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 94 MET CE :methyl 177:sc= -0.608 (180deg=-0.617) USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 69 SER OG : rot -1:sc= 0.533 USER MOD Set 2.2: A 91 HIS : no HD1:sc= -6.88! C(o=-6.3!,f=-22!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0.359 (180deg=0.331) 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 156:sc= -1.51 USER MOD Single : A 49 CYS SG : rot -3:sc= 0.0548 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 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= 0.0188 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,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= -0.0675 K(o=-0.068,f=-1.8!) 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 -102:sc= 0.479 USER MOD Single : A 101 THR OG1 : rot 123:sc= 0.14 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 (180deg=-0.197) USER MOD Single : A 111 MET CE :methyl -112:sc= -2.38! (180deg=-5.41!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -133:sc= -0.747 (180deg=-2.11!) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.383 -3.539 4.242 1.00 0.00 N ATOM 266 CA PRO A 20 -12.440 -4.005 5.263 1.00 0.00 C ATOM 267 C PRO A 20 -10.992 -3.929 4.793 1.00 0.00 C ATOM 268 O PRO A 20 -10.692 -4.191 3.627 1.00 0.00 O ATOM 269 CB PRO A 20 -12.853 -5.462 5.490 1.00 0.00 C ATOM 270 CG PRO A 20 -14.304 -5.501 5.152 1.00 0.00 C ATOM 271 CD PRO A 20 -14.536 -4.444 4.095 1.00 0.00 C ATOM 0 HA PRO A 20 -12.479 -3.392 6.163 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.280 -6.139 4.856 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.678 -5.767 6.522 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.588 -6.486 4.782 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.912 -5.304 6.035 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.578 -4.879 3.097 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.478 -3.920 4.254 1.00 0.00 H new ATOM 279 N VAL A 21 -10.095 -3.570 5.706 1.00 0.00 N ATOM 280 CA VAL A 21 -8.677 -3.461 5.384 1.00 0.00 C ATOM 281 C VAL A 21 -7.920 -4.714 5.808 1.00 0.00 C ATOM 282 O VAL A 21 -7.983 -5.130 6.965 1.00 0.00 O ATOM 283 CB VAL A 21 -8.040 -2.235 6.065 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.562 -2.139 5.717 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.774 -0.963 5.666 1.00 0.00 C ATOM 0 H VAL A 21 -10.325 -3.350 6.675 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.606 -3.345 4.303 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.127 -2.354 7.145 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.129 -1.267 6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.049 -3.039 6.057 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.448 -2.043 4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.311 -0.107 6.156 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.720 -0.835 4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.818 -1.035 5.971 1.00 0.00 H new ATOM 295 N VAL A 22 -7.203 -5.313 4.862 1.00 0.00 N ATOM 296 CA VAL A 22 -6.431 -6.519 5.137 1.00 0.00 C ATOM 297 C VAL A 22 -5.235 -6.215 6.032 1.00 0.00 C ATOM 298 O VAL A 22 -5.090 -6.794 7.109 1.00 0.00 O ATOM 299 CB VAL A 22 -5.931 -7.174 3.836 1.00 0.00 C ATOM 300 CG1 VAL A 22 -4.970 -8.312 4.145 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.104 -7.668 3.003 1.00 0.00 C ATOM 0 H VAL A 22 -7.141 -4.983 3.899 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.098 -7.211 5.651 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.393 -6.424 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.628 -8.762 3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.114 -7.925 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.479 -9.065 4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.732 -8.128 2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.672 -8.403 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.750 -6.827 2.750 1.00 0.00 H new ATOM 311 N ARG A 23 -4.382 -5.301 5.580 1.00 0.00 N ATOM 312 CA ARG A 23 -3.198 -4.920 6.340 1.00 0.00 C ATOM 313 C ARG A 23 -2.537 -3.686 5.733 1.00 0.00 C ATOM 314 O ARG A 23 -2.353 -3.602 4.518 1.00 0.00 O ATOM 315 CB ARG A 23 -2.199 -6.077 6.384 1.00 0.00 C ATOM 316 CG ARG A 23 -1.344 -6.096 7.641 1.00 0.00 C ATOM 317 CD ARG A 23 -0.319 -7.219 7.600 1.00 0.00 C ATOM 318 NE ARG A 23 0.006 -7.712 8.935 1.00 0.00 N ATOM 319 CZ ARG A 23 -0.802 -8.488 9.649 1.00 0.00 C ATOM 320 NH1 ARG A 23 -1.976 -8.857 9.158 1.00 0.00 N ATOM 321 NH2 ARG A 23 -0.435 -8.896 10.857 1.00 0.00 N ATOM 0 H ARG A 23 -4.489 -4.811 4.692 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.511 -4.681 7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.743 -7.019 6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.547 -6.017 5.512 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.833 -5.139 7.749 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.983 -6.217 8.516 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.704 -8.039 6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.589 -6.863 7.114 1.00 0.00 H new ATOM 0 HE ARG A 23 0.903 -7.446 9.342 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.261 -8.545 8.230 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.594 -9.453 9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.468 -8.614 11.238 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.056 -9.492 11.405 1.00 0.00 H new ATOM 335 N ARG A 24 -2.181 -2.731 6.586 1.00 0.00 N ATOM 336 CA ARG A 24 -1.542 -1.501 6.133 1.00 0.00 C ATOM 337 C ARG A 24 -0.193 -1.305 6.819 1.00 0.00 C ATOM 338 O ARG A 24 -0.079 -1.439 8.037 1.00 0.00 O ATOM 339 CB ARG A 24 -2.447 -0.299 6.410 1.00 0.00 C ATOM 340 CG ARG A 24 -3.345 -0.480 7.623 1.00 0.00 C ATOM 341 CD ARG A 24 -3.643 0.849 8.299 1.00 0.00 C ATOM 342 NE ARG A 24 -2.665 1.166 9.337 1.00 0.00 N ATOM 343 CZ ARG A 24 -2.841 2.121 10.244 1.00 0.00 C ATOM 344 NH1 ARG A 24 -3.950 2.847 10.242 1.00 0.00 N ATOM 345 NH2 ARG A 24 -1.905 2.349 11.157 1.00 0.00 N ATOM 0 H ARG A 24 -2.324 -2.785 7.594 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.376 -1.582 5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.827 0.586 6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.068 -0.112 5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.279 -0.952 7.318 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.866 -1.152 8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.649 1.643 7.552 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.640 0.817 8.738 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.801 0.625 9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.672 2.673 9.543 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.081 3.579 10.940 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.051 1.791 11.162 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.040 3.082 11.853 1.00 0.00 H new ATOM 359 N GLY A 25 0.827 -0.988 6.028 1.00 0.00 N ATOM 360 CA GLY A 25 2.155 -0.780 6.576 1.00 0.00 C ATOM 361 C GLY A 25 3.055 -0.004 5.636 1.00 0.00 C ATOM 362 O GLY A 25 2.882 -0.054 4.418 1.00 0.00 O ATOM 0 H GLY A 25 0.758 -0.871 5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.075 -0.244 7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.610 -1.746 6.795 1.00 0.00 H new ATOM 366 N TRP A 26 4.018 0.715 6.201 1.00 0.00 N ATOM 367 CA TRP A 26 4.949 1.506 5.403 1.00 0.00 C ATOM 368 C TRP A 26 5.757 0.615 4.466 1.00 0.00 C ATOM 369 O TRP A 26 6.748 0.006 4.873 1.00 0.00 O ATOM 370 CB TRP A 26 5.890 2.295 6.314 1.00 0.00 C ATOM 371 CG TRP A 26 5.267 3.534 6.883 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.750 3.690 8.137 1.00 0.00 C ATOM 373 CD2 TRP A 26 5.093 4.789 6.216 1.00 0.00 C ATOM 374 NE1 TRP A 26 4.265 4.967 8.291 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.464 5.661 7.127 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.409 5.262 4.940 1.00 0.00 C ATOM 377 CZ2 TRP A 26 4.146 6.976 6.799 1.00 0.00 C ATOM 378 CZ3 TRP A 26 5.092 6.567 4.616 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.467 7.413 5.542 1.00 0.00 C ATOM 0 H TRP A 26 4.175 0.767 7.208 1.00 0.00 H new ATOM 0 HA TRP A 26 4.369 2.204 4.799 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.215 1.652 7.132 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.782 2.571 5.751 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.726 2.923 8.897 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.828 5.338 9.135 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.893 4.619 4.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.663 7.629 7.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.330 6.942 3.632 1.00 0.00 H new ATOM 0 HH2 TRP A 26 4.234 8.429 5.259 1.00 0.00 H new ATOM 390 N LEU A 27 5.330 0.542 3.211 1.00 0.00 N ATOM 391 CA LEU A 27 6.015 -0.275 2.215 1.00 0.00 C ATOM 392 C LEU A 27 6.875 0.589 1.300 1.00 0.00 C ATOM 393 O LEU A 27 6.607 1.777 1.119 1.00 0.00 O ATOM 394 CB LEU A 27 4.998 -1.062 1.386 1.00 0.00 C ATOM 395 CG LEU A 27 5.579 -2.037 0.361 1.00 0.00 C ATOM 396 CD1 LEU A 27 6.123 -3.277 1.053 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.526 -2.417 -0.669 1.00 0.00 C ATOM 0 H LEU A 27 4.512 1.039 2.858 1.00 0.00 H new ATOM 0 HA LEU A 27 6.666 -0.974 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.358 -1.622 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.360 -0.352 0.861 1.00 0.00 H new ATOM 0 HG LEU A 27 6.402 -1.544 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.532 -3.959 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.909 -2.989 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.319 -3.773 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.957 -3.111 -1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.682 -2.891 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.184 -1.521 -1.187 1.00 0.00 H new ATOM 409 N TYR A 28 7.908 -0.015 0.723 1.00 0.00 N ATOM 410 CA TYR A 28 8.808 0.699 -0.175 1.00 0.00 C ATOM 411 C TYR A 28 8.550 0.310 -1.628 1.00 0.00 C ATOM 412 O TYR A 28 8.209 -0.834 -1.926 1.00 0.00 O ATOM 413 CB TYR A 28 10.264 0.409 0.192 1.00 0.00 C ATOM 414 CG TYR A 28 10.547 0.511 1.674 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.578 1.744 2.312 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.782 -0.627 2.436 1.00 0.00 C ATOM 417 CE1 TYR A 28 10.837 1.842 3.666 1.00 0.00 C ATOM 418 CE2 TYR A 28 11.040 -0.539 3.790 1.00 0.00 C ATOM 419 CZ TYR A 28 11.067 0.698 4.400 1.00 0.00 C ATOM 420 OH TYR A 28 11.324 0.790 5.749 1.00 0.00 O ATOM 0 H TYR A 28 8.143 -0.998 0.861 1.00 0.00 H new ATOM 0 HA TYR A 28 8.618 1.767 -0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.524 -0.593 -0.151 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.910 1.106 -0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.397 2.642 1.740 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.763 -1.597 1.961 1.00 0.00 H new ATOM 0 HE1 TYR A 28 10.859 2.809 4.146 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.220 -1.434 4.368 1.00 0.00 H new ATOM 0 HH TYR A 28 11.463 -0.107 6.118 1.00 0.00 H new ATOM 430 N LYS A 29 8.718 1.272 -2.529 1.00 0.00 N ATOM 431 CA LYS A 29 8.506 1.033 -3.952 1.00 0.00 C ATOM 432 C LYS A 29 9.700 1.519 -4.768 1.00 0.00 C ATOM 433 O LYS A 29 10.460 2.377 -4.321 1.00 0.00 O ATOM 434 CB LYS A 29 7.232 1.736 -4.424 1.00 0.00 C ATOM 435 CG LYS A 29 6.767 1.292 -5.800 1.00 0.00 C ATOM 436 CD LYS A 29 5.266 1.463 -5.964 1.00 0.00 C ATOM 437 CE LYS A 29 4.908 2.881 -6.382 1.00 0.00 C ATOM 438 NZ LYS A 29 5.290 3.156 -7.795 1.00 0.00 N ATOM 0 H LYS A 29 9.000 2.225 -2.299 1.00 0.00 H new ATOM 0 HA LYS A 29 8.398 -0.041 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.436 1.550 -3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.405 2.812 -4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.286 1.871 -6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.034 0.247 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.898 0.759 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.767 1.222 -5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.836 3.036 -6.259 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.411 3.591 -5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.925 4.088 -8.