USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 949 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 43 MET CE :methyl -174:sc= -8.65! (180deg=-6.84!) USER MOD Set 1.2: A 136 MET CE :methyl -173:sc= -10.5! (180deg=-9.7!) USER MOD Set 2.1: A 117 ASN : amide:sc= -0.418 K(o=-2,f=-0.9) USER MOD Set 2.2: A 134 GLN : amide:sc= -1.55 X(o=-2,f=-2.2!) USER MOD Set 3.1: A 71 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 76 MET CE :methyl -120:sc= -1.82 (180deg=-3.86!) USER MOD Set 4.1: A 47 HIS : no HD1:sc= -0.762 K(o=-1.8,f=-10!) USER MOD Set 4.2: A 78 ASN : amide:sc= -1.06! X(o=-1.8!,f=-1.7) USER MOD Set 5.1: A 22 HIS : no HE2:sc= -1.28 K(o=-1.4,f=-7.2!) USER MOD Set 5.2: A 68 SER OG : rot -126:sc= -0.143 USER MOD Single : A 24 HIS : no HE2:sc= -16! C(o=-16!,f=-15!) USER MOD Single : A 27 THR OG1 : rot -87:sc= -0.753! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.162 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 143:sc= -0.276! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0606 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 73 ASN : amide:sc= -8.7! C(o=-8.7!,f=-14!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -81:sc= 0.277 USER MOD Single : A 96 TYR OH : rot -102:sc= -1.35! USER MOD Single : A 106 SER OG : rot 66:sc= 1.17 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -3.05 K(o=-3.1,f=-5!) USER MOD Single : A 115 ASN : amide:sc= -3.62! C(o=-3.6!,f=-8.1!) USER MOD Single : A 119 ASN : amide:sc= -0.648 K(o=-0.65,f=-6.6!) USER MOD Single : A 121 SER OG : rot 57:sc= 1.28 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 168:sc= -0.0853 (180deg=-0.18) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.328 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 107:sc= -3.51 USER MOD Single : A 131 GLN : amide:sc= -2.47! K(o=-2.5!,f=-1.9) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= -2.57 K(o=-2.6,f=-5.6!) USER MOD Single : A 144 THR OG1 : rot 26:sc= -0.288 USER MOD ----------------------------------------------------------------- ATOM 308 N HIS A 22 -8.399 0.089 -10.745 1.00 0.00 N ATOM 309 CA HIS A 22 -8.547 -0.845 -9.633 1.00 0.00 C ATOM 310 C HIS A 22 -7.216 -1.522 -9.334 1.00 0.00 C ATOM 311 O HIS A 22 -6.830 -2.474 -10.010 1.00 0.00 O ATOM 312 CB HIS A 22 -9.612 -1.895 -9.955 1.00 0.00 C ATOM 313 CG HIS A 22 -9.320 -2.680 -11.196 1.00 0.00 C ATOM 314 ND1 HIS A 22 -8.798 -3.957 -11.175 1.00 0.00 N ATOM 315 CD2 HIS A 22 -9.481 -2.364 -12.503 1.00 0.00 C ATOM 316 CE1 HIS A 22 -8.650 -4.392 -12.413 1.00 0.00 C ATOM 317 NE2 HIS A 22 -9.058 -3.444 -13.237 1.00 0.00 N ATOM 0 HA HIS A 22 -8.864 -0.287 -8.752 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.701 -2.581 -9.113 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.577 -1.400 -10.066 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -8.563 -4.483 -10.334 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.870 -1.436 -12.895 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.262 -5.357 -12.702 1.00 0.00 H new ATOM 326 N ILE A 23 -6.512 -1.009 -8.330 1.00 0.00 N ATOM 327 CA ILE A 23 -5.210 -1.541 -7.952 1.00 0.00 C ATOM 328 C ILE A 23 -4.917 -1.289 -6.464 1.00 0.00 C ATOM 329 O ILE A 23 -5.212 -2.135 -5.605 1.00 0.00 O ATOM 330 CB ILE A 23 -4.103 -0.898 -8.821 1.00 0.00 C ATOM 331 CG1 ILE A 23 -4.268 -1.294 -10.289 1.00 0.00 C ATOM 332 CG2 ILE A 23 -2.726 -1.287 -8.321 1.00 0.00 C ATOM 333 CD1 ILE A 23 -5.056 -0.285 -11.096 1.00 0.00 C ATOM 0 H ILE A 23 -6.824 -0.222 -7.762 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.224 -2.618 -8.119 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.202 0.185 -8.742 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.282 -1.418 -10.738 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.767 -2.262 -10.343 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.966 -0.822 -8.949 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.603 -0.948 -7.292 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.617 -2.371 -8.362 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.136 -0.627 -12.128 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.054 -0.179 -10.671 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.547 0.678 -11.071 1.00 0.00 H new ATOM 345 N HIS A 24 -4.339 -0.119 -6.161 1.00 0.00 N ATOM 346 CA HIS A 24 -4.012 0.234 -4.784 1.00 0.00 C ATOM 347 C HIS A 24 -5.177 0.946 -4.119 1.00 0.00 C ATOM 348 O HIS A 24 -4.993 1.858 -3.318 1.00 0.00 O ATOM 349 CB HIS A 24 -2.748 1.101 -4.718 1.00 0.00 C ATOM 350 CG HIS A 24 -1.648 0.651 -5.635 1.00 0.00 C ATOM 351 ND1 HIS A 24 -1.542 1.055 -6.951 1.00 0.00 N ATOM 352 CD2 HIS A 24 -0.591 -0.168 -5.412 1.00 0.00 C ATOM 353 CE1 HIS A 24 -0.470 0.502 -7.493 1.00 0.00 C ATOM 354 NE2 HIS A 24 0.123 -0.242 -6.581 1.00 0.00 N ATOM 0 H HIS A 24 -4.092 0.591 -6.850 1.00 0.00 H new ATOM 0 HA HIS A 24 -3.816 -0.692 -4.243 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.013 2.130 -4.963 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.375 1.103 -3.694 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -2.189 1.682 -7.430 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -0.355 -0.670 -4.485 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.137 0.637 -8.511 1.00 0.00 H new ATOM 363 N TRP A 25 -6.371 0.510 -4.474 1.00 0.00 N ATOM 364 CA TRP A 25 -7.606 1.071 -3.951 1.00 0.00 C ATOM 365 C TRP A 25 -8.716 0.033 -4.017 1.00 0.00 C ATOM 366 O TRP A 25 -9.882 0.335 -3.761 1.00 0.00 O ATOM 367 CB TRP A 25 -7.996 2.290 -4.777 1.00 0.00 C ATOM 368 CG TRP A 25 -7.300 2.310 -6.100 1.00 0.00 C ATOM 369 CD1 TRP A 25 -7.767 1.799 -7.270 1.00 0.00 C ATOM 370 CD2 TRP A 25 -6.000 2.840 -6.380 1.00 0.00 C ATOM 371 NE1 TRP A 25 -6.832 1.972 -8.260 1.00 0.00 N ATOM 372 CE2 TRP A 25 -5.746 2.617 -7.742 1.00 0.00 C ATOM 373 CE3 TRP A 25 -5.031 3.483 -5.617 1.00 0.00 C ATOM 374 CZ2 TRP A 25 -4.560 3.014 -8.354 1.00 0.00 C ATOM 375 CZ3 TRP A 25 -3.860 3.877 -6.216 1.00 0.00 C ATOM 376 CH2 TRP A 25 -3.628 3.645 -7.577 1.00 0.00 C ATOM 0 H TRP A 25 -6.514 -0.250 -5.139 1.00 0.00 H new ATOM 0 HA TRP A 25 -7.456 1.365 -2.912 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.075 2.293 -4.934 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -7.752 3.197 -4.224 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.730 1.327 -7.401 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -6.933 1.667 -9.228 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -5.198 3.670 -4.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.383 2.830 -9.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -3.104 4.375 -5.627 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.698 3.969 -8.020 1.00 0.00 H new ATOM 387 N ARG A 26 -8.345 -1.191 -4.383 1.00 0.00 N ATOM 388 CA ARG A 26 -9.299 -2.275 -4.507 1.00 0.00 C ATOM 389 C ARG A 26 -10.204 -2.346 -3.286 1.00 0.00 C ATOM 390 O ARG A 26 -11.428 -2.306 -3.406 1.00 0.00 O ATOM 391 CB ARG A 26 -8.573 -3.607 -4.699 1.00 0.00 C ATOM 392 CG ARG A 26 -9.275 -4.548 -5.664 1.00 0.00 C ATOM 393 CD ARG A 26 -9.315 -3.975 -7.073 1.00 0.00 C ATOM 394 NE ARG A 26 -10.604 -4.209 -7.721 1.00 0.00 N ATOM 395 CZ ARG A 26 -10.971 -5.376 -8.242 1.00 0.00 C ATOM 396 NH1 ARG A 26 -10.150 -6.420 -8.194 1.00 0.00 N ATOM 397 NH2 ARG A 26 -12.160 -5.504 -8.813 1.00 0.00 N ATOM 0 H ARG A 26 -7.383 -1.452 -4.599 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.917 -2.080 -5.383 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.564 -3.412 -5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.473 -4.100 -3.732 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.761 -5.509 -5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.291 -4.735 -5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.117 -2.904 -7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.522 -4.425 -7.670 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.261 -3.431 -7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.233 -6.328 -7.756 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.436 -7.313 -8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.795 -4.707 -8.853 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.440 -6.400 -9.212 1.00 0.00 H new ATOM 411 N THR A 27 -9.592 -2.448 -2.105 1.00 0.00 N ATOM 412 CA THR A 27 -10.348 -2.519 -0.853 1.00 0.00 C ATOM 413 C THR A 27 -9.452 -2.893 0.323 1.00 0.00 C ATOM 414 O THR A 27 -8.500 -3.660 0.174 1.00 0.00 O ATOM 415 CB THR A 27 -11.495 -3.534 -0.960 1.00 0.00 C ATOM 416 OG1 THR A 27 -11.269 -4.445 -2.021 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.847 -2.891 -1.186 1.00 0.00 C ATOM 0 H THR A 27 -8.579 -2.483 -1.989 1.00 0.00 H new ATOM 0 HA THR A 27 -10.761 -1.526 -0.675 1.00 0.00 H new ATOM 0 HB THR A 27 -11.511 -4.048 0.001 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.622 -4.070 -2.855 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.612 -3.665 -1.252 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.076 -2.224 -0.355 1.00 0.00 H new ATOM 0 HG23 THR A 27 -12.828 -2.320 -2.114 1.00 0.00 H new ATOM 425 N LEU A 28 -9.775 -2.355 1.495 1.00 0.00 N ATOM 426 CA LEU A 28 -9.013 -2.637 2.705 1.00 0.00 C ATOM 427 C LEU A 28 -9.649 -3.784 3.481 1.00 0.00 C ATOM 428 O LEU A 28 -8.997 -4.787 3.772 1.00 0.00 O ATOM 429 CB LEU A 28 -8.932 -1.390 3.587 1.00 0.00 C ATOM 430 CG LEU A 28 -8.026 -1.523 4.812 1.00 0.00 C ATOM 431 CD1 LEU A 28 -7.526 -0.158 5.257 1.00 0.00 C ATOM 432 CD2 LEU A 28 -8.763 -2.219 5.946 1.00 0.00 C ATOM 0 H LEU A 28 -10.561 -1.720 1.632 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.004 -2.928 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.578 -0.557 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.937 -1.135 3.923 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.164 -2.131 4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.883 -0.273 6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.960 0.304 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.376 0.475 5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.104 -2.305 6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.644 -1.637 6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.071 -3.214 5.624 1.00 0.00 H new ATOM 444 N GLU A 29 -10.929 -3.633 3.807 1.00 0.00 N ATOM 445 CA GLU A 29 -11.655 -4.661 4.542 1.00 0.00 C ATOM 446 C GLU A 29 -11.676 -5.965 3.753 1.00 0.00 C ATOM 447 O GLU A 29 -11.558 -7.050 4.321 1.00 0.00 O ATOM 448 CB GLU A 29 -13.085 -4.202 4.832 1.00 0.00 C ATOM 449 CG GLU A 29 -13.684 -4.828 6.082 1.00 0.00 C ATOM 450 CD GLU A 29 -14.861 -5.733 5.774 1.00 0.00 C ATOM 451 OE1 GLU A 29 -14.638 -6.828 5.217 1.00 0.00 O ATOM 452 OE2 GLU A 29 -16.006 -5.347 6.091 1.00 0.00 O ATOM 0 H GLU A 29 -11.484 -2.809 3.574 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.143 -4.832 5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.095 -3.117 4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.716 -4.444 3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.916 -5.401 6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.006 -4.038 6.761 1.00 0.00 H new ATOM 459 N ASP A 30 -11.822 -5.848 2.436 1.00 0.00 N ATOM 460 CA ASP A 30 -11.850 -7.014 1.563 1.00 0.00 C ATOM 461 C ASP A 30 -10.433 -7.473 1.240 1.00 0.00 C ATOM 462 O ASP A 30 -10.164 -8.671 1.147 1.00 0.00 O ATOM 463 CB ASP A 30 -12.608 -6.695 0.271 1.00 0.00 C ATOM 464 CG ASP A 30 -13.964 -7.371 0.217 1.00 0.00 C ATOM 465 OD1 ASP A 30 -14.007 -8.594 -0.038 1.00 0.00 O ATOM 466 OD2 ASP A 30 -14.983 -6.679 0.428 1.00 0.00 O ATOM 0 H ASP A 30 -11.923 -4.956 1.951 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.367 -7.820 2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.739 -5.616 0.186 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.012 -7.012 -0.585 1.00 0.00 H new ATOM 471 N GLY A 31 -9.527 -6.512 1.075 1.00 0.00 N ATOM 472 CA GLY A 31 -8.147 -6.839 0.772 1.00 0.00 C ATOM 473 C GLY A 31 -7.520 -7.719 1.836 1.00 0.00 C ATOM 474 O GLY A 31 -6.685 -8.571 1.533 1.00 0.00 O ATOM 0 H GLY A 31 -9.725 -5.514 1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.099 -7.346 -0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.570 -5.919 0.677 1.00 0.00 H new ATOM 478 N LYS A 32 -7.927 -7.513 3.084 1.00 0.00 N ATOM 479 CA LYS A 32 -7.403 -8.295 4.198 1.00 0.00 C ATOM 480 C LYS A 32 -8.170 -9.605 4.345 1.00 0.00 C ATOM 481 O LYS A 32 -7.613 -10.617 4.766 1.00 0.00 O ATOM 482 CB LYS A 32 -7.485 -7.493 5.499 1.00 0.00 C ATOM 483 CG LYS A 32 -8.895 -7.060 5.862 1.00 0.00 C ATOM 484 CD LYS A 32 -9.193 -7.302 7.334 1.00 0.00 C ATOM 485 CE LYS A 32 -10.635 -7.734 7.547 1.00 0.00 C ATOM 486 NZ LYS A 32 -11.163 -7.278 8.861 1.00 0.00 N ATOM 0 H LYS A 32 -8.618 -6.811 3.350 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.358 -8.525 3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.078 -8.094 6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.854 -6.608 5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.021 -6.002 5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.613 -7.606 5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.522 -8.068 7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.997 -6.391 7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.256 -7.332 6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.701 -8.820 7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.149 -7.593 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.586 -7.682 9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.124 -6.240 8.909 1.00 0.00 H new ATOM 500 N LYS A 33 -9.452 -9.579 3.989 1.00 0.00 N ATOM 501 CA LYS A 33 -10.293 -10.766 4.078 1.00 0.00 C ATOM 502 C LYS A 33 -9.775 -11.858 3.147 1.00 0.00 C ATOM 503 O LYS A 33 -9.527 -12.985 3.575 1.00 0.00 O ATOM 504 CB LYS A 33 -11.742 -10.418 3.731 1.00 0.00 C ATOM 505 CG LYS A 33 -12.718 -10.677 4.868 1.00 0.00 C ATOM 506 CD LYS A 33 -14.129 -10.243 4.503 1.00 0.00 C ATOM 507 CE LYS A 33 -15.063 -11.434 4.361 1.00 0.00 C ATOM 508 NZ LYS A 33 -16.009 -11.267 3.224 1.00 0.00 N ATOM 0 H LYS A 33 -9.929 -8.749 3.637 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.258 -11.138 5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.797 -9.367 3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.048 -10.999 2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.716 -11.738 5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.391 -10.141 5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -14.512 -9.569 5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.108 -9.683 3.568 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.475 -12.340 4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.626 -11.566 