USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 MET CE :methyl -174:sc= -2.2 (180deg=-2.1!) USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= -0.113 USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 175:sc=-0.00469 (180deg=-0.0301) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 155:sc= -0.288 (180deg=-1.17!) USER MOD Single : A 46 SER OG : rot 148:sc= -1.25 USER MOD Single : A 49 CYS SG : rot 68:sc= -0.698 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.372 USER MOD Single : A 53 TYR OH : rot 150:sc= -0.0726 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 170:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= -0.0339 (180deg=-0.0339) USER MOD Single : A 91 HIS : no HD1:sc= -8.29! C(o=-8.3!,f=-15!) USER MOD Single : A 93 ASN : amide:sc= -0.0477 K(o=-0.048,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 -110:sc= 0.929 USER MOD Single : A 101 THR OG1 : rot 110:sc= -0.313 USER MOD Single : A 103 THR OG1 : rot 45:sc= 0.0924 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl -105:sc= -0.169 (180deg=-1.97!) USER MOD Single : A 111 MET CE :methyl 142:sc= -1.23 (180deg=-3.98!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -121:sc= -0.831 (180deg=-3.19!) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.600 -3.876 4.078 1.00 0.00 N ATOM 266 CA PRO A 20 -12.688 -4.310 5.140 1.00 0.00 C ATOM 267 C PRO A 20 -11.226 -4.246 4.710 1.00 0.00 C ATOM 268 O PRO A 20 -10.845 -4.812 3.685 1.00 0.00 O ATOM 269 CB PRO A 20 -13.107 -5.760 5.397 1.00 0.00 C ATOM 270 CG PRO A 20 -14.547 -5.810 5.018 1.00 0.00 C ATOM 271 CD PRO A 20 -14.742 -4.792 3.916 1.00 0.00 C ATOM 0 HA PRO A 20 -12.754 -3.671 6.020 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.516 -6.455 4.800 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.963 -6.035 6.442 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.823 -6.808 4.676 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.181 -5.580 5.874 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.741 -5.262 2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.693 -4.268 4.019 1.00 0.00 H new ATOM 279 N VAL A 21 -10.411 -3.555 5.500 1.00 0.00 N ATOM 280 CA VAL A 21 -8.990 -3.419 5.202 1.00 0.00 C ATOM 281 C VAL A 21 -8.226 -4.683 5.579 1.00 0.00 C ATOM 282 O VAL A 21 -8.211 -5.089 6.741 1.00 0.00 O ATOM 283 CB VAL A 21 -8.373 -2.219 5.944 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.889 -2.104 5.634 1.00 0.00 C ATOM 285 CG2 VAL A 21 -9.103 -0.935 5.579 1.00 0.00 C ATOM 0 H VAL A 21 -10.710 -3.080 6.352 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.907 -3.254 4.128 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.484 -2.381 7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.471 -1.250 6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.380 -3.014 5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.751 -1.965 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.654 -0.097 6.112 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.026 -0.765 4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.153 -1.022 5.858 1.00 0.00 H new ATOM 295 N VAL A 22 -7.592 -5.302 4.588 1.00 0.00 N ATOM 296 CA VAL A 22 -6.824 -6.520 4.816 1.00 0.00 C ATOM 297 C VAL A 22 -5.615 -6.250 5.704 1.00 0.00 C ATOM 298 O VAL A 22 -5.478 -6.836 6.778 1.00 0.00 O ATOM 299 CB VAL A 22 -6.343 -7.137 3.488 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.502 -8.377 3.749 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.529 -7.466 2.594 1.00 0.00 C ATOM 0 H VAL A 22 -7.595 -4.980 3.620 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.489 -7.224 5.316 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.720 -6.406 2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.171 -8.799 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.633 -8.107 4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.098 -9.115 4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.171 -7.901 1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.180 -8.179 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.087 -6.554 2.379 1.00 0.00 H new ATOM 311 N ARG A 23 -4.741 -5.357 5.250 1.00 0.00 N ATOM 312 CA ARG A 23 -3.543 -5.009 6.004 1.00 0.00 C ATOM 313 C ARG A 23 -2.923 -3.720 5.474 1.00 0.00 C ATOM 314 O ARG A 23 -3.011 -3.420 4.283 1.00 0.00 O ATOM 315 CB ARG A 23 -2.521 -6.146 5.933 1.00 0.00 C ATOM 316 CG ARG A 23 -1.254 -5.876 6.727 1.00 0.00 C ATOM 317 CD ARG A 23 -1.469 -6.111 8.215 1.00 0.00 C ATOM 318 NE ARG A 23 -0.221 -6.020 8.969 1.00 0.00 N ATOM 319 CZ ARG A 23 -0.161 -6.048 10.295 1.00 0.00 C ATOM 320 NH1 ARG A 23 -1.271 -6.164 11.011 1.00 0.00 N ATOM 321 NH2 ARG A 23 1.012 -5.961 10.909 1.00 0.00 N ATOM 0 H ARG A 23 -4.840 -4.862 4.364 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.831 -4.853 7.044 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.983 -7.062 6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.256 -6.320 4.890 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.453 -6.522 6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.932 -4.848 6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.179 -5.378 8.599 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.913 -7.095 8.366 1.00 0.00 H new ATOM 0 HE ARG A 23 0.652 -5.930 8.448 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.175 -6.232 10.543 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.221 -6.185 12.030 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.869 -5.873 10.362 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.057 -5.983 11.928 1.00 0.00 H new ATOM 335 N ARG A 24 -2.296 -2.960 6.367 1.00 0.00 N ATOM 336 CA ARG A 24 -1.663 -1.702 5.990 1.00 0.00 C ATOM 337 C ARG A 24 -0.281 -1.577 6.624 1.00 0.00 C ATOM 338 O ARG A 24 -0.106 -1.845 7.812 1.00 0.00 O ATOM 339 CB ARG A 24 -2.538 -0.520 6.410 1.00 0.00 C ATOM 340 CG ARG A 24 -2.751 -0.423 7.912 1.00 0.00 C ATOM 341 CD ARG A 24 -3.768 0.651 8.263 1.00 0.00 C ATOM 342 NE ARG A 24 -5.138 0.211 8.009 1.00 0.00 N ATOM 343 CZ ARG A 24 -6.208 0.805 8.527 1.00 0.00 C ATOM 344 NH1 ARG A 24 -6.067 1.857 9.321 1.00 0.00 N ATOM 345 NH2 ARG A 24 -7.422 0.346 8.249 1.00 0.00 N ATOM 0 H ARG A 24 -2.213 -3.194 7.356 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.548 -1.693 4.906 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.080 0.404 6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.507 -0.604 5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.090 -1.385 8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.803 -0.201 8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.663 0.921 9.314 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.562 1.549 7.681 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.281 -0.596 7.401 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.135 2.213 9.536 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.890 2.311 9.717 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.534 -0.463 7.638 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.243 0.802 8.647 1.00 0.00 H new ATOM 359 N GLY A 25 0.698 -1.168 5.823 1.00 0.00 N ATOM 360 CA GLY A 25 2.051 -1.016 6.323 1.00 0.00 C ATOM 361 C GLY A 25 2.899 -0.121 5.441 1.00 0.00 C ATOM 362 O GLY A 25 2.617 0.037 4.253 1.00 0.00 O ATOM 0 H GLY A 25 0.578 -0.939 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.018 -0.602 7.331 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.520 -1.997 6.397 1.00 0.00 H new ATOM 366 N TRP A 26 3.937 0.468 6.022 1.00 0.00 N ATOM 367 CA TRP A 26 4.827 1.354 5.280 1.00 0.00 C ATOM 368 C TRP A 26 5.646 0.572 4.258 1.00 0.00 C ATOM 369 O TRP A 26 6.736 0.087 4.561 1.00 0.00 O ATOM 370 CB TRP A 26 5.760 2.094 6.240 1.00 0.00 C ATOM 371 CG TRP A 26 5.078 3.185 7.009 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.523 3.087 8.253 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.877 4.537 6.582 1.00 0.00 C ATOM 374 NE1 TRP A 26 3.989 4.297 8.625 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.194 5.203 7.618 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.209 5.250 5.427 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.837 6.546 7.531 1.00 0.00 C ATOM 378 CZ3 TRP A 26 4.855 6.583 5.342 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.175 7.220 6.389 1.00 0.00 C ATOM 0 H TRP A 26 4.184 0.349 7.004 1.00 0.00 H new ATOM 0 HA TRP A 26 4.214 2.081 4.747 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.189 1.379 6.941 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.588 2.521 5.674 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.506 2.191 8.855 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.516 4.490 9.508 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.733 4.768 4.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.312 7.038 8.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.107 7.143 4.454 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.913 8.263 6.293 1.00 0.00 H new ATOM 390 N LEU A 27 5.113 0.453 3.047 1.00 0.00 N ATOM 391 CA LEU A 27 5.795 -0.270 1.979 1.00 0.00 C ATOM 392 C LEU A 27 6.684 0.668 1.168 1.00 0.00 C ATOM 393 O LEU A 27 6.498 1.885 1.184 1.00 0.00 O ATOM 394 CB LEU A 27 4.775 -0.945 1.061 1.00 0.00 C ATOM 395 CG LEU A 27 5.329 -1.998 0.101 1.00 0.00 C ATOM 396 CD1 LEU A 27 6.098 -3.065 0.865 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.205 -2.626 -0.709 1.00 0.00 C ATOM 0 H LEU A 27 4.211 0.848 2.780 1.00 0.00 H new ATOM 0 HA LEU A 27 6.425 -1.034 2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.012 -1.414 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.278 -0.173 0.474 1.00 0.00 H new ATOM 0 HG LEU A 27 6.016 -1.507 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.485 -3.806 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.928 -2.603 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.433 -3.552 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.618 -3.373 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.493 -3.102 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.697 -1.854 -1.287 1.00 0.00 H new ATOM 409 N TYR A 28 7.648 0.093 0.458 1.00 0.00 N ATOM 410 CA TYR A 28 8.566 0.877 -0.360 1.00 0.00 C ATOM 411 C TYR A 28 8.318 0.631 -1.846 1.00 0.00 C ATOM 412 O TYR A 28 8.324 -0.510 -2.308 1.00 0.00 O ATOM 413 CB TYR A 28 10.015 0.534 -0.010 1.00 0.00 C ATOM 414 CG TYR A 28 10.267 0.418 1.476 1.00 0.00 C ATOM 415 CD1 TYR A 28 9.673 1.298 2.372 1.00 0.00 C ATOM 416 CD2 TYR A 28 11.100 -0.571 1.984 1.00 0.00 C ATOM 417 CE1 TYR A 28 9.901 1.196 3.731 1.00 0.00 C ATOM 418 CE2 TYR A 28 11.333 -0.681 3.341 1.00 0.00 C ATOM 419 CZ TYR A 28 10.732 0.205 4.210 1.00 0.00 C ATOM 420 OH TYR A 28 10.961 0.100 5.563 1.00 0.00 O ATOM 0 H TYR A 28 7.814 -0.913 0.432 1.00 0.00 H new ATOM 0 HA TYR A 28 8.389 1.932 -0.150 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.283 -0.407 -0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.671 1.301 -0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.022 2.075 