USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 581 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 51 TYR OH : rot -90:sc= 0.0188 USER MOD Set 1.2: A 92 GLN :FLIP amide:sc= 0.00749 F(o=-1.1,f=0.026) USER MOD Set 2.1: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 60 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.18) USER MOD Single : A 23 LYS NZ :NH3+ -135:sc= 0.592 (180deg=-0.0259) USER MOD Single : A 25 LYS NZ :NH3+ 149:sc= 0.93 (180deg=-0.155) USER MOD Single : A 29 GLN : amide:sc= -3.21! C(o=-3.2!,f=-11!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0.125 K(o=0.12,f=-6.7!) USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= -2.16! (180deg=-3.6!) USER MOD Single : A 40 MET CE :methyl -152:sc= -2.13! (180deg=-4.08!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00121 USER MOD Single : A 42 THR OG1 : rot -170:sc= 0 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.119 F(o=-0.73,f=-0.12) USER MOD Single : A 45 LYS NZ :NH3+ 153:sc= 1.18 (180deg=1.07) USER MOD Single : A 46 LYS NZ :NH3+ -146:sc= 1.1 (180deg=0.371) USER MOD Single : A 48 LYS NZ :NH3+ -135:sc= -3.29! (180deg=-5.86!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 70:sc= 1.07 USER MOD Single : A 53 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.051) USER MOD Single : A 55 GLN : amide:sc= 0.0887 K(o=0.089,f=-0.81) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.1) USER MOD Single : A 74 ASN : amide:sc= -0.0446 X(o=-0.045,f=-0.091) USER MOD Single : A 75 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-6.9!) USER MOD Single : A 76 THR OG1 : rot -149:sc= -2.39! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -175:sc= -5.27! (180deg=-5.39!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -9.999 7.636 6.838 1.00 0.00 N ATOM 312 CA ILE A 22 -10.051 7.407 5.422 1.00 0.00 C ATOM 313 C ILE A 22 -9.972 5.919 5.119 1.00 0.00 C ATOM 314 O ILE A 22 -9.199 5.200 5.706 1.00 0.00 O ATOM 315 CB ILE A 22 -8.907 8.178 4.706 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.542 7.535 3.369 1.00 0.00 C ATOM 317 CG2 ILE A 22 -7.683 8.277 5.610 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.646 8.398 2.514 1.00 0.00 C ATOM 0 HA ILE A 22 -11.003 7.780 5.045 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.268 9.185 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.046 6.582 3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.457 7.316 2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.892 8.820 5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.948 8.807 6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.333 7.275 5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.426 7.881 1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.148 9.341 2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.716 8.596 3.046 1.00 0.00 H new ATOM 330 N LYS A 23 -10.804 5.451 4.235 1.00 0.00 N ATOM 331 CA LYS A 23 -10.766 4.057 3.846 1.00 0.00 C ATOM 332 C LYS A 23 -10.088 3.938 2.498 1.00 0.00 C ATOM 333 O LYS A 23 -10.197 4.828 1.668 1.00 0.00 O ATOM 334 CB LYS A 23 -12.178 3.475 3.793 1.00 0.00 C ATOM 335 CG LYS A 23 -13.068 4.146 2.774 1.00 0.00 C ATOM 336 CD LYS A 23 -14.491 3.650 2.859 1.00 0.00 C ATOM 337 CE LYS A 23 -15.365 4.394 1.877 1.00 0.00 C ATOM 338 NZ LYS A 23 -16.781 3.988 1.964 1.00 0.00 N ATOM 0 H LYS A 23 -11.519 6.007 3.766 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.200 3.490 4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.116 2.411 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.636 3.563 4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.049 5.225 2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.678 3.961 1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.524 2.581 2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.871 3.787 3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.285 5.465 2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.001 4.218 0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.161 3.847 1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.855 3.100 2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.326 4.731 2.447 1.00 0.00 H new ATOM 352 N LEU A 24 -9.376 2.865 2.279 1.00 0.00 N ATOM 353 CA LEU A 24 -8.688 2.663 1.013 1.00 0.00 C ATOM 354 C LEU A 24 -8.848 1.243 0.523 1.00 0.00 C ATOM 355 O LEU A 24 -8.993 0.308 1.315 1.00 0.00 O ATOM 356 CB LEU A 24 -7.203 3.005 1.142 1.00 0.00 C ATOM 357 CG LEU A 24 -6.869 4.483 1.348 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.383 4.662 1.536 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.361 5.315 0.168 1.00 0.00 C ATOM 0 H LEU A 24 -9.252 2.112 2.955 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.143 3.332 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.792 2.440 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.692 2.660 0.243 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.378 4.830 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.159 5.719 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.056 4.098 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.858 4.298 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.114 6.364 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.880 4.969 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.442 5.208 0.073 1.00 0.00 H new ATOM 371 N LYS A 25 -8.838 1.071 -0.784 1.00 0.00 N ATOM 372 CA LYS A 25 -8.929 -0.238 -1.373 1.00 0.00 C ATOM 373 C LYS A 25 -7.724 -0.511 -2.243 1.00 0.00 C ATOM 374 O LYS A 25 -7.335 0.303 -3.081 1.00 0.00 O ATOM 375 CB LYS A 25 -10.251 -0.401 -2.159 1.00 0.00 C ATOM 376 CG LYS A 25 -10.308 -1.592 -3.141 1.00 0.00 C ATOM 377 CD LYS A 25 -9.815 -1.204 -4.529 1.00 0.00 C ATOM 378 CE LYS A 25 -10.357 -2.122 -5.615 1.00 0.00 C ATOM 379 NZ LYS A 25 -11.841 -2.082 -5.711 1.00 0.00 N ATOM 0 H LYS A 25 -8.767 1.833 -1.458 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.936 -0.978 -0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.066 -0.506 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.434 0.516 -2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.701 -2.411 -2.755 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.332 -1.959 -3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.112 -0.177 -4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.725 -1.230 -4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.927 -1.836 -6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.037 -3.144 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.130 -2.254 -6.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.249 -2.816 -5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.183 -1.148 -5.408 1.00 0.00 H new ATOM 393 N VAL A 26 -7.117 -1.640 -2.024 1.00 0.00 N ATOM 394 CA VAL A 26 -5.988 -2.058 -2.805 1.00 0.00 C ATOM 395 C VAL A 26 -6.455 -3.049 -3.856 1.00 0.00 C ATOM 396 O VAL A 26 -7.194 -3.991 -3.550 1.00 0.00 O ATOM 397 CB VAL A 26 -4.893 -2.695 -1.911 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.761 -3.257 -2.754 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.358 -1.672 -0.923 1.00 0.00 C ATOM 0 H VAL A 26 -7.391 -2.300 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.549 -1.185 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.344 -3.518 -1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.006 -3.698 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.152 -4.021 -3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.311 -2.455 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.590 -2.133 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.928 -0.831 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.172 -1.317 -0.290 1.00 0.00 H new ATOM 409 N ILE A 27 -6.065 -2.830 -5.095 1.00 0.00 N ATOM 410 CA ILE A 27 -6.481 -3.689 -6.179 1.00 0.00 C ATOM 411 C ILE A 27 -5.272 -4.254 -6.923 1.00 0.00 C ATOM 412 O ILE A 27 -4.248 -3.593 -7.064 1.00 0.00 O ATOM 413 CB ILE A 27 -7.414 -2.938 -7.174 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.063 -3.921 -8.159 1.00 0.00 C ATOM 415 CG2 ILE A 27 -6.659 -1.842 -7.922 1.00 0.00 C ATOM 416 CD1 ILE A 27 -8.996 -3.268 -9.161 1.00 0.00 C ATOM 0 H ILE A 27 -5.458 -2.060 -5.375 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.042 -4.515 -5.741 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.204 -2.461 -6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.277 -4.448 -8.700 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.619 -4.670 -7.595 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.338 -1.336 -8.609 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.262 -1.121 -7.207 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.837 -2.285 -8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.413 -4.030 -9.820 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.805 -2.765 -8.631 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.442 -2.540 -9.753 1.00 0.00 H new ATOM 428 N GLY A 28 -5.385 -5.487 -7.366 1.00 0.00 N ATOM 429 CA GLY A 28 -4.321 -6.107 -8.116 1.00 0.00 C ATOM 430 C GLY A 28 -4.803 -6.541 -9.476 