5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.628 -12.101 3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -16.588 -10.417 3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.473 -11.167 2.338 1.00 0.00 H new ATOM 522 N GLU A 34 -9.611 -11.512 1.875 1.00 0.00 N ATOM 523 CA GLU A 34 -9.115 -12.460 0.886 1.00 0.00 C ATOM 524 C GLU A 34 -7.643 -12.770 1.131 1.00 0.00 C ATOM 525 O GLU A 34 -7.176 -13.876 0.859 1.00 0.00 O ATOM 526 CB GLU A 34 -9.302 -11.902 -0.527 1.00 0.00 C ATOM 527 CG GLU A 34 -8.940 -12.893 -1.621 1.00 0.00 C ATOM 528 CD GLU A 34 -9.898 -12.835 -2.796 1.00 0.00 C ATOM 529 OE1 GLU A 34 -9.666 -12.014 -3.709 1.00 0.00 O ATOM 530 OE2 GLU A 34 -10.875 -13.611 -2.805 1.00 0.00 O ATOM 0 H GLU A 34 -9.814 -10.583 1.505 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.687 -13.383 0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.340 -11.595 -0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.689 -11.008 -0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.928 -12.690 -1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.938 -13.901 -1.207 1.00 0.00 H new ATOM 537 N ALA A 35 -6.917 -11.785 1.653 1.00 0.00 N ATOM 538 CA ALA A 35 -5.500 -11.950 1.943 1.00 0.00 C ATOM 539 C ALA A 35 -5.275 -13.026 3.001 1.00 0.00 C ATOM 540 O ALA A 35 -4.189 -13.593 3.100 1.00 0.00 O ATOM 541 CB ALA A 35 -4.899 -10.629 2.398 1.00 0.00 C ATOM 0 H ALA A 35 -7.289 -10.864 1.883 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.003 -12.269 1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.839 -10.766 2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.017 -9.885 1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.410 -10.288 3.299 1.00 0.00 H new ATOM 547 N ALA A 36 -6.309 -13.303 3.791 1.00 0.00 N ATOM 548 CA ALA A 36 -6.220 -14.311 4.840 1.00 0.00 C ATOM 549 C ALA A 36 -6.223 -15.718 4.251 1.00 0.00 C ATOM 550 O ALA A 36 -5.544 -16.613 4.754 1.00 0.00 O ATOM 551 CB ALA A 36 -7.368 -14.149 5.824 1.00 0.00 C ATOM 0 H ALA A 36 -7.217 -12.843 3.724 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.278 -14.168 5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.290 -14.908 6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.322 -13.159 6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.316 -14.264 5.299 1.00 0.00 H new ATOM 557 N ALA A 37 -6.990 -15.907 3.183 1.00 0.00 N ATOM 558 CA ALA A 37 -7.081 -17.205 2.526 1.00 0.00 C ATOM 559 C ALA A 37 -5.955 -17.392 1.514 1.00 0.00 C ATOM 560 O ALA A 37 -5.055 -18.204 1.717 1.00 0.00 O ATOM 561 CB ALA A 37 -8.433 -17.357 1.847 1.00 0.00 C ATOM 0 H ALA A 37 -7.558 -15.177 2.754 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.979 -17.977 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.488 -18.331 1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.225 -17.278 2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.556 -16.571 1.102 1.00 0.00 H new ATOM 567 N SER A 38 -6.015 -16.635 0.423 1.00 0.00 N ATOM 568 CA SER A 38 -5.001 -16.718 -0.621 1.00 0.00 C ATOM 569 C SER A 38 -3.613 -16.428 -0.058 1.00 0.00 C ATOM 570 O SER A 38 -2.612 -16.956 -0.544 1.00 0.00 O ATOM 571 CB SER A 38 -5.320 -15.737 -1.752 1.00 0.00 C ATOM 572 OG SER A 38 -6.413 -16.194 -2.528 1.00 0.00 O ATOM 0 H SER A 38 -6.755 -15.958 0.239 1.00 0.00 H new ATOM 0 HA SER A 38 -5.008 -17.733 -1.017 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.551 -14.757 -1.334 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.444 -15.613 -2.389 1.00 0.00 H new ATOM 0 HG SER A 38 -6.599 -15.550 -3.243 1.00 0.00 H new ATOM 578 N GLY A 39 -3.559 -15.588 0.971 1.00 0.00 N ATOM 579 CA GLY A 39 -2.290 -15.248 1.584 1.00 0.00 C ATOM 580 C GLY A 39 -1.495 -14.251 0.765 1.00 0.00 C ATOM 581 O GLY A 39 -0.445 -14.586 0.219 1.00 0.00 O ATOM 0 H GLY A 39 -4.372 -15.137 1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.469 -14.836 2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.701 -16.155 1.717 1.00 0.00 H new ATOM 585 N LEU A 40 -1.991 -13.019 0.683 1.00 0.00 N ATOM 586 CA LEU A 40 -1.311 -11.972 -0.070 1.00 0.00 C ATOM 587 C LEU A 40 -1.304 -10.658 0.714 1.00 0.00 C ATOM 588 O LEU A 40 -2.327 -10.249 1.261 1.00 0.00 O ATOM 589 CB LEU A 40 -1.974 -11.780 -1.444 1.00 0.00 C ATOM 590 CG LEU A 40 -3.406 -11.230 -1.420 1.00 0.00 C ATOM 591 CD1 LEU A 40 -3.397 -9.729 -1.176 1.00 0.00 C ATOM 592 CD2 LEU A 40 -4.132 -11.552 -2.721 1.00 0.00 C ATOM 0 H LEU A 40 -2.860 -12.723 1.128 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.277 -12.279 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.355 -11.105 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.982 -12.740 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.941 -11.712 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.421 -9.356 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.922 -9.519 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.842 -9.234 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.145 -11.152 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.597 -11.102 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.173 -12.633 -2.857 1.00 0.00 H new ATOM 604 N PRO A 41 -0.142 -9.977 0.786 1.00 0.00 N ATOM 605 CA PRO A 41 -0.014 -8.707 1.511 1.00 0.00 C ATOM 606 C PRO A 41 -0.704 -7.565 0.779 1.00 0.00 C ATOM 607 O PRO A 41 -1.273 -7.766 -0.290 1.00 0.00 O ATOM 608 CB PRO A 41 1.497 -8.477 1.561 1.00 0.00 C ATOM 609 CG PRO A 41 2.023 -9.190 0.365 1.00 0.00 C ATOM 610 CD PRO A 41 1.134 -10.389 0.170 1.00 0.00 C ATOM 0 HA PRO A 41 -0.481 -8.744 2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.738 -7.414 1.527 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.928 -8.873 2.480 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.005 -8.544 -0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.059 -9.493 0.516 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.011 -10.629 -0.886 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.545 -11.276 0.653 1.00 0.00 H new ATOM 618 N LEU A 42 -0.670 -6.369 1.355 1.00 0.00 N ATOM 619 CA LEU A 42 -1.311 -5.227 0.731 1.00 0.00 C ATOM 620 C LEU A 42 -0.335 -4.074 0.521 1.00 0.00 C ATOM 621 O LEU A 42 0.674 -3.959 1.213 1.00 0.00 O ATOM 622 CB LEU A 42 -2.511 -4.772 1.565 1.00 0.00 C ATOM 623 CG LEU A 42 -2.626 -5.393 2.960 1.00 0.00 C ATOM 624 CD1 LEU A 42 -3.346 -4.447 3.906 1.00 0.00 C ATOM 625 CD2 LEU A 42 -3.354 -6.728 2.886 1.00 0.00 C ATOM 0 H LEU A 42 -0.210 -6.170 2.243 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.661 -5.540 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.465 -3.688 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.422 -4.999 1.011 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.621 -5.566 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.419 -4.905 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.790 -3.513 3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.347 -4.244 3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.428 -7.158 3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.355 -6.575 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.801 -7.409 2.238 1.00 0.00 H new ATOM 637 N MET A 43 -0.648 -3.226 -0.452 1.00 0.00 N ATOM 638 CA MET A 43 0.195 -2.074 -0.773 1.00 0.00 C ATOM 639 C MET A 43 -0.542 -0.759 -0.502 1.00 0.00 C ATOM 640 O MET A 43 -1.151 -0.178 -1.399 1.00 0.00 O ATOM 641 CB MET A 43 0.635 -2.138 -2.239 1.00 0.00 C ATOM 642 CG MET A 43 1.286 -0.857 -2.747 1.00 0.00 C ATOM 643 SD MET A 43 2.549 -0.215 -1.633 1.00 0.00 S ATOM 644 CE MET A 43 3.723 -1.565 -1.646 1.00 0.00 C ATOM 0 H MET A 43 -1.481 -3.313 -1.035 1.00 0.00 H new ATOM 0 HA MET A 43 1.076 -2.108 -0.132 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.336 -2.963 -2.361 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.233 -2.363 -2.859 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.733 -1.046 -3.723 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.517 -0.098 -2.891 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.513 -1.368 -0.921 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.214 -2.493 -1.384 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.159 -1.658 -2.641 1.00 0.00 H new ATOM 654 N VAL A 44 -0.486 -0.293 0.739 1.00 0.00 N ATOM 655 CA VAL A 44 -1.156 0.947 1.115 1.00 0.00 C ATOM 656 C VAL A 44 -0.577 2.156 0.387 1.00 0.00 C ATOM 657 O VAL A 44 0.475 2.672 0.758 1.00 0.00 O ATOM 658 CB VAL A 44 -1.073 1.192 2.637 1.00 0.00 C ATOM 659 CG1 VAL A 44 -1.509 2.607 2.992 1.00 0.00 C ATOM 660 CG2 VAL A 44 -1.918 0.174 3.376 1.00 0.00 C ATOM 0 H VAL A 44 0.014 -0.752 1.500 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.199 0.829 0.822 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.033 1.078 2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.440 2.749 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.861 3.324 2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.539 2.762 2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.852 0.356 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.956 0.262 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.554 -0.830 3.155 1.00 0.00 H new ATOM 670 N ILE A 45 -1.295 2.624 -0.626 1.00 0.00 N ATOM 671 CA ILE A 45 -0.882 3.798 -1.384 1.00 0.00 C ATOM 672 C ILE A 45 -1.748 4.985 -0.984 1.00 0.00 C ATOM 673 O ILE A 45 -2.958 4.976 -1.195 1.00 0.00 O ATOM 674 CB ILE A 45 -0.988 3.562 -2.911 1.00 0.00 C ATOM 675 CG1 ILE A 45 -0.015 2.451 -3.338 1.00 0.00 C ATOM 676 CG2 ILE A 45 -0.721 4.853 -3.688 1.00 0.00 C ATOM 677 CD1 ILE A 45 0.489 2.576 -4.764 1.00 0.00 C ATOM 0 H ILE A 45 -2.170 2.206 -0.943 1.00 0.00 H new ATOM 0 HA ILE A 45 0.164 4.001 -1.153 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.005 3.245 -3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.840 2.453 -2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.510 1.487 -3.223 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.802 4.658 -4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.452 5.608 -3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.282 5.214 -3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.169 1.753 -4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.355 2.542 -5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.015 3.523 -4.882 1.00 0.00 H new ATOM 689 N ILE A 46 -1.141 6.000 -0.386 1.00 0.00 N ATOM 690 CA ILE A 46 -1.889 7.168 0.048 1.00 0.00 C ATOM 691 C ILE A 46 -1.300 8.429 -0.564 1.00 0.00 C ATOM 692 O ILE A 46 -0.087 8.533 -0.736 1.00 0.00 O ATOM 693 CB ILE A 46 -1.902 7.279 1.582 1.00 0.00 C ATOM 694 CG1 ILE A 46 -2.105 5.898 2.210 1.00 0.00 C ATOM 695 CG2 ILE A 46 -2.996 8.226 2.040 1.00 0.00 C ATOM 696 CD1 ILE A 46 -1.191 5.635 3.383 1.00 0.00 C ATOM 0 H ILE A 46 -0.140 6.038 -0.192 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.918 7.055 -0.293 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.941 7.678 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.141 5.804 2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.940 5.133 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.989 8.291 3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.822 9.215 1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.964 7.853 1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.387 4.639 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.153 5.697 3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.372 6.378 4.159 1.00 0.00 H new ATOM 708 N HIS A 47 -2.160 9.375 -0.922 1.00 0.00 N ATOM 709 CA HIS A 47 -1.691 10.604 -1.546 1.00 0.00 C ATOM 710 C HIS A 47 -2.518 11.817 -1.144 1.00 0.00 C ATOM 711 O HIS A 47 -3.706 11.905 -1.457 1.00 0.00 O ATOM 712 CB HIS A 47 -1.719 10.453 -3.065 1.00 0.00 C ATOM 713 CG HIS A 47 -3.038 9.974 -3.589 1.00 0.00 C ATOM 714 ND1 HIS A 47 -3.744 10.635 -4.572 1.00 0.00 N ATOM 715 CD2 HIS A 47 -3.781 8.892 -3.257 1.00 0.00 C ATOM 716 CE1 HIS A 47 -4.864 9.981 -4.822 1.00 0.00 C ATOM 717 NE2 HIS A 47 -4.911 8.920 -4.039 1.00 0.00 N ATOM 0 H HIS A 47 -3.170 9.316 -0.793 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.672 10.772 -1.198 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -1.481 11.413 -3.523 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.940 9.753 -3.368 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.532 8.146 -2.516 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.614 10.266 -5.545 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.664 8.232 -4.018 1.00 0.00 H new ATOM 726 N LYS A 48 -1.873 12.764 -0.473 1.00 0.00 N ATOM 727 CA LYS A 48 -2.545 13.995 -0.055 1.00 0.00 C ATOM 728 C LYS A 48 -1.757 15.220 -0.516 1.00 0.00 C ATOM 729 O LYS A 48 -0.640 15.096 -1.019 1.00 0.00 O ATOM 730 CB LYS A 48 -2.734 14.027 1.461 1.00 0.00 C ATOM 731 CG LYS A 48 -4.153 13.711 1.903 1.00 0.00 C ATOM 732 CD LYS A 48 -4.354 13.994 3.383 1.00 0.00 C ATOM 733 CE LYS A 48 -5.045 15.330 3.606 1.00 0.00 C ATOM 734 NZ LYS A 48 -4.782 15.874 4.967 1.00 0.00 N ATOM 0 H LYS A 48 -0.890 12.707 -0.206 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.529 14.016 -0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.052 13.311 1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.458 15.014 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.857 14.304 1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.373 12.663 1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.948 13.197 3.830 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.389 13.994 3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.703 16.045 2.858 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.119 15.211 3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.271 16.785 5.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.132 15.205 5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.759 16.013 5.094 1.00 0.00 H new ATOM 748 N SER A 49 -2.346 16.402 -0.347 1.00 0.00 N ATOM 749 CA SER A 49 -1.695 17.647 -0.752 1.00 0.00 C ATOM 750 C SER A 49 -1.620 17.742 -2.277 1.00 0.00 C ATOM 751 O SER A 49 -2.386 17.082 -2.980 1.00 0.00 O ATOM 752 CB SER A 49 -0.292 17.739 -0.144 1.00 0.00 C ATOM 753 OG SER A 49 0.142 19.086 -0.061 1.00 0.00 O ATOM 0 H SER A 49 -3.270 16.524 0.066 1.00 0.00 H new ATOM 0 HA SER A 49 -2.290 18.482 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.293 17.292 0.850 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.409 17.165 -0.750 1.00 0.00 H new ATOM 0 HG SER A 49 1.039 19.117 0.332 1.00 0.00 H new ATOM 759 N TRP A 50 -0.695 18.559 -2.785 1.00 0.00 N ATOM 760 CA TRP A 50 -0.527 18.729 -4.230 1.00 0.00 C ATOM 761 C TRP A 50 -0.567 17.379 -4.942 1.00 0.00 C ATOM 762 O TRP A 50 -1.244 17.218 -5.958 1.00 0.00 O ATOM 763 CB TRP A 50 0.794 19.438 -4.533 1.00 0.00 C ATOM 764 CG TRP A 50 1.992 18.717 -3.995 1.00 0.00 C ATOM 765 CD1 TRP A 50 2.413 18.684 -2.697 1.00 0.00 C ATOM 766 CD2 TRP A 50 2.923 17.925 -4.740 1.00 0.00 C ATOM 767 NE1 TRP A 50 3.550 17.920 -2.589 1.00 0.00 N ATOM 768 CE2 TRP A 50 3.882 17.443 -3.830 1.00 0.00 C ATOM 769 CE3 TRP A 50 3.039 17.575 -6.089 1.00 0.00 C ATOM 770 CZ2 TRP A 50 4.942 16.631 -4.225 1.00 0.00 C ATOM 771 CZ3 TRP A 50 4.092 16.769 -6.480 1.00 0.00 C ATOM 772 CH2 TRP A 50 5.030 16.304 -5.551 1.00 0.00 C ATOM 0 H TRP A 50 -0.052 19.112 -2.219 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.351 19.341 -4.597 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.900 19.548 -5.612 1.00 0.00 H new ATOM 0 HB3 TRP A 50 0.764 20.443 -4.111 1.00 0.00 H new ATOM 0 HD1 TRP A 50 1.924 19.185 -1.875 1.00 0.00 H new ATOM 0 HE1 TRP A 50 4.063 17.738 -1.726 1.00 0.00 H new ATOM 0 HE3 TRP A 50 2.319 17.928 -6.