USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 665 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 62 THR OG1 : rot 32:sc= 0.236 USER MOD Set 1.2: A 64 TYR OH : rot 15:sc= -0.343 USER MOD Set 1.3: A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0525 K(o=-0.052,f=-0.76) USER MOD Single : A 34 SER OG : rot 12:sc= 0.332 USER MOD Single : A 36 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.32) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.00088) USER MOD Single : A 63 LYS NZ :NH3+ 137:sc= -0.18 (180deg=-1.32) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0897 USER MOD Single : A 78 ASN : amide:sc= -9.63! C(o=-9.6!,f=-8.7!) USER MOD Single : A 82 THR OG1 : rot -15:sc= 0.453 USER MOD Single : A 88 HIS : no HD1:sc= -8.72! C(o=-8.7!,f=-4.6!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.128 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 166:sc= 1.16 USER MOD Single : A 99 SER OG : rot 180:sc= -0.193 USER MOD Single : A 104 ASN : amide:sc= -2.07 K(o=-2.1,f=-15!) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0085 USER MOD Single : A 108 HIS : no HD1:sc= -0.429 K(o=-0.43,f=-1.2) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 340 N PRO A 27 -2.954 16.752 -0.389 1.00 0.00 N ATOM 341 CA PRO A 27 -2.687 15.443 0.216 1.00 0.00 C ATOM 342 C PRO A 27 -3.071 14.290 -0.705 1.00 0.00 C ATOM 343 O PRO A 27 -3.754 14.470 -1.714 1.00 0.00 O ATOM 344 CB PRO A 27 -3.568 15.444 1.467 1.00 0.00 C ATOM 345 CG PRO A 27 -4.672 16.394 1.153 1.00 0.00 C ATOM 346 CD PRO A 27 -4.069 17.452 0.271 1.00 0.00 C ATOM 0 HA PRO A 27 -1.627 15.299 0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.953 14.447 1.681 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.008 15.765 2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.493 15.885 0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.081 16.832 2.064 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.791 17.831 -0.453 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.720 18.307 0.850 1.00 0.00 H new ATOM 354 N PRO A 28 -2.623 13.076 -0.353 1.00 0.00 N ATOM 355 CA PRO A 28 -2.909 11.869 -1.135 1.00 0.00 C ATOM 356 C PRO A 28 -4.375 11.459 -1.053 1.00 0.00 C ATOM 357 O PRO A 28 -4.853 11.034 -0.001 1.00 0.00 O ATOM 358 CB PRO A 28 -2.020 10.806 -0.484 1.00 0.00 C ATOM 359 CG PRO A 28 -1.816 11.286 0.912 1.00 0.00 C ATOM 360 CD PRO A 28 -1.803 12.787 0.836 1.00 0.00 C ATOM 0 HA PRO A 28 -2.714 12.016 -2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.498 9.826 -0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.071 10.706 -1.011 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.615 10.935 1.566 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.879 10.908 1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.225 13.238 1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.790 13.175 0.729 1.00 0.00 H new ATOM 368 N ARG A 29 -5.084 11.590 -2.170 1.00 0.00 N ATOM 369 CA ARG A 29 -6.497 11.234 -2.224 1.00 0.00 C ATOM 370 C ARG A 29 -6.748 10.167 -3.285 1.00 0.00 C ATOM 371 O ARG A 29 -6.185 10.218 -4.378 1.00 0.00 O ATOM 372 CB ARG A 29 -7.346 12.472 -2.519 1.00 0.00 C ATOM 373 CG ARG A 29 -8.842 12.222 -2.420 1.00 0.00 C ATOM 374 CD ARG A 29 -9.336 12.364 -0.989 1.00 0.00 C ATOM 375 NE ARG A 29 -10.585 11.640 -0.767 1.00 0.00 N ATOM 376 CZ ARG A 29 -11.361 11.821 0.296 1.00 0.00 C ATOM 377 NH1 ARG A 29 -11.019 12.699 1.228 1.00 0.00 N ATOM 378 NH2 ARG A 29 -12.483 11.124 0.426 1.00 0.00 N ATOM 0 H ARG A 29 -4.703 11.940 -3.049 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.782 10.830 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.072 13.265 -1.823 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.112 12.833 -3.521 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.373 12.926 -3.061 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.070 11.221 -2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.574 11.992 -0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.483 13.419 -0.759 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.878 10.958 -1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.158 13.238 1.130 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.616 12.836 2.043 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.750 10.449 -0.290 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.078 11.263 1.242 1.00 0.00 H new ATOM 392 N GLY A 30 -7.598 9.199 -2.955 1.00 0.00 N ATOM 393 CA GLY A 30 -7.909 8.133 -3.889 1.00 0.00 C ATOM 394 C GLY A 30 -6.855 7.044 -3.897 1.00 0.00 C ATOM 395 O GLY A 30 -6.592 6.431 -4.933 1.00 0.00 O ATOM 0 H GLY A 30 -8.077 9.134 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.875 7.698 -3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.005 8.549 -4.892 1.00 0.00 H new ATOM 399 N LEU A 31 -6.248 6.801 -2.740 1.00 0.00 N ATOM 400 CA LEU A 31 -5.215 5.779 -2.617 1.00 0.00 C ATOM 401 C LEU A 31 -5.835 4.396 -2.446 1.00 0.00 C ATOM 402 O LEU A 31 -6.556 4.144 -1.481 1.00 0.00 O ATOM 403 CB LEU A 31 -4.300 6.090 -1.432 1.00 0.00 C ATOM 404 CG LEU A 31 -2.955 5.362 -1.412 1.00 0.00 C ATOM 405 CD1 LEU A 31 -3.110 3.971 -0.818 1.00 0.00 C ATOM 406 CD2 LEU A 31 -2.372 5.283 -2.816 1.00 0.00 C ATOM 0 H LEU A 31 -6.454 7.298 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.625 5.782 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.110 7.163 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.834 5.849 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.266 5.927 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.143 3.468 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.484 4.051 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.814 3.395 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.415 4.762 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.059 4.740 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.224 6.290 -3.206 1.00 0.00 H new ATOM 418 N GLN A 32 -5.548 3.504 -3.389 1.00 0.00 N ATOM 419 CA GLN A 32 -6.077 2.146 -3.340 1.00 0.00 C ATOM 420 C GLN A 32 -5.191 1.188 -4.130 1.00 0.00 C ATOM 421 O GLN A 32 -4.513 1.590 -5.076 1.00 0.00 O ATOM 422 CB GLN A 32 -7.503 2.111 -3.892 1.00 0.00 C ATOM 423 CG GLN A 32 -8.328 0.945 -3.374 1.00 0.00 C ATOM 424 CD GLN A 32 -9.513 0.626 -4.265 1.00 0.00 C ATOM 425 OE1 GLN A 32 -9.403 0.641 -5.491 1.00 0.00 O ATOM 426 NE2 GLN A 32 -10.654 0.334 -3.651 1.00 0.00 N ATOM 0 H GLN A 32 -4.953 3.697 -4.195 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.090 1.826 -2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.006 3.043 -3.635 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.461 2.061 -4.980 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.692 0.063 -3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.685 1.175 -2.370 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.699 0.334 -2.632 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.485 0.110 -4.198 1.00 0.00 H new ATOM 435 N VAL A 33 -5.200 -0.081 -3.735 1.00 0.00 N ATOM 436 CA VAL A 33 -4.397 -1.097 -4.406 1.00 0.00 C ATOM 437 C VAL A 33 -5.273 -2.031 -5.233 1.00 0.00 C ATOM 438 O VAL A 33 -6.488 -2.090 -5.044 1.00 0.00 O ATOM 439 CB VAL A 33 -3.588 -1.931 -3.395 1.00 0.00 C ATOM 440 CG1 VAL A 33 -2.257 -1.260 -3.093 1.00 0.00 C ATOM 441 CG2 VAL A 33 -4.389 -2.145 -2.119 1.00 0.00 C ATOM 0 H VAL A 33 -5.755 -0.430 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.707 -0.571 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.384 -2.907 -3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.699 -1.864 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.681 -1.164 -4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.436 -0.271 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.802 -2.736 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.626 -1.180 -1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.313 -2.673 -2.354 1.00 0.00 H new ATOM 451 N SER A 34 -4.648 -2.760 -6.152 1.00 0.00 N ATOM 452 CA SER A 34 -5.370 -3.690 -7.012 1.00 0.00 C ATOM 453 C SER A 34 -4.484 -4.868 -7.405 1.00 0.00 C ATOM 454 O SER A 34 -3.257 -4.761 -7.407 1.00 0.00 O ATOM 455 CB SER A 34 -5.871 -2.973 -8.267 1.00 0.00 C ATOM 456 OG SER A 34 -7.008 -2.177 -7.981 1.00 0.00 O ATOM 0 H SER A 34 -3.643 -2.724 -6.320 1.00 0.00 H new ATOM 0 HA SER A 34 -6.225 -4.072 -6.454 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.077 -2.346 -8.673 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.121 -3.707 -9.033 1.00 0.00 H new ATOM 0 HG SER A 34 -7.117 -2.100 -7.010 1.00 0.00 H new ATOM 462 N ILE A 35 -5.114 -5.989 -7.737 1.00 0.00 N ATOM 463 CA ILE A 35 -4.383 -7.187 -8.133 1.00 0.00 C ATOM 464 C ILE A 35 -4.265 -7.282 -9.650 1.00 0.00 C ATOM 465 O ILE A 35 -5.269 -7.286 -10.361 1.00 0.00 O ATOM 466 CB ILE A 35 -5.062 -8.462 -7.601 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.196 -8.398 -6.078 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.274 -9.695 -8.018 1.00 0.00 C ATOM 469 CD1 ILE A 35 -6.116 -9.454 -5.507 1.00 0.00 C ATOM 0 H ILE A 35 -6.129 -6.093 -7.740 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.387 -7.108 -7.698 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.061 -8.530 -8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.208 -8.507 -5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.567 -7.413 -5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.767 -10.589 -7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.226 -9.746 -9.106 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.264 -9.635 -7.613 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.163 -9.348 -4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.114 -9.332 -5.927 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.735 -10.444 -5.759 1.00 0.00 H new ATOM 481 N GLN A 36 -3.031 -7.361 -10.138 1.00 0.00 N ATOM 482 CA GLN A 36 -2.782 -7.458 -11.572 1.00 0.00 C ATOM 483 C GLN A 36 -3.813 -8.358 -12.244 1.00 0.00 C ATOM 484 O GLN A 36 -3.645 -9.575 -12.305 1.00 0.00 O ATOM 485 CB GLN A 36 -1.373 -7.995 -11.831 1.00 0.00 C ATOM 486 CG GLN A 36 -0.976 -7.980 -13.298 1.00 0.00 C ATOM 487 CD GLN A 36 -1.103 -6.605 -13.923 1.00 0.00 C ATOM 