USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=22 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 91 HIS : no HD1:sc= -8.57! C(o=-8.8!,f=-16!) USER MOD Set 1.2: A 94 MET CE :methyl -172:sc= -0.251 (180deg=-0.311) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -150:sc= -0.39 (180deg=-1.68!) 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 74:sc= 0.945 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.38 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= -0.0308 K(o=-0.031,f=-1.3) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0796) USER MOD Single : A 93 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.3!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 54:sc= 0.0295 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot -104:sc= 1.18 USER MOD Single : A 101 THR OG1 : rot 117:sc= -0.065 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 168:sc= -1.26 (180deg=-1.67) USER MOD Single : A 107 MET CE :methyl -127:sc= -0.0556 (180deg=-1.6) USER MOD Single : A 111 MET CE :methyl -111:sc= -0.58 (180deg=-3.58!) USER MOD Single : A 112 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0197) USER MOD Single : A 114 MET CE :methyl -105:sc= -0.595 (180deg=-2.47!) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.332 -3.646 4.489 1.00 0.00 N ATOM 266 CA PRO A 20 -12.364 -4.017 5.526 1.00 0.00 C ATOM 267 C PRO A 20 -10.925 -3.957 5.024 1.00 0.00 C ATOM 268 O PRO A 20 -10.609 -4.473 3.951 1.00 0.00 O ATOM 269 CB PRO A 20 -12.749 -5.457 5.873 1.00 0.00 C ATOM 270 CG PRO A 20 -14.204 -5.545 5.564 1.00 0.00 C ATOM 271 CD PRO A 20 -14.461 -4.589 4.420 1.00 0.00 C ATOM 0 HA PRO A 20 -12.397 -3.336 6.376 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.175 -6.173 5.284 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.553 -5.677 6.922 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.481 -6.563 5.288 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.802 -5.277 6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.489 -5.109 3.463 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.417 -4.077 4.533 1.00 0.00 H new ATOM 279 N VAL A 21 -10.056 -3.324 5.806 1.00 0.00 N ATOM 280 CA VAL A 21 -8.650 -3.198 5.441 1.00 0.00 C ATOM 281 C VAL A 21 -7.878 -4.467 5.782 1.00 0.00 C ATOM 282 O VAL A 21 -7.750 -4.833 6.951 1.00 0.00 O ATOM 283 CB VAL A 21 -7.991 -2.001 6.152 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.504 -1.945 5.836 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.678 -0.703 5.757 1.00 0.00 C ATOM 0 H VAL A 21 -10.301 -2.891 6.696 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.616 -3.035 4.364 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.104 -2.132 7.228 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.055 -1.093 6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.025 -2.864 6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.364 -1.838 4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.200 0.132 6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.598 -0.562 4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.730 -0.747 6.040 1.00 0.00 H new ATOM 295 N VAL A 22 -7.364 -5.135 4.755 1.00 0.00 N ATOM 296 CA VAL A 22 -6.602 -6.364 4.945 1.00 0.00 C ATOM 297 C VAL A 22 -5.325 -6.101 5.735 1.00 0.00 C ATOM 298 O VAL A 22 -5.017 -6.811 6.692 1.00 0.00 O ATOM 299 CB VAL A 22 -6.235 -7.012 3.597 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.515 -8.333 3.818 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.479 -7.209 2.745 1.00 0.00 C ATOM 0 H VAL A 22 -7.461 -4.846 3.782 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.239 -7.048 5.506 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.560 -6.343 3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.264 -8.776 2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.602 -8.159 4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.163 -9.012 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.201 -7.668 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.181 -7.857 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.948 -6.243 2.557 1.00 0.00 H new ATOM 311 N ARG A 23 -4.584 -5.075 5.328 1.00 0.00 N ATOM 312 CA ARG A 23 -3.339 -4.719 5.997 1.00 0.00 C ATOM 313 C ARG A 23 -2.791 -3.400 5.459 1.00 0.00 C ATOM 314 O ARG A 23 -2.911 -3.106 4.270 1.00 0.00 O ATOM 315 CB ARG A 23 -2.301 -5.827 5.814 1.00 0.00 C ATOM 316 CG ARG A 23 -1.177 -5.785 6.837 1.00 0.00 C ATOM 317 CD ARG A 23 -1.591 -6.440 8.146 1.00 0.00 C ATOM 318 NE ARG A 23 -2.248 -5.496 9.046 1.00 0.00 N ATOM 319 CZ ARG A 23 -2.641 -5.806 10.276 1.00 0.00 C ATOM 320 NH1 ARG A 23 -2.444 -7.029 10.750 1.00 0.00 N ATOM 321 NH2 ARG A 23 -3.232 -4.892 11.035 1.00 0.00 N ATOM 0 H ARG A 23 -4.825 -4.476 4.538 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.549 -4.600 7.060 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.800 -6.794 5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.874 -5.751 4.814 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.300 -6.293 6.436 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.890 -4.750 7.022 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.264 -7.272 7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.712 -6.857 8.637 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.414 -4.547 8.712 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.990 -7.734 10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.747 -7.265 11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.385 -3.950 10.674 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.534 -5.131 11.980 1.00 0.00 H new ATOM 335 N ARG A 24 -2.189 -2.611 6.343 1.00 0.00 N ATOM 336 CA ARG A 24 -1.625 -1.323 5.958 1.00 0.00 C ATOM 337 C ARG A 24 -0.283 -1.090 6.646 1.00 0.00 C ATOM 338 O ARG A 24 -0.170 -1.208 7.865 1.00 0.00 O ATOM 339 CB ARG A 24 -2.593 -0.192 6.308 1.00 0.00 C ATOM 340 CG ARG A 24 -3.156 -0.287 7.717 1.00 0.00 C ATOM 341 CD ARG A 24 -3.903 0.980 8.105 1.00 0.00 C ATOM 342 NE ARG A 24 -4.112 1.072 9.547 1.00 0.00 N ATOM 343 CZ ARG A 24 -4.686 2.112 10.142 1.00 0.00 C ATOM 344 NH1 ARG A 24 -5.105 3.143 9.422 1.00 0.00 N ATOM 345 NH2 ARG A 24 -4.841 2.122 11.460 1.00 0.00 N ATOM 0 H ARG A 24 -2.079 -2.841 7.331 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.465 -1.333 4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.079 0.763 6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.418 -0.197 5.595 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.828 -1.142 7.784 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.345 -0.463 8.423 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.342 1.850 7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.867 1.002 7.597 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.800 0.295 10.130 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.987 3.139 8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.545 3.940 9.881 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.519 1.331 12.017 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.282 2.921 11.916 1.00 0.00 H new ATOM 359 N GLY A 25 0.733 -0.759 5.854 1.00 0.00 N ATOM 360 CA GLY A 25 2.054 -0.515 6.404 1.00 0.00 C ATOM 361 C GLY A 25 2.941 0.268 5.458 1.00 0.00 C ATOM 362 O GLY A 25 2.674 0.333 4.257 1.00 0.00 O ATOM 0 H GLY A 25 0.665 -0.656 4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.958 0.031 7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.529 -1.468 6.637 1.00 0.00 H new ATOM 366 N TRP A 26 3.997 0.866 5.997 1.00 0.00 N ATOM 367 CA TRP A 26 4.926 1.651 5.192 1.00 0.00 C ATOM 368 C TRP A 26 5.765 0.748 4.295 1.00 0.00 C ATOM 369 O TRP A 26 6.784 0.204 4.723 1.00 0.00 O ATOM 370 CB TRP A 26 5.837 2.484 6.094 1.00 0.00 C ATOM 371 CG TRP A 26 5.113 3.573 6.826 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.563 3.497 8.074 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.860 4.901 6.355 1.00 0.00 C ATOM 374 NE1 TRP A 26 3.982 4.697 8.406 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.152 5.575 7.369 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.165 5.587 5.176 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.744 6.900 7.237 1.00 0.00 C ATOM 378 CZ3 TRP A 26 4.759 6.902 5.046 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.056 7.547 6.072 1.00 0.00 C ATOM 0 H TRP A 26 4.232 0.822 6.989 1.00 0.00 H new ATOM 0 HA TRP A 26 4.344 2.321 4.559 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.318 1.827 6.818 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.629 2.926 5.489 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.582 2.622 8.707 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.502 4.901 9.283 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.708 5.098 4.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.201 7.399 8.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.988 7.441 4.138 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.754 8.576 5.941 1.00 0.00 H new ATOM 390 N LEU A 27 5.333 0.592 3.048 1.00 0.00 N ATOM 391 CA LEU A 27 6.046 -0.245 2.090 1.00 0.00 C ATOM 392 C LEU A 27 6.947 0.599 1.194 1.00 0.00 C ATOM 393 O LEU A 27 6.709 1.791 1.003 1.00 0.00 O ATOM 394 CB LEU A 27 5.053 -1.035 1.235 1.00 0.00 C ATOM 395 CG LEU A 27 5.662 -2.007 0.225 1.00 0.00 C ATOM 396 CD1 LEU A 27 6.296 -3.191 0.939 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.606 -2.481 -0.763 1.00 0.00 C ATOM 0 H LEU A 27 4.492 1.034 2.677 1.00 0.00 H new ATOM 0 HA LEU A 27 6.671 -0.942 2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.398 -1.597 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.426 -0.326 0.694 1.00 0.00 H new ATOM 0 HG LEU A 27 6.441 -1.484 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.724 -3.872 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.082 -2.836 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.537 -3.715 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.058 -3.172 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.805 -2.987 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.198 -1.624 -1.299 1.00 0.00 H new ATOM 409 N TYR A 28 7.981 -0.029 0.646 1.00 0.00 N ATOM 410 CA TYR A 28 8.919 0.664 -0.230 1.00 0.00 C ATOM 411 C TYR A 28 8.660 0.313 -1.692 1.00 0.00 C ATOM 412 O TYR A 28 8.511 -0.857 -2.045 1.00 0.00 O ATOM 413 CB TYR A 28 10.358 0.308 0.144 1.00 0.00 C ATOM 414 CG TYR A 28 10.654 0.452 1.620 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.732 1.706 2.213 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.853 -0.665 2.422 1.00 0.00 C ATOM 417 CE1 TYR A 28 11.003 1.843 3.561 1.00 0.00 C ATOM 418 CE2 TYR A 28 11.123 -0.538 3.771 1.00 0.00 C ATOM 419 CZ TYR A 28 11.197 0.718 4.336 1.00 0.00 C ATOM 420 OH TYR A 28 11.465 0.850 5.679 1.00 0.00 O ATOM 0 H TYR A 28 8.191 -1.016 0.793 1.00 0.00 H new ATOM 0 HA TYR A 28 8.772 1.736 -0.101 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.560 -0.719 -0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 28 11.039 0.947 -0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.578 2.589 