USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 949 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 115 ASN : amide:sc= -5.05! C(o=-6.7!,f=-9.8!) USER MOD Set 2.2: A 126 TYR OH : rot 180:sc= -1.65! USER MOD Set 3.1: A 43 MET CE :methyl -116:sc= -4.91! (180deg=-9.9!) USER MOD Set 3.2: A 71 SER OG : rot 88:sc= 0 USER MOD Set 3.3: A 76 MET CE :methyl -157:sc= -1.01 (180deg=-1.94) USER MOD Set 4.1: A 47 HIS : no HD1:sc= -3.45 K(o=-9.7,f=-3.6) USER MOD Set 4.2: A 78 ASN : amide:sc= -6.28! C(o=-9.7!,f=-3.6!) USER MOD Single : A 22 HIS : no HD1:sc= -2.77 K(o=-2.8,f=-3.7!) USER MOD Single : A 24 HIS : no HD1:sc= -13.9! C(o=-14!,f=-16!) USER MOD Single : A 27 THR OG1 : rot -90:sc= -0.233! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -0.478 (180deg=-0.894) USER MOD Single : A 49 SER OG : rot -160:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 148:sc= -1.81 (180deg=-3.56!) USER MOD Single : A 64 SER OG : rot 160:sc= 0.824! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00833 USER MOD Single : A 68 SER OG : rot -56:sc= 1.2 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -7.07! C(o=-7.1!,f=-3.2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -51:sc= -5.74! USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.26 X(o=-0.26,f=0.029) USER MOD Single : A 119 ASN : amide:sc= -1.54 K(o=-1.5,f=-5.5!) USER MOD Single : A 121 SER OG : rot 40:sc= 1.21 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 146:sc= -2.23 (180deg=-4.08!) USER MOD Single : A 124 TYR OH : rot -5:sc= -1.68! USER MOD Single : A 128 SER OG : rot 70:sc= 1.16 USER MOD Single : A 131 GLN : amide:sc= -3.82 K(o=-3.8,f=-1.7) USER MOD Single : A 136 MET CE :methyl -163:sc= -5.12! (180deg=-6.47!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= -3.98 K(o=-4,f=-5.7!) USER MOD Single : A 144 THR OG1 : rot -104:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 308 N HIS A 22 -8.410 -0.136 -10.647 1.00 0.00 N ATOM 309 CA HIS A 22 -8.515 -1.107 -9.562 1.00 0.00 C ATOM 310 C HIS A 22 -7.173 -1.798 -9.358 1.00 0.00 C ATOM 311 O HIS A 22 -6.809 -2.697 -10.115 1.00 0.00 O ATOM 312 CB HIS A 22 -9.602 -2.139 -9.867 1.00 0.00 C ATOM 313 CG HIS A 22 -9.338 -2.942 -11.103 1.00 0.00 C ATOM 314 ND1 HIS A 22 -8.872 -4.240 -11.074 1.00 0.00 N ATOM 315 CD2 HIS A 22 -9.476 -2.625 -12.412 1.00 0.00 C ATOM 316 CE1 HIS A 22 -8.736 -4.685 -12.309 1.00 0.00 C ATOM 317 NE2 HIS A 22 -9.096 -3.726 -13.140 1.00 0.00 N ATOM 0 HA HIS A 22 -8.789 -0.583 -8.647 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.697 -2.816 -9.018 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.558 -1.626 -9.974 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.821 -1.682 -12.810 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.389 -5.668 -12.591 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.093 -3.791 -14.158 1.00 0.00 H new ATOM 326 N ILE A 23 -6.427 -1.355 -8.351 1.00 0.00 N ATOM 327 CA ILE A 23 -5.111 -1.914 -8.081 1.00 0.00 C ATOM 328 C ILE A 23 -4.726 -1.772 -6.599 1.00 0.00 C ATOM 329 O ILE A 23 -4.999 -2.665 -5.786 1.00 0.00 O ATOM 330 CB ILE A 23 -4.056 -1.220 -8.968 1.00 0.00 C ATOM 331 CG1 ILE A 23 -4.144 -1.724 -10.408 1.00 0.00 C ATOM 332 CG2 ILE A 23 -2.657 -1.407 -8.416 1.00 0.00 C ATOM 333 CD1 ILE A 23 -4.868 -0.765 -11.327 1.00 0.00 C ATOM 0 H ILE A 23 -6.712 -0.613 -7.712 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.145 -2.978 -8.315 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.271 -0.151 -8.964 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.137 -1.894 -10.790 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.656 -2.686 -10.420 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.940 -0.905 -9.065 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.601 -0.980 -7.415 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.423 -2.471 -8.370 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.898 -1.179 -12.335 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.886 -0.614 -10.967 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.343 0.190 -11.343 1.00 0.00 H new ATOM 345 N HIS A 24 -4.081 -0.653 -6.245 1.00 0.00 N ATOM 346 CA HIS A 24 -3.671 -0.440 -4.867 1.00 0.00 C ATOM 347 C HIS A 24 -4.790 0.200 -4.068 1.00 0.00 C ATOM 348 O HIS A 24 -4.555 0.996 -3.161 1.00 0.00 O ATOM 349 CB HIS A 24 -2.398 0.418 -4.761 1.00 0.00 C ATOM 350 CG HIS A 24 -1.451 0.314 -5.923 1.00 0.00 C ATOM 351 ND1 HIS A 24 -0.866 -0.870 -6.325 1.00 0.00 N ATOM 352 CD2 HIS A 24 -0.946 1.273 -6.736 1.00 0.00 C ATOM 353 CE1 HIS A 24 -0.040 -0.632 -7.330 1.00 0.00 C ATOM 354 NE2 HIS A 24 -0.073 0.660 -7.600 1.00 0.00 N ATOM 0 H HIS A 24 -3.839 0.102 -6.887 1.00 0.00 H new ATOM 0 HA HIS A 24 -3.444 -1.422 -4.452 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.692 1.461 -4.646 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.865 0.136 -3.853 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -1.186 2.326 -6.709 1.00 0.00 H new ATOM 0 HE1 HIS A 24 0.560 -1.369 -7.843 1.00 0.00 H new ATOM 0 HE2 HIS A 24 0.463 1.127 -8.332 1.00 0.00 H new ATOM 363 N TRP A 25 -6.005 -0.154 -4.431 1.00 0.00 N ATOM 364 CA TRP A 25 -7.193 0.367 -3.787 1.00 0.00 C ATOM 365 C TRP A 25 -8.325 -0.634 -3.917 1.00 0.00 C ATOM 366 O TRP A 25 -9.495 -0.297 -3.744 1.00 0.00 O ATOM 367 CB TRP A 25 -7.577 1.679 -4.448 1.00 0.00 C ATOM 368 CG TRP A 25 -7.029 1.792 -5.836 1.00 0.00 C ATOM 369 CD1 TRP A 25 -7.662 1.463 -6.992 1.00 0.00 C ATOM 370 CD2 TRP A 25 -5.719 2.241 -6.211 1.00 0.00 C ATOM 371 NE1 TRP A 25 -6.829 1.679 -8.060 1.00 0.00 N ATOM 372 CE2 TRP A 25 -5.636 2.162 -7.610 1.00 0.00 C ATOM 373 CE3 TRP A 25 -4.612 2.708 -5.506 1.00 0.00 C ATOM 374 CZ2 TRP A 25 -4.494 2.528 -8.315 1.00 0.00 C ATOM 375 CZ3 TRP A 25 -3.481 3.071 -6.202 1.00 0.00 C ATOM 376 CH2 TRP A 25 -3.427 2.982 -7.595 1.00 0.00 C ATOM 0 H TRP A 25 -6.197 -0.814 -5.184 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.997 0.538 -2.728 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -8.663 1.764 -4.480 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -7.210 2.509 -3.845 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.672 1.087 -7.060 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -7.065 1.506 -9.037 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -4.641 2.784 -4.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.453 2.456 -9.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.619 3.432 -5.661 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.526 3.277 -8.111 1.00 0.00 H new ATOM 387 N ARG A 26 -7.957 -1.869 -4.238 1.00 0.00 N ATOM 388 CA ARG A 26 -8.925 -2.936 -4.411 1.00 0.00 C ATOM 389 C ARG A 26 -9.938 -2.928 -3.277 1.00 0.00 C ATOM 390 O ARG A 26 -11.143 -2.993 -3.510 1.00 0.00 O ATOM 391 CB ARG A 26 -8.217 -4.291 -4.476 1.00 0.00 C ATOM 392 CG ARG A 26 -8.567 -5.101 -5.713 1.00 0.00 C ATOM 393 CD ARG A 26 -9.899 -5.813 -5.554 1.00 0.00 C ATOM 394 NE ARG A 26 -9.856 -6.825 -4.503 1.00 0.00 N ATOM 395 CZ ARG A 26 -10.731 -7.823 -4.396 1.00 0.00 C ATOM 396 NH1 ARG A 26 -11.717 -7.946 -5.275 1.00 0.00 N ATOM 397 NH2 ARG A 26 -10.620 -8.700 -3.407 1.00 0.00 N ATOM 0 H ARG A 26 -6.988 -2.153 -4.384 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.454 -2.771 -5.350 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.139 -4.130 -4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.474 -4.869 -3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.607 -4.443 -6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.782 -5.833 -5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.675 -5.083 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.174 -6.283 -6.498 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.111 -6.764 -3.809 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.807 -7.274 -6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.385 -8.712 -5.189 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.864 -8.610 -2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.291 -9.464 -3.325 1.00 0.00 H new ATOM 411 N THR A 27 -9.434 -2.835 -2.045 1.00 0.00 N ATOM 412 CA THR A 27 -10.298 -2.806 -0.858 1.00 0.00 C ATOM 413 C THR A 27 -9.501 -3.055 0.417 1.00 0.00 C ATOM 414 O THR A 27 -8.551 -3.837 0.426 1.00 0.00 O ATOM 415 CB THR A 27 -11.421 -3.847 -0.961 1.00 0.00 C ATOM 416 OG1 THR A 27 -11.086 -4.871 -1.880 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.749 -3.257 -1.391 1.00 0.00 C ATOM 0 H THR A 27 -8.436 -2.779 -1.841 1.00 0.00 H new ATOM 0 HA THR A 27 -10.737 -1.809 -0.813 1.00 0.00 H new ATOM 0 HB THR A 27 -11.528 -4.248 0.047 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.397 -4.622 -2.775 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.498 -4.047 -1.444 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.064 -2.505 -0.667 1.00 0.00 H new ATOM 0 HG23 THR A 27 -12.641 -2.794 -2.372 1.00 0.00 H new ATOM 425 N LEU A 28 -9.909 -2.396 1.496 1.00 0.00 N ATOM 426 CA LEU A 28 -9.249 -2.553 2.785 1.00 0.00 C ATOM 427 C LEU A 28 -9.891 -3.685 3.576 1.00 0.00 C ATOM 428 O LEU A 28 -9.207 -4.590 4.054 1.00 0.00 O ATOM 429 CB LEU A 28 -9.320 -1.250 3.584 1.00 0.00 C ATOM 430 CG LEU A 28 -8.481 -1.228 4.863 1.00 0.00 C ATOM 431 CD1 LEU A 28 -8.126 0.200 5.245 1.00 0.00 C ATOM 432 CD2 LEU A 28 -9.224 -1.918 5.996 1.00 0.00 C ATOM 0 H LEU A 28 -10.696 -1.747 1.502 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.202 -2.799 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.998 -0.430 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.360 -1.059 3.847 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.554 -1.771 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.529 0.195 6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.554 0.661 4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.040 0.770 5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.614 -1.894 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.166 -1.402 6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.425 -2.953 5.722 1.00 0.00 H new ATOM 444 N GLU A 29 -11.212 -3.633 3.701 1.00 0.00 N ATOM 445 CA GLU A 29 -11.953 -4.659 4.424 1.00 0.00 C ATOM 446 C GLU A 29 -12.122 -5.902 3.558 1.00 0.00 C ATOM 447 O GLU A 29 -12.044 -7.029 4.048 1.00 0.00 O ATOM 448 CB GLU A 29 -13.320 -4.124 4.854 1.00 0.00 C ATOM 449 CG GLU A 29 -13.370 -3.678 6.305 1.00 0.00 C ATOM 450 CD GLU A 29 -14.777 -3.349 6.765 1.00 0.00 C ATOM 451 OE1 GLU A 29 -15.524 -4.290 7.107 1.00 0.00 O ATOM 452 OE2 GLU A 29 -15.130 -2.152 6.788 1.00 0.00 O ATOM 0 H GLU A 29 -11.792 -2.890 3.311 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.388 -4.930 5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.589 -3.283 4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.070 -4.898 4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.959 -4.465 6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.735 -2.801 6.434 1.00 0.00 H new ATOM 459 N ASP A 30 -12.347 -5.688 2.266 1.00 0.00 N ATOM 460 CA ASP A 30 -12.520 -6.790 1.329 1.00 0.00 C ATOM 461 C ASP A 30 -11.166 -7.350 0.907 1.00 0.00 C ATOM 462 O ASP A 30 -11.017 -8.556 0.707 1.00 0.00 O ATOM 463 CB ASP A 30 -13.304 -6.327 0.097 1.00 0.00 C ATOM 464 CG ASP A 30 -14.762 -6.738 0.155 1.00 0.00 C ATOM 465 OD1 ASP A 30 -15.556 -6.019 0.799 1.00 0.00 O ATOM 466 OD2 ASP A 30 -15.110 -7.778 -0.441 1.00 0.00 O ATOM 0 H ASP A 30 -12.414 -4.761 1.845 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.084 -7.578 1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.238 -5.242 0.013 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.847 -6.744 -0.800 1.00 0.00 H new ATOM 471 N GLY A 31 -10.177 -6.469 0.781 1.00 0.00 N ATOM 472 CA GLY A 31 -8.849 -6.900 0.392 1.00 0.00 C ATOM 473 C GLY A 31 -8.222 -7.806 1.430 1.00 0.00 C ATOM 474 O GLY A 31 -7.470 -8.721 1.093 1.00 0.00 O ATOM 0 H GLY A 31 -10.273 -5.466 0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.903 -7.424 -0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.214 -6.027 0.241 1.00 0.00 H new ATOM 478 N LYS A 32 -8.534 -7.554 2.697 1.00 0.00 N ATOM 479 CA LYS A 32 -8.001 -8.357 3.791 1.00 0.00 C ATOM 480 C LYS A 32 -8.665 -9.729 3.824 1.00 0.00 C ATOM 481 O LYS A 32 -7.995 -10.750 3.986 1.00 0.00 O ATOM 482 CB LYS A 32 -8.213 -7.641 5.128 1.00 0.00 C ATOM 483 CG LYS A 32 -7.681 -8.417 6.323 1.00 0.00 C ATOM 484 CD LYS A 32 -7.814 -7.617 7.609 1.00 0.00 C ATOM 485 CE LYS A 32 -7.557 -8.482 8.835 1.00 0.00 C ATOM 486 NZ LYS A 32 -8.690 -8.428 9.800 1.00 0.00 N ATOM 0 H LYS A 32 -9.154 -6.799 2.991 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.932 -8.492 3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.725 -6.667 5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.278 -7.459 5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.225 -9.357 6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.634 -8.670 6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.110 -6.785 7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.814 -7.187 7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.394 -9.514 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.644 -8.150 9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.476 -9.030 10.