USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=12 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 USER MOD Single : A 408 HIS : no HE2:sc= -0.52 K(o=-0.52,f=-1.3) USER MOD Single : A 409 THR OG1 : rot 180:sc= 0 USER MOD Single : A 412 GLN : amide:sc= 0 X(o=0,f=0.0049) USER MOD Single : A 413 GLN : amide:sc= -0.115 K(o=-0.12,f=-2.7!) USER MOD Single : A 414 GLN : amide:sc= -0.094 X(o=-0.094,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=-0.012) USER MOD Single : A 419 CYS SG : rot -60:sc= -2.62 USER MOD Single : A 421 ASN : amide:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 THR OG1 : rot -21:sc= 0.46! USER MOD Single : A 434 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00912) USER MOD Single : A 435 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 445 SER OG : rot 21:sc= 0.142 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 390 23.165 21.840 -30.027 1.00 0.00 N ATOM 2 CA SER A 390 22.471 22.740 -29.070 1.00 0.00 C ATOM 3 C SER A 390 21.054 22.250 -28.778 1.00 0.00 C ATOM 4 O SER A 390 20.103 22.641 -29.455 1.00 0.00 O ATOM 5 CB SER A 390 22.429 24.148 -29.667 1.00 0.00 C ATOM 6 OG SER A 390 22.231 25.125 -28.659 1.00 0.00 O ATOM 0 HA SER A 390 23.017 22.747 -28.127 1.00 0.00 H new ATOM 0 HB2 SER A 390 23.361 24.350 -30.195 1.00 0.00 H new ATOM 0 HB3 SER A 390 21.626 24.211 -30.401 1.00 0.00 H new ATOM 0 HG SER A 390 22.210 26.016 -29.067 1.00 0.00 H new ATOM 14 N PRO A 391 20.896 21.383 -27.763 1.00 0.00 N ATOM 15 CA PRO A 391 19.587 20.841 -27.386 1.00 0.00 C ATOM 16 C PRO A 391 18.682 21.896 -26.758 1.00 0.00 C ATOM 17 O PRO A 391 18.904 22.323 -25.626 1.00 0.00 O ATOM 18 CB PRO A 391 19.932 19.755 -26.364 1.00 0.00 C ATOM 19 CG PRO A 391 21.241 20.178 -25.790 1.00 0.00 C ATOM 20 CD PRO A 391 21.978 20.866 -26.905 1.00 0.00 C ATOM 0 HA PRO A 391 19.035 20.471 -28.250 1.00 0.00 H new ATOM 0 HB2 PRO A 391 19.166 19.680 -25.592 1.00 0.00 H new ATOM 0 HB3 PRO A 391 20.005 18.775 -26.836 1.00 0.00 H new ATOM 0 HG2 PRO A 391 21.097 20.850 -24.944 1.00 0.00 H new ATOM 0 HG3 PRO A 391 21.802 19.319 -25.423 1.00 0.00 H new ATOM 0 HD2 PRO A 391 22.613 21.669 -26.531 1.00 0.00 H new ATOM 0 HD3 PRO A 391 22.624 20.175 -27.446 1.00 0.00 H new ATOM 28 N LEU A 392 17.662 22.311 -27.502 1.00 0.00 N ATOM 29 CA LEU A 392 16.723 23.315 -27.017 1.00 0.00 C ATOM 30 C LEU A 392 15.299 22.985 -27.456 1.00 0.00 C ATOM 31 O LEU A 392 15.075 22.032 -28.203 1.00 0.00 O ATOM 32 CB LEU A 392 17.120 24.704 -27.526 1.00 0.00 C ATOM 33 CG LEU A 392 17.066 25.817 -26.475 1.00 0.00 C ATOM 34 CD1 LEU A 392 18.455 26.384 -26.223 1.00 0.00 C ATOM 35 CD2 LEU A 392 16.111 26.919 -26.911 1.00 0.00 C ATOM 0 H LEU A 392 17.465 21.968 -28.442 1.00 0.00 H new ATOM 0 HA LEU A 392 16.757 23.313 -25.928 1.00 0.00 H new ATOM 0 HB2 LEU A 392 18.132 24.652 -27.927 1.00 0.00 H new ATOM 0 HB3 LEU A 392 16.463 24.973 -28.353 1.00 0.00 H new ATOM 0 HG LEU A 392 16.696 25.390 -25.543 1.00 0.00 H new ATOM 0 HD11 LEU A 392 18.395 27.173 -25.474 1.00 0.00 H new ATOM 0 HD12 LEU A 392 19.112 25.592 -25.864 1.00 0.00 H new ATOM 0 HD13 LEU A 392 18.854 26.794 -27.151 1.00 0.00 H new ATOM 0 HD21 LEU A 392 16.086 27.700 -26.152 1.00 0.00 H new ATOM 0 HD22 LEU A 392 16.451 27.342 -27.856 1.00 0.00 H new ATOM 0 HD23 LEU A 392 15.111 26.505 -27.038 1.00 0.00 H new ATOM 47 N SER A 393 14.342 23.778 -26.986 1.00 0.00 N ATOM 48 CA SER A 393 12.941 23.569 -27.331 1.00 0.00 C ATOM 49 C SER A 393 12.467 22.193 -26.872 1.00 0.00 C ATOM 50 O SER A 393 13.244 21.409 -26.327 1.00 0.00 O ATOM 51 CB SER A 393 12.738 23.718 -28.841 1.00 0.00 C ATOM 52 OG SER A 393 11.955 24.860 -29.140 1.00 0.00 O ATOM 0 H SER A 393 14.511 24.570 -26.366 1.00 0.00 H new ATOM 0 HA SER A 393 12.348 24.326 -26.817 1.00 0.00 H new ATOM 0 HB2 SER A 393 13.706 23.798 -29.335 1.00 0.00 H new ATOM 0 HB3 SER A 393 12.251 22.826 -29.235 1.00 0.00 H new ATOM 0 HG SER A 393 11.841 24.934 -30.111 1.00 0.00 H new ATOM 58 N ILE A 394 11.190 21.907 -27.096 1.00 0.00 N ATOM 59 CA ILE A 394 10.613 20.627 -26.707 1.00 0.00 C ATOM 60 C ILE A 394 10.279 19.780 -27.930 1.00 0.00 C ATOM 61 O ILE A 394 9.444 20.158 -28.749 1.00 0.00 O ATOM 62 CB ILE A 394 9.336 20.818 -25.866 1.00 0.00 C ATOM 63 CG1 ILE A 394 8.365 21.765 -26.578 1.00 0.00 C ATOM 64 CG2 ILE A 394 9.685 21.346 -24.483 1.00 0.00 C ATOM 65 CD1 ILE A 394 6.947 21.243 -26.639 1.00 0.00 C ATOM 0 H ILE A 394 10.534 22.546 -27.546 1.00 0.00 H new ATOM 0 HA ILE A 394 11.362 20.113 -26.105 1.00 0.00 H new ATOM 0 HB ILE A 394 8.848 19.850 -25.750 1.00 0.00 H new ATOM 0 HG12 ILE A 394 8.368 22.727 -26.066 1.00 0.00 H new ATOM 0 HG13 ILE A 394 8.722 21.943 -27.592 1.00 0.00 H new ATOM 0 HG21 ILE A 394 8.772 21.475 -23.902 1.00 0.00 H new ATOM 0 HG22 ILE A 394 10.340 20.636 -23.977 1.00 0.00 H new ATOM 0 HG23 ILE A 394 10.194 22.305 -24.578 1.00 0.00 H new ATOM 0 HD11 ILE A 394 6.315 21.965 -27.157 1.00 0.00 H new ATOM 0 HD12 ILE A 394 6.931 20.295 -27.177 1.00 0.00 H new ATOM 0 HD13 ILE A 394 6.571 21.092 -25.627 1.00 0.00 H new ATOM 77 N LYS A 395 10.939 18.632 -28.046 1.00 0.00 N ATOM 78 CA LYS A 395 10.711 17.731 -29.171 1.00 0.00 C ATOM 79 C LYS A 395 10.537 16.288 -28.700 1.00 0.00 C ATOM 80 O LYS A 395 10.557 15.358 -29.507 1.00 0.00 O ATOM 81 CB LYS A 395 11.874 17.817 -30.161 1.00 0.00 C ATOM 82 CG LYS A 395 11.485 17.463 -31.587 1.00 0.00 C ATOM 83 CD LYS A 395 12.708 17.317 -32.478 1.00 0.00 C ATOM 84 CE LYS A 395 12.466 16.313 -33.593 1.00 0.00 C ATOM 85 NZ LYS A 395 13.452 16.465 -34.699 1.00 0.00 N ATOM 0 H LYS A 395 11.635 18.304 -27.376 1.00 0.00 H new ATOM 0 HA LYS A 395 9.791 18.041 -29.666 1.00 0.00 H new ATOM 0 HB2 LYS A 395 12.281 18.828 -30.144 1.00 0.00 H new ATOM 0 HB3 LYS A 395 12.670 17.148 -29.833 1.00 0.00 H new ATOM 0 HG2 LYS A 395 10.918 16.532 -31.590 1.00 0.00 H new ATOM 0 HG3 LYS A 395 10.831 18.236 -31.989 1.00 0.00 H new ATOM 0 HD2 LYS A 395 12.964 18.285 -32.908 1.00 0.00 H new ATOM 0 HD3 LYS A 395 13.561 16.998 -31.878 1.00 0.00 H new ATOM 0 HE2 LYS A 395 12.525 15.302 -33.190 1.00 0.00 H new ATOM 0 HE3 LYS A 395 11.457 16.442 -33.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 13.254 15.763 -35.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 13.379 17.422 -35.