USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 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 180:sc= 0.166 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.772 K(o=-0.61,f=1) USER MOD Single : A 23 LYS NZ :NH3+ 136:sc= 0.479 (180deg=-0.025) USER MOD Single : A 25 LYS NZ :NH3+ 138:sc= 1.04 (180deg=-0.137) USER MOD Single : A 29 GLN : amide:sc= -5.28! C(o=-5.3!,f=-12!) 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= -1.57 K(o=0.48,f=-12!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 150:sc= -2.01! (180deg=-3.75!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= -0.109 K(o=-0.11,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ 156:sc= 1.38 (180deg=-0.33) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0428) USER MOD Single : A 48 LYS NZ :NH3+ -109:sc= -0.3 (180deg=-2.44!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 45:sc= -0.124 USER MOD Single : A 53 GLN : amide:sc= 0.0464 X(o=0.046,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.21 K(o=-0.21,f=-1) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.049) USER MOD Single : A 61 SER OG : rot -157:sc= -0.841 USER MOD Single : A 69 GLN : amide:sc= -0.97 X(o=-0.97,f=-1.1) USER MOD Single : A 74 ASN : amide:sc= 1.16 K(o=1.2,f=-0.021) USER MOD Single : A 75 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-6.4!) USER MOD Single : A 76 THR OG1 : rot -140:sc= -3.17! USER MOD Single : A 78 LYS NZ :NH3+ 127:sc= 1.19 (180deg=-0.558) USER MOD Single : A 82 MET CE :methyl 174:sc= -4.87 (180deg=-5.09!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -10.243 7.523 7.024 1.00 0.00 N ATOM 312 CA ILE A 22 -10.258 7.387 5.590 1.00 0.00 C ATOM 313 C ILE A 22 -10.077 5.925 5.227 1.00 0.00 C ATOM 314 O ILE A 22 -9.356 5.214 5.878 1.00 0.00 O ATOM 315 CB ILE A 22 -9.142 8.267 4.925 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.681 7.680 3.582 1.00 0.00 C ATOM 317 CG2 ILE A 22 -7.956 8.453 5.869 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.672 8.539 2.851 1.00 0.00 C ATOM 0 HA ILE A 22 -11.217 7.739 5.211 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.578 9.246 4.725 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.247 6.696 3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.551 7.535 2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.197 9.067 5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.291 8.945 6.782 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.532 7.480 6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.396 8.057 1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.109 9.516 2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.784 8.663 3.470 1.00 0.00 H new ATOM 330 N LYS A 23 -10.762 5.464 4.227 1.00 0.00 N ATOM 331 CA LYS A 23 -10.623 4.087 3.810 1.00 0.00 C ATOM 332 C LYS A 23 -9.981 4.027 2.446 1.00 0.00 C ATOM 333 O LYS A 23 -10.082 4.964 1.673 1.00 0.00 O ATOM 334 CB LYS A 23 -11.975 3.379 3.810 1.00 0.00 C ATOM 335 CG LYS A 23 -13.033 4.085 2.997 1.00 0.00 C ATOM 336 CD LYS A 23 -14.360 3.372 3.091 1.00 0.00 C ATOM 337 CE LYS A 23 -15.425 4.123 2.331 1.00 0.00 C ATOM 338 NZ LYS A 23 -16.746 3.457 2.418 1.00 0.00 N ATOM 0 H LYS A 23 -11.424 6.013 3.679 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.980 3.568 4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.846 2.369 3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.324 3.283 4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.142 5.110 3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.719 4.138 1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.265 2.362 2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.653 3.275 4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.504 5.137 2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.131 4.209 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.483 4.169 2.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.948 2.968 1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.736 2.766 3.195 1.00 0.00 H new ATOM 352 N LEU A 24 -9.291 2.954 2.161 1.00 0.00 N ATOM 353 CA LEU A 24 -8.628 2.798 0.873 1.00 0.00 C ATOM 354 C LEU A 24 -8.811 1.404 0.321 1.00 0.00 C ATOM 355 O LEU A 24 -8.923 0.432 1.070 1.00 0.00 O ATOM 356 CB LEU A 24 -7.140 3.108 0.998 1.00 0.00 C ATOM 357 CG LEU A 24 -6.783 4.572 1.213 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.298 4.717 1.456 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.211 5.400 0.010 1.00 0.00 C ATOM 0 H LEU A 24 -9.168 2.168 2.799 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.088 3.504 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.736 2.530 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.639 2.760 0.095 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.314 4.939 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.055 5.769 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.017 4.148 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.750 4.339 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.950 6.445 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.701 5.036 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.289 5.313 -0.127 1.00 0.00 H new ATOM 371 N LYS A 25 -8.842 1.296 -0.992 1.00 0.00 N ATOM 372 CA LYS A 25 -8.964 0.022 -1.635 1.00 0.00 C ATOM 373 C LYS A 25 -7.756 -0.264 -2.487 1.00 0.00 C ATOM 374 O LYS A 25 -7.326 0.556 -3.298 1.00 0.00 O ATOM 375 CB LYS A 25 -10.273 -0.074 -2.440 1.00 0.00 C ATOM 376 CG LYS A 25 -10.357 -1.248 -3.439 1.00 0.00 C ATOM 377 CD LYS A 25 -9.834 -0.856 -4.815 1.00 0.00 C ATOM 378 CE LYS A 25 -10.432 -1.709 -5.923 1.00 0.00 C ATOM 379 NZ LYS A 25 -11.909 -1.573 -6.017 1.00 0.00 N ATOM 0 H LYS A 25 -8.783 2.088 -1.632 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.009 -0.747 -0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.104 -0.156 -1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.410 0.858 -2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.782 -2.092 -3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.392 -1.580 -3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.063 0.193 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.748 -0.953 -4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.984 -1.427 -6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.178 -2.754 -5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.189 -1.515 -7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.362 -2.400 -5.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.210 -0.709 -5.522 1.00 0.00 H new ATOM 393 N VAL A 26 -7.194 -1.412 -2.284 1.00 0.00 N ATOM 394 CA VAL A 26 -6.063 -1.847 -3.045 1.00 0.00 C ATOM 395 C VAL A 26 -6.530 -2.835 -4.093 1.00 0.00 C ATOM 396 O VAL A 26 -7.280 -3.764 -3.787 1.00 0.00 O ATOM 397 CB VAL A 26 -4.991 -2.491 -2.135 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.856 -3.072 -2.959 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.459 -1.468 -1.147 1.00 0.00 C ATOM 0 H VAL A 26 -7.508 -2.081 -1.581 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.605 -0.984 -3.528 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.457 -3.306 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.116 -3.519 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.248 -3.835 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.388 -2.280 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.705 -1.933 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.012 -0.636 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.277 -1.100 -0.528 1.00 0.00 H new ATOM 409 N ILE A 27 -6.126 -2.623 -5.324 1.00 0.00 N ATOM 410 CA ILE A 27 -6.536 -3.479 -6.406 1.00 0.00 C ATOM 411 C ILE A 27 -5.315 -4.022 -7.141 1.00 0.00 C ATOM 412 O ILE A 27 -4.261 -3.395 -7.165 1.00 0.00 O ATOM 413 CB ILE A 27 -7.465 -2.728 -7.399 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.110 -3.708 -8.384 1.00 0.00 C ATOM 415 CG2 ILE A 27 -6.704 -1.633 -8.144 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.026 -3.054 -9.391 1.00 0.00 C ATOM 0 H ILE A 27 -5.509 -1.859 -5.599 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.097 -4.311 -5.981 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.257 -2.251 -6.822 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.323 -4.242 -8.917 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.676 -4.452 -7.823 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.379 -1.124 -8.832 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.307 -0.914 -7.427 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.882 -2.078 -8.705 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.443 -3.814 -10.052 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.836 -2.544 -8.869 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.462 -2.331 -9.980 1.00 0.00 H new ATOM 428 N GLY A 28 -5.451 -5.189 -7.729 1.00 0.00 N ATOM 429 CA GLY A 28 -4.362 -5.774 -8.459 1.00 0.00 C ATOM 430 C GLY A 28 -4.830 -6.342 -9.766 1.00 0.00 C ATOM 431 O GLY A 28 -6.028 -6.550 -9.961 1.00 0.00 O ATOM 0 H GLY A 28 -6.305 -5.747 -7.713 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.596 -5.020 -8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.901 -6.561 -7.862 1.00 0.00 H new ATOM 435 N GLN A 29 -3.896 -6.618 -10.675 1.00 0.00 N ATOM 436 CA GLN A 29 -4.239 -7.185 -11.986 1.00 0.00 C ATOM 437 C GLN A 29 -4.901 -8.554 -11.825 1.00 0.00 C ATOM 438 O GLN A 29 -5.533 -9.068 -12.736 1.00 0.00 O ATOM 439 CB GLN A 29 -2.998 -7.300 -12.894 1.00 0.00 C ATOM 440 CG GLN A 29 -2.055 -8.457 -12.562 1.00 0.00 C ATOM 441 CD GLN A 29 -1.190 -8.193 -11.353 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.116 -7.648 -11.468 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.642 -8.609 -10.192 1.00 0.00 N ATOM 0 H GLN A 29 -2.898 -6.460 -10.532 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.945 -6.504 -12.463 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.331 -7.408 -13.926 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.437 -6.367 -12.836 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.643 -9.358 -12.390 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.415 -8.654 -13.422 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.553 -9.065 -10.133 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.082 -8.476 -9.350 1.00 0.00 H new ATOM 452 N ASP A 30 -4.767 -9.126 -10.637 1.00 0.00 N ATOM 453 CA ASP A 30 -5.331 -10.431 -10.315 1.00 0.00 C ATOM 454 C ASP A 30 -6.825 -10.296 -9.981 1.00 0.00 C ATOM 455 O ASP A 30 -7.458 -11.229 -9.497 1.00 0.00 O ATOM 456 CB ASP A 30 -4.559 -11.017 -9.116 1.00 0.00 C ATOM 457 CG ASP A 30 -4.802 -12.496 -8.894 1.00 0.00 C ATOM 458 OD1 ASP A 30 -4.322 -13.305 -9.709 1.00 0.00 O ATOM 459 OD2 ASP A 30 -5.438 -12.855 -7.884 1.00 0.00 O ATOM 0 H ASP A 30 -4.261 -8.695 -9.863 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.237 -11.098 -11.172 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.492 -10.853 -9.268 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.840 -10.473 -8.214 1.00 0.00 H new ATOM 464 N SER A 31 -7.381 -9.099 -10.244 1.00 0.00 N ATOM 465 CA SER A 31 -8.793 -8.785 -9.982 1.00 0.00 C ATOM 466 C SER A 31 -9.082 -8.778 -8.485 1.00 0.00 C ATOM 467 O SER A 31 -10.233 -8.841 -8.048 1.00 0.00 O ATOM 468 CB SER A 31 -9.720 -9.763 -10.718 1.00 0.00 C ATOM 469 OG SER A 31 -9.519 -9.689 -12.123 1.00 0.00 O ATOM 0 H SER A 31 -6.859 -8.321 -10.646 1.00 0.00 H new ATOM 0 HA SER A 31 -8.991 -7.784 -10.366 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.532 -10.779 -10.372 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.759 -9.533 -10.482 1.00 0.00 H new ATOM 0 HG SER A 31 -10.118 -10.321 -12.573 1.00 0.00 H new ATOM 475 N SER A 32 -8.032 -8.684 -7.698 1.00 0.00 N ATOM 476 CA SER A 32 -8.160 -8.659 -6.266 1.00 0.00 C ATOM 477 C SER A 32 -8.373 -7.233 -5.772 1.00 0.00 C ATOM 478 O SER A 32 -7.695 -6.303 -6.213 1.00 0.00 O ATOM 479 CB SER A 32 -6.914 -9.273 -5.616 1.00 0.00 C ATOM 480 OG SER A 32 -7.084 -9.431 -4.218 1.00 0.00 O ATOM 0 H SER A 32 -7.071 -8.623 -8.036 1.00 0.00 H new ATOM 0 HA SER A 32 -9.030 -9.251 -5.983 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.705 -10.242 -6.070 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.050 -8.637 -5.809 1.00 0.00 H new ATOM 0 HG SER A 32 -6.274 -9.826 -3.833 1.00 0.00 H new ATOM 486 N GLU A 33 -9.335 -7.064 -4.887 1.00 0.00 N ATOM 487 CA GLU A 33 -9.604 -5.776 -4.296 1.00 0.00 C ATOM 488 C GLU A 33 -9.866 -5.908 -2.815 1.00 0.00 C ATOM 489 O GLU A 33 -10.607 -6.787 -2.369 1.00 0.00 O ATOM 490 CB GLU A 33 -10.757 -5.048 -4.983 1.00 0.00 C ATOM 491 CG GLU A 33 -12.124 -5.662 -4.790 1.00 0.00 C ATOM 492 CD GLU A 33 -13.219 -4.693 -5.159 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.179 -3.530 -4.680 1.00 0.00 O ATOM 494 OE2 GLU A 33 -14.130 -5.075 -5.913 1.00 0.00 O ATOM 0 H GLU A 33 -9.947 -7.813 -4.561 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.710 -5.170 -4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.784 -4.022 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.548 -5.000 -6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.210 -6.561 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.243 -5.970 -3.751 1.00 0.00 H new ATOM 501 N ILE A 34 -9.246 -5.047 -2.050 1.00 0.00 N ATOM 502 CA ILE A 34 -9.391 -5.053 -0.613 1.00 0.00 C ATOM 503 C ILE A 34 -9.640 -3.651 -0.103 1.00 0.00 C ATOM 504 O ILE A 34 -8.916 -2.717 -0.440 1.00 0.00 O ATOM 505 CB ILE A 34 -8.137 -5.633 0.076 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.867 -5.017 -0.530 1.00 0.00 C ATOM 507 CG2 ILE A 34 -8.119 -7.153 -0.034 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.582 -5.498 0.098 1.00 0.00 C ATOM 0 H ILE A 34 -8.625 -4.320 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.244 -5.687 -0.372 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.168 -5.377 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.842 -5.241 -1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.921 -3.933 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.228 -7.543 0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.007 -7.563 0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.109 -7.442 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.736 -5.014 -0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.581 -5.250 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.500 -6.578 -0.022 1.00 0.00 H new ATOM 520 N HIS A 35 -10.677 -3.490 0.686 1.00 0.00 N ATOM 521 CA HIS A 35 -11.012 -2.188 1.244 1.00 0.00 C ATOM 522 C HIS A 35 -10.651 -2.157 2.720 1.00 0.00 C ATOM 523 O HIS A 35 -11.155 -2.957 3.510 1.00 0.00 O ATOM 524 CB HIS A 35 -12.506 -1.872 1.055 1.00 0.00 C ATOM 525 CG HIS A 35 -12.946 -1.761 -0.384 1.00 0.00 C ATOM 526 ND1 HIS A 35 -13.689 -0.707 -0.867 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.779 -2.604 -1.436 1.00 0.00 C ATOM 528 CE1 HIS A 35 -13.965 -0.913 -2.139 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.424 -2.055 -2.505 1.00 0.00 N ATOM 0 H HIS A 35 -11.308 -4.243 0.960 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.439 -1.427 0.715 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -13.093 -2.650 1.542 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.733 -0.936 1.564 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.235 -3.537 -1.427 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.539 -0.255 -2.774 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.478 -2.464 -3.438 1.00 0.00 H new ATOM 538 N PHE A 36 -9.774 -1.258 3.094 1.00 0.00 N ATOM 539 CA PHE A 36 -9.329 -1.167 4.480 1.00 0.00 C ATOM 540 C PHE A 36 -9.496 0.229 5.039 1.00 0.00 C ATOM 541 O PHE A 36 -9.479 1.217 4.302 1.00 0.00 O ATOM 542 CB PHE A 36 -7.873 -1.606 4.622 1.00 0.00 C ATOM 543 CG PHE A 36 -7.673 -3.089 4.566 1.00 0.00 C ATOM 544 CD1 PHE A 36 -7.904 -3.868 5.685 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.252 -3.705 3.404 1.00 0.00 C ATOM 546 CE1 PHE A 36 -7.720 -5.233 5.647 1.00 0.00 C ATOM 547 CE2 PHE A 36 -7.064 -5.071 3.359 1.00 0.00 C ATOM 548 CZ PHE A 36 -7.299 -5.836 4.483 1.00 0.00 C ATOM 0 H PHE A 36 -9.349 -0.576 2.466 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.963 -1.842 5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.286 -1.141 3.830 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.483 -1.233 5.569 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.233 -3.400 6.601 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.068 -3.111 2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.906 -5.829 6.528 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.733 -5.541 2.445 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.153 -6.906 4.450 1.00 0.00 H new ATOM 558 N LYS A 37 -9.650 0.307 6.347 1.00 0.00 N ATOM 559 CA LYS A 37 -9.786 1.572 7.035 1.00 0.00 C ATOM 560 C LYS A 37 -8.425 2.048 7.525 1.00 0.00 C ATOM 561 O LYS A 37 -7.693 1.309 8.191 1.00 0.00 O ATOM 562 CB LYS A 37 -10.737 1.439 8.222 1.00 0.00 C ATOM 563 CG LYS A 37 -11.015 2.757 8.935 1.00 0.00 C ATOM 564 CD LYS A 37 -11.711 2.543 10.271 1.00 0.00 C ATOM 565 CE LYS A 37 -10.796 1.848 11.273 1.00 0.00 C ATOM 566 NZ LYS A 37 -11.436 1.700 12.603 1.00 0.00 N ATOM 0 H LYS A 37 -9.684 -0.507 6.961 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.195 2.300 6.335 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.681 1.018 7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.316 0.732 8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.077 3.288 9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.635 3.390 8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.030 3.504 10.674 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.610 1.945 10.122 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.522 0.864 10.892 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.873 2.418 11.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.779 1.223 13.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.675 2.639 12.