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.326 3.149 -7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.886 2.423 -8.413 1.00 0.00 H new ATOM 571 N TRP A 38 14.565 3.197 -3.585 1.00 0.00 N ATOM 572 CA TRP A 38 13.303 2.852 -2.941 1.00 0.00 C ATOM 573 C TRP A 38 12.758 4.031 -2.142 1.00 0.00 C ATOM 574 O TRP A 38 13.445 4.579 -1.279 1.00 0.00 O ATOM 575 CB TRP A 38 13.490 1.641 -2.024 1.00 0.00 C ATOM 576 CG TRP A 38 14.123 0.469 -2.710 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.459 0.217 -2.838 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.445 -0.610 -3.363 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.653 -0.953 -3.531 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.433 -1.480 -3.864 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.100 -0.927 -3.572 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.116 -2.643 -4.561 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.788 -2.082 -4.264 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.792 -2.929 -4.751 1.00 0.00 C ATOM 0 HA TRP A 38 12.583 2.602 -3.720 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.106 1.931 -1.173 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.520 1.341 -1.628 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.247 0.845 -2.451 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.558 -1.363 -3.760 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.319 -0.281 -3.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.889 -3.296 -4.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.752 -2.336 -4.432 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.515 -3.825 -5.287 1.00 0.00 H new ATOM 595 N LYS A 39 11.521 4.417 -2.434 1.00 0.00 N ATOM 596 CA LYS A 39 10.883 5.530 -1.742 1.00 0.00 C ATOM 597 C LYS A 39 9.934 5.026 -0.660 1.00 0.00 C ATOM 598 O LYS A 39 9.376 3.934 -0.767 1.00 0.00 O ATOM 599 CB LYS A 39 10.119 6.405 -2.738 1.00 0.00 C ATOM 600 CG LYS A 39 11.016 7.125 -3.730 1.00 0.00 C ATOM 601 CD LYS A 39 11.775 8.264 -3.071 1.00 0.00 C ATOM 602 CE LYS A 39 13.111 8.512 -3.753 1.00 0.00 C ATOM 603 NZ LYS A 39 14.045 9.278 -2.882 1.00 0.00 N ATOM 0 H LYS A 39 10.940 3.975 -3.146 1.00 0.00 H new ATOM 0 HA LYS A 39 11.663 6.126 -1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.411 5.783 -3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.535 7.143 -2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.723 6.417 -4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.413 7.515 -4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.173 9.172 -3.106 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.940 8.032 -2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.565 7.558 -4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.949 9.060 -4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.944 9.426 -3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.624 10.199 -2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.220 8.744 -2.007 1.00 0.00 H new ATOM 617 N LYS A 40 9.754 5.829 0.384 1.00 0.00 N ATOM 618 CA LYS A 40 8.871 5.467 1.486 1.00 0.00 C ATOM 619 C LYS A 40 7.487 6.081 1.298 1.00 0.00 C ATOM 620 O LYS A 40 7.331 7.302 1.324 1.00 0.00 O ATOM 621 CB LYS A 40 9.468 5.926 2.818 1.00 0.00 C ATOM 622 CG LYS A 40 8.608 5.583 4.021 1.00 0.00 C ATOM 623 CD LYS A 40 9.448 5.400 5.274 1.00 0.00 C ATOM 624 CE LYS A 40 8.724 4.557 6.312 1.00 0.00 C ATOM 625 NZ LYS A 40 9.460 4.518 7.606 1.00 0.00 N ATOM 0 H LYS A 40 10.209 6.736 0.489 1.00 0.00 H new ATOM 0 HA LYS A 40 8.770 4.382 1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.450 5.470 2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.619 7.005 2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.877 6.375 4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.048 4.669 3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.394 4.925 5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.688 6.375 5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.725 4.961 6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.600 3.542 5.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.934 3.934 8.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.405 4.110 7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.556 5.484 7.980 1.00 0.00 H new ATOM 639 N ARG A 41 6.486 5.227 1.111 1.00 0.00 N ATOM 640 CA ARG A 41 5.116 5.686 0.919 1.00 0.00 C ATOM 641 C ARG A 41 4.129 4.762 1.626 1.00 0.00 C ATOM 642 O ARG A 41 4.329 3.548 1.678 1.00 0.00 O ATOM 643 CB ARG A 41 4.784 5.760 -0.572 1.00 0.00 C ATOM 644 CG ARG A 41 5.098 7.108 -1.200 1.00 0.00 C ATOM 645 CD ARG A 41 3.986 8.113 -0.948 1.00 0.00 C ATOM 646 NE ARG A 41 4.346 9.453 -1.403 1.00 0.00 N ATOM 647 CZ ARG A 41 5.145 10.270 -0.724 1.00 0.00 C ATOM 648 NH1 ARG A 41 5.665 9.884 0.433 1.00 0.00 N ATOM 649 NH2 ARG A 41 5.426 11.475 -1.204 1.00 0.00 N ATOM 0 H ARG A 41 6.598 4.213 1.088 1.00 0.00 H new ATOM 0 HA ARG A 41 5.029 6.682 1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.341 4.985 -1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.725 5.542 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.034 7.490 -0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.243 6.986 -2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.080 7.787 -1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.757 8.141 0.117 1.00 0.00 H new ATOM 0 HE ARG A 41 3.964 9.780 -2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.452 8.958 0.804 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.278 10.513 0.952 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.029 11.775 -2.094 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.039 12.101 -0.682 1.00 0.00 H new ATOM 663 N TRP A 42 3.066 5.344 2.168 1.00 0.00 N ATOM 664 CA TRP A 42 2.048 4.572 2.873 1.00 0.00 C ATOM 665 C TRP A 42 1.254 3.705 1.903 1.00 0.00 C ATOM 666 O TRP A 42 0.787 4.182 0.868 1.00 0.00 O ATOM 667 CB TRP A 42 1.104 5.507 3.631 1.00 0.00 C ATOM 668 CG TRP A 42 0.245 4.798 4.634 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.116 4.850 4.730 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.690 3.932 5.684 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.544 4.069 5.776 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.455 3.494 6.377 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.945 3.483 6.105 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.381 2.631 7.467 1.00 0.00 C ATOM 675 CZ3 TRP A 42 2.017 2.626 7.187 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.860 2.207 7.857 1.00 0.00 C ATOM 0 H TRP A 42 2.886 6.347 2.133 1.00 0.00 H new ATOM 0 HA TRP A 42 2.551 3.919 3.586 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.692 6.270 4.141 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.464 6.024 2.916 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.761 5.421 4.079 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.515 3.938 6.059 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.842 3.800 5.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.271 2.308 7.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.981 2.273 7.522 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.950 1.536 8.698 1.00 0.00 H new ATOM 687 N PHE A 43 1.105 2.429 2.243 1.00 0.00 N ATOM 688 CA PHE A 43 0.367 1.495 1.400 1.00 0.00 C ATOM 689 C PHE A 43 -0.718 0.781 2.201 1.00 0.00 C ATOM 690 O PHE A 43 -0.492 0.355 3.333 1.00 0.00 O ATOM 691 CB PHE A 43 1.320 0.469 0.784 1.00 0.00 C ATOM 692 CG PHE A 43 2.039 0.974 -0.434 1.00 0.00 C ATOM 693 CD1 PHE A 43 1.467 0.858 -1.691 1.00 0.00 C ATOM 694 CD2 PHE A 43 3.287 1.567 -0.322 1.00 0.00 C ATOM 695 CE1 PHE A 43 2.127 1.321 -2.813 1.00 0.00 C ATOM 696 CE2 PHE A 43 3.951 2.033 -1.441 1.00 0.00 C ATOM 697 CZ PHE A 43 3.370 1.911 -2.688 1.00 0.00 C ATOM 0 H PHE A 43 1.485 2.018 3.096 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.110 2.063 0.601 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.055 0.172 1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.756 -0.425 0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.494 0.400 -1.795 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.746 1.666 0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.672 1.222 -3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.923 2.492 -1.340 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.886 2.276 -3.564 1.00 0.00 H new ATOM 707 N VAL A 44 -1.899 0.654 1.603 1.00 0.00 N ATOM 708 CA VAL A 44 -3.020 -0.008 2.259 1.00 0.00 C ATOM 709 C VAL A 44 -3.672 -1.031 1.335 1.00 0.00 C ATOM 710 O VAL A 44 -4.008 -0.724 0.190 1.00 0.00 O ATOM 711 CB VAL A 44 -4.085 1.008 2.713 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.351 0.292 3.158 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.540 1.887 3.829 1.00 0.00 C ATOM 0 H VAL A 44 -2.104 1.001 0.666 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.617 -0.517 3.135 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.336 1.647 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.092 1.026 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.750 -0.291 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.120 -0.373 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.305 2.599 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.260 1.264 4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.664 2.428 3.471 1.00 0.00 H new ATOM 723 N LEU A 45 -3.848 -2.247 1.838 1.00 0.00 N ATOM 724 CA LEU A 45 -4.460 -3.317 1.058 1.00 0.00 C ATOM 725 C LEU A 45 -5.934 -3.476 1.415 1.00 0.00 C ATOM 726 O LEU A 45 -6.276 -4.088 2.427 1.00 0.00 O ATOM 727 CB LEU A 45 -3.721 -4.635 1.295 1.00 0.00 C ATOM 728 CG LEU A 45 -3.767 -5.647 0.149 1.00 0.00 C ATOM 729 CD1 LEU A 45 -5.106 -6.367 0.127 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.509 -4.956 -1.182 1.00 0.00 