488 OE1 GLN A 36 -0.124 -5.866 -14.029 1.00 0.00 O ATOM 489 NE2 GLN A 36 -2.314 -6.253 -14.341 1.00 0.00 N ATOM 0 H GLN A 36 -2.189 -7.360 -9.562 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.867 -6.458 -11.998 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.657 -7.401 -11.263 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.308 -9.016 -11.456 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.053 -8.325 -13.395 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.602 -8.684 -13.847 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.098 -6.897 -14.234 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.460 -5.339 -14.769 1.00 0.00 H new ATOM 498 N GLY A 37 -4.883 -7.749 -12.748 1.00 0.00 N ATOM 499 CA GLY A 37 -5.927 -8.511 -13.408 1.00 0.00 C ATOM 500 C GLY A 37 -7.059 -8.879 -12.470 1.00 0.00 C ATOM 501 O GLY A 37 -6.823 -9.387 -11.374 1.00 0.00 O ATOM 0 H GLY A 37 -5.045 -6.743 -12.711 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.324 -7.931 -14.241 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.498 -9.420 -13.829 1.00 0.00 H new ATOM 505 N GLU A 38 -8.290 -8.622 -12.900 1.00 0.00 N ATOM 506 CA GLU A 38 -9.462 -8.928 -12.087 1.00 0.00 C ATOM 507 C GLU A 38 -9.532 -10.420 -11.775 1.00 0.00 C ATOM 508 O GLU A 38 -9.806 -11.237 -12.653 1.00 0.00 O ATOM 509 CB GLU A 38 -10.738 -8.485 -12.806 1.00 0.00 C ATOM 510 CG GLU A 38 -11.946 -8.377 -11.891 1.00 0.00 C ATOM 511 CD GLU A 38 -13.041 -7.504 -12.472 1.00 0.00 C ATOM 512 OE1 GLU A 38 -13.655 -7.913 -13.479 1.00 0.00 O ATOM 513 OE2 GLU A 38 -13.285 -6.412 -11.918 1.00 0.00 O ATOM 0 H GLU A 38 -8.502 -8.203 -13.806 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.375 -8.382 -11.148 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.562 -7.518 -13.277 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.960 -9.193 -13.604 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.344 -9.374 -11.701 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.634 -7.970 -10.929 1.00 0.00 H new ATOM 520 N ALA A 39 -9.282 -10.767 -10.516 1.00 0.00 N ATOM 521 CA ALA A 39 -9.319 -12.159 -10.086 1.00 0.00 C ATOM 522 C ALA A 39 -10.516 -12.422 -9.180 1.00 0.00 C ATOM 523 O ALA A 39 -11.013 -11.516 -8.511 1.00 0.00 O ATOM 524 CB ALA A 39 -8.025 -12.525 -9.375 1.00 0.00 C ATOM 0 H ALA A 39 -9.052 -10.103 -9.777 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.424 -12.785 -10.972 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.066 -13.567 -9.059 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.184 -12.384 -10.054 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.896 -11.886 -8.501 1.00 0.00 H new ATOM 530 N VAL A 40 -10.977 -13.669 -9.162 1.00 0.00 N ATOM 531 CA VAL A 40 -12.116 -14.052 -8.337 1.00 0.00 C ATOM 532 C VAL A 40 -11.715 -15.089 -7.294 1.00 0.00 C ATOM 533 O VAL A 40 -11.895 -14.879 -6.094 1.00 0.00 O ATOM 534 CB VAL A 40 -13.264 -14.619 -9.193 1.00 0.00 C ATOM 535 CG1 VAL A 40 -14.393 -15.123 -8.307 1.00 0.00 C ATOM 536 CG2 VAL A 40 -13.770 -13.567 -10.169 1.00 0.00 C ATOM 0 H VAL A 40 -10.578 -14.431 -9.710 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.460 -13.148 -7.834 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.882 -15.462 -9.768 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -15.195 -15.520 -8.930 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -14.018 -15.910 -7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -14.776 -14.301 -7.703 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -14.581 -13.985 -10.766 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -14.135 -12.702 -9.615 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.957 -13.260 -10.826 1.00 0.00 H new ATOM 546 N ALA A 41 -11.170 -16.208 -7.759 1.00 0.00 N ATOM 547 CA ALA A 41 -10.742 -17.278 -6.865 1.00 0.00 C ATOM 548 C ALA A 41 -9.388 -17.837 -7.289 1.00 0.00 C ATOM 549 O ALA A 41 -9.270 -18.485 -8.329 1.00 0.00 O ATOM 550 CB ALA A 41 -11.784 -18.385 -6.829 1.00 0.00 C ATOM 0 H ALA A 41 -11.014 -16.398 -8.749 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.637 -16.861 -5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.451 -19.177 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.731 -17.981 -6.472 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.918 -18.792 -7.831 1.00 0.00 H new ATOM 556 N VAL A 42 -8.367 -17.581 -6.477 1.00 0.00 N ATOM 557 CA VAL A 42 -7.020 -18.059 -6.768 1.00 0.00 C ATOM 558 C VAL A 42 -6.740 -19.378 -6.055 1.00 0.00 C ATOM 559 O VAL A 42 -7.377 -19.701 -5.053 1.00 0.00 O ATOM 560 CB VAL A 42 -5.956 -17.027 -6.352 1.00 0.00 C ATOM 561 CG1 VAL A 42 -4.627 -17.713 -6.071 1.00 0.00 C ATOM 562 CG2 VAL A 42 -5.799 -15.962 -7.426 1.00 0.00 C ATOM 0 H VAL A 42 -8.447 -17.045 -5.613 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.964 -18.212 -7.846 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.287 -16.540 -5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.887 -16.968 -5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.754 -18.435 -5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.287 -18.229 -6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.043 -15.241 -7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.491 -16.431 -8.361 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.750 -15.450 -7.573 1.00 0.00 H new ATOM 572 N ARG A 43 -5.781 -20.134 -6.579 1.00 0.00 N ATOM 573 CA ARG A 43 -5.416 -21.419 -5.993 1.00 0.00 C ATOM 574 C ARG A 43 -4.399 -21.235 -4.870 1.00 0.00 C ATOM 575 O ARG A 43 -3.581 -20.315 -4.884 1.00 0.00 O ATOM 576 CB ARG A 43 -4.844 -22.348 -7.066 1.00 0.00 C ATOM 577 CG ARG A 43 -5.908 -23.045 -7.898 1.00 0.00 C ATOM 578 CD ARG A 43 -6.331 -22.194 -9.086 1.00 0.00 C ATOM 579 NE ARG A 43 -7.706 -22.469 -9.494 1.00 0.00 N ATOM 580 CZ ARG A 43 -8.197 -22.149 -10.686 1.00 0.00 C ATOM 581 NH1 ARG A 43 -7.428 -21.546 -11.583 1.00 0.00 N ATOM 582 NH2 ARG A 43 -9.459 -22.432 -10.983 1.00 0.00 N ATOM 0 H ARG A 43 -5.243 -19.880 -7.407 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.316 -21.869 -5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.198 -21.771 -7.727 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.218 -23.101 -6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.525 -24.002 -8.252 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.776 -23.260 -7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.233 -21.139 -8.829 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.660 -22.382 -9.924 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.323 -22.932 -8.827 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.457 -21.327 -11.358 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.807 -21.301 -12.498 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.053 -22.896 -10.296 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.835 -22.186 -11.899 1.00 0.00 H new ATOM 596 N PRO A 44 -4.451 -22.130 -3.872 1.00 0.00 N ATOM 597 CA PRO A 44 -3.543 -22.087 -2.723 1.00 0.00 C ATOM 598 C PRO A 44 -2.110 -22.447 -3.102 1.00 0.00 C ATOM 599 O PRO A 44 -1.776 -23.620 -3.261 1.00 0.00 O ATOM 600 CB PRO A 44 -4.124 -23.137 -1.772 1.00 0.00 C ATOM 601 CG PRO A 44 -4.862 -24.081 -2.657 1.00 0.00 C ATOM 602 CD PRO A 44 -5.401 -23.252 -3.790 1.00 0.00 C ATOM 0 HA PRO A 44 -3.480 -21.088 -2.291 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.337 -23.648 -1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.788 -22.682 -1.037 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.202 -24.865 -3.027 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.670 -24.573 -2.115 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.436 -23.818 -4.721 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.415 -22.906 -3.588 1.00 0.00 H new ATOM 610 N GLY A 45 -1.267 -21.429 -3.246 1.00 0.00 N ATOM 611 CA GLY A 45 0.120 -21.659 -3.605 1.00 0.00 C ATOM 612 C GLY A 45 0.535 -20.885 -4.840 1.00 0.00 C ATOM 613 O GLY A 45 1.570 -21.170 -5.440 1.00 0.00 O ATOM 0 H GLY A 45 -1.520 -20.449 -3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.760 -21.375 -2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.276 -22.724 -3.778 1.00 0.00 H new ATOM 617 N GLU A 46 -0.276 -19.902 -5.221 1.00 0.00 N ATOM 618 CA GLU A 46 0.013 -19.087 -6.395 1.00 0.00 C ATOM 619 C GLU A 46 0.440 -17.679 -5.987 1.00 0.00 C ATOM 620 O GLU A 46 -0.170 -17.063 -5.114 1.00 0.00 O ATOM 621 CB GLU A 46 -1.213 -19.015 -7.308 1.00 0.00 C ATOM 622 CG GLU A 46 -1.609 -20.357 -7.901 1.00 0.00 C ATOM 623 CD GLU A 46 -0.849 -20.679 -9.173 1.00 0.00 C ATOM 624 OE1 GLU A 46 -1.181 -20.096 -10.226 1.00 0.00 O ATOM 625 OE2 GLU A 46 0.077 -21.515 -9.115 1.00 0.00 O ATOM 0 H GLU A 46 -1.137 -19.652 -4.734 1.00 0.00 H new ATOM 0 HA GLU A 46 0.834 -19.555 -6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.054 -18.615 -6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.012 -18.314 -8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.430 -21.142 -7.166 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.678 -20.356 -8.111 1.00 0.00 H new ATOM 632 N ASP A 47 1.492 -17.179 -6.626 1.00 0.00 N ATOM 633 CA ASP A 47 2.001 -15.845 -6.332 1.00 0.00 C ATOM 634 C ASP A 47 1.074 -14.772 -6.895 1.00 0.00 C ATOM 635 O ASP A 47 0.895 -14.666 -8.108 1.00 0.00 O ATOM 636 CB ASP A 47 3.408 -15.674 -6.908 1.00 0.00 C ATOM 637 CG ASP A 47 4.236 -16.939 -6.797 1.00 0.00 C ATOM 638 OD1 ASP A 47 4.066 -17.837 -7.648 1.00 0.00 O ATOM 639 OD2 ASP A 47 5.056 -17.031 -5.859 1.00 0.00 O ATOM 0 H ASP A 47 2.009 -17.677 -7.351 1.00 0.00 H new ATOM 0 HA ASP A 47 2.043 -15.731 -5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.336 -15.381 -7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.916 -14.864 -6.385 1.00 0.00 H new ATOM 644 N VAL A 48 0.485 -13.979 -6.005 1.00 0.00 N ATOM 645 CA VAL A 48 -0.424 -12.915 -6.413 1.00 0.00 C ATOM 646 C VAL A 48 0.298 -11.574 -6.486 1.00 0.00 C ATOM 647 O VAL A 48 1.034 -11.202 -5.572 1.00 0.00 O ATOM 648 CB VAL A 48 -1.615 -12.792 -5.444 1.00 0.00 C ATOM 649 CG1 VAL A 48 -1.172 -12.166 -4.130 1.00 0.00 C ATOM 650 CG2 VAL A 48 -2.736 -11.983 -6.078 1.00 0.00 C ATOM 0 H VAL A 48 0.621 -14.054 