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 14.413 16.317 -34.330 1.00 0.00 H new ATOM 99 N LYS A 396 10.363 16.104 -27.393 1.00 0.00 N ATOM 100 CA LYS A 396 10.183 14.773 -26.826 1.00 0.00 C ATOM 101 C LYS A 396 8.822 14.649 -26.152 1.00 0.00 C ATOM 102 O LYS A 396 8.505 15.398 -25.228 1.00 0.00 O ATOM 103 CB LYS A 396 11.295 14.470 -25.820 1.00 0.00 C ATOM 104 CG LYS A 396 12.693 14.577 -26.407 1.00 0.00 C ATOM 105 CD LYS A 396 13.406 15.838 -25.940 1.00 0.00 C ATOM 106 CE LYS A 396 14.568 15.512 -25.016 1.00 0.00 C ATOM 107 NZ LYS A 396 15.875 15.559 -25.729 1.00 0.00 N ATOM 0 H LYS A 396 10.343 16.860 -26.709 1.00 0.00 H new ATOM 0 HA LYS A 396 10.232 14.049 -27.639 1.00 0.00 H new ATOM 0 HB2 LYS A 396 11.210 15.158 -24.979 1.00 0.00 H new ATOM 0 HB3 LYS A 396 11.152 13.464 -25.425 1.00 0.00 H new ATOM 0 HG2 LYS A 396 13.276 13.702 -26.120 1.00 0.00 H new ATOM 0 HG3 LYS A 396 12.632 14.576 -27.495 1.00 0.00 H new ATOM 0 HD2 LYS A 396 13.772 16.392 -26.805 1.00 0.00 H new ATOM 0 HD3 LYS A 396 12.699 16.486 -25.422 1.00 0.00 H new ATOM 0 HE2 LYS A 396 14.581 16.219 -24.186 1.00 0.00 H new ATOM 0 HE3 LYS A 396 14.424 14.520 -24.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 16.642 15.331 -25.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 15.872 14.867 -26.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 16.025 16.512 -26.116 1.00 0.00 H new ATOM 121 N CYS A 397 8.019 13.699 -26.621 1.00 0.00 N ATOM 122 CA CYS A 397 6.690 13.479 -26.062 1.00 0.00 C ATOM 123 C CYS A 397 6.770 12.695 -24.758 1.00 0.00 C ATOM 124 O CYS A 397 7.589 11.787 -24.619 1.00 0.00 O ATOM 125 CB CYS A 397 5.807 12.736 -27.067 1.00 0.00 C ATOM 126 SG CYS A 397 4.799 13.819 -28.106 1.00 0.00 S ATOM 0 H CYS A 397 8.265 13.070 -27.386 1.00 0.00 H new ATOM 0 HA CYS A 397 6.247 14.452 -25.851 1.00 0.00 H new ATOM 0 HB2 CYS A 397 6.441 12.123 -27.708 1.00 0.00 H new ATOM 0 HB3 CYS A 397 5.150 12.056 -26.524 1.00 0.00 H new ATOM 0 HG CYS A 397 4.090 13.099 -28.924 1.00 0.00 H new ATOM 132 N PRO A 398 5.914 13.036 -23.780 1.00 0.00 N ATOM 133 CA PRO A 398 5.898 12.355 -22.486 1.00 0.00 C ATOM 134 C PRO A 398 5.403 10.920 -22.604 1.00 0.00 C ATOM 135 O PRO A 398 4.391 10.649 -23.250 1.00 0.00 O ATOM 136 CB PRO A 398 4.925 13.192 -21.650 1.00 0.00 C ATOM 137 CG PRO A 398 4.043 13.857 -22.648 1.00 0.00 C ATOM 138 CD PRO A 398 4.900 14.104 -23.857 1.00 0.00 C ATOM 0 HA PRO A 398 6.894 12.282 -22.049 1.00 0.00 H new ATOM 0 HB2 PRO A 398 4.349 12.566 -20.968 1.00 0.00 H new ATOM 0 HB3 PRO A 398 5.455 13.924 -21.040 1.00 0.00 H new ATOM 0 HG2 PRO A 398 3.190 13.226 -22.897 1.00 0.00 H new ATOM 0 HG3 PRO A 398 3.644 14.792 -22.255 1.00 0.00 H new ATOM 0 HD2 PRO A 398 4.322 14.043 -24.779 1.00 0.00 H new ATOM 0 HD3 PRO A 398 5.356 15.094 -23.831 1.00 0.00 H new ATOM 146 N ILE A 399 6.128 10.007 -21.974 1.00 0.00 N ATOM 147 CA ILE A 399 5.772 8.594 -22.001 1.00 0.00 C ATOM 148 C ILE A 399 4.790 8.253 -20.885 1.00 0.00 C ATOM 149 O ILE A 399 3.618 7.975 -21.140 1.00 0.00 O ATOM 150 CB ILE A 399 7.022 7.700 -21.871 1.00 0.00 C ATOM 151 CG1 ILE A 399 8.046 8.057 -22.950 1.00 0.00 C ATOM 152 CG2 ILE A 399 6.639 6.229 -21.963 1.00 0.00 C ATOM 153 CD1 ILE A 399 9.481 7.907 -22.496 1.00 0.00 C ATOM 0 H ILE A 399 6.968 10.219 -21.436 1.00 0.00 H new ATOM 0 HA ILE A 399 5.298 8.402 -22.964 1.00 0.00 H new ATOM 0 HB ILE A 399 7.473 7.876 -20.894 1.00 0.00 H new ATOM 0 HG12 ILE A 399 7.881 7.422 -23.820 1.00 0.00 H new ATOM 0 HG13 ILE A 399 7.881 9.086 -23.270 1.00 0.00 H new ATOM 0 HG21 ILE A 399 7.534 5.614 -21.869 1.00 0.00 H new ATOM 0 HG22 ILE A 399 5.944 5.983 -21.160 1.00 0.00 H new ATOM 0 HG23 ILE A 399 6.165 6.036 -22.925 1.00 0.00 H new ATOM 0 HD11 ILE A 399 10.151 8.177 -23.312 1.00 0.00 H new ATOM 0 HD12 ILE A 399 9.664 8.563 -21.645 1.00 0.00 H new ATOM 0 HD13 ILE A 399 9.664 6.873 -22.203 1.00 0.00 H new ATOM 165 N CYS A 400 5.274 8.275 -19.648 1.00 0.00 N ATOM 166 CA CYS A 400 4.439 7.966 -18.493 1.00 0.00 C ATOM 167 C CYS A 400 3.635 9.189 -18.058 1.00 0.00 C ATOM 168 O CYS A 400 3.747 9.647 -16.921 1.00 0.00 O ATOM 169 CB CYS A 400 5.302 7.467 -17.334 1.00 0.00 C ATOM 170 SG CYS A 400 5.547 5.675 -17.314 1.00 0.00 S ATOM 0 H CYS A 400 6.241 8.504 -19.419 1.00 0.00 H new ATOM 0 HA CYS A 400 3.740 7.180 -18.780 1.00 0.00 H new ATOM 0 HB2 CYS A 400 6.275 7.955 -17.383 1.00 0.00 H new ATOM 0 HB3 CYS A 400 4.840 7.770 -16.394 1.00 0.00 H new ATOM 0 HG CYS A 400 6.291 5.350 -16.299 1.00 0.00 H new ATOM 176 N LYS A 401 2.823 9.714 -18.971 1.00 0.00 N ATOM 177 CA LYS A 401 2.000 10.883 -18.681 1.00 0.00 C ATOM 178 C LYS A 401 0.724 10.484 -17.948 1.00 0.00 C ATOM 179 O LYS A 401 0.231 11.221 -17.094 1.00 0.00 O ATOM 180 CB LYS A 401 1.651 11.622 -19.974 1.00 0.00 C ATOM 181 CG LYS A 401 0.783 10.813 -20.924 1.00 0.00 C ATOM 182 CD LYS A 401 0.906 11.314 -22.356 1.00 0.00 C ATOM 183 CE LYS A 401 -0.459 11.566 -22.978 1.00 0.00 C ATOM 184 NZ LYS A 401 -1.220 10.302 -23.177 1.00 0.00 N ATOM 0 H LYS A 401 2.718 9.348 -19.917 1.00 0.00 H new ATOM 0 HA LYS A 401 2.574 11.548 -18.035 1.00 0.00 H new ATOM 0 HB2 LYS A 401 1.135 12.549 -19.724 1.00 0.00 H new ATOM 0 HB3 LYS A 401 2.573 11.898 -20.485 1.00 0.00 H new ATOM 0 HG2 LYS A 401 1.073 9.763 -20.879 1.00 0.00 H new ATOM 0 HG3 LYS A 401 -0.258 10.870 -20.606 1.00 0.00 H new ATOM 0 HD2 LYS A 401 1.490 12.235 -22.372 1.00 0.00 H new ATOM 0 HD3 LYS A 401 1.450 10.582 -22.953 1.00 0.00 H new ATOM 0 HE2 LYS A 401 -1.031 12.237 -22.338 1.00 0.00 H new ATOM 0 HE3 LYS A 401 -0.334 12.069 -23.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 -2.144 10.517 -23.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 -0.686 9.671 -23.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 -1.362 9.834 -22.259 1.00 0.00 H new ATOM 198 N ALA A 402 0.193 9.314 -18.288 1.00 0.00 N ATOM 199 CA ALA A 402 -1.027 8.818 -17.663 1.00 0.00 C ATOM 200 C ALA A 402 -0.757 8.327 -16.245 1.00 0.00 C ATOM 201 O ALA A 402 -1.624 8.406 -15.375 1.00 0.00 O ATOM 202 CB ALA A 402 -1.634 7.704 -18.503 1.00 0.00 C ATOM 0 H ALA A 402 0.589 8.692 -18.993 1.00 0.00 H new ATOM 0 HA ALA A 402 -1.737 9.643 -17.604 1.00 0.00 H new ATOM 0 HB1 ALA A 402 -2.544 7.343 -18.025 1.00 0.00 H new ATOM 0 HB2 ALA A 402 -1.872 8.086 -19.496 1.00 0.00 H new ATOM 0 HB3 ALA A 402 -0.921 6.885 -18.591 1.00 0.00 H new ATOM 208 N ASP A 403 0.451 7.821 -16.020 1.00 0.00 N ATOM 209 CA ASP A 403 0.836 7.318 -14.706 1.00 0.00 C ATOM 210 C ASP A 403 1.318 8.451 -13.804 1.00 0.00 C ATOM 211 O ASP A 403 1.286 8.337 -12.579 1.00 0.00 O ATOM 212 CB ASP A 403 1.931 6.258 -14.845 1.00 0.00 C ATOM 213 CG ASP A 403 1.718 5.081 -13.913 1.00 0.00 C ATOM 214 OD1 ASP A 403 1.889 5.255 -12.688 1.00 0.00 O ATOM 215 OD2 ASP A 403 1.380 3.985 -14.409 1.00 0.00 O ATOM 0 H ASP A 403 1.180 7.748 -16.730 1.00 0.00 H new ATOM 0 HA ASP A 403 -0.043 6.866 -14.247 1.00 0.00 H new ATOM 0 HB2 ASP A 403 1.960 5.902 -15.875 1.00 0.00 H new ATOM 0 HB3 ASP A 403 2.900 6.711 -14.638 1.00 0.00 H new ATOM 220 N ASP A 404 1.766 9.543 -14.416 1.00 0.00 N ATOM 221 CA ASP A 404 2.253 10.694 -13.664 1.00 0.00 C ATOM 222 C ASP A 404 2.072 11.982 -14.461 1.00 0.00 C ATOM 223 O ASP A 404 2.404 12.044 -15.644 1.00 0.00 O ATOM 224 CB ASP A 404 3.728 10.506 -13.305 1.00 0.00 C ATOM 225 CG ASP A 404 3.965 9.269 -12.463 1.00 0.00 C ATOM 226 OD1 ASP A 404 3.746 9.336 -11.235 1.00 0.00 O ATOM 227 OD2 ASP A 404 4.372 8.233 -13.032 1.00 0.00 O ATOM 0 H ASP A 404 1.802 9.655 -15.429 1.00 0.00 H new ATOM 0 HA ASP A 404 1.669 10.771 -12.747 1.00 0.00 H new ATOM 0 HB2 ASP A 404 4.316 10.437 -14.220 1.00 0.00 H new ATOM 0 HB3 ASP A 404 4.082 11.384 -12.764 1.00 0.00 H new ATOM 232 N ILE A 405 1.542 13.009 -13.803 1.00 0.00 N ATOM 233 CA ILE A 405 1.317 14.296 -14.450 1.00 0.00 C ATOM 234 C ILE A 405 2.262 15.359 -13.899 1.00 0.00 C ATOM 235 O ILE A 405 2.677 16.268 -14.620 1.00 0.00 O ATOM 236 CB ILE A 405 -0.137 14.773 -14.263 1.00 0.00 C ATOM 237 CG1 ILE A 405 -1.117 13.667 -14.661 1.00 0.00 C ATOM 238 CG2 ILE A 405 -0.392 16.031 -15.081 1.00 0.00 C ATOM 239 CD1 ILE A 405 -2.302 13.547 -13.728 1.00 0.00 C ATOM 0 H ILE A 405 1.261 12.974 -12.823 1.00 0.00 H new ATOM 0 HA ILE A 405 1.511 14.154 -15.513 1.00 0.00 H new ATOM 0 HB ILE A 405 -0.292 15.009 -13.210 1.00 0.00 H new ATOM 0 HG12 ILE A 405 -1.478 13.859 -15.671 1.00 0.00 H new ATOM 0 HG13 ILE A 405 -0.587 12.715 -14.687 1.00 0.00 H new ATOM 0 HG21 ILE A 405 -1.423 16.355 -14.938 1.00 0.00 H new ATOM 0 HG22 ILE A 405 0.285 16.821 -14.755 1.00 0.00 H new ATOM 0 HG23 ILE A 405 -0.221 15.820 -16.137 1.00 0.00 H new ATOM 0 HD11 ILE A 405 -2.955 12.744 -14.070 1.00 0.00 H new ATOM 0 HD12 ILE A 405 -1.951 13.325 -12.720 1.00 0.00 H new ATOM 0 HD13 ILE A 405 -2.855 14.486 -13.720 1.00 0.00 H new ATOM 251 N CYS A 406 2.601 15.238 -12.620 1.00 0.00 N ATOM 252 CA CYS A 406 3.498 16.188 -11.974 1.00 0.00 C ATOM 253 C CYS A 406 4.951 15.896 -12.335 1.00 0.00 C ATOM 254 O CYS A 406 5.564 16.621 -13.119 1.00 0.00 O ATOM 255 CB CYS A 406 3.318 16.139 -10.455 1.00 0.00 C ATOM 256 SG CYS A 406 1.738 16.802 -9.877 1.00 0.00 S ATOM 0 H CYS A 406 2.268 14.491 -12.010 1.00 0.00 H new ATOM 0 HA CYS A 406 3.247 17.187 -12.331 1.00 0.00 H new ATOM 0 HB2 CYS A 406 3.409 15.105 -10.122 1.00 0.00 H new ATOM 0 HB3 CYS A 406 4.128 16.698 -9.986 1.00 0.00 H new ATOM 0 HG CYS A 406 1.679 16.715 -8.581 1.00 0.00 H new ATOM 262 N ASP A 407 5.495 14.831 -11.757 1.00 0.00 N ATOM 263 CA ASP A 407 6.877 14.442 -12.018 1.00 0.00 C ATOM 264 C ASP A 407 6.936 13.201 -12.902 1.00 0.00 C ATOM 265 O ASP A 407 6.112 12.295 -12.772 1.00 0.00 O ATOM 266 CB ASP A 407 7.612 14.181 -10.703 1.00 0.00 C ATOM 267 CG ASP A 407 6.926 13.126 -9.856 1.00 0.00 C ATOM 268 OD1 ASP A 407 7.212 11.927 -10.055 1.00 0.00 O ATOM 269 OD2 ASP A 407 6.100 13.499 -8.997 1.00 0.00 O ATOM 0 H ASP A 407 5.001 14.222 -11.105 1.00 0.00 H new ATOM 0 HA ASP A 407 7.366 15.263 -12.543 1.00 0.00 H new ATOM 0 HB2 ASP A 407 8.633 13.864 -10.917 1.00 0.00 H new ATOM 0 HB3 ASP A 407 7.679 15.110 -10.137 1.00 0.00 H new ATOM 274 N HIS A 408 7.915 13.166 -13.800 1.00 0.00 N ATOM 275 CA HIS A 408 8.080 12.035 -14.705 1.00 0.00 C ATOM 276 C HIS A 408 8.876 10.917 -14.037 1.00 0.00 C ATOM 277 O HIS A 408 8.609 9.736 -14.260 1.00 0.00 O ATOM 278 CB HIS A 408 8.783 12.481 -15.989 1.00 0.00 C ATOM 279 CG HIS A 408 8.211 11.869 -17.230 1.00 0.00 C ATOM 280 ND1 HIS A 408 8.825 11.951 -18.461 1.00 0.00 N ATOM 281 CD2 HIS A 408 7.073 11.161 -17.426 1.00 0.00 C ATOM 282 CE1 HIS A 408 8.090 11.322 -19.360 1.00 0.00 C ATOM 283 NE2 HIS A 408 7.021 10.834 -18.759 1.00 0.00 N ATOM 0 H HIS A 408 8.605 13.907 -13.920 1.00 0.00 H new ATOM 0 HA HIS A 408 7.090 11.653 -14.955 1.00 0.00 H new ATOM 0 HB2 HIS A 408 8.722 13.566 -16.068 1.00 0.00 H new ATOM 0 HB3 HIS A 408 9.840 12.225 -15.922 1.00 0.00 H new ATOM 0 HD1 HIS A 408 9.709 12.424 -18.649 1.00 0.00 H new ATOM 0 HD2 HIS A 408 6.342 10.902 -16.674 1.00 0.00 H new ATOM 0 HE1 HIS A 408 8.324 11.224 -20.410 1.00 0.00 H new ATOM 292 N THR A 409 9.854 11.302 -13.219 1.00 0.00 N ATOM 293 CA THR A 409 10.700 10.340 -12.511 1.00 0.00 C ATOM 294 C THR A 409 11.127 9.193 -13.426 1.00 0.00 C ATOM 295 O THR A 409 10.466 8.157 -13.491 1.00 0.00 O ATOM 296 CB THR A 409 9.974 9.794 -11.277 1.00 0.00 C ATOM 297 OG1 THR A 409 10.708 8.734 -10.691 1.00 0.00 O ATOM 298 CG2 THR A 409 8.579 9.279 -11.571 1.00 0.00 C ATOM 0 H THR A 409 10.082 12.278 -13.029 1.00 0.00 H new ATOM 0 HA THR A 409 11.600 10.864 -12.188 1.00 0.00 H new ATOM 0 HB THR A 409 9.891 10.643 -10.598 1.00 0.00 H new ATOM 0 HG1 THR A 409 10.229 8.400 -9.904 1.00 0.00 H new ATOM 0 HG21 THR A 409 8.127 8.908 -10.651 1.00 0.00 H new ATOM 0 HG22 THR A 409 7.970 10.088 -11.975 1.00 0.00 H new ATOM 0 HG23 THR A 409 8.636 8.470 -12.299 1.00 0.00 H new ATOM 306 N LEU A 410 12.233 9.393 -14.136 1.00 0.00 N ATOM 307 CA LEU A 410 12.750 8.383 -15.054 1.00 0.00 C ATOM 308 C LEU A 410 12.982 7.053 -14.340 1.00 0.00 C ATOM 309 O LEU A 410 12.880 5.987 -14.946 1.00 0.00 O ATOM 310 CB LEU A 410 14.054 8.869 -15.693 1.00 0.00 C ATOM 311 CG LEU A 410 14.101 8.778 -17.220 1.00 0.00 C ATOM 312 CD1 LEU A 410 15.298 9.541 -17.764 1.00 0.00 C ATOM 313 CD2 LEU A 410 14.146 7.323 -17.664 1.00 0.00 C ATOM 0 H LEU A 410 12.790 10.247 -14.093 1.00 0.00 H new ATOM 0 HA LEU A 410 12.005 8.224 -15.834 1.00 0.00 H new ATOM 0 HB2 LEU A 410 14.219 9.906 -15.401 1.00 0.00 H new ATOM 0 HB3 LEU A 410 14.880 8.287 -15.284 1.00 0.00 H new ATOM 0 HG LEU A 410 13.195 9.233 -17.621 1.00 0.00 H new ATOM 0 HD11 LEU A 410 15.315 9.465 -18.851 1.00 0.00 H new ATOM 0 HD12 LEU A 410 15.223 10.589 -17.475 1.00 0.00 H new ATOM 0 HD13 LEU A 410 16.216 9.117 -17.357 1.00 0.00 H new ATOM 0 HD21 LEU A 410 14.179 7.276 -18.752 1.00 0.00 H new ATOM 0 HD22 LEU A 410 15.035 6.844 -17.253 1.00 0.00 H new ATOM 0 HD23 LEU A 410 13.256 6.805 -17.305 1.00 0.00 H new ATOM 325 N GLU A 411 13.298 7.124 -13.051 1.00 0.00 N ATOM 326 CA GLU A 411 13.546 5.925 -12.258 1.00 0.00 C ATOM 327 C GLU A 411 12.345 4.983 -12.299 1.00 0.00 C ATOM 328 O GLU A 411 12.497 3.764 -12.217 1.00 0.00 O ATOM 329 CB GLU A 411 13.863 6.302 -10.809 1.00 0.00 C ATOM 330 CG GLU A 411 15.013 7.288 -10.676 1.00 0.00 C ATOM 331 CD GLU A 411 14.589 8.599 -10.045 1.00 0.00 C ATOM 332 OE1 GLU A 411 13.865 8.561 -9.027 1.00 0.00 O ATOM 333 OE2 GLU A 411 14.980 9.664 -10.567 1.00 0.00 O ATOM 0 H GLU A 411 13.388 7.998 -12.534 1.00 0.00 H new ATOM 0 HA GLU A 411 14.404 5.408 -12.689 1.00 0.00 H new ATOM 0 HB2 GLU A 411 12.972 6.731 -10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 