USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=15 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 33:sc= 0.0406 USER MOD Single : A 393 SER OG : rot 180:sc= -0.109 USER MOD Single : A 395 LYS NZ :NH3+ -110:sc=-0.00317 (180deg=-0.315) 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 46:sc= 0.203 USER MOD Single : A 401 LYS NZ :NH3+ -149:sc= -0.167 (180deg=-0.765) USER MOD Single : A 406 CYS SG : rot 180:sc= 0 USER MOD Single : A 408 HIS : no HE2:sc= -1.74 K(o=-1.7,f=-3.4!) 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) USER MOD Single : A 413 GLN : amide:sc= 0 X(o=0,f=0.082) USER MOD Single : A 414 GLN :FLIP amide:sc= -0.516 F(o=-1.6,f=-0.52) USER MOD Single : A 415 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 416 GLN : amide:sc= -1.41 K(o=-1.4,f=-2.4) USER MOD Single : A 419 CYS SG : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc= -0.399 X(o=-0.4,f=-0.032) USER MOD Single : A 427 LYS NZ :NH3+ 149:sc= -0.171 (180deg=-0.914) USER MOD Single : A 432 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 434 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.25) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 445 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 390 37.404 1.093 -24.838 1.00 0.00 N ATOM 2 CA SER A 390 35.948 0.817 -24.719 1.00 0.00 C ATOM 3 C SER A 390 35.120 1.930 -25.359 1.00 0.00 C ATOM 4 O SER A 390 35.539 3.087 -25.388 1.00 0.00 O ATOM 5 CB SER A 390 35.598 0.686 -23.234 1.00 0.00 C ATOM 6 OG SER A 390 36.265 -0.420 -22.649 1.00 0.00 O ATOM 0 HA SER A 390 35.715 -0.109 -25.245 1.00 0.00 H new ATOM 0 HB2 SER A 390 35.875 1.601 -22.710 1.00 0.00 H new ATOM 0 HB3 SER A 390 34.521 0.567 -23.120 1.00 0.00 H new ATOM 0 HG SER A 390 37.137 -0.541 -23.079 1.00 0.00 H new ATOM 14 N PRO A 391 33.929 1.591 -25.881 1.00 0.00 N ATOM 15 CA PRO A 391 33.043 2.569 -26.522 1.00 0.00 C ATOM 16 C PRO A 391 32.458 3.564 -25.525 1.00 0.00 C ATOM 17 O PRO A 391 32.132 4.696 -25.881 1.00 0.00 O ATOM 18 CB PRO A 391 31.934 1.704 -27.128 1.00 0.00 C ATOM 19 CG PRO A 391 31.927 0.464 -26.304 1.00 0.00 C ATOM 20 CD PRO A 391 33.353 0.234 -25.888 1.00 0.00 C ATOM 0 HA PRO A 391 33.573 3.179 -27.254 1.00 0.00 H new ATOM 0 HB2 PRO A 391 30.970 2.211 -27.088 1.00 0.00 H new ATOM 0 HB3 PRO A 391 32.134 1.482 -28.176 1.00 0.00 H new ATOM 0 HG2 PRO A 391 31.280 0.578 -25.434 1.00 0.00 H new ATOM 0 HG3 PRO A 391 31.546 -0.382 -26.876 1.00 0.00 H new ATOM 0 HD2 PRO A 391 33.415 -0.234 -24.905 1.00 0.00 H new ATOM 0 HD3 PRO A 391 33.875 -0.421 -26.586 1.00 0.00 H new ATOM 28 N LEU A 392 32.328 3.133 -24.274 1.00 0.00 N ATOM 29 CA LEU A 392 31.782 3.986 -23.224 1.00 0.00 C ATOM 30 C LEU A 392 32.864 4.373 -22.221 1.00 0.00 C ATOM 31 O LEU A 392 33.877 3.686 -22.089 1.00 0.00 O ATOM 32 CB LEU A 392 30.634 3.276 -22.505 1.00 0.00 C ATOM 33 CG LEU A 392 30.960 1.872 -21.991 1.00 0.00 C ATOM 34 CD1 LEU A 392 30.362 1.655 -20.610 1.00 0.00 C ATOM 35 CD2 LEU A 392 30.455 0.816 -22.965 1.00 0.00 C ATOM 0 H LEU A 392 32.593 2.199 -23.963 1.00 0.00 H new ATOM 0 HA LEU A 392 31.401 4.895 -23.690 1.00 0.00 H new ATOM 0 HB2 LEU A 392 30.318 3.891 -21.662 1.00 0.00 H new ATOM 0 HB3 LEU A 392 29.785 3.209 -23.186 1.00 0.00 H new ATOM 0 HG LEU A 392 32.043 1.778 -21.913 1.00 0.00 H new ATOM 0 HD11 LEU A 392 30.605 0.651 -20.262 1.00 0.00 H new ATOM 0 HD12 LEU A 392 30.773 2.389 -19.916 1.00 0.00 H new ATOM 0 HD13 LEU A 392 29.279 1.770 -20.660 1.00 0.00 H new ATOM 0 HD21 LEU A 392 30.696 -0.176 -22.583 1.00 0.00 H new ATOM 0 HD22 LEU A 392 29.375 0.910 -23.076 1.00 0.00 H new ATOM 0 HD23 LEU A 392 30.933 0.957 -23.935 1.00 0.00 H new ATOM 47 N SER A 393 32.641 5.477 -21.515 1.00 0.00 N ATOM 48 CA SER A 393 33.597 5.955 -20.523 1.00 0.00 C ATOM 49 C SER A 393 32.898 6.775 -19.445 1.00 0.00 C ATOM 50 O SER A 393 33.141 6.591 -18.252 1.00 0.00 O ATOM 51 CB SER A 393 34.685 6.796 -21.194 1.00 0.00 C ATOM 52 OG SER A 393 35.333 6.064 -22.220 1.00 0.00 O ATOM 0 H SER A 393 31.807 6.057 -21.611 1.00 0.00 H new ATOM 0 HA SER A 393 34.058 5.086 -20.053 1.00 0.00 H new ATOM 0 HB2 SER A 393 34.244 7.701 -21.611 1.00 0.00 H new ATOM 0 HB3 SER A 393 35.416 7.111 -20.450 1.00 0.00 H new ATOM 0 HG SER A 393 36.023 6.623 -22.635 1.00 0.00 H new ATOM 58 N ILE A 394 32.029 7.680 -19.875 1.00 0.00 N ATOM 59 CA ILE A 394 31.291 8.532 -18.951 1.00 0.00 C ATOM 60 C ILE A 394 30.026 7.836 -18.457 1.00 0.00 C ATOM 61 O ILE A 394 29.314 7.199 -19.234 1.00 0.00 O ATOM 62 CB ILE A 394 30.919 9.881 -19.607 1.00 0.00 C ATOM 63 CG1 ILE A 394 30.377 10.861 -18.558 1.00 0.00 C ATOM 64 CG2 ILE A 394 29.916 9.675 -20.736 1.00 0.00 C ATOM 65 CD1 ILE A 394 28.964 10.562 -18.097 1.00 0.00 C ATOM 0 H ILE A 394 31.817 7.843 -20.859 1.00 0.00 H new ATOM 0 HA ILE A 394 31.944 8.726 -18.100 1.00 0.00 H new ATOM 0 HB ILE A 394 31.822 10.314 -20.037 1.00 0.00 H new ATOM 0 HG12 ILE A 394 31.039 10.851 -17.692 1.00 0.00 H new ATOM 0 HG13 ILE A 394 30.407 11.870 -18.970 1.00 0.00 H new ATOM 0 HG21 ILE A 394 29.669 10.638 -21.183 1.00 0.00 H new ATOM 0 HG22 ILE A 394 30.350 9.024 -21.494 1.00 0.00 H new ATOM 0 HG23 ILE A 394 29.011 9.216 -20.339 1.00 0.00 H new ATOM 0 HD11 ILE A 394 28.659 11.301 -17.357 1.00 0.00 H new ATOM 0 HD12 ILE A 394 28.287 10.602 -18.950 1.00 0.00 H new ATOM 0 HD13 ILE A 394 28.929 9.568 -17.652 1.00 0.00 H new ATOM 77 N LYS A 395 29.754 7.960 -17.163 1.00 0.00 N ATOM 78 CA LYS A 395 28.575 7.343 -16.566 1.00 0.00 C ATOM 79 C LYS A 395 27.582 8.403 -16.098 1.00 0.00 C ATOM 80 O LYS A 395 27.928 9.288 -15.315 1.00 0.00 O ATOM 81 CB LYS A 395 28.982 6.448 -15.392 1.00 0.00 C ATOM 82 CG LYS A 395 28.389 5.051 -15.459 1.00 0.00 C ATOM 83 CD LYS A 395 29.237 4.127 -16.316 1.00 0.00 C ATOM 84 CE LYS A 395 30.332 3.458 -15.500 1.00 0.00 C ATOM 85 NZ LYS A 395 31.651 4.121 -15.691 1.00 0.00 N ATOM 0 H LYS A 395 30.334 8.482 -16.507 1.00 0.00 H new ATOM 0 HA LYS A 395 28.090 6.732 -17.327 1.00 0.00 H new ATOM 0 HB2 LYS A 395 30.069 6.371 -15.364 1.00 0.00 H new ATOM 0 HB3 LYS A 395 28.672 6.921 -14.460 1.00 0.00 H new ATOM 0 HG2 LYS A 395 28.306 4.641 -14.452 1.00 0.00 H new ATOM 0 HG3 LYS A 395 27.379 5.102 -15.867 1.00 0.00 H new ATOM 0 HD2 LYS A 395 28.603 3.365 -16.769 1.00 0.00 H new ATOM 0 HD3 LYS A 395 29.685 4.695 -17.131 1.00 0.00 H new ATOM 0 HE2 LYS A 395 30.063 3.482 -14.444 1.00 0.00 H new ATOM 0 HE3 LYS A 395 30.408 2.409 -15.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 32.281 3.493 -16.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 31.520 5.011 -16.