USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=13 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 Set 1.1: A 408 HIS : no HD1:sc= -1.88! K(o=-1.7!,f=-2.4) USER MOD Set 1.2: A 413 GLN : amide:sc= 0.19 X(o=-1.7,f=-2.1) 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+ -134:sc= -0.0769 (180deg=-0.566) 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 409 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 412 GLN : amide:sc= -0.0799 X(o=-0.08,f=0) USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 415 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 416 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.11) USER MOD Single : A 419 CYS SG : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc= -0.671 K(o=-0.67,f=0) USER MOD Single : A 427 LYS NZ :NH3+ -159:sc=-0.00261 (180deg=-0.387) USER MOD Single : A 432 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 434 LYS NZ :NH3+ -152:sc= -0.092 (180deg=-0.476) USER MOD Single : A 435 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.015) 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 10.569 -6.641 -31.372 1.00 0.00 N ATOM 2 CA SER A 390 9.898 -5.837 -32.434 1.00 0.00 C ATOM 3 C SER A 390 8.540 -5.312 -31.968 1.00 0.00 C ATOM 4 O SER A 390 8.314 -4.102 -31.934 1.00 0.00 O ATOM 5 CB SER A 390 9.726 -6.706 -33.684 1.00 0.00 C ATOM 6 OG SER A 390 10.825 -6.553 -34.566 1.00 0.00 O ATOM 0 HA SER A 390 10.522 -4.973 -32.662 1.00 0.00 H new ATOM 0 HB2 SER A 390 9.632 -7.752 -33.393 1.00 0.00 H new ATOM 0 HB3 SER A 390 8.803 -6.433 -34.196 1.00 0.00 H new ATOM 0 HG SER A 390 10.692 -7.119 -35.355 1.00 0.00 H new ATOM 14 N PRO A 391 7.616 -6.216 -31.600 1.00 0.00 N ATOM 15 CA PRO A 391 6.280 -5.833 -31.136 1.00 0.00 C ATOM 16 C PRO A 391 6.302 -5.242 -29.731 1.00 0.00 C ATOM 17 O PRO A 391 6.543 -5.949 -28.753 1.00 0.00 O ATOM 18 CB PRO A 391 5.511 -7.154 -31.150 1.00 0.00 C ATOM 19 CG PRO A 391 6.553 -8.198 -30.945 1.00 0.00 C ATOM 20 CD PRO A 391 7.800 -7.680 -31.608 1.00 0.00 C ATOM 0 HA PRO A 391 5.836 -5.059 -31.761 1.00 0.00 H new ATOM 0 HB2 PRO A 391 4.760 -7.184 -30.361 1.00 0.00 H new ATOM 0 HB3 PRO A 391 4.987 -7.297 -32.095 1.00 0.00 H new ATOM 0 HG2 PRO A 391 6.722 -8.377 -29.883 1.00 0.00 H new ATOM 0 HG3 PRO A 391 6.245 -9.147 -31.383 1.00 0.00 H new ATOM 0 HD2 PRO A 391 8.696 -7.974 -31.062 1.00 0.00 H new ATOM 0 HD3 PRO A 391 7.904 -8.065 -32.622 1.00 0.00 H new ATOM 28 N LEU A 392 6.047 -3.941 -29.638 1.00 0.00 N ATOM 29 CA LEU A 392 6.038 -3.254 -28.352 1.00 0.00 C ATOM 30 C LEU A 392 4.635 -3.241 -27.752 1.00 0.00 C ATOM 31 O LEU A 392 3.715 -3.858 -28.288 1.00 0.00 O ATOM 32 CB LEU A 392 6.549 -1.821 -28.511 1.00 0.00 C ATOM 33 CG LEU A 392 7.376 -1.293 -27.334 1.00 0.00 C ATOM 34 CD1 LEU A 392 8.857 -1.297 -27.677 1.00 0.00 C ATOM 35 CD2 LEU A 392 6.921 0.106 -26.946 1.00 0.00 C ATOM 0 H LEU A 392 5.844 -3.342 -30.438 1.00 0.00 H new ATOM 0 HA LEU A 392 6.699 -3.795 -27.675 1.00 0.00 H new ATOM 0 HB2 LEU A 392 7.155 -1.766 -29.415 1.00 0.00 H new ATOM 0 HB3 LEU A 392 5.694 -1.161 -28.660 1.00 0.00 H new ATOM 0 HG LEU A 392 7.220 -1.954 -26.481 1.00 0.00 H new ATOM 0 HD11 LEU A 392 9.428 -0.919 -26.829 1.00 0.00 H new ATOM 0 HD12 LEU A 392 9.175 -2.315 -27.904 1.00 0.00 H new ATOM 0 HD13 LEU A 392 9.031 -0.661 -28.545 1.00 0.00 H new ATOM 0 HD21 LEU A 392 7.520 0.464 -26.109 1.00 0.00 H new ATOM 0 HD22 LEU A 392 7.046 0.778 -27.795 1.00 0.00 H new ATOM 0 HD23 LEU A 392 5.871 0.080 -26.656 1.00 0.00 H new ATOM 47 N SER A 393 4.480 -2.532 -26.638 1.00 0.00 N ATOM 48 CA SER A 393 3.190 -2.437 -25.966 1.00 0.00 C ATOM 49 C SER A 393 2.626 -1.024 -26.072 1.00 