411 14.104 5.397 -10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 411 15.804 6.839 -10.075 1.00 0.00 H new ATOM 0 HG3 GLU A 411 15.434 7.484 -11.662 1.00 0.00 H new ATOM 340 N GLN A 412 11.154 5.557 -12.427 1.00 0.00 N ATOM 341 CA GLN A 412 9.927 4.771 -12.479 1.00 0.00 C ATOM 342 C GLN A 412 9.810 4.032 -13.809 1.00 0.00 C ATOM 343 O GLN A 412 9.350 2.892 -13.859 1.00 0.00 O ATOM 344 CB GLN A 412 8.709 5.673 -12.270 1.00 0.00 C ATOM 345 CG GLN A 412 7.705 5.118 -11.272 1.00 0.00 C ATOM 346 CD GLN A 412 7.016 6.207 -10.473 1.00 0.00 C ATOM 347 OE1 GLN A 412 6.222 6.979 -11.010 1.00 0.00 O ATOM 348 NE2 GLN A 412 7.317 6.274 -9.181 1.00 0.00 N ATOM 0 H GLN A 412 11.012 6.565 -12.497 1.00 0.00 H new ATOM 0 HA GLN A 412 9.963 4.033 -11.678 1.00 0.00 H new ATOM 0 HB2 GLN A 412 9.046 6.651 -11.928 1.00 0.00 H new ATOM 0 HB3 GLN A 412 8.211 5.825 -13.228 1.00 0.00 H new ATOM 0 HG2 GLN A 412 6.955 4.533 -11.804 1.00 0.00 H new ATOM 0 HG3 GLN A 412 8.215 4.438 -10.589 1.00 0.00 H new ATOM 0 HE21 GLN A 412 7.981 5.613 -8.777 1.00 0.00 H new ATOM 0 HE22 GLN A 412 6.884 6.986 -8.593 1.00 0.00 H new ATOM 357 N GLN A 413 10.225 4.693 -14.883 1.00 0.00 N ATOM 358 CA GLN A 413 10.167 4.104 -16.215 1.00 0.00 C ATOM 359 C GLN A 413 11.168 2.961 -16.349 1.00 0.00 C ATOM 360 O GLN A 413 10.929 1.997 -17.078 1.00 0.00 O ATOM 361 CB GLN A 413 10.444 5.168 -17.278 1.00 0.00 C ATOM 362 CG GLN A 413 9.526 6.377 -17.182 1.00 0.00 C ATOM 363 CD GLN A 413 9.338 7.073 -18.516 1.00 0.00 C ATOM 364 OE1 GLN A 413 8.918 6.458 -19.497 1.00 0.00 O ATOM 365 NE2 GLN A 413 9.650 8.364 -18.559 1.00 0.00 N ATOM 0 H GLN A 413 10.606 5.639 -14.857 1.00 0.00 H new ATOM 0 HA GLN A 413 9.164 3.703 -16.365 1.00 0.00 H new ATOM 0 HB2 GLN A 413 11.478 5.499 -17.188 1.00 0.00 H new ATOM 0 HB3 GLN A 413 10.338 4.719 -18.266 1.00 0.00 H new ATOM 0 HG2 GLN A 413 8.555 6.062 -16.801 1.00 0.00 H new ATOM 0 HG3 GLN A 413 9.937 7.085 -16.462 1.00 0.00 H new ATOM 0 HE21 GLN A 413 9.995 8.834 -17.722 1.00 0.00 H new ATOM 0 HE22 GLN A 413 9.545 8.885 -19.429 1.00 0.00 H new ATOM 374 N GLN A 414 12.288 3.074 -15.642 1.00 0.00 N ATOM 375 CA GLN A 414 13.324 2.049 -15.683 1.00 0.00 C ATOM 376 C GLN A 414 12.900 0.816 -14.893 1.00 0.00 C ATOM 377 O GLN A 414 12.993 -0.310 -15.383 1.00 0.00 O ATOM 378 CB GLN A 414 14.638 2.601 -15.127 1.00 0.00 C ATOM 379 CG GLN A 414 15.210 3.747 -15.945 1.00 0.00 C ATOM 380 CD GLN A 414 16.364 4.442 -15.247 1.00 0.00 C ATOM 381 OE1 GLN A 414 17.411 3.841 -15.008 1.00 0.00 O ATOM 382 NE2 GLN A 414 16.176 5.714 -14.917 1.00 0.00 N ATOM 0 H GLN A 414 12.501 3.865 -15.034 1.00 0.00 H new ATOM 0 HA GLN A 414 13.472 1.757 -16.723 1.00 0.00 H new ATOM 0 HB2 GLN A 414 14.476 2.941 -14.104 1.00 0.00 H new ATOM 0 HB3 GLN A 414 15.371 1.796 -15.083 1.00 0.00 H new ATOM 0 HG2 GLN A 414 15.549 3.367 -16.909 1.00 0.00 H new ATOM 0 HG3 GLN A 414 14.422 4.473 -16.147 1.00 0.00 H new ATOM 0 HE21 GLN A 414 15.291 6.172 -15.135 1.00 0.00 H new ATOM 0 HE22 GLN A 414 16.916 6.233 -14.445 1.00 0.00 H new ATOM 391 N MET A 415 12.437 1.035 -13.667 1.00 0.00 N ATOM 392 CA MET A 415 11.998 -0.060 -12.809 1.00 0.00 C ATOM 393 C MET A 415 11.033 0.441 -11.739 1.00 0.00 C ATOM 394 O MET A 415 11.026 1.625 -11.400 1.00 0.00 O ATOM 395 CB MET A 415 13.203 -0.734 -12.150 1.00 0.00 C ATOM 396 CG MET A 415 13.014 -2.224 -11.919 1.00 0.00 C ATOM 397 SD MET A 415 14.114 -2.874 -10.646 1.00 0.00 S ATOM 398 CE MET A 415 13.473 -4.536 -10.462 1.00 0.00 C ATOM 0 H MET A 415 12.356 1.960 -13.245 1.00 0.00 H new ATOM 0 HA MET A 415 11.477 -0.789 -13.430 1.00 0.00 H new ATOM 0 HB2 MET A 415 14.082 -0.580 -12.776 1.00 0.00 H new ATOM 0 HB3 MET A 415 13.403 -0.249 -11.195 1.00 0.00 H new ATOM 0 HG2 MET A 415 11.980 -2.415 -11.632 1.00 0.00 H new ATOM 0 HG3 MET A 415 13.190 -2.758 -12.853 1.00 0.00 H new ATOM 0 HE1 MET A 415 14.052 -5.068 -9.706 1.00 0.00 H new ATOM 0 HE2 MET A 415 12.428 -4.491 -10.154 1.00 0.00 H new ATOM 0 HE3 MET A 415 13.548 -5.062 -11.413 1.00 0.00 H new ATOM 408 N GLN A 416 10.220 -0.467 -11.210 1.00 0.00 N ATOM 409 CA GLN A 416 9.251 -0.118 -10.178 1.00 0.00 C ATOM 410 C GLN A 416 9.951 0.420 -8.931 1.00 0.00 C ATOM 411 O GLN A 416 11.077 0.029 -8.625 1.00 0.00 O ATOM 412 CB GLN A 416 8.401 -1.335 -9.813 1.00 0.00 C ATOM 413 CG GLN A 416 7.307 -1.639 -10.824 1.00 0.00 C ATOM 414 CD GLN A 416 7.587 -2.892 -11.630 1.00 0.00 C ATOM 415 OE1 GLN A 416 7.638 -3.995 -11.086 1.00 0.00 O ATOM 416 NE2 GLN A 416 7.771 -2.729 -12.935 1.00 0.00 N ATOM 0 H GLN A 416 10.213 -1.451 -11.479 1.00 0.00 H new ATOM 0 HA GLN A 416 8.603 0.663 -10.575 1.00 0.00 H new ATOM 0 HB2 GLN A 416 9.050 -2.206 -9.719 1.00 0.00 H new ATOM 0 HB3 GLN A 416 7.946 -1.170 -8.836 1.00 0.00 H new ATOM 0 HG2 GLN A 416 6.357 -1.753 -10.302 1.00 0.00 H new ATOM 0 HG3 GLN A 416 7.199 -0.792 -11.502 1.00 0.00 H new ATOM 0 HE21 GLN A 416 7.720 -1.796 -13.345 1.00 0.00 H new ATOM 0 HE22 GLN A 416 7.963 -3.537 -13.528 1.00 0.00 H new ATOM 425 N PRO A 417 9.289 1.328 -8.194 1.00 0.00 N ATOM 426 CA PRO A 417 9.852 1.918 -6.976 1.00 0.00 C ATOM 427 C PRO A 417 9.926 0.916 -5.829 1.00 0.00 C ATOM 428 O PRO A 417 9.260 -0.118 -5.849 1.00 0.00 O ATOM 429 CB PRO A 417 8.871 3.044 -6.640 1.00 0.00 C ATOM 430 CG PRO A 417 7.581 2.614 -7.245 1.00 0.00 C ATOM 431 CD PRO A 417 7.940 1.849 -8.490 1.00 0.00 C ATOM 0 HA PRO A 417 10.877 2.258 -7.124 1.00 0.00 H new ATOM 0 HB2 PRO A 417 8.777 3.179 -5.562 1.00 0.00 H new ATOM 0 HB3 PRO A 417 9.204 3.996 -7.053 1.00 0.00 H new ATOM 0 HG2 PRO A 417 7.015 1.990 -6.554 1.00 0.00 H new ATOM 0 HG3 PRO A 417 6.956 3.475 -7.483 1.00 0.00 H new ATOM 0 HD2 PRO A 417 7.232 1.044 -8.685 1.00 0.00 H new ATOM 0 HD3 PRO A 417 7.942 2.492 -9.370 1.00 0.00 H new ATOM 439 N LEU A 418 10.740 1.233 -4.826 1.00 0.00 N ATOM 440 CA LEU A 418 10.901 0.364 -3.669 1.00 0.00 C ATOM 441 C LEU A 418 9.940 0.758 -2.546 1.00 0.00 C ATOM 442 O LEU A 418 9.872 0.090 -1.520 1.00 0.00 O ATOM 443 CB LEU A 418 12.349 0.392 -3.172 1.00 0.00 C ATOM 444 CG LEU A 418 12.658 1.446 -2.109 1.00 0.00 C ATOM 445 CD1 LEU A 418 13.893 1.058 -1.318 1.00 0.00 C ATOM 446 CD2 LEU A 418 12.826 2.810 -2.755 1.00 0.00 C ATOM 0 H LEU A 418 11.298 2.086 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 418 10.660 -0.653 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 418 12.595 -0.590 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 418 13.005 0.559 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 418 11.820 1.501 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 418 14.098 1.820 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 418 