C ATOM 0 H LEU A 45 -3.576 -2.517 2.783 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.387 -3.052 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.677 -4.409 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.137 -5.106 2.186 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.983 -6.387 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.121 -7.083 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.251 -6.894 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.907 -5.641 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.545 -5.691 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.271 -4.195 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.525 -4.487 -1.164 1.00 0.00 H new ATOM 742 N SER A 46 -6.804 -2.923 0.576 1.00 0.00 N ATOM 743 CA SER A 46 -8.242 -3.002 0.803 1.00 0.00 C ATOM 744 C SER A 46 -8.997 -3.096 -0.519 1.00 0.00 C ATOM 745 O SER A 46 -8.520 -2.627 -1.553 1.00 0.00 O ATOM 746 CB SER A 46 -8.723 -1.783 1.593 1.00 0.00 C ATOM 747 OG SER A 46 -7.721 -1.326 2.485 1.00 0.00 O ATOM 0 H SER A 46 -6.538 -2.415 -0.268 1.00 0.00 H new ATOM 0 HA SER A 46 -8.444 -3.904 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.994 -0.983 0.904 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.623 -2.040 2.152 1.00 0.00 H new ATOM 0 HG SER A 46 -7.868 -0.378 2.684 1.00 0.00 H new ATOM 753 N ASP A 47 -10.177 -3.703 -0.477 1.00 0.00 N ATOM 754 CA ASP A 47 -11.000 -3.858 -1.671 1.00 0.00 C ATOM 755 C ASP A 47 -10.215 -4.541 -2.787 1.00 0.00 C ATOM 756 O ASP A 47 -10.397 -4.233 -3.966 1.00 0.00 O ATOM 757 CB ASP A 47 -11.508 -2.496 -2.147 1.00 0.00 C ATOM 758 CG ASP A 47 -12.602 -2.618 -3.190 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.712 -3.065 -2.835 1.00 0.00 O ATOM 760 OD2 ASP A 47 -12.347 -2.268 -4.361 1.00 0.00 O ATOM 0 H ASP A 47 -10.586 -4.096 0.371 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.854 -4.486 -1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.885 -1.934 -1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.677 -1.926 -2.562 1.00 0.00 H new ATOM 765 N LEU A 48 -9.343 -5.468 -2.408 1.00 0.00 N ATOM 766 CA LEU A 48 -8.529 -6.194 -3.377 1.00 0.00 C ATOM 767 C LEU A 48 -7.801 -5.230 -4.309 1.00 0.00 C ATOM 768 O LEU A 48 -7.645 -5.501 -5.500 1.00 0.00 O ATOM 769 CB LEU A 48 -9.402 -7.148 -4.193 1.00 0.00 C ATOM 770 CG LEU A 48 -9.907 -8.391 -3.459 1.00 0.00 C ATOM 771 CD1 LEU A 48 -8.773 -9.379 -3.240 1.00 0.00 C ATOM 772 CD2 LEU A 48 -10.543 -8.004 -2.132 1.00 0.00 C ATOM 0 H LEU A 48 -9.181 -5.735 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.785 -6.771 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.265 -6.593 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.834 -7.472 -5.065 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.666 -8.872 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.151 -10.257 -2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.362 -9.680 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.991 -8.909 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.897 -8.901 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.805 -7.500 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.383 -7.334 -2.313 1.00 0.00 H new ATOM 784 N CYS A 49 -7.357 -4.106 -3.758 1.00 0.00 N ATOM 785 CA CYS A 49 -6.644 -3.101 -4.539 1.00 0.00 C ATOM 786 C CYS A 49 -5.586 -2.403 -3.691 1.00 0.00 C ATOM 787 O CYS A 49 -5.610 -2.480 -2.462 1.00 0.00 O ATOM 788 CB CYS A 49 -7.625 -2.072 -5.102 1.00 0.00 C ATOM 789 SG CYS A 49 -6.980 -1.126 -6.502 1.00 0.00 S ATOM 0 H CYS A 49 -7.478 -3.867 -2.774 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.145 -3.606 -5.366 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.535 -2.585 -5.413 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.905 -1.380 -4.308 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.743 -1.462 -6.720 1.00 0.00 H new ATOM 795 N LEU A 50 -4.658 -1.723 -4.354 1.00 0.00 N ATOM 796 CA LEU A 50 -3.589 -1.011 -3.662 1.00 0.00 C ATOM 797 C LEU A 50 -3.912 0.475 -3.544 1.00 0.00 C ATOM 798 O LEU A 50 -4.210 1.138 -4.538 1.00 0.00 O ATOM 799 CB LEU A 50 -2.263 -1.199 -4.399 1.00 0.00 C ATOM 800 CG LEU A 50 -1.422 -2.403 -3.973 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.201 -2.546 -4.868 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.005 -2.272 -2.515 1.00 0.00 C ATOM 0 H LEU A 50 -4.624 -1.649 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.501 -1.426 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.472 -1.287 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.665 -0.298 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.030 -3.302 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.385 -3.408 -4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.521 -2.687 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.410 -1.646 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.407 -3.137 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.415 -1.365 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.893 -2.220 -1.886 1.00 0.00 H new ATOM 814 N PHE A 51 -3.850 0.994 -2.322 1.00 0.00 N ATOM 815 CA PHE A 51 -4.134 2.402 -2.073 1.00 0.00 C ATOM 816 C PHE A 51 -3.053 3.030 -1.199 1.00 0.00 C ATOM 817 O PHE A 51 -2.756 2.537 -0.110 1.00 0.00 O ATOM 818 CB PHE A 51 -5.501 2.558 -1.404 1.00 0.00 C ATOM 819 CG PHE A 51 -6.649 2.143 -2.279 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.997 2.894 -3.390 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.379 1.001 -1.991 1.00 0.00 C ATOM 822 CE1 PHE A 51 -8.052 2.514 -4.199 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.435 0.616 -2.796 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.772 1.375 -3.900 1.00 0.00 C ATOM 0 H PHE A 51 -3.605 0.460 -1.488 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.145 2.919 -3.033 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.519 1.965 -0.490 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.636 3.599 -1.111 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.438 3.787 -3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.120 0.405 -1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.312 3.107 -5.063 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.996 -0.277 -2.562 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.598 1.077 -4.529 1.00 0.00 H new ATOM 834 N TYR A 52 -2.467 4.119 -1.683 1.00 0.00 N ATOM 835 CA TYR A 52 -1.416 4.813 -0.949 1.00 0.00 C ATOM 836 C TYR A 52 -1.728 6.301 -0.826 1.00 0.00 C ATOM 837 O TYR A 52 -2.510 6.849 -1.603 1.00 0.00 O ATOM 838 CB TYR A 52 -0.066 4.619 -1.642 1.00 0.00 C ATOM 839 CG TYR A 52 -0.094 4.937 -3.120 1.00 0.00 C ATOM 840 CD1 TYR A 52 0.069 6.240 -3.574 1.00 0.00 C ATOM 841 CD2 TYR A 52 -0.285 3.935 -4.063 1.00 0.00 C ATOM 842 CE1 TYR A 52 0.044 6.536 -4.923 1.00 0.00 C ATOM 843 CE2 TYR A 52 -0.310 4.220 -5.414 1.00 0.00 C ATOM 844 CZ TYR A 52 -0.146 5.522 -5.839 1.00 0.00 C ATOM 845 OH TYR A 52 -0.172 5.811 -7.185 1.00 0.00 O ATOM 0 H TYR A 52 -2.702 4.541 -2.581 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.367 4.387 0.053 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.677 5.252 -1.157 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.258 3.587 -1.507 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.218 7.036 -2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.416 2.915 -3.734 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.172 7.555 -5.258 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.457 3.428 -6.134 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.314 4.986 -7.694 1.00 0.00 H new ATOM 855 N TYR A 53 -1.112 6.949 0.156 1.00 0.00 N ATOM 856 CA TYR A 53 -1.324 8.373 0.384 1.00 0.00 C ATOM 857 C TYR A 53 0.000 9.088 0.635 1.00 0.00 C ATOM 858 O TYR A 53 1.067 8.476 0.590 1.00 0.00 O ATOM 859 CB TYR A 53 -2.265 8.587 1.571 1.00 0.00 C ATOM 860 CG TYR A 53 -3.405 7.595 1.625 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.164 6.238 1.805 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.724 8.015 1.499 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.203 5.329 1.854 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.769 7.112 1.549 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.503 5.770 1.727 1.00 0.00 C ATOM 866 OH TYR A 53 -6.540 4.868 1.777 1.00 0.00 O ATOM 0 H TYR A 53 -0.461 6.510 0.807 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.779 8.794 -0.512 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.692 8.520 2.496 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.674 9.596 1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.147 5.888 1.908 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.936 9.065 1.360 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.998 4.278 1.991 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.788 7.455 1.449 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.391 5.342 1.672 1.00 0.00 H new ATOM 876 N ARG A 54 -0.078 10.388 0.902 1.00 0.00 N ATOM 877 CA ARG A 54 1.113 11.188 1.160 1.00 0.00 C ATOM 878 C ARG A 54 1.827 10.708 2.420 1.00 0.00 C ATOM 879 O ARG A 54 3.049 10.811 2.530 1.00 0.00 O ATOM 880 CB ARG A 54 0.740 12.665 1.304 1.00 0.00 C ATOM 881 CG ARG A 54 -0.368 12.918 2.313 1.00 0.00 C ATOM 882 CD ARG A 54 -1.216 14.118 1.921 1.00 0.00 C ATOM 883 NE ARG A 54 -1.994 14.629 3.046 1.00 0.00 N ATOM 884 CZ ARG A 54 -1.487 15.405 3.998 1.00 0.00 C ATOM 885 NH1 ARG A 54 -0.209 15.757 3.960 1.00 0.00 N ATOM 886 NH2 ARG A 54 -2.259 15.831 4.989 1.00 0.00 N ATOM 0 H ARG A 54 -0.954 10.909 0.945 1.00 0.00 H new ATOM 0 HA ARG A 54 1.789 11.072 0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.625 13.227 1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.429 13.049 0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.001 12.034 2.390 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.067 13.085 3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.571 14.908 1.538 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.890 13.837 1.112 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.981 14.376 3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.387 15.432 3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.178 16.353 4.692 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.243 15.563 5.021 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.869 16.427 5.719 1.00 0.00 H new ATOM 900 N ASP A 55 1.057 10.184 3.367 1.00 0.00 N ATOM 901 CA ASP A 55 1.616 9.688 4.619 1.00 0.00 C ATOM 902 C ASP A 55 0.597 8.836 5.369 1.00 0.00 C ATOM 903 O ASP A 55 -0.534 8.663 4.916 1.00 0.00 O ATOM 904 CB ASP A 55 2.069 10.855 5.498 1.00 0.00 C ATOM 905 CG ASP A 55 3.078 10.431 6.548 1.00 0.00 C ATOM 906 OD1 ASP A 55 4.285 10.398 6.231 1.00 0.00 O ATOM 907 OD2 ASP A 55 2.660 10.131 7.686 1.00 0.00 O ATOM 0 H ASP A 55 0.044 10.092 3.292 1.00 0.00 H new ATOM 0 HA ASP A 55 2.479 9.066 4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.507 11.631 4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.201 11.295 