0.00 C ATOM 50 O SER A 393 3.084 -0.109 -25.387 1.00 0.00 O ATOM 51 CB SER A 393 3.328 -2.835 -24.495 1.00 0.00 C ATOM 52 OG SER A 393 3.064 -4.215 -24.313 1.00 0.00 O ATOM 0 H SER A 393 5.232 -2.015 -26.182 1.00 0.00 H new ATOM 0 HA SER A 393 2.500 -3.123 -26.457 1.00 0.00 H new ATOM 0 HB2 SER A 393 4.335 -2.605 -24.146 1.00 0.00 H new ATOM 0 HB3 SER A 393 2.638 -2.247 -23.890 1.00 0.00 H new ATOM 0 HG SER A 393 3.160 -4.444 -23.365 1.00 0.00 H new ATOM 58 N ILE A 394 1.631 -0.853 -26.936 1.00 0.00 N ATOM 59 CA ILE A 394 1.005 0.449 -27.133 1.00 0.00 C ATOM 60 C ILE A 394 -0.214 0.616 -26.233 1.00 0.00 C ATOM 61 O ILE A 394 -1.309 0.162 -26.566 1.00 0.00 O ATOM 62 CB ILE A 394 0.579 0.651 -28.600 1.00 0.00 C ATOM 63 CG1 ILE A 394 1.722 0.278 -29.545 1.00 0.00 C ATOM 64 CG2 ILE A 394 0.140 2.090 -28.829 1.00 0.00 C ATOM 65 CD1 ILE A 394 1.544 -1.071 -30.206 1.00 0.00 C ATOM 0 H ILE A 394 1.241 -1.600 -27.511 1.00 0.00 H new ATOM 0 HA ILE A 394 1.750 1.201 -26.872 1.00 0.00 H new ATOM 0 HB ILE A 394 -0.266 -0.005 -28.811 1.00 0.00 H new ATOM 0 HG12 ILE A 394 1.809 1.043 -30.317 1.00 0.00 H new ATOM 0 HG13 ILE A 394 2.659 0.280 -28.988 1.00 0.00 H new ATOM 0 HG21 ILE A 394 -0.158 2.218 -29.870 1.00 0.00 H new ATOM 0 HG22 ILE A 394 -0.704 2.321 -28.179 1.00 0.00 H new ATOM 0 HG23 ILE A 394 0.967 2.763 -28.603 1.00 0.00 H new ATOM 0 HD11 ILE A 394 2.392 -1.269 -30.862 1.00 0.00 H new ATOM 0 HD12 ILE A 394 1.487 -1.846 -29.442 1.00 0.00 H new ATOM 0 HD13 ILE A 394 0.625 -1.071 -30.791 1.00 0.00 H new ATOM 77 N LYS A 395 -0.018 1.269 -25.093 1.00 0.00 N ATOM 78 CA LYS A 395 -1.102 1.496 -24.145 1.00 0.00 C ATOM 79 C LYS A 395 -0.774 2.657 -23.211 1.00 0.00 C ATOM 80 O LYS A 395 0.380 3.068 -23.096 1.00 0.00 O ATOM 81 CB LYS A 395 -1.370 0.228 -23.331 1.00 0.00 C ATOM 82 CG LYS A 395 -2.561 -0.574 -23.830 1.00 0.00 C ATOM 83 CD LYS A 395 -2.364 -2.064 -23.602 1.00 0.00 C ATOM 84 CE LYS A 395 -3.663 -2.742 -23.200 1.00 0.00 C ATOM 85 NZ LYS A 395 -3.800 -2.846 -21.721 1.00 0.00 N ATOM 0 H LYS A 395 0.882 1.651 -24.803 1.00 0.00 H new ATOM 0 HA LYS A 395 -1.998 1.751 -24.710 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -0.482 -0.403 -23.354 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -1.538 0.503 -22.290 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -3.464 -0.243 -23.318 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -2.709 -0.384 -24.893 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -1.978 -2.524 -24.512 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -1.616 -2.218 -22.824 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -4.506 -2.181 -23.604 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -3.704 -3.739 -23.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -4.699 -3.314 -21.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -3.010 -3.403 -21.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -3.787 -1.894 -21.303 1.00 0.00 H new ATOM 99 N LYS A 396 -1.799 3.180 -22.544 1.00 0.00 N ATOM 100 CA LYS A 396 -1.622 4.292 -21.618 1.00 0.00 C ATOM 101 C LYS A 396 -1.469 3.788 -20.186 1.00 0.00 C ATOM 102 O LYS A 396 -2.409 3.246 -19.605 1.00 0.00 O ATOM 103 CB LYS A 396 -2.809 5.251 -21.709 1.00 0.00 C ATOM 104 CG LYS A 396 -2.488 6.664 -21.251 1.00 0.00 C ATOM 105 CD LYS A 396 -3.396 7.686 -21.916 1.00 0.00 C ATOM 106 CE LYS A 396 -3.048 7.871 -23.383 1.00 0.00 C ATOM 107 NZ LYS A 396 -1.646 8.337 -23.566 1.00 0.00 N ATOM 0 H LYS A 396 -2.761 2.851 -22.628 1.00 0.00 H new ATOM 0 HA LYS A 396 -0.712 4.823 -21.896 1.00 0.00 H new ATOM 0 HB2 LYS A 396 -3.160 5.284 -22.740 1.00 0.00 H new ATOM 0 HB3 LYS A 396 -3.628 4.860 -21.105 1.00 0.00 H new ATOM 0 HG2 LYS A 396 -2.596 6.730 -20.168 1.00 0.00 H new ATOM 0 HG3 LYS A 396 -1.448 6.895 -21.482 1.00 0.00 H new ATOM 0 HD2 LYS A 396 -4.434 7.365 -21.825 1.00 0.00 H new ATOM 0 HD3 LYS A 396 -3.311 8.641 -21.398 1.00 0.00 H new ATOM 0 HE2 LYS A 396 -3.189 6.928 -23.911 1.00 0.00 H new ATOM 0 HE3 LYS A 396 -3.732 8.592 -23.