1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.796 -1.650 1.983 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.063 2.825 4.006 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.275 -1.417 4.380 1.00 0.00 H new ATOM 0 HH TYR A 28 11.574 -0.038 6.080 1.00 0.00 H new ATOM 430 N LYS A 29 8.609 1.336 -2.539 1.00 0.00 N ATOM 431 CA LYS A 29 8.370 1.138 -3.964 1.00 0.00 C ATOM 432 C LYS A 29 9.548 1.646 -4.788 1.00 0.00 C ATOM 433 O LYS A 29 10.441 2.313 -4.265 1.00 0.00 O ATOM 434 CB LYS A 29 7.088 1.856 -4.391 1.00 0.00 C ATOM 435 CG LYS A 29 6.707 1.610 -5.841 1.00 0.00 C ATOM 436 CD LYS A 29 5.261 1.991 -6.110 1.00 0.00 C ATOM 437 CE LYS A 29 5.135 3.453 -6.509 1.00 0.00 C ATOM 438 NZ LYS A 29 5.465 4.366 -5.380 1.00 0.00 N ATOM 0 H LYS A 29 8.730 2.311 -2.263 1.00 0.00 H new ATOM 0 HA LYS A 29 8.258 0.069 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.269 1.532 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.212 2.927 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.363 2.186 -6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.858 0.558 -6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.859 1.360 -6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.662 1.803 -5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.799 3.659 -7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.119 3.650 -6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.921 5.247 -5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.223 3.906 -4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.482 4.584 -5.396 1.00 0.00 H new ATOM 571 N TRP A 38 14.657 2.996 -3.798 1.00 0.00 N ATOM 572 CA TRP A 38 13.387 2.688 -3.149 1.00 0.00 C ATOM 573 C TRP A 38 12.876 3.887 -2.356 1.00 0.00 C ATOM 574 O TRP A 38 13.649 4.585 -1.700 1.00 0.00 O ATOM 575 CB TRP A 38 13.543 1.479 -2.225 1.00 0.00 C ATOM 576 CG TRP A 38 14.146 0.287 -2.904 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.473 -0.022 -2.993 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.443 -0.754 -3.591 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.638 -1.193 -3.694 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.407 -1.662 -4.070 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.093 -1.010 -3.845 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.062 -2.803 -4.790 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.752 -2.142 -4.559 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.733 -3.028 -5.024 1.00 0.00 C ATOM 0 HA TRP A 38 12.659 2.452 -3.925 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.166 1.758 -1.375 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.566 1.206 -1.827 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.275 0.567 -2.574 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.531 -1.640 -3.901 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.329 -0.334 -3.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.817 -3.486 -5.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.711 -2.348 -4.762 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.434 -3.906 -5.578 1.00 0.00 H new ATOM 595 N LYS A 39 11.570 4.120 -2.422 1.00 0.00 N ATOM 596 CA LYS A 39 10.955 5.234 -1.709 1.00 0.00 C ATOM 597 C LYS A 39 9.923 4.732 -0.704 1.00 0.00 C ATOM 598 O LYS A 39 9.196 3.775 -0.969 1.00 0.00 O ATOM 599 CB LYS A 39 10.293 6.196 -2.698 1.00 0.00 C ATOM 600 CG LYS A 39 11.280 6.904 -3.610 1.00 0.00 C ATOM 601 CD LYS A 39 12.155 7.877 -2.837 1.00 0.00 C ATOM 602 CE LYS A 39 13.053 8.679 -3.766 1.00 0.00 C ATOM 603 NZ LYS A 39 13.422 9.997 -3.179 1.00 0.00 N ATOM 0 H LYS A 39 10.917 3.553 -2.962 1.00 0.00 H new ATOM 0 HA LYS A 39 11.738 5.763 -1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.580 5.642 -3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.725 6.942 -2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.908 6.167 -4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.737 7.441 -4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.525 8.556 -2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.767 7.328 -2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.958 8.109 -3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.545 8.835 -4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.034 10.513 -3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.560 10.551 -3.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.930 9.848 -2.284 1.00 0.00 H new ATOM 617 N LYS A 40 9.863 5.386 0.452 1.00 0.00 N ATOM 618 CA LYS A 40 8.918 5.009 1.496 1.00 0.00 C ATOM 619 C LYS A 40 7.582 5.719 1.303 1.00 0.00 C ATOM 620 O LYS A 40 7.540 6.909 0.992 1.00 0.00 O ATOM 621 CB LYS A 40 9.491 5.344 2.875 1.00 0.00 C ATOM 622 CG LYS A 40 8.896 4.513 3.999 1.00 0.00 C ATOM 623 CD LYS A 40 9.450 4.927 5.352 1.00 0.00 C ATOM 624 CE LYS A 40 8.644 4.325 6.493 1.00 0.00 C ATOM 625 NZ LYS A 40 9.145 4.771 7.822 1.00 0.00 N ATOM 0 H LYS A 40 10.458 6.180 0.689 1.00 0.00 H new ATOM 0 HA LYS A 40 8.751 3.934 1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.571 5.195 2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.318 6.400 3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.812 4.623 4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.109 3.458 3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.490 4.610 5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.441 6.014 5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.597 4.608 6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.688 3.237 6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.570 4.339 8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.137 4.479 7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.079 5.807 7.888 1.00 0.00 H new ATOM 639 N ARG A 41 6.493 4.981 1.492 1.00 0.00 N ATOM 640 CA ARG A 41 5.155 5.541 1.338 1.00 0.00 C ATOM 641 C ARG A 41 4.118 4.670 2.042 1.00 0.00 C ATOM 642 O ARG A 41 4.232 3.445 2.061 1.00 0.00 O ATOM 643 CB ARG A 41 4.803 5.675 -0.144 1.00 0.00 C ATOM 644 CG ARG A 41 3.558 6.510 -0.401 1.00 0.00 C ATOM 645 CD ARG A 41 3.858 7.998 -0.314 1.00 0.00 C ATOM 646 NE ARG A 41 4.858 8.413 -1.294 1.00 0.00 N ATOM 647 CZ ARG A 41 5.466 9.594 -1.269 1.00 0.00 C ATOM 648 NH1 ARG A 41 5.177 10.472 -0.318 1.00 0.00 N ATOM 649 NH2 ARG A 41 6.365 9.899 -2.195 1.00 0.00 N ATOM 0 H ARG A 41 6.511 3.995 1.752 1.00 0.00 H new ATOM 0 HA ARG A 41 5.146 6.530 1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.646 6.123 -0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.657 4.680 -0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.158 6.275 -1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.788 6.250 0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.939 8.563 -0.472 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.211 8.239 0.689 1.00 0.00 H new ATOM 0 HE ARG A 41 5.103 7.760 -2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.487 10.241 0.396 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.645 11.378 -0.301 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.591 9.226 -2.928 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.831 10.806 -2.174 1.00 0.00 H new ATOM 663 N TRP A 42 3.109 5.312 2.619 1.00 0.00 N ATOM 664 CA TRP A 42 2.052 4.596 3.324 1.00 0.00 C ATOM 665 C TRP A 42 1.171 3.825 2.348 1.00 0.00 C ATOM 666 O TRP A 42 0.457 4.418 1.539 1.00 0.00 O ATOM 667 CB TRP A 42 1.200 5.574 4.136 1.00 0.00 C ATOM 668 CG TRP A 42 0.284 4.896 5.110 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.064 5.079 5.232 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.650 3.929 6.100 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.558 4.284 6.238 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.526 3.569 6.786 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.857 3.332 6.473 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.528 2.639 7.822 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.853 2.409 7.502 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.667 2.069 8.166 1.00 0.00 C ATOM 0 H TRP A 42 3.000 6.326 2.613 1.00 0.00 H new ATOM 0 HA TRP A 42 2.521 3.883 4.002 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.857 6.253 4.679 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.607 6.182 3.453 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.655 5.750 4.627 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.534 4.234 6.529 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.776 3.587 5.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.441 2.377 8.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.780 1.942 7.799 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.697 1.343 8.965 1.00 0.00 H new ATOM 687 N PHE A 43 1.226 2.500 2.428 1.00 0.00 N ATOM 688 CA PHE A 43 0.433 1.647 1.550 1.00 0.00 C ATOM 689 C PHE A 43 -0.676 0.947 2.328 1.00 0.00 C ATOM 690 O PHE A 43 -0.520 0.634 3.509 1.00 0.00 O ATOM 691 CB PHE A 43 1.328 0.609 0.869 1.00 0.00 C ATOM 692 CG PHE A 43 2.006 1.121 -0.370 1.00 0.00 C ATOM 693 CD1 PHE A 43 1.371 1.058 -1.600 1.00 0.00 C ATOM 694 CD2 PHE A 43 3.277 1.667 -0.304 1.00 0.00 C ATOM 695 CE1 PHE A 43 1.993 1.528 -2.741 1.00 0.00 C ATOM 696 CE2 PHE A 43 3.904 2.140 -1.442 1.00 0.00 C ATOM 697 CZ PHE A 43 3.260 2.071 -2.661 1.00 0.00 C ATOM 0 H PHE A 43 1.811 1.993 3.092 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.025 2.278 0.788 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.087 0.275 1.577 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.727 -0.263 0.611 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.379 0.637 -1.668 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.784 1.724 0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.489 1.471 -3.694 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.896 2.563 -1.377 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.747 2.441 -3.551 1.00 0.00 H new ATOM 707 N VAL A 44 -1.799 0.704 1.659 1.00 0.00 N ATOM 708 CA VAL A 44 -2.935 0.041 2.286 1.00 0.00 C ATOM 709 C VAL A 44 -3.567 -0.977 1.343 1.00 0.00 C ATOM 710 O VAL A 44 -3.747 -0.709 0.154 1.00 0.00 O ATOM 711 CB VAL A 44 -4.008 1.056 2.722 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.220 0.340 3.297 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.432 2.040 3.729 1.00 0.00 C ATOM 0 H VAL A 44 -1.946 0.957 0.682 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.553 -0.473 3.168 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.331 1.616 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.967 1.074 3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.645 -0.320 2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.918 -0.248 4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.204 2.750 4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.080 1.498 4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.599 2.578 3.276 1.00 0.00 H new ATOM 723 N LEU A 45 -3.903 -2.144 1.879 1.00 0.00 N ATOM 724 CA LEU A 45 -4.517 -3.203 1.086 1.00 0.00 C ATOM 725 C LEU A 45 -6.002 -3.335 1.408 1.00 0.00 C ATOM 726 O LEU A 45 -6.379 -3.974 2.390 1.00 0.00 O ATOM 