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 5.668 16.272 -3.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 4.192 16.494 -7.519 1.00 0.00 H new ATOM 0 HH2 TRP A 50 5.840 15.674 -5.888 1.00 0.00 H new ATOM 783 N CYS A 51 0.151 16.411 -4.385 1.00 0.00 N ATOM 784 CA CYS A 51 0.193 15.064 -4.939 1.00 0.00 C ATOM 785 C CYS A 51 0.801 15.036 -6.339 1.00 0.00 C ATOM 786 O CYS A 51 0.290 15.668 -7.264 1.00 0.00 O ATOM 787 CB CYS A 51 -1.217 14.467 -4.980 1.00 0.00 C ATOM 788 SG CYS A 51 -1.301 12.799 -5.715 1.00 0.00 S ATOM 0 H CYS A 51 0.715 16.536 -3.545 1.00 0.00 H new ATOM 0 HA CYS A 51 0.830 14.467 -4.287 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.611 14.425 -3.965 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.866 15.135 -5.547 1.00 0.00 H new ATOM 793 N GLY A 52 1.875 14.269 -6.488 1.00 0.00 N ATOM 794 CA GLY A 52 2.525 14.129 -7.777 1.00 0.00 C ATOM 795 C GLY A 52 2.381 12.718 -8.301 1.00 0.00 C ATOM 796 O GLY A 52 2.223 12.503 -9.502 1.00 0.00 O ATOM 0 H GLY A 52 2.309 13.738 -5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.089 14.832 -8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.581 14.382 -7.686 1.00 0.00 H new ATOM 800 N ALA A 53 2.416 11.755 -7.383 1.00 0.00 N ATOM 801 CA ALA A 53 2.269 10.351 -7.736 1.00 0.00 C ATOM 802 C ALA A 53 1.016 10.142 -8.551 1.00 0.00 C ATOM 803 O ALA A 53 0.963 9.268 -9.412 1.00 0.00 O ATOM 804 CB ALA A 53 2.243 9.490 -6.484 1.00 0.00 C ATOM 0 H ALA A 53 2.546 11.926 -6.386 1.00 0.00 H new ATOM 0 HA ALA A 53 3.126 10.053 -8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.133 8.443 -6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.174 9.622 -5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.404 9.787 -5.855 1.00 0.00 H new ATOM 810 N CYS A 54 0.014 10.957 -8.286 1.00 0.00 N ATOM 811 CA CYS A 54 -1.226 10.857 -9.015 1.00 0.00 C ATOM 812 C CYS A 54 -1.110 11.581 -10.351 1.00 0.00 C ATOM 813 O CYS A 54 -1.762 11.212 -11.329 1.00 0.00 O ATOM 814 CB CYS A 54 -2.389 11.425 -8.196 1.00 0.00 C ATOM 815 SG CYS A 54 -2.098 13.110 -7.557 1.00 0.00 S ATOM 0 H CYS A 54 0.037 11.689 -7.576 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.430 9.803 -9.203 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.286 11.433 -8.816 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.587 10.759 -7.356 1.00 0.00 H new ATOM 820 N LYS A 55 -0.261 12.602 -10.388 1.00 0.00 N ATOM 821 CA LYS A 55 -0.044 13.368 -11.605 1.00 0.00 C ATOM 822 C LYS A 55 0.705 12.527 -12.631 1.00 0.00 C ATOM 823 O LYS A 55 0.318 12.468 -13.798 1.00 0.00 O ATOM 824 CB LYS A 55 0.731 14.649 -11.301 1.00 0.00 C ATOM 825 CG LYS A 55 -0.160 15.869 -11.137 1.00 0.00 C ATOM 826 CD LYS A 55 0.610 17.048 -10.562 1.00 0.00 C ATOM 827 CE LYS A 55 -0.256 17.885 -9.635 1.00 0.00 C ATOM 828 NZ LYS A 55 -0.596 19.205 -10.235 1.00 0.00 N ATOM 0 H LYS A 55 0.287 12.917 -9.588 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.014 13.642 -12.019 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.311 14.506 -10.389 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.443 14.834 -12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.582 16.145 -12.103 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.996 15.625 -10.482 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.480 16.683 -10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.982 17.672 -11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.174 17.343 -9.407 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.266 18.039 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.187 19.746 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.278 19.734 -10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.117 19.059 -11.123 1.00 0.00 H new ATOM 842 N ALA A 56 1.772 11.861 -12.190 1.00 0.00 N ATOM 843 CA ALA A 56 2.552 11.015 -13.086 1.00 0.00 C ATOM 844 C ALA A 56 1.786 9.739 -13.407 1.00 0.00 C ATOM 845 O ALA A 56 1.863 9.219 -14.519 1.00 0.00 O ATOM 846 CB ALA A 56 3.902 10.687 -12.466 1.00 0.00 C ATOM 0 H ALA A 56 2.111 11.891 -11.229 1.00 0.00 H new ATOM 0 HA ALA A 56 2.725 11.558 -14.015 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.471 10.055 -13.147 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.452 11.610 -12.282 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.751 10.161 -11.524 1.00 0.00 H new ATOM 852 N LEU A 57 1.041 9.247 -12.423 1.00 0.00 N ATOM 853 CA LEU A 57 0.249 8.034 -12.583 1.00 0.00 C ATOM 854 C LEU A 57 -0.721 8.153 -13.756 1.00 0.00 C ATOM 855 O LEU A 57 -1.037 7.172 -14.420 1.00 0.00 O ATOM 856 CB LEU A 57 -0.534 7.749 -11.293 1.00 0.00 C ATOM 857 CG LEU A 57 0.112 6.748 -10.327 1.00 0.00 C ATOM 858 CD1 LEU A 57 1.633 6.834 -10.378 1.00 0.00 C ATOM 859 CD2 LEU A 57 -0.396 6.979 -8.910 1.00 0.00 C ATOM 0 H LEU A 57 0.969 9.674 -11.499 1.00 0.00 H new ATOM 0 HA LEU A 57 0.933 7.211 -12.789 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.682 8.691 -10.765 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.522 7.377 -11.565 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.172 5.743 -10.639 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.062 6.113 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.976 6.612 -11.388 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.950 7.839 -10.100 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.071 6.262 -8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.145 7.991 -8.594 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.478 6.849 -8.886 1.00 0.00 H new ATOM 871 N LYS A 58 -1.212 9.357 -13.998 1.00 0.00 N ATOM 872 CA LYS A 58 -2.163 9.578 -15.080 1.00 0.00 C ATOM 873 C LYS A 58 -1.724 8.902 -16.396 1.00 0.00 C ATOM 874 O LYS A 58 -2.326 7.908 -16.809 1.00 0.00 O ATOM 875 CB LYS A 58 -2.406 11.080 -15.270 1.00 0.00 C ATOM 876 CG LYS A 58 -3.114 11.734 -14.094 1.00 0.00 C ATOM 877 CD LYS A 58 -4.597 11.931 -14.363 1.00 0.00 C ATOM 878 CE LYS A 58 -4.836 12.807 -15.583 1.00 0.00 C ATOM 879 NZ LYS A 58 -5.636 14.017 -15.248 1.00 0.00 N ATOM 0 H LYS A 58 -0.971 10.193 -13.465 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.104 9.107 -14.797 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.449 11.577 -15.430 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.999 11.233 -16.172 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.985 11.117 -13.204 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.652 12.698 -13.883 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.072 10.961 -14.513 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.068 12.385 -13.491 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.878 13.110 -16.006 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.354 12.230 -16.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.777 14.588 -16.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.560 13.728 -14.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.130 14.581 -14.536 1.00 0.00 H new ATOM 893 N PRO A 59 -0.680 9.419 -17.080 1.00 0.00 N ATOM 894 CA PRO A 59 -0.210 8.848 -18.353 1.00 0.00 C ATOM 895 C PRO A 59 0.642 7.589 -18.204 1.00 0.00 C ATOM 896 O PRO A 59 0.796 6.828 -19.160 1.00 0.00 O ATOM 897 CB PRO A 59 0.636 9.975 -18.932 1.00 0.00 C ATOM 898 CG PRO A 59 1.204 10.644 -17.733 1.00 0.00 C ATOM 899 CD PRO A 59 0.119 10.597 -16.692 1.00 0.00 C ATOM 0 HA PRO A 59 -1.050 8.527 -18.969 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.420 9.592 -19.585 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.034 10.662 -19.526 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.102 10.132 -17.387 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.489 11.672 -17.956 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.530 10.490 -15.688 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.480 11.507 -16.696 1.00 0.00 H new ATOM 907 N LYS A 60 1.209 7.369 -17.024 1.00 0.00 N ATOM 908 CA LYS A 60 2.054 6.196 -16.808 1.00 0.00 C ATOM 909 C LYS A 60 1.280 5.075 -16.129 1.00 0.00 C ATOM 910 O LYS A 60 1.286 3.940 -16.601 1.00 0.00 O ATOM 911 CB LYS A 60 3.290 6.559 -15.986 1.00 0.00 C ATOM 912 CG LYS A 60 3.006 6.721 -14.506 1.00 0.00 C ATOM 913 CD LYS A 60 4.025 7.631 -13.835 1.00 0.00 C ATOM 914 CE LYS A 60 5.448 7.122 -14.026 1.00 0.00 C ATOM 915 NZ LYS A 60 6.425 8.239 -14.169 1.00 0.00 N ATOM 0 H LYS A 60 1.103 7.976 -16.211 1.00 0.00 H new ATOM 0 HA LYS A 60 2.379 5.841 -17.786 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.046 5.785 -16.120 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.712 7.487 -16.371 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.006 7.132 -14.370 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.017 5.744 -14.024 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.940 8.637 -14.246 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.804 7.702 -12.770 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.729 6.501 -13.175 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.491 6.487 -14.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.381 7.850 -14.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.173 8.817 -14.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.404 8.831 -13.314 1.00 0.00 H new ATOM 929 N PHE A 61 0.598 5.391 -15.033 1.00 0.00 N ATOM 930 CA PHE A 61 -0.183 4.391 -14.334 1.00 0.00 C ATOM 931 C PHE A 61 -1.289 3.903 -15.247 1.00 0.00 C ATOM 932 O PHE A 61 -1.759 2.775 -15.117 1.00 0.00 O ATOM 933 CB PHE A 61 -0.741 4.929 -13.025 1.00 0.00 C ATOM 934 CG PHE A 61 -1.354 3.861 -12.167 1.00 0.00 C ATOM 935 CD1 PHE A 61 -2.553 3.272 -12.528 1.00 0.00 C ATOM 936 CD2 PHE A 61 -0.727 3.440 -11.006 1.00 0.00 C ATOM 937 CE1 PHE A 61 -3.119 2.284 -11.745 1.00 0.00 C ATOM 938 CE2 PHE A 61 -1.287 2.454 -10.219 1.00 0.00 C ATOM 939 CZ PHE A 61 -2.485 1.875 -10.587 1.00 0.00 C ATOM 0 H PHE A 61 0.573 6.322 -14.617 1.00 0.00 H new ATOM 0 HA PHE A 61 0.464 3.554 -14.073 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.059 5.419 -12.470 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.492 5.689 -13.241 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.052 3.588 -13.432 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.211 3.888 -10.713 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.055 1.832 -12.037 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.788 2.136 -9.316 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.926 1.105 -9.972 1.00 0.00 H new ATOM 949 N ALA A 62 -1.659 4.736 -16.227 1.00 0.00 N ATOM 950 CA ALA A 62 -2.654 4.333 -17.203 1.00 0.00 C ATOM 951 C ALA A 62 -2.147 3.080 -17.922 1.00 0.00 C ATOM 952 O ALA A 62 -2.912 2.323 -18.520 1.00 0.00 O ATOM 953 CB ALA A 62 -2.918 5.462 -18.189 1.00 0.00 C ATOM 0 H ALA A 62 -1.286 5.676 -16.357 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.597 4.108 -16.706 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.667 5.144 -18.915 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.283 6.337 -17.651 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.994 5.715 -18.709 1.00 0.00 H new ATOM 959 N GLU A 63 -0.829 2.873 -17.816 1.00 0.00 N ATOM 960 CA GLU A 63 -0.142 1.726 -18.391 1.00 0.00 C ATOM 961 C GLU A 63 -0.373 0.490 -17.535 1.00 0.00 C ATOM 962 O GLU A 63 -0.117 -0.637 -17.962 1.00 0.00 O ATOM 963 CB GLU A 63 1.356 2.029 -18.491 1.00 0.00 C ATOM 964 CG GLU A 63 2.106 1.100 -19.434 1.00 0.00 C ATOM 965 CD GLU A 63 2.772 1.841 -20.577 1.00 0.00 C ATOM 966 OE1 GLU A 63 2.070 2.179 -21.554 1.00 0.00 O ATOM 967 OE2 GLU A 63 3.994 2.084 -20.496 1.00 0.00 O ATOM 0 H GLU A 63 -0.207 3.511 -17.320 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.538 1.532 -19.388 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.488 3.057 -18.827 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.799 1.959 -17.498 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.862 0.552 -18.872 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.413 0.363 -19.839 1.00 0.00 H new ATOM 974 N SER A 64 -0.872 0.714 -16.325 1.00 0.00 N ATOM 975 CA SER A 64 -1.159 -0.357 -15.393 1.00 0.00 C ATOM 976 C SER A 64 -2.166 -1.352 -15.964 1.00 0.00 C ATOM 977 O SER A 64 -2.559 -2.292 -15.276 1.00 0.00 O ATOM 978 CB SER A 64 -1.699 0.228 -14.095 1.00 0.00 C ATOM 979 OG SER A 64 -0.703 0.968 -13.413 1.00 0.00 O ATOM 0 H SER A 64 -1.087 1.645 -15.967 1.00 0.00 H new ATOM 0 HA SER A 64 -0.229 -0.894 -15.205 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.551 0.873 -14.310 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.061 -0.576 -13.454 1.00 0.00 H new ATOM 0 HG SER A 64 -1.109 1.757 -12.998 1.00 0.00 H new ATOM 985 N THR A 65 -2.579 -1.167 -17.221 1.00 0.00 N ATOM 986 CA THR A 65 -3.519 -2.089 -17.846 1.00 0.00 C ATOM 987 C THR A 65 -3.051 -3.514 -17.599 1.00 0.00 C ATOM 988 O THR A 65 -3.851 -4.414 -17.341 1.00 0.00 O ATOM 989 CB THR A 65 -3.623 -1.821 -19.347 1.00 0.00 C ATOM 990 OG1 THR A 65 -3.333 -0.466 -19.637 1.00 0.00 O ATOM 991 CG2 THR A 65 -4.989 -2.131 -19.915 1.00 0.00 C ATOM 0 H THR A 65 -2.279 -0.395 -17.817 1.00 0.00 H new ATOM 0 HA THR A 65 -4.507 -1.944 -17.409 1.00 0.00 H new ATOM 0 HB THR A 65 -2.895 -2.487 -19.810 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.404 -0.316 -20.603 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.995 -1.919 -20.984 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.220 -3.184 -19.752 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.738 -1.514 -19.419 1.00 0.00 H new ATOM 999 N GLU A 66 -1.734 -3.693 -17.635 1.00 0.00 N ATOM 1000 CA GLU A 66 -1.134 -4.988 -17.371 1.00 0.00 C ATOM 1001 C GLU A 66 -1.086 -5.215 -15.873 1.00 0.00 C ATOM 1002 O GLU A 66 -1.219 -6.341 -15.399 1.00 0.00 O ATOM 1003 CB GLU A 66 0.271 -5.076 -17.970 1.00 0.00 C ATOM 1004 CG GLU A 66 0.617 -6.459 -18.491 