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 32.075 4.323 -14.763 1.00 0.00 H new ATOM 99 N LYS A 396 26.348 8.304 -16.581 1.00 0.00 N ATOM 100 CA LYS A 396 25.305 9.254 -16.210 1.00 0.00 C ATOM 101 C LYS A 396 24.390 8.666 -15.141 1.00 0.00 C ATOM 102 O LYS A 396 23.766 7.626 -15.348 1.00 0.00 O ATOM 103 CB LYS A 396 24.484 9.647 -17.440 1.00 0.00 C ATOM 104 CG LYS A 396 23.966 8.459 -18.232 1.00 0.00 C ATOM 105 CD LYS A 396 22.566 8.712 -18.768 1.00 0.00 C ATOM 106 CE LYS A 396 22.387 8.124 -20.158 1.00 0.00 C ATOM 107 NZ LYS A 396 22.111 6.660 -20.110 1.00 0.00 N ATOM 0 H LYS A 396 26.046 7.577 -17.229 1.00 0.00 H new ATOM 0 HA LYS A 396 25.786 10.143 -15.803 1.00 0.00 H new ATOM 0 HB2 LYS A 396 23.639 10.257 -17.122 1.00 0.00 H new ATOM 0 HB3 LYS A 396 25.098 10.268 -18.093 1.00 0.00 H new ATOM 0 HG2 LYS A 396 24.642 8.251 -19.062 1.00 0.00 H new ATOM 0 HG3 LYS A 396 23.959 7.573 -17.597 1.00 0.00 H new ATOM 0 HD2 LYS A 396 21.832 8.277 -18.090 1.00 0.00 H new ATOM 0 HD3 LYS A 396 22.375 9.785 -18.798 1.00 0.00 H new ATOM 0 HE2 LYS A 396 21.566 8.632 -20.664 1.00 0.00 H new ATOM 0 HE3 LYS A 396 23.286 8.305 -20.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 21.995 6.297 -21.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 22.906 6.172 -19.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 21.239 6.489 -19.569 1.00 0.00 H new ATOM 121 N CYS A 397 24.317 9.339 -13.997 1.00 0.00 N ATOM 122 CA CYS A 397 23.479 8.882 -12.895 1.00 0.00 C ATOM 123 C CYS A 397 22.039 9.345 -13.075 1.00 0.00 C ATOM 124 O CYS A 397 21.789 10.436 -13.588 1.00 0.00 O ATOM 125 CB CYS A 397 24.029 9.389 -11.561 1.00 0.00 C ATOM 126 SG CYS A 397 25.219 8.275 -10.782 1.00 0.00 S ATOM 0 H CYS A 397 24.828 10.202 -13.809 1.00 0.00 H new ATOM 0 HA CYS A 397 23.492 7.792 -12.893 1.00 0.00 H new ATOM 0 HB2 CYS A 397 24.504 10.357 -11.721 1.00 0.00 H new ATOM 0 HB3 CYS A 397 23.197 9.552 -10.876 1.00 0.00 H new ATOM 0 HG CYS A 397 25.628 8.792 -9.661 1.00 0.00 H new ATOM 132 N PRO A 398 21.068 8.518 -12.654 1.00 0.00 N ATOM 133 CA PRO A 398 19.649 8.853 -12.776 1.00 0.00 C ATOM 134 C PRO A 398 19.259 10.020 -11.879 1.00 0.00 C ATOM 135 O PRO A 398 19.615 10.061 -10.701 1.00 0.00 O ATOM 136 CB PRO A 398 18.935 7.574 -12.332 1.00 0.00 C ATOM 137 CG PRO A 398 19.920 6.866 -11.468 1.00 0.00 C ATOM 138 CD PRO A 398 21.274 7.197 -12.031 1.00 0.00 C ATOM 0 HA PRO A 398 19.389 9.166 -13.787 1.00 0.00 H new ATOM 0 HB2 PRO A 398 18.021 7.802 -11.784 1.00 0.00 H new ATOM 0 HB3 PRO A 398 18.650 6.963 -13.188 1.00 0.00 H new ATOM 0 HG2 PRO A 398 19.837 7.194 -10.432 1.00 0.00 H new ATOM 0 HG3 PRO A 398 19.745 5.790 -11.477 1.00 0.00 H new ATOM 0 HD2 PRO A 398 22.036 7.234 -11.252 1.00 0.00 H new ATOM 0 HD3 PRO A 398 21.599 6.455 -12.760 1.00 0.00 H new ATOM 146 N ILE A 399 18.525 10.964 -12.449 1.00 0.00 N ATOM 147 CA ILE A 399 18.078 12.139 -11.711 1.00 0.00 C ATOM 148 C ILE A 399 19.261 12.997 -11.275 1.00 0.00 C ATOM 149 O ILE A 399 19.892 12.728 -10.253 1.00 0.00 O ATOM 150 CB ILE A 399 17.260 11.743 -10.466 1.00 0.00 C ATOM 151 CG1 ILE A 399 16.178 10.729 -10.841 1.00 0.00 C ATOM 152 CG2 ILE A 399 16.638 12.977 -9.826 1.00 0.00 C ATOM 153 CD1 ILE A 399 15.632 9.963 -9.656 1.00 0.00 C ATOM 0 H ILE A 399 18.225 10.940 -13.424 1.00 0.00 H new ATOM 0 HA ILE A 399 17.444 12.714 -12.386 1.00 0.00 H new ATOM 0 HB ILE A 399 17.930 11.280 -9.742 1.00 0.00 H new ATOM 0 HG12 ILE A 399 15.358 11.250 -11.335 1.00 0.00 H new ATOM 0 HG13 ILE A 399 16.588 10.022 -11.563 1.00 0.00 H new ATOM 0 HG21 ILE A 399 16.064 12.681 -8.948 1.00 0.00 H new ATOM 0 HG22 ILE A 399 17.426 13.669 -9.528 1.00 0.00 H new ATOM 0 HG23 ILE A 399 15.979 13.466 -10.543 1.00 0.00 H new ATOM 0 HD11 ILE A 399 14.869 9.262 -9.996 1.00 0.00 H new ATOM 0 HD12 ILE A 399 16.441 9.414 -9.174 1.00 0.00 H new ATOM 0 HD13 ILE A 399 15.192 10.661 -8.943 1.00 0.00 H new ATOM 165 N CYS A 400 19.554 14.033 -12.055 1.00 0.00 N ATOM 166 CA CYS A 400 20.660 14.931 -11.750 1.00 0.00 C ATOM 167 C CYS A 400 20.608 16.176 -12.629 1.00 0.00 C ATOM 168 O CYS A 400 19.961 16.182 -13.677 1.00 0.00 O ATOM 169 CB CYS A 400 21.997 14.211 -11.939 1.00 0.00 C ATOM 170 SG CYS A 400 22.699 13.546 -10.411 1.00 0.00 S ATOM 0 H CYS A 400 19.040 14.271 -12.903 1.00 0.00 H new ATOM 0 HA CYS A 400 20.568 15.241 -10.709 1.00 0.00 H new ATOM 0 HB2 CYS A 400 21.861 13.395 -12.649 1.00 0.00 H new ATOM 0 HB3 CYS A 400 22.711 14.904 -12.383 1.00 0.00 H new ATOM 0 HG CYS A 400 21.771 12.934 -9.738 1.00 0.00 H new ATOM 176 N LYS A 401 21.294 17.229 -12.198 1.00 0.00 N ATOM 177 CA LYS A 401 21.326 18.480 -12.947 1.00 0.00 C ATOM 178 C LYS A 401 22.338 18.406 -14.084 1.00 0.00 C ATOM 179 O LYS A 401 22.158 19.030 -15.131 1.00 0.00 O ATOM 180 CB LYS A 401 21.669 19.646 -12.017 1.00 0.00 C ATOM 181 CG LYS A 401 21.131 20.984 -12.497 1.00 0.00 C ATOM 182 CD LYS A 401 22.214 21.810 -13.174 1.00 0.00 C ATOM 183 CE LYS A 401 22.782 22.861 -12.235 1.00 0.00 C ATOM 184 NZ LYS A 401 21.741 23.830 -11.791 1.00 0.00 N ATOM 0 H LYS A 401 21.835 17.241 -11.334 1.00 0.00 H new ATOM 0 HA LYS A 401 20.337 18.645 -13.375 1.00 0.00 H new ATOM 0 HB2 LYS A 401 21.270 19.438 -11.024 1.00 0.00 H new ATOM 0 HB3 LYS A 401 22.752 19.714 -11.917 1.00 0.00 H new ATOM 0 HG2 LYS A 401 20.309 20.818 -13.194 1.00 0.00 H new ATOM 0 HG3 LYS A 401 20.724 21.538 -11.651 1.00 0.00 H new ATOM 0 HD2 LYS A 401 23.015 21.153 -13.514 1.00 0.00 H new ATOM 0 HD3 LYS A 401 21.803 22.295 -14.059 1.00 0.00 H new ATOM 0 HE2 LYS A 401 23.218 22.372 -11.364 1.00 0.00 H new ATOM 0 HE3 LYS A 401 23.588 23.398 -12.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 22.179 24.758 -11.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 21.013 23.919 -12.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 21.303 23.490 -10.911 1.00 0.00 H new ATOM 198 N ALA A 402 23.405 17.640 -13.873 1.00 0.00 N ATOM 199 CA ALA A 402 24.446 17.486 -14.881 1.00 0.00 C ATOM 200 C ALA A 402 23.938 16.693 -16.082 1.00 0.00 C ATOM 201 O ALA A 402 24.418 16.867 -17.201 1.00 0.00 O ATOM 202 CB ALA A 402 25.666 16.808 -14.277 1.00 0.00 C ATOM 0 H ALA A 402 23.570 17.117 -13.013 1.00 0.00 H new ATOM 0 HA ALA A 402 24.729 18.479 -15.230 1.00 0.00 H new ATOM 0 HB1 ALA A 402 26.437 16.699 -15.040 1.00 0.00 H new ATOM 0 HB2 ALA A 402 26.051 17.415 -13.457 1.00 0.00 H new ATOM 0 HB3 ALA A 402 25.386 15.824 -13.900 1.00 0.00 H new ATOM 208 N ASP A 403 22.964 15.820 -15.840 1.00 0.00 N ATOM 209 CA ASP A 403 22.393 15.000 -16.903 1.00 0.00 C ATOM 210 C ASP A 403 21.197 15.692 -17.559 1.00 0.00 C ATOM 211 O ASP A 403 20.464 15.075 -18.332 1.00 0.00 O ATOM 212 CB ASP A 403 21.965 13.639 -16.350 1.00 0.00 C ATOM 213 CG ASP A 403 23.079 12.614 -16.411 1.00 0.00 C ATOM 214 OD1 ASP A 403 23.741 12.517 -17.465 1.00 0.00 