727 CB LEU A 45 -3.808 -4.534 1.340 1.00 0.00 C ATOM 728 CG LEU A 45 -3.802 -5.525 0.175 1.00 0.00 C ATOM 729 CD1 LEU A 45 -5.140 -6.242 0.078 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.480 -4.813 -1.130 1.00 0.00 C ATOM 0 H LEU A 45 -3.761 -2.382 2.861 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.415 -2.939 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.775 -4.325 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.278 -5.015 2.198 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.027 -6.269 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.117 -6.943 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.329 -6.786 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.933 -5.512 -0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.480 -5.534 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.231 -4.047 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.497 -4.347 -1.057 1.00 0.00 H new ATOM 742 N SER A 46 -6.840 -2.728 0.574 1.00 0.00 N ATOM 743 CA SER A 46 -8.283 -2.776 0.771 1.00 0.00 C ATOM 744 C SER A 46 -9.001 -3.092 -0.538 1.00 0.00 C ATOM 745 O SER A 46 -8.482 -2.825 -1.622 1.00 0.00 O ATOM 746 CB SER A 46 -8.787 -1.446 1.334 1.00 0.00 C ATOM 747 OG SER A 46 -9.097 -0.536 0.292 1.00 0.00 O ATOM 0 H SER A 46 -6.544 -2.197 -0.245 1.00 0.00 H new ATOM 0 HA SER A 46 -8.500 -3.570 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.672 -1.619 1.946 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.029 -1.013 1.986 1.00 0.00 H new ATOM 0 HG SER A 46 -9.418 0.306 0.678 1.00 0.00 H new ATOM 753 N ASP A 47 -10.195 -3.662 -0.428 1.00 0.00 N ATOM 754 CA ASP A 47 -10.986 -4.014 -1.602 1.00 0.00 C ATOM 755 C ASP A 47 -10.124 -4.716 -2.646 1.00 0.00 C ATOM 756 O ASP A 47 -10.330 -4.553 -3.850 1.00 0.00 O ATOM 757 CB ASP A 47 -11.624 -2.763 -2.207 1.00 0.00 C ATOM 758 CG ASP A 47 -12.713 -3.095 -3.208 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.427 -4.097 -2.996 1.00 0.00 O ATOM 760 OD2 ASP A 47 -12.852 -2.353 -4.203 1.00 0.00 O ATOM 0 H ASP A 47 -10.637 -3.891 0.462 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.774 -4.698 -1.288 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.043 -2.150 -1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.854 -2.167 -2.696 1.00 0.00 H new ATOM 765 N LEU A 48 -9.157 -5.498 -2.179 1.00 0.00 N ATOM 766 CA LEU A 48 -8.262 -6.226 -3.072 1.00 0.00 C ATOM 767 C LEU A 48 -7.585 -5.277 -4.056 1.00 0.00 C ATOM 768 O LEU A 48 -7.401 -5.609 -5.228 1.00 0.00 O ATOM 769 CB LEU A 48 -9.036 -7.303 -3.835 1.00 0.00 C ATOM 770 CG LEU A 48 -9.690 -8.390 -2.982 1.00 0.00 C ATOM 771 CD1 LEU A 48 -8.632 -9.236 -2.292 1.00 0.00 C ATOM 772 CD2 LEU A 48 -10.632 -7.771 -1.959 1.00 0.00 C ATOM 0 H LEU A 48 -8.972 -5.644 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.491 -6.702 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.812 -6.815 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.355 -7.782 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.273 -9.038 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.117 -10.004 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.998 -9.709 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.022 -8.602 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.089 -8.560 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.072 -7.100 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.411 -7.210 -2.475 1.00 0.00 H new ATOM 784 N CYS A 49 -7.215 -4.097 -3.572 1.00 0.00 N ATOM 785 CA CYS A 49 -6.557 -3.099 -4.409 1.00 0.00 C ATOM 786 C CYS A 49 -5.437 -2.402 -3.644 1.00 0.00 C ATOM 787 O CYS A 49 -5.222 -2.664 -2.459 1.00 0.00 O ATOM 788 CB CYS A 49 -7.572 -2.068 -4.904 1.00 0.00 C ATOM 789 SG CYS A 49 -9.015 -2.787 -5.723 1.00 0.00 S ATOM 0 H CYS A 49 -7.359 -3.807 -2.605 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.122 -3.610 -5.268 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -7.909 -1.470 -4.057 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.075 -1.389 -5.597 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.795 -3.326 -4.834 1.00 0.00 H new ATOM 795 N LEU A 50 -4.724 -1.514 -4.328 1.00 0.00 N ATOM 796 CA LEU A 50 -3.624 -0.779 -3.714 1.00 0.00 C ATOM 797 C LEU A 50 -3.961 0.704 -3.591 1.00 0.00 C ATOM 798 O LEU A 50 -4.384 1.337 -4.558 1.00 0.00 O ATOM 799 CB LEU A 50 -2.345 -0.956 -4.534 1.00 0.00 C ATOM 800 CG LEU A 50 -1.460 -2.141 -4.148 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.221 -2.191 -5.029 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.069 -2.059 -2.679 1.00 0.00 C ATOM 0 H LEU A 50 -4.888 -1.286 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.465 -1.181 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.621 -1.061 -5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.754 -0.044 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.028 -3.059 -4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.397 -3.041 -4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.520 -2.298 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.349 -1.270 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.439 -2.911 -2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.520 -1.135 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.967 -2.073 -2.062 1.00 0.00 H new ATOM 814 N PHE A 51 -3.770 1.252 -2.395 1.00 0.00 N ATOM 815 CA PHE A 51 -4.052 2.661 -2.146 1.00 0.00 C ATOM 816 C PHE A 51 -2.990 3.276 -1.240 1.00 0.00 C ATOM 817 O PHE A 51 -2.727 2.777 -0.145 1.00 0.00 O ATOM 818 CB PHE A 51 -5.435 2.820 -1.511 1.00 0.00 C ATOM 819 CG PHE A 51 -6.555 2.321 -2.378 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.744 2.834 -3.651 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.418 1.339 -1.920 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.773 2.376 -4.452 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.448 0.877 -2.717 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.627 1.397 -3.984 1.00 0.00 C ATOM 0 H PHE A 51 -3.421 0.742 -1.584 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.036 3.185 -3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.454 2.283 -0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.603 3.873 -1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.080 3.601 -4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.284 0.930 -0.929 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.909 2.783 -5.443 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.113 0.109 -2.349 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.433 1.039 -4.607 1.00 0.00 H new ATOM 834 N TYR A 52 -2.382 4.362 -1.704 1.00 0.00 N ATOM 835 CA TYR A 52 -1.346 5.045 -0.938 1.00 0.00 C ATOM 836 C TYR A 52 -1.694 6.518 -0.743 1.00 0.00 C ATOM 837 O TYR A 52 -2.425 7.105 -1.541 1.00 0.00 O ATOM 838 CB TYR A 52 0.005 4.918 -1.643 1.00 0.00 C ATOM 839 CG TYR A 52 -0.060 5.183 -3.130 1.00 0.00 C ATOM 840 CD1 TYR A 52 -0.114 6.481 -3.623 1.00 0.00 C ATOM 841 CD2 TYR A 52 -0.068 4.135 -4.043 1.00 0.00 C ATOM 842 CE1 TYR A 52 -0.174 6.728 -4.981 1.00 0.00 C ATOM 843 CE2 TYR A 52 -0.127 4.373 -5.402 1.00 0.00 C ATOM 844 CZ TYR A 52 -0.180 5.670 -5.866 1.00 0.00 C ATOM 845 OH TYR A 52 -0.239 5.911 -7.220 1.00 0.00 O ATOM 0 H TYR A 52 -2.589 4.789 -2.607 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.283 4.573 0.042 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.709 5.615 -1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.398 3.915 -1.478 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.109 7.311 -2.932 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.027 3.117 -3.684 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.216 7.743 -5.347 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.132 3.547 -6.098 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.234 5.059 -7.704 1.00 0.00 H new ATOM 855 N TYR A 53 -1.165 7.107 0.322 1.00 0.00 N ATOM 856 CA TYR A 53 -1.419 8.511 0.625 1.00 0.00 C ATOM 857 C TYR A 53 -0.128 9.230 1.001 1.00 0.00 C ATOM 858 O TYR A 53 0.935 8.615 1.090 1.00 0.00 O ATOM 859 CB TYR A 53 -2.434 8.633 1.763 1.00 0.00 C ATOM 860 CG TYR A 53 -3.612 7.695 1.627 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.436 6.317 1.663 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.902 8.186 1.463 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.509 5.456 1.538 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.981 7.333 1.339 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.780 5.969 1.377 1.00 0.00 C ATOM 866 OH TYR A 53 -6.851 5.115 1.254 1.00 0.00 O ATOM 0 H TYR A 53 -0.557 6.635 0.991 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.827 8.981 -0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.931 8.436 2.710 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.800 9.659 1.804 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.443 5.912 1.791 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.063 9.253 1.432 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.354 4.388 1.566 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.977 7.732 1.213 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.674 5.636 1.149 1.00 0.00 H new ATOM 876 N ARG A 54 -0.229 10.537 1.222 1.00 0.00 N ATOM 877 CA ARG A 54 0.930 11.342 1.588 1.00 0.00 C ATOM 878 C ARG A 54 1.565 10.826 2.877 1.00 0.00 C ATOM 879 O ARG A 54 2.787 10.712 2.976 1.00 0.00 O ATOM 880 CB ARG A 54 0.527 12.808 1.757 1.00 0.00 C ATOM 881 CG ARG A 54 0.348 13.545 0.440 1.00 0.00 C ATOM 882 CD ARG A 54 0.072 15.024 0.662 1.00 0.00 C ATOM 883 NE ARG A 54 0.291 15.810 -0.549 1.00 0.00 N ATOM 884 CZ ARG A 54 1.493 16.188 -0.973 1.00 0.00 C ATOM 885 NH1 ARG A 54 2.577 15.852 -0.287 1.00 0.00 N ATOM 886 NH2 ARG A 54 1.611 16.902 -2.085 1.00 0.00 N ATOM 0 H ARG A 54 -1.102 11.061 1.154 1.00 0.00 H new ATOM 0 HA ARG A 54 1.663 11.264 0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.404 12.857 2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.286 13.319 2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.245 13.428 -0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.476 13.100 -0.118 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.957 15.154 0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.716 15.397 1.458 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.523 16.084 -1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.490 15.302 0.568 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.498 16.143 -0.614 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.779 17.161 -2.615 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.534 17.192 -2.410 1.00 0.00 H new ATOM 900 N ASP A 55 0.727 10.517 3.860 1.00 0.00 N ATOM 901 CA ASP A 55 1.205 10.013 5.142 1.00 0.00 C ATOM 902 C ASP A 55 0.113 9.226 5.858 1.00 0.00 C ATOM 903 O ASP A 55 -0.979 9.035 5.324 1.00 0.00 O ATOM 904 CB ASP A 55 1.680 11.169 6.024 1.00 0.00 C ATOM 905 CG ASP A 55 2.691 12.055 5.323 1.00 0.00 C ATOM 906 OD1 ASP A 55 3.864 11.643 5.210 1.00 0.00 O ATOM 907 OD2 ASP A 55 2.308 13.160 4.885 1.00 0.00 O ATOM 0 H ASP A 55 -0.287 10.607 3.794 1.00 0.00 H new ATOM 0 HA ASP A 55 2.044 9.344 4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.821 11.770 6.324 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.123 10.768 6.936 1.00 0.00 H new ATOM 912 N GLU A 56 0.416 8.771 7.070 1.00 0.00 N ATOM 913 CA GLU A 56 -0.541 8.002 7.858 1.00 0.00 C ATOM 914 C GLU A 56 -1.869 8.745 7.976 1.00 0.00 C ATOM 915 O GLU A 56 -2.911 8.140 8.232 1.00 0.00 O ATOM 916 CB GLU A 56 0.023 7.719 9.252 1.00 0.00 C ATOM 917 CG GLU A 56 0.543 8.958 9.961 1.00 0.00 C ATOM 918 CD GLU A 56 0.517 8.820 11.471 1.00 0.00 C ATOM 919 OE1 GLU A 56 -0.579 8.608 12.030 1.00 0.00 O ATOM 920 OE2 GLU A 56 1.595 8.923 12.094 1.00 0.00 O ATOM 0 H GLU A 56 1.315 8.921 7.527 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.717 7.056 7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.754 7.260 9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.832 6.993 9.167 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.564 9.157 9.636 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.058 9.819 9.668 1.00 0.00 H new ATOM 927 N LYS A 57 -1.824 10.059 7.789 1.00 0.00 N ATOM 928 CA LYS A 57 -3.022 10.886 7.873 1.00 0.00 C ATOM 929 C LYS A 57 -4.107 10.370 6.933 1.00 0.00 C ATOM 930 O LYS A 57 -5.291 10.642 7.129 1.00 0.00 O ATOM 931 CB LYS A 57 -2.688 12.340 7.533 1.00 0.00 C ATOM 932 CG LYS A 57 -1.539 12.907 8.349 1.00 0.00 C ATOM 933 CD LYS A 57 -2.032 13.547 9.636 1.00 0.00 C ATOM 934 CE LYS A 57 -2.063 12.545 10.780 1.00 0.00 C ATOM 935 NZ LYS A 57 -0.776 12.520 11.529 1.00 0.00 N ATOM 0 H LYS A 57 -0.970 10.575 7.578 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.397 10.835 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.439 12.409 6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.574 12.954 7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.832 12.112 8.585 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.001 13.647 7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.383 14.382 9.900 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.031 13.955 9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.875 12.797 11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.274 11.551 10.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.837 11.825 12.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.004 12.255 10.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.587 13.462 11.926 1.00 0.00 H new ATOM 949 N GLU A 58 -3.695 9.622 5.915 1.00 0.00 N ATOM 950 CA GLU A 58 -4.633 9.067 4.946 1.00 0.00 C ATOM 951 C GLU A 58 -5.533 10.158 4.374 1.00 0.00 C ATOM 952 O GLU A 58 -6.706 9.921 4.087 1.00 0.00 O ATOM 953 CB GLU A 58 -5.486 7.975 5.596 1.00 0.00 C ATOM 954 CG GLU A 58 -4.814 6.613 5.621 1.00 0.00 C ATOM 955 CD GLU A 58 -5.330 5.729 6.740 1.00 0.00 C ATOM 956 OE1 GLU A 58 -4.803 5.831 7.868 1.00 0.00 O ATOM 957 OE2 GLU A 58 -6.260 4.935 6.488 1.00 0.00 O ATOM 0 H GLU A 58 -2.718 9.386 5.740 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.057 8.630 4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.725 8.272 6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.431 7.895 5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.976 6.115 4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.738 6.745 5.734 1.00 0.00 H new ATOM 964 N GLU A 59 -4.975 11.354 4.213 1.00 0.00 N ATOM 965 CA GLU A 59 -5.728 12.482 3.678 1.00 0.00 C ATOM 966 C GLU A 59 -5.707 12.474 2.152 1.00 0.00 C ATOM 967 O GLU A 59 -4.743 12.919 1.531 1.00 0.00 O ATOM 968 CB GLU A 59 -5.154 13.801 4.200 1.00 0.00 C ATOM 969 CG GLU A 59 -5.383 14.018 5.686 1.00 0.00 C ATOM 970 CD GLU A 59 -4.840 15.348 6.172 1.00 0.00 C ATOM 971 OE1 GLU A 59 -3.666 15.654 5.876 1.00 0.00 O ATOM 972 OE2 GLU A 59 -5.590 16.083 6.847 1.00 0.00 O ATOM 0 H GLU A 59 -4.005 11.566 4.445 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.762 12.387 4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.083 13.827 3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.602 14.627 3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.451 13.967 5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.909 13.211 6.244 1.00 0.00 H new ATOM 979 N GLY A 60 -6.780 11.965 1.554 1.00 0.00 N ATOM 980 CA GLY A 60 -6.865 11.907 0.106 1.00 0.00 C ATOM 981 C GLY A 60 -5.830 10.980 -0.499 1.00 0.00 C ATOM 982 O GLY A 60 -4.691 10.924 -0.036 1.00 0.00 O ATOM 0 H GLY A 60 -7.592 11.592 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.861 11.572 -0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.734 12.909 -0.303 1.00 0.00 H new ATOM 986 N ILE A 61 -6.227 10.250 -1.536 1.00 0.00 N ATOM 987 CA ILE A 61 -5.325 9.320 -2.205 1.00 0.00 C ATOM 988 C ILE A 61 -4.607 9.993 -3.370 1.00 0.00 C ATOM 989 O ILE A 61 -5.237 10.620 -4.223 1.00 0.00 O ATOM 990 CB ILE A 61 -6.078 8.082 -2.726 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.548 7.214 -1.557 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.190 7.279 -3.665 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.542 6.147 -1.958 1.00 0.00 C ATOM 0 H ILE A 61 -7.167 10.284 -1.931 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.591 9.003 -1.464 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.954 8.415 -3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.682 6.738 -1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.000 7.854 -0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.736 6.407 -4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.900 7.901 -4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.297 6.953 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.831 5.570 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.425 6.617 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.087 5.484 -2.694 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.286 9.856 -3.402 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.481 10.449 -4.465 1.00 0.00 C ATOM 1007 C LEU A 62 -2.559 9.613 -5.738 1.00 0.00 C ATOM 1008 O LEU A 62 -2.350 10.120 -6.840 1.00 0.00 O ATOM 1009 CB LEU A 62 -1.025 10.580 -4.016 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.802 10.827 -2.523 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.660 11.140 -2.246 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.694 11.958 -2.031 1.00 0.00 C ATOM 0 H LEU A 62 -2.750 9.340 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.880 11.441 -4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.496 9.669 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.567 11.398 -4.572 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.067 9.919 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.799 11.313 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.278 10.299 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.952 12.033 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.522 12.120 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.460 12.871 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.739 11.694 -2.194 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.865 8.328 -5.579 1.00 0.00 N ATOM 1025 CA GLY A 63 -2.967 7.443 -6.724 1.00 0.00 C ATOM 1026 C GLY A 63 -3.295 6.017 -6.327 1.00 0.00 C ATOM 1027 O GLY A 63 -2.757 5.499 -5.349 1.00 0.00 O ATOM 0 H GLY A 63 -3.044 7.885 -4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.737 7.815 -7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.026 7.456 -7.275 1.00 0.00 H new ATOM 1031 N SER A 64 -4.181 5.382 -7.088 1.00 0.00 N ATOM 1032 CA SER A 64 -4.584 4.009 -6.806 1.00 0.00 C ATOM 1033 C SER A 64 -3.955 3.043 -7.806 1.00 0.00 C ATOM 1034 O SER A 64 -3.698 3.402 -8.956 1.00 0.00 O ATOM 1035 CB SER A 64 -6.108 3.883 -6.848 1.00 0.00 C ATOM 1036 OG SER A 64 -6.640 4.517 -7.998 1.00 0.00 O ATOM 0 H SER A 64 -4.633 5.796 -7.903 1.00 0.00 H new ATOM 0 HA SER A 64 -4.233 3.751 -5.807 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.389 2.830 -6.846 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.538 4.329 -5.951 1.00 0.00 H new ATOM 0 HG SER A 64 -7.615 4.421 -8.003 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.711 1.815 -7.360 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.114 0.797 -8.215 1.00 0.00 C ATOM 1044 C ILE A 65 -3.932 -0.490 -8.191 1.00 0.00 C ATOM 1045 O ILE A 65 -4.209 -1.042 -7.125 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.668 0.480 -7.788 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.724 1.595 -8.242 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.228 -0.859 -8.360 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.605 1.594 -7.518 1.00 0.00 C ATOM 0 H ILE A 65 -3.918 1.501 -6.412 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.105 1.201 -9.227 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.631 0.418 -6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.545 1.495 -9.313 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.212 2.558 -8.088 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.204 -1.069 -8.049 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.887 -1.646 -7.993 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.277 -0.823 -9.448 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.223 2.411 -7.891 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.437 1.725 -6.449 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.114 0.646 -7.692 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.314 -0.963 -9.371 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.100 -2.187 -9.487 1.00 0.00 C ATOM 1063 C LEU A 66 -4.198 -3.417 -9.466 1.00 0.00 C ATOM 1064 O LEU A 66 -3.454 -3.671 -10.414 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.925 -2.167 -10.775 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.333 -1.583 -10.662 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.200 -2.451 -9.764 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.278 -0.156 -10.135 1.00 0.00 C ATOM 0 H LEU A 66 -4.093 -0.518 -10.262 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.774 -2.239 -8.632 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.376 -1.597 -11.525 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.006 -3.188 -11.147 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.779 -1.565 -11.656 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.199 -2.020 -9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.266 -3.455 -10.183 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.757 -2.501 -8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.289 0.244 -10.061 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.812 -0.150 -9.149 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.693 0.461 -10.817 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.271 -4.179 -8.380 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.462 -5.385 -8.236 1.00 0.00 C ATOM 1082 C LEU A 67 -3.928 -6.471 -9.201 1.00 0.00 C ATOM 1083 O LEU A 67 -3.126 -7.159 -9.832 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.532 -5.900 -6.798 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.547 -5.273 -5.811 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.830 -5.751 -4.396 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.114 -5.598 -6.209 1.00 0.00 C ATOM 0 H LEU A 67 -4.882 -3.983 -7.587 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.429 -5.132 -8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.543 -5.737 -6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.366 -6.977 -6.811 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.675 -4.191 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.119 -5.294 -3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.843 -5.467 -4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.731 -6.836 -4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.426 -5.144 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.973 -6.679 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.915 -5.204 -7.206 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.255 -6.627 -9.320 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.857 -7.626 -10.208 1.00 0.00 C ATOM 1101 C PRO A 68 -5.247 -7.602 -11.606 1.00 0.00 C ATOM 1102 O PRO A 68 -5.288 -8.598 -12.328 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.330 -7.212 -10.260 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.565 -6.488 -8.980 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.269 -5.841 -8.598 1.00 0.00 C ATOM 0 HA PRO A 68 -5.698 -8.642 -9.846 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.531 -6.572 -11.119 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.982 -8.081 -10.349 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.349 -5.740 -9.098 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.896 -7.177 -8.203 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.245 -4.792 -8.891 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.108 -5.875 -7.520 1.00 0.00 H new ATOM 1113 N SER A 69 -4.681 -6.459 -11.980 1.00 0.00 N ATOM 1114 CA SER A 69 -4.065 -6.305 -13.293 1.00 0.00 C ATOM 1115 C SER A 69 -2.569 -6.595 -13.228 1.00 0.00 C ATOM 1116 O SER A 69 -1.953 -6.965 -14.228 1.00 0.00 O ATOM 1117 CB SER A 69 -4.300 -4.890 -13.826 1.00 0.00 C ATOM 1118 OG SER A 69 -5.631 -4.733 -14.286 1.00 0.00 O ATOM 0 H SER A 69 -4.636 -5.626 -11.393 1.00 0.00 H new ATOM 0 HA SER A 69 -4.527 -7.022 -13.971 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.095 -4.163 -13.040 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.604 -4.684 -14.639 1.00 0.00 H new ATOM 0 HG SER A 69 -5.756 -3.820 -14.620 1.00 0.00 H new ATOM 1124 N PHE A 70 -1.990 -6.423 -12.045 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.565 -6.665 -11.848 1.00 0.00 C ATOM 1126 C PHE A 70 -0.285 -8.156 -11.680 1.00 0.00 C ATOM 1127 O PHE A 70 -1.172 -8.927 -11.318 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.060 -5.898 -10.624 1.00 0.00 C ATOM 1129 CG PHE A 70 0.445 -4.521 -10.946 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.674 -4.346 -11.563 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.308 -3.401 -10.632 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.141 -3.080 -11.860 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.154 -2.132 -10.927 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.380 -1.972 -11.543 1.00 0.00 C ATOM 0 H PHE A 70 -2.485 -6.117 -11.208 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.036 -6.311 -12.733 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.867 -5.819 -9.896 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.740 -6.469 -10.152 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.273 -5.209 -11.814 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.267 -3.521 -10.151 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.101 -2.957 -12.340 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.442 -1.267 -10.676 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.743 -0.982 -11.776 1.00 0.00 H new ATOM 1144 N GLN A 71 0.956 -8.552 -11.946 1.00 0.00 N ATOM 1145 CA GLN A 71 1.353 -9.949 -11.826 1.00 0.00 C ATOM 1146 C GLN A 71 2.475 -10.110 -10.805 1.00 0.00 C ATOM 1147 O GLN A 71 3.622 -9.748 -11.067 1.00 0.00 O ATOM 1148 CB GLN A 71 1.802 -10.493 -13.183 1.00 0.00 C ATOM 1149 CG GLN A 71 2.839 -11.599 -13.083 1.00 0.00 C ATOM 1150 CD GLN A 71 2.958 -12.406 -14.362 1.00 0.00 C ATOM 1151 OE1 GLN A 71 2.258 -12.145 -15.341 1.00 0.00 O ATOM 1152 NE2 GLN A 71 3.847 -13.392 -14.360 1.00 0.00 N ATOM 0 H GLN A 71 1.703 -7.925 -12.246 1.00 0.00 H new ATOM 0 HA GLN A 71 0.489 -10.517 -11.483 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.932 -10.870 -13.720 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.212 -9.675 -13.775 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.808 -11.162 -12.842 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.576 -12.265 -12.261 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.406 -13.573 -13.526 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.971 -13.969 -15.192 1.00 0.00 H new ATOM 1161 N ILE A 72 2.135 -10.655 -9.641 1.00 0.00 N ATOM 1162 CA ILE A 72 3.114 -10.864 -8.582 1.00 0.00 C ATOM 1163 C ILE A 72 3.929 -12.129 -8.828 1.00 0.00 C ATOM 1164 O ILE A 72 3.383 -13.230 -8.888 1.00 0.00 O ATOM 1165 CB ILE A 72 2.437 -10.964 -7.202 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.251 -10.001 -7.120 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.441 -10.671 -6.097 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.619 -8.563 -7.409 1.00 0.00 C ATOM 0 H ILE A 72 1.190 -10.959 -9.408 1.00 0.00 H new ATOM 0 HA ILE A 72 3.778 -10.000 -8.591 1.00 0.00 H new ATOM 0 HB ILE A 72 2.066 -11.980 -7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.485 -10.320 -7.826 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.812 -10.062 -6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.948 -10.746 -5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.256 -11.393 -6.146 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.839 -9.664 -6.225 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.730 -7.937 -7.333 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.363 -8.226 -6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.030 -8.488 -8.416 1.00 0.00 H new ATOM 1180 N ALA A 73 5.241 -11.963 -8.969 1.00 0.00 N ATOM 1181 CA ALA A 73 6.132 -13.091 -9.205 1.00 0.00 C ATOM 1182 C ALA A 73 7.531 -12.807 -8.668 1.00 0.00 C ATOM 1183 O ALA A 73 8.033 -11.687 -8.775 1.00 0.00 O ATOM 1184 CB ALA A 73 6.191 -13.416 -10.690 1.00 0.00 C ATOM 0 H ALA A 73 5.709 -11.058 -8.924 1.00 0.00 H new ATOM 0 HA ALA A 73 5.734 -13.954 -8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.861 -14.261 -10.851 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.193 -13.671 -11.047 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.562 -12.550 -11.238 1.00 0.00 H new ATOM 1190 N LEU A 74 8.157 -13.827 -8.091 1.00 0.00 N ATOM 1191 CA LEU A 74 9.499 -13.686 -7.536 1.00 0.00 C ATOM 1192 C LEU A 74 10.484 -13.227 -8.606 1.00 0.00 C ATOM 1193 O LEU A 74 10.512 -13.767 -9.713 1.00 0.00 O ATOM 1194 CB LEU A 74 9.964 -15.013 -6.933 1.00 0.00 C ATOM 1195 CG LEU A 74 9.434 -15.338 -5.536 1.00 0.00 C ATOM 1196 CD1 LEU A 74 10.289 -14.666 -4.472 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.980 -14.909 -5.404 1.00 0.00 C ATOM 0 H LEU A 74 7.757 -14.760 -7.995 1.00 0.00 H new ATOM 0 HA LEU A 74 9.465 -12.930 -6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.671 -15.818 -7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.053 -15.010 -6.895 1.00 0.00 H new ATOM 0 HG LEU A 74 9.488 -16.417 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.897 -14.908 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.316 -15.022 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.267 -13.586 -4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.620 -15.148 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.901 -13.835 -5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.377 -15.436 -6.143 1.00 0.00 H new ATOM 1209 N LEU A 75 11.294 -12.230 -8.268 1.00 0.00 N ATOM 1210 CA LEU A 75 12.284 -11.699 -9.198 1.00 0.00 C ATOM 1211 C LEU A 75 13.026 -12.828 -9.907 1.00 0.00 C ATOM 1212 O LEU A 75 13.110 -13.947 -9.398 1.00 0.00 O ATOM 1213 CB LEU A 75 13.281 -10.805 -8.458 1.00 0.00 C ATOM 1214 CG LEU A 75 12.676 -9.710 -7.579 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.769 -8.826 -7.000 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.679 -8.878 -8.374 1.00 0.00 C ATOM 0 H LEU A 75 11.285 -11.773 -7.356 1.00 0.00 H new ATOM 0 HA LEU A 75 11.760 -11.106 -9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.912 -11.438 -7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.932 -10.334 -9.194 1.00 0.00 H new ATOM 0 HG LEU A 75 12.146 -10.185 -6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.320 -8.052 -6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.445 -9.431 -6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.328 -8.359 -7.811 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.258 -8.104 -7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.186 -8.413 -9.220 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.878 -9.521 -8.740 1.00 0.00 H new ATOM 1377 N TYR A 85 14.650 -10.617 -0.713 1.00 0.00 N ATOM 1378 CA TYR A 85 13.355 -10.532 -0.049 1.00 0.00 C ATOM 1379 C TYR A 85 12.466 -9.489 -0.721 1.00 0.00 C ATOM 1380 O TYR A 85 11.699 -8.791 -0.059 1.00 0.00 O ATOM 1381 CB TYR A 85 13.537 -10.185 1.429 1.00 0.00 C ATOM 1382 CG TYR A 85 14.016 -11.348 2.269 1.00 0.00 C ATOM 1383 CD1 TYR A 85 14.829 -12.335 1.725 1.00 0.00 C ATOM 1384 CD2 TYR A 85 13.654 -11.461 3.605 1.00 0.00 C ATOM 1385 CE1 TYR A 85 15.268 -13.400 2.488 1.00 0.00 C ATOM 1386 CE2 TYR A 85 14.089 -12.522 4.376 1.00 0.00 C ATOM 1387 CZ TYR A 85 14.896 -13.488 3.813 1.00 0.00 C ATOM 1388 OH TYR A 85 15.331 -14.547 4.577 1.00 0.00 O ATOM 0 HA TYR A 85 12.870 -11.505 -0.130 1.00 0.00 H new ATOM 0 HB2 TYR A 85 14.251 -9.366 1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.589 -9.825 1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 85 15.123 -12.268 0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 85 13.022 -10.707 4.049 1.00 0.00 H new ATOM 0 HE1 TYR A 85 15.899 -14.159 2.049 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.799 -12.594 5.414 1.00 0.00 H new ATOM 0 HH TYR A 85 14.981 -14.459 5.488 1.00 0.00 H new ATOM 1398 N ALA A 86 12.576 -9.391 -2.042 1.00 0.00 N ATOM 1399 CA ALA A 86 11.782 -8.437 -2.806 1.00 0.00 C ATOM 1400 C ALA A 86 11.117 -9.109 -4.003 1.00 0.00 C ATOM 1401 O ALA A 86 11.568 -10.155 -4.469 1.00 0.00 O ATOM 1402 CB ALA A 86 12.650 -7.275 -3.265 1.00 0.00 C ATOM 0 H ALA A 86 13.207 -9.961 -2.605 1.00 0.00 H new ATOM 0 HA ALA A 86 10.996 -8.054 -2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.044 -6.571 -3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.072 -6.771 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.457 -7.650 -3.894 1.00 0.00 H new ATOM 1408 N PHE A 87 10.042 -8.502 -4.495 1.00 0.00 N ATOM 1409 CA PHE A 87 9.315 -9.043 -5.637 1.00 0.00 C ATOM 1410 C