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.830 -7.447 10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.557 -8.769 9.337 1.00 0.00 H new ATOM 500 N LYS A 33 -9.985 -9.746 3.665 1.00 0.00 N ATOM 501 CA LYS A 33 -10.739 -10.994 3.671 1.00 0.00 C ATOM 502 C LYS A 33 -10.244 -11.927 2.571 1.00 0.00 C ATOM 503 O LYS A 33 -10.069 -13.127 2.790 1.00 0.00 O ATOM 504 CB LYS A 33 -12.232 -10.717 3.488 1.00 0.00 C ATOM 505 CG LYS A 33 -13.121 -11.883 3.891 1.00 0.00 C ATOM 506 CD LYS A 33 -14.231 -12.119 2.878 1.00 0.00 C ATOM 507 CE LYS A 33 -14.098 -13.478 2.209 1.00 0.00 C ATOM 508 NZ LYS A 33 -14.756 -13.507 0.875 1.00 0.00 N ATOM 0 H LYS A 33 -10.554 -8.910 3.531 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.586 -11.479 4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.506 -9.842 4.077 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.422 -10.470 2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.517 -12.785 3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -13.557 -11.687 4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -15.199 -12.051 3.375 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.206 -11.336 2.120 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.042 -13.726 2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.540 -14.242 2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.643 -14.451 0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.768 -13.295 0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.317 -12.796 0.256 1.00 0.00 H new ATOM 522 N GLU A 34 -10.015 -11.367 1.389 1.00 0.00 N ATOM 523 CA GLU A 34 -9.535 -12.146 0.254 1.00 0.00 C ATOM 524 C GLU A 34 -8.039 -12.408 0.379 1.00 0.00 C ATOM 525 O GLU A 34 -7.553 -13.481 0.021 1.00 0.00 O ATOM 526 CB GLU A 34 -9.831 -11.416 -1.057 1.00 0.00 C ATOM 527 CG GLU A 34 -9.847 -12.333 -2.269 1.00 0.00 C ATOM 528 CD GLU A 34 -11.131 -12.219 -3.071 1.00 0.00 C ATOM 529 OE1 GLU A 34 -12.163 -12.756 -2.617 1.00 0.00 O ATOM 530 OE2 GLU A 34 -11.101 -11.591 -4.150 1.00 0.00 O ATOM 0 H GLU A 34 -10.154 -10.376 1.192 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.058 -13.102 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.796 -10.917 -0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.082 -10.639 -1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.999 -12.095 -2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.718 -13.365 -1.941 1.00 0.00 H new ATOM 537 N ALA A 35 -7.313 -11.421 0.896 1.00 0.00 N ATOM 538 CA ALA A 35 -5.872 -11.543 1.078 1.00 0.00 C ATOM 539 C ALA A 35 -5.538 -12.742 1.958 1.00 0.00 C ATOM 540 O ALA A 35 -4.469 -13.341 1.830 1.00 0.00 O ATOM 541 CB ALA A 35 -5.308 -10.267 1.684 1.00 0.00 C ATOM 0 H ALA A 35 -7.701 -10.527 1.196 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.414 -11.699 0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.231 -10.371 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.513 -9.427 1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.775 -10.087 2.652 1.00 0.00 H new ATOM 547 N ALA A 36 -6.461 -13.087 2.851 1.00 0.00 N ATOM 548 CA ALA A 36 -6.273 -14.213 3.754 1.00 0.00 C ATOM 549 C ALA A 36 -6.307 -15.535 2.996 1.00 0.00 C ATOM 550 O ALA A 36 -5.551 -16.457 3.302 1.00 0.00 O ATOM 551 CB ALA A 36 -7.339 -14.197 4.839 1.00 0.00 C ATOM 0 H ALA A 36 -7.349 -12.599 2.967 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.292 -14.117 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.189 -15.044 5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.267 -13.269 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.326 -14.267 4.381 1.00 0.00 H new ATOM 557 N ALA A 37 -7.187 -15.622 2.002 1.00 0.00 N ATOM 558 CA ALA A 37 -7.315 -16.832 1.196 1.00 0.00 C ATOM 559 C ALA A 37 -5.964 -17.247 0.621 1.00 0.00 C ATOM 560 O ALA A 37 -5.332 -18.184 1.110 1.00 0.00 O ATOM 561 CB ALA A 37 -8.326 -16.617 0.079 1.00 0.00 C ATOM 0 H ALA A 37 -7.822 -14.869 1.736 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.671 -17.637 1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.412 -17.527 -0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.297 -16.372 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.995 -15.798 -0.559 1.00 0.00 H new ATOM 567 N SER A 38 -5.522 -16.538 -0.411 1.00 0.00 N ATOM 568 CA SER A 38 -4.240 -16.826 -1.043 1.00 0.00 C ATOM 569 C SER A 38 -3.089 -16.443 -0.117 1.00 0.00 C ATOM 570 O SER A 38 -1.999 -17.010 -0.196 1.00 0.00 O ATOM 571 CB SER A 38 -4.118 -16.075 -2.370 1.00 0.00 C ATOM 572 OG SER A 38 -3.477 -16.872 -3.350 1.00 0.00 O ATOM 0 H SER A 38 -6.032 -15.760 -0.828 1.00 0.00 H new ATOM 0 HA SER A 38 -4.188 -17.897 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.109 -15.788 -2.721 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.554 -15.154 -2.220 1.00 0.00 H new ATOM 0 HG SER A 38 -3.413 -16.370 -4.189 1.00 0.00 H new ATOM 578 N GLY A 39 -3.343 -15.479 0.764 1.00 0.00 N ATOM 579 CA GLY A 39 -2.327 -15.034 1.698 1.00 0.00 C ATOM 580 C GLY A 39 -1.466 -13.918 1.139 1.00 0.00 C ATOM 581 O GLY A 39 -0.334 -13.723 1.580 1.00 0.00 O ATOM 0 H GLY A 39 -4.238 -14.997 0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.807 -14.692 2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.691 -15.878 1.966 1.00 0.00 H new ATOM 585 N LEU A 40 -2.003 -13.179 0.172 1.00 0.00 N ATOM 586 CA LEU A 40 -1.264 -12.076 -0.430 1.00 0.00 C ATOM 587 C LEU A 40 -1.292 -10.849 0.488 1.00 0.00 C ATOM 588 O LEU A 40 -2.300 -10.578 1.138 1.00 0.00 O ATOM 589 CB LEU A 40 -1.821 -11.745 -1.817 1.00 0.00 C ATOM 590 CG LEU A 40 -3.313 -11.408 -1.874 1.00 0.00 C ATOM 591 CD1 LEU A 40 -3.557 -9.981 -1.412 1.00 0.00 C ATOM 592 CD2 LEU A 40 -3.856 -11.616 -3.282 1.00 0.00 C ATOM 0 H LEU A 40 -2.939 -13.323 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.225 -12.380 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.262 -10.901 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.634 -12.594 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.842 -12.081 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.623 -9.760 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.208 -9.866 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.015 -9.291 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.918 -11.371 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.321 -10.969 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.718 -12.657 -3.575 1.00 0.00 H new ATOM 604 N PRO A 41 -0.167 -10.113 0.575 1.00 0.00 N ATOM 605 CA PRO A 41 -0.036 -8.929 1.448 1.00 0.00 C ATOM 606 C PRO A 41 -0.899 -7.736 1.037 1.00 0.00 C ATOM 607 O PRO A 41 -1.608 -7.776 0.031 1.00 0.00 O ATOM 608 CB PRO A 41 1.446 -8.567 1.325 1.00 0.00 C ATOM 609 CG PRO A 41 1.855 -9.118 0.005 1.00 0.00 C ATOM 610 CD PRO A 41 1.086 -10.395 -0.150 1.00 0.00 C ATOM 0 HA PRO A 41 -0.374 -9.160 2.458 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.596 -7.488 1.369 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.030 -9.003 2.135 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.624 -8.420 -0.800 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.929 -9.300 -0.029 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.902 -10.632 -1.198 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.620 -11.243 0.279 1.00 0.00 H new ATOM 618 N LEU A 42 -0.820 -6.670 1.842 1.00 0.00 N ATOM 619 CA LEU A 42 -1.576 -5.448 1.596 1.00 0.00 C ATOM 620 C LEU A 42 -0.634 -4.252 1.463 1.00 0.00 C ATOM 621 O LEU A 42 0.149 -3.967 2.367 1.00 0.00 O ATOM 622 CB LEU A 42 -2.565 -5.204 2.736 1.00 0.00 C ATOM 623 CG LEU A 42 -3.991 -5.692 2.474 1.00 0.00 C ATOM 624 CD1 LEU A 42 -4.666 -4.818 1.427 1.00 0.00 C ATOM 625 CD2 LEU A 42 -3.988 -7.150 2.037 1.00 0.00 C ATOM 0 H LEU A 42 -0.233 -6.635 2.675 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.127 -5.565 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.189 -5.695 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.596 -4.135 2.946 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.557 -5.617 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.680 -5.178 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.703 -3.788 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.099 -4.861 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.012 -7.478 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.406 -7.254 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.544 -7.764 2.821 1.00 0.00 H new ATOM 637 N MET A 43 -0.703 -3.567 0.327 1.00 0.00 N ATOM 638 CA MET A 43 0.165 -2.410 0.081 1.00 0.00 C ATOM 639 C MET A 43 -0.581 -1.081 0.226 1.00 0.00 C ATOM 640 O MET A 43 -1.014 -0.496 -0.762 1.00 0.00 O ATOM 641 CB MET A 43 0.769 -2.503 -1.320 1.00 0.00 C ATOM 642 CG MET A 43 1.671 -1.332 -1.679 1.00 0.00 C ATOM 643 SD MET A 43 1.511 -0.831 -3.404 1.00 0.00 S ATOM 644 CE MET A 43 1.701 -2.402 -4.242 1.00 0.00 C ATOM 0 H MET A 43 -1.344 -3.786 -0.436 1.00 0.00 H new ATOM 0 HA MET A 43 0.952 -2.431 0.834 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.341 -3.427 -1.398 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.038 -2.565 -2.050 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.433 -0.485 -1.036 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.708 -1.603 -1.479 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.602 -2.381 -4.855 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.783 -3.200 -3.504 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.834 -2.583 -4.877 1.00 0.00 H new ATOM 654 N VAL A 44 -0.714 -0.590 1.450 1.00 0.00 N ATOM 655 CA VAL A 44 -1.400 0.681 1.675 1.00 0.00 C ATOM 656 C VAL A 44 -0.881 1.765 0.734 1.00 0.00 C ATOM 657 O VAL A 44 0.264 1.723 0.284 1.00 0.00 O ATOM 658 CB VAL A 44 -1.263 1.153 3.140 1.00 0.00 C ATOM 659 CG1 VAL A 44 -1.380 2.668 3.259 1.00 0.00 C ATOM 660 CG2 VAL A 44 -2.311 0.474 3.999 1.00 0.00 C ATOM 0 H VAL A 44 -0.363 -1.042 2.294 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.456 0.509 1.466 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.270 0.874 3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.278 2.960 4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.593 3.141 2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.353 2.988 2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.210 0.811 5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.305 0.729 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.174 -0.606 3.955 1.00 0.00 H new ATOM 670 N ILE A 45 -1.741 2.733 0.455 1.00 0.00 N ATOM 671 CA ILE A 45 -1.408 3.848 -0.418 1.00 0.00 C ATOM 672 C ILE A 45 -2.310 5.029 -0.098 1.00 0.00 C ATOM 673 O ILE A 45 -3.509 4.864 0.107 1.00 0.00 O ATOM 674 CB ILE A 45 -1.555 3.469 -1.912 1.00 0.00 C ATOM 675 CG1 ILE A 45 -0.578 2.337 -2.257 1.00 0.00 C ATOM 676 CG2 ILE A 45 -1.330 4.688 -2.807 1.00 0.00 C ATOM 677 CD1 ILE A 45 -0.285 2.194 -3.737 1.00 0.00 C ATOM 0 H ILE A 45 -2.690 2.767 0.828 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.366 4.114 -0.243 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.571 3.117 -2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.360 2.509 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.985 1.396 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.438 4.397 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.064 5.457 -2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.327 5.080 -2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.413 1.372 -3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.212 1.989 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.154 3.118 -4.112 1.00 0.00 H new ATOM 689 N ILE A 46 -1.736 6.219 -0.030 1.00 0.00 N ATOM 690 CA ILE A 46 -2.515 7.402 0.289 1.00 0.00 C ATOM 691 C ILE A 46 -2.091 8.576 -0.577 1.00 0.00 C ATOM 692 O ILE A 46 -0.904 8.772 -0.837 1.00 0.00 O ATOM 693 CB ILE A 46 -2.377 7.770 1.775 1.00 0.00 C ATOM 694 CG1 ILE A 46 -2.420 6.506 2.639 1.00 0.00 C ATOM 695 CG2 ILE A 46 -3.475 8.738 2.187 1.00 0.00 C ATOM 696 CD1 ILE A 46 -1.800 6.685 4.005 1.00 0.00 C ATOM 0 H ILE A 46 -0.743 6.390 -0.190 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.561 7.174 0.084 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.415 8.260 1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.457 6.193 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.902 5.701 2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.363 8.988 3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.402 9.646 1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.448 8.274 2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.867 5.749 4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.753 6.968 3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.332 7.467 4.547 1.00 0.00 H new ATOM 708 N HIS A 47 -3.068 9.348 -1.039 1.00 0.00 N ATOM 709 CA HIS A 47 -2.782 10.495 -1.895 1.00 0.00 C ATOM 710 C HIS A 47 -3.306 11.790 -1.294 1.00 0.00 C ATOM 711 O HIS A 47 -4.467 12.147 -1.488 1.00 0.00 O ATOM 712 CB HIS A 47 -3.401 10.285 -3.279 1.00 0.00 C ATOM 713 CG HIS A 47 -4.866 9.984 -3.237 1.00 0.00 C ATOM 714 ND1 HIS A 47 -5.825 10.841 -3.736 1.00 0.00 N ATOM 715 CD2 HIS A 47 -5.538 8.914 -2.748 1.00 0.00 C ATOM 716 CE1 HIS A 47 -7.023 10.311 -3.556 1.00 0.00 C ATOM 717 NE2 HIS A 47 -6.876 9.142 -2.961 1.00 0.00 N ATOM 0 H HIS A 47 -4.057 9.203 -0.838 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.699 10.577 -1.984 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.239 11.179 -3.881 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.884 9.466 -3.779 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.103 8.044 -2.278 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -7.962 10.759 -3.846 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -7.633 8.510 -2.701 1.00 0.00 H new ATOM 726 N LYS A 48 -2.446 12.501 -0.568 1.00 0.00 N ATOM 727 CA LYS A 48 -2.853 13.767 0.044 1.00 0.00 C ATOM 728 C LYS A 48 -2.067 14.940 -0.537 1.00 0.00 C ATOM 729 O LYS A 48 -0.891 14.806 -0.877 1.00 0.00 O ATOM 730 CB LYS A 48 -2.671 13.714 1.559 1.00 0.00 C ATOM 731 CG LYS A 48 -3.982 13.742 2.326 1.00 0.00 C ATOM 732 CD LYS A 48 -4.381 15.163 2.691 1.00 0.00 C ATOM 733 CE LYS A 48 -5.233 15.800 1.604 1.00 0.00 C ATOM 734 NZ LYS A 48 -4.844 17.217 1.354 1.00 0.00 N ATOM 0 H LYS A 48 -1.479 12.230 -0.390 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.909 13.919 -0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.125 12.807 1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.057 14.558 1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.767 13.285 1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.888 13.145 3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.933 15.157 3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.486 15.764 2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.133 15.228 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.283 15.757 1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.243 17.532 0.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.210 17.818 2.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.807 17.292 1.320 1.00 0.00 H new ATOM 748 N SER A 49 -2.729 16.090 -0.650 1.00 0.00 N ATOM 749 CA SER A 49 -2.097 17.292 -1.189 1.00 0.00 C ATOM 750 C SER A 49 -1.498 17.017 -2.565 1.00 0.00 C ATOM 751 O SER A 49 -1.709 15.949 -3.137 1.00 0.00 O ATOM 752 CB SER A 49 -1.012 17.793 -0.234 1.00 0.00 C ATOM 753 OG SER A 49 -1.478 18.885 0.542 1.00 0.00 O ATOM 0 H SER A 49 -3.703 16.214 -0.375 1.00 0.00 H new ATOM 0 HA SER A 49 -2.861 18.063 -1.293 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.700 16.982 0.424 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.134 18.097 -0.804 1.00 0.00 H new ATOM 0 HG SER A 49 -0.713 19.383 0.898 1.00 0.00 H new ATOM 759 N TRP A 50 -0.746 17.982 -3.088 1.00 0.00 N ATOM 760 CA TRP A 50 -0.111 17.831 -4.395 1.00 0.00 C ATOM 761 C TRP A 50 0.788 16.601 -4.406 1.00 0.00 C ATOM 762 O TRP A 50 1.983 16.688 -4.122 1.00 0.00 O ATOM 763 CB TRP A 50 0.699 19.081 -4.744 1.00 0.00 C ATOM 764 CG TRP A 50 1.776 19.391 -3.748 1.00 0.00 C ATOM 765 CD1 TRP A 50 1.616 19.961 -2.518 1.00 0.00 C ATOM 766 CD2 TRP A 50 3.178 19.149 -3.901 1.00 0.00 C ATOM 767 NE1 TRP A 50 2.835 20.087 -1.895 1.00 0.00 N ATOM 768 CE2 TRP A 50 3.808 19.595 -2.724 1.00 0.00 C ATOM 769 CE3 TRP A 50 3.962 18.596 -4.918 1.00 0.00 C ATOM 770 CZ2 TRP A 50 5.186 19.507 -2.538 1.00 0.00 C ATOM 771 CZ3 TRP A 50 5.329 18.508 -4.731 1.00 0.00 C ATOM 772 CH2 TRP A 50 5.929 18.962 -3.550 1.00 0.00 C ATOM 0 H TRP A 50 -0.562 18.874 -2.629 1.00 0.00 H new ATOM 0 HA TRP A 50 -0.891 17.702 -5.146 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.151 18.949 -5.727 1.00 0.00 H new ATOM 0 HB3 TRP A 50 0.024 19.934 -4.815 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.670 20.268 -2.096 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.990 20.482 -0.967 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.508 18.244 -5.