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 -1.627 9.119 -24.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 -1.268 8.665 -22.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 -1.063 7.552 -23.920 1.00 0.00 H new ATOM 121 N CYS A 397 -0.278 3.970 -19.623 1.00 0.00 N ATOM 122 CA CYS A 397 -0.004 3.532 -18.260 1.00 0.00 C ATOM 123 C CYS A 397 -0.259 4.657 -17.263 1.00 0.00 C ATOM 124 O CYS A 397 0.033 5.820 -17.540 1.00 0.00 O ATOM 125 CB CYS A 397 1.441 3.044 -18.138 1.00 0.00 C ATOM 126 SG CYS A 397 1.685 1.327 -18.649 1.00 0.00 S ATOM 0 H CYS A 397 0.511 4.417 -20.090 1.00 0.00 H new ATOM 0 HA CYS A 397 -0.679 2.708 -18.029 1.00 0.00 H new ATOM 0 HB2 CYS A 397 2.082 3.686 -18.742 1.00 0.00 H new ATOM 0 HB3 CYS A 397 1.764 3.153 -17.103 1.00 0.00 H new ATOM 0 HG CYS A 397 2.938 1.007 -18.512 1.00 0.00 H new ATOM 132 N PRO A 398 -0.815 4.326 -16.084 1.00 0.00 N ATOM 133 CA PRO A 398 -1.107 5.320 -15.050 1.00 0.00 C ATOM 134 C PRO A 398 0.112 6.163 -14.701 1.00 0.00 C ATOM 135 O PRO A 398 1.208 5.639 -14.500 1.00 0.00 O ATOM 136 CB PRO A 398 -1.533 4.475 -13.847 1.00 0.00 C ATOM 137 CG PRO A 398 -2.026 3.198 -14.434 1.00 0.00 C ATOM 138 CD PRO A 398 -1.199 2.963 -15.667 1.00 0.00 C ATOM 0 HA PRO A 398 -1.866 6.032 -15.375 1.00 0.00 H new ATOM 0 HB2 PRO A 398 -0.697 4.302 -13.169 1.00 0.00 H new ATOM 0 HB3 PRO A 398 -2.313 4.972 -13.271 1.00 0.00 H new ATOM 0 HG2 PRO A 398 -1.916 2.375 -13.727 1.00 0.00 H new ATOM 0 HG3 PRO A 398 -3.085 3.266 -14.682 1.00 0.00 H new ATOM 0 HD2 PRO A 398 -0.326 2.347 -15.454 1.00 0.00 H new ATOM 0 HD3 PRO A 398 -1.769 2.451 -16.442 1.00 0.00 H new ATOM 146 N ILE A 399 -0.089 7.472 -14.631 1.00 0.00 N ATOM 147 CA ILE A 399 0.990 8.395 -14.304 1.00 0.00 C ATOM 148 C ILE A 399 0.918 8.830 -12.845 1.00 0.00 C ATOM 149 O ILE A 399 1.812 8.530 -12.053 1.00 0.00 O ATOM 150 CB ILE A 399 0.953 9.647 -15.202 1.00 0.00 C ATOM 151 CG1 ILE A 399 0.773 9.247 -16.668 1.00 0.00 C ATOM 152 CG2 ILE A 399 2.226 10.462 -15.024 1.00 0.00 C ATOM 153 CD1 ILE A 399 1.907 8.406 -17.209 1.00 0.00 C ATOM 0 H ILE A 399 -0.991 7.919 -14.797 1.00 0.00 H new ATOM 0 HA ILE A 399 1.924 7.861 -14.477 1.00 0.00 H new ATOM 0 HB ILE A 399 0.103 10.263 -14.906 1.00 0.00 H new ATOM 0 HG12 ILE A 399 -0.161 8.694 -16.773 1.00 0.00 H new ATOM 0 HG13 ILE A 399 0.680 10.149 -17.273 1.00 0.00 H new ATOM 0 HG21 ILE A 399 2.186 11.343 -15.664 1.00 0.00 H new ATOM 0 HG22 ILE A 399 2.316 10.773 -13.983 1.00 0.00 H new ATOM 0 HG23 ILE A 399 3.088 9.854 -15.297 1.00 0.00 H new ATOM 0 HD11 ILE A 399 1.712 8.160 -18.253 1.00 0.00 H new ATOM 0 HD12 ILE A 399 2.841 8.964 -17.136 1.00 0.00 H new ATOM 0 HD13 ILE A 399 1.987 7.487 -16.629 1.00 0.00 H new ATOM 165 N CYS A 400 -0.155 9.535 -12.493 1.00 0.00 N ATOM 166 CA CYS A 400 -0.350 10.012 -11.124 1.00 0.00 C ATOM 167 C CYS A 400 0.627 11.135 -10.787 1.00 0.00 C ATOM 168 O CYS A 400 0.217 12.255 -10.483 1.00 0.00 O ATOM 169 CB CYS A 400 -0.189 8.860 -10.128 1.00 0.00 C ATOM 170 SG CYS A 400 -1.465 8.812 -8.846 1.00 0.00 S ATOM 0 H CYS A 400 -0.904 9.789 -13.137 1.00 0.00 H new ATOM 0 HA CYS A 400 -1.363 10.407 -11.049 1.00 0.00 H new ATOM 0 HB2 CYS A 400 -0.201 7.917 -10.674 1.00 0.00 H new ATOM 0 HB3 CYS A 400 0.788 8.939 -9.651 1.00 0.00 H new ATOM 0 HG CYS A 