5.989 1.00 0.00 H new ATOM 912 N GLU A 56 1.006 8.306 6.517 1.00 0.00 N ATOM 913 CA GLU A 56 0.129 7.470 7.329 1.00 0.00 C ATOM 914 C GLU A 56 -1.212 8.159 7.566 1.00 0.00 C ATOM 915 O GLU A 56 -2.245 7.503 7.705 1.00 0.00 O ATOM 916 CB GLU A 56 0.792 7.145 8.669 1.00 0.00 C ATOM 917 CG GLU A 56 0.665 8.258 9.696 1.00 0.00 C ATOM 918 CD GLU A 56 1.088 7.820 11.085 1.00 0.00 C ATOM 919 OE1 GLU A 56 2.256 7.408 11.245 1.00 0.00 O ATOM 920 OE2 GLU A 56 0.253 7.891 12.010 1.00 0.00 O ATOM 0 H GLU A 56 1.939 8.441 6.906 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.049 6.541 6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.347 6.236 9.074 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.848 6.936 8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.275 9.106 9.385 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.368 8.603 9.727 1.00 0.00 H new ATOM 927 N LYS A 57 -1.188 9.487 7.612 1.00 0.00 N ATOM 928 CA LYS A 57 -2.400 10.267 7.831 1.00 0.00 C ATOM 929 C LYS A 57 -3.529 9.786 6.925 1.00 0.00 C ATOM 930 O LYS A 57 -4.705 9.915 7.262 1.00 0.00 O ATOM 931 CB LYS A 57 -2.128 11.752 7.580 1.00 0.00 C ATOM 932 CG LYS A 57 -1.003 12.316 8.430 1.00 0.00 C ATOM 933 CD LYS A 57 -1.526 12.891 9.736 1.00 0.00 C ATOM 934 CE LYS A 57 -1.491 11.860 10.853 1.00 0.00 C ATOM 935 NZ LYS A 57 -0.131 11.727 11.444 1.00 0.00 N ATOM 0 H LYS A 57 -0.342 10.046 7.500 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.707 10.130 8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.884 11.895 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.039 12.318 7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.277 11.531 8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.479 13.093 7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.927 13.756 10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.548 13.243 9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.199 12.144 11.632 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.814 10.894 10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.150 11.015 12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.540 11.431 10.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.168 12.642 11.837 1.00 0.00 H new ATOM 949 N GLU A 58 -3.162 9.229 5.775 1.00 0.00 N ATOM 950 CA GLU A 58 -4.145 8.729 4.821 1.00 0.00 C ATOM 951 C GLU A 58 -5.130 9.826 4.429 1.00 0.00 C ATOM 952 O GLU A 58 -6.337 9.594 4.359 1.00 0.00 O ATOM 953 CB GLU A 58 -4.900 7.537 5.413 1.00 0.00 C ATOM 954 CG GLU A 58 -4.100 6.245 5.408 1.00 0.00 C ATOM 955 CD GLU A 58 -4.733 5.163 6.261 1.00 0.00 C ATOM 956 OE1 GLU A 58 -5.641 4.468 5.759 1.00 0.00 O ATOM 957 OE2 GLU A 58 -4.321 5.011 7.430 1.00 0.00 O ATOM 0 H GLU A 58 -2.192 9.113 5.482 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.614 8.406 3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.187 7.772 6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.821 7.386 4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.005 5.885 4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.092 6.445 5.771 1.00 0.00 H new ATOM 964 N GLU A 59 -4.606 11.021 4.175 1.00 0.00 N ATOM 965 CA GLU A 59 -5.440 12.154 3.791 1.00 0.00 C ATOM 966 C GLU A 59 -5.343 12.418 2.292 1.00 0.00 C ATOM 967 O GLU A 59 -4.427 13.096 1.828 1.00 0.00 O ATOM 968 CB GLU A 59 -5.027 13.405 4.569 1.00 0.00 C ATOM 969 CG GLU A 59 -5.625 13.480 5.964 1.00 0.00 C ATOM 970 CD GLU A 59 -5.205 14.730 6.712 1.00 0.00 C ATOM 971 OE1 GLU A 59 -5.656 15.830 6.329 1.00 0.00 O ATOM 972 OE2 GLU A 59 -4.425 14.609 7.680 1.00 0.00 O ATOM 0 H GLU A 59 -3.609 11.229 4.228 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.475 11.910 4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.940 13.432 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.328 14.288 4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.712 13.453 5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.322 12.601 6.533 1.00 0.00 H new ATOM 979 N GLY A 60 -6.294 11.875 1.538 1.00 0.00 N ATOM 980 CA GLY A 60 -6.298 12.062 0.099 1.00 0.00 C ATOM 981 C GLY A 60 -5.356 11.111 -0.612 1.00 0.00 C ATOM 982 O GLY A 60 -4.139 11.193 -0.446 1.00 0.00 O ATOM 0 H GLY A 60 -7.062 11.309 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.310 11.917 -0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.015 13.089 -0.132 1.00 0.00 H new ATOM 986 N ILE A 61 -5.920 10.204 -1.403 1.00 0.00 N ATOM 987 CA ILE A 61 -5.122 9.233 -2.141 1.00 0.00 C ATOM 988 C ILE A 61 -4.461 9.874 -3.356 1.00 0.00 C ATOM 989 O ILE A 61 -5.132 10.470 -4.200 1.00 0.00 O ATOM 990 CB ILE A 61 -5.976 8.039 -2.605 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.478 7.243 -1.398 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.174 7.145 -3.539 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.511 6.196 -1.752 1.00 0.00 C ATOM 0 H ILE A 61 -6.926 10.122 -1.549 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.351 8.874 -1.459 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.840 8.420 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.630 6.757 -0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.906 7.933 -0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.791 6.305 -3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.861 7.718 -4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.294 6.770 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.821 5.671 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.376 6.678 -2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.081 5.484 -2.456 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.141 9.746 -3.442 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.388 10.311 -4.556 1.00 0.00 C ATOM 1007 C LEU A 62 -2.629 9.515 -5.835 1.00 0.00 C ATOM 1008 O LEU A 62 -2.594 10.064 -6.935 1.00 0.00 O ATOM 1009 CB LEU A 62 -0.894 10.332 -4.229 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.533 10.508 -2.753 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.969 10.683 -2.589 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.278 11.695 -2.159 1.00 0.00 C ATOM 0 H LEU A 62 -2.570 9.256 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.733 11.333 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.452 9.400 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.430 11.140 -4.795 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.835 9.609 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.208 10.807 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.482 9.803 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.295 11.565 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.009 11.805 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.007 12.602 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.352 11.529 -2.243 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.875 8.217 -5.681 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.120 7.368 -6.832 1.00 0.00 C ATOM 1026 C GLY A 63 -3.400 5.930 -6.441 1.00 0.00 C ATOM 1027 O GLY A 63 -2.766 5.391 -5.534 1.00 0.00 O ATOM 0 H GLY A 63 -2.909 7.739 -4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.967 7.760 -7.395 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.255 7.400 -7.494 1.00 0.00 H new ATOM 1031 N SER A 64 -4.353 5.307 -7.127 1.00 0.00 N ATOM 1032 CA SER A 64 -4.719 3.924 -6.843 1.00 0.00 C ATOM 1033 C SER A 64 -4.041 2.971 -7.823 1.00 0.00 C ATOM 1034 O SER A 64 -3.725 3.346 -8.952 1.00 0.00 O ATOM 1035 CB SER A 64 -6.238 3.752 -6.914 1.00 0.00 C ATOM 1036 OG SER A 64 -6.776 4.428 -8.037 1.00 0.00 O ATOM 0 H SER A 64 -4.885 5.738 -7.883 1.00 0.00 H new ATOM 0 HA SER A 64 -4.380 3.683 -5.835 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.485 2.692 -6.971 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.694 4.136 -6.002 1.00 0.00 H new ATOM 0 HG SER A 64 -7.747 4.301 -8.061 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.822 1.737 -7.382 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.184 0.729 -8.219 1.00 0.00 C ATOM 1044 C ILE A 65 -3.976 -0.574 -8.213 1.00 0.00 C ATOM 1045 O ILE A 65 -4.245 -1.145 -7.156 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.743 0.442 -7.755 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.814 1.586 -8.168 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.254 -0.879 -8.331 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.536 1.543 -7.487 1.00 0.00 C ATOM 0 H ILE A 65 -4.077 1.411 -6.450 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.159 1.131 -9.232 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.735 0.367 -6.668 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.669 1.554 -9.248 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.297 2.536 -7.940 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.235 -1.068 -7.994 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.903 -1.686 -7.992 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.273 -0.831 -9.420 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.142 2.383 -7.827 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.401 1.606 -6.407 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.039 0.609 -7.735 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.348 -1.039 -9.401 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.109 -2.277 -9.533 1.00 0.00 C ATOM 1063 C LEU A 66 -4.187 -3.491 -9.479 1.00 0.00 C ATOM 1064 O LEU A 66 -3.341 -3.681 -10.354 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.895 -2.277 -10.846 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.312 -1.707 -10.779 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.206 -2.598 -9.930 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.292 -0.289 -10.228 1.00 0.00 C ATOM 0 H LEU A 66 -4.135 -0.578 -10.286 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.807 -2.337 -8.698 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.330 -1.708 -11.584 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.954 -3.302 -11.211 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.718 -1.676 -11.790 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.211 -2.177 -9.894 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.247 -3.595 -10.368 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.802 -2.661 -8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.309 0.100 -10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.866 -0.294 -9.225 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.687 0.345 -10.876 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.359 -4.312 -8.449 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.544 -5.510 -8.282 1.00 0.00 C ATOM 1082 C LEU A 67 -3.951 -6.589 -9.280 1.00 0.00 C ATOM 1083 O LEU A 67 -3.113 -7.251 -9.893 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.675 -6.045 -6.854 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.691 -5.474 -5.832 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.963 -6.051 -4.451 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.257 -5.756 -6.256 