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 5.651 19.856 -1.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 5.945 18.082 -5.509 1.00 0.00 H new ATOM 0 HH2 TRP A 50 7.000 18.880 -3.435 1.00 0.00 H new ATOM 783 N CYS A 51 0.199 15.451 -4.717 1.00 0.00 N ATOM 784 CA CYS A 51 0.936 14.196 -4.745 1.00 0.00 C ATOM 785 C CYS A 51 1.432 13.865 -6.151 1.00 0.00 C ATOM 786 O CYS A 51 0.642 13.499 -7.024 1.00 0.00 O ATOM 787 CB CYS A 51 0.048 13.058 -4.239 1.00 0.00 C ATOM 788 SG CYS A 51 -1.533 12.896 -5.138 1.00 0.00 S ATOM 0 H CYS A 51 -0.789 15.364 -4.954 1.00 0.00 H new ATOM 0 HA CYS A 51 1.804 14.308 -4.095 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.597 12.120 -4.318 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.162 13.217 -3.181 1.00 0.00 H new ATOM 793 N GLY A 52 2.741 13.973 -6.364 1.00 0.00 N ATOM 794 CA GLY A 52 3.300 13.655 -7.665 1.00 0.00 C ATOM 795 C GLY A 52 3.084 12.199 -8.021 1.00 0.00 C ATOM 796 O GLY A 52 3.020 11.838 -9.196 1.00 0.00 O ATOM 0 H GLY A 52 3.420 14.273 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.841 14.288 -8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.367 13.877 -7.668 1.00 0.00 H new ATOM 800 N ALA A 53 2.952 11.363 -6.993 1.00 0.00 N ATOM 801 CA ALA A 53 2.719 9.939 -7.184 1.00 0.00 C ATOM 802 C ALA A 53 1.385 9.698 -7.873 1.00 0.00 C ATOM 803 O ALA A 53 1.118 8.605 -8.363 1.00 0.00 O ATOM 804 CB ALA A 53 2.774 9.207 -5.851 1.00 0.00 C ATOM 0 H ALA A 53 3.003 11.652 -6.016 1.00 0.00 H new ATOM 0 HA ALA A 53 3.508 9.547 -7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.598 8.144 -6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.756 9.348 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.008 9.605 -5.186 1.00 0.00 H new ATOM 810 N CYS A 54 0.548 10.724 -7.909 1.00 0.00 N ATOM 811 CA CYS A 54 -0.751 10.615 -8.546 1.00 0.00 C ATOM 812 C CYS A 54 -0.750 11.350 -9.885 1.00 0.00 C ATOM 813 O CYS A 54 -1.525 11.024 -10.786 1.00 0.00 O ATOM 814 CB CYS A 54 -1.846 11.182 -7.633 1.00 0.00 C ATOM 815 SG CYS A 54 -1.507 10.993 -5.848 1.00 0.00 S ATOM 0 H CYS A 54 0.747 11.639 -7.505 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.959 9.560 -8.725 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.977 12.241 -7.856 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.789 10.688 -7.866 1.00 0.00 H new ATOM 820 N LYS A 55 0.129 12.342 -10.006 1.00 0.00 N ATOM 821 CA LYS A 55 0.237 13.130 -11.229 1.00 0.00 C ATOM 822 C LYS A 55 0.862 12.321 -12.364 1.00 0.00 C ATOM 823 O LYS A 55 0.311 12.257 -13.462 1.00 0.00 O ATOM 824 CB LYS A 55 1.063 14.393 -10.969 1.00 0.00 C ATOM 825 CG LYS A 55 0.231 15.666 -10.941 1.00 0.00 C ATOM 826 CD LYS A 55 1.059 16.861 -10.497 1.00 0.00 C ATOM 827 CE LYS A 55 0.197 17.918 -9.826 1.00 0.00 C ATOM 828 NZ LYS A 55 -0.128 19.039 -10.751 1.00 0.00 N ATOM 0 H LYS A 55 0.778 12.619 -9.269 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.771 13.412 -11.534 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.584 14.288 -10.017 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.826 14.484 -11.742 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.181 15.855 -11.932 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.614 15.535 -10.265 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.835 16.531 -9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.564 17.296 -11.360 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.727 17.461 -9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.717 18.308 -8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.717 19.738 -10.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.752 19.492 -11.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.646 18.671 -11.574 1.00 0.00 H new ATOM 842 N ALA A 56 2.014 11.707 -12.102 1.00 0.00 N ATOM 843 CA ALA A 56 2.694 10.915 -13.122 1.00 0.00 C ATOM 844 C ALA A 56 1.971 9.598 -13.363 1.00 0.00 C ATOM 845 O ALA A 56 1.872 9.132 -14.497 1.00 0.00 O ATOM 846 CB ALA A 56 4.139 10.660 -12.720 1.00 0.00 C ATOM 0 H ALA A 56 2.491 11.742 -11.201 1.00 0.00 H new ATOM 0 HA ALA A 56 2.684 11.482 -14.053 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.632 10.068 -13.491 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.658 11.612 -12.605 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.163 10.117 -11.775 1.00 0.00 H new ATOM 852 N LEU A 57 1.470 9.002 -12.292 1.00 0.00 N ATOM 853 CA LEU A 57 0.758 7.738 -12.388 1.00 0.00 C ATOM 854 C LEU A 57 -0.483 7.873 -13.267 1.00 0.00 C ATOM 855 O LEU A 57 -0.932 6.913 -13.880 1.00 0.00 O ATOM 856 CB LEU A 57 0.371 7.240 -10.991 1.00 0.00 C ATOM 857 CG LEU A 57 1.521 6.647 -10.162 1.00 0.00 C ATOM 858 CD1 LEU A 57 1.836 5.233 -10.613 1.00 0.00 C ATOM 859 CD2 LEU A 57 2.765 7.521 -10.252 1.00 0.00 C ATOM 0 H LEU A 57 1.544 9.374 -11.345 1.00 0.00 H new ATOM 0 HA LEU A 57 1.422 7.008 -12.851 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.065 8.070 -10.435 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.407 6.484 -11.096 1.00 0.00 H new ATOM 0 HG LEU A 57 1.200 6.615 -9.121 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.653 4.833 -10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.953 4.606 -10.488 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.128 5.243 -11.663 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.564 7.079 -9.657 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.085 7.593 -11.292 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.538 8.517 -9.872 1.00 0.00 H new ATOM 871 N LYS A 58 -1.049 9.067 -13.333 1.00 0.00 N ATOM 872 CA LYS A 58 -2.240 9.284 -14.144 1.00 0.00 C ATOM 873 C LYS A 58 -2.066 8.742 -15.574 1.00 0.00 C ATOM 874 O LYS A 58 -2.713 7.763 -15.956 1.00 0.00 O ATOM 875 CB LYS A 58 -2.600 10.772 -14.179 1.00 0.00 C ATOM 876 CG LYS A 58 -3.691 11.158 -13.196 1.00 0.00 C ATOM 877 CD LYS A 58 -4.285 12.517 -13.530 1.00 0.00 C ATOM 878 CE LYS A 58 -3.283 13.636 -13.295 1.00 0.00 C ATOM 879 NZ LYS A 58 -3.686 14.896 -13.977 1.00 0.00 N ATOM 0 H LYS A 58 -0.709 9.894 -12.841 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.057 8.731 -13.680 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.706 11.358 -13.965 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.921 11.036 -15.187 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.477 10.403 -13.208 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.282 11.176 -12.186 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.607 12.528 -14.571 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.172 12.687 -12.920 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.187 13.818 -12.225 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.302 13.326 -13.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.976 15.633 -13.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.753 14.730 -15.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.610 15.206 -13.615 1.00 0.00 H new ATOM 893 N PRO A 59 -1.200 9.375 -16.387 1.00 0.00 N ATOM 894 CA PRO A 59 -0.968 8.961 -17.782 1.00 0.00 C ATOM 895 C PRO A 59 -0.130 7.694 -17.935 1.00 0.00 C ATOM 896 O PRO A 59 -0.221 7.012 -18.955 1.00 0.00 O ATOM 897 CB PRO A 59 -0.222 10.154 -18.373 1.00 0.00 C ATOM 898 CG PRO A 59 0.511 10.737 -17.217 1.00 0.00 C ATOM 899 CD PRO A 59 -0.386 10.552 -16.025 1.00 0.00 C ATOM 0 HA PRO A 59 -1.909 8.712 -18.273 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.462 9.844 -19.163 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.910 10.876 -18.813 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.467 10.236 -17.068 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.727 11.792 -17.383 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.187 10.379 -15.114 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.007 11.431 -15.849 1.00 0.00 H new ATOM 907 N LYS A 60 0.692 7.379 -16.940 1.00 0.00 N ATOM 908 CA LYS A 60 1.536 6.188 -17.021 1.00 0.00 C ATOM 909 C LYS A 60 0.885 5.009 -16.313 1.00 0.00 C ATOM 910 O LYS A 60 0.767 3.927 -16.886 1.00 0.00 O ATOM 911 CB LYS A 60 2.920 6.459 -16.435 1.00 0.00 C ATOM 912 CG LYS A 60 2.924 6.530 -14.924 1.00 0.00 C ATOM 913 CD LYS A 60 4.076 7.375 -14.395 1.00 0.00 C ATOM 914 CE LYS A 60 5.405 7.011 -15.050 1.00 0.00 C ATOM 915 NZ LYS A 60 5.719 5.560 -14.929 1.00 0.00 N ATOM 0 H LYS A 60 0.793 7.920 -16.081 1.00 0.00 H new ATOM 0 HA LYS A 60 1.651 5.935 -18.075 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.604 5.674 -16.757 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.300 7.398 -16.837 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.979 6.949 -14.578 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.995 5.523 -14.514 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.862 8.429 -14.572 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.156 7.243 -13.316 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.375 7.287 -16.104 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.205 7.593 -14.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.257 5.251 -15.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.285 5.398 -14.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.834 5.017 -14.867 1.00 0.00 H new ATOM 929 N PHE A 61 0.440 5.216 -15.074 1.00 0.00 N ATOM 930 CA PHE A 61 -0.216 4.151 -14.338 1.00 0.00 C ATOM 931 C PHE A 61 -1.460 3.732 -15.086 1.00 0.00 C ATOM 932 O PHE A 61 -1.937 2.612 -14.927 1.00 0.00 O ATOM 933 CB PHE A 61 -0.549 4.563 -12.909 1.00 0.00 C ATOM 934 CG PHE A 61 -1.057 3.421 -12.078 1.00 0.00 C ATOM 935 CD1 PHE A 61 -0.179 2.614 -11.373 1.00 0.00 C ATOM 936 CD2 PHE A 61 -2.412 3.148 -12.012 1.00 0.00 C ATOM 937 CE1 PHE A 61 -0.645 1.556 -10.617 1.00 0.00 C ATOM 938 CE2 PHE A 61 -2.885 2.093 -11.256 1.00 0.00 C ATOM 939 CZ PHE A 61 -2.000 1.296 -10.559 1.00 0.00 C ATOM 0 H PHE A 61 0.523 6.099 -14.570 1.00 0.00 H new ATOM 0 HA PHE A 61 0.469 3.307 -14.263 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.342 4.980 -12.439 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.299 5.354 -12.929 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.881 2.814 -11.415 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.108 3.767 -12.558 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.049 0.933 -10.072 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.945 1.892 -11.211 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.367 0.469 -9.969 1.00 0.00 H new ATOM 949 N ALA A 62 -1.954 4.609 -15.965 1.00 0.00 N ATOM 950 CA ALA A 62 -3.092 4.262 -16.791 1.00 0.00 C ATOM 951 C ALA A 62 -2.729 2.996 -17.578 1.00 0.00 C ATOM 952 O ALA A 62 -3.591 2.238 -18.023 1.00 0.00 O ATOM 953 CB ALA A 62 -3.447 5.414 -17.720 1.00 0.00 C ATOM 0 H ALA A 62 -1.584 5.548 -16.115 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.971 4.071 -16.175 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.304 5.136 -18.333 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.695 6.295 -17.128 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.597 5.637 -18.365 1.00 0.00 H new ATOM 959 N GLU A 63 -1.412 2.781 -17.691 1.00 0.00 N ATOM 960 CA GLU A 63 -0.824 1.624 -18.355 1.00 0.00 C ATOM 961 C GLU A 63 -1.009 0.377 -17.506 1.00 0.00 C ATOM 962 O GLU A 63 -0.810 -0.744 -17.977 1.00 0.00 O ATOM 963 CB GLU A 63 0.665 1.884 -18.599 1.00 0.00 C ATOM 964 CG GLU A 63 1.294 0.936 -19.608 1.00 0.00 C ATOM 965 CD GLU A 63 1.275 1.491 -21.019 1.00 0.00 C ATOM 966 OE1 GLU A 63 2.069 2.414 -21.305 1.00 0.00 O ATOM 967 OE2 GLU A 63 0.469 1.004 -21.838 1.00 0.00 O ATOM 0 H GLU A 63 -0.716 3.424 -17.313 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.324 1.464 -19.310 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.793 2.909 -18.948 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.199 1.800 -17.653 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.324 0.731 -19.316 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.762 -0.015 -19.588 1.00 0.00 H new ATOM 974 N SER A 64 -1.393 0.584 -16.251 1.00 0.00 N ATOM 975 CA SER A 64 -1.618 -0.499 -15.312 1.00 0.00 C ATOM 976 C SER A 64 -2.614 -1.526 -15.844 1.00 0.00 C ATOM 977 O SER A 64 -2.947 -2.477 -15.142 1.00 0.00 O ATOM 978 CB SER A 64 -2.127 0.061 -13.993 1.00 0.00 C ATOM 979 OG SER A 64 -1.079 0.656 -13.246 1.00 0.00 O ATOM 0 H SER A 64 -1.556 1.512 -15.859 1.00 0.00 H new ATOM 0 HA SER A 64 -0.664 -1.005 -15.165 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.904 0.801 -14.185 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.584 -0.738 -13.409 1.00 0.00 H new ATOM 0 HG SER A 64 -1.458 1.267 -12.580 1.00 0.00 H new ATOM 985 N THR A 65 -3.081 -1.357 -17.083 1.00 0.00 N ATOM 986 CA THR A 65 -4.010 -2.316 -17.669 1.00 0.00 C ATOM 987 C THR A 65 -3.487 -3.721 -17.411 1.00 0.00 C ATOM 988 O THR A 65 -4.249 -4.641 -17.111 1.00 0.00 O ATOM 989 CB THR A 65 -4.162 -2.073 -19.169 1.00 0.00 C ATOM 990 OG1 THR A 65 -2.968 -1.540 -19.716 1.00 0.00 O ATOM 991 CG2 THR A 65 -5.287 -1.120 -19.509 1.00 0.00 C ATOM 0 H THR A 65 -2.834 -0.575 -17.690 1.00 0.00 H new ATOM 0 HA THR A 65 -4.992 -2.197 -17.211 1.00 0.00 H new ATOM 0 HB THR A 65 -4.391 -3.049 -19.597 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.086 -1.393 -20.678 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.340 -0.991 -20.590 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.231 -1.526 -19.145 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.101 -0.155 -19.037 1.00 0.00 H new ATOM 999 N GLU A 66 -2.165 -3.858 -17.481 1.00 0.00 N ATOM 1000 CA GLU A 66 -1.518 -5.129 -17.208 1.00 0.00 C ATOM 1001 C GLU A 66 -1.424 -5.320 -15.708 1.00 0.00 C ATOM 1002 O GLU A 66 -1.512 -6.440 -15.207 1.00 0.00 O ATOM 1003 CB GLU A 66 -0.125 -5.193 -17.837 1.00 0.00 C ATOM 1004 CG GLU A 66 0.805 -4.098 -17.352 1.00 0.00 C ATOM 1005 CD GLU A 66 1.106 -3.067 -18.422 