1.00 0.00 C ATOM 431 O GLY A 28 -6.005 -6.697 -9.684 1.00 0.00 O ATOM 0 H GLY A 28 -6.203 -6.078 -7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.493 -5.407 -8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.940 -6.969 -7.569 1.00 0.00 H new ATOM 435 N GLN A 29 -3.873 -6.763 -10.412 1.00 0.00 N ATOM 436 CA GLN A 29 -4.226 -7.174 -11.790 1.00 0.00 C ATOM 437 C GLN A 29 -5.007 -8.499 -11.825 1.00 0.00 C ATOM 438 O GLN A 29 -5.551 -8.884 -12.855 1.00 0.00 O ATOM 439 CB GLN A 29 -2.978 -7.293 -12.682 1.00 0.00 C ATOM 440 CG GLN A 29 -2.102 -8.512 -12.392 1.00 0.00 C ATOM 441 CD GLN A 29 -1.170 -8.313 -11.219 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.048 -7.866 -11.383 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.617 -8.662 -10.032 1.00 0.00 N ATOM 0 H GLN A 29 -2.871 -6.667 -10.248 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.871 -6.387 -12.181 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.295 -7.329 -13.724 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.375 -6.392 -12.563 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.742 -9.372 -12.197 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.514 -8.747 -13.279 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.562 -9.033 -9.932 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.019 -8.562 -9.212 1.00 0.00 H new ATOM 452 N ASP A 30 -5.059 -9.199 -10.700 1.00 0.00 N ATOM 453 CA ASP A 30 -5.778 -10.469 -10.623 1.00 0.00 C ATOM 454 C ASP A 30 -7.233 -10.222 -10.203 1.00 0.00 C ATOM 455 O ASP A 30 -7.948 -11.135 -9.788 1.00 0.00 O ATOM 456 CB ASP A 30 -5.077 -11.414 -9.631 1.00 0.00 C ATOM 457 CG ASP A 30 -5.651 -12.824 -9.647 1.00 0.00 C ATOM 458 OD1 ASP A 30 -5.700 -13.440 -10.734 1.00 0.00 O ATOM 459 OD2 ASP A 30 -6.050 -13.325 -8.574 1.00 0.00 O ATOM 0 H ASP A 30 -4.614 -8.912 -9.828 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.777 -10.941 -11.605 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.014 -11.458 -9.868 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.162 -11.004 -8.625 1.00 0.00 H new ATOM 464 N SER A 31 -7.663 -8.956 -10.311 1.00 0.00 N ATOM 465 CA SER A 31 -9.023 -8.533 -9.949 1.00 0.00 C ATOM 466 C SER A 31 -9.255 -8.662 -8.442 1.00 0.00 C ATOM 467 O SER A 31 -10.389 -8.659 -7.959 1.00 0.00 O ATOM 468 CB SER A 31 -10.067 -9.327 -10.742 1.00 0.00 C ATOM 469 OG SER A 31 -9.826 -9.208 -12.139 1.00 0.00 O ATOM 0 H SER A 31 -7.076 -8.195 -10.653 1.00 0.00 H new ATOM 0 HA SER A 31 -9.133 -7.481 -10.210 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.034 -10.376 -10.449 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.067 -8.962 -10.507 1.00 0.00 H new ATOM 0 HG SER A 31 -10.499 -9.722 -12.632 1.00 0.00 H new ATOM 475 N SER A 32 -8.170 -8.773 -7.702 1.00 0.00 N ATOM 476 CA SER A 32 -8.226 -8.864 -6.266 1.00 0.00 C ATOM 477 C SER A 32 -8.424 -7.478 -5.665 1.00 0.00 C ATOM 478 O SER A 32 -7.785 -6.515 -6.082 1.00 0.00 O ATOM 479 CB SER A 32 -6.933 -9.483 -5.742 1.00 0.00 C ATOM 480 OG SER A 32 -6.640 -10.690 -6.425 1.00 0.00 O ATOM 0 H SER A 32 -7.225 -8.802 -8.085 1.00 0.00 H new ATOM 0 HA SER A 32 -9.067 -9.495 -5.977 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.110 -8.779 -5.869 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.025 -9.678 -4.673 1.00 0.00 H new ATOM 0 HG SER A 32 -5.807 -11.070 -6.076 1.00 0.00 H new ATOM 486 N GLU A 33 -9.310 -7.378 -4.694 1.00 0.00 N ATOM 487 CA GLU A 33 -9.564 -6.111 -4.051 1.00 0.00 C ATOM 488 C GLU A 33 -9.765 -6.265 -2.564 1.00 0.00 C ATOM 489 O GLU A 33 -10.445 -7.181 -2.098 1.00 0.00 O ATOM 490 CB GLU A 33 -10.748 -5.380 -4.677 1.00 0.00 C ATOM 491 CG GLU A 33 -12.096 -6.042 -4.489 1.00 0.00 C ATOM 492 CD GLU A 33 -13.222 -5.134 -4.924 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.370 -4.033 -4.329 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.963 -5.500 -5.854 1.00 0.00 O ATOM 0 H GLU A 33 -9.862 -8.157 -4.336 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.673 -5.503 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.795 -4.375 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.562 -5.272 -5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.131 -6.968 -5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.228 -6.311 -3.441 1.00 0.00 H new ATOM 501 N ILE A 34 -9.161 -5.376 -1.816 1.00 0.00 N ATOM 502 CA ILE A 34 -9.276 -5.371 -0.375 1.00 0.00 C ATOM 503 C ILE A 34 -9.581 -3.968 0.118 1.00 0.00 C ATOM 504 O ILE A 34 -8.948 -3.002 -0.300 1.00 0.00 O ATOM 505 CB ILE A 34 -7.988 -5.896 0.304 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.752 -5.218 -0.296 1.00 0.00 C ATOM 507 CG2 ILE A 34 -7.895 -7.413 0.180 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.440 -5.679 0.297 1.00 0.00 C ATOM 0 H ILE A 34 -8.572 -4.631 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.094 -6.040 -0.107 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.029 -5.648 1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.736 -5.402 -1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.841 -4.140 -0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.983 -7.762 0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.759 -7.871 0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.877 -7.691 -0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.617 -5.150 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.431 -5.469 1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.325 -6.751 0.136 1.00 0.00 H new ATOM 520 N HIS A 35 -10.565 -3.850 0.980 1.00 0.00 N ATOM 521 CA HIS A 35 -10.968 -2.559 1.517 1.00 0.00 C ATOM 522 C HIS A 35 -10.595 -2.473 2.979 1.00 0.00 C ATOM 523 O HIS A 35 -11.034 -3.290 3.788 1.00 0.00 O ATOM 524 CB HIS A 35 -12.485 -2.342 1.367 1.00 0.00 C ATOM 525 CG HIS A 35 -12.978 -2.244 -0.047 1.00 0.00 C ATOM 526 ND1 HIS A 35 -13.873 -1.282 -0.468 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.723 -3.009 -1.133 1.00 0.00 C ATOM 528 CE1 HIS A 35 -14.145 -1.465 -1.743 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.458 -2.507 -2.171 1.00 0.00 N ATOM 0 H HIS A 35 -11.109 -4.638 1.331 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.449 -1.784 0.954 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -13.004 -3.164 1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.760 -1.429 1.895 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.060 -3.861 -1.173 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.817 -0.864 -2.338 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.473 -2.878 -3.121 1.00 0.00 H new ATOM 538 N PHE A 36 -9.784 -1.502 3.329 1.00 0.00 N ATOM 539 CA PHE A 36 -9.370 -1.325 4.707 1.00 0.00 C ATOM 540 C PHE A 36 -9.606 0.095 5.167 1.00 0.00 C ATOM 541 O PHE A 36 -9.608 1.035 4.371 1.00 0.00 O ATOM 542 CB PHE A 36 -7.899 -1.692 4.899 1.00 0.00 C ATOM 543 CG PHE A 36 -7.627 -3.168 4.864 1.00 0.00 C ATOM 544 CD1 PHE A 36 -7.789 -3.939 6.005 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.206 -3.786 3.700 1.00 0.00 C ATOM 546 CE1 PHE A 36 -7.535 -5.295 5.985 1.00 0.00 C ATOM 547 CE2 PHE A 36 -6.950 -5.142 3.674 1.00 0.00 C ATOM 548 CZ PHE A 36 -7.116 -5.896 4.816 1.00 0.00 C ATOM 0 H PHE A 36 -9.395 -0.819 2.679 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.977 -1.998 5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.310 -1.206 4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.557 -1.293 5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.118 -3.472 6.921 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.076 -3.201 2.802 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.664 -5.884 6.881 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.620 -5.612 2.759 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.918 -6.957 4.796 1.00 0.00 H new ATOM 558 N LYS A 37 -9.806 0.251 6.452 1.00 0.00 N ATOM 559 CA LYS A 37 -10.022 1.551 7.042 1.00 0.00 C ATOM 560 C LYS A 37 -8.737 2.045 7.669 1.00 0.00 C ATOM 561 O LYS A 37 -8.249 1.472 8.647 1.00 0.00 O ATOM 562 CB LYS A 37 -11.111 1.483 8.103 1.00 0.00 C ATOM 563 CG LYS A 37 -11.365 2.811 8.795 1.00 0.00 C ATOM 564 CD LYS A 37 -11.854 2.627 10.227 1.00 0.00 C ATOM 565 CE LYS A 37 -10.718 2.229 11.180 1.00 0.00 C ATOM 566 NZ LYS A 37 -10.220 0.839 10.953 1.00 0.00 N ATOM 0 H LYS A 37 -9.824 -0.520 7.120 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.338 2.240 6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.037 1.140 7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.833 0.740 8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.447 3.399 8.799 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.105 3.378 8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.311 3.553 10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.630 1.861 10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.891 2.929 11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.067 2.320 12.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.779 0.482 11.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.016 0.224 10.