1.00 0.00 C ATOM 0 H LEU A 67 -5.055 -4.170 -7.717 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.504 -5.241 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.688 -5.846 -6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.554 -7.128 -6.880 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.829 -4.394 -5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.254 -5.634 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.978 -5.798 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.852 -7.135 -4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.571 -5.342 -5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.105 -6.833 -6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.067 -5.295 -7.225 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.269 -6.771 -9.450 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.818 -7.767 -10.376 1.00 0.00 C ATOM 1101 C PRO A 68 -5.159 -7.707 -11.749 1.00 0.00 C ATOM 1102 O PRO A 68 -5.134 -8.697 -12.480 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.296 -7.383 -10.474 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.593 -6.685 -9.192 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.325 -6.019 -8.753 1.00 0.00 C ATOM 0 HA PRO A 68 -5.651 -8.786 -10.026 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.480 -6.734 -11.330 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.926 -8.263 -10.600 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.387 -5.951 -9.327 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.938 -7.393 -8.438 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.312 -4.964 -9.028 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.202 -6.068 -7.671 1.00 0.00 H new ATOM 1113 N SER A 69 -4.625 -6.540 -12.094 1.00 0.00 N ATOM 1114 CA SER A 69 -3.968 -6.350 -13.382 1.00 0.00 C ATOM 1115 C SER A 69 -2.472 -6.626 -13.275 1.00 0.00 C ATOM 1116 O SER A 69 -1.816 -6.949 -14.265 1.00 0.00 O ATOM 1117 CB SER A 69 -4.200 -4.926 -13.892 1.00 0.00 C ATOM 1118 OG SER A 69 -3.803 -3.968 -12.927 1.00 0.00 O ATOM 0 H SER A 69 -4.634 -5.711 -11.499 1.00 0.00 H new ATOM 0 HA SER A 69 -4.401 -7.057 -14.090 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.640 -4.771 -14.814 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.254 -4.790 -14.132 1.00 0.00 H new ATOM 0 HG SER A 69 -3.475 -4.427 -12.126 1.00 0.00 H new ATOM 1124 N PHE A 70 -1.938 -6.496 -12.065 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.518 -6.730 -11.826 1.00 0.00 C ATOM 1126 C PHE A 70 -0.242 -8.214 -11.603 1.00 0.00 C ATOM 1127 O PHE A 70 -1.085 -8.940 -11.078 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.043 -5.924 -10.616 1.00 0.00 C ATOM 1129 CG PHE A 70 0.464 -4.555 -10.969 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.616 -4.401 -11.723 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.212 -3.421 -10.547 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.085 -3.143 -12.049 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.253 -2.160 -10.870 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.402 -2.021 -11.622 1.00 0.00 C ATOM 0 H PHE A 70 -2.467 -6.230 -11.235 1.00 0.00 H new ATOM 0 HA PHE A 70 0.032 -6.404 -12.709 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.866 -5.826 -9.909 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.749 -6.476 -10.110 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.154 -5.275 -12.060 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.112 -3.524 -9.959 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.985 -3.037 -12.637 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.282 -1.284 -10.534 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.766 -1.037 -11.876 1.00 0.00 H new ATOM 1144 N GLN A 71 0.945 -8.656 -12.008 1.00 0.00 N ATOM 1145 CA GLN A 71 1.332 -10.053 -11.854 1.00 0.00 C ATOM 1146 C GLN A 71 2.442 -10.199 -10.818 1.00 0.00 C ATOM 1147 O GLN A 71 3.582 -9.798 -11.055 1.00 0.00 O ATOM 1148 CB GLN A 71 1.791 -10.628 -13.195 1.00 0.00 C ATOM 1149 CG GLN A 71 2.810 -11.747 -13.060 1.00 0.00 C ATOM 1150 CD GLN A 71 2.973 -12.545 -14.339 1.00 0.00 C ATOM 1151 OE1 GLN A 71 3.990 -12.438 -15.026 1.00 0.00 O ATOM 1152 NE2 GLN A 71 1.970 -13.351 -14.666 1.00 0.00 N ATOM 0 H GLN A 71 1.654 -8.067 -12.445 1.00 0.00 H new ATOM 0 HA GLN A 71 0.461 -10.609 -11.508 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.922 -11.002 -13.737 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.221 -9.827 -13.796 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.773 -11.324 -12.775 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.505 -12.416 -12.255 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.146 -13.409 -14.068 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.023 -13.913 -15.516 1.00 0.00 H new ATOM 1161 N ILE A 72 2.101 -10.775 -9.670 1.00 0.00 N ATOM 1162 CA ILE A 72 3.070 -10.974 -8.599 1.00 0.00 C ATOM 1163 C ILE A 72 3.937 -12.201 -8.863 1.00 0.00 C ATOM 1164 O ILE A 72 3.439 -13.324 -8.923 1.00 0.00 O ATOM 1165 CB ILE A 72 2.375 -11.136 -7.235 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.141 -10.233 -7.156 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.343 -10.817 -6.106 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.435 -8.781 -7.459 1.00 0.00 C ATOM 0 H ILE A 72 1.162 -11.112 -9.458 1.00 0.00 H new ATOM 0 HA ILE A 72 3.700 -10.085 -8.574 1.00 0.00 H new ATOM 0 HB ILE A 72 2.052 -12.172 -7.129 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.389 -10.597 -7.856 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.710 -10.307 -6.158 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.837 -10.936 -5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.194 -11.496 -6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.693 -9.790 -6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.516 -8.200 -7.384 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.164 -8.400 -6.743 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.838 -8.694 -8.468 1.00 0.00 H new ATOM 1180 N ALA A 73 5.238 -11.976 -9.019 1.00 0.00 N ATOM 1181 CA ALA A 73 6.175 -13.063 -9.273 1.00 0.00 C ATOM 1182 C ALA A 73 7.549 -12.750 -8.690 1.00 0.00 C ATOM 1183 O ALA A 73 8.046 -11.630 -8.812 1.00 0.00 O ATOM 1184 CB ALA A 73 6.282 -13.330 -10.767 1.00 0.00 C ATOM 0 H ALA A 73 5.666 -11.051 -8.974 1.00 0.00 H new ATOM 0 HA ALA A 73 5.796 -13.959 -8.782 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.985 -14.144 -10.942 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.303 -13.606 -11.158 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.635 -12.431 -11.273 1.00 0.00 H new ATOM 1190 N LEU A 74 8.159 -13.746 -8.057 1.00 0.00 N ATOM 1191 CA LEU A 74 9.476 -13.577 -7.454 1.00 0.00 C ATOM 1192 C LEU A 74 10.478 -13.048 -8.475 1.00 0.00 C ATOM 1193 O LEU A 74 10.445 -13.426 -9.647 1.00 0.00 O ATOM 1194 CB LEU A 74 9.970 -14.905 -6.878 1.00 0.00 C ATOM 1195 CG LEU A 74 9.455 -15.266 -5.485 1.00 0.00 C ATOM 1196 CD1 LEU A 74 9.887 -14.219 -4.469 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.940 -15.408 -5.496 1.00 0.00 C ATOM 0 H LEU A 74 7.762 -14.679 -7.948 1.00 0.00 H new ATOM 0 HA LEU A 74 9.388 -12.849 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.689 -15.703 -7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.059 -14.881 -6.846 1.00 0.00 H new ATOM 0 HG LEU A 74 9.887 -16.224 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.511 -14.492 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.975 -14.166 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.484 -13.247 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.591 -15.665 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.488 -14.466 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.653 -16.195 -6.194 1.00 0.00 H new ATOM 1209 N LEU A 75 11.370 -12.173 -8.023 1.00 0.00 N ATOM 1210 CA LEU A 75 12.385 -11.594 -8.896 1.00 0.00 C ATOM 1211 C LEU A 75 13.198 -12.685 -9.585 1.00 0.00 C ATOM 1212 O LEU A 75 13.209 -13.836 -9.148 1.00 0.00 O ATOM 1213 CB LEU A 75 13.313 -10.679 -8.096 1.00 0.00 C ATOM 1214 CG LEU A 75 12.644 -9.503 -7.382 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.674 -8.688 -6.616 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.901 -8.626 -8.379 1.00 0.00 C ATOM 0 H LEU A 75 11.411 -11.849 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 75 11.878 -11.007 -9.661 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.832 -11.283 -7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.072 -10.284 -8.771 1.00 0.00 H new ATOM 0 HG LEU A 75 11.921 -9.899 -6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.180 -7.856 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.161 -9.321 -5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.421 -8.302 -7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.431 -7.795 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.603 -8.238 -9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.135 -9.216 -8.882 1.00 0.00 H new ATOM 1377 N TYR A 85 14.547 -10.502 -0.567 1.00 0.00 N ATOM 1378 CA TYR A 85 13.282 -10.403 0.149 1.00 0.00 C ATOM 1379 C TYR A 85 12.353 -9.395 -0.521 1.00 0.00 C ATOM 1380 O TYR A 85 11.588 -8.699 0.146 1.00 0.00 O ATOM 1381 CB TYR A 85 13.526 -9.998 1.604 1.00 0.00 C ATOM 1382 CG TYR A 85 14.176 -11.083 2.433 1.00 0.00 C ATOM 1383 CD1 TYR A 85 15.362 -11.679 2.025 1.00 0.00 C ATOM 1384 CD2 TYR A 85 13.603 -11.512 3.624 1.00 0.00 C ATOM 1385 CE1 TYR A 85 15.960 -12.671 2.779 1.00 0.00 C ATOM 1386 CE2 TYR A 85 14.194 -12.502 4.385 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.372 -13.078 3.958 1.00 0.00 C ATOM 1388 OH TYR A 85 15.963 -14.066 4.712 1.00 0.00 O ATOM 0 HA TYR A 85 12.804 -11.382 0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 85 14.157 -9.110 1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.575 -9.724 2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 85 15.825 -11.362 1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.680 -11.064 3.961 1.00 0.00 H new ATOM 0 HE1 TYR A 85 16.882 -13.125 2.447 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.736 -12.823 5.309 1.00 0.00 H new ATOM 0 HH TYR A 85 15.423 -14.234 5.512 1.00 0.00 H new ATOM 1398 N ALA A 86 12.427 -9.323 -1.846 1.00 0.00 N ATOM 1399 CA ALA A 86 11.592 -8.404 -2.609 1.00 0.00 C ATOM 1400 C ALA A 86 10.934 -9.110 -3.790 1.00 0.00 C ATOM 1401 O ALA A 86 11.274 -10.248 -4.113 1.00 0.00 O ATOM 1402 CB ALA A 86 12.416 -7.220 -3.093 1.00 0.00 C ATOM 0 H ALA A 86 13.057 -9.890 -2.413 1.00 0.00 H new ATOM 0 HA ALA A 86 10.803 -8.040 -1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.780 -6.542 -3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.834 -6.693 -2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.226 -7.576 -3.729 1.00 0.00 H new ATOM 1408 N PHE A 87 9.989 -8.429 -4.429 1.00 0.00 N ATOM 1409 CA PHE A 87 9.281 -8.992 -5.573 1.00 0.00 C ATOM 1410 C PHE A 87 9.031 -7.927 -6.636 1.00 0.00 C ATOM 1411 O PHE A 87 9.455 -6.779 -6.495 1.00 0.00 O