O ATOM 215 OD2 ASP A 403 23.292 11.907 -15.403 1.00 0.00 O ATOM 0 H ASP A 403 22.555 15.663 -14.919 1.00 0.00 H new ATOM 0 HA ASP A 403 23.162 14.857 -17.662 1.00 0.00 H new ATOM 0 HB2 ASP A 403 21.639 13.756 -15.316 1.00 0.00 H new ATOM 0 HB3 ASP A 403 21.108 13.274 -16.915 1.00 0.00 H new ATOM 220 N ASP A 404 21.006 16.972 -17.250 1.00 0.00 N ATOM 221 CA ASP A 404 19.899 17.738 -17.814 1.00 0.00 C ATOM 222 C ASP A 404 18.557 17.149 -17.392 1.00 0.00 C ATOM 223 O ASP A 404 18.251 15.995 -17.691 1.00 0.00 O ATOM 224 CB ASP A 404 19.997 17.770 -19.341 1.00 0.00 C ATOM 225 CG ASP A 404 21.272 18.432 -19.824 1.00 0.00 C ATOM 226 OD1 ASP A 404 21.378 19.671 -19.710 1.00 0.00 O ATOM 227 OD2 ASP A 404 22.165 17.711 -20.317 1.00 0.00 O ATOM 0 H ASP A 404 21.603 17.500 -16.613 1.00 0.00 H new ATOM 0 HA ASP A 404 19.965 18.756 -17.431 1.00 0.00 H new ATOM 0 HB2 ASP A 404 19.951 16.752 -19.727 1.00 0.00 H new ATOM 0 HB3 ASP A 404 19.137 18.304 -19.747 1.00 0.00 H new ATOM 232 N ILE A 405 17.758 17.951 -16.696 1.00 0.00 N ATOM 233 CA ILE A 405 16.447 17.510 -16.233 1.00 0.00 C ATOM 234 C ILE A 405 15.344 17.991 -17.170 1.00 0.00 C ATOM 235 O ILE A 405 14.219 18.249 -16.740 1.00 0.00 O ATOM 236 CB ILE A 405 16.154 18.017 -14.807 1.00 0.00 C ATOM 237 CG1 ILE A 405 16.188 19.548 -14.765 1.00 0.00 C ATOM 238 CG2 ILE A 405 17.153 17.430 -13.822 1.00 0.00 C ATOM 239 CD1 ILE A 405 14.831 20.175 -14.533 1.00 0.00 C ATOM 0 H ILE A 405 17.995 18.909 -16.440 1.00 0.00 H new ATOM 0 HA ILE A 405 16.464 16.420 -16.225 1.00 0.00 H new ATOM 0 HB ILE A 405 15.155 17.690 -14.520 1.00 0.00 H new ATOM 0 HG12 ILE A 405 16.867 19.867 -13.974 1.00 0.00 H new ATOM 0 HG13 ILE A 405 16.596 19.920 -15.705 1.00 0.00 H new ATOM 0 HG21 ILE A 405 16.934 17.797 -12.819 1.00 0.00 H new ATOM 0 HG22 ILE A 405 17.080 16.343 -13.835 1.00 0.00 H new ATOM 0 HG23 ILE A 405 18.162 17.729 -14.105 1.00 0.00 H new ATOM 0 HD11 ILE A 405 14.930 21.260 -14.515 1.00 0.00 H new ATOM 0 HD12 ILE A 405 14.154 19.886 -15.337 1.00 0.00 H new ATOM 0 HD13 ILE A 405 14.430 19.831 -13.580 1.00 0.00 H new ATOM 251 N CYS A 406 15.673 18.109 -18.452 1.00 0.00 N ATOM 252 CA CYS A 406 14.710 18.559 -19.449 1.00 0.00 C ATOM 253 C CYS A 406 13.623 17.511 -19.666 1.00 0.00 C ATOM 254 O CYS A 406 12.459 17.730 -19.327 1.00 0.00 O ATOM 255 CB CYS A 406 15.417 18.858 -20.773 1.00 0.00 C ATOM 256 SG CYS A 406 14.371 19.679 -21.999 1.00 0.00 S ATOM 0 H CYS A 406 16.599 17.899 -18.824 1.00 0.00 H new ATOM 0 HA CYS A 406 14.242 19.472 -19.080 1.00 0.00 H new ATOM 0 HB2 CYS A 406 16.287 19.485 -20.575 1.00 0.00 H new ATOM 0 HB3 CYS A 406 15.787 17.923 -21.194 1.00 0.00 H new ATOM 0 HG CYS A 406 15.057 19.892 -23.082 1.00 0.00 H new ATOM 262 N ASP A 407 14.009 16.372 -20.232 1.00 0.00 N ATOM 263 CA ASP A 407 13.068 15.289 -20.493 1.00 0.00 C ATOM 264 C ASP A 407 13.408 14.060 -19.655 1.00 0.00 C ATOM 265 O ASP A 407 14.173 13.197 -20.085 1.00 0.00 O ATOM 266 CB ASP A 407 13.074 14.927 -21.980 1.00 0.00 C ATOM 267 CG ASP A 407 11.680 14.672 -22.519 1.00 0.00 C ATOM 268 OD1 ASP A 407 10.834 15.588 -22.433 1.00 0.00 O ATOM 269 OD2 ASP A 407 11.435 13.559 -23.027 1.00 0.00 O ATOM 0 H ASP A 407 14.968 16.175 -20.519 1.00 0.00 H new ATOM 0 HA ASP A 407 12.071 15.631 -20.215 1.00 0.00 H new ATOM 0 HB2 ASP A 407 13.537 15.735 -22.546 1.00 0.00 H new ATOM 0 HB3 ASP A 407 13.687 14.039 -22.132 1.00 0.00 H new ATOM 274 N HIS A 408 12.834 13.988 -18.459 1.00 0.00 N ATOM 275 CA HIS A 408 13.078 12.864 -17.561 1.00 0.00 C ATOM 276 C HIS A 408 12.119 11.714 -17.854 1.00 0.00 C ATOM 277 O HIS A 408 12.455 10.547 -17.652 1.00 0.00 O ATOM 278 CB HIS A 408 12.933 13.310 -16.103 1.00 0.00 C ATOM 279 CG HIS A 408 14.126 12.986 -15.258 1.00 0.00 C ATOM 280 ND1 HIS A 408 15.305 13.700 -15.316 1.00 0.00 N ATOM 281 CD2 HIS A 408 14.318 12.018 -14.330 1.00 0.00 C ATOM 282 CE1 HIS A 408 16.171 13.184 -14.461 1.00 0.00 C ATOM 283 NE2 HIS A 408 15.597 12.165 -13.850 1.00 0.00 N ATOM 0 H HIS A 408 12.197 14.694 -18.089 1.00 0.00 H new ATOM 0 HA HIS A 408 14.096 12.512 -17.726 1.00 0.00 H new ATOM 0 HB2 HIS A 408 12.760 14.386 -16.076 1.00 0.00 H new ATOM 0 HB3 HIS A 408 12.052 12.834 -15.672 1.00 0.00 H new ATOM 0 HD1 HIS A 408 15.481 14.500 -15.923 1.00 0.00 H new ATOM 0 HD2 HIS A 408 13.600 11.271 -14.025 1.00 0.00 H new ATOM 0 HE1 HIS A 408 17.178 13.537 -14.291 1.00 0.00 H new ATOM 292 N THR A 409 10.925 12.049 -18.331 1.00 0.00 N ATOM 293 CA THR A 409 9.919 11.043 -18.652 1.00 0.00 C ATOM 294 C THR A 409 9.522 10.257 -17.407 1.00 0.00 C ATOM 295 O THR A 409 10.275 9.408 -16.931 1.00 0.00 O ATOM 296 CB THR A 409 10.444 10.090 -19.727 1.00 0.00 C ATOM 297 OG1 THR A 409 11.250 10.784 -20.662 1.00 0.00 O ATOM 298 CG2 THR A 409 9.344 9.392 -20.496 1.00 0.00 C ATOM 0 H THR A 409 10.630 13.010 -18.504 1.00 0.00 H new ATOM 0 HA THR A 409 9.036 11.556 -19.033 1.00 0.00 H new ATOM 0 HB THR A 409 11.022 9.338 -19.190 1.00 0.00 H new ATOM 0 HG1 THR A 409 11.578 10.157 -21.340 1.00 0.00 H new ATOM 0 HG21 THR A 409 9.785 8.731 -21.242 1.00 0.00 H new ATOM 0 HG22 THR A 409 8.734 8.807 -19.808 1.00 0.00 H new ATOM 0 HG23 THR A 409 8.719 10.135 -20.992 1.00 0.00 H new ATOM 306 N LEU A 410 8.333 10.545 -16.886 1.00 0.00 N ATOM 307 CA LEU A 410 7.835 9.864 -15.697 1.00 0.00 C ATOM 308 C LEU A 410 7.656 8.371 -15.958 1.00 0.00 C ATOM 309 O LEU A 410 7.898 7.544 -15.078 1.00 0.00 O ATOM 310 CB LEU A 410 6.507 10.479 -15.250 1.00 0.00 C ATOM 311 CG LEU A 410 6.307 10.556 -13.734 1.00 0.00 C ATOM 312 CD1 LEU A 410 5.747 11.913 -13.336 1.00 0.00 C ATOM 313 CD2 LEU A 410 5.389 9.439 -13.259 1.00 0.00 C ATOM 0 H LEU A 410 7.697 11.245 -17.269 1.00 0.00 H new ATOM 0 HA LEU A 410 8.571 9.989 -14.903 1.00 0.00 H new ATOM 0 HB2 LEU A 410 6.433 11.485 -15.663 1.00 0.00 H new ATOM 0 HB3 LEU A 410 5.692 9.897 -15.680 1.00 0.00 H new ATOM 0 HG LEU A 410 7.277 10.431 -13.253 1.00 0.00 H new ATOM 0 HD11 LEU A 410 5.612 11.948 -12.255 1.00 0.00 H new ATOM 0 HD12 LEU A 410 6.441 12.696 -13.641 1.00 0.00 H new ATOM 0 HD13 LEU A 410 4.786 12.068 -13.827 1.00 0.00 H new ATOM 0 HD21 LEU A 410 5.258 9.510 -12.179 1.00 0.00 H new ATOM 0 HD22 LEU A 410 4.420 9.532 -13.749 1.00 0.00 H new ATOM 0 HD23 LEU A 410 5.831 8.474 -13.509 1.00 0.00 H new ATOM 325 N GLU A 411 7.232 8.035 -17.171 1.00 0.00 N ATOM 326 CA GLU A 411 7.022 6.642 -17.549 1.00 0.00 C ATOM 327 C GLU A 411 8.327 5.857 -17.483 1.00 0.00 C ATOM 328 O GLU A 411 8.340 4.684 -17.111 1.00 0.00 O ATOM 329 CB GLU A 411 6.431 6.557 -18.957 1.00 0.00 C ATOM 330 CG GLU A 411 5.130 7.326 -19.120 1.00 0.00 C ATOM 331 CD GLU A 411 5.339 8.704 -19.717 1.00 0.00 C ATOM 332 OE1 GLU A 411 5.616 8.789 -20.931 1.00 0.00 O ATOM 333 OE2 GLU A 411 5.224 9.698 -18.970 1.00 0.00 O ATOM 0 H GLU A 411 7.027 8.708 -17.910 1.00 0.00 H new ATOM 0 HA GLU A 411 6.319 6.202 -16.841 1.00 0.00 H new ATOM 0 HB2 GLU A 411 7.160 6.939 -19.671 1.00 0.00 H new ATOM 0 HB3 GLU A 411 6.258 5.510 -19.206 1.00 0.00 H new ATOM 0 HG2 GLU A 411 4.453 6.757 -19.757 1.00 0.00 H new ATOM 0 HG3 GLU A 411 4.646 7.424 -18.148 1.00 0.00 H new ATOM 340 N GLN A 412 9.425 6.512 -17.846 1.00 0.00 N ATOM 341 CA GLN A 412 10.737 5.874 -17.829 1.00 0.00 C ATOM 342 C GLN A 412 11.217 5.660 -16.398 1.00 0.00 C ATOM 343 O GLN A 412 11.933 4.700 -16.111 1.00 0.00 O ATOM 344 CB GLN A 412 11.749 6.724 -18.598 1.00 0.00 C ATOM 345 CG GLN A 412 12.992 5.955 -19.019 1.00 0.00 C ATOM 346 CD GLN A 412 13.320 6.132 -20.490 1.00 0.00 C ATOM 347 OE1 GLN A 412 13.215 5.192 -21.278 1.00 0.00 O ATOM 348 NE2 GLN A 412 13.718 7.341 -20.866 1.00 0.00 N ATOM 0 H GLN A 412 9.433 7.484 -18.155 1.00 0.00 H new ATOM 0 HA GLN A 412 10.649 4.901 -18.313 1.00 0.00 H new ATOM 0 HB2 GLN A 412 11.267 7.134 -19.486 1.00 0.00 H new ATOM 0 HB3 GLN A 412 12.047 7.569 -17.978 1.00 0.00 H new ATOM 0 HG2 GLN A 412 13.840 6.287 -18.419 1.00 0.00 H new ATOM 0 HG3 GLN A 412 12.847 4.895 -18.808 1.00 0.00 H new ATOM 0 HE21 GLN A 412 13.791 8.091 -20.178 1.00 0.00 H new ATOM 0 HE22 GLN A 412 13.951 7.520 -21.843 1.00 0.00 H new ATOM 357 N GLN A 413 10.820 6.559 -15.504 1.00 0.00 N ATOM 358 CA GLN A 413 11.211 6.467 -14.102 1.00 0.00 C ATOM 359 C GLN A 413 10.461 5.339 -13.401 1.00 0.00 C ATOM 360 O GLN A 413 11.058 4.535 -12.686 1.00 0.00 O ATOM 361 CB GLN A 413 10.944 7.794 -13.388 1.00 0.00 C ATOM 362 CG GLN A 413 11.695 7.940 -12.075 1.00 0.00 C ATOM 363 CD GLN A 413 10.809 7.698 -10.868 1.00 0.00 C ATOM 364 OE1 GLN A 413 10.615 6.559 -10.444 1.00 0.00 O ATOM 365 NE2 GLN A 413 10.266 8.772 -10.309 1.00 0.00 N ATOM 0 H GLN A 413 10.228 7.360 -15.725 1.00 0.00 H new ATOM 0 HA GLN A 413 12.278 6.249 -14.062 1.00 0.00 H new ATOM 0 HB2 GLN A 413 11.222 8.615 -14.049 1.00 0.00 H new ATOM 0 HB3 GLN A 413 9.875 7.886 -13.198 1.00 0.00 H new ATOM 0 HG2 GLN A 413 12.528 7.237 -12.057 1.00 0.00 H new ATOM 0 HG3 GLN A 413 12.121 8.941 -12.014 1.00 0.00 H new ATOM 0 HE21 GLN A 413 10.454 9.698 -10.694 1.00 0.00 H new ATOM 0 HE22 GLN A 413 9.660 8.672 -9.494 1.00 0.00 H new ATOM 374 N GLN A 414 9.150 5.288 -13.611 1.00 0.00 N ATOM 375 CA GLN A 414 8.318 4.258 -13.000 1.00 0.00 C ATOM 376 C GLN A 414 8.580 2.897 -13.637 1.00 0.00 C ATOM 377 O GLN A 414 8.427 2.728 -14.847 1.00 0.00 O ATOM 378 CB GLN A 414 6.838 4.622 -13.136 1.00 0.00 C ATOM 379 CG GLN A 414 6.373 4.746 -14.578 1.00 0.00 C ATOM 380 CD GLN A 414 4.954 5.269 -14.690 1.00 0.00 C ATOM 381 OE1 GLN A 414 4.818 6.546 -15.026 1.00 0.00 O flip ATOM 382 NE2 GLN A 414 3.991 4.533 -14.476 1.00 0.00 N flip ATOM 0 H GLN A 414 8.641 5.948 -14.199 1.00 0.00 H new ATOM 0 HA GLN A 414 8.575 4.199 -11.942 1.00 0.00 H new ATOM 0 HB2 GLN A 414 6.238 3.863 -12.633 1.00 0.00 H new ATOM 0 HB3 GLN A 414 6.655 5.565 -12.622 1.00 0.00 H new ATOM 0 HG2 GLN A 414 7.046 5.413 -15.117 1.00 0.00 H new ATOM 0 HG3 GLN A 414 6.436 3.771 -15.061 1.00 0.00 H new ATOM 0 HE21 GLN A 414 4.142 3.557 -14.220 1.00 0.00 H new ATOM 0 HE22 GLN A 414 3.042 4.899 -14.555 1.00 0.00 H new ATOM 391 N MET A 415 8.975 1.931 -12.815 1.00 0.00 N ATOM 392 CA MET A 415 9.258 0.584 -13.300 1.00 0.00 C ATOM 393 C MET A 415 9.191 -0.429 -12.164 1.00 0.00 C ATOM 394 O MET A 415 8.602 -1.501 -12.308 1.00 0.00 O ATOM 395 CB MET A 415 10.638 0.537 -13.959 1.00 0.00 C ATOM 396 CG MET A 415 10.892 -0.740 -14.744 1.00 0.00 C ATOM 397 SD MET A 415 12.305 -0.602 -15.856 1.00 0.00 S ATOM 398 CE MET A 415 12.107 -2.085 -16.841 1.00 0.00 C ATOM 0 H MET A 415 9.107 2.055 -11.811 1.00 0.00 H new ATOM 0 HA MET A 415 8.500 0.324 -14.039 1.00 0.00 H new ATOM 0 HB2 MET A 415 10.742 1.392 -14.627 1.00 0.00 H new ATOM 0 HB3 MET A 415 11.403 0.639 -13.189 1.00 0.00 H new ATOM 0 HG2 MET A 415 11.061 -1.562 -14.048 1.00 0.00 H new ATOM 0 HG3 MET A 415 10.002 -0.989 -15.322 1.00 0.00 H new ATOM 0 HE1 MET A 415 12.909 -2.142 -17.577 1.00 0.00 H new ATOM 0 HE2 MET A 415 12.147 -2.960 -16.193 1.00 0.00 H new ATOM 0 HE3 MET A 415 11.145 -2.056 -17.353 1.00 0.00 H new ATOM 408 N GLN A 416 9.795 -0.081 -11.036 1.00 0.00 N ATOM 409 CA GLN A 416 9.806 -0.957 -9.870 1.00 0.00 C ATOM 410 C GLN A 416 10.368 -0.233 -8.649 1.00 0.00 C ATOM 411 O GLN A 416 11.496 -0.491 -8.228 1.00 0.00 O ATOM 412 CB GLN A 416 10.630 -2.213 -10.159 1.00 0.00 C ATOM 413 CG GLN A 416 10.455 -3.308 -9.119 1.00 0.00 C ATOM 414 CD GLN A 416 11.504 -3.245 -8.025 1.00 0.00 C ATOM 415 OE1 GLN A 416 12.674 -2.967 -8.286 1.00 0.00 O ATOM 416 NE2 GLN A 416 11.088 -3.505 -6.791 1.00 0.00 N ATOM 0 H GLN A 416 10.285 0.804 -10.902 1.00 0.00 H new ATOM 0 HA GLN A 416 8.778 -1.247 -9.654 1.00 0.00 H new ATOM 0 HB2 GLN A 416 10.350 -2.604 -11.137 1.00 0.00 H new ATOM 0 HB3 GLN A 416 11.684 -1.941 -10.214 1.00 0.00 H new ATOM 0 HG2 GLN A 416 9.464 -3.225 -8.673 1.00 0.00 H new ATOM 0 HG3 GLN A 416 10.504 -4.281 -9.609 1.00 0.00 H new ATOM 0 HE21 GLN A 416 10.108 -3.731 -6.620 1.00 0.00 H new ATOM 0 HE22 GLN A 416 11.748 -3.479 -6.014 1.00 0.00 H new ATOM 425 N PRO A 417 9.585 0.688 -8.062 1.00 0.00 N ATOM 426 CA PRO A 417 10.010 1.450 -6.884 1.00 0.00 C ATOM 427 C PRO A 417 10.079 0.586 -5.629 1.00 0.00 C ATOM 428 O PRO A 417 9.498 -0.499 -5.579 1.00 0.00 O ATOM 429 CB PRO A 417 8.924 2.518 -6.740 1.00 0.00 C ATOM 430 CG PRO A 417 7.717 1.917 -7.375 1.00 0.00 C ATOM 431 CD PRO A 417 8.225 1.058 -8.500 1.00 0.00 C ATOM 0 HA PRO A 417 11.014 1.858 -7.003 1.00 0.00 H new ATOM 0 HB2 PRO A 417 8.742 2.759 -5.693 1.00 0.00 H new ATOM 0 HB3 PRO A 417 9.212 3.445 -7.235 1.00 0.00 H new ATOM 0 HG2 PRO A 417 7.152 1.324 -6.656 1.00 0.00 H new ATOM 0 HG3 PRO A 417 7.046 2.691 -7.747 1.00 0.00 H new ATOM 0 HD2 PRO A 417 7.598 0.179 -8.649 1.00 0.00 H new ATOM 0 HD3 PRO A 417 8.241 1.602 -9.445 1.00 0.00 H new ATOM 439 N LEU A 418 10.790 1.074 -4.619 1.00 0.00 N ATOM 440 CA LEU A 418 10.934 0.348 -3.364 1.00 0.00 C ATOM 441 C LEU A 418 9.943 0.852 -2.317 1.00 0.00 C ATOM 442 O LEU A 418 9.858 0.305 -1.222 1.00 0.00 O ATOM 443 CB LEU A 418 12.369 0.465 -2.839 1.00 0.00 C ATOM 444 CG LEU A 418 12.621 1.622 -1.871 1.00 0.00 C ATOM 445 CD1 LEU A 418 13.810 1.316 -0.978 1.00 0.00 C ATOM 446 CD2 LEU A 418 12.832 2.915 -2.639 1.00 0.00 C ATOM 0 H LEU A 418 11.276 1.970 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 418 10.715 -0.702 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 418 12.633 -0.468 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 418 13.042 