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.518 0.843 10.186 1.00 0.00 H new ATOM 580 N VAL A 38 -8.195 3.107 7.136 1.00 0.00 N ATOM 581 CA VAL A 38 -6.952 3.650 7.623 1.00 0.00 C ATOM 582 C VAL A 38 -7.174 5.026 8.237 1.00 0.00 C ATOM 583 O VAL A 38 -8.281 5.573 8.191 1.00 0.00 O ATOM 584 CB VAL A 38 -5.877 3.721 6.495 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.483 2.327 6.042 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.366 4.542 5.306 1.00 0.00 C ATOM 0 H VAL A 38 -8.600 3.620 6.353 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.577 2.978 8.395 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.000 4.219 6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.732 2.399 5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.072 1.773 6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.361 1.807 5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.591 4.570 4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.267 4.086 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.590 5.558 5.633 1.00 0.00 H new ATOM 622 N MET A 40 -5.222 9.029 8.989 1.00 0.00 N ATOM 623 CA MET A 40 -4.631 10.053 8.157 1.00 0.00 C ATOM 624 C MET A 40 -3.156 9.736 7.902 1.00 0.00 C ATOM 625 O MET A 40 -2.653 9.888 6.797 1.00 0.00 O ATOM 626 CB MET A 40 -4.784 11.425 8.828 1.00 0.00 C ATOM 627 CG MET A 40 -4.370 12.620 7.973 1.00 0.00 C ATOM 628 SD MET A 40 -5.656 13.188 6.815 1.00 0.00 S ATOM 629 CE MET A 40 -5.784 11.821 5.654 1.00 0.00 C ATOM 0 HA MET A 40 -5.148 10.078 7.198 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.826 11.553 9.122 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.192 11.431 9.743 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.098 13.446 8.630 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.477 12.356 7.406 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.113 12.196 4.685 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.810 11.343 5.546 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.506 11.094 6.026 1.00 0.00 H new ATOM 639 N THR A 41 -2.482 9.252 8.926 1.00 0.00 N ATOM 640 CA THR A 41 -1.056 8.980 8.859 1.00 0.00 C ATOM 641 C THR A 41 -0.711 7.476 8.871 1.00 0.00 C ATOM 642 O THR A 41 0.369 7.085 9.314 1.00 0.00 O ATOM 643 CB THR A 41 -0.350 9.675 10.026 1.00 0.00 C ATOM 644 OG1 THR A 41 -1.094 9.443 11.242 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.253 11.168 9.765 1.00 0.00 C ATOM 0 H THR A 41 -2.905 9.036 9.829 1.00 0.00 H new ATOM 0 HA THR A 41 -0.709 9.371 7.903 1.00 0.00 H new ATOM 0 HB THR A 41 0.656 9.269 10.128 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.643 9.886 11.991 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.251 11.652 10.602 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.314 11.341 8.851 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.254 11.584 9.655 1.00 0.00 H new ATOM 653 N THR A 42 -1.605 6.633 8.371 1.00 0.00 N ATOM 654 CA THR A 42 -1.333 5.195 8.319 1.00 0.00 C ATOM 655 C THR A 42 -0.345 4.856 7.202 1.00 0.00 C ATOM 656 O THR A 42 -0.630 5.076 6.027 1.00 0.00 O ATOM 657 CB THR A 42 -2.624 4.375 8.076 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.581 4.655 9.091 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.323 2.883 8.072 1.00 0.00 C ATOM 0 H THR A 42 -2.514 6.910 7.999 1.00 0.00 H new ATOM 0 HA THR A 42 -0.908 4.932 9.288 1.00 0.00 H new ATOM 0 HB THR A 42 -3.026 4.660 7.104 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.326 4.022 9.022 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.244 2.326 7.900 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.609 2.658 7.279 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.900 2.595 9.034 1.00 0.00 H new ATOM 667 N HIS A 43 0.829 4.340 7.562 1.00 0.00 N ATOM 668 CA HIS A 43 1.776 3.891 6.551 1.00 0.00 C ATOM 669 C HIS A 43 1.226 2.631 5.876 1.00 0.00 C ATOM 670 O HIS A 43 1.157 1.554 6.471 1.00 0.00 O ATOM 671 CB HIS A 43 3.218 3.693 7.118 1.00 0.00 C ATOM 672 CG HIS A 43 3.381 2.658 8.210 1.00 0.00 C ATOM 673 ND1 HIS A 43 2.470 2.015 8.978 1.00 0.00 N flip ATOM 674 CD2 HIS A 43 4.613 2.191 8.618 1.00 0.00 C flip ATOM 675 CE1 HIS A 43 3.159 1.182 9.821 1.00 0.00 C flip ATOM 676 NE2 HIS A 43 4.451 1.306 9.583 1.00 0.00 N flip ATOM 0 H HIS A 43 1.140 4.225 8.526 1.00 0.00 H new ATOM 0 HA HIS A 43 1.881 4.673 5.799 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.875 3.422 6.291 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.568 4.651 7.502 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.564 2.502 8.210 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.716 0.530 10.560 1.00 0.00 H new ATOM 0 HE2 HIS A 43 5.197 0.803 10.063 1.00 0.00 H new ATOM 685 N LEU A 44 0.820 2.782 4.638 1.00 0.00 N ATOM 686 CA LEU A 44 0.120 1.729 3.903 1.00 0.00 C ATOM 687 C LEU A 44 0.961 0.500 3.634 1.00 0.00 C ATOM 688 O LEU A 44 0.437 -0.518 3.197 1.00 0.00 O ATOM 689 CB LEU A 44 -0.433 2.269 2.596 1.00 0.00 C ATOM 690 CG LEU A 44 -1.500 3.344 2.729 1.00 0.00 C ATOM 691 CD1 LEU A 44 -1.951 3.799 1.363 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.683 2.832 3.540 1.00 0.00 C ATOM 0 H LEU A 44 0.961 3.638 4.101 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.694 1.409 4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.394 2.673 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.849 1.438 2.027 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.071 4.195 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.715 4.569 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.100 4.205 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.364 2.952 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.434 3.617 3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.117 1.965 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.345 2.547 4.536 1.00 0.00 H new ATOM 704 N LYS A 45 2.248 0.569 3.882 1.00 0.00 N ATOM 705 CA LYS A 45 3.105 -0.564 3.663 1.00 0.00 C ATOM 706 C LYS A 45 2.647 -1.742 4.517 1.00 0.00 C ATOM 707 O LYS A 45 2.722 -2.898 4.097 1.00 0.00 O ATOM 708 CB LYS A 45 4.553 -0.184 3.954 1.00 0.00 C ATOM 709 CG LYS A 45 5.553 -1.285 3.673 1.00 0.00 C ATOM 710 CD LYS A 45 5.830 -2.123 4.902 1.00 0.00 C ATOM 711 CE LYS A 45 6.725 -3.283 4.553 1.00 0.00 C ATOM 712 NZ LYS A 45 7.034 -4.129 5.732 1.00 0.00 N ATOM 0 H LYS A 45 2.721 1.400 4.236 1.00 0.00 H new ATOM 0 HA LYS A 45 3.044 -0.871 2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.814 0.690 3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.637 0.109 5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.174 -1.924 2.875 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.485 -0.847 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.301 -1.510 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.892 -2.491 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.245 -3.892 3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.654 -2.907 4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.235 -5.100 5.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.865 -3.746 6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.219 -4.135 6.378 1.00 0.00 H new ATOM 726 N LYS A 46 2.135 -1.441 5.709 1.00 0.00 N ATOM 727 CA LYS A 46 1.639 -2.467 6.609 1.00 0.00 C ATOM 728 C LYS A 46 0.415 -3.169 6.006 1.00 0.00 C ATOM 729 O LYS A 46 0.190 -4.368 6.209 1.00 0.00 O ATOM 730 CB LYS A 46 1.284 -1.866 7.978 1.00 0.00 C ATOM 731 CG LYS A 46 0.686 -2.875 8.948 1.00 0.00 C ATOM 732 CD LYS A 46 1.580 -4.090 9.068 1.00 0.00 C ATOM 733 CE LYS A 46 0.922 -5.207 9.841 1.00 0.00 C ATOM 734 NZ LYS A 46 1.842 -6.357 10.010 1.00 0.00 N ATOM 0 H LYS A 46 2.055 -0.490 6.070 1.00 0.00 H new ATOM 0 HA LYS A 46 2.430 -3.204 6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.182 -1.436 8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.577 -1.049 7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.556 -2.414 9.927 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.303 -3.177 8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.843 -4.446 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.510 -3.808 9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.610 -4.841 10.819 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.021 -5.532 9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.298 -7.243 9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.538 -6.362 9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.337 -6.274 10.921 1.00 0.00 H new ATOM 748 N LEU A 47 -0.344 -2.434 5.231 1.00 0.00 N ATOM 749 CA LEU A 47 -1.528 -2.969 4.611 1.00 0.00 C ATOM 750 C LEU A 47 -1.100 -3.854 3.452 1.00 0.00 C ATOM 751 O LEU A 47 -1.617 -4.952 3.252 1.00 0.00 O ATOM 752 CB LEU A 47 -2.432 -1.811 4.116 1.00 0.00 C ATOM 753 CG LEU A 47 -3.865 -2.169 3.659 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.671 -0.905 3.424 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.862 -3.008 2.390 1.00 0.00 C ATOM 0 H LEU A 47 -0.159 -1.455 5.014 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.101 -3.559 5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.508 -1.077 4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.926 -1.322 3.284 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.321 -2.758 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.678 -1.170 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.725 -0.331 4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.190 -0.305 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.888 -3.238 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.377 -2.452 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.319 -3.936 2.569 1.00 0.00 H new ATOM 767 N LYS A 48 -0.127 -3.376 2.696 1.00 0.00 N ATOM 768 CA LYS A 48 0.368 -4.098 1.545 1.00 0.00 C ATOM 769 C LYS A 48 1.010 -5.417 1.944 1.00 0.00 C ATOM 770 O LYS A 48 0.767 -6.437 1.310 1.00 0.00 O ATOM 771 CB LYS A 48 1.325 -3.241 0.718 1.00 0.00 C ATOM 772 CG LYS A 48 0.623 -2.281 -0.247 1.00 0.00 C ATOM 773 CD LYS A 48 -0.300 -1.320 0.478 1.00 0.00 C ATOM 774 CE LYS A 48 -0.952 -0.342 -0.470 1.00 0.00 C ATOM 775 NZ LYS A 48 0.048 0.484 -1.185 1.00 0.00 N ATOM 0 H LYS A 48 0.337 -2.483 2.864 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.491 -4.332 0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.956 -2.664 1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.984 -3.896 0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.370 -1.715 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.050 -2.854 -0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.070 -1.884 1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.266 -0.773 1.232 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.557 -0.887 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.628 0.307 0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.256 1.479 -1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.970 0.402 -0.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.134 0.153 -2.167 1.00 0.00 H new ATOM 789 N GLU A 49 1.847 -5.415 2.985 1.00 0.00 N ATOM 790 CA GLU A 49 2.426 -6.669 3.466 1.00 0.00 C ATOM 791 C GLU A 49 1.327 -7.618 3.925 1.00 0.00 C ATOM 792 O GLU A 49 1.407 -8.821 3.708 1.00 0.00 O ATOM 793 CB GLU A 49 3.437 -6.440 4.597 1.00 0.00 C ATOM 794 CG GLU A 49 2.859 -5.762 5.818 1.00 0.00 C ATOM 795 CD GLU A 49 3.860 -5.602 6.932 1.00 0.00 C ATOM 796 OE1 GLU A 49 4.719 -4.707 6.838 1.00 0.00 O ATOM 797 OE2 GLU A 49 3.789 -6.366 7.920 1.00 0.00 O ATOM 0 H GLU A 49 2.133 -4.581 3.499 1.00 0.00 H new ATOM 0 HA GLU A 49 2.965 -7.119 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.857 -7.401 4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.261 -5.836 4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.478 -4.781 5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.010 -6.341 6.181 1.00 0.00 H new ATOM 804 N SER A 50 0.280 -7.069 4.546 1.00 0.00 N ATOM 805 CA SER A 50 -0.855 -7.869 4.965 1.00 0.00 C ATOM 806 C SER A 50 -1.505 -8.509 3.732 1.00 0.00 C ATOM 807 O SER A 50 -1.906 -9.676 3.749 1.00 0.00 O ATOM 808 CB SER A 50 -1.866 -6.996 5.726 1.00 0.00 C ATOM 809 OG SER A 50 -2.952 -7.761 6.223 1.00 0.00 O ATOM 0 H SER A 50 0.202 -6.076 4.766 1.00 0.00 H new ATOM 0 HA SER A 50 -0.519 -8.659 5.637 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.364 -6.496 6.554 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.243 -6.216 5.065 1.00 0.00 H new ATOM 0 HG SER A 50 -3.573 -7.174 6.702 1.00 0.00 H new ATOM 815 N TYR A 51 -1.584 -7.738 2.651 1.00 0.00 N ATOM 816 CA TYR A 51 -2.097 -8.222 1.387 1.00 0.00 C ATOM 817 C TYR A 51 -1.195 -9.322 0.843 1.00 0.00 C ATOM 818 O TYR A 51 -1.670 -10.325 0.320 1.00 0.00 O ATOM 819 CB TYR A 51 -2.210 -7.051 0.391 1.00 0.00 C ATOM 820 CG TYR A 51 -1.989 -7.429 -1.055 1.00 0.00 C ATOM 821 CD1 TYR A 51 -3.009 -7.963 -1.827 1.00 0.00 C ATOM 822 CD2 TYR A 51 -0.745 -7.256 -1.639 1.00 0.00 C ATOM 823 CE1 TYR A 51 -2.793 -8.317 -3.146 1.00 0.00 C ATOM 824 CE2 TYR A 51 -0.519 -7.606 -2.951 1.00 0.00 C ATOM 825 CZ TYR A 51 -1.543 -8.136 -3.700 1.00 0.00 C ATOM 826 OH TYR A 51 -1.314 -8.494 -5.007 1.00 0.00 O ATOM 0 H TYR A 51 -1.292 -6.761 2.634 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.091 -8.645 1.535 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.199 -6.603 0.488 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.485 -6.286 0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.987 -8.105 -1.392 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.062 -6.839 -1.055 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.596 -8.732 -3.737 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.458 -7.465 -3.390 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.018 -9.427 -5.043 1.00 0.00 H new ATOM 836 N CYS A 52 0.109 -9.143 0.988 1.00 0.00 N ATOM 837 CA CYS A 52 1.068 -10.125 0.517 1.00 0.00 C ATOM 838 C CYS A 52 0.955 -11.410 1.323 1.00 0.00 C ATOM 839 O CYS A 52 1.102 -12.495 0.792 1.00 0.00 O ATOM 840 CB CYS A 52 2.490 -9.570 0.598 1.00 0.00 C ATOM 841 SG CYS A 52 2.721 -8.003 -0.268 1.00 0.00 S ATOM 0 H CYS A 52 0.526 -8.324 1.430 1.00 0.00 H new ATOM 0 HA CYS A 52 0.844 -10.349 -0.526 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.757 -9.436 1.646 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.180 -10.306 0.185 1.00 0.00 H new ATOM 0 HG CYS A 52 2.090 -7.060 0.366 1.00 0.00 H new ATOM 847 N GLN A 53 0.675 -11.284 2.615 1.00 0.00 N ATOM 848 CA GLN A 53 0.512 -12.450 3.481 1.00 0.00 C ATOM 849 C GLN A 53 -0.775 -13.197 3.143 1.00 0.00 C ATOM 850 O GLN A 53 -0.799 -14.426 3.065 1.00 0.00 O ATOM 851 CB GLN A 53 0.508 -12.031 4.955 1.00 0.00 C ATOM 852 CG GLN A 53 1.793 -11.358 5.416 1.00 0.00 C ATOM 853 CD GLN A 53 3.001 -12.271 5.331 1.00 0.00 C ATOM 854 OE1 GLN A 53 3.321 -12.979 6.279 1.00 0.00 O ATOM 855 NE2 GLN A 53 3.679 -12.257 4.199 1.00 0.00 N ATOM 0 H GLN A 53 0.556 -10.388 3.087 1.00 0.00 H new ATOM 0 HA GLN A 53 1.356 -13.118 3.311 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.326 -11.351 5.125 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.332 -12.913 5.571 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.971 -10.471 4.808 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.671 -11.020 6.445 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.380 -11.653 3.433 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.502 -12.850 4.090 1.00 0.00 H new ATOM 864 N ARG A 54 -1.848 -12.449 2.917 1.00 0.00 N ATOM 865 CA ARG A 54 -3.137 -13.043 2.578 1.00 0.00 C ATOM 866 C ARG A 54 -3.084 -13.702 1.193 1.00 0.00 C ATOM 867 O ARG A 54 -3.695 -14.743 0.960 1.00 0.00 O ATOM 868 CB ARG A 54 -4.255 -11.989 2.628 1.00 0.00 C ATOM 869 CG ARG A 54 -5.606 -12.508 2.160 1.00 0.00 C ATOM 870 CD ARG A 54 -6.689 -11.441 2.229 1.00 0.00 C ATOM 871 NE ARG A 54 -7.904 -11.873 1.538 1.00 0.00 N ATOM 872 CZ ARG A 54 -9.046 -11.185 1.476 1.00 0.00 C ATOM 873 NH1 ARG A 54 -9.181 -10.032 2.124 1.00 0.00 N ATOM 874 NH2 ARG A 54 -10.059 -11.666 0.774 1.00 0.00 N ATOM 0 H ARG A 54 -1.852 -11.430 2.962 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.358 -13.812 3.318 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.351 -11.622 3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.968 -11.138 2.009 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.519 -12.869 1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.898 -13.360 2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.920 -11.220 3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.322 -10.517 1.781 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.876 -12.776 1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.407 -9.664 2.676 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.059 -9.516 2.069 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.964 -12.556 0.285 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.935 -11.147 0.721 1.00 0.00 H new ATOM 888 N GLN A 55 -2.329 -13.102 0.287 1.00 0.00 N ATOM 889 CA GLN A 55 -2.198 -13.613 -1.083 1.00 0.00 C ATOM 890 C GLN A 55 -1.042 -14.609 -1.186 1.00 0.00 C ATOM 891 O GLN A 55 -0.876 -15.298 -2.193 1.00 0.00 O ATOM 892 CB GLN A 55 -1.990 -12.445 -2.054 1.00 0.00 C ATOM 893 CG GLN A 55 -3.276 -11.734 -2.509 1.00 0.00 C ATOM 894 CD GLN A 55 -4.387 -11.733 -1.475 1.00 0.00 C ATOM 895 OE1 GLN A 55 -5.227 -12.626 -1.449 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.395 -10.731 -0.619 1.00 0.00 N ATOM 0 H GLN A 55 -1.791 -12.255 0.470 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.116 -14.138 -1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.337 -11.712 -1.581 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.467 -12.815 -2.936 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.035 -10.703 -2.768 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.641 -12.214 -3.417 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.678 -10.008 -0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.118 -10.679 0.098 1.00 0.00 H new ATOM 905 N GLY A 56 -0.246 -14.669 -0.135 1.00 0.00 N ATOM 906 CA GLY A 56 0.888 -15.574 -0.083 1.00 0.00 C ATOM 907 C GLY A 56 1.954 -15.230 -1.110 1.00 0.00 C ATOM 908 O GLY A 56 2.516 -16.113 -1.759 1.00 0.00 O ATOM 0 H GLY A 56 -0.365 -14.097 0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.326 -15.545 0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.543 -16.594 -0.250 1.00 0.00 H new ATOM 912 N VAL A 57 2.229 -13.948 -1.273 1.00 0.00 N ATOM 913 CA VAL A 57 3.238 -13.496 -2.222 1.00 0.00 C ATOM 914 C VAL A 57 4.326 -12.680 -1.552 1.00 0.00 C ATOM 915 O VAL A 57 4.072 -11.940 -0.602 1.00 0.00 O ATOM 916 CB VAL A 57 2.642 -12.672 -3.388 1.00 0.00 C ATOM 917 CG1 VAL A 57 2.127 -13.589 -4.480 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.542 -11.745 -2.895 1.00 0.00 C ATOM 0 H VAL A 57 1.767 -13.197 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 57 3.671 -14.410 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 57 3.436 -12.054 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.712 -12.991 -5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.947 -14.198 -4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.351 -14.238 -4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.141 -11.178 -3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.745 -12.335 -2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.951 -11.057 -2.155 1.00 0.00 H new ATOM 928 N PRO A 58 5.560 -12.825 -2.040 1.00 0.00 N ATOM 929 CA PRO A 58 6.711 -12.074 -1.539 1.00 0.00 C ATOM 930 C PRO A 58 6.640 -10.591 -1.915 1.00 0.00 C ATOM 931 O PRO A 58 6.270 -10.228 -3.039 1.00 0.00 O ATOM 932 CB PRO A 58 7.897 -12.737 -2.242 1.00 0.00 C ATOM 933 CG PRO A 58 7.312 -13.340 -3.476 1.00 0.00 C ATOM 934 CD PRO A 58 5.933 -13.766 -3.110 1.00 0.00 C ATOM 0 HA PRO A 58 6.771 -12.096 -0.451 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.672 -12.009 -2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.359 -13.496 -1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.294 -12.618 -4.292 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.906 -14.189 -3.815 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.253 -13.700 -3.959 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.910 -14.799 -2.763 1.00 0.00 H new ATOM 942 N MET A 59 7.036 -9.739 -0.985 1.00 0.00 N ATOM 943 CA MET A 59 7.013 -8.293 -1.173 1.00 0.00 C ATOM 944 C MET A 59 8.037 -7.844 -2.222 1.00 0.00 C ATOM 945 O MET A 59 7.902 -6.791 -2.837 1.00 0.00 O ATOM 946 CB MET A 59 7.276 -7.571 0.159 1.00 0.00 C ATOM 947 CG MET A 59 8.620 -7.898 0.796 1.00 0.00 C ATOM 948 SD MET A 59 8.706 -9.581 1.449 1.00 0.00 S ATOM 949 CE MET A 59 10.360 -9.582 2.133 1.00 0.00 C ATOM 0 H MET A 59 7.385 -10.030 -0.072 1.00 0.00 H new ATOM 0 HA MET A 59 6.020 -8.027 -1.534 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.218 -6.495 -0.007 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.483 -7.828 0.861 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.409 -7.761 0.056 1.00 0.00 H new ATOM 0 HG3 MET A 59 8.814 -7.191 1.603 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.570 -10.555 2.577 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.081 -9.381 1.341 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.438 -8.810 2.899 1.00 0.00 H new ATOM 959 N ASN A 60 9.064 -8.649 -2.416 1.00 0.00 N ATOM 960 CA ASN A 60 10.118 -8.348 -3.391 1.00 0.00 C ATOM 961 C ASN A 60 9.686 -8.662 -4.824 1.00 0.00 C ATOM 962 O ASN A 60 10.342 -8.263 -5.786 1.00 0.00 O ATOM 963 CB ASN A 60 11.406 -9.116 -3.050 1.00 0.00 C ATOM 964 CG ASN A 60 11.159 -10.587 -2.755 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.107 -11.419 -3.656 1.00 0.00 O ATOM 966 ND2 ASN A 60 11.038 -10.917 -1.481 1.00 0.00 N ATOM 0 H ASN A 60 9.199 -9.525 -1.912 1.00 0.00 H new ATOM 0 HA ASN A 60 10.310 -7.277 -3.331 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.105 -9.030 -3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.881 -8.652 -2.185 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.896 -11.892 -1.218 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.087 -10.196 -0.761 1.00 0.00 H new ATOM 973 N SER A 61 8.596 -9.384 -4.975 1.00 0.00 N ATOM 974 CA SER A 61 8.119 -9.756 -6.294 1.00 0.00 C ATOM 975 C SER A 61 6.957 -8.869 -6.746 1.00 0.00 C ATOM 976 O SER A 61 6.684 -8.733 -7.936 1.00 0.00 O ATOM 977 CB SER A 61 7.688 -11.221 -6.282 1.00 0.00 C ATOM 978 OG SER A 61 7.471 -11.717 -7.584 1.00 0.00 O ATOM 0 H SER A 61 8.023 -9.726 -4.203 1.00 0.00 H new ATOM 0 HA SER A 61 8.934 -9.615 -7.004 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.453 -11.820 -5.788 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.774 -11.326 -5.697 1.00 0.00 H new ATOM 0 HG SER A 61 7.198 -12.657 -7.535 1.00 0.00 H new ATOM 984 N LEU A 62 6.282 -8.247 -5.813 1.00 0.00 N ATOM 985 CA LEU A 62 5.131 -7.454 -6.159 1.00 0.00 C ATOM 986 C LEU A 62 5.394 -5.943 -5.954 1.00 0.00 C ATOM 987 O LEU A 62 6.312 -5.546 -5.239 1.00 0.00 O ATOM 988 CB LEU A 62 3.869 -8.003 -5.418 1.00 0.00 C ATOM 989 CG LEU A 62 3.430 -7.355 -4.100 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.591 -7.142 -3.166 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.669 -6.084 -4.365 1.00 0.00 C ATOM 0 H LEU A 62 6.506 -8.273 -4.818 1.00 0.00 H new ATOM 0 HA LEU A 62 4.927 -7.548 -7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.029 -7.939 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.040 -9.061 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 62 2.755 -8.044 -3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.237 -6.681 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.054 -8.102 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.324 -6.489 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.365 -5.638 -3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.306 -5.385 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.784 -6.307 -4.961 1.00 0.00 H new ATOM 1003 N ARG A 63 4.598 -5.118 -6.605 1.00 0.00 N ATOM 1004 CA ARG A 63 4.767 -3.668 -6.545 1.00 0.00 C ATOM 1005 C ARG A 63 3.451 -2.952 -6.232 1.00 0.00 C ATOM 1006 O ARG A 63 2.390 -3.316 -6.744 1.00 0.00 O ATOM 1007 CB ARG A 63 5.314 -3.164 -7.874 1.00 0.00 C ATOM 1008 CG ARG A 63 4.403 -3.477 -9.046 1.00 0.00 C ATOM 1009 CD ARG A 63 4.954 -2.948 -10.342 1.00 0.00 C ATOM 1010 NE ARG A 63 6.164 -3.654 -10.763 1.00 0.00 N ATOM 1011 CZ ARG A 63 6.771 -3.460 -11.936 1.00 0.00 C ATOM 1012 NH1 ARG A 63 6.282 -2.575 -12.798 1.00 0.00 N ATOM 1013 NH2 ARG A 63 7.861 -4.155 -12.248 1.00 0.00 N ATOM 0 H ARG A 63 3.819 -5.425 -7.188 1.00 0.00 H new ATOM 0 HA ARG A 63 5.467 -3.448 -5.739 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.463 -2.086 -7.814 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.292 -3.611 -8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.268 -4.556 -9.123 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.419 -3.044 -8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.195 -3.037 -11.120 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.175 -1.886 -10.233 1.00 0.00 H new ATOM 0 HE ARG A 63 6.568 -4.336 -10.121 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.443 -2.044 -12.563 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.745 -2.426 -13.694 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.236 -4.839 -11.590 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.322 -4.004 -13.145 1.00 0.00 H new ATOM 1027 N PHE A 64 3.521 -1.941 -5.374 1.00 0.00 N ATOM 1028 CA PHE A 64 2.352 -1.135 -5.028 1.00 0.00 C ATOM 1029 C PHE A 64 2.568 0.319 -5.397 1.00 0.00 C ATOM 1030 O PHE A 64 3.430 0.990 -4.832 1.00 0.00 O ATOM 1031 CB PHE A 64 2.033 -1.231 -3.529 1.00 0.00 C ATOM 1032 CG PHE A 64 3.040 -2.007 -2.732 1.00 0.00 C ATOM 1033 CD1 PHE A 64 4.152 -1.387 -2.182 1.00 0.00 C ATOM 1034 CD2 PHE A 64 2.867 -3.357 -2.532 1.00 0.00 C ATOM 1035 CE1 PHE A 64 5.072 -2.114 -1.448 1.00 0.00 C ATOM 1036 CE2 PHE A 64 3.774 -4.091 -1.805 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.881 -3.471 -1.258 1.00 0.00 C ATOM 0 H PHE A 64 4.379 -1.657 -4.902 1.00 0.00 H new ATOM 0 HA PHE A 64 1.510 -1.531 -5.596 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.961 -0.223 -3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.054 -1.695 -3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.301 -0.327 -2.328 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.003 -3.849 -2.954 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.936 -1.624 -1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.621 -5.151 -1.662 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.595 -4.044 -0.684 1.00 0.00 H new ATOM 1047 N LEU A 65 1.796 0.812 -6.338 1.00 0.00 N ATOM 1048 CA LEU A 65 1.904 2.196 -6.757 1.00 0.00 C ATOM 1049 C LEU A 65 0.548 2.899 -6.821 1.00 0.00 C ATOM 1050 O LEU A 65 -0.505 2.263 -6.863 1.00 0.00 O ATOM 1051 CB LEU A 65 2.668 2.308 -8.096 1.00 0.00 C ATOM 1052 CG LEU A 65 2.382 1.223 -9.147 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.969 1.333 -9.683 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.392 1.305 -10.279 1.00 0.00 C ATOM 0 H LEU A 65 1.083 0.275 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 65 2.481 2.717 -5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.440 