USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 444 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 NoAdj-H: A 440 HIS HE2 : A 440 HIS NE2 : A 447 ZNZN :(H bumps) USER MOD NoAdj-H: A 444 HIS HE2 : A 444 HIS NE2 : A 447 ZNZN :(H bumps) USER MOD Single : A 390 SER OG : rot 180:sc= 0 USER MOD Single : A 393 SER OG : rot 180:sc= 0 USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 CYS SG : rot 180:sc= 0 USER MOD Single : A 400 CYS SG : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 CYS SG : rot 180:sc= 0.0261 USER MOD Single : A 408 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 409 THR OG1 : rot 180:sc= 0 USER MOD Single : A 412 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 413 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 415 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 416 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 419 CYS SG : rot 180:sc= -1.46 USER MOD Single : A 421 ASN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 434 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.019) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 445 SER OG : rot 70:sc= 0.00851 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 390 -14.286 -22.063 -20.673 1.00 0.00 N ATOM 2 CA SER A 390 -13.501 -20.804 -20.574 1.00 0.00 C ATOM 3 C SER A 390 -12.457 -20.715 -21.684 1.00 0.00 C ATOM 4 O SER A 390 -11.330 -21.183 -21.526 1.00 0.00 O ATOM 5 CB SER A 390 -12.819 -20.763 -19.205 1.00 0.00 C ATOM 6 OG SER A 390 -12.472 -19.436 -18.847 1.00 0.00 O ATOM 0 HA SER A 390 -14.173 -19.953 -20.687 1.00 0.00 H new ATOM 0 HB2 SER A 390 -13.484 -21.184 -18.451 1.00 0.00 H new ATOM 0 HB3 SER A 390 -11.923 -21.384 -19.223 1.00 0.00 H new ATOM 0 HG SER A 390 -12.039 -19.437 -17.968 1.00 0.00 H new ATOM 14 N PRO A 391 -12.821 -20.110 -22.829 1.00 0.00 N ATOM 15 CA PRO A 391 -11.908 -19.963 -23.969 1.00 0.00 C ATOM 16 C PRO A 391 -10.567 -19.360 -23.562 1.00 0.00 C ATOM 17 O PRO A 391 -10.509 -18.254 -23.026 1.00 0.00 O ATOM 18 CB PRO A 391 -12.659 -19.013 -24.904 1.00 0.00 C ATOM 19 CG PRO A 391 -14.098 -19.218 -24.576 1.00 0.00 C ATOM 20 CD PRO A 391 -14.147 -19.524 -23.103 1.00 0.00 C ATOM 0 HA PRO A 391 -11.663 -20.923 -24.422 1.00 0.00 H new ATOM 0 HB2 PRO A 391 -12.359 -17.978 -24.741 1.00 0.00 H new ATOM 0 HB3 PRO A 391 -12.455 -19.243 -25.950 1.00 0.00 H new ATOM 0 HG2 PRO A 391 -14.682 -18.328 -24.809 1.00 0.00 H new ATOM 0 HG3 PRO A 391 -14.518 -20.037 -25.159 1.00 0.00 H new ATOM 0 HD2 PRO A 391 -14.318 -18.625 -22.512 1.00 0.00 H new ATOM 0 HD3 PRO A 391 -14.951 -20.220 -22.864 1.00 0.00 H new ATOM 28 N LEU A 392 -9.491 -20.096 -23.821 1.00 0.00 N ATOM 29 CA LEU A 392 -8.150 -19.637 -23.483 1.00 0.00 C ATOM 30 C LEU A 392 -8.013 -19.416 -21.980 1.00 0.00 C ATOM 31 O LEU A 392 -9.002 -19.190 -21.283 1.00 0.00 O ATOM 32 CB LEU A 392 -7.827 -18.342 -24.231 1.00 0.00 C ATOM 33 CG LEU A 392 -7.314 -18.531 -25.660 1.00 0.00 C ATOM 34 CD1 LEU A 392 -6.099 -19.445 -25.674 1.00 0.00 C ATOM 35 CD2 LEU A 392 -8.414 -19.090 -26.550 1.00 0.00 C ATOM 0 H LEU A 392 -9.523 -21.014 -24.265 1.00 0.00 H new ATOM 0 HA LEU A 392 -7.443 -20.409 -23.785 1.00 0.00 H new ATOM 0 HB2 LEU A 392 -8.725 -17.725 -24.262 1.00 0.00 H new ATOM 0 HB3 LEU A 392 -7.079 -17.789 -23.663 1.00 0.00 H new ATOM 0 HG LEU A 392 -7.016 -17.558 -26.051 1.00 0.00 H new ATOM 0 HD11 LEU A 392 -5.748 -19.568 -26.699 1.00 0.00 H new ATOM 0 HD12 LEU A 392 -5.306 -19.005 -25.069 1.00 0.00 H new ATOM 0 HD13 LEU A 392 -6.371 -20.418 -25.264 1.00 0.00 H new ATOM 0 HD21 LEU A 392 -8.032 -19.218 -27.563 1.00 0.00 H new ATOM 0 HD22 LEU A 392 -8.742 -20.054 -26.161 1.00 0.00 H new ATOM 0 HD23 LEU A 392 -9.257 -18.399 -26.565 1.00 0.00 H new ATOM 47 N SER A 393 -6.781 -19.484 -21.485 1.00 0.00 N ATOM 48 CA SER A 393 -6.516 -19.292 -20.064 1.00 0.00 C ATOM 49 C SER A 393 -5.668 -18.045 -19.832 1.00 0.00 C ATOM 50 O SER A 393 -5.287 -17.358 -20.780 1.00 0.00 O ATOM 51 CB SER A 393 -5.808 -20.519 -19.486 1.00 0.00 C ATOM 52 OG SER A 393 -4.681 -20.874 -20.267 1.00 0.00 O ATOM 0 H SER A 393 -5.951 -19.671 -22.047 1.00 0.00 H new ATOM 0 HA SER A 393 -7.471 -19.159 -19.556 1.00 0.00 H new ATOM 0 HB2 SER A 393 -5.494 -20.313 -18.463 1.00 0.00 H new ATOM 0 HB3 SER A 393 -6.503 -21.357 -19.444 1.00 0.00 H new ATOM 0 HG SER A 393 -4.246 -21.660 -19.875 1.00 0.00 H new ATOM 58 N ILE A 394 -5.375 -17.761 -18.567 1.00 0.00 N ATOM 59 CA ILE A 394 -4.572 -16.597 -18.212 1.00 0.00 C ATOM 60 C ILE A 394 -3.089 -16.861 -18.452 1.00 0.00 C ATOM 61 O ILE A 394 -2.517 -17.800 -17.896 1.00 0.00 O ATOM 62 CB ILE A 394 -4.786 -16.197 -16.738 1.00 0.00 C ATOM 63 CG1 ILE A 394 -4.014 -14.917 -16.413 1.00 0.00 C ATOM 64 CG2 ILE A 394 -4.359 -17.328 -15.812 1.00 0.00 C ATOM 65 CD1 ILE A 394 -4.765 -13.974 -15.498 1.00 0.00 C ATOM 0 H ILE A 394 -5.682 -18.321 -17.771 1.00 0.00 H new ATOM 0 HA ILE A 394 -4.898 -15.777 -18.851 1.00 0.00 H new ATOM 0 HB ILE A 394 -5.848 -16.007 -16.583 1.00 0.00 H new ATOM 0 HG12 ILE A 394 -3.065 -15.183 -15.948 1.00 0.00 H new ATOM 0 HG13 ILE A 394 -3.779 -14.398 -17.342 1.00 0.00 H new ATOM 0 HG21 ILE A 394 -4.517 -17.029 -14.776 1.00 0.00 H new ATOM 0 HG22 ILE A 394 -4.951 -18.218 -16.027 1.00 0.00 H new ATOM 0 HG23 ILE A 394 -3.303 -17.548 -15.969 1.00 0.00 H new ATOM 0 HD11 ILE A 394 -4.158 -13.088 -15.311 1.00 0.00 H new ATOM 0 HD12 ILE A 394 -5.702 -13.678 -15.970 1.00 0.00 H new ATOM 0 HD13 ILE A 394 -4.977 -14.475 -14.554 1.00 0.00 H new ATOM 77 N LYS A 395 -2.470 -16.027 -19.281 1.00 0.00 N ATOM 78 CA LYS A 395 -1.053 -16.171 -19.593 1.00 0.00 C ATOM 79 C LYS A 395 -0.468 -14.853 -20.088 1.00 0.00 C ATOM 80 O LYS A 395 0.272 -14.181 -19.370 1.00 0.00 O ATOM 81 CB LYS A 395 -0.848 -17.265 -20.644 1.00 0.00 C ATOM 82 CG LYS A 395 0.607 -17.465 -21.038 1.00 0.00 C ATOM 83 CD LYS A 395 1.082 -18.877 -20.730 1.00 0.00 C ATOM 84 CE LYS A 395 2.444 -19.152 -21.347 1.00 0.00 C ATOM 85 NZ LYS A 395 2.332 -19.885 -22.638 1.00 0.00 N ATOM 0 H LYS A 395 -2.927 -15.244 -19.749 1.00 0.00 H new ATOM 0 HA LYS A 395 -0.532 -16.456 -18.679 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -1.244 -18.205 -20.260 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -1.426 -17.015 -21.534 1.00 0.00 H new ATOM 0 HG2 LYS A 395 0.727 -17.264 -22.103 1.00 0.00 H new ATOM 0 HG3 LYS A 395 1.231 -16.747 -20.506 1.00 0.00 H new ATOM 0 HD2 LYS A 395 1.135 -19.017 -19.650 1.00 0.00 H new ATOM 0 HD3 LYS A 395 0.357 -19.597 -21.109 1.00 0.00 H new ATOM 0 HE2 LYS A 395 2.966 -18.209 -21.509 1.00 0.00 H new ATOM 0 HE3 LYS A 395 3.047 -19.734 -20.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 3.282 -20.053 -23.