0.572 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 418 11.745 1.745 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 418 13.976 2.149 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 418 13.611 0.411 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 418 14.698 1.168 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 418 13.010 3.730 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 418 13.693 2.810 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 418 11.944 3.135 -3.232 1.00 0.00 H new ATOM 458 N CYS A 419 9.201 1.899 -2.644 1.00 0.00 N ATOM 459 CA CYS A 419 8.234 2.453 -1.708 1.00 0.00 C ATOM 460 C CYS A 419 6.879 2.585 -2.377 1.00 0.00 C ATOM 461 O CYS A 419 6.779 2.610 -3.604 1.00 0.00 O ATOM 462 CB CYS A 419 8.702 3.812 -1.179 1.00 0.00 C ATOM 463 SG CYS A 419 9.489 4.864 -2.422 1.00 0.00 S ATOM 0 H CYS A 419 9.249 2.379 -3.543 1.00 0.00 H new ATOM 0 HA CYS A 419 8.146 1.772 -0.861 1.00 0.00 H new ATOM 0 HB2 CYS A 419 7.845 4.341 -0.762 1.00 0.00 H new ATOM 0 HB3 CYS A 419 9.404 3.648 -0.361 1.00 0.00 H new ATOM 0 HG CYS A 419 9.846 5.988 -1.876 1.00 0.00 H new ATOM 469 N PHE A 420 5.833 2.632 -1.568 1.00 0.00 N ATOM 470 CA PHE A 420 4.482 2.716 -2.092 1.00 0.00 C ATOM 471 C PHE A 420 3.687 3.835 -1.445 1.00 0.00 C ATOM 472 O PHE A 420 4.007 4.296 -0.349 1.00 0.00 O ATOM 473 CB PHE A 420 3.779 1.380 -1.888 1.00 0.00 C ATOM 474 CG PHE A 420 4.587 0.221 -2.390 1.00 0.00 C ATOM 475 CD1 PHE A 420 5.651 -0.278 -1.652 1.00 0.00 C ATOM 476 CD2 PHE A 420 4.286 -0.364 -3.603 1.00 0.00 C ATOM 477 CE1 PHE A 420 6.397 -1.338 -2.121 1.00 0.00 C ATOM 478 CE2 PHE A 420 5.025 -1.422 -4.078 1.00 0.00 C ATOM 479 CZ PHE A 420 6.084 -1.914 -3.337 1.00 0.00 C ATOM 0 H PHE A 420 5.894 2.613 -0.550 1.00 0.00 H new ATOM 0 HA PHE A 420 4.545 2.944 -3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 420 3.571 1.241 -0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 420 2.818 1.397 -2.401 1.00 0.00 H new ATOM 0 HD1 PHE A 420 5.897 0.169 -0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 420 3.460 0.014 -4.187 1.00 0.00 H new ATOM 0 HE1 PHE A 420 7.224 -1.717 -1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 420 4.778 -1.869 -5.030 1.00 0.00 H new ATOM 0 HZ PHE A 420 6.664 -2.746 -3.708 1.00 0.00 H new ATOM 489 N ASN A 421 2.648 4.266 -2.143 1.00 0.00 N ATOM 490 CA ASN A 421 1.787 5.339 -1.658 1.00 0.00 C ATOM 491 C ASN A 421 0.322 5.043 -1.961 1.00 0.00 C ATOM 492 O ASN A 421 -0.041 4.760 -3.103 1.00 0.00 O ATOM 493 CB ASN A 421 2.196 6.671 -2.290 1.00 0.00 C ATOM 494 CG ASN A 421 2.387 7.766 -1.258 1.00 0.00 C ATOM 495 OD1 ASN A 421 3.322 8.562 -1.348 1.00 0.00 O ATOM 496 ND2 ASN A 421 1.500 7.811 -0.271 1.00 0.00 N ATOM 0 H ASN A 421 2.378 3.889 -3.051 1.00 0.00 H new ATOM 0 HA ASN A 421 1.905 5.407 -0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 421 3.122 6.536 -2.848 1.00 0.00 H new ATOM 0 HB3 ASN A 421 1.434 6.979 -3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 421 1.578 8.526 0.452 1.00 0.00 H new ATOM 0 HD22 ASN A 421 0.741 7.131 -0.236 1.00 0.00 H new ATOM 503 N CYS A 422 -0.514 5.113 -0.932 1.00 0.00 N ATOM 504 CA CYS A 422 -1.940 4.855 -1.087 1.00 0.00 C ATOM 505 C CYS A 422 -2.708 6.161 -1.287 1.00 0.00 C ATOM 506 O CYS A 422 -2.789 6.983 -0.376 1.00 0.00 O ATOM 507 CB CYS A 422 -2.484 4.117 0.139 1.00 0.00 C ATOM 508 SG CYS A 422 -4.224 3.643 0.005 1.00 0.00 S ATOM 0 H CYS A 422 -0.229 5.346 0.019 1.00 0.00 H new ATOM 0 HA CYS A 422 -2.077 4.230 -1.970 1.00 0.00 H new ATOM 0 HB2 CYS A 422 -1.886 3.221 0.305 1.00 0.00 H new ATOM 0 HB3 CYS A 422 -2.358 4.751 1.017 1.00 0.00 H new ATOM 513 N PRO A 423 -3.289 6.373 -2.483 1.00 0.00 N ATOM 514 CA PRO A 423 -4.053 7.588 -2.779 1.00 0.00 C ATOM 515 C PRO A 423 -5.439 7.578 -2.138 1.00 0.00 C ATOM 516 O PRO A 423 -6.206 8.528 -2.285 1.00 0.00 O ATOM 517 CB PRO A 423 -4.167 7.562 -4.302 1.00 0.00 C ATOM 518 CG PRO A 423 -4.139 6.116 -4.656 1.00 0.00 C ATOM 519 CD PRO A 423 -3.253 5.450 -3.634 1.00 0.00 C ATOM 0 HA PRO A 423 -3.570 8.482 -2.385 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -5.090 8.035 -4.639 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.343 8.101 -4.770 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -5.143 5.691 -4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -3.750 5.969 -5.663 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.625 4.461 -3.366 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -2.238 5.318 -4.009 1.00 0.00 H new ATOM 527 N ILE A 424 -5.751 6.499 -1.430 1.00 0.00 N ATOM 528 CA ILE A 424 -7.038 6.363 -0.768 1.00 0.00 C ATOM 529 C ILE A 424 -6.921 6.659 0.726 1.00 0.00 C ATOM 530 O ILE A 424 -7.885 7.087 1.361 1.00 0.00 O ATOM 531 CB ILE A 424 -7.610 4.944 -0.967 1.00 0.00 C ATOM 532 CG1 ILE A 424 -7.948 4.711 -2.441 1.00 0.00 C ATOM 533 CG2 ILE A 424 -8.838 4.728 -0.095 1.00 0.00 C ATOM 534 CD1 ILE A 424 -7.659 3.302 -2.912 1.00 0.00 C ATOM 0 H ILE A 424 -5.126 5.704 -1.301 1.00 0.00 H new ATOM 0 HA ILE A 424 -7.716 7.088 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 424 -6.851 4.222 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 424 -9.003 4.930 -2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 424 -7.380 5.413 -3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 424 -9.224 3.721 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 424 -8.566 4.853 0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 424 -9.605 5.456 -0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 424 -7.923 3.209 -3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 424 -6.599 3.086 -2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 424 -8.247 2.595 -2.327 1.00 0.00 H new ATOM 546 N CYS A 425 -5.738 6.419 1.283 1.00 0.00 N ATOM 547 CA CYS A 425 -5.501 6.651 2.705 1.00 0.00 C ATOM 548 C CYS A 425 -4.306 7.577 2.937 1.00 0.00 C ATOM 549 O CYS A 425 -4.058 8.008 4.064 1.00 0.00 O ATOM 550 CB CYS A 425 -5.280 5.316 3.416 1.00 0.00 C ATOM 551 SG CYS A 425 -6.624 4.136 3.172 1.00 0.00 S ATOM 0 H CYS A 425 -4.929 6.064 0.773 1.00 0.00 H new ATOM 0 HA CYS A 425 -6.382 7.143 3.117 1.00 0.00 H new ATOM 0 HB2 CYS A 425 -4.350 4.873 3.059 1.00 0.00 H new ATOM 0 HB3 CYS A 425 -5.157 5.498 4.484 1.00 0.00 H new ATOM 556 N ASP A 426 -3.571 7.886 1.871 1.00 0.00 N ATOM 557 CA ASP A 426 -2.409 8.763 1.971 1.00 0.00 C ATOM 558 C ASP A 426 -1.362 8.181 2.916 1.00 0.00 C ATOM 559 O ASP A 426 -0.771 8.899 3.722 1.00 0.00 O ATOM 560 CB ASP A 426 -2.834 10.152 2.453 1.00 0.00 C ATOM 561 CG ASP A 426 -3.262 11.054 1.313 1.00 0.00 C ATOM 562 OD1 ASP A 426 -2.573 11.062 0.272 1.00 0.00 O ATOM 563 OD2 ASP A 426 -4.288 11.752 1.462 1.00 0.00 O ATOM 