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.303 1.134 12.510 1.00 0.00 H new ATOM 580 N VAL A 38 -8.086 3.271 7.201 1.00 0.00 N ATOM 581 CA VAL A 38 -6.821 3.858 7.590 1.00 0.00 C ATOM 582 C VAL A 38 -7.040 5.261 8.168 1.00 0.00 C ATOM 583 O VAL A 38 -8.161 5.782 8.170 1.00 0.00 O ATOM 584 CB VAL A 38 -5.837 3.939 6.378 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.436 2.549 5.906 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.442 4.732 5.225 1.00 0.00 C ATOM 0 H VAL A 38 -8.682 3.894 6.656 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.379 3.216 8.352 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.943 4.461 6.719 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.751 2.635 5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.944 2.016 6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.325 1.999 5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.733 4.770 4.398 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.361 4.248 4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.665 5.746 5.558 1.00 0.00 H new ATOM 622 N MET A 40 -4.774 9.229 8.704 1.00 0.00 N ATOM 623 CA MET A 40 -4.031 10.125 7.826 1.00 0.00 C ATOM 624 C MET A 40 -2.592 9.673 7.677 1.00 0.00 C ATOM 625 O MET A 40 -2.006 9.758 6.603 1.00 0.00 O ATOM 626 CB MET A 40 -4.055 11.565 8.346 1.00 0.00 C ATOM 627 CG MET A 40 -5.323 12.348 8.037 1.00 0.00 C ATOM 628 SD MET A 40 -5.338 13.095 6.377 1.00 0.00 S ATOM 629 CE MET A 40 -5.563 11.667 5.314 1.00 0.00 C ATOM 0 HA MET A 40 -4.520 10.093 6.853 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.914 11.546 9.427 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.205 12.101 7.923 1.00 0.00 H new ATOM 0 HG2 MET A 40 -6.182 11.684 8.134 1.00 0.00 H new ATOM 0 HG3 MET A 40 -5.443 13.136 8.781 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.101 11.965 4.414 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.589 11.262 5.037 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.135 10.906 5.844 1.00 0.00 H new ATOM 639 N THR A 41 -2.030 9.154 8.744 1.00 0.00 N ATOM 640 CA THR A 41 -0.631 8.813 8.774 1.00 0.00 C ATOM 641 C THR A 41 -0.391 7.303 8.876 1.00 0.00 C ATOM 642 O THR A 41 0.656 6.856 9.353 1.00 0.00 O ATOM 643 CB THR A 41 0.030 9.535 9.950 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.797 9.383 11.123 1.00 0.00 O ATOM 645 CG2 THR A 41 0.178 11.015 9.628 1.00 0.00 C ATOM 0 H THR A 41 -2.529 8.958 9.611 1.00 0.00 H new ATOM 0 HA THR A 41 -0.188 9.133 7.831 1.00 0.00 H new ATOM 0 HB THR A 41 1.015 9.106 10.132 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.378 9.842 11.881 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.649 11.525 10.468 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.797 11.134 8.738 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.806 11.448 9.446 1.00 0.00 H new ATOM 653 N THR A 42 -1.340 6.512 8.401 1.00 0.00 N ATOM 654 CA THR A 42 -1.196 5.065 8.427 1.00 0.00 C ATOM 655 C THR A 42 -0.166 4.610 7.407 1.00 0.00 C ATOM 656 O THR A 42 -0.242 4.969 6.227 1.00 0.00 O ATOM 657 CB THR A 42 -2.533 4.355 8.120 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.531 4.772 9.049 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.377 2.843 8.195 1.00 0.00 C ATOM 0 H THR A 42 -2.214 6.845 7.995 1.00 0.00 H new ATOM 0 HA THR A 42 -0.871 4.798 9.433 1.00 0.00 H new ATOM 0 HB THR A 42 -2.835 4.626 7.108 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.376 4.319 8.847 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.333 2.367 7.975 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.633 2.517 7.468 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.053 2.560 9.196 1.00 0.00 H new ATOM 667 N HIS A 43 0.815 3.833 7.853 1.00 0.00 N ATOM 668 CA HIS A 43 1.794 3.274 6.943 1.00 0.00 C ATOM 669 C HIS A 43 1.124 2.259 6.073 1.00 0.00 C ATOM 670 O HIS A 43 0.752 1.175 6.526 1.00 0.00 O ATOM 671 CB HIS A 43 2.968 2.635 7.684 1.00 0.00 C ATOM 672 CG HIS A 43 3.917 3.623 8.261 1.00 0.00 C ATOM 673 ND1 HIS A 43 5.284 3.490 8.186 1.00 0.00 N ATOM 674 CD2 HIS A 43 3.688 4.755 8.947 1.00 0.00 C ATOM 675 CE1 HIS A 43 5.855 4.498 8.812 1.00 0.00 C ATOM 676 NE2 HIS A 43 4.910 5.285 9.288 1.00 0.00 N ATOM 0 H HIS A 43 0.949 3.580 8.832 1.00 0.00 H new ATOM 0 HA HIS A 43 2.199 4.085 6.337 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.581 2.005 8.485 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.508 1.983 6.998 1.00 0.00 H new ATOM 0 HD1 HIS A 43 5.778 2.730 7.719 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.721 5.172 9.187 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.918 4.654 8.918 1.00 0.00 H new ATOM 685 N LEU A 44 0.960 2.600 4.828 1.00 0.00 N ATOM 686 CA LEU A 44 0.266 1.743 3.886 1.00 0.00 C ATOM 687 C LEU A 44 1.006 0.443 3.647 1.00 0.00 C ATOM 688 O LEU A 44 0.423 -0.532 3.169 1.00 0.00 O ATOM 689 CB LEU A 44 0.019 2.477 2.584 1.00 0.00 C ATOM 690 CG LEU A 44 -0.979 3.622 2.673 1.00 0.00 C ATOM 691 CD1 LEU A 44 -0.978 4.424 1.393 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.375 3.094 2.970 1.00 0.00 C ATOM 0 H LEU A 44 1.299 3.475 4.429 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.697 1.483 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.968 2.869 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.336 1.762 1.842 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.679 4.277 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.697 5.239 1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.017 4.834 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.253 3.778 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.074 3.928 3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.685 2.417 2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.367 2.558 3.919 1.00 0.00 H new ATOM 704 N LYS A 45 2.291 0.428 3.971 1.00 0.00 N ATOM 705 CA LYS A 45 3.096 -0.760 3.876 1.00 0.00 C ATOM 706 C LYS A 45 2.454 -1.897 4.662 1.00 0.00 C ATOM 707 O LYS A 45 2.399 -3.024 4.193 1.00 0.00 O ATOM 708 CB LYS A 45 4.499 -0.453 4.408 1.00 0.00 C ATOM 709 CG LYS A 45 5.454 -1.634 4.426 1.00 0.00 C ATOM 710 CD LYS A 45 5.368 -2.434 3.147 1.00 0.00 C ATOM 711 CE LYS A 45 6.527 -3.392 3.005 1.00 0.00 C ATOM 712 NZ LYS A 45 6.733 -4.240 4.215 1.00 0.00 N ATOM 0 H LYS A 45 2.797 1.247 4.307 1.00 0.00 H new ATOM 0 HA LYS A 45 3.169 -1.074 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.936 0.339 3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.409 -0.063 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.474 -1.276 4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.223 -2.277 5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.432 -2.991 3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.351 -1.755 2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.356 -4.035 2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.437 -2.826 2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.229 -5.114 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.303 -3.719 4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.811 -4.480 4.632 1.00 0.00 H new ATOM 726 N LYS A 46 1.921 -1.575 5.837 1.00 0.00 N ATOM 727 CA LYS A 46 1.283 -2.564 6.700 1.00 0.00 C ATOM 728 C LYS A 46 0.080 -3.195 5.992 1.00 0.00 C ATOM 729 O LYS A 46 -0.163 -4.394 6.098 1.00 0.00 O ATOM 730 CB LYS A 46 0.854 -1.898 8.034 1.00 0.00 C ATOM 731 CG LYS A 46 0.359 -2.858 9.129 1.00 0.00 C ATOM 732 CD LYS A 46 -1.061 -3.354 8.876 1.00 0.00 C ATOM 733 CE LYS A 46 -1.519 -4.315 9.961 1.00 0.00 C ATOM 734 NZ LYS A 46 -1.722 -3.630 11.263 1.00 0.00 N ATOM 0 H LYS A 46 1.919 -0.628 6.216 1.00 0.00 H new ATOM 0 HA LYS A 46 1.996 -3.358 6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.700 -1.334 8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.063 -1.179 7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.033 -3.713 9.190 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.397 -2.353 10.094 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.742 -2.504 8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.107 -3.850 7.907 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.450 -4.792 9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.779 -5.107 10.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.146 -4.294 11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.806 -3.299 11.