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 1.857 -20.796 -22.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 1.778 -19.319 -23.312 1.00 0.00 H new ATOM 99 N LYS A 396 -0.805 -14.493 -21.318 1.00 0.00 N ATOM 100 CA LYS A 396 -0.318 -13.256 -21.916 1.00 0.00 C ATOM 101 C LYS A 396 -1.475 -12.317 -22.244 1.00 0.00 C ATOM 102 O LYS A 396 -2.198 -12.525 -23.219 1.00 0.00 O ATOM 103 CB LYS A 396 0.485 -13.557 -23.183 1.00 0.00 C ATOM 104 CG LYS A 396 1.683 -12.641 -23.375 1.00 0.00 C ATOM 105 CD LYS A 396 2.870 -13.392 -23.958 1.00 0.00 C ATOM 106 CE LYS A 396 4.187 -12.751 -23.554 1.00 0.00 C ATOM 107 NZ LYS A 396 5.359 -13.540 -24.028 1.00 0.00 N ATOM 0 H LYS A 396 -1.416 -15.041 -21.924 1.00 0.00 H new ATOM 0 HA LYS A 396 0.331 -12.764 -21.192 1.00 0.00 H new ATOM 0 HB2 LYS A 396 0.830 -14.590 -23.148 1.00 0.00 H new ATOM 0 HB3 LYS A 396 -0.171 -13.469 -24.049 1.00 0.00 H new ATOM 0 HG2 LYS A 396 1.411 -11.818 -24.036 1.00 0.00 H new ATOM 0 HG3 LYS A 396 1.964 -12.201 -22.418 1.00 0.00 H new ATOM 0 HD2 LYS A 396 2.849 -14.428 -23.619 1.00 0.00 H new ATOM 0 HD3 LYS A 396 2.792 -13.411 -25.045 1.00 0.00 H new ATOM 0 HE2 LYS A 396 4.240 -11.742 -23.963 1.00 0.00 H new ATOM 0 HE3 LYS A 396 4.227 -12.658 -22.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 6.237 -13.069 -23.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 5.323 -14.495 -23.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 5.335 -13.608 -25.066 1.00 0.00 H new ATOM 121 N CYS A 397 -1.644 -11.286 -21.425 1.00 0.00 N ATOM 122 CA CYS A 397 -2.714 -10.315 -21.627 1.00 0.00 C ATOM 123 C CYS A 397 -2.146 -8.932 -21.925 1.00 0.00 C ATOM 124 O CYS A 397 -1.375 -8.387 -21.133 1.00 0.00 O ATOM 125 CB CYS A 397 -3.619 -10.259 -20.395 1.00 0.00 C ATOM 126 SG CYS A 397 -5.194 -11.125 -20.597 1.00 0.00 S ATOM 0 H CYS A 397 -1.054 -11.100 -20.614 1.00 0.00 H new ATOM 0 HA CYS A 397 -3.304 -10.634 -22.486 1.00 0.00 H new ATOM 0 HB2 CYS A 397 -3.087 -10.688 -19.546 1.00 0.00 H new ATOM 0 HB3 CYS A 397 -3.819 -9.216 -20.151 1.00 0.00 H new ATOM 0 HG CYS A 397 -5.888 -11.024 -19.503 1.00 0.00 H new ATOM 132 N PRO A 398 -2.518 -8.338 -23.073 1.00 0.00 N ATOM 133 CA PRO A 398 -2.035 -7.013 -23.458 1.00 0.00 C ATOM 134 C PRO A 398 -2.600 -5.916 -22.565 1.00 0.00 C ATOM 135 O PRO A 398 -3.800 -5.877 -22.291 1.00 0.00 O ATOM 136 CB PRO A 398 -2.541 -6.848 -24.893 1.00 0.00 C ATOM 137 CG PRO A 398 -3.729 -7.741 -24.980 1.00 0.00 C ATOM 138 CD PRO A 398 -3.434 -8.907 -24.080 1.00 0.00 C ATOM 0 HA PRO A 398 -0.952 -6.931 -23.366 1.00 0.00 H new ATOM 0 HB2 PRO A 398 -2.808 -5.812 -25.102 1.00 0.00 H new ATOM 0 HB3 PRO A 398 -1.778 -7.133 -25.617 1.00 0.00 H new ATOM 0 HG2 PRO A 398 -4.633 -7.221 -24.662 1.00 0.00 H new ATOM 0 HG3 PRO A 398 -3.895 -8.071 -26.005 1.00 0.00 H new ATOM 0 HD2 PRO A 398 -4.341 -9.300 -23.621 1.00 0.00 H new ATOM 0 HD3 PRO A 398 -2.971 -9.729 -24.626 1.00 0.00 H new ATOM 146 N ILE A 399 -1.725 -5.027 -22.117 1.00 0.00 N ATOM 147 CA ILE A 399 -2.126 -3.922 -21.256 1.00 0.00 C ATOM 148 C ILE A 399 -2.601 -2.729 -22.078 1.00 0.00 C ATOM 149 O ILE A 399 -3.770 -2.347 -22.018 1.00 0.00 O ATOM 150 CB ILE A 399 -0.969 -3.473 -20.343 1.00 0.00 C ATOM 151 CG1 ILE A 399 -0.333 -4.682 -19.656 1.00 0.00 C ATOM 152 CG2 ILE A 399 -1.465 -2.472 -19.311 1.00 0.00 C ATOM 153 CD1 ILE A 399 1.014 -4.384 -19.032 1.00 0.00 C ATOM 0 H ILE A 399 -0.729 -5.049 -22.336 1.00 0.00 H new ATOM 0 HA ILE A 399 -2.947 -4.285 -20.638 1.00 0.00 H new ATOM 0 HB ILE A 399 -0.211 -2.987 -20.957 1.00 0.00 H new ATOM 0 HG12 ILE A 399 -1.009 -5.048 -18.883 1.00 0.00 H new ATOM 0 HG13 ILE A 399 -0.217 -5.484 -20.385 1.00 0.00 H new ATOM 0 HG21 ILE A 399 -0.636 -2.165 -18.674 1.00 0.00 H new ATOM 0 HG22 ILE A 399 -1.875 -1.599 -19.819 1.00 0.00 H new ATOM 0 HG23 ILE A 399 -2.240 -2.934 -18.700 1.00 0.00 H new ATOM 0 HD11 ILE A 399 1.405 -5.287 -18.563 1.00 0.00 H new ATOM 0 HD12 ILE A 399 1.706 -4.047 -19.804 1.00 0.00 H new ATOM 0 HD13 ILE A 399 0.902 -3.604 -18.279 1.00 0.00 H new ATOM 165 N CYS A 400 -1.687 -2.146 -22.848 1.00 0.00 N ATOM 166 CA CYS A 400 -2.012 -0.996 -23.685 1.00 0.00 C ATOM 167 C CYS A 400 -1.737 -1.286 -25.161 1.00 0.00 C ATOM 168 O CYS A 400 -1.988 -0.443 -26.022 1.00 0.00 O ATOM 169 CB CYS A 400 -1.211 0.228 -23.236 1.00 0.00 C ATOM 170 SG CYS A 400 -2.120 1.341 -22.138 1.00 0.00 S ATOM 0 H CYS A 400 -0.716 -2.451 -22.910 1.00 0.00 H new ATOM 0 HA CYS A 400 -3.077 -0.791 -23.572 1.00 0.00 H new ATOM 0 HB2 CYS A 400 -0.307 -0.109 -22.728 1.00 0.00 H new ATOM 0 HB3 CYS A 400 -0.893 0.784 -24.118 1.00 0.00 H new ATOM 0 HG CYS A 400 -1.360 2.344 -21.811 1.00 0.00 H new ATOM 176 N LYS A 401 -1.222 -2.479 -25.450 1.00 0.00 N ATOM 177 CA LYS A 401 -0.917 -2.866 -26.823 1.00 0.00 C ATOM 178 C LYS A 401 -2.184 -2.906 -27.672 1.00 0.00 C ATOM 179 O LYS A 401 -2.141 -2.673 -28.880 1.00 0.00 O ATOM 180 CB LYS A 401 -0.228 -4.231 -26.849 1.00 0.00 C ATOM 181 CG LYS A 401 1.263 -4.164 -26.563 1.00 0.00 C ATOM 182 CD LYS A 401 1.906 -5.541 -26.625 1.00 0.00 C ATOM 183 CE LYS A 401 2.128 -6.115 -25.236 1.00 0.00 C ATOM 184 NZ LYS A 401 2.034 -7.602 -25.228 1.00 0.00 N ATOM 0 H LYS A 401 -1.008 -3.192 -24.753 1.00 0.00 H new ATOM 0 HA LYS A 401 -0.244 -2.119 -27.243 1.00 0.00 H new ATOM 0 HB2 LYS A 401 -0.702 -4.882 -26.114 1.00 0.00 H new ATOM 0 HB3 LYS A 401 -0.382 -4.688 -27.826 1.00 0.00 H new ATOM 0 HG2 LYS A 401 1.744 -3.504 -27.285 1.00 0.00 H new ATOM 0 HG3 LYS A 401 1.426 -3.729 -25.577 1.00 0.00 H new ATOM 0 HD2 LYS A 401 1.271 -6.214 -27.201 1.00 0.00 H new ATOM 0 HD3 LYS A 401 2.859 -5.475 -27.149 1.00 0.00 H new ATOM 0 HE2 LYS A 401 3.109 -5.811 -24.870 1.00 0.00 H new ATOM 0 HE3 LYS A 401 1.389 -5.701 -24.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 2.191 -7.955 -24.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 1.090 -7.892 -25.