ATOM 1412 CB PHE A 87 7.953 -9.605 -5.127 1.00 0.00 C ATOM 1413 CG PHE A 87 7.276 -8.835 -4.030 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.744 -8.901 -2.727 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.170 -8.044 -4.301 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.123 -8.193 -1.715 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.546 -7.334 -3.293 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.022 -7.409 -1.999 1.00 0.00 C ATOM 0 H PHE A 87 9.695 -7.486 -4.174 1.00 0.00 H new ATOM 0 HA PHE A 87 9.906 -9.773 -6.006 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.283 -9.665 -5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.129 -10.626 -4.788 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.604 -9.513 -2.500 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.792 -7.982 -5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.498 -8.253 -0.704 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.686 -6.720 -3.517 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.534 -6.856 -1.210 1.00 0.00 H new ATOM 1428 N LYS A 88 8.340 -8.314 -7.703 1.00 0.00 N ATOM 1429 CA LYS A 88 8.031 -7.395 -8.791 1.00 0.00 C ATOM 1430 C LYS A 88 6.668 -7.710 -9.400 1.00 0.00 C ATOM 1431 O LYS A 88 6.319 -8.875 -9.593 1.00 0.00 O ATOM 1432 CB LYS A 88 9.113 -7.467 -9.870 1.00 0.00 C ATOM 1433 CG LYS A 88 9.161 -8.802 -10.595 1.00 0.00 C ATOM 1434 CD LYS A 88 10.008 -8.722 -11.854 1.00 0.00 C ATOM 1435 CE LYS A 88 9.624 -9.803 -12.853 1.00 0.00 C ATOM 1436 NZ LYS A 88 10.595 -9.888 -13.979 1.00 0.00 N ATOM 0 H LYS A 88 7.983 -9.260 -7.837 1.00 0.00 H new ATOM 0 HA LYS A 88 8.001 -6.385 -8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.942 -6.674 -10.598 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.084 -7.276 -9.413 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.567 -9.564 -9.930 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.149 -9.113 -10.855 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.887 -7.741 -12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 88 11.061 -8.824 -11.592 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.573 -10.766 -12.344 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.629 -9.597 -13.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.298 -10.636 -14.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.626 -8.977 -14.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.540 -10.110 -13.606 1.00 0.00 H new ATOM 1450 N ALA A 89 5.904 -6.666 -9.702 1.00 0.00 N ATOM 1451 CA ALA A 89 4.582 -6.833 -10.293 1.00 0.00 C ATOM 1452 C ALA A 89 4.563 -6.353 -11.740 1.00 0.00 C ATOM 1453 O ALA A 89 4.839 -5.188 -12.022 1.00 0.00 O ATOM 1454 CB ALA A 89 3.540 -6.085 -9.474 1.00 0.00 C ATOM 0 H ALA A 89 6.178 -5.696 -9.547 1.00 0.00 H new ATOM 0 HA ALA A 89 4.340 -7.896 -10.287 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.557 -6.218 -9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.527 -6.476 -8.457 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.788 -5.024 -9.451 1.00 0.00 H new ATOM 1460 N ALA A 90 4.236 -7.261 -12.655 1.00 0.00 N ATOM 1461 CA ALA A 90 4.180 -6.930 -14.073 1.00 0.00 C ATOM 1462 C ALA A 90 2.776 -6.492 -14.480 1.00 0.00 C ATOM 1463 O ALA A 90 1.782 -7.004 -13.965 1.00 0.00 O ATOM 1464 CB ALA A 90 4.628 -8.118 -14.911 1.00 0.00 C ATOM 0 H ALA A 90 4.006 -8.231 -12.439 1.00 0.00 H new ATOM 0 HA ALA A 90 4.859 -6.096 -14.253 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.581 -7.856 -15.968 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.652 -8.383 -14.648 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.972 -8.967 -14.718 1.00 0.00 H new ATOM 1470 N HIS A 91 2.703 -5.542 -15.406 1.00 0.00 N ATOM 1471 CA HIS A 91 1.421 -5.036 -15.882 1.00 0.00 C ATOM 1472 C HIS A 91 1.366 -5.041 -17.407 1.00 0.00 C ATOM 1473 O HIS A 91 2.341 -4.722 -18.088 1.00 0.00 O ATOM 1474 CB HIS A 91 1.181 -3.620 -15.356 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.268 -3.249 -15.275 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -0.972 -2.724 -16.338 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.147 -3.332 -14.248 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.220 -2.498 -15.969 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.352 -2.859 -14.705 1.00 0.00 N ATOM 0 H HIS A 91 3.516 -5.107 -15.842 1.00 0.00 H new ATOM 0 HA HIS A 91 0.637 -5.693 -15.506 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.627 -3.529 -14.366 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.694 -2.909 -16.003 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.939 -3.701 -13.255 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.000 -2.088 -16.594 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.210 -2.796 -14.157 1.00 0.00 H new ATOM 1488 N PRO A 92 0.200 -5.411 -17.957 1.00 0.00 N ATOM 1489 CA PRO A 92 -0.009 -5.466 -19.407 1.00 0.00 C ATOM 1490 C PRO A 92 -0.125 -4.079 -20.029 1.00 0.00 C ATOM 1491 O PRO A 92 0.498 -3.793 -21.051 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.330 -6.227 -19.546 1.00 0.00 C ATOM 1493 CG PRO A 92 -2.061 -5.951 -18.277 1.00 0.00 C ATOM 1494 CD PRO A 92 -1.004 -5.803 -17.206 1.00 0.00 C ATOM 0 HA PRO A 92 0.827 -5.939 -19.922 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.896 -5.883 -20.412 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.159 -7.295 -19.680 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.659 -5.044 -18.362 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.747 -6.764 -18.038 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.281 -5.047 -16.471 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.851 -6.735 -16.662 1.00 0.00 H new ATOM 1502 N ASN A 93 -0.925 -3.221 -19.406 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.122 -1.863 -19.900 1.00 0.00 C ATOM 1504 C ASN A 93 -0.191 -0.885 -19.190 1.00 0.00 C ATOM 1505 O ASN A 93 -0.324 0.330 -19.333 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.578 -1.432 -19.703 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.471 -1.876 -20.845 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -3.012 -2.506 -21.798 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -4.754 -1.547 -20.754 1.00 0.00 N ATOM 0 H ASN A 93 -1.448 -3.441 -18.558 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.887 -1.853 -20.964 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.954 -1.848 -18.768 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.624 -0.347 -19.610 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.403 -1.817 -21.493 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.090 -1.024 -19.945 1.00 0.00 H new ATOM 1516 N MET A 94 0.752 -1.425 -18.424 1.00 0.00 N ATOM 1517 CA MET A 94 1.707 -0.600 -17.692 1.00 0.00 C ATOM 1518 C MET A 94 3.053 -1.306 -17.570 1.00 0.00 C ATOM 1519 O MET A 94 3.224 -2.424 -18.056 1.00 0.00 O ATOM 1520 CB MET A 94 1.164 -0.265 -16.302 1.00 0.00 C ATOM 1521 CG MET A 94 0.229 0.933 -16.286 1.00 0.00 C ATOM 1522 SD MET A 94 -0.960 0.868 -14.933 1.00 0.00 S ATOM 1523 CE MET A 94 0.119 0.507 -13.550 1.00 0.00 C ATOM 0 H MET A 94 0.875 -2.429 -18.294 1.00 0.00 H new ATOM 0 HA MET A 94 1.852 0.326 -18.249 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.635 -1.133 -15.909 1.00 0.00 H new ATOM 0 HB3 MET A 94 2.001 -0.071 -15.631 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.817 1.847 -16.204 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.307 0.983 -17.234 1.00 0.00 H new ATOM 0 HE1 MET A 94 -0.464 0.489 -12.629 1.00 0.00 H new ATOM 0 HE2 MET A 94 0.591 -0.464 -13.700 1.00 0.00 H new ATOM 0 HE3 MET A 94 0.888 1.276 -13.478 1.00 0.00 H new ATOM 1533 N ARG A 95 4.005 -0.647 -16.917 1.00 0.00 N ATOM 1534 CA ARG A 95 5.336 -1.212 -16.732 1.00 0.00 C ATOM 1535 C ARG A 95 5.361 -2.165 -15.541 1.00 0.00 C ATOM 1536 O ARG A 95 4.328 -2.441 -14.930 1.00 0.00 O ATOM 1537 CB ARG A 95 6.363 -0.097 -16.529 1.00 0.00 C ATOM 1538 CG ARG A 95 6.028 0.837 -15.377 1.00 0.00 C ATOM 1539 CD ARG A 95 7.075 1.928 -15.222 1.00 0.00 C ATOM 1540 NE ARG A 95 7.152 2.785 -16.402 1.00 0.00 N ATOM 1541 CZ ARG A 95 7.904 2.511 -17.462 1.00 0.00 C ATOM 1542 NH1 ARG A 95 8.640 1.408 -17.489 1.00 0.00 N ATOM 1543 NH2 ARG A 95 7.921 3.340 -18.498 1.00 0.00 N ATOM 0 H ARG A 95 3.879 0.279 -16.507 1.00 0.00 H new ATOM 0 HA ARG A 95 5.593 -1.774 -17.630 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.341 -0.544 -16.351 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.441 0.485 -17.447 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.051 1.290 -15.547 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.958 0.265 -14.452 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.839 2.535 -14.348 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.049 1.473 -15.041 1.00 0.00 H new ATOM 0 HE ARG A 95 6.598 3.641 -16.413 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.629 0.768 -16.695 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.217 1.200 -18.304 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.356 4.189 -18.481 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.499 3.128 -19.311 1.00 0.00 H new ATOM 1557 N THR A 96 6.549 -2.666 -15.215 1.00 0.00 N ATOM 1558 CA THR A 96 6.709 -3.589 -14.098 1.00 0.00 C ATOM 1559 C THR A 96 7.158 -2.856 -12.839 1.00 0.00 C ATOM 1560 O THR A 96 8.193 -2.188 -12.833 1.00 0.00 O ATOM 1561 CB THR A 96 7.730 -4.695 -14.426 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.315 -5.414 -15.593 1.00 0.00 O ATOM 1563 CG2 THR A 96 7.880 -5.656 -13.257 1.00 0.00 C ATOM 0 H THR A 96 7.414 -2.448 -15.709 1.00 0.00 H new ATOM 0 HA THR A 96 5.734 -4.044 -13.922 1.00 0.00 H new ATOM 0 HB THR A 96 8.695 -4.225 -14.614 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.970 -6.114 -15.796 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.606 -6.428 -13.512 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.224 -5.110 -12.379 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.917 -6.120 -13.041 1.00 0.00 H new ATOM 1571 N TYR A 97 6.374 -2.985 -11.775 1.00 0.00 N ATOM 1572 CA TYR A 97 6.690 -2.333 -10.509 1.00 0.00 C ATOM 1573 C TYR A 97 7.585 -3.219 -9.649 1.00 0.00 C ATOM 1574 O TYR A 97 7.773 -4.401 -9.940 1.00 0.00 O ATOM 1575 CB TYR A 97 5.406 -1.996 -9.750 1.00 0.00 C ATOM 1576 CG TYR A 97 4.689 -0.776 -10.285 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.623 -0.528 -11.650 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.077 0.126 -9.424 1.00 0.00 C ATOM 1579 CE1 TYR A 97 3.970 0.585 -12.143 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.420 1.241 -9.908 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.370 1.467 -11.268 1.00 0.00 C ATOM 1582 OH TYR A 97 2.717 2.576 -11.754 1.00 0.00 O ATOM 0 H TYR A 97 5.515 -3.535 -11.763 1.00 0.00 H new ATOM 0 HA TYR A 97 7.227 -1.410 -10.729 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.732 -2.852 -9.794 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.647 -1.834 -8.699 