13.724 0.100 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 418 14.746 0.975 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 418 13.046 3.552 -1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 418 13.647 2.775 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 418 11.906 3.084 -3.271 1.00 0.00 H new ATOM 458 N CYS A 419 9.203 1.844 -2.736 1.00 0.00 N ATOM 459 CA CYS A 419 8.260 2.303 -1.726 1.00 0.00 C ATOM 460 C CYS A 419 6.895 2.500 -2.356 1.00 0.00 C ATOM 461 O CYS A 419 6.777 2.640 -3.573 1.00 0.00 O ATOM 462 CB CYS A 419 8.734 3.609 -1.083 1.00 0.00 C ATOM 463 SG CYS A 419 10.514 3.693 -0.776 1.00 0.00 S ATOM 0 H CYS A 419 9.240 2.421 -3.576 1.00 0.00 H new ATOM 0 HA CYS A 419 8.195 1.546 -0.945 1.00 0.00 H new ATOM 0 HB2 CYS A 419 8.450 4.440 -1.728 1.00 0.00 H new ATOM 0 HB3 CYS A 419 8.209 3.745 -0.138 1.00 0.00 H new ATOM 0 HG CYS A 419 10.862 2.732 0.027 1.00 0.00 H new ATOM 469 N PHE A 420 5.859 2.469 -1.532 1.00 0.00 N ATOM 470 CA PHE A 420 4.503 2.601 -2.032 1.00 0.00 C ATOM 471 C PHE A 420 3.732 3.707 -1.336 1.00 0.00 C ATOM 472 O PHE A 420 4.061 4.116 -0.223 1.00 0.00 O ATOM 473 CB PHE A 420 3.777 1.272 -1.875 1.00 0.00 C ATOM 474 CG PHE A 420 4.575 0.119 -2.404 1.00 0.00 C ATOM 475 CD1 PHE A 420 5.648 -0.392 -1.689 1.00 0.00 C ATOM 476 CD2 PHE A 420 4.260 -0.441 -3.624 1.00 0.00 C ATOM 477 CE1 PHE A 420 6.389 -1.444 -2.184 1.00 0.00 C ATOM 478 CE2 PHE A 420 4.992 -1.492 -4.126 1.00 0.00 C ATOM 479 CZ PHE A 420 6.060 -1.999 -3.407 1.00 0.00 C ATOM 0 H PHE A 420 5.932 2.354 -0.521 1.00 0.00 H new ATOM 0 HA PHE A 420 4.562 2.874 -3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 420 3.556 1.104 -0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 420 2.822 1.319 -2.397 1.00 0.00 H new ATOM 0 HD1 PHE A 420 5.906 0.039 -0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 420 3.429 -0.050 -4.192 1.00 0.00 H new ATOM 0 HE1 PHE A 420 7.223 -1.833 -1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 420 4.733 -1.922 -5.082 1.00 0.00 H new ATOM 0 HZ PHE A 420 6.634 -2.825 -3.800 1.00 0.00 H new ATOM 489 N ASN A 421 2.698 4.180 -2.015 1.00 0.00 N ATOM 490 CA ASN A 421 1.850 5.244 -1.489 1.00 0.00 C ATOM 491 C ASN A 421 0.384 4.981 -1.817 1.00 0.00 C ATOM 492 O ASN A 421 0.033 4.726 -2.969 1.00 0.00 O ATOM 493 CB ASN A 421 2.279 6.596 -2.062 1.00 0.00 C ATOM 494 CG ASN A 421 1.466 7.748 -1.503 1.00 0.00 C ATOM 495 OD1 ASN A 421 0.966 8.590 -2.249 1.00 0.00 O ATOM 496 ND2 ASN A 421 1.329 7.790 -0.183 1.00 0.00 N ATOM 0 H ASN A 421 2.423 3.843 -2.937 1.00 0.00 H new ATOM 0 HA ASN A 421 1.963 5.265 -0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 421 3.334 6.761 -1.844 1.00 0.00 H new ATOM 0 HB3 ASN A 421 2.177 6.576 -3.147 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.792 8.541 0.250 1.00 0.00 H new ATOM 0 HD22 ASN A 421 1.761 7.071 0.398 1.00 0.00 H new ATOM 503 N CYS A 422 -0.469 5.048 -0.800 1.00 0.00 N ATOM 504 CA CYS A 422 -1.897 4.819 -0.991 1.00 0.00 C ATOM 505 C CYS A 422 -2.628 6.137 -1.240 1.00 0.00 C ATOM 506 O CYS A 422 -2.716 6.980 -0.347 1.00 0.00 O ATOM 507 CB CYS A 422 -2.496 4.118 0.232 1.00 0.00 C ATOM 508 SG CYS A 422 -4.234 3.657 0.037 1.00 0.00 S ATOM 0 H CYS A 422 -0.198 5.258 0.161 1.00 0.00 H new ATOM 0 HA CYS A 422 -2.021 4.179 -1.864 1.00 0.00 H new ATOM 0 HB2 CYS A 422 -1.914 3.221 0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 422 -2.399 4.774 1.097 1.00 0.00 H new ATOM 513 N PRO A 423 -3.169 6.337 -2.455 1.00 0.00 N ATOM 514 CA PRO A 423 -3.896 7.561 -2.797 1.00 0.00 C ATOM 515 C PRO A 423 -5.301 7.591 -2.200 1.00 0.00 C ATOM 516 O PRO A 423 -6.041 8.556 -2.381 1.00 0.00 O ATOM 517 CB PRO A 423 -3.963 7.510 -4.322 1.00 0.00 C ATOM 518 CG PRO A 423 -3.958 6.056 -4.647 1.00 0.00 C ATOM 519 CD PRO A 423 -3.121 5.389 -3.586 1.00 0.00 C ATOM 0 HA PRO A 423 -3.406 8.452 -2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.863 7.997 -4.696 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.113 8.021 -4.774 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.972 5.655 -4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -3.541 5.881 -5.639 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.526 4.415 -3.310 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -2.099 5.224 -3.927 1.00 0.00 H new ATOM 527 N ILE A 424 -5.660 6.526 -1.489 1.00 0.00 N ATOM 528 CA ILE A 424 -6.970 6.429 -0.867 1.00 0.00 C ATOM 529 C ILE A 424 -6.894 6.739 0.628 1.00 0.00 C ATOM 530 O ILE A 424 -7.866 7.198 1.226 1.00 0.00 O ATOM 531 CB ILE A 424 -7.566 5.020 -1.067 1.00 0.00 C ATOM 532 CG1 ILE A 424 -7.843 4.767 -2.550 1.00 0.00 C ATOM 533 CG2 ILE A 424 -8.838 4.851 -0.249 1.00 0.00 C ATOM 534 CD1 ILE A 424 -7.710 3.315 -2.952 1.00 0.00 C ATOM 0 H ILE A 424 -5.058 5.718 -1.331 1.00 0.00 H new ATOM 0 HA ILE A 424 -7.615 7.165 -1.347 1.00 0.00 H new ATOM 0 HB ILE A 424 -6.839 4.286 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 424 -8.850 5.110 -2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 424 -7.154 5.365 -3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 424 -9.241 3.850 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 424 -8.612 4.990 0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 424 -9.574 5.591 -0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 424 -7.921 3.211 -4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 424 -6.696 2.972 -2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 424 -8.418 2.713 -2.382 1.00 0.00 H new ATOM 546 N CYS A 425 -5.736 6.475 1.227 1.00 0.00 N ATOM 547 CA CYS A 425 -5.541 6.719 2.653 1.00 0.00 C ATOM 548 C CYS A 425 -4.321 7.602 2.917 1.00 0.00 C ATOM 549 O CYS A 425 -4.077 8.007 4.054 1.00 0.00 O ATOM 550 CB CYS A 425 -5.394 5.388 3.388 1.00 0.00 C ATOM 551 SG CYS A 425 -6.759 4.244 3.094 1.00 0.00 S ATOM 0 H CYS A 425 -4.920 6.093 0.748 1.00 0.00 H new ATOM 0 HA CYS A 425 -6.417 7.250 3.025 1.00 0.00 H new ATOM 0 HB2 CYS A 425 -4.462 4.914 3.081 1.00 0.00 H new ATOM 0 HB3 CYS A 425 -5.316 5.580 4.458 1.00 0.00 H new ATOM 556 N ASP A 426 -3.560 7.904 1.868 1.00 0.00 N ATOM 557 CA ASP A 426 -2.372 8.741 2.001 1.00 0.00 C ATOM 558 C ASP A 426 -1.352 8.098 2.935 1.00 0.00 C ATOM 559 O ASP A 426 -0.745 8.771 3.768 1.00 0.00 O ATOM 560 CB ASP A 426 -2.757 10.127 2.523 1.00 0.00 C ATOM 561 CG ASP A 426 -3.693 10.861 1.582 1.00 0.00 C ATOM 562 OD1 ASP A 426 -4.704 10.258 1.162 1.00 0.00 O ATOM 563 OD2 ASP A 426 -3.415 12.037 1.265 1.00 0.00 O ATOM 0 H ASP A 426 -3.745 7.582 0.918 1.00 0.00 H new ATOM 0 HA ASP A 426 -1.918 8.843 1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -3.233 10.025 