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.796 -13.179 -7.403 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.994 -13.792 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.027 -12.087 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.405 -12.790 -3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.766 -11.172 -4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.569 -11.906 -5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.372 -10.984 -6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.071 -12.478 -6.990 1.00 0.00 H new ATOM 660 N LEU A 49 0.082 -10.852 -7.580 1.00 0.00 N ATOM 661 CA LEU A 49 0.711 -9.550 -7.774 1.00 0.00 C ATOM 662 C LEU A 49 -0.208 -8.426 -7.308 1.00 0.00 C ATOM 663 O LEU A 49 -1.427 -8.504 -7.459 1.00 0.00 O ATOM 664 CB LEU A 49 1.073 -9.351 -9.247 1.00 0.00 C ATOM 665 CG LEU A 49 2.217 -10.213 -9.780 1.00 0.00 C ATOM 666 CD1 LEU A 49 3.555 -9.531 -9.542 1.00 0.00 C ATOM 667 CD2 LEU A 49 2.195 -11.589 -9.130 1.00 0.00 C ATOM 0 H LEU A 49 -0.524 -11.146 -8.346 1.00 0.00 H new ATOM 0 HA LEU A 49 1.621 -9.521 -7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.186 -9.549 -9.848 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.334 -8.303 -9.398 1.00 0.00 H new ATOM 0 HG LEU A 49 2.082 -10.338 -10.854 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.358 -10.160 -9.928 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.569 -8.569 -10.054 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.699 -9.375 -8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.016 -12.189 -9.521 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.305 -11.483 -8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.248 -12.081 -9.352 1.00 0.00 H new ATOM 679 N PHE A 50 0.385 -7.379 -6.742 1.00 0.00 N ATOM 680 CA PHE A 50 -0.380 -6.238 -6.255 1.00 0.00 C ATOM 681 C PHE A 50 0.186 -4.930 -6.800 1.00 0.00 C ATOM 682 O PHE A 50 1.298 -4.530 -6.454 1.00 0.00 O ATOM 683 CB PHE A 50 -0.376 -6.210 -4.725 1.00 0.00 C ATOM 684 CG PHE A 50 -1.516 -6.968 -4.108 1.00 0.00 C ATOM 685 CD1 PHE A 50 -2.799 -6.445 -4.117 1.00 0.00 C ATOM 686 CD2 PHE A 50 -1.304 -8.204 -3.519 1.00 0.00 C ATOM 687 CE1 PHE A 50 -3.850 -7.140 -3.550 1.00 0.00 C ATOM 688 CE2 PHE A 50 -2.352 -8.904 -2.951 1.00 0.00 C ATOM 689 CZ PHE A 50 -3.626 -8.371 -2.966 1.00 0.00 C ATOM 0 H PHE A 50 1.393 -7.298 -6.610 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.406 -6.344 -6.607 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.564 -6.627 -4.365 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.415 -5.174 -4.389 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.980 -5.483 -4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.310 -8.625 -3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.845 -6.721 -3.564 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.175 -9.867 -2.496 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.446 -8.916 -2.522 1.00 0.00 H new ATOM 699 N VAL A 51 -0.586 -4.269 -7.657 1.00 0.00 N ATOM 700 CA VAL A 51 -0.163 -3.007 -8.251 1.00 0.00 C ATOM 701 C VAL A 51 -0.694 -1.820 -7.455 1.00 0.00 C ATOM 702 O VAL A 51 -1.798 -1.866 -6.913 1.00 0.00 O ATOM 703 CB VAL A 51 -0.639 -2.886 -9.711 1.00 0.00 C ATOM 704 CG1 VAL A 51 -0.145 -1.587 -10.328 1.00 0.00 C ATOM 705 CG2 VAL A 51 -0.170 -4.084 -10.524 1.00 0.00 C ATOM 0 H VAL A 51 -1.508 -4.587 -7.955 1.00 0.00 H new ATOM 0 HA VAL A 51 0.927 -2.997 -8.230 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.729 -2.873 -9.720 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.491 -1.519 -11.359 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.534 -0.743 -9.759 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.945 -1.566 -10.309 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.515 -3.983 -11.553 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.919 -4.130 -10.509 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.578 -4.998 -10.093 1.00 0.00 H new ATOM 715 N VAL A 52 0.100 -0.756 -7.390 1.00 0.00 N ATOM 716 CA VAL A 52 -0.291 0.446 -6.662 1.00 0.00 C ATOM 717 C VAL A 52 -0.280 1.668 -7.572 1.00 0.00 C ATOM 718 O VAL A 52 0.619 1.832 -8.398 1.00 0.00 O ATOM 719 CB VAL A 52 0.642 0.704 -5.463 1.00 0.00 C ATOM 720 CG1 VAL A 52 2.089 0.800 -5.924 1.00 0.00 C ATOM 721 CG2 VAL A 52 0.224 1.966 -4.725 1.00 0.00 C ATOM 0 H VAL A 52 1.017 -0.702 -7.832 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.304 0.279 -6.296 1.00 0.00 H new ATOM 0 HB VAL A 52 0.560 -0.136 -4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.733 0.982 -5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.381 -0.134 -6.404 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.191 1.621 -6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.894 2.133 -3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.275 2.818 -5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.797 1.853 -4.361 1.00 0.00 H new ATOM 731 N ARG A 53 -1.285 2.524 -7.417 1.00 0.00 N ATOM 732 CA ARG A 53 -1.392 3.732 -8.226 1.00 0.00 C ATOM 733 C ARG A 53 -2.274 4.770 -7.539 1.00 0.00 C ATOM 734 O ARG A 53 -3.309 4.435 -6.963 1.00 0.00 O ATOM 735 CB ARG A 53 -1.959 3.398 -9.607 1.00 0.00 C ATOM 736 CG ARG A 53 -1.548 4.384 -10.688 1.00 0.00 C ATOM 737 CD ARG A 53 -2.509 5.560 -10.764 1.00 0.00 C ATOM 738 NE ARG A 53 -2.031 6.600 -11.671 1.00 0.00 N ATOM 739 CZ ARG A 53 -2.105 6.511 -12.994 1.00 0.00 C ATOM 740 NH1 ARG A 53 -2.635 5.436 -13.561 1.00 0.00 N ATOM 741 NH2 ARG A 53 -1.648 7.499 -13.753 1.00 0.00 N ATOM 0 H ARG A 53 -2.037 2.403 -6.738 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.392 4.151 -8.343 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.630 2.399 -9.894 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.047 3.370 -9.547 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.541 4.748 -10.486 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.516 3.876 -11.652 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.486 5.209 -11.098 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.645 5.982 -9.768 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.618 7.440 -11.266 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.987 4.675 -12.981 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.691 5.370 -14.577 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.240 8.327 -13.320 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.705 7.430 -14.769 1.00 0.00 H new ATOM 755 N GLN A 54 -1.857 6.030 -7.603 1.00 0.00 N ATOM 756 CA GLN A 54 -2.609 7.116 -6.986 1.00 0.00 C ATOM 757 C GLN A 54 -3.340 7.940 -8.041 1.00 0.00 C ATOM 758 O GLN A 54 -2.763 8.310 -9.063 1.00 0.00 O ATOM 759 CB GLN A 54 -1.674 8.017 -6.177 1.00 0.00 C ATOM 760 CG GLN A 54 -2.370 8.755 -5.045 1.00 0.00 C ATOM 761 CD GLN A 54 -1.401 9.517 -4.162 1.00 0.00 C ATOM 762 OE1 GLN A 54 -1.364 10.747 -4.179 1.00 0.00 O ATOM 763 NE2 GLN A 54 -0.609 8.787 -3.385 1.00 0.00 N ATOM 0 H GLN A 54 -1.002 6.324 -8.076 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.349 6.677 -6.317 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.868 7.412 -5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.215 8.745 -6.846 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -3.098 9.450 -5.463 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.924 8.040 -4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.674 7.769 -3.403 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.064 9.244 -2.770 1.00 0.00 H new ATOM 872 N THR A 62 7.255 9.449 -0.874 1.00 0.00 N ATOM 873 CA THR A 62 6.124 9.033 -0.053 1.00 0.00 C ATOM 874 C THR A 62 6.340 7.633 0.510 1.00 0.00 C ATOM 875 O THR A 62 6.494 6.668 -0.239 1.00 0.00 O ATOM 876 CB THR A 62 4.810 9.054 -0.856 1.00 0.00 C ATOM 877 OG1 THR A 62 4.712 10.272 -1.603 1.00 0.00 O ATOM 878 CG2 THR A 62 3.609 8.923 0.069 1.00 0.00 C ATOM 0 HA THR A 62 6.050 9.745 0.769 1.00 0.00 H new ATOM 0 HB THR A 62 4.815 8.207 -1.542 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.608 10.566 -1.868 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.692 8.940 -0.520 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.671 7.982 0.615 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.602 9.753 0.776 1.00 0.00 H new ATOM 886 N LYS A 63 6.349 7.528 1.834 1.00 0.00 N ATOM 887 CA LYS A 63 6.543 6.245 2.500 1.00 0.00 C ATOM 888 C LYS A 63 5.247 5.441 2.520 1.00 0.00 C ATOM 889 O LYS A 63 4.234 5.892 3.055 1.00 0.00 O ATOM 890 CB LYS A 63 7.045 6.460 3.929 1.00 0.00 C ATOM 891 CG LYS A 63 8.451 7.029 4.001 1.00 0.00 C ATOM 892 CD LYS A 63 9.498 5.928 4.028 1.00 0.00 C ATOM 893 CE LYS A 63 9.820 5.500 5.452 1.00 0.00 C ATOM 894 NZ LYS A 63 8.779 4.590 6.006 1.00 0.00 N ATOM 0 H LYS A 63 6.224 8.317 2.468 1.00 0.00 H new ATOM 0 HA LYS A 63 7.290 5.682 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.363 7.134 4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.019 5.509 4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.626 7.678 3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.549 7.647 4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.139 5.069 3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.407 6.276 3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.788 4.999 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.906 6.383 6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.237 3.808 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.168 5.119 6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.204 4.206 5.229 1.00 0.00 H new ATOM 908 N TYR A 64 5.286 4.249 1.935 1.00 0.00 N ATOM 909 CA TYR A 64 4.115 3.383 1.886 1.00 0.00 C ATOM 910 C TYR A 64 4.356 2.095 2.668 1.00 0.00 C ATOM 911 O TYR A 64 5.442 1.518 2.614 1.00 0.00 O ATOM 912 CB TYR A 64 3.760 3.052 0.435 1.00 0.00 C ATOM 913 CG TYR A 64 3.555 4.275 -0.431 1.00 0.00 C ATOM 914 CD1 TYR A 64 2.312 4.891 -0.513 1.00 0.00 C ATOM 915 CD2 TYR A 64 4.603 4.812 -1.168 1.00 0.00 C ATOM 916 CE1 TYR A 64 2.120 6.008 -1.304 1.00 0.00 C ATOM 917 CE2 TYR A 64 4.420 5.929 -1.960 1.00 0.00 C ATOM 918 CZ TYR A 64 3.177 6.523 -2.025 1.00 0.00 C ATOM 919 OH TYR A 64 2.990 7.635 -2.814 1.00 0.00 O ATOM 0 H TYR A 64 6.117 3.861 