2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 28 11.574 -1.266 1.306 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.431 1.888 4.414 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.982 -1.457 3.719 1.00 0.00 H new ATOM 0 HH TYR A 28 10.175 0.419 6.054 1.00 0.00 H new ATOM 430 N LYS A 29 8.100 1.710 -2.589 1.00 0.00 N ATOM 431 CA LYS A 29 7.852 1.615 -4.023 1.00 0.00 C ATOM 432 C LYS A 29 9.126 1.889 -4.815 1.00 0.00 C ATOM 433 O LYS A 29 9.870 2.819 -4.508 1.00 0.00 O ATOM 434 CB LYS A 29 6.759 2.602 -4.438 1.00 0.00 C ATOM 435 CG LYS A 29 6.569 2.702 -5.942 1.00 0.00 C ATOM 436 CD LYS A 29 5.539 1.702 -6.441 1.00 0.00 C ATOM 437 CE LYS A 29 4.133 2.283 -6.401 1.00 0.00 C ATOM 438 NZ LYS A 29 3.896 3.239 -7.518 1.00 0.00 N ATOM 0 H LYS A 29 8.090 2.662 -2.222 1.00 0.00 H new ATOM 0 HA LYS A 29 7.520 0.600 -4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.817 2.301 -3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.004 3.589 -4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.254 3.712 -6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.521 2.526 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.783 1.406 -7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.579 0.801 -5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.404 1.474 -6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.977 2.791 -5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.903 3.548 -7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.517 4.066 -7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.102 2.772 -8.424 1.00 0.00 H new ATOM 571 N TRP A 38 14.476 3.097 -3.967 1.00 0.00 N ATOM 572 CA TRP A 38 13.210 2.736 -3.340 1.00 0.00 C ATOM 573 C TRP A 38 12.670 3.887 -2.499 1.00 0.00 C ATOM 574 O TRP A 38 13.351 4.390 -1.605 1.00 0.00 O ATOM 575 CB TRP A 38 13.385 1.491 -2.468 1.00 0.00 C ATOM 576 CG TRP A 38 14.035 0.348 -3.189 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.369 0.186 -3.434 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.379 -0.790 -3.759 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.581 -0.984 -4.122 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.377 -1.601 -4.333 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.047 -1.203 -3.838 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.082 -2.800 -4.977 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.755 -2.392 -4.478 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.769 -3.180 -5.041 1.00 0.00 C ATOM 0 HA TRP A 38 12.492 2.520 -4.131 1.00 0.00 H new ATOM 0 HB2 TRP A 38 13.985 1.749 -1.595 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.409 1.172 -2.102 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.143 0.876 -3.131 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.489 -1.336 -4.426 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.259 -0.603 -3.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.862 -3.408 -5.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.728 -2.720 -4.546 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.509 -4.105 -5.535 1.00 0.00 H new ATOM 595 N LYS A 39 11.442 4.302 -2.791 1.00 0.00 N ATOM 596 CA LYS A 39 10.809 5.395 -2.061 1.00 0.00 C ATOM 597 C LYS A 39 9.920 4.859 -0.943 1.00 0.00 C ATOM 598 O LYS A 39 9.267 3.826 -1.096 1.00 0.00 O ATOM 599 CB LYS A 39 9.983 6.261 -3.014 1.00 0.00 C ATOM 600 CG LYS A 39 10.812 6.950 -4.084 1.00 0.00 C ATOM 601 CD LYS A 39 11.684 8.046 -3.494 1.00 0.00 C ATOM 602 CE LYS A 39 12.914 8.300 -4.351 1.00 0.00 C ATOM 603 NZ LYS A 39 13.842 9.276 -3.714 1.00 0.00 N ATOM 0 H LYS A 39 10.865 3.898 -3.528 1.00 0.00 H new ATOM 0 HA LYS A 39 11.595 6.005 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.229 5.639 -3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.451 7.017 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.440 6.216 -4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.152 7.376 -4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.105 8.965 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.992 7.765 -2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.438 7.360 -4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.606 8.676 -5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.668 9.422 -4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.350 10.182 -3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.157 8.906 -2.794 1.00 0.00 H new ATOM 617 N LYS A 40 9.898 5.568 0.181 1.00 0.00 N ATOM 618 CA LYS A 40 9.087 5.166 1.324 1.00 0.00 C ATOM 619 C LYS A 40 7.739 5.880 1.312 1.00 0.00 C ATOM 620 O LYS A 40 7.671 7.096 1.134 1.00 0.00 O ATOM 621 CB LYS A 40 9.824 5.469 2.630 1.00 0.00 C ATOM 622 CG LYS A 40 9.556 4.455 3.729 1.00 0.00 C ATOM 623 CD LYS A 40 8.209 4.692 4.390 1.00 0.00 C ATOM 624 CE LYS A 40 8.230 4.289 5.856 1.00 0.00 C ATOM 625 NZ LYS A 40 9.284 5.014 6.617 1.00 0.00 N ATOM 0 H LYS A 40 10.433 6.424 0.324 1.00 0.00 H new ATOM 0 HA LYS A 40 8.911 4.093 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.895 5.504 2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.532 6.459 2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.585 3.449 3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.345 4.512 4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.941 5.745 4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.440 4.124 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.256 4.492 6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.399 3.215 5.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.019 5.057 7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.190 4.513 6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.380 5.980 6.243 1.00 0.00 H new ATOM 639 N ARG A 41 6.668 5.115 1.504 1.00 0.00 N ATOM 640 CA ARG A 41 5.322 5.675 1.515 1.00 0.00 C ATOM 641 C ARG A 41 4.343 4.724 2.197 1.00 0.00 C ATOM 642 O ARG A 41 4.574 3.516 2.253 1.00 0.00 O ATOM 643 CB ARG A 41 4.856 5.967 0.088 1.00 0.00 C ATOM 644 CG ARG A 41 3.539 6.723 0.020 1.00 0.00 C ATOM 645 CD ARG A 41 3.734 8.208 0.281 1.00 0.00 C ATOM 646 NE ARG A 41 4.822 8.766 -0.517 1.00 0.00 N ATOM 647 CZ ARG A 41 5.339 9.973 -0.313 1.00 0.00 C ATOM 648 NH1 ARG A 41 4.869 10.743 0.658 1.00 0.00 N ATOM 649 NH2 ARG A 41 6.328 10.410 -1.082 1.00 0.00 N ATOM 0 H ARG A 41 6.707 4.107 1.654 1.00 0.00 H new ATOM 0 HA ARG A 41 5.348 6.607 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.624 6.546 -0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.753 5.025 -0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.087 6.581 -0.962 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.844 6.312 0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.810 8.740 0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.943 8.366 1.339 1.00 0.00 H new ATOM 0 HE ARG A 41 5.206 8.198 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.109 10.409 1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.268 11.669 0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.692 9.819 -1.830 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.725 11.337 -0.925 1.00 0.00 H new ATOM 663 N TRP A 42 3.252 5.276 2.713 1.00 0.00 N ATOM 664 CA TRP A 42 2.238 4.476 3.391 1.00 0.00 C ATOM 665 C TRP A 42 1.382 3.715 2.385 1.00 0.00 C ATOM 666 O TRP A 42 0.844 4.301 1.445 1.00 0.00 O ATOM 667 CB TRP A 42 1.352 5.369 4.261 1.00 0.00 C ATOM 668 CG TRP A 42 0.409 4.600 5.135 1.00 0.00 C ATOM 669 CD1 TRP A 42 -0.948 4.742 5.202 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.752 3.570 6.068 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.468 3.862 6.120 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.446 3.131 6.665 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.955 2.973 6.456 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.474 2.126 7.628 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.926 1.976 7.412 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.719 1.560 7.989 1.00 0.00 C ATOM 0 H TRP A 42 3.046 6.274 2.675 1.00 0.00 H new ATOM 0 HA TRP A 42 2.748 3.752 4.027 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.985 5.997 4.887 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.778 6.036 3.618 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.527 5.443 4.619 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.456 3.768 6.357 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.891 3.286 6.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.403 1.804 8.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.850 1.509 7.720 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.730 0.777 8.733 1.00 0.00 H new ATOM 687 N PHE A 43 1.259 2.408 2.588 1.00 0.00 N ATOM 688 CA PHE A 43 0.468 1.567 1.697 1.00 0.00 C ATOM 689 C PHE A 43 -0.636 0.847 2.466 1.00 0.00 C ATOM 690 O PHE A 43 -0.460 0.478 3.628 1.00 0.00 O ATOM 691 CB PHE A 43 1.365 0.546 0.995 1.00 0.00 C ATOM 692 CG PHE A 43 1.970 1.056 -0.282 1.00 0.00 C ATOM 693 CD1 PHE A 43 3.087 1.876 -0.256 1.00 0.00 C ATOM 694 CD2 PHE A 43 1.421 0.717 -1.508 1.00 0.00 C ATOM 695 CE1 PHE A 43 3.646 2.347 -1.429 1.00 0.00 C ATOM 696 CE2 PHE A 43 1.976 1.186 -2.684 1.00 0.00 C ATOM 697 CZ PHE A 43 3.089 2.002 -2.644 1.00 0.00 C ATOM 0 H PHE A 43 1.697 1.908 3.362 1.00 0.00 H new ATOM 0 HA PHE A 43 0.005 2.209 0.948 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.165 0.250 1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.782 -0.350 0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.526 2.150 0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.550 0.079 -1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.517 2.984 -1.395 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.539 0.914 -3.634 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.523 2.370 -3.562 1.00 0.00 H new ATOM 707 N VAL A 44 -1.775 0.650 1.810 1.00 0.00 N ATOM 708 CA VAL A 44 -2.908 -0.026 2.431 1.00 0.00 C ATOM 709 C VAL A 44 -3.540 -1.031 1.474 1.00 0.00 C ATOM 710 O VAL A 44 -3.771 -0.728 0.303 1.00 0.00 O ATOM 711 CB VAL A 44 -3.982 0.980 2.884 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.273 0.259 3.242 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.478 1.803 4.061 1.00 0.00 C ATOM 0 H VAL A 44 -1.938 0.949 0.848 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.523 -0.553 3.304 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.190 1.659 2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.020 0.986 3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.641 -0.282 2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.084 -0.445 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.250 2.509 4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.240 1.140 4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.583 2.350 3.766 1.00 0.00 H new ATOM 723 N LEU A 45 -3.817 -2.227 1.980 1.00 0.00 N ATOM 724 CA LEU A 45 -4.424 -3.278 1.171 1.00 0.00 C ATOM 725 C LEU A 45 -5.919 -3.386 1.450 1.00 0.00 C ATOM 726 O LEU A 45 -6.334 -3.999 2.434 1.00 0.00 O ATOM 727 CB LEU A 45 -3.743 -4.620 1.449 1.00 0.00 C ATOM 