3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -1.855 10.721 2.669 1.00 0.00 H new ATOM 568 N LYS A 427 -1.167 6.789 2.791 1.00 0.00 N ATOM 569 CA LYS A 427 -0.221 6.054 3.622 1.00 0.00 C ATOM 570 C LYS A 427 0.925 5.492 2.786 1.00 0.00 C ATOM 571 O LYS A 427 0.714 4.990 1.682 1.00 0.00 O ATOM 572 CB LYS A 427 -0.933 4.917 4.356 1.00 0.00 C ATOM 573 CG LYS A 427 -1.530 5.332 5.691 1.00 0.00 C ATOM 574 CD LYS A 427 -0.884 4.589 6.851 1.00 0.00 C ATOM 575 CE LYS A 427 -1.916 4.155 7.880 1.00 0.00 C ATOM 576 NZ LYS A 427 -1.496 2.924 8.604 1.00 0.00 N ATOM 0 H LYS A 427 -1.660 6.216 2.106 1.00 0.00 H new ATOM 0 HA LYS A 427 0.195 6.749 4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 427 -1.726 4.526 3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 427 -0.226 4.104 4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 427 -1.401 6.405 5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 427 -2.603 5.138 5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 427 -0.355 3.714 6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 427 -0.142 5.230 7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 427 -2.075 4.961 8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 427 -2.870 3.977 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 -2.227 2.662 9.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 -1.369 2.148 7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 -0.599 3.101 9.099 1.00 0.00 H new ATOM 590 N ILE A 428 2.138 5.572 3.324 1.00 0.00 N ATOM 591 CA ILE A 428 3.318 5.064 2.634 1.00 0.00 C ATOM 592 C ILE A 428 3.679 3.673 3.142 1.00 0.00 C ATOM 593 O ILE A 428 3.379 3.325 4.284 1.00 0.00 O ATOM 594 CB ILE A 428 4.527 6.000 2.822 1.00 0.00 C ATOM 595 CG1 ILE A 428 4.139 7.442 2.487 1.00 0.00 C ATOM 596 CG2 ILE A 428 5.691 5.544 1.955 1.00 0.00 C ATOM 597 CD1 ILE A 428 5.154 8.464 2.950 1.00 0.00 C ATOM 0 H ILE A 428 2.329 5.984 4.237 1.00 0.00 H new ATOM 0 HA ILE A 428 3.075 5.014 1.573 1.00 0.00 H new ATOM 0 HB ILE A 428 4.840 5.960 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 428 4.009 7.534 1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 428 3.175 7.666 2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 428 6.537 6.216 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 428 5.979 4.531 2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 428 5.391 5.558 0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 428 4.814 9.463 2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 428 5.267 8.400 4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 428 6.114 8.266 2.473 1.00 0.00 H new ATOM 609 N PHE A 429 4.314 2.874 2.290 1.00 0.00 N ATOM 610 CA PHE A 429 4.695 1.518 2.668 1.00 0.00 C ATOM 611 C PHE A 429 6.101 1.163 2.177 1.00 0.00 C ATOM 612 O PHE A 429 6.374 1.204 0.979 1.00 0.00 O ATOM 613 CB PHE A 429 3.687 0.514 2.105 1.00 0.00 C ATOM 614 CG PHE A 429 2.360 0.527 2.812 1.00 0.00 C ATOM 615 CD1 PHE A 429 2.247 0.044 4.105 1.00 0.00 C ATOM 616 CD2 PHE A 429 1.229 1.023 2.182 1.00 0.00 C ATOM 617 CE1 PHE A 429 1.029 0.053 4.758 1.00 0.00 C ATOM 618 CE2 PHE A 429 0.009 1.034 2.830 1.00 0.00 C ATOM 619 CZ PHE A 429 -0.092 0.549 4.119 1.00 0.00 C ATOM 0 H PHE A 429 4.574 3.140 1.340 1.00 0.00 H new ATOM 0 HA PHE A 429 4.697 1.470 3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 429 3.527 0.727 1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 429 4.112 -0.488 2.168 1.00 0.00 H new ATOM 0 HD1 PHE A 429 3.120 -0.344 4.609 1.00 0.00 H new ATOM 0 HD2 PHE A 429 1.302 1.405 1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 429 0.953 -0.327 5.766 1.00 0.00 H new ATOM 0 HE2 PHE A 429 -0.865 1.422 2.329 1.00 0.00 H new ATOM 0 HZ PHE A 429 -1.045 0.557 4.627 1.00 0.00 H new ATOM 629 N PRO A 430 7.011 0.792 3.099 1.00 0.00 N ATOM 630 CA PRO A 430 8.386 0.405 2.751 1.00 0.00 C ATOM 631 C PRO A 430 8.413 -0.760 1.765 1.00 0.00 C ATOM 632 O PRO A 430 7.433 -1.493 1.638 1.00 0.00 O ATOM 633 CB PRO A 430 9.003 -0.011 4.091 1.00 0.00 C ATOM 634 CG PRO A 430 8.158 0.649 5.125 1.00 0.00 C ATOM 635 CD PRO A 430 6.771 0.702 4.551 1.00 0.00 C ATOM 0 HA PRO A 430 8.927 1.215 2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 430 8.997 -1.095 4.209 1.00 0.00 H new ATOM 0 HB3 PRO A 430 10.041 0.312 4.165 1.00 0.00 H new ATOM 0 HG2 PRO A 430 8.173 0.087 6.059 1.00 0.00 H new ATOM 0 HG3 PRO A 430 8.526 1.650 5.350 1.00 0.00 H new ATOM 0 HD2 PRO A 430 6.194 -0.186 4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 430 6.214 1.563 4.921 1.00 0.00 H new ATOM 643 N ALA A 431 9.528 -0.920 1.055 1.00 0.00 N ATOM 644 CA ALA A 431 9.655 -1.994 0.069 1.00 0.00 C ATOM 645 C ALA A 431 9.321 -3.352 0.675 1.00 0.00 C ATOM 646 O ALA A 431 8.770 -4.221 -0.002 1.00 0.00 O ATOM 647 CB ALA A 431 11.062 -2.015 -0.509 1.00 0.00 C ATOM 0 H ALA A 431 10.352 -0.325 1.142 1.00 0.00 H new ATOM 0 HA ALA A 431 8.940 -1.797 -0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 431 11.143 -2.819 -1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 431 11.271 -1.061 -0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 431 11.782 -2.181 0.292 1.00 0.00 H new ATOM 653 N THR A 432 9.637 -3.528 1.952 1.00 0.00 N ATOM 654 CA THR A 432 9.345 -4.781 2.637 1.00 0.00 C ATOM 655 C THR A 432 7.857 -4.874 2.962 1.00 0.00 C ATOM 656 O THR A 432 7.370 -5.918 3.398 1.00 0.00 O ATOM 657 CB THR A 432 10.171 -4.893 3.920 1.00 0.00 C ATOM 658 OG1 THR A 432 9.756 -6.010 4.687 1.00 0.00 O ATOM 659 CG2 THR A 432 10.075 -3.668 4.803 1.00 0.00 C ATOM 0 H THR A 432 10.093 -2.823 2.532 1.00 0.00 H new ATOM 0 HA THR A 432 9.612 -5.606 1.976 1.00 0.00 H new ATOM 0 HB THR A 432 11.204 -5.002 3.590 1.00 0.00 H new ATOM 0 HG1 THR A 432 8.846 -6.265 4.428 1.00 0.00 H new ATOM 0 HG21 THR A 432 10.684 -3.814 5.695 1.00 0.00 H new ATOM 0 HG22 THR A 432 10.435 -2.796 4.256 1.00 0.00 H new ATOM 0 HG23 THR A 432 9.037 -3.510 5.094 1.00 0.00 H new ATOM 667 N GLU A 433 7.139 -3.775 2.743 1.00 0.00 N ATOM 668 CA GLU A 433 5.711 -3.728 3.004 1.00 0.00 C ATOM 669 C GLU A 433 4.912 -3.810 1.708 1.00 0.00 C ATOM 670 O GLU A 433 3.730 -3.472 1.680 1.00 0.00 O ATOM 671 CB GLU A 433 5.352 -2.448 3.760 1.00 0.00 C ATOM 672 CG GLU A 433 5.236 -2.643 5.264 1.00 0.00 C ATOM 673 CD GLU A 433 6.545 -2.395 5.987 1.00 0.00 C ATOM 674 OE1 GLU A 433 7.489 -3.190 5.797 1.00 0.00 O ATOM 675 OE2 GLU A 433 6.626 -1.404 6.744 1.00 0.00 O ATOM 0 H GLU A 433 7.529 -2.904 2.384 1.00 0.00 H new ATOM 0 HA GLU A 433 5.453 -4.590 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 433 6.110 -1.691 3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 433 4.407 -2.063 