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.357 -2.817 11.132 1.00 0.00 H new ATOM 748 N LEU A 47 -0.648 -2.387 5.234 1.00 0.00 N ATOM 749 CA LEU A 47 -1.824 -2.859 4.533 1.00 0.00 C ATOM 750 C LEU A 47 -1.385 -3.768 3.400 1.00 0.00 C ATOM 751 O LEU A 47 -1.865 -4.892 3.246 1.00 0.00 O ATOM 752 CB LEU A 47 -2.614 -1.648 3.981 1.00 0.00 C ATOM 753 CG LEU A 47 -4.031 -1.914 3.418 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.725 -0.601 3.110 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.990 -2.772 2.160 1.00 0.00 C ATOM 0 H LEU A 47 -0.440 -1.399 5.091 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.471 -3.416 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.703 -0.912 4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.019 -1.190 3.191 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.587 -2.458 4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.721 -0.800 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.808 -0.011 4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.145 -0.048 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.005 -2.935 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.407 -2.264 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.528 -3.732 2.389 1.00 0.00 H new ATOM 767 N LYS A 48 -0.458 -3.269 2.610 1.00 0.00 N ATOM 768 CA LYS A 48 0.038 -3.985 1.460 1.00 0.00 C ATOM 769 C LYS A 48 0.694 -5.305 1.849 1.00 0.00 C ATOM 770 O LYS A 48 0.391 -6.341 1.269 1.00 0.00 O ATOM 771 CB LYS A 48 0.994 -3.113 0.650 1.00 0.00 C ATOM 772 CG LYS A 48 0.303 -2.111 -0.288 1.00 0.00 C ATOM 773 CD LYS A 48 -0.643 -1.179 0.450 1.00 0.00 C ATOM 774 CE LYS A 48 -1.091 -0.034 -0.432 1.00 0.00 C ATOM 775 NZ LYS A 48 -2.136 0.802 0.221 1.00 0.00 N ATOM 0 H LYS A 48 -0.028 -2.354 2.749 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.819 -4.228 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.636 -2.564 1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.641 -3.759 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.060 -1.521 -0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.252 -2.656 -1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.514 -1.738 0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.148 -0.784 1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.232 0.589 -0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.479 -0.430 -1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.050 0.645 -0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.214 0.540 1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.875 1.806 0.145 1.00 0.00 H new ATOM 789 N GLU A 49 1.583 -5.288 2.839 1.00 0.00 N ATOM 790 CA GLU A 49 2.244 -6.520 3.270 1.00 0.00 C ATOM 791 C GLU A 49 1.246 -7.497 3.860 1.00 0.00 C ATOM 792 O GLU A 49 1.423 -8.708 3.762 1.00 0.00 O ATOM 793 CB GLU A 49 3.369 -6.244 4.267 1.00 0.00 C ATOM 794 CG GLU A 49 2.918 -5.609 5.565 1.00 0.00 C ATOM 795 CD GLU A 49 4.076 -5.287 6.467 1.00 0.00 C ATOM 796 OE1 GLU A 49 4.879 -4.405 6.112 1.00 0.00 O ATOM 797 OE2 GLU A 49 4.198 -5.918 7.537 1.00 0.00 O ATOM 0 H GLU A 49 1.860 -4.451 3.351 1.00 0.00 H new ATOM 0 HA GLU A 49 2.689 -6.970 2.382 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.875 -7.183 4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.104 -5.592 3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.363 -4.696 5.348 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.234 -6.284 6.080 1.00 0.00 H new ATOM 804 N SER A 50 0.192 -6.982 4.476 1.00 0.00 N ATOM 805 CA SER A 50 -0.837 -7.831 5.031 1.00 0.00 C ATOM 806 C SER A 50 -1.508 -8.609 3.895 1.00 0.00 C ATOM 807 O SER A 50 -1.770 -9.810 4.005 1.00 0.00 O ATOM 808 CB SER A 50 -1.866 -6.995 5.803 1.00 0.00 C ATOM 809 OG SER A 50 -2.707 -7.814 6.594 1.00 0.00 O ATOM 0 H SER A 50 0.032 -5.982 4.601 1.00 0.00 H new ATOM 0 HA SER A 50 -0.390 -8.535 5.733 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.350 -6.278 6.441 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.470 -6.420 5.101 1.00 0.00 H new ATOM 0 HG SER A 50 -3.351 -7.253 7.075 1.00 0.00 H new ATOM 815 N TYR A 51 -1.751 -7.917 2.786 1.00 0.00 N ATOM 816 CA TYR A 51 -2.313 -8.529 1.591 1.00 0.00 C ATOM 817 C TYR A 51 -1.310 -9.484 0.966 1.00 0.00 C ATOM 818 O TYR A 51 -1.681 -10.535 0.449 1.00 0.00 O ATOM 819 CB TYR A 51 -2.738 -7.433 0.586 1.00 0.00 C ATOM 820 CG TYR A 51 -2.301 -7.669 -0.856 1.00 0.00 C ATOM 821 CD1 TYR A 51 -3.047 -8.465 -1.719 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.137 -7.091 -1.347 1.00 0.00 C ATOM 823 CE1 TYR A 51 -2.640 -8.677 -3.025 1.00 0.00 C ATOM 824 CE2 TYR A 51 -0.726 -7.299 -2.644 1.00 0.00 C ATOM 825 CZ TYR A 51 -1.477 -8.089 -3.479 1.00 0.00 C ATOM 826 OH TYR A 51 -1.054 -8.301 -4.771 1.00 0.00 O ATOM 0 H TYR A 51 -1.564 -6.919 2.692 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.198 -9.103 1.866 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.824 -7.343 0.609 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.331 -6.479 0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.958 -8.925 -1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.542 -6.466 -0.698 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.228 -9.298 -3.684 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.184 -6.842 -3.004 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.218 -7.813 -4.926 1.00 0.00 H new ATOM 836 N CYS A 52 -0.031 -9.143 1.030 1.00 0.00 N ATOM 837 CA CYS A 52 0.997 -9.989 0.456 1.00 0.00 C ATOM 838 C CYS A 52 1.081 -11.296 1.219 1.00 0.00 C ATOM 839 O CYS A 52 1.106 -12.360 0.632 1.00 0.00 O ATOM 840 CB CYS A 52 2.356 -9.289 0.470 1.00 0.00 C ATOM 841 SG CYS A 52 2.374 -7.687 -0.358 1.00 0.00 S ATOM 0 H CYS A 52 0.315 -8.291 1.471 1.00 0.00 H new ATOM 0 HA CYS A 52 0.729 -10.193 -0.580 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.671 -9.154 1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.091 -9.939 -0.005 1.00 0.00 H new ATOM 0 HG CYS A 52 1.328 -7.003 -0.002 1.00 0.00 H new ATOM 847 N GLN A 53 1.093 -11.209 2.540 1.00 0.00 N ATOM 848 CA GLN A 53 1.173 -12.391 3.389 1.00 0.00 C ATOM 849 C GLN A 53 -0.091 -13.223 3.271 1.00 0.00 C ATOM 850 O GLN A 53 -0.040 -14.450 3.224 1.00 0.00 O ATOM 851 CB GLN A 53 1.397 -11.991 4.842 1.00 0.00 C ATOM 852 CG GLN A 53 2.683 -11.229 5.078 1.00 0.00 C ATOM 853 CD GLN A 53 2.796 -10.720 6.495 1.00 0.00 C ATOM 854 OE1 GLN A 53 3.332 -11.399 7.374 1.00 0.00 O ATOM 855 NE2 GLN A 53 2.290 -9.530 6.730 1.00 0.00 N ATOM 0 H GLN A 53 1.048 -10.328 3.051 1.00 0.00 H new ATOM 0 HA GLN A 53 2.019 -12.991 3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.558 -11.379 5.173 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.400 -12.889 5.459 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.532 -11.876 4.858 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.736 -10.388 4.387 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.855 -9.002 5.973 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.332 -9.134 7.669 1.00 0.00 H new ATOM 864 N ARG A 54 -1.235 -12.552 3.220 1.00 0.00 N ATOM 865 CA ARG A 54 -2.516 -13.229 3.071 1.00 0.00 C ATOM 866 C ARG A 54 -2.567 -14.009 1.757 1.00 0.00 C ATOM 867 O ARG A 54 -3.071 -15.132 1.700 1.00 0.00 O ATOM 868 CB ARG A 54 -3.664 -12.212 3.130 1.00 0.00 C ATOM 869 CG ARG A 54 -5.037 -12.819 2.902 1.00 0.00 C ATOM 870 CD ARG A 54 -5.336 -13.886 3.926 1.00 0.00 C ATOM 871 NE ARG A 54 -6.502 -14.679 3.560 1.00 0.00 N ATOM 872 CZ ARG A 54 -6.509 -16.009 3.477 1.00 0.00 C ATOM 873 NH1 ARG A 54 -5.397 -16.699 3.711 1.00 0.00 N ATOM 874 NH2 ARG A 54 -7.621 -16.646 3.151 1.00 0.00 N ATOM 0 H ARG A 54 -1.301 -11.536 3.280 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.628 -13.935 3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.652 -11.721 4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.490 -11.439 2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.796 -12.039 2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.087 -13.247 1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.471 -14.540 4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.504 -13.420 4.897 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.370 -14.184 3.354 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.535 -16.210 3.955 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.405 -17.717 3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.474 -16.119 2.963 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.626 -17.664 3.088 1.00 0.00 H new ATOM 888 N GLN A 55 -2.038 -13.411 0.707 1.00 0.00 N ATOM 889 CA GLN A 55 -2.004 -14.033 -0.614 1.00 0.00 C ATOM 890 C GLN A 55 -0.783 -14.947 -0.730 1.00 0.00 C ATOM 891 O GLN A 55 -0.647 -15.732 -1.669 1.00 0.00 O ATOM 892 CB GLN A 55 -1.977 -12.945 -1.692 1.00 0.00 C ATOM 893 CG GLN A 55 -3.354 -12.362 -2.060 1.00 0.00 C ATOM 894 CD GLN A 55 -4.346 -12.310 -0.904 1.00 0.00 C ATOM 895 OE1 GLN A 55 -5.087 -13.261 -0.663 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.371 -11.202 -0.196 1.00 0.00 N ATOM 0 H GLN A 55 -1.619 -12.482 0.739 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.898 -14.640 -0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.334 -12.133 -1.352 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.521 -13.357 -2.592 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.215 -11.353 -2.449 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.784 -12.958 -2.865 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.740 -10.435 -0.427 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.021 -11.110 0.584 1.00 0.00 H new ATOM 905 N GLY A 56 0.087 -14.830 0.252 1.00 0.00 N ATOM 906 CA GLY A 56 1.289 -15.635 0.325 1.00 0.00 C ATOM 907 C GLY A 56 2.317 -15.267 -0.726 1.00 0.00 C ATOM 908 O GLY A 56 3.032 -16.127 -1.232 