728 CG LEU A 45 -3.721 -5.615 0.287 1.00 0.00 C ATOM 729 CD1 LEU A 45 -5.110 -6.184 0.046 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.189 -4.950 -0.974 1.00 0.00 C ATOM 0 H LEU A 45 -3.631 -2.494 2.947 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.288 -3.019 0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.715 -4.427 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.244 -5.091 2.295 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.055 -6.437 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.075 -6.890 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.454 -6.697 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.798 -5.374 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.180 -5.672 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.830 -4.109 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.175 -4.591 -0.796 1.00 0.00 H new ATOM 742 N SER A 46 -6.724 -2.789 0.577 1.00 0.00 N ATOM 743 CA SER A 46 -8.174 -2.816 0.731 1.00 0.00 C ATOM 744 C SER A 46 -8.861 -2.967 -0.623 1.00 0.00 C ATOM 745 O SER A 46 -8.299 -2.611 -1.660 1.00 0.00 O ATOM 746 CB SER A 46 -8.659 -1.541 1.423 1.00 0.00 C ATOM 747 OG SER A 46 -7.927 -1.296 2.611 1.00 0.00 O ATOM 0 H SER A 46 -6.397 -2.281 -0.244 1.00 0.00 H new ATOM 0 HA SER A 46 -8.433 -3.676 1.348 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.554 -0.693 0.746 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.720 -1.632 1.658 1.00 0.00 H new ATOM 0 HG SER A 46 -7.853 -0.330 2.756 1.00 0.00 H new ATOM 753 N ASP A 47 -10.079 -3.496 -0.606 1.00 0.00 N ATOM 754 CA ASP A 47 -10.845 -3.693 -1.831 1.00 0.00 C ATOM 755 C ASP A 47 -10.020 -4.443 -2.873 1.00 0.00 C ATOM 756 O ASP A 47 -10.204 -4.258 -4.077 1.00 0.00 O ATOM 757 CB ASP A 47 -11.299 -2.346 -2.396 1.00 0.00 C ATOM 758 CG ASP A 47 -11.854 -1.427 -1.325 1.00 0.00 C ATOM 759 OD1 ASP A 47 -11.232 -1.331 -0.247 1.00 0.00 O ATOM 760 OD2 ASP A 47 -12.910 -0.805 -1.566 1.00 0.00 O ATOM 0 H ASP A 47 -10.558 -3.796 0.243 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.723 -4.292 -1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.457 -1.859 -2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.060 -2.513 -3.158 1.00 0.00 H new ATOM 765 N LEU A 48 -9.109 -5.288 -2.402 1.00 0.00 N ATOM 766 CA LEU A 48 -8.254 -6.065 -3.293 1.00 0.00 C ATOM 767 C LEU A 48 -7.489 -5.153 -4.246 1.00 0.00 C ATOM 768 O LEU A 48 -7.222 -5.519 -5.391 1.00 0.00 O ATOM 769 CB LEU A 48 -9.092 -7.067 -4.090 1.00 0.00 C ATOM 770 CG LEU A 48 -9.780 -8.163 -3.276 1.00 0.00 C ATOM 771 CD1 LEU A 48 -8.754 -8.987 -2.514 1.00 0.00 C ATOM 772 CD2 LEU A 48 -10.798 -7.559 -2.319 1.00 0.00 C ATOM 0 H LEU A 48 -8.944 -5.452 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.533 -6.608 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.856 -6.516 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.448 -7.542 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.306 -8.823 -3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.263 -9.762 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.064 -9.451 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.199 -8.339 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.277 -8.354 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.294 -6.875 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.552 -7.014 -2.887 1.00 0.00 H new ATOM 784 N CYS A 49 -7.136 -3.966 -3.765 1.00 0.00 N ATOM 785 CA CYS A 49 -6.399 -3.002 -4.574 1.00 0.00 C ATOM 786 C CYS A 49 -5.268 -2.369 -3.770 1.00 0.00 C ATOM 787 O CYS A 49 -5.063 -2.698 -2.601 1.00 0.00 O ATOM 788 CB CYS A 49 -7.341 -1.916 -5.095 1.00 0.00 C ATOM 789 SG CYS A 49 -8.573 -2.512 -6.276 1.00 0.00 S ATOM 0 H CYS A 49 -7.348 -3.648 -2.819 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.965 -3.533 -5.421 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -7.855 -1.460 -4.249 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.749 -1.133 -5.568 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.420 -3.286 -5.666 1.00 0.00 H new ATOM 795 N LEU A 50 -4.535 -1.460 -4.404 1.00 0.00 N ATOM 796 CA LEU A 50 -3.423 -0.781 -3.748 1.00 0.00 C ATOM 797 C LEU A 50 -3.714 0.708 -3.585 1.00 0.00 C ATOM 798 O LEU A 50 -4.069 1.391 -4.545 1.00 0.00 O ATOM 799 CB LEU A 50 -2.136 -0.975 -4.551 1.00 0.00 C ATOM 800 CG LEU A 50 -1.295 -2.199 -4.185 1.00 0.00 C ATOM 801 CD1 LEU A 50 0.035 -2.172 -4.921 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.073 -2.263 -2.681 1.00 0.00 C ATOM 0 H LEU A 50 -4.691 -1.176 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.296 -1.219 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.397 -1.041 -5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.518 -0.085 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.838 -3.094 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.620 -3.050 -4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.144 -2.175 -5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.584 -1.271 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.473 -3.140 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.552 -1.364 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.035 -2.331 -2.174 1.00 0.00 H new ATOM 814 N PHE A 51 -3.559 1.205 -2.362 1.00 0.00 N ATOM 815 CA PHE A 51 -3.804 2.613 -2.073 1.00 0.00 C ATOM 816 C PHE A 51 -2.715 3.179 -1.167 1.00 0.00 C ATOM 817 O PHE A 51 -2.265 2.519 -0.230 1.00 0.00 O ATOM 818 CB PHE A 51 -5.174 2.789 -1.414 1.00 0.00 C ATOM 819 CG PHE A 51 -6.317 2.335 -2.276 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.802 3.145 -3.289 1.00 0.00 C ATOM 821 CD2 PHE A 51 -6.906 1.097 -2.072 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.854 2.729 -4.085 1.00 0.00 C ATOM 823 CE2 PHE A 51 -7.957 0.676 -2.864 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.432 1.494 -3.871 1.00 0.00 C ATOM 0 H PHE A 51 -3.265 0.654 -1.556 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.789 3.160 -3.016 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.192 2.232 -0.478 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.315 3.840 -1.162 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.354 4.113 -3.460 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.539 0.454 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.223 3.369 -4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.407 -0.291 -2.696 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.255 1.167 -4.490 1.00 0.00 H new ATOM 834 N TYR A 52 -2.294 4.406 -1.454 1.00 0.00 N ATOM 835 CA TYR A 52 -1.255 5.062 -0.668 1.00 0.00 C ATOM 836 C TYR A 52 -1.638 6.505 -0.354 1.00 0.00 C ATOM 837 O TYR A 52 -2.476 7.099 -1.034 1.00 0.00 O ATOM 838 CB TYR A 52 0.078 5.027 -1.416 1.00 0.00 C ATOM 839 CG TYR A 52 -0.048 5.332 -2.892 1.00 0.00 C ATOM 840 CD1 TYR A 52 -0.421 6.597 -3.330 1.00 0.00 C ATOM 841 CD2 TYR A 52 0.204 4.356 -3.848 1.00 0.00 C ATOM 842 CE1 TYR A 52 -0.538 6.881 -4.677 1.00 0.00 C ATOM 843 CE2 TYR A 52 0.091 4.631 -5.197 1.00 0.00 C ATOM 844 CZ TYR A 52 -0.280 5.894 -5.607 1.00 0.00 C ATOM 845 OH TYR A 52 -0.396 6.172 -6.949 1.00 0.00 O ATOM 0 H TYR A 52 -2.656 4.967 -2.225 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.150 4.521 0.272 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.759 5.747 -0.962 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.528 4.042 -1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.623 7.371 -2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.493 3.365 -3.531 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.830 7.869 -5.000 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.292 3.861 -5.927 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.179 5.370 -7.469 1.00 0.00 H new ATOM 855 N TYR A 53 -1.018 7.063 0.679 1.00 0.00 N ATOM 856 CA TYR A 53 -1.294 8.436 1.086 1.00 0.00 C ATOM 857 C TYR A 53 -0.003 9.171 1.431 1.00 0.00 C ATOM 858 O TYR A 53 1.062 8.563 1.537 1.00 0.00 O ATOM 859 CB TYR A 53 -2.241 8.454 2.287 1.00 0.00 C ATOM 860 CG TYR A 53 -3.455 7.570 2.114 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.365 6.192 2.270 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.694 8.113 1.795 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.472 5.381 2.112 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.807 7.310 1.636 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.690 5.944 1.796 1.00 0.00 C ATOM 866 OH TYR A 53 -6.796 5.140 1.639 1.00 0.00 O ATOM 0 H TYR A 53 -0.321 6.586 1.250 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.770 8.947 0.249 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.694 8.136 3.175 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.570 9.478 2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.413 5.747 2.519 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.788 9.181 1.669 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.384 4.312 2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.762 7.748 1.388 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.601 5.638 1.893 1.00 0.00 H new ATOM 876 N ARG A 54 -0.107 10.485 1.605 1.00 0.00 N ATOM 877 CA ARG A 54 1.052 11.305 1.937 1.00 0.00 C ATOM 878 C ARG A 54 1.719 10.811 3.217 1.00 0.00 C ATOM 879 O ARG A 54 2.944 10.838 3.342 1.00 0.00 O ATOM 880 CB ARG A 54 0.637 12.769 2.098 1.00 0.00 C ATOM 881 CG ARG A 54 0.292 13.452 0.785 1.00 0.00 C ATOM 882 CD ARG A 54 1.509 13.565 -0.121 1.00 0.00 C ATOM 883 NE ARG A 54 1.346 14.609 -1.129 1.00 0.00 N ATOM 884 CZ ARG A 54 2.270 14.906 -2.035 1.00 0.00 C ATOM 885 NH1 ARG A 54 3.417 14.242 -2.060 1.00 0.00 N ATOM 886 NH2 ARG A 54 2.048 15.870 -2.920 1.00 0.00 N ATOM 0 H ARG A 54 -0.981 11.004 1.522 1.00 0.00 H new ATOM 0 HA ARG A 54 1.769 11.225 1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.225 12.822 2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.447 13.316 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.491 12.890 0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.108 14.446 0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.391 13.778 0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.684 12.609 -0.614 1.00 0.00 H new ATOM 0 HE ARG A 54 0.475 15.139 -1.138 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.592 13.500 -1.382 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.125 14.473 -2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.167 16.384 -2.905 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.759 16.097 -3.616 1.00 0.00 H new ATOM 900 N ASP A 55 0.906 10.360 4.166 1.00 0.00 N ATOM 901 CA ASP A 55 1.417 9.859 5.436 1.00 0.00 C ATOM 902 C ASP A 55 0.408 8.924 6.097 1.00 0.00 C ATOM 903 O ASP A 55 -0.685 8.706 5.575 1.00 0.00 O ATOM 904 CB ASP A 55 1.743 11.022 6.374 1.00 0.00 C ATOM 905 CG ASP A 55 2.538 12.114 5.687 1.00 0.00 C ATOM 906 OD1 ASP A 55 1.938 12.885 4.909 1.00 0.00 O ATOM 907 OD2 ASP A 55 3.761 12.198 5.926 1.00 0.00 O ATOM 0 H ASP A 55 -0.110 10.331 4.079 1.00 0.00 H new ATOM 0 HA ASP A 55 2.329 9.297 