1.00 0.00 C ATOM 1005 CD GLU A 66 1.929 -6.981 -17.938 1.00 0.00 C ATOM 1006 OE1 GLU A 66 2.988 -6.422 -18.292 1.00 0.00 O ATOM 1007 OE2 GLU A 66 1.898 -7.949 -17.147 1.00 0.00 O ATOM 0 H GLU A 66 -1.064 -2.953 -17.845 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.741 -5.763 -17.840 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.357 -4.357 -18.785 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.000 -4.788 -17.212 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.183 -7.152 -18.231 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.672 -6.430 -19.579 1.00 0.00 H new ATOM 1014 N ILE A 67 -0.934 -4.126 -15.125 1.00 0.00 N ATOM 1015 CA ILE A 67 -0.920 -4.218 -13.677 1.00 0.00 C ATOM 1016 C ILE A 67 -2.320 -4.555 -13.170 1.00 0.00 C ATOM 1017 O ILE A 67 -2.496 -4.954 -12.019 1.00 0.00 O ATOM 1018 CB ILE A 67 -0.432 -2.906 -13.028 1.00 0.00 C ATOM 1019 CG1 ILE A 67 0.951 -2.532 -13.564 1.00 0.00 C ATOM 1020 CG2 ILE A 67 -0.400 -3.034 -11.512 1.00 0.00 C ATOM 1021 CD1 ILE A 67 1.491 -1.240 -12.990 1.00 0.00 C ATOM 0 H ILE A 67 -0.820 -3.183 -15.496 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.224 -5.009 -13.397 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.133 -2.112 -13.287 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.649 -3.339 -13.341 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.900 -2.445 -14.649 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.053 -2.098 -11.075 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.402 -3.257 -11.144 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.278 -3.839 -11.229 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.474 -1.037 -13.414 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.814 -0.422 -13.235 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.574 -1.330 -11.907 1.00 0.00 H new ATOM 1033 N SER A 68 -3.312 -4.406 -14.050 1.00 0.00 N ATOM 1034 CA SER A 68 -4.691 -4.710 -13.702 1.00 0.00 C ATOM 1035 C SER A 68 -4.872 -6.214 -13.527 1.00 0.00 C ATOM 1036 O SER A 68 -5.767 -6.662 -12.811 1.00 0.00 O ATOM 1037 CB SER A 68 -5.643 -4.187 -14.782 1.00 0.00 C ATOM 1038 OG SER A 68 -6.661 -3.378 -14.218 1.00 0.00 O ATOM 0 H SER A 68 -3.181 -4.077 -15.006 1.00 0.00 H new ATOM 0 HA SER A 68 -4.927 -4.215 -12.760 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.082 -3.610 -15.517 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.093 -5.027 -15.312 1.00 0.00 H new ATOM 0 HG SER A 68 -7.538 -3.715 -14.496 1.00 0.00 H new ATOM 1044 N GLU A 69 -4.002 -6.987 -14.176 1.00 0.00 N ATOM 1045 CA GLU A 69 -4.059 -8.439 -14.077 1.00 0.00 C ATOM 1046 C GLU A 69 -3.061 -8.937 -13.040 1.00 0.00 C ATOM 1047 O GLU A 69 -3.360 -9.838 -12.258 1.00 0.00 O ATOM 1048 CB GLU A 69 -3.799 -9.108 -15.431 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.806 -8.366 -16.308 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.705 -8.957 -17.702 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -3.516 -8.572 -18.570 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -1.816 -9.806 -17.923 1.00 0.00 O ATOM 0 H GLU A 69 -3.254 -6.632 -14.772 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.066 -8.711 -13.762 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.431 -10.120 -15.260 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.744 -9.199 -15.967 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.102 -7.320 -16.381 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.824 -8.387 -15.836 1.00 0.00 H new ATOM 1059 N LEU A 70 -1.877 -8.329 -13.028 1.00 0.00 N ATOM 1060 CA LEU A 70 -0.841 -8.702 -12.069 1.00 0.00 C ATOM 1061 C LEU A 70 -1.374 -8.586 -10.648 1.00 0.00 C ATOM 1062 O LEU A 70 -1.003 -9.357 -9.766 1.00 0.00 O ATOM 1063 CB LEU A 70 0.381 -7.796 -12.223 1.00 0.00 C ATOM 1064 CG LEU A 70 1.486 -8.335 -13.132 1.00 0.00 C ATOM 1065 CD1 LEU A 70 2.003 -7.226 -14.030 1.00 0.00 C ATOM 1066 CD2 LEU A 70 2.621 -8.925 -12.306 1.00 0.00 C ATOM 0 H LEU A 70 -1.612 -7.580 -13.668 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.550 -9.734 -12.266 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.051 -6.833 -12.612 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.803 -7.613 -11.235 1.00 0.00 H new ATOM 0 HG LEU A 70 1.072 -9.128 -13.754 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.790 -7.617 -14.675 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.187 -6.845 -14.644 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.404 -6.419 -13.417 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.397 -9.303 -12.972 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.041 -8.153 -11.661 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.239 -9.742 -11.694 1.00 0.00 H new ATOM 1078 N SER A 71 -2.251 -7.607 -10.440 1.00 0.00 N ATOM 1079 CA SER A 71 -2.847 -7.353 -9.128 1.00 0.00 C ATOM 1080 C SER A 71 -3.295 -8.635 -8.431 1.00 0.00 C ATOM 1081 O SER A 71 -3.435 -8.663 -7.213 1.00 0.00 O ATOM 1082 CB SER A 71 -4.045 -6.423 -9.269 1.00 0.00 C ATOM 1083 OG SER A 71 -3.861 -5.233 -8.523 1.00 0.00 O ATOM 0 H SER A 71 -2.568 -6.970 -11.171 1.00 0.00 H new ATOM 0 HA SER A 71 -2.073 -6.890 -8.516 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.196 -6.177 -10.320 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.946 -6.933 -8.929 1.00 0.00 H new ATOM 0 HG SER A 71 -4.644 -4.654 -8.633 1.00 0.00 H new ATOM 1089 N HIS A 72 -3.498 -9.700 -9.193 1.00 0.00 N ATOM 1090 CA HIS A 72 -3.903 -10.977 -8.619 1.00 0.00 C ATOM 1091 C HIS A 72 -2.866 -11.443 -7.599 1.00 0.00 C ATOM 1092 O HIS A 72 -3.110 -12.360 -6.817 1.00 0.00 O ATOM 1093 CB HIS A 72 -4.080 -12.028 -9.715 1.00 0.00 C ATOM 1094 CG HIS A 72 -5.485 -12.124 -10.225 1.00 0.00 C ATOM 1095 ND1 HIS A 72 -6.526 -12.624 -9.471 1.00 0.00 N ATOM 1096 CD2 HIS A 72 -6.021 -11.775 -11.419 1.00 0.00 C ATOM 1097 CE1 HIS A 72 -7.641 -12.580 -10.180 1.00 0.00 C ATOM 1098 NE2 HIS A 72 -7.361 -12.069 -11.365 1.00 0.00 N ATOM 0 H HIS A 72 -3.390 -9.707 -10.207 1.00 0.00 H new ATOM 0 HA HIS A 72 -4.860 -10.845 -8.115 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.415 -11.792 -10.546 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.774 -13.000 -9.329 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.493 -11.345 -12.257 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.615 -12.906 -9.847 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -8.032 -11.917 -12.118 1.00 0.00 H new ATOM 1107 N ASN A 73 -1.703 -10.797 -7.630 1.00 0.00 N ATOM 1108 CA ASN A 73 -0.608 -11.124 -6.731 1.00 0.00 C ATOM 1109 C ASN A 73 -0.912 -10.677 -5.300 1.00 0.00 C ATOM 1110 O ASN A 73 -0.364 -11.221 -4.341 1.00 0.00 O ATOM 1111 CB ASN A 73 0.675 -10.459 -7.231 1.00 0.00 C ATOM 1112 CG ASN A 73 0.481 -8.988 -7.544 1.00 0.00 C ATOM 1113 OD1 ASN A 73 -0.145 -8.259 -6.777 1.00 0.00 O ATOM 1114 ND2 ASN A 73 1.014 -8.539 -8.678 1.00 0.00 N ATOM 0 H ASN A 73 -1.497 -10.036 -8.277 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.480 -12.206 -6.720 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.455 -10.567 -6.477 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.023 -10.975 -8.126 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.910 -7.558 -8.937 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.527 -9.176 -9.288 1.00 0.00 H new ATOM 1121 N PHE A 74 -1.788 -9.685 -5.167 1.00 0.00 N ATOM 1122 CA PHE A 74 -2.173 -9.158 -3.873 1.00 0.00 C ATOM 1123 C PHE A 74 -3.190 -8.022 -4.028 1.00 0.00 C ATOM 1124 O PHE A 74 -3.742 -7.823 -5.107 1.00 0.00 O ATOM 1125 CB PHE A 74 -0.937 -8.693 -3.115 1.00 0.00 C ATOM 1126 CG PHE A 74 0.028 -7.907 -3.948 1.00 0.00 C ATOM 1127 CD1 PHE A 74 -0.367 -6.734 -4.560 1.00 0.00 C ATOM 1128 CD2 PHE A 74 1.329 -8.346 -4.116 1.00 0.00 C ATOM 1129 CE1 PHE A 74 0.520 -6.010 -5.332 1.00 0.00 C ATOM 1130 CE2 PHE A 74 2.221 -7.628 -4.886 1.00 0.00 C ATOM 1131 CZ PHE A 74 1.815 -6.459 -5.494 1.00 0.00 C ATOM 0 H PHE A 74 -2.247 -9.228 -5.955 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.653 -9.950 -3.298 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.251 -8.083 -2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.424 -9.564 -2.708 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.379 -6.379 -4.434 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.650 -9.260 -3.639 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.201 -5.094 -5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.234 -7.981 -5.012 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.511 -5.894 -6.097 1.00 0.00 H new ATOM 1141 N VAL A 75 -3.446 -7.284 -2.953 1.00 0.00 N ATOM 1142 CA VAL A 75 -4.408 -6.186 -3.003 1.00 0.00 C ATOM 1143 C VAL A 75 -3.916 -5.000 -2.182 1.00 0.00 C ATOM 1144 O VAL A 75 -3.289 -5.182 -1.143 1.00 0.00 O ATOM 1145 CB VAL A 75 -5.788 -6.631 -2.478 1.00 0.00 C ATOM 1146 CG1 VAL A 75 -5.678 -7.133 -1.046 1.00 0.00 C ATOM 1147 CG2 VAL A 75 -6.794 -5.493 -2.577 1.00 0.00 C ATOM 0 H VAL A 75 -3.006 -7.423 -2.043 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.507 -5.887 -4.046 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.144 -7.452 -3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.661 -7.443 -0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.995 -7.982 -1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.298 -6.334 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.761 -5.828 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.447 -4.648 -1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.896 -5.187 -3.618 1.00 0.00 H new ATOM 1157 N MET A 76 -4.175 -3.779 -2.645 1.00 0.00 N ATOM 1158 CA MET A 76 -3.718 -2.609 -1.923 1.00 0.00 C ATOM 1159 C MET A 76 -4.876 -1.707 -1.504 1.00 0.00 C ATOM 1160 O MET A 76 -6.053 -2.068 -1.653 1.00 0.00 O ATOM 1161 CB MET A 76 -2.699 -1.851 -2.766 1.00 0.00 C ATOM 1162 CG MET A 76 -2.600 -2.357 -4.201 1.00 0.00 C ATOM 1163 SD MET A 76 -1.610 -3.848 -4.361 1.00 0.00 S ATOM 1164 CE MET A 76 -2.321 -4.563 -5.842 1.00 0.00 C ATOM 0 H MET A 76 -4.691 -3.582 -3.503 1.00 0.00 H new ATOM 0 HA MET A 76 -3.238 -2.941 -1.003 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.965 -0.794 -2.779 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.720 -1.928 -2.294 1.00 0.00 H new ATOM 0 HG2 MET A 76 -3.603 -2.553 -4.580 1.00 0.00 H new ATOM 0 HG3 MET A 76 -2.170 -1.575 -4.826 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.728 -5.548 -5.612 1.00 0.00 H new ATOM 0 HE2 MET A 76 -3.119 -3.918 -6.211 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.550 -4.659 -6.606 1.00 0.00 H new ATOM 1174 N VAL A 77 -4.534 -0.554 -0.929 1.00 0.00 N ATOM 1175 CA VAL A 77 -5.540 0.373 -0.430 1.00 0.00 C ATOM 1176 C VAL A 77 -5.130 1.838 -0.606 1.00 0.00 C ATOM 1177 O VAL A 77 -4.005 2.227 -0.289 1.00 0.00 O ATOM 1178 CB VAL A 77 -5.804 0.061 1.060 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -6.127 1.304 1.880 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -6.906 -0.976 1.179 1.00 0.00 C ATOM 0 H VAL A 77 -3.571 -0.244 -0.799 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.449 0.237 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.881 -0.341 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.302 1.020 2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.290 2.000 1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.020 1.783 1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.089 -1.193 2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.819 -0.591 0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.603 -1.889 0.667 1.00 0.00 H new ATOM 1190 N ASN A 78 -6.066 2.643 -1.111 1.00 0.00 N ATOM 1191 CA ASN A 78 -5.837 4.064 -1.334 1.00 0.00 C ATOM 1192 C ASN A 78 -6.564 4.920 -0.307 1.00 0.00 C ATOM 1193 O ASN A 78 -7.794 4.959 -0.277 1.00 0.00 O ATOM 1194 CB ASN A 78 -6.317 4.465 -2.723 1.00 0.00 C ATOM 1195 CG ASN A 78 -5.584 5.675 -3.271 1.00 0.00 C ATOM 1196 OD1 ASN A 78 -6.202 6.610 -3.781 1.00 0.00 O ATOM 1197 ND2 ASN A 78 -4.262 5.664 -3.168 1.00 0.00 N ATOM 0 H ASN A 78 -6.999 2.326 -1.375 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.764 4.233 -1.239 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.184 3.625 -3.405 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.385 4.679 -2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.717 6.451 -3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.791 4.868 -2.738 1.00 0.00 H new ATOM 1204 N LEU A 79 -5.801 5.630 0.509 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.386 6.515 1.509 1.00 0.00 C ATOM 1206 C LEU A 79 -6.154 7.976 1.121 1.00 0.00 C ATOM 1207 O LEU A 79 -5.202 8.297 0.400 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.811 6.227 2.900 1.00 0.00 C ATOM 1209 CG LEU A 79 -5.747 4.748 3.281 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -4.967 4.563 4.573 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -7.150 4.173 3.414 1.00 0.00 C ATOM 0 H LEU A 79 -4.781 5.613 0.501 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.459 6.330 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.805 6.644 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.414 6.752 3.641 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.228 4.209 2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.932 3.504 4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.952 4.938 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.457 5.114 5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.087 3.119 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.694 4.715 4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.675 4.272 2.464 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.031 8.857 1.592 1.00 0.00 N ATOM 1224 CA GLU A 80 -6.922 10.278 1.282 1.00 0.00 C ATOM 1225 C GLU A 80 -7.504 11.131 2.406 1.00 0.00 C ATOM 1226 O GLU A 80 -7.815 10.625 3.485 1.00 0.00 O ATOM 1227 CB GLU A 80 -7.636 10.591 -0.035 1.00 0.00 C ATOM 1228 CG GLU A 80 -6.833 11.489 -0.964 1.00 0.00 C ATOM 1229 CD GLU A 80 -7.705 12.206 -1.975 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -8.387 11.520 -2.765 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -7.707 13.456 -1.978 1.00 0.00 O ATOM 0 H GLU A 80 -7.822 8.613 2.188 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.864 10.520 1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.858 9.656 -0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.591 11.069 0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.289 12.225 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.090 10.890 -1.490 1.00 0.00 H new ATOM 1238 N ASP A 81 -7.648 12.426 2.145 1.00 0.00 N ATOM 1239 CA ASP A 81 -8.193 13.353 3.132 1.00 0.00 C ATOM 1240 C ASP A 81 -9.521 12.847 