1.00 0.00 O ATOM 0 H GLY A 56 -0.020 -14.172 1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.734 -15.524 1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.023 -16.686 0.212 1.00 0.00 H new ATOM 912 N VAL A 57 2.400 -13.998 -1.060 1.00 0.00 N ATOM 913 CA VAL A 57 3.360 -13.539 -2.049 1.00 0.00 C ATOM 914 C VAL A 57 4.413 -12.630 -1.445 1.00 0.00 C ATOM 915 O VAL A 57 4.114 -11.778 -0.604 1.00 0.00 O ATOM 916 CB VAL A 57 2.702 -12.819 -3.249 1.00 0.00 C ATOM 917 CG1 VAL A 57 2.241 -13.823 -4.288 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.545 -11.944 -2.796 1.00 0.00 C ATOM 0 H VAL A 57 1.815 -13.262 -0.663 1.00 0.00 H new ATOM 0 HA VAL A 57 3.836 -14.448 -2.417 1.00 0.00 H new ATOM 0 HB VAL A 57 3.452 -12.172 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.781 -13.296 -5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.097 -14.395 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.513 -14.501 -3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.102 -11.450 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.792 -12.561 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.910 -11.192 -2.096 1.00 0.00 H new ATOM 928 N PRO A 58 5.668 -12.832 -1.853 1.00 0.00 N ATOM 929 CA PRO A 58 6.796 -12.004 -1.421 1.00 0.00 C ATOM 930 C PRO A 58 6.613 -10.529 -1.807 1.00 0.00 C ATOM 931 O PRO A 58 6.285 -10.202 -2.953 1.00 0.00 O ATOM 932 CB PRO A 58 7.998 -12.610 -2.168 1.00 0.00 C ATOM 933 CG PRO A 58 7.408 -13.458 -3.248 1.00 0.00 C ATOM 934 CD PRO A 58 6.085 -13.913 -2.751 1.00 0.00 C ATOM 0 HA PRO A 58 6.910 -12.006 -0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.635 -11.830 -2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.619 -13.204 -1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.301 -12.890 -4.172 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.053 -14.309 -3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.376 -14.053 -3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.159 -14.865 -2.226 1.00 0.00 H new ATOM 942 N MET A 59 6.847 -9.636 -0.848 1.00 0.00 N ATOM 943 CA MET A 59 6.677 -8.195 -1.048 1.00 0.00 C ATOM 944 C MET A 59 7.657 -7.643 -2.092 1.00 0.00 C ATOM 945 O MET A 59 7.461 -6.562 -2.633 1.00 0.00 O ATOM 946 CB MET A 59 6.866 -7.444 0.273 1.00 0.00 C ATOM 947 CG MET A 59 8.272 -7.542 0.821 1.00 0.00 C ATOM 948 SD MET A 59 8.549 -6.512 2.264 1.00 0.00 S ATOM 949 CE MET A 59 10.296 -6.808 2.496 1.00 0.00 C ATOM 0 H MET A 59 7.160 -9.889 0.090 1.00 0.00 H new ATOM 0 HA MET A 59 5.663 -8.041 -1.416 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.613 -6.394 0.125 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.168 -7.839 1.011 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.482 -8.580 1.079 1.00 0.00 H new ATOM 0 HG3 MET A 59 8.978 -7.259 0.041 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.649 -6.243 3.359 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.466 -7.871 2.664 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.840 -6.490 1.607 1.00 0.00 H new ATOM 959 N ASN A 60 8.716 -8.381 -2.362 1.00 0.00 N ATOM 960 CA ASN A 60 9.723 -7.939 -3.317 1.00 0.00 C ATOM 961 C ASN A 60 9.358 -8.380 -4.718 1.00 0.00 C ATOM 962 O ASN A 60 9.962 -7.964 -5.697 1.00 0.00 O ATOM 963 CB ASN A 60 11.110 -8.469 -2.928 1.00 0.00 C ATOM 964 CG ASN A 60 11.219 -9.982 -3.029 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.566 -10.527 -4.079 1.00 0.00 O ATOM 966 ND2 ASN A 60 10.930 -10.667 -1.941 1.00 0.00 N ATOM 0 H ASN A 60 8.905 -9.289 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 60 9.757 -6.850 -3.298 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.861 -8.013 -3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.337 -8.161 -1.907 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.990 -11.685 -1.948 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.647 -10.179 -1.091 1.00 0.00 H new ATOM 973 N SER A 61 8.359 -9.221 -4.811 1.00 0.00 N ATOM 974 CA SER A 61 7.905 -9.725 -6.080 1.00 0.00 C ATOM 975 C SER A 61 6.751 -8.902 -6.615 1.00 0.00 C ATOM 976 O SER A 61 6.493 -8.864 -7.811 1.00 0.00 O ATOM 977 CB SER A 61 7.474 -11.159 -5.917 1.00 0.00 C ATOM 978 OG SER A 61 8.589 -12.003 -5.718 1.00 0.00 O ATOM 0 H SER A 61 7.838 -9.575 -4.008 1.00 0.00 H new ATOM 0 HA SER A 61 8.726 -9.659 -6.794 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.793 -11.244 -5.070 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.924 -11.480 -6.801 1.00 0.00 H new ATOM 0 HG SER A 61 8.355 -12.920 -5.974 1.00 0.00 H new ATOM 984 N LEU A 62 6.061 -8.243 -5.735 1.00 0.00 N ATOM 985 CA LEU A 62 4.928 -7.464 -6.124 1.00 0.00 C ATOM 986 C LEU A 62 5.213 -5.969 -5.893 1.00 0.00 C ATOM 987 O LEU A 62 6.130 -5.615 -5.161 1.00 0.00 O ATOM 988 CB LEU A 62 3.655 -8.012 -5.394 1.00 0.00 C ATOM 989 CG LEU A 62 3.162 -7.331 -4.109 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.280 -7.116 -3.129 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.426 -6.052 -4.424 1.00 0.00 C ATOM 0 H LEU A 62 6.266 -8.230 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 62 4.729 -7.556 -7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.834 -7.989 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.841 -9.059 -5.156 1.00 0.00 H new ATOM 0 HG LEU A 62 2.453 -8.003 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.891 -6.632 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.718 -8.077 -2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.043 -6.483 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.087 -5.589 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.093 -5.368 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.565 -6.274 -5.055 1.00 0.00 H new ATOM 1003 N ARG A 63 4.457 -5.104 -6.535 1.00 0.00 N ATOM 1004 CA ARG A 63 4.681 -3.670 -6.411 1.00 0.00 C ATOM 1005 C ARG A 63 3.379 -2.893 -6.277 1.00 0.00 C ATOM 1006 O ARG A 63 2.410 -3.140 -7.001 1.00 0.00 O ATOM 1007 CB ARG A 63 5.483 -3.149 -7.596 1.00 0.00 C ATOM 1008 CG ARG A 63 4.901 -3.519 -8.946 1.00 0.00 C ATOM 1009 CD ARG A 63 5.668 -2.852 -10.055 1.00 0.00 C ATOM 1010 NE ARG A 63 5.176 -3.227 -11.380 1.00 0.00 N ATOM 1011 CZ ARG A 63 5.028 -2.371 -12.391 1.00 0.00 C ATOM 1012 NH1 ARG A 63 5.325 -1.083 -12.228 1.00 0.00 N ATOM 1013 NH2 ARG A 63 4.590 -2.805 -13.565 1.00 0.00 N ATOM 0 H ARG A 63 3.683 -5.362 -7.147 1.00 0.00 H new ATOM 0 HA ARG A 63 5.251 -3.514 -5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.551 -2.063 -7.526 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.500 -3.537 -7.532 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.930 -4.601 -9.076 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.854 -3.221 -8.990 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.601 -1.770 -9.939 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.722 -3.117 -9.974 1.00 0.00 H new ATOM 0 HE ARG A 63 4.931 -4.204 -11.541 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.667 -0.749 -11.327 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.210 -0.431 -13.004 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.367 -3.792 -13.693 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.476 -2.152 -14.340 1.00 0.00 H new ATOM 1027 N PHE A 64 3.359 -1.967 -5.334 1.00 0.00 N ATOM 1028 CA PHE A 64 2.198 -1.123 -5.087 1.00 0.00 C ATOM 1029 C PHE A 64 2.483 0.316 -5.480 1.00 0.00 C ATOM 1030 O PHE A 64 3.390 0.948 -4.940 1.00 0.00 O ATOM 1031 CB PHE A 64 1.806 -1.172 -3.602 1.00 0.00 C ATOM 1032 CG PHE A 64 2.719 -2.019 -2.755 1.00 0.00 C ATOM 1033 CD1 PHE A 64 3.868 -1.487 -2.189 1.00 0.00 C ATOM 1034 CD2 PHE A 64 2.424 -3.347 -2.528 1.00 0.00 C ATOM 1035 CE1 PHE A 64 4.700 -2.272 -1.415 1.00 0.00 C ATOM 1036 CE2 PHE A 64 3.251 -4.136 -1.756 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.391 -3.600 -1.198 1.00 0.00 C ATOM 0 H PHE A 64 4.148 -1.777 -4.716 1.00 0.00 H new ATOM 0 HA PHE A 64 1.375 -1.502 -5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.797 -0.157 -3.205 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.789 -1.556 -3.518 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.115 -0.449 -2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.532 -3.775 -2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.592 -1.847 -0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.005 -5.174 -1.589 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.040 -4.216 -0.593 1.00 0.00 H new ATOM 1047 N LEU A 65 1.724 0.831 -6.421 1.00 0.00 N ATOM 1048 CA LEU A 65 1.889 2.206 -6.847 1.00 0.00 C ATOM 1049 C LEU A 65 0.560 2.932 -7.044 1.00 0.00 C ATOM 1050 O LEU A 65 -0.475 2.329 -7.313 1.00 0.00 O ATOM 1051 CB LEU A 65 2.789 2.307 -8.102 1.00 0.00 C ATOM 1052 CG LEU A 65 2.612 1.232 -9.185 1.00 0.00 C ATOM 1053 CD1 LEU A 65 1.250 1.322 -9.834 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.705 1.358 -10.227 1.00 0.00 C ATOM 0 H LEU A 65 0.986 0.320 -6.907 1.00 0.00 H new ATOM 0 HA LEU A 65 2.397 2.721 -6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.618 3.280 -8.562 