5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.816 11.442 6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.307 10.649 7.229 1.00 0.00 H new ATOM 912 N GLU A 56 0.784 8.374 7.247 1.00 0.00 N ATOM 913 CA GLU A 56 -0.088 7.461 7.977 1.00 0.00 C ATOM 914 C GLU A 56 -1.440 8.109 8.261 1.00 0.00 C ATOM 915 O GLU A 56 -2.404 7.432 8.619 1.00 0.00 O ATOM 916 CB GLU A 56 0.570 7.033 9.291 1.00 0.00 C ATOM 917 CG GLU A 56 0.809 8.183 10.255 1.00 0.00 C ATOM 918 CD GLU A 56 0.947 7.720 11.692 1.00 0.00 C ATOM 919 OE1 GLU A 56 -0.085 7.385 12.310 1.00 0.00 O ATOM 920 OE2 GLU A 56 2.088 7.692 12.199 1.00 0.00 O ATOM 0 H GLU A 56 1.685 8.544 7.693 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.250 6.580 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.060 6.288 9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.522 6.551 9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.713 8.717 9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.017 8.890 10.183 1.00 0.00 H new ATOM 927 N LYS A 57 -1.503 9.426 8.098 1.00 0.00 N ATOM 928 CA LYS A 57 -2.735 10.169 8.335 1.00 0.00 C ATOM 929 C LYS A 57 -3.848 9.686 7.410 1.00 0.00 C ATOM 930 O LYS A 57 -5.030 9.871 7.697 1.00 0.00 O ATOM 931 CB LYS A 57 -2.500 11.667 8.129 1.00 0.00 C ATOM 932 CG LYS A 57 -1.603 12.292 9.183 1.00 0.00 C ATOM 933 CD LYS A 57 -1.878 13.778 9.339 1.00 0.00 C ATOM 934 CE LYS A 57 -0.889 14.431 10.293 1.00 0.00 C ATOM 935 NZ LYS A 57 -1.281 15.828 10.627 1.00 0.00 N ATOM 0 H LYS A 57 -0.714 10.001 7.802 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.042 9.995 9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.056 11.825 7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.461 12.181 8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.758 11.790 10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.559 12.141 8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.821 14.264 8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.893 13.924 9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.825 13.843 11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.104 14.430 9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.582 16.238 11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.317 16.396 9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.218 15.827 11.079 1.00 0.00 H new ATOM 949 N GLU A 58 -3.460 9.065 6.300 1.00 0.00 N ATOM 950 CA GLU A 58 -4.426 8.556 5.333 1.00 0.00 C ATOM 951 C GLU A 58 -5.445 9.631 4.964 1.00 0.00 C ATOM 952 O GLU A 58 -6.652 9.402 5.022 1.00 0.00 O ATOM 953 CB GLU A 58 -5.146 7.328 5.896 1.00 0.00 C ATOM 954 CG GLU A 58 -4.218 6.162 6.192 1.00 0.00 C ATOM 955 CD GLU A 58 -4.876 5.095 7.045 1.00 0.00 C ATOM 956 OE1 GLU A 58 -5.540 4.205 6.473 1.00 0.00 O ATOM 957 OE2 GLU A 58 -4.728 5.150 8.284 1.00 0.00 O ATOM 0 H GLU A 58 -2.485 8.902 6.048 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.883 8.269 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.665 7.610 6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.906 7.005 5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.887 5.718 5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.328 6.531 6.701 1.00 0.00 H new ATOM 964 N GLU A 59 -4.947 10.804 4.584 1.00 0.00 N ATOM 965 CA GLU A 59 -5.814 11.914 4.207 1.00 0.00 C ATOM 966 C GLU A 59 -5.695 12.214 2.715 1.00 0.00 C ATOM 967 O GLU A 59 -4.611 12.510 2.215 1.00 0.00 O ATOM 968 CB GLU A 59 -5.463 13.162 5.019 1.00 0.00 C ATOM 969 CG GLU A 59 -5.903 13.087 6.471 1.00 0.00 C ATOM 970 CD GLU A 59 -5.283 14.176 7.326 1.00 0.00 C ATOM 971 OE1 GLU A 59 -4.085 14.472 7.134 1.00 0.00 O ATOM 972 OE2 GLU A 59 -5.997 14.732 8.186 1.00 0.00 O ATOM 0 H GLU A 59 -3.949 11.010 4.529 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.844 11.627 4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.385 13.318 4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.926 14.031 4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.989 13.164 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.633 12.113 6.879 1.00 0.00 H new ATOM 979 N GLY A 60 -6.819 12.134 2.010 1.00 0.00 N ATOM 980 CA GLY A 60 -6.820 12.399 0.583 1.00 0.00 C ATOM 981 C GLY A 60 -5.931 11.441 -0.185 1.00 0.00 C ATOM 982 O GLY A 60 -4.713 11.438 -0.008 1.00 0.00 O ATOM 0 H GLY A 60 -7.729 11.890 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.839 12.327 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.486 13.421 0.406 1.00 0.00 H new ATOM 986 N ILE A 61 -6.541 10.625 -1.038 1.00 0.00 N ATOM 987 CA ILE A 61 -5.796 9.659 -1.835 1.00 0.00 C ATOM 988 C ILE A 61 -4.911 10.358 -2.861 1.00 0.00 C ATOM 989 O ILE A 61 -5.214 11.464 -3.308 1.00 0.00 O ATOM 990 CB ILE A 61 -6.740 8.685 -2.566 1.00 0.00 C ATOM 991 CG1 ILE A 61 -7.664 7.989 -1.566 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.937 7.662 -3.355 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.110 6.684 -1.038 1.00 0.00 C ATOM 0 H ILE A 61 -7.549 10.614 -1.195 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.170 9.095 -1.143 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.354 9.253 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.851 8.661 -0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.626 7.800 -2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.618 6.981 -3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.317 8.175 -4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.300 7.096 -2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.818 6.246 -0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.949 5.995 -1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.163 6.869 -0.532 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.815 9.704 -3.232 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.885 10.262 -4.207 1.00 0.00 C ATOM 1007 C LEU A 62 -2.843 9.407 -5.470 1.00 0.00 C ATOM 1008 O LEU A 62 -2.382 9.854 -6.519 1.00 0.00 O ATOM 1009 CB LEU A 62 -1.484 10.367 -3.603 1.00 0.00 C ATOM 1010 CG LEU A 62 -1.418 10.738 -2.121 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.027 10.908 -1.677 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -2.213 12.007 -1.853 1.00 0.00 C ATOM 0 H LEU A 62 -3.549 8.787 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.234 11.259 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.978 9.411 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.921 11.110 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.861 9.927 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.054 11.172 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.567 9.974 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.496 11.700 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.155 12.256 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.800 12.826 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.255 11.849 -2.132 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.331 8.175 -5.361 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.342 7.278 -6.502 1.00 0.00 C ATOM 1026 C GLY A 63 -3.502 5.826 -6.096 1.00 0.00 C ATOM 1027 O GLY A 63 -2.853 5.361 -5.159 1.00 0.00 O ATOM 0 H GLY A 63 -3.719 7.782 -4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.156 7.557 -7.172 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.414 7.396 -7.062 1.00 0.00 H new ATOM 1031 N SER A 64 -4.369 5.108 -6.803 1.00 0.00 N ATOM 1032 CA SER A 64 -4.616 3.701 -6.507 1.00 0.00 C ATOM 1033 C SER A 64 -4.073 2.809 -7.620 1.00 0.00 C ATOM 1034 O SER A 64 -4.074 3.189 -8.791 1.00 0.00 O ATOM 1035 CB SER A 64 -6.114 3.452 -6.324 1.00 0.00 C ATOM 1036 OG SER A 64 -6.816 3.644 -7.540 1.00 0.00 O ATOM 0 H SER A 64 -4.912 5.477 -7.584 1.00 0.00 H new ATOM 0 HA SER A 64 -4.098 3.453 -5.580 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.275 2.436 -5.964 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.507 4.126 -5.563 1.00 0.00 H new ATOM 0 HG SER A 64 -7.737 3.326 -7.440 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.610 1.622 -7.244 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.065 0.675 -8.209 1.00 0.00 C ATOM 1044 C ILE A 65 -3.861 -0.626 -8.212 1.00 0.00 C ATOM 1045 O ILE A 65 -4.006 -1.280 -7.179 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.587 0.359 -7.915 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.693 1.507 -8.389 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.181 -0.946 -8.584 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.712 1.449 -7.831 1.00 0.00 C ATOM 0 H ILE A 65 -3.601 1.293 -6.279 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.139 1.146 -9.189 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.462 0.247 -6.838 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.644 1.493 -9.478 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.150 2.454 -8.103 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.134 -1.156 -8.367 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.800 -1.758 -8.203 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.318 -0.860 -9.662 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.289 2.293 -8.209 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.673 1.494 -6.743 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.188 0.518 -8.139 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.372 -0.998 -9.380 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.152 -2.223 -9.519 1.00 0.00 C ATOM 1063 C LEU A 66 -4.247 -3.450 -9.495 1.00 0.00 C ATOM 1064 O LEU A 66 -3.488 -3.694 -10.434 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.957 -2.194 -10.820 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.332 -1.529 -10.744 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.185 -2.188 -9.671 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.189 -0.039 -10.475 1.00 0.00 C ATOM 0 H LEU A 66 -4.260 -0.469 -10.245 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.839 -2.285 -8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.367 -1.678 -11.577 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.090 -3.220 -11.164 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.831 -1.658 -11.705 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.160 -1.702 -9.631 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.316 -3.244 -9.908 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.692 -2.091 -8.704 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.177 0.418 -10.424 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.670 0.112 -9.528 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.617 0.423 -11.280 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.334 -4.221 -8.417 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.524 -5.426 -8.270 1.00 0.00 C ATOM 1082 C LEU A 67 -4.024 -6.533 -9.192 1.00 0.00 C ATOM 1083 O LEU A 67 -3.245 -7.249 -9.823 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.546 -5.906 -6.818 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.545 -5.239 -5.875 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.856 -5.593 -4.429 