USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=20 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 94 MET CE :methyl -169:sc= -1.76 (180deg=-2.03) USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= -0.0291 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= -0.12 (180deg=-0.57) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 9:sc= 0.479 USER MOD Single : A 52 TYR OH : rot 1:sc= -0.501 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 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0102 K(o=-0.01,f=-0.55) 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 91 HIS : no HD1:sc= -9.15! C(o=-9.2!,f=-17!) USER MOD Single : A 93 ASN : amide:sc= -0.0935 X(o=-0.094,f=-0.12) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot -105:sc= 0.699 USER MOD Single : A 101 THR OG1 : rot 117:sc= 0.265 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 -152:sc= -0.17 (180deg=-0.921) USER MOD Single : A 111 MET CE :methyl 138:sc= -1.35 (180deg=-4.82!) USER MOD Single : A 112 LYS NZ :NH3+ -157:sc= -0.117 (180deg=-0.481) USER MOD Single : A 114 MET CE :methyl 142:sc= -0.323 (180deg=-1.62!) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.404 -3.684 4.583 1.00 0.00 N ATOM 266 CA PRO A 20 -12.375 -4.042 5.564 1.00 0.00 C ATOM 267 C PRO A 20 -10.970 -3.993 4.975 1.00 0.00 C ATOM 268 O PRO A 20 -10.758 -4.354 3.817 1.00 0.00 O ATOM 269 CB PRO A 20 -12.741 -5.476 5.954 1.00 0.00 C ATOM 270 CG PRO A 20 -14.213 -5.564 5.739 1.00 0.00 C ATOM 271 CD PRO A 20 -14.545 -4.615 4.609 1.00 0.00 C ATOM 0 HA PRO A 20 -12.355 -3.348 6.405 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.207 -6.202 5.340 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.480 -5.683 6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.507 -6.583 5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.753 -5.291 6.645 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.651 -5.143 3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.484 -4.092 4.789 1.00 0.00 H new ATOM 279 N VAL A 21 -10.011 -3.543 5.779 1.00 0.00 N ATOM 280 CA VAL A 21 -8.625 -3.448 5.337 1.00 0.00 C ATOM 281 C VAL A 21 -7.839 -4.697 5.719 1.00 0.00 C ATOM 282 O VAL A 21 -7.752 -5.053 6.894 1.00 0.00 O ATOM 283 CB VAL A 21 -7.928 -2.212 5.938 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.485 -2.130 5.464 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.689 -0.945 5.579 1.00 0.00 C ATOM 0 H VAL A 21 -10.169 -3.239 6.740 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.645 -3.353 4.251 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.923 -2.310 7.024 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.009 -1.251 5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.948 -3.026 5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.463 -2.055 4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.183 -0.082 6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.727 -0.838 4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.703 -1.006 5.973 1.00 0.00 H new ATOM 295 N VAL A 22 -7.268 -5.359 4.718 1.00 0.00 N ATOM 296 CA VAL A 22 -6.488 -6.569 4.948 1.00 0.00 C ATOM 297 C VAL A 22 -5.243 -6.270 5.777 1.00 0.00 C ATOM 298 O VAL A 22 -4.998 -6.910 6.800 1.00 0.00 O ATOM 299 CB VAL A 22 -6.062 -7.224 3.621 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.253 -8.485 3.883 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.281 -7.531 2.764 1.00 0.00 C ATOM 0 H VAL A 22 -7.331 -5.078 3.740 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.129 -7.260 5.495 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.430 -6.523 3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.961 -8.934 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.360 -8.232 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.857 -9.194 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.962 -7.993 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.940 -8.214 3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.815 -6.606 2.547 1.00 0.00 H new ATOM 311 N ARG A 23 -4.461 -5.294 5.328 1.00 0.00 N ATOM 312 CA ARG A 23 -3.240 -4.911 6.028 1.00 0.00 C ATOM 313 C ARG A 23 -2.701 -3.587 5.494 1.00 0.00 C ATOM 314 O ARG A 23 -2.728 -3.335 4.289 1.00 0.00 O ATOM 315 CB ARG A 23 -2.179 -6.003 5.882 1.00 0.00 C ATOM 316 CG ARG A 23 -0.795 -5.571 6.337 1.00 0.00 C ATOM 317 CD ARG A 23 0.186 -6.733 6.319 1.00 0.00 C ATOM 318 NE ARG A 23 -0.243 -7.824 7.190 1.00 0.00 N ATOM 319 CZ ARG A 23 -1.083 -8.781 6.811 1.00 0.00 C ATOM 320 NH1 ARG A 23 -1.582 -8.781 5.583 1.00 0.00 N ATOM 321 NH2 ARG A 23 -1.425 -9.740 7.661 1.00 0.00 N ATOM 0 H ARG A 23 -4.651 -4.754 4.484 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.479 -4.787 7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.486 -6.876 6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.129 -6.312 4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.430 -4.775 5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.854 -5.159 7.344 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.291 -7.103 5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.169 -6.383 6.634 1.00 0.00 H new ATOM 0 HE ARG A 23 0.122 -7.853 8.142 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.321 -8.045 4.927 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.227 -9.517 5.294 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.043 -9.743 8.607 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.070 -10.474 7.369 1.00 0.00 H new ATOM 335 N ARG A 24 -2.211 -2.746 6.398 1.00 0.00 N ATOM 336 CA ARG A 24 -1.667 -1.447 6.019 1.00 0.00 C ATOM 337 C ARG A 24 -0.296 -1.226 6.652 1.00 0.00 C ATOM 338 O ARG A 24 -0.132 -1.361 7.864 1.00 0.00 O ATOM 339 CB ARG A 24 -2.621 -0.328 6.438 1.00 0.00 C ATOM 340 CG ARG A 24 -3.167 -0.489 7.847 1.00 0.00 C ATOM 341 CD ARG A 24 -3.875 0.771 8.319 1.00 0.00 C ATOM 342 NE ARG A 24 -3.835 0.911 9.772 1.00 0.00 N ATOM 343 CZ ARG A 24 -4.036 2.061 10.406 1.00 0.00 C ATOM 344 NH1 ARG A 24 -4.290 3.165 9.717 1.00 0.00 N ATOM 345 NH2 ARG A 24 -3.983 2.107 11.731 1.00 0.00 N ATOM 0 H ARG A 24 -2.179 -2.941 7.399 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.554 -1.431 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.101 0.627 6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.454 -0.291 5.736 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.861 -1.329 7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.351 -0.726 8.529 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.410 1.642 7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.913 0.750 7.985 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.642 0.080 10.331 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.331 3.132 8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.444 4.047 10.206 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.788 1.259 12.263 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.137 2.990 12.217 1.00 0.00 H new ATOM 359 N GLY A 25 0.686 -0.886 5.822 1.00 0.00 N ATOM 360 CA GLY A 25 2.029 -0.653 6.319 1.00 0.00 C ATOM 361 C GLY A 25 2.863 0.181 5.366 1.00 0.00 C ATOM 362 O GLY A 25 2.549 0.279 4.180 1.00 0.00 O ATOM 0 H GLY A 25 0.575 -0.768 4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.974 -0.150 7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.522 -1.610 6.486 1.00 0.00 H new ATOM 366 N TRP A 26 3.926 0.783 5.885 1.00 0.00 N ATOM 367 CA TRP A 26 4.807 1.614 5.072 1.00 0.00 C ATOM 368 C TRP A 26 5.659 0.757 4.142 1.00 0.00 C ATOM 369 O TRP A 26 6.758 0.335 4.503 1.00 0.00 O ATOM 370 CB TRP A 26 5.708 2.467 5.967 1.00 0.00 C ATOM 371 CG TRP A 26 4.981 3.588 6.645 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.415 3.565 7.888 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.739 4.897 6.117 1.00 0.00 C ATOM 374 NE1 TRP A 26 3.837 4.781 8.164 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.023 5.615 7.094 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.060 5.532 4.914 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.622 6.935 6.903 1.00 0.00 C ATOM 378 CZ3 TRP A 26 4.662 6.842 4.726 1.00 0.00 C ATOM 379 CH2 TRP A 26 3.950 7.532 5.716 1.00 0.00 C ATOM 0 H TRP A 26 4.199 0.712 6.865 1.00 0.00 H new ATOM 0 HA TRP A 26 4.185 2.270 4.463 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.165 1.829 6.724 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.519 2.880 5.367 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.421 2.716 8.556 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.349 5.023 9.026 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.609 5.008 4.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.072 7.468 7.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.904 7.342 3.800 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.654 8.555 5.539 1.00 0.00 H new ATOM 390 N LEU A 27 5.145 0.502 2.944 1.00 0.00 N ATOM 391 CA LEU A 27 5.859 -0.305 1.961 1.00 0.00 C ATOM 392 C LEU A 27 6.820 0.554 1.145 1.00 0.00 C ATOM 393 O LEU A 27 6.691 1.778 1.103 1.00 0.00 O ATOM 394 CB LEU A 27 4.868 -1.006 1.030 1.00 0.00 C ATOM 395 CG LEU A 27 5.471 -1.991 0.027 1.00 0.00 C ATOM 396 CD1 LEU A 27 6.017 -3.216 0.744 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.434 -2.396 -1.011 1.00 0.00 C ATOM 0 H LEU A 27 4.236 0.842 2.630 1.00 0.00 H new ATOM 0 HA LEU A 27 6.438 -1.057 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.141 -1.541 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.319 -0.244 0.476 1.00 0.00 H new ATOM 0 HG LEU A 27 6.297 -1.498 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.442 -3.905 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.791 -2.911 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.210 -3.711 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.880 -3.097 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.588 -2.870 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.091 -1.511 -1.547 1.00 0.00 H new ATOM 409 N TYR A 28 7.781 -0.095 0.497 1.00 0.00 N ATOM 410 CA TYR A 28 8.764 0.609 -0.318 1.00 0.00 C ATOM 411 C TYR A 28 8.564 0.303 -1.799 1.00 0.00 C ATOM 412 O TYR A 28 8.496 -0.859 -2.201 1.00 0.00 O ATOM 413 CB TYR A 28 10.181 0.222 0.108 1.00 0.00 C ATOM 414 CG TYR A 28 10.425 0.353 1.594 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.587 1.601 2.184 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.491 -0.770 2.409 1.00 0.00 C ATOM 417 CE1 TYR A 28 10.811 1.725 3.542 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.712 -0.656 3.768 1.00 0.00 C ATOM 419 CZ TYR A 28 10.872 0.594 4.329 1.00 0.00 C ATOM 420 OH TYR A 28 11.093 0.713 5.682 1.00 0.00 O ATOM 0 H TYR A 28 7.900 -1.108 0.520 1.00 0.00 H new ATOM 0 HA TYR A 28 8.625 1.679 -0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.373 -0.808 -0.194 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.895 0.849 -0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.537 2.489 1.571 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.367 -1.750 1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 