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.828 2.287 -7.774 1.00 0.00 H new ATOM 0 HG LEU A 65 2.687 0.255 -8.707 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.158 0.547 -10.595 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.477 1.182 -9.078 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.132 2.302 -10.297 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.570 0.591 -10.990 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.655 2.344 -10.690 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.677 1.230 -9.752 1.00 0.00 H new ATOM 1066 N PHE A 66 0.599 4.235 -6.884 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.563 5.084 -7.056 1.00 0.00 C ATOM 1068 C PHE A 66 -0.146 6.330 -7.796 1.00 0.00 C ATOM 1069 O PHE A 66 0.792 7.000 -7.399 1.00 0.00 O ATOM 1070 CB PHE A 66 -1.182 5.449 -5.696 1.00 0.00 C ATOM 1071 CG PHE A 66 -2.307 6.444 -5.792 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.477 6.116 -6.445 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -2.188 7.708 -5.228 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.512 7.018 -6.540 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -3.225 8.620 -5.318 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.389 8.274 -5.975 1.00 0.00 C ATOM 0 H PHE A 66 1.446 4.743 -6.628 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.320 4.549 -7.630 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.551 4.541 -5.219 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.404 5.855 -5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.582 5.137 -6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.278 7.981 -4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.421 6.745 -7.056 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.124 9.600 -4.875 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.201 8.982 -6.047 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.830 6.633 -8.887 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.498 7.773 -9.740 1.00 0.00 C ATOM 1088 C GLU A 67 0.935 7.688 -10.261 1.00 0.00 C ATOM 1089 O GLU A 67 1.547 8.693 -10.606 1.00 0.00 O ATOM 1090 CB GLU A 67 -0.738 9.097 -9.012 1.00 0.00 C ATOM 1091 CG GLU A 67 -2.201 9.358 -8.717 1.00 0.00 C ATOM 1092 CD GLU A 67 -3.069 9.174 -9.942 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -2.959 9.988 -10.878 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -3.857 8.203 -9.980 1.00 0.00 O ATOM 0 H GLU A 67 -1.635 6.096 -9.211 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.164 7.737 -10.602 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.180 9.096 -8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.344 9.914 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.538 8.684 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.319 10.373 -8.339 1.00 0.00 H new ATOM 1101 N GLY A 68 1.455 6.471 -10.333 1.00 0.00 N ATOM 1102 CA GLY A 68 2.783 6.253 -10.865 1.00 0.00 C ATOM 1103 C GLY A 68 3.865 6.357 -9.813 1.00 0.00 C ATOM 1104 O GLY A 68 5.052 6.401 -10.133 1.00 0.00 O ATOM 0 H GLY A 68 0.975 5.624 -10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.826 5.266 -11.327 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.978 6.982 -11.652 1.00 0.00 H new ATOM 1108 N GLN A 69 3.474 6.395 -8.553 1.00 0.00 N ATOM 1109 CA GLN A 69 4.434 6.489 -7.472 1.00 0.00 C ATOM 1110 C GLN A 69 4.298 5.283 -6.568 1.00 0.00 C ATOM 1111 O GLN A 69 3.187 4.872 -6.225 1.00 0.00 O ATOM 1112 CB GLN A 69 4.228 7.789 -6.686 1.00 0.00 C ATOM 1113 CG GLN A 69 3.040 7.776 -5.742 1.00 0.00 C ATOM 1114 CD GLN A 69 2.571 9.168 -5.389 1.00 0.00 C ATOM 1115 OE1 GLN A 69 3.362 10.107 -5.324 1.00 0.00 O ATOM 1116 NE2 GLN A 69 1.279 9.315 -5.184 1.00 0.00 N ATOM 0 H GLN A 69 2.499 6.362 -8.254 1.00 0.00 H new ATOM 0 HA GLN A 69 5.442 6.505 -7.886 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.130 7.997 -6.111 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.105 8.610 -7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.220 7.225 -6.202 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.310 7.244 -4.830 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.658 8.509 -5.248 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.899 10.235 -4.961 1.00 0.00 H new ATOM 1125 N ARG A 70 5.410 4.696 -6.196 1.00 0.00 N ATOM 1126 CA ARG A 70 5.386 3.520 -5.359 1.00 0.00 C ATOM 1127 C ARG A 70 4.980 3.878 -3.946 1.00 0.00 C ATOM 1128 O ARG A 70 5.351 4.938 -3.413 1.00 0.00 O ATOM 1129 CB ARG A 70 6.747 2.816 -5.351 1.00 0.00 C ATOM 1130 CG ARG A 70 7.880 3.657 -4.781 1.00 0.00 C ATOM 1131 CD ARG A 70 9.165 2.858 -4.682 1.00 0.00 C ATOM 1132 NE ARG A 70 9.572 2.305 -5.974 1.00 0.00 N ATOM 1133 CZ ARG A 70 10.589 1.457 -6.140 1.00 0.00 C ATOM 1134 NH1 ARG A 70 11.308 1.055 -5.096 1.00 0.00 N ATOM 1135 NH2 ARG A 70 10.881 1.005 -7.353 1.00 0.00 N ATOM 0 H ARG A 70 6.343 5.013 -6.459 1.00 0.00 H new ATOM 0 HA ARG A 70 4.648 2.834 -5.775 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.665 1.897 -4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.001 2.528 -6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.040 4.531 -5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.601 4.025 -3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.959 3.497 -4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.032 2.046 -3.967 1.00 0.00 H new ATOM 0 HE ARG A 70 9.045 2.586 -6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.084 1.395 -4.161 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.084 0.407 -5.230 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.329 1.306 -8.156 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.658 0.357 -7.482 1.00 0.00 H new ATOM 1149 N ILE A 71 4.193 3.033 -3.336 1.00 0.00 N ATOM 1150 CA ILE A 71 3.807 3.257 -1.982 1.00 0.00 C ATOM 1151 C ILE A 71 4.922 2.769 -1.080 1.00 0.00 C ATOM 1152 O ILE A 71 5.047 1.579 -0.814 1.00 0.00 O ATOM 1153 CB ILE A 71 2.492 2.534 -1.621 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.467 2.640 -2.766 1.00 0.00 C ATOM 1155 CG2 ILE A 71 1.919 3.132 -0.354 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.076 4.060 -3.124 1.00 0.00 C ATOM 0 H ILE A 71 3.811 2.187 -3.759 1.00 0.00 H new ATOM 0 HA ILE A 71 3.633 4.324 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 71 2.709 1.478 -1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.877 2.154 -3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.570 2.088 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.990 2.622 -0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.634 3.013 0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.720 4.192 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.352 4.044 -3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.633 4.546 -2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.961 4.613 -3.437 1.00 0.00 H new ATOM 1168 N ALA A 72 5.746 3.701 -0.632 1.00 0.00 N ATOM 1169 CA ALA A 72 6.899 3.397 0.188 1.00 0.00 C ATOM 1170 C ALA A 72 6.508 2.878 1.552 1.00 0.00 C ATOM 1171 O ALA A 72 5.357 3.012 1.991 1.00 0.00 O ATOM 1172 CB ALA A 72 7.771 4.629 0.337 1.00 0.00 C ATOM 0 H ALA A 72 5.630 4.695 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 72 7.457 2.608 -0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.636 4.390 0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.108 4.957 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.197 5.426 0.809 1.00 0.00 H new ATOM 1178 N ASP A 73 7.485 2.317 2.236 1.00 0.00 N ATOM 1179 CA ASP A 73 7.314 1.760 3.568 1.00 0.00 C ATOM 1180 C ASP A 73 6.790 2.797 4.563 1.00 0.00 C ATOM 1181 O ASP A 73 6.108 2.460 5.541 1.00 0.00 O ATOM 1182 CB ASP A 73 8.638 1.166 4.063 1.00 0.00 C ATOM 1183 CG ASP A 73 9.844 2.058 3.780 1.00 0.00 C ATOM 1184 OD1 ASP A 73 9.909 3.168 4.333 1.00 0.00 O ATOM 1185 OD2 ASP A 73 10.733 1.632 2.990 1.00 0.00 O ATOM 0 H ASP A 73 8.437 2.233 1.878 1.00 0.00 H new ATOM 0 HA ASP A 73 6.566 0.970 3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.570 0.989 5.136 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.793 0.197 3.589 1.00 0.00 H new ATOM 1190 N ASN A 74 7.095 4.052 4.318 1.00 0.00 N ATOM 1191 CA ASN A 74 6.664 5.128 5.193 1.00 0.00 C ATOM 1192 C ASN A 74 5.651 6.041 4.501 1.00 0.00 C ATOM 1193 O ASN A 74 5.359 7.135 4.981 1.00 0.00 O ATOM 1194 CB ASN A 74 7.874 5.944 5.669 1.00 0.00 C ATOM 1195 CG ASN A 74 8.626 6.600 4.527 1.00 0.00 C ATOM 1196 OD1 ASN A 74 8.352 7.743 4.158 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.567 5.880 3.954 1.00 0.00 N ATOM 0 H ASN A 74 7.644 4.358 3.514 1.00 0.00 H new ATOM 0 HA ASN A 74 6.174 4.678 6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.537 6.712 6.365 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.553 5.292 6.218 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.100 6.265 3.174 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.763 4.937 4.290 1.00 0.00 H new ATOM 1204 N HIS A 75 5.089 5.594 3.380 1.00 0.00 N ATOM 1205 CA HIS A 75 4.108 6.407 2.667 1.00 0.00 C ATOM 1206 C