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.123 -5.647 -6.232 1.00 0.00 C ATOM 0 H LEU A 67 -4.957 -4.034 -7.632 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.499 -5.181 -8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.549 -5.750 -6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.363 -6.980 -6.809 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.631 -4.158 -5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.133 -5.109 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.860 -5.250 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.798 -6.674 -4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.424 -5.163 -5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.023 -6.729 -6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.903 -5.342 -7.255 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.355 -6.678 -9.276 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.989 -7.695 -10.120 1.00 0.00 C ATOM 1101 C PRO A 68 -5.413 -7.718 -11.532 1.00 0.00 C ATOM 1102 O PRO A 68 -5.484 -8.732 -12.226 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.458 -7.266 -10.149 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.655 -6.503 -8.885 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.343 -5.861 -8.552 1.00 0.00 C ATOM 0 HA PRO A 68 -5.832 -8.702 -9.733 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.673 -6.649 -11.021 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.122 -8.129 -10.198 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.433 -5.750 -9.007 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.975 -7.165 -8.081 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.314 -4.820 -8.875 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.156 -5.867 -7.478 1.00 0.00 H new ATOM 1113 N SER A 69 -4.841 -6.593 -11.951 1.00 0.00 N ATOM 1114 CA SER A 69 -4.256 -6.483 -13.282 1.00 0.00 C ATOM 1115 C SER A 69 -2.760 -6.780 -13.243 1.00 0.00 C ATOM 1116 O SER A 69 -2.157 -7.128 -14.259 1.00 0.00 O ATOM 1117 CB SER A 69 -4.495 -5.084 -13.853 1.00 0.00 C ATOM 1118 OG SER A 69 -5.871 -4.867 -14.111 1.00 0.00 O ATOM 0 H SER A 69 -4.770 -5.745 -11.388 1.00 0.00 H new ATOM 0 HA SER A 69 -4.738 -7.218 -13.927 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.131 -4.334 -13.151 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.925 -4.962 -14.774 1.00 0.00 H new ATOM 0 HG SER A 69 -5.998 -3.965 -14.474 1.00 0.00 H new ATOM 1124 N PHE A 70 -2.165 -6.641 -12.063 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.740 -6.893 -11.890 1.00 0.00 C ATOM 1126 C PHE A 70 -0.475 -8.376 -11.646 1.00 0.00 C ATOM 1127 O PHE A 70 -1.372 -9.119 -11.249 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.192 -6.067 -10.724 1.00 0.00 C ATOM 1129 CG PHE A 70 0.314 -4.713 -11.134 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.465 -4.591 -11.897 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.361 -3.564 -10.757 1.00 0.00 C ATOM 1132 CE1 PHE A 70 1.933 -3.346 -12.274 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.102 -2.316 -11.132 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.250 -2.208 -11.893 1.00 0.00 C ATOM 0 H PHE A 70 -2.649 -6.355 -11.212 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.231 -6.597 -12.807 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.976 -5.942 -9.977 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.617 -6.619 -10.247 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.002 -5.478 -12.200 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.260 -3.644 -10.163 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.832 -3.263 -12.866 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.433 -1.427 -10.831 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.613 -1.235 -12.189 1.00 0.00 H new ATOM 1144 N GLN A 71 0.762 -8.797 -11.888 1.00 0.00 N ATOM 1145 CA GLN A 71 1.145 -10.191 -11.696 1.00 0.00 C ATOM 1146 C GLN A 71 2.321 -10.305 -10.732 1.00 0.00 C ATOM 1147 O GLN A 71 3.456 -9.979 -11.082 1.00 0.00 O ATOM 1148 CB GLN A 71 1.504 -10.833 -13.037 1.00 0.00 C ATOM 1149 CG GLN A 71 2.489 -11.984 -12.916 1.00 0.00 C ATOM 1150 CD GLN A 71 2.488 -12.884 -14.136 1.00 0.00 C ATOM 1151 OE1 GLN A 71 3.462 -12.931 -14.888 1.00 0.00 O ATOM 1152 NE2 GLN A 71 1.391 -13.604 -14.340 1.00 0.00 N ATOM 0 H GLN A 71 1.516 -8.194 -12.217 1.00 0.00 H new ATOM 0 HA GLN A 71 0.294 -10.719 -11.265 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.592 -11.194 -13.513 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.926 -10.072 -13.693 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.492 -11.585 -12.765 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.245 -12.575 -12.033 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.607 -13.534 -13.691 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.332 -14.227 -15.146 1.00 0.00 H new ATOM 1161 N ILE A 72 2.043 -10.769 -9.519 1.00 0.00 N ATOM 1162 CA ILE A 72 3.079 -10.926 -8.506 1.00 0.00 C ATOM 1163 C ILE A 72 3.874 -12.209 -8.726 1.00 0.00 C ATOM 1164 O ILE A 72 3.321 -13.308 -8.684 1.00 0.00 O ATOM 1165 CB ILE A 72 2.481 -10.943 -7.086 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.282 -9.996 -7.003 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.538 -10.560 -6.061 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.593 -8.587 -7.458 1.00 0.00 C ATOM 0 H ILE A 72 1.109 -11.043 -9.214 1.00 0.00 H new ATOM 0 HA ILE A 72 3.745 -10.068 -8.601 1.00 0.00 H new ATOM 0 HB ILE A 72 2.138 -11.954 -6.864 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.471 -10.395 -7.612 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.923 -9.966 -5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.100 -10.577 -5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.364 -11.270 -6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.909 -9.558 -6.278 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.698 -7.971 -7.372 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.382 -8.169 -6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.923 -8.605 -8.497 1.00 0.00 H new ATOM 1180 N ALA A 73 5.174 -12.061 -8.959 1.00 0.00 N ATOM 1181 CA ALA A 73 6.045 -13.208 -9.182 1.00 0.00 C ATOM 1182 C ALA A 73 7.432 -12.966 -8.595 1.00 0.00 C ATOM 1183 O ALA A 73 7.993 -11.878 -8.730 1.00 0.00 O ATOM 1184 CB ALA A 73 6.145 -13.513 -10.669 1.00 0.00 C ATOM 0 H ALA A 73 5.647 -11.158 -8.998 1.00 0.00 H new ATOM 0 HA ALA A 73 5.609 -14.069 -8.674 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.799 -14.372 -10.821 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.153 -13.738 -11.062 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.555 -12.648 -11.191 1.00 0.00 H new ATOM 1190 N LEU A 74 7.979 -13.986 -7.943 1.00 0.00 N ATOM 1191 CA LEU A 74 9.301 -13.884 -7.334 1.00 0.00 C ATOM 1192 C LEU A 74 10.297 -13.250 -8.299 1.00 0.00 C ATOM 1193 O LEU A 74 10.271 -13.518 -9.501 1.00 0.00 O ATOM 1194 CB LEU A 74 9.796 -15.267 -6.908 1.00 0.00 C ATOM 1195 CG LEU A 74 9.433 -15.702 -5.488 1.00 0.00 C ATOM 1196 CD1 LEU A 74 9.973 -14.708 -4.471 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.925 -15.849 -5.344 1.00 0.00 C ATOM 0 H LEU A 74 7.528 -14.893 -7.822 1.00 0.00 H new ATOM 0 HA LEU A 74 9.220 -13.247 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.398 -16.004 -7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.881 -15.289 -7.007 1.00 0.00 H new ATOM 0 HG LEU A 74 9.892 -16.672 -5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.705 -15.034 -3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.058 -14.653 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.543 -13.724 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.685 -16.159 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.445 -14.894 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.564 -16.600 -6.047 1.00 0.00 H new ATOM 1209 N LEU A 75 11.176 -12.408 -7.765 1.00 0.00 N ATOM 1210 CA LEU A 75 12.184 -11.737 -8.579 1.00 0.00 C ATOM 1211 C LEU A 75 13.011 -12.748 -9.366 1.00 0.00 C ATOM 1212 O LEU A 75 12.945 -13.952 -9.114 1.00 0.00 O ATOM 1213 CB LEU A 75 13.100 -10.890 -7.694 1.00 0.00 C ATOM 1214 CG LEU A 75 12.501 -9.588 -7.160 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.590 -8.698 -6.581 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.743 -8.859 -8.259 1.00 0.00 C ATOM 0 H LEU A 75 11.211 -12.174 -6.773 1.00 0.00 H new ATOM 0 HA LEU A 75 11.670 -11.087 -9.287 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.414 -11.497 -6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.998 -10.647 -8.262 1.00 0.00 H new ATOM 0 HG LEU A 75 11.799 -9.834 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.145 -7.776 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.089 -9.219 -5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.317 -8.460 -7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.324 -7.935 -7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.424 -8.625 -9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.937 -9.494 -8.628 1.00 0.00 H new ATOM 1377 N TYR A 85 13.959 -10.102 0.058 1.00 0.00 N ATOM 1378 CA TYR A 85 12.557 -10.004 0.446 1.00 0.00 C ATOM 1379 C TYR A 85 11.812 -9.016 -0.446 1.00 0.00 C ATOM 1380 O TYR A 85 11.000 -8.222 0.029 1.00 0.00 O ATOM 1381 CB TYR A 85 12.441 -9.574 1.910 1.00 0.00 C ATOM 1382 CG TYR A 85 13.413 -10.280 2.827 1.00 0.00 C ATOM 1383 CD1 TYR A 85 13.190 -11.591 3.231 1.00 0.00 C ATOM 1384 CD2 TYR A 85 14.554 -9.637 3.290 1.00 0.00 C ATOM 1385 CE1 TYR A 85 14.075 -12.240 4.070 1.00 0.00 C ATOM 1386 CE2 TYR A 85 15.445 -10.279 4.128 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.201 -11.580 4.516 1.00 0.00 C ATOM 1388 OH TYR A 85 16.086 -12.224 5.350 1.00 0.00 O ATOM 0 HA TYR A 85 12.103 -10.988 0.325 1.00 0.00 H new ATOM 0 HB2 TYR A 85 12.606 -8.499 1.978 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.425 -9.763 2.256 1.00 0.00 H new ATOM 0 HD1 TYR A 85 12.310 -12.111 2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 85 14.748 -8.618 2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 85 13.886 -13.259 4.375 1.00 0.00 H new ATOM 0 HE2 TYR A 85 16.328 -9.765 4.478 1.00 0.00 H new ATOM 0 HH TYR A 85 16.826 -11.620 5.571 1.00 0.00 H new ATOM 1398 N ALA A 86 12.094 -9.072 -1.744 1.00 0.00 N ATOM 1399 CA ALA A 86 11.450 -8.185 -2.705 1.00 0.00 C ATOM 1400 C ALA A 86 10.812 -8.977 -3.841 1.00 0.00 C ATOM 1401 O ALA A 86 11.239 -10.089 -4.152 1.00 0.00 O ATOM 1402 CB ALA A 86 12.455 -7.184 -3.256 1.00 0.00 C ATOM 0 H ALA A 86 12.764 -9.722 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 86 10.660 -7.642 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.960 -6.528 -3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.861 -6.588 -2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.265 -7.718 -3.753 1.00 0.00 H new ATOM 1408 N PHE A 87 9.786 -8.398 -4.456 1.00 0.00 N ATOM 1409 CA PHE A 87 9.088 -9.051 -5.557 1.00 0.00 C ATOM 1410 C PHE A 87 8.886 -8.086 -6.722 1.00 0.00 C ATOM 1411 