400 -1.247 7.805 -8.054 1.00 0.00 H new ATOM 176 N LYS A 401 1.922 10.829 -10.839 1.00 0.00 N ATOM 177 CA LYS A 401 2.959 11.812 -10.535 1.00 0.00 C ATOM 178 C LYS A 401 2.740 13.113 -11.306 1.00 0.00 C ATOM 179 O LYS A 401 3.173 14.181 -10.873 1.00 0.00 O ATOM 180 CB LYS A 401 4.340 11.242 -10.861 1.00 0.00 C ATOM 181 CG LYS A 401 4.988 10.514 -9.695 1.00 0.00 C ATOM 182 CD LYS A 401 4.408 9.121 -9.516 1.00 0.00 C ATOM 183 CE LYS A 401 5.476 8.121 -9.102 1.00 0.00 C ATOM 184 NZ LYS A 401 5.637 8.061 -7.623 1.00 0.00 N ATOM 0 H LYS A 401 2.278 9.907 -11.089 1.00 0.00 H new ATOM 0 HA LYS A 401 2.902 12.036 -9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 401 4.251 10.555 -11.703 1.00 0.00 H new ATOM 0 HB3 LYS A 401 4.993 12.054 -11.180 1.00 0.00 H new ATOM 0 HG2 LYS A 401 6.063 10.443 -9.861 1.00 0.00 H new ATOM 0 HG3 LYS A 401 4.844 11.089 -8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 401 3.621 9.148 -8.762 1.00 0.00 H new ATOM 0 HD3 LYS A 401 3.946 8.796 -10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 401 5.213 7.133 -9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 401 6.427 8.395 -9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 6.374 7.368 -7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 5.912 8.998 -7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 4.737 7.775 -7.187 1.00 0.00 H new ATOM 198 N ALA A 402 2.068 13.019 -12.449 1.00 0.00 N ATOM 199 CA ALA A 402 1.799 14.193 -13.273 1.00 0.00 C ATOM 200 C ALA A 402 0.922 15.197 -12.533 1.00 0.00 C ATOM 201 O ALA A 402 0.974 16.397 -12.802 1.00 0.00 O ATOM 202 CB ALA A 402 1.140 13.779 -14.580 1.00 0.00 C ATOM 0 H ALA A 402 1.701 12.145 -12.825 1.00 0.00 H new ATOM 0 HA ALA A 402 2.751 14.676 -13.493 1.00 0.00 H new ATOM 0 HB1 ALA A 402 0.945 14.664 -15.185 1.00 0.00 H new ATOM 0 HB2 ALA A 402 1.803 13.106 -15.124 1.00 0.00 H new ATOM 0 HB3 ALA A 402 0.200 13.270 -14.368 1.00 0.00 H new ATOM 208 N ASP A 403 0.114 14.701 -11.600 1.00 0.00 N ATOM 209 CA ASP A 403 -0.775 15.560 -10.825 1.00 0.00 C ATOM 210 C ASP A 403 -0.180 15.887 -9.456 1.00 0.00 C ATOM 211 O ASP A 403 -0.866 16.426 -8.587 1.00 0.00 O ATOM 212 CB ASP A 403 -2.139 14.889 -10.652 1.00 0.00 C ATOM 213 CG ASP A 403 -2.914 14.813 -11.953 1.00 0.00 C ATOM 214 OD1 ASP A 403 -2.431 14.148 -12.893 1.00 0.00 O ATOM 215 OD2 ASP A 403 -4.005 15.416 -12.031 1.00 0.00 O ATOM 0 H ASP A 403 0.057 13.711 -11.363 1.00 0.00 H new ATOM 0 HA ASP A 403 -0.898 16.494 -11.374 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -1.999 13.883 -10.256 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -2.723 15.442 -9.916 1.00 0.00 H new ATOM 220 N ASP A 404 1.096 15.561 -9.264 1.00 0.00 N ATOM 221 CA ASP A 404 1.769 15.826 -7.998 1.00 0.00 C ATOM 222 C ASP A 404 3.089 16.553 -8.223 1.00 0.00 C ATOM 223 O ASP A 404 3.401 17.526 -7.535 1.00 0.00 O ATOM 224 CB ASP A 404 2.015 14.519 -7.242 1.00 0.00 C ATOM 225 CG ASP A 404 0.735 13.910 -6.706 1.00 0.00 C ATOM 226 OD1 ASP A 404 0.333 14.270 -5.580 1.00 0.00 O ATOM 227 OD2 ASP A 404 0.134 13.074 -7.413 1.00 0.00 O ATOM 0 H ASP A 404 1.683 15.114 -9.968 1.00 0.00 H new ATOM 0 HA ASP A 404 1.121 16.467 -7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 404 2.503 13.805 -7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 404 2.700 14.705 -6.415 1.00 0.00 H new ATOM 232 N ILE A 405 3.861 16.072 -9.189 1.00 0.00 N ATOM 233 CA ILE A 405 5.149 16.673 -9.510 1.00 0.00 C ATOM 234 C ILE A 405 5.410 16.644 -11.012 1.00 0.00 C ATOM 235 O ILE A 405 4.588 16.153 -11.785 1.00 0.00 O ATOM 236 CB ILE A 405 6.302 15.950 -8.787 1.00 0.00 C ATOM 237 CG1 ILE A 405 6.194 14.438 -8.991 