HIS A 75 2.728 6.272 3.284 1.00 0.00 C ATOM 1207 O HIS A 75 2.307 5.177 3.680 1.00 0.00 O ATOM 1208 CB HIS A 75 4.059 6.064 1.180 1.00 0.00 C ATOM 1209 CG HIS A 75 4.820 7.025 0.315 1.00 0.00 C ATOM 1210 ND1 HIS A 75 5.064 6.809 -1.027 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.373 8.232 0.602 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.728 7.834 -1.518 1.00 0.00 C ATOM 1213 NE2 HIS A 75 5.926 8.707 -0.554 1.00 0.00 N ATOM 0 H HIS A 75 5.291 4.690 2.952 1.00 0.00 H new ATOM 0 HA HIS A 75 4.429 7.444 2.761 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.460 5.061 1.034 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.019 6.042 0.855 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.375 8.724 1.563 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.056 7.941 -2.542 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.415 9.597 -0.654 1.00 0.00 H new ATOM 1222 N THR A 76 2.018 7.386 3.364 1.00 0.00 N ATOM 1223 CA THR A 76 0.705 7.430 3.974 1.00 0.00 C ATOM 1224 C THR A 76 -0.296 8.079 3.020 1.00 0.00 C ATOM 1225 O THR A 76 0.103 8.724 2.042 1.00 0.00 O ATOM 1226 CB THR A 76 0.759 8.277 5.268 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.989 9.646 4.931 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.881 7.818 6.156 1.00 0.00 C ATOM 0 H THR A 76 2.339 8.285 3.006 1.00 0.00 H new ATOM 0 HA THR A 76 0.395 6.410 4.201 1.00 0.00 H new ATOM 0 HB THR A 76 -0.190 8.162 5.791 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.612 10.041 5.576 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.902 8.426 7.060 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.728 6.773 6.425 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.829 7.921 5.628 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.607 7.914 3.276 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.651 8.556 2.476 1.00 0.00 C ATOM 1238 C PRO A 77 -2.550 10.080 2.501 1.00 0.00 C ATOM 1239 O PRO A 77 -2.865 10.750 1.514 1.00 0.00 O ATOM 1240 CB PRO A 77 -3.957 8.096 3.133 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.560 7.596 4.477 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.177 7.056 4.326 1.00 0.00 C ATOM 0 HA PRO A 77 -2.574 8.281 1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.669 8.918 3.213 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.438 7.313 2.547 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.587 8.398 5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.245 6.822 4.823 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.612 7.124 5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.182 6.006 4.033 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.088 10.637 3.626 1.00 0.00 N ATOM 1251 CA LYS A 78 -1.947 12.090 3.749 1.00 0.00 C ATOM 1252 C LYS A 78 -0.749 12.548 2.928 1.00 0.00 C ATOM 1253 O LYS A 78 -0.730 13.646 2.376 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.725 12.507 5.222 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.277 12.350 5.670 1.00 0.00 C ATOM 1256 CD LYS A 78 0.056 13.179 6.886 1.00 0.00 C ATOM 1257 CE LYS A 78 1.567 13.250 7.084 1.00 0.00 C ATOM 1258 NZ LYS A 78 2.192 14.327 6.277 1.00 0.00 N ATOM 0 H LYS A 78 -1.809 10.111 4.454 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.865 12.554 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.029 13.546 5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.367 11.905 5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.082 11.300 5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.384 12.634 4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.350 14.184 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.413 12.745 7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.785 13.417 8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.012 12.292 6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.767 14.935 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.799 13.905 5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.449 14.897 5.824 1.00 0.00 H new ATOM 1272 N GLU A 79 0.254 11.677 2.850 1.00 0.00 N ATOM 1273 CA GLU A 79 1.499 11.981 2.195 1.00 0.00 C ATOM 1274 C GLU A 79 1.318 11.963 0.694 1.00 0.00 C ATOM 1275 O GLU A 79 1.816 12.821 -0.025 1.00 0.00 O ATOM 1276 CB GLU A 79 2.534 10.938 2.596 1.00 0.00 C ATOM 1277 CG GLU A 79 3.953 11.450 2.656 1.00 0.00 C ATOM 1278 CD GLU A 79 4.088 12.691 3.493 1.00 0.00 C ATOM 1279 OE1 GLU A 79 3.381 12.800 4.506 1.00 0.00 O ATOM 1280 OE2 GLU A 79 4.908 13.561 3.148 1.00 0.00 O ATOM 0 H GLU A 79 0.214 10.738 3.246 1.00 0.00 H new ATOM 0 HA GLU A 79 1.833 12.974 2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.265 10.536 3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.490 10.111 1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.599 10.671 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.302 11.659 1.645 1.00 0.00 H new ATOM 1287 N LEU A 80 0.591 10.971 0.226 1.00 0.00 N ATOM 1288 CA LEU A 80 0.357 10.776 -1.187 1.00 0.00 C ATOM 1289 C LEU A 80 -0.806 11.614 -1.697 1.00 0.00 C ATOM 1290 O LEU A 80 -1.012 11.732 -2.904 1.00 0.00 O ATOM 1291 CB LEU A 80 0.106 9.303 -1.442 1.00 0.00 C ATOM 1292 CG LEU A 80 1.258 8.390 -1.039 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.810 6.951 -0.997 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.418 8.559 -1.999 1.00 0.00 C ATOM 0 H LEU A 80 0.143 10.273 0.820 1.00 0.00 H new ATOM 0 HA LEU A 80 1.241 11.105 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.789 9.000 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.101 9.160 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 80 1.588 8.670 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.648 6.317 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.004 6.842 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.453 6.652 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.235 7.902 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.095 8.303 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.759 9.594 -1.979 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.577 12.190 -0.785 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.695 13.027 -1.188 1.00 0.00 C ATOM 1308 C GLY A 81 -3.841 12.226 -1.775 1.00 0.00 C ATOM 1309 O GLY A 81 -4.307 12.502 -2.880 1.00 0.00 O ATOM 0 H GLY A 81 -1.451 12.095 0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.053 13.588 -0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.352 13.756 -1.922 1.00 0.00 H new ATOM 1313 N MET A 82 -4.292 11.222 -1.048 1.00 0.00 N ATOM 1314 CA MET A 82 -5.391 10.380 -1.503 1.00 0.00 C ATOM 1315 C MET A 82 -6.684 10.692 -0.751 1.00 0.00 C ATOM 1316 O MET A 82 -6.698 11.479 0.196 1.00 0.00 O ATOM 1317 CB MET A 82 -5.027 8.905 -1.343 1.00 0.00 C ATOM 1318 CG MET A 82 -3.791 8.508 -2.128 1.00 0.00 C ATOM 1319 SD MET A 82 -3.422 6.748 -2.038 1.00 0.00 S ATOM 1320 CE MET A 82 -2.953 6.597 -0.332 1.00 0.00 C ATOM 0 H MET A 82 -3.915 10.966 -0.136 1.00 0.00 H new ATOM 0 HA MET A 82 -5.561 10.593 -2.558 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.864 8.690 -0.287 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.868 8.292 -1.667 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.926 8.790 -3.172 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.936 9.071 -1.754 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.797 5.546 -0.089 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.030 7.151 -0.158 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.744 7.002 0.300 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.770 10.060 -1.171 1.00 0.00 N ATOM 1331 CA GLU A 83 -9.076 10.255 -0.554 1.00 0.00 C ATOM 1332 C GLU A 83 -9.636 8.930 -0.086 1.00 0.00 C ATOM 1333 O GLU A 83 -9.024 7.887 -0.280 1.00 0.00 O ATOM 1334 CB GLU A 83 -10.052 10.891 -1.533 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.711 12.309 -1.931 1.00 0.00 C ATOM 1336 CD GLU A 83 -10.714 12.870 -2.901 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -11.838 13.207 -2.471 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -10.402 12.958 -4.103 1.00 0.00 O ATOM 0 H GLU A 83 -7.772 9.399 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.946 10.921 0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.097 10.276 -2.432 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.048 10.881 -1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.674 12.938 -1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.718 12.332 -2.380 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.809 8.959 0.519 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.430 7.745 0.998 1.00 0.00 C ATOM 1347 C GLU A 84 -12.049 6.957 -0.142 1.00 0.00 C ATOM 1348 O GLU A 84 -12.581 7.526 -1.096 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.477 8.039 2.066 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.535 9.025 1.630 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.921 8.598 2.044 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -15.302 8.845 3.206 