0 H ASP A 426 -3.760 7.542 0.930 1.00 0.00 H new ATOM 0 HA ASP A 426 -1.965 8.849 0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -3.656 10.052 3.162 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -2.006 10.616 2.989 1.00 0.00 H new ATOM 568 N LYS A 427 -1.138 6.876 2.812 1.00 0.00 N ATOM 569 CA LYS A 427 -0.163 6.197 3.659 1.00 0.00 C ATOM 570 C LYS A 427 0.994 5.645 2.831 1.00 0.00 C ATOM 571 O LYS A 427 0.798 5.163 1.715 1.00 0.00 O ATOM 572 CB LYS A 427 -0.838 5.066 4.440 1.00 0.00 C ATOM 573 CG LYS A 427 -0.905 5.317 5.937 1.00 0.00 C ATOM 574 CD LYS A 427 -0.782 4.022 6.724 1.00 0.00 C ATOM 575 CE LYS A 427 -1.585 4.076 8.013 1.00 0.00 C ATOM 576 NZ LYS A 427 -3.037 4.285 7.756 1.00 0.00 N ATOM 0 H LYS A 427 -1.618 6.267 2.150 1.00 0.00 H new ATOM 0 HA LYS A 427 0.240 6.926 4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 427 -1.849 4.925 4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 427 -0.297 4.137 4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 427 -0.106 5.999 6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 427 -1.848 5.806 6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 427 -1.129 3.189 6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 427 0.266 3.833 6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 427 -1.445 3.148 8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 427 -1.208 4.883 8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 -3.592 3.819 8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 -3.246 5.304 7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 -3.288 3.879 6.832 1.00 0.00 H new ATOM 590 N ILE A 428 2.198 5.708 3.391 1.00 0.00 N ATOM 591 CA ILE A 428 3.386 5.206 2.713 1.00 0.00 C ATOM 592 C ILE A 428 3.729 3.803 3.202 1.00 0.00 C ATOM 593 O ILE A 428 3.460 3.457 4.352 1.00 0.00 O ATOM 594 CB ILE A 428 4.599 6.130 2.938 1.00 0.00 C ATOM 595 CG1 ILE A 428 4.230 7.580 2.618 1.00 0.00 C ATOM 596 CG2 ILE A 428 5.778 5.676 2.091 1.00 0.00 C ATOM 597 CD1 ILE A 428 3.881 8.399 3.840 1.00 0.00 C ATOM 0 H ILE A 428 2.376 6.103 4.315 1.00 0.00 H new ATOM 0 HA ILE A 428 3.161 5.179 1.647 1.00 0.00 H new ATOM 0 HB ILE A 428 4.890 6.073 3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 428 5.065 8.053 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 428 3.383 7.588 1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 428 6.626 6.339 2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 428 6.053 4.658 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 428 5.501 5.705 1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 428 3.630 9.416 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 428 3.027 7.950 4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 428 4.734 8.422 4.518 1.00 0.00 H new ATOM 609 N PHE A 429 4.313 2.992 2.324 1.00 0.00 N ATOM 610 CA PHE A 429 4.672 1.626 2.683 1.00 0.00 C ATOM 611 C PHE A 429 6.078 1.262 2.195 1.00 0.00 C ATOM 612 O PHE A 429 6.374 1.369 1.006 1.00 0.00 O ATOM 613 CB PHE A 429 3.650 0.649 2.100 1.00 0.00 C ATOM 614 CG PHE A 429 2.283 0.769 2.710 1.00 0.00 C ATOM 615 CD1 PHE A 429 2.062 0.397 4.026 1.00 0.00 C ATOM 616 CD2 PHE A 429 1.216 1.254 1.967 1.00 0.00 C ATOM 617 CE1 PHE A 429 0.805 0.505 4.591 1.00 0.00 C ATOM 618 CE2 PHE A 429 -0.042 1.365 2.527 1.00 0.00 C ATOM 619 CZ PHE A 429 -0.248 0.990 3.840 1.00 0.00 C ATOM 0 H PHE A 429 4.546 3.255 1.366 1.00 0.00 H new ATOM 0 HA PHE A 429 4.668 1.556 3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 429 3.574 0.815 1.025 1.00 0.00 H new ATOM 0 HB3 PHE A 429 4.013 -0.369 2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 429 2.882 0.018 4.618 1.00 0.00 H new ATOM 0 HD2 PHE A 429 1.371 1.548 0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 429 0.647 0.211 5.618 1.00 0.00 H new ATOM 0 HE2 PHE A 429 -0.864 1.745 1.938 1.00 0.00 H new ATOM 0 HZ PHE A 429 -1.231 1.076 4.279 1.00 0.00 H new ATOM 629 N PRO A 430 6.962 0.814 3.108 1.00 0.00 N ATOM 630 CA PRO A 430 8.336 0.417 2.765 1.00 0.00 C ATOM 631 C PRO A 430 8.363 -0.735 1.762 1.00 0.00 C ATOM 632 O PRO A 430 7.383 -1.466 1.623 1.00 0.00 O ATOM 633 CB PRO A 430 8.940 -0.026 4.102 1.00 0.00 C ATOM 634 CG PRO A 430 8.069 0.584 5.145 1.00 0.00 C ATOM 635 CD PRO A 430 6.693 0.648 4.548 1.00 0.00 C ATOM 0 HA PRO A 430 8.886 1.231 2.292 1.00 0.00 H new ATOM 0 HB2 PRO A 430 8.954 -1.113 4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 430 9.971 0.315 4.201 1.00 0.00 H new ATOM 0 HG2 PRO A 430 8.072 -0.015 6.055 1.00 0.00 H new ATOM 0 HG3 PRO A 430 8.423 1.578 5.417 1.00 0.00 H new ATOM 0 HD2 PRO A 430 6.123 -0.259 4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 430 6.117 1.482 4.950 1.00 0.00 H new ATOM 643 N ALA A 431 9.480 -0.885 1.055 1.00 0.00 N ATOM 644 CA ALA A 431 9.615 -1.945 0.057 1.00 0.00 C ATOM 645 C ALA A 431 9.290 -3.314 0.644 1.00 0.00 C ATOM 646 O ALA A 431 8.748 -4.179 -0.044 1.00 0.00 O ATOM 647 CB ALA A 431 11.023 -1.949 -0.523 1.00 0.00 C ATOM 0 H ALA A 431 10.302 -0.289 1.153 1.00 0.00 H new ATOM 0 HA ALA A 431 8.898 -1.742 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 431 11.109 -2.743 -1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 431 11.224 -0.988 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 431 11.745 -2.119 0.276 1.00 0.00 H new ATOM 653 N THR A 432 9.608 -3.503 1.919 1.00 0.00 N ATOM 654 CA THR A 432 9.329 -4.765 2.590 1.00 0.00 C ATOM 655 C THR A 432 7.848 -4.865 2.945 1.00 0.00 C ATOM 656 O THR A 432 7.378 -5.905 3.405 1.00 0.00 O ATOM 657 CB THR A 432 10.181 -4.898 3.853 1.00 0.00 C ATOM 658 OG1 THR A 432 11.387 -4.167 3.722 1.00 0.00 O ATOM 659 CG2 THR A 432 10.547 -6.330 4.180 1.00 0.00 C ATOM 0 H THR A 432 10.058 -2.801 2.507 1.00 0.00 H new ATOM 0 HA THR A 432 9.581 -5.578 1.909 1.00 0.00 H new ATOM 0 HB THR A 432 9.564 -4.504 4.661 1.00 0.00 H new ATOM 0 HG1 THR A 432 11.918 -4.263 4.540 1.00 0.00 H new ATOM 0 HG21 THR A 432 11.151 -6.353 5.087 1.00 0.00 H new ATOM 0 HG22 THR A 432 9.638 -6.912 4.335 1.00 0.00 H new ATOM 0 HG23 THR A 432 11.115 -6.758 3.354 1.00 0.00 H new ATOM 667 N GLU A 433 7.119 -3.774 2.723 1.00 0.00 N ATOM 668 CA GLU A 433 5.695 -3.735 3.012 1.00 0.00 C ATOM 669 C GLU A 433 4.873 -3.789 1.728 1.00 0.00 C ATOM 670 O GLU A 433 3.690 -3.449 1.727 1.00 0.00 O ATOM 671 CB GLU A 433 5.354 -2.473 3.804 1.00 0.00 C ATOM 672 CG GLU A 433 4.153 -2.635 4.721 1.00 0.00 C ATOM 673 CD GLU A 433 4.233 -1.751 5.949 1.00 0.00 C ATOM 674 OE1 GLU A 433 5.358 -1.518 6.441 1.00 0.00 O ATOM 675 OE2 GLU A 433 3.172 -1.289 6.418 1.00 0.00 O ATOM 0 H GLU A 433 7.495 -2.905 2.343 1.00 0.00 H new ATOM 0 HA GLU A 433 5.445 -4.611 3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 