3.278 -8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.736 2.299 -7.880 1.00 0.00 H new ATOM 0 HG LEU A 65 2.477 0.251 -8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.799 0.552 -10.424 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.259 1.217 -8.864 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.831 2.309 -10.147 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.177 0.531 -11.015 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.328 2.284 -10.753 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.396 1.159 -9.882 1.00 0.00 H new ATOM 1066 N PHE A 66 0.590 4.216 -6.787 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.595 5.047 -6.880 1.00 0.00 C ATOM 1068 C PHE A 66 -0.253 6.301 -7.647 1.00 0.00 C ATOM 1069 O PHE A 66 0.685 7.002 -7.297 1.00 0.00 O ATOM 1070 CB PHE A 66 -1.125 5.418 -5.490 1.00 0.00 C ATOM 1071 CG PHE A 66 -2.247 6.418 -5.532 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.512 6.034 -5.925 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -2.030 7.749 -5.189 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.542 6.946 -5.977 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -3.061 8.666 -5.237 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.319 8.262 -5.633 1.00 0.00 C ATOM 0 H PHE A 66 1.457 4.745 -6.693 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.375 4.488 -7.397 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.470 4.515 -4.987 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.308 5.823 -4.893 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.697 5.005 -6.195 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.045 8.068 -4.882 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.527 6.630 -6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.883 9.696 -4.965 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.128 8.976 -5.673 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.993 6.573 -8.704 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.744 7.732 -9.564 1.00 0.00 C ATOM 1088 C GLU A 67 0.676 7.709 -10.132 1.00 0.00 C ATOM 1089 O GLU A 67 1.237 8.742 -10.493 1.00 0.00 O ATOM 1090 CB GLU A 67 -0.998 9.046 -8.811 1.00 0.00 C ATOM 1091 CG GLU A 67 -2.463 9.314 -8.532 1.00 0.00 C ATOM 1092 CD GLU A 67 -3.300 9.284 -9.788 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -3.315 10.293 -10.523 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -3.938 8.245 -10.056 1.00 0.00 O ATOM 0 H GLU A 67 -1.786 6.002 -8.998 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.444 7.674 -10.398 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.455 9.024 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.591 9.873 -9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.839 8.570 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.567 10.287 -8.052 1.00 0.00 H new ATOM 1101 N GLY A 68 1.251 6.521 -10.210 1.00 0.00 N ATOM 1102 CA GLY A 68 2.564 6.361 -10.796 1.00 0.00 C ATOM 1103 C GLY A 68 3.687 6.454 -9.782 1.00 0.00 C ATOM 1104 O GLY A 68 4.855 6.527 -10.151 1.00 0.00 O ATOM 0 H GLY A 68 0.827 5.656 -9.874 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.615 5.395 -11.298 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.709 7.125 -11.560 1.00 0.00 H new ATOM 1108 N GLN A 69 3.354 6.444 -8.504 1.00 0.00 N ATOM 1109 CA GLN A 69 4.371 6.523 -7.475 1.00 0.00 C ATOM 1110 C GLN A 69 4.290 5.313 -6.574 1.00 0.00 C ATOM 1111 O GLN A 69 3.202 4.896 -6.163 1.00 0.00 O ATOM 1112 CB GLN A 69 4.210 7.810 -6.666 1.00 0.00 C ATOM 1113 CG GLN A 69 3.024 7.815 -5.728 1.00 0.00 C ATOM 1114 CD GLN A 69 2.724 9.187 -5.175 1.00 0.00 C ATOM 1115 OE1 GLN A 69 3.627 9.988 -4.932 1.00 0.00 O ATOM 1116 NE2 GLN A 69 1.449 9.483 -5.010 1.00 0.00 N ATOM 0 H GLN A 69 2.397 6.383 -8.157 1.00 0.00 H new ATOM 0 HA GLN A 69 5.353 6.538 -7.949 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.117 7.975 -6.085 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.116 8.649 -7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.147 7.441 -6.256 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.216 7.129 -4.903 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.733 8.789 -5.224 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.180 10.406 -4.669 1.00 0.00 H new ATOM 1125 N ARG A 70 5.424 4.718 -6.289 1.00 0.00 N ATOM 1126 CA ARG A 70 5.463 3.555 -5.434 1.00 0.00 C ATOM 1127 C ARG A 70 5.145 3.936 -3.998 1.00 0.00 C ATOM 1128 O ARG A 70 5.579 4.981 -3.488 1.00 0.00 O ATOM 1129 CB ARG A 70 6.819 2.841 -5.519 1.00 0.00 C ATOM 1130 CG ARG A 70 7.974 3.592 -4.876 1.00 0.00 C ATOM 1131 CD ARG A 70 9.268 2.814 -5.009 1.00 0.00 C ATOM 1132 NE ARG A 70 10.352 3.407 -4.227 1.00 0.00 N ATOM 1133 CZ ARG A 70 11.647 3.219 -4.475 1.00 0.00 C ATOM 1134 NH1 ARG A 70 12.030 2.468 -5.504 1.00 0.00 N ATOM 1135 NH2 ARG A 70 12.556 3.774 -3.690 1.00 0.00 N ATOM 0 H ARG A 70 6.334 5.021 -6.637 1.00 0.00 H new ATOM 0 HA ARG A 70 4.701 2.859 -5.785 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.730 1.864 -5.045 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.057 2.666 -6.568 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.083 4.570 -5.346 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.757 3.767 -3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.107 1.786 -4.683 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.559 2.774 -6.059 1.00 0.00 H new ATOM 0 HE ARG A 70 10.100 4.004 -3.439 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.331 2.034 -6.107 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.023 2.327 -5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.265 4.345 -2.896 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.548 3.631 -3.878 1.00 0.00 H new ATOM 1149 N ILE A 71 4.356 3.121 -3.350 1.00 0.00 N ATOM 1150 CA ILE A 71 3.996 3.374 -1.986 1.00 0.00 C ATOM 1151 C ILE A 71 5.119 2.934 -1.067 1.00 0.00 C ATOM 1152 O ILE A 71 5.279 1.750 -0.779 1.00 0.00 O ATOM 1153 CB ILE A 71 2.690 2.652 -1.598 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.657 2.748 -2.736 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.125 3.253 -0.322 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.276 4.161 -3.121 1.00 0.00 C ATOM 0 H ILE A 71 3.951 2.274 -3.749 1.00 0.00 H new ATOM 0 HA ILE A 71 3.830 4.446 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 71 2.913 1.599 -1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.055 2.240 -3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.756 2.211 -2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.203 2.738 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.850 3.142 0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.917 4.311 -0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.545 4.133 -3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.845 4.669 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.164 4.699 -3.453 1.00 0.00 H new ATOM 1168 N ALA A 72 5.913 3.900 -0.633 1.00 0.00 N ATOM 1169 CA ALA A 72 7.037 3.661 0.254 1.00 0.00 C ATOM 1170 C ALA A 72 6.582 3.113 1.593 1.00 0.00 C ATOM 1171 O ALA A 72 5.399 3.195 1.952 1.00 0.00 O ATOM 1172 CB ALA A 72 7.808 4.952 0.463 1.00 0.00 C ATOM 0 H ALA A 72 5.793 4.880 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 72 7.682 2.916 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.651 4.769 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.176 5.315 -0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.151 5.700 0.906 1.00 0.00 H new ATOM 1178 N ASP A 73 7.531 2.587 2.351 1.00 0.00 N ATOM 1179 CA ASP A 73 7.259 2.016 3.665 1.00 0.00 C ATOM 1180 C ASP A 73 6.689 3.066 4.601 1.00 0.00 C ATOM 1181 O ASP A 73 5.884 2.767 5.480 1.00 0.00 O ATOM 1182 CB ASP A 73 8.541 1.428 4.273 1.00 0.00 C ATOM 1183 CG ASP A 73 9.545 2.497 4.670 1.00 0.00 C ATOM 1184 OD1 ASP A 73 10.208 3.054 3.773 1.00 0.00 O ATOM 1185 OD2 ASP A 73 9.667 2.784 5.883 1.00 0.00 O ATOM 0 H ASP A 73 8.512 2.543 2.075 1.00 0.00 H new ATOM 0 HA ASP A 73 6.525 1.220 3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.283 0.834 5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.002 0.751 3.554 1.00 0.00 H new ATOM 1190 N ASN A 74 7.085 4.306 4.388 1.00 0.00 N ATOM 1191 CA ASN A 74 6.673 5.406 5.234 1.00 0.00 C ATOM 1192 C ASN A 74 5.650 6.287 4.531 1.00 0.00 C ATOM 1193 O ASN A 74 5.400 7.421 4.938 1.00 0.00 O ATOM 1194 CB ASN A 74 7.899 6.237 5.643 1.00 0.00 C ATOM 1195 CG ASN A 74 8.702 6.738 4.446 1.00 0.00 C ATOM 1196 OD1 ASN A 74 8.434 7.811 3.903 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.693 5.962 4.027 1.00 0.00 N ATOM 0 H ASN A 74 7.702 4.578 3.623 1.00 0.00 H new ATOM 0 HA ASN A 74 6.203 4.994 6.127 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.572 7.090 6.237 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.545 5.633 6.281 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.262 6.247 3.230 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.886 5.080 4.502 1.00 0.00 H new ATOM 1204 N HIS A 75 5.039 5.774 3.472 1.00 0.00 N ATOM 