3.687 1.00 0.00 C ATOM 1241 O ASP A 81 -9.850 13.081 4.849 1.00 0.00 O ATOM 1242 CB ASP A 81 -8.381 14.738 2.512 1.00 0.00 C ATOM 1243 CG ASP A 81 -8.645 15.807 3.554 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -9.561 15.615 4.382 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -7.936 16.835 3.544 1.00 0.00 O ATOM 0 H ASP A 81 -7.395 12.859 1.257 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.482 13.423 3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.490 15.002 1.942 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.212 14.708 1.808 1.00 0.00 H new ATOM 1250 N GLU A 82 -10.280 12.149 2.847 1.00 0.00 N ATOM 1251 CA GLU A 82 -11.570 11.608 3.255 1.00 0.00 C ATOM 1252 C GLU A 82 -11.392 10.519 4.308 1.00 0.00 C ATOM 1253 O GLU A 82 -11.986 10.578 5.384 1.00 0.00 O ATOM 1254 CB GLU A 82 -12.319 11.045 2.044 1.00 0.00 C ATOM 1255 CG GLU A 82 -12.908 12.116 1.141 1.00 0.00 C ATOM 1256 CD GLU A 82 -13.951 11.567 0.189 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -15.047 11.194 0.659 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -13.671 11.507 -1.027 1.00 0.00 O ATOM 0 H GLU A 82 -10.023 11.946 1.881 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.155 12.419 3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -11.637 10.425 1.462 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.121 10.395 2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -13.357 12.897 1.755 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.107 12.583 0.567 1.00 0.00 H new ATOM 1265 N GLU A 83 -10.565 9.528 3.991 1.00 0.00 N ATOM 1266 CA GLU A 83 -10.303 8.426 4.909 1.00 0.00 C ATOM 1267 C GLU A 83 -9.439 8.889 6.077 1.00 0.00 C ATOM 1268 O GLU A 83 -8.281 9.265 5.894 1.00 0.00 O ATOM 1269 CB GLU A 83 -9.614 7.274 4.174 1.00 0.00 C ATOM 1270 CG GLU A 83 -10.500 6.590 3.148 1.00 0.00 C ATOM 1271 CD GLU A 83 -10.031 5.187 2.819 1.00 0.00 C ATOM 1272 OE1 GLU A 83 -10.135 4.305 3.697 1.00 0.00 O ATOM 1273 OE2 GLU A 83 -9.559 4.970 1.682 1.00 0.00 O ATOM 0 H GLU A 83 -10.064 9.466 3.104 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.258 8.076 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.722 7.654 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.281 6.536 4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.522 6.549 3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.521 7.186 2.236 1.00 0.00 H new ATOM 1280 N GLU A 84 -10.008 8.861 7.277 1.00 0.00 N ATOM 1281 CA GLU A 84 -9.288 9.280 8.474 1.00 0.00 C ATOM 1282 C GLU A 84 -8.927 8.079 9.342 1.00 0.00 C ATOM 1283 O GLU A 84 -9.631 7.761 10.301 1.00 0.00 O ATOM 1284 CB GLU A 84 -10.127 10.274 9.279 1.00 0.00 C ATOM 1285 CG GLU A 84 -9.301 11.338 9.982 1.00 0.00 C ATOM 1286 CD GLU A 84 -10.108 12.125 10.997 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -10.696 11.498 11.904 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -10.150 13.368 10.886 1.00 0.00 O ATOM 0 H GLU A 84 -10.965 8.553 7.447 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.365 9.767 8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.838 10.760 8.612 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.709 9.728 10.022 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.456 10.865 10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.890 12.023 9.240 1.00 0.00 H new ATOM 1295 N PRO A 85 -7.819 7.390 9.015 1.00 0.00 N ATOM 1296 CA PRO A 85 -7.366 6.219 9.771 1.00 0.00 C ATOM 1297 C PRO A 85 -6.790 6.594 11.131 1.00 0.00 C ATOM 1298 O PRO A 85 -6.850 5.813 12.080 1.00 0.00 O ATOM 1299 CB PRO A 85 -6.280 5.621 8.877 1.00 0.00 C ATOM 1300 CG PRO A 85 -5.752 6.780 8.103 1.00 0.00 C ATOM 1301 CD PRO A 85 -6.922 7.702 7.887 1.00 0.00 C ATOM 0 HA PRO A 85 -8.184 5.533 9.990 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.496 5.148 9.468 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.687 4.855 8.217 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.954 7.283 8.649 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.331 6.455 7.152 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.616 8.748 7.895 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.405 7.519 6.927 1.00 0.00 H new ATOM 1309 N LYS A 86 -6.231 7.797 11.218 1.00 0.00 N ATOM 1310 CA LYS A 86 -5.641 8.280 12.463 1.00 0.00 C ATOM 1311 C LYS A 86 -4.545 7.334 12.949 1.00 0.00 C ATOM 1312 O LYS A 86 -4.730 6.592 13.913 1.00 0.00 O ATOM 1313 CB LYS A 86 -6.724 8.438 13.535 1.00 0.00 C ATOM 1314 CG LYS A 86 -6.847 9.856 14.069 1.00 0.00 C ATOM 1315 CD LYS A 86 -8.085 10.553 13.529 1.00 0.00 C ATOM 1316 CE LYS A 86 -7.997 12.061 13.701 1.00 0.00 C ATOM 1317 NZ LYS A 86 -8.567 12.506 15.004 1.00 0.00 N ATOM 0 H LYS A 86 -6.174 8.456 10.441 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.189 9.253 12.273 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.683 8.131 13.119 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.505 7.764 14.363 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.888 9.833 15.158 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.959 10.426 13.795 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.207 10.313 12.473 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.969 10.178 14.045 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.955 12.374 13.635 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.529 12.551 12.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.488 13.540 15.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.568 12.230 15.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.043 12.059 15.783 1.00 0.00 H new ATOM 1331 N ASP A 87 -3.401 7.365 12.271 1.00 0.00 N ATOM 1332 CA ASP A 87 -2.276 6.512 12.632 1.00 0.00 C ATOM 1333 C ASP A 87 -1.062 6.811 11.757 1.00 0.00 C ATOM 1334 O ASP A 87 -1.193 7.326 10.648 1.00 0.00 O ATOM 1335 CB ASP A 87 -2.665 5.038 12.502 1.00 0.00 C ATOM 1336 CG ASP A 87 -2.262 4.226 13.718 1.00 0.00 C ATOM 1337 OD1 ASP A 87 -2.791 4.500 14.817 1.00 0.00 O ATOM 1338 OD2 ASP A 87 -1.419 3.317 13.572 1.00 0.00 O ATOM 0 H ASP A 87 -3.230 7.972 11.469 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.012 6.720 13.669 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.743 4.961 12.357 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.193 4.617 11.614 1.00 0.00 H new ATOM 1343 N GLU A 88 0.121 6.481 12.265 1.00 0.00 N ATOM 1344 CA GLU A 88 1.364 6.711 11.535 1.00 0.00 C ATOM 1345 C GLU A 88 1.416 5.899 10.242 1.00 0.00 C ATOM 1346 O GLU A 88 2.255 6.149 9.378 1.00 0.00 O ATOM 1347 CB GLU A 88 2.565 6.369 12.419 1.00 0.00 C ATOM 1348 CG GLU A 88 3.336 7.591 12.883 1.00 0.00 C ATOM 1349 CD GLU A 88 2.604 8.368 13.959 1.00 0.00 C ATOM 1350 OE1 GLU A 88 1.446 8.769 13.717 1.00 0.00 O ATOM 1351 OE2 GLU A 88 3.190 8.577 15.043 1.00 0.00 O ATOM 0 H GLU A 88 0.246 6.052 13.182 1.00 0.00 H new ATOM 0 HA GLU A 88 1.402 7.767 11.267 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.219 5.814 13.291 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.237 5.711 11.868 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.309 7.279 13.263 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.521 8.244 12.031 1.00 0.00 H new ATOM 1358 N ASP A 89 0.529 4.915 10.118 1.00 0.00 N ATOM 1359 CA ASP A 89 0.485 4.060 8.933 1.00 0.00 C ATOM 1360 C ASP A 89 0.559 4.871 7.637 1.00 0.00 C ATOM 1361 O ASP A 89 1.038 4.373 6.620 1.00 0.00 O ATOM 1362 CB ASP A 89 -0.787 3.208 8.940 1.00 0.00 C ATOM 1363 CG ASP A 89 -0.660 1.985 9.831 1.00 0.00 C ATOM 1364 OD1 ASP A 89 -0.302 2.150 11.018 1.00 0.00 O ATOM 1365 OD2 ASP A 89 -0.919 0.862 9.344 1.00 0.00 O ATOM 0 H ASP A 89 -0.171 4.689 10.825 1.00 0.00 H new ATOM 0 HA ASP A 89 1.360 3.411 8.970 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.626 3.816 9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.014 2.891 7.922 1.00 0.00 H new ATOM 1370 N PHE A 90 0.082 6.115 7.668 1.00 0.00 N ATOM 1371 CA PHE A 90 0.106 6.959 6.473 1.00 0.00 C ATOM 1372 C PHE A 90 1.427 7.717 6.342 1.00 0.00 C ATOM 1373 O PHE A 90 1.754 8.229 5.262 1.00 0.00 O ATOM 1374 CB PHE A 90 -1.069 7.945 6.472 1.00 0.00 C ATOM 1375 CG PHE A 90 -1.225 8.733 7.746 1.00 0.00 C ATOM 1376 CD1 PHE A 90 -0.194 9.527 8.225 1.00 0.00 C ATOM 1377 CD2 PHE A 90 -2.415 8.687 8.456 1.00 0.00 C ATOM 1378 CE1 PHE A 90 -0.345 10.254 9.391 1.00 0.00 C ATOM 1379 CE2 PHE A 90 -2.572 9.414 9.621 1.00 0.00 C ATOM 1380 CZ PHE A 90 -1.536 10.199 10.089 1.00 0.00 C ATOM 0 H PHE A 90 -0.320 6.556 8.495 1.00 0.00 H new ATOM 0 HA PHE A 90 0.010 6.297 5.612 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.942 8.641 5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.990 7.393 6.286 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.738 9.578 7.681 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.229 8.076 8.095 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.468 10.865 9.756 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.504 9.368 10.165 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.657 10.769 10.999 1.00 0.00 H new ATOM 1390 N SER A 91 2.184 7.790 7.440 1.00 0.00 N ATOM 1391 CA SER A 91 3.464 8.489 7.437 1.00 0.00 C ATOM 1392 C SER A 91 4.344 8.073 8.614 1.00 0.00 C ATOM 1393 O SER A 91 4.517 8.831 9.569 1.00 0.00 O ATOM 1394 CB SER A 91 3.244 10.003 7.461 1.00 0.00 C ATOM 1395 OG SER A 91 2.374 10.409 6.419 1.00 0.00 O ATOM 0 H SER A 91 1.931 7.375 8.337 1.00 0.00 H new ATOM 0 HA SER A 91 3.982 8.212 6.519 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.826 10.298 8.424 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.201 10.514 7.360 1.00 0.00 H new ATOM 0 HG SER A 91 2.879 10.486 5.583 1.00 0.00 H new ATOM 1401 N PRO A 92 4.922 6.862 8.556 1.00 0.00 N ATOM 1402 CA PRO A 92 5.792 6.347 9.602 1.00 0.00 C ATOM 1403 C PRO A 92 7.264 6.664 9.342 1.00 0.00 C ATOM 1404 O PRO A 92 8.155 6.028 9.905 1.00 0.00 O ATOM 1405 CB PRO A 92 5.547 4.846 9.503 1.00 0.00 C ATOM 1406 CG PRO A 92 5.310 4.600 8.045 1.00 0.00 C ATOM 1407 CD PRO A 92 4.778 5.890 7.458 1.00 0.00 C ATOM 0 HA PRO A 92 5.582 6.781 10.580 1.00 0.00 H new ATOM 0 HB2 PRO A 92 6.404 4.279 9.867 1.00 0.00 H new ATOM 0 HB3 PRO A 92 4.687 4.544 10.101 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.234 4.303 7.549 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.597 3.788 7.902 1.00 0.00 H new ATOM 0 HD2 PRO A 92 5.346 6.193 6.578 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.738 5.789 7.147 1.00 0.00 H new ATOM 1415 N ASP A 93 7.514 7.649 8.478 1.00 0.00 N ATOM 1416 CA ASP A 93 8.882 8.040 8.138 1.00 0.00 C ATOM 1417 C ASP A 93 9.242 9.398 8.748 1.00 0.00 C ATOM 1418 O ASP A 93 9.702 9.469 9.886 1.00 0.00 O ATOM 1419 CB ASP A 93 9.074 8.070 6.614 1.00 0.00 C ATOM 1420 CG ASP A 93 7.817 8.489 5.871 1.00 0.00 C ATOM 1421 OD1 ASP A 93 6.828 7.728 5.903 1.00 0.00 O ATOM 1422 OD2 ASP A 93 7.826 9.576 5.256 1.00 0.00 O ATOM 0 H ASP A 93 6.790 8.188 8.003 1.00 0.00 H new ATOM 0 HA ASP A 93 9.554 7.293 8.560 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.883 8.758 6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.381 7.082 6.271 1.00 0.00 H new ATOM 1427 N GLY A 94 9.035 10.471 7.986 1.00 0.00 N ATOM 1428 CA GLY A 94 9.351 11.799 8.479 1.00 0.00 C ATOM 1429 C GLY A 94 8.111 12.586 8.845 1.00 0.00 C ATOM 1430 O GLY A 94 7.749 12.671 10.018 1.00 0.00 O ATOM 0 H GLY A 94 8.655 10.443 7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.997 11.715 9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.912 12.342 7.719 1.00 0.00 H new ATOM 1434 N GLY A 95 7.457 13.165 7.842 1.00 0.00 N ATOM 1435 CA GLY A 95 6.261 13.939 8.103 1.00 0.00 C ATOM 1436 C GLY A 95 5.526 14.363 6.845 1.00 0.00 C ATOM 1437 O GLY A 95 4.801 15.359 6.860 1.00 0.00 O ATOM 0 H GLY A 95 7.733 13.112 6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.587 13.352 8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.531 14.828 8.673 1.00 0.00 H new ATOM 1441 N TYR A 96 5.688 13.615 5.755 1.00 0.00 N ATOM 1442 CA TYR A 96 5.000 13.954 4.514 1.00 0.00 C ATOM 1443 C TYR A 96 3.499 13.745 4.688 1.00 0.00 C ATOM 1444 O TYR A 96 3.053 13.337 5.761 1.00 0.00 O ATOM 1445 CB TYR A 96 5.540 13.135 3.327 1.00 0.00 C ATOM 1446 CG TYR A 96 5.481 11.624 3.491 1.00 0.00 C ATOM 1447 CD1 TYR A 96 4.641 11.023 4.419 1.00 0.00 C ATOM 1448 CD2 TYR A 96 6.266 10.794 2.693 1.00 0.00 C ATOM 1449 CE1 TYR A 96 4.587 9.652 4.549 1.00 0.00 C ATOM 1450 CE2 TYR A 96 6.214 9.417 2.822 1.00 0.00 C ATOM 1451 CZ TYR A 96 5.371 8.855 3.754 1.00 0.00 C ATOM 1452 OH TYR A 96 5.310 7.489 3.892 1.00 0.00 O ATOM 0 H TYR A 96 6.279 12.785 5.706 1.00 0.00 H new ATOM 0 HA TYR A 96 5.188 15.004 4.288 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.977 13.408 2.434 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.576 13.423 3.151 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.019 11.641 5.050 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.927 11.233 1.961 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.927 9.205 5.277 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.830 8.788 2.196 1.00 0.00 H new ATOM 0 HH TYR A 96 6.085 7.177 4.404 1.00 0.00 H new ATOM 1462 N ILE A 97 2.717 14.018 3.650 1.00 0.00 N ATOM 1463 CA ILE A 97 1.269 13.842 3.740 1.00 0.00 C ATOM 1464 C ILE A 97 0.622 13.637 2.336 1.00 0.00 C ATOM 1465 O ILE A 97 0.065 14.648 1.917 1.00 0.00 O ATOM 1466 CB ILE A 97 0.594 15.027 4.474 1.00 0.00 C ATOM 1467 CG1 ILE A 97 0.720 16.341 3.696 1.00 0.00 C ATOM 1468 CG2 ILE A 97 1.171 15.192 5.870 1.00 0.00 C ATOM 1469 CD1 ILE A 97 1.978 16.479 2.860 1.00 0.00 C ATOM 0 H ILE A 97 3.053 14.357 2.748 1.00 0.00 H new ATOM 0 HA ILE A 97 1.101 12.938 4.325 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.467 14.789 4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.145 16.441 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.681 17.169 4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.683 16.030 6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.003 14.280 6.443 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.242 15.384 5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.972 17.442 2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.853 16.417 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.014 15.677 2.122 1.00 0.00 H new ATOM 1481 N PRO A 98 -0.100 12.490 2.260 1.00 0.00 N ATOM 1482 CA PRO A 98 0.153 11.058 2.617 1.00 0.00 C ATOM 1483 C PRO A 98 0.887 10.341 1.490 1.00 0.00 C ATOM 1484 O PRO A 98 0.857 10.799 0.344 1.00 0.00 O ATOM 1485 CB PRO A 98 -1.227 10.447 2.790 1.00 0.00 C ATOM 1486 CG PRO A 98 -1.825 11.484 3.578 1.00 0.00 C ATOM 1487 CD PRO A 98 -0.669 12.420 3.686 1.00 0.00 C ATOM 0 HA PRO A 98 0.770 