28 10.938 2.702 3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.759 -1.540 4.387 1.00 0.00 H new ATOM 0 HH TYR A 28 11.106 -0.178 6.091 1.00 0.00 H new ATOM 430 N LYS A 29 8.470 1.354 -2.606 1.00 0.00 N ATOM 431 CA LYS A 29 8.280 1.201 -4.043 1.00 0.00 C ATOM 432 C LYS A 29 9.537 1.608 -4.805 1.00 0.00 C ATOM 433 O LYS A 29 10.299 2.461 -4.351 1.00 0.00 O ATOM 434 CB LYS A 29 7.091 2.042 -4.514 1.00 0.00 C ATOM 435 CG LYS A 29 6.718 1.808 -5.967 1.00 0.00 C ATOM 436 CD LYS A 29 5.232 2.023 -6.203 1.00 0.00 C ATOM 437 CE LYS A 29 4.878 3.502 -6.218 1.00 0.00 C ATOM 438 NZ LYS A 29 5.577 4.228 -7.314 1.00 0.00 N ATOM 0 H LYS A 29 8.522 2.322 -2.289 1.00 0.00 H new ATOM 0 HA LYS A 29 8.077 0.150 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.228 1.820 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.325 3.097 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.290 2.483 -6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.990 0.792 -6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.944 1.569 -7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.662 1.519 -5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.800 3.616 -6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.143 3.949 -5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.060 5.102 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.544 4.465 -7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.617 3.624 -8.160 1.00 0.00 H new ATOM 571 N TRP A 38 14.647 2.956 -3.627 1.00 0.00 N ATOM 572 CA TRP A 38 13.335 2.734 -3.030 1.00 0.00 C ATOM 573 C TRP A 38 12.845 3.985 -2.310 1.00 0.00 C ATOM 574 O TRP A 38 13.643 4.790 -1.831 1.00 0.00 O ATOM 575 CB TRP A 38 13.389 1.557 -2.054 1.00 0.00 C ATOM 576 CG TRP A 38 14.073 0.348 -2.619 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.416 0.100 -2.636 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.447 -0.774 -3.249 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.662 -1.110 -3.239 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.471 -1.667 -3.623 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.121 -1.114 -3.532 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.208 -2.874 -4.266 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.862 -2.312 -4.170 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.901 -3.180 -4.530 1.00 0.00 C ATOM 0 HA TRP A 38 12.634 2.501 -3.831 1.00 0.00 H new ATOM 0 HB2 TRP A 38 13.908 1.869 -1.148 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.373 1.288 -1.763 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.173 0.758 -2.235 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.583 -1.526 -3.378 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.313 -0.452 -3.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 15.007 -3.544 -4.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.841 -2.584 -4.395 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.665 -4.110 -5.026 1.00 0.00 H new ATOM 595 N LYS A 39 11.528 4.143 -2.237 1.00 0.00 N ATOM 596 CA LYS A 39 10.930 5.296 -1.573 1.00 0.00 C ATOM 597 C LYS A 39 9.955 4.853 -0.487 1.00 0.00 C ATOM 598 O LYS A 39 9.281 3.832 -0.622 1.00 0.00 O ATOM 599 CB LYS A 39 10.209 6.180 -2.593 1.00 0.00 C ATOM 600 CG LYS A 39 11.142 6.843 -3.591 1.00 0.00 C ATOM 601 CD LYS A 39 11.825 8.061 -2.992 1.00 0.00 C ATOM 602 CE LYS A 39 13.176 8.318 -3.642 1.00 0.00 C ATOM 603 NZ LYS A 39 13.042 9.056 -4.928 1.00 0.00 N ATOM 0 H LYS A 39 10.853 3.487 -2.630 1.00 0.00 H new ATOM 0 HA LYS A 39 11.730 5.870 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.481 5.576 -3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.651 6.951 -2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.895 6.126 -3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.579 7.139 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.187 8.936 -3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.958 7.915 -1.920 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.804 8.890 -2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.680 7.368 -3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.985 9.211 -5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.463 8.499 -5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.584 9.974 -4.756 1.00 0.00 H new ATOM 617 N LYS A 40 9.882 5.630 0.588 1.00 0.00 N ATOM 618 CA LYS A 40 8.987 5.321 1.697 1.00 0.00 C ATOM 619 C LYS A 40 7.614 5.947 1.478 1.00 0.00 C ATOM 620 O LYS A 40 7.499 7.153 1.261 1.00 0.00 O ATOM 621 CB LYS A 40 9.583 5.820 3.015 1.00 0.00 C ATOM 622 CG LYS A 40 8.639 5.686 4.198 1.00 0.00 C ATOM 623 CD LYS A 40 8.803 4.345 4.894 1.00 0.00 C ATOM 624 CE LYS A 40 8.244 4.379 6.308 1.00 0.00 C ATOM 625 NZ LYS A 40 9.220 4.952 7.276 1.00 0.00 N ATOM 0 H LYS A 40 10.432 6.479 0.715 1.00 0.00 H new ATOM 0 HA LYS A 40 8.870 4.238 1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.497 5.264 3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.866 6.867 2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.828 6.491 4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.610 5.797 3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.295 3.571 4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.859 4.077 4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.328 4.970 6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.976 3.369 6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.802 4.958 8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.084 4.374 7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.456 5.925 6.996 1.00 0.00 H new ATOM 639 N ARG A 41 6.575 5.120 1.538 1.00 0.00 N ATOM 640 CA ARG A 41 5.209 5.594 1.346 1.00 0.00 C ATOM 641 C ARG A 41 4.223 4.748 2.146 1.00 0.00 C ATOM 642 O ARG A 41 4.514 3.606 2.500 1.00 0.00 O ATOM 643 CB ARG A 41 4.839 5.561 -0.138 1.00 0.00 C ATOM 644 CG ARG A 41 5.326 6.774 -0.914 1.00 0.00 C ATOM 645 CD ARG A 41 4.464 7.995 -0.639 1.00 0.00 C ATOM 646 NE ARG A 41 5.013 9.202 -1.251 1.00 0.00 N ATOM 647 CZ ARG A 41 4.870 9.505 -2.536 1.00 0.00 C ATOM 648 NH1 ARG A 41 4.198 8.694 -3.341 1.00 0.00 N ATOM 649 NH2 ARG A 41 5.399 10.622 -3.019 1.00 0.00 N ATOM 0 H ARG A 41 6.653 4.119 1.718 1.00 0.00 H new ATOM 0 HA ARG A 41 5.154 6.622 1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.257 4.660 -0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.755 5.491 -0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.360 6.989 -0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.315 6.553 -1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.458 7.821 -1.020 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.377 8.142 0.438 1.00 0.00 H new ATOM 0 HE ARG A 41 5.535 9.848 -0.659 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.789 7.835 -2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.090 8.929 -4.328 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.916 11.249 -2.403 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.288 10.853 -4.006 1.00 0.00 H new ATOM 663 N TRP A 42 3.057 5.318 2.428 1.00 0.00 N ATOM 664 CA TRP A 42 2.028 4.616 3.188 1.00 0.00 C ATOM 665 C TRP A 42 1.116 3.819 2.261 1.00 0.00 C ATOM 666 O TRP A 42 0.284 4.388 1.554 1.00 0.00 O ATOM 667 CB TRP A 42 1.202 5.610 4.005 1.00 0.00 C ATOM 668 CG TRP A 42 0.254 4.951 4.960 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.092 5.165 5.059 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.580 3.971 5.952 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.621 4.377 6.053 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.617 3.635 6.616 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.765 3.343 6.344 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.659 2.701 7.647 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.722 2.417 7.368 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.517 2.102 8.010 1.00 0.00 C ATOM 0 H TRP A 42 2.800 6.263 2.143 1.00 0.00 H new ATOM 0 HA TRP A 42 2.522 3.921 3.867 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.876 6.259 4.564 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.637 6.247 3.325 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.657 5.852 4.446 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.603 4.349 6.327 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.699 3.578 5.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.587 2.457 8.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.633 1.927 7.679 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.516 1.373 8.806 1.00 0.00 H new ATOM 687 N PHE A 43 1.277 2.500 2.270 1.00 0.00 N ATOM 688 CA PHE A 43 0.469 1.626 1.429 1.00 0.00 C ATOM 689 C PHE A 43 -0.646 0.971 2.240 1.00 0.00 C ATOM 690 O PHE A 43 -0.513 0.764 3.446 1.00 0.00 O ATOM 691 CB PHE A 43 1.345 0.550 0.784 1.00 0.00 C ATOM 692 CG PHE A 43 1.941 0.970 -0.529 1.00 0.00 C ATOM 693 CD1 PHE A 43 1.237 0.801 -1.710 1.00 0.00 C ATOM 694 CD2 PHE A 43 3.205 1.535 -0.582 1.00 0.00 C ATOM 695 CE1 PHE A 43 1.783 1.186 -2.920 1.00 0.00 C ATOM 696 CE2 PHE A 43 3.756 1.923 -1.789 1.00 0.00 C ATOM 697 CZ PHE A 43 3.044 1.749 -2.959 1.00 0.00 C ATOM 0 H PHE A 43 1.960 2.013 2.851 1.00 0.00 H new ATOM 0 HA PHE A 43 0.017 2.234 0.645 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.149 0.287 1.471 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.749 -0.350 0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.250 0.363 -1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.766 1.674 0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.225 1.047 -3.834 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.742 2.362 -1.817 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.472 2.052 -3.903 1.00 0.00 H new ATOM 707 N VAL A 44 -1.746 0.647 1.568 1.00 0.00 N ATOM 708 CA VAL A 44 -2.885 0.015 2.224 1.00 0.00 C ATOM 709 C VAL A 44 -3.571 -0.981 1.296 1.00 0.00 C ATOM 710 O VAL A 44 -3.853 -0.673 0.137 1.00 0.00 O ATOM 711 CB VAL A 44 -3.915 1.060 2.690 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.167 0.377 3.220 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.308 1.972 3.746 1.00 0.00 C ATOM 0 H VAL A 44 -1.873 0.812 0.569 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.496 -0.513 3.094 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.199 1.672 1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.883 1.132 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.612 -0.230 2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.904 -0.261 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.050 2.705 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.994 1.377 4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.444 2.489 3.328 1.00 0.00 H new ATOM 723 N LEU A 45 -3.839 -2.175 1.812 1.00 0.00 N ATOM 724 CA LEU A 45 -4.494 -3.217 1.030 1.00 0.00 C ATOM 725 C LEU A 45 -5.986 -3.277 1.343 1.00 0.00 C ATOM 726 O LEU A 45 -6.394 -3.833 2.363 1.00 0.00 O ATOM 727 CB LEU A 45 -3.848 -4.575 1.310 1.00 0.00 C ATOM 728 CG LEU A 45 -3.895 -5.590 0.166 1.00 0.00 C ATOM 729 CD1 LEU A 