O PHE A 87 9.339 -6.942 -6.681 1.00 0.00 O ATOM 1412 CB PHE A 87 7.735 -9.587 -5.085 1.00 0.00 C ATOM 1413 CG PHE A 87 7.120 -8.774 -3.982 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.677 -8.771 -2.713 1.00 0.00 C ATOM 1415 CD2 PHE A 87 5.985 -8.014 -4.213 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.114 -8.024 -1.695 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.418 -7.265 -3.200 1.00 0.00 C ATOM 1418 CZ PHE A 87 5.982 -7.270 -1.939 1.00 0.00 C ATOM 0 H PHE A 87 9.420 -7.478 -4.211 1.00 0.00 H new ATOM 0 HA PHE A 87 9.702 -9.884 -5.900 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.049 -9.614 -5.931 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.860 -10.614 -4.742 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.561 -9.359 -2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.538 -8.007 -5.196 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.558 -8.030 -0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.534 -6.676 -3.394 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.539 -6.686 -1.146 1.00 0.00 H new ATOM 1428 N LYS A 88 8.204 -8.557 -7.761 1.00 0.00 N ATOM 1429 CA LYS A 88 7.941 -7.738 -8.938 1.00 0.00 C ATOM 1430 C LYS A 88 6.529 -7.979 -9.464 1.00 0.00 C ATOM 1431 O LYS A 88 6.025 -9.100 -9.422 1.00 0.00 O ATOM 1432 CB LYS A 88 8.964 -8.041 -10.035 1.00 0.00 C ATOM 1433 CG LYS A 88 8.817 -9.427 -10.638 1.00 0.00 C ATOM 1434 CD LYS A 88 9.474 -9.513 -12.005 1.00 0.00 C ATOM 1435 CE LYS A 88 8.771 -10.524 -12.898 1.00 0.00 C ATOM 1436 NZ LYS A 88 7.590 -9.932 -13.585 1.00 0.00 N ATOM 0 H LYS A 88 7.823 -9.502 -7.811 1.00 0.00 H new ATOM 0 HA LYS A 88 8.028 -6.691 -8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.867 -7.298 -10.826 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.968 -7.938 -9.623 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.264 -10.164 -9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.760 -9.677 -10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.457 -8.532 -12.480 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.521 -9.794 -11.890 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.473 -10.901 -13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.453 -11.377 -12.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.139 -10.653 -14.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.908 -9.595 -12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.897 -9.133 -14.177 1.00 0.00 H new ATOM 1450 N ALA A 89 5.898 -6.920 -9.960 1.00 0.00 N ATOM 1451 CA ALA A 89 4.547 -7.018 -10.497 1.00 0.00 C ATOM 1452 C ALA A 89 4.518 -6.659 -11.979 1.00 0.00 C ATOM 1453 O ALA A 89 4.883 -5.549 -12.366 1.00 0.00 O ATOM 1454 CB ALA A 89 3.602 -6.117 -9.716 1.00 0.00 C ATOM 0 H ALA A 89 6.301 -5.984 -10.001 1.00 0.00 H new ATOM 0 HA ALA A 89 4.216 -8.051 -10.393 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.596 -6.200 -10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.592 -6.421 -8.669 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.940 -5.083 -9.790 1.00 0.00 H new ATOM 1460 N ALA A 90 4.083 -7.606 -12.804 1.00 0.00 N ATOM 1461 CA ALA A 90 4.005 -7.388 -14.243 1.00 0.00 C ATOM 1462 C ALA A 90 2.613 -6.920 -14.653 1.00 0.00 C ATOM 1463 O ALA A 90 1.606 -7.408 -14.139 1.00 0.00 O ATOM 1464 CB ALA A 90 4.377 -8.661 -14.990 1.00 0.00 C ATOM 0 H ALA A 90 3.779 -8.531 -12.500 1.00 0.00 H new ATOM 0 HA ALA A 90 4.715 -6.604 -14.506 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.315 -8.484 -16.064 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.394 -8.952 -14.729 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.689 -9.460 -14.713 1.00 0.00 H new ATOM 1470 N HIS A 91 2.563 -5.971 -15.583 1.00 0.00 N ATOM 1471 CA HIS A 91 1.293 -5.436 -16.062 1.00 0.00 C ATOM 1472 C HIS A 91 1.261 -5.397 -17.587 1.00 0.00 C ATOM 1473 O HIS A 91 2.245 -5.055 -18.244 1.00 0.00 O ATOM 1474 CB HIS A 91 1.061 -4.034 -15.499 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.385 -3.649 -15.429 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -1.086 -3.160 -16.510 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.262 -3.684 -14.398 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.332 -2.909 -16.148 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.464 -3.219 -14.871 1.00 0.00 N ATOM 0 H HIS A 91 3.387 -5.557 -16.020 1.00 0.00 H new ATOM 0 HA HIS A 91 0.496 -6.094 -15.716 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.493 -3.977 -14.500 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.592 -3.310 -16.118 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.055 -4.016 -13.391 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.109 -2.517 -16.787 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.320 -3.128 -14.325 1.00 0.00 H new ATOM 1488 N PRO A 92 0.105 -5.755 -18.165 1.00 0.00 N ATOM 1489 CA PRO A 92 -0.082 -5.768 -19.618 1.00 0.00 C ATOM 1490 C PRO A 92 -0.212 -4.364 -20.199 1.00 0.00 C ATOM 1491 O PRO A 92 0.469 -4.016 -21.163 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.389 -6.545 -19.800 1.00 0.00 C ATOM 1493 CG PRO A 92 -2.144 -6.318 -18.536 1.00 0.00 C ATOM 1494 CD PRO A 92 -1.109 -6.173 -17.443 1.00 0.00 C ATOM 0 HA PRO A 92 0.769 -6.211 -20.134 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.947 -6.185 -20.664 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.199 -7.606 -19.963 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.762 -5.423 -18.608 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.814 -7.152 -18.328 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.410 -5.432 -16.703 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.955 -7.111 -16.910 1.00 0.00 H new ATOM 1502 N ASN A 93 -1.090 -3.562 -19.606 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.308 -2.195 -20.065 1.00 0.00 C ATOM 1504 C ASN A 93 -0.364 -1.227 -19.359 1.00 0.00 C ATOM 1505 O ASN A 93 -0.496 -0.010 -19.490 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.760 -1.779 -19.821 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.710 -2.366 -20.847 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -3.294 -2.783 -21.928 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -4.995 -2.402 -20.512 1.00 0.00 N ATOM 0 H ASN A 93 -1.662 -3.835 -18.807 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.102 -2.160 -21.135 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.064 -2.098 -18.824 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.832 -0.692 -19.843 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.681 -2.786 -21.162 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.296 -2.045 -19.605 1.00 0.00 H new ATOM 1516 N MET A 94 0.587 -1.776 -18.612 1.00 0.00 N ATOM 1517 CA MET A 94 1.555 -0.960 -17.887 1.00 0.00 C ATOM 1518 C MET A 94 2.906 -1.664 -17.804 1.00 0.00 C ATOM 1519 O MET A 94 3.087 -2.746 -18.363 1.00 0.00 O ATOM 1520 CB MET A 94 1.040 -0.652 -16.479 1.00 0.00 C ATOM 1521 CG MET A 94 0.076 0.522 -16.428 1.00 0.00 C ATOM 1522 SD MET A 94 -1.132 0.371 -15.098 1.00 0.00 S ATOM 1523 CE MET A 94 -0.056 0.092 -13.694 1.00 0.00 C ATOM 0 H MET A 94 0.709 -2.782 -18.492 1.00 0.00 H new ATOM 0 HA MET A 94 1.686 -0.025 -18.432 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.543 -1.537 -16.081 1.00 0.00 H new ATOM 0 HB3 MET A 94 1.889 -0.443 -15.828 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.641 1.445 -16.298 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.447 0.600 -17.381 1.00 0.00 H new ATOM 0 HE1 MET A 94 -0.658 -0.127 -12.812 1.00 0.00 H new ATOM 0 HE2 MET A 94 0.603 -0.751 -13.902 1.00 0.00 H new ATOM 0 HE3 MET A 94 0.543 0.984 -13.512 1.00 0.00 H new ATOM 1533 N ARG A 95 3.850 -1.043 -17.105 1.00 0.00 N ATOM 1534 CA ARG A 95 5.184 -1.609 -16.951 1.00 0.00 C ATOM 1535 C ARG A 95 5.251 -2.517 -15.727 1.00 0.00 C ATOM 1536 O ARG A 95 4.273 -2.664 -14.994 1.00 0.00 O ATOM 1537 CB ARG A 95 6.224 -0.494 -16.830 1.00 0.00 C ATOM 1538 CG ARG A 95 5.985 0.436 -15.651 1.00 0.00 C ATOM 1539 CD ARG A 95 7.179 1.346 -15.408 1.00 0.00 C ATOM 1540 NE ARG A 95 7.207 2.472 -16.337 1.00 0.00 N ATOM 1541 CZ ARG A 95 6.382 3.510 -16.258 1.00 0.00 C ATOM 1542 NH1 ARG A 95 5.470 3.564 -15.297 1.00 0.00 N ATOM 1543 NH2 ARG A 95 6.468 4.497 -17.140 1.00 0.00 N ATOM 0 H ARG A 95 3.715 -0.147 -16.636 1.00 0.00 H new ATOM 0 HA ARG A 95 5.403 -2.205 -17.837 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.214 -0.941 -16.735 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.225 0.091 -17.749 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.097 1.041 -15.837 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.787 -0.153 -14.756 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.147 1.721 -14.385 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.099 0.771 -15.508 1.00 0.00 H new ATOM 0 HE ARG A 95 7.898 2.461 -17.088 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.401 2.807 -14.616 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.838 4.362 -15.238 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.168 4.460 -17.880 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.834 5.293 -17.078 1.00 0.00 H new ATOM 1557 N THR A 96 6.413 -3.126 -15.511 1.00 0.00 N ATOM 1558 CA THR A 96 6.608 -4.022 -14.378 1.00 0.00 C ATOM 1559 C THR A 96 7.065 -3.253 -13.143 1.00 0.00 C ATOM 1560 O THR A 96 8.114 -2.609 -13.154 1.00 0.00 O ATOM 1561 CB THR A 96 7.642 -5.117 -14.698 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.207 -5.887 -15.824 1.00 0.00 O ATOM 1563 CG2 THR A 96 7.850 -6.032 -13.501 1.00 0.00 C ATOM 0 H THR A 96 7.234 -3.015 -16.106 1.00 0.00 H new ATOM 0 HA THR A 96 5.645 -4.491 -14.176 1.00 0.00 H new ATOM 0 HB THR A 96 8.590 -4.633 -14.934 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.871 -6.580 -16.022 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.585 -6.797 -13.751 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.209 -5.447 -12.654 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.905 -6.508 -13.238 1.00 0.00 H new ATOM 1571 N TYR A 97 6.272 -3.326 -12.080 1.00 0.00 N ATOM 1572 CA TYR A 97 6.595 -2.636 -10.837 1.00 0.00 C ATOM 1573 C TYR A 97 7.472 -3.506 -9.942 1.00 0.00 C ATOM 1574 O TYR A 97 7.655 -4.696 -10.200 1.00 0.00 O ATOM 1575 CB TYR A 97 5.314 -2.250 -10.095 1.00 0.00 C ATOM 1576 CG TYR A 97 4.566 -1.102 -10.734 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.292 -1.098 -12.097 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.133 -0.022 -9.976 1.00 0.00 C ATOM 1579 CE1 TYR A 97 3.611 -0.050 -12.685 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.449 1.030 -10.555 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.191 1.011 -11.910 1.00 0.00 C ATOM 1582 OH TYR A 97 2.510 2.056 -12.492 1.00 0.00 O ATOM 0 H TYR A 97 5.401 -3.856 -12.054 1.00 0.00 H new ATOM 0 HA TYR A 97 7.148 -1.731 -11.088 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.657 -3.118 -10.046 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.565 -1.982 -9.069 