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 2.755 -7.999 -25.863 1.00 0.00 H new ATOM 198 N ALA A 402 -3.311 -3.202 -27.033 1.00 0.00 N ATOM 199 CA ALA A 402 -4.589 -3.272 -27.730 1.00 0.00 C ATOM 200 C ALA A 402 -5.011 -1.901 -28.248 1.00 0.00 C ATOM 201 O ALA A 402 -5.699 -1.796 -29.263 1.00 0.00 O ATOM 202 CB ALA A 402 -5.659 -3.843 -26.811 1.00 0.00 C ATOM 0 H ALA A 402 -3.365 -3.397 -26.033 1.00 0.00 H new ATOM 0 HA ALA A 402 -4.470 -3.933 -28.588 1.00 0.00 H new ATOM 0 HB1 ALA A 402 -6.609 -3.890 -27.344 1.00 0.00 H new ATOM 0 HB2 ALA A 402 -5.370 -4.845 -26.495 1.00 0.00 H new ATOM 0 HB3 ALA A 402 -5.766 -3.203 -25.935 1.00 0.00 H new ATOM 208 N ASP A 403 -4.596 -0.853 -27.544 1.00 0.00 N ATOM 209 CA ASP A 403 -4.935 0.511 -27.934 1.00 0.00 C ATOM 210 C ASP A 403 -3.747 1.207 -28.595 1.00 0.00 C ATOM 211 O ASP A 403 -3.921 2.160 -29.355 1.00 0.00 O ATOM 212 CB ASP A 403 -5.393 1.312 -26.714 1.00 0.00 C ATOM 213 CG ASP A 403 -6.892 1.233 -26.502 1.00 0.00 C ATOM 214 OD1 ASP A 403 -7.617 2.081 -27.065 1.00 0.00 O ATOM 215 OD2 ASP A 403 -7.342 0.325 -25.772 1.00 0.00 O ATOM 0 H ASP A 403 -4.025 -0.922 -26.702 1.00 0.00 H new ATOM 0 HA ASP A 403 -5.749 0.460 -28.658 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -4.883 0.940 -25.826 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -5.100 2.355 -26.836 1.00 0.00 H new ATOM 220 N ASP A 404 -2.541 0.727 -28.305 1.00 0.00 N ATOM 221 CA ASP A 404 -1.331 1.309 -28.876 1.00 0.00 C ATOM 222 C ASP A 404 -0.102 0.487 -28.500 1.00 0.00 C ATOM 223 O ASP A 404 0.056 0.079 -27.350 1.00 0.00 O ATOM 224 CB ASP A 404 -1.160 2.752 -28.398 1.00 0.00 C ATOM 225 CG ASP A 404 -0.646 3.666 -29.493 1.00 0.00 C ATOM 226 OD1 ASP A 404 0.588 3.761 -29.656 1.00 0.00 O ATOM 227 OD2 ASP A 404 -1.478 4.287 -30.187 1.00 0.00 O ATOM 0 H ASP A 404 -2.376 -0.062 -27.679 1.00 0.00 H new ATOM 0 HA ASP A 404 -1.432 1.303 -29.961 1.00 0.00 H new ATOM 0 HB2 ASP A 404 -2.117 3.127 -28.034 1.00 0.00 H new ATOM 0 HB3 ASP A 404 -0.468 2.773 -27.556 1.00 0.00 H new ATOM 232 N ILE A 405 0.767 0.251 -29.478 1.00 0.00 N ATOM 233 CA ILE A 405 1.984 -0.519 -29.251 1.00 0.00 C ATOM 234 C ILE A 405 2.947 0.232 -28.338 1.00 0.00 C ATOM 235 O ILE A 405 3.170 -0.163 -27.195 1.00 0.00 O ATOM 236 CB ILE A 405 2.697 -0.851 -30.577 1.00 0.00 C ATOM 237 CG1 ILE A 405 1.719 -1.493 -31.562 1.00 0.00 C ATOM 238 CG2 ILE A 405 3.883 -1.770 -30.327 1.00 0.00 C ATOM 239 CD1 ILE A 405 2.070 -1.241 -33.013 1.00 0.00 C ATOM 0 H ILE A 405 0.650 0.582 -30.436 1.00 0.00 H new ATOM 0 HA ILE A 405 1.684 -1.450 -28.769 1.00 0.00 H new ATOM 0 HB ILE A 405 3.067 0.077 -31.013 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.691 -2.568 -31.385 1.00 0.00 H new ATOM 0 HG13 ILE A 405 0.717 -1.111 -31.367 1.00 0.00 H new ATOM 0 HG21 ILE A 405 4.375 -1.995 -31.273 1.00 0.00 H new ATOM 0 HG22 ILE A 405 4.590 -1.278 -29.658 1.00 0.00 H new ATOM 0 HG23 ILE A 405 3.535 -2.697 -29.870 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.334 -1.725 -33.655 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.070 -0.168 -33.206 1.00 0.00 H new ATOM 0 HD13 ILE A 405 3.059 -1.648 -33.224 1.00 0.00 H new ATOM 251 N CYS A 406 3.517 1.319 -28.851 1.00 0.00 N ATOM 252 CA CYS A 406 4.458 2.127 -28.081 1.00 0.00 C ATOM 253 C CYS A 406 5.627 1.283 -27.587 1.00 0.00 C ATOM 254 O CYS A 406 5.619 0.057 -27.713 1.00 0.00 O ATOM 255 CB CYS A 406 3.748 2.781 -26.894 1.00 0.00 C ATOM 256 SG CYS A 406 4.404 4.404 -26.445 1.00 0.00 S ATOM 0 H CYS A 406 3.344 1.661 -29.796 1.00 0.00 H new ATOM 0 HA CYS A 406 4.849 2.905 -28.736 1.00 0.00 H new ATOM 0 HB2 CYS A 406 2.688 2.882 -27.129 1.00 0.00 H new ATOM 0 HB3 CYS A 406 3.822 2.120 -26.031 1.00 0.00 H new ATOM 0 HG CYS A 406 3.738 4.876 -25.433 1.00 0.00 H new ATOM 262 N ASP A 407 6.632 1.944 -27.023 1.00 0.00 N ATOM 263 CA ASP A 407 7.809 1.254 -26.508 1.00 0.00 C ATOM 264 C ASP A 407 7.798 1.223 -24.983 1.00 0.00 C ATOM 265 O ASP A 407 8.187 2.191 -24.330 1.00 0.00 O ATOM 266 CB ASP A 407 9.084 1.934 -27.007 1.00 0.00 C ATOM 267 CG ASP A 407 9.236 1.848 -28.512 1.00 0.00 C ATOM 268 OD1 ASP A 407 8.338 2.339 -29.228 1.00 0.00 O ATOM 269 OD2 ASP A 407 10.252 1.289 -28.976 1.00 0.00 O ATOM 0 H ASP A 407 6.655 2.958 -26.911 1.00 0.00 H new ATOM 0 HA ASP A 407 7.786 0.228 -26.874 1.00 0.00 H new ATOM 0 HB2 ASP A 407 9.075 2.981 -26.705 1.00 0.00 H new ATOM 0 HB3 ASP A 407 9.949 1.472 -26.531 1.00 0.00 H new ATOM 274 N HIS A 408 7.349 0.105 -24.421 1.00 0.00 N ATOM 275 CA HIS A 408 7.288 -0.052 -22.973 1.00 0.00 C ATOM 276 C HIS A 408 8.667 -0.366 -22.400 1.00 0.00 C ATOM 277 O HIS A 408 9.020 0.098 -21.316 1.00 0.00 O ATOM 278 CB HIS A 408 6.302 -1.162 -22.601 1.00 0.00 C ATOM 279 CG HIS A 408 4.933 -0.658 -22.264 1.00 0.00 C ATOM 280 ND1 HIS A 408 4.271 0.286 -23.022 1.00 0.00 N ATOM 281 CD2 HIS A 408 4.099 -0.970 -21.245 1.00 0.00 C ATOM 282 CE1 HIS A 408 3.090 0.531 -22.483 1.00 0.00 C ATOM 283 NE2 HIS A 408 2.961 -0.218 -21.404 1.00 0.00 N ATOM 0 H HIS A 408 7.022 -0.705 -24.947 1.00 0.00 H new ATOM 0 HA HIS A 408 6.944 0.889 -22.545 1.00 0.00 H new ATOM 0 HB2 HIS A 408 6.228 -1.864 -23.431 1.00 0.00 H new ATOM 0 HB3 HIS A 408 6.696 -1.716 -21.749 1.00 0.00 H new ATOM 0 HD2 HIS A 408 4.292 -1.679 -20.454 1.00 0.00 H new ATOM 0 HE1 HIS A 408 2.355 1.226 -22.861 1.00 0.00 H new ATOM 0 HE2 HIS A 408 2.148 -0.235 -20.788 1.00 0.00 H new ATOM 292 N THR A 409 9.441 -1.158 -23.136 1.00 0.00 N ATOM 293 CA THR A 409 10.782 -1.535 -22.701 1.00 0.00 C ATOM 294 C THR A 409 10.727 -2.341 -21.408 1.00 0.00 C ATOM 295 O THR A 409 9.862 -2.117 -20.560 1.00 0.00 O ATOM 296 CB THR A 409 11.648 -0.290 -22.504 1.00 0.00 C ATOM 297 OG1 THR A 409 11.364 0.681 -23.495 1.00 0.00 O ATOM 298 CG2 THR A 409 13.133 -0.579 -22.558 1.00 0.00 C ATOM 0 H THR A 409 9.163 -1.551 -24.035 1.00 0.00 H new ATOM 0 HA THR A 409 11.227 -2.157 -23.478 1.00 0.00 H new ATOM 0 HB THR A 409 11.401 0.078 -21.508 1.00 0.00 H new ATOM 0 HG1 THR A 409 11.927 1.470 -23.351 1.00 0.00 H new ATOM 0 HG21 THR A 409 13.689 0.347 -22.411 1.00 0.00 H new ATOM 0 HG22 THR A 409 13.394 -1.288 -21.773 1.00 0.00 H new ATOM 0 HG23 THR A 409 13.386 -1.004 -23.529 1.00 0.00 H new ATOM 306 N LEU A 410 11.656 -3.281 -21.263 1.00 0.00 N ATOM 307 CA LEU A 410 11.714 -4.121 -20.073 1.00 0.00 C ATOM 308 C LEU A 410 12.036 -3.292 -18.833 1.00 0.00 C ATOM 309 O LEU A 410 11.593 -3.610 -17.729 1.00 0.00 O ATOM 310 CB LEU A 410 12.760 -5.225 -20.253 1.00 0.00 C ATOM 311 CG LEU A 410 12.191 -6.605 -20.587 1.00 0.00 C ATOM 312 CD1 LEU A 410 13.305 -7.556 -20.998 1.00 0.00 C ATOM 313 CD2 LEU A 410 11.422 -7.164 -19.400 1.00 0.00 C ATOM 0 H LEU A 410 12.379 -3.480 -21.955 1.00 0.00 H new ATOM 0 HA LEU A 410 10.734 -4.578 -19.934 1.00 0.00 H new ATOM 0 HB2 LEU A 410 13.446 -4.929 -21.047 1.00 0.00 H new ATOM 0 HB3 LEU A 410 13.347 -5.302 -19.337 1.00 0.00 H new ATOM 0 HG LEU A 410 11.502 -6.501 -21.425 1.00 0.00 H new ATOM 0 HD11 LEU A 410 12.882 -8.533 -21.232 1.00 0.00 H new ATOM 0 HD12 LEU A 410 13.814 -7.161 -21.877 1.00 0.00 H new ATOM 0 HD13 LEU A 410 14.018 -7.656 -20.180 1.00 0.00 H new ATOM 0 HD21 LEU A 410 11.024 -8.146 -19.654 1.00 0.00 H new ATOM 0 HD22 LEU A 410 12.090 -7.254 -18.543 1.00 0.00 H new ATOM 0 HD23 LEU A 410 10.600 -6.493 -19.150 1.00 0.00 H new ATOM 325 N GLU A 411 12.809 -2.227 -19.023 1.00 0.00 N ATOM 326 CA GLU A 411 13.189 -1.352 -17.920 1.00 0.00 C ATOM 327 C GLU A 411 11.956 -0.758 -17.246 1.00 0.00 C ATOM 328 O GLU A 411 11.845 -0.759 -16.020 1.00 0.00 O ATOM 329 CB GLU A 411 14.101 -0.231 -18.421 1.00 0.00 C ATOM 330 CG GLU A 411 15.581 -0.568 -18.336 1.00 0.00 C ATOM 331 CD GLU A 411 16.466 0.649 -18.516 1.00 0.00 C ATOM 332 OE1 GLU A 411 16.557 1.155 -19.655 1.00 0.00 O ATOM 333 OE2 GLU A 411 17.070 1.097 -17.519 1.00 0.00 O ATOM 0 H GLU A 411 13.184 -1.950 -19.930 1.00 0.00 H new ATOM 0 HA GLU A 411 13.729 -1.949 -17.186 1.00 0.00 H new ATOM 0 HB2 GLU A 411 13.848 -0.003 -19.456 1.00 0.00 H new ATOM 0 HB3 GLU A 411 13.908 0.671 -17.840 1.00 0.00 H new ATOM 0 HG2 GLU A 411 15.791 -1.026 -17.369 1.00 0.00 H new ATOM 0 HG3 GLU A 411 15.826 -1.307 -19.099 1.00 0.00 H new ATOM 340 N GLN A 412 11.033 -0.250 -18.056 1.00 0.00 N ATOM 341 CA GLN A 412 9.807 0.349 -17.538 1.00 0.00 C ATOM 342 C GLN A 412 8.914 -0.707 -16.893 1.00 0.00 C ATOM 343 O GLN A 412 8.159 -0.413 -15.966 1.00 0.00 O ATOM 344 CB GLN A 412 9.049 1.059 -18.660 1.00 0.00 C ATOM 345 CG GLN A 412 8.369 2.344 -18.218 1.00 0.00 C ATOM 346 CD GLN A 412 7.213 2.732 -19.119 1.00 0.00 C ATOM 347 OE1 GLN A 412 7.231 2.467 -20.321 1.00 0.00 O ATOM 348 NE2 GLN A 412 6.198 3.364 -18.540 1.00 0.00 N ATOM 0 H GLN A 412 11.110 -0.241 -19.073 1.00 0.00 H new ATOM 0 HA GLN A 412 10.083 1.079 -16.776 1.00 0.00 H new ATOM 0 HB2 GLN A 412 9.743 1.285 -19.469 1.00 0.00 H new ATOM 0 HB3 GLN A 412 8.298 0.381 -19.065 1.00 0.00 H new ATOM 0 HG2 GLN A 412 8.005 2.226 -17.197 1.00 0.00 H new ATOM 0 HG3 GLN A 412 9.101 3.152 -18.204 1.00 0.00 H new ATOM 0 HE21 GLN A 412 6.225 3.563 -17.540 1.00 0.00 H new ATOM 0 HE22 GLN A 412 5.392 3.650 -19.095 1.00 0.00 H new ATOM 357 N GLN A 413 9.003 -1.936 -17.391 1.00 0.00 N ATOM 358 CA GLN A 413 8.201 -3.034 -16.864 1.00 0.00 C ATOM 359 C GLN A 413 8.671 -3.434 -15.469 1.00 0.00 C ATOM 360 O GLN A 413 7.862 -3.619 -14.560 1.00 0.00 O ATOM 361 CB GLN A 413 8.268 -4.239 -17.804 1.00 0.00 C ATOM 362 CG GLN A 413 7.599 -4.001 -19.148 1.00 0.00 C ATOM 363 CD GLN A 413 6.667 -5.129 -19.545 1.00 0.00 C ATOM 364 OE1 GLN A 413 5.536 -5.213 -19.066 1.00 0.00 O ATOM 365 NE2 GLN A 413 7.139 -6.004 -20.425 1.00 0.00 N ATOM 0 H GLN A 413 9.622 -2.196 -18.159 1.00 0.00 H new ATOM 0 HA GLN A 413 7.168 -2.694 -16.794 1.00 0.00 H new ATOM 0 HB2 GLN A 413 9.313 -4.502 -17.969 1.00 0.00 H new ATOM 0 HB3 GLN A 413 7.796 -5.094 -17.319 1.00 0.00 H new ATOM 0 HG2 GLN A 413 7.037 -3.068 -19.110 1.00 0.00 H new ATOM 0 HG3 GLN A 413 8.365 -3.881 -19.914 1.00 0.00 H new ATOM 0 HE21 GLN A 413 8.083 -5.895 -20.796 1.00 0.00 H new ATOM 0 HE22 GLN A 413 6.558 -6.785 -20.730 1.00 0.00 H new ATOM 374 N GLN A 414 9.984 -3.569 -15.307 1.00 0.00 N ATOM 375 CA GLN A 414 10.559 -3.950 -14.022 1.00 0.00 C ATOM 376 C GLN A 414 11.570 -2.911 -13.546 1.00 0.00 C ATOM 377 O GLN A 414 12.671 -2.808 -14.086 1.00 0.00 O ATOM 378 CB GLN A 414 11.233 -5.320 -14.129 1.00 0.00 C ATOM 379 CG GLN A 414 12.119 -5.469 -15.354 1.00 0.00 C ATOM 380 CD GLN A 414 13.147 -6.574 -15.199 1.00 0.00 C ATOM 381 OE1 GLN A 414 12.824 -7.756 -15.306 1.00 0.00 O ATOM 382 NE2 GLN A 414 14.393 -6.192 -14.945 1.00 0.00 N ATOM 0 H GLN A 414 10.668 -3.420 -16.049 1.00 0.00 H new ATOM 0 HA GLN A 414 9.750 -4.004 -13.293 1.00 0.00 H new ATOM 0 HB2 GLN A 414 11.832 -5.491 -13.235 1.00 0.00 H new ATOM 0 HB3 GLN A 414 10.465 -6.093 -14.151 1.00 0.00 H new ATOM 0 HG2 GLN A 414 11.497 -5.676 -16.225 1.00 0.00 H new ATOM 0 HG3 GLN A 414 12.631 -4.526 -15.545 1.00 0.00 H new ATOM 0 HE21 GLN A 414 14.616 -5.200 -14.864 1.00 0.00 H new ATOM 0 HE22 GLN A 414 15.127 -6.891 -14.830 1.00 0.00 H new ATOM 391 N MET A 415 11.186 -2.143 -12.532 1.00 0.00 N ATOM 392 CA MET A 415 12.059 -1.110 -11.982 1.00 0.00 C ATOM 393 C MET A 415 12.310 -1.326 -10.489 1.00 0.00 C ATOM 394 O MET A 415 13.076 -0.587 -9.870 1.00 0.00 O ATOM 395 CB MET A 415 11.451 0.275 -12.211 1.00 0.00 C ATOM 396 CG MET A 415 10.058 0.435 -11.623 1.00 0.00 C ATOM 397 SD MET A 415 8.929 1.300 -12.733 1.00 0.00 S ATOM 398 CE MET A 415 7.818 2.067 -11.556 1.00 0.00 C ATOM 0 H MET A 415 10.277 -2.215 -12.074 1.00 0.00 H new ATOM 0 HA MET A 415 13.016 -1.175 -12.500 1.00 0.00 H new ATOM 0 HB2 MET A 415 12.108 1.027 -11.775 1.00 0.00 H new ATOM 0 HB3 MET A 415 11.408 0.471 -13.282 1.00 0.00 H new ATOM 0 HG2 MET A 415 9.651 -0.549 -11.392 1.00 0.00 H new ATOM 0 HG3 MET A 415 10.126 0.981 -10.682 1.00 0.00 H new ATOM 0 HE1 MET A 415 7.060 2.640 -12.091 1.00 0.00 H new ATOM 0 HE2 MET A 415 7.334 1.296 -10.957 1.00 0.00 H new ATOM 0 HE3 MET A 415 8.383 2.733 -10.903 1.00 0.00 H new ATOM 408 N GLN A 416 11.665 -2.339 -9.912 1.00 0.00 N ATOM 409 CA GLN A 416 11.830 -2.638 -8.494 1.00 0.00 C ATOM 410 C GLN A 416 11.429 -1.442 -7.632 1.00 0.00 C ATOM 411 O GLN A 416 12.244 -0.557 -7.368 1.00 0.00 O ATOM 412 CB GLN A 416 13.279 -3.029 -8.199 1.00 0.00 C ATOM 413 CG GLN A 416 13.414 -4.098 -7.127 1.00 0.00 C ATOM 414 CD GLN A 416 14.650 -4.957 -7.312 1.00 0.00 C ATOM 415 OE1 GLN A 416 15.778 -4.483 -7.170 1.00 0.00 O ATOM 416 NE2 GLN A 416 14.444 -6.229 -7.632 1.00 0.00 N ATOM 0 H GLN A 416 11.026 -2.963 -10.404 1.00 0.00 H new ATOM 0 HA GLN A 416 11.176 -3.475 -8.248 1.00 0.00 H new ATOM 0 HB2 GLN A 416 13.744 -3.386 -9.118 1.00 0.00 H new ATOM 0 HB3 GLN A 416 13.830 -2.142 -7.887 1.00 0.00 H new ATOM 0 HG2 GLN A 416 13.450 -3.622 -6.147 1.00 0.00 H new ATOM 0 HG3 GLN A 416 12.529 -4.734 -7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 416 13.492 -6.580 -7.740 1.00 0.00 H new ATOM 0 HE22 GLN A 416 15.237 -6.855 -7.770 1.00 0.00 H new ATOM 425 N PRO A 417 10.163 -1.397 -7.182 1.00 0.00 N ATOM 426 CA PRO A 417 9.659 -0.299 -6.348 1.00 0.00 C ATOM 427 C PRO A 417 10.417 -0.182 -5.030 1.00 0.00 C ATOM 428 O PRO A 417 10.782 -1.188 -4.421 1.00 0.00 O ATOM 429 CB PRO A 417 8.195 -0.676 -6.088 1.00 0.00 C ATOM 430 CG PRO A 417 7.852 -1.662 -7.152 1.00 0.00 C ATOM 431 CD PRO A 417 9.123 -2.404 -7.449 1.00 0.00 C ATOM 0 HA PRO A 417 9.779 0.667 -6.839 1.00 0.00 H new ATOM 0 HB2 PRO A 417 8.070 -1.108 -5.095 1.00 0.00 H new ATOM 0 HB3 PRO A 417 7.548 0.200 -6.139 1.00 0.00 H new ATOM 0 HG2 PRO A 417 7.071 -2.344 -6.816 1.00 0.00 H new ATOM 0 HG3 PRO A 417 7.475 -1.160 -8.043 1.00 0.00 H new ATOM 0 HD2 PRO A 417 9.237 -3.281 -6.812 1.00 0.00 H new ATOM 0 HD3 PRO A 417 9.155 -2.754 -8.481 1.00 0.00 H new ATOM 439 N LEU A 418 10.654 1.051 -4.596 1.00 0.00 N ATOM 440 CA LEU A 418 11.371 1.301 -3.352 1.00 0.00 C ATOM 441 C LEU A 418 10.423 1.793 -2.260 1.00 0.00 C ATOM 442 O LEU A 418 10.718 1.674 -1.072 1.00 0.00 O ATOM 443 CB LEU A 418 12.495 2.318 -3.574 1.00 0.00 C ATOM 444 CG LEU A 418 12.213 3.409 -4.616 1.00 0.00 C ATOM 445 CD1 LEU A 418 12.232 2.838 -6.027 1.00 0.00 C ATOM 446 CD2 LEU A 418 10.891 4.104 -4.324 1.00 0.00 C ATOM 0 H LEU A 418 10.359 1.894 -5.089 