1205 CA HIS A 75 4.047 6.547 2.748 1.00 0.00 C ATOM 1206 C HIS A 75 2.669 6.378 3.348 1.00 0.00 C ATOM 1207 O HIS A 75 2.267 5.278 3.736 1.00 0.00 O ATOM 1208 CB HIS A 75 4.034 6.201 1.266 1.00 0.00 C ATOM 1209 CG HIS A 75 4.839 7.147 0.435 1.00 0.00 C ATOM 1210 ND1 HIS A 75 5.021 6.995 -0.923 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.495 8.286 0.771 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.748 7.991 -1.378 1.00 0.00 C ATOM 1213 NE2 HIS A 75 6.049 8.784 -0.373 1.00 0.00 N ATOM 0 H HIS A 75 5.211 4.839 3.101 1.00 0.00 H new ATOM 0 HA HIS A 75 4.331 7.595 2.842 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.420 5.190 1.132 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.004 6.199 0.909 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.566 8.718 1.758 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.048 8.134 -2.406 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.607 9.635 -0.438 1.00 0.00 H new ATOM 1222 N THR A 76 1.938 7.470 3.406 1.00 0.00 N ATOM 1223 CA THR A 76 0.629 7.497 4.013 1.00 0.00 C ATOM 1224 C THR A 76 -0.374 8.120 3.058 1.00 0.00 C ATOM 1225 O THR A 76 0.021 8.769 2.079 1.00 0.00 O ATOM 1226 CB THR A 76 0.671 8.353 5.292 1.00 0.00 C ATOM 1227 OG1 THR A 76 1.021 9.694 4.951 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.702 7.828 6.244 1.00 0.00 C ATOM 0 H THR A 76 2.239 8.369 3.030 1.00 0.00 H new ATOM 0 HA THR A 76 0.334 6.475 4.249 1.00 0.00 H new ATOM 0 HB THR A 76 -0.311 8.317 5.763 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.515 10.102 5.693 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.717 8.446 7.142 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.458 6.801 6.515 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.683 7.855 5.769 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.684 7.936 3.310 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.726 8.563 2.506 1.00 0.00 C ATOM 1238 C PRO A 77 -2.615 10.078 2.532 1.00 0.00 C ATOM 1239 O PRO A 77 -2.914 10.753 1.542 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.035 8.110 3.167 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.643 7.596 4.509 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.250 7.074 4.361 1.00 0.00 C ATOM 0 HA PRO A 77 -2.658 8.277 1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.739 8.938 3.254 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.525 7.335 2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.685 8.387 5.257 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.321 6.809 4.839 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.689 7.151 5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.241 6.024 4.070 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.159 10.622 3.663 1.00 0.00 N ATOM 1251 CA LYS A 78 -2.006 12.055 3.800 1.00 0.00 C ATOM 1252 C LYS A 78 -0.784 12.537 3.035 1.00 0.00 C ATOM 1253 O LYS A 78 -0.759 13.650 2.519 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.902 12.464 5.285 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.597 12.067 5.976 1.00 0.00 C ATOM 1256 CD LYS A 78 0.120 13.274 6.575 1.00 0.00 C ATOM 1257 CE LYS A 78 0.784 14.124 5.502 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.436 15.327 6.068 1.00 0.00 N ATOM 0 H LYS A 78 -1.893 10.086 4.489 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.893 12.528 3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.019 13.545 5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.734 12.016 5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.809 11.343 6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.059 11.575 5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.594 13.882 7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.872 12.934 7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.526 13.525 4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.038 14.428 4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.875 15.877 5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.725 15.913 6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.166 15.038 6.749 1.00 0.00 H new ATOM 1272 N GLU A 79 0.235 11.692 2.946 1.00 0.00 N ATOM 1273 CA GLU A 79 1.467 12.076 2.292 1.00 0.00 C ATOM 1274 C GLU A 79 1.326 11.994 0.782 1.00 0.00 C ATOM 1275 O GLU A 79 1.801 12.857 0.043 1.00 0.00 O ATOM 1276 CB GLU A 79 2.615 11.194 2.758 1.00 0.00 C ATOM 1277 CG GLU A 79 3.968 11.851 2.606 1.00 0.00 C ATOM 1278 CD GLU A 79 3.997 13.245 3.195 1.00 0.00 C ATOM 1279 OE1 GLU A 79 4.148 13.376 4.418 1.00 0.00 O ATOM 1280 OE2 GLU A 79 3.878 14.220 2.428 1.00 0.00 O ATOM 0 H GLU A 79 0.228 10.742 3.318 1.00 0.00 H new ATOM 0 HA GLU A 79 1.685 13.109 2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.461 10.931 3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.604 10.264 2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.725 11.237 3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.230 11.900 1.549 1.00 0.00 H new ATOM 1287 N LEU A 80 0.675 10.949 0.324 1.00 0.00 N ATOM 1288 CA LEU A 80 0.454 10.727 -1.095 1.00 0.00 C ATOM 1289 C LEU A 80 -0.665 11.608 -1.634 1.00 0.00 C ATOM 1290 O LEU A 80 -0.864 11.711 -2.851 1.00 0.00 O ATOM 1291 CB LEU A 80 0.133 9.262 -1.326 1.00 0.00 C ATOM 1292 CG LEU A 80 1.255 8.303 -0.955 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.749 6.889 -0.883 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.379 8.407 -1.957 1.00 0.00 C ATOM 0 H LEU A 80 0.281 10.224 0.924 1.00 0.00 H new ATOM 0 HA LEU A 80 1.363 10.995 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.755 9.003 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.117 9.119 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 80 1.632 8.580 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.569 6.222 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.034 6.821 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.345 6.597 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.177 7.717 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.006 8.154 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.767 9.426 -1.964 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.398 12.245 -0.730 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.487 13.112 -1.132 1.00 0.00 C ATOM 1308 C GLY A 81 -3.592 12.348 -1.826 1.00 0.00 C ATOM 1309 O GLY A 81 -3.951 12.644 -2.966 1.00 0.00 O ATOM 0 H GLY A 81 -1.257 12.176 0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.891 13.617 -0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.107 13.886 -1.799 1.00 0.00 H new ATOM 1313 N MET A 82 -4.112 11.341 -1.162 1.00 0.00 N ATOM 1314 CA MET A 82 -5.182 10.534 -1.712 1.00 0.00 C ATOM 1315 C MET A 82 -6.524 10.893 -1.088 1.00 0.00 C ATOM 1316 O MET A 82 -6.591 11.543 -0.038 1.00 0.00 O ATOM 1317 CB MET A 82 -4.885 9.050 -1.490 1.00 0.00 C ATOM 1318 CG MET A 82 -3.600 8.594 -2.143 1.00 0.00 C ATOM 1319 SD MET A 82 -3.336 6.818 -2.042 1.00 0.00 S ATOM 1320 CE MET A 82 -3.014 6.626 -0.309 1.00 0.00 C ATOM 0 H MET A 82 -3.809 11.058 -0.230 1.00 0.00 H new ATOM 0 HA MET A 82 -5.241 10.737 -2.781 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.830 8.854 -0.419 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.713 8.458 -1.881 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.608 8.893 -3.191 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.761 9.106 -1.672 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.743 5.591 -0.102 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.194 7.281 -0.017 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.907 6.888 0.258 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.592 10.471 -1.734 1.00 0.00 N ATOM 1331 CA GLU A 83 -8.933 10.694 -1.228 1.00 0.00 C ATOM 1332 C GLU A 83 -9.451 9.398 -0.636 1.00 0.00 C ATOM 1333 O GLU A 83 -8.853 8.339 -0.837 1.00 0.00 O ATOM 1334 CB GLU A 83 -9.881 11.186 -2.332 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.678 12.640 -2.760 1.00 0.00 C ATOM 1336 CD GLU A 83 -8.404 12.868 -3.547 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -8.285 12.320 -4.657 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -7.531 13.623 -3.072 1.00 0.00 O ATOM 0 H GLU A 83 -7.557 9.966 -2.620 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.894 11.471 -0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.760 10.546 -3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.908 11.065 -1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.529 12.955 -3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.665 13.273 -1.873 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.546 9.454 0.093 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.075 8.251 0.700 1.00 0.00 C ATOM 1347 C GLU A 84 -11.796 7.380 -0.325 1.00 0.00 C ATOM 1348 O GLU A 84 -12.343 7.874 -1.315 1.00 0.00 O ATOM 1349 CB GLU A 84 -11.950 8.567 1.928 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.183 9.416 1.657 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.409 8.581 1.349 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.833 