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.617 -1.928 -12.706 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.334 -0.004 -8.915 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.408 -0.061 -13.746 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.119 1.862 -9.950 1.00 0.00 H new ATOM 0 HH TYR A 97 2.285 2.721 -11.808 1.00 0.00 H new ATOM 1592 N TYR A 98 8.011 -2.904 -8.887 1.00 0.00 N ATOM 1593 CA TYR A 98 8.870 -3.623 -7.953 1.00 0.00 C ATOM 1594 C TYR A 98 8.671 -3.114 -6.529 1.00 0.00 C ATOM 1595 O TYR A 98 8.717 -1.910 -6.275 1.00 0.00 O ATOM 1596 CB TYR A 98 10.337 -3.474 -8.360 1.00 0.00 C ATOM 1597 CG TYR A 98 10.704 -4.258 -9.600 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.421 -3.764 -10.867 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.332 -5.494 -9.504 1.00 0.00 C ATOM 1600 CE1 TYR A 98 10.753 -4.477 -12.003 1.00 0.00 C ATOM 1601 CE2 TYR A 98 11.670 -6.213 -10.634 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.378 -5.700 -11.881 1.00 0.00 C ATOM 1603 OH TYR A 98 11.712 -6.414 -13.009 1.00 0.00 O ATOM 0 H TYR A 98 7.868 -1.920 -8.657 1.00 0.00 H new ATOM 0 HA TYR A 98 8.597 -4.678 -7.984 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.553 -2.419 -8.530 1.00 0.00 H new ATOM 0 HB3 TYR A 98 10.969 -3.800 -7.534 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.933 -2.806 -10.966 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.560 -5.899 -8.529 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.524 -4.079 -12.981 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.160 -7.171 -10.542 1.00 0.00 H new ATOM 0 HH TYR A 98 12.146 -7.253 -12.748 1.00 0.00 H new ATOM 1613 N PHE A 99 8.451 -4.041 -5.602 1.00 0.00 N ATOM 1614 CA PHE A 99 8.246 -3.688 -4.202 1.00 0.00 C ATOM 1615 C PHE A 99 9.154 -4.512 -3.294 1.00 0.00 C ATOM 1616 O PHE A 99 9.407 -5.689 -3.555 1.00 0.00 O ATOM 1617 CB PHE A 99 6.782 -3.903 -3.810 1.00 0.00 C ATOM 1618 CG PHE A 99 5.807 -3.309 -4.785 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.356 -4.045 -5.869 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.340 -2.015 -4.618 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.459 -3.501 -6.768 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.443 -1.465 -5.514 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.001 -2.210 -6.590 1.00 0.00 C ATOM 0 H PHE A 99 8.410 -5.042 -5.795 1.00 0.00 H new ATOM 0 HA PHE A 99 8.498 -2.635 -4.078 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.591 -4.973 -3.723 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.610 -3.468 -2.826 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.710 -5.055 -6.013 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.681 -1.429 -3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.116 -4.085 -7.609 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.088 -0.455 -5.373 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.299 -1.784 -7.291 1.00 0.00 H new ATOM 1633 N CYS A 100 9.641 -3.886 -2.229 1.00 0.00 N ATOM 1634 CA CYS A 100 10.522 -4.560 -1.282 1.00 0.00 C ATOM 1635 C CYS A 100 10.169 -4.184 0.153 1.00 0.00 C ATOM 1636 O CYS A 100 9.585 -3.129 0.404 1.00 0.00 O ATOM 1637 CB CYS A 100 11.982 -4.205 -1.571 1.00 0.00 C ATOM 1638 SG CYS A 100 12.441 -2.523 -1.094 1.00 0.00 S ATOM 0 H CYS A 100 9.441 -2.913 -1.999 1.00 0.00 H new ATOM 0 HA CYS A 100 10.386 -5.635 -1.400 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.627 -4.909 -1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.172 -4.334 -2.637 1.00 0.00 H new ATOM 0 HG CYS A 100 12.641 -1.808 -2.161 1.00 0.00 H new ATOM 1644 N THR A 101 10.525 -5.054 1.092 1.00 0.00 N ATOM 1645 CA THR A 101 10.243 -4.815 2.502 1.00 0.00 C ATOM 1646 C THR A 101 11.517 -4.882 3.337 1.00 0.00 C ATOM 1647 O THR A 101 12.601 -5.143 2.813 1.00 0.00 O ATOM 1648 CB THR A 101 9.228 -5.834 3.053 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.560 -7.151 2.598 1.00 0.00 O ATOM 1650 CG2 THR A 101 7.815 -5.482 2.614 1.00 0.00 C ATOM 0 H THR A 101 11.010 -5.931 0.902 1.00 0.00 H new ATOM 0 HA THR A 101 9.817 -3.814 2.573 1.00 0.00 H new ATOM 0 HB THR A 101 9.271 -5.804 4.142 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.882 -7.687 3.353 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.116 -6.216 3.015 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.555 -4.491 2.986 1.00 0.00 H new ATOM 0 HG23 THR A 101 7.760 -5.486 1.525 1.00 0.00 H new ATOM 1658 N ASP A 102 11.381 -4.645 4.637 1.00 0.00 N ATOM 1659 CA ASP A 102 12.521 -4.681 5.544 1.00 0.00 C ATOM 1660 C ASP A 102 13.013 -6.111 5.743 1.00 0.00 C ATOM 1661 O ASP A 102 14.215 -6.377 5.703 1.00 0.00 O ATOM 1662 CB ASP A 102 12.146 -4.065 6.893 1.00 0.00 C ATOM 1663 CG ASP A 102 12.410 -2.573 6.942 1.00 0.00 C ATOM 1664 OD1 ASP A 102 13.319 -2.107 6.223 1.00 0.00 O ATOM 1665 OD2 ASP A 102 11.707 -1.871 7.698 1.00 0.00 O ATOM 0 H ASP A 102 10.492 -4.426 5.086 1.00 0.00 H new ATOM 0 HA ASP A 102 13.327 -4.098 5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.091 -4.251 7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.712 -4.557 7.684 1.00 0.00 H new ATOM 1670 N THR A 103 12.076 -7.029 5.960 1.00 0.00 N ATOM 1671 CA THR A 103 12.414 -8.431 6.168 1.00 0.00 C ATOM 1672 C THR A 103 11.421 -9.347 5.461 1.00 0.00 C ATOM 1673 O THR A 103 10.536 -8.882 4.744 1.00 0.00 O ATOM 1674 CB THR A 103 12.444 -8.786 7.667 1.00 0.00 C ATOM 1675 OG1 THR A 103 12.911 -10.128 7.844 1.00 0.00 O ATOM 1676 CG2 THR A 103 11.062 -8.640 8.285 1.00 0.00 C ATOM 0 H THR A 103 11.077 -6.826 5.996 1.00 0.00 H new ATOM 0 HA THR A 103 13.408 -8.582 5.746 1.00 0.00 H new ATOM 0 HB THR A 103 13.124 -8.096 8.167 1.00 0.00 H new ATOM 0 HG1 THR A 103 13.695 -10.279 7.276 1.00 0.00 H new ATOM 0 HG21 THR A 103 11.108 -8.896 9.344 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.721 -7.611 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.365 -9.309 7.780 1.00 0.00 H new ATOM 1684 N GLY A 104 11.575 -10.651 5.668 1.00 0.00 N ATOM 1685 CA GLY A 104 10.684 -11.611 5.043 1.00 0.00 C ATOM 1686 C GLY A 104 9.241 -11.428 5.471 1.00 0.00 C ATOM 1687 O GLY A 104 8.339 -11.372 4.635 1.00 0.00 O ATOM 0 H GLY A 104 12.301 -11.060 6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.753 -11.514 3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.009 -12.621 5.294 1.00 0.00 H new ATOM 1691 N LYS A 105 9.021 -11.335 6.778 1.00 0.00 N ATOM 1692 CA LYS A 105 7.678 -11.157 7.318 1.00 0.00 C ATOM 1693 C LYS A 105 6.967 -9.993 6.635 1.00 0.00 C ATOM 1694 O LYS A 105 5.882 -10.158 6.079 1.00 0.00 O ATOM 1695 CB LYS A 105 7.741 -10.916 8.827 1.00 0.00 C ATOM 1696 CG LYS A 105 6.395 -10.579 9.446 1.00 0.00 C ATOM 1697 CD LYS A 105 5.514 -11.811 9.570 1.00 0.00 C ATOM 1698 CE LYS A 105 4.428 -11.616 10.617 1.00 0.00 C ATOM 1699 NZ LYS A 105 3.993 -12.910 11.212 1.00 0.00 N ATOM 0 H LYS A 105 9.756 -11.380 7.484 1.00 0.00 H new ATOM 0 HA LYS A 105 7.112 -12.068 7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.142 -11.806 9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.438 -10.102 9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.547 -10.138 10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.890 -9.830 8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.056 -12.031 8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.127 -12.673 9.836 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.797 -10.960 11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.571 -11.119 10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.252 -12.735 11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.617 -13.527 10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.805 -13.373 11.667 1.00 0.00 H new ATOM 1713 N GLU A 106 7.587 -8.818 6.680 1.00 0.00 N ATOM 1714 CA GLU A 106 7.013 -7.628 6.065 1.00 0.00 C ATOM 1715 C GLU A 106 6.624 -7.899 4.614 1.00 0.00 C ATOM 1716 O GLU A 106 5.786 -7.200 4.045 1.00 0.00 O ATOM 1717 CB GLU A 106 8.004 -6.464 6.130 1.00 0.00 C ATOM 1718 CG GLU A 106 8.095 -5.818 7.502 1.00 0.00 C ATOM 1719 CD GLU A 106 7.053 -4.736 7.709 1.00 0.00 C ATOM 1720 OE1 GLU A 106 7.254 -3.613 7.201 1.00 0.00 O ATOM 1721 OE2 GLU A 106 6.036 -5.014 8.378 1.00 0.00 O ATOM 0 H GLU A 106 8.487 -8.665 7.136 1.00 0.00 H new ATOM 0 HA GLU A 106 6.114 -7.361 6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.992 -6.822 5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.712 -5.708 5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.975 -6.584 8.268 1.00 0.00 H new ATOM 0 HG3 GLU A 106 9.089 -5.390 7.632 1.00 0.00 H new ATOM 1728 N MET A 107 7.239 -8.917 4.023 1.00 0.00 N ATOM 1729 CA MET A 107 6.958 -9.282 2.640 1.00 0.00 C ATOM 1730 C MET A 107 5.821 -10.296 2.565 1.00 0.00 C ATOM 1731 O MET A 107 4.914 -10.165 1.744 1.00 0.00 O ATOM 1732 CB MET A 107 8.211 -9.853 1.975 1.00 0.00 C ATOM 1733 CG MET A 107 7.912 -10.773 0.802 1.00 0.00 C ATOM 1734 SD MET A 107 9.337 -11.011 -0.276 1.00 0.00 S ATOM 1735 CE MET A 107 9.279 -12.783 -0.527 1.00 0.00 C ATOM 0 H MET A 107 7.936 -9.505 4.481 1.00 0.00 H new ATOM 0 HA MET A 107 6.653 -8.381 2.108 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.836 -9.030 1.630 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.789 -10.402 2.719 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.582 -11.741 1.180 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.088 -10.359 0.222 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.062 -13.260 0.062 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.307 -13.163 -0.214 1.00 0.00 H new ATOM 0 HE3 MET A 107 9.433 -13.006 -1.583 1.00 0.00 H new ATOM 1745 N GLU A 108 5.878 -11.306 3.427 1.00 0.00 N ATOM 1746 CA GLU A 108 4.853 -12.343 3.457 1.00 0.00 C ATOM 1747 C GLU A 108 3.475 -11.739 3.711 1.00 0.00 C ATOM 1748 O GLU A 108 2.468 -12.216 3.186 1.00 0.00 O ATOM 1749 CB GLU A 108 5.174 -13.379 4.536 1.00 0.00 C ATOM 1750 CG GLU A 108 4.542 -13.071 5.883 1.00 0.00 C ATOM 1751 CD GLU A 108 4.903 -14.092 6.944 1.00 0.00 C ATOM 1752 OE1 GLU A 108 6.010 -13.990 7.514 1.00 0.00 O ATOM 1753 OE2 GLU A 108 4.080 -14.994 7.204 1.00 0.00 O ATOM 0 H GLU A 108 6.622 -11.428 4.113 1.00 0.00 H new ATOM 0 HA GLU A 108 4.842 -12.834 2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.834 -14.358 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.255 -13.442 4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.861 -12.082 6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.458 -13.036 5.772 1.00 0.00 H new ATOM 1760 N LEU A 109 3.437 -10.686 4.521 1.00 0.00 N ATOM 1761 CA LEU A 109 2.183 -10.015 4.846 1.00 0.00 C ATOM 1762 C LEU A 109 1.614 -9.301 3.624 1.00 0.00 C ATOM 1763 O LEU A 109 0.398 -9.211 3.457 1.00 0.00 O ATOM 1764 CB LEU A 109 2.398 -9.013 5.982 1.00 0.00 C ATOM 1765 CG LEU A 109 2.965 -9.584 7.283 1.00 0.00 C ATOM 1766 CD1 LEU A 109 3.165 -8.479 8.308 1.00 0.00 C ATOM 1767 CD2 LEU A 109 2.048 -10.666 7.834 1.00 0.00 C ATOM 0 H LEU A 109 4.260 -10.279 4.965 1.00 0.00 H new ATOM 0 HA LEU A 109 1.467 -10.772 