1.00 0.00 H new ATOM 0 HA LEU A 418 11.809 0.359 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 418 12.716 2.800 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 418 13.393 1.779 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 418 13.007 4.152 -4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 418 12.029 3.633 -6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 418 13.212 2.406 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 418 11.469 2.065 -6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 418 10.711 4.874 -5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 418 10.082 3.374 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 418 10.932 4.563 -3.336 1.00 0.00 H new ATOM 458 N CYS A 419 9.282 2.340 -2.670 1.00 0.00 N ATOM 459 CA CYS A 419 8.295 2.845 -1.722 1.00 0.00 C ATOM 460 C CYS A 419 6.904 2.867 -2.348 1.00 0.00 C ATOM 461 O CYS A 419 6.757 2.749 -3.565 1.00 0.00 O ATOM 462 CB CYS A 419 8.680 4.248 -1.246 1.00 0.00 C ATOM 463 SG CYS A 419 8.585 5.521 -2.529 1.00 0.00 S ATOM 0 H CYS A 419 9.019 2.444 -3.650 1.00 0.00 H new ATOM 0 HA CYS A 419 8.276 2.174 -0.863 1.00 0.00 H new ATOM 0 HB2 CYS A 419 8.027 4.531 -0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 419 9.696 4.220 -0.853 1.00 0.00 H new ATOM 0 HG CYS A 419 8.927 6.670 -2.026 1.00 0.00 H new ATOM 469 N PHE A 420 5.885 3.020 -1.510 1.00 0.00 N ATOM 470 CA PHE A 420 4.506 3.057 -1.982 1.00 0.00 C ATOM 471 C PHE A 420 3.713 4.142 -1.262 1.00 0.00 C ATOM 472 O PHE A 420 4.007 4.481 -0.116 1.00 0.00 O ATOM 473 CB PHE A 420 3.836 1.699 -1.773 1.00 0.00 C ATOM 474 CG PHE A 420 4.508 0.576 -2.510 1.00 0.00 C ATOM 475 CD1 PHE A 420 4.518 0.548 -3.895 1.00 0.00 C ATOM 476 CD2 PHE A 420 5.129 -0.451 -1.817 1.00 0.00 C ATOM 477 CE1 PHE A 420 5.136 -0.482 -4.576 1.00 0.00 C ATOM 478 CE2 PHE A 420 5.748 -1.485 -2.494 1.00 0.00 C ATOM 479 CZ PHE A 420 5.751 -1.501 -3.874 1.00 0.00 C ATOM 0 H PHE A 420 5.988 3.120 -0.500 1.00 0.00 H new ATOM 0 HA PHE A 420 4.520 3.288 -3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 420 3.826 1.468 -0.708 1.00 0.00 H new ATOM 0 HB3 PHE A 420 2.797 1.763 -2.095 1.00 0.00 H new ATOM 0 HD1 PHE A 420 4.037 1.341 -4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 420 5.129 -0.443 -0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 420 5.139 -0.491 -5.656 1.00 0.00 H new ATOM 0 HE2 PHE A 420 6.229 -2.280 -1.943 1.00 0.00 H new ATOM 0 HZ PHE A 420 6.233 -2.309 -4.404 1.00 0.00 H new ATOM 489 N ASN A 421 2.706 4.683 -1.942 1.00 0.00 N ATOM 490 CA ASN A 421 1.870 5.728 -1.364 1.00 0.00 C ATOM 491 C ASN A 421 0.406 5.519 -1.740 1.00 0.00 C ATOM 492 O ASN A 421 0.032 5.636 -2.907 1.00 0.00 O ATOM 493 CB ASN A 421 2.340 7.106 -1.835 1.00 0.00 C ATOM 494 CG ASN A 421 2.362 8.125 -0.712 1.00 0.00 C ATOM 495 OD1 ASN A 421 3.287 8.931 -0.608 1.00 0.00 O ATOM 496 ND2 ASN A 421 1.341 8.092 0.136 1.00 0.00 N ATOM 0 H ASN A 421 2.450 4.415 -2.892 1.00 0.00 H new ATOM 0 HA ASN A 421 1.960 5.675 -0.279 1.00 0.00 H new ATOM 0 HB2 ASN A 421 3.339 7.019 -2.263 1.00 0.00 H new ATOM 0 HB3 ASN A 421 1.682 7.459 -2.629 1.00 0.00 H new ATOM 0 HD21 ASN A 421 1.301 8.752 0.912 1.00 0.00 H new ATOM 0 HD22 ASN A 421 0.596 7.406 0.011 1.00 0.00 H new ATOM 503 N CYS A 422 -0.418 5.208 -0.745 1.00 0.00 N ATOM 504 CA CYS A 422 -1.840 4.983 -0.974 1.00 0.00 C ATOM 505 C CYS A 422 -2.582 6.307 -1.145 1.00 0.00 C ATOM 506 O CYS A 422 -2.695 7.086 -0.201 1.00 0.00 O ATOM 507 CB CYS A 422 -2.452 4.196 0.188 1.00 0.00 C ATOM 508 SG CYS A 422 -4.190 3.754 -0.053 1.00 0.00 S ATOM 0 H CYS A 422 -0.126 5.106 0.227 1.00 0.00 H new ATOM 0 HA CYS A 422 -1.943 4.404 -1.892 1.00 0.00 H new ATOM 0 HB2 CYS A 422 -1.874 3.284 0.340 1.00 0.00 H new ATOM 0 HB3 CYS A 422 -2.361 4.786 1.100 1.00 0.00 H new ATOM 513 N PRO A 423 -3.106 6.583 -2.354 1.00 0.00 N ATOM 514 CA PRO A 423 -3.844 7.819 -2.625 1.00 0.00 C ATOM 515 C PRO A 423 -5.256 7.792 -2.049 1.00 0.00 C ATOM 516 O PRO A 423 -6.001 8.765 -2.161 1.00 0.00 O ATOM 517 CB PRO A 423 -3.889 7.868 -4.151 1.00 0.00 C ATOM 518 CG PRO A 423 -3.859 6.439 -4.573 1.00 0.00 C ATOM 519 CD PRO A 423 -3.029 5.714 -3.546 1.00 0.00 C ATOM 0 HA PRO A 423 -3.371 8.688 -2.168 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.791 8.367 -4.505 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.040 8.419 -4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.867 6.026 -4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -3.425 6.336 -5.567 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.424 4.719 -3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -2.000 5.585 -3.882 1.00 0.00 H new ATOM 527 N ILE A 424 -5.617 6.671 -1.433 1.00 0.00 N ATOM 528 CA ILE A 424 -6.934 6.512 -0.841 1.00 0.00 C ATOM 529 C ILE A 424 -6.897 6.771 0.664 1.00 0.00 C ATOM 530 O ILE A 424 -7.886 7.207 1.252 1.00 0.00 O ATOM 531 CB ILE A 424 -7.485 5.095 -1.104 1.00 0.00 C ATOM 532 CG1 ILE A 424 -7.709 4.882 -2.602 1.00 0.00 C ATOM 533 CG2 ILE A 424 -8.775 4.867 -0.333 1.00 0.00 C ATOM 534 CD1 ILE A 424 -7.340 3.493 -3.077 1.00 0.00 C ATOM 0 H ILE A 424 -5.010 5.857 -1.332 1.00 0.00 H new ATOM 0 HA ILE A 424 -7.592 7.245 -1.308 1.00 0.00 H new ATOM 0 HB ILE A 424 -6.749 4.370 -0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 424 -8.757 5.070 -2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 424 -7.123 5.615 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 424 -9.146 3.862 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 424 -8.585 4.978 0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 424 -9.520 5.598 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 424 -7.525 3.414 -4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 424 -6.285 3.308 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 424 -7.945 2.755 -2.549 1.00 0.00 H new ATOM 546 N CYS A 425 -5.754 6.492 1.282 1.00 0.00 N ATOM 547 CA CYS A 425 -5.597 6.685 2.720 1.00 0.00 C ATOM 548 C CYS A 425 -4.402 7.584 3.045 1.00 0.00 C ATOM 549 O CYS A 425 -4.211 7.975 4.197 1.00 0.00 O ATOM 550 CB CYS A 425 -5.432 5.334 3.411 1.00 0.00 C ATOM 551 SG CYS A 425 -6.738 4.153 3.011 1.00 0.00 S ATOM 0 H CYS A 425 -4.924 6.132 0.811 1.00 0.00 H new ATOM 0 HA CYS A 425 -6.496 7.179 3.088 1.00 0.00 H new ATOM 0 HB2 CYS A 425 -4.469 4.907 3.130 1.00 0.00 H new ATOM 0 HB3 CYS A 425 -5.410 5.487 4.490 1.00 0.00 H new ATOM 556 N ASP A 426 -3.601 7.907 2.033 1.00 0.00 N ATOM 557 CA ASP A 426 -2.430 8.756 2.227 1.00 0.00 C ATOM 558 C ASP A 426 -1.410 8.072 3.134 1.00 0.00 C ATOM 559 O ASP A 426 -0.735 8.724 3.930 1.00 0.00 O ATOM 560 CB ASP A 426 -2.842 10.106 2.820 1.00 0.00 C ATOM 561 CG ASP A 426 -3.006 11.177 1.758 1.00 0.00 C ATOM 562 