433 6.219 -2.184 4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 433 5.161 -1.658 3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 433 3.244 -2.400 4.168 1.00 0.00 H new ATOM 0 HG3 GLU A 433 4.076 -3.677 5.032 1.00 0.00 H new ATOM 682 N LYS A 434 5.499 -4.229 0.639 1.00 0.00 N ATOM 683 CA LYS A 434 4.813 -4.335 -0.642 1.00 0.00 C ATOM 684 C LYS A 434 3.642 -5.305 -0.531 1.00 0.00 C ATOM 685 O LYS A 434 2.560 -5.054 -1.061 1.00 0.00 O ATOM 686 CB LYS A 434 5.781 -4.803 -1.730 1.00 0.00 C ATOM 687 CG LYS A 434 5.132 -4.960 -3.096 1.00 0.00 C ATOM 688 CD LYS A 434 6.134 -5.430 -4.138 1.00 0.00 C ATOM 689 CE LYS A 434 5.442 -6.107 -5.311 1.00 0.00 C ATOM 690 NZ LYS A 434 6.178 -5.896 -6.587 1.00 0.00 N ATOM 0 H LYS A 434 6.477 -4.517 0.620 1.00 0.00 H new ATOM 0 HA LYS A 434 4.433 -3.350 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 434 6.601 -4.089 -1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 434 6.216 -5.757 -1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 434 4.312 -5.675 -3.030 1.00 0.00 H new ATOM 0 HG3 LYS A 434 4.701 -4.008 -3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 434 6.713 -4.579 -4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 434 6.838 -6.124 -3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 434 5.356 -7.176 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 434 4.428 -5.718 -5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 5.674 -6.373 -7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 6.238 -4.878 -6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 7.137 -6.290 -6.504 1.00 0.00 H new ATOM 704 N GLN A 435 3.869 -6.408 0.175 1.00 0.00 N ATOM 705 CA GLN A 435 2.832 -7.413 0.372 1.00 0.00 C ATOM 706 C GLN A 435 1.680 -6.824 1.177 1.00 0.00 C ATOM 707 O GLN A 435 0.512 -6.929 0.789 1.00 0.00 O ATOM 708 CB GLN A 435 3.406 -8.638 1.095 1.00 0.00 C ATOM 709 CG GLN A 435 4.824 -9.000 0.670 1.00 0.00 C ATOM 710 CD GLN A 435 4.981 -9.076 -0.837 1.00 0.00 C ATOM 711 OE1 GLN A 435 5.811 -8.381 -1.421 1.00 0.00 O ATOM 712 NE2 GLN A 435 4.182 -9.925 -1.473 1.00 0.00 N ATOM 0 H GLN A 435 4.760 -6.628 0.619 1.00 0.00 H new ATOM 0 HA GLN A 435 2.460 -7.726 -0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 435 3.396 -8.451 2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 435 2.754 -9.493 0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 435 5.518 -8.259 1.067 1.00 0.00 H new ATOM 0 HG3 GLN A 435 5.097 -9.960 1.109 1.00 0.00 H new ATOM 0 HE21 GLN A 435 3.508 -10.482 -0.948 1.00 0.00 H new ATOM 0 HE22 GLN A 435 4.242 -10.020 -2.487 1.00 0.00 H new ATOM 721 N ILE A 436 2.021 -6.184 2.292 1.00 0.00 N ATOM 722 CA ILE A 436 1.022 -5.558 3.144 1.00 0.00 C ATOM 723 C ILE A 436 0.359 -4.404 2.406 1.00 0.00 C ATOM 724 O ILE A 436 -0.831 -4.142 2.580 1.00 0.00 O ATOM 725 CB ILE A 436 1.641 -5.041 4.460 1.00 0.00 C ATOM 726 CG1 ILE A 436 2.295 -6.192 5.229 1.00 0.00 C ATOM 727 CG2 ILE A 436 0.582 -4.361 5.318 1.00 0.00 C ATOM 728 CD1 ILE A 436 3.805 -6.200 5.138 1.00 0.00 C ATOM 0 H ILE A 436 2.981 -6.087 2.624 1.00 0.00 H new ATOM 0 HA ILE A 436 0.278 -6.314 3.393 1.00 0.00 H new ATOM 0 HB ILE A 436 2.408 -4.307 4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 436 2.003 -6.130 6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 436 1.911 -7.138 4.847 1.00 0.00 H new ATOM 0 HG21 ILE A 436 1.037 -4.003 6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 436 0.158 -3.518 4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 436 -0.207 -5.074 5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 436 4.199 -7.042 5.706 1.00 0.00 H new ATOM 0 HD12 ILE A 436 4.106 -6.293 4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 436 4.199 -5.270 5.547 1.00 0.00 H new ATOM 740 N PHE A 437 1.136 -3.725 1.566 1.00 0.00 N ATOM 741 CA PHE A 437 0.616 -2.611 0.788 1.00 0.00 C ATOM 742 C PHE A 437 -0.454 -3.106 -0.174 1.00 0.00 C ATOM 743 O PHE A 437 -1.534 -2.527 -0.265 1.00 0.00 O ATOM 744 CB PHE A 437 1.742 -1.921 0.012 1.00 0.00 C ATOM 745 CG PHE A 437 1.249 -1.008 -1.077 1.00 0.00 C ATOM 746 CD1 PHE A 437 0.344 0.001 -0.793 1.00 0.00 C ATOM 747 CD2 PHE A 437 1.685 -1.165 -2.381 1.00 0.00 C ATOM 748 CE1 PHE A 437 -0.115 0.839 -1.790 1.00 0.00 C ATOM 749 CE2 PHE A 437 1.228 -0.332 -3.384 1.00 0.00 C ATOM 750 CZ PHE A 437 0.327 0.673 -3.088 1.00 0.00 C ATOM 0 H PHE A 437 2.123 -3.928 1.409 1.00 0.00 H new ATOM 0 HA PHE A 437 0.175 -1.886 1.472 1.00 0.00 H new ATOM 0 HB2 PHE A 437 2.353 -1.346 0.708 1.00 0.00 H new ATOM 0 HB3 PHE A 437 2.388 -2.681 -0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 437 -0.007 0.134 0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 437 2.391 -1.948 -2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 437 -0.819 1.624 -1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 437 1.574 -0.466 -4.398 1.00 0.00 H new ATOM 0 HZ PHE A 437 -0.031 1.327 -3.870 1.00 0.00 H new ATOM 760 N GLU A 438 -0.152 -4.193 -0.881 1.00 0.00 N ATOM 761 CA GLU A 438 -1.099 -4.769 -1.827 1.00 0.00 C ATOM 762 C GLU A 438 -2.389 -5.136 -1.108 1.00 0.00 C ATOM 763 O GLU A 438 -3.485 -4.863 -1.599 1.00 0.00 O ATOM 764 CB GLU A 438 -0.500 -6.005 -2.500 1.00 0.00 C ATOM 765 CG GLU A 438 0.315 -5.686 -3.743 1.00 0.00 C ATOM 766 CD GLU A 438 1.512 -6.601 -3.906 1.00 0.00 C ATOM 767 OE1 GLU A 438 2.154 -6.928 -2.885 1.00 0.00 O ATOM 768 OE2 GLU A 438 1.808 -6.992 -5.055 1.00 0.00 O ATOM 0 H GLU A 438 0.737 -4.689 -0.816 1.00 0.00 H new ATOM 0 HA GLU A 438 -1.318 -4.030 -2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 438 0.135 -6.527 -1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 438 -1.306 -6.688 -2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 438 -0.323 -5.769 -4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 438 0.657 -4.652 -3.693 1.00 0.00 H new ATOM 775 N ASP A 439 -2.252 -5.734 0.070 1.00 0.00 N ATOM 776 CA ASP A 439 -3.412 -6.108 0.866 1.00 0.00 C ATOM 777 C ASP A 439 -4.135 -4.853 1.348 1.00 0.00 C ATOM 778 O ASP A 439 -5.365 -4.814 1.414 1.00 0.00 O ATOM 779 CB ASP A 439 -2.987 -6.963 2.062 1.00 0.00 C ATOM 780 CG ASP A 439 -3.994 -8.049 2.384 1.00 0.00 C ATOM 781 OD1 ASP A 439 -4.508 -8.682 1.437 1.00 0.00 O ATOM 782 OD2 ASP A 439 -4.270 -8.267 3.582 1.00 0.00 O ATOM 0 H ASP A 439 -1.354 -5.969 0.492 1.00 0.00 H new ATOM 0 HA ASP A 439 -4.089 -6.695 0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.019 -7.419 1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -2.856 -6.323 2.934 1.00 0.00 H new ATOM 787 N HIS A 440 -3.353 -3.827 1.675 1.00 0.00 N ATOM 788 CA HIS A 440 -3.898 -2.559 2.145 1.00 0.00 C ATOM 789 C HIS A 440 -4.733 -1.892 1.056 1.00 0.00 C ATOM 790 