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 433 4.475 -1.968 5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 433 4.898 -3.659 5.470 1.00 0.00 H new ATOM 682 N LYS A 434 5.553 -4.273 0.637 1.00 0.00 N ATOM 683 CA LYS A 434 4.878 -4.408 -0.646 1.00 0.00 C ATOM 684 C LYS A 434 3.675 -5.329 -0.500 1.00 0.00 C ATOM 685 O LYS A 434 2.592 -5.048 -1.014 1.00 0.00 O ATOM 686 CB LYS A 434 5.838 -4.959 -1.702 1.00 0.00 C ATOM 687 CG LYS A 434 5.203 -5.129 -3.073 1.00 0.00 C ATOM 688 CD LYS A 434 6.222 -5.575 -4.108 1.00 0.00 C ATOM 689 CE LYS A 434 5.623 -6.574 -5.084 1.00 0.00 C ATOM 690 NZ LYS A 434 5.464 -7.923 -4.472 1.00 0.00 N ATOM 0 H LYS A 434 6.532 -4.559 0.634 1.00 0.00 H new ATOM 0 HA LYS A 434 4.539 -3.424 -0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 434 6.694 -4.289 -1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 434 6.220 -5.923 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 434 4.398 -5.862 -3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 434 4.753 -4.187 -3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 434 6.591 -4.707 -4.655 1.00 0.00 H new ATOM 0 HD3 LYS A 434 7.079 -6.024 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 434 4.652 -6.213 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 434 6.261 -6.648 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 5.165 -8.602 -5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 6.371 -8.229 -4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 4.745 -7.881 -3.722 1.00 0.00 H new ATOM 704 N GLN A 435 3.876 -6.423 0.226 1.00 0.00 N ATOM 705 CA GLN A 435 2.813 -7.389 0.472 1.00 0.00 C ATOM 706 C GLN A 435 1.702 -6.744 1.296 1.00 0.00 C ATOM 707 O GLN A 435 0.521 -6.828 0.948 1.00 0.00 O ATOM 708 CB GLN A 435 3.363 -8.618 1.206 1.00 0.00 C ATOM 709 CG GLN A 435 4.788 -8.986 0.814 1.00 0.00 C ATOM 710 CD GLN A 435 5.125 -10.430 1.128 1.00 0.00 C ATOM 711 OE1 GLN A 435 5.286 -11.252 0.225 1.00 0.00 O ATOM 712 NE2 GLN A 435 5.234 -10.747 2.413 1.00 0.00 N ATOM 0 H GLN A 435 4.769 -6.663 0.656 1.00 0.00 H new ATOM 0 HA GLN A 435 2.406 -7.710 -0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 435 3.328 -8.433 2.280 1.00 0.00 H new ATOM 0 HB3 GLN A 435 2.711 -9.469 1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 435 4.925 -8.809 -0.253 1.00 0.00 H new ATOM 0 HG3 GLN A 435 5.485 -8.332 1.338 1.00 0.00 H new ATOM 0 HE21 GLN A 435 5.092 -10.034 3.128 1.00 0.00 H new ATOM 0 HE22 GLN A 435 5.459 -11.704 2.685 1.00 0.00 H new ATOM 721 N ILE A 436 2.095 -6.089 2.384 1.00 0.00 N ATOM 722 CA ILE A 436 1.142 -5.414 3.258 1.00 0.00 C ATOM 723 C ILE A 436 0.429 -4.304 2.502 1.00 0.00 C ATOM 724 O ILE A 436 -0.773 -4.094 2.669 1.00 0.00 O ATOM 725 CB ILE A 436 1.824 -4.807 4.507 1.00 0.00 C ATOM 726 CG1 ILE A 436 2.985 -5.684 4.990 1.00 0.00 C ATOM 727 CG2 ILE A 436 0.806 -4.616 5.621 1.00 0.00 C ATOM 728 CD1 ILE A 436 2.657 -7.161 5.044 1.00 0.00 C ATOM 0 H ILE A 436 3.068 -6.011 2.682 1.00 0.00 H new ATOM 0 HA ILE A 436 0.427 -6.168 3.588 1.00 0.00 H new ATOM 0 HB ILE A 436 2.233 -3.835 4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 436 3.839 -5.535 4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 436 3.289 -5.353 5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 436 1.298 -4.188 6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 436 0.018 -3.943 5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 436 0.371 -5.580 5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 436 3.528 -7.715 5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 436 1.824 -7.324 5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 436 2.383 -7.509 4.048 1.00 0.00 H new ATOM 740 N PHE A 437 1.181 -3.599 1.665 1.00 0.00 N ATOM 741 CA PHE A 437 0.628 -2.513 0.871 1.00 0.00 C ATOM 742 C PHE A 437 -0.446 -3.040 -0.070 1.00 0.00 C ATOM 743 O PHE A 437 -1.532 -2.474 -0.163 1.00 0.00 O ATOM 744 CB PHE A 437 1.738 -1.817 0.076 1.00 0.00 C ATOM 745 CG PHE A 437 1.231 -0.944 -1.039 1.00 0.00 C ATOM 746 CD1 PHE A 437 0.326 0.073 -0.784 1.00 0.00 C ATOM 747 CD2 PHE A 437 1.657 -1.145 -2.341 1.00 0.00 C ATOM 748 CE1 PHE A 437 -0.142 0.875 -1.806 1.00 0.00 C ATOM 749 CE2 PHE A 437 1.193 -0.349 -3.368 1.00 0.00 C ATOM 750 CZ PHE A 437 0.291 0.664 -3.101 1.00 0.00 C ATOM 0 H PHE A 437 2.177 -3.762 1.520 1.00 0.00 H new ATOM 0 HA PHE A 437 0.174 -1.786 1.544 1.00 0.00 H new ATOM 0 HB2 PHE A 437 2.334 -1.210 0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 437 2.402 -2.574 -0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 437 -0.018 0.241 0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 437 2.362 -1.935 -2.555 1.00 0.00 H new ATOM 0 HE1 PHE A 437 -0.846 1.666 -1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 437 1.534 -0.517 -4.379 1.00 0.00 H new ATOM 0 HZ PHE A 437 -0.074 1.289 -3.903 1.00 0.00 H new ATOM 760 N GLU A 438 -0.138 -4.135 -0.762 1.00 0.00 N ATOM 761 CA GLU A 438 -1.087 -4.736 -1.693 1.00 0.00 C ATOM 762 C GLU A 438 -2.374 -5.102 -0.967 1.00 0.00 C ATOM 763 O GLU A 438 -3.471 -4.859 -1.470 1.00 0.00 O ATOM 764 CB GLU A 438 -0.476 -5.978 -2.349 1.00 0.00 C ATOM 765 CG GLU A 438 -0.218 -5.813 -3.838 1.00 0.00 C ATOM 766 CD GLU A 438 0.778 -6.825 -4.371 1.00 0.00 C ATOM 767 OE1 GLU A 438 1.997 -6.585 -4.234 1.00 0.00 O ATOM 768 OE2 GLU A 438 0.340 -7.854 -4.927 1.00 0.00 O ATOM 0 H GLU A 438 0.756 -4.621 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 438 -1.318 -4.010 -2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 438 0.463 -6.218 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 438 -1.144 -6.826 -2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 438 -1.158 -5.914 -4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 438 0.154 -4.806 -4.030 1.00 0.00 H new ATOM 775 N ASP A 439 -2.235 -5.666 0.228 1.00 0.00 N ATOM 776 CA ASP A 439 -3.395 -6.037 1.026 1.00 0.00 C ATOM 777 C ASP A 439 -4.141 -4.782 1.470 1.00 0.00 C ATOM 778 O ASP A 439 -5.372 -4.758 1.524 1.00 0.00 O ATOM 779 CB ASP A 439 -2.966 -6.856 2.246 1.00 0.00 C ATOM 780 CG ASP A 439 -3.218 -8.340 2.062 1.00 0.00 C ATOM 781 OD1 ASP A 439 -3.136 -8.819 0.912 1.00 0.00 O ATOM 782 OD2 ASP A 439 -3.499 -9.023 3.070 1.00 0.00 O ATOM 0 H ASP A 439 -1.336 -5.875 0.662 1.00 0.00 H new ATOM 0 HA ASP A 439 -4.059 -6.649 0.416 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -1.906 -6.691 2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -3.506 -6.504 3.125 1.00 0.00 H new ATOM 787 N HIS A 440 -3.377 -3.736 1.778 1.00 0.00 N ATOM 788 CA HIS A 440 -3.949 -2.467 2.211 1.00 0.00 C ATOM 789 C HIS A 440 -4.768 -1.833 1.093 1.00 0.00 C ATOM 790 O HIS A 440 -5.897 -1.393 