OD1 ASP A 426 -1.996 11.536 1.118 1.00 0.00 O ATOM 563 OD2 ASP A 426 -4.144 11.654 1.569 1.00 0.00 O ATOM 0 H ASP A 426 -3.741 7.594 1.072 1.00 0.00 H new ATOM 0 HA ASP A 426 -1.968 8.926 1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -3.780 9.990 3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -2.092 10.427 3.543 1.00 0.00 H new ATOM 568 N LYS A 427 -1.305 6.753 3.005 1.00 0.00 N ATOM 569 CA LYS A 427 -0.370 5.977 3.812 1.00 0.00 C ATOM 570 C LYS A 427 0.788 5.466 2.959 1.00 0.00 C ATOM 571 O LYS A 427 0.595 5.049 1.818 1.00 0.00 O ATOM 572 CB LYS A 427 -1.094 4.801 4.474 1.00 0.00 C ATOM 573 CG LYS A 427 -1.007 4.809 5.992 1.00 0.00 C ATOM 574 CD LYS A 427 -2.321 4.386 6.631 1.00 0.00 C ATOM 575 CE LYS A 427 -2.104 3.344 7.718 1.00 0.00 C ATOM 576 NZ LYS A 427 -3.364 2.631 8.062 1.00 0.00 N ATOM 0 H LYS A 427 -1.856 6.199 2.349 1.00 0.00 H new ATOM 0 HA LYS A 427 0.035 6.628 4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 427 -2.143 4.818 4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 427 -0.673 3.868 4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 427 -0.212 4.137 6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 427 -0.739 5.808 6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 427 -2.817 5.258 7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 427 -2.985 3.983 5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 427 -1.358 2.623 7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 427 -1.705 3.827 8.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 -3.174 1.930 8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 -4.068 3.316 8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 -3.732 2.148 7.217 1.00 0.00 H new ATOM 590 N ILE A 428 1.991 5.501 3.523 1.00 0.00 N ATOM 591 CA ILE A 428 3.179 5.040 2.814 1.00 0.00 C ATOM 592 C ILE A 428 3.537 3.613 3.214 1.00 0.00 C ATOM 593 O ILE A 428 3.343 3.212 4.362 1.00 0.00 O ATOM 594 CB ILE A 428 4.387 5.956 3.087 1.00 0.00 C ATOM 595 CG1 ILE A 428 4.005 7.420 2.864 1.00 0.00 C ATOM 596 CG2 ILE A 428 5.560 5.567 2.198 1.00 0.00 C ATOM 597 CD1 ILE A 428 3.523 8.115 4.119 1.00 0.00 C ATOM 0 H ILE A 428 2.169 5.843 4.467 1.00 0.00 H new ATOM 0 HA ILE A 428 2.944 5.069 1.750 1.00 0.00 H new ATOM 0 HB ILE A 428 4.689 5.833 4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 428 4.868 7.957 2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 428 3.223 7.472 2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 428 6.405 6.224 2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 428 5.844 4.535 2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 428 5.271 5.664 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 428 3.269 9.150 3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 428 2.641 7.602 4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 428 4.311 8.094 4.872 1.00 0.00 H new ATOM 609 N PHE A 429 4.060 2.848 2.260 1.00 0.00 N ATOM 610 CA PHE A 429 4.442 1.465 2.518 1.00 0.00 C ATOM 611 C PHE A 429 5.781 1.132 1.855 1.00 0.00 C ATOM 612 O PHE A 429 5.891 1.139 0.630 1.00 0.00 O ATOM 613 CB PHE A 429 3.359 0.513 2.005 1.00 0.00 C ATOM 614 CG PHE A 429 2.005 0.758 2.606 1.00 0.00 C ATOM 615 CD1 PHE A 429 1.734 0.380 3.911 1.00 0.00 C ATOM 616 CD2 PHE A 429 1.001 1.364 1.866 1.00 0.00 C ATOM 617 CE1 PHE A 429 0.489 0.602 4.468 1.00 0.00 C ATOM 618 CE2 PHE A 429 -0.246 1.589 2.417 1.00 0.00 C ATOM 619 CZ PHE A 429 -0.502 1.207 3.720 1.00 0.00 C ATOM 0 H PHE A 429 4.228 3.162 1.304 1.00 0.00 H new ATOM 0 HA PHE A 429 4.550 1.341 3.595 1.00 0.00 H new ATOM 0 HB2 PHE A 429 3.288 0.608 0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 429 3.660 -0.513 2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 429 2.505 -0.094 4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 429 1.196 1.664 0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 429 0.291 0.303 5.487 1.00 0.00 H new ATOM 0 HE2 PHE A 429 -1.019 2.063 1.830 1.00 0.00 H new ATOM 0 HZ PHE A 429 -1.476 1.381 4.153 1.00 0.00 H new ATOM 629 N PRO A 430 6.819 0.831 2.658 1.00 0.00 N ATOM 630 CA PRO A 430 8.150 0.492 2.135 1.00 0.00 C ATOM 631 C PRO A 430 8.100 -0.661 1.137 1.00 0.00 C ATOM 632 O PRO A 430 7.160 -1.455 1.138 1.00 0.00 O ATOM 633 CB PRO A 430 8.935 0.085 3.385 1.00 0.00 C ATOM 634 CG PRO A 430 8.238 0.765 4.511 1.00 0.00 C ATOM 635 CD PRO A 430 6.784 0.797 4.133 1.00 0.00 C ATOM 0 HA PRO A 430 8.598 1.323 1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 430 8.936 -0.997 3.516 1.00 0.00 H new ATOM 0 HB3 PRO A 430 9.977 0.399 3.317 1.00 0.00 H new ATOM 0 HG2 PRO A 430 8.387 0.225 5.446 1.00 0.00 H new ATOM 0 HG3 PRO A 430 8.626 1.773 4.659 1.00 0.00 H new ATOM 0 HD2 PRO A 430 6.253 -0.080 4.503 1.00 0.00 H new ATOM 0 HD3 PRO A 430 6.280 1.672 4.544 1.00 0.00 H new ATOM 643 N ALA A 431 9.116 -0.744 0.281 1.00 0.00 N ATOM 644 CA ALA A 431 9.184 -1.797 -0.728 1.00 0.00 C ATOM 645 C ALA A 431 9.046 -3.180 -0.098 1.00 0.00 C ATOM 646 O ALA A 431 8.481 -4.092 -0.701 1.00 0.00 O ATOM 647 CB ALA A 431 10.488 -1.698 -1.505 1.00 0.00 C ATOM 0 H ALA A 431 9.903 -0.095 0.266 1.00 0.00 H new ATOM 0 HA ALA A 431 8.349 -1.658 -1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 431 10.526 -2.489 -2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 431 10.545 -0.728 -1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 431 11.329 -1.806 -0.820 1.00 0.00 H new ATOM 653 N THR A 432 9.553 -3.326 1.122 1.00 0.00 N ATOM 654 CA THR A 432 9.472 -4.598 1.833 1.00 0.00 C ATOM 655 C THR A 432 8.057 -4.836 2.345 1.00 0.00 C ATOM 656 O THR A 432 7.656 -5.976 2.585 1.00 0.00 O ATOM 657 CB THR A 432 10.463 -4.623 2.998 1.00 0.00 C ATOM 658 OG1 THR A 432 10.402 -5.862 3.681 1.00 0.00 O ATOM 659 CG2 THR A 432 10.221 -3.527 4.013 1.00 0.00 C ATOM 0 H THR A 432 10.023 -2.582 1.638 1.00 0.00 H new ATOM 0 HA THR A 432 9.729 -5.396 1.136 1.00 0.00 H new ATOM 0 HB THR A 432 11.443 -4.468 2.547 1.00 0.00 H new ATOM 0 HG1 THR A 432 11.044 -5.859 4.422 1.00 0.00 H new ATOM 0 HG21 THR A 432 10.958 -3.602 4.812 1.00 0.00 H new ATOM 0 HG22 THR A 432 10.310 -2.555 3.527 1.00 0.00 H new ATOM 0 HG23 THR A 432 9.220 -3.633 4.431 1.00 0.00 H new ATOM 667 N GLU A 433 7.299 -3.754 2.502 1.00 0.00 N ATOM 668 CA GLU A 433 5.925 -3.848 2.973 1.00 0.00 C ATOM 669 C GLU A 433 4.953 -3.956 1.799 1.00 0.00 C ATOM 670 O GLU A 433 3.751 -3.750 1.960 1.00 0.00 O ATOM 671 CB GLU A 433 5.577 -2.633 3.837 1.00 0.00 C ATOM 672 CG GLU A 433 5.308 -2.980 5.292 1.00 0.00 C ATOM 673 CD GLU A 433 6.450 -2.585 6.208 1.00 0.00 C ATOM 674 OE1 GLU A 433 7.159 -1.608 5.887 1.00 0.00 O ATOM 675 OE2 GLU A 433 6.638 -3.255 7.247 1.00 0.00 O ATOM 0 H GLU A 433 7.615 -2.804 2.309 1.00 0.00 H new