1.00 0.00 C ATOM 1006 OE1 GLU A 66 1.062 -3.422 -19.618 1.00 0.00 O ATOM 1007 OE2 GLU A 66 1.388 -1.903 -18.064 1.00 0.00 O ATOM 0 H GLU A 66 -1.525 -3.102 -17.725 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.113 -5.928 -17.650 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.321 -6.163 -17.616 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.220 -5.125 -18.921 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.357 -3.602 -16.491 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.739 -4.545 -17.012 1.00 0.00 H new ATOM 1014 N ILE A 67 -1.281 -4.210 -14.986 1.00 0.00 N ATOM 1015 CA ILE A 67 -1.219 -4.268 -13.537 1.00 0.00 C ATOM 1016 C ILE A 67 -2.589 -4.636 -12.975 1.00 0.00 C ATOM 1017 O ILE A 67 -2.713 -5.010 -11.809 1.00 0.00 O ATOM 1018 CB ILE A 67 -0.735 -2.934 -12.927 1.00 0.00 C ATOM 1019 CG1 ILE A 67 0.649 -2.574 -13.471 1.00 0.00 C ATOM 1020 CG2 ILE A 67 -0.705 -3.018 -11.407 1.00 0.00 C ATOM 1021 CD1 ILE A 67 1.259 -1.345 -12.824 1.00 0.00 C ATOM 0 H ILE A 67 -1.207 -3.272 -15.380 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.493 -5.034 -13.265 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.436 -2.149 -13.211 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.319 -3.421 -13.324 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.575 -2.409 -14.546 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.361 -2.068 -10.997 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.707 -3.233 -11.035 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.025 -3.813 -11.100 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.239 -1.152 -13.261 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.611 -0.485 -12.993 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.366 -1.513 -11.752 1.00 0.00 H new ATOM 1033 N SER A 68 -3.618 -4.545 -13.821 1.00 0.00 N ATOM 1034 CA SER A 68 -4.972 -4.888 -13.409 1.00 0.00 C ATOM 1035 C SER A 68 -5.069 -6.384 -13.145 1.00 0.00 C ATOM 1036 O SER A 68 -5.795 -6.824 -12.254 1.00 0.00 O ATOM 1037 CB SER A 68 -5.980 -4.476 -14.483 1.00 0.00 C ATOM 1038 OG SER A 68 -6.022 -5.425 -15.534 1.00 0.00 O ATOM 0 H SER A 68 -3.535 -4.238 -14.790 1.00 0.00 H new ATOM 0 HA SER A 68 -5.206 -4.348 -12.492 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.970 -4.377 -14.038 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.711 -3.498 -14.882 1.00 0.00 H new ATOM 0 HG SER A 68 -5.124 -5.537 -15.910 1.00 0.00 H new ATOM 1044 N GLU A 69 -4.316 -7.158 -13.922 1.00 0.00 N ATOM 1045 CA GLU A 69 -4.301 -8.605 -13.771 1.00 0.00 C ATOM 1046 C GLU A 69 -3.129 -9.030 -12.897 1.00 0.00 C ATOM 1047 O GLU A 69 -3.233 -9.969 -12.107 1.00 0.00 O ATOM 1048 CB GLU A 69 -4.216 -9.288 -15.137 1.00 0.00 C ATOM 1049 CG GLU A 69 -5.318 -8.869 -16.096 1.00 0.00 C ATOM 1050 CD GLU A 69 -6.703 -9.045 -15.505 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -7.100 -8.212 -14.663 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -7.392 -10.016 -15.885 1.00 0.00 O ATOM 0 H GLU A 69 -3.709 -6.805 -14.662 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.230 -8.911 -13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.249 -9.063 -15.587 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.259 -10.368 -14.997 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.175 -7.825 -16.373 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.240 -9.456 -17.011 1.00 0.00 H new ATOM 1059 N LEU A 70 -2.018 -8.315 -13.033 1.00 0.00 N ATOM 1060 CA LEU A 70 -0.822 -8.587 -12.248 1.00 0.00 C ATOM 1061 C LEU A 70 -1.154 -8.587 -10.765 1.00 0.00 C ATOM 1062 O LEU A 70 -0.686 -9.431 -10.005 1.00 0.00 O ATOM 1063 CB LEU A 70 0.228 -7.519 -12.532 1.00 0.00 C ATOM 1064 CG LEU A 70 1.562 -8.028 -13.061 1.00 0.00 C ATOM 1065 CD1 LEU A 70 2.225 -6.937 -13.875 1.00 0.00 C ATOM 1066 CD2 LEU A 70 2.464 -8.471 -11.916 1.00 0.00 C ATOM 0 H LEU A 70 -1.922 -7.537 -13.685 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.434 -9.567 -12.525 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.183 -6.814 -13.255 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.411 -6.962 -11.613 1.00 0.00 H new ATOM 0 HG LEU A 70 1.387 -8.895 -13.698 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.181 -7.297 -14.256 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.581 -6.664 -14.711 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.391 -6.063 -13.245 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.411 -8.831 -12.317 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.649 -7.627 -11.251 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.978 -9.272 -11.359 1.00 0.00 H new ATOM 1078 N SER A 71 -1.972 -7.620 -10.371 1.00 0.00 N ATOM 1079 CA SER A 71 -2.394 -7.465 -8.978 1.00 0.00 C ATOM 1080 C SER A 71 -2.800 -8.790 -8.328 1.00 0.00 C ATOM 1081 O SER A 71 -2.895 -8.876 -7.107 1.00 0.00 O ATOM 1082 CB SER A 71 -3.560 -6.490 -8.884 1.00 0.00 C ATOM 1083 OG SER A 71 -3.129 -5.215 -8.443 1.00 0.00 O ATOM 0 H SER A 71 -2.363 -6.921 -11.003 1.00 0.00 H new ATOM 0 HA SER A 71 -1.530 -7.080 -8.437 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.039 -6.397 -9.859 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.310 -6.881 -8.196 1.00 0.00 H new ATOM 0 HG SER A 71 -2.849 -4.679 -9.215 1.00 0.00 H new ATOM 1089 N HIS A 72 -3.021 -9.829 -9.130 1.00 0.00 N ATOM 1090 CA HIS A 72 -3.391 -11.133 -8.590 1.00 0.00 C ATOM 1091 C HIS A 72 -2.377 -11.561 -7.534 1.00 0.00 C ATOM 1092 O HIS A 72 -2.637 -12.446 -6.718 1.00 0.00 O ATOM 1093 CB HIS A 72 -3.463 -12.175 -9.708 1.00 0.00 C ATOM 1094 CG HIS A 72 -4.863 -12.559 -10.073 1.00 0.00 C ATOM 1095 ND1 HIS A 72 -5.493 -13.677 -9.566 1.00 0.00 N ATOM 1096 CD2 HIS A 72 -5.758 -11.970 -10.900 1.00 0.00 C ATOM 1097 CE1 HIS A 72 -6.713 -13.757 -10.066 1.00 0.00 C ATOM 1098 NE2 HIS A 72 -6.899 -12.732 -10.878 1.00 0.00 N ATOM 0 H HIS A 72 -2.951 -9.794 -10.147 1.00 0.00 H new ATOM 0 HA HIS A 72 -4.375 -11.056 -8.128 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.959 -11.784 -10.592 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.918 -13.067 -9.399 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.603 -11.067 -11.472 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.436 -14.529 -9.848 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -7.752 -12.538 -11.403 1.00 0.00 H new ATOM 1107 N ASN A 73 -1.219 -10.907 -7.560 1.00 0.00 N ATOM 1108 CA ASN A 73 -0.150 -11.179 -6.624 1.00 0.00 C ATOM 1109 C ASN A 73 -0.550 -10.763 -5.209 1.00 0.00 C ATOM 1110 O ASN A 73 -0.302 -11.483 -4.241 1.00 0.00 O ATOM 1111 CB ASN A 73 1.092 -10.421 -7.078 1.00 0.00 C ATOM 1112 CG ASN A 73 1.572 -10.889 -8.436 1.00 0.00 C ATOM 1113 OD1 ASN A 73 1.927 -12.056 -8.610 1.00 0.00 O ATOM 1114 ND2 ASN A 73 1.589 -9.984 -9.410 1.00 0.00 N ATOM 0 H ASN A 73 -1.002 -10.173 -8.235 1.00 0.00 H new ATOM 0 HA ASN A 73 0.058 -12.249 -6.603 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.872 -9.354 -7.118 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.888 -10.555 -6.345 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.905 -10.246 -10.344 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.286 -9.028 -9.223 1.00 0.00 H new ATOM 1121 N PHE A 74 -1.190 -9.602 -5.106 1.00 0.00 N ATOM 1122 CA PHE A 74 -1.654 -9.078 -3.834 1.00 0.00 C ATOM 1123 C PHE A 74 -2.592 -7.895 -4.060 1.00 0.00 C ATOM 1124 O PHE A 74 -2.807 -7.480 -5.196 1.00 0.00 O ATOM 1125 CB PHE A 74 -0.481 -8.715 -2.912 1.00 0.00 C ATOM 1126 CG PHE A 74 0.476 -7.691 -3.455 1.00 0.00 C ATOM 1127 CD1 PHE A 74 1.029 -7.827 -4.718 1.00 0.00 C ATOM 1128 CD2 PHE A 74 0.839 -6.598 -2.683 1.00 0.00 C ATOM 1129 CE1 PHE A 74 1.918 -6.889 -5.201 1.00 0.00 C ATOM 1130 CE2 PHE A 74 1.727 -5.658 -3.164 1.00 0.00 C ATOM 1131 CZ PHE A 74 2.265 -5.803 -4.421 1.00 0.00 C ATOM 0 H PHE A 74 -1.399 -9.002 -5.904 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.218 -9.860 -3.325 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.884 -8.346 -1.969 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.076 -9.624 -2.687 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.762 -8.675 -5.330 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.422 -6.481 -1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.342 -7.004 -6.188 1.00 0.00 H new ATOM 0 HE2 PHE A 74 1.999 -4.809 -2.554 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.959 -5.067 -4.799 1.00 0.00 H new ATOM 1141 N VAL A 75 -3.170 -7.364 -2.989 1.00 0.00 N ATOM 1142 CA VAL A 75 -4.100 -6.250 -3.116 1.00 0.00 C ATOM 1143 C VAL A 75 -3.704 -5.115 -2.193 1.00 0.00 C ATOM 1144 O VAL A 75 -3.245 -5.350 -1.077 1.00 0.00 O ATOM 1145 CB VAL A 75 -5.552 -6.688 -2.807 1.00 0.00 C ATOM 1146 CG1 VAL A 75 -5.874 -7.999 -3.508 1.00 0.00 C ATOM 1147 CG2 VAL A 75 -5.781 -6.815 -1.307 1.00 0.00 C ATOM 0 H VAL A 75 -3.013 -7.683 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.056 -5.905 -4.149 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.223 -5.917 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.899 -8.292 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.764 -7.872 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.190 -8.774 -3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.810 -7.124 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.099 -7.559 -0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.599 -5.853 -0.828 1.00 0.00 H new ATOM 1157 N MET A 76 -3.861 -3.882 -2.657 1.00 0.00 N ATOM 1158 CA MET A 76 -3.489 -2.746 -1.848 1.00 0.00 C ATOM 1159 C MET A 76 -4.704 -1.883 -1.497 1.00 0.00 C ATOM 1160 O MET A 76 -5.856 -2.281 -1.728 1.00 0.00 O ATOM 1161 CB MET A 76 -2.391 -1.934 -2.529 1.00 0.00 C ATOM 1162 CG MET A 76 -1.796 -2.584 -3.781 1.00 0.00 C ATOM 1163 SD MET A 76 -1.052 -4.199 -3.474 1.00 0.00 S ATOM 1164 CE MET A 76 -1.015 -4.876 -5.132 1.00 0.00 C ATOM 0 H MET A 76 -4.238 -3.652 -3.576 1.00 0.00 H new ATOM 0 HA MET A 76 -3.087 -3.120 -0.906 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.795 -0.958 -2.800 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.589 -1.759 -1.811 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.579 -2.691 -4.531 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.041 -1.920 -4.201 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.979 -5.964 -5.080 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.911 -4.568 -5.671 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.132 -4.509 -5.655 1.00 0.00 H new ATOM 1174 N VAL A 77 -4.444 -0.723 -0.891 1.00 0.00 N ATOM 1175 CA VAL A 77 -5.519 0.160 -0.452 1.00 0.00 C ATOM 1176 C VAL A 77 -5.158 1.645 -0.585 1.00 0.00 C ATOM 1177 O VAL A 77 -4.111 2.082 -0.119 1.00 0.00 O ATOM 1178 CB VAL A 77 -5.860 -0.170 1.020 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -6.375 1.039 1.792 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -6.853 -1.319 1.071 1.00 0.00 C ATOM 0 H VAL A 77 -3.504 -0.377 -0.695 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.380 -0.011 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.936 -0.470 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.598 0.747 2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.615 1.820 1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.281 1.415 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.091 -1.549 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.764 -1.036 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.417 -2.198 0.596 1.00 0.00 H new ATOM 1190 N ASN A 78 -6.053 2.415 -1.208 1.00 0.00 N ATOM 1191 CA ASN A 78 -5.849 3.851 -1.383 1.00 0.00 C ATOM 1192 C ASN A 78 -6.899 4.653 -0.623 1.00 0.00 C ATOM 1193 O ASN A 78 -8.087 4.589 -0.937 1.00 0.00 O ATOM 1194 CB ASN A 78 -5.911 4.231 -2.858 1.00 0.00 C ATOM 1195 CG ASN A 78 -5.319 5.598 -3.135 1.00 0.00 C ATOM 1196 OD1 ASN A 78 -5.927 6.425 -3.815 1.00 0.00 O ATOM 1197 ND2 ASN A 78 -4.126 5.842 -2.609 1.00 0.00 N ATOM 0 H ASN A 78 -6.927 2.065 -1.600 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.862 4.087 -0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.378 3.483 -3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.949 4.215 -3.190 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.676 6.745 -2.762 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.658 5.127 -2.052 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.455 5.416 0.368 1.00 0.00 N ATOM 1205 CA LEU A 79 -7.367 6.238 1.156 1.00 0.00 C ATOM 1206 C LEU A 79 -7.002 7.721 1.044 1.00 0.00 C ATOM 1207 O LEU A 79 -5.944 8.077 0.510 1.00 0.00 O ATOM 1208 CB LEU A 79 -7.376 5.781 2.620 1.00 0.00 C ATOM 1209 CG LEU A 79 -6.299 6.394 3.518 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -6.731 7.769 4.001 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -6.016 5.481 4.700 1.00 0.00 C ATOM 0 H LEU A 79 -5.476 5.483 0.645 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.373 6.112 0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.352 6.012 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.267 4.697 2.643 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.383 6.504 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.954 8.191 4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.891 8.422 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.658 7.681 4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.248 5.929 5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.928 5.344 5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.669 4.514 4.337 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.892 8.580 1.539 1.00 0.00 N ATOM 1224 CA GLU A 80 -7.675 10.023 1.487 1.00 0.00 C ATOM 1225 C GLU A 80 -7.823 10.655 2.870 1.00 0.00 C ATOM 1226 O GLU A 80 -8.246 10.004 3.824 1.00 0.00 O ATOM 1227 CB GLU A 80 -8.663 10.667 0.512 1.00 0.00 C ATOM 1228 CG GLU A 80 -8.028 11.705 -0.400 1.00 0.00 C ATOM 1229 CD GLU A 80 -9.057 12.489 -1.190 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -9.428 12.038 -2.294 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -9.494 13.554 -0.704 1.00 0.00 O ATOM 0 H GLU A 80 -8.769 8.301 1.980 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.657 10.199 1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.118 9.888 -0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.467 11.137 1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.432 12.394 0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.345 11.209 -1.090 1.00 0.00 H new ATOM 1238 N ASP A 81 -7.468 11.934 2.968 1.00 0.00 N ATOM 1239 CA ASP A 81 -7.553 12.668 4.229 1.00 0.00 C ATOM 1240 C ASP A 81 -8.885 12.430 4.940 1.00 0.00 C ATOM 1241 O ASP A 81 -8.969 12.530 6.164 1.00 0.00 O ATOM 1242 