USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=14 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 80:sc= 0 USER MOD Set 1.2: A 92 GLN : amide:sc= -1.05 K(o=-1,f=0.33) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc=-0.00878 (180deg=-0.0969) USER MOD Single : A 29 GLN : amide:sc= -4.34! C(o=-4.3!,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= -0.724 K(o=1,f=-11!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -143:sc= -2.46! (180deg=-5.08!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -140:sc= -0.293 USER MOD Single : A 43 HIS : no HD1:sc= -2.09! C(o=-2.1!,f=-2.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -132:sc= -2.72 (180deg=-4.7) USER MOD Single : A 50 SER OG : rot 72:sc= 0.679 USER MOD Single : A 52 CYS SG : rot 58:sc= -0.913! USER MOD Single : A 53 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 55 GLN : amide:sc= 0.0446 X(o=0.045,f=-0.43) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc=-0.00839 X(o=-0.0084,f=-0.13) USER MOD Single : A 61 SER OG : rot -140:sc= -0.156 USER MOD Single : A 69 GLN : amide:sc= -1.57 K(o=-1.6,f=-1.1) USER MOD Single : A 74 ASN : amide:sc= 0.236 X(o=0.24,f=-0.036) USER MOD Single : A 75 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-3.4!) USER MOD Single : A 76 THR OG1 : rot -147:sc= -3.51! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -168:sc= -4.16! (180deg=-4.64) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.0771 USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -10.281 7.543 7.303 1.00 0.00 N ATOM 312 CA ILE A 22 -10.438 7.442 5.864 1.00 0.00 C ATOM 313 C ILE A 22 -10.313 5.984 5.454 1.00 0.00 C ATOM 314 O ILE A 22 -9.567 5.239 6.043 1.00 0.00 O ATOM 315 CB ILE A 22 -9.362 8.316 5.125 1.00 0.00 C ATOM 316 CG1 ILE A 22 -9.003 7.738 3.748 1.00 0.00 C ATOM 317 CG2 ILE A 22 -8.110 8.473 5.978 1.00 0.00 C ATOM 318 CD1 ILE A 22 -8.125 8.650 2.918 1.00 0.00 C ATOM 0 HA ILE A 22 -11.422 7.817 5.581 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.802 9.300 4.966 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.494 6.784 3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.922 7.533 3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.380 9.082 5.444 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.369 8.958 6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.683 7.491 6.182 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.912 8.177 1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.640 9.596 2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.190 8.835 3.447 1.00 0.00 H new ATOM 330 N LYS A 23 -11.071 5.560 4.483 1.00 0.00 N ATOM 331 CA LYS A 23 -10.989 4.188 4.030 1.00 0.00 C ATOM 332 C LYS A 23 -10.329 4.130 2.666 1.00 0.00 C ATOM 333 O LYS A 23 -10.488 5.033 1.867 1.00 0.00 O ATOM 334 CB LYS A 23 -12.380 3.547 4.009 1.00 0.00 C ATOM 335 CG LYS A 23 -13.427 4.352 3.250 1.00 0.00 C ATOM 336 CD LYS A 23 -14.822 3.774 3.448 1.00 0.00 C ATOM 337 CE LYS A 23 -14.926 2.361 2.893 1.00 0.00 C ATOM 338 NZ LYS A 23 -16.267 1.773 3.121 1.00 0.00 N ATOM 0 H LYS A 23 -11.752 6.136 3.988 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.374 3.618 4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.304 2.556 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.719 3.407 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.409 5.388 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.182 4.361 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.066 3.767 4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.555 4.414 2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.713 2.375 1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.169 1.731 3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.295 0.811 2.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.461 1.736 4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.987 2.359 2.653 1.00 0.00 H new ATOM 352 N LEU A 24 -9.556 3.094 2.415 1.00 0.00 N ATOM 353 CA LEU A 24 -8.868 2.945 1.134 1.00 0.00 C ATOM 354 C LEU A 24 -9.044 1.541 0.584 1.00 0.00 C ATOM 355 O LEU A 24 -9.334 0.602 1.330 1.00 0.00 O ATOM 356 CB LEU A 24 -7.376 3.248 1.296 1.00 0.00 C ATOM 357 CG LEU A 24 -7.021 4.688 1.661 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.542 4.808 1.943 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.419 5.631 0.542 1.00 0.00 C ATOM 0 H LEU A 24 -9.383 2.338 3.077 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.308 3.653 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.973 2.589 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.871 2.995 0.364 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.572 4.963 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.303 5.840 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.276 4.155 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.978 4.516 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.159 6.653 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.891 5.356 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.494 5.563 0.374 1.00 0.00 H new ATOM 371 N LYS A 25 -8.878 1.382 -0.722 1.00 0.00 N ATOM 372 CA LYS A 25 -8.980 0.084 -1.338 1.00 0.00 C ATOM 373 C LYS A 25 -7.751 -0.223 -2.158 1.00 0.00 C ATOM 374 O LYS A 25 -7.304 0.580 -2.983 1.00 0.00 O ATOM 375 CB LYS A 25 -10.267 -0.032 -2.181 1.00 0.00 C ATOM 376 CG LYS A 25 -10.317 -1.226 -3.157 1.00 0.00 C ATOM 377 CD LYS A 25 -9.747 -0.863 -4.526 1.00 0.00 C ATOM 378 CE LYS A 25 -10.654 -1.317 -5.666 1.00 0.00 C ATOM 379 NZ LYS A 25 -11.950 -0.583 -5.692 1.00 0.00 N ATOM 0 H LYS A 25 -8.672 2.143 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.041 -0.661 -0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.119 -0.103 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.390 0.888 -2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.755 -2.061 -2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.348 -1.561 -3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.605 0.216 -4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.764 -1.320 -4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.139 -1.172 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.847 -2.385 -5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.409 -0.721 -6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.570 -0.946 -4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.778 0.431 -5.540 1.00 0.00 H new ATOM 393 N VAL A 26 -7.189 -1.372 -1.918 1.00 0.00 N ATOM 394 CA VAL A 26 -6.049 -1.832 -2.659 1.00 0.00 C ATOM 395 C VAL A 26 -6.520 -2.806 -3.722 1.00 0.00 C ATOM 396 O VAL A 26 -7.265 -3.739 -3.427 1.00 0.00 O ATOM 397 CB VAL A 26 -5.006 -2.509 -1.729 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.869 -3.120 -2.532 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.463 -1.505 -0.724 1.00 0.00 C ATOM 0 H VAL A 26 -7.510 -2.020 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.560 -0.977 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.507 -3.312 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.154 -3.587 -1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.268 -3.872 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.369 -2.340 -3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.733 -1.994 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.984 -0.682 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.282 -1.118 -0.117 1.00 0.00 H new ATOM 409 N ILE A 27 -6.121 -2.580 -4.955 1.00 0.00 N ATOM 410 CA ILE A 27 -6.534 -3.426 -6.054 1.00 0.00 C ATOM 411 C ILE A 27 -5.310 -3.911 -6.819 1.00 0.00 C ATOM 412 O ILE A 27 -4.284 -3.246 -6.846 1.00 0.00 O ATOM 413 CB ILE A 27 -7.514 -2.681 -7.020 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.068 -3.640 -8.085 1.00 0.00 C ATOM 415 CG2 ILE A 27 -6.834 -1.486 -7.678 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.069 -3.002 -9.025 1.00 0.00 C ATOM 0 H ILE A 27 -5.506 -1.811 -5.223 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.067 -4.281 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.349 -2.310 -6.425 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.238 -4.037 -8.669 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.541 -4.486 -7.587 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.539 -0.988 -8.344 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.504 -0.787 -6.910 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.973 -1.828 -8.252 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.413 -3.742 -9.747 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.919 -2.630 -8.453 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.596 -2.174 -9.552 1.00 0.00 H new ATOM 428 N GLY A 28 -5.405 -5.081 -7.401 1.00 0.00 N ATOM 429 CA GLY A 28 -4.314 -5.608 -8.173 1.00 0.00 C ATOM 430 C GLY A 28 -4.779 -6.097 -9.510 1.00 0.00 C ATOM 431 O GLY A 28 -5.980 -6.297 -9.720 1.00 0.00 O ATOM 0 H GLY A 28 -6.227 -5.684 -7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.556 -4.836 -8.309 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.842 -6.426 -7.628 1.00 0.00 H new ATOM 435 N GLN A 29 -3.842 -6.331 -10.428 1.00 0.00 N ATOM 436 CA GLN A 29 -4.183 -6.815 -11.772 1.00 0.00 C ATOM 437 C GLN A 29 -4.878 -8.180 -11.699 1.00 0.00 C ATOM 438 O GLN A 29 -5.493 -8.640 -12.657 1.00 0.00 O ATOM 439 CB GLN A 29 -2.931 -6.920 -12.663 1.00 0.00 C ATOM 440 CG GLN A 29 -2.097 -8.184 -12.447 1.00 0.00 C ATOM 441 CD GLN A 29 -1.146 -8.090 -11.278 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.010 -7.685 -11.430 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.596 -8.492 -10.109 1.00 0.00 N ATOM 0 H GLN A 29 -2.844 -6.195 -10.270 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.866 -6.090 -12.215 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.241 -6.879 -13.707 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.300 -6.050 -12.483 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.768 -9.029 -12.292 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.527 -8.392 -13.352 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.556 -8.826 -10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.985 -8.470 -9.292 1.00 0.00 H new ATOM 452 N ASP A 30 -4.779 -8.820 -10.541 1.00 0.00 N ATOM 453 CA ASP A 30 -5.363 -10.132 -10.320 1.00 0.00 C ATOM 454 C ASP A 30 -6.863 -10.014 -10.008 1.00 0.00 C ATOM 455 O ASP A 30 -7.501 -10.971 -9.578 1.00 0.00 O ATOM 456 CB ASP A 30 -4.623 -10.817 -9.162 1.00 0.00 C ATOM 457 CG ASP A 30 -4.851 -12.311 -9.103 1.00 0.00 C ATOM 458 OD1 ASP A 30 -4.298 -13.033 -9.957 1.00 0.00 O ATOM 459 OD2 ASP A 30 -5.553 -12.776 -8.191 1.00 0.00 O ATOM 0 H ASP A 30 -4.291 -8.442 -9.729 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.259 -10.731 -11.224 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.555 -10.624 -9.258 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.944 -10.371 -8.221 1.00 0.00 H new ATOM 464 N SER A 31 -7.418 -8.807 -10.223 1.00 0.00 N ATOM 465 CA SER A 31 -8.843 -8.518 -9.991 1.00 0.00 C ATOM 466 C SER A 31 -9.175 -8.561 -8.500 1.00 0.00 C ATOM 467 O SER A 31 -10.338 -8.616 -8.097 1.00 0.00 O ATOM 468 CB SER A 31 -9.733 -9.496 -10.773 1.00 0.00 C ATOM 469 OG SER A 31 -9.352 -9.541 -12.142 1.00 0.00 O ATOM 0 H SER A 31 -6.889 -8.004 -10.563 1.00 0.00 H new ATOM 0 HA SER A 31 -9.044 -7.510 -10.353 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.657 -10.492 -10.337 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.776 -9.191 -10.691 1.00 0.00 H new ATOM 0 HG SER A 31 -9.930 -10.171 -12.622 1.00 0.00 H new ATOM 475 N SER A 32 -8.144 -8.553 -7.684 1.00 0.00 N ATOM 476 CA SER A 32 -8.303 -8.564 -6.253 1.00 0.00 C ATOM 477 C SER A 32 -8.422 -7.140 -5.714 1.00 0.00 C ATOM 478 O SER A 32 -7.740 -6.229 -6.177 1.00 0.00 O ATOM 479 CB SER A 32 -7.118 -9.287 -5.599 1.00 0.00 C ATOM 480 OG SER A 32 -7.313 -9.440 -4.205 1.00 0.00 O ATOM 0 H SER A 32 -7.173 -8.539 -7.997 1.00 0.00 H new ATOM 0 HA SER A 32 -9.221 -9.099 -6.008 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.988 -10.266 -6.060 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.202 -8.725 -5.780 1.00 0.00 H new ATOM 0 HG SER A 32 -6.543 -9.905 -3.816 1.00 0.00 H new ATOM 486 N GLU A 33 -9.306 -6.957 -4.750 1.00 0.00 N ATOM 487 CA GLU A 33 -9.493 -5.673 -4.117 1.00 0.00 C ATOM 488 C GLU A 33 -9.839 -5.828 -2.654 1.00 0.00 C ATOM 489 O GLU A 33 -10.656 -6.668 -2.270 1.00 0.00 O ATOM 490 CB GLU A 33 -10.545 -4.830 -4.831 1.00 0.00 C ATOM 491 CG GLU A 33 -11.958 -5.362 -4.755 1.00 0.00 C ATOM 492 CD GLU A 33 -12.959 -4.358 -5.262 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.317 -3.439 -4.503 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.387 -4.471 -6.425 1.00 0.00 O ATOM 0 H GLU A 33 -9.911 -7.694 -4.388 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.543 -5.144 -4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.529 -3.825 -4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.264 -4.740 -5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.034 -6.279 -5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.194 -5.622 -3.723 1.00 0.00 H new ATOM 501 N ILE A 34 -9.206 -5.030 -1.832 1.00 0.00 N ATOM 502 CA ILE A 34 -9.429 -5.051 -0.406 1.00 0.00 C ATOM 503 C ILE A 34 -9.665 -3.646 0.115 1.00 0.00 C ATOM 504 O ILE A 34 -8.884 -2.734 -0.150 1.00 0.00 O ATOM 505 CB ILE A 34 -8.233 -5.684 0.338 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.911 -5.118 -0.206 1.00 0.00 C ATOM 507 CG2 ILE A 34 -8.271 -7.203 0.217 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.673 -5.678 0.456 1.00 0.00 C ATOM 0 H ILE A 34 -8.516 -4.342 -2.134 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.314 -5.659 -0.220 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.303 -5.431 1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.858 -5.317 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.916 -4.035 -0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.421 -7.632 0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.197 -7.580 0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.223 -7.486 -0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.787 -5.225 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.699 -5.456 1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.640 -6.758 0.311 1.00 0.00 H new ATOM 520 N HIS A 35 -10.753 -3.458 0.832 1.00 0.00 N ATOM 521 CA HIS A 35 -11.075 -2.155 1.402 1.00 0.00 C ATOM 522 C HIS A 35 -10.748 -2.161 2.874 1.00 0.00 C ATOM 523 O HIS A 35 -11.233 -3.011 3.622 1.00 0.00 O ATOM 524 CB HIS A 35 -12.561 -1.803 1.214 1.00 0.00 C ATOM 525 CG HIS A 35 -13.021 -1.710 -0.213 1.00 0.00 C ATOM 526 ND1 HIS A 35 -13.791 -0.671 -0.694 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.865 -2.563 -1.252 1.00 0.00 C ATOM 528 CE1 HIS A 35 -14.093 -0.900 -1.956 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.541 -2.039 -2.314 1.00 0.00 N ATOM 0 H HIS A 35 -11.434 -4.189 1.037 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.481 -1.403 0.882 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -13.163 -2.554 1.725 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.757 -0.850 1.705 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.308 -3.488 -1.242 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.692 -0.261 -2.589 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.608 -2.463 -3.239 1.00 0.00 H new ATOM 538 N PHE A 36 -9.929 -1.238 3.296 1.00 0.00 N ATOM 539 CA PHE A 36 -9.544 -1.153 4.688 1.00 0.00 C ATOM 540 C PHE A 36 -9.700 0.251 5.211 1.00 0.00 C ATOM 541 O PHE A 36 -9.608 1.227 4.464 1.00 0.00 O ATOM 542 CB PHE A 36 -8.108 -1.636 4.897 1.00 0.00 C ATOM 543 CG PHE A 36 -7.957 -3.127 4.850 1.00 0.00 C ATOM 544 CD1 PHE A 36 -8.357 -3.907 5.923 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.415 -3.749 3.741 1.00 0.00 C ATOM 546 CE1 PHE A 36 -8.220 -5.279 5.889 1.00 0.00 C ATOM 547 CE2 PHE A 36 -7.275 -5.121 3.703 1.00 0.00 C ATOM 548 CZ PHE A 36 -7.677 -5.887 4.778 1.00 0.00 C ATOM 0 H PHE A 36 -9.510 -0.527 2.696 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.212 -1.807 5.249 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.470 -1.192 4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.750 -1.274 5.861 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.781 -3.435 6.797 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.098 -3.155 2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.538 -5.876 6.731 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.850 -5.596 2.831 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.566 -6.961 4.749 1.00 0.00 H new ATOM 558 N LYS A 37 -9.943 0.356 6.491 1.00 0.00 N ATOM 559 CA LYS A 37 -10.102 1.634 7.127 1.00 0.00 C ATOM 560 C LYS A 37 -8.785 2.074 7.729 1.00 0.00 C ATOM 561 O LYS A 37 -8.114 1.309 8.421 1.00 0.00 O ATOM 562 CB LYS A 37 -11.178 1.563 8.194 1.00 0.00 C ATOM 563 CG LYS A 37 -11.524 2.908 8.810 1.00 0.00 C ATOM 564 CD LYS A 37 -12.607 2.761 9.855 1.00 0.00 C ATOM 565 CE LYS A 37 -12.146 1.882 10.998 1.00 0.00 C ATOM 566 NZ LYS A 37 -13.236 1.619 11.967 1.00 0.00 N ATOM 0 H LYS A 37 -10.036 -0.442 7.120 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.410 2.366 6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.079 1.131 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.849 0.887 8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.634 3.345 9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.856 3.595 8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.884 3.744 10.237 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.500 2.332 9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.776 0.936 10.602 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.312 2.361 11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.880 1.014 12.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.572 2.519 12.