PHE A 87 9.015 -7.950 -6.658 1.00 0.00 C ATOM 1411 O PHE A 87 9.362 -6.785 -6.459 1.00 0.00 O ATOM 1412 CB PHE A 87 8.010 -9.696 -5.174 1.00 0.00 C ATOM 1413 CG PHE A 87 7.326 -8.948 -4.066 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.791 -9.034 -2.764 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.217 -8.159 -4.326 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.164 -8.347 -1.742 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.586 -7.470 -3.309 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.059 -7.565 -2.014 1.00 0.00 C ATOM 0 H PHE A 87 9.655 -7.636 -4.121 1.00 0.00 H new ATOM 0 HA PHE A 87 9.943 -9.797 -6.112 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.331 -9.773 -6.023 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.220 -10.712 -4.840 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.654 -9.645 -2.545 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.842 -8.082 -5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.538 -8.422 -0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.723 -6.857 -3.526 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.566 -7.029 -1.217 1.00 0.00 H new ATOM 1428 N LYS A 88 8.369 -8.334 -7.754 1.00 0.00 N ATOM 1429 CA LYS A 88 8.021 -7.388 -8.809 1.00 0.00 C ATOM 1430 C LYS A 88 6.619 -7.661 -9.342 1.00 0.00 C ATOM 1431 O LYS A 88 6.119 -8.782 -9.256 1.00 0.00 O ATOM 1432 CB LYS A 88 9.037 -7.469 -9.950 1.00 0.00 C ATOM 1433 CG LYS A 88 8.920 -8.736 -10.781 1.00 0.00 C ATOM 1434 CD LYS A 88 9.466 -8.534 -12.184 1.00 0.00 C ATOM 1435 CE LYS A 88 9.444 -9.829 -12.982 1.00 0.00 C ATOM 1436 NZ LYS A 88 10.640 -10.672 -12.705 1.00 0.00 N ATOM 0 H LYS A 88 8.076 -9.294 -7.935 1.00 0.00 H new ATOM 0 HA LYS A 88 8.040 -6.384 -8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.909 -6.604 -10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.043 -7.409 -9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.462 -9.545 -10.291 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.875 -9.041 -10.837 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.875 -7.777 -12.700 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.487 -8.157 -12.128 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.541 -10.389 -12.740 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.401 -9.599 -14.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.704 -11.428 -13.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.497 -10.084 -12.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.556 -11.094 -11.758 1.00 0.00 H new ATOM 1450 N ALA A 89 5.990 -6.628 -9.895 1.00 0.00 N ATOM 1451 CA ALA A 89 4.647 -6.758 -10.446 1.00 0.00 C ATOM 1452 C ALA A 89 4.612 -6.341 -11.912 1.00 0.00 C ATOM 1453 O ALA A 89 5.066 -5.254 -12.268 1.00 0.00 O ATOM 1454 CB ALA A 89 3.662 -5.928 -9.635 1.00 0.00 C ATOM 0 H ALA A 89 6.389 -5.693 -9.973 1.00 0.00 H new ATOM 0 HA ALA A 89 4.357 -7.807 -10.387 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.663 -6.034 -10.057 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.658 -6.275 -8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.959 -4.880 -9.664 1.00 0.00 H new ATOM 1460 N ALA A 90 4.071 -7.211 -12.758 1.00 0.00 N ATOM 1461 CA ALA A 90 3.976 -6.932 -14.185 1.00 0.00 C ATOM 1462 C ALA A 90 2.578 -6.450 -14.558 1.00 0.00 C ATOM 1463 O ALA A 90 1.577 -7.042 -14.153 1.00 0.00 O ATOM 1464 CB ALA A 90 4.342 -8.170 -14.990 1.00 0.00 C ATOM 0 H ALA A 90 3.692 -8.116 -12.479 1.00 0.00 H new ATOM 0 HA ALA A 90 4.682 -6.136 -14.423 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.267 -7.947 -16.054 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.363 -8.469 -14.753 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.659 -8.982 -14.740 1.00 0.00 H new ATOM 1470 N HIS A 91 2.516 -5.371 -15.332 1.00 0.00 N ATOM 1471 CA HIS A 91 1.240 -4.809 -15.760 1.00 0.00 C ATOM 1472 C HIS A 91 1.200 -4.644 -17.277 1.00 0.00 C ATOM 1473 O HIS A 91 2.182 -4.255 -17.909 1.00 0.00 O ATOM 1474 CB HIS A 91 1.000 -3.460 -15.082 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.445 -3.072 -15.015 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -1.115 -2.478 -16.063 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.350 -3.199 -14.015 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.369 -2.255 -15.711 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.537 -2.683 -14.473 1.00 0.00 N ATOM 0 H HIS A 91 3.334 -4.869 -15.676 1.00 0.00 H new ATOM 0 HA HIS A 91 0.450 -5.500 -15.467 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.406 -3.493 -14.071 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.550 -2.689 -15.621 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.171 -3.626 -13.039 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.128 -1.800 -16.331 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.407 -2.638 -13.943 1.00 0.00 H new ATOM 1488 N PRO A 92 0.039 -4.948 -17.875 1.00 0.00 N ATOM 1489 CA PRO A 92 -0.157 -4.842 -19.324 1.00 0.00 C ATOM 1490 C PRO A 92 -0.296 -3.395 -19.785 1.00 0.00 C ATOM 1491 O PRO A 92 0.368 -2.968 -20.728 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.460 -5.607 -19.563 1.00 0.00 C ATOM 1493 CG PRO A 92 -2.210 -5.488 -18.281 1.00 0.00 C ATOM 1494 CD PRO A 92 -1.173 -5.419 -17.183 1.00 0.00 C ATOM 0 HA PRO A 92 0.693 -5.237 -19.880 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.024 -5.180 -20.392 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.266 -6.650 -19.813 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.837 -4.596 -18.279 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.871 -6.343 -18.137 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.474 -4.733 -16.391 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.016 -6.393 -16.719 1.00 0.00 H new ATOM 1502 N ASN A 93 -1.164 -2.646 -19.113 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.391 -1.246 -19.455 1.00 0.00 C ATOM 1504 C ASN A 93 -0.420 -0.339 -18.705 1.00 0.00 C ATOM 1505 O ASN A 93 -0.560 0.884 -18.719 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.832 -0.847 -19.133 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.770 -1.075 -20.302 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -3.387 -0.914 -21.461 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -5.008 -1.453 -20.003 1.00 0.00 N ATOM 0 H ASN A 93 -1.722 -2.984 -18.329 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.219 -1.127 -20.525 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.181 -1.419 -18.274 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.860 0.205 -18.848 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.684 -1.622 -20.748 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.283 -1.574 -19.028 1.00 0.00 H new ATOM 1516 N MET A 94 0.563 -0.947 -18.050 1.00 0.00 N ATOM 1517 CA MET A 94 1.558 -0.194 -17.295 1.00 0.00 C ATOM 1518 C MET A 94 2.903 -0.913 -17.300 1.00 0.00 C ATOM 1519 O MET A 94 3.052 -1.967 -17.918 1.00 0.00 O ATOM 1520 CB MET A 94 1.085 0.017 -15.855 1.00 0.00 C ATOM 1521 CG MET A 94 0.236 1.264 -15.671 1.00 0.00 C ATOM 1522 SD MET A 94 -0.047 1.661 -13.935 1.00 0.00 S ATOM 1523 CE MET A 94 -0.908 0.190 -13.387 1.00 0.00 C ATOM 0 H MET A 94 0.692 -1.959 -18.027 1.00 0.00 H new ATOM 0 HA MET A 94 1.683 0.777 -17.775 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.511 -0.854 -15.539 1.00 0.00 H new ATOM 0 HB3 MET A 94 1.955 0.080 -15.201 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.726 2.107 -16.157 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.723 1.122 -16.168 1.00 0.00 H new ATOM 0 HE1 MET A 94 -1.276 0.341 -12.372 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.748 -0.009 -14.052 1.00 0.00 H new ATOM 0 HE3 MET A 94 -0.224 -0.659 -13.402 1.00 0.00 H new ATOM 1533 N ARG A 95 3.880 -0.336 -16.608 1.00 0.00 N ATOM 1534 CA ARG A 95 5.214 -0.921 -16.535 1.00 0.00 C ATOM 1535 C ARG A 95 5.308 -1.916 -15.382 1.00 0.00 C ATOM 1536 O ARG A 95 4.327 -2.166 -14.680 1.00 0.00 O ATOM 1537 CB ARG A 95 6.267 0.175 -16.364 1.00 0.00 C ATOM 1538 CG ARG A 95 5.930 1.178 -15.272 1.00 0.00 C ATOM 1539 CD ARG A 95 7.179 1.859 -14.736 1.00 0.00 C ATOM 1540 NE ARG A 95 7.971 0.965 -13.895 1.00 0.00 N ATOM 1541 CZ ARG A 95 9.092 1.332 -13.283 1.00 0.00 C ATOM 1542 NH1 ARG A 95 9.549 2.569 -13.418 1.00 0.00 N ATOM 1543 NH2 ARG A 95 9.757 0.461 -12.535 1.00 0.00 N ATOM 0 H ARG A 95 3.773 0.536 -16.090 1.00 0.00 H new ATOM 0 HA ARG A 95 5.402 -1.452 -17.468 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.227 -0.288 -16.137 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.384 0.705 -17.309 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.245 1.929 -15.665 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.413 0.671 -14.458 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.789 2.207 -15.570 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.893 2.740 -14.161 1.00 0.00 H new ATOM 0 HE ARG A 95 7.646 0.006 -13.771 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.040 3.241 -13.992 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.410 2.849 -12.947 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.408 -0.492 -12.429 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.617 0.744 -12.066 1.00 0.00 H new ATOM 1557 N THR A 96 6.495 -2.484 -15.192 1.00 0.00 N ATOM 1558 CA THR A 96 6.718 -3.452 -14.126 1.00 0.00 C ATOM 1559 C THR A 96 7.157 -2.763 -12.840 1.00 0.00 C ATOM 1560 O THR A 96 8.176 -2.072 -12.811 1.00 0.00 O ATOM 1561 CB THR A 96 7.780 -4.494 -14.527 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.432 -5.092 -15.780 1.00 0.00 O ATOM 1563 CG2 THR A 96 7.909 -5.572 -13.462 1.00 0.00 C ATOM 0 H THR A 96 7.317 -2.290 -15.763 1.00 0.00 H new ATOM 0 HA THR A 96 5.768 -3.959 -13.956 1.00 0.00 H new ATOM 0 HB THR A 96 8.739 -3.984 -14.623 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.113 -5.752 -16.028 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.664 -6.296 -13.767 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.204 -5.116 -12.517 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.951 -6.077 -13.338 1.00 0.00 H new ATOM 1571 N TYR A 97 6.384 -2.956 -11.777 1.00 0.00 N ATOM 1572 CA TYR A 97 6.693 -2.351 -10.487 1.00 0.00 C ATOM 1573 C TYR A 97 7.571 -3.275 -9.649 1.00 0.00 C ATOM 1574 O TYR A 97 7.704 -4.462 -9.946 1.00 0.00 O ATOM 1575 CB TYR A 97 5.404 -2.028 -9.729 1.00 0.00 C ATOM 1576 CG TYR A 97 4.689 -0.800 -10.247 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.526 -0.590 -11.611 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.176 0.149 -9.372 1.00 0.00 C ATOM 1579 CE1 TYR A 97 3.874 0.531 -12.088 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.521 1.272 -9.840 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.373 1.458 -11.198 1.00 0.00 C ATOM 1582 OH TYR A 97 2.722 2.575 -11.669 1.00 0.00 O ATOM 0 H TYR A 97 5.539 -3.527 -11.783 1.00 0.00 H new ATOM 0 HA TYR A 97 7.240 -1.426 -10.670 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.731 -2.883 -9.792 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.639 -1.884 -8.674 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.916 -1.315 -12.310 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.291 0.007 -8.308 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.757 0.680 -13.151 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.127 2.000 -9.146 1.00 0.00 H new ATOM 0 HH TYR A 97 1.995 2.302 -12.267 1.00 0.00 H new ATOM 1592 N TYR A 98 8.168 -2.721 -8.599 1.00 0.00 N ATOM 1593 CA TYR A 98 9.035 -3.493 -7.717 1.00 0.00 C ATOM 1594 C TYR A 98 8.814 -3.105 -6.259 1.00 0.00 C ATOM 1595 O TYR A 98 8.736 -1.923 -5.923 1.00 0.00 O ATOM 1596 CB TYR A 98 10.502 -3.281 -8.096 1.00 0.00 C ATOM 1597 CG TYR A 98 10.884 -3.913 -9.415 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.481 -3.351 -10.620 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.648 -5.073 -9.457 1.00 0.00 C ATOM 1600 CE1 TYR A 98 10.828 -3.925 -11.828 1.00 0.00 C ATOM 1601 CE2 TYR A 98 12.000 -5.654 -10.660 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.588 -5.076 -11.842 1.00 0.00 C ATOM 1603 OH TYR A 98 11.935 -5.652 -13.043 1.00 0.00 O ATOM 0 H TYR A 98 8.067 -1.740 -8.338 1.00 0.00 H new ATOM 0 HA TYR A 98 8.784 -4.547 -7.835 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.705 -2.211 -8.143 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.135 -3.692 -7.309 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.886 -2.450 -10.612 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.972 -5.528 -8.533 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.506 -3.475 -12.756 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.594 -6.556 -10.674 1.00 0.00 H new ATOM 0 HH TYR A 98 12.472 -6.455 -12.878 1.00 0.00 H new ATOM 1613 N PHE A 99 8.713 -4.110 -5.395 1.00 0.00 N ATOM 1614 CA PHE A 99 8.500 -3.875 -3.971 1.00 0.00 C ATOM 1615 C PHE A 99 9.405 -4.772 -3.131 1.00 0.00 C ATOM 1616 O PHE A 99 9.595 -5.948 -3.444 1.00 0.00 O ATOM 1617 CB PHE A 99 7.036 -4.124 -3.605 1.00 0.00 C ATOM 1618 CG PHE A 99 6.064 -3.539 -4.590 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.761 -2.187 -4.565 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.454 -4.341 -5.541 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.868 -1.646 -5.470 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.560 -3.805 -6.449 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.266 -2.456 -6.413 1.00 0.00 C ATOM 0 H PHE A 99 8.775 -5.094 -5.656 1.00 0.00 H new ATOM 0 HA PHE A 99 8.749 -2.835 -3.758 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.866 -5.198 -3.533 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.840 -3.703 -2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.228 -1.549 -3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.679 -5.397 -5.573 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.641 -0.591 -5.440 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.092 -4.441 -7.186 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.567 -2.035 -7.121 1.00 0.00 H new ATOM 1633 N CYS A 100 9.961 -4.208 -2.065 1.00 0.00 N ATOM 1634 CA CYS A 100 10.848 -4.955 -1.180 1.00 0.00 C ATOM 1635 C CYS A 100 10.531 -4.660 0.283 1.00 0.00 C ATOM 1636 O CYS A 100 9.881 -3.663 0.600 1.00 0.00 O ATOM 1637 CB CYS A 100 12.308 -4.611 -1.477 1.00 0.00 C ATOM 1638 SG CYS A 100 12.809 -2.967 -0.914 1.00 0.00 S ATOM 0 H CYS A 100 9.814 -3.236 -1.792 1.00 0.00 H new ATOM 0 HA CYS A 100 10.689 -6.018 -1.361 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.949 -5.356 -1.005 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.475 -4.682 -2.552 1.00 0.00 H new ATOM 0 HG CYS A 100 12.884 -2.164 -1.933 1.00 0.00 H new ATOM 1644 N THR A 101 10.993 -5.534 1.172 1.00 0.00 N ATOM 1645 CA THR A 101 10.757 -5.369 2.600 1.00 0.00 C ATOM 1646 C THR A 101 12.056 -5.487 3.389 1.00 0.00 C ATOM 1647 O THR A 101 13.125 -5.694 2.816 1.00 0.00 O ATOM 1648 CB THR A 101 9.753 -6.412 3.127 1.00 0.00 C ATOM 1649 OG1 THR A 101 10.105 -7.716 2.651 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.337 -6.071 2.687 1.00 0.00 C ATOM 0 H THR A 101 11.533 -6.364 0.927 1.00 0.00 H new ATOM 0 HA THR A 101 10.340 -4.371 2.739 1.00 0.00 H new ATOM 0 HB THR A 101 9.791 -6.401 4.216 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.330 -8.292 3.411 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.646 -6.821 3.071 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.061 -5.091 3.076 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.288 -6.056 1.598 1.00 0.00 H new ATOM 1658 N ASP A 102 11.956 -5.353 4.707 1.00 0.00 N ATOM 1659 CA ASP A 102 13.123 -5.446 5.576 1.00 0.00 C ATOM 1660 C ASP A 102 13.377 -6.892 5.992 1.00 0.00 C ATOM 1661 O ASP A 102 14.523 -7.306 6.173 1.00 0.00 O ATOM 1662 CB ASP A 102 12.934 -4.572 6.816 1.00 0.00 C ATOM 1663 CG ASP A 102 14.240 -3.989 7.319 1.00 0.00 C ATOM 1664 OD1 ASP A 102 15.104 -3.660 6.480 1.00 0.00 O ATOM 1665 OD2 ASP A 102 14.399 -3.864 8.552 1.00 0.00 O ATOM 0 H ASP A 102 11.078 -5.180 5.197 1.00 0.00 H new ATOM 0 HA ASP A 102 13.989 -5.089 5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 102 12.243 -3.761 6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.475 -5.164 7.608 1.00 0.00 H new ATOM 1670 N THR A 103 12.300 -7.657 6.143 1.00 0.00 N ATOM 1671 CA THR A 103 12.406 -9.055 6.540 1.00 0.00 C ATOM 1672 C THR A 103 11.511 -9.940 5.679 1.00 0.00 C ATOM 1673 O THR A 103 10.768 -9.449 4.830 1.00 0.00 O ATOM 1674 CB THR A 103 12.028 -9.249 8.021 1.00 0.00 C ATOM 1675 OG1 THR A 103 10.628 -9.526 8.138 1.00 0.00 O ATOM 1676 CG2 THR A 103 12.375 -8.011 8.834 1.00 0.00 C ATOM 0 H THR A 103 11.345 -7.331 5.996 1.00 0.00 H new ATOM 0 HA THR A 103 13.447 -9.346 6.397 1.00 0.00 H new ATOM 0 HB THR A 103 12.598 -10.092 8.411 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.397 -9.650 9.082 1.00 0.00 H new ATOM 0 HG21 THR A 103 12.099 -8.171 9.876 1.00 0.00 H new ATOM 0 HG22 THR A 103 13.446 -7.820 8.767 1.00 0.00 H new ATOM 0 HG23 THR A 103 11.829 -7.153 8.442 1.00 0.00 H new ATOM 1684 N GLY A 104 11.586 -11.248 5.905 1.00 0.00 N ATOM 1685 CA GLY A 104 10.777 -12.181 5.143 1.00 0.00 C ATOM 1686 C GLY A 104 9.296 -12.031 5.428 1.00 0.00 C ATOM 1687 O GLY A 104 8.476 -12.028 4.510 1.00 0.00 O ATOM 0 H GLY A 104 12.193 -11.678 6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.956 -12.028 4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.087 -13.200 5.375 1.00 0.00 H new ATOM 1691 N LYS A 105 8.951 -11.908 6.705 1.00 0.00 N ATOM 1692 CA LYS A 105 7.558 -11.758 7.111 1.00 0.00 C ATOM 1693 C LYS A 105 6.917 -10.559 6.420 1.00 0.00 C ATOM 1694 O LYS A 105 5.949 -10.706 5.674 1.00 0.00 O ATOM 1695 CB LYS A 105 7.462 -11.597 8.630 1.00 0.00 C ATOM 1696 CG LYS A 105 6.117 -12.008 9.202 1.00 0.00 C ATOM 1697 CD LYS A 105 5.123 -10.859 9.170 1.00 0.00 C ATOM 1698 CE LYS A 105 5.214 -10.008 10.428 1.00 0.00 C ATOM 1699 NZ LYS A 105 6.528 -9.315 10.535 1.00 0.00 N ATOM 0 H LYS A 105 9.617 -11.909 7.477 1.00 0.00 H new ATOM 0 HA LYS A 105 7.020 -12.658 6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.244 -12.193 9.100 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.655 -10.556 8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.721 -12.849 8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.246 -12.350 10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.312 -10.238 8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.112 -11.254 9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.413 -9.269 10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.063 -10.638 11.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.481 -8.595 11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.268 -10.008 10.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.754 -8.857 9.629 1.00 0.00 H new ATOM 1713 N GLU A 106 7.463 -9.374 6.673 1.00 0.00 N ATOM 1714 CA GLU A 106 6.943 -8.150 6.075 1.00 0.00 C ATOM 1715 C GLU A 106 6.633 -8.358 4.595 1.00 0.00 C ATOM 1716 O GLU A 106 5.829 -7.632 4.010 1.00 0.00 O ATOM 1717 CB GLU A 106 7.947 -7.008 6.241 1.00 0.00 C ATOM 1718 CG GLU A 106 7.800 -6.255 7.553 1.00 0.00 C ATOM 1719 CD GLU A 106 8.309 -4.829 7.468 1.00 0.00 C ATOM 1720 OE1 GLU A 106 9.118 -4.540 6.561 1.00 0.00 O ATOM 1721 OE2 GLU A 106 7.897 -4.002 8.308 1.00 0.00 O ATOM 0 H GLU A 106 8.265 -9.236 7.288 1.00 0.00 H new ATOM 0 HA GLU A 106 6.019 -7.888 6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.958 -7.411 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.828 -6.308 5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.750 -6.245 7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.344 -6.785 8.335 1.00 0.00 H new ATOM 1728 N MET A 107 7.277 -9.354 3.996 1.00 0.00 N ATOM 1729 CA MET A 107 7.070 -9.658 2.584 1.00 0.00 C ATOM 1730 C MET A 107 5.929 -10.653 2.404 1.00 0.00 C ATOM 1731 O MET A 107 5.193 -10.595 1.420 1.00 0.00 O ATOM 1732 CB MET A 107 8.353 -10.218 1.968 1.00 0.00 C ATOM 1733 CG MET A 107 8.107 -11.128 0.775 1.00 0.00 C ATOM 1734 SD MET A 107 9.546 -11.265 -0.302 1.00 0.00 S ATOM 1735 CE MET A 107 9.302 -12.902 -0.987 1.00 0.00 C ATOM 0 H MET A 107 7.946 -9.964 4.465 1.00 0.00 H new ATOM 0 HA MET A 107 6.805 -8.732 2.074 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.989 -9.389 1.657 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.901 -10.772 2.730 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.829 -12.120 1.131 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.263 -10.747 0.200 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.203 -13.497 -0.838 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.462 -13.384 -0.487 1.00 0.00 H new ATOM 0 HE3 MET A 107 9.092 -12.822 -2.054 1.00 0.00 H new ATOM 1745 N GLU A 108 5.788 -11.565 3.361 1.00 0.00 N ATOM 1746 CA GLU A 108 4.736 -12.573 3.306 1.00 0.00 C ATOM 1747 C GLU A 108 3.363 -11.939 3.514 1.00 0.00 C ATOM 1748 O GLU A 108 2.399 -12.280 2.826 1.00 0.00 O ATOM 1749 CB GLU A 108 4.977 -13.652 4.364 1.00 0.00 C ATOM 1750 CG GLU A 108 4.295 -13.366 5.691 1.00 0.00 C ATOM 1751 CD GLU A 108 4.724 -14.324 6.786 1.00 0.00 C ATOM 1752 OE1 GLU A 108 5.923 -14.670 6.835 1.00 0.00 O ATOM 1753 OE2 GLU A 108 3.861 -14.729 7.592 1.00 0.00 O ATOM 0 H GLU A 108 6.389 -11.626 4.183 1.00 0.00 H new ATOM 0 HA GLU A 108 4.759 -13.032 2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.623 -14.609 3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.049 -13.753 4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.520 -12.345 5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.215 -13.429 5.561 1.00 0.00 H new ATOM 1760 N LEU A 109 3.282 -11.017 4.466 1.00 0.00 N ATOM 1761 CA LEU A 109 2.028 -10.335 4.766 1.00 0.00 C ATOM 1762 C LEU A 109 1.540 -9.537 3.560 1.00 0.00 C ATOM 1763 O LEU A 109 0.338 -9.433 3.318 1.00 0.00 O ATOM 1764 CB LEU A 109 2.205 -9.406 5.968 1.00 0.00 C ATOM 1765 CG LEU A 109 2.827 -10.034 7.216 1.00 0.00 C ATOM 1766 CD1 LEU A 109 2.961 -9.001 8.323 1.00 0.00 C ATOM 1767 CD2 LEU A 109 1.997 -11.219 7.687 1.00 0.00 C ATOM 0 H LEU A 109 4.070 -10.724 5.044 1.00 0.00 H