CB ASP A 81 -7.366 14.165 3.974 1.00 0.00 C ATOM 1243 CG ASP A 81 -6.819 14.894 5.187 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -5.795 14.441 5.739 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -7.416 15.918 5.582 1.00 0.00 O ATOM 0 H ASP A 81 -7.117 12.486 2.185 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.758 12.299 4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.688 14.306 3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.322 14.605 3.690 1.00 0.00 H new ATOM 1250 N GLU A 82 -9.924 12.121 4.167 1.00 0.00 N ATOM 1251 CA GLU A 82 -11.254 11.876 4.726 1.00 0.00 C ATOM 1252 C GLU A 82 -11.192 10.957 5.947 1.00 0.00 C ATOM 1253 O GLU A 82 -11.919 11.155 6.920 1.00 0.00 O ATOM 1254 CB GLU A 82 -12.168 11.265 3.662 1.00 0.00 C ATOM 1255 CG GLU A 82 -12.929 12.300 2.847 1.00 0.00 C ATOM 1256 CD GLU A 82 -12.364 12.471 1.450 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -12.675 11.633 0.578 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -11.611 13.442 1.229 1.00 0.00 O ATOM 0 H GLU A 82 -9.872 12.034 3.152 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.659 12.835 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -11.569 10.653 2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.882 10.600 4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -13.976 12.005 2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.901 13.258 3.366 1.00 0.00 H new ATOM 1265 N GLU A 83 -10.320 9.954 5.889 1.00 0.00 N ATOM 1266 CA GLU A 83 -10.168 9.008 6.990 1.00 0.00 C ATOM 1267 C GLU A 83 -9.615 9.701 8.233 1.00 0.00 C ATOM 1268 O GLU A 83 -10.217 9.650 9.306 1.00 0.00 O ATOM 1269 CB GLU A 83 -9.244 7.861 6.579 1.00 0.00 C ATOM 1270 CG GLU A 83 -9.668 6.510 7.135 1.00 0.00 C ATOM 1271 CD GLU A 83 -10.276 5.609 6.078 1.00 0.00 C ATOM 1272 OE1 GLU A 83 -10.905 6.139 5.137 1.00 0.00 O ATOM 1273 OE2 GLU A 83 -10.125 4.376 6.191 1.00 0.00 O ATOM 0 H GLU A 83 -9.709 9.776 5.092 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.153 8.606 7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.212 7.803 5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.231 8.082 6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.803 6.015 7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.390 6.662 7.937 1.00 0.00 H new ATOM 1280 N GLU A 84 -8.463 10.347 8.078 1.00 0.00 N ATOM 1281 CA GLU A 84 -7.817 11.053 9.181 1.00 0.00 C ATOM 1282 C GLU A 84 -7.255 10.073 10.211 1.00 0.00 C ATOM 1283 O GLU A 84 -7.959 9.647 11.127 1.00 0.00 O ATOM 1284 CB GLU A 84 -8.797 12.020 9.853 1.00 0.00 C ATOM 1285 CG GLU A 84 -8.320 13.464 9.855 1.00 0.00 C ATOM 1286 CD GLU A 84 -7.011 13.646 10.600 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -6.122 12.779 10.460 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -6.873 14.656 11.320 1.00 0.00 O ATOM 0 H GLU A 84 -7.955 10.396 7.195 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.987 11.626 8.766 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.758 11.964 9.342 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.964 11.699 10.881 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.198 13.804 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.084 14.094 10.311 1.00 0.00 H new ATOM 1295 N PRO A 85 -5.975 9.696 10.059 1.00 0.00 N ATOM 1296 CA PRO A 85 -5.300 8.757 10.953 1.00 0.00 C ATOM 1297 C PRO A 85 -4.563 9.450 12.098 1.00 0.00 C ATOM 1298 O PRO A 85 -4.872 10.588 12.452 1.00 0.00 O ATOM 1299 CB PRO A 85 -4.302 8.116 10.000 1.00 0.00 C ATOM 1300 CG PRO A 85 -3.864 9.254 9.144 1.00 0.00 C ATOM 1301 CD PRO A 85 -5.071 10.143 8.981 1.00 0.00 C ATOM 0 HA PRO A 85 -5.987 8.072 11.449 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.464 7.670 10.536 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.762 7.323 9.410 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.040 9.796 9.608 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.507 8.900 8.177 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -4.811 11.196 9.086 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.528 10.024 7.999 1.00 0.00 H new ATOM 1309 N LYS A 86 -3.582 8.752 12.665 1.00 0.00 N ATOM 1310 CA LYS A 86 -2.788 9.287 13.762 1.00 0.00 C ATOM 1311 C LYS A 86 -1.591 8.383 14.050 1.00 0.00 C ATOM 1312 O LYS A 86 -1.234 8.160 15.206 1.00 0.00 O ATOM 1313 CB LYS A 86 -3.647 9.434 15.019 1.00 0.00 C ATOM 1314 CG LYS A 86 -3.138 10.494 15.982 1.00 0.00 C ATOM 1315 CD LYS A 86 -3.350 11.894 15.431 1.00 0.00 C ATOM 1316 CE LYS A 86 -2.081 12.442 14.799 1.00 0.00 C ATOM 1317 NZ LYS A 86 -2.369 13.225 13.565 1.00 0.00 N ATOM 0 H LYS A 86 -3.319 7.809 12.379 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.420 10.270 13.469 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.667 9.681 14.725 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.688 8.475 15.536 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.653 10.396 16.938 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.077 10.334 16.173 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.149 11.877 14.690 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.674 12.557 16.234 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.562 13.075 15.518 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.410 11.617 14.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.478 13.581 13.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.842 12.614 12.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.988 14.027 13.799 1.00 0.00 H new ATOM 1331 N ASP A 87 -0.978 7.862 12.990 1.00 0.00 N ATOM 1332 CA ASP A 87 0.175 6.976 13.133 1.00 0.00 C ATOM 1333 C ASP A 87 1.105 7.076 11.921 1.00 0.00 C ATOM 1334 O ASP A 87 1.016 8.014 11.131 1.00 0.00 O ATOM 1335 CB ASP A 87 -0.291 5.531 13.322 1.00 0.00 C ATOM 1336 CG ASP A 87 0.528 4.792 14.362 1.00 0.00 C ATOM 1337 OD1 ASP A 87 0.672 5.317 15.486 1.00 0.00 O ATOM 1338 OD2 ASP A 87 1.026 3.689 14.053 1.00 0.00 O ATOM 0 H ASP A 87 -1.259 8.037 12.025 1.00 0.00 H new ATOM 0 HA ASP A 87 0.734 7.290 14.014 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.340 5.526 13.619 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.226 5.004 12.370 1.00 0.00 H new ATOM 1343 N GLU A 88 2.004 6.101 11.793 1.00 0.00 N ATOM 1344 CA GLU A 88 2.963 6.067 10.690 1.00 0.00 C ATOM 1345 C GLU A 88 2.351 5.470 9.423 1.00 0.00 C ATOM 1346 O GLU A 88 2.917 5.592 8.336 1.00 0.00 O ATOM 1347 CB GLU A 88 4.206 5.269 11.098 1.00 0.00 C ATOM 1348 CG GLU A 88 5.399 6.142 11.450 1.00 0.00 C ATOM 1349 CD GLU A 88 5.989 6.839 10.239 1.00 0.00 C ATOM 1350 OE1 GLU A 88 5.992 6.232 9.148 1.00 0.00 O ATOM 1351 OE2 GLU A 88 6.445 7.993 10.383 1.00 0.00 O ATOM 0 H GLU A 88 2.088 5.320 12.444 1.00 0.00 H new ATOM 0 HA GLU A 88 3.247 7.096 10.468 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.960 4.641 11.955 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.483 4.601 10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.094 6.890 12.182 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.167 5.529 11.922 1.00 0.00 H new ATOM 1358 N ASP A 89 1.200 4.817 9.565 1.00 0.00 N ATOM 1359 CA ASP A 89 0.514 4.191 8.431 1.00 0.00 C ATOM 1360 C ASP A 89 0.390 5.135 7.225 1.00 0.00 C ATOM 1361 O ASP A 89 0.072 4.689 6.122 1.00 0.00 O ATOM 1362 CB ASP A 89 -0.869 3.689 8.855 1.00 0.00 C ATOM 1363 CG ASP A 89 -1.164 2.294 8.328 1.00 0.00 C ATOM 1364 OD1 ASP A 89 -0.713 1.308 8.956 1.00 0.00 O ATOM 1365 OD2 ASP A 89 -1.846 2.188 7.287 1.00 0.00 O ATOM 0 H ASP A 89 0.719 4.706 10.457 1.00 0.00 H new ATOM 0 HA ASP A 89 1.125 3.345 8.116 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.933 3.685 9.943 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.630 4.380 8.493 1.00 0.00 H new ATOM 1370 N PHE A 90 0.627 6.432 7.428 1.00 0.00 N ATOM 1371 CA PHE A 90 0.532 7.404 6.340 1.00 0.00 C ATOM 1372 C PHE A 90 1.885 8.053 6.052 1.00 0.00 C ATOM 1373 O PHE A 90 2.189 8.391 4.899 1.00 0.00 O ATOM 1374 CB PHE A 90 -0.476 8.496 6.686 1.00 0.00 C ATOM 1375 CG PHE A 90 -1.901 8.039 6.664 1.00 0.00 C ATOM 1376 CD1 PHE A 90 -2.310 6.956 7.428 1.00 0.00 C ATOM 1377 CD2 PHE A 90 -2.839 8.703 5.890 1.00 0.00 C ATOM 1378 CE1 PHE A 90 -3.628 6.546 7.421 1.00 0.00 C ATOM 1379 CE2 PHE A 90 -4.158 8.296 5.878 1.00 0.00 C ATOM 1380 CZ PHE A 90 -4.553 7.217 6.646 1.00 0.00 C ATOM 0 H PHE A 90 0.885 6.831 8.331 1.00 0.00 H new ATOM 0 HA PHE A 90 0.203 6.864 5.452 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.246 8.887 7.677 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.359 9.320 5.983 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.589 6.428 8.035 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.535 9.548 5.290 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.935 5.702 8.021 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.880 8.820 5.269 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.585 6.899 6.640 1.00 0.00 H new ATOM 1390 N SER A 91 2.678 8.237 7.114 1.00 0.00 N ATOM 1391 CA SER A 91 3.996 8.862 7.010 1.00 0.00 C ATOM 1392 C SER A 91 5.093 7.826 6.762 1.00 0.00 C ATOM 1393 O SER A 91 4.875 6.625 6.922 1.00 0.00 O ATOM 1394 CB SER A 91 4.309 9.647 8.285 1.00 0.00 C ATOM 1395 OG SER A 91 3.352 10.671 8.501 1.00 0.00 O ATOM 0 H SER A 91 2.424 7.958 8.062 1.00 0.00 H new ATOM 0 HA SER A 91 3.972 9.541 6.158 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.321 8.970 9.139 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.305 10.085 8.211 1.00 0.00 H new ATOM 0 HG SER A 91 3.573 11.157 9.323 1.00 0.00 H new ATOM 1401 N PRO A 92 6.290 8.286 6.353 1.00 0.00 N ATOM 1402 CA PRO A 92 7.433 7.441 6.058 1.00 0.00 C ATOM 1403 C PRO A 92 8.488 7.489 7.173 1.00 0.00 C ATOM 1404 O PRO A 92 8.295 6.911 8.244 1.00 0.00 O ATOM 1405 CB PRO A 92 7.941 8.108 4.780 1.00 0.00 C ATOM 1406 CG PRO A 92 7.650 9.574 4.977 1.00 0.00 C ATOM 1407 CD PRO A 92 6.648 9.684 6.110 1.00 0.00 C ATOM 0 HA PRO A 92 7.199 6.381 5.964 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.007 7.931 4.637 1.00 0.00 H new ATOM 0 HB3 PRO A 92 7.432 7.717 3.899 1.00 0.00 H new ATOM 0 HG2 PRO A 92 8.563 10.119 5.217 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.248 10.013 4.064 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.084 10.151 6.993 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.781 10.282 5.829 1.00 0.00 H new ATOM 1415 N ASP A 93 9.593 8.196 6.924 1.00 0.00 N ATOM 1416 CA ASP A 93 10.661 8.338 7.903 1.00 0.00 C ATOM 1417 C ASP A 93 10.997 9.818 8.110 1.00 0.00 C ATOM 1418 O ASP A 93 11.887 10.162 8.890 1.00 0.00 O ATOM 1419 CB ASP A 93 11.907 7.573 7.449 1.00 0.00 C ATOM 1420 CG ASP A 93 12.490 8.128 6.163 1.00 0.00 C ATOM 1421 OD1 ASP A 93 11.751 8.201 5.160 1.00 0.00 O ATOM 1422 OD2 ASP A 93 13.687 8.484 6.160 1.00 0.00 O ATOM 0 H ASP A 93 9.767 8.681 6.044 1.00 0.00 H new ATOM 0 HA ASP A 93 10.321 7.919 8.850 1.00 0.00 H new ATOM 0 HB2 ASP A 93 12.662 7.614 8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 93 11.653 6.523 7.306 1.00 0.00 H new ATOM 1427 N GLY A 94 10.269 10.687 7.408 1.00 0.00 N ATOM 1428 CA GLY A 94 10.481 12.116 7.520 1.00 0.00 C ATOM 1429 C GLY A 94 9.200 12.838 7.886 1.00 0.00 C ATOM 1430 O GLY A 94 9.114 13.465 8.941 1.00 0.00 O ATOM 0 H GLY A 94 9.530 10.419 6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.241 12.314 8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.862 12.504 6.575 1.00 0.00 H new ATOM 1434 N GLY A 95 8.192 12.734 7.020 1.00 0.00 N ATOM 1435 CA GLY A 95 6.921 13.374 7.300 1.00 0.00 C ATOM 1436 C GLY A 95 6.249 13.982 6.080 1.00 0.00 C ATOM 1437 O GLY A 95 5.997 15.187 6.050 1.00 0.00 O ATOM 0 H GLY A 95 8.234 12.223 6.139 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.248 12.641 7.745 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.076 14.156 8.043 1.00 0.00 H new ATOM 1441 N TYR A 96 5.922 13.158 5.083 1.00 0.00 N ATOM 1442 CA TYR A 96 5.239 13.664 3.895 1.00 0.00 C ATOM 1443 C TYR A 96 3.729 13.644 4.129 1.00 0.00 C ATOM 1444 O TYR A 96 3.283 13.387 5.247 1.00 0.00 O ATOM 1445 CB TYR A 96 5.619 12.876 2.629 1.00 0.00 C ATOM 1446 CG TYR A 96 5.561 11.366 2.754 1.00 0.00 C ATOM 1447 CD1 TYR A 96 4.776 10.741 3.712 1.00 0.00 C ATOM 1448 CD2 TYR A 96 6.299 10.563 1.889 1.00 0.00 C ATOM 1449 CE1 TYR A 96 4.731 9.364 3.807 1.00 0.00 C ATOM 1450 CE2 TYR A 96 6.256 9.184 1.981 1.00 0.00 C ATOM 1451 CZ TYR A 96 5.470 8.592 2.944 1.00 0.00 C ATOM 1452 OH TYR A 96 5.420 7.223 3.044 1.00 0.00 O ATOM 0 H TYR A 96 6.115 12.156 5.074 1.00 0.00 H new ATOM 0 HA TYR A 96 5.562 14.691 3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.955 13.181 1.820 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.630 13.160 2.336 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.191 11.340 4.394 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.916 11.025 1.133 1.00 0.00 H new ATOM 0 HE1 TYR A 96 4.115 8.894 4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.835 8.575 1.302 1.00 0.00 H new ATOM 0 HH TYR A 96 5.588 6.956 3.972 1.00 0.00 H new ATOM 1462 N ILE A 97 2.937 13.937 3.100 1.00 0.00 N ATOM 1463 CA ILE A 97 1.485 13.964 3.269 1.00 0.00 C ATOM 1464 C ILE A 97 0.720 13.590 1.959 1.00 0.00 C ATOM 1465 O ILE A 97 0.038 14.530 1.556 1.00 0.00 O ATOM 1466 CB ILE A 97 1.031 15.365 3.700 1.00 0.00 C ATOM 1467 CG1 ILE A 97 1.610 16.397 2.738 1.00 0.00 C ATOM 1468 CG2 ILE A 97 1.460 15.657 5.129 1.00 0.00 C ATOM 1469 CD1 ILE A 97 0.671 17.541 2.429 1.00 0.00 C ATOM 0 H ILE A 97 3.266 14.155 2.159 1.00 0.00 H new ATOM 0 HA ILE A 97 1.250 13.222 4.032 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.057 15.415 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.530 16.799 3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.880 15.900 1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.127 16.656 5.412 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.015 14.922 5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.546 15.603 5.201 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.155 18.232 1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.240 17.151 1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.420 18.065 3.351 1.00 0.00 H new ATOM 1481 N PRO A 98 0.083 12.385 2.018 1.00 0.00 N ATOM 1482 CA PRO A 98 0.352 10.956 2.391 1.00 0.00 C ATOM 1483 C PRO A 98 0.868 10.204 1.169 1.00 0.00 C ATOM 1484 O PRO A 98 0.548 10.578 0.035 1.00 0.00 O ATOM 1485 CB PRO A 98 -0.999 10.404 2.810 1.00 0.00 C ATOM 1486 CG PRO A 98 -1.404 11.469 3.678 1.00 0.00 C ATOM 1487 CD PRO A 98 -0.237 12.394 3.525 1.00 0.00 C ATOM 0 HA PRO A 98 1.097 10.859 3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.678 10.263 1.969 