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.022 1.139 11.484 1.00 0.00 H new ATOM 580 N VAL A 38 -8.417 3.297 7.468 1.00 0.00 N ATOM 581 CA VAL A 38 -7.153 3.840 7.900 1.00 0.00 C ATOM 582 C VAL A 38 -7.343 5.244 8.457 1.00 0.00 C ATOM 583 O VAL A 38 -8.446 5.787 8.444 1.00 0.00 O ATOM 584 CB VAL A 38 -6.127 3.880 6.727 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.838 2.477 6.215 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.616 4.775 5.589 1.00 0.00 C ATOM 0 H VAL A 38 -8.992 3.956 6.943 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.762 3.189 8.682 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.201 4.306 7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.120 2.529 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.425 1.873 7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.762 2.022 5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.877 4.781 4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.563 4.393 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.757 5.790 5.960 1.00 0.00 H new ATOM 622 N MET A 40 -5.238 9.252 8.947 1.00 0.00 N ATOM 623 CA MET A 40 -4.653 10.238 8.062 1.00 0.00 C ATOM 624 C MET A 40 -3.180 9.926 7.797 1.00 0.00 C ATOM 625 O MET A 40 -2.689 10.092 6.686 1.00 0.00 O ATOM 626 CB MET A 40 -4.823 11.642 8.656 1.00 0.00 C ATOM 627 CG MET A 40 -4.415 12.791 7.737 1.00 0.00 C ATOM 628 SD MET A 40 -5.653 13.206 6.460 1.00 0.00 S ATOM 629 CE MET A 40 -5.605 11.785 5.362 1.00 0.00 C ATOM 0 HA MET A 40 -5.174 10.203 7.105 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.868 11.776 8.937 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.236 11.705 9.572 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.225 13.676 8.344 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.476 12.533 7.247 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.732 12.117 4.332 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.645 11.278 5.464 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.408 11.096 5.623 1.00 0.00 H new ATOM 639 N THR A 41 -2.487 9.442 8.806 1.00 0.00 N ATOM 640 CA THR A 41 -1.066 9.154 8.685 1.00 0.00 C ATOM 641 C THR A 41 -0.759 7.647 8.698 1.00 0.00 C ATOM 642 O THR A 41 0.342 7.232 9.068 1.00 0.00 O ATOM 643 CB THR A 41 -0.278 9.852 9.806 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.881 9.567 11.073 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.256 11.353 9.588 1.00 0.00 C ATOM 0 H THR A 41 -2.883 9.238 9.724 1.00 0.00 H new ATOM 0 HA THR A 41 -0.753 9.542 7.715 1.00 0.00 H new ATOM 0 HB THR A 41 0.745 9.477 9.792 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.374 10.012 11.784 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.306 11.829 10.391 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.219 11.575 8.632 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.277 11.735 9.584 1.00 0.00 H new ATOM 653 N THR A 42 -1.713 6.829 8.271 1.00 0.00 N ATOM 654 CA THR A 42 -1.510 5.383 8.232 1.00 0.00 C ATOM 655 C THR A 42 -0.465 4.991 7.196 1.00 0.00 C ATOM 656 O THR A 42 -0.535 5.401 6.034 1.00 0.00 O ATOM 657 CB THR A 42 -2.818 4.634 7.908 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.791 4.919 8.903 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.585 3.129 7.853 1.00 0.00 C ATOM 0 H THR A 42 -2.630 7.138 7.948 1.00 0.00 H new ATOM 0 HA THR A 42 -1.164 5.099 9.226 1.00 0.00 H new ATOM 0 HB THR A 42 -3.171 4.970 6.933 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.293 4.104 9.113 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.523 2.624 7.623 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.851 2.902 7.079 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.214 2.783 8.818 1.00 0.00 H new ATOM 667 N HIS A 43 0.513 4.210 7.615 1.00 0.00 N ATOM 668 CA HIS A 43 1.499 3.686 6.699 1.00 0.00 C ATOM 669 C HIS A 43 0.910 2.482 5.999 1.00 0.00 C ATOM 670 O HIS A 43 0.762 1.409 6.585 1.00 0.00 O ATOM 671 CB HIS A 43 2.797 3.312 7.425 1.00 0.00 C ATOM 672 CG HIS A 43 3.575 4.494 7.920 1.00 0.00 C ATOM 673 ND1 HIS A 43 4.942 4.489 8.072 1.00 0.00 N ATOM 674 CD2 HIS A 43 3.167 5.725 8.303 1.00 0.00 C ATOM 675 CE1 HIS A 43 5.338 5.660 8.528 1.00 0.00 C ATOM 676 NE2 HIS A 43 4.281 6.428 8.676 1.00 0.00 N ATOM 0 H HIS A 43 0.643 3.926 8.586 1.00 0.00 H new ATOM 0 HA HIS A 43 1.755 4.453 5.968 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.557 2.667 8.270 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.426 2.732 6.750 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.150 6.087 8.313 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.358 5.941 8.744 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.290 7.390 9.014 1.00 0.00 H new ATOM 685 N LEU A 44 0.543 2.669 4.749 1.00 0.00 N ATOM 686 CA LEU A 44 -0.114 1.626 3.964 1.00 0.00 C ATOM 687 C LEU A 44 0.787 0.434 3.705 1.00 0.00 C ATOM 688 O LEU A 44 0.337 -0.596 3.218 1.00 0.00 O ATOM 689 CB LEU A 44 -0.625 2.188 2.648 1.00 0.00 C ATOM 690 CG LEU A 44 -1.671 3.285 2.768 1.00 0.00 C ATOM 691 CD1 LEU A 44 -2.129 3.723 1.395 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.852 2.811 3.604 1.00 0.00 C ATOM 0 H LEU A 44 0.688 3.543 4.243 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.956 1.272 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.223 2.579 2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.046 1.371 2.063 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.221 4.141 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.878 4.509 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.277 4.103 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.563 2.873 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.589 3.610 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.307 1.941 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.507 2.542 4.602 1.00 0.00 H new ATOM 704 N LYS A 45 2.053 0.574 4.021 1.00 0.00 N ATOM 705 CA LYS A 45 3.012 -0.479 3.846 1.00 0.00 C ATOM 706 C LYS A 45 2.550 -1.758 4.536 1.00 0.00 C ATOM 707 O LYS A 45 2.505 -2.832 3.926 1.00 0.00 O ATOM 708 CB LYS A 45 4.342 -0.022 4.417 1.00 0.00 C ATOM 709 CG LYS A 45 5.427 -1.072 4.428 1.00 0.00 C ATOM 710 CD LYS A 45 5.686 -1.610 3.045 1.00 0.00 C ATOM 711 CE LYS A 45 6.973 -2.386 3.017 1.00 0.00 C ATOM 712 NZ LYS A 45 7.349 -2.804 1.644 1.00 0.00 N ATOM 0 H LYS A 45 2.445 1.432 4.410 1.00 0.00 H new ATOM 0 HA LYS A 45 3.118 -0.698 2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.692 0.835 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.182 0.324 5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.345 -0.644 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.138 -1.889 5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.860 -2.252 2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.734 -0.788 2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.771 -1.776 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.876 -3.269 3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.242 -3.336 1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.601 -3.408 1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.468 -1.962 1.045 1.00 0.00 H new ATOM 726 N LYS A 46 2.168 -1.629 5.796 1.00 0.00 N ATOM 727 CA LYS A 46 1.737 -2.764 6.593 1.00 0.00 C ATOM 728 C LYS A 46 0.451 -3.382 6.024 1.00 0.00 C ATOM 729 O LYS A 46 0.222 -4.586 6.150 1.00 0.00 O ATOM 730 CB LYS A 46 1.551 -2.329 8.063 1.00 0.00 C ATOM 731 CG LYS A 46 1.326 -3.469 9.058 1.00 0.00 C ATOM 732 CD LYS A 46 -0.140 -3.865 9.180 1.00 0.00 C ATOM 733 CE LYS A 46 -0.973 -2.754 9.801 1.00 0.00 C ATOM 734 NZ LYS A 46 -2.342 -3.215 10.138 1.00 0.00 N ATOM 0 H LYS A 46 2.148 -0.738 6.293 1.00 0.00 H new ATOM 0 HA LYS A 46 2.507 -3.534 6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.432 -1.767 8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.702 -1.647 8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.907 -4.337 8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.700 -3.170 10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.535 -4.108 8.193 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.224 -4.766 9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.480 -2.390 10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.032 -1.914 9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.879 -2.430 10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.822 -3.539 9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.286 -4.000 10.818 1.00 0.00 H new ATOM 748 N LEU A 47 -0.368 -2.570 5.353 1.00 0.00 N ATOM 749 CA LEU A 47 -1.611 -3.061 4.781 1.00 0.00 C ATOM 750 C LEU A 47 -1.275 -3.987 3.626 1.00 0.00 C ATOM 751 O LEU A 47 -1.788 -5.105 3.524 1.00 0.00 O ATOM 752 CB LEU A 47 -2.489 -1.877 4.294 1.00 0.00 C ATOM 753 CG LEU A 47 -3.941 -2.207 3.855 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.736 -0.931 3.653 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.971 -3.032 2.572 1.00 0.00 C ATOM 0 H LEU A 47 -0.190 -1.578 5.196 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.178 -3.605 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.537 -1.140 5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.981 -1.402 3.454 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.392 -2.798 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.752 -1.180 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.767 -0.370 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.261 -0.325 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.005 -3.242 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.489 -2.474 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.440 -3.971 2.730 1.00 0.00 H new ATOM 767 N LYS A 48 -0.391 -3.521 2.756 1.00 0.00 N ATOM 768 CA LYS A 48 0.018 -4.292 1.604 1.00 0.00 C ATOM 769 C LYS A 48 0.676 -5.590 2.032 1.00 0.00 C ATOM 770 O LYS A 48 0.399 -6.641 1.466 1.00 0.00 O ATOM 771 CB LYS A 48 0.954 -3.491 0.696 1.00 0.00 C ATOM 772 CG LYS A 48 0.250 -2.494 -0.231 1.00 0.00 C ATOM 773 CD LYS A 48 -0.433 -1.383 0.537 1.00 0.00 C ATOM 774 CE LYS A 48 -0.945 -0.292 -0.380 1.00 0.00 C ATOM 775 NZ LYS A 48 0.151 0.347 -1.153 1.00 0.00 N ATOM 0 H LYS A 48 0.056 -2.607 2.832 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.879 -4.529 1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.665 -2.948 1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.531 -4.187 0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.978 -2.064 -0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.487 -3.021 -0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.264 -1.795 1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.267 -0.955 1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.677 -0.712 -1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.461 0.465 0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.062 1.381 -1.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.069 0.055 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.091 0.053 -2.149 1.00 0.00 H new ATOM 789 N GLU A 49 1.570 -5.523 3.023 1.00 0.00 N ATOM 790 CA GLU A 49 2.216 -6.722 3.556 1.00 0.00 C ATOM 791 C GLU A 49 1.189 -7.773 3.967 1.00 0.00 C ATOM 792 O GLU A 49 1.351 -8.955 3.668 1.00 0.00 O ATOM 793 CB GLU A 49 3.109 -6.379 4.742 1.00 0.00 C ATOM 794 CG GLU A 49 4.277 -5.478 4.396 1.00 0.00 C ATOM 795 CD GLU A 49 5.203 -5.272 5.566 1.00 0.00 C ATOM 796 OE1 GLU A 49 4.987 -4.329 6.343 1.00 0.00 O ATOM 797 OE2 GLU A 49 6.148 -6.074 5.727 1.00 0.00 O ATOM 0 H GLU A 49 1.861 -4.653 3.470 1.00 0.00 H new ATOM 0 HA GLU A 49 2.833 -7.137 2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.505 -5.895 5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.492 -7.303 5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.834 -5.911 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.901 -4.512 4.058 1.00 0.00 H new ATOM 804 N SER A 50 0.128 -7.346 4.650 1.00 0.00 N ATOM 805 CA SER A 50 -0.930 -8.261 5.053 1.00 0.00 C ATOM 806 C SER A 50 -1.541 -8.941 3.821 1.00 0.00 C ATOM 807 O SER A 50 -1.746 -10.157 3.791 1.00 0.00 O ATOM 808 CB SER A 50 -2.006 -7.509 5.842 1.00 0.00 C ATOM 809 OG SER A 50 -1.445 -6.848 6.970 1.00 0.00 O ATOM 0 H SER A 50 -0.018 -6.377 4.933 1.00 0.00 H new ATOM 0 HA SER A 50 -0.504 -9.031 5.696 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.493 -6.780 5.195 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.775 -8.208 6.171 1.00 0.00 H new ATOM 0 HG SER A 50 -0.918 -6.079 6.669 1.00 0.00 H new ATOM 815 N TYR A 51 -1.792 -8.150 2.786 1.00 0.00 N ATOM 816 CA TYR A 51 -2.327 -8.655 1.530 1.00 0.00 C ATOM 817 C TYR A 51 -1.350 -9.624 0.865 1.00 0.00 C ATOM 818 O TYR A 51 -1.756 -10.645 0.314 1.00 0.00 O ATOM 819 CB TYR A 51 -2.665 -7.477 0.588 1.00 0.00 C ATOM 820 CG TYR A 51 -2.326 -7.716 -0.871 1.00 0.00 C ATOM 821 CD1 TYR A 51 -3.167 -8.447 -1.700 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.149 -7.216 -1.406 1.00 0.00 C ATOM 823 CE1 TYR A 51 -2.839 -8.671 -3.025 1.00 0.00 C ATOM 824 CE2 TYR A 51 -0.814 -7.436 -2.722 1.00 0.00 C ATOM 825 CZ TYR A 51 -1.660 -8.162 -3.529 1.00 0.00 C ATOM 826 OH TYR A 51 -1.316 -8.390 -4.842 1.00 0.00 O ATOM 0 H TYR A 51 -1.631 -7.143 2.794 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.243 -9.207 1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.730 -7.259 0.669 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.131 -6.591 0.931 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.090 -8.846 -1.305 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.483 -6.643 -0.778 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.501 -9.240 -3.660 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.109 -7.041 -3.120 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.804 -7.767 -5.421 1.00 0.00 H new ATOM 836 N CYS A 52 -0.063 -9.330 0.933 1.00 0.00 N ATOM 837 CA CYS A 52 0.937 -10.171 0.294 1.00 0.00 C ATOM 838 C CYS A 52 1.062 -11.502 1.012 1.00 0.00 C ATOM 839 O CYS A 52 1.179 -12.547 0.384 1.00 0.00 O ATOM 840 CB CYS A 52 2.293 -9.466 0.261 1.00 0.00 C ATOM 841 SG CYS A 52 2.248 -7.822 -0.481 1.00 0.00 S ATOM 0 H CYS A 52 0.314 -8.518 1.422 1.00 0.00 H new ATOM 0 HA CYS A 52 0.613 -10.357 -0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.673 -9.383 1.279 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.999 -10.084 -0.293 1.00 0.00 H new ATOM 0 HG CYS A 52 1.398 -7.079 0.163 1.00 0.00 H new ATOM 847 N GLN A 53 1.018 -11.468 2.334 1.00 0.00 N ATOM 848 CA GLN A 53 1.135 -12.677 3.136 1.00 0.00 C ATOM 849 C GLN A 53 -0.102 -13.547 2.992 1.00 0.00 C ATOM 850 O GLN A 53 -0.014 -14.770 2.947 1.00 0.00 O ATOM 851 CB GLN A 53 1.364 -12.326 4.599 1.00 0.00 C ATOM 852 CG GLN A 53 2.633 -11.530 4.839 1.00 0.00 C ATOM 853 CD GLN A 53 2.801 -11.140 6.285 1.00 0.00 C ATOM 854 OE1 GLN A 53 3.412 -11.863 7.065 1.00 0.00 O ATOM 855 NE2 GLN A 53 2.258 -10.000 6.652 1.00 0.00 N ATOM 0 H GLN A 53 0.902 -10.613 2.877 1.00 0.00 H new ATOM 0 HA GLN A 53 1.994 -13.241 2.772 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.511 -11.754 4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.405 -13.246 5.183 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.494 -12.119 4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.617 -10.631 4.222 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.758 -9.430 5.969 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.336 -9.686 7.619 1.00 0.00 H new ATOM 864 N ARG A 54 -1.262 -12.915 2.894 1.00 0.00 N ATOM 865 CA ARG A 54 -2.511 -13.644 2.731 1.00 0.00 C ATOM 866 C ARG A 54 -2.553 -14.303 1.355 1.00 0.00 C ATOM 867 O ARG A 54 -3.038 -15.420 1.193 1.00 0.00 O ATOM 868 CB ARG A 54 -3.704 -12.707 2.906 1.00 0.00 C ATOM 869 CG ARG A 54 -5.041 -13.401 2.772 1.00 0.00 C ATOM 870 CD ARG A 54 -6.194 -12.437 2.948 1.00 0.00 C ATOM 871 NE ARG A 54 -7.482 -13.110 2.814 1.00 0.00 N ATOM 872 CZ ARG A 54 -8.537 -12.599 2.175 1.00 0.00 C ATOM 873 NH1 ARG A 54 -8.469 -11.387 1.633 1.00 0.00 N ATOM 874 NH2 ARG A 54 -9.662 -13.296 2.089 1.00 0.00 N ATOM 0 H ARG A 54 -1.365 -11.901 2.924 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.567 -14.418 3.496 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.645 -12.236 3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.642 -11.910 2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.109 -13.874 1.792 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.114 -14.195 3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.129 -11.966 3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.120 -11.641 2.207 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.583 -14.033 3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.609 -10.844 1.704 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.277 -11.000 1.146 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.721 -14.223 2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.468 -12.905 1.601 1.00 0.00 H new ATOM 888 N GLN A 55 -2.023 -13.604 0.367 1.00 0.00 N ATOM 889 CA GLN A 55 -1.958 -14.112 -0.997 1.00 0.00 C ATOM 890 C GLN A 55 -0.761 -15.050 -1.151 1.00 0.00 C ATOM 891 O GLN A 55 -0.627 -15.763 -2.145 1.00 0.00 O ATOM 892 CB GLN A 55 -1.855 -12.942 -1.987 1.00 0.00 C ATOM 893 CG GLN A 55 -3.195 -12.294 -2.372 1.00 0.00 C ATOM 894 CD GLN A 55 -4.274 -12.406 -1.307 1.00 0.00 C ATOM 895 OE1 GLN A 55 -5.048 -13.361 -1.292 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.338 -11.435 -0.420 1.00 0.00 N ATOM 0 H GLN A 55 -1.626 -12.672 0.484 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.867 -14.673 -1.213 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.210 -12.177 -1.555 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.366 -13.296 -2.895 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.026 -11.240 -2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.558 -12.756 -3.290 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.678 -10.659 -0.465 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.048 -11.459 0.312 1.00 0.00 H new ATOM 905 N GLY A 56 0.104 -15.033 -0.151 1.00 0.00 N ATOM 906 CA GLY A 56 1.282 -15.879 -0.141 1.00 0.00 C ATOM 907 C GLY A 56 2.273 -15.514 -1.228 1.00 0.00 C ATOM 908 O GLY A 56 2.891 -16.388 -1.845 1.00 0.00 O ATOM 0 H GLY A 56 0.009 -14.436 0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.770 -15.803 0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.979 -16.919 -0.265 1.00 0.00 H new ATOM 912 N VAL A 57 2.427 -14.229 -1.476 1.00 0.00 N ATOM 913 CA VAL A 57 3.347 -13.758 -2.497 1.00 0.00 C ATOM 914 C VAL A 57 4.543 -13.035 -1.895 1.00 0.00 C ATOM 915 O VAL A 57 4.491 -12.565 -0.753 1.00 0.00 O ATOM 916 CB VAL A 57 2.660 -12.845 -3.543 1.00 0.00 C ATOM 917 CG1 VAL A 57 2.008 -13.680 -4.625 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.645 -11.924 -2.884 1.00 0.00 C ATOM 0 H VAL A 57 1.926 -13.489 -0.984 1.00 0.00 H new ATOM 0 HA VAL A 57 3.699 -14.654 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 57 3.425 -12.220 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.530 -13.024 -5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.765 -14.284 -5.124 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.259 -14.334 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.179 -11.295 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.880 -12.521 -2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.148 -11.295 -2.149 1.00 0.00 H new ATOM 928 N PRO A 58 5.637 -12.934 -2.664 1.00 0.00 N ATOM 929 CA PRO A 58 6.852 -12.277 -2.224 1.00 0.00 C ATOM 930 C PRO A 58 6.741 -10.763 -2.352 1.00 0.00 C ATOM 931 O PRO A 58 6.392 -10.237 -3.414 1.00 0.00 O ATOM 932 CB PRO A 58 7.932 -12.820 -3.177 1.00 0.00 C ATOM 933 CG PRO A 58 7.216 -13.666 -4.197 1.00 0.00 C ATOM 934 CD PRO A 58 5.756 -13.430 -4.032 1.00 0.00 C ATOM 0 HA PRO A 58 7.070 -12.473 -1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.470 -12.004 -3.659 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.669 -13.410 -2.632 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.535 -13.402 -5.205 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.452 -14.720 -4.054 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.384 -12.704 -4.755 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.184 -14.346 -4.177 1.00 0.00 H new ATOM 942 N MET A 59 7.053 -10.057 -1.277 1.00 0.00 N ATOM 943 CA MET A 59 6.930 -8.605 -1.244 1.00 0.00 C ATOM 944 C MET A 59 7.921 -7.937 -2.201 1.00 0.00 C ATOM 945 O MET A 59 7.706 -6.823 -2.659 1.00 0.00 O ATOM 946 CB MET A 59 7.100 -8.082 0.194 1.00 0.00 C ATOM 947 CG MET A 59 8.497 -8.239 0.770 1.00 0.00 C ATOM 948 SD MET A 59 9.609 -6.908 0.287 1.00 0.00 S ATOM 949 CE MET A 59 11.126 -7.486 1.019 1.00 0.00 C ATOM 0 H MET A 59 7.396 -10.468 -0.409 1.00 0.00 H new ATOM 0 HA MET A 59 5.928 -8.343 -1.585 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.830 -7.026 0.215 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.395 -8.604 0.841 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.434 -8.276 1.858 1.00 0.00 H new ATOM 0 HG3 MET A 59 8.915 -9.191 0.442 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.924 -6.773 0.813 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.996 -7.584 2.097 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.388 -8.456 0.596 1.00 0.00 H new ATOM 959 N ASN A 60 9.013 -8.628 -2.489 1.00 0.00 N ATOM 960 CA ASN A 60 10.041 -8.105 -3.388 1.00 0.00 C ATOM 961 C ASN A 60 9.689 -8.404 -4.833 1.00 0.00 C ATOM 962 O ASN A 60 10.315 -7.904 -5.768 1.00 0.00 O ATOM 963 CB ASN A 60 11.410 -8.710 -3.044 1.00 0.00 C ATOM 964 CG ASN A 60 11.526 -10.179 -3.434 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.919 -10.507 -4.551 1.00 0.00 O ATOM 966 ND2 ASN A 60 11.189 -11.066 -2.513 1.00 0.00 N ATOM 0 H ASN A 60 9.214 -9.555 -2.114 1.00 0.00 H new ATOM 0 HA ASN A 60 10.091 -7.024 -3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.190 -8.142 -3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.587 -8.609 -1.973 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.251 -12.063 -2.719 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.867 -10.753 -1.597 1.00 0.00 H new ATOM 973 N SER A 61 8.684 -9.221 -5.013 1.00 0.00 N ATOM 974 CA SER A 61 8.253 -9.631 -6.323 1.00 0.00 C ATOM 975 C SER A 61 7.032 -8.860 -6.775 1.00 0.00 C ATOM 976 O SER A 61 6.751 -8.750 -7.967 1.00 0.00 O ATOM 977 CB SER A 61 7.948 -11.096 -6.291 1.00 0.00 C ATOM 978 OG SER A 61 9.133 -11.853 -6.143 1.00 0.00 O ATOM 0 H SER A 61 8.139 -9.623 -4.250 1.00 0.00 H new ATOM 0 HA SER A 61 9.052 -9.424 -7.035 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.268 -11.312 -5.467 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.438 -11.386 -7.210 1.00 0.00 H new ATOM 0 HG SER A 61 9.084 -12.651 -6.710 1.00 0.00 H new ATOM 984 N LEU A 62 6.291 -8.356 -5.840 1.00 0.00 N ATOM 985 CA LEU A 62 5.129 -7.594 -6.166 1.00 0.00 C ATOM 986 C LEU A 62 5.333 -6.119 -5.778 1.00 0.00 C ATOM 987 O LEU A 62 6.134 -5.801 -4.896 1.00 0.00 O ATOM 988 CB LEU A 62 3.866 -8.264 -5.535 1.00 0.00 C ATOM 989 CG LEU A 62 3.327 -7.760 -4.184 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.400 -7.686 -3.137 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.598 -6.456 -4.340 1.00 0.00 C ATOM 0 H LEU A 62 6.471 -8.459 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 62 4.960 -7.589 -7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.057 -8.179 -6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.083 -9.326 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 62 2.605 -8.495 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.972 -7.325 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.826 -8.677 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.182 -7.002 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.230 -6.127 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.277 -5.705 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.757 -6.588 -5.021 1.00 0.00 H new ATOM 1003 N ARG A 63 4.643 -5.227 -6.451 1.00 0.00 N ATOM 1004 CA ARG A 63 4.797 -3.800 -6.184 1.00 0.00 C ATOM 1005 C ARG A 63 3.469 -3.088 -6.063 1.00 0.00 C ATOM 1006 O ARG A 63 2.498 -3.414 -6.752 1.00 0.00 O ATOM 1007 CB ARG A 63 5.679 -3.097 -7.236 1.00 0.00 C ATOM 1008 CG ARG A 63 5.147 -3.125 -8.671 1.00 0.00 C ATOM 1009 CD ARG A 63 5.380 -4.469 -9.342 1.00 0.00 C ATOM 1010 NE ARG A 63 6.796 -4.856 -9.306 1.00 0.00 N ATOM 1011 CZ ARG A 63 7.445 -5.464 -10.302 1.00 0.00 C ATOM 1012 NH1 ARG A 63 6.822 -5.765 -11.429 1.00 0.00 N ATOM 1013 NH2 ARG A 63 8.725 -5.771 -10.157 1.00 0.00 N ATOM 0 H ARG A 63 3.972 -5.454 -7.185 1.00 0.00 H new ATOM 0 HA ARG A 63 5.303 -3.738 -5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.811 -2.057 -6.937 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.666 -3.560 -7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.080 -2.903 -8.666 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.633 -2.341 -9.252 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.781 -5.232 -8.845 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.042 -4.422 -10.377 1.00 0.00 H new ATOM 0 HE ARG A 63 7.322 -4.645 -8.458 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.836 -5.533 -11.544 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.328 -6.229 -12.183 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.209 -5.543 -9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.227 -6.236 -10.914 1.00 0.00 H new ATOM 1027 N PHE A 64 3.428 -2.114 -5.174 1.00 0.00 N ATOM 1028 CA PHE A 64 2.240 -1.320 -4.943 1.00 0.00 C ATOM 1029 C PHE A 64 2.496 0.114 -5.350 1.00 0.00 C ATOM 1030 O PHE A 64 3.349 0.791 -4.770 1.00 0.00 O ATOM 1031 CB PHE A 64 1.831 -1.361 -3.464 1.00 0.00 C ATOM 1032 CG PHE A 64 2.689 -2.254 -2.600 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.499 -3.624 -2.597 1.00 0.00 C ATOM 1034 CD2 PHE A 64 3.678 -1.717 -1.788 1.00 0.00 C ATOM 1035 CE1 PHE A 64 3.277 -4.447 -1.807 1.00 0.00 C ATOM 1036 CE2 PHE A 64 4.459 -2.535 -0.993 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.259 -3.903 -1.004 1.00 0.00 C ATOM 0 H PHE A 64 4.222 -1.851 -4.590 1.00 0.00 H new ATOM 0 HA PHE A 64 1.430 -1.737 -5.542 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.865 -0.348 -3.063 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.796 -1.697 -3.396 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.731 -4.056 -3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.839 -0.649 -1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.117 -5.515 -1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.225 -2.106 -0.364 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.870 -4.544 -0.386 1.00 0.00 H new ATOM 1047 N LEU A 65 1.774 0.585 -6.334 1.00 0.00 N ATOM 1048 CA LEU A 65 1.955 1.933 -6.813 1.00 0.00 C ATOM 1049 C LEU A 65 0.644 2.696 -6.929 1.00 0.00 C ATOM 1050 O LEU A 65 -0.438 2.117 -6.998 1.00 0.00 O ATOM 1051 CB LEU A 65 2.732 1.933 -8.145 1.00 0.00 C ATOM 1052 CG LEU A 65 2.354 0.848 -9.165 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.967 1.085 -9.728 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.383 0.794 -10.281 1.00 0.00 C ATOM 0 H LEU A 65 1.052 0.054 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 65 2.547 2.464 -6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.597 2.906 -8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.794 