45 -5.265 -6.246 0.092 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.550 -4.920 -1.156 1.00 0.00 C ATOM 0 H LEU A 45 -3.613 -2.446 2.769 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.372 -2.974 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.805 -4.410 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.336 -5.015 2.180 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.154 -6.365 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.280 -6.965 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.473 -6.760 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.025 -5.484 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.588 -5.657 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.267 -4.125 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.547 -4.498 -1.099 1.00 0.00 H new ATOM 742 N SER A 46 -6.795 -2.703 0.458 1.00 0.00 N ATOM 743 CA SER A 46 -8.241 -2.690 0.641 1.00 0.00 C ATOM 744 C SER A 46 -8.958 -2.945 -0.681 1.00 0.00 C ATOM 745 O SER A 46 -8.494 -2.530 -1.742 1.00 0.00 O ATOM 746 CB SER A 46 -8.690 -1.350 1.227 1.00 0.00 C ATOM 747 OG SER A 46 -8.873 -0.383 0.207 1.00 0.00 O ATOM 0 H SER A 46 -6.473 -2.241 -0.393 1.00 0.00 H new ATOM 0 HA SER A 46 -8.502 -3.488 1.336 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.622 -1.484 1.777 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.947 -0.994 1.941 1.00 0.00 H new ATOM 0 HG SER A 46 -9.161 0.464 0.607 1.00 0.00 H new ATOM 753 N ASP A 47 -10.093 -3.632 -0.608 1.00 0.00 N ATOM 754 CA ASP A 47 -10.877 -3.944 -1.798 1.00 0.00 C ATOM 755 C ASP A 47 -9.992 -4.534 -2.891 1.00 0.00 C ATOM 756 O ASP A 47 -10.037 -4.100 -4.043 1.00 0.00 O ATOM 757 CB ASP A 47 -11.579 -2.687 -2.315 1.00 0.00 C ATOM 758 CG ASP A 47 -12.621 -3.000 -3.371 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.787 -3.246 -2.997 1.00 0.00 O ATOM 760 OD2 ASP A 47 -12.271 -2.999 -4.570 1.00 0.00 O ATOM 0 H ASP A 47 -10.491 -3.984 0.263 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.629 -4.684 -1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.054 -2.171 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.837 -2.005 -2.731 1.00 0.00 H new ATOM 765 N LEU A 48 -9.188 -5.526 -2.524 1.00 0.00 N ATOM 766 CA LEU A 48 -8.292 -6.176 -3.473 1.00 0.00 C ATOM 767 C LEU A 48 -7.653 -5.153 -4.407 1.00 0.00 C ATOM 768 O LEU A 48 -7.577 -5.366 -5.618 1.00 0.00 O ATOM 769 CB LEU A 48 -9.053 -7.223 -4.289 1.00 0.00 C ATOM 770 CG LEU A 48 -9.762 -8.314 -3.486 1.00 0.00 C ATOM 771 CD1 LEU A 48 -10.688 -9.120 -4.383 1.00 0.00 C ATOM 772 CD2 LEU A 48 -8.747 -9.224 -2.810 1.00 0.00 C ATOM 0 H LEU A 48 -9.139 -5.898 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.501 -6.669 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.795 -6.709 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.352 -7.701 -4.973 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.363 -7.836 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.184 -9.892 -3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.437 -8.460 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.108 -9.587 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.270 -9.994 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.119 -9.694 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.124 -8.637 -2.135 1.00 0.00 H new ATOM 784 N CYS A 49 -7.193 -4.045 -3.836 1.00 0.00 N ATOM 785 CA CYS A 49 -6.559 -2.990 -4.618 1.00 0.00 C ATOM 786 C CYS A 49 -5.494 -2.270 -3.796 1.00 0.00 C ATOM 787 O CYS A 49 -5.464 -2.377 -2.569 1.00 0.00 O ATOM 788 CB CYS A 49 -7.606 -1.988 -5.106 1.00 0.00 C ATOM 789 SG CYS A 49 -7.009 -0.860 -6.386 1.00 0.00 S ATOM 0 H CYS A 49 -7.247 -3.854 -2.835 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.078 -3.451 -5.481 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.465 -2.536 -5.492 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.957 -1.403 -4.256 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.835 -1.245 -6.791 1.00 0.00 H new ATOM 795 N LEU A 50 -4.620 -1.539 -4.480 1.00 0.00 N ATOM 796 CA LEU A 50 -3.552 -0.803 -3.813 1.00 0.00 C ATOM 797 C LEU A 50 -3.905 0.676 -3.688 1.00 0.00 C ATOM 798 O LEU A 50 -4.397 1.289 -4.635 1.00 0.00 O ATOM 799 CB LEU A 50 -2.240 -0.962 -4.583 1.00 0.00 C ATOM 800 CG LEU A 50 -1.369 -2.155 -4.187 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.023 -2.091 -4.891 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.182 -2.200 -2.677 1.00 0.00 C ATOM 0 H LEU A 50 -4.630 -1.440 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.431 -1.214 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.473 -1.044 -5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.654 -0.052 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.875 -3.069 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.583 -2.948 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.176 -2.108 -5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.490 -1.171 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.560 -3.055 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.698 -1.282 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.154 -2.295 -2.193 1.00 0.00 H new ATOM 814 N PHE A 51 -3.650 1.242 -2.514 1.00 0.00 N ATOM 815 CA PHE A 51 -3.940 2.650 -2.265 1.00 0.00 C ATOM 816 C PHE A 51 -2.853 3.284 -1.401 1.00 0.00 C ATOM 817 O PHE A 51 -2.584 2.830 -0.289 1.00 0.00 O ATOM 818 CB PHE A 51 -5.301 2.799 -1.582 1.00 0.00 C ATOM 819 CG PHE A 51 -6.450 2.332 -2.429 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.765 2.981 -3.612 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.217 1.244 -2.042 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.821 2.553 -4.394 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.274 0.812 -2.820 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.578 1.468 -3.997 1.00 0.00 C ATOM 0 H PHE A 51 -3.243 0.748 -1.720 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.964 3.166 -3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.294 2.235 -0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.455 3.846 -1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.178 3.831 -3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.986 0.728 -1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.054 3.067 -5.315 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.862 -0.038 -2.508 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.405 1.133 -4.605 1.00 0.00 H new ATOM 834 N TYR A 52 -2.232 4.337 -1.922 1.00 0.00 N ATOM 835 CA TYR A 52 -1.173 5.033 -1.201 1.00 0.00 C ATOM 836 C TYR A 52 -1.494 6.518 -1.061 1.00 0.00 C ATOM 837 O TYR A 52 -2.135 7.111 -1.929 1.00 0.00 O ATOM 838 CB TYR A 52 0.165 4.855 -1.921 1.00 0.00 C ATOM 839 CG TYR A 52 0.114 5.209 -3.390 1.00 0.00 C ATOM 840 CD1 TYR A 52 0.259 6.525 -3.813 1.00 0.00 C ATOM 841 CD2 TYR A 52 -0.081 4.229 -4.355 1.00 0.00 C ATOM 842 CE1 TYR A 52 0.212 6.854 -5.154 1.00 0.00 C ATOM 843 CE2 TYR A 52 -0.127 4.548 -5.698 1.00 0.00 C ATOM 844 CZ TYR A 52 0.019 5.862 -6.093 1.00 0.00 C ATOM 845 OH TYR A 52 -0.028 6.185 -7.430 1.00 0.00 O ATOM 0 H TYR A 52 -2.444 4.727 -2.840 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.102 4.599 -0.203 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.916 5.475 -1.432 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.489 3.820 -1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.411 7.304 -3.081 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.199 3.200 -4.050 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.326 7.882 -5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.276 3.773 -6.435 1.00 0.00 H new ATOM 0 HH TYR A 52 0.107 7.150 -7.538 1.00 0.00 H new ATOM 855 N TYR A 53 -1.044 7.112 0.038 1.00 0.00 N ATOM 856 CA TYR A 53 -1.284 8.527 0.295 1.00 0.00 C ATOM 857 C TYR A 53 0.024 9.258 0.586 1.00 0.00 C ATOM 858 O TYR A 53 1.101 8.662 0.555 1.00 0.00 O ATOM 859 CB TYR A 53 -2.249 8.698 1.469 1.00 0.00 C ATOM 860 CG TYR A 53 -3.414 7.735 1.440 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.212 6.365 1.549 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.718 8.196 1.305 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.273 5.481 1.522 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.786 7.320 1.278 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.558 5.964 1.386 1.00 0.00 C ATOM 866 OH TYR A 53 -6.619 5.087 1.361 1.00 0.00 O ATOM 0 H TYR A 53 -0.511 6.636 0.766 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.731 8.961 -0.599 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.701 8.564 2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.632 9.719 1.468 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.207 5.984 1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.900 9.257 1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.098 4.419 1.607 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.793 7.695 1.173 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.455 5.588 1.261 1.00 0.00 H new ATOM 876 N ARG A 54 -0.079 10.552 0.870 1.00 0.00 N ATOM 877 CA ARG A 54 1.094 11.365 1.167 1.00 0.00 C ATOM 878 C ARG A 54 1.595 11.099 2.584 1.00 0.00 C ATOM 879 O ARG A 54 2.762 11.336 2.895 1.00 0.00 O ATOM 880 CB ARG A 54 0.767 12.850 1.001 1.00 0.00 C ATOM 881 CG ARG A 54 -0.408 13.314 1.847 1.00 0.00 C ATOM 882 CD ARG A 54 -1.187 14.422 1.158 1.00 0.00 C ATOM 883 NE ARG A 54 -2.051 15.144 2.088 1.00 0.00 N ATOM 884 CZ ARG A 54 -1.602 16.022 2.977 1.00 0.00 C ATOM 885 NH1 ARG A 54 -0.305 16.287 3.056 1.00 0.00 N ATOM 886 NH2 ARG A 54 -2.451 16.639 3.790 1.00 0.00 N ATOM 0 H ARG A 54 -0.963 11.060 0.901 1.00 0.00 H new ATOM 0 HA ARG A 54 1.881 11.093 0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.647 13.438 1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.550 13.050 -0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.070 12.471 2.045 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.045 13.668 2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.490 15.120 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.792 13.996 0.358 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.054 14.964 2.053 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.351 15.816 2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.037 16.962 3.740 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.449 16.439 3.732 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.105 17.313 4.473 1.00 0.00 H new ATOM 900 N ASP A 55 0.705 10.607 3.438 1.00 0.00 N ATOM 901 CA ASP A 55 1.056 10.309 4.822 1.00 0.00 C ATOM 902 C ASP A 55 0.007 9.408 5.467 1.00 0.00 C ATOM 903 O ASP A 55 -1.023 9.111 4.864 1.00 0.00 O ATOM 904 CB ASP A 55 1.200 11.603 5.624 1.00 0.00 C ATOM 905 CG ASP A 55 0.209 12.666 5.191 1.00 0.00 C ATOM 906 OD1 ASP A 55 -0.920 12.301 4.802 1.00 0.00 O ATOM 907 OD2 ASP A 55 0.564 13.862 5.239 1.00 0.00 O ATOM 0 H ASP A 55 -0.265 10.406 3.197 1.00 0.00 H new ATOM 0 HA ASP A 55 2.010 9.783 4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.058 