 N ATOM 1032 CA SER A 64 -4.534 3.942 -6.989 1.00 0.00 C ATOM 1033 C SER A 64 -3.879 2.960 -7.955 1.00 0.00 C ATOM 1034 O SER A 64 -3.565 3.308 -9.094 1.00 0.00 O ATOM 1035 CB SER A 64 -6.057 3.840 -7.094 1.00 0.00 C ATOM 1036 OG SER A 64 -6.529 4.454 -8.281 1.00 0.00 O ATOM 0 H SER A 64 -4.521 5.727 -8.090 1.00 0.00 H new ATOM 0 HA SER A 64 -4.229 3.685 -5.975 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.356 2.792 -7.079 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.517 4.315 -6.227 1.00 0.00 H new ATOM 0 HG SER A 64 -7.505 4.374 -8.325 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.676 1.731 -7.492 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.059 0.698 -8.314 1.00 0.00 C ATOM 1044 C ILE A 65 -3.888 -0.583 -8.301 1.00 0.00 C ATOM 1045 O ILE A 65 -4.142 -1.160 -7.242 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.630 0.376 -7.837 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.665 1.484 -8.264 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.178 -0.969 -8.386 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.703 1.372 -7.628 1.00 0.00 C ATOM 0 H ILE A 65 -3.930 1.427 -6.552 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.014 1.089 -9.330 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.630 0.320 -6.748 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.556 1.462 -9.348 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.098 2.451 -8.007 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.167 -1.182 -8.040 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.853 -1.750 -8.036 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.190 -0.940 -9.476 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.334 2.190 -7.976 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.606 1.425 -6.544 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.156 0.420 -7.905 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.305 -1.023 -9.482 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.103 -2.237 -9.608 1.00 0.00 C ATOM 1063 C LEU A 66 -4.217 -3.478 -9.578 1.00 0.00 C ATOM 1064 O LEU A 66 -3.439 -3.720 -10.502 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.914 -2.206 -10.905 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.315 -1.603 -10.807 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.207 -2.465 -9.927 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.247 -0.181 -10.270 1.00 0.00 C ATOM 0 H LEU A 66 -4.104 -0.557 -10.367 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.787 -2.282 -8.760 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.350 -1.644 -11.649 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.005 -3.226 -11.277 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.747 -1.572 -11.807 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.200 -2.020 -9.869 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.282 -3.465 -10.354 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.779 -2.529 -8.927 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.253 0.233 -10.207 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.795 -0.188 -9.278 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.644 0.432 -10.940 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.341 -4.262 -8.513 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.552 -5.480 -8.363 1.00 0.00 C ATOM 1082 C LEU A 67 -3.979 -6.533 -9.381 1.00 0.00 C ATOM 1083 O LEU A 67 -3.153 -7.194 -10.010 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.699 -6.035 -6.945 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.680 -5.535 -5.920 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.948 -6.152 -4.556 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.264 -5.848 -6.380 1.00 0.00 C ATOM 0 H LEU A 67 -4.980 -4.076 -7.740 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.506 -5.231 -8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.698 -5.792 -6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.633 -7.122 -6.993 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.782 -4.453 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.213 -5.785 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.949 -5.877 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.875 -7.237 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.552 -5.485 -5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.149 -6.926 -6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.075 -5.358 -7.335 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.300 -6.693 -9.548 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.866 -7.663 -10.490 1.00 0.00 C ATOM 1101 C PRO A 68 -5.212 -7.585 -11.866 1.00 0.00 C ATOM 1102 O PRO A 68 -5.225 -8.553 -12.625 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.340 -7.256 -10.575 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.621 -6.579 -9.278 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.342 -5.940 -8.831 1.00 0.00 C ATOM 0 HA PRO A 68 -5.711 -8.690 -10.160 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.518 -6.588 -11.417 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.983 -8.125 -10.716 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.405 -5.831 -9.395 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.973 -7.296 -8.537 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.315 -4.880 -9.085 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.215 -6.013 -7.751 1.00 0.00 H new ATOM 1113 N SER A 69 -4.641 -6.427 -12.179 1.00 0.00 N ATOM 1114 CA SER A 69 -3.984 -6.222 -13.465 1.00 0.00 C ATOM 1115 C SER A 69 -2.495 -6.539 -13.371 1.00 0.00 C ATOM 1116 O SER A 69 -1.859 -6.890 -14.366 1.00 0.00 O ATOM 1117 CB SER A 69 -4.181 -4.780 -13.938 1.00 0.00 C ATOM 1118 OG SER A 69 -4.049 -4.683 -15.346 1.00 0.00 O ATOM 0 H SER A 69 -4.620 -5.616 -11.560 1.00 0.00 H new ATOM 0 HA SER A 69 -4.437 -6.900 -14.189 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.167 -4.427 -13.637 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.449 -4.132 -13.455 1.00 0.00 H new ATOM 0 HG SER A 69 -3.237 -4.180 -15.565 1.00 0.00 H new ATOM 1124 N PHE A 70 -1.944 -6.415 -12.168 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.529 -6.687 -11.943 1.00 0.00 C ATOM 1126 C PHE A 70 -0.287 -8.181 -11.751 1.00 0.00 C ATOM 1127 O PHE A 70 -1.215 -8.939 -11.472 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.029 -5.916 -10.720 1.00 0.00 C ATOM 1129 CG PHE A 70 0.507 -4.552 -11.049 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.732 -4.408 -11.679 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.215 -3.414 -10.728 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.227 -3.154 -11.982 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.275 -2.157 -11.029 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.497 -2.027 -11.658 1.00 0.00 C ATOM 0 H PHE A 70 -2.456 -6.128 -11.334 1.00 0.00 H new ATOM 0 HA PHE A 70 0.024 -6.358 -12.823 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.846 -5.814 -10.006 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.753 -6.496 -10.229 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.307 -5.285 -11.936 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.172 -3.510 -10.237 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.184 -3.055 -12.472 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.297 -1.278 -10.772 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.881 -1.046 -11.896 1.00 0.00 H new ATOM 1144 N GLN A 71 0.966 -8.596 -11.904 1.00 0.00 N ATOM 1145 CA GLN A 71 1.331 -9.999 -11.749 1.00 0.00 C ATOM 1146 C GLN A 71 2.467 -10.159 -10.744 1.00 0.00 C ATOM 1147 O GLN A 71 3.607 -9.782 -11.017 1.00 0.00 O ATOM 1148 CB GLN A 71 1.740 -10.593 -13.098 1.00 0.00 C ATOM 1149 CG GLN A 71 2.740 -11.733 -12.982 1.00 0.00 C ATOM 1150 CD GLN A 71 2.784 -12.599 -14.225 1.00 0.00 C ATOM 1151 OE1 GLN A 71 3.111 -12.126 -15.315 1.00 0.00 O ATOM 1152 NE2 GLN A 71 2.454 -13.876 -14.069 1.00 0.00 N ATOM 0 H GLN A 71 1.746 -7.981 -12.135 1.00 0.00 H new ATOM 0 HA GLN A 71 0.460 -10.535 -11.373 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.849 -10.953 -13.612 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.169 -9.806 -13.717 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.732 -11.323 -12.794 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.482 -12.351 -12.122 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.189 -14.226 -13.148 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.465 -14.507 -14.870 1.00 0.00 H new ATOM 1161 N ILE A 72 2.148 -10.718 -9.582 1.00 0.00 N ATOM 1162 CA ILE A 72 3.142 -10.928 -8.537 1.00 0.00 C ATOM 1163 C ILE A 72 3.976 -12.174 -8.814 1.00 0.00 C ATOM 1164 O ILE A 72 3.452 -13.286 -8.859 1.00 0.00 O ATOM 1165 CB ILE A 72 2.483 -11.062 -7.151 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.239 -10.175 -7.067 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.474 -10.698 -6.056 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.489 -8.741 -7.477 1.00 0.00 C ATOM 0 H ILE A 72 1.209 -11.034 -9.340 1.00 0.00 H new ATOM 0 HA ILE A 72 3.791 -10.052 -8.538 1.00 0.00 H new ATOM 0 HB ILE A 72 2.178 -12.099 -7.008 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.460 -10.595 -7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.860 -10.191 -6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.994 -10.798 -5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.334 -11.366 -6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.806 -9.669 -6.193 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.563 -8.172 -7.392 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.245 -8.303 -6.826 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.839 -8.713 -8.509 1.00 0.00 H new ATOM 1180 N ALA A 73 5.278 -11.980 -8.996 1.00 0.00 N ATOM 1181 CA ALA A 73 6.185 -13.088 -9.265 1.00 0.00 C ATOM 1182 C ALA A 73 7.561 -12.831 -8.658 1.00 0.00 C ATOM 1183 O ALA A 73 8.078 -11.715 -8.717 1.00 0.00 O ATOM 1184 CB ALA A 73 6.303 -13.323 -10.763 1.00 0.00 C ATOM 0 H ALA A 73 5.728 -11.065 -8.962 1.00 0.00 H new ATOM 0 HA ALA A 73 5.772 -13.983 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.984 -14.154 -10.948 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.321 -13.560 -11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.689 -12.424 -11.243 1.00 0.00 H new ATOM 1190 N LEU A 74 8.148 -13.870 -8.074 1.00 0.00 N ATOM 1191 CA LEU A 74 9.464 -13.756 -7.455 1.00 0.00 C ATOM 1192 C LEU A 74 10.503 -13.285 -8.467 1.00 0.00 C ATOM 1193 O LEU A 74 10.526 -13.746 -9.609 1.00 0.00 O ATOM 1194 CB LEU A 74 9.888 -15.100 -6.861 1.00 0.00 C ATOM 1195 CG LEU A 74 9.219 -15.492 -5.542 1.00 0.00 C ATOM 1196 CD1 LEU A 74 9.923 -14.828 -4.369 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.744 -15.120 -5.561 1.00 0.00 C ATOM 0 H LEU A 74 7.734 -14.800 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 74 9.400 -13.017 -6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.683 -15.880 -7.595 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.967 -15.082 -6.707 1.00 0.00 H new ATOM 0 HG LEU A 74 9.299 -16.573 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.434 -15.118 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.966 -15.144 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.875 -13.745 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.284 -15.406 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.642 -14.044 -5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.247 -15.643 -6.378 1.00 0.00 H new ATOM 1209 N LEU A 75 11.362 -12.365 -8.041 1.00 0.00 N ATOM 1210 CA LEU A 75 12.405 -11.832 -8.910 1.00 0.00 C ATOM 1211 C LEU A 75 13.175 -12.959 -9.592 1.00 0.00 C ATOM 1212 O LEU A 75 13.216 -14.086 -9.096 1.00 0.00 O ATOM 1213 CB LEU A 75 13.368 -10.956 -8.105 1.00 0.00 C ATOM 1214 CG LEU A 75 12.741 -9.773 -7.367 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.803 -8.996 -6.605 1.00 0.00 C ATOM 1216 CD2 LEU A 75 12.010 -8.863 -8.343 1.00 0.00 C ATOM 0 H LEU A 75 11.357 -11.973 -7.099 1.00 0.00 H new ATOM 0 HA LEU A 75 11.928 -11.226 -9.680 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.876 -11.586 -7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.131 -10.573 -8.782 1.00 0.00 H new ATOM 0 HG LEU A 75 12.017 -10.159 -6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.338 -8.158 -6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.283 -9.652 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.551 -8.621 -7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.570 -8.026 -7.800 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.714 -8.485 -9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.222 -9.425 -8.844 1.00 0.00 H new ATOM 1377 N TYR A 85 14.127 -10.661 -0.055 1.00 0.00 N ATOM 1378 CA TYR A 85 12.694 -10.640 0.213 1.00 0.00 C ATOM 1379 C TYR A 85 12.002 -9.556 -0.609 1.00 0.00 C ATOM 1380 O TYR A 85 11.136 -8.840 -0.108 1.00 0.00 O ATOM 1381 CB TYR A 85 12.436 -10.408 1.703 1.00 0.00 C ATOM 1382 CG TYR A 85 13.302 -11.256 2.606 1.00 0.00 C ATOM 1383 CD1 TYR A 85 12.967 -12.576 2.884 1.00 0.00 C ATOM 1384 CD2 TYR A 85 14.456 -10.739 3.182 1.00 0.00 C ATOM 1385 CE1 TYR A 85 13.755 -13.354 3.710 1.00 0.00 C ATOM 1386 CE2 TYR A 85 15.251 -11.510 4.007 1.00 0.00 C ATOM 1387 CZ TYR A 85 14.896 -12.817 4.269 1.00 0.00 C ATOM 1388 OH TYR A 85 15.684 -13.590 5.090 1.00 0.00 O ATOM 0 HA TYR A 85 12.282 -11.607 -0.074 1.00 0.00 H new ATOM 0 HB2 TYR A 85 12.606 -9.356 1.933 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.388 -10.616 1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 85 12.075 -13.001 2.447 1.00 0.00 H new ATOM 0 HD2 TYR A 85 14.736 -9.716 2.981 1.00 0.00 H new ATOM 0 HE1 TYR A 85 13.479 -14.377 3.917 1.00 0.00 H new ATOM 0 HE2 TYR A 85 16.146 -11.092 4.445 1.00 0.00 H new ATOM 0 HH TYR A 85 16.450 -13.063 5.400 1.00 0.00 H new ATOM 1398 N ALA A 86 12.392 -9.443 -1.874 1.00 0.00 N ATOM 1399 CA ALA A 86 11.809 -8.450 -2.768 1.00 0.00 C ATOM 1400 C ALA A 86 11.129 -9.116 -3.959 1.00 0.00 C ATOM 1401 O ALA A 86 11.587 -10.147 -4.452 1.00 0.00 O ATOM 1402 CB ALA A 86 12.877 -7.476 -3.243 1.00 0.00 C ATOM 0 H ALA A 86 13.110 -10.027 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 86 11.051 -7.898 -2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.428 -6.740 -3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.314 -6.968 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.655 -8.021 -3.776 1.00 0.00 H new ATOM 1408 N PHE A 87 10.033 -8.520 -4.418 1.00 0.00 N ATOM 1409 CA PHE A 87 9.288 -9.057 -5.551 1.00 0.00 C ATOM 1410 C PHE A 87 9.043 -7.977 -6.601 1.00 0.00 C ATOM 1411 O PHE A 87 9.462 -6.831 -6.439 1.00 0.00 O ATOM 1412 CB PHE A 87 7.954 -9.640 -5.081 1.00 0.00 C ATOM 1413 CG PHE A 87 7.315 -8.857 -3.970 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.799 -8.946 -2.675 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.231 -8.031 -4.220 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.215 -8.226 -1.650 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.642 -7.309 -3.199 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.134 -7.408 -1.912 1.00 0.00 C ATOM 0 H PHE A 87 9.641 -7.665 -4.023 1.00 0.00 H new ATOM 0 HA PHE A 87 9.884 -9.850 -6.003 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.267 -9.682 -5.926 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.112 -10.666 -4.747 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.643 -9.586 -2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.842 -7.950 -5.224 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.604 -8.303 -0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.798 -6.668 -3.407 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.674 -6.847 -1.112 1.00 0.00 H new ATOM 1428 N LYS A 88 8.362 -8.352 -7.679 1.00 0.00 N ATOM 1429 CA LYS A 88 8.060 -7.418 -8.756 1.00 0.00 C ATOM 1430 C LYS A 88 6.690 -7.709 -9.360 1.00 0.00 C ATOM 1431 O LYS A 88 6.259 -8.860 -9.419 1.00 0.00 O ATOM 1432 CB LYS A 88 9.135 -7.496 -9.843 1.00 0.00 C ATOM 1433 CG LYS A 88 9.173 -8.830 -10.566 1.00 0.00 C ATOM 1434 CD LYS A 88 9.985 -8.747 -11.848 1.00 0.00 C ATOM 1435 CE LYS A 88 9.526 -9.780 -12.867 1.00 0.00 C ATOM 1436 NZ LYS A 88 10.545 -10.000 -13.930 1.00 0.00 N ATOM 0 H LYS A 88 8.009 -9.297 -7.829 1.00 0.00 H new ATOM 0 HA LYS A 88 8.047 -6.412 -8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.962 -6.703 -10.570 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.110 -7.309 -9.392 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.602 -9.588 -9.911 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.157 -9.148 -10.798 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.893 -7.748 -12.274 1.00 0.00 H new ATOM 0 HD3 LYS A 88 11.040 -8.901 -11.622 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.320 -10.723 -12.361 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.592 -9.451 -13.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.195 -10.710 -14.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.724 -9.106 -14.