1.00 0.00 C ATOM 238 CG2 ILE A 405 6.293 16.291 -7.304 1.00 0.00 C ATOM 239 CD1 ILE A 405 6.672 13.977 -10.351 1.00 0.00 C ATOM 0 H ILE A 405 3.617 15.266 -9.765 1.00 0.00 H new ATOM 0 HA ILE A 405 5.108 17.708 -9.170 1.00 0.00 H new ATOM 0 HB ILE A 405 7.247 16.288 -9.213 1.00 0.00 H new ATOM 0 HG12 ILE A 405 6.775 13.933 -8.220 1.00 0.00 H new ATOM 0 HG13 ILE A 405 5.156 14.135 -8.857 1.00 0.00 H new ATOM 0 HG21 ILE A 405 7.113 15.773 -6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 405 6.413 17.367 -7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 405 5.346 15.978 -6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 405 6.567 12.895 -10.426 1.00 0.00 H new ATOM 0 HD12 ILE A 405 6.075 14.454 -11.128 1.00 0.00 H new ATOM 0 HD13 ILE A 405 7.719 14.249 -10.480 1.00 0.00 H new ATOM 251 N CYS A 406 6.559 17.174 -11.419 1.00 0.00 N ATOM 252 CA CYS A 406 6.928 17.209 -12.830 1.00 0.00 C ATOM 253 C CYS A 406 7.926 16.104 -13.158 1.00 0.00 C ATOM 254 O CYS A 406 7.851 15.480 -14.217 1.00 0.00 O ATOM 255 CB CYS A 406 7.519 18.573 -13.190 1.00 0.00 C ATOM 256 SG CYS A 406 6.295 19.897 -13.318 1.00 0.00 S ATOM 0 H CYS A 406 7.251 17.585 -10.792 1.00 0.00 H new ATOM 0 HA CYS A 406 6.027 17.045 -13.421 1.00 0.00 H new ATOM 0 HB2 CYS A 406 8.258 18.847 -12.437 1.00 0.00 H new ATOM 0 HB3 CYS A 406 8.048 18.489 -14.139 1.00 0.00 H new ATOM 0 HG CYS A 406 6.891 21.011 -13.624 1.00 0.00 H new ATOM 262 N ASP A 407 8.863 15.869 -12.245 1.00 0.00 N ATOM 263 CA ASP A 407 9.876 14.838 -12.438 1.00 0.00 C ATOM 264 C ASP A 407 9.280 13.446 -12.258 1.00 0.00 C ATOM 265 O ASP A 407 9.173 12.946 -11.138 1.00 0.00 O ATOM 266 CB ASP A 407 11.032 15.041 -11.456 1.00 0.00 C ATOM 267 CG ASP A 407 12.294 14.323 -11.892 1.00 0.00 C ATOM 268 OD1 ASP A 407 12.525 14.218 -13.114 1.00 0.00 O ATOM 269 OD2 ASP A 407 13.052 13.867 -11.010 1.00 0.00 O ATOM 0 H ASP A 407 8.942 16.378 -11.365 1.00 0.00 H new ATOM 0 HA ASP A 407 10.253 14.922 -13.457 1.00 0.00 H new ATOM 0 HB2 ASP A 407 11.239 16.107 -11.358 1.00 0.00 H new ATOM 0 HB3 ASP A 407 10.735 14.682 -10.471 1.00 0.00 H new ATOM 274 N HIS A 408 8.892 12.827 -13.368 1.00 0.00 N ATOM 275 CA HIS A 408 8.305 11.492 -13.334 1.00 0.00 C ATOM 276 C HIS A 408 9.388 10.419 -13.301 1.00 0.00 C ATOM 277 O HIS A 408 9.193 9.342 -12.740 1.00 0.00 O ATOM 278 CB HIS A 408 7.396 11.281 -14.546 1.00 0.00 C ATOM 279 CG HIS A 408 6.593 10.019 -14.481 1.00 0.00 C ATOM 280 ND1 HIS A 408 5.317 9.963 -13.959 1.00 0.00 N ATOM 281 CD2 HIS A 408 6.890 8.758 -14.876 1.00 0.00 C ATOM 282 CE1 HIS A 408 4.865 8.725 -14.036 1.00 0.00 C ATOM 283 NE2 HIS A 408 5.800 7.974 -14.589 1.00 0.00 N ATOM 0 H HIS A 408 8.973 13.228 -14.302 1.00 0.00 H new ATOM 0 HA HIS A 408 7.711 11.408 -12.424 1.00 0.00 H new ATOM 0 HB2 HIS A 408 6.717 12.129 -14.633 1.00 0.00 H new ATOM 0 HB3 HIS A 408 8.006 11.267 -15.449 1.00 0.00 H new ATOM 0 HD2 HIS A 408 7.813 8.430 -15.332 1.00 0.00 H new ATOM 0 HE1 HIS A 408 3.896 8.384 -13.703 1.00 0.00 H new ATOM 0 HE2 HIS A 408 5.725 6.974 -14.773 1.00 0.00 H new ATOM 292 N THR A 409 10.533 10.721 -13.907 1.00 0.00 N ATOM 293 CA THR A 409 11.649 9.783 -13.946 1.00 0.00 C ATOM 294 C THR A 409 11.264 8.506 -14.687 1.00 0.00 C ATOM 295 O THR A 409 10.436 7.728 -14.212 1.00 0.00 O ATOM 296 CB THR A 409 12.109 9.444 -12.527 1.00 0.00 C ATOM 297 OG1 THR A 409 11.733 10.466 -11.621 1.00 0.00 O ATOM 298 CG2 THR A 409 13.606 9.257 -12.412 1.00 0.00 C ATOM 0 H THR A 409 10.712 11.608 -14.378 1.00 0.00 H new ATOM 0 HA THR A 409 12.470 10.259 -14.483 1.00 0.00 H new ATOM 0 HB THR A 409 11.621 8.500 -12.283 1.00 0.00 H new ATOM 0 HG1 THR A 409 12.034 