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -15.640 8.009 1.212 1.00 0.00 O ATOM 0 H GLU A 84 -11.347 9.809 0.689 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.645 7.138 1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.961 7.105 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.977 8.426 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.315 10.003 2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.500 9.136 0.546 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.939 5.641 -0.040 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.462 4.695 -1.016 1.00 0.00 C ATOM 1362 C GLU A 85 -11.671 4.780 -2.321 1.00 0.00 C ATOM 1363 O GLU A 85 -12.063 4.209 -3.340 1.00 0.00 O ATOM 1364 CB GLU A 85 -13.961 4.927 -1.270 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.699 3.716 -1.831 1.00 0.00 C ATOM 1366 CD GLU A 85 -14.962 2.654 -0.782 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -14.045 1.884 -0.452 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -16.098 2.593 -0.271 1.00 0.00 O ATOM 0 H GLU A 85 -11.471 5.189 0.745 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.347 3.691 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.434 5.224 -0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.075 5.760 -1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.647 4.040 -2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.114 3.283 -2.642 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.553 5.508 -2.296 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.711 5.629 -3.476 1.00 0.00 C ATOM 1377 C ASP A 86 -9.043 4.291 -3.774 1.00 0.00 C ATOM 1378 O ASP A 86 -9.137 3.343 -2.980 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.661 6.736 -3.309 1.00 0.00 C ATOM 1380 CG ASP A 86 -8.358 7.447 -4.621 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -8.089 6.766 -5.635 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -8.405 8.698 -4.649 1.00 0.00 O ATOM 0 H ASP A 86 -10.216 6.016 -1.478 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.343 5.908 -4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.015 7.463 -2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.742 6.305 -2.911 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.344 4.204 -4.881 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.785 2.941 -5.293 1.00 0.00 C ATOM 1389 C VAL A 87 -6.281 3.012 -5.511 1.00 0.00 C ATOM 1390 O VAL A 87 -5.753 3.971 -6.070 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.479 2.382 -6.571 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -9.992 2.379 -6.406 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.084 3.170 -7.815 1.00 0.00 C ATOM 0 H VAL A 87 -8.151 4.986 -5.507 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.974 2.254 -4.468 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.139 1.355 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.456 1.985 -7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.264 1.753 -5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.341 3.397 -6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.588 2.751 -8.686 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.377 4.213 -7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.005 3.110 -7.956 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.590 2.001 -5.027 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.162 1.868 -5.226 1.00 0.00 C ATOM 1405 C ILE A 88 -3.923 0.746 -6.224 1.00 0.00 C ATOM 1406 O ILE A 88 -4.601 -0.283 -6.179 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.401 1.567 -3.883 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.247 2.841 -3.029 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -2.030 0.947 -4.141 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.545 3.412 -2.515 1.00 0.00 C ATOM 0 H ILE A 88 -6.005 1.245 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.772 2.813 -5.604 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.006 0.847 -3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.602 2.617 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.740 3.602 -3.623 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.534 0.753 -3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.151 0.010 -4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.425 1.635 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.341 4.306 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.187 3.672 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.046 2.672 -1.891 1.00 0.00 H new ATOM 1422 N GLU A 89 -2.960 0.923 -7.103 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.697 -0.040 -8.153 1.00 0.00 C ATOM 1424 C GLU A 89 -1.591 -0.997 -7.714 1.00 0.00 C ATOM 1425 O GLU A 89 -0.541 -0.571 -7.222 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.286 0.694 -9.433 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.065 -0.208 -10.626 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.356 -0.667 -11.251 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -3.970 -1.615 -10.727 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -3.758 -0.087 -12.285 1.00 0.00 O ATOM 0 H GLU A 89 -2.340 1.733 -7.111 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.601 -0.616 -8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.056 1.424 -9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.370 1.251 -9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.472 0.321 -11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.486 -1.078 -10.317 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.813 -2.282 -7.878 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.846 -3.274 -7.462 1.00 0.00 C ATOM 1439 C VAL A 90 -0.610 -4.329 -8.538 1.00 0.00 C ATOM 1440 O VAL A 90 -1.544 -4.813 -9.187 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.267 -3.957 -6.124 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.538 -5.272 -5.924 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -0.995 -3.034 -4.952 1.00 0.00 C ATOM 0 H VAL A 90 -2.659 -2.666 -8.299 1.00 0.00 H new ATOM 0 HA VAL A 90 0.092 -2.743 -7.300 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.336 -4.163 -6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.853 -5.723 -4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.773 -5.947 -6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.537 -5.092 -5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.294 -3.524 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.069 -2.801 -4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.564 -2.113 -5.075 1.00 0.00 H new ATOM 1453 N TYR A 91 0.649 -4.671 -8.737 1.00 0.00 N ATOM 1454 CA TYR A 91 1.034 -5.708 -9.666 1.00 0.00 C ATOM 1455 C TYR A 91 1.847 -6.749 -8.932 1.00 0.00 C ATOM 1456 O TYR A 91 2.572 -6.423 -8.000 1.00 0.00 O ATOM 1457 CB TYR A 91 1.841 -5.135 -10.825 1.00 0.00 C ATOM 1458 CG TYR A 91 1.098 -4.098 -11.627 1.00 0.00 C ATOM 1459 CD1 TYR A 91 0.132 -4.473 -12.548 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.356 -2.745 -11.458 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.556 -3.533 -13.280 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.671 -1.795 -12.184 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.286 -2.194 -13.096 1.00 0.00 C ATOM 1464 OH TYR A 91 -0.976 -1.253 -13.822 1.00 0.00 O ATOM 0 H TYR A 91 1.434 -4.233 -8.255 1.00 0.00 H new ATOM 0 HA TYR A 91 0.134 -6.163 -10.080 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.757 -4.692 -10.434 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.138 -5.949 -11.487 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.084 -5.521 -12.693 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.105 -2.432 -10.746 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.304 -3.843 -13.995 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.881 -0.745 -12.041 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.667 -0.357 -13.573 1.00 0.00 H new ATOM 1474 N GLN A 92 1.736 -8.000 -9.326 1.00 0.00 N ATOM 1475 CA GLN A 92 2.455 -9.061 -8.636 1.00 0.00 C ATOM 1476 C GLN A 92 3.155 -10.011 -9.603 1.00 0.00 C ATOM 1477 O GLN A 92 2.532 -10.587 -10.498 1.00 0.00 O ATOM 1478 CB GLN A 92 1.512 -9.839 -7.687 1.00 0.00 C ATOM 1479 CG GLN A 92 0.376 -10.582 -8.387 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.541 -11.320 -7.420 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -1.096 -12.365 -7.749 1.00 0.00 O ATOM 1482 NE2 GLN A 92 -0.726 -10.772 -6.234 1.00 0.00 N ATOM 0 H GLN A 92 1.163 -8.310 -10.111 1.00 0.00 H new ATOM 0 HA GLN A 92 3.232 -8.583 -8.040 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.102 -10.558 -7.119 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.083 -9.140 -6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.213 -9.871 -8.966 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.798 -11.296 -9.094 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.249 -9.903 -5.994 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.346 -11.217 -5.558 1.00 0.00 H new