new ATOM 0 HA LEU A 109 1.280 -11.091 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.825 -8.563 5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.229 -9.002 6.237 1.00 0.00 H new ATOM 0 HG LEU A 109 3.824 -10.393 6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.405 -9.466 9.203 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.598 -8.184 7.983 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.976 -8.611 8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.455 -11.653 8.576 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.987 -10.884 7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.954 -11.969 6.898 1.00 0.00 H new ATOM 1779 N TRP A 110 2.481 -8.979 2.807 1.00 0.00 N ATOM 1780 CA TRP A 110 2.146 -8.193 1.625 1.00 0.00 C ATOM 1781 C TRP A 110 1.778 -9.099 0.455 1.00 0.00 C ATOM 1782 O TRP A 110 0.789 -8.863 -0.237 1.00 0.00 O ATOM 1783 CB TRP A 110 3.320 -7.292 1.238 1.00 0.00 C ATOM 1784 CG TRP A 110 3.275 -5.944 1.893 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.262 -5.359 2.633 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.185 -5.016 1.869 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.852 -4.123 3.070 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.582 -3.888 2.614 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.914 -5.026 1.288 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.752 -2.785 2.794 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.091 -3.930 1.468 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.513 -2.822 2.214 1.00 0.00 C ATOM 0 H TRP A 110 3.481 -9.056 2.993 1.00 0.00 H new ATOM 0 HA TRP A 110 1.283 -7.572 1.865 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.253 -7.788 1.506 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.328 -7.162 0.156 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.224 -5.803 2.844 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.404 -3.484 3.642 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.581 -5.875 0.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.074 -1.931 3.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.894 -3.928 1.026 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.153 -1.980 2.334 1.00 0.00 H new ATOM 1803 N MET A 111 2.581 -10.136 0.240 1.00 0.00 N ATOM 1804 CA MET A 111 2.337 -11.079 -0.846 1.00 0.00 C ATOM 1805 C MET A 111 0.995 -11.780 -0.667 1.00 0.00 C ATOM 1806 O MET A 111 0.074 -11.594 -1.462 1.00 0.00 O ATOM 1807 CB MET A 111 3.462 -12.113 -0.915 1.00 0.00 C ATOM 1808 CG MET A 111 4.751 -11.571 -1.510 1.00 0.00 C ATOM 1809 SD MET A 111 5.847 -12.876 -2.099 1.00 0.00 S ATOM 1810 CE MET A 111 5.967 -12.460 -3.837 1.00 0.00 C ATOM 0 H MET A 111 3.406 -10.345 0.803 1.00 0.00 H new ATOM 0 HA MET A 111 2.311 -10.519 -1.781 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.664 -12.486 0.089 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.127 -12.963 -1.509 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.512 -10.902 -2.337 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.271 -10.976 -0.759 1.00 0.00 H new ATOM 0 HE1 MET A 111 5.454 -13.218 -4.429 1.00 0.00 H new ATOM 0 HE2 MET A 111 5.504 -11.489 -4.012 1.00 0.00 H new ATOM 0 HE3 MET A 111 7.016 -12.419 -4.130 1.00 0.00 H new ATOM 1820 N LYS A 112 0.891 -12.588 0.383 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.339 -13.318 0.669 1.00 0.00 C ATOM 1822 C LYS A 112 -1.563 -12.490 0.290 1.00 0.00 C ATOM 1823 O LYS A 112 -2.510 -13.003 -0.305 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.401 -13.693 2.151 1.00 0.00 C ATOM 1825 CG LYS A 112 0.484 -14.871 2.519 1.00 0.00 C ATOM 1826 CD LYS A 112 -0.037 -16.167 1.921 1.00 0.00 C ATOM 1827 CE LYS A 112 0.523 -17.381 2.648 1.00 0.00 C ATOM 1828 NZ LYS A 112 -0.153 -17.603 3.956 1.00 0.00 N ATOM 0 H LYS A 112 1.644 -12.754 1.050 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.339 -14.229 0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.108 -12.829 2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.432 -13.928 2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.499 -14.689 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.535 -14.964 3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.126 -16.181 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.233 -16.217 0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.404 -18.266 2.023 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.592 -17.246 2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.158 -18.510 4.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.093 -16.832 4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -1.183 -17.622 3.816 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.535 -11.208 0.639 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.641 -10.309 0.332 1.00 0.00 C ATOM 1844 C ALA A 113 -2.617 -9.889 -1.134 1.00 0.00 C ATOM 1845 O ALA A 113 -3.508 -10.243 -1.905 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.592 -9.086 1.235 1.00 0.00 C ATOM 0 H ALA A 113 -0.759 -10.769 1.134 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.573 -10.844 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.423 -8.423 0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.667 -9.399 2.276 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.651 -8.558 1.082 1.00 0.00 H new ATOM 1852 N MET A 114 -1.592 -9.132 -1.511 1.00 0.00 N ATOM 1853 CA MET A 114 -1.453 -8.664 -2.885 1.00 0.00 C ATOM 1854 C MET A 114 -1.927 -9.727 -3.871 1.00 0.00 C ATOM 1855 O MET A 114 -2.803 -9.473 -4.699 1.00 0.00 O ATOM 1856 CB MET A 114 0.003 -8.295 -3.175 1.00 0.00 C ATOM 1857 CG MET A 114 0.419 -6.956 -2.588 1.00 0.00 C ATOM 1858 SD MET A 114 1.910 -6.294 -3.357 1.00 0.00 S ATOM 1859 CE MET A 114 2.632 -5.401 -1.982 1.00 0.00 C ATOM 0 H MET A 114 -0.846 -8.830 -0.885 1.00 0.00 H new ATOM 0 HA MET A 114 -2.076 -7.778 -3.006 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.653 -9.074 -2.777 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.156 -8.273 -4.254 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.395 -6.242 -2.709 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.587 -7.070 -1.517 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.482 -4.331 -2.124 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.154 -5.714 -1.054 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.700 -5.614 -1.930 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.343 -10.916 -3.779 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.705 -12.018 -4.664 1.00 0.00 C ATOM 1871 C LEU A 115 -3.219 -12.202 -4.712 1.00 0.00 C ATOM 1872 O LEU A 115 -3.825 -12.159 -5.783 1.00 0.00 O ATOM 1873 CB LEU A 115 -1.038 -13.313 -4.198 1.00 0.00 C ATOM 1874 CG LEU A 115 0.344 -13.604 -4.786 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.275 -13.674 -6.303 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.345 -12.547 -4.344 1.00 0.00 C ATOM 0 H LEU A 115 -0.616 -11.142 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.354 -11.776 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.950 -13.283 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.697 -14.146 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 115 0.679 -14.572 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.267 -13.882 -6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.410 -14.469 -6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.082 -12.722 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.322 -12.770 -4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.014 -11.567 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.417 -12.546 -3.256 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.823 -12.404 -3.546 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.266 -12.591 -3.455 1.00 0.00 C ATOM 1890 C ASP A 116 -6.004 -11.518 -4.249 1.00 0.00 C ATOM 1891 O ASP A 116 -7.135 -11.725 -4.689 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.714 -12.560 -1.993 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.942 -13.413 -1.746 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -8.066 -12.916 -1.970 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -6.780 -14.579 -1.329 1.00 0.00 O ATOM 0 H ASP A 116 -3.335 -12.442 -2.651 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.509 -13.564 -3.881 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.899 -12.909 -1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.926 -11.531 -1.703 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.357 -10.371 -4.429 1.00 0.00 N ATOM 1901 CA ALA A 117 -5.951 -9.267 -5.171 1.00 0.00 C ATOM 1902 C ALA A 117 -5.475 -9.259 -6.620 1.00 0.00 C ATOM 1903 O ALA A 117 -6.122 -8.681 -7.492 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.623 -7.942 -4.498 1.00 0.00 C ATOM 0 H ALA A 117 -4.421 -10.183 -4.071 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.032 -9.403 -5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.073 -7.126 -5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.019 -7.942 -3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.542 -7.808 -4.466 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.340 -9.904 -6.868 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.778 -9.972 -8.211 1.00 0.00 C ATOM 1912 C ALA A 118 -4.383 -11.128 -9.001 1.00 0.00 C ATOM 1913 O ALA A 118 -4.909 -10.936 -10.098 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.265 -10.111 -8.144 1.00 0.00 C ATOM 0 H ALA A 118 -3.792 -10.387 -6.156 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.024 -9.045 -8.728 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.859 -10.161 -9.154 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.843 -9.250 -7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.007 -11.022 -7.604 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.304 -12.329 -8.437 1.00 0.00 N ATOM 1921 CA LEU A 119 -4.843 -13.517 -9.089 1.00 0.00 C ATOM 1922 C LEU A 119 -6.243 -13.251 -9.635 1.00 0.00 C ATOM 1923 O LEU A 119 -6.712 -13.946 -10.536 1.00 0.00 O ATOM 1924 CB LEU A 119 -4.881 -14.689 -8.107 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.169 -14.847 -7.299 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -6.546 -13.532 -6.633 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -7.300 -15.339 -8.190 1.00 0.00 C ATOM 0 H LEU A 119 -3.872 -12.505 -7.530 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.189 -13.771 -9.924 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.711 -15.610 -8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.050 -14.580 -7.410 1.00 0.00 H new ATOM 0 HG LEU A 119 -5.998 -15.589 -6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.465 -13.664 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -5.744 -13.220 -5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.699 -12.768 -7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.209 -15.446 -7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.471 -14.620 -8.991 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.031 -16.304 -8.620 1.00 0.00 H new