11.388 6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.214 11.987 5.509 1.00 0.00 H new ATOM 912 N GLU A 56 0.279 8.978 6.695 1.00 0.00 N ATOM 913 CA GLU A 56 -0.642 8.111 7.421 1.00 0.00 C ATOM 914 C GLU A 56 -1.973 8.815 7.668 1.00 0.00 C ATOM 915 O GLU A 56 -2.934 8.204 8.136 1.00 0.00 O ATOM 916 CB GLU A 56 -0.026 7.677 8.753 1.00 0.00 C ATOM 917 CG GLU A 56 0.302 8.837 9.677 1.00 0.00 C ATOM 918 CD GLU A 56 0.293 8.438 11.140 1.00 0.00 C ATOM 919 OE1 GLU A 56 -0.805 8.182 11.679 1.00 0.00 O ATOM 920 OE2 GLU A 56 1.383 8.381 11.746 1.00 0.00 O ATOM 0 H GLU A 56 1.128 9.215 7.207 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.827 7.228 6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.716 7.003 9.260 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.885 7.112 8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.283 9.236 9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.420 9.638 9.518 1.00 0.00 H new ATOM 927 N LYS A 57 -2.021 10.104 7.351 1.00 0.00 N ATOM 928 CA LYS A 57 -3.233 10.893 7.537 1.00 0.00 C ATOM 929 C LYS A 57 -4.319 10.463 6.556 1.00 0.00 C ATOM 930 O LYS A 57 -5.504 10.703 6.784 1.00 0.00 O ATOM 931 CB LYS A 57 -2.929 12.382 7.356 1.00 0.00 C ATOM 932 CG LYS A 57 -1.835 12.896 8.276 1.00 0.00 C ATOM 933 CD LYS A 57 -2.373 13.208 9.662 1.00 0.00 C ATOM 934 CE LYS A 57 -1.383 14.033 10.471 1.00 0.00 C ATOM 935 NZ LYS A 57 -1.812 14.179 11.890 1.00 0.00 N ATOM 0 H LYS A 57 -1.234 10.625 6.964 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.595 10.722 8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.636 12.561 6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.840 12.954 7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.042 12.152 8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.390 13.794 7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.314 13.750 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.589 12.278 10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.401 13.560 10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.278 15.020 10.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.112 14.747 12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.737 14.653 11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.887 13.239 12.328 1.00 0.00 H new ATOM 949 N GLU A 58 -3.906 9.825 5.465 1.00 0.00 N ATOM 950 CA GLU A 58 -4.845 9.360 4.451 1.00 0.00 C ATOM 951 C GLU A 58 -5.822 10.468 4.067 1.00 0.00 C ATOM 952 O GLU A 58 -7.037 10.279 4.110 1.00 0.00 O ATOM 953 CB GLU A 58 -5.615 8.139 4.958 1.00 0.00 C ATOM 954 CG GLU A 58 -4.853 6.833 4.806 1.00 0.00 C ATOM 955 CD GLU A 58 -5.597 5.652 5.398 1.00 0.00 C ATOM 956 OE1 GLU A 58 -6.401 5.033 4.670 1.00 0.00 O ATOM 957 OE2 GLU A 58 -5.375 5.347 6.588 1.00 0.00 O ATOM 0 H GLU A 58 -2.928 9.619 5.261 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.275 9.078 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.861 8.286 6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.558 8.065 4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.666 6.647 3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.881 6.925 5.290 1.00 0.00 H new ATOM 964 N GLU A 59 -5.280 11.623 3.692 1.00 0.00 N ATOM 965 CA GLU A 59 -6.104 12.761 3.301 1.00 0.00 C ATOM 966 C GLU A 59 -6.043 12.985 1.793 1.00 0.00 C ATOM 967 O GLU A 59 -5.449 13.955 1.323 1.00 0.00 O ATOM 968 CB GLU A 59 -5.649 14.024 4.035 1.00 0.00 C ATOM 969 CG GLU A 59 -5.914 13.987 5.531 1.00 0.00 C ATOM 970 CD GLU A 59 -6.128 15.369 6.119 1.00 0.00 C ATOM 971 OE1 GLU A 59 -6.843 16.176 5.490 1.00 0.00 O ATOM 972 OE2 GLU A 59 -5.581 15.642 7.208 1.00 0.00 O ATOM 0 H GLU A 59 -4.275 11.795 3.651 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.136 12.542 3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.582 14.167 3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.158 14.887 3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.793 13.373 5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.074 13.508 6.034 1.00 0.00 H new ATOM 979 N GLY A 60 -6.661 12.081 1.040 1.00 0.00 N ATOM 980 CA GLY A 60 -6.664 12.197 -0.407 1.00 0.00 C ATOM 981 C GLY A 60 -5.630 11.303 -1.062 1.00 0.00 C ATOM 982 O GLY A 60 -4.432 11.579 -0.999 1.00 0.00 O ATOM 0 H GLY A 60 -7.160 11.270 1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.653 11.942 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.473 13.233 -0.686 1.00 0.00 H new ATOM 986 N ILE A 61 -6.093 10.229 -1.692 1.00 0.00 N ATOM 987 CA ILE A 61 -5.199 9.292 -2.361 1.00 0.00 C ATOM 988 C ILE A 61 -4.501 9.949 -3.547 1.00 0.00 C ATOM 989 O ILE A 61 -5.145 10.572 -4.393 1.00 0.00 O ATOM 990 CB ILE A 61 -5.957 8.044 -2.853 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.442 7.214 -1.663 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.067 7.208 -3.761 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.433 6.135 -2.043 1.00 0.00 C ATOM 0 H ILE A 61 -7.082 9.986 -1.753 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.453 8.988 -1.626 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.826 8.367 -3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.582 6.752 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.902 7.878 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.616 6.330 -4.101 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.765 7.803 -4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.181 6.891 -3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.734 5.586 -1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.310 6.592 -2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.970 5.449 -2.752 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.182 9.805 -3.604 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.395 10.383 -4.689 1.00 0.00 C ATOM 1007 C LEU A 62 -2.542 9.562 -5.966 1.00 0.00 C ATOM 1008 O LEU A 62 -2.460 10.095 -7.071 1.00 0.00 O ATOM 1009 CB LEU A 62 -0.921 10.465 -4.288 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.641 10.684 -2.801 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.847 10.889 -2.562 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.436 11.872 -2.278 1.00 0.00 C ATOM 0 H LEU A 62 -2.634 9.293 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.769 11.388 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.429 9.543 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.458 11.277 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.956 9.794 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.027 11.043 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.394 10.008 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.188 11.762 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.224 12.013 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.152 12.770 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.501 11.685 -2.414 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.762 8.260 -5.804 1.00 0.00 N ATOM 1025 CA GLY A 63 -2.919 7.387 -6.953 1.00 0.00 C ATOM 1026 C GLY A 63 -3.226 5.956 -6.555 1.00 0.00 C ATOM 1027 O GLY A 63 -2.632 5.425 -5.617 1.00 0.00 O ATOM 0 H GLY A 63 -2.834 7.795 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.722 7.765 -7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.006 7.408 -7.549 1.00 0.00 H new ATOM 1031 N SER A 64 -4.157 5.332 -7.269 1.00 0.00 N ATOM 1032 CA SER A 64 -4.546 3.957 -6.982 1.00 0.00 C ATOM 1033 C SER A 64 -3.905 2.992 -7.976 1.00 0.00 C ATOM 1034 O SER A 64 -3.686 3.336 -9.138 1.00 0.00 O ATOM 1035 CB SER A 64 -6.069 3.815 -7.027 1.00 0.00 C ATOM 1036 OG SER A 64 -6.600 4.389 -8.209 1.00 0.00 O ATOM 0 H SER A 64 -4.656 5.757 -8.051 1.00 0.00 H new ATOM 0 HA SER A 64 -4.194 3.708 -5.981 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.341 2.761 -6.977 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.508 4.299 -6.155 1.00 0.00 H new ATOM 0 HG SER A 64 -7.574 4.284 -8.215 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.607 1.784 -7.510 1.00 0.00 N ATOM 1043 CA ILE A 65 -2.992 0.770 -8.357 1.00 0.00 C ATOM 1044 C ILE A 65 -3.815 -0.514 -8.363 1.00 0.00 C ATOM 1045 O ILE A 65 -4.062 -1.111 -7.314 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.559 0.445 -7.897 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.600 1.563 -8.312 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.107 -0.888 -8.473 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.762 1.465 -7.662 1.00 0.00 C ATOM 0 H ILE A 65 -3.781 1.484 -6.551 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.956 1.181 -9.366 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.551 0.370 -6.810 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.479 1.543 -9.395 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.046 2.525 -8.059 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.092 -1.103 -8.139 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.777 -1.678 -8.132 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.128 -0.840 -9.562 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.388 2.290 -8.003 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.653 1.516 -6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.228 0.519 -7.935 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.236 -0.934 -9.550 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.030 -2.150 -9.694 1.00 0.00 C ATOM 1063 C LEU A 66 -4.141 -3.388 -9.663 1.00 0.00 C ATOM 1064 O LEU A 66 -3.367 -3.633 -10.589 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.826 -2.111 -11.000 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.229 -1.509 -10.914 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.125 -2.369 -10.037 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.167 -0.085 -10.383 1.00 0.00 C ATOM 0 H LEU A 66 -4.041 -0.451 -10.427 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.723 -2.203 -8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.254 -1.544 -11.734 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.912 -3.129 -11.380 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.655 -1.482 -11.917 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.119 -1.925 -9.987 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.195 -3.371 -10.461 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.703 -2.428 -9.034 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.175 0.327 -10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.721 -0.087 -9.388 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.560 0.526 -11.051 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.259 -4.168 -8.594 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.467 -5.384 -8.443 1.00 0.00 C ATOM 1082 C LEU A 67 -3.916 -6.453 -9.435 1.00 0.00 C ATOM 1083 O LEU A 67 -3.105 -7.136 -10.059 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.582 -5.917 -7.014 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.576 -5.359 -6.007 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.848 -5.914 -4.617 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.153 -5.677 -6.441 1.00 0.00 C ATOM 0 H LEU A 67 -4.895 -3.980 -7.819 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.425 -5.138 -8.649 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.587 -5.706 -6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.474 -7.001 -7.042 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.690 -4.276 -5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.122 -5.506 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.854 -5.634 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.763 -7.001 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.451 -5.272 -5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.025 -6.758 -6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.962 -5.230 -7.416 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.241 -6.601 -9.585 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.829 -7.583 -10.501 1.00 0.00 C ATOM 1101 C PRO A 68 -5.188 -7.541 -11.885 1.00 0.00 C ATOM 1102 O PRO A 68 -5.217 -8.526 -12.622 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.298 -7.161 -10.579 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.558 -6.454 -9.294 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.267 -5.821 -8.873 1.00 0.00 C ATOM 0 HA PRO A 68 -5.683 -8.605 -10.151 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.477 -6.508 -11.433 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.952 -8.025 -10.695 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.335 -5.699 -9.419 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.911 -7.152 -8.535 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.230 -4.767 -9.149 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.130 -5.873 -7.793 1.00 0.00 H new ATOM 1113 N SER A 69 -4.610 -6.395 -12.230 1.00 0.00 N ATOM 1114 CA SER A 69 -3.966 -6.224 -13.526 1.00 0.00 C ATOM 1115 C SER A 69 -2.472 -6.522 -13.434 1.00 0.00 C ATOM 1116 O SER A 69 -1.828 -6.839 -14.434 1.00 0.00 O ATOM 1117 CB SER A 69 -4.182 -4.800 -14.043 1.00 0.00 C ATOM 1118 OG SER A 69 -5.543 -4.576 -14.364 1.00 0.00 O ATOM 0 H SER A 69 -4.575 -5.571 -11.630 1.00 0.00 H new ATOM 0 HA SER A 69 -4.418 -6.929 -14.224 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.860 -4.083 -13.288 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.564 -4.632 -14.925 1.00 0.00 H new ATOM 0 HG SER A 69 -5.655 -3.659 -14.690 1.00 0.00 H new ATOM 1124 N PHE A 70 -1.928 -6.419 -12.226 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.511 -6.676 -12.001 1.00 0.00 C ATOM 1126 C PHE A 70 -0.251 -8.169 -11.823 1.00 0.00 C ATOM 1127 O PHE A 70 -1.170 -8.941 -11.555 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.020 -5.911 -10.770 1.00 0.00 C ATOM 1129 CG PHE A 70 0.499 -4.537 -11.086 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.710 -4.373 -11.739 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.224 -3.410 -10.731 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.190 -3.110 -12.030 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.251 -2.145 -11.019 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.459 -1.995 -11.671 1.00 0.00 C ATOM 0 H PHE A 70 -2.448 -6.159 -11.388 1.00 0.00 H new ATOM 0 HA PHE A 70 0.038 -6.331 -12.877 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.838 -5.826 -10.055 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.769 -6.486 -10.285 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.285 -5.242 -12.024 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.170 -3.522 -10.223 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.136 -2.995 -12.538 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.322 -1.275 -10.735 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.831 -1.007 -11.900 1.00 0.00 H new ATOM 1144 N GLN A 71 1.009 -8.566 -11.974 1.00 0.00 N ATOM 1145 CA GLN A 71 1.390 -9.967 -11.831 1.00 0.00 C ATOM 1146 C GLN A 71 2.508 -10.124 -10.806 1.00 0.00 C ATOM 1147 O GLN A 71 3.654 -9.751 -11.061 1.00 0.00 O ATOM 1148 CB GLN A 71 1.833 -10.537 -13.179 1.00 0.00 C ATOM 1149 CG GLN A 71 2.851 -11.660 -13.060 1.00 0.00 C ATOM 1150 CD GLN A 71 2.977 -12.471 -14.334 1.00 0.00 C ATOM 1151 OE1 GLN A 71 1.979 -12.805 -14.972 1.00 0.00 O ATOM 1152 NE2 GLN A 71 4.209 -12.793 -14.712 1.00 0.00 N ATOM 0 H GLN A 71 1.782 -7.938 -12.195 1.00 0.00 H new ATOM 0 HA GLN A 71 0.519 -10.521 -11.480 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.958 -10.906 -13.713 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.259 -9.734 -13.781 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.823 -11.238 -12.805 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.565 -12.320 -12.241 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.008 -12.495 -14.153 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.356 -13.338 -15.562 1.00 0.00 H new ATOM 1161 N ILE A 72 2.169 -10.679 -9.647 1.00 0.00 N ATOM 1162 CA ILE A 72 3.145 -10.886 -8.585 1.00 0.00 C ATOM 1163 C ILE A 72 3.981 -12.135 -8.843 1.00 0.00 C ATOM 1164 O ILE A 72 3.466 -13.253 -8.832 1.00 0.00 O ATOM 1165 CB ILE A 72 2.462 -11.014 -7.210 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.240 -10.096 -7.136 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.446 -10.686 -6.098 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.540 -8.660 -7.503 1.00 0.00 C ATOM 0 H ILE A 72 1.226 -10.993 -9.420 1.00 0.00 H new ATOM 0 HA ILE A 72 3.795 -10.011 -8.579 1.00 0.00 H new ATOM 0 HB ILE A 72 2.128 -12.043 -7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.467 -10.479 -7.802 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.833 -10.127 -6.125 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.949 -10.781 -5.133 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.288 -11.377 -6.142 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.807 -9.665 -6.221 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.628 -8.067 -7.428 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.290 -8.259 -6.821 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.918 -8.617 -8.524 1.00 0.00 H new ATOM 1180 N ALA A 73 5.275 -11.937 -9.073 1.00 0.00 N ATOM 1181 CA ALA A 73 6.184 -13.047 -9.330 1.00 0.00 C ATOM 1182 C ALA A 73 7.545 -12.802 -8.688 1.00 0.00 C ATOM 1183 O ALA A 73 8.094 -11.702 -8.775 1.00 0.00 O ATOM 1184 CB ALA A 73 6.336 -13.270 -10.827 1.00 0.00 C ATOM 0 H ALA A 73 5.717 -11.018 -9.087 1.00 0.00 H new ATOM 0 HA ALA A 73 5.757 -13.945 -8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.018 -14.102 -11.004 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.363 -13.500 -11.261 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.736 -12.368 -11.290 1.00 0.00 H new ATOM 1190 N LEU A 74 8.085 -13.831 -8.045 1.00 0.00 N ATOM 1191 CA LEU A 74 9.384 -13.726 -7.388 1.00 0.00 C ATOM 1192 C LEU A 74 10.454 -13.258 -8.369 1.00 0.00 C ATOM 1193 O LEU A 74 10.543 -13.756 -9.492 1.00 0.00 O ATOM 1194 CB LEU A 74 9.782 -15.074 -6.785 1.00 0.00 C ATOM 1195 CG LEU A 74 9.214 -15.384 -5.400 1.00 0.00 C ATOM 1196 CD1 LEU A 74 10.020 -14.676 -4.322 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.748 -14.984 -5.322 1.00 0.00 C ATOM 0 H LEU A 74 7.644 -14.747 -7.964 1.00 0.00 H new ATOM 0 HA LEU A 74 9.302 -12.988 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.468 -15.862 -7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.870 -15.117 -6.727 1.00 0.00 H new ATOM 0 HG LEU A 74 9.285 -16.459 -5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.601 -14.908 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.056 -15.012 -4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.981 -13.599 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.361 -15.212 -4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.652 -13.915 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.179 -15.538 -6.069 1.00 0.00 H new ATOM 1209 N LEU A 75 11.266 -12.300 -7.937 1.00 0.00 N ATOM 1210 CA LEU A 75 12.334 -11.766 -8.776 1.00 0.00 C ATOM 1211 C LEU A 75 13.041 -12.884 -9.534 1.00 0.00 C ATOM 1212 O LEU A 75 12.905 -14.061 -9.198 1.00 0.00 O ATOM 1213 CB LEU A 75 13.343 -10.995 -7.922 1.00 0.00 C ATOM 1214 CG LEU A 75 12.808 -9.754 -7.208 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.953 -8.849 -6.780 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.836 -9.000 -8.105 1.00 0.00 C ATOM 0 H LEU A 75 11.206 -11.877 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 75 11.887 -11.086 -9.502 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.748 -11.674 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.173 -10.693 -8.560 1.00 0.00 H new ATOM 0 HG LEU A 75 12.273 -10.075 -6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.553 -7.971 -6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.611 -9.391 -6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.517 -8.536 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.465 -8.119 -7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.347 -8.691 -9.017 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.999 -9.649 -8.361 1.00 0.00 H new ATOM 1377 N TYR A 85 14.818 -10.495 -0.682 1.00 0.00 N ATOM 1378 CA TYR A 85 13.520 -10.670 -0.042 1.00 0.00 C ATOM 1379 C TYR A 85 12.493 -9.700 -0.616 1.00 0.00 C ATOM 1380 O TYR A 85 11.649 -9.172 0.107 1.00 0.00 O ATOM 1381 CB TYR A 85 13.642 -10.466 1.469 1.00 0.00 C ATOM 1382 CG TYR A 85 14.221 -11.658 2.197 1.00 0.00 C ATOM 1383 CD1 TYR A 85 15.298 -12.362 1.671 1.00 0.00 C ATOM 1384 CD2 TYR A 85 13.691 -12.082 3.409 1.00 0.00 C ATOM 1385 CE1 TYR A 85 15.830 -13.452 2.332 1.00 0.00 C ATOM 1386 CE2 TYR A 85 14.218 -13.171 4.077 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.287 -13.852 3.535 1.00 0.00 C ATOM 1388 OH TYR A 85 15.813 -14.938 4.197 1.00 0.00 O ATOM 0 HA TYR A 85 13.181 -11.687 -0.239 1.00 0.00 H new ATOM 0 HB2 TYR A 85 14.269 -9.595 1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.656 -10.245 1.878 1.00 0.00 H new ATOM 0 HD1 TYR A 85 15.726 -12.051 0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.853 -11.552 3.836 1.00 0.00 H new ATOM 0 HE1 TYR A 85 16.667 -13.988 1.909 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.794 -13.487 5.019 1.00 0.00 H new ATOM 0 HH TYR A 85 15.317 -15.086 5.029 1.00 0.00 H new ATOM 1398 N ALA A 86 12.571 -9.471 -1.923 1.00 0.00 N ATOM 1399 CA ALA A 86 11.648 -8.566 -2.597 1.00 0.00 C ATOM 1400 C ALA A 86 10.972 -9.252 -3.779 1.00 0.00 C ATOM 1401 O ALA A 86 11.359 -10.352 -4.175 1.00 0.00 O ATOM 1402 CB ALA A 86 12.378 -7.313 -3.058 1.00 0.00 C ATOM 0 H ALA A 86 13.264 -9.900 -2.536 1.00 0.00 H new ATOM 0 HA ALA A 86 10.874 -8.280 -1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.676 -6.647 -3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.808 -6.804 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.174 -7.589 -3.750 1.00 0.00 H new ATOM 1408 N PHE A 87 9.961 -8.597 -4.339 1.00 0.00 N ATOM 1409 CA PHE A 87 9.230 -9.145 -5.476 1.00 0.00 C ATOM 1410 C PHE A 87 9.008 -8.079 -6.545 1.00 0.00 C ATOM 1411 O PHE A 87 9.459 -6.941 -6.407 1.00 