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.090 -1.217 -12.338 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.115 -0.047 -8.359 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.929 0.764 -13.207 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.948 1.932 -9.225 1.00 0.00 H new ATOM 0 HH TYR A 97 2.349 3.093 -11.007 1.00 0.00 H new ATOM 1592 N TYR A 98 8.134 -2.640 -8.587 1.00 0.00 N ATOM 1593 CA TYR A 98 9.011 -3.375 -7.683 1.00 0.00 C ATOM 1594 C TYR A 98 8.769 -2.963 -6.234 1.00 0.00 C ATOM 1595 O TYR A 98 8.595 -1.782 -5.933 1.00 0.00 O ATOM 1596 CB TYR A 98 10.476 -3.138 -8.055 1.00 0.00 C ATOM 1597 CG TYR A 98 10.940 -3.954 -9.240 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.450 -3.702 -10.516 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.867 -4.976 -9.084 1.00 0.00 C ATOM 1600 CE1 TYR A 98 10.870 -4.445 -11.602 1.00 0.00 C ATOM 1601 CE2 TYR A 98 12.294 -5.724 -10.165 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.793 -5.455 -11.421 1.00 0.00 C ATOM 1603 OH TYR A 98 12.215 -6.198 -12.500 1.00 0.00 O ATOM 0 H TYR A 98 7.987 -1.664 -8.331 1.00 0.00 H new ATOM 0 HA TYR A 98 8.785 -4.437 -7.782 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.620 -2.080 -8.275 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.103 -3.373 -7.195 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.728 -2.912 -10.661 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.261 -5.190 -8.101 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.479 -4.237 -12.587 1.00 0.00 H new ATOM 0 HE2 TYR A 98 13.016 -6.515 -10.027 1.00 0.00 H new ATOM 0 HH TYR A 98 12.866 -6.867 -12.202 1.00 0.00 H new ATOM 1613 N PHE A 99 8.760 -3.947 -5.340 1.00 0.00 N ATOM 1614 CA PHE A 99 8.539 -3.688 -3.922 1.00 0.00 C ATOM 1615 C PHE A 99 9.390 -4.618 -3.061 1.00 0.00 C ATOM 1616 O PHE A 99 9.516 -5.808 -3.351 1.00 0.00 O ATOM 1617 CB PHE A 99 7.060 -3.865 -3.574 1.00 0.00 C ATOM 1618 CG PHE A 99 6.129 -3.310 -4.614 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.897 -3.999 -5.794 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.486 -2.100 -4.412 1.00 0.00 C ATOM 1621 CE1 PHE A 99 5.042 -3.490 -6.752 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.629 -1.586 -5.367 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.406 -2.283 -6.538 1.00 0.00 C ATOM 0 H PHE A 99 8.903 -4.930 -5.572 1.00 0.00 H new ATOM 0 HA PHE A 99 8.833 -2.659 -3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.851 -4.926 -3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.859 -3.378 -2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.390 -4.944 -5.966 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.656 -1.552 -3.497 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.871 -4.036 -7.668 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.135 -0.641 -5.198 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.735 -1.885 -7.285 1.00 0.00 H new ATOM 1633 N CYS A 100 9.972 -4.065 -2.003 1.00 0.00 N ATOM 1634 CA CYS A 100 10.813 -4.843 -1.099 1.00 0.00 C ATOM 1635 C CYS A 100 10.459 -4.555 0.356 1.00 0.00 C ATOM 1636 O CYS A 100 9.819 -3.549 0.664 1.00 0.00 O ATOM 1637 CB CYS A 100 12.289 -4.532 -1.349 1.00 0.00 C ATOM 1638 SG CYS A 100 12.861 -2.999 -0.580 1.00 0.00 S ATOM 0 H CYS A 100 9.877 -3.082 -1.750 1.00 0.00 H new ATOM 0 HA CYS A 100 10.634 -5.900 -1.295 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.892 -5.360 -0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.460 -4.472 -2.424 1.00 0.00 H new ATOM 0 HG CYS A 100 12.947 -2.067 -1.482 1.00 0.00 H new ATOM 1644 N THR A 101 10.877 -5.447 1.249 1.00 0.00 N ATOM 1645 CA THR A 101 10.602 -5.291 2.672 1.00 0.00 C ATOM 1646 C THR A 101 11.882 -5.392 3.493 1.00 0.00 C ATOM 1647 O THR A 101 12.978 -5.499 2.943 1.00 0.00 O ATOM 1648 CB THR A 101 9.601 -6.350 3.170 1.00 0.00 C ATOM 1649 OG1 THR A 101 10.084 -7.663 2.865 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.235 -6.145 2.532 1.00 0.00 C ATOM 0 H THR A 101 11.407 -6.285 1.012 1.00 0.00 H new ATOM 0 HA THR A 101 10.167 -4.300 2.803 1.00 0.00 H new ATOM 0 HB THR A 101 9.500 -6.243 4.250 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.154 -8.186 3.691 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.544 -6.905 2.899 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.857 -5.156 2.791 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.323 -6.228 1.449 1.00 0.00 H new ATOM 1658 N ASP A 102 11.736 -5.359 4.813 1.00 0.00 N ATOM 1659 CA ASP A 102 12.881 -5.449 5.712 1.00 0.00 C ATOM 1660 C ASP A 102 13.155 -6.899 6.100 1.00 0.00 C ATOM 1661 O ASP A 102 14.307 -7.328 6.170 1.00 0.00 O ATOM 1662 CB ASP A 102 12.639 -4.609 6.967 1.00 0.00 C ATOM 1663 CG ASP A 102 12.143 -3.214 6.643 1.00 0.00 C ATOM 1664 OD1 ASP A 102 10.961 -3.079 6.263 1.00 0.00 O ATOM 1665 OD2 ASP A 102 12.936 -2.257 6.768 1.00 0.00 O ATOM 0 H ASP A 102 10.836 -5.271 5.284 1.00 0.00 H new ATOM 0 HA ASP A 102 13.754 -5.061 5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.910 -5.112 7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.565 -4.539 7.538 1.00 0.00 H new ATOM 1670 N THR A 103 12.087 -7.650 6.353 1.00 0.00 N ATOM 1671 CA THR A 103 12.212 -9.051 6.736 1.00 0.00 C ATOM 1672 C THR A 103 11.283 -9.932 5.909 1.00 0.00 C ATOM 1673 O THR A 103 10.429 -9.435 5.176 1.00 0.00 O ATOM 1674 CB THR A 103 11.897 -9.254 8.230 1.00 0.00 C ATOM 1675 OG1 THR A 103 10.563 -8.818 8.514 1.00 0.00 O ATOM 1676 CG2 THR A 103 12.883 -8.488 9.100 1.00 0.00 C ATOM 0 H THR A 103 11.126 -7.311 6.300 1.00 0.00 H new ATOM 0 HA THR A 103 13.246 -9.340 6.547 1.00 0.00 H new ATOM 0 HB THR A 103 11.987 -10.317 8.456 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.371 -8.952 9.465 1.00 0.00 H new ATOM 0 HG21 THR A 103 12.641 -8.647 10.151 1.00 0.00 H new ATOM 0 HG22 THR A 103 13.894 -8.844 8.903 1.00 0.00 H new ATOM 0 HG23 THR A 103 12.821 -7.424 8.870 1.00 0.00 H new ATOM 1684 N GLY A 104 11.455 -11.245 6.031 1.00 0.00 N ATOM 1685 CA GLY A 104 10.624 -12.174 5.289 1.00 0.00 C ATOM 1686 C GLY A 104 9.145 -11.954 5.535 1.00 0.00 C ATOM 1687 O GLY A 104 8.350 -11.916 4.595 1.00 0.00 O ATOM 0 H GLY A 104 12.155 -11.681 6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.831 -12.071 4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.887 -13.194 5.567 1.00 0.00 H new ATOM 1691 N LYS A 105 8.772 -11.809 6.802 1.00 0.00 N ATOM 1692 CA LYS A 105 7.379 -11.591 7.171 1.00 0.00 C ATOM 1693 C LYS A 105 6.791 -10.412 6.402 1.00 0.00 C ATOM 1694 O LYS A 105 5.877 -10.579 5.596 1.00 0.00 O ATOM 1695 CB LYS A 105 7.260 -11.342 8.676 1.00 0.00 C ATOM 1696 CG LYS A 105 5.942 -10.709 9.086 1.00 0.00 C ATOM 1697 CD LYS A 105 4.798 -11.705 9.012 1.00 0.00 C ATOM 1698 CE LYS A 105 5.084 -12.946 9.844 1.00 0.00 C ATOM 1699 NZ LYS A 105 3.831 -13.602 10.310 1.00 0.00 N ATOM 0 H LYS A 105 9.417 -11.839 7.592 1.00 0.00 H new ATOM 0 HA LYS A 105 6.817 -12.488 6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.378 -12.289 9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.078 -10.696 8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.024 -10.322 10.102 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.728 -9.859 8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.880 -11.233 9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.631 -11.992 7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.666 -13.653 9.253 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.693 -12.673 10.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.068 -14.443 10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.287 -12.936 10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.261 -13.886 9.488 1.00 0.00 H new ATOM 1713 N GLU A 106 7.322 -9.220 6.658 1.00 0.00 N ATOM 1714 CA GLU A 106 6.849 -8.014 5.989 1.00 0.00 C ATOM 1715 C GLU A 106 6.562 -8.286 4.515 1.00 0.00 C ATOM 1716 O GLU A 106 5.733 -7.617 3.900 1.00 0.00 O ATOM 1717 CB GLU A 106 7.882 -6.893 6.120 1.00 0.00 C ATOM 1718 CG GLU A 106 7.751 -6.091 7.403 1.00 0.00 C ATOM 1719 CD GLU A 106 8.380 -4.715 7.299 1.00 0.00 C ATOM 1720 OE1 GLU A 106 7.949 -3.930 6.429 1.00 0.00 O ATOM 1721 OE2 GLU A 106 9.305 -4.424 8.086 1.00 0.00 O ATOM 0 H GLU A 106 8.079 -9.064 7.323 1.00 0.00 H new ATOM 0 HA GLU A 106 5.922 -7.702 6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.882 -7.324 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.784 -6.219 5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.696 -5.986 7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.220 -6.640 8.219 1.00 0.00 H new ATOM 1728 N MET A 107 7.254 -9.273 3.956 1.00 0.00 N ATOM 1729 CA MET A 107 7.074 -9.635 2.555 1.00 0.00 C ATOM 1730 C MET A 107 5.941 -10.644 2.396 1.00 0.00 C ATOM 1731 O MET A 107 5.146 -10.555 1.461 1.00 0.00 O ATOM 1732 CB MET A 107 8.370 -10.212 1.983 1.00 0.00 C ATOM 1733 CG MET A 107 8.156 -11.107 0.774 1.00 0.00 C ATOM 1734 SD MET A 107 9.553 -11.080 -0.367 1.00 0.00 S ATOM 1735 CE MET A 107 9.702 -12.820 -0.761 1.00 0.00 C ATOM 0 H MET A 107 7.945 -9.837 4.452 1.00 0.00 H new ATOM 0 HA MET A 107 6.813 -8.732 2.003 1.00 0.00 H new ATOM 0 HB2 MET A 107 9.031 -9.392 1.705 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.879 -10.782 2.761 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.986 -12.130 1.110 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.256 -10.790 0.247 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.130 -12.932 -1.757 1.00 0.00 H new ATOM 0 HE2 MET A 107 10.351 -13.304 -0.031 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.716 -13.285 -0.735 1.00 0.00 H new ATOM 1745 N GLU A 108 5.875 -11.603 3.314 1.00 0.00 N ATOM 1746 CA GLU A 108 4.840 -12.629 3.273 1.00 0.00 C ATOM 1747 C GLU A 108 3.457 -12.016 3.474 1.00 0.00 C ATOM 1748 O GLU A 108 2.488 -12.415 2.826 1.00 0.00 O ATOM 1749 CB GLU A 108 5.100 -13.690 4.345 1.00 0.00 C ATOM 1750 CG GLU A 108 4.431 -13.387 5.675 1.00 0.00 C ATOM 1751 CD GLU A 108 4.711 -14.447 6.723 1.00 0.00 C ATOM 1752 OE1 GLU A 108 5.872 -14.546 7.172 1.00 0.00 O ATOM 1753 OE2 GLU A 108 3.769 -15.178 7.094 1.00 0.00 O ATOM 0 H GLU A 108 6.526 -11.691 4.095 1.00 0.00 H new ATOM 0 HA GLU A 108 4.870 -13.100 2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.747 -14.655 3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.175 -13.781 4.501 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.777 -12.420 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.354 -13.304 5.526 1.00 0.00 H new ATOM 1760 N LEU A 109 3.374 -11.043 4.374 1.00 0.00 N ATOM 1761 CA LEU A 109 2.110 -10.373 4.662 1.00 0.00 C ATOM 1762 C LEU A 109 1.627 -9.579 3.453 1.00 0.00 C ATOM 1763 O LEU A 109 0.434 -9.550 3.152 1.00 0.00 O ATOM 1764 CB LEU A 109 2.265 -9.445 5.868 1.00 0.00 C ATOM 1765 CG LEU A 109 2.951 -10.047 7.094 1.00 0.00 C ATOM 1766 CD1 LEU A 109 3.092 -9.004 8.192 1.00 0.00 C ATOM 1767 CD2 LEU A 109 2.176 -11.255 7.600 1.00 0.00 C ATOM 0 H LEU A 109 4.166 -10.700 4.917 1.00 0.00 H new ATOM 0 HA LEU A 109 1.367 -11.136 4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.830 -8.567 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.275 -9.098 6.164 1.00 0.00 H new ATOM 0 HG LEU A 109 3.948 -10.376 6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.582 -9.450 9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.690 -8.169 7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.105 -8.644 8.481 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.679 -11.670 8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.166 -10.951 7.874 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.127 -12.010 6.816 1.00 0.00 H new ATOM 1779 N TRP A 110 2.562 -8.937 2.762 1.00 0.00 N ATOM 1780 CA TRP A 110 2.232 -8.144 1.583 1.00 0.00 C ATOM 1781 C TRP A 110 1.911 -9.043 0.394 1.00 0.00 C ATOM 1782 O TRP A 110 0.972 -8.782 -0.357 1.00 0.00 O ATOM 1783 CB TRP A 110 3.390 -7.208 1.232 1.00 0.00 C ATOM 1784 CG TRP A 110 3.293 -5.868 1.896 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.235 -5.276 2.689 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.192 -4.955 1.827 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.786 -4.050 3.116 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.536 -3.829 2.601 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.951 -4.978 1.186 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.681 -2.740 2.750 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.104 -3.897 1.335 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.472 -2.790 2.111 1.00 0.00 C ATOM 0 H TRP A 110 3.554 -8.950 2.997 1.00 0.00 H new ATOM 0 HA TRP A 110 1.349 -7.548 1.813 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.329 -7.681 1.519 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.420 -7.069 0.151 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.192 -5.708 2.943 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.300 -3.408 3.719 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.659 -5.826 0.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 1.962 -1.886 3.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.858 -3.905 0.845 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.212 -1.960 2.207 1.00 0.00 H new ATOM 1803 N MET A 111 2.696 -10.103 0.230 1.00 0.00 N ATOM 1804 CA MET A 111 2.493 -11.041 -0.868 1.00 0.00 C ATOM 1805 C MET A 111 1.171 -11.784 -0.710 1.00 0.00 C ATOM 1806 O MET A 111 0.272 -11.657 -1.542 1.00 0.00 O ATOM 1807 CB MET A 111 3.649 -12.041 -0.933 1.00 0.00 C ATOM 1808 CG MET A 111 4.926 -11.457 -1.514 1.00 0.00 C ATOM 1809 SD MET A 111 6.101 -12.726 -2.024 1.00 0.00 S ATOM 1810 CE MET A 111 6.437 -12.219 -3.709 1.00 0.00 C ATOM 0 H MET A 111 3.478 -10.334 0.843 1.00 0.00 H new ATOM 0 HA MET A 111 2.461 -10.473 -1.798 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.853 -12.413 0.071 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.344 -12.897 -1.535 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.678 -10.832 -2.372 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.395 -10.810 -0.773 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.027 -12.956 -4.399 1.00 0.00 H new ATOM 0 HE2 MET A 111 5.975 -11.250 -3.896 1.00 0.00 H new ATOM 0 HE3 MET A 111 7.514 -12.142 -3.858 1.00 0.00 H new ATOM 1820 N LYS A 112 1.057 -12.560 0.362 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.156 -13.324 0.630 1.00 0.00 C ATOM 1822 C LYS A 112 -1.396 -12.532 0.229 1.00 0.00 C ATOM 1823 O LYS A 112 -2.333 -13.080 -0.350 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.232 -13.695 2.113 1.00 0.00 C ATOM 1825 CG LYS A 112 0.691 -14.837 2.502 1.00 0.00 C ATOM 1826 CD LYS A 112 0.198 -16.165 1.952 1.00 0.00 C ATOM 1827 CE LYS A 112 -1.049 -16.641 2.681 1.00 0.00 C ATOM 1828 NZ LYS A 112 -1.180 -18.124 2.645 1.00 0.00 N ATOM 0 H LYS A 112 1.791 -12.677 1.061 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.121 -14.237 0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.016 -12.818 2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.258 -13.969 2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.695 -14.638 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.761 -14.896 3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.018 -16.062 0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.984 -16.914 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -1.015 -16.304 3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.930 -16.187 2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -2.042 -18.409 3.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.238 -18.443 1.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.351 -18.557 3.100 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.395 -11.240 0.540 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.518 -10.373 0.209 1.00 0.00 C ATOM 1844 C ALA A 113 -2.507 -10.000 -1.270 1.00 0.00 C ATOM 1845 O ALA A 113 -3.420 -10.353 -2.015 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.490 -9.120 1.071 1.00 0.00 C ATOM 0 H ALA A 113 -0.628 -10.771 1.021 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.439 -10.920 0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.335 -8.482 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.555 -9.400 2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.560 -8.579 0.897 1.00 0.00 H new ATOM 1852 N MET A 114 -1.467 -9.285 -1.687 1.00 0.00 N ATOM 1853 CA MET A 114 -1.338 -8.865 -3.077 1.00 0.00 C ATOM 1854 C MET A 114 -1.818 -9.961 -4.023 1.00 0.00 C ATOM 1855 O MET A 114 -2.624 -9.711 -4.921 1.00 0.00 O ATOM 1856 CB MET A 114 0.116 -8.506 -3.390 1.00 0.00 C ATOM 1857 CG MET A 114 0.523 -7.128 -2.892 1.00 0.00 C ATOM 1858 SD MET A 114 2.090 -6.573 -3.588 1.00 0.00 S ATOM 1859 CE MET A 114 2.727 -5.581 -2.240 1.00 0.00 C ATOM 0 H MET A 114 -0.702 -8.985 -1.083 1.00 0.00 H new ATOM 0 HA MET A 114 -1.963 -7.984 -3.224 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.771 -9.253 -2.942 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.269 -8.554 -4.468 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.257 -6.410 -3.145 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.599 -7.147 -1.805 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.088 -4.628 -2.628 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.934 -5.400 -1.515 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.548 -6.110 -1.756 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.319 -11.175 -3.817 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.697 -12.309 -4.652 1.00 0.00 C ATOM 1871 C LEU A 115 -3.207 -12.525 -4.627 1.00 0.00 C ATOM 1872 O LEU A 115 -3.811 -12.872 -5.642 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.982 -13.576 -4.180 1.00 0.00 C ATOM 1874 CG LEU A 115 0.378 -13.858 -4.820 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.250 -13.930 -6.334 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.388 -12.793 -4.419 1.00 0.00 C ATOM 0 H LEU A 115 -0.652 -11.399 -3.079 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.397 -12.090 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.847 -13.512 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.634 -14.429 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 115 0.735 -14.823 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.227 -14.131 -6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.440 -14.730 -6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.129 -12.981 -6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.350 -13.010 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.037 -11.816 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.502 -12.789 -3.335 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.810 -12.314 -3.462 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.250 -12.482 -3.305 1.00 0.00 C ATOM 1890 C ASP A 116 -6.009 -11.650 -4.335 1.00 0.00 C ATOM 1891 O ASP A 116 -6.973 -12.121 -4.938 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.680 -12.084 -1.893 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.918 -12.829 -1.433 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -7.819 -13.056 -2.268 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -6.985 -13.187 -0.239 1.00 0.00 O ATOM 0 H ASP A 116 -3.324 -12.026 -2.613 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.489 -13.533 -3.466 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.863 -12.280 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.873 -11.012 -1.864 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.568 -10.412 -4.529 1.00 0.00 N ATOM 1901 CA ALA A 117 -6.205 -9.515 -5.486 1.00 0.00 C ATOM 1902 C ALA A 117 -5.699 -9.774 -6.901 1.00 0.00 C ATOM 1903 O ALA A 117 -6.488 -9.937 -7.832 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.962 -8.066 -5.094 1.00 0.00 C ATOM 0 H ALA A 117 -4.772 -10.007 -4.036 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.277 -9.709 -5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.443 -7.408 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.378 -7.882 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.890 -7.868 -5.080 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.380 -9.809 -7.056 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.770 -10.049 -8.358 1.00 0.00 C ATOM 1912 C ALA A 118 -4.365 -11.285 -9.024 1.00 0.00 C ATOM 1913 O ALA A 118 -4.722 -11.256 -10.203 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.262 -10.200 -8.215 1.00 0.00 C ATOM 0 H ALA A 118 -3.713 -9.674 -6.296 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.980 -9.189 -8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.820 -10.379 -9.195 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.844 -9.288 -7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.041 -11.042 -7.558 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.471 -12.369 -8.263 1.00 0.00 N ATOM 1921 CA LEU A 119 -5.023 -13.616 -8.781 1.00 0.00 C ATOM 1922 C LEU A 119 -6.335 -13.366 -9.517 1.00 0.00 C ATOM 1923 O LEU A 119 -6.683 -14.089 -10.451 1.00 0.00 O ATOM 1924 CB LEU A 119 -5.247 -14.609 -7.639 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.525 -14.417 -6.823 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -7.703 -15.093 -7.508 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -6.344 -14.959 -5.412 1.00 0.00 C ATOM 0 H LEU A 119 -4.182 -12.410 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.307 -14.037 -9.486 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.254 -15.616 -8.056 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.395 -14.551 -6.961 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.733 -13.349 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.604 -14.946 -6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.847 -14.659 -8.497 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.503 -16.160 -7.606 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.264 -14.814 -4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.110 -16.023 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.528 -14.429 -4.921 1.00 0.00 H new