O HIS A 440 -5.850 -1.439 1.308 1.00 0.00 O ATOM 791 CB HIS A 440 -2.762 -1.629 2.578 1.00 0.00 C ATOM 792 CG HIS A 440 -3.222 -0.274 3.023 1.00 0.00 C ATOM 793 ND1 HIS A 440 -3.802 -0.021 4.246 1.00 0.00 N ATOM 794 CD2 HIS A 440 -3.168 0.923 2.381 1.00 0.00 C ATOM 795 CE1 HIS A 440 -4.075 1.289 4.309 1.00 0.00 C ATOM 796 NE2 HIS A 440 -3.707 1.906 3.204 1.00 0.00 N ATOM 0 H HIS A 440 -2.335 -3.851 1.622 1.00 0.00 H new ATOM 0 HA HIS A 440 -4.544 -2.758 3.000 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.210 -2.100 3.392 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -2.066 -1.511 1.748 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -3.990 -0.709 4.975 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.770 1.085 1.390 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -4.537 1.776 5.155 1.00 0.00 H new ATOM 804 N VAL A 441 -4.189 -1.840 -0.156 1.00 0.00 N ATOM 805 CA VAL A 441 -4.897 -1.232 -1.280 1.00 0.00 C ATOM 806 C VAL A 441 -6.127 -2.057 -1.637 1.00 0.00 C ATOM 807 O VAL A 441 -7.147 -1.518 -2.066 1.00 0.00 O ATOM 808 CB VAL A 441 -4.007 -1.089 -2.537 1.00 0.00 C ATOM 809 CG1 VAL A 441 -4.465 0.095 -3.374 1.00 0.00 C ATOM 810 CG2 VAL A 441 -2.539 -0.934 -2.168 1.00 0.00 C ATOM 0 H VAL A 441 -3.266 -2.209 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 441 -5.189 -0.232 -0.959 1.00 0.00 H new ATOM 0 HB VAL A 441 -4.109 -2.003 -3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -3.830 0.185 -4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -5.499 -0.057 -3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -4.395 1.008 -2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.944 -0.836 -3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.411 -0.044 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.209 -1.811 -1.611 1.00 0.00 H new ATOM 820 N PHE A 442 -6.021 -3.370 -1.453 1.00 0.00 N ATOM 821 CA PHE A 442 -7.123 -4.276 -1.748 1.00 0.00 C ATOM 822 C PHE A 442 -8.308 -3.995 -0.831 1.00 0.00 C ATOM 823 O PHE A 442 -9.458 -3.986 -1.270 1.00 0.00 O ATOM 824 CB PHE A 442 -6.673 -5.730 -1.593 1.00 0.00 C ATOM 825 CG PHE A 442 -6.327 -6.392 -2.895 1.00 0.00 C ATOM 826 CD1 PHE A 442 -5.337 -5.869 -3.712 1.00 0.00 C ATOM 827 CD2 PHE A 442 -6.991 -7.538 -3.303 1.00 0.00 C ATOM 828 CE1 PHE A 442 -5.016 -6.476 -4.911 1.00 0.00 C ATOM 829 CE2 PHE A 442 -6.675 -8.150 -4.502 1.00 0.00 C ATOM 830 CZ PHE A 442 -5.686 -7.618 -5.306 1.00 0.00 C ATOM 0 H PHE A 442 -5.181 -3.829 -1.100 1.00 0.00 H new ATOM 0 HA PHE A 442 -7.434 -4.112 -2.780 1.00 0.00 H new ATOM 0 HB2 PHE A 442 -5.805 -5.765 -0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 442 -7.466 -6.297 -1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 442 -4.810 -4.977 -3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 442 -7.764 -7.958 -2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 442 -4.243 -6.058 -5.539 1.00 0.00 H new ATOM 0 HE2 PHE A 442 -7.200 -9.042 -4.809 1.00 0.00 H new ATOM 0 HZ PHE A 442 -5.437 -8.094 -6.243 1.00 0.00 H new ATOM 840 N CYS A 443 -8.020 -3.758 0.447 1.00 0.00 N ATOM 841 CA CYS A 443 -9.064 -3.470 1.425 1.00 0.00 C ATOM 842 C CYS A 443 -9.925 -2.298 0.966 1.00 0.00 C ATOM 843 O CYS A 443 -11.109 -2.217 1.289 1.00 0.00 O ATOM 844 CB CYS A 443 -8.441 -3.152 2.788 1.00 0.00 C ATOM 845 SG CYS A 443 -9.557 -3.408 4.186 1.00 0.00 S ATOM 0 H CYS A 443 -7.074 -3.760 0.828 1.00 0.00 H new ATOM 0 HA CYS A 443 -9.696 -4.353 1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -7.556 -3.773 2.925 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -8.106 -2.115 2.789 1.00 0.00 H new ATOM 0 HG CYS A 443 -8.941 -3.115 5.293 1.00 0.00 H new ATOM 851 N HIS A 444 -9.314 -1.393 0.209 1.00 0.00 N ATOM 852 CA HIS A 444 -10.011 -0.222 -0.303 1.00 0.00 C ATOM 853 C HIS A 444 -10.860 -0.578 -1.519 1.00 0.00 C ATOM 854 O HIS A 444 -11.855 0.087 -1.811 1.00 0.00 O ATOM 855 CB HIS A 444 -9.000 0.868 -0.660 1.00 0.00 C ATOM 856 CG HIS A 444 -7.947 1.056 0.386 1.00 0.00 C ATOM 857 ND1 HIS A 444 -8.184 0.936 1.738 1.00 0.00 N ATOM 858 CD2 HIS A 444 -6.628 1.347 0.262 1.00 0.00 C ATOM 859 CE1 HIS A 444 -7.027 1.153 2.377 1.00 0.00 C ATOM 860 NE2 HIS A 444 -6.053 1.406 1.526 1.00 0.00 N ATOM 0 H HIS A 444 -8.333 -1.450 -0.064 1.00 0.00 H new ATOM 0 HA HIS A 444 -10.679 0.150 0.474 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -8.522 0.616 -1.607 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -9.528 1.810 -0.810 1.00 0.00 H new ATOM 0 HD1 HIS A 444 -9.080 0.720 2.174 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.107 1.507 -0.671 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -6.908 1.124 3.450 1.00 0.00 H new ATOM 868 N SER A 445 -10.463 -1.632 -2.227 1.00 0.00 N ATOM 869 CA SER A 445 -11.191 -2.077 -3.409 1.00 0.00 C ATOM 870 C SER A 445 -12.228 -3.141 -3.052 1.00 0.00 C ATOM 871 O SER A 445 -13.122 -3.436 -3.844 1.00 0.00 O ATOM 872 CB SER A 445 -10.219 -2.628 -4.454 1.00 0.00 C ATOM 873 OG SER A 445 -9.456 -1.588 -5.040 1.00 0.00 O ATOM 0 H SER A 445 -9.641 -2.193 -2.002 1.00 0.00 H new ATOM 0 HA SER A 445 -11.714 -1.215 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 445 -9.553 -3.354 -3.988 1.00 0.00 H new ATOM 0 HB3 SER A 445 -10.774 -3.157 -5.229 1.00 0.00 H new ATOM 0 HG SER A 445 -8.842 -1.967 -5.703 1.00 0.00 H new ATOM 879 N LEU A 446 -12.106 -3.711 -1.856 1.00 0.00 N ATOM 880 CA LEU A 446 -13.037 -4.738 -1.401 1.00 0.00 C ATOM 881 C LEU A 446 -13.185 -4.704 0.116 1.00 0.00 C ATOM 882 O LEU A 446 -12.319 -5.281 0.809 1.00 0.00 O ATOM 883 CB LEU A 446 -12.563 -6.123 -1.846 1.00 0.00 C ATOM 884 CG LEU A 446 -11.067 -6.387 -1.668 1.00 0.00 C ATOM 885 CD1 LEU A 446 -10.821 -7.848 -1.323 1.00 0.00 C ATOM 886 CD2 LEU A 446 -10.304 -5.999 -2.925 1.00 0.00 C ATOM 887 OXT LEU A 446 -14.165 -4.100 0.602 1.00 0.00 O ATOM 0 H LEU A 446 -11.373 -3.479 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 446 -14.009 -4.533 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 446 -13.118 -6.876 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 446 -12.817 -6.256 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 446 -10.705 -5.773 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 446 -9.751 -8.018 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 446 -11.337 -8.094 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 446 -11.199 -8.480 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 446 -9.241 -6.194 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 446 -10.669 -6.586 -3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 446 -10.454 -4.939 -3.129 1.00 0.00 H new TER 899 LEU A 446 HETATM 900 ZN ZN A 447 -4.980 3.030 2.140 1.00 0.00 ZN