0.00 O ATOM 1412 CB PHE A 87 7.885 -9.713 -5.019 1.00 0.00 C ATOM 1413 CG PHE A 87 7.237 -8.912 -3.926 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.807 -8.849 -2.664 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.057 -8.225 -4.159 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.213 -8.112 -1.656 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.459 -7.487 -3.155 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.037 -7.432 -1.902 1.00 0.00 C ATOM 0 H PHE A 87 9.629 -7.685 -4.024 1.00 0.00 H new ATOM 0 HA PHE A 87 9.828 -9.948 -5.907 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.210 -9.760 -5.874 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.031 -10.736 -4.672 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.725 -9.382 -2.466 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.599 -8.266 -5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.668 -8.068 -0.678 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.540 -6.954 -3.350 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.570 -6.858 -1.116 1.00 0.00 H new ATOM 1428 N LYS A 88 8.310 -8.455 -7.611 1.00 0.00 N ATOM 1429 CA LYS A 88 8.026 -7.533 -8.704 1.00 0.00 C ATOM 1430 C LYS A 88 6.623 -7.762 -9.258 1.00 0.00 C ATOM 1431 O LYS A 88 6.101 -8.875 -9.210 1.00 0.00 O ATOM 1432 CB LYS A 88 9.059 -7.700 -9.820 1.00 0.00 C ATOM 1433 CG LYS A 88 8.990 -9.047 -10.517 1.00 0.00 C ATOM 1434 CD LYS A 88 9.494 -8.962 -11.948 1.00 0.00 C ATOM 1435 CE LYS A 88 8.829 -10.002 -12.836 1.00 0.00 C ATOM 1436 NZ LYS A 88 9.186 -9.817 -14.270 1.00 0.00 N ATOM 0 H LYS A 88 7.930 -9.393 -7.741 1.00 0.00 H new ATOM 0 HA LYS A 88 8.082 -6.517 -8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.915 -6.911 -10.558 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.057 -7.567 -9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.584 -9.775 -9.964 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.961 -9.407 -10.514 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.300 -7.966 -12.345 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.574 -9.106 -11.963 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.127 -10.999 -12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.747 -9.940 -12.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.713 -10.545 -14.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.879 -8.875 -14.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.216 -9.902 -14.385 1.00 0.00 H new ATOM 1450 N ALA A 89 6.019 -6.701 -9.783 1.00 0.00 N ATOM 1451 CA ALA A 89 4.678 -6.787 -10.349 1.00 0.00 C ATOM 1452 C ALA A 89 4.672 -6.362 -11.813 1.00 0.00 C ATOM 1453 O ALA A 89 5.016 -5.226 -12.141 1.00 0.00 O ATOM 1454 CB ALA A 89 3.710 -5.933 -9.545 1.00 0.00 C ATOM 0 H ALA A 89 6.437 -5.772 -9.828 1.00 0.00 H new ATOM 0 HA ALA A 89 4.355 -7.827 -10.299 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.713 -6.007 -9.979 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.684 -6.285 -8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.038 -4.894 -9.565 1.00 0.00 H new ATOM 1460 N ALA A 90 4.280 -7.280 -12.690 1.00 0.00 N ATOM 1461 CA ALA A 90 4.228 -6.999 -14.120 1.00 0.00 C ATOM 1462 C ALA A 90 2.846 -6.502 -14.531 1.00 0.00 C ATOM 1463 O ALA A 90 1.829 -6.979 -14.028 1.00 0.00 O ATOM 1464 CB ALA A 90 4.604 -8.240 -14.916 1.00 0.00 C ATOM 0 H ALA A 90 3.994 -8.225 -12.435 1.00 0.00 H new ATOM 0 HA ALA A 90 4.948 -6.210 -14.337 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.561 -8.016 -15.982 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.615 -8.550 -14.651 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.906 -9.045 -14.686 1.00 0.00 H new ATOM 1470 N HIS A 91 2.817 -5.541 -15.450 1.00 0.00 N ATOM 1471 CA HIS A 91 1.559 -4.980 -15.929 1.00 0.00 C ATOM 1472 C HIS A 91 1.558 -4.872 -17.451 1.00 0.00 C ATOM 1473 O HIS A 91 2.560 -4.521 -18.074 1.00 0.00 O ATOM 1474 CB HIS A 91 1.322 -3.603 -15.308 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.122 -3.209 -15.260 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -0.781 -2.631 -16.325 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.036 -3.313 -14.267 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.036 -2.396 -15.989 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.217 -2.802 -14.745 1.00 0.00 N ATOM 0 H HIS A 91 3.650 -5.135 -15.877 1.00 0.00 H new ATOM 0 HA HIS A 91 0.753 -5.649 -15.629 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.726 -3.595 -14.296 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.875 -2.856 -15.878 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.867 -3.722 -13.282 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.787 -1.948 -16.623 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.092 -2.745 -14.224 1.00 0.00 H new ATOM 1488 N PRO A 92 0.406 -5.181 -18.065 1.00 0.00 N ATOM 1489 CA PRO A 92 0.246 -5.127 -19.521 1.00 0.00 C ATOM 1490 C PRO A 92 0.147 -3.696 -20.041 1.00 0.00 C ATOM 1491 O PRO A 92 0.839 -3.320 -20.986 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.067 -5.875 -19.763 1.00 0.00 C ATOM 1493 CG PRO A 92 -1.843 -5.693 -18.504 1.00 0.00 C ATOM 1494 CD PRO A 92 -0.829 -5.607 -17.386 1.00 0.00 C ATOM 0 HA PRO A 92 1.101 -5.560 -20.040 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.602 -5.468 -20.621 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.889 -6.930 -19.970 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.449 -4.788 -18.549 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.526 -6.527 -18.345 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.134 -4.890 -16.623 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.701 -6.568 -16.887 1.00 0.00 H new ATOM 1502 N ASN A 93 -0.718 -2.903 -19.416 1.00 0.00 N ATOM 1503 CA ASN A 93 -0.907 -1.514 -19.815 1.00 0.00 C ATOM 1504 C ASN A 93 0.025 -0.591 -19.035 1.00 0.00 C ATOM 1505 O ASN A 93 -0.103 0.631 -19.094 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.361 -1.092 -19.596 1.00 0.00 C ATOM 1507 CG ASN A 93 -2.736 0.133 -20.407 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -2.685 0.117 -21.637 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -3.116 1.204 -19.720 1.00 0.00 N ATOM 0 H ASN A 93 -1.299 -3.199 -18.631 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.667 -1.431 -20.875 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.020 -1.918 -19.864 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.521 -0.887 -18.538 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.380 2.058 -20.211 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.144 1.173 -18.701 1.00 0.00 H new ATOM 1516 N MET A 94 0.962 -1.186 -18.305 1.00 0.00 N ATOM 1517 CA MET A 94 1.917 -0.418 -17.514 1.00 0.00 C ATOM 1518 C MET A 94 3.261 -1.135 -17.438 1.00 0.00 C ATOM 1519 O MET A 94 3.451 -2.184 -18.053 1.00 0.00 O ATOM 1520 CB MET A 94 1.371 -0.183 -16.104 1.00 0.00 C ATOM 1521 CG MET A 94 0.427 1.005 -16.009 1.00 0.00 C ATOM 1522 SD MET A 94 -0.762 0.841 -14.663 1.00 0.00 S ATOM 1523 CE MET A 94 0.336 0.624 -13.265 1.00 0.00 C ATOM 0 H MET A 94 1.081 -2.197 -18.244 1.00 0.00 H new ATOM 0 HA MET A 94 2.066 0.544 -18.004 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.848 -1.080 -15.771 1.00 0.00 H new ATOM 0 HB3 MET A 94 2.206 -0.029 -15.421 1.00 0.00 H new ATOM 0 HG2 MET A 94 1.009 1.916 -15.866 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.110 1.114 -16.951 1.00 0.00 H new ATOM 0 HE1 MET A 94 -0.241 0.316 -12.393 1.00 0.00 H new ATOM 0 HE2 MET A 94 1.076 -0.141 -13.499 1.00 0.00 H new ATOM 0 HE3 MET A 94 0.842 1.565 -13.051 1.00 0.00 H new ATOM 1533 N ARG A 95 4.191 -0.561 -16.681 1.00 0.00 N ATOM 1534 CA ARG A 95 5.518 -1.145 -16.527 1.00 0.00 C ATOM 1535 C ARG A 95 5.552 -2.113 -15.349 1.00 0.00 C ATOM 1536 O ARG A 95 4.546 -2.317 -14.668 1.00 0.00 O ATOM 1537 CB ARG A 95 6.562 -0.044 -16.327 1.00 0.00 C ATOM 1538 CG ARG A 95 6.287 0.845 -15.126 1.00 0.00 C ATOM 1539 CD ARG A 95 7.471 1.749 -14.820 1.00 0.00 C ATOM 1540 NE ARG A 95 7.448 2.971 -15.618 1.00 0.00 N ATOM 1541 CZ ARG A 95 8.433 3.863 -15.627 1.00 0.00 C ATOM 1542 NH1 ARG A 95 9.514 3.668 -14.885 1.00 0.00 N ATOM 1543 NH2 ARG A 95 8.338 4.951 -16.381 1.00 0.00 N ATOM 0 H ARG A 95 4.050 0.308 -16.165 1.00 0.00 H new ATOM 0 HA ARG A 95 5.753 -1.698 -17.436 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.544 -0.503 -16.211 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.602 0.574 -17.224 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.403 1.453 -15.317 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.066 0.226 -14.257 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.465 2.008 -13.761 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.398 1.209 -15.011 1.00 0.00 H new ATOM 0 HE ARG A 95 6.631 3.150 -16.201 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.591 2.832 -14.306 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.269 4.354 -14.893 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.508 5.103 -16.954 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.095 5.635 -16.387 1.00 0.00 H new ATOM 1557 N THR A 96 6.717 -2.709 -15.113 1.00 0.00 N ATOM 1558 CA THR A 96 6.882 -3.657 -14.018 1.00 0.00 C ATOM 1559 C THR A 96 7.331 -2.953 -12.743 1.00 0.00 C ATOM 1560 O THR A 96 8.379 -2.307 -12.715 1.00 0.00 O ATOM 1561 CB THR A 96 7.906 -4.752 -14.374 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.465 -5.480 -15.525 1.00 0.00 O ATOM 1563 CG2 THR A 96 8.102 -5.709 -13.207 1.00 0.00 C ATOM 0 H THR A 96 7.560 -2.552 -15.666 1.00 0.00 H new ATOM 0 HA THR A 96 5.909 -4.119 -13.850 1.00 0.00 H new ATOM 0 HB THR A 96 8.859 -4.270 -14.593 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.122 -6.173 -15.746 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.829 -6.473 -13.481 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.466 -5.157 -12.341 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.152 -6.183 -12.962 1.00 0.00 H new ATOM 1571 N TYR A 97 6.533 -3.081 -11.690 1.00 0.00 N ATOM 1572 CA TYR A 97 6.848 -2.454 -10.411 1.00 0.00 C ATOM 1573 C TYR A 97 7.724 -3.367 -9.558 1.00 0.00 C ATOM 1574 O TYR A 97 7.833 -4.565 -9.821 1.00 0.00 O ATOM 1575 CB TYR A 97 5.562 -2.113 -9.656 1.00 0.00 C ATOM 1576 CG TYR A 97 4.834 -0.911 -10.214 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.604 -0.784 -11.578 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.374 0.097 -9.376 1.00 0.00 C ATOM 1579 CE1 TYR A 97 3.940 0.313 -12.092 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.707 1.197 -9.881 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.493 1.300 -11.239 1.00 0.00 C ATOM 1582 OH TYR A 97 2.830 2.394 -11.747 1.00 0.00 O ATOM 0 H TYR A 97 5.663 -3.613 -11.696 1.00 0.00 H new ATOM 0 HA TYR A 97 7.399 -1.535 -10.612 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.896 -2.975 -9.682 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.803 -1.928 -8.609 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.950 -1.557 -12.249 