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -0.924 9.445 3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.342 11.927 3.364 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -1.540 11.138 4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.481 13.398 3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.616 12.054 4.112 1.00 0.00 H new ATOM 1495 N ARG A 99 1.693 9.177 1.396 1.00 0.00 N ATOM 1496 CA ARG A 99 2.290 8.412 0.300 1.00 0.00 C ATOM 1497 C ARG A 99 1.922 6.928 0.344 1.00 0.00 C ATOM 1498 O ARG A 99 1.024 6.524 1.082 1.00 0.00 O ATOM 1499 CB ARG A 99 3.797 8.582 0.350 1.00 0.00 C ATOM 1500 CG ARG A 99 4.331 9.585 -0.652 1.00 0.00 C ATOM 1501 CD ARG A 99 3.872 11.001 -0.335 1.00 0.00 C ATOM 1502 NE ARG A 99 3.759 11.823 -1.537 1.00 0.00 N ATOM 1503 CZ ARG A 99 3.608 13.145 -1.521 1.00 0.00 C ATOM 1504 NH1 ARG A 99 3.508 13.793 -0.368 1.00 0.00 N ATOM 1505 NH2 ARG A 99 3.544 13.820 -2.659 1.00 0.00 N ATOM 0 H ARG A 99 1.961 8.858 2.327 1.00 0.00 H new ATOM 0 HA ARG A 99 1.891 8.800 -0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.085 8.896 1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.269 7.616 0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.420 9.549 -0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.998 9.311 -1.653 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.907 10.964 0.171 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.577 11.464 0.356 1.00 0.00 H new ATOM 0 HE ARG A 99 3.798 11.356 -2.443 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.547 13.278 0.512 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.392 14.806 -0.361 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.610 13.326 -3.549 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.428 14.833 -2.645 1.00 0.00 H new ATOM 1519 N ILE A 100 2.614 6.120 -0.473 1.00 0.00 N ATOM 1520 CA ILE A 100 2.340 4.685 -0.538 1.00 0.00 C ATOM 1521 C ILE A 100 3.157 3.904 0.489 1.00 0.00 C ATOM 1522 O ILE A 100 4.353 4.128 0.642 1.00 0.00 O ATOM 1523 CB ILE A 100 2.582 4.119 -1.959 1.00 0.00 C ATOM 1524 CG1 ILE A 100 4.076 3.974 -2.274 1.00 0.00 C ATOM 1525 CG2 ILE A 100 1.915 5.007 -2.998 1.00 0.00 C ATOM 1526 CD1 ILE A 100 4.430 2.622 -2.858 1.00 0.00 C ATOM 0 H ILE A 100 3.361 6.437 -1.091 1.00 0.00 H new ATOM 0 HA ILE A 100 1.284 4.560 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 100 2.140 3.123 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.371 4.755 -2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.651 4.131 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.092 4.599 -3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.842 5.047 -2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.332 6.012 -2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.501 2.582 -3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.164 1.838 -2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.880 2.472 -3.787 1.00 0.00 H new ATOM 1538 N LEU A 101 2.487 3.006 1.214 1.00 0.00 N ATOM 1539 CA LEU A 101 3.130 2.207 2.252 1.00 0.00 C ATOM 1540 C LEU A 101 2.859 0.710 2.081 1.00 0.00 C ATOM 1541 O LEU A 101 1.708 0.298 1.948 1.00 0.00 O ATOM 1542 CB LEU A 101 2.616 2.662 3.617 1.00 0.00 C ATOM 1543 CG LEU A 101 3.385 3.819 4.260 1.00 0.00 C ATOM 1544 CD1 LEU A 101 3.688 4.910 3.251 1.00 0.00 C ATOM 1545 CD2 LEU A 101 2.601 4.400 5.420 1.00 0.00 C ATOM 0 H LEU A 101 1.492 2.815 1.098 1.00 0.00 H new ATOM 0 HA LEU A 101 4.207 2.357 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.572 2.957 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.640 1.810 4.297 1.00 0.00 H new ATOM 0 HG LEU A 101 4.330 3.419 4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.235 5.716 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.293 4.500 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.754 5.299 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.164 5.221 5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.641 4.770 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.434 3.627 6.170 1.00 0.00 H new ATOM 1557 N PHE A 102 3.920 -0.107 2.106 1.00 0.00 N ATOM 1558 CA PHE A 102 3.762 -1.556 1.979 1.00 0.00 C ATOM 1559 C PHE A 102 3.676 -2.195 3.368 1.00 0.00 C ATOM 1560 O PHE A 102 4.360 -1.758 4.296 1.00 0.00 O ATOM 1561 CB PHE A 102 4.938 -2.152 1.209 1.00 0.00 C ATOM 1562 CG PHE A 102 4.813 -2.056 -0.285 1.00 0.00 C ATOM 1563 CD1 PHE A 102 4.979 -0.842 -0.932 1.00 0.00 C ATOM 1564 CD2 PHE A 102 4.546 -3.185 -1.044 1.00 0.00 C ATOM 1565 CE1 PHE A 102 4.877 -0.753 -2.307 1.00 0.00 C ATOM 1566 CE2 PHE A 102 4.446 -3.105 -2.421 1.00 0.00 C ATOM 1567 CZ PHE A 102 4.611 -1.887 -3.052 1.00 0.00 C ATOM 0 H PHE A 102 4.884 0.208 2.212 1.00 0.00 H new ATOM 0 HA PHE A 102 2.842 -1.760 1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 102 5.853 -1.647 1.518 1.00 0.00 H new ATOM 0 HB3 PHE A 102 5.044 -3.201 1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.191 0.046 -0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.415 -4.138 -0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.005 0.200 -2.799 1.00 0.00 H new ATOM 0 HE2 PHE A 102 4.240 -3.992 -3.001 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.532 -1.821 -4.127 1.00 0.00 H new ATOM 1577 N LEU A 103 2.838 -3.223 3.523 1.00 0.00 N ATOM 1578 CA LEU A 103 2.701 -3.880 4.824 1.00 0.00 C ATOM 1579 C LEU A 103 2.157 -5.300 4.723 1.00 0.00 C ATOM 1580 O LEU A 103 1.922 -5.825 3.632 1.00 0.00 O ATOM 1581 CB LEU A 103 1.798 -3.065 5.748 1.00 0.00 C ATOM 1582 CG LEU A 103 0.753 -2.188 5.056 1.00 0.00 C ATOM 1583 CD1 LEU A 103 -0.544 -2.176 5.838 1.00 0.00 C ATOM 1584 CD2 LEU A 103 1.277 -0.775 4.847 1.00 0.00 C ATOM 0 H LEU A 103 2.256 -3.612 2.781 1.00 0.00 H new ATOM 0 HA LEU A 103 3.708 -3.940 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.281 -3.752 6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.427 -2.427 6.369 1.00 0.00 H new ATOM 0 HG LEU A 103 0.551 -2.617 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.272 -1.546 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.933 -3.191 5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.362 -1.782 6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.514 -0.173 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.521 -0.331 5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.172 -0.807 4.226 1.00 0.00 H new ATOM 1596 N ASP A 104 1.960 -5.910 5.895 1.00 0.00 N ATOM 1597 CA ASP A 104 1.448 -7.274 5.983 1.00 0.00 C ATOM 1598 C ASP A 104 -0.041 -7.329 5.642 1.00 0.00 C ATOM 1599 O ASP A 104 -0.771 -6.351 5.841 1.00 0.00 O ATOM 1600 CB ASP A 104 1.684 -7.835 7.387 1.00 0.00 C ATOM 1601 CG ASP A 104 2.876 -8.768 7.441 1.00 0.00 C ATOM 1602 OD1 ASP A 104 3.871 -8.500 6.735 1.00 0.00 O ATOM 1603 OD2 ASP A 104 2.815 -9.766 8.189 1.00 0.00 O ATOM 0 H ASP A 104 2.149 -5.476 6.798 1.00 0.00 H new ATOM 0 HA ASP A 104 1.985 -7.883 5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.839 -7.011 8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.793 -8.369 7.717 1.00 0.00 H new ATOM 1608 N PRO A 105 -0.506 -8.487 5.125 1.00 0.00 N ATOM 1609 CA PRO A 105 -1.911 -8.689 4.745 1.00 0.00 C ATOM 1610 C PRO A 105 -2.868 -8.509 5.914 1.00 0.00 C ATOM 1611 O PRO A 105 -3.110 -9.440 6.681 1.00 0.00 O ATOM 1612 CB PRO A 105 -1.958 -10.136 4.237 1.00 0.00 C ATOM 1613 CG PRO A 105 -0.710 -10.782 4.736 1.00 0.00 C ATOM 1614 CD PRO A 105 0.311 -9.686 4.870 1.00 0.00 C ATOM 0 HA PRO A 105 -2.227 -7.956 4.003 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.842 -10.653 4.610 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.006 -10.167 3.149 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.883 -11.271 5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.367 -11.550 4.043 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.005 -9.881 5.688 1.00 0.00 H new ATOM 0 HD3 PRO A 105 0.908 -9.580 3.964 1.00 0.00 H new ATOM 1622 N SER A 106 -3.410 -7.299 6.030 1.00 0.00 N ATOM 1623 CA SER A 106 -4.357 -6.946 7.091 1.00 0.00 C ATOM 1624 C SER A 106 -4.378 -5.436 7.293 1.00 0.00 C ATOM 1625 O SER A 106 -5.364 -4.873 7.769 1.00 0.00 O ATOM 1626 CB SER A 106 -4.000 -7.628 8.419 1.00 0.00 C ATOM 1627 OG SER A 106 -2.640 -7.411 8.761 1.00 0.00 O ATOM 0 H SER A 106 -3.206 -6.532 5.390 1.00 0.00 H new ATOM 0 HA SER A 106 -5.342 -7.294 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.642 -7.244 9.212 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.192 -8.698 8.344 1.00 0.00 H new ATOM 0 HG SER A 106 -2.442 -7.855 9.612 1.00 0.00 H new ATOM 1633 N GLY A 107 -3.270 -4.788 6.938 1.00 0.00 N ATOM 1634 CA GLY A 107 -3.162 -3.353 7.097 1.00 0.00 C ATOM 1635 C GLY A 107 -2.169 -2.992 8.181 1.00 0.00 C ATOM 1636 O GLY A 107 -2.445 -2.140 9.026 1.00 0.00 O ATOM 0 H GLY A 107 -2.444 -5.237 6.542 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.853 -2.903 6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.139 -2.938 7.343 1.00 0.00 H new ATOM 1640 N LYS A 108 -1.016 -3.663 8.175 1.00 0.00 N ATOM 1641 CA LYS A 108 0.005 -3.418 9.192 1.00 0.00 C ATOM 1642 C LYS A 108 1.277 -2.785 8.620 1.00 0.00 C ATOM 1643 O LYS A 108 2.285 -3.471 8.427 1.00 0.00 O ATOM 1644 CB LYS A 108 0.358 -4.728 9.898 1.00 0.00 C ATOM 1645 CG LYS A 108 -0.449 -4.975 11.162 1.00 0.00 C ATOM 1646 CD LYS A 108 0.415 -5.556 12.270 1.00 0.00 C ATOM 1647 CE LYS A 108 -0.427 -6.207 13.356 1.00 0.00 C ATOM 1648 NZ LYS A 108 -0.363 -7.694 13.293 1.00 0.00 N ATOM 0 H LYS A 108 -0.768 -4.372 7.485 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.418 -2.706 9.900 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.200 -5.557 9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.419 -4.721 10.150 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.894 -4.039 11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.270 -5.658 10.943 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.100 -6.293 11.849 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.026 -4.766 12.707 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.082 -5.870 14.334 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.463 -5.884 13.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.950 -8.099 14.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.716 -8.018 12.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.622 -8.005 13.415 1.00 0.00 H new ATOM 1662 N VAL A 109 1.226 -1.475 8.357 1.00 0.00 N ATOM 1663 CA VAL A 109 2.378 -0.744 7.827 1.00 0.00 C ATOM 1664 C VAL A 109 3.664 -1.098 8.554 1.00 0.00 C ATOM 1665 O VAL A 109 3.744 -1.048 9.782 1.00 0.00 O ATOM 1666 CB VAL A 109 2.158 0.785 7.883 1.00 0.00 C ATOM 1667 CG1 VAL A 109 2.816 1.407 9.108 1.00 0.00 C ATOM 1668 CG2 VAL A 109 2.678 1.434 6.616 1.00 0.00 C ATOM 0 H VAL A 109 0.397 -0.900 8.503 1.00 0.00 H new ATOM 0 HA VAL A 109 2.476 -1.049 6.785 1.00 0.00 H new ATOM 0 HB VAL A 109 1.086 0.963 7.963 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.638 2.482 9.110 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.393 0.967 10.011 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.889 1.217 9.081 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.518 2.511 6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.744 1.230 6.514 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.147 1.028 5.755 1.00 0.00 H new ATOM 1678 N HIS A 110 4.674 -1.432 7.770 1.00 0.00 N ATOM 1679 CA HIS A 110 5.978 -1.771 8.301 1.00 0.00 C ATOM 1680 C HIS A 110 7.038 -0.960 7.572 1.00 0.00 C ATOM 1681 O HIS A 110 7.054 -0.926 6.341 1.00 0.00 O ATOM 1682 CB HIS A 110 6.253 -3.270 8.142 1.00 0.00 C ATOM 1683 CG HIS A 110 6.459 -3.980 9.442 1.00 0.00 C ATOM 1684 ND1 HIS A 110 5.471 -4.105 10.396 1.00 0.00 N ATOM 1685 CD2 HIS A 110 7.548 -4.606 9.948 1.00 0.00 C ATOM 1686 CE1 HIS A 110 5.943 -4.776 11.430 1.00 0.00 C ATOM 1687 NE2 HIS A 110 7.200 -5.092 11.183 1.00 0.00 N ATOM 0 H HIS A 110 4.612 -1.475 6.753 1.00 0.00 H new ATOM 0 HA HIS A 110 6.005 -1.535 9.365 1.00 0.00 H new ATOM 0 HB2 HIS A 110 5.418 -3.730 7.614 1.00 0.00 H new ATOM 0 HB3 HIS A 110 7.137 -3.405 7.519 1.00 0.00 H new ATOM 0 HD2 HIS A 110 8.511 -4.704 9.469 1.00 0.00 H new ATOM 0 HE1 HIS A 110 5.394 -5.024 12.326 1.00 0.00 H new ATOM 0 HE2 HIS A 110 7.814 -5.613 11.809 1.00 0.00 H new ATOM 1696 N PRO A 111 7.936 -0.286 8.306 1.00 0.00 N ATOM 1697 CA PRO A 111 8.991 0.524 7.695 1.00 0.00 C ATOM 1698 C PRO A 111 10.020 -0.339 6.972 1.00 0.00 C ATOM 1699 O PRO A 111 11.222 -0.081 7.044 1.00 0.00 O ATOM 1700 CB PRO A 111 9.630 1.243 8.886 1.00 0.00 C ATOM 1701 CG PRO A 111 9.321 0.382 10.063 1.00 0.00 C ATOM 1702 CD PRO A 111 7.992 -0.257 9.776 1.00 0.00 C ATOM 0 HA PRO A 111 8.602 1.205 6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 111 10.706 1.355 8.750 1.00 0.00 H new ATOM 0 HB3 PRO A 111 9.219 2.245 9.010 1.00 0.00 H new ATOM 0 HG2 PRO A 111 10.094 -0.373 10.206 1.00 0.00 H new ATOM 0 HG3 PRO A 111 9.279 0.973 10.978 1.00 0.00 H new ATOM 0 HD2 PRO A 111 7.928 -1.259 10.200 1.00 0.00 H new ATOM 0 HD3 PRO A 111 7.169 0.320 10.198 1.00 0.00 H new ATOM 1710 N GLU A 112 9.538 -1.367 6.278 1.00 0.00 N ATOM 1711 CA GLU A 112 10.412 -2.274 5.543 1.00 0.00 C ATOM 1712 C GLU A 112 10.365 -1.981 4.048 1.00 0.00 C ATOM 1713 O GLU A 112 11.347 -1.526 3.463 1.00 0.00 O ATOM 1714 CB GLU A 112 10.008 -3.726 5.805 1.00 0.00 C ATOM 1715 CG GLU A 112 10.881 -4.426 6.833 1.00 0.00 C ATOM 1716 CD GLU A 112 10.684 -3.879 8.232 1.00 0.00 C ATOM 1717 OE1 GLU A 112 10.484 -2.654 8.368 1.00 0.00 O ATOM 1718 OE2 GLU A 112 10.729 -4.675 9.193 1.00 0.00 O ATOM 0 H GLU A 112 8.545 -1.592 6.210 1.00 0.00 H new ATOM 0 HA GLU A 112 11.433 -2.120 5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.972 -3.750 6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 112 10.050 -4.281 4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 112 10.657 -5.493 6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.928 -4.319 6.549 1.00 0.00 H new ATOM 1725 N ILE A 113 9.215 -2.243 3.434 1.00 0.00 N ATOM 1726 CA ILE A 113 9.045 -2.003 2.009 1.00 0.00 C ATOM 1727 C ILE A 113 8.633 -0.553 1.748 1.00 0.00 C ATOM 1728 O ILE A 113 7.452 -0.183 1.868 1.00 0.00 O ATOM 1729 CB ILE A 113 8.015 -2.969 1.390 1.00 0.00 C ATOM 1730 CG1 ILE A 113 8.542 -4.403 1.445 1.00 0.00 C ATOM 1731 CG2 ILE A 113 7.696 -2.576 -0.046 1.00 0.00 C ATOM 1732 CD1 ILE A 113 8.069 -5.176 2.656 1.00 0.00 C ATOM 0 H ILE A 113 8.391 -2.620 3.901 1.00 0.00 H new ATOM 0 HA ILE A 113 10.007 -2.186 1.531 1.00 0.00 H new ATOM 0 HB ILE A 113 7.094 -2.908 1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.231 -4.930 0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.632 -4.381 