1.311 1.00 0.00 O ATOM 791 CB HIS A 440 -2.837 -1.512 2.652 1.00 0.00 C ATOM 792 CG HIS A 440 -3.337 -0.173 3.100 1.00 0.00 C ATOM 793 ND1 HIS A 440 -3.965 0.049 4.306 1.00 0.00 N ATOM 794 CD2 HIS A 440 -3.286 1.033 2.478 1.00 0.00 C ATOM 795 CE1 HIS A 440 -4.268 1.352 4.376 1.00 0.00 C ATOM 796 NE2 HIS A 440 -3.876 1.993 3.293 1.00 0.00 N ATOM 0 H HIS A 440 -2.358 -3.744 1.735 1.00 0.00 H new ATOM 0 HA HIS A 440 -4.610 -2.660 3.056 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.277 -1.972 3.466 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -2.141 -1.372 1.825 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -4.164 -0.653 5.018 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.856 1.217 1.505 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -4.769 1.817 5.212 1.00 0.00 H new ATOM 804 N VAL A 441 -4.198 -1.797 -0.109 1.00 0.00 N ATOM 805 CA VAL A 441 -4.894 -1.224 -1.257 1.00 0.00 C ATOM 806 C VAL A 441 -6.106 -2.076 -1.613 1.00 0.00 C ATOM 807 O VAL A 441 -7.128 -1.564 -2.069 1.00 0.00 O ATOM 808 CB VAL A 441 -3.988 -1.098 -2.507 1.00 0.00 C ATOM 809 CG1 VAL A 441 -4.412 0.098 -3.345 1.00 0.00 C ATOM 810 CG2 VAL A 441 -2.521 -0.975 -2.128 1.00 0.00 C ATOM 0 H VAL A 441 -3.265 -2.154 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 441 -5.201 -0.220 -0.964 1.00 0.00 H new ATOM 0 HB VAL A 441 -4.105 -2.010 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -3.767 0.176 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -5.446 -0.031 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -4.327 1.007 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.918 -0.889 -3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.378 -0.088 -1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.214 -1.860 -1.570 1.00 0.00 H new ATOM 820 N PHE A 442 -5.981 -3.382 -1.392 1.00 0.00 N ATOM 821 CA PHE A 442 -7.064 -4.314 -1.677 1.00 0.00 C ATOM 822 C PHE A 442 -8.276 -4.016 -0.803 1.00 0.00 C ATOM 823 O PHE A 442 -9.412 -4.025 -1.275 1.00 0.00 O ATOM 824 CB PHE A 442 -6.597 -5.755 -1.451 1.00 0.00 C ATOM 825 CG PHE A 442 -6.343 -6.512 -2.723 1.00 0.00 C ATOM 826 CD1 PHE A 442 -7.337 -6.635 -3.680 1.00 0.00 C ATOM 827 CD2 PHE A 442 -5.112 -7.101 -2.960 1.00 0.00 C ATOM 828 CE1 PHE A 442 -7.108 -7.332 -4.850 1.00 0.00 C ATOM 829 CE2 PHE A 442 -4.876 -7.800 -4.128 1.00 0.00 C ATOM 830 CZ PHE A 442 -5.876 -7.915 -5.074 1.00 0.00 C ATOM 0 H PHE A 442 -5.139 -3.818 -1.016 1.00 0.00 H new ATOM 0 HA PHE A 442 -7.352 -4.194 -2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 442 -5.683 -5.743 -0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 442 -7.350 -6.285 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 442 -8.302 -6.181 -3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 442 -4.327 -7.013 -2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 442 -7.891 -7.421 -5.589 1.00 0.00 H new ATOM 0 HE2 PHE A 442 -3.912 -8.255 -4.301 1.00 0.00 H new ATOM 0 HZ PHE A 442 -5.695 -8.460 -5.988 1.00 0.00 H new ATOM 840 N CYS A 443 -8.025 -3.746 0.476 1.00 0.00 N ATOM 841 CA CYS A 443 -9.099 -3.441 1.416 1.00 0.00 C ATOM 842 C CYS A 443 -9.957 -2.290 0.902 1.00 0.00 C ATOM 843 O CYS A 443 -11.154 -2.219 1.180 1.00 0.00 O ATOM 844 CB CYS A 443 -8.518 -3.082 2.787 1.00 0.00 C ATOM 845 SG CYS A 443 -9.666 -3.331 4.162 1.00 0.00 S ATOM 0 H CYS A 443 -7.090 -3.732 0.884 1.00 0.00 H new ATOM 0 HA CYS A 443 -9.726 -4.327 1.514 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -7.625 -3.682 2.960 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -8.203 -2.039 2.775 1.00 0.00 H new ATOM 0 HG CYS A 443 -9.085 -3.003 5.278 1.00 0.00 H new ATOM 851 N HIS A 444 -9.332 -1.394 0.150 1.00 0.00 N ATOM 852 CA HIS A 444 -10.027 -0.242 -0.411 1.00 0.00 C ATOM 853 C HIS A 444 -10.826 -0.629 -1.653 1.00 0.00 C ATOM 854 O HIS A 444 -11.733 0.092 -2.067 1.00 0.00 O ATOM 855 CB HIS A 444 -9.018 0.856 -0.751 1.00 0.00 C ATOM 856 CG HIS A 444 -8.007 1.079 0.329 1.00 0.00 C ATOM 857 ND1 HIS A 444 -8.296 0.996 1.673 1.00 0.00 N ATOM 858 CD2 HIS A 444 -6.685 1.372 0.248 1.00 0.00 C ATOM 859 CE1 HIS A 444 -7.167 1.236 2.351 1.00 0.00 C ATOM 860 NE2 HIS A 444 -6.160 1.469 1.532 1.00 0.00 N ATOM 0 H HIS A 444 -8.341 -1.443 -0.087 1.00 0.00 H new ATOM 0 HA HIS A 444 -10.729 0.131 0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -8.502 0.594 -1.675 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -9.553 1.787 -0.938 1.00 0.00 H new ATOM 0 HD1 HIS A 444 -9.208 0.789 2.080 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.129 1.508 -0.668 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -7.091 1.238 3.428 1.00 0.00 H new ATOM 868 N SER A 445 -10.487 -1.772 -2.244 1.00 0.00 N ATOM 869 CA SER A 445 -11.178 -2.250 -3.436 1.00 0.00 C ATOM 870 C SER A 445 -12.215 -3.317 -3.087 1.00 0.00 C ATOM 871 O SER A 445 -13.083 -3.637 -3.899 1.00 0.00 O ATOM 872 CB SER A 445 -10.171 -2.814 -4.440 1.00 0.00 C ATOM 873 OG SER A 445 -9.234 -3.662 -3.801 1.00 0.00 O ATOM 0 H SER A 445 -9.739 -2.383 -1.917 1.00 0.00 H new ATOM 0 HA SER A 445 -11.698 -1.403 -3.883 1.00 0.00 H new ATOM 0 HB2 SER A 445 -10.698 -3.369 -5.216 1.00 0.00 H new ATOM 0 HB3 SER A 445 -9.648 -1.995 -4.934 1.00 0.00 H new ATOM 0 HG SER A 445 -9.601 -3.970 -2.946 1.00 0.00 H new ATOM 879 N LEU A 446 -12.124 -3.864 -1.877 1.00 0.00 N ATOM 880 CA LEU A 446 -13.060 -4.892 -1.433 1.00 0.00 C ATOM 881 C LEU A 446 -14.181 -4.281 -0.598 1.00 0.00 C ATOM 882 O LEU A 446 -13.883 -3.752 0.493 1.00 0.00 O ATOM 883 CB LEU A 446 -12.330 -5.965 -0.620 1.00 0.00 C ATOM 884 CG LEU A 446 -11.191 -6.676 -1.355 1.00 0.00 C ATOM 885 CD1 LEU A 446 -10.657 -7.830 -0.520 1.00 0.00 C ATOM 886 CD2 LEU A 446 -11.660 -7.175 -2.714 1.00 0.00 C ATOM 887 OXT LEU A 446 -15.346 -4.336 -1.043 1.00 0.00 O ATOM 0 H LEU A 446 -11.414 -3.613 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 446 -13.498 -5.354 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 446 -11.927 -5.504 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 446 -13.056 -6.712 -0.299 1.00 0.00 H new ATOM 0 HG LEU A 446 -10.384 -5.960 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 446 -9.848 -8.324 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 446 -10.282 -7.449 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 446 -11.458 -8.545 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 446 -10.836 -7.678 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 446 -12.485 -7.875 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 446 -11.995 -6.330 -3.316 1.00 0.00 H new TER 899 LEU A 446 HETATM 900 ZN ZN A 447 -5.088 3.098 2.149 1.00 0.00 ZN