1.833 -7.919 1.00 0.00 H new ATOM 0 HG LEU A 65 2.344 -0.113 -8.651 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.727 0.301 -10.447 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.238 1.070 -8.918 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.937 2.055 -10.225 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.103 0.021 -10.997 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.423 1.759 -10.786 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.362 0.563 -9.862 1.00 0.00 H new ATOM 1066 N PHE A 66 0.753 4.001 -6.906 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.382 4.882 -7.057 1.00 0.00 C ATOM 1068 C PHE A 66 0.008 6.037 -7.952 1.00 0.00 C ATOM 1069 O PHE A 66 0.980 6.725 -7.683 1.00 0.00 O ATOM 1070 CB PHE A 66 -0.858 5.400 -5.690 1.00 0.00 C ATOM 1071 CG PHE A 66 -1.975 6.398 -5.781 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.173 6.048 -6.368 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -1.824 7.686 -5.288 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.203 6.954 -6.465 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -2.853 8.600 -5.380 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.045 8.235 -5.970 1.00 0.00 C ATOM 0 H PHE A 66 1.640 4.488 -6.781 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.207 4.330 -7.509 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.186 4.555 -5.085 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.016 5.857 -5.170 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.304 5.049 -6.757 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.891 7.976 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.135 6.665 -6.928 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.726 9.599 -4.991 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.853 8.948 -6.045 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.735 6.236 -9.031 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.448 7.282 -10.015 1.00 0.00 C ATOM 1088 C GLU A 67 0.978 7.175 -10.572 1.00 0.00 C ATOM 1089 O GLU A 67 1.542 8.148 -11.072 1.00 0.00 O ATOM 1090 CB GLU A 67 -0.698 8.674 -9.423 1.00 0.00 C ATOM 1091 CG GLU A 67 -2.137 8.895 -8.988 1.00 0.00 C ATOM 1092 CD GLU A 67 -3.131 8.555 -10.080 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -3.409 9.424 -10.930 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -3.633 7.413 -10.100 1.00 0.00 O ATOM 0 H GLU A 67 -1.558 5.677 -9.254 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.133 7.133 -10.850 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.041 8.820 -8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.430 9.429 -10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.345 8.285 -8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.268 9.936 -8.693 1.00 0.00 H new ATOM 1101 N GLY A 68 1.541 5.978 -10.522 1.00 0.00 N ATOM 1102 CA GLY A 68 2.859 5.749 -11.068 1.00 0.00 C ATOM 1103 C GLY A 68 3.966 5.854 -10.038 1.00 0.00 C ATOM 1104 O GLY A 68 5.148 5.811 -10.381 1.00 0.00 O ATOM 0 H GLY A 68 1.103 5.155 -10.109 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.889 4.759 -11.522 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.044 6.470 -11.864 1.00 0.00 H new ATOM 1108 N GLN A 69 3.609 5.982 -8.769 1.00 0.00 N ATOM 1109 CA GLN A 69 4.609 6.095 -7.726 1.00 0.00 C ATOM 1110 C GLN A 69 4.530 4.907 -6.794 1.00 0.00 C ATOM 1111 O GLN A 69 3.444 4.500 -6.374 1.00 0.00 O ATOM 1112 CB GLN A 69 4.444 7.412 -6.951 1.00 0.00 C ATOM 1113 CG GLN A 69 3.255 7.459 -6.018 1.00 0.00 C ATOM 1114 CD GLN A 69 2.919 8.871 -5.590 1.00 0.00 C ATOM 1115 OE1 GLN A 69 3.801 9.708 -5.415 1.00 0.00 O ATOM 1116 NE2 GLN A 69 1.640 9.154 -5.459 1.00 0.00 N ATOM 0 H GLN A 69 2.643 6.010 -8.442 1.00 0.00 H new ATOM 0 HA GLN A 69 5.595 6.103 -8.191 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.349 7.591 -6.371 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.358 8.229 -7.667 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.390 7.015 -6.512 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.464 6.854 -5.136 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.939 8.429 -5.613 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.350 10.098 -5.203 1.00 0.00 H new ATOM 1125 N ARG A 70 5.671 4.341 -6.481 1.00 0.00 N ATOM 1126 CA ARG A 70 5.731 3.205 -5.589 1.00 0.00 C ATOM 1127 C ARG A 70 5.454 3.656 -4.174 1.00 0.00 C ATOM 1128 O ARG A 70 5.979 4.668 -3.724 1.00 0.00 O ATOM 1129 CB ARG A 70 7.091 2.492 -5.687 1.00 0.00 C ATOM 1130 CG ARG A 70 8.296 3.424 -5.629 1.00 0.00 C ATOM 1131 CD ARG A 70 9.609 2.661 -5.769 1.00 0.00 C ATOM 1132 NE ARG A 70 10.743 3.564 -6.007 1.00 0.00 N ATOM 1133 CZ ARG A 70 12.032 3.238 -5.823 1.00 0.00 C ATOM 1134 NH1 ARG A 70 12.363 2.029 -5.378 1.00 0.00 N ATOM 1135 NH2 ARG A 70 12.988 4.122 -6.097 1.00 0.00 N ATOM 0 H ARG A 70 6.577 4.650 -6.833 1.00 0.00 H new ATOM 0 HA ARG A 70 4.968 2.486 -5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.167 1.768 -4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.126 1.930 -6.620 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.220 4.166 -6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.290 3.967 -4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.790 2.081 -4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.531 1.951 -6.593 1.00 0.00 H new ATOM 0 HE ARG A 70 10.536 4.507 -6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.635 1.344 -5.175 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.344 1.787 -5.240 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.741 5.048 -6.447 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.967 3.874 -5.957 1.00 0.00 H new ATOM 1149 N ILE A 71 4.608 2.938 -3.479 1.00 0.00 N ATOM 1150 CA ILE A 71 4.242 3.318 -2.133 1.00 0.00 C ATOM 1151 C ILE A 71 5.352 2.970 -1.149 1.00 0.00 C ATOM 1152 O ILE A 71 5.551 1.800 -0.805 1.00 0.00 O ATOM 1153 CB ILE A 71 2.921 2.646 -1.681 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.859 2.721 -2.791 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.404 3.304 -0.408 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.531 4.126 -3.251 1.00 0.00 C ATOM 0 H ILE A 71 4.159 2.088 -3.820 1.00 0.00 H new ATOM 0 HA ILE A 71 4.091 4.398 -2.141 1.00 0.00 H new ATOM 0 HB ILE A 71 3.125 1.595 -1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.206 2.143 -3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.945 2.246 -2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.475 2.823 -0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.146 3.199 0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.220 4.362 -0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.774 4.085 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.151 4.705 -2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.431 4.601 -3.641 1.00 0.00 H new ATOM 1168 N ALA A 72 6.103 3.988 -0.725 1.00 0.00 N ATOM 1169 CA ALA A 72 7.169 3.817 0.255 1.00 0.00 C ATOM 1170 C ALA A 72 6.624 3.272 1.562 1.00 0.00 C ATOM 1171 O ALA A 72 5.426 3.384 1.851 1.00 0.00 O ATOM 1172 CB ALA A 72 7.876 5.135 0.508 1.00 0.00 C ATOM 0 H ALA A 72 5.988 4.948 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 72 7.882 3.100 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.668 4.988 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.308 5.501 -0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.161 5.865 0.888 1.00 0.00 H new ATOM 1178 N ASP A 73 7.508 2.713 2.372 1.00 0.00 N ATOM 1179 CA ASP A 73 7.128 2.117 3.648 1.00 0.00 C ATOM 1180 C ASP A 73 6.560 3.166 4.595 1.00 0.00 C ATOM 1181 O ASP A 73 5.794 2.857 5.504 1.00 0.00 O ATOM 1182 CB ASP A 73 8.334 1.439 4.309 1.00 0.00 C ATOM 1183 CG ASP A 73 9.292 2.435 4.929 1.00 0.00 C ATOM 1184 OD1 ASP A 73 10.070 3.062 4.185 1.00 0.00 O ATOM 1185 OD2 ASP A 73 9.265 2.602 6.162 1.00 0.00 O ATOM 0 H ASP A 73 8.506 2.658 2.167 1.00 0.00 H new ATOM 0 HA ASP A 73 6.360 1.371 3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.983 0.750 5.078 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.865 0.844 3.566 1.00 0.00 H new ATOM 1190 N ASN A 74 6.919 4.411 4.368 1.00 0.00 N ATOM 1191 CA ASN A 74 6.500 5.493 5.229 1.00 0.00 C ATOM 1192 C ASN A 74 5.517 6.414 4.518 1.00 0.00 C ATOM 1193 O ASN A 74 5.188 7.494 5.012 1.00 0.00 O ATOM 1194 CB ASN A 74 7.723 6.283 5.721 1.00 0.00 C ATOM 1195 CG ASN A 74 8.586 6.798 4.582 1.00 0.00 C ATOM 1196 OD1 ASN A 74 8.395 7.907 4.095 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.547 5.993 4.154 1.00 0.00 N ATOM 0 H ASN A 74 7.506 4.700 3.586 1.00 0.00 H new ATOM 0 HA ASN A 74 5.989 5.064 6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.387 7.125 6.326 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.326 5.646 6.368 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.159 6.289 3.394 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.675 5.077 4.585 1.00 0.00 H new ATOM 1204 N HIS A 75 5.026 5.986 3.360 1.00 0.00 N ATOM 1205 CA HIS A 75 4.070 6.791 2.617 1.00 0.00 C ATOM 