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.967 -3.273 -0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.285 -1.567 -0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.608 -2.607 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.482 -6.184 2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.403 -4.672 3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.980 -5.230 2.651 1.00 0.00 H new ATOM 1744 N ILE A 114 9.632 0.255 1.397 1.00 0.00 N ATOM 1745 CA ILE A 114 9.434 1.672 1.117 1.00 0.00 C ATOM 1746 C ILE A 114 9.320 1.935 -0.380 1.00 0.00 C ATOM 1747 O ILE A 114 8.286 2.395 -0.866 1.00 0.00 O ATOM 1748 CB ILE A 114 10.593 2.532 1.677 1.00 0.00 C ATOM 1749 CG1 ILE A 114 11.943 1.801 1.541 1.00 0.00 C ATOM 1750 CG2 ILE A 114 10.323 2.922 3.124 1.00 0.00 C ATOM 1751 CD1 ILE A 114 12.315 0.937 2.728 1.00 0.00 C ATOM 0 H ILE A 114 10.599 -0.055 1.299 1.00 0.00 H new ATOM 0 HA ILE A 114 8.503 1.952 1.610 1.00 0.00 H new ATOM 0 HB ILE A 114 10.652 3.446 1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 114 11.914 1.176 0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 114 12.728 2.541 1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 114 11.150 3.526 3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.399 3.497 3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.227 2.022 3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.279 0.462 2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.380 1.556 3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 114 11.554 0.170 2.872 1.00 0.00 H new ATOM 1763 N ASN A 115 10.398 1.649 -1.101 1.00 0.00 N ATOM 1764 CA ASN A 115 10.452 1.855 -2.538 1.00 0.00 C ATOM 1765 C ASN A 115 11.832 1.475 -3.056 1.00 0.00 C ATOM 1766 O ASN A 115 11.965 0.870 -4.120 1.00 0.00 O ATOM 1767 CB ASN A 115 10.144 3.316 -2.882 1.00 0.00 C ATOM 1768 CG ASN A 115 10.254 3.606 -4.369 1.00 0.00 C ATOM 1769 OD1 ASN A 115 10.729 2.776 -5.143 1.00 0.00 O ATOM 1770 ND2 ASN A 115 9.810 4.791 -4.778 1.00 0.00 N ATOM 0 H ASN A 115 11.257 1.268 -0.704 1.00 0.00 H new ATOM 0 HA ASN A 115 9.702 1.224 -3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 115 9.137 3.560 -2.542 1.00 0.00 H new ATOM 0 HB3 ASN A 115 10.830 3.965 -2.338 1.00 0.00 H new ATOM 0 HD21 ASN A 115 9.856 5.040 -5.766 1.00 0.00 H new ATOM 0 HD22 ASN A 115 9.423 5.451 -4.104 1.00 0.00 H new ATOM 1777 N GLU A 116 12.857 1.835 -2.284 1.00 0.00 N ATOM 1778 CA GLU A 116 14.243 1.541 -2.635 1.00 0.00 C ATOM 1779 C GLU A 116 14.669 2.315 -3.879 1.00 0.00 C ATOM 1780 O GLU A 116 15.569 3.152 -3.820 1.00 0.00 O ATOM 1781 CB GLU A 116 14.435 0.037 -2.843 1.00 0.00 C ATOM 1782 CG GLU A 116 14.336 -0.762 -1.555 1.00 0.00 C ATOM 1783 CD GLU A 116 15.556 -0.595 -0.670 1.00 0.00 C ATOM 1784 OE1 GLU A 116 16.564 -1.293 -0.911 1.00 0.00 O ATOM 1785 OE2 GLU A 116 15.505 0.234 0.262 1.00 0.00 O ATOM 0 H GLU A 116 12.749 2.336 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 116 14.877 1.860 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.685 -0.325 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 116 15.410 -0.139 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.448 -0.450 -1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 116 14.208 -1.817 -1.795 1.00 0.00 H new ATOM 1792 N ASN A 117 14.014 2.040 -5.001 1.00 0.00 N ATOM 1793 CA ASN A 117 14.324 2.723 -6.251 1.00 0.00 C ATOM 1794 C ASN A 117 14.014 4.217 -6.153 1.00 0.00 C ATOM 1795 O ASN A 117 14.444 5.002 -6.999 1.00 0.00 O ATOM 1796 CB ASN A 117 13.535 2.099 -7.405 1.00 0.00 C ATOM 1797 CG ASN A 117 14.439 1.495 -8.463 1.00 0.00 C ATOM 1798 OD1 ASN A 117 14.965 0.397 -8.291 1.00 0.00 O ATOM 1799 ND2 ASN A 117 14.623 2.214 -9.564 1.00 0.00 N ATOM 0 H ASN A 117 13.266 1.350 -5.071 1.00 0.00 H new ATOM 0 HA ASN A 117 15.391 2.607 -6.443 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.873 1.327 -7.013 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.903 2.860 -7.862 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.221 1.860 -10.310 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.166 3.120 -9.663 1.00 0.00 H new ATOM 1806 N GLY A 118 13.266 4.609 -5.121 1.00 0.00 N ATOM 1807 CA GLY A 118 12.921 6.007 -4.951 1.00 0.00 C ATOM 1808 C GLY A 118 14.137 6.876 -4.698 1.00 0.00 C ATOM 1809 O GLY A 118 15.272 6.409 -4.791 1.00 0.00 O ATOM 0 H GLY A 118 12.896 3.984 -4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 118 12.404 6.362 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 118 12.226 6.108 -4.118 1.00 0.00 H new ATOM 1813 N ASN A 119 13.898 8.142 -4.376 1.00 0.00 N ATOM 1814 CA ASN A 119 14.982 9.081 -4.109 1.00 0.00 C ATOM 1815 C ASN A 119 15.330 9.096 -2.621 1.00 0.00 C ATOM 1816 O ASN A 119 14.532 8.674 -1.785 1.00 0.00 O ATOM 1817 CB ASN A 119 14.592 10.486 -4.571 1.00 0.00 C ATOM 1818 CG ASN A 119 13.404 11.037 -3.810 1.00 0.00 C ATOM 1819 OD1 ASN A 119 12.267 10.609 -4.014 1.00 0.00 O ATOM 1820 ND2 ASN A 119 13.659 11.996 -2.925 1.00 0.00 N ATOM 0 H ASN A 119 12.963 8.542 -4.293 1.00 0.00 H new ATOM 0 HA ASN A 119 15.861 8.756 -4.666 1.00 0.00 H new ATOM 0 HB2 ASN A 119 15.443 11.156 -4.445 1.00 0.00 H new ATOM 0 HB3 ASN A 119 14.359 10.463 -5.636 1.00 0.00 H new ATOM 0 HD21 ASN A 119 12.898 12.406 -2.384 1.00 0.00 H new ATOM 0 HD22 ASN A 119 14.616 12.321 -2.787 1.00 0.00 H new ATOM 1827 N PRO A 120 16.534 9.581 -2.270 1.00 0.00 N ATOM 1828 CA PRO A 120 16.993 9.646 -0.881 1.00 0.00 C ATOM 1829 C PRO A 120 16.351 10.796 -0.103 1.00 0.00 C ATOM 1830 O PRO A 120 17.046 11.601 0.516 1.00 0.00 O ATOM 1831 CB PRO A 120 18.513 9.866 -1.003 1.00 0.00 C ATOM 1832 CG PRO A 120 18.826 9.780 -2.464 1.00 0.00 C ATOM 1833 CD PRO A 120 17.552 10.096 -3.190 1.00 0.00 C ATOM 0 HA PRO A 120 16.724 8.744 -0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.800 10.837 -0.599 1.00 0.00 H new ATOM 0 HB3 PRO A 120 19.063 9.111 -0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 120 19.612 10.485 -2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 120 19.186 8.785 -2.726 1.00 0.00 H new ATOM 0 HD2 PRO A 120 17.438 11.166 -3.365 1.00 0.00 H new ATOM 0 HD3 PRO A 120 17.506 9.607 -4.163 1.00 0.00 H new ATOM 1841 N SER A 121 15.021 10.866 -0.135 1.00 0.00 N ATOM 1842 CA SER A 121 14.293 11.915 0.568 1.00 0.00 C ATOM 1843 C SER A 121 12.807 11.790 0.277 1.00 0.00 C ATOM 1844 O SER A 121 12.119 12.784 0.040 1.00 0.00 O ATOM 1845 CB SER A 121 14.793 13.297 0.142 1.00 0.00 C ATOM 1846 OG SER A 121 15.850 13.735 0.979 1.00 0.00 O ATOM 0 H SER A 121 14.428 10.208 -0.641 1.00 0.00 H new ATOM 0 HA SER A 121 14.464 11.801 1.639 1.00 0.00 H new ATOM 0 HB2 SER A 121 15.135 13.261 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 121 13.972 14.013 0.182 1.00 0.00 H new ATOM 0 HG SER A 121 16.443 12.981 1.179 1.00 0.00 H new ATOM 1852 N TYR A 122 12.320 10.556 0.277 1.00 0.00 N ATOM 1853 CA TYR A 122 10.921 10.293 -0.008 1.00 0.00 C ATOM 1854 C TYR A 122 10.601 8.811 0.166 1.00 0.00 C ATOM 1855 O TYR A 122 9.567 8.447 0.724 1.00 0.00 O ATOM 1856 CB TYR A 122 10.609 10.745 -1.434 1.00 0.00 C ATOM 1857 CG TYR A 122 9.707 11.957 -1.502 1.00 0.00 C ATOM 1858 CD1 TYR A 122 8.466 11.961 -0.878 1.00 0.00 C ATOM 1859 CD2 TYR A 122 10.100 13.098 -2.188 1.00 0.00 C ATOM 1860 CE1 TYR A 122 7.642 13.068 -0.937 1.00 0.00 C ATOM 1861 CE2 TYR A 122 9.282 14.211 -2.250 1.00 0.00 C ATOM 1862 CZ TYR A 122 8.054 14.190 -1.623 1.00 0.00 C ATOM 1863 OH TYR A 122 7.237 15.295 -1.683 1.00 0.00 O ATOM 0 H TYR A 122 12.876 9.723 0.472 1.00 0.00 H new ATOM 0 HA TYR A 122 10.301 10.850 0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 122 11.544 10.969 -1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 122 10.139 9.922 -1.972 1.00 0.00 H new ATOM 0 HD1 TYR A 122 8.140 11.084 -0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.061 13.117 -2.681 1.00 0.00 H new ATOM 0 HE1 TYR A 122 6.679 13.054 -0.448 1.00 0.00 H new ATOM 0 HE2 TYR A 122 9.603 15.092 -2.786 1.00 0.00 H new ATOM 0 HH TYR A 122 7.677 15.999 -2.203 1.00 0.00 H new ATOM 1873 N LYS A 123 11.507 7.962 -0.311 1.00 0.00 N ATOM 1874 CA LYS A 123 11.351 6.511 -0.211 1.00 0.00 C ATOM 1875 C LYS A 123 9.953 6.052 -0.645 1.00 0.00 C ATOM 1876 O LYS A 123 9.731 5.748 -1.815 1.00 0.00 O ATOM 1877 CB LYS A 123 11.647 6.050 1.221 1.00 0.00 C ATOM 1878 CG LYS A 123 13.092 5.627 1.450 1.00 0.00 C ATOM 1879 CD LYS A 123 13.561 4.629 0.401 1.00 0.00 C ATOM 1880 CE LYS A 123 14.440 5.294 -0.647 1.00 0.00 C ATOM 1881 NZ LYS A 123 14.440 4.543 -1.931 1.00 0.00 N ATOM 0 H LYS A 123 12.366 8.257 -0.776 1.00 0.00 H new ATOM 0 HA LYS A 123 12.067 6.052 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 123 11.403 6.859 1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 123 10.992 5.214 1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 123 13.736 6.506 1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 123 13.189 5.185 2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 123 14.115 3.824 0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 123 12.696 4.175 -0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.090 6.311 -0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 123 15.460 5.369 -0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 14.518 5.211 -2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 15.247 3.888 -1.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 13.555 4.004 -2.018 1.00 0.00 H new ATOM 1895 N TYR A 124 9.018 5.997 0.305 1.00 0.00 N ATOM 1896 CA TYR A 124 7.644 5.565 0.034 1.00 0.00 C ATOM 1897 C TYR A 124 6.986 6.318 -1.134 1.00 0.00 C ATOM 1898 O TYR A 124 5.842 6.020 -1.499 1.00 0.00 O ATOM 1899 CB TYR A 124 6.800 5.743 1.289 1.00 0.00 C ATOM 1900 CG TYR A 124 6.998 4.658 2.323 1.00 0.00 C ATOM 1901 CD1 TYR A 124 6.528 3.369 2.113 1.00 0.00 C ATOM 1902 CD2 TYR A 124 7.641 4.933 3.520 1.00 0.00 C ATOM 1903 CE1 TYR A 124 6.691 2.387 3.069 1.00 0.00 C ATOM 1904 CE2 TYR A 124 7.815 3.956 4.477 1.00 0.00 C ATOM 1905 CZ TYR A 124 7.338 2.684 4.248 1.00 0.00 C ATOM 1906 OH TYR A 124 7.502 1.707 5.200 1.00 0.00 O ATOM 0 H TYR A 124 9.189 6.249 1.278 1.00 0.00 H new ATOM 0 HA TYR A 124 7.696 4.516 -0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 124 7.036 6.707 1.739 1.00 0.00 H new ATOM 0 HB3 TYR A 124 5.748 5.773 1.006 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.027 3.131 1.187 1.00 0.00 H new ATOM 0 HD2 TYR A 124 8.012 5.930 3.706 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.313 1.391 2.893 1.00 0.00 H new ATOM 0 HE2 TYR A 124 8.323 4.187 5.402 1.00 0.00 H new ATOM 0 HH TYR A 124 7.029 0.895 4.921 1.00 0.00 H new ATOM 1916 N PHE A 125 7.691 7.285 -1.716 1.00 0.00 N ATOM 1917 CA PHE A 125 7.158 8.051 -2.835 1.00 0.00 C ATOM 1918 C PHE A 125 7.398 7.317 -4.149 1.00 0.00 C ATOM 1919 O PHE A 125 8.543 7.129 -4.563 1.00 0.00 O ATOM 1920 CB PHE A 125 7.809 9.432 -2.895 1.00 0.00 C ATOM 1921 CG PHE A 125 7.110 10.384 -3.822 1.00 0.00 C ATOM 1922 CD1 PHE A 125 5.750 10.605 -3.705 1.00 0.00 C ATOM 1923 CD2 PHE A 125 7.813 11.056 -4.809 1.00 0.00 C ATOM 1924 CE1 PHE A 125 5.099 11.479 -4.553 1.00 0.00 C ATOM 1925 CE2 PHE A 125 7.168 11.932 -5.662 1.00 0.00 C ATOM 1926 CZ PHE A 125 5.810 12.144 -5.534 1.00 0.00 C ATOM 0 H PHE A 125 8.632 7.555 -1.430 1.00 0.00 H new ATOM 0 HA PHE A 125 6.085 8.168 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 125 7.827 9.860 -1.893 1.00 0.00 H new ATOM 0 HB3 PHE A 125 8.846 9.323 -3.213 1.00 0.00 H new ATOM 0 HD1 PHE A 125 5.190 10.087 -2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 125 8.876 10.894 -4.913 1.00 0.00 H new ATOM 0 HE1 PHE A 125 4.036 11.643 -4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 125 7.726 12.450 -6.428 1.00 0.00 H new ATOM 0 HZ PHE A 125 5.304 12.828 -6.199 1.00 0.00 H new ATOM 1936 N TYR A 126 6.319 6.906 -4.806 1.00 0.00 N ATOM 1937 CA TYR A 126 6.425 6.196 -6.073 1.00 0.00 C ATOM 1938 C TYR A 126 5.901 7.054 -7.219 1.00 0.00 C ATOM 1939 O TYR A 126 4.758 6.904 -7.652 1.00 0.00 O ATOM 1940 CB TYR A 126 5.661 4.873 -6.008 1.00 0.00 C ATOM 1941 CG TYR A 126 6.538 3.684 -5.679 1.00 0.00 C ATOM 1942 CD1 TYR A 126 6.820 3.348 -4.361 1.00 0.00 C ATOM 1943 CD2 TYR A 126 7.080 2.899 -6.685 1.00 0.00 C ATOM 1944 CE1 TYR A 126 7.618 2.261 -4.058 1.00 0.00 C ATOM 1945 CE2 TYR A 126 7.880 1.812 -6.389 1.00 0.00 C ATOM 1946 CZ TYR A 126 8.145 1.497 -5.077 1.00 0.00 C ATOM 1947 OH TYR A 126 8.937 0.410 -4.784 1.00 0.00 O ATOM 0 H TYR A 126 5.363 7.052 -4.482 1.00 0.00 H new ATOM 0 HA TYR A 126 7.478 5.983 -6.258 1.00 0.00 H new ATOM 0 HB2 TYR A 126 4.875 4.953 -5.257 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.171 4.699 -6.966 1.00 0.00 H new ATOM 0 HD1 TYR A 126 6.409 3.945 -3.561 1.00 0.00 H new ATOM 0 HD2 TYR A 126 6.874 3.141 -7.717 1.00 0.00 H new ATOM 0 HE1 TYR A 126 7.828 2.012 -3.028 1.00 0.00 H new ATOM 0 HE2 TYR A 126 8.296 1.212 -7.185 1.00 0.00 H new ATOM 0 HH TYR A 126 9.225 -0.019 -5.617 1.00 0.00 H new ATOM 1957 N VAL A 127 6.748 7.954 -7.703 1.00 0.00 N ATOM 1958 CA VAL A 127 6.386 8.843 -8.798 1.00 0.00 C ATOM 1959 C VAL A 127 6.652 8.176 -10.143 1.00 0.00 C ATOM 1960 O VAL A 127 7.440 8.666 -10.951 1.00 0.00 O ATOM 1961 CB VAL A 127 7.164 10.171 -8.717 1.00 0.00 C ATOM 1962 CG1 VAL A 127 8.663 9.927 -8.828 1.00 0.00 C ATOM 1963 CG2 VAL A 127 6.691 11.139 -9.788 1.00 0.00 C ATOM 0 H VAL A 127 7.696 8.087 -7.351 1.00 0.00 H new ATOM 0 HA VAL A 127 5.321 9.057 -8.709 1.00 0.00 H new ATOM 0 HB VAL A 127 6.967 10.622 -7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.192 10.878 -8.768 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.988 9.280 -8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 127 8.884 9.448 -9.782 1.00 0.00 H new ATOM 0 HG21 VAL A 127 7.254 12.069 -9.712 1.00 0.00 H new ATOM 0 HG22 VAL A 127 6.850 10.698 -10.772 1.00 0.00 H new ATOM 0 HG23 VAL A 127 5.630 11.345 -9.649 1.00 0.00 H new ATOM 1973 N SER A 128 5.986 7.048 -10.369 1.00 0.00 N ATOM 1974 CA SER A 128 6.139 6.290 -11.611 1.00 0.00 C ATOM 1975 C SER A 128 5.485 4.913 -11.499 1.00 0.00 C ATOM 1976 O SER A 128 5.794 4.140 -10.595 1.00 0.00 O ATOM 1977 CB SER A 128 7.621 6.130 -11.964 1.00 0.00 C ATOM 1978 OG SER A 128 8.049 7.157 -12.842 1.00 0.00 O ATOM 0 H SER A 128 5.331 6.635 -9.705 1.00 0.00 H new ATOM 0 HA SER A 128 5.641 6.848 -12.404 1.00 0.00 H new ATOM 0 HB2 SER A 128 8.220 6.153 -11.053 1.00 0.00 H new ATOM 0 HB3 SER A 128 7.785 5.158 -12.429 1.00 0.00 H new ATOM 0 HG SER A 128 8.070 8.011 -12.361 1.00 0.00 H new ATOM 1984 N ALA A 129 4.584 4.611 -12.428 1.00 0.00 N ATOM 1985 CA ALA A 129 3.893 3.325 -12.439 1.00 0.00 C ATOM 1986 C ALA A 129 4.857 2.178 -12.728 1.00 0.00 C