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.429 -10.338 -13.499 1.00 0.00 H new ATOM 1450 N ALA A 89 6.010 -6.658 -9.808 1.00 0.00 N ATOM 1451 CA ALA A 89 4.690 -6.802 -10.410 1.00 0.00 C ATOM 1452 C ALA A 89 4.705 -6.372 -11.873 1.00 0.00 C ATOM 1453 O ALA A 89 5.168 -5.281 -12.204 1.00 0.00 O ATOM 1454 CB ALA A 89 3.663 -5.995 -9.630 1.00 0.00 C ATOM 0 H ALA A 89 6.352 -5.698 -9.765 1.00 0.00 H new ATOM 0 HA ALA A 89 4.412 -7.855 -10.371 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.682 -6.112 -10.091 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.625 -6.352 -8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.945 -4.942 -9.639 1.00 0.00 H new ATOM 1460 N ALA A 90 4.195 -7.236 -12.744 1.00 0.00 N ATOM 1461 CA ALA A 90 4.148 -6.944 -14.172 1.00 0.00 C ATOM 1462 C ALA A 90 2.778 -6.412 -14.579 1.00 0.00 C ATOM 1463 O ALA A 90 1.750 -6.868 -14.077 1.00 0.00 O ATOM 1464 CB ALA A 90 4.493 -8.188 -14.976 1.00 0.00 C ATOM 0 H ALA A 90 3.808 -8.144 -12.486 1.00 0.00 H new ATOM 0 HA ALA A 90 4.886 -6.171 -14.384 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.454 -7.956 -16.040 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.496 -8.524 -14.714 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.776 -8.977 -14.750 1.00 0.00 H new ATOM 1470 N HIS A 91 2.771 -5.444 -15.489 1.00 0.00 N ATOM 1471 CA HIS A 91 1.527 -4.849 -15.963 1.00 0.00 C ATOM 1472 C HIS A 91 1.544 -4.689 -17.481 1.00 0.00 C ATOM 1473 O HIS A 91 2.558 -4.330 -18.080 1.00 0.00 O ATOM 1474 CB HIS A 91 1.300 -3.491 -15.298 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.135 -3.063 -15.284 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -0.749 -2.453 -16.357 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.079 -3.163 -14.319 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.008 -2.193 -16.052 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.234 -2.615 -14.821 1.00 0.00 N ATOM 0 H HIS A 91 3.613 -5.055 -15.913 1.00 0.00 H new ATOM 0 HA HIS A 91 0.709 -5.518 -15.695 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.668 -3.532 -14.273 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.890 -2.737 -15.819 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.948 -3.594 -13.337 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.730 -1.717 -16.699 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.122 -2.545 -14.324 1.00 0.00 H new ATOM 1488 N PRO A 92 0.396 -4.962 -18.119 1.00 0.00 N ATOM 1489 CA PRO A 92 0.255 -4.856 -19.574 1.00 0.00 C ATOM 1490 C PRO A 92 0.181 -3.407 -20.045 1.00 0.00 C ATOM 1491 O PRO A 92 0.884 -3.010 -20.973 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.066 -5.578 -19.855 1.00 0.00 C ATOM 1493 CG PRO A 92 -1.854 -5.429 -18.600 1.00 0.00 C ATOM 1494 CD PRO A 92 -0.852 -5.396 -17.468 1.00 0.00 C ATOM 0 HA PRO A 92 1.110 -5.282 -20.099 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.586 -5.135 -20.704 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.900 -6.628 -20.096 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.447 -4.515 -18.620 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.551 -6.258 -18.478 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.157 -4.703 -16.684 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.741 -6.375 -17.003 1.00 0.00 H new ATOM 1502 N ASN A 93 -0.675 -2.623 -19.398 1.00 0.00 N ATOM 1503 CA ASN A 93 -0.840 -1.217 -19.751 1.00 0.00 C ATOM 1504 C ASN A 93 0.120 -0.339 -18.954 1.00 0.00 C ATOM 1505 O ASN A 93 0.012 0.886 -18.967 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.283 -0.773 -19.500 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.173 -0.991 -20.709 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -3.127 -0.227 -21.673 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -3.989 -2.037 -20.661 1.00 0.00 N ATOM 0 H ASN A 93 -1.265 -2.937 -18.627 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.611 -1.105 -20.811 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.687 -1.324 -18.651 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.294 0.283 -19.230 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.612 -2.234 -21.444 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.993 -2.643 -19.841 1.00 0.00 H new ATOM 1516 N MET A 94 1.059 -0.976 -18.262 1.00 0.00 N ATOM 1517 CA MET A 94 2.039 -0.253 -17.460 1.00 0.00 C ATOM 1518 C MET A 94 3.366 -1.004 -17.417 1.00 0.00 C ATOM 1519 O MET A 94 3.527 -2.037 -18.066 1.00 0.00 O ATOM 1520 CB MET A 94 1.513 -0.042 -16.040 1.00 0.00 C ATOM 1521 CG MET A 94 0.679 1.220 -15.882 1.00 0.00 C ATOM 1522 SD MET A 94 0.385 1.646 -14.155 1.00 0.00 S ATOM 1523 CE MET A 94 -0.796 0.381 -13.691 1.00 0.00 C ATOM 0 H MET A 94 1.162 -1.991 -18.241 1.00 0.00 H new ATOM 0 HA MET A 94 2.206 0.719 -17.925 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.911 -0.904 -15.753 1.00 0.00 H new ATOM 0 HB3 MET A 94 2.357 0.001 -15.351 1.00 0.00 H new ATOM 0 HG2 MET A 94 1.185 2.050 -16.376 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.278 1.084 -16.387 1.00 0.00 H new ATOM 0 HE1 MET A 94 -1.350 0.706 -12.810 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.490 0.211 -14.514 1.00 0.00 H new ATOM 0 HE3 MET A 94 -0.267 -0.545 -13.466 1.00 0.00 H new ATOM 1533 N ARG A 95 4.314 -0.478 -16.648 1.00 0.00 N ATOM 1534 CA ARG A 95 5.627 -1.098 -16.522 1.00 0.00 C ATOM 1535 C ARG A 95 5.667 -2.049 -15.329 1.00 0.00 C ATOM 1536 O ARG A 95 4.660 -2.253 -14.650 1.00 0.00 O ATOM 1537 CB ARG A 95 6.709 -0.026 -16.369 1.00 0.00 C ATOM 1538 CG ARG A 95 6.527 0.852 -15.141 1.00 0.00 C ATOM 1539 CD ARG A 95 7.648 1.870 -15.014 1.00 0.00 C ATOM 1540 NE ARG A 95 7.344 3.110 -15.723 1.00 0.00 N ATOM 1541 CZ ARG A 95 8.265 4.002 -16.072 1.00 0.00 C ATOM 1542 NH1 ARG A 95 9.541 3.791 -15.779 1.00 0.00 N ATOM 1543 NH2 ARG A 95 7.911 5.107 -16.716 1.00 0.00 N ATOM 0 H ARG A 95 4.197 0.376 -16.103 1.00 0.00 H new ATOM 0 HA ARG A 95 5.818 -1.671 -17.429 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.684 -0.511 -16.318 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.713 0.604 -17.258 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.569 1.369 -15.201 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.497 0.228 -14.248 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.822 2.088 -13.960 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.571 1.444 -15.408 1.00 0.00 H new ATOM 0 HE ARG A 95 6.371 3.302 -15.963 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.817 2.943 -15.285 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.246 4.477 -16.048 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.931 5.273 -16.944 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.619 5.791 -16.983 1.00 0.00 H new