10.230 -10.719 1.00 0.00 H new ATOM 0 HG21 THR A 409 13.865 9.019 -11.380 1.00 0.00 H new ATOM 0 HG22 THR A 409 13.922 8.442 -13.063 1.00 0.00 H new ATOM 0 HG23 THR A 409 14.111 10.176 -12.710 1.00 0.00 H new ATOM 306 N LEU A 410 11.867 8.298 -15.852 1.00 0.00 N ATOM 307 CA LEU A 410 11.588 7.116 -16.659 1.00 0.00 C ATOM 308 C LEU A 410 11.997 5.844 -15.923 1.00 0.00 C ATOM 309 O LEU A 410 11.365 4.798 -16.073 1.00 0.00 O ATOM 310 CB LEU A 410 12.323 7.201 -17.998 1.00 0.00 C ATOM 311 CG LEU A 410 11.562 7.925 -19.110 1.00 0.00 C ATOM 312 CD1 LEU A 410 12.484 8.217 -20.284 1.00 0.00 C ATOM 313 CD2 LEU A 410 10.366 7.099 -19.562 1.00 0.00 C ATOM 0 H LEU A 410 12.553 8.933 -16.259 1.00 0.00 H new ATOM 0 HA LEU A 410 10.514 7.079 -16.843 1.00 0.00 H new ATOM 0 HB2 LEU A 410 13.275 7.708 -17.841 1.00 0.00 H new ATOM 0 HB3 LEU A 410 12.552 6.190 -18.334 1.00 0.00 H new ATOM 0 HG LEU A 410 11.196 8.873 -18.717 1.00 0.00 H new ATOM 0 HD11 LEU A 410 11.926 8.732 -21.066 1.00 0.00 H new ATOM 0 HD12 LEU A 410 13.308 8.848 -19.951 1.00 0.00 H new ATOM 0 HD13 LEU A 410 12.879 7.281 -20.678 1.00 0.00 H new ATOM 0 HD21 LEU A 410 9.836 7.629 -20.353 1.00 0.00 H new ATOM 0 HD22 LEU A 410 10.710 6.136 -19.938 1.00 0.00 H new ATOM 0 HD23 LEU A 410 9.694 6.940 -18.719 1.00 0.00 H new ATOM 325 N GLU A 411 13.057 5.941 -15.127 1.00 0.00 N ATOM 326 CA GLU A 411 13.550 4.797 -14.368 1.00 0.00 C ATOM 327 C GLU A 411 12.482 4.278 -13.410 1.00 0.00 C ATOM 328 O GLU A 411 12.317 3.071 -13.244 1.00 0.00 O ATOM 329 CB GLU A 411 14.809 5.181 -13.587 1.00 0.00 C ATOM 330 CG GLU A 411 15.938 5.694 -14.466 1.00 0.00 C ATOM 331 CD GLU A 411 17.284 5.646 -13.773 1.00 0.00 C ATOM 332 OE1 GLU A 411 17.479 6.404 -12.799 1.00 0.00 O ATOM 333 OE2 GLU A 411 18.145 4.850 -14.202 1.00 0.00 O ATOM 0 H GLU A 411 13.591 6.799 -14.991 1.00 0.00 H new ATOM 0 HA GLU A 411 13.796 4.003 -15.074 1.00 0.00 H new ATOM 0 HB2 GLU A 411 14.553 5.947 -12.855 1.00 0.00 H new ATOM 0 HB3 GLU A 411 15.160 4.312 -13.030 1.00 0.00 H new ATOM 0 HG2 GLU A 411 15.982 5.099 -15.378 1.00 0.00 H new ATOM 0 HG3 GLU A 411 15.724 6.720 -14.764 1.00 0.00 H new ATOM 340 N GLN A 412 11.761 5.201 -12.781 1.00 0.00 N ATOM 341 CA GLN A 412 10.708 4.839 -11.840 1.00 0.00 C ATOM 342 C GLN A 412 9.500 4.260 -12.570 1.00 0.00 C ATOM 343 O GLN A 412 8.791 3.406 -12.037 1.00 0.00 O ATOM 344 CB GLN A 412 10.289 6.060 -11.018 1.00 0.00 C ATOM 345 CG GLN A 412 10.369 5.840 -9.516 1.00 0.00 C ATOM 346 CD GLN A 412 10.506 7.137 -8.743 1.00 0.00 C ATOM 347 OE1 GLN A 412 11.300 7.234 -7.807 1.00 0.00 O ATOM 348 NE2 GLN A 412 9.730 8.142 -9.132 1.00 0.00 N ATOM 0 H GLN A 412 11.887 6.205 -12.906 1.00 0.00 H new ATOM 0 HA GLN A 412 11.101 4.076 -11.168 1.00 0.00 H new ATOM 0 HB2 GLN A 412 10.924 6.904 -11.287 1.00 0.00 H new ATOM 0 HB3 GLN A 412 9.267 6.332 -11.283 1.00 0.00 H new ATOM 0 HG2 GLN A 412 9.474 5.315 -9.181 1.00 0.00 H new ATOM 0 HG3 GLN A 412 11.219 5.196 -9.292 1.00 0.00 H new ATOM 0 HE21 GLN A 412 9.086 8.016 -9.913 1.00 0.00 H new ATOM 0 HE22 GLN A 412 9.778 9.039 -8.650 1.00 0.00 H new ATOM 357 N GLN A 413 9.273 4.729 -13.793 1.00 0.00 N ATOM 358 CA GLN A 413 8.151 4.258 -14.596 1.00 0.00 C ATOM 359 C GLN A 413 8.412 2.852 -15.127 1.00 0.00 C ATOM 360 O GLN A 413 7.482 2.070 -15.323 1.00 0.00 O ATOM 361 CB GLN A 413 7.895 5.216 -15.762 1.00 0.00 C ATOM 362 CG GLN A 413 6.587 4.954 -16.489 1.00 0.00 C ATOM 363 CD GLN A 413 6.469 5.744 -17.778 1.00 0.00 C ATOM 364 OE1 GLN A 413 6.890 5.287 -18.840 1.00 0.00 O ATOM 365 NE2 GLN A 413 5.895 6.938 -17.689 1.00 0.00 N ATOM 0 H GLN A 413 9.851 5.435 -14.249 1.00 0.00 H new ATOM 0 HA GLN A 