ATOM 1987 O ALA A 129 4.599 1.032 -12.362 1.00 0.00 O ATOM 1988 CB ALA A 129 2.774 3.338 -13.468 1.00 0.00 C ATOM 0 H ALA A 129 4.314 5.240 -13.184 1.00 0.00 H new ATOM 0 HA ALA A 129 3.467 3.166 -11.448 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.267 2.373 -13.466 1.00 0.00 H new ATOM 0 HB2 ALA A 129 2.060 4.124 -13.220 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.191 3.526 -14.457 1.00 0.00 H new ATOM 1994 N GLU A 130 5.963 2.490 -13.399 1.00 0.00 N ATOM 1995 CA GLU A 130 6.960 1.484 -13.753 1.00 0.00 C ATOM 1996 C GLU A 130 7.683 0.948 -12.519 1.00 0.00 C ATOM 1997 O GLU A 130 8.065 -0.223 -12.469 1.00 0.00 O ATOM 1998 CB GLU A 130 7.976 2.068 -14.737 1.00 0.00 C ATOM 1999 CG GLU A 130 8.634 3.346 -14.244 1.00 0.00 C ATOM 2000 CD GLU A 130 10.132 3.354 -14.476 1.00 0.00 C ATOM 2001 OE1 GLU A 130 10.552 3.416 -15.651 1.00 0.00 O ATOM 2002 OE2 GLU A 130 10.886 3.301 -13.481 1.00 0.00 O ATOM 0 H GLU A 130 6.191 3.434 -13.709 1.00 0.00 H new ATOM 0 HA GLU A 130 6.435 0.653 -14.224 1.00 0.00 H new ATOM 0 HB2 GLU A 130 8.748 1.324 -14.934 1.00 0.00 H new ATOM 0 HB3 GLU A 130 7.477 2.268 -15.685 1.00 0.00 H new ATOM 0 HG2 GLU A 130 8.186 4.201 -14.751 1.00 0.00 H new ATOM 0 HG3 GLU A 130 8.434 3.467 -13.179 1.00 0.00 H new ATOM 2009 N GLN A 131 7.879 1.796 -11.521 1.00 0.00 N ATOM 2010 CA GLN A 131 8.564 1.355 -10.316 1.00 0.00 C ATOM 2011 C GLN A 131 7.612 0.628 -9.377 1.00 0.00 C ATOM 2012 O GLN A 131 7.887 -0.489 -8.948 1.00 0.00 O ATOM 2013 CB GLN A 131 9.236 2.509 -9.578 1.00 0.00 C ATOM 2014 CG GLN A 131 8.523 3.847 -9.702 1.00 0.00 C ATOM 2015 CD GLN A 131 9.181 4.933 -8.875 1.00 0.00 C ATOM 2016 OE1 GLN A 131 10.361 4.841 -8.536 1.00 0.00 O ATOM 2017 NE2 GLN A 131 8.421 5.970 -8.544 1.00 0.00 N ATOM 0 H GLN A 131 7.581 2.772 -11.519 1.00 0.00 H new ATOM 0 HA GLN A 131 9.343 0.664 -10.639 1.00 0.00 H new ATOM 0 HB2 GLN A 131 9.313 2.251 -8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.253 2.619 -9.954 1.00 0.00 H new ATOM 0 HG2 GLN A 131 8.507 4.151 -10.749 1.00 0.00 H new ATOM 0 HG3 GLN A 131 7.486 3.733 -9.387 1.00 0.00 H new ATOM 0 HE21 GLN A 131 7.447 6.006 -8.846 1.00 0.00 H new ATOM 0 HE22 GLN A 131 8.811 6.731 -7.988 1.00 0.00 H new ATOM 2026 N VAL A 132 6.487 1.259 -9.057 1.00 0.00 N ATOM 2027 CA VAL A 132 5.507 0.640 -8.167 1.00 0.00 C ATOM 2028 C VAL A 132 5.192 -0.776 -8.635 1.00 0.00 C ATOM 2029 O VAL A 132 4.836 -1.639 -7.831 1.00 0.00 O ATOM 2030 CB VAL A 132 4.209 1.473 -8.054 1.00 0.00 C ATOM 2031 CG1 VAL A 132 3.803 2.039 -9.402 1.00 0.00 C ATOM 2032 CG2 VAL A 132 3.079 0.652 -7.446 1.00 0.00 C ATOM 0 H VAL A 132 6.232 2.187 -9.395 1.00 0.00 H new ATOM 0 HA VAL A 132 5.950 0.601 -7.172 1.00 0.00 H new ATOM 0 HB VAL A 132 4.411 2.310 -7.386 1.00 0.00 H new ATOM 0 HG11 VAL A 132 2.887 2.620 -9.292 1.00 0.00 H new ATOM 0 HG12 VAL A 132 4.597 2.682 -9.781 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.632 1.222 -10.103 1.00 0.00 H new ATOM 0 HG21 VAL A 132 2.180 1.264 -7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 132 2.881 -0.216 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 132 3.367 0.320 -6.449 1.00 0.00 H new ATOM 2042 N VAL A 133 5.356 -1.022 -9.933 1.00 0.00 N ATOM 2043 CA VAL A 133 5.119 -2.348 -10.477 1.00 0.00 C ATOM 2044 C VAL A 133 6.329 -3.237 -10.228 1.00 0.00 C ATOM 2045 O VAL A 133 6.186 -4.442 -10.044 1.00 0.00 O ATOM 2046 CB VAL A 133 4.806 -2.329 -11.984 1.00 0.00 C ATOM 2047 CG1 VAL A 133 5.970 -1.758 -12.768 1.00 0.00 C ATOM 2048 CG2 VAL A 133 4.477 -3.732 -12.469 1.00 0.00 C ATOM 0 H VAL A 133 5.649 -0.325 -10.618 1.00 0.00 H new ATOM 0 HA VAL A 133 4.242 -2.744 -9.965 1.00 0.00 H new ATOM 0 HB VAL A 133 3.939 -1.688 -12.148 1.00 0.00 H new ATOM 0 HG11 VAL A 133 5.726 -1.754 -13.830 1.00 0.00 H new ATOM 0 HG12 VAL A 133 6.166 -0.738 -12.437 1.00 0.00 H new ATOM 0 HG13 VAL A 133 6.856 -2.370 -12.601 1.00 0.00 H new ATOM 0 HG21 VAL A 133 4.257 -3.706 -13.536 1.00 0.00 H new ATOM 0 HG22 VAL A 133 5.329 -4.388 -12.290 1.00 0.00 H new ATOM 0 HG23 VAL A 133 3.609 -4.109 -11.929 1.00 0.00 H new ATOM 2058 N GLN A 134 7.528 -2.643 -10.210 1.00 0.00 N ATOM 2059 CA GLN A 134 8.733 -3.424 -9.956 1.00 0.00 C ATOM 2060 C GLN A 134 8.749 -3.856 -8.495 1.00 0.00 C ATOM 2061 O GLN A 134 9.136 -4.979 -8.162 1.00 0.00 O ATOM 2062 CB GLN A 134 9.996 -2.625 -10.314 1.00 0.00 C ATOM 2063 CG GLN A 134 10.383 -1.566 -9.293 1.00 0.00 C ATOM 2064 CD GLN A 134 11.879 -1.331 -9.237 1.00 0.00 C ATOM 2065 OE1 GLN A 134 12.541 -1.701 -8.268 1.00 0.00 O ATOM 2066 NE2 GLN A 134 12.420 -0.713 -10.281 1.00 0.00 N ATOM 0 H GLN A 134 7.684 -1.647 -10.365 1.00 0.00 H new ATOM 0 HA GLN A 134 8.726 -4.311 -10.590 1.00 0.00 H new ATOM 0 HB2 GLN A 134 10.828 -3.319 -10.432 1.00 0.00 H new ATOM 0 HB3 GLN A 134 9.844 -2.142 -11.279 1.00 0.00 H new ATOM 0 HG2 GLN A 134 9.881 -0.630 -9.537 1.00 0.00 H new ATOM 0 HG3 GLN A 134 10.029 -1.870 -8.308 1.00 0.00 H new ATOM 0 HE21 GLN A 134 11.833 -0.424 -11.063 1.00 0.00 H new ATOM 0 HE22 GLN A 134 13.423 -0.528 -10.301 1.00 0.00 H new ATOM 2075 N GLY A 135 8.285 -2.962 -7.631 1.00 0.00 N ATOM 2076 CA GLY A 135 8.210 -3.265 -6.220 1.00 0.00 C ATOM 2077 C GLY A 135 6.995 -4.113 -5.922 1.00 0.00 C ATOM 2078 O GLY A 135 6.951 -4.829 -4.922 1.00 0.00 O ATOM 0 H GLY A 135 7.959 -2.030 -7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 135 9.112 -3.790 -5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 135 8.164 -2.340 -5.646 1.00 0.00 H new ATOM 2082 N MET A 136 6.011 -4.044 -6.818 1.00 0.00 N ATOM 2083 CA MET A 136 4.790 -4.819 -6.679 1.00 0.00 C ATOM 2084 C MET A 136 5.046 -6.253 -7.124 1.00 0.00 C ATOM 2085 O MET A 136 4.553 -7.209 -6.525 1.00 0.00 O ATOM 2086 CB MET A 136 3.678 -4.180 -7.519 1.00 0.00 C ATOM 2087 CG MET A 136 2.405 -5.004 -7.609 1.00 0.00 C ATOM 2088 SD MET A 136 1.315 -4.448 -8.931 1.00 0.00 S ATOM 2089 CE MET A 136 1.887 -5.464 -10.290 1.00 0.00 C ATOM 0 H MET A 136 6.041 -3.455 -7.650 1.00 0.00 H new ATOM 0 HA MET A 136 4.474 -4.829 -5.636 1.00 0.00 H new ATOM 0 HB2 MET A 136 3.436 -3.205 -7.097 1.00 0.00 H new ATOM 0 HB3 MET A 136 4.055 -4.006 -8.527 1.00 0.00 H new ATOM 0 HG2 MET A 136 2.664 -6.050 -7.772 1.00 0.00 H new ATOM 0 HG3 MET A 136 1.874 -4.951 -6.658 1.00 0.00 H new ATOM 0 HE1 MET A 136 1.537 -5.042 -11.232 1.00 0.00 H new ATOM 0 HE2 MET A 136 2.977 -5.494 -10.289 1.00 0.00 H new ATOM 0 HE3 MET A 136 1.496 -6.475 -10.178 1.00 0.00 H new ATOM 2099 N LYS A 137 5.845 -6.378 -8.175 1.00 0.00 N ATOM 2100 CA LYS A 137 6.211 -7.671 -8.727 1.00 0.00 C ATOM 2101 C LYS A 137 7.294 -8.339 -7.879 1.00 0.00 C ATOM 2102 O LYS A 137 7.559 -9.531 -8.021 1.00 0.00 O ATOM 2103 CB LYS A 137 6.668 -7.519 -10.180 1.00 0.00 C ATOM 2104 CG LYS A 137 7.943 -6.718 -10.359 1.00 0.00 C ATOM 2105 CD LYS A 137 8.081 -6.196 -11.787 1.00 0.00 C ATOM 2106 CE LYS A 137 7.772 -7.268 -12.824 1.00 0.00 C ATOM 2107 NZ LYS A 137 8.841 -8.303 -12.889 1.00 0.00 N ATOM 0 H LYS A 137 6.256 -5.585 -8.667 1.00 0.00 H new ATOM 0 HA LYS A 137 5.332 -8.315 -8.710 1.00 0.00 H new ATOM 0 HB2 LYS A 137 6.815 -8.511 -10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 137 5.871 -7.041 -10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 137 7.948 -5.880 -9.662 1.00 0.00 H new ATOM 0 HG3 LYS A 137 8.803 -7.341 -10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 137 7.408 -5.350 -11.930 1.00 0.00 H new ATOM 0 HD3 LYS A 137 9.095 -5.826 -11.940 1.00 0.00 H new ATOM 0 HE2 LYS A 137 6.821 -7.743 -12.583 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.657 -6.803 -13.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.593 -9.014 -13.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 9.744 -7.854 -13.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 8.934 -8.765 -11.962 1.00 0.00 H new ATOM 2121 N GLU A 138 7.906 -7.561 -6.986 1.00 0.00 N ATOM 2122 CA GLU A 138 8.950 -8.074 -6.103 1.00 0.00 C ATOM 2123 C GLU A 138 8.369 -8.418 -4.738 1.00 0.00 C ATOM 2124 O GLU A 138 8.369 -9.576 -4.323 1.00 0.00 O ATOM 2125 CB GLU A 138 10.075 -7.049 -5.949 1.00 0.00 C ATOM 2126 CG GLU A 138 11.358 -7.448 -6.660 1.00 0.00 C ATOM 2127 CD GLU A 138 12.580 -6.753 -6.089 1.00 0.00 C ATOM 2128 OE1 GLU A 138 13.100 -7.224 -5.056 1.00 0.00 O ATOM 2129 OE2 GLU A 138 13.014 -5.739 -6.673 1.00 0.00 O ATOM 0 H GLU A 138 7.695 -6.572 -6.856 1.00 0.00 H new ATOM 0 HA GLU A 138 9.361 -8.979 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 138 9.737 -6.088 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 138 10.285 -6.908 -4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 138 11.490 -8.527 -6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 138 11.271 -7.210 -7.720 1.00 0.00 H new ATOM 2136 N ALA A 139 7.867 -7.399 -4.047 1.00 0.00 N ATOM 2137 CA ALA A 139 7.269 -7.583 -2.728 1.00 0.00 C ATOM 2138 C ALA A 139 6.263 -8.724 -2.745 1.00 0.00 C ATOM 2139 O ALA A 139 6.044 -9.395 -1.737 1.00 0.00 O ATOM 2140 CB ALA A 139 6.591 -6.301 -2.268 1.00 0.00 C ATOM 0 H ALA A 139 7.862 -6.435 -4.379 1.00 0.00 H new ATOM 0 HA ALA A 139 8.066 -7.833 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 139 6.150 -6.456 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 139 7.327 -5.499 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 139 5.809 -6.029 -2.977 1.00 0.00 H new ATOM 2146 N GLN A 140 5.647 -8.929 -3.903 1.00 0.00 N ATOM 2147 CA GLN A 140 4.654 -9.973 -4.071 1.00 0.00 C ATOM 2148 C GLN A 140 5.214 -11.362 -3.758 1.00 0.00 C ATOM 2149 O GLN A 140 4.453 -12.316 -3.604 1.00 0.00 O ATOM 2150 CB GLN A 140 4.119 -9.954 -5.497 1.00 0.00 C ATOM 2151 CG GLN A 140 5.206 -9.991 -6.553 1.00 0.00 C ATOM 2152 CD GLN A 140 5.789 -11.377 -6.745 1.00 0.00 C ATOM 2153 OE1 GLN A 140 7.002 -11.567 -6.674 1.00 0.00 O ATOM 2154 NE2 GLN A 140 4.924 -12.354 -6.993 1.00 0.00 N ATOM 0 H GLN A 140 5.823 -8.379 -4.744 1.00 0.00 H new ATOM 0 HA GLN A 140 3.850 -9.771 -3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 140 3.457 -10.808 -5.639 1.00 0.00 H new ATOM 0 HB3 GLN A 140 3.517 -9.056 -5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.798 -9.638 -7.500 1.00 0.00 H new ATOM 0 HG3 GLN A 140 6.003 -9.302 -6.273 1.00 0.00 H new ATOM 0 HE21 GLN A 140 3.926 -12.151 -7.043 1.00 0.00 H new ATOM 0 HE22 GLN A 140 5.258 -13.307 -7.133 1.00 0.00 H new ATOM 2163 N GLU A 141 6.538 -11.483 -3.688 1.00 0.00 N ATOM 2164 CA GLU A 141 7.168 -12.773 -3.417 1.00 0.00 C ATOM 2165 C GLU A 141 7.611 -12.901 -1.959 1.00 0.00 C ATOM 2166 O GLU A 141 7.450 -13.958 -1.347 1.00 0.00 O ATOM 2167 CB GLU A 141 8.371 -12.970 -4.345 1.00 0.00 C ATOM 2168 CG GLU A 141 9.188 -14.217 -4.036 1.00 0.00 C ATOM 2169 CD GLU A 141 9.954 -14.726 -5.240 1.00 0.00 C ATOM 2170 OE1 GLU A 141 9.372 -15.498 -6.032 1.00 0.00 O ATOM 2171 OE2 GLU A 141 11.136 -14.352 -5.393 1.00 0.00 O ATOM 0 H GLU A 141 7.191 -10.710 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 141 6.424 -13.548 -3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.018 -13.024 -5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 141 9.019 -12.096 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.889 -13.997 -3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.523 -15.002 -3.675 1.00 0.00 H new ATOM 2178 N ARG A 142 8.185 -11.837 -1.414 1.00 0.00 N ATOM 2179 CA ARG A 142 8.669 -11.853 -0.036 1.00 0.00 C ATOM 2180 C ARG A 142 7.541 -11.624 0.967 1.00 0.00 C ATOM 2181 O ARG A 142 7.417 -12.351 1.952 1.00 0.00 O ATOM 2182 CB ARG A 142 9.756 -10.795 0.150 1.00 0.00 C ATOM 2183 CG ARG A 142 10.865 -10.877 -0.885 1.00 0.00 C ATOM 2184 CD ARG A 142 11.282 -9.497 -1.370 1.00 0.00 C ATOM 2185 NE ARG A 142 12.590 -9.517 -2.018 1.00 0.00 N ATOM 2186 CZ ARG A 142 13.336 -8.433 -2.219 1.00 0.00 C ATOM 2187 NH1 ARG A 142 12.904 -7.240 -1.828 1.00 0.00 N ATOM 2188 NH2 ARG A 142 14.516 -8.541 -2.813 1.00 0.00 N ATOM 0 H ARG A 142 8.328 -10.953 -1.902 1.00 0.00 H new ATOM 0 HA ARG A 142 9.085 -12.842 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.300 -9.806 0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 142 10.189 -10.902 1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 142 11.727 -11.388 -0.456 1.00 0.00 H new ATOM 0 HG3 ARG A 142 10.529 -11.475 -1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.537 -9.118 -2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.306 -8.808 -0.526 1.00 0.00 H new ATOM 0 HE ARG A 142 12.954 -10.415 -2.336 1.00 0.00 H new ATOM 0 HH11 ARG A 142 11.996 -7.151 -1.371 1.00 0.00 H new ATOM 0 HH12 ARG A 142 13.480 -6.413 -1.984 1.00 0.00 H new ATOM 0 HH21 ARG A 142 14.853 -9.455 -3.116 1.00 0.00 H new ATOM 0 HH22 ARG A 142 15.087 -7.710 -2.967 1.00 0.00 H new ATOM 2202 N LEU A 143 6.730 -10.605 0.718 1.00 0.00 N ATOM 2203 CA LEU A 143 5.623 -10.271 1.609 1.00 0.00 C ATOM 2204 C LEU A 143 4.564 -11.375 1.647 1.00 0.00 C ATOM 2205 O LEU A 143 3.700 -11.378 2.525 1.00 0.00 O ATOM 2206 CB LEU A 143 4.985 -8.950 1.184 1.00 0.00 C ATOM 2207 CG LEU A 143 5.798 -7.703 1.528 1.00 0.00 C ATOM 2208 CD1 LEU A 143 5.983 -7.580 3.034 1.00 0.00 C ATOM 2209 CD2 LEU A 143 7.146 -7.741 0.824 1.00 0.00 C ATOM 0 H LEU A 143 6.816 -9.994 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 143 6.032 -10.172 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 143 4.820 -8.973 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 143 4.005 -8.868 1.655 1.00 0.00 H new ATOM 0 HG LEU A 143 5.250 -6.827 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 143 6.565 -6.686 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 143 5.008 -7.508 3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 143 6.509 -8.458 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 143 7.715 -6.846 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 143 7.698 -8.625 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 143 6.992 -7.779 -0.254 1.00 0.00 H new ATOM 2221 N THR A 144 4.625 -12.305 0.691 1.00 0.00 N ATOM 2222 CA THR A 144 3.668 -13.405 0.615 1.00 0.00 C ATOM 2223 C THR A 144 3.310 -13.958 1.997 1.00 0.00 C ATOM 2224 O THR A 144 2.309 -13.562 2.590 1.00 0.00 O ATOM 2225 CB THR A 144 4.222 -14.518 -0.265 1.00 0.00 C ATOM 2226 OG1 THR A 144 5.580 -14.781 0.046 1.00 0.00 O ATOM 2227 CG2 THR A 144 4.137 -14.215 -1.744 1.00 0.00 C ATOM 0 H THR A 144 5.332 -12.315 -0.044 1.00 0.00 H new ATOM 0 HA THR A 144 2.752 -13.010 0.175 1.00 0.00 H new ATOM 0 HB THR A 144 3.596 -15.385 -0.054 1.00 0.00 H new ATOM 0 HG1 THR A 144 6.155 -14.395 -0.647 1.00 0.00 H new ATOM 0 HG21 THR A 144 4.549 -15.050 -2.311 1.00 0.00 H new ATOM 0 HG22 THR A 144 3.095 -14.065 -2.025 1.00 0.00 H new ATOM 0 HG23 THR A 144 4.706 -13.312 -1.964 1.00 0.00 H new