7.798 2.223 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.962 8.715 0.243 1.00 0.00 O ATOM 0 H GLU A 84 -11.079 10.304 0.278 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.230 7.669 1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.270 7.626 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.335 9.078 2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.385 10.045 2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.983 10.084 0.819 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.733 6.070 -0.099 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.326 5.055 -0.973 1.00 0.00 C ATOM 1362 C GLU A 85 -11.558 4.963 -2.294 1.00 0.00 C ATOM 1363 O GLU A 85 -12.014 4.351 -3.263 1.00 0.00 O ATOM 1364 CB GLU A 85 -13.826 5.315 -1.213 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.573 4.111 -1.779 1.00 0.00 C ATOM 1366 CD GLU A 85 -16.067 4.320 -1.865 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.538 4.887 -2.873 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -16.783 3.899 -0.935 1.00 0.00 O ATOM 0 H GLU A 85 -11.259 5.674 0.713 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.246 4.093 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.290 5.610 -0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.935 6.155 -1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.187 3.887 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.370 3.240 -1.155 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.373 5.565 -2.329 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.537 5.528 -3.521 1.00 0.00 C ATOM 1377 C ASP A 86 -8.977 4.132 -3.733 1.00 0.00 C ATOM 1378 O ASP A 86 -9.142 3.238 -2.884 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.397 6.540 -3.430 1.00 0.00 C ATOM 1380 CG ASP A 86 -8.096 7.184 -4.769 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.725 6.463 -5.727 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -8.246 8.416 -4.875 1.00 0.00 O ATOM 0 H ASP A 86 -9.972 6.083 -1.547 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.162 5.795 -4.374 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.656 7.313 -2.707 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.501 6.043 -3.058 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.293 3.932 -4.838 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.774 2.629 -5.160 1.00 0.00 C ATOM 1389 C VAL A 87 -6.279 2.679 -5.452 1.00 0.00 C ATOM 1390 O VAL A 87 -5.792 3.544 -6.185 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.535 1.967 -6.354 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.033 1.989 -6.113 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.206 2.644 -7.677 1.00 0.00 C ATOM 0 H VAL A 87 -8.086 4.656 -5.525 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.935 2.009 -4.278 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.202 0.931 -6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.544 1.524 -6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.263 1.439 -5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.370 3.020 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.754 2.155 -8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.492 3.695 -7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.136 2.568 -7.869 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.552 1.774 -4.843 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.129 1.648 -5.078 1.00 0.00 C ATOM 1405 C ILE A 88 -3.907 0.504 -6.050 1.00 0.00 C ATOM 1406 O ILE A 88 -4.555 -0.537 -5.941 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.331 1.393 -3.750 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.155 2.694 -2.944 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -1.967 0.767 -4.032 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.445 3.295 -2.432 1.00 0.00 C ATOM 0 H ILE A 88 -5.927 1.104 -4.171 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.758 2.585 -5.493 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.917 0.693 -3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.500 2.495 -2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.650 3.429 -3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.440 0.603 -3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.103 -0.186 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.383 1.437 -4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.226 4.207 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.096 3.530 -3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.944 2.582 -1.776 1.00 0.00 H new ATOM 1422 N GLU A 89 -2.989 0.675 -6.978 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.765 -0.318 -8.007 1.00 0.00 C ATOM 1424 C GLU A 89 -1.593 -1.211 -7.618 1.00 0.00 C ATOM 1425 O GLU A 89 -0.512 -0.726 -7.245 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.483 0.370 -9.339 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.413 -0.573 -10.519 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.775 -1.017 -10.995 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -4.379 -0.301 -11.835 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -4.248 -2.077 -10.554 1.00 0.00 O ATOM 0 H GLU A 89 -2.385 1.494 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.658 -0.934 -8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.261 1.110 -9.525 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.540 0.911 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.889 -0.083 -11.339 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.826 -1.449 -10.244 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.797 -2.505 -7.675 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.773 -3.450 -7.306 1.00 0.00 C ATOM 1439 C VAL A 90 -0.553 -4.503 -8.389 1.00 0.00 C ATOM 1440 O VAL A 90 -1.500 -5.069 -8.946 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.114 -4.146 -5.955 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.359 -5.453 -5.810 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -0.787 -3.230 -4.788 1.00 0.00 C ATOM 0 H VAL A 90 -2.673 -2.930 -7.977 1.00 0.00 H new ATOM 0 HA VAL A 90 0.151 -2.884 -7.191 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.183 -4.361 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.616 -5.918 -4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.631 -6.123 -6.626 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.713 -5.259 -5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.031 -3.732 -3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.275 -2.987 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.370 -2.313 -4.871 1.00 0.00 H new ATOM 1453 N TYR A 91 0.703 -4.762 -8.687 1.00 0.00 N ATOM 1454 CA TYR A 91 1.072 -5.782 -9.639 1.00 0.00 C ATOM 1455 C TYR A 91 1.976 -6.784 -8.963 1.00 0.00 C ATOM 1456 O TYR A 91 2.681 -6.448 -8.018 1.00 0.00 O ATOM 1457 CB TYR A 91 1.767 -5.182 -10.857 1.00 0.00 C ATOM 1458 CG TYR A 91 0.936 -4.164 -11.593 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -0.076 -4.560 -12.456 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.157 -2.806 -11.423 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.840 -3.633 -13.130 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.399 -1.872 -12.094 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.598 -2.289 -12.946 1.00 0.00 C ATOM 1464 OH TYR A 91 -1.353 -1.355 -13.620 1.00 0.00 O ATOM 0 H TYR A 91 1.495 -4.270 -8.274 1.00 0.00 H new ATOM 0 HA TYR A 91 0.166 -6.277 -9.989 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.698 -4.714 -10.538 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.033 -5.985 -11.544 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.268 -5.613 -12.602 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.937 -2.475 -10.753 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.624 -3.958 -13.798 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.586 -0.818 -11.952 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.053 -0.454 -13.376 1.00 0.00 H new ATOM 1474 N GLN A 92 1.957 -8.010 -9.421 1.00 0.00 N ATOM 1475 CA GLN A 92 2.748 -9.052 -8.806 1.00 0.00 C ATOM 1476 C GLN A 92 3.510 -9.880 -9.840 1.00 0.00 C ATOM 1477 O GLN A 92 2.941 -10.361 -10.825 1.00 0.00 O ATOM 1478 CB GLN A 92 1.853 -9.955 -7.948 1.00 0.00 C ATOM 1479 CG GLN A 92 0.757 -10.677 -8.733 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.169 -11.486 -7.849 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -0.420 -10.999 -6.649 1.00 0.00 O flip ATOM 1482 NE2 GLN A 92 -0.680 -12.526 -8.256 1.00 0.00 N flip ATOM 0 H GLN A 92 1.401 -8.314 -10.220 1.00 0.00 H new ATOM 0 HA GLN A 92 3.490 -8.571 -8.169 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.476 -10.697 -7.449 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.389 -9.352 -7.168 1.00 0.00 H new ATOM 0 HG2 GLN A 92 0.172 -9.944 -9.288 1.00 0.00 H new ATOM 0 HG3 GLN A 92 1.219 -11.338 -9.467 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.461 -12.870 -9.191 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.324 -13.045 -7.659 1.00 0.00 H new