413 7.268 4.227 -13.958 1.00 0.00 H new ATOM 0 HB2 GLN A 413 7.894 6.239 -15.387 1.00 0.00 H new ATOM 0 HB3 GLN A 413 8.718 5.138 -16.473 1.00 0.00 H new ATOM 0 HG2 GLN A 413 6.505 3.890 -16.710 1.00 0.00 H new ATOM 0 HG3 GLN A 413 5.754 5.208 -15.834 1.00 0.00 H new ATOM 0 HE21 GLN A 413 5.560 7.277 -16.787 1.00 0.00 H new ATOM 0 HE22 GLN A 413 5.789 7.516 -18.523 1.00 0.00 H new ATOM 374 N GLN A 414 9.682 2.538 -15.358 1.00 0.00 N ATOM 375 CA GLN A 414 10.064 1.226 -15.867 1.00 0.00 C ATOM 376 C GLN A 414 10.205 0.218 -14.730 1.00 0.00 C ATOM 377 O GLN A 414 9.350 -0.647 -14.544 1.00 0.00 O ATOM 378 CB GLN A 414 11.378 1.321 -16.645 1.00 0.00 C ATOM 379 CG GLN A 414 11.270 2.136 -17.924 1.00 0.00 C ATOM 380 CD GLN A 414 12.545 2.108 -18.743 1.00 0.00 C ATOM 381 OE1 GLN A 414 12.824 1.136 -19.446 1.00 0.00 O ATOM 382 NE2 GLN A 414 13.328 3.176 -18.656 1.00 0.00 N ATOM 0 H GLN A 414 10.464 3.174 -15.201 1.00 0.00 H new ATOM 0 HA GLN A 414 9.276 0.882 -16.537 1.00 0.00 H new ATOM 0 HB2 GLN A 414 12.139 1.766 -16.004 1.00 0.00 H new ATOM 0 HB3 GLN A 414 11.718 0.315 -16.892 1.00 0.00 H new ATOM 0 HG2 GLN A 414 10.447 1.752 -18.527 1.00 0.00 H new ATOM 0 HG3 GLN A 414 11.026 3.168 -17.673 1.00 0.00 H new ATOM 0 HE21 GLN A 414 13.058 3.959 -18.061 1.00 0.00 H new ATOM 0 HE22 GLN A 414 14.200 3.214 -19.184 1.00 0.00 H new ATOM 391 N MET A 415 11.292 0.336 -13.973 1.00 0.00 N ATOM 392 CA MET A 415 11.545 -0.566 -12.854 1.00 0.00 C ATOM 393 C MET A 415 10.496 -0.387 -11.762 1.00 0.00 C ATOM 394 O MET A 415 10.005 0.718 -11.533 1.00 0.00 O ATOM 395 CB MET A 415 12.942 -0.319 -12.280 1.00 0.00 C ATOM 396 CG MET A 415 13.390 -1.383 -11.291 1.00 0.00 C ATOM 397 SD MET A 415 14.589 -2.530 -11.997 1.00 0.00 S ATOM 398 CE MET A 415 16.116 -1.636 -11.722 1.00 0.00 C ATOM 0 H MET A 415 12.011 1.046 -14.114 1.00 0.00 H new ATOM 0 HA MET A 415 11.486 -1.589 -13.224 1.00 0.00 H new ATOM 0 HB2 MET A 415 13.659 -0.271 -13.099 1.00 0.00 H new ATOM 0 HB3 MET A 415 12.956 0.653 -11.787 1.00 0.00 H new ATOM 0 HG2 MET A 415 13.827 -0.900 -10.417 1.00 0.00 H new ATOM 0 HG3 MET A 415 12.520 -1.941 -10.945 1.00 0.00 H new ATOM 0 HE1 MET A 415 16.953 -2.219 -12.106 1.00 0.00 H new ATOM 0 HE2 MET A 415 16.074 -0.677 -12.238 1.00 0.00 H new ATOM 0 HE3 MET A 415 16.251 -1.467 -10.654 1.00 0.00 H new ATOM 408 N GLN A 416 10.156 -1.483 -11.089 1.00 0.00 N ATOM 409 CA GLN A 416 9.166 -1.448 -10.021 1.00 0.00 C ATOM 410 C GLN A 416 9.638 -0.555 -8.874 1.00 0.00 C ATOM 411 O GLN A 416 10.824 -0.535 -8.541 1.00 0.00 O ATOM 412 CB GLN A 416 8.890 -2.863 -9.506 1.00 0.00 C ATOM 413 CG GLN A 416 7.410 -3.193 -9.399 1.00 0.00 C ATOM 414 CD GLN A 416 6.994 -3.571 -7.990 1.00 0.00 C ATOM 415 OE1 GLN A 416 6.244 -4.525 -7.787 1.00 0.00 O ATOM 416 NE2 GLN A 416 7.482 -2.821 -7.009 1.00 0.00 N ATOM 0 H GLN A 416 10.553 -2.406 -11.266 1.00 0.00 H new ATOM 0 HA GLN A 416 8.243 -1.032 -10.425 1.00 0.00 H new ATOM 0 HB2 GLN A 416 9.367 -3.582 -10.171 1.00 0.00 H new ATOM 0 HB3 GLN A 416 9.352 -2.981 -8.526 1.00 0.00 H new ATOM 0 HG2 GLN A 416 6.826 -2.333 -9.727 1.00 0.00 H new ATOM 0 HG3 GLN A 416 7.176 -4.015 -10.075 1.00 0.00 H new ATOM 0 HE21 GLN A 416 8.101 -2.039 -7.224 1.00 0.00 H new ATOM 0 HE22 GLN A 416 7.238 -3.027 -6.040 1.00 0.00 H new ATOM 425 N PRO A 417 8.715 0.204 -8.254 1.00 0.00 N ATOM 426 CA PRO A 417 9.051 1.101 -7.147 1.00 0.00 C ATOM 427 C PRO A 417 9.258 0.357 -5.832 1.00 0.00 C ATOM 428 O PRO A 417 8.527 -0.581 -5.514 1.00 0.00 O ATOM 429 CB PRO A 417 7.827 2.012 -7.059 1.00 0.00 C ATOM 430 CG PRO A 417 6.698 1.169 -7.544 1.00 0.00 C ATOM 431 CD PRO A 417 7.278 0.250 -8.588 1.00 0.00 