1.488 1.00 0.00 H new ATOM 0 HA TYR A 64 3.282 3.915 2.345 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.554 2.442 0.005 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.852 2.450 0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.482 4.490 0.051 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.577 4.348 -1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.148 6.475 -1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.246 6.335 -2.525 1.00 0.00 H new ATOM 0 HH TYR A 64 2.145 8.069 -2.573 1.00 0.00 H new ATOM 929 N GLN A 65 3.334 1.651 3.393 1.00 0.00 N ATOM 930 CA GLN A 65 3.434 0.432 4.186 1.00 0.00 C ATOM 931 C GLN A 65 2.637 -0.701 3.547 1.00 0.00 C ATOM 932 O GLN A 65 1.642 -0.464 2.862 1.00 0.00 O ATOM 933 CB GLN A 65 2.935 0.682 5.610 1.00 0.00 C ATOM 934 CG GLN A 65 3.298 -0.426 6.586 1.00 0.00 C ATOM 935 CD GLN A 65 2.752 -0.179 7.978 1.00 0.00 C ATOM 936 OE1 GLN A 65 2.870 0.921 8.519 1.00 0.00 O ATOM 937 NE2 GLN A 65 2.149 -1.205 8.568 1.00 0.00 N ATOM 0 H GLN A 65 2.428 2.117 3.447 1.00 0.00 H new ATOM 0 HA GLN A 65 4.483 0.138 4.222 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.350 1.623 5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.851 0.797 5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.913 -1.375 6.212 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.383 -0.519 6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.073 -2.099 8.083 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.762 -1.098 9.506 1.00 0.00 H new ATOM 946 N VAL A 66 3.081 -1.933 3.776 1.00 0.00 N ATOM 947 CA VAL A 66 2.408 -3.102 3.223 1.00 0.00 C ATOM 948 C VAL A 66 2.218 -4.180 4.285 1.00 0.00 C ATOM 949 O VAL A 66 3.184 -4.656 4.881 1.00 0.00 O ATOM 950 CB VAL A 66 3.197 -3.696 2.040 1.00 0.00 C ATOM 951 CG1 VAL A 66 2.459 -4.890 1.452 1.00 0.00 C ATOM 952 CG2 VAL A 66 3.443 -2.635 0.978 1.00 0.00 C ATOM 0 H VAL A 66 3.903 -2.147 4.340 1.00 0.00 H new ATOM 0 HA VAL A 66 1.433 -2.768 2.869 1.00 0.00 H new ATOM 0 HB VAL A 66 4.164 -4.041 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.031 -5.296 0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.339 -5.657 2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.478 -4.573 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.001 -3.072 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.488 -2.258 0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.016 -1.814 1.409 1.00 0.00 H new ATOM 962 N ASP A 67 0.966 -4.560 4.516 1.00 0.00 N ATOM 963 CA ASP A 67 0.648 -5.583 5.505 1.00 0.00 C ATOM 964 C ASP A 67 -0.099 -6.747 4.862 1.00 0.00 C ATOM 965 O ASP A 67 -1.258 -6.613 4.467 1.00 0.00 O ATOM 966 CB ASP A 67 -0.191 -4.985 6.636 1.00 0.00 C ATOM 967 CG ASP A 67 -0.421 -5.968 7.767 1.00 0.00 C ATOM 968 OD1 ASP A 67 0.566 -6.566 8.245 1.00 0.00 O ATOM 969 OD2 ASP A 67 -1.589 -6.139 8.175 1.00 0.00 O ATOM 0 H ASP A 67 0.155 -4.175 4.032 1.00 0.00 H new ATOM 0 HA ASP A 67 1.584 -5.959 5.917 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.309 -4.098 7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.153 -4.661 6.239 1.00 0.00 H new ATOM 974 N LEU A 68 0.573 -7.889 4.758 1.00 0.00 N ATOM 975 CA LEU A 68 -0.027 -9.077 4.162 1.00 0.00 C ATOM 976 C LEU A 68 -1.124 -9.643 5.058 1.00 0.00 C ATOM 977 O LEU A 68 -2.130 -10.161 4.575 1.00 0.00 O ATOM 978 CB LEU A 68 1.043 -10.142 3.913 1.00 0.00 C ATOM 979 CG LEU A 68 1.999 -9.874 2.750 1.00 0.00 C ATOM 980 CD1 LEU A 68 1.403 -10.375 1.443 1.00 0.00 C ATOM 981 CD2 LEU A 68 2.322 -8.390 2.656 1.00 0.00 C ATOM 0 H LEU A 68 1.533 -8.017 5.079 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.474 -8.789 3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.632 -10.256 4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.544 -11.095 3.735 1.00 0.00 H new ATOM 0 HG LEU A 68 2.926 -10.416 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.097 -10.176 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.223 -11.448 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.461 -9.861 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.004 -8.218 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.403 -7.827 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.792 -8.060 3.583 1.00 0.00 H new ATOM 993 N GLY A 69 -0.924 -9.537 6.369 1.00 0.00 N ATOM 994 CA GLY A 69 -1.905 -10.040 7.312 1.00 0.00 C ATOM 995 C GLY A 69 -1.476 -11.343 7.956 1.00 0.00 C ATOM 996 O GLY A 69 -1.705 -11.561 9.146 1.00 0.00 O ATOM 0 H GLY A 69 -0.100 -9.112 6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.074 -9.293 8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.855 -10.188 6.799 1.00 0.00 H new ATOM 1000 N ASP A 70 -0.853 -12.213 7.168 1.00 0.00 N ATOM 1001 CA ASP A 70 -0.391 -13.502 7.668 1.00 0.00 C ATOM 1002 C ASP A 70 0.730 -13.320 8.687 1.00 0.00 C ATOM 1003 O ASP A 70 0.548 -13.572 9.877 1.00 0.00 O ATOM 1004 CB ASP A 70 0.092 -14.379 6.511 1.00 0.00 C ATOM 1005 CG ASP A 70 0.620 -15.720 6.982 1.00 0.00 C ATOM 1006 OD1 ASP A 70 1.698 -15.745 7.613 1.00 0.00 O ATOM 1007 OD2 ASP A 70 -0.044 -16.744 6.720 1.00 0.00 O ATOM 0 H ASP A 70 -0.657 -12.049 6.181 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.229 -13.994 8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.730 -14.540 5.813 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.876 -13.855 5.964 1.00 0.00 H new ATOM 1012 N GLY A 71 1.892 -12.882 8.210 1.00 0.00 N ATOM 1013 CA GLY A 71 3.025 -12.675 9.091 1.00 0.00 C ATOM 1014 C GLY A 71 4.179 -11.977 8.399 1.00 0.00 C ATOM 1015 O GLY A 71 5.344 -12.237 8.702 1.00 0.00 O ATOM 0 H GLY A 71 2.068 -12.667 7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.709 -12.083 9.950 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.364 -13.638 9.474 1.00 0.00 H new ATOM 1019 N PHE A 72 3.856 -11.089 7.464 1.00 0.00 N ATOM 1020 CA PHE A 72 4.874 -10.354 6.724 1.00 0.00 C ATOM 1021 C PHE A 72 4.745 -8.853 6.966 1.00 0.00 C ATOM 1022 O PHE A 72 3.645 -8.299 6.936 1.00 0.00 O ATOM 1023 CB PHE A 72 4.762 -10.651 5.227 1.00 0.00 C ATOM 1024 CG PHE A 72 6.018 -10.351 4.460 1.00 0.00 C ATOM 1025 CD1 PHE A 72 7.183 -11.061 4.706 1.00 0.00 C ATOM 1026 CD2 PHE A 72 6.035 -9.358 3.494 1.00 0.00 C ATOM 1027 CE1 PHE A 72 8.340 -10.785 4.003 1.00 0.00 C ATOM 1028 CE2 PHE A 72 7.189 -9.078 2.787 1.00 0.00 C ATOM 1029 CZ PHE A 72 8.343 -9.794 3.041 1.00 0.00 C ATOM 0 H PHE A 72 2.897 -10.861 7.201 1.00 0.00 H new ATOM 0 HA PHE A 72 5.851 -10.680 7.080 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.505 -11.702 5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.942 -10.066 4.809 1.00 0.00 H new ATOM 0 HD1 PHE A 72 7.186 -11.839 5.456 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.135 -8.796 3.291 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.242 -11.344 4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.189 -8.301 2.037 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.246 -9.579 2.488 1.00 0.00 H new ATOM 1039 N LYS A 73 5.876 -8.199 7.208 1.00 0.00 N ATOM 1040 CA LYS A 73 5.892 -6.762 7.455 1.00 0.00 C ATOM 1041 C LYS A 73 7.088 -6.106 6.774 1.00 0.00 C ATOM 1042 O LYS A 73 8.222 -6.229 7.236 1.00 0.00 O ATOM 1043 CB LYS A 73 5.932 -6.483 8.959 1.00 0.00 C ATOM 1044 CG LYS A 73 4.581 -6.621 9.639 1.00 0.00 C ATOM 1045 CD LYS A 73 4.552 -5.896 10.974 1.00 0.00 C ATOM 1046 CE LYS A 73 5.163 -6.742 12.081 1.00 0.00 C ATOM 1047 NZ LYS A 73 5.089 -6.062 13.404 1.00 0.00 N ATOM 0 H LYS A 73 6.794 -8.642 7.238 1.00 0.00 H new ATOM 0 HA LYS A 73 4.980 -6.337 7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.637 -7.168 9.429 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.311 -5.474 9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.803 -6.220 8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.356 -7.676 9.792 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.097 -4.956 10.890 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.523 -5.646 11.231 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.644 -7.699 12.135 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.204 -6.957 11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.516 -6.671 14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.606 -5.160 13.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.094 -5.879 13.645 1.00 0.00 H new ATOM 1061 N ALA A 74 6.827 -5.407 5.674 1.00 0.00 N ATOM 1062 CA ALA A 74 7.883 -4.729 4.931 1.00 0.00 C ATOM 1063 C ALA A 74 7.579 -3.242 4.781 1.00 0.00 C ATOM 1064 O ALA A 74 6.482 -2.787 5.103 1.00 0.00 O ATOM 1065 CB ALA A 74 8.064 -5.373 3.565 1.00 0.00 C ATOM 0 H ALA A 74 5.894 -5.295 5.278 1.00 0.00 H new ATOM 0 HA ALA A 74 8.812 -4.829 5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.855 -4.857 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.334 -6.422 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.133 -5.303 3.003 1.00 0.00 H new ATOM 1071 N MET A 75 8.559 -2.489 4.292 1.00 0.00 N ATOM 1072 CA MET A 75 8.396 -1.053 4.099 1.00 0.00 C ATOM 1073 C MET A 75 8.906 -0.627 2.726 1.00 0.00 C ATOM 1074 O MET A 75 10.102 -0.705 2.446 1.00 0.00 O ATOM 1075 CB MET A 75 9.137 -0.282 5.193 1.00 0.00 C ATOM 1076 CG MET A 75 9.153 1.222 4.972 1.00 0.00 C ATOM 1077 SD MET A 75 10.610 2.012 5.681 1.00 0.00 S ATOM 1078 CE MET A 75 11.729 1.975 4.283 1.00 0.00 C ATOM 0 H MET A 75 9.474 -2.850 4.022 1.00 0.00 H new ATOM 0 HA MET A 75 7.332 -0.823 4.159 1.00 0.00 H new ATOM 0 HB2 MET A 75 8.671 -0.495 6.155 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.164 -0.644 5.249 1.00 0.00 H new ATOM 0 HG2 MET A 75 9.117 1.429 3.902 1.00 0.00 H new ATOM 0 HG3 MET A 75 8.257 1.660 5.412 1.00 0.00 H new ATOM 0 HE1 MET A 75 12.679 2.430 4.565 1.00 0.00 H new ATOM 0 HE2 MET A 75 11.898 0.942 3.979 1.00 0.00 H new ATOM 0 HE3 MET A 75 11.293 2.531 3.453 1.00 0.00 H new ATOM 1088 N TYR A 76 7.992 -0.178 1.873 1.00 0.00 N ATOM 1089 CA TYR A 76 8.349 0.258 0.528 1.00 0.00 C ATOM 1090 C TYR A 76 8.080 1.749 0.349 1.00 0.00 C ATOM 1091 O TYR A 76 6.941 2.203 0.451 1.00 0.00 O ATOM 1092 CB TYR A 76 7.566 -0.542 -0.514 1.00 0.00 C ATOM 1093 CG TYR A 76 7.470 -2.018 -0.199 1.00 0.00 C ATOM 1094 CD1 TYR A 76 8.532 -2.693 0.390 1.00 0.00 C ATOM 1095 CD2 TYR A 76 6.316 -2.736 -0.488 1.00 0.00 C ATOM 1096 CE1 TYR A 76 8.449 -4.041 0.679 1.00 0.00 C ATOM 1097 CE2 TYR A 76 6.224 -4.085 -0.201 1.00 0.00 C ATOM 1098 CZ TYR A 76 7.293 -4.732 0.382 1.00 0.00 C ATOM 1099 OH TYR A 76 7.205 -6.075 0.670 1.00 0.00 O ATOM 0 H TYR A 76 6.998 -0.106 2.089 1.00 0.00 H new ATOM 0 HA TYR A 76 9.415 0.081 0.387 1.00 0.00 H new ATOM 0 HB2 TYR A 76 6.560 -0.130 -0.595 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.041 -0.417 -1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 76 9.438 -2.154 0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.477 -2.232 -0.944 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.285 -4.551 1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.320 -4.629 -0.432 1.00 0.00 H new ATOM 0 HH TYR A 76 6.325 -6.411 0.399 1.00 0.00 H new ATOM 1109 N VAL A 77 9.139 2.506 0.080 1.00 0.00 N ATOM 1110 CA VAL A 77 9.020 3.946 -0.115 1.00 0.00 C ATOM 1111 C VAL A 77 8.953 4.295 -1.598 1.00 0.00 C ATOM 1112 O VAL A 77 9.479 3.570 -2.441 1.00 0.00 O ATOM 1113 CB VAL A 77 10.200 4.700 0.526 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.515 4.271 -0.106 1.00 0.00 C ATOM 1115 CG2 VAL A 77 10.003 6.203 0.400 1.00 0.00 C ATOM 0 H VAL A 77 10.089 2.146 -0.008 1.00 0.00 H new ATOM 0 HA VAL A 77 8.095 4.256 0.371 1.00 0.00 H new ATOM 0 HB VAL A 77 10.236 4.449 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 77 12.337 4.815 0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.658 3.201 0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.494 4.490 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.846 6.720 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.940 6.475 -0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.082 6.493 0.905 1.00 0.00 H new ATOM 1125 N ASN A 78 8.303 5.412 -1.909 1.00 0.00 N ATOM 1126 CA ASN A 78 8.168 5.858 -3.290 1.00 0.00 C ATOM 1127 C ASN A 78 7.763 4.701 -4.199 1.00 0.00 C ATOM 1128 O ASN A 78 8.294 4.546 -5.299 1.00 0.00 O ATOM 1129 CB ASN A 78 9.481 6.471 -3.781 1.00 0.00 C ATOM 1130 CG ASN A 78 10.636 5.490 -3.718 1.00 0.00 C ATOM 1131 OD1 ASN A 78 10.743 4.585 -4.545 1.00 0.00 O ATOM 1132 ND2 ASN A 78 11.508 5.666 -2.731 1.00 0.00 N ATOM 0 H ASN A 78 7.862 6.024 -1.223 1.00 0.00 H new ATOM 0 HA ASN A 78 7.385 6.616 -3.325 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.356 6.816 -4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.718 7.347 -3.177 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.305 5.037 -2.637 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.380 6.430 -2.068 1.00 0.00 H new ATOM 1139 N LEU A 79 6.818 3.893 -3.731 1.00 0.00 N ATOM 1140 CA LEU A 79 6.340 2.749 -4.501 1.00 0.00 C ATOM 1141 C LEU A 79 5.926 3.174 -5.906 1.00 0.00 C ATOM 1142 O LEU A 79 6.400 2.620 -6.899 1.00 0.00 O ATOM 1143 CB LEU A 79 5.160 2.087 -3.788 1.00 0.00 C ATOM 1144 CG LEU A 79 4.864 0.640 -4.183 1.00 0.00 C ATOM 1145 CD1 LEU A 79 6.107 -0.222 -4.026 1.00 0.00 C ATOM 1146 CD2 LEU A 79 3.718 0.083 -3.351 1.00 0.00 C ATOM 0 H LEU A 79 6.368 4.008 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 79 7.156 2.031 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.346 2.119 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.267 2.684 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 79 4.566 0.624 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.877 -1.248 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.900 0.164 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.436 -0.200 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.522 -0.948 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.987 0.113 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.824 0.684 -3.515 1.00 0.00 H new ATOM 1158 N THR A 80 5.040 4.162 -5.984 1.00 0.00 N ATOM 1159 CA THR A 80 4.563 4.662 -7.267 1.00 0.00 C ATOM 1160 C THR A 80 5.724 5.095 -8.155 1.00 0.00 C ATOM 1161 O THR A 80 5.565 5.265 -9.364 1.00 0.00 O ATOM 1162 CB THR A 80 3.601 5.851 -7.084 1.00 0.00 C ATOM 1163 OG1 THR A 80 4.243 6.890 -6.337 1.00 0.00 O ATOM 1164 CG2 THR A 80 2.332 5.415 -6.368 1.00 0.00 C ATOM 0 H THR A 80 4.638 4.632 -5.173 1.00 0.00 H new ATOM 0 HA THR A 80 4.029 3.842 -7.746 1.00 0.00 H new ATOM 0 HB THR A 80 3.331 6.227 -8.071 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.625 7.643 -6.227 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.668 6.271 -6.250 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.830 4.645 -6.954 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.587 5.016 -5.386 1.00 0.00 H new ATOM 1172 N LEU A 81 6.893 5.270 -7.548 1.00 0.00 N ATOM 1173 CA LEU A 81 8.083 5.682 -8.284 1.00 0.00 C ATOM 1174 C LEU A 81 8.792 4.477 -8.893 1.00 0.00 C ATOM 1175 O LEU A 81 9.170 4.490 -10.064 1.00 0.00 O ATOM 1176 CB LEU A 81 9.040 6.440 -7.362 1.00 0.00 C ATOM 1177 CG LEU A 81 10.126 7.265 -8.054 1.00 0.00 C ATOM 1178 CD1 LEU A 81 10.543 8.438 -7.180 1.00 0.00 C ATOM 1179 CD2 LEU A 81 11.328 6.393 -8.388 1.00 0.00 C ATOM 0 H LEU A 81 7.042 5.133 -6.548 1.00 0.00 H new ATOM 0 HA LEU A 81 7.769 6.342 -9.093 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.453 7.106 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.524 5.720 -6.702 1.00 0.00 H new ATOM 0 HG LEU A 81 9.718 7.658 -8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.316 9.014 -7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.680 9.077 -6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.932 8.065 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.090 6.997 -8.880 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.737 5.970 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.019 5.587 -9.053 1.00 0.00 H new ATOM 1191 N THR A 82 8.968 3.432 -8.089 1.00 0.00 N ATOM 1192 CA THR A 82 9.630 2.218 -8.548 1.00 0.00 C ATOM 1193 C THR A 82 8.750 1.447 -9.525 1.00 0.00 C ATOM 1194 O THR A 82 9.221 0.557 -10.231 1.00 0.00 O ATOM 1195 CB THR A 82 9.995 1.297 -7.368 1.00 0.00 C ATOM 1196 OG1 THR A 82 8.809 0.896 -6.674 1.00 0.00 O ATOM 1197 CG2 THR A 82 10.938 2.001 -6.404 1.00 0.00 C ATOM 0 H THR A 82 8.661 3.403 -7.117 1.00 0.00 H new ATOM 0 HA THR A 82 10.544 2.529 -9.054 1.00 0.00 H new ATOM 0 HB THR A 82 10.498 0.416 -7.766 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.061 1.468 -6.946 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.182 1.331 -5.579 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.853 2.279 -6.928 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.456 2.897 -6.013 1.00 0.00 H new ATOM 1205 N GLY A 83 7.467 1.796 -9.561 1.00 0.00 N ATOM 1206 CA GLY A 83 6.541 1.127 -10.456 1.00 0.00 C ATOM 1207 C GLY A 83 6.748 -0.374 -10.488 1.00 0.00 C ATOM 1208 O GLY A 83 6.633 -1.000 -11.542 1.00 0.00 O ATOM 0 H GLY A 83 7.053 2.530 -8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.519 1.343 -10.144 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.659 1.529 -11.462 1.00 0.00 H new ATOM 1212 N GLU A 84 7.056 -0.953 -9.332 1.00 0.00 N ATOM 1213 CA GLU A 84 7.282 -2.390 -9.234 1.00 0.00 C ATOM 1214 C GLU A 84 6.145 -3.069 -8.476 1.00 0.00 C ATOM 1215 O GLU A 84 5.727 -2.627 -7.406 1.00 0.00 O ATOM 1216 CB GLU A 84 8.614 -2.673 -8.536 1.00 0.00 C ATOM 1217 CG GLU A 84 9.824 -2.490 -9.437 1.00 0.00 C ATOM 1218 CD GLU A 84 10.088 -3.701 -10.311 1.00 0.00 C ATOM 1219 OE1 GLU A 84 10.420 -4.771 -9.760 1.00 0.00 O ATOM 1220 OE2 GLU A 84 9.962 -3.577 -11.548 1.00 0.00 O ATOM 0 H GLU A 84 7.155 -0.449 -8.451 1.00 0.00 H new ATOM 0 HA GLU A 84 7.316 -2.796 -10.245 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.710 -2.013 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.606 -3.695 -8.156 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.672 -1.616 -10.070 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.703 -2.291 -8.823 1.00 0.00 H new ATOM 1227 N PRO A 85 5.630 -4.170 -9.045 1.00 0.00 N ATOM 1228 CA PRO A 85 4.535 -4.934 -8.441 1.00 0.00 C ATOM 1229 C PRO A 85 4.968 -5.670 -7.178 1.00 0.00 C ATOM 1230 O PRO A 85 6.135 -6.034 -7.030 1.00 0.00 O ATOM 1231 CB PRO A 85 4.153 -5.932 -9.537 1.00 0.00 C ATOM 1232 CG PRO A 85 5.389 -6.089 -10.354 1.00 0.00 C ATOM 1233 CD PRO A 85 6.080 -4.754 -10.320 1.00 0.00 C ATOM 0 HA PRO A 85 3.714 -4.290 -8.126 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.836 -6.884 -9.112 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.325 -5.560 -10.140 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.030 -6.871 -9.946 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.147 -6.377 -11.377 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.164 -4.862 -10.352 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.796 -4.133 -11.169 1.00 0.00 H new ATOM 1241 N ILE A 86 4.021 -5.886 -6.271 1.00 0.00 N ATOM 1242 CA ILE A 86 4.306 -6.580 -5.021 1.00 0.00 C ATOM 1243 C ILE A 86 4.035 -8.075 -5.148 1.00 0.00 C ATOM 1244 O ILE A 86 2.884 -8.512 -5.123 1.00 0.00 O ATOM 1245 CB ILE A 86 3.467 -6.015 -3.859 1.00 0.00 C ATOM 1246 CG1 ILE A 86 3.900 -4.582 -3.540 1.00 0.00 C ATOM 1247 CG2 ILE A 86 3.600 -6.901 -2.630 1.00 0.00 C ATOM 1248 CD1 ILE A 86 2.782 -3.721 -2.995 1.00 0.00 C ATOM 0 H ILE A 86 3.051 -5.591 -6.378 1.00 0.00 H new ATOM 0 HA ILE A 86 5.363 -6.421 -4.806 1.00 0.00 H new ATOM 0 HB ILE A 86 2.419 -6.000 -4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.713 -4.610 -2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.295 -4.120 -4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.002 -6.489 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.249 -7.905 -2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.645 -6.945 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.160 -2.719 -2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.977 -3.663 -3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.402 -4.160 -2.072 1.00 0.00 H new ATOM 1260 N ARG A 87 5.102 -8.855 -5.284 1.00 0.00 N ATOM 1261 CA ARG A 87 4.980 -10.302 -5.414 1.00 0.00 C ATOM 1262 C ARG A 87 4.821 -10.960 -4.047 1.00 0.00 C ATOM 1263 O ARG A 87 5.523 -10.615 -3.095 1.00 0.00 O ATOM 1264 CB ARG A 87 6.204 -10.876 -6.129 1.00 0.00 C ATOM 1265 CG ARG A 87 5.984 -12.273 -6.688 1.00 0.00 C ATOM 1266 CD ARG A 87 6.846 -12.524 -7.916 1.00 0.00 C ATOM 1267 NE ARG A 87 6.239 -13.496 -8.821 1.00 0.00 N ATOM 1268 CZ ARG A 87 6.843 -13.966 -9.906 1.00 0.00 C ATOM 1269 NH1 ARG A 87 8.064 -13.556 -10.219 1.00 0.00 N ATOM 1270 NH2 ARG A 87 6.225 -14.849 -10.681 1.00 0.00 N ATOM 0 H ARG A 87 6.061 -8.509 -5.307 1.00 0.00 H new ATOM 0 HA ARG A 87 4.089 -10.514 -6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.485 -10.208 -6.943 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.043 -10.900 -5.433 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.216 -13.013 -5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.933 -12.401 -6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.004 -11.585 -8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.827 -12.883 -7.603 1.00 0.00 H new ATOM 0 HE ARG A 87 5.300 -13.832 -8.608 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.542 -12.878 -9.626 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.526 -13.919 -11.053 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.285 -15.167 -10.443 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.690 -15.210 -11.514 1.00 0.00 H new ATOM 1284 N HIS A 88 3.894 -11.908 -3.956 1.00 0.00 N ATOM 1285 CA HIS A 88 3.643 -12.614 -2.705 1.00 0.00 C ATOM 1286 C HIS A 88 2.882 -13.912 -2.957 1.00 0.00 C ATOM 1287 O HIS A 88 1.893 -13.931 -3.690 1.00 0.00 O ATOM 1288 CB HIS A 88 2.854 -11.726 -1.742 1.00 0.00 C ATOM 1289 CG HIS A 88 3.721 -10.894 -0.848 1.00 0.00 C ATOM 1290 ND1 HIS A 88 4.669 -11.434 -0.004 1.00 0.00 N ATOM 1291 CD2 HIS A 88 3.781 -9.554 -0.670 1.00 0.00 C ATOM 1292 CE1 HIS A 88 5.273 -10.462 0.655 1.00 0.00 C ATOM 1293 NE2 HIS A 88 4.753 -9.311 0.270 1.00 0.00 N ATOM 0 H HIS A 88 3.304 -12.205 -4.734 1.00 0.00 H new ATOM 0 HA HIS A 88 4.606 -12.858 -2.256 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.203 -11.068 -2.318 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.209 -12.354 -1.127 1.00 0.00 H new ATOM 0 HD2 HIS A 88 3.177 -8.813 -1.173 1.00 0.00 H new ATOM 0 HE1 HIS A 88 6.059 -10.587 1.385 1.00 0.00 H new ATOM 0 HE2 HIS A 88 5.028 -8.391 0.614 1.00 0.00 H new ATOM 1302 N ARG A 89 3.349 -14.995 -2.345 1.00 0.00 N ATOM 1303 CA ARG A 89 2.714 -16.298 -2.505 1.00 0.00 C ATOM 1304 C ARG A 89 2.155 -16.797 -1.175 1.00 0.00 C ATOM 1305 O ARG A 89 2.712 -16.519 -0.113 1.00 0.00 O ATOM 1306 CB ARG A 89 3.715 -17.312 -3.062 1.00 0.00 C ATOM 1307 CG ARG A 89 3.059 -18.508 -3.732 1.00 0.00 C ATOM 1308 CD ARG A 89 4.020 -19.682 -3.839 1.00 0.00 C ATOM 1309 NE ARG A 89 4.334 -20.254 -2.533 1.00 0.00 N ATOM 1310 CZ ARG A 89 5.083 -21.338 -2.365 1.00 0.00 C ATOM 1311 NH1 ARG A 89 5.593 -21.964 -3.417 1.00 0.00 N ATOM 1312 NH2 ARG A 89 5.324 -21.797 -1.144 1.00 0.00 N ATOM 0 H ARG A 89 4.165 -14.996 -1.733 1.00 0.00 H new ATOM 0 HA ARG A 89 1.889 -16.188 -3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.363 -16.813 -3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.352 -17.664 -2.251 1.00 0.00 H new ATOM 0 HG2 ARG A 89 2.179 -18.808 -3.163 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.715 -18.226 -4.727 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.583 -20.451 -4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.941 -19.354 -4.322 1.00 0.00 H new ATOM 0 HE ARG A 89 3.957 -19.796 -1.703 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.410 -21.613 -4.357 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.168 -22.796 -3.286 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.934 -21.317 -0.333 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.899 -22.630 -1.016 1.00 0.00 H new ATOM 1326 N TYR A 90 1.052 -17.534 -1.243 1.00 0.00 N ATOM 1327 CA TYR A 90 0.416 -18.069 -0.045 1.00 0.00 C ATOM 1328 C TYR A 90 0.720 -19.555 0.115 1.00 0.00 C ATOM 1329 O TYR A 90 1.102 -20.228 -0.842 1.00 0.00 O ATOM 1330 CB TYR A 90 -1.097 -17.850 -0.104 1.00 0.00 C ATOM 1331 CG TYR A 90 -1.516 -16.431 0.206 1.00 0.00 C ATOM 1332 CD1 TYR A 90 -1.120 -15.810 1.384 1.00 0.00 C ATOM 1333 CD2 TYR A 90 -2.307 -15.710 -0.680 1.00 0.00 C ATOM 1334 CE1 TYR A 90 -1.501 -14.514 1.672 1.00 0.00 C ATOM 1335 CE2 TYR A 90 -2.692 -14.413 -0.401 1.00 0.00 C ATOM 1336 CZ TYR A 90 -2.287 -13.819 0.776 1.00 0.00 C ATOM 1337 OH TYR A 90 -2.667 -12.527 1.058 1.00 0.00 O ATOM 0 H TYR A 90 0.580 -17.774 -2.115 1.00 0.00 H new ATOM 0 HA TYR A 90 0.820 -17.539 0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.456 -18.117 -1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.581 -18.525 0.602 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.503 -16.350 2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.626 -16.172 -1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.185 -14.047 2.593 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.307 -13.867 -1.101 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.217 -12.180 0.325 1.00 0.00 H new ATOM 1347 N GLU A 91 0.546 -20.060 1.333 1.00 0.00 N ATOM 1348 CA GLU A 91 0.802 -21.467 1.619 1.00 0.00 C ATOM 1349 C GLU A 91 -0.501 -22.212 1.893 1.00 0.00 C ATOM 1350 O GLU A 91 -0.784 -23.238 1.273 1.00 0.00 O ATOM 1351 CB GLU A 91 1.742 -21.603 2.819 1.00 0.00 C ATOM 1352 CG GLU A 91 1.948 -23.039 3.271 1.00 0.00 C ATOM 1353 CD GLU A 91 3.075 -23.729 2.527 1.00 0.00 C ATOM 1354 OE1 GLU A 91 4.097 -23.067 2.251 1.00 0.00 O ATOM 1355 OE2 GLU A 91 2.934 -24.932 2.220 1.00 0.00 O ATOM 0 H GLU A 91 0.229 -19.517 2.136 1.00 0.00 H new ATOM 0 HA GLU A 91 1.276 -21.909 0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.709 -21.169 2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 91 1.342 -21.023 3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.162 -23.052 4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 91 1.024 -23.598 3.123 1.00 0.00 H new ATOM 1362 N SER A 92 -1.291 -21.689 2.825 1.00 0.00 N ATOM 1363 CA SER A 92 -2.562 -22.306 3.184 1.00 0.00 C ATOM 1364 C SER A 92 -3.734 -21.444 2.725 1.00 0.00 C ATOM 1365 O SER A 92 -3.639 -20.219 2.634 1.00 0.00 O ATOM 1366 CB SER A 92 -2.637 -22.526 4.696 1.00 0.00 C ATOM 1367 OG SER A 92 -2.771 -21.294 5.384 1.00 0.00 O ATOM 0 H SER A 92 -1.073 -20.839 3.345 1.00 0.00 H new ATOM 0 HA SER A 92 -2.624 -23.270 2.680 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.483 -23.172 4.931 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.739 -23.041 5.037 1.00 0.00 H new ATOM 0 HG SER A 92 -2.819 -21.461 6.348 1.00 0.00 H new ATOM 1373 N PRO A 93 -4.868 -22.096 2.428 1.00 0.00 N ATOM 1374 CA PRO A 93 -6.081 -21.410 1.974 1.00 0.00 C ATOM 1375 C PRO A 93 -6.729 -20.586 3.081 1.00 0.00 C ATOM 1376 O PRO A 93 -6.544 -20.864 4.265 1.00 0.00 O ATOM 1377 CB PRO A 93 -7.001 -22.558 1.553 1.00 0.00 C ATOM 1378 CG PRO A 93 -6.537 -23.728 2.350 1.00 0.00 C ATOM 1379 CD PRO A 93 -5.053 -23.555 2.514 1.00 0.00 C ATOM 0 HA PRO A 93 -5.872 -20.698 1.175 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.045 -22.326 1.762 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.926 -22.753 0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.035 -23.762 3.319 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.767 -24.663 1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.706 -23.948 3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.499 -24.077 1.734 1.00 0.00 H new ATOM 1387 N GLY A 94 -7.492 -19.570 2.688 1.00 0.00 N ATOM 1388 CA GLY A 94 -8.156 -18.721 3.659 1.00 0.00 C ATOM 1389 C GLY A 94 -8.164 -17.263 3.246 1.00 0.00 C ATOM 1390 O GLY A 94 -7.216 -16.782 2.625 1.00 0.00 O ATOM 0 H GLY A 94 -7.662 -19.320 1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.182 -19.063 3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.658 -18.819 4.624 1.00 0.00 H new ATOM 1394 N ILE A 95 -9.237 -16.558 3.590 1.00 0.00 N ATOM 1395 CA ILE A 95 -9.363 -15.146 3.250 1.00 0.00 C ATOM 1396 C ILE A 95 -8.262 -14.321 3.908 1.00 0.00 C ATOM 1397 O ILE A 95 -8.145 -14.288 5.133 1.00 0.00 O ATOM 1398 CB ILE A 95 -10.733 -14.585 3.675 1.00 0.00 C ATOM 1399 CG1 ILE A 95 -11.849 -15.217 2.841 1.00 0.00 C ATOM 1400 CG2 ILE A 95 -10.752 -13.071 3.535 1.00 0.00 C ATOM 1401 CD1 ILE A 95 -12.097 -14.509 1.528 1.00 0.00 C ATOM 0 H ILE A 95 -10.031 -16.941 4.103 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.270 -15.073 2.166 1.00 0.00 H new ATOM 0 HB ILE A 95 -10.902 -14.835 4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.597 -16.258 2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -12.770 -15.218 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.727 -12.690 3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.979 -12.637 4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.564 -12.799 2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -12.901 -15.011 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.380 -13.474 1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -11.189 -14.530 0.926 1.00 0.00 H new ATOM 1413 N TYR A 96 -7.458 -13.656 3.086 1.00 0.00 N ATOM 1414 CA TYR A 96 -6.366 -12.831 3.588 1.00 0.00 C ATOM 1415 C TYR A 96 -6.776 -11.363 3.650 1.00 0.00 C ATOM 1416 O TYR A 96 -7.714 -10.940 2.975 1.00 0.00 O ATOM 1417 CB TYR A 96 -5.130 -12.990 2.701 1.00 0.00 C ATOM 1418 CG TYR A 96 -4.448 -14.331 2.847 1.00 0.00 C ATOM 1419 CD1 TYR A 96 -3.604 -14.590 3.921 1.00 0.00 C ATOM 1420 CD2 TYR A 96 -4.645 -15.339 1.912 1.00 0.00 C ATOM 1421 CE1 TYR A 96 -2.978 -15.813 4.059 1.00 0.00 C ATOM 1422 CE2 TYR A 96 -4.024 -16.566 2.043 1.00 0.00 C ATOM 1423 CZ TYR A 96 -3.192 -16.799 3.118 1.00 0.00 C ATOM 1424 OH TYR A 96 -2.570 -18.019 3.250 1.00 0.00 O ATOM 0 H TYR A 96 -7.542 -13.672 2.070 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.126 -13.165 4.597 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.420 -12.851 1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.417 -12.201 2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.435 -13.821 4.660 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -5.295 -15.160 1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.324 -15.997 4.899 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -4.189 -17.339 1.307 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.985 -18.665 2.642 1.00 0.00 H new ATOM 1434 N ARG A 97 -6.065 -10.591 4.465 1.00 0.00 N ATOM 1435 CA ARG A 97 -6.354 -9.170 4.617 1.00 0.00 C ATOM 1436 C ARG A 97 -5.141 -8.325 4.238 1.00 0.00 C ATOM 1437 O ARG A 97 -4.170 -8.240 4.991 1.00 0.00 O ATOM 1438 CB ARG A 97 -6.773 -8.864 6.056 1.00 0.00 C ATOM 1439 CG ARG A 97 -8.163 -9.369 6.407 1.00 0.00 C ATOM 1440 CD ARG A 97 -8.733 -8.640 7.613 1.00 0.00 C ATOM 1441 NE ARG A 97 -9.845 -9.368 8.218 1.00 0.00 N ATOM 1442 CZ ARG A 97 -10.581 -8.890 9.215 1.00 0.00 C ATOM 1443 NH1 ARG A 97 -10.324 -7.690 9.716 1.00 0.00 N ATOM 1444 NH2 ARG A 97 -11.576 -9.613 9.713 1.00 0.00 N ATOM 0 H ARG A 97 -5.285 -10.926 5.030 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.175 -8.918 3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.050 -9.311 6.739 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.737 -7.786 6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.826 -9.235 5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.121 -10.438 6.613 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.947 -8.497 8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.070 -7.649 7.311 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.069 -10.295 7.855 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.560 -7.132 9.336 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.891 -7.325 10.482 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -11.776 -10.537 9.330 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -12.140 -9.245 10.479 1.00 0.00 H new ATOM 1458 N VAL A 98 -5.204 -7.701 3.066 1.00 0.00 N ATOM 1459 CA VAL A 98 -4.112 -6.862 2.587 1.00 0.00 C ATOM 1460 C VAL A 98 -4.419 -5.384 2.801 1.00 0.00 C ATOM 1461 O VAL A 98 -5.554 -4.943 2.620 1.00 0.00 O ATOM 1462 CB VAL A 98 -3.831 -7.105 1.092 1.00 0.00 C ATOM 1463 CG1 VAL A 98 -2.691 -6.220 0.612 1.00 0.00 C ATOM 1464 CG2 VAL A 98 -3.519 -8.573 0.841 1.00 0.00 C ATOM 0 H VAL A 98 -6.000 -7.761 2.431 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.228 -7.134 3.164 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.725 -6.844 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.507 -6.406 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.958 -5.173 0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.790 -6.446 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.323 -8.727 -0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.641 -8.862 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.370 -9.183 1.145 1.00 0.00 H new ATOM 1474 N SER A 99 -3.400 -4.623 3.187 1.00 0.00 N ATOM 1475 CA SER A 99 -3.562 -3.194 3.430 1.00 0.00 C ATOM 1476 C SER A 99 -2.370 -2.413 2.884 1.00 0.00 C ATOM 1477 O SER A 99 -1.301 -2.974 2.646 1.00 0.00 O ATOM 1478 CB SER A 99 -3.722 -2.924 4.927 1.00 0.00 C ATOM 1479 OG SER A 99 -2.462 -2.737 5.549 1.00 0.00 O ATOM 0 H SER A 99 -2.454 -4.972 3.338 1.00 0.00 H new ATOM 0 HA SER A 99 -4.461 -2.861 2.911 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.340 -2.038 5.076 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.243 -3.758 5.397 1.00 0.00 H new ATOM 0 HG SER A 99 -2.591 -2.564 6.505 1.00 0.00 H new ATOM 1485 N VAL A 100 -2.563 -1.112 2.689 1.00 0.00 N ATOM 1486 CA VAL A 100 -1.506 -0.251 2.174 1.00 0.00 C ATOM 1487 C VAL A 100 -1.566 1.134 2.807 1.00 0.00 C ATOM 1488 O VAL A 100 -2.500 1.899 2.563 1.00 0.00 O ATOM 1489 CB VAL A 100 -1.595 -0.108 0.643 1.00 0.00 C ATOM 1490 CG1 VAL A 100 -2.864 0.633 0.249 1.00 0.00 C ATOM 1491 CG2 VAL A 100 -0.364 0.602 0.101 1.00 0.00 C ATOM 0 H VAL A 100 -3.442 -0.632 2.880 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.559 -0.724 2.433 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.633 -1.105 0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.910 0.725 -0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.734 0.079 0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.859 1.627 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.444 0.694 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.292 1.595 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.527 0.027 0.351 1.00 0.00 H new ATOM 1501 N ARG A 101 -0.565 1.451 3.621 1.00 0.00 N ATOM 1502 CA ARG A 101 -0.504 2.744 4.291 1.00 0.00 C ATOM 1503 C ARG A 101 0.334 3.734 3.487 1.00 0.00 C ATOM 1504 O ARG A 101 1.158 3.339 2.663 1.00 0.00 O ATOM 1505 CB ARG A 101 0.079 2.588 5.696 1.00 0.00 C ATOM 1506 CG ARG A 101 -0.432 3.622 6.686 1.00 0.00 C ATOM 1507 CD ARG A 101 0.449 3.692 7.924 1.00 0.00 C ATOM 1508 NE ARG A 101 -0.295 4.131 9.101 1.00 0.00 N ATOM 1509 CZ ARG A 101 0.241 4.234 10.313 1.00 0.00 C ATOM 1510 NH1 ARG A 101 1.517 3.931 10.505 1.00 0.00 N ATOM 1511 NH2 ARG A 101 -0.501 4.641 11.335 1.00 0.00 N ATOM 0 H ARG A 101 0.216 0.829 3.833 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.519 3.133 4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.157 1.592 6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.165 2.658 5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.466 4.600 6.207 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.453 3.374 6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.884 2.711 8.115 1.00 0.00 H new ATOM 0 HD3 ARG A 101 1.277 4.378 7.742 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.280 4.372 8.987 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.090 3.618 9.722 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.926 4.011 11.436 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -1.483 4.875 11.191 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.089 4.720 12.265 1.00 0.00 H new ATOM 1525 N ALA A 102 0.118 5.022 3.734 1.00 0.00 N ATOM 1526 CA ALA A 102 0.854 6.068 3.035 1.00 0.00 C ATOM 1527 C ALA A 102 0.819 7.378 3.814 1.00 0.00 C ATOM 1528 O ALA A 102 -0.230 7.788 4.308 1.00 0.00 O ATOM 1529 CB ALA A 102 0.289 6.267 1.637 1.00 0.00 C ATOM 0 H ALA A 102 -0.561 5.366 4.413 1.00 0.00 H new ATOM 0 HA ALA A 102 1.894 5.753 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.848 7.051 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.373 5.337 1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.760 6.556 1.706 1.00 0.00 H new ATOM 1535 N GLU A 103 1.973 8.030 3.920 1.00 0.00 N ATOM 1536 CA GLU A 103 2.073 9.293 4.641 1.00 0.00 C ATOM 1537 C GLU A 103 3.193 10.158 4.070 1.00 0.00 C ATOM 1538 O GLU A 103 4.373 9.861 4.248 1.00 0.00 O ATOM 1539 CB GLU A 103 2.319 9.039 6.129 1.00 0.00 C ATOM 1540 CG GLU A 103 2.233 10.292 6.983 1.00 0.00 C ATOM 1541 CD GLU A 103 3.111 10.219 8.218 1.00 0.00 C ATOM 1542 OE1 GLU A 103 2.652 9.666 9.239 1.00 0.00 O ATOM 1543 OE2 GLU A 103 4.256 10.713 8.162 1.00 0.00 O ATOM 0 H GLU A 103 2.851 7.704 3.516 1.00 0.00 H new ATOM 0 HA GLU A 103 1.129 9.825 4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.591 8.313 6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.305 8.591 6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.525 11.155 6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.198 10.450 7.287 1.00 0.00 H new ATOM 1550 N ASN A 104 2.813 11.230 3.381 1.00 0.00 N ATOM 1551 CA ASN A 104 3.784 12.138 2.782 1.00 0.00 C ATOM 1552 C ASN A 104 3.721 13.513 3.441 1.00 0.00 C ATOM 1553 O ASN A 104 2.801 13.807 4.205 1.00 0.00 O ATOM 1554 CB ASN A 104 3.532 12.268 1.279 1.00 0.00 C ATOM 1555 CG ASN A 104 2.097 12.644 0.963 1.00 0.00 C ATOM 1556 OD1 ASN A 104 1.165 12.194 1.631 1.00 0.00 O ATOM 1557 ND2 ASN A 104 1.913 13.472 -0.058 1.00 0.00 N ATOM 0 H ASN A 104 1.839 11.491 3.224 1.00 0.00 H new ATOM 0 HA ASN A 104 4.779 11.723 2.942 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.202 13.022 0.865 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.773 11.324 0.790 1.00 0.00 H new ATOM 0 HD21 ASN A 104 0.970 13.760 -0.317 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.715 13.820 -0.583 1.00 0.00 H new ATOM 1564 N THR A 105 4.706 14.353 3.140 1.00 0.00 N ATOM 1565 CA THR A 105 4.764 15.696 3.702 1.00 0.00 C ATOM 1566 C THR A 105 3.399 16.373 3.650 1.00 0.00 C ATOM 1567 O THR A 105 2.977 17.014 4.612 1.00 0.00 O ATOM 1568 CB THR A 105 5.788 16.573 2.957 1.00 0.00 C ATOM 1569 OG1 THR A 105 5.438 16.667 1.572 1.00 0.00 O ATOM 1570 CG2 THR A 105 7.191 16.001 3.093 1.00 0.00 C ATOM 0 H THR A 105 5.475 14.126 2.509 1.00 0.00 H new ATOM 0 HA THR A 105 5.075 15.591 4.741 1.00 0.00 H new ATOM 0 HB THR A 105 5.773 17.568 3.403 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.093 17.228 1.106 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.897 16.637 2.559 1.00 0.00 H new ATOM 0 HG22 THR A 105 7.466 15.959 4.147 1.00 0.00 H new ATOM 0 HG23 THR A 105 7.217 14.996 2.671 1.00 0.00 H new ATOM 1578 N ALA A 106 2.714 16.226 2.521 1.00 0.00 N ATOM 1579 CA ALA A 106 1.395 16.822 2.345 1.00 0.00 C ATOM 1580 C ALA A 106 0.389 16.228 3.325 1.00 0.00 C ATOM 1581 O ALA A 106 -0.029 16.886 4.276 1.00 0.00 O ATOM 1582 CB ALA A 106 0.916 16.630 0.913 1.00 0.00 C ATOM 0 H ALA A 106 3.050 15.700 1.715 1.00 0.00 H new ATOM 0 HA ALA A 106 1.476 17.890 2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.070 17.080 0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.616 17.108 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.858 15.565 0.688 1.00 0.00 H new ATOM 1588 N GLY A 107 0.004 14.978 3.085 1.00 0.00 N ATOM 1589 CA GLY A 107 -0.951 14.316 3.956 1.00 0.00 C ATOM 1590 C GLY A 107 -0.689 12.828 4.078 1.00 0.00 C ATOM 1591 O GLY A 107 0.456 12.382 3.992 1.00 0.00 O ATOM 0 H GLY A 107 0.336 14.412 2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.912 14.771 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.959 14.474 3.572 1.00 0.00 H new ATOM 1595 N HIS A 108 -1.752 12.057 4.282 1.00 0.00 N ATOM 1596 CA HIS A 108 -1.632 10.609 4.418 1.00 0.00 C ATOM 1597 C HIS A 108 -2.903 9.912 3.943 1.00 0.00 C ATOM 1598 O HIS A 108 -3.993 10.481 3.997 1.00 0.00 O ATOM 1599 CB HIS A 108 -1.344 10.235 5.872 1.00 0.00 C ATOM 1600 CG HIS A 108 -2.468 10.558 6.808 1.00 0.00 C ATOM 1601 ND1 HIS A 108 -3.136 11.764 6.793 1.00 0.00 N ATOM 1602 CD2 HIS A 108 -3.042 9.824 7.790 1.00 0.00 C ATOM 1603 CE1 HIS A 108 -4.071 11.758 7.727 1.00 0.00 C ATOM 1604 NE2 HIS A 108 -4.035 10.592 8.345 1.00 0.00 