1206 C HIS A 75 2.675 6.618 3.186 1.00 0.00 C ATOM 1207 O HIS A 75 2.268 5.516 3.557 1.00 0.00 O ATOM 1208 CB HIS A 75 4.086 6.452 1.131 1.00 0.00 C ATOM 1209 CG HIS A 75 4.688 7.531 0.278 1.00 0.00 C ATOM 1210 ND1 HIS A 75 5.031 7.344 -1.039 1.00 0.00 N ATOM 1211 CD2 HIS A 75 4.980 8.827 0.555 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.500 8.469 -1.534 1.00 0.00 C ATOM 1213 NE2 HIS A 75 5.482 9.382 -0.591 1.00 0.00 N ATOM 0 H HIS A 75 5.271 5.098 2.922 1.00 0.00 H new ATOM 0 HA HIS A 75 4.365 7.835 2.721 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.645 5.528 0.983 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.065 6.264 0.798 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.842 9.327 1.502 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.843 8.617 -2.547 1.00 0.00 H new ATOM 0 HE2 HIS A 75 5.792 10.348 -0.695 1.00 0.00 H new ATOM 1222 N THR A 76 1.941 7.708 3.251 1.00 0.00 N ATOM 1223 CA THR A 76 0.626 7.717 3.853 1.00 0.00 C ATOM 1224 C THR A 76 -0.389 8.337 2.897 1.00 0.00 C ATOM 1225 O THR A 76 0.001 8.969 1.905 1.00 0.00 O ATOM 1226 CB THR A 76 0.669 8.570 5.136 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.918 9.929 4.784 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.784 8.110 6.033 1.00 0.00 C ATOM 0 H THR A 76 2.240 8.613 2.888 1.00 0.00 H new ATOM 0 HA THR A 76 0.334 6.692 4.079 1.00 0.00 H new ATOM 0 HB THR A 76 -0.285 8.469 5.654 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.445 10.359 5.490 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.801 8.722 6.935 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.625 7.067 6.306 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.735 8.207 5.510 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.703 8.171 3.164 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.743 8.805 2.362 1.00 0.00 C ATOM 1238 C PRO A 77 -2.626 10.325 2.398 1.00 0.00 C ATOM 1239 O PRO A 77 -2.911 11.005 1.414 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.056 8.350 3.013 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.673 7.844 4.363 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.274 7.325 4.231 1.00 0.00 C ATOM 0 HA PRO A 77 -2.674 8.525 1.311 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.764 9.175 3.089 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.538 7.570 2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.725 8.639 5.106 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.351 7.056 4.691 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.718 7.422 5.164 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.259 6.269 3.960 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.171 10.858 3.532 1.00 0.00 N ATOM 1251 CA LYS A 78 -2.002 12.297 3.685 1.00 0.00 C ATOM 1252 C LYS A 78 -0.771 12.764 2.925 1.00 0.00 C ATOM 1253 O LYS A 78 -0.688 13.907 2.491 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.881 12.680 5.168 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.583 12.238 5.828 1.00 0.00 C ATOM 1256 CD LYS A 78 0.085 13.362 6.606 1.00 0.00 C ATOM 1257 CE LYS A 78 0.819 14.328 5.687 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.640 15.300 6.457 1.00 0.00 N ATOM 0 H LYS A 78 -1.914 10.313 4.355 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.883 12.789 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.971 13.762 5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.718 12.244 5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.786 11.405 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.103 11.871 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.667 13.905 7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.787 12.939 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.460 13.768 5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.097 14.867 5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.126 15.942 5.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.024 15.852 7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.345 14.787 7.024 1.00 0.00 H new ATOM 1272 N GLU A 79 0.190 11.869 2.762 1.00 0.00 N ATOM 1273 CA GLU A 79 1.418 12.191 2.073 1.00 0.00 C ATOM 1274 C GLU A 79 1.195 12.170 0.576 1.00 0.00 C ATOM 1275 O GLU A 79 1.631 13.054 -0.152 1.00 0.00 O ATOM 1276 CB GLU A 79 2.493 11.178 2.427 1.00 0.00 C ATOM 1277 CG GLU A 79 3.868 11.781 2.582 1.00 0.00 C ATOM 1278 CD GLU A 79 3.949 12.684 3.788 1.00 0.00 C ATOM 1279 OE1 GLU A 79 4.178 12.169 4.898 1.00 0.00 O ATOM 1280 OE2 GLU A 79 3.767 13.905 3.641 1.00 0.00 O ATOM 0 H GLU A 79 0.137 10.909 3.102 1.00 0.00 H new ATOM 0 HA GLU A 79 1.737 13.187 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.218 10.679 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.527 10.412 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.606 10.984 2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.120 12.348 1.686 1.00 0.00 H new ATOM 1287 N LEU A 80 0.501 11.146 0.123 1.00 0.00 N ATOM 1288 CA LEU A 80 0.237 10.950 -1.285 1.00 0.00 C ATOM 1289 C LEU A 80 -0.935 11.800 -1.771 1.00 0.00 C ATOM 1290 O LEU A 80 -1.164 11.924 -2.973 1.00 0.00 O ATOM 1291 CB LEU A 80 -0.025 9.473 -1.539 1.00 0.00 C ATOM 1292 CG LEU A 80 1.152 8.552 -1.220 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.704 7.114 -1.131 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.237 8.709 -2.264 1.00 0.00 C ATOM 0 H LEU A 80 0.103 10.425 0.724 1.00 0.00 H new ATOM 0 HA LEU A 80 1.112 11.272 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.884 9.163 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.299 9.341 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 80 1.557 8.837 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.560 6.480 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.042 7.013 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.269 6.809 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.070 8.048 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.838 8.451 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.585 9.742 -2.274 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.684 12.379 -0.842 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.802 13.232 -1.215 1.00 0.00 C ATOM 1308 C GLY A 81 -3.975 12.450 -1.770 1.00 0.00 C ATOM 1309 O GLY A 81 -4.629 12.878 -2.714 1.00 0.00 O ATOM 0 H GLY A 81 -1.540 12.275 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.128 13.798 -0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.469 13.956 -1.959 1.00 0.00 H new ATOM 1313 N MET A 82 -4.246 11.298 -1.184 1.00 0.00 N ATOM 1314 CA MET A 82 -5.343 10.450 -1.636 1.00 0.00 C ATOM 1315 C MET A 82 -6.635 10.793 -0.904 1.00 0.00 C ATOM 1316 O MET A 82 -6.623 11.498 0.111 1.00 0.00 O ATOM 1317 CB MET A 82 -4.987 8.976 -1.434 1.00 0.00 C ATOM 1318 CG MET A 82 -3.749 8.553 -2.202 1.00 0.00 C ATOM 1319 SD MET A 82 -3.379 6.796 -2.059 1.00 0.00 S ATOM 1320 CE MET A 82 -2.980 6.670 -0.329 1.00 0.00 C ATOM 0 H MET A 82 -3.723 10.924 -0.392 1.00 0.00 H new ATOM 0 HA MET A 82 -5.501 10.631 -2.699 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.830 8.788 -0.372 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.830 8.359 -1.746 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.881 8.804 -3.255 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.895 9.126 -1.842 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.527 5.699 -0.130 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.279 7.460 -0.059 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.889 6.774 0.263 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.751 10.293 -1.409 1.00 0.00 N ATOM 1331 CA GLU A 83 -9.055 10.557 -0.808 1.00 0.00 C ATOM 1332 C GLU A 83 -9.671 9.275 -0.272 1.00 0.00 C ATOM 1333 O GLU A 83 -9.052 8.214 -0.312 1.00 0.00 O ATOM 1334 CB GLU A 83 -9.994 11.212 -1.817 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.622 12.641 -2.165 1.00 0.00 C ATOM 1336 CD GLU A 83 -10.665 13.310 -3.023 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -11.780 13.572 -2.514 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -10.387 13.570 -4.212 1.00 0.00 O ATOM 0 H GLU A 83 -7.783 9.699 -2.238 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.908 11.245 0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.003 10.617 -2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.008 11.198 -1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.488 13.213 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.665 12.648 -2.688 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.892 9.359 0.240 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.560 8.185 0.768 1.00 0.00 C ATOM 1347 C GLU A 84 -12.042 7.273 -0.342 1.00 0.00 C ATOM 1348 O GLU A 84 -12.502 7.727 -1.387 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.703 8.546 1.728 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.396 9.886 1.462 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.100 9.959 0.122 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -15.245 