10.971 3.511 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.740 10.288 1.842 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.202 9.486 3.304 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.685 11.938 3.087 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -2.165 11.126 4.550 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.985 13.403 4.037 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.075 12.053 4.393 1.00 0.00 H new ATOM 1495 N ARG A 99 1.554 9.228 1.820 1.00 0.00 N ATOM 1496 CA ARG A 99 2.312 8.463 0.835 1.00 0.00 C ATOM 1497 C ARG A 99 1.926 6.983 0.844 1.00 0.00 C ATOM 1498 O ARG A 99 0.932 6.593 1.457 1.00 0.00 O ATOM 1499 CB ARG A 99 3.797 8.618 1.120 1.00 0.00 C ATOM 1500 CG ARG A 99 4.476 9.653 0.246 1.00 0.00 C ATOM 1501 CD ARG A 99 3.864 11.034 0.421 1.00 0.00 C ATOM 1502 NE ARG A 99 3.090 11.442 -0.749 1.00 0.00 N ATOM 1503 CZ ARG A 99 2.726 12.698 -0.996 1.00 0.00 C ATOM 1504 NH1 ARG A 99 3.064 13.670 -0.159 1.00 0.00 N ATOM 1505 NH2 ARG A 99 2.024 12.982 -2.083 1.00 0.00 N ATOM 0 H ARG A 99 1.581 8.841 2.763 1.00 0.00 H new ATOM 0 HA ARG A 99 2.078 8.853 -0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.931 8.893 2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.288 7.655 0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.538 9.693 0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.400 9.352 -0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.220 11.036 1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.656 11.761 0.604 1.00 0.00 H new ATOM 0 HE ARG A 99 2.812 10.722 -1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.605 13.456 0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.782 14.631 -0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.763 12.238 -2.730 1.00 0.00 H new ATOM 0 HH22 ARG A 99 1.745 13.945 -2.273 1.00 0.00 H new ATOM 1519 N ILE A 100 2.719 6.162 0.148 1.00 0.00 N ATOM 1520 CA ILE A 100 2.451 4.723 0.067 1.00 0.00 C ATOM 1521 C ILE A 100 3.291 3.931 1.067 1.00 0.00 C ATOM 1522 O ILE A 100 4.174 4.484 1.726 1.00 0.00 O ATOM 1523 CB ILE A 100 2.699 4.166 -1.360 1.00 0.00 C ATOM 1524 CG1 ILE A 100 4.180 3.826 -1.584 1.00 0.00 C ATOM 1525 CG2 ILE A 100 2.218 5.158 -2.408 1.00 0.00 C ATOM 1526 CD1 ILE A 100 4.408 2.393 -2.016 1.00 0.00 C ATOM 0 H ILE A 100 3.547 6.467 -0.364 1.00 0.00 H new ATOM 0 HA ILE A 100 1.397 4.600 0.315 1.00 0.00 H new ATOM 0 HB ILE A 100 2.128 3.243 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.589 4.495 -2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.732 4.012 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.399 4.752 -3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.151 5.336 -2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.759 6.097 -2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.475 2.221 -2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.029 1.717 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.884 2.208 -2.954 1.00 0.00 H new ATOM 1538 N LEU A 101 3.017 2.629 1.171 1.00 0.00 N ATOM 1539 CA LEU A 101 3.758 1.766 2.087 1.00 0.00 C ATOM 1540 C LEU A 101 3.257 0.326 2.051 1.00 0.00 C ATOM 1541 O LEU A 101 2.060 0.075 1.901 1.00 0.00 O ATOM 1542 CB LEU A 101 3.680 2.307 3.515 1.00 0.00 C ATOM 1543 CG LEU A 101 2.443 3.147 3.832 1.00 0.00 C ATOM 1544 CD1 LEU A 101 1.578 2.430 4.839 1.00 0.00 C ATOM 1545 CD2 LEU A 101 2.842 4.520 4.348 1.00 0.00 C ATOM 0 H LEU A 101 2.291 2.153 0.635 1.00 0.00 H new ATOM 0 HA LEU A 101 4.796 1.765 1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.713 1.465 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.567 2.911 3.705 1.00 0.00 H new ATOM 0 HG LEU A 101 1.871 3.286 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.699 3.035 5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.264 1.469 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.145 2.267 5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.946 5.101 4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.434 4.409 5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.432 5.036 3.591 1.00 0.00 H new ATOM 1557 N PHE A 102 4.185 -0.617 2.209 1.00 0.00 N ATOM 1558 CA PHE A 102 3.849 -2.036 2.217 1.00 0.00 C ATOM 1559 C PHE A 102 3.527 -2.488 3.640 1.00 0.00 C ATOM 1560 O PHE A 102 4.110 -1.990 4.605 1.00 0.00 O ATOM 1561 CB PHE A 102 5.010 -2.862 1.650 1.00 0.00 C ATOM 1562 CG PHE A 102 4.646 -3.668 0.435 1.00 0.00 C ATOM 1563 CD1 PHE A 102 3.465 -4.391 0.394 1.00 0.00 C ATOM 1564 CD2 PHE A 102 5.486 -3.702 -0.668 1.00 0.00 C ATOM 1565 CE1 PHE A 102 3.128 -5.133 -0.721 1.00 0.00 C ATOM 1566 CE2 PHE A 102 5.153 -4.442 -1.786 1.00 0.00 C ATOM 1567 CZ PHE A 102 3.974 -5.159 -1.813 1.00 0.00 C ATOM 0 H PHE A 102 5.178 -0.421 2.333 1.00 0.00 H new ATOM 0 HA PHE A 102 2.972 -2.192 1.589 1.00 0.00 H new ATOM 0 HB2 PHE A 102 5.831 -2.191 1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 102 5.376 -3.536 2.425 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.800 -4.374 1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 102 6.410 -3.144 -0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.204 -5.692 -0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.815 -4.459 -2.639 1.00 0.00 H new ATOM 0 HZ PHE A 102 3.713 -5.739 -2.686 1.00 0.00 H new ATOM 1577 N LEU A 103 2.593 -3.423 3.773 1.00 0.00 N ATOM 1578 CA LEU A 103 2.206 -3.912 5.090 1.00 0.00 C ATOM 1579 C LEU A 103 1.824 -5.390 5.055 1.00 0.00 C ATOM 1580 O LEU A 103 1.543 -5.948 3.994 1.00 0.00 O ATOM 1581 CB LEU A 103 1.050 -3.070 5.638 1.00 0.00 C ATOM 1582 CG LEU A 103 -0.334 -3.401 5.083 1.00 0.00 C ATOM 1583 CD1 LEU A 103 -1.339 -2.342 5.491 1.00 0.00 C ATOM 1584 CD2 LEU A 103 -0.286 -3.521 3.570 1.00 0.00 C ATOM 0 H LEU A 103 2.095 -3.853 2.994 1.00 0.00 H new ATOM 0 HA LEU A 103 3.067 -3.816 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.023 -3.185 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.261 -2.020 5.434 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.648 -4.358 5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.319 -2.595 5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.397 -2.295 6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.025 -1.373 5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.281 -3.757 3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.051 -2.577 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.406 -4.315 3.290 1.00 0.00 H new ATOM 1596 N ASP A 104 1.825 -6.016 6.230 1.00 0.00 N ATOM 1597 CA ASP A 104 1.488 -7.431 6.351 1.00 0.00 C ATOM 1598 C ASP A 104 0.026 -7.687 5.992 1.00 0.00 C ATOM 1599 O ASP A 104 -0.848 -6.862 6.281 1.00 0.00 O ATOM 1600 CB ASP A 104 1.771 -7.922 7.772 1.00 0.00 C ATOM 1601 CG ASP A 104 3.159 -8.508 7.914 1.00 0.00 C ATOM 1602 OD1 ASP A 104 4.136 -7.729 7.932 1.00 0.00 O ATOM 1603 OD2 ASP A 104 3.274 -9.749 8.009 1.00 0.00 O ATOM 0 H ASP A 104 2.056 -5.563 7.114 1.00 0.00 H new ATOM 0 HA ASP A 104 2.111 -7.984 5.648 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.657 -7.092 8.470 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.032 -8.674 8.048 1.00 0.00 H new ATOM 1608 N PRO A 105 -0.256 -8.846 5.358 1.00 0.00 N ATOM 1609 CA PRO A 105 -1.615 -9.225 4.955 1.00 0.00 C ATOM 1610 C PRO A 105 -2.609 -9.147 6.106 1.00 0.00 C ATOM 1611 O PRO A 105 -2.818 -10.125 6.823 1.00 0.00 O ATOM 1612 CB PRO A 105 -1.468 -10.676 4.487 1.00 0.00 C ATOM 1613 CG PRO A 105 -0.033 -10.832 4.123 1.00 0.00 C ATOM 1614 CD PRO A 105 0.737 -9.876 4.992 1.00 0.00 C ATOM 0 HA PRO A 105 -2.004 -8.553 4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -1.751 -11.373 5.275 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.114 -10.881 3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.299 -11.857 4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.125 -10.610 3.068 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.139 -10.374 5.874 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.582 -9.443 4.457 1.00 0.00 H new ATOM 1622 N SER A 106 -3.223 -7.979 6.272 1.00 0.00 N ATOM 1623 CA SER A 106 -4.205 -7.757 7.334 1.00 0.00 C ATOM 1624 C SER A 106 -4.401 -6.265 7.574 1.00 0.00 C ATOM 1625 O SER A 106 -5.472 -5.827 7.994 1.00 0.00 O ATOM 1626 CB SER A 106 -3.765 -8.430 8.639 1.00 0.00 C ATOM 1627 OG SER A 106 -4.353 -9.714 8.771 1.00 0.00 O ATOM 0 H SER A 106 -3.057 -7.165 5.681 1.00 0.00 H new ATOM 0 HA SER A 106 -5.148 -8.199 7.012 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.679 -8.520 8.658 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.048 -7.807 9.487 1.00 0.00 H new ATOM 0 HG SER A 106 -4.010 -10.305 8.069 1.00 0.00 H new ATOM 1633 N GLY A 107 -3.354 -5.492 7.311 1.00 0.00 N ATOM 1634 CA GLY A 107 -3.420 -4.058 7.509 1.00 0.00 C ATOM 1635 C GLY A 107 -2.460 -3.593 8.584 1.00 0.00 C ATOM 1636 O GLY A 107 -2.765 -2.671 9.340 1.00 0.00 O ATOM 0 H GLY A 107 -2.458 -5.835 6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.190 -3.551 6.572 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.437 -3.775 7.783 1.00 0.00 H new ATOM 1640 N LYS A 108 -1.299 -4.240 8.660 1.00 0.00 N ATOM 1641 CA LYS A 108 -0.299 -3.886 9.664 1.00 0.00 C ATOM 1642 C LYS A 108 0.931 -3.249 9.024 1.00 0.00 C ATOM 1643 O LYS A 108 1.937 -3.918 8.788 1.00 0.00 O ATOM 1644 CB LYS A 108 0.106 -5.127 10.466 1.00 0.00 C ATOM 1645 CG LYS A 108 -0.002 -4.939 11.972 1.00 0.00 C ATOM 1646 CD LYS A 108 1.198 -5.525 12.695 1.00 0.00 C ATOM 1647 CE LYS A 108 0.850 -5.924 14.120 1.00 0.00 C ATOM 1648 NZ LYS A 108 0.575 -7.383 14.237 1.00 0.00 N ATOM 0 H LYS A 108 -1.029 -5.006 8.043 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.744 -3.153 10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.524 -5.965 10.166 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.132 -5.394 10.214 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.083 -3.877 12.202 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.914 -5.414 12.334 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.562 -6.396 12.151 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.008 -4.796 12.708 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.672 -5.655 14.783 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.023 -5.362 14.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.342 -7.614 15.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.226 -7.636 13.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.417 -7.919 13.945 1.00 0.00 H new ATOM 1662 N VAL A 109 0.847 -1.948 8.745 1.00 0.00 N ATOM 1663 CA VAL A 109 1.942 -1.214 8.139 1.00 0.00 C ATOM 1664 C VAL A 109 3.267 -1.516 8.825 1.00 0.00 C ATOM 1665 O VAL A 109 3.456 -1.224 10.005 1.00 0.00 O ATOM 1666 CB VAL A 109 1.661 0.300 8.187 1.00 0.00 C ATOM 1667 CG1 VAL A 109 2.943 1.094 8.048 1.00 0.00 C ATOM 1668 CG2 VAL A 109 0.664 0.690 7.107 1.00 0.00 C ATOM 0 H VAL A 109 0.020 -1.382 8.934 1.00 0.00 H new ATOM 0 HA VAL A 109 2.019 -1.536 7.100 1.00 0.00 H new ATOM 0 HB VAL A 109 1.226 0.535 9.158 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.717 2.160 8.085 1.00 0.00 H new ATOM 0 HG12 VAL A 109 3.620 0.838 8.863 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.417 0.857 7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.477 1.763 7.155 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.070 0.436 6.128 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.271 0.151 7.263 1.00 0.00 H new ATOM 1678 N HIS A 110 4.180 -2.088 8.058 1.00 0.00 N ATOM 1679 CA HIS A 110 5.500 -2.422 8.557 1.00 0.00 C ATOM 1680 C HIS A 110 6.554 -1.775 7.669 1.00 0.00 C ATOM 1681 O HIS A 110 6.467 -1.853 6.444 1.00 0.00 O ATOM 1682 CB HIS A 110 5.693 -3.940 8.587 1.00 0.00 C ATOM 1683 CG HIS A 110 6.653 -4.401 9.640 1.00 0.00 C ATOM 1684 ND1 HIS A 110 8.009 -4.157 9.583 1.00 0.00 N ATOM 1685 CD2 HIS A 110 6.447 -5.096 10.784 1.00 0.00 C ATOM 1686 CE1 HIS A 110 8.594 -4.681 10.645 1.00 0.00 C ATOM 1687 NE2 HIS A 110 7.668 -5.258 11.389 1.00 0.00 N ATOM 0 H HIS A 110 4.027 -2.332 7.079 1.00 0.00 H new ATOM 0 HA HIS A 110 5.603 -2.045 9.574 1.00 0.00 H new ATOM 0 HB2 HIS A 110 4.727 -4.418 8.753 1.00 0.00 H new ATOM 0 HB3 HIS A 110 6.049 -4.272 7.612 1.00 0.00 H new ATOM 0 HD2 HIS A 110 5.498 -5.456 11.152 1.00 0.00 H new ATOM 0 HE1 HIS A 110 9.650 -4.644 10.867 1.00 0.00 H new ATOM 0 HE2 HIS A 110 7.833 -5.745 12.270 1.00 0.00 H new ATOM 1696 N PRO A 111 7.562 -1.122 8.262 1.00 0.00 N ATOM 1697 CA PRO A 111 8.622 -0.463 7.497 1.00 0.00 C ATOM 1698 C PRO A 111 9.532 -1.465 6.792 1.00 0.00 C ATOM 1699 O PRO A 111 10.747 -1.279 6.731 1.00 0.00 O ATOM 1700 CB PRO A 111 9.400 0.316 8.558 1.00 0.00 C ATOM 1701 CG PRO A 111 9.136 -0.408 9.833 1.00 0.00 C ATOM 1702 CD PRO A 111 7.747 -0.969 9.714 1.00 0.00 C ATOM 0 HA PRO A 111 8.221 0.166 6.702 1.00 0.00 H new ATOM 0 HB2 PRO A 111 10.466 0.339 8.330 1.00 0.00 H new ATOM 0 HB3 PRO A 111 9.064 1.351 8.614 1.00 0.00 H new ATOM 0 HG2 PRO A 111 9.865 -1.203 9.988 1.00 0.00 H new ATOM 0 HG3 PRO A 111 9.212 0.265 10.687 1.00 0.00 H new ATOM 0 HD2 PRO A 111 7.653 -1.923 10.233 1.00 0.00 H new ATOM 0 HD3 PRO A 111 7.004 -0.297 10.145 1.00 0.00 H new ATOM 1710 N GLU A 112 8.934 -2.528 6.256 1.00 0.00 N ATOM 1711 CA GLU A 112 9.694 -3.554 5.552 1.00 0.00 C ATOM 1712 C GLU A 112 10.011 -3.100 4.130 1.00 0.00 C ATOM 1713 O GLU A 112 11.123 -2.657 3.842 1.00 0.00 O ATOM 1714 CB GLU A 112 8.914 -4.872 5.527 1.00 0.00 C ATOM 1715 CG GLU A 112 9.636 -6.018 6.219 1.00 0.00 C ATOM 1716 CD GLU A 112 9.914 -5.736 7.681 1.00 0.00 C ATOM 1717 OE1 GLU A 112 10.817 -4.922 7.966 1.00 0.00 O ATOM 1718 OE2 GLU A 112 9.229 -6.327 8.542 1.00 0.00 O ATOM 0 H GLU A 112 7.929 -2.699 6.297 1.00 0.00 H new ATOM 0 HA GLU A 112 10.632 -3.715 6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.946 -4.721 6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.718 -5.149 4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.035 -6.924 6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.578 -6.212 5.705 1.00 0.00 H new ATOM 1725 N ILE A 113 9.021 -3.199 3.249 1.00 0.00 N ATOM 1726 CA ILE A 113 9.188 -2.783 1.863 1.00 0.00 C ATOM 1727 C ILE A 113 8.668 -1.363 1.676 1.00 0.00 C ATOM 1728 O ILE A 113 7.529 -1.059 2.036 1.00 0.00 O ATOM 1729 CB ILE A 113 8.452 -3.728 0.893 1.00 0.00 C ATOM 1730 CG1 ILE A 113 8.725 -5.189 1.259 1.00 0.00 C ATOM 1731 CG2 ILE A 113 8.874 -3.448 -0.543 1.00 0.00 C ATOM 1732 CD1 ILE A 113 10.180 -5.580 1.126 1.00 0.00 C ATOM 0 H ILE A 113 8.095 -3.564 3.471 1.00 0.00 H new ATOM 0 HA ILE A 113 10.253 -2.821 1.635 1.00 0.00 H new ATOM 0 HB ILE A 113 7.381 -3.547 0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.401 -5.365 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.123 -5.835 0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.346 -4.123 -1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.631 -2.417 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.948 -3.603 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 113 10.302 -6.628 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 113 10.503 -5.435 0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.785 -4.959 1.786 1.00 0.00 H new ATOM 1744 N ILE A 114 9.509 -0.491 1.134 1.00 0.00 N ATOM 1745 CA ILE A 114 9.121 0.898 0.930 1.00 0.00 C ATOM 1746 C ILE A 114 9.327 1.347 -0.516 1.00 0.00 C ATOM 1747 O ILE A 114 8.362 1.596 -1.238 1.00 0.00 O ATOM 1748 CB ILE A 114 9.899 1.846 1.870 1.00 0.00 C ATOM 1749 CG1 ILE A 114 11.363 1.401 2.018 1.00 0.00 C ATOM 1750 CG2 ILE A 114 9.221 1.908 3.228 1.00 0.00 C ATOM 1751 CD1 ILE A 114 12.087 2.041 3.186 1.00 0.00 C ATOM 0 H ILE A 114 10.456 -0.718 0.830 1.00 0.00 H new ATOM 0 HA ILE A 114 8.058 0.952 1.163 1.00 0.00 H new ATOM 0 HB ILE A 114 9.896 2.843 1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 114 11.393 0.318 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 114 11.898 1.637 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.778 2.579 3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.203 2.279 3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 114 9.195 0.911 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.113 1.676 3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.091 3.124 3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 114 11.578 1.784 4.115 1.00 0.00 H new ATOM 1763 N ASN A 115 10.587 1.455 -0.927 1.00 0.00 N ATOM 1764 CA ASN A 115 10.927 1.884 -2.276 1.00 0.00 C ATOM 1765 C ASN A 115 12.440 1.965 -2.439 1.00 0.00 C ATOM 1766 O ASN A 115 12.961 2.891 -3.060 1.00 0.00 O ATOM 1767 CB ASN A 115 10.297 3.247 -2.577 1.00 0.00 C ATOM 1768 CG ASN A 115 10.363 3.596 -4.050 1.00 0.00 C ATOM 1769 OD1 ASN A 115 10.745 2.768 -4.877 1.00 0.00 O ATOM 1770 ND2 ASN A 115 9.986 4.825 -4.389 1.00 0.00 N ATOM 0 H ASN A 115 11.394 1.249 -0.338 1.00 0.00 H new ATOM 0 HA ASN A 115 10.534 1.151 -2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 115 9.256 3.244 -2.253 1.00 0.00 H new ATOM 0 HB3 ASN A 115 10.809 4.017 -2.000 1.00 0.00 H new ATOM 0 HD21 ASN A 115 10.007 5.113 -5.367 1.00 0.00 H new ATOM 0 HD22 ASN A 115 9.676 5.480 -3.671 1.00 0.00 H new ATOM 1777 N GLU A 116 13.144 0.989 -1.870 1.00 0.00 N ATOM 1778 CA GLU A 116 14.602 0.947 -1.944 1.00 0.00 C ATOM 1779 C GLU A 116 15.089 1.115 -3.382 1.00 0.00 C ATOM 1780 O GLU A 116 16.209 1.569 -3.616 1.00 0.00 O ATOM 1781 CB GLU A 116 15.123 -0.375 -1.373 1.00 0.00 C ATOM 1782 CG GLU A 116 14.664 -0.659 0.019 1.00 0.00 C ATOM 1783 CD GLU A 116 13.895 -1.961 0.136 1.00 0.00 C ATOM 1784 OE1 GLU A 116 14.445 -3.013 -0.253 1.00 0.00 O ATOM 1785 OE2 GLU A 116 12.742 -1.930 0.614 1.00 0.00 O ATOM 0 H GLU A 116 12.727 0.216 -1.352 1.00 0.00 H new ATOM 0 HA GLU A 116 14.990 1.776 -1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 116 14.804 -1.190 -2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 116 16.213 -0.361 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 116 15.529 -0.694 0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 116 14.033 0.161 0.362 1.00 0.00 H new ATOM 1792 N ASN A 117 14.244 0.745 -4.337 1.00 0.00 N ATOM 1793 CA ASN A 117 14.595 0.852 -5.748 1.00 0.00 C ATOM 1794 C ASN A 117 14.192 2.209 -6.324 1.00 0.00 C ATOM 1795 O ASN A 117 14.644 2.587 -7.405 1.00 0.00 O ATOM 1796 CB ASN A 117 13.930 -0.271 -6.546 1.00 0.00 C ATOM 1797 CG ASN A 117 14.850 -0.851 -7.600 1.00 0.00 C ATOM 1798 OD1 ASN A 117 15.352 -1.967 -7.458 1.00 0.00 O ATOM 1799 ND2 ASN A 117 15.075 -0.093 -8.664 1.00 0.00 N ATOM 0 H ASN A 117 13.312 0.369 -4.161 1.00 0.00 H new ATOM 0 HA ASN A 117 15.678 0.759 -5.828 1.00 0.00 H new ATOM 0 HB2 ASN A 117 13.618 -1.062 -5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 117 13.028 0.111 -7.025 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.686 -0.428 -9.409 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.637 0.825 -8.738 1.00 0.00 H new ATOM 1806 N GLY A 118 13.339 2.940 -5.607 1.00 0.00 N ATOM 1807 CA GLY A 118 12.903 4.240 -6.089 1.00 0.00 C ATOM 1808 C GLY A 118 13.756 5.377 -5.560 1.00 0.00 C ATOM 1809 O GLY A 118 14.966 5.229 -5.388 1.00 0.00 O ATOM 0 H GLY A 118 12.946 2.658 -4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 118 12.931 4.247 -7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 118 11.866 4.402 -5.796 1.00 0.00 H new ATOM 1813 N ASN A 119 13.120 6.516 -5.309 1.00 0.00 N ATOM 1814 CA ASN A 119 13.818 7.693 -4.803 1.00 0.00 C ATOM 1815 C ASN A 119 14.570 7.375 -3.510 1.00 0.00 C ATOM 1816 O ASN A 119 13.956 7.040 -2.496 1.00 0.00 O ATOM 1817 CB ASN A 119 12.826 8.831 -4.560 1.00 0.00 C ATOM 1818 CG ASN A 119 13.499 10.189 -4.535 1.00 0.00 C ATOM 1819 OD1 ASN A 119 14.725 10.286 -4.525 1.00 0.00 O ATOM 1820 ND2 ASN A 119 12.697 11.246 -4.525 1.00 0.00 N ATOM 0 H ASN A 119 12.118 6.650 -5.448 1.00 0.00 H new ATOM 0 HA ASN A 119 14.544 8.002 -5.555 1.00 0.00 H new ATOM 0 HB2 ASN A 119 12.066 8.820 -5.341 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.312 8.666 -3.613 1.00 0.00 H new ATOM 0 HD21 ASN A 119 13.092 12.186 -4.508 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.685 11.118 -4.534 1.00 0.00 H new ATOM 1827 N PRO A 120 15.913 7.479 -3.525 1.00 0.00 N ATOM 1828 CA PRO A 120 16.739 7.204 -2.348 1.00 0.00 C ATOM 1829 C PRO A 120 16.759 8.370 -1.365 1.00 0.00 C ATOM 1830 O PRO A 120 17.823 8.845 -0.969 1.00 0.00 O ATOM 1831 CB PRO A 120 18.125 6.986 -2.950 1.00 0.00 C ATOM 1832 CG PRO A 120 18.144 7.856 -4.159 1.00 0.00 C ATOM 1833 CD PRO A 120 16.731 7.874 -4.689 1.00 0.00 C ATOM 0 HA PRO A 120 16.366 6.359 -1.770 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.911 7.264 -2.248 1.00 0.00 H new ATOM 0 HB3 PRO A 120 18.285 5.940 -3.211 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.478 8.863 -3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 120 18.835 7.467 -4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.454 8.862 -5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 120 16.606 7.179 -5.520 1.00 0.00 H new ATOM 1841 N SER A 121 15.574 8.828 -0.974 1.00 0.00 N ATOM 1842 CA SER A 121 15.446 9.938 -0.039 1.00 0.00 C ATOM 1843 C SER A 121 13.975 10.210 0.231 1.00 0.00 C ATOM 1844 O SER A 121 13.543 11.361 0.304 1.00 0.00 O ATOM 1845 CB SER A 121 16.120 11.192 -0.600 1.00 0.00 C ATOM 1846 OG SER A 121 17.466 11.285 -0.167 1.00 0.00 O ATOM 0 H SER A 121 14.684 8.444 -1.293 1.00 0.00 H new ATOM 0 HA SER A 121 15.940 9.672 0.895 1.00 0.00 H new ATOM 0 HB2 SER A 121 16.086 11.171 -1.689 1.00 0.00 H new ATOM 0 HB3 SER A 121 15.570 12.078 -0.281 1.00 0.00 H new ATOM 0 HG SER A 121 17.951 10.475 -0.430 1.00 0.00 H new ATOM 1852 N TYR A 122 13.211 9.133 0.364 1.00 0.00 N ATOM 1853 CA TYR A 122 11.782 9.235 0.607 1.00 0.00 C ATOM 1854 C TYR A 122 11.174 7.854 0.839 1.00 0.00 C ATOM 1855 O TYR A 122 10.276 7.689 1.665 1.00 0.00 O ATOM 1856 CB TYR A 122 11.110 9.919 -0.582 1.00 0.00 C ATOM 1857 CG TYR A 122 10.547 11.285 -0.258 1.00 0.00 C ATOM 1858 CD1 TYR A 122 9.431 11.426 0.557 1.00 0.00 C ATOM 1859 CD2 TYR A 122 11.137 12.434 -0.769 1.00 0.00 C ATOM 1860 CE1 TYR A 122 8.919 12.675 0.853 1.00 0.00 C ATOM 1861 CE2 TYR A 122 10.630 13.687 -0.477 1.00 0.00 C ATOM 1862 CZ TYR A 122 9.522 13.802 0.334 1.00 0.00 C ATOM 1863 OH TYR A 122 9.013 15.047 0.628 1.00 0.00 O ATOM 0 H TYR A 122 13.561 8.177 0.307 1.00 0.00 H new ATOM 0 HA TYR A 122 11.618 9.831 1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 122 11.834 10.017 -1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 122 10.306 9.282 -0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 122 8.956 10.546 0.966 1.00 0.00 H new ATOM 0 HD2 TYR A 122 12.006 12.347 -1.405 1.00 0.00 H new ATOM 0 HE1 TYR A 122 8.050 12.768 1.488 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.100 14.571 -0.882 1.00 0.00 H new ATOM 0 HH TYR A 122 9.553 15.734 0.185 1.00 0.00 H new ATOM 1873 N LYS A 123 11.679 6.861 0.111 1.00 0.00 N ATOM 1874 CA LYS A 123 11.201 5.489 0.245 1.00 0.00 C ATOM 1875 C LYS A 123 9.684 5.399 0.037 1.00 0.00 C ATOM 1876 O LYS A 123 9.210 5.264 -1.091 1.00 0.00 O ATOM 1877 CB LYS A 123 11.591 4.942 1.622 1.00 0.00 C ATOM 1878 CG LYS A 123 13.057 4.564 1.738 1.00 0.00 C ATOM 1879 CD LYS A 123 13.436 3.489 0.732 1.00 0.00 C ATOM 1880 CE LYS A 123 14.356 4.037 -0.348 1.00 0.00 C ATOM 1881 NZ LYS A 123 15.796 3.831 -0.013 1.00 0.00 N ATOM 0 H LYS A 123 12.421 6.982 -0.579 1.00 0.00 H new ATOM 0 HA LYS A 123 11.671 4.883 -0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 123 11.357 5.690 2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 123 10.981 4.066 1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 123 13.675 5.447 1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 123 13.263 4.208 2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 123 13.929 2.664 1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 123 12.534 3.085 0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.131 3.550 -1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 123 14.164 5.101 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 16.379 4.029 -0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 16.068 4.474 0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 15.945 2.847 0.288 1.00 0.00 H new ATOM 1895 N TYR A 124 8.932 5.478 1.136 1.00 0.00 N ATOM 1896 CA TYR A 124 7.468 5.413 1.105 1.00 0.00 C ATOM 1897 C TYR A 124 6.889 6.193 -0.081 1.00 0.00 C ATOM 1898 O TYR A 124 5.835 5.842 -0.608 1.00 0.00 O ATOM 1899 CB TYR A 124 6.912 5.967 2.411 1.00 0.00 C ATOM 1900 CG TYR A 124 7.256 5.116 3.613 1.00 0.00 C ATOM 1901 CD1 TYR A 124 6.747 3.832 3.741 1.00 0.00 C ATOM 1902 CD2 TYR A 124 8.083 5.595 4.621 1.00 0.00 C ATOM 1903 CE1 TYR A 124 7.050 3.048 4.837 1.00 0.00 C ATOM 1904 CE2 TYR A 124 8.392 4.817 5.721 1.00 0.00 C ATOM 1905 CZ TYR A 124 7.872 3.544 5.823 1.00 0.00 C ATOM 1906 OH TYR A 124 8.178 2.767 6.918 1.00 0.00 O ATOM 0 H TYR A 124 9.320 5.589 2.073 1.00 0.00 H new ATOM 0 HA TYR A 124 7.176 4.370 0.986 1.00 0.00 H new ATOM 0 HB2 TYR A 124 7.298 6.975 2.565 1.00 0.00 H new ATOM 0 HB3 TYR A 124 5.828 6.050 2.331 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.102 3.438 2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 124 8.491 6.592 4.544 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.644 2.051 4.920 1.00 0.00 H new ATOM 0 HE2 TYR A 124 9.037 5.204 6.496 1.00 0.00 H new ATOM 0 HH TYR A 124 8.770 3.266 7.518 1.00 0.00 H new ATOM 1916 N PHE A 125 7.581 7.251 -0.494 1.00 0.00 N ATOM 1917 CA PHE A 125 7.129 8.075 -1.616 1.00 0.00 C ATOM 1918 C PHE A 125 7.096 7.270 -2.914 1.00 0.00 C ATOM 1919 O PHE A 125 8.088 6.646 -3.292 1.00 0.00 O ATOM 1920 CB PHE A 125 8.044 9.289 -1.782 1.00 0.00 C ATOM 1921 CG PHE A 125 7.413 10.427 -2.535 1.00 0.00 C ATOM 1922 CD1 PHE A 125 6.447 11.218 -1.937 1.00 0.00 C ATOM 1923 CD2 PHE A 125 7.791 10.705 -3.839 1.00 0.00 C ATOM 1924 CE1 PHE A 125 5.867 12.267 -2.626 1.00 0.00 C ATOM 1925 CE2 PHE A 125 7.215 11.753 -4.532 1.00 0.00 C ATOM 1926 CZ PHE A 125 6.251 12.535 -3.926 1.00 0.00 C ATOM 0 H PHE A 125 8.456 7.560 -0.071 1.00 0.00 H new ATOM 0 HA PHE A 125 6.116 8.414 -1.397 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.346 9.642 -0.796 1.00 0.00 H new ATOM 0 HB3 PHE A 125 8.951 8.980 -2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 125 6.143 11.013 -0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 125 8.543 10.096 -4.319 1.00 0.00 H new ATOM 0 HE1 PHE A 125 5.114 12.877 -2.148 1.00 0.00 H new ATOM 0 HE2 PHE A 125 7.519 11.961 -5.547 1.00 0.00 H new ATOM 0 HZ PHE A 125 5.799 13.353 -4.467 1.00 0.00 H new ATOM 1936 N TYR A 126 5.950 7.292 -3.594 1.00 0.00 N ATOM 1937 CA TYR A 126 5.787 6.566 -4.852 1.00 0.00 C ATOM 1938 C TYR A 126 5.310 7.498 -5.963 1.00 0.00 C ATOM 1939 O TYR A 126 4.111 7.595 -6.225 1.00 0.00 O ATOM 1940 CB TYR A 126 4.779 5.425 -4.684 1.00 0.00 C ATOM 1941 CG TYR A 126 5.400 4.044 -4.649 1.00 0.00 C ATOM 1942 CD1 TYR A 126 6.674 3.837 -4.133 1.00 0.00 C ATOM 1943 CD2 TYR A 126 4.701 2.942 -5.125 1.00 0.00 C ATOM 1944 CE1 TYR A 126 7.232 2.573 -4.096 1.00 0.00 C ATOM 1945 CE2 TYR A 126 5.252 1.677 -5.088 1.00 0.00 C ATOM 1946 CZ TYR A 126 6.517 1.498 -4.573 1.00 0.00 C ATOM 1947 OH TYR A 126 7.069 0.237 -4.536 1.00 0.00 O ATOM 0 H TYR A 126 5.121 7.805 -3.294 1.00 0.00 H new ATOM 0 HA TYR A 126 6.759 6.156 -5.127 1.00 0.00 H new ATOM 0 HB2 TYR A 126 4.220 5.583 -3.762 1.00 0.00 H new ATOM 0 HB3 TYR A 126 4.061 5.467 -5.503 1.00 0.00 H new ATOM 0 HD1 TYR A 126 7.237 4.677 -3.755 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.709 3.077 -5.531 1.00 0.00 H new ATOM 0 HE1 TYR A 126 8.224 2.430 -3.695 1.00 0.00 H new ATOM 0 HE2 TYR A 126 4.694 0.831 -5.461 1.00 0.00 H new ATOM 0 HH TYR A 126 6.434 -0.409 -4.910 1.00 0.00 H new ATOM 1957 N VAL A 127 6.245 8.174 -6.617 1.00 0.00 N ATOM 1958 CA VAL A 127 5.907 9.089 -7.701 1.00 0.00 C ATOM 1959 C VAL A 127 6.250 8.475 -9.056 1.00 0.00 C ATOM 1960 O VAL A 127 7.151 8.945 -9.752 1.00 0.00 O ATOM 1961 CB VAL A 127 6.634 10.443 -7.542 1.00 0.00 C ATOM 1962 CG1 VAL A 127 8.130 10.233 -7.361 1.00 0.00 C ATOM 1963 CG2 VAL A 127 6.354 11.354 -8.730 1.00 0.00 C ATOM 0 H VAL A 127 7.243 8.107 -6.417 1.00 0.00 H new ATOM 0 HA VAL A 127 4.833 9.267 -7.653 1.00 0.00 H new ATOM 0 HB VAL A 127 6.249 10.931 -6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 127 8.622 11.199 -7.251 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.308 9.632 -6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 127 8.533 9.718 -8.233 1.00 0.00 H new ATOM 0 HG21 VAL A 127 6.877 12.301 -8.594 1.00 0.00 H new ATOM 0 HG22 VAL A 127 6.702 10.875 -9.645 1.00 0.00 H new ATOM 0 HG23 VAL A 127 5.282 11.539 -8.802 1.00 0.00 H new ATOM 1973 N SER A 128 5.517 7.423 -9.420 1.00 0.00 N ATOM 1974 CA SER A 128 5.723 6.725 -10.694 1.00 0.00 C ATOM 1975 C SER A 128 5.112 5.322 -10.660 1.00 0.00 C ATOM 1976 O SER A 128 5.361 4.545 -9.738 1.00 0.00 O ATOM 1977 CB SER A 128 7.217 6.621 -11.027 1.00 0.00 C ATOM 1978 OG SER A 128 7.448 5.639 -12.022 1.00 0.00 O ATOM 0 H SER A 128 4.769 7.031 -8.847 1.00 0.00 H new ATOM 0 HA SER A 128 5.224 7.309 -11.467 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.584 7.587 -11.372 1.00 0.00 H new ATOM 0 HB3 SER A 128 7.777 6.370 -10.126 1.00 0.00 H new ATOM 0 HG SER A 128 7.667 6.078 -12.870 1.00 0.00 H new ATOM 1984 N ALA A 129 4.318 5.006 -11.680 1.00 0.00 N ATOM 1985 CA ALA A 129 3.676 3.700 -11.776 1.00 0.00 