ATOM 0 HA GLU A 433 5.833 -4.750 3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 433 6.397 -1.916 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 433 4.698 -2.141 3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 433 4.396 -2.480 5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 433 5.132 -4.052 5.379 1.00 0.00 H new ATOM 682 N LYS A 434 5.481 -4.283 0.619 1.00 0.00 N ATOM 683 CA LYS A 434 4.655 -4.420 -0.574 1.00 0.00 C ATOM 684 C LYS A 434 3.529 -5.416 -0.334 1.00 0.00 C ATOM 685 O LYS A 434 2.429 -5.265 -0.865 1.00 0.00 O ATOM 686 CB LYS A 434 5.507 -4.870 -1.762 1.00 0.00 C ATOM 687 CG LYS A 434 4.794 -4.751 -3.100 1.00 0.00 C ATOM 688 CD LYS A 434 5.551 -5.475 -4.201 1.00 0.00 C ATOM 689 CE LYS A 434 5.207 -4.916 -5.574 1.00 0.00 C ATOM 690 NZ LYS A 434 5.036 -5.996 -6.584 1.00 0.00 N ATOM 0 H LYS A 434 6.475 -4.457 0.467 1.00 0.00 H new ATOM 0 HA LYS A 434 4.218 -3.448 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 434 6.419 -4.274 -1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 434 5.808 -5.907 -1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 434 3.789 -5.164 -3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 434 4.685 -3.699 -3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 434 6.623 -5.383 -4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 434 5.313 -6.538 -4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 434 4.290 -4.331 -5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 434 5.996 -4.237 -5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 4.803 -5.575 -7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 5.919 -6.539 -6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 4.266 -6.630 -6.288 1.00 0.00 H new ATOM 704 N GLN A 435 3.809 -6.430 0.476 1.00 0.00 N ATOM 705 CA GLN A 435 2.814 -7.446 0.795 1.00 0.00 C ATOM 706 C GLN A 435 1.654 -6.818 1.562 1.00 0.00 C ATOM 707 O GLN A 435 0.484 -6.989 1.206 1.00 0.00 O ATOM 708 CB GLN A 435 3.445 -8.570 1.624 1.00 0.00 C ATOM 709 CG GLN A 435 4.878 -8.899 1.228 1.00 0.00 C ATOM 710 CD GLN A 435 5.334 -10.244 1.758 1.00 0.00 C ATOM 711 OE1 GLN A 435 6.360 -10.344 2.431 1.00 0.00 O ATOM 712 NE2 GLN A 435 4.574 -11.289 1.454 1.00 0.00 N ATOM 0 H GLN A 435 4.715 -6.570 0.923 1.00 0.00 H new ATOM 0 HA GLN A 435 2.437 -7.870 -0.136 1.00 0.00 H new ATOM 0 HB2 GLN A 435 3.425 -8.287 2.676 1.00 0.00 H new ATOM 0 HB3 GLN A 435 2.835 -9.468 1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 435 4.961 -8.893 0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 435 5.543 -8.120 1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 435 3.732 -11.161 0.893 1.00 0.00 H new ATOM 0 HE22 GLN A 435 4.832 -12.220 1.781 1.00 0.00 H new ATOM 721 N ILE A 436 1.994 -6.063 2.603 1.00 0.00 N ATOM 722 CA ILE A 436 0.991 -5.383 3.408 1.00 0.00 C ATOM 723 C ILE A 436 0.341 -4.275 2.595 1.00 0.00 C ATOM 724 O ILE A 436 -0.849 -3.996 2.739 1.00 0.00 O ATOM 725 CB ILE A 436 1.601 -4.788 4.694 1.00 0.00 C ATOM 726 CG1 ILE A 436 2.283 -5.884 5.514 1.00 0.00 C ATOM 727 CG2 ILE A 436 0.530 -4.091 5.522 1.00 0.00 C ATOM 728 CD1 ILE A 436 3.744 -6.078 5.171 1.00 0.00 C ATOM 0 H ILE A 436 2.956 -5.908 2.906 1.00 0.00 H new ATOM 0 HA ILE A 436 0.242 -6.120 3.698 1.00 0.00 H new ATOM 0 HB ILE A 436 2.350 -4.048 4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 436 2.196 -5.641 6.573 1.00 0.00 H new ATOM 0 HG13 ILE A 436 1.754 -6.824 5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 436 0.980 -3.678 6.425 1.00 0.00 H new ATOM 0 HG22 ILE A 436 0.085 -3.286 4.937 1.00 0.00 H new ATOM 0 HG23 ILE A 436 -0.242 -4.810 5.797 1.00 0.00 H new ATOM 0 HD11 ILE A 436 4.161 -6.871 5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 436 3.838 -6.353 4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 436 4.287 -5.151 5.353 1.00 0.00 H new ATOM 740 N PHE A 437 1.132 -3.656 1.723 1.00 0.00 N ATOM 741 CA PHE A 437 0.634 -2.591 0.869 1.00 0.00 C ATOM 742 C PHE A 437 -0.415 -3.141 -0.089 1.00 0.00 C ATOM 743 O PHE A 437 -1.487 -2.561 -0.253 1.00 0.00 O ATOM 744 CB PHE A 437 1.781 -1.952 0.080 1.00 0.00 C ATOM 745 CG PHE A 437 1.317 -0.973 -0.960 1.00 0.00 C ATOM 746 CD1 PHE A 437 0.291 -0.084 -0.681 1.00 0.00 C ATOM 747 CD2 PHE A 437 1.899 -0.944 -2.217 1.00 0.00 C ATOM 748 CE1 PHE A 437 -0.147 0.812 -1.634 1.00 0.00 C ATOM 749 CE2 PHE A 437 1.466 -0.047 -3.175 1.00 0.00 C ATOM 750 CZ PHE A 437 0.441 0.831 -2.882 1.00 0.00 C ATOM 0 H PHE A 437 2.119 -3.876 1.592 1.00 0.00 H new ATOM 0 HA PHE A 437 0.179 -1.826 1.498 1.00 0.00 H new ATOM 0 HB2 PHE A 437 2.450 -1.444 0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 437 2.361 -2.738 -0.404 1.00 0.00 H new ATOM 0 HD1 PHE A 437 -0.171 -0.093 0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 437 2.700 -1.630 -2.451 1.00 0.00 H new ATOM 0 HE1 PHE A 437 -0.949 1.498 -1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 437 1.928 -0.033 -4.151 1.00 0.00 H new ATOM 0 HZ PHE A 437 0.100 1.532 -3.629 1.00 0.00 H new ATOM 760 N GLU A 438 -0.101 -4.275 -0.710 1.00 0.00 N ATOM 761 CA GLU A 438 -1.022 -4.913 -1.641 1.00 0.00 C ATOM 762 C GLU A 438 -2.329 -5.233 -0.933 1.00 0.00 C ATOM 763 O GLU A 438 -3.413 -4.983 -1.462 1.00 0.00 O ATOM 764 CB GLU A 438 -0.406 -6.190 -2.214 1.00 0.00 C ATOM 765 CG GLU A 438 0.380 -5.966 -3.496 1.00 0.00 C ATOM 766 CD GLU A 438 -0.133 -6.805 -4.651 1.00 0.00 C ATOM 767 OE1 GLU A 438 -0.086 -8.049 -4.547 1.00 0.00 O ATOM 768 OE2 GLU A 438 -0.580 -6.218 -5.658 1.00 0.00 O ATOM 0 H GLU A 438 0.783 -4.769 -0.585 1.00 0.00 H new ATOM 0 HA GLU A 438 -1.220 -4.227 -2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 438 0.253 -6.632 -1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 438 -1.200 -6.912 -2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 438 0.331 -4.912 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 438 1.430 -6.201 -3.320 1.00 0.00 H new ATOM 775 N ASP A 439 -2.218 -5.768 0.278 1.00 0.00 N ATOM 776 CA ASP A 439 -3.394 -6.095 1.070 1.00 0.00 C ATOM 777 C ASP A 439 -4.125 -4.818 1.472 1.00 0.00 C ATOM 778 O ASP A 439 -5.355 -4.778 1.519 1.00 0.00 O ATOM 779 CB ASP A 439 -2.994 -6.886 2.318 1.00 0.00 C ATOM 780 CG ASP A 439 -4.091 -7.823 2.785 1.00 0.00 C ATOM 781 OD1 ASP A 439 -4.217 -8.923 2.209 1.00 0.00 O ATOM 782 OD2 ASP A 439 -4.826 -7.455 3.726 1.00 0.00 O ATOM 0 H ASP A 439 -1.329 -5.983 0.730 1.00 0.00 H new ATOM 0 HA ASP A 439 -4.061 -6.711 0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.093 -7.462 2.106 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -2.747 -6.192 3.121 1.00 0.00 H new ATOM 787 N HIS A 440 -3.351 -3.772 1.757 1.00 0.00 N ATOM 788 CA HIS A 440 -3.910 -2.486 2.154 1.00 0.00 C ATOM 789 