9.479 0.020 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -13.522 10.519 -0.827 1.00 0.00 O ATOM 0 H GLU A 84 -11.433 10.222 0.299 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.818 7.639 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.452 7.756 1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.309 8.557 2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.122 10.071 2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.655 10.684 1.516 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.909 5.975 -0.113 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.269 4.952 -1.087 1.00 0.00 C ATOM 1362 C GLU A 85 -11.400 5.063 -2.334 1.00 0.00 C ATOM 1363 O GLU A 85 -11.780 4.625 -3.426 1.00 0.00 O ATOM 1364 CB GLU A 85 -13.756 5.011 -1.439 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.629 4.124 -0.568 1.00 0.00 C ATOM 1366 CD GLU A 85 -14.410 2.649 -0.848 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -14.700 2.213 -1.984 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -13.958 1.918 0.058 1.00 0.00 O ATOM 0 H GLU A 85 -11.545 5.597 0.762 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.083 3.979 -0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.100 6.042 -1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.885 4.720 -2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.417 4.328 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.677 4.372 -0.736 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.223 5.664 -2.166 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.262 5.785 -3.254 1.00 0.00 C ATOM 1377 C ASP A 86 -8.706 4.412 -3.588 1.00 0.00 C ATOM 1378 O ASP A 86 -8.881 3.456 -2.814 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.126 6.732 -2.876 1.00 0.00 C ATOM 1380 CG ASP A 86 -7.717 7.624 -4.025 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.376 7.100 -5.104 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -7.745 8.865 -3.854 1.00 0.00 O ATOM 0 H ASP A 86 -9.914 6.074 -1.285 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.769 6.198 -4.126 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.436 7.349 -2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.265 6.150 -2.546 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.021 4.287 -4.703 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.558 2.983 -5.121 1.00 0.00 C ATOM 1389 C VAL A 87 -6.063 2.954 -5.441 1.00 0.00 C ATOM 1390 O VAL A 87 -5.536 3.805 -6.160 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.369 2.429 -6.329 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -9.857 2.418 -6.021 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.097 3.224 -7.601 1.00 0.00 C ATOM 0 H VAL A 87 -7.776 5.056 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.726 2.333 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.039 1.404 -6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.403 2.027 -6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.044 1.786 -5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.192 3.433 -5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.681 2.808 -8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.379 4.265 -7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.036 3.168 -7.845 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.383 1.974 -4.880 1.00 0.00 N ATOM 1404 CA ILE A 88 -3.971 1.756 -5.145 1.00 0.00 C ATOM 1405 C ILE A 88 -3.835 0.559 -6.070 1.00 0.00 C ATOM 1406 O ILE A 88 -4.538 -0.431 -5.899 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.161 1.491 -3.825 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -2.895 2.797 -3.060 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -1.844 0.767 -4.107 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.134 3.464 -2.517 1.00 0.00 C ATOM 0 H ILE A 88 -5.792 1.305 -4.227 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.562 2.655 -5.606 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.777 0.844 -3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.217 2.587 -2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.383 3.494 -3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.312 0.601 -3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.051 -0.192 -4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.229 1.375 -4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.855 4.378 -1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.806 3.709 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.638 2.788 -1.826 1.00 0.00 H new ATOM 1422 N GLU A 89 -2.925 0.632 -7.026 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.747 -0.443 -7.990 1.00 0.00 C ATOM 1424 C GLU A 89 -1.587 -1.328 -7.555 1.00 0.00 C ATOM 1425 O GLU A 89 -0.550 -0.836 -7.082 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.486 0.127 -9.385 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.248 -0.927 -10.454 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.473 -1.767 -10.747 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -3.658 -2.809 -10.088 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -4.245 -1.393 -11.660 1.00 0.00 O ATOM 0 H GLU A 89 -2.297 1.425 -7.156 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.658 -1.040 -8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.337 0.741 -9.679 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.618 0.785 -9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.923 -0.437 -11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.435 -1.580 -10.136 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.746 -2.622 -7.690 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.738 -3.555 -7.257 1.00 0.00 C ATOM 1439 C VAL A 90 -0.461 -4.620 -8.314 1.00 0.00 C ATOM 1440 O VAL A 90 -1.374 -5.279 -8.824 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.150 -4.241 -5.929 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.263 -5.426 -5.638 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.087 -3.253 -4.777 1.00 0.00 C ATOM 0 H VAL A 90 -2.573 -3.055 -8.101 1.00 0.00 H new ATOM 0 HA VAL A 90 0.175 -2.981 -7.098 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.176 -4.593 -6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.572 -5.890 -4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.347 -6.151 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.772 -5.094 -5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.379 -3.752 -3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.070 -2.874 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.766 -2.423 -4.972 1.00 0.00 H new ATOM 1453 N TYR A 91 0.804 -4.801 -8.637 1.00 0.00 N ATOM 1454 CA TYR A 91 1.203 -5.807 -9.591 1.00 0.00 C ATOM 1455 C TYR A 91 2.044 -6.859 -8.906 1.00 0.00 C ATOM 1456 O TYR A 91 2.797 -6.554 -7.985 1.00 0.00 O ATOM 1457 CB TYR A 91 1.981 -5.194 -10.745 1.00 0.00 C ATOM 1458 CG TYR A 91 1.238 -4.112 -11.475 1.00 0.00 C ATOM 1459 CD1 TYR A 91 0.149 -4.416 -12.277 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.620 -2.788 -11.361 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.536 -3.428 -12.947 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.941 -1.795 -12.024 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.137 -2.118 -12.817 1.00 0.00 C ATOM 1464 OH TYR A 91 -0.819 -1.128 -13.481 1.00 0.00 O ATOM 0 H TYR A 91 1.575 -4.259 -8.248 1.00 0.00 H new ATOM 0 HA TYR A 91 0.302 -6.267 -9.996 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.916 -4.784 -10.363 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.243 -5.981 -11.452 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.167 -5.444 -12.378 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.466 -2.531 -10.741 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.381 -3.680 -13.571 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.251 -0.765 -11.924 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.411 -0.260 -13.282 1.00 0.00 H new ATOM 1474 N GLN A 92 1.918 -8.096 -9.337 1.00 0.00 N ATOM 1475 CA GLN A 92 2.665 -9.182 -8.732 1.00 0.00 C ATOM 1476 C GLN A 92 3.303 -10.079 -9.788 1.00 0.00 C ATOM 1477 O GLN A 92 2.616 -10.628 -10.656 1.00 0.00 O ATOM 1478 CB GLN A 92 1.764 -10.004 -7.788 1.00 0.00 C ATOM 1479 CG GLN A 92 0.566 -10.662 -8.465 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.321 -11.423 -7.495 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -0.928 -12.428 -7.853 1.00 0.00 O ATOM 1482 NE2 GLN A 92 -0.420 -10.939 -6.274 1.00 0.00 N ATOM 0 H GLN A 92 1.306 -8.376 -10.103 1.00 0.00 H new ATOM 0 HA GLN A 92 3.470 -8.742 -8.144 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.367 -10.778 -7.315 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.402 -9.352 -6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.026 -9.897 -8.966 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.922 -11.346 -9.236 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.100 -10.101 -6.014 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.017 -11.402 -5.589 1.00 0.00 H new