5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.071 -8.232 5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.444 -8.535 6.204 1.00 0.00 H new ATOM 0 HG LEU A 109 3.935 -10.032 7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.569 -8.904 9.227 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.861 -7.739 7.914 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.208 -8.001 8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.467 -11.061 8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.064 -10.242 8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.956 -11.471 7.105 1.00 0.00 H new ATOM 1779 N TRP A 110 2.501 -8.799 2.773 1.00 0.00 N ATOM 1780 CA TRP A 110 2.087 -8.095 1.565 1.00 0.00 C ATOM 1781 C TRP A 110 1.705 -9.080 0.465 1.00 0.00 C ATOM 1782 O TRP A 110 0.611 -9.008 -0.093 1.00 0.00 O ATOM 1783 CB TRP A 110 3.207 -7.175 1.076 1.00 0.00 C ATOM 1784 CG TRP A 110 3.176 -5.815 1.706 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.180 -5.216 2.412 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.086 -4.887 1.688 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.779 -3.971 2.835 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.499 -3.746 2.403 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.802 -4.909 1.137 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.673 -2.639 2.579 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 -0.017 -3.810 1.313 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.421 -2.687 2.029 1.00 0.00 C ATOM 0 H TRP A 110 3.511 -8.866 2.897 1.00 0.00 H new ATOM 0 HA TRP A 110 1.212 -7.492 1.808 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.169 -7.643 1.285 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.133 -7.068 -0.006 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.147 -5.656 2.609 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.343 -3.320 3.382 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.456 -5.769 0.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.009 -1.773 3.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -1.011 -3.816 0.892 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.243 -1.843 2.149 1.00 0.00 H new ATOM 1803 N MET A 111 2.615 -9.999 0.158 1.00 0.00 N ATOM 1804 CA MET A 111 2.371 -11.000 -0.875 1.00 0.00 C ATOM 1805 C MET A 111 1.055 -11.729 -0.626 1.00 0.00 C ATOM 1806 O MET A 111 0.121 -11.636 -1.423 1.00 0.00 O ATOM 1807 CB MET A 111 3.523 -12.005 -0.923 1.00 0.00 C ATOM 1808 CG MET A 111 4.836 -11.402 -1.395 1.00 0.00 C ATOM 1809 SD MET A 111 6.019 -12.651 -1.936 1.00 0.00 S ATOM 1810 CE MET A 111 6.123 -12.282 -3.686 1.00 0.00 C ATOM 0 H MET A 111 3.527 -10.071 0.609 1.00 0.00 H new ATOM 0 HA MET A 111 2.305 -10.487 -1.835 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.664 -12.431 0.070 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.251 -12.826 -1.586 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.640 -10.713 -2.216 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.275 -10.818 -0.586 1.00 0.00 H new ATOM 0 HE1 MET A 111 7.152 -12.409 -4.024 1.00 0.00 H new ATOM 0 HE2 MET A 111 5.473 -12.959 -4.240 1.00 0.00 H new ATOM 0 HE3 MET A 111 5.808 -11.253 -3.860 1.00 0.00 H new ATOM 1820 N LYS A 112 0.987 -12.455 0.485 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.216 -13.199 0.841 1.00 0.00 C ATOM 1822 C LYS A 112 -1.469 -12.452 0.398 1.00 0.00 C ATOM 1823 O LYS A 112 -2.421 -13.056 -0.096 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.261 -13.444 2.351 1.00 0.00 C ATOM 1825 CG LYS A 112 0.688 -14.534 2.819 1.00 0.00 C ATOM 1826 CD LYS A 112 0.182 -15.915 2.439 1.00 0.00 C ATOM 1827 CE LYS A 112 0.699 -16.980 3.394 1.00 0.00 C ATOM 1828 NZ LYS A 112 0.038 -18.295 3.169 1.00 0.00 N ATOM 0 H LYS A 112 1.751 -12.544 1.155 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.186 -14.158 0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.018 -12.516 2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.278 -13.712 2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.673 -14.373 2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.807 -14.474 3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.908 -15.918 2.444 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.497 -16.152 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.776 -17.089 3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.529 -16.659 4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.418 -18.994 3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.987 -18.198 3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.221 -18.614 2.196 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.462 -11.135 0.577 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.597 -10.305 0.193 1.00 0.00 C ATOM 1844 C ALA A 113 -2.585 -10.017 -1.304 1.00 0.00 C ATOM 1845 O ALA A 113 -3.495 -10.417 -2.030 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.592 -9.005 0.983 1.00 0.00 C ATOM 0 H ALA A 113 -0.682 -10.620 0.986 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.510 -10.853 0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.445 -8.395 0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.658 -9.226 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.669 -8.461 0.782 1.00 0.00 H new ATOM 1852 N MET A 114 -1.548 -9.322 -1.760 1.00 0.00 N ATOM 1853 CA MET A 114 -1.418 -8.981 -3.172 1.00 0.00 C ATOM 1854 C MET A 114 -1.776 -10.173 -4.054 1.00 0.00 C ATOM 1855 O MET A 114 -2.676 -10.090 -4.892 1.00 0.00 O ATOM 1856 CB MET A 114 0.007 -8.516 -3.477 1.00 0.00 C ATOM 1857 CG MET A 114 0.362 -7.185 -2.834 1.00 0.00 C ATOM 1858 SD MET A 114 1.847 -6.447 -3.542 1.00 0.00 S ATOM 1859 CE MET A 114 2.435 -5.475 -2.157 1.00 0.00 C ATOM 0 H MET A 114 -0.786 -8.984 -1.173 1.00 0.00 H new ATOM 0 HA MET A 114 -2.112 -8.169 -3.390 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.710 -9.275 -3.133 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.130 -8.433 -4.557 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.473 -6.495 -2.951 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.508 -7.330 -1.764 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.490 -4.426 -2.446 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.748 -5.585 -1.318 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.425 -5.823 -1.863 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.068 -11.280 -3.861 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.311 -12.490 -4.639 1.00 0.00 C ATOM 1871 C LEU A 115 -2.802 -12.802 -4.708 1.00 0.00 C ATOM 1872 O LEU A 115 -3.295 -13.308 -5.717 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.558 -13.673 -4.029 1.00 0.00 C ATOM 1874 CG LEU A 115 0.871 -13.889 -4.529 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.871 -14.242 -6.009 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.719 -12.651 -4.275 1.00 0.00 C ATOM 0 H LEU A 115 -0.321 -11.365 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.947 -12.320 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.527 -13.540 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.130 -14.581 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 115 1.306 -14.722 -3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.896 -14.392 -6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.300 -15.157 -6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.417 -13.430 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.732 -12.824 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.286 -11.799 -4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.747 -12.442 -3.206 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.516 -12.496 -3.630 1.00 0.00 N ATOM 1889 CA ASP A 116 -4.952 -12.741 -3.569 1.00 0.00 C ATOM 1890 C ASP A 116 -5.717 -11.690 -4.366 1.00 0.00 C ATOM 1891 O ASP A 116 -6.761 -11.978 -4.951 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.429 -12.745 -2.116 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.667 -13.597 -1.915 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -7.784 -13.078 -2.122 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -6.518 -14.782 -1.551 1.00 0.00 O ATOM 0 H ASP A 116 -3.123 -12.078 -2.787 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.148 -13.718 -4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.629 -13.115 -1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.641 -11.722 -1.803 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.191 -10.469 -4.384 1.00 0.00 N ATOM 1901 CA ALA A 117 -5.824 -9.375 -5.109 1.00 0.00 C ATOM 1902 C ALA A 117 -5.373 -9.349 -6.566 1.00 0.00 C ATOM 1903 O ALA A 117 -5.924 -8.611 -7.383 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.515 -8.046 -4.435 1.00 0.00 C ATOM 0 H ALA A 117 -4.328 -10.213 -3.904 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.902 -9.536 -5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -5.994 -7.238 -4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.892 -8.060 -3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.437 -7.887 -4.422 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.368 -10.158 -6.884 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.845 -10.228 -8.243 1.00 0.00 C ATOM 1912 C ALA A 118 -4.414 -11.430 -8.989 1.00 0.00 C ATOM 1913 O ALA A 118 -4.799 -11.324 -10.155 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.325 -10.291 -8.220 1.00 0.00 C ATOM 0 H ALA A 118 -3.900 -10.774 -6.219 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.153 -9.326 -8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.948 -10.343 -9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.931 -9.399 -7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.006 -11.176 -7.670 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.465 -12.571 -8.312 1.00 0.00 N ATOM 1921 CA LEU A 119 -4.988 -13.794 -8.912 1.00 0.00 C ATOM 1922 C LEU A 119 -6.483 -13.670 -9.187 1.00 0.00 C ATOM 1923 O LEU A 119 -7.024 -14.352 -10.057 1.00 0.00 O ATOM 1924 CB LEU A 119 -4.724 -14.989 -7.994 1.00 0.00 C ATOM 1925 CG LEU A 119 -5.790 -15.269 -6.934 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -6.841 -16.226 -7.475 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -5.153 -15.832 -5.672 1.00 0.00 C ATOM 0 H LEU A 119 -4.151 -12.676 -7.347 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.475 -13.952 -9.861 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.613 -15.879 -8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -3.771 -14.830 -7.489 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.279 -14.328 -6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.592 -16.414 -6.707 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.319 -15.785 -8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.367 -17.166 -7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -5.927 -16.025 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -4.637 -16.762 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.438 -15.112 -5.273 1.00 0.00 H new