C HIS A 440 -4.728 -1.871 1.022 1.00 0.00 C ATOM 790 O HIS A 440 -5.854 -1.420 1.234 1.00 0.00 O ATOM 791 CB HIS A 440 -2.786 -1.531 2.564 1.00 0.00 C ATOM 792 CG HIS A 440 -3.268 -0.178 2.989 1.00 0.00 C ATOM 793 ND1 HIS A 440 -3.867 0.077 4.201 1.00 0.00 N ATOM 794 CD2 HIS A 440 -3.222 1.010 2.336 1.00 0.00 C ATOM 795 CE1 HIS A 440 -4.160 1.383 4.247 1.00 0.00 C ATOM 796 NE2 HIS A 440 -3.787 1.994 3.141 1.00 0.00 N ATOM 0 H HIS A 440 -2.332 -3.793 1.719 1.00 0.00 H new ATOM 0 HA HIS A 440 -4.572 -2.650 3.004 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.221 -1.979 3.382 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -2.097 -1.415 1.727 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -4.055 -0.607 4.934 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.812 1.167 1.349 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -4.640 1.872 5.082 1.00 0.00 H new ATOM 804 N VAL A 441 -4.162 -1.861 -0.182 1.00 0.00 N ATOM 805 CA VAL A 441 -4.858 -1.307 -1.339 1.00 0.00 C ATOM 806 C VAL A 441 -6.066 -2.163 -1.695 1.00 0.00 C ATOM 807 O VAL A 441 -7.086 -1.656 -2.163 1.00 0.00 O ATOM 808 CB VAL A 441 -3.941 -1.195 -2.577 1.00 0.00 C ATOM 809 CG1 VAL A 441 -4.455 -0.122 -3.522 1.00 0.00 C ATOM 810 CG2 VAL A 441 -2.503 -0.901 -2.173 1.00 0.00 C ATOM 0 H VAL A 441 -3.231 -2.227 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 441 -5.178 -0.303 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 441 -3.956 -2.155 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -3.798 -0.056 -4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -5.463 -0.378 -3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -4.474 0.838 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.882 -0.828 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.464 0.041 -1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.132 -1.705 -1.538 1.00 0.00 H new ATOM 820 N PHE A 442 -5.944 -3.467 -1.465 1.00 0.00 N ATOM 821 CA PHE A 442 -7.025 -4.400 -1.755 1.00 0.00 C ATOM 822 C PHE A 442 -8.241 -4.100 -0.884 1.00 0.00 C ATOM 823 O PHE A 442 -9.376 -4.111 -1.361 1.00 0.00 O ATOM 824 CB PHE A 442 -6.560 -5.841 -1.527 1.00 0.00 C ATOM 825 CG PHE A 442 -6.189 -6.559 -2.793 1.00 0.00 C ATOM 826 CD1 PHE A 442 -6.998 -6.477 -3.915 1.00 0.00 C ATOM 827 CD2 PHE A 442 -5.032 -7.319 -2.861 1.00 0.00 C ATOM 828 CE1 PHE A 442 -6.660 -7.138 -5.081 1.00 0.00 C ATOM 829 CE2 PHE A 442 -4.688 -7.982 -4.022 1.00 0.00 C ATOM 830 CZ PHE A 442 -5.503 -7.892 -5.134 1.00 0.00 C ATOM 0 H PHE A 442 -5.106 -3.901 -1.078 1.00 0.00 H new ATOM 0 HA PHE A 442 -7.308 -4.281 -2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 442 -5.700 -5.835 -0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 442 -7.353 -6.395 -1.024 1.00 0.00 H new ATOM 0 HD1 PHE A 442 -7.904 -5.890 -3.878 1.00 0.00 H new ATOM 0 HD2 PHE A 442 -4.391 -7.393 -1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 442 -7.299 -7.065 -5.949 1.00 0.00 H new ATOM 0 HE2 PHE A 442 -3.783 -8.570 -4.061 1.00 0.00 H new ATOM 0 HZ PHE A 442 -5.236 -8.410 -6.043 1.00 0.00 H new ATOM 840 N CYS A 443 -7.996 -3.828 0.394 1.00 0.00 N ATOM 841 CA CYS A 443 -9.073 -3.519 1.331 1.00 0.00 C ATOM 842 C CYS A 443 -9.927 -2.366 0.814 1.00 0.00 C ATOM 843 O CYS A 443 -11.124 -2.290 1.092 1.00 0.00 O ATOM 844 CB CYS A 443 -8.497 -3.164 2.704 1.00 0.00 C ATOM 845 SG CYS A 443 -9.650 -3.409 4.074 1.00 0.00 S ATOM 0 H CYS A 443 -7.063 -3.815 0.805 1.00 0.00 H new ATOM 0 HA CYS A 443 -9.704 -4.403 1.426 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -7.607 -3.768 2.880 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -8.178 -2.122 2.694 1.00 0.00 H new ATOM 0 HG CYS A 443 -9.071 -3.084 5.192 1.00 0.00 H new ATOM 851 N HIS A 444 -9.298 -1.471 0.062 1.00 0.00 N ATOM 852 CA HIS A 444 -9.989 -0.316 -0.499 1.00 0.00 C ATOM 853 C HIS A 444 -10.791 -0.705 -1.739 1.00 0.00 C ATOM 854 O HIS A 444 -11.754 -0.030 -2.103 1.00 0.00 O ATOM 855 CB HIS A 444 -8.979 0.780 -0.840 1.00 0.00 C ATOM 856 CG HIS A 444 -7.965 0.999 0.239 1.00 0.00 C ATOM 857 ND1 HIS A 444 -8.249 0.907 1.583 1.00 0.00 N ATOM 858 CD2 HIS A 444 -6.643 1.297 0.156 1.00 0.00 C ATOM 859 CE1 HIS A 444 -7.119 1.147 2.259 1.00 0.00 C ATOM 860 NE2 HIS A 444 -6.114 1.387 1.439 1.00 0.00 N ATOM 0 H HIS A 444 -8.307 -1.523 -0.174 1.00 0.00 H new ATOM 0 HA HIS A 444 -10.688 0.062 0.247 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -8.466 0.518 -1.765 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -9.512 1.713 -1.024 1.00 0.00 H new ATOM 0 HD1 HIS A 444 -9.159 0.694 1.991 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.090 1.441 -0.761 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -7.040 1.144 3.336 1.00 0.00 H new ATOM 868 N SER A 445 -10.392 -1.798 -2.382 1.00 0.00 N ATOM 869 CA SER A 445 -11.078 -2.275 -3.578 1.00 0.00 C ATOM 870 C SER A 445 -12.192 -3.258 -3.219 1.00 0.00 C ATOM 871 O SER A 445 -13.057 -3.556 -4.044 1.00 0.00 O ATOM 872 CB SER A 445 -10.084 -2.942 -4.530 1.00 0.00 C ATOM 873 OG SER A 445 -9.016 -2.066 -4.848 1.00 0.00 O ATOM 0 H SER A 445 -9.598 -2.370 -2.095 1.00 0.00 H new ATOM 0 HA SER A 445 -11.526 -1.413 -4.073 1.00 0.00 H new ATOM 0 HB2 SER A 445 -9.690 -3.849 -4.072 1.00 0.00 H new ATOM 0 HB3 SER A 445 -10.596 -3.242 -5.444 1.00 0.00 H new ATOM 0 HG SER A 445 -8.448 -1.943 -4.059 1.00 0.00 H new ATOM 879 N LEU A 446 -12.169 -3.759 -1.986 1.00 0.00 N ATOM 880 CA LEU A 446 -13.179 -4.706 -1.526 1.00 0.00 C ATOM 881 C LEU A 446 -13.401 -4.578 -0.022 1.00 0.00 C ATOM 882 O LEU A 446 -14.334 -3.849 0.377 1.00 0.00 O ATOM 883 CB LEU A 446 -12.764 -6.139 -1.870 1.00 0.00 C ATOM 884 CG LEU A 446 -11.263 -6.420 -1.786 1.00 0.00 C ATOM 885 CD1 LEU A 446 -11.013 -7.856 -1.350 1.00 0.00 C ATOM 886 CD2 LEU A 446 -10.593 -6.143 -3.123 1.00 0.00 C ATOM 887 OXT LEU A 446 -12.640 -5.207 0.743 1.00 0.00 O ATOM 0 H LEU A 446 -11.462 -3.525 -1.289 1.00 0.00 H new ATOM 0 HA LEU A 446 -14.114 -4.474 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 446 -13.283 -6.822 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 446 -13.104 -6.366 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 446 -10.829 -5.754 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 446 -9.940 -8.038 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 446 -11.459 -8.021 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 446 -11.461 -8.539 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 446 -9.525 -6.348 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 446 -11.030 -6.784 -3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 446 -10.742 -5.098 -3.395 1.00 0.00 H new TER 899 LEU A 446 HETATM 900 ZN ZN A 447 -5.064 3.049 2.006 1.00 0.00 ZN