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.540 0.020 -8.312 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.772 0.397 -13.156 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.355 1.972 -9.216 1.00 0.00 H new ATOM 0 HH TYR A 97 2.581 2.995 -11.014 1.00 0.00 H new ATOM 1592 N TYR A 98 8.347 -2.791 -8.536 1.00 0.00 N ATOM 1593 CA TYR A 98 9.216 -3.550 -7.645 1.00 0.00 C ATOM 1594 C TYR A 98 9.018 -3.121 -6.195 1.00 0.00 C ATOM 1595 O TYR A 98 9.099 -1.936 -5.869 1.00 0.00 O ATOM 1596 CB TYR A 98 10.681 -3.367 -8.047 1.00 0.00 C ATOM 1597 CG TYR A 98 11.098 -4.223 -9.221 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.634 -3.952 -10.503 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.955 -5.303 -9.049 1.00 0.00 C ATOM 1600 CE1 TYR A 98 11.012 -4.732 -11.579 1.00 0.00 C ATOM 1601 CE2 TYR A 98 12.339 -6.087 -10.120 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.865 -5.798 -11.382 1.00 0.00 C ATOM 1603 OH TYR A 98 12.245 -6.578 -12.450 1.00 0.00 O ATOM 0 H TYR A 98 8.266 -1.801 -8.304 1.00 0.00 H new ATOM 0 HA TYR A 98 8.951 -4.604 -7.733 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.853 -2.319 -8.293 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.316 -3.603 -7.193 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.967 -3.118 -10.661 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.327 -5.534 -8.062 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.642 -4.508 -12.569 1.00 0.00 H new ATOM 0 HE2 TYR A 98 13.007 -6.922 -9.969 1.00 0.00 H new ATOM 0 HH TYR A 98 12.848 -7.285 -12.140 1.00 0.00 H new ATOM 1613 N PHE A 99 8.758 -4.093 -5.327 1.00 0.00 N ATOM 1614 CA PHE A 99 8.547 -3.817 -3.910 1.00 0.00 C ATOM 1615 C PHE A 99 9.423 -4.718 -3.045 1.00 0.00 C ATOM 1616 O PHE A 99 9.707 -5.860 -3.408 1.00 0.00 O ATOM 1617 CB PHE A 99 7.074 -4.014 -3.544 1.00 0.00 C ATOM 1618 CG PHE A 99 6.123 -3.464 -4.568 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.788 -2.120 -4.570 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.564 -4.292 -5.529 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.913 -1.610 -5.512 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.690 -3.788 -6.473 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.363 -2.446 -6.464 1.00 0.00 C ATOM 0 H PHE A 99 8.688 -5.079 -5.580 1.00 0.00 H new ATOM 0 HA PHE A 99 8.825 -2.780 -3.722 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.879 -5.079 -3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.879 -3.535 -2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.215 -1.463 -3.827 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.814 -5.343 -5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.660 -0.560 -5.503 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.263 -4.443 -7.218 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.678 -2.051 -7.200 1.00 0.00 H new ATOM 1633 N CYS A 100 9.847 -4.197 -1.899 1.00 0.00 N ATOM 1634 CA CYS A 100 10.692 -4.953 -0.982 1.00 0.00 C ATOM 1635 C CYS A 100 10.347 -4.628 0.468 1.00 0.00 C ATOM 1636 O CYS A 100 9.700 -3.619 0.753 1.00 0.00 O ATOM 1637 CB CYS A 100 12.168 -4.650 -1.247 1.00 0.00 C ATOM 1638 SG CYS A 100 12.746 -3.100 -0.518 1.00 0.00 S ATOM 0 H CYS A 100 9.619 -3.254 -1.583 1.00 0.00 H new ATOM 0 HA CYS A 100 10.510 -6.014 -1.151 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.772 -5.470 -0.857 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.333 -4.616 -2.324 1.00 0.00 H new ATOM 0 HG CYS A 100 12.886 -2.207 -1.452 1.00 0.00 H new ATOM 1644 N THR A 101 10.781 -5.490 1.382 1.00 0.00 N ATOM 1645 CA THR A 101 10.516 -5.297 2.802 1.00 0.00 C ATOM 1646 C THR A 101 11.792 -5.436 3.624 1.00 0.00 C ATOM 1647 O THR A 101 12.876 -5.639 3.075 1.00 0.00 O ATOM 1648 CB THR A 101 9.472 -6.305 3.320 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.867 -7.638 2.979 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.099 -6.011 2.735 1.00 0.00 C ATOM 0 H THR A 101 11.318 -6.329 1.164 1.00 0.00 H new ATOM 0 HA THR A 101 10.123 -4.287 2.916 1.00 0.00 H new ATOM 0 HB THR A 101 9.415 -6.210 4.404 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.031 -8.150 3.798 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.379 -6.736 3.115 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.789 -5.006 3.022 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.144 -6.080 1.648 1.00 0.00 H new ATOM 1658 N ASP A 102 11.657 -5.328 4.941 1.00 0.00 N ATOM 1659 CA ASP A 102 12.800 -5.444 5.839 1.00 0.00 C ATOM 1660 C ASP A 102 13.164 -6.907 6.069 1.00 0.00 C ATOM 1661 O ASP A 102 14.340 -7.273 6.073 1.00 0.00 O ATOM 1662 CB ASP A 102 12.497 -4.764 7.175 1.00 0.00 C ATOM 1663 CG ASP A 102 12.830 -3.285 7.162 1.00 0.00 C ATOM 1664 OD1 ASP A 102 12.011 -2.498 6.644 1.00 0.00 O ATOM 1665 OD2 ASP A 102 13.910 -2.916 7.669 1.00 0.00 O ATOM 0 H ASP A 102 10.767 -5.160 5.411 1.00 0.00 H new ATOM 0 HA ASP A 102 13.650 -4.946 5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.441 -4.893 7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.065 -5.254 7.966 1.00 0.00 H new ATOM 1670 N THR A 103 12.147 -7.742 6.261 1.00 0.00 N ATOM 1671 CA THR A 103 12.360 -9.164 6.494 1.00 0.00 C ATOM 1672 C THR A 103 11.370 -10.006 5.697 1.00 0.00 C ATOM 1673 O THR A 103 10.483 -9.474 5.031 1.00 0.00 O ATOM 1674 CB THR A 103 12.227 -9.515 7.988 1.00 0.00 C ATOM 1675 OG1 THR A 103 10.922 -9.164 8.460 1.00 0.00 O ATOM 1676 CG2 THR A 103 13.281 -8.788 8.810 1.00 0.00 C ATOM 0 H THR A 103 11.168 -7.457 6.260 1.00 0.00 H new ATOM 0 HA THR A 103 13.374 -9.389 6.164 1.00 0.00 H new ATOM 0 HB THR A 103 12.377 -10.589 8.101 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.845 -9.392 9.410 1.00 0.00 H new ATOM 0 HG21 THR A 103 13.168 -9.051 9.862 1.00 0.00 H new ATOM 0 HG22 THR A 103 14.274 -9.080 8.468 1.00 0.00 H new ATOM 0 HG23 THR A 103 13.157 -7.712 8.690 1.00 0.00 H new ATOM 1684 N GLY A 104 11.528 -11.324 5.770 1.00 0.00 N ATOM 1685 CA GLY A 104 10.640 -12.219 5.050 1.00 0.00 C ATOM 1686 C GLY A 104 9.189 -12.040 5.450 1.00 0.00 C ATOM 1687 O GLY A 104 8.291 -12.124 4.611 1.00 0.00 O ATOM 0 H GLY A 104 12.255 -11.788 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.743 -12.044 3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.940 -13.250 5.235 1.00 0.00 H new ATOM 1691 N LYS A 105 8.957 -11.795 6.735 1.00 0.00 N ATOM 1692 CA LYS A 105 7.604 -11.604 7.246 1.00 0.00 C ATOM 1693 C LYS A 105 6.916 -10.440 6.541 1.00 0.00 C ATOM 1694 O LYS A 105 5.920 -10.627 5.842 1.00 0.00 O ATOM 1695 CB LYS A 105 7.638 -11.354 8.755 1.00 0.00 C ATOM 1696 CG LYS A 105 6.276 -11.042 9.350 1.00 0.00 C ATOM 1697 CD LYS A 105 5.389 -12.275 9.389 1.00 0.00 C ATOM 1698 CE LYS A 105 4.332 -12.168 10.477 1.00 0.00 C ATOM 1699 NZ LYS A 105 4.835 -12.659 11.789 1.00 0.00 N ATOM 0 H LYS A 105 9.689 -11.724 7.442 1.00 0.00 H new ATOM 0 HA LYS A 105 7.035 -12.512 7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.049 -12.233 9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.314 -10.525 8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.400 -10.650 10.359 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.791 -10.262 8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.905 -12.406 8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.002 -13.160 9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.016 -11.130 10.575 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.453 -12.743 10.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.085 -12.569 12.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.113 -13.657 11.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.659 -12.094 12.079 1.00 0.00 H new ATOM 1713 N GLU A 106 7.453 -9.239 6.730 1.00 0.00 N ATOM 1714 CA GLU A 106 6.889 -8.045 6.112 1.00 0.00 C ATOM 1715 C GLU A 106 6.561 -8.296 4.643 1.00 0.00 C ATOM 1716 O GLU A 106 5.742 -7.594 4.050 1.00 0.00 O ATOM 1717 CB GLU A 106 7.864 -6.871 6.234 1.00 0.00 C ATOM 1718 CG GLU A 106 7.808 -6.172 7.582 1.00 0.00 C ATOM 1719 CD GLU A 106 6.802 -5.037 7.609 1.00 0.00 C ATOM 1720 OE1 GLU A 106 5.722 -5.188 6.999 1.00 0.00 O ATOM 1721 OE2 GLU A 106 7.094 -3.999 8.239 1.00 0.00 O ATOM 0 H GLU A 106 8.277 -9.067 7.306 1.00 0.00 H new ATOM 0 HA GLU A 106 5.966 -7.798 6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.878 -7.232 6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.647 -6.146 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.552 -6.898 8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.796 -5.783 7.827 1.00 0.00 H new ATOM 1728 N MET A 107 7.206 -9.302 4.062 1.00 0.00 N ATOM 1729 CA MET A 107 6.982 -9.647 2.663 1.00 0.00 C ATOM 1730 C MET A 107 5.814 -10.618 2.522 1.00 0.00 C ATOM 1731 O MET A 107 4.930 -10.421 1.690 1.00 0.00 O ATOM 1732 CB MET A 107 8.247 -10.261 2.058 1.00 0.00 C ATOM 1733 CG MET A 107 8.006 -10.965 0.732 1.00 0.00 C ATOM 1734 SD MET A 107 9.471 -10.984 -0.319 1.00 0.00 S ATOM 1735 CE MET A 107 9.408 -12.656 -0.957 1.00 0.00 C ATOM 0 H MET A 107 7.888 -9.893 4.538 1.00 0.00 H new ATOM 0 HA MET A 107 6.737 -8.732 2.124 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.989 -9.476 1.914 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.670 -10.973 2.767 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.686 -11.990 0.922 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.191 -10.469 0.204 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.417 -12.995 -1.190 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.968 -13.315 -0.208 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.800 -12.678 -1.862 1.00 0.00 H new ATOM 1745 N GLU A 108 5.819 -11.665 3.341 1.00 0.00 N ATOM 1746 CA GLU A 108 4.759 -12.666 3.306 1.00 0.00 C ATOM 1747 C GLU A 108 3.402 -12.033 3.603 1.00 0.00 C ATOM 1748 O GLU A 108 2.367 -12.510 3.137 1.00 0.00 O ATOM 1749 CB GLU A 108 5.046 -13.780 4.315 1.00 0.00 C ATOM 1750 CG GLU A 108 4.559 -13.470 5.720 1.00 0.00 C ATOM 1751 CD GLU A 108 4.648 -14.667 6.646 1.00 0.00 C ATOM 1752 OE1 GLU A 108 5.416 -15.601 6.335 1.00 0.00 O ATOM 1753 OE2 GLU A 108 3.950 -14.670 7.682 1.00 0.00 O ATOM 0 H GLU A 108 6.544 -11.842 4.036 1.00 0.00 H new ATOM 0 HA GLU A 108 4.730 -13.092 2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.574 -14.700 3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.120 -13.964 4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.149 -12.652 6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.526 -13.127 5.675 1.00 0.00 H new ATOM 1760 N LEU A 109 3.416 -10.957 4.382 1.00 0.00 N ATOM 1761 CA LEU A 109 2.188 -10.257 4.742 1.00 0.00 C ATOM 1762 C LEU A 109 1.660 -9.442 3.566 1.00 0.00 C ATOM 1763 O LEU A 109 0.451 -9.270 3.410 1.00 0.00 O ATOM 1764 CB LEU A 109 2.432 -9.342 5.943 1.00 0.00 C ATOM 1765 CG LEU A 109 3.032 -10.008 7.183 1.00 0.00 C ATOM 1766 CD1 LEU A 109 3.260 -8.982 8.282 1.00 0.00 C ATOM 1767 CD2 LEU A 109 2.129 -11.129 7.676 1.00 0.00 C ATOM 0 H LEU A 109 4.264 -10.550 4.776 1.00 0.00 H new ATOM 0 HA LEU A 109 1.439 -11.003 5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.096 -8.536 5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.484 -8.884 6.224 1.00 0.00 H new ATOM 0 HG LEU A 109 3.996 -10.438 6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.687 -9.474 9.156 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.947 -8.214 7.926 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.310 -8.522 8.553 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.572 -11.591 8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.151 -10.722 7.932 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.017 -11.878 6.892 1.00 0.00 H new ATOM 1779 N TRP A 110 2.574 -8.943 2.742 1.00 0.00 N ATOM 1780 CA TRP A 110 2.200 -8.148 1.578 1.00 0.00 C ATOM 1781 C TRP A 110 1.816 -9.044 0.406 1.00 0.00 C ATOM 1782 O TRP A 110 0.829 -8.790 -0.284 1.00 0.00 O ATOM 1783 CB TRP A 110 3.352 -7.225 1.175 1.00 0.00 C ATOM 1784 CG TRP A 110 3.304 -5.886 1.847 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.285 -5.316 2.607 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.219 -4.953 1.822 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.875 -4.083 3.056 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.611 -3.837 2.587 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.955 -4.949 1.226 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.784 -2.733 2.771 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.135 -3.853 1.409 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.552 -2.756 2.176 1.00 0.00 C ATOM 0 H TRP A 110 3.579 -9.075 2.858 1.00 0.00 H new ATOM 0 HA TRP A 110 1.334 -7.542 1.846 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.298 -7.710 1.415 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.333 -7.082 0.095 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.242 -5.767 2.823 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.423 -3.454 3.643 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.625 -5.789 0.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.103 -1.888 3.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.844 -3.841 0.954 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.112 -1.913 2.300 1.00 0.00 H new ATOM 1803 N MET A 111 2.602 -10.093 0.187 1.00 0.00 N ATOM 1804 CA MET A 111 2.342 -11.028 -0.902 1.00 0.00 C ATOM 1805 C MET A 111 1.013 -11.747 -0.695 1.00 0.00 C ATOM 1806 O MET A 111 0.095 -11.625 -1.507 1.00 0.00 O ATOM 1807 CB MET A 111 3.476 -12.048 -1.009 1.00 0.00 C ATOM 1808 CG MET A 111 4.769 -11.465 -1.555 1.00 0.00 C ATOM 1809 SD MET A 111 5.892 -12.729 -2.181 1.00 0.00 S ATOM 1810 CE MET A 111 5.808 -12.413 -3.942 1.00 0.00 C ATOM 0 H MET A 111 3.424 -10.317 0.749 1.00 0.00 H new ATOM 0 HA MET A 111 2.287 -10.459 -1.830 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.666 -12.472 -0.023 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.157 -12.868 -1.652 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.537 -10.763 -2.355 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.268 -10.899 -0.769 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.808 -12.480 -4.372 1.00 0.00 H new ATOM 0 HE2 MET A 111 5.160 -13.152 -4.414 1.00 0.00 H new ATOM 0 HE3 MET A 111 5.405 -11.415 -4.114 1.00 0.00 H new ATOM 1820 N LYS A 112 0.915 -12.498 0.397 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.302 -13.237 0.712 1.00 0.00 C ATOM 1822 C LYS A 112 -1.540 -12.433 0.332 1.00 0.00 C ATOM 1823 O LYS A 112 -2.502 -12.976 -0.211 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.342 -13.582 2.203 1.00 0.00 C ATOM 1825 CG LYS A 112 0.572 -14.733 2.586 1.00 0.00 C ATOM 1826 CD LYS A 112 0.039 -16.061 2.076 1.00 0.00 C ATOM 1827 CE LYS A 112 -1.029 -16.625 3.000 1.00 0.00 C ATOM 1828 NZ LYS A 112 -0.475 -16.985 4.334 1.00 0.00 N ATOM 0 H LYS A 112 1.665 -12.611 1.079 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.298 -14.160 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.062 -12.700 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.365 -13.833 2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.568 -14.559 2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.674 -14.773 3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.376 -15.928 1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.859 -16.774 1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -1.826 -15.892 3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.476 -17.508 2.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -1.087 -17.695 4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.482 -17.376 4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.432 -16.136 4.933 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.509 -11.135 0.619 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.628 -10.256 0.303 1.00 0.00 C ATOM 1844 C ALA A 113 -2.622 -9.867 -1.171 1.00 0.00 C ATOM 1845 O ALA A 113 -3.562 -10.168 -1.906 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.585 -9.013 1.179 1.00 0.00 C ATOM 0 H ALA A 113 -0.721 -10.670 1.070 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.552 -10.798 0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.426 -8.365 0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.646 -9.305 2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.652 -8.478 1.005 1.00 0.00 H new ATOM 1852 N MET A 114 -1.557 -9.196 -1.597 1.00 0.00 N ATOM 1853 CA MET A 114 -1.429 -8.766 -2.985 1.00 0.00 C ATOM 1854 C MET A 114 -1.865 -9.874 -3.939 1.00 0.00 C ATOM 1855 O MET A 114 -2.752 -9.677 -4.771 1.00 0.00 O ATOM 1856 CB MET A 114 0.015 -8.359 -3.284 1.00 0.00 C ATOM 1857 CG MET A 114 0.391 -6.997 -2.723 1.00 0.00 C ATOM 1858 SD MET A 114 1.874 -6.316 -3.488 1.00 0.00 S ATOM 1859 CE MET A 114 2.522 -5.322 -2.146 1.00 0.00 C ATOM 0 H MET A 114 -0.770 -8.938 -1.001 1.00 0.00 H new ATOM 0 HA MET A 114 -2.080 -7.905 -3.134 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.688 -9.111 -2.872 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.166 -8.353 -4.363 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.439 -6.306 -2.870 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.548 -7.082 -1.648 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.610 -5.391 -2.134 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.226 -4.283 -2.287 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.125 -5.687 -1.199 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.237 -11.038 -3.814 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.560 -12.177 -4.666 1.00 0.00 C ATOM 1871 C LEU A 115 -3.063 -12.441 -4.675 1.00 0.00 C ATOM 1872 O LEU A 115 -3.641 -12.754 -5.716 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.815 -13.424 -4.188 1.00 0.00 C ATOM 1874 CG LEU A 115 0.571 -13.651 -4.793 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.485 -13.723 -6.310 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.528 -12.550 -4.363 1.00 0.00 C ATOM 0 H LEU A 115 -0.501 -11.218 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.245 -11.940 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.712 -13.368 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.431 -14.296 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 115 0.956 -14.602 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.480 -13.885 -6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.166 -14.548 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.079 -12.788 -6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.509 -12.728 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.149 -11.586 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.613 -12.546 -3.276 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.688 -12.310 -3.511 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.124 -12.531 -3.385 1.00 0.00 C ATOM 1890 C ASP A 116 -5.900 -11.605 -4.317 1.00 0.00 C ATOM 1891 O ASP A 116 -6.954 -11.971 -4.835 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.571 -12.311 -1.939 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.775 -13.155 -1.570 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -7.914 -12.689 -1.783 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -6.578 -14.282 -1.070 1.00 0.00 O ATOM 0 H ASP A 116 -3.223 -12.052 -2.641 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.334 -13.562 -3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.746 -12.547 -1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.811 -11.258 -1.792 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.371 -10.403 -4.523 1.00 0.00 N ATOM 1901 CA ALA A 117 -6.013 -9.425 -5.393 1.00 0.00 C ATOM 1902 C ALA A 117 -5.608 -9.634 -6.848 1.00 0.00 C ATOM 1903 O ALA A 117 -6.454 -9.659 -7.741 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.668 -8.013 -4.945 1.00 0.00 C ATOM 0 H ALA A 117 -4.500 -10.083 -4.099 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.092 -9.564 -5.320 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.154 -7.293 -5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.014 -7.861 -3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.588 -7.872 -4.987 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.308 -9.784 -7.079 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.791 -9.993 -8.426 1.00 0.00 C ATOM 1912 C ALA A 118 -4.458 -11.192 -9.091 1.00 0.00 C ATOM 1913 O ALA A 118 -5.011 -11.079 -10.186 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.281 -10.180 -8.389 1.00 0.00 C ATOM 0 H ALA A 118 -3.594 -9.765 -6.351 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.022 -9.108 -9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.909 -10.335 -9.402 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.815 -9.292 -7.963 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.037 -11.047 -7.776 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.403 -12.339 -8.424 1.00 0.00 N ATOM 1921 CA LEU A 119 -5.002 -13.560 -8.951 1.00 0.00 C ATOM 1922 C LEU A 119 -6.345 -13.266 -9.613 1.00 0.00 C ATOM 1923 O LEU A 119 -6.770 -13.980 -10.521 1.00 0.00 O ATOM 1924 CB LEU A 119 -5.186 -14.586 -7.831 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.469 -14.459 -7.009 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -7.584 -15.288 -7.627 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -6.223 -14.882 -5.568 1.00 0.00 C ATOM 0 H LEU A 119 -3.950 -12.449 -7.517 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.329 -13.970 -9.704 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.157 -15.583 -8.270 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.335 -14.511 -7.154 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.778 -13.414 -7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.489 -15.185 -7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.778 -14.938 -8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.285 -16.336 -7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.147 -14.785 -4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -5.890 -15.919 -5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.456 -14.245 -5.128 1.00 0.00 H new