ATOM 1557 N THR A 96 6.836 -2.630 -15.080 1.00 0.00 N ATOM 1558 CA THR A 96 7.007 -3.561 -13.972 1.00 0.00 C ATOM 1559 C THR A 96 7.409 -2.830 -12.697 1.00 0.00 C ATOM 1560 O THR A 96 8.377 -2.069 -12.685 1.00 0.00 O ATOM 1561 CB THR A 96 8.069 -4.629 -14.294 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.759 -5.269 -15.537 1.00 0.00 O ATOM 1563 CG2 THR A 96 8.143 -5.670 -13.187 1.00 0.00 C ATOM 0 H THR A 96 7.679 -2.472 -15.631 1.00 0.00 H new ATOM 0 HA THR A 96 6.045 -4.050 -13.819 1.00 0.00 H new ATOM 0 HB THR A 96 9.037 -4.135 -14.372 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.440 -5.945 -15.735 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.900 -6.414 -13.437 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.408 -5.184 -12.248 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.175 -6.159 -13.082 1.00 0.00 H new ATOM 1571 N TYR A 97 6.661 -3.065 -11.625 1.00 0.00 N ATOM 1572 CA TYR A 97 6.939 -2.427 -10.343 1.00 0.00 C ATOM 1573 C TYR A 97 7.824 -3.314 -9.473 1.00 0.00 C ATOM 1574 O TYR A 97 7.950 -4.514 -9.717 1.00 0.00 O ATOM 1575 CB TYR A 97 5.633 -2.115 -9.611 1.00 0.00 C ATOM 1576 CG TYR A 97 4.895 -0.920 -10.171 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.747 -0.749 -11.541 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.345 0.038 -9.328 1.00 0.00 C ATOM 1579 CE1 TYR A 97 4.074 0.342 -12.057 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.669 1.132 -9.835 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.537 1.279 -11.200 1.00 0.00 C ATOM 1582 OH TYR A 97 2.865 2.366 -11.709 1.00 0.00 O ATOM 0 H TYR A 97 5.857 -3.693 -11.618 1.00 0.00 H new ATOM 0 HA TYR A 97 7.470 -1.495 -10.538 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.982 -2.988 -9.658 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.850 -1.936 -8.558 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.165 -1.482 -12.215 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.447 -0.074 -8.259 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.969 0.460 -13.125 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.247 1.867 -9.166 1.00 0.00 H new ATOM 0 HH TYR A 97 2.231 2.067 -12.394 1.00 0.00 H new ATOM 1592 N TYR A 98 8.435 -2.714 -8.458 1.00 0.00 N ATOM 1593 CA TYR A 98 9.310 -3.447 -7.551 1.00 0.00 C ATOM 1594 C TYR A 98 9.012 -3.091 -6.098 1.00 0.00 C ATOM 1595 O TYR A 98 9.007 -1.918 -5.723 1.00 0.00 O ATOM 1596 CB TYR A 98 10.776 -3.149 -7.870 1.00 0.00 C ATOM 1597 CG TYR A 98 11.251 -3.765 -9.167 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.941 -3.183 -10.390 1.00 0.00 C ATOM 1599 CD2 TYR A 98 12.008 -4.930 -9.169 1.00 0.00 C ATOM 1600 CE1 TYR A 98 11.372 -3.743 -11.577 1.00 0.00 C ATOM 1601 CE2 TYR A 98 12.445 -5.496 -10.351 1.00 0.00 C ATOM 1602 CZ TYR A 98 12.124 -4.899 -11.553 1.00 0.00 C ATOM 1603 OH TYR A 98 12.556 -5.460 -12.732 1.00 0.00 O ATOM 0 H TYR A 98 8.341 -1.722 -8.242 1.00 0.00 H new ATOM 0 HA TYR A 98 9.124 -4.512 -7.690 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.916 -2.069 -7.918 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.399 -3.516 -7.054 1.00 0.00 H new ATOM 0 HD1 TYR A 98 10.353 -2.277 -10.413 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.259 -5.401 -8.230 1.00 0.00 H new ATOM 0 HE1 TYR A 98 11.121 -3.278 -12.519 1.00 0.00 H new ATOM 0 HE2 TYR A 98 13.035 -6.401 -10.334 1.00 0.00 H new ATOM 0 HH TYR A 98 13.074 -6.269 -12.539 1.00 0.00 H new ATOM 1613 N PHE A 99 8.763 -4.111 -5.284 1.00 0.00 N ATOM 1614 CA PHE A 99 8.463 -3.907 -3.872 1.00 0.00 C ATOM 1615 C PHE A 99 9.339 -4.799 -2.995 1.00 0.00 C ATOM 1616 O PHE A 99 9.541 -5.976 -3.296 1.00 0.00 O ATOM 1617 CB PHE A 99 6.986 -4.194 -3.595 1.00 0.00 C ATOM 1618 CG PHE A 99 6.052 -3.492 -4.539 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.572 -2.226 -4.246 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.654 -4.098 -5.720 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.713 -1.577 -5.112 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.796 -3.454 -6.591 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.324 -2.192 -6.286 1.00 0.00 C ATOM 0 H PHE A 99 8.763 -5.088 -5.578 1.00 0.00 H new ATOM 0 HA PHE A 99 8.675 -2.866 -3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.815 -5.269 -3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.751 -3.894 -2.574 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.873 -1.740 -3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.019 -5.085 -5.963 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.346 -0.590 -4.871 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.495 -3.937 -7.509 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.652 -1.687 -6.964 1.00 0.00 H new ATOM 1633 N CYS A 100 9.855 -4.229 -1.912 1.00 0.00 N ATOM 1634 CA CYS A 100 10.710 -4.971 -0.992 1.00 0.00 C ATOM 1635 C CYS A 100 10.344 -4.666 0.456 1.00 0.00 C ATOM 1636 O CYS A 100 9.671 -3.675 0.743 1.00 0.00 O ATOM 1637 CB CYS A 100 12.180 -4.629 -1.242 1.00 0.00 C ATOM 1638 SG CYS A 100 12.700 -3.047 -0.538 1.00 0.00 S ATOM 0 H CYS A 100 9.697 -3.256 -1.649 1.00 0.00 H new ATOM 0 HA CYS A 100 10.556 -6.035 -1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.802 -5.422 -0.826 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.360 -4.613 -2.317 1.00 0.00 H new ATOM 0 HG CYS A 100 12.767 -2.154 -1.480 1.00 0.00 H new ATOM 1644 N THR A 101 10.789 -5.525 1.368 1.00 0.00 N ATOM 1645 CA THR A 101 10.506 -5.349 2.787 1.00 0.00 C ATOM 1646 C THR A 101 11.782 -5.437 3.617 1.00 0.00 C ATOM 1647 O THR A 101 12.861 -5.701 3.087 1.00 0.00 O ATOM 1648 CB THR A 101 9.504 -6.403 3.294 1.00 0.00 C ATOM 1649 OG1 THR A 101 10.015 -7.719 3.057 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.157 -6.244 2.604 1.00 0.00 C ATOM 0 H THR A 101 11.347 -6.350 1.149 1.00 0.00 H new ATOM 0 HA THR A 101 10.069 -4.357 2.902 1.00 0.00 H new ATOM 0 HB THR A 101 9.366 -6.256 4.365 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.094 -8.197 3.909 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.465 -6.999 2.978 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.757 -5.251 2.811 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.282 -6.368 1.528 1.00 0.00 H new ATOM 1658 N ASP A 102 11.650 -5.214 4.920 1.00 0.00 N ATOM 1659 CA ASP A 102 12.793 -5.270 5.824 1.00 0.00 C ATOM 1660 C ASP A 102 13.136 -6.714 6.178 1.00 0.00 C ATOM 1661 O ASP A 102 14.308 -7.076 6.288 1.00 0.00 O ATOM 1662 CB ASP A 102 12.502 -4.475 7.098 1.00 0.00 C ATOM 1663 CG ASP A 102 12.147 -3.030 6.810 1.00 0.00 C ATOM 1664 OD1 ASP A 102 12.832 -2.405 5.974 1.00 0.00 O ATOM 1665 OD2 ASP A 102 11.182 -2.524 7.421 1.00 0.00 O ATOM 0 H ASP A 102 10.764 -4.993 5.374 1.00 0.00 H new ATOM 0 HA ASP A 102 13.649 -4.826 5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.681 -4.947 7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.374 -4.509 7.751 1.00 0.00 H new ATOM 1670 N THR A 103 12.106 -7.535 6.355 1.00 0.00 N ATOM 1671 CA THR A 103 12.298 -8.939 6.699 1.00 0.00 C ATOM 1672 C THR A 103 11.388 -9.837 5.869 1.00 0.00 C ATOM 1673 O THR A 103 10.412 -9.374 5.280 1.00 0.00 O ATOM 1674 CB THR A 103 12.028 -9.193 8.194 1.00 0.00 C ATOM 1675 OG1 THR A 103 10.682 -8.826 8.517 1.00 0.00 O ATOM 1676 CG2 THR A 103 12.997 -8.404 9.061 1.00 0.00 C ATOM 0 H THR A 103 11.130 -7.252 6.266 1.00 0.00 H new ATOM 0 HA THR A 103 13.338 -9.179 6.480 1.00 0.00 H new ATOM 0 HB THR A 103 12.172 -10.255 8.392 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.517 -8.992 9.469 1.00 0.00 H new ATOM 0 HG21 THR A 103 12.787 -8.600 10.112 1.00 0.00 H new ATOM 0 HG22 THR A 103 14.019 -8.707 8.833 1.00 0.00 H new ATOM 0 HG23 THR A 103 12.881 -7.339 8.860 1.00 0.00 H new ATOM 1684 N GLY A 104 11.714 -11.125 5.827 1.00 0.00 N ATOM 1685 CA GLY A 104 10.915 -12.068 5.067 1.00 0.00 C ATOM 1686 C GLY A 104 9.450 -12.030 5.452 1.00 0.00 C ATOM 1687 O GLY A 104 8.576 -12.306 4.630 1.00 0.00 O ATOM 0 H GLY A 104 12.517 -11.532 6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.014 -11.849 4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.302 -13.075 5.222 1.00 0.00 H new ATOM 1691 N LYS A 105 9.179 -11.688 6.707 1.00 0.00 N ATOM 1692 CA LYS A 105 7.809 -11.615 7.202 1.00 0.00 C ATOM 1693 C LYS A 105 7.043 -10.486 6.518 1.00 0.00 C ATOM 1694 O LYS A 105 6.077 -10.729 5.797 1.00 0.00 O ATOM 1695 CB LYS A 105 7.803 -11.404 8.718 1.00 0.00 C ATOM 1696 CG LYS A 105 6.435 -11.055 9.278 1.00 0.00 C ATOM 1697 CD LYS A 105 6.105 -9.587 9.071 1.00 0.00 C ATOM 1698 CE LYS A 105 5.183 -9.063 10.162 1.00 0.00 C ATOM 1699 NZ LYS A 105 5.947 -8.521 11.320 1.00 0.00 N ATOM 0 H LYS A 105 9.890 -11.457 7.400 1.00 0.00 H new ATOM 0 HA LYS A 105 7.315 -12.559 6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.165 -12.310 9.204 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.503 -10.607 8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.676 -11.671 8.796 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.406 -11.289 10.342 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.026 -9.004 9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.632 -9.453 8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.542 -8.282 9.752 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.529 -9.866 10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.284 -8.174 12.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.540 -9.272 11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.552 -7.738 11.001 1.00 0.00 H new ATOM 1713 N GLU A 106 7.484 -9.253 6.749 1.00 0.00 N ATOM 1714 CA GLU A 106 6.839 -8.089 6.154 1.00 0.00 C ATOM 1715 C GLU A 106 6.503 -8.343 4.687 1.00 0.00 C ATOM 1716 O GLU A 106 5.616 -7.704 4.123 1.00 0.00 O ATOM 1717 CB GLU A 106 7.743 -6.860 6.276 1.00 0.00 C ATOM 1718 CG GLU A 106 7.545 -6.085 7.568 1.00 0.00 C ATOM 1719 CD GLU A 106 7.908 -4.619 7.431 1.00 0.00 C ATOM 1720 OE1 GLU A 106 7.455 -3.985 6.455 1.00 0.00 O ATOM 1721 OE2 GLU A 106 8.645 -4.106 8.299 1.00 0.00 O ATOM 0 H GLU A 106 8.284 -9.035 7.343 1.00 0.00 H new ATOM 0 HA GLU A 106 5.911 -7.904 6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.784 -7.177 6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.556 -6.196 5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.505 -6.170 7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.153 -6.534 8.353 1.00 0.00 H new ATOM 1728 N MET A 107 7.220 -9.281 4.076 1.00 0.00 N ATOM 1729 CA MET A 107 6.998 -9.620 2.675 1.00 0.00 C ATOM 1730 C MET A 107 5.888 -10.657 2.537 1.00 0.00 C ATOM 1731 O MET A 107 5.003 -10.522 1.692 1.00 0.00 O ATOM 1732 CB MET A 107 8.288 -10.150 2.046 1.00 0.00 C ATOM 1733 CG MET A 107 8.053 -11.065 0.856 1.00 0.00 C ATOM 1734 SD MET A 107 9.444 -11.084 -0.291 1.00 0.00 S ATOM 1735 CE MET A 107 9.619 -12.843 -0.580 1.00 0.00 C ATOM 0 H MET A 107 7.959 -9.819 4.529 1.00 0.00 H new ATOM 0 HA MET A 107 6.693 -8.714 2.151 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.901 -9.306 1.729 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.856 -10.691 2.803 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.867 -12.078 1.213 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.156 -10.744 0.327 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.442 -13.018 -1.272 1.00 0.00 H new ATOM 0 HE2 MET A 107 9.825 -13.348 0.364 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.696 -13.235 -1.007 1.00 0.00 H new ATOM 1745 N GLU A 108 5.942 -11.691 3.371 1.00 0.00 N ATOM 1746 CA GLU A 108 4.941 -12.750 3.338 1.00 0.00 C ATOM 1747 C GLU A 108 3.537 -12.178 3.514 1.00 0.00 C ATOM 1748 O GLU A 108 2.579 -12.657 2.907 1.00 0.00 O ATOM 1749 CB GLU A 108 5.223 -13.783 4.432 1.00 0.00 C ATOM 1750 CG GLU A 108 4.524 -13.483 5.747 1.00 0.00 C ATOM 1751 CD GLU A 108 4.936 -14.431 6.857 1.00 0.00 C ATOM 1752 OE1 GLU A 108 4.843 -15.659 6.653 1.00 0.00 O ATOM 1753 OE2 GLU A 108 5.353 -13.943 7.928 1.00 0.00 O ATOM 0 H GLU A 108 