C ATOM 1986 C ALA A 129 4.668 2.621 -12.205 1.00 0.00 C ATOM 1987 O ALA A 129 4.434 1.434 -11.989 1.00 0.00 O ATOM 1988 CB ALA A 129 2.510 3.756 -12.748 1.00 0.00 C ATOM 0 H ALA A 129 4.104 5.638 -12.452 1.00 0.00 H new ATOM 0 HA ALA A 129 3.303 3.438 -10.786 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.040 2.774 -12.810 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.780 4.486 -12.399 1.00 0.00 H new ATOM 0 HB3 ALA A 129 2.872 4.048 -13.734 1.00 0.00 H new ATOM 1994 N GLU A 130 5.776 3.034 -12.814 1.00 0.00 N ATOM 1995 CA GLU A 130 6.787 2.084 -13.263 1.00 0.00 C ATOM 1996 C GLU A 130 7.468 1.419 -12.069 1.00 0.00 C ATOM 1997 O GLU A 130 7.867 0.251 -12.131 1.00 0.00 O ATOM 1998 CB GLU A 130 7.824 2.778 -14.156 1.00 0.00 C ATOM 1999 CG GLU A 130 8.774 3.701 -13.409 1.00 0.00 C ATOM 2000 CD GLU A 130 10.222 3.265 -13.524 1.00 0.00 C ATOM 2001 OE1 GLU A 130 10.826 3.483 -14.596 1.00 0.00 O ATOM 2002 OE2 GLU A 130 10.753 2.702 -12.543 1.00 0.00 O ATOM 0 H GLU A 130 5.995 4.012 -13.006 1.00 0.00 H new ATOM 0 HA GLU A 130 6.291 1.311 -13.850 1.00 0.00 H new ATOM 0 HB2 GLU A 130 8.408 2.017 -14.674 1.00 0.00 H new ATOM 0 HB3 GLU A 130 7.302 3.354 -14.920 1.00 0.00 H new ATOM 0 HG2 GLU A 130 8.671 4.714 -13.798 1.00 0.00 H new ATOM 0 HG3 GLU A 130 8.491 3.734 -12.357 1.00 0.00 H new ATOM 2009 N GLN A 131 7.590 2.150 -10.969 1.00 0.00 N ATOM 2010 CA GLN A 131 8.212 1.586 -9.790 1.00 0.00 C ATOM 2011 C GLN A 131 7.223 0.724 -9.031 1.00 0.00 C ATOM 2012 O GLN A 131 7.560 -0.362 -8.566 1.00 0.00 O ATOM 2013 CB GLN A 131 8.769 2.650 -8.864 1.00 0.00 C ATOM 2014 CG GLN A 131 7.857 3.848 -8.655 1.00 0.00 C ATOM 2015 CD GLN A 131 8.527 4.946 -7.852 1.00 0.00 C ATOM 2016 OE1 GLN A 131 9.749 5.091 -7.876 1.00 0.00 O ATOM 2017 NE2 GLN A 131 7.729 5.725 -7.133 1.00 0.00 N ATOM 0 H GLN A 131 7.272 3.114 -10.873 1.00 0.00 H new ATOM 0 HA GLN A 131 9.046 0.976 -10.136 1.00 0.00 H new ATOM 0 HB2 GLN A 131 8.979 2.196 -7.895 1.00 0.00 H new ATOM 0 HB3 GLN A 131 9.720 3.000 -9.265 1.00 0.00 H new ATOM 0 HG2 GLN A 131 7.552 4.243 -9.624 1.00 0.00 H new ATOM 0 HG3 GLN A 131 6.950 3.527 -8.142 1.00 0.00 H new ATOM 0 HE21 GLN A 131 6.721 5.569 -7.142 1.00 0.00 H new ATOM 0 HE22 GLN A 131 8.124 6.479 -6.571 1.00 0.00 H new ATOM 2026 N VAL A 132 5.992 1.211 -8.911 1.00 0.00 N ATOM 2027 CA VAL A 132 4.960 0.472 -8.210 1.00 0.00 C ATOM 2028 C VAL A 132 4.799 -0.920 -8.810 1.00 0.00 C ATOM 2029 O VAL A 132 4.347 -1.844 -8.141 1.00 0.00 O ATOM 2030 CB VAL A 132 3.602 1.214 -8.227 1.00 0.00 C ATOM 2031 CG1 VAL A 132 3.802 2.711 -8.034 1.00 0.00 C ATOM 2032 CG2 VAL A 132 2.827 0.933 -9.508 1.00 0.00 C ATOM 0 H VAL A 132 5.691 2.109 -9.289 1.00 0.00 H new ATOM 0 HA VAL A 132 5.278 0.383 -7.171 1.00 0.00 H new ATOM 0 HB VAL A 132 3.010 0.836 -7.394 1.00 0.00 H new ATOM 0 HG11 VAL A 132 2.834 3.212 -8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 132 4.289 2.892 -7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.426 3.101 -8.838 1.00 0.00 H new ATOM 0 HG21 VAL A 132 1.879 1.470 -9.485 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.411 1.264 -10.367 1.00 0.00 H new ATOM 0 HG23 VAL A 132 2.636 -0.137 -9.590 1.00 0.00 H new ATOM 2042 N VAL A 133 5.181 -1.064 -10.079 1.00 0.00 N ATOM 2043 CA VAL A 133 5.081 -2.348 -10.754 1.00 0.00 C ATOM 2044 C VAL A 133 6.292 -3.222 -10.455 1.00 0.00 C ATOM 2045 O VAL A 133 6.168 -4.445 -10.395 1.00 0.00 O ATOM 2046 CB VAL A 133 4.917 -2.200 -12.281 1.00 0.00 C ATOM 2047 CG1 VAL A 133 6.171 -1.616 -12.908 1.00 0.00 C ATOM 2048 CG2 VAL A 133 4.576 -3.543 -12.909 1.00 0.00 C ATOM 0 H VAL A 133 5.559 -0.310 -10.653 1.00 0.00 H new ATOM 0 HA VAL A 133 4.183 -2.828 -10.364 1.00 0.00 H new ATOM 0 HB VAL A 133 4.095 -1.510 -12.472 1.00 0.00 H new ATOM 0 HG11 VAL A 133 6.030 -1.522 -13.985 1.00 0.00 H new ATOM 0 HG12 VAL A 133 6.368 -0.633 -12.481 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.017 -2.274 -12.709 1.00 0.00 H new ATOM 0 HG21 VAL A 133 4.463 -3.423 -13.986 1.00 0.00 H new ATOM 0 HG22 VAL A 133 5.377 -4.254 -12.705 1.00 0.00 H new ATOM 0 HG23 VAL A 133 3.643 -3.916 -12.486 1.00 0.00 H new ATOM 2058 N GLN A 134 7.467 -2.612 -10.252 1.00 0.00 N ATOM 2059 CA GLN A 134 8.652 -3.415 -9.943 1.00 0.00 C ATOM 2060 C GLN A 134 8.588 -3.865 -8.495 1.00 0.00 C ATOM 2061 O GLN A 134 8.980 -4.983 -8.159 1.00 0.00 O ATOM 2062 CB GLN A 134 9.955 -2.657 -10.212 1.00 0.00 C ATOM 2063 CG GLN A 134 9.882 -1.176 -9.909 1.00 0.00 C ATOM 2064 CD GLN A 134 11.178 -0.451 -10.216 1.00 0.00 C ATOM 2065 OE1 GLN A 134 11.182 0.574 -10.896 1.00 0.00 O ATOM 2066 NE2 GLN A 134 12.285 -0.981 -9.713 1.00 0.00 N ATOM 0 H GLN A 134 7.619 -1.604 -10.294 1.00 0.00 H new ATOM 0 HA GLN A 134 8.652 -4.283 -10.602 1.00 0.00 H new ATOM 0 HB2 GLN A 134 10.751 -3.101 -9.614 1.00 0.00 H new ATOM 0 HB3 GLN A 134 10.231 -2.790 -11.258 1.00 0.00 H new ATOM 0 HG2 GLN A 134 9.075 -0.730 -10.490 1.00 0.00 H new ATOM 0 HG3 GLN A 134 9.633 -1.036 -8.857 1.00 0.00 H new ATOM 0 HE21 GLN A 134 12.234 -1.833 -9.154 1.00 0.00 H new ATOM 0 HE22 GLN A 134 13.187 -0.537 -9.885 1.00 0.00 H new ATOM 2075 N GLY A 135 8.049 -2.998 -7.647 1.00 0.00 N ATOM 2076 CA GLY A 135 7.892 -3.332 -6.250 1.00 0.00 C ATOM 2077 C GLY A 135 6.690 -4.232 -6.044 1.00 0.00 C ATOM 2078 O GLY A 135 6.565 -4.892 -5.011 1.00 0.00 O ATOM 0 H GLY A 135 7.718 -2.068 -7.905 1.00 0.00 H new ATOM 0 HA2 GLY A 135 8.791 -3.830 -5.887 1.00 0.00 H new ATOM 0 HA3 GLY A 135 7.774 -2.420 -5.664 1.00 0.00 H new ATOM 2082 N MET A 136 5.809 -4.265 -7.045 1.00 0.00 N ATOM 2083 CA MET A 136 4.617 -5.099 -6.990 1.00 0.00 C ATOM 2084 C MET A 136 4.925 -6.482 -7.548 1.00 0.00 C ATOM 2085 O MET A 136 4.465 -7.497 -7.027 1.00 0.00 O ATOM 2086 CB MET A 136 3.479 -4.456 -7.793 1.00 0.00 C ATOM 2087 CG MET A 136 2.554 -3.557 -6.975 1.00 0.00 C ATOM 2088 SD MET A 136 3.372 -2.747 -5.582 1.00 0.00 S ATOM 2089 CE MET A 136 2.801 -3.762 -4.223 1.00 0.00 C ATOM 0 H MET A 136 5.903 -3.721 -7.903 1.00 0.00 H new ATOM 0 HA MET A 136 4.304 -5.193 -5.950 1.00 0.00 H new ATOM 0 HB2 MET A 136 3.910 -3.869 -8.604 1.00 0.00 H new ATOM 0 HB3 MET A 136 2.884 -5.246 -8.252 1.00 0.00 H new ATOM 0 HG2 MET A 136 2.131 -2.795 -7.629 1.00 0.00 H new ATOM 0 HG3 MET A 136 1.722 -4.153 -6.600 1.00 0.00 H new ATOM 0 HE1 MET A 136 3.117 -3.318 -3.279 1.00 0.00 H new ATOM 0 HE2 MET A 136 1.713 -3.825 -4.248 1.00 0.00 H new ATOM 0 HE3 MET A 136 3.224 -4.762 -4.313 1.00 0.00 H new ATOM 2099 N LYS A 137 5.721 -6.502 -8.610 1.00 0.00 N ATOM 2100 CA LYS A 137 6.117 -7.745 -9.256 1.00 0.00 C ATOM 2101 C LYS A 137 7.187 -8.470 -8.441 1.00 0.00 C ATOM 2102 O LYS A 137 7.464 -9.647 -8.674 1.00 0.00 O ATOM 2103 CB LYS A 137 6.612 -7.468 -10.679 1.00 0.00 C ATOM 2104 CG LYS A 137 7.946 -6.746 -10.756 1.00 0.00 C ATOM 2105 CD LYS A 137 8.108 -6.009 -12.081 1.00 0.00 C ATOM 2106 CE LYS A 137 7.802 -6.904 -13.277 1.00 0.00 C ATOM 2107 NZ LYS A 137 8.982 -7.719 -13.681 1.00 0.00 N ATOM 0 H LYS A 137 6.107 -5.664 -9.044 1.00 0.00 H new ATOM 0 HA LYS A 137 5.244 -8.396 -9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 137 6.696 -8.416 -11.211 1.00 0.00 H new ATOM 0 HB3 LYS A 137 5.862 -6.874 -11.201 1.00 0.00 H new ATOM 0 HG2 LYS A 137 8.025 -6.037 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 137 8.757 -7.464 -10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 137 7.445 -5.144 -12.097 1.00 0.00 H new ATOM 0 HD3 LYS A 137 9.127 -5.631 -12.163 1.00 0.00 H new ATOM 0 HE2 LYS A 137 6.971 -7.566 -13.031 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.482 -6.289 -14.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.731 -8.313 -14.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 9.767 -7.088 -13.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 9.273 -8.326 -12.888 1.00 0.00 H new ATOM 2121 N GLU A 138 7.778 -7.763 -7.480 1.00 0.00 N ATOM 2122 CA GLU A 138 8.811 -8.342 -6.625 1.00 0.00 C ATOM 2123 C GLU A 138 8.216 -8.838 -5.312 1.00 0.00 C ATOM 2124 O GLU A 138 8.218 -10.035 -5.027 1.00 0.00 O ATOM 2125 CB GLU A 138 9.903 -7.308 -6.339 1.00 0.00 C ATOM 2126 CG GLU A 138 11.221 -7.925 -5.900 1.00 0.00 C ATOM 2127 CD GLU A 138 11.863 -7.172 -4.752 1.00 0.00 C ATOM 2128 OE1 GLU A 138 12.471 -6.109 -5.003 1.00 0.00 O ATOM 2129 OE2 GLU A 138 11.758 -7.643 -3.599 1.00 0.00 O ATOM 0 H GLU A 138 7.559 -6.788 -7.274 1.00 0.00 H new ATOM 0 HA GLU A 138 9.248 -9.191 -7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 138 10.071 -6.711 -7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 138 9.553 -6.627 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 138 11.052 -8.960 -5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 138 11.908 -7.945 -6.746 1.00 0.00 H new ATOM 2136 N ALA A 139 7.710 -7.904 -4.516 1.00 0.00 N ATOM 2137 CA ALA A 139 7.110 -8.230 -3.225 1.00 0.00 C ATOM 2138 C ALA A 139 6.021 -9.291 -3.364 1.00 0.00 C ATOM 2139 O ALA A 139 5.714 -10.007 -2.411 1.00 0.00 O ATOM 2140 CB ALA A 139 6.539 -6.975 -2.583 1.00 0.00 C ATOM 0 H ALA A 139 7.703 -6.909 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 139 7.893 -8.638 -2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 139 6.094 -7.229 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 139 7.337 -6.248 -2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 139 5.776 -6.548 -3.234 1.00 0.00 H new ATOM 2146 N GLN A 140 5.437 -9.380 -4.552 1.00 0.00 N ATOM 2147 CA GLN A 140 4.374 -10.339 -4.819 1.00 0.00 C ATOM 2148 C GLN A 140 4.780 -11.775 -4.478 1.00 0.00 C ATOM 2149 O GLN A 140 3.922 -12.644 -4.342 1.00 0.00 O ATOM 2150 CB GLN A 140 3.958 -10.258 -6.287 1.00 0.00 C ATOM 2151 CG GLN A 140 5.127 -10.286 -7.254 1.00 0.00 C ATOM 2152 CD GLN A 140 5.683 -11.682 -7.461 1.00 0.00 C ATOM 2153 OE1 GLN A 140 6.881 -11.913 -7.302 1.00 0.00 O ATOM 2154 NE2 GLN A 140 4.814 -12.620 -7.819 1.00 0.00 N ATOM 0 H GLN A 140 5.684 -8.795 -5.350 1.00 0.00 H new ATOM 0 HA GLN A 140 3.535 -10.076 -4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 140 3.291 -11.090 -6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 140 3.389 -9.341 -6.444 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.809 -9.880 -8.214 1.00 0.00 H new ATOM 0 HG3 GLN A 140 5.918 -9.636 -6.880 1.00 0.00 H new ATOM 0 HE21 GLN A 140 3.829 -12.384 -7.939 1.00 0.00 H new ATOM 0 HE22 GLN A 140 5.131 -13.577 -7.973 1.00 0.00 H new ATOM 2163 N GLU A 141 6.082 -12.029 -4.353 1.00 0.00 N ATOM 2164 CA GLU A 141 6.559 -13.374 -4.041 1.00 0.00 C ATOM 2165 C GLU A 141 7.410 -13.403 -2.772 1.00 0.00 C ATOM 2166 O GLU A 141 7.342 -14.352 -1.992 1.00 0.00 O ATOM 2167 CB GLU A 141 7.348 -13.939 -5.212 1.00 0.00 C ATOM 2168 CG GLU A 141 8.691 -13.286 -5.356 1.00 0.00 C ATOM 2169 CD GLU A 141 9.427 -13.703 -6.615 1.00 0.00 C ATOM 2170 OE1 GLU A 141 9.740 -14.904 -6.749 1.00 0.00 O ATOM 2171 OE2 GLU A 141 9.685 -12.829 -7.468 1.00 0.00 O ATOM 0 H GLU A 141 6.817 -11.330 -4.462 1.00 0.00 H new ATOM 0 HA GLU A 141 5.681 -13.995 -3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 141 7.480 -15.012 -5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 141 6.779 -13.803 -6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.563 -12.204 -5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.302 -13.532 -4.488 1.00 0.00 H new ATOM 2178 N ARG A 142 8.220 -12.368 -2.575 1.00 0.00 N ATOM 2179 CA ARG A 142 9.092 -12.293 -1.405 1.00 0.00 C ATOM 2180 C ARG A 142 8.362 -11.737 -0.184 1.00 0.00 C ATOM 2181 O ARG A 142 8.852 -11.848 0.940 1.00 0.00 O ATOM 2182 CB ARG A 142 10.318 -11.431 -1.713 1.00 0.00 C ATOM 2183 CG ARG A 142 9.971 -10.009 -2.119 1.00 0.00 C ATOM 2184 CD ARG A 142 9.987 -9.062 -0.928 1.00 0.00 C ATOM 2185 NE ARG A 142 11.345 -8.804 -0.452 1.00 0.00 N ATOM 2186 CZ ARG A 142 11.912 -9.439 0.573 1.00 0.00 C ATOM 2187 NH1 ARG A 142 11.252 -10.386 1.233 1.00 0.00 N ATOM 2188 NH2 ARG A 142 13.148 -9.130 0.938 1.00 0.00 N ATOM 0 H ARG A 142 8.292 -11.571 -3.207 1.00 0.00 H new ATOM 0 HA ARG A 142 9.409 -13.309 -1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 142 10.963 -11.403 -0.835 1.00 0.00 H new ATOM 0 HB3 ARG A 142 10.890 -11.900 -2.513 1.00 0.00 H new ATOM 0 HG2 ARG A 142 10.681 -9.662 -2.869 1.00 0.00 H new ATOM 0 HG3 ARG A 142 8.985 -9.994 -2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 142 9.516 -8.120 -1.208 1.00 0.00 H new ATOM 0 HD3 ARG A 142 9.394 -9.487 -0.119 1.00 0.00 H new ATOM 0 HE ARG A 142 11.893 -8.093 -0.935 1.00 0.00 H new ATOM 0 HH11 ARG A 142 10.302 -10.633 0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 142 11.696 -10.866 2.016 1.00 0.00 H new ATOM 0 HH21 ARG A 142 13.663 -8.408 0.435 1.00 0.00 H new ATOM 0 HH22 ARG A 142 13.584 -9.615 1.722 1.00 0.00 H new ATOM 2202 N LEU A 143 7.200 -11.127 -0.403 1.00 0.00 N ATOM 2203 CA LEU A 143 6.430 -10.549 0.694 1.00 0.00 C ATOM 2204 C LEU A 143 5.172 -11.365 0.993 1.00 0.00 C ATOM 2205 O LEU A 143 4.550 -11.193 2.041 1.00 0.00 O ATOM 2206 CB LEU A 143 6.054 -9.106 0.361 1.00 0.00 C ATOM 2207 CG LEU A 143 5.420 -8.316 1.504 1.00 0.00 C ATOM 2208 CD1 LEU A 143 6.292 -8.374 2.749 1.00 0.00 C ATOM 2209 CD2 LEU A 143 5.182 -6.876 1.080 1.00 0.00 C ATOM 0 H LEU A 143 6.774 -11.021 -1.323 1.00 0.00 H new ATOM 0 HA LEU A 143 7.055 -10.566 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 143 6.951 -8.581 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 143 5.362 -9.113 -0.481 1.00 0.00 H new ATOM 0 HG LEU A 143 4.459 -8.769 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 143 5.821 -7.805 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 143 6.410 -9.411 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 143 7.271 -7.948 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 143 4.730 -6.324 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 143 6.132 -6.414 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 143 4.513 -6.856 0.220 1.00 0.00 H new ATOM 2221 N THR A 144 4.798 -12.250 0.072 1.00 0.00 N ATOM 2222 CA THR A 144 3.610 -13.080 0.252 1.00 0.00 C ATOM 2223 C THR A 144 3.970 -14.443 0.840 1.00 0.00 C ATOM 2224 O THR A 144 3.117 -15.128 1.405 1.00 0.00 O ATOM 2225 CB THR A 144 2.881 -13.262 -1.079 1.00 0.00 C ATOM 2226 OG1 THR A 144 1.633 -13.902 -0.886 1.00 0.00 O ATOM 2227 CG2 THR A 144 3.661 -14.082 -2.083 1.00 0.00 C ATOM 0 H THR A 144 5.298 -12.410 -0.803 1.00 0.00 H new ATOM 0 HA THR A 144 2.951 -12.569 0.954 1.00 0.00 H new ATOM 0 HB THR A 144 2.753 -12.254 -1.475 1.00 0.00 H new ATOM 0 HG1 THR A 144 1.314 -13.729 0.024 1.00 0.00 H new ATOM 0 HG21 THR A 144 3.086 -14.172 -3.005 1.00 0.00 H new ATOM 0 HG22 THR A 144 4.611 -13.591 -2.294 1.00 0.00 H new ATOM 0 HG23 THR A 144 3.849 -15.075 -1.674 1.00 0.00 H new