N ATOM 0 H HIS A 108 -2.706 12.410 4.357 1.00 0.00 H new ATOM 0 HA HIS A 108 -0.802 10.277 3.794 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -1.131 9.168 5.928 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -0.446 10.757 6.202 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -2.769 8.821 8.082 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.749 12.569 7.947 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -4.646 10.308 9.111 1.00 0.00 H new ATOM 1613 N ASP A 109 -2.755 8.676 3.478 1.00 0.00 N ATOM 1614 CA ASP A 109 -3.890 7.900 2.993 1.00 0.00 C ATOM 1615 C ASP A 109 -3.688 6.413 3.264 1.00 0.00 C ATOM 1616 O ASP A 109 -2.578 5.973 3.565 1.00 0.00 O ATOM 1617 CB ASP A 109 -4.094 8.135 1.496 1.00 0.00 C ATOM 1618 CG ASP A 109 -5.534 7.930 1.068 1.00 0.00 C ATOM 1619 OD1 ASP A 109 -6.311 7.350 1.856 1.00 0.00 O ATOM 1620 OD2 ASP A 109 -5.885 8.351 -0.054 1.00 0.00 O ATOM 0 H ASP A 109 -1.860 8.190 3.427 1.00 0.00 H new ATOM 0 HA ASP A 109 -4.779 8.231 3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.785 9.150 1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.451 7.457 0.934 1.00 0.00 H new ATOM 1625 N GLU A 110 -4.767 5.644 3.156 1.00 0.00 N ATOM 1626 CA GLU A 110 -4.707 4.207 3.392 1.00 0.00 C ATOM 1627 C GLU A 110 -5.818 3.484 2.636 1.00 0.00 C ATOM 1628 O GLU A 110 -6.879 4.053 2.378 1.00 0.00 O ATOM 1629 CB GLU A 110 -4.815 3.908 4.889 1.00 0.00 C ATOM 1630 CG GLU A 110 -4.834 2.423 5.213 1.00 0.00 C ATOM 1631 CD GLU A 110 -5.030 2.152 6.692 1.00 0.00 C ATOM 1632 OE1 GLU A 110 -4.031 2.193 7.441 1.00 0.00 O ATOM 1633 OE2 GLU A 110 -6.183 1.898 7.101 1.00 0.00 O ATOM 0 H GLU A 110 -5.693 5.992 2.907 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.747 3.845 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.975 4.373 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -5.723 4.368 5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.634 1.942 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.898 1.971 4.885 1.00 0.00 H new ATOM 1640 N ALA A 111 -5.566 2.228 2.283 1.00 0.00 N ATOM 1641 CA ALA A 111 -6.544 1.427 1.558 1.00 0.00 C ATOM 1642 C ALA A 111 -6.643 0.021 2.140 1.00 0.00 C ATOM 1643 O ALA A 111 -5.829 -0.375 2.975 1.00 0.00 O ATOM 1644 CB ALA A 111 -6.185 1.365 0.081 1.00 0.00 C ATOM 0 H ALA A 111 -4.692 1.743 2.488 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.518 1.905 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.924 0.763 -0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.174 2.373 -0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -5.200 0.914 -0.035 1.00 0.00 H new ATOM 1650 N VAL A 112 -7.645 -0.730 1.695 1.00 0.00 N ATOM 1651 CA VAL A 112 -7.850 -2.093 2.172 1.00 0.00 C ATOM 1652 C VAL A 112 -8.308 -3.007 1.042 1.00 0.00 C ATOM 1653 O VAL A 112 -9.175 -2.643 0.247 1.00 0.00 O ATOM 1654 CB VAL A 112 -8.888 -2.140 3.309 1.00 0.00 C ATOM 1655 CG1 VAL A 112 -9.097 -3.570 3.782 1.00 0.00 C ATOM 1656 CG2 VAL A 112 -8.456 -1.246 4.461 1.00 0.00 C ATOM 0 H VAL A 112 -8.328 -0.418 1.005 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.890 -2.443 2.552 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.838 -1.767 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.834 -3.584 4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.454 -4.179 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.153 -3.974 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -9.201 -1.291 5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -7.494 -1.587 4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -8.363 -0.219 4.109 1.00 0.00 H new ATOM 1666 N LEU A 113 -7.720 -4.197 0.976 1.00 0.00 N ATOM 1667 CA LEU A 113 -8.068 -5.166 -0.058 1.00 0.00 C ATOM 1668 C LEU A 113 -8.118 -6.579 0.515 1.00 0.00 C ATOM 1669 O LEU A 113 -7.193 -7.015 1.201 1.00 0.00 O ATOM 1670 CB LEU A 113 -7.058 -5.104 -1.204 1.00 0.00 C ATOM 1671 CG LEU A 113 -7.504 -5.726 -2.527 1.00 0.00 C ATOM 1672 CD1 LEU A 113 -6.843 -5.020 -3.700 1.00 0.00 C ATOM 1673 CD2 LEU A 113 -7.187 -7.214 -2.551 1.00 0.00 C ATOM 0 H LEU A 113 -7.000 -4.514 1.626 1.00 0.00 H new ATOM 0 HA LEU A 113 -9.057 -4.913 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.807 -4.059 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.143 -5.601 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 113 -8.583 -5.603 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -7.173 -5.477 -4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -7.121 -3.966 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.760 -5.110 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -7.512 -7.640 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.113 -7.359 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.709 -7.711 -1.733 1.00 0.00 H new ATOM 1685 N PHE A 114 -9.203 -7.290 0.228 1.00 0.00 N ATOM 1686 CA PHE A 114 -9.374 -8.655 0.714 1.00 0.00 C ATOM 1687 C PHE A 114 -9.109 -9.665 -0.399 1.00 0.00 C ATOM 1688 O PHE A 114 -9.577 -9.501 -1.526 1.00 0.00 O ATOM 1689 CB PHE A 114 -10.786 -8.848 1.269 1.00 0.00 C ATOM 1690 CG PHE A 114 -10.920 -8.466 2.715 1.00 0.00 C ATOM 1691 CD1 PHE A 114 -10.466 -7.236 3.165 1.00 0.00 C ATOM 1692 CD2 PHE A 114 -11.499 -9.335 3.625 1.00 0.00 C ATOM 1693 CE1 PHE A 114 -10.587 -6.880 4.495 1.00 0.00 C ATOM 1694 CE2 PHE A 114 -11.623 -8.985 4.956 1.00 0.00 C ATOM 1695 CZ PHE A 114 -11.166 -7.757 5.392 1.00 0.00 C ATOM 0 H PHE A 114 -9.977 -6.944 -0.339 1.00 0.00 H new ATOM 0 HA PHE A 114 -8.652 -8.824 1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -11.484 -8.254 0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -11.075 -9.892 1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -10.012 -6.547 2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -11.858 -10.297 3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -10.230 -5.918 4.832 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -12.077 -9.672 5.655 1.00 0.00 H new ATOM 0 HZ PHE A 114 -11.261 -7.483 6.432 1.00 0.00 H new ATOM 1705 N VAL A 115 -8.356 -10.711 -0.074 1.00 0.00 N ATOM 1706 CA VAL A 115 -8.029 -11.748 -1.044 1.00 0.00 C ATOM 1707 C VAL A 115 -8.674 -13.077 -0.666 1.00 0.00 C ATOM 1708 O VAL A 115 -8.546 -13.540 0.467 1.00 0.00 O ATOM 1709 CB VAL A 115 -6.506 -11.945 -1.164 1.00 0.00 C ATOM 1710 CG1 VAL A 115 -6.190 -13.140 -2.051 1.00 0.00 C ATOM 1711 CG2 VAL A 115 -5.847 -10.683 -1.700 1.00 0.00 C ATOM 0 H VAL A 115 -7.961 -10.862 0.854 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.422 -11.417 -2.005 1.00 0.00 H new ATOM 0 HB VAL A 115 -6.103 -12.144 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.109 -13.263 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.630 -14.039 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.604 -12.975 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.771 -10.840 -1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.253 -10.451 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.044 -9.853 -1.021 1.00 0.00 H new ATOM 1721 N GLN A 116 -9.367 -13.686 -1.624 1.00 0.00 N ATOM 1722 CA GLN A 116 -10.032 -14.962 -1.390 1.00 0.00 C ATOM 1723 C GLN A 116 -9.320 -16.090 -2.130 1.00 0.00 C ATOM 1724 O GLN A 116 -9.192 -16.061 -3.354 1.00 0.00 O ATOM 1725 CB GLN A 116 -11.494 -14.888 -1.835 1.00 0.00 C ATOM 1726 CG GLN A 116 -12.140 -16.250 -2.031 1.00 0.00 C ATOM 1727 CD GLN A 116 -13.640 -16.160 -2.234 1.00 0.00 C ATOM 1728 OE1 GLN A 116 -14.111 -15.627 -3.239 1.00 0.00 O ATOM 1729 NE2 GLN A 116 -14.399 -16.684 -1.279 1.00 0.00 N ATOM 0 H GLN A 116 -9.482 -13.316 -2.568 1.00 0.00 H new ATOM 0 HA GLN A 116 -9.995 -15.172 -0.321 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -12.063 -14.329 -1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -11.553 -14.329 -2.769 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -11.689 -16.741 -2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -11.931 -16.875 -1.163 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -13.966 -17.116 -0.463 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -15.415 -16.654 -1.361 1.00 0.00 H new ATOM 1738 N VAL A 117 -8.857 -17.084 -1.378 1.00 0.00 N ATOM 1739 CA VAL A 117 -8.158 -18.223 -1.962 1.00 0.00 C ATOM 1740 C VAL A 117 -8.851 -19.533 -1.608 1.00 0.00 C ATOM 1741 O VAL A 117 -8.826 -19.969 -0.457 1.00 0.00 O ATOM 1742 CB VAL A 117 -6.693 -18.285 -1.489 1.00 0.00 C ATOM 1743 CG1 VAL A 117 -6.596 -17.953 -0.008 1.00 0.00 C ATOM 1744 CG2 VAL A 117 -6.099 -19.655 -1.777 1.00 0.00 C ATOM 0 H VAL A 117 -8.953 -17.123 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 117 -8.177 -18.086 -3.043 1.00 0.00 H new ATOM 0 HB VAL A 117 -6.118 -17.542 -2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.554 -18.002 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -6.981 -16.948 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.183 -18.671 0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.064 -19.682 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -6.673 -20.418 -1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -6.133 -19.848 -2.849 1.00 0.00 H new ATOM 1754 N SER A 118 -9.469 -20.158 -2.605 1.00 0.00 N ATOM 1755 CA SER A 118 -10.173 -21.418 -2.398 1.00 0.00 C ATOM 1756 C SER A 118 -9.229 -22.484 -1.852 1.00 0.00 C ATOM 1757 O SER A 118 -8.013 -22.298 -1.825 1.00 0.00 O ATOM 1758 CB SER A 118 -10.799 -21.898 -3.709 1.00 0.00 C ATOM 1759 OG SER A 118 -11.927 -21.113 -4.054 1.00 0.00 O ATOM 0 H SER A 118 -9.496 -19.812 -3.564 1.00 0.00 H new ATOM 0 HA SER A 118 -10.963 -21.248 -1.667 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.059 -21.848 -4.508 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.095 -22.943 -3.613 1.00 0.00 H new ATOM 0 HG SER A 118 -12.307 -21.439 -4.896 1.00 0.00 H new ATOM 1765 N GLY A 119 -9.799 -23.604 -1.416 1.00 0.00 N ATOM 1766 CA GLY A 119 -8.994 -24.684 -0.876 1.00 0.00 C ATOM 1767 C GLY A 119 -9.701 -26.024 -0.944 1.00 0.00 C ATOM 1768 O GLY A 119 -10.847 -26.123 -1.383 1.00 0.00 O ATOM 0 H GLY A 119 -10.803 -23.782 -1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.055 -24.744 -1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.742 -24.462 0.161 1.00 0.00 H new