6.668 -11.817 4.077 1.00 0.00 H new ATOM 0 HA GLU A 108 4.997 -13.237 2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.911 -14.766 4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.298 -13.833 4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.747 -12.459 6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.445 -13.545 5.603 1.00 0.00 H new ATOM 1760 N LEU A 109 3.424 -11.151 4.349 1.00 0.00 N ATOM 1761 CA LEU A 109 2.138 -10.512 4.606 1.00 0.00 C ATOM 1762 C LEU A 109 1.654 -9.748 3.378 1.00 0.00 C ATOM 1763 O LEU A 109 0.506 -9.893 2.957 1.00 0.00 O ATOM 1764 CB LEU A 109 2.247 -9.563 5.801 1.00 0.00 C ATOM 1765 CG LEU A 109 2.778 -10.175 7.098 1.00 0.00 C ATOM 1766 CD1 LEU A 109 2.794 -9.138 8.210 1.00 0.00 C ATOM 1767 CD2 LEU A 109 1.939 -11.379 7.501 1.00 0.00 C ATOM 0 H LEU A 109 4.207 -10.743 4.860 1.00 0.00 H new ATOM 0 HA LEU A 109 1.412 -11.292 4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.896 -8.733 5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.260 -9.144 5.998 1.00 0.00 H new ATOM 0 HG LEU A 109 3.801 -10.510 6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.175 -9.592 9.125 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.437 -8.306 7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.782 -8.772 8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.331 -11.802 8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.906 -11.068 7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.979 -12.131 6.713 1.00 0.00 H new ATOM 1779 N TRP A 110 2.537 -8.937 2.807 1.00 0.00 N ATOM 1780 CA TRP A 110 2.200 -8.151 1.625 1.00 0.00 C ATOM 1781 C TRP A 110 1.826 -9.058 0.457 1.00 0.00 C ATOM 1782 O TRP A 110 0.787 -8.874 -0.175 1.00 0.00 O ATOM 1783 CB TRP A 110 3.374 -7.253 1.233 1.00 0.00 C ATOM 1784 CG TRP A 110 3.337 -5.906 1.890 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.307 -5.348 2.672 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.273 -4.949 1.823 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.911 -4.102 3.096 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.668 -3.834 2.587 1.00 0.00 C ATOM 1789 CE3 TRP A 110 1.028 -4.925 1.190 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.860 -2.710 2.735 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.227 -3.809 1.338 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.645 -2.714 2.105 1.00 0.00 C ATOM 0 H TRP A 110 3.491 -8.806 3.143 1.00 0.00 H new ATOM 0 HA TRP A 110 1.339 -7.527 1.867 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.307 -7.752 1.495 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.376 -7.122 0.151 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.248 -5.817 2.921 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.454 -3.478 3.693 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.697 -5.764 0.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.181 -1.865 3.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.738 -3.780 0.854 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.004 -1.856 2.201 1.00 0.00 H new ATOM 1803 N MET A 111 2.680 -10.037 0.176 1.00 0.00 N ATOM 1804 CA MET A 111 2.437 -10.973 -0.915 1.00 0.00 C ATOM 1805 C MET A 111 1.109 -11.698 -0.724 1.00 0.00 C ATOM 1806 O MET A 111 0.192 -11.560 -1.533 1.00 0.00 O ATOM 1807 CB MET A 111 3.577 -11.988 -1.008 1.00 0.00 C ATOM 1808 CG MET A 111 4.875 -11.399 -1.538 1.00 0.00 C ATOM 1809 SD MET A 111 4.840 -11.134 -3.321 1.00 0.00 S ATOM 1810 CE MET A 111 6.018 -12.368 -3.869 1.00 0.00 C ATOM 0 H MET A 111 3.546 -10.202 0.689 1.00 0.00 H new ATOM 0 HA MET A 111 2.390 -10.405 -1.844 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.757 -12.411 -0.020 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.269 -12.809 -1.655 1.00 0.00 H new ATOM 0 HG2 MET A 111 5.070 -10.451 -1.037 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.700 -12.066 -1.290 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.147 -12.293 -4.949 1.00 0.00 H new ATOM 0 HE2 MET A 111 6.976 -12.201 -3.376 1.00 0.00 H new ATOM 0 HE3 MET A 111 5.648 -13.362 -3.616 1.00 0.00 H new ATOM 1820 N LYS A 112 1.012 -12.472 0.352 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.204 -13.219 0.651 1.00 0.00 C ATOM 1822 C LYS A 112 -1.443 -12.424 0.251 1.00 0.00 C ATOM 1823 O LYS A 112 -2.385 -12.972 -0.321 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.264 -13.560 2.142 1.00 0.00 C ATOM 1825 CG LYS A 112 0.580 -14.764 2.524 1.00 0.00 C ATOM 1826 CD LYS A 112 -0.058 -16.063 2.061 1.00 0.00 C ATOM 1827 CE LYS A 112 -1.091 -16.563 3.059 1.00 0.00 C ATOM 1828 NZ LYS A 112 -1.672 -17.871 2.647 1.00 0.00 N ATOM 0 H LYS A 112 1.762 -12.598 1.032 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.184 -14.143 0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.069 -12.696 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.300 -13.750 2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.572 -14.668 2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.712 -14.788 3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.531 -15.912 1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.714 -16.820 1.924 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.628 -16.664 4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.888 -15.826 3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -2.371 -18.178 3.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -2.136 -17.769 1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.915 -18.581 2.578 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.434 -11.130 0.554 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.555 -10.260 0.222 1.00 0.00 C ATOM 1844 C ALA A 113 -2.552 -9.902 -1.260 1.00 0.00 C ATOM 1845 O ALA A 113 -3.482 -10.241 -1.992 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.514 -8.999 1.073 1.00 0.00 C ATOM 0 H ALA A 113 -0.663 -10.661 1.029 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.478 -10.799 0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.357 -8.358 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.573 -9.269 2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.582 -8.465 0.887 1.00 0.00 H new ATOM 1852 N MET A 114 -1.502 -9.213 -1.695 1.00 0.00 N ATOM 1853 CA MET A 114 -1.379 -8.809 -3.091 1.00 0.00 C ATOM 1854 C MET A 114 -1.815 -9.935 -4.023 1.00 0.00 C ATOM 1855 O MET A 114 -2.685 -9.748 -4.875 1.00 0.00 O ATOM 1856 CB MET A 114 0.063 -8.404 -3.402 1.00 0.00 C ATOM 1857 CG MET A 114 0.460 -7.065 -2.802 1.00 0.00 C ATOM 1858 SD MET A 114 1.976 -6.404 -3.521 1.00 0.00 S ATOM 1859 CE MET A 114 2.519 -5.304 -2.216 1.00 0.00 C ATOM 0 H MET A 114 -0.725 -8.923 -1.102 1.00 0.00 H new ATOM 0 HA MET A 114 -2.033 -7.952 -3.254 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.737 -9.175 -3.028 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.195 -8.362 -4.483 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.350 -6.350 -2.950 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.592 -7.178 -1.726 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.601 -5.182 -2.270 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.038 -4.333 -2.335 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.249 -5.727 -1.248 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.207 -11.104 -3.857 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.532 -12.261 -4.684 1.00 0.00 C ATOM 1871 C LEU A 115 -3.032 -12.536 -4.670 1.00 0.00 C ATOM 1872 O LEU A 115 -3.616 -12.901 -5.690 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.772 -13.494 -4.193 1.00 0.00 C ATOM 1874 CG LEU A 115 0.602 -13.730 -4.822 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.495 -13.767 -6.339 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.583 -12.654 -4.381 1.00 0.00 C ATOM 0 H LEU A 115 -0.486 -11.276 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.231 -12.040 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.646 -13.412 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.389 -14.373 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 115 0.975 -14.695 -4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.482 -13.936 -6.769 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.174 -14.575 -6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.100 -12.817 -6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.555 -12.838 -4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.215 -11.676 -4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.683 -12.675 -3.296 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.650 -12.355 -3.508 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.084 -12.581 -3.361 1.00 0.00 C ATOM 1890 C ASP A 116 -5.876 -11.656 -4.280 1.00 0.00 C ATOM 1891 O ASP A 116 -6.971 -11.997 -4.726 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.510 -12.364 -1.908 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.723 -13.191 -1.531 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -6.631 -14.435 -1.585 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -7.763 -12.595 -1.182 1.00 0.00 O ATOM 0 H ASP A 116 -3.181 -12.053 -2.654 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.295 -13.612 -3.643 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.681 -12.618 -1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.731 -11.308 -1.751 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.315 -10.484 -4.558 1.00 0.00 N ATOM 1901 CA ALA A 117 -5.968 -9.510 -5.424 1.00 0.00 C ATOM 1902 C ALA A 117 -5.584 -9.730 -6.884 1.00 0.00 C ATOM 1903 O ALA A 117 -6.442 -9.737 -7.766 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.614 -8.096 -4.990 1.00 0.00 C ATOM 0 H ALA A 117 -4.409 -10.186 -4.196 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.046 -9.646 -5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.109 -7.380 -5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.945 -7.937 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.535 -7.957 -5.049 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.290 -9.907 -7.130 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.794 -10.128 -8.483 1.00 0.00 C ATOM 1912 C ALA A 118 -4.433 -11.363 -9.108 1.00 0.00 C ATOM 1913 O ALA A 118 -4.883 -11.330 -10.254 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.278 -10.263 -8.473 1.00 0.00 C ATOM 0 H ALA A 118 -3.567 -9.902 -6.411 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.068 -9.264 -9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.921 -10.428 -9.490 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.834 -9.350 -8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.992 -11.108 -7.847 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.470 -12.452 -8.348 1.00 0.00 N ATOM 1921 CA LEU A 119 -5.054 -13.700 -8.828 1.00 0.00 C ATOM 1922 C LEU A 119 -6.426 -13.456 -9.449 1.00 0.00 C ATOM 1923 O LEU A 119 -6.860 -14.195 -10.333 1.00 0.00 O ATOM 1924 CB LEU A 119 -5.172 -14.705 -7.681 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.438 -14.606 -6.829 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -7.550 -15.456 -7.423 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -6.150 -15.027 -5.395 1.00 0.00 C ATOM 0 H LEU A 119 -4.103 -12.496 -7.397 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.396 -14.109 -9.595 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.117 -15.710 -8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.308 -14.583 -7.028 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.768 -13.567 -6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.443 -15.373 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.775 -15.108 -8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.231 -16.498 -7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.062 -14.950 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -5.795 -16.057 -5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.386 -14.375 -4.971 1.00 0.00 H new