C ATOM 0 HA PRO A 417 9.989 1.630 -7.319 1.00 0.00 H new ATOM 0 HB2 PRO A 417 7.658 2.352 -6.037 1.00 0.00 H new ATOM 0 HB3 PRO A 417 7.950 2.903 -7.675 1.00 0.00 H new ATOM 0 HG2 PRO A 417 6.258 0.600 -6.725 1.00 0.00 H new ATOM 0 HG3 PRO A 417 5.905 1.786 -7.966 1.00 0.00 H new ATOM 0 HD2 PRO A 417 6.825 -0.741 -8.546 1.00 0.00 H new ATOM 0 HD3 PRO A 417 7.113 0.633 -9.595 1.00 0.00 H new ATOM 439 N LEU A 418 10.261 0.785 -5.072 1.00 0.00 N ATOM 440 CA LEU A 418 10.574 0.166 -3.790 1.00 0.00 C ATOM 441 C LEU A 418 9.791 0.807 -2.649 1.00 0.00 C ATOM 442 O LEU A 418 9.847 0.345 -1.512 1.00 0.00 O ATOM 443 CB LEU A 418 12.070 0.237 -3.520 1.00 0.00 C ATOM 444 CG LEU A 418 12.880 -0.815 -4.268 1.00 0.00 C ATOM 445 CD1 LEU A 418 13.492 -0.219 -5.522 1.00 0.00 C ATOM 446 CD2 LEU A 418 13.946 -1.412 -3.364 1.00 0.00 C ATOM 0 H LEU A 418 10.873 1.561 -5.324 1.00 0.00 H new ATOM 0 HA LEU A 418 10.275 -0.881 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 418 12.433 1.227 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 418 12.243 0.122 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 418 12.211 -1.621 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 418 14.067 -0.983 -6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 418 12.700 0.148 -6.174 1.00 0.00 H new ATOM 0 HD13 LEU A 418 14.149 0.607 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 418 14.514 -2.161 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 418 14.619 -0.624 -3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 418 13.471 -1.880 -2.501 1.00 0.00 H new ATOM 458 N CYS A 419 9.048 1.858 -2.959 1.00 0.00 N ATOM 459 CA CYS A 419 8.241 2.537 -1.962 1.00 0.00 C ATOM 460 C CYS A 419 6.823 2.660 -2.485 1.00 0.00 C ATOM 461 O CYS A 419 6.594 2.571 -3.692 1.00 0.00 O ATOM 462 CB CYS A 419 8.816 3.916 -1.630 1.00 0.00 C ATOM 463 SG CYS A 419 9.447 4.824 -3.062 1.00 0.00 S ATOM 0 H CYS A 419 8.988 2.258 -3.895 1.00 0.00 H new ATOM 0 HA CYS A 419 8.245 1.955 -1.040 1.00 0.00 H new ATOM 0 HB2 CYS A 419 8.042 4.513 -1.148 1.00 0.00 H new ATOM 0 HB3 CYS A 419 9.622 3.796 -0.906 1.00 0.00 H new ATOM 0 HG CYS A 419 9.908 5.976 -2.676 1.00 0.00 H new ATOM 469 N PHE A 420 5.867 2.821 -1.587 1.00 0.00 N ATOM 470 CA PHE A 420 4.477 2.900 -2.000 1.00 0.00 C ATOM 471 C PHE A 420 3.713 3.979 -1.252 1.00 0.00 C ATOM 472 O PHE A 420 4.034 4.316 -0.114 1.00 0.00 O ATOM 473 CB PHE A 420 3.824 1.535 -1.800 1.00 0.00 C ATOM 474 CG PHE A 420 4.625 0.422 -2.413 1.00 0.00 C ATOM 475 CD1 PHE A 420 4.737 0.325 -3.789 1.00 0.00 C ATOM 476 CD2 PHE A 420 5.279 -0.514 -1.622 1.00 0.00 C ATOM 477 CE1 PHE A 420 5.482 -0.682 -4.367 1.00 0.00 C ATOM 478 CE2 PHE A 420 6.027 -1.524 -2.197 1.00 0.00 C ATOM 479 CZ PHE A 420 6.128 -1.607 -3.572 1.00 0.00 C ATOM 0 H PHE A 420 6.023 2.899 -0.582 1.00 0.00 H new ATOM 0 HA PHE A 420 4.446 3.177 -3.054 1.00 0.00 H new ATOM 0 HB2 PHE A 420 3.702 1.346 -0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 420 2.826 1.545 -2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 420 4.235 1.046 -4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 420 5.202 -0.452 -0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 420 5.560 -0.747 -5.442 1.00 0.00 H new ATOM 0 HE2 PHE A 420 6.531 -2.247 -1.573 1.00 0.00 H new ATOM 0 HZ PHE A 420 6.712 -2.395 -4.025 1.00 0.00 H new ATOM 489 N ASN A 421 2.698 4.514 -1.916 1.00 0.00 N ATOM 490 CA ASN A 421 1.864 5.561 -1.341 1.00 0.00 C ATOM 491 C ASN A 421 0.399 5.343 -1.704 1.00 0.00 C ATOM 492 O ASN A 421 0.042 5.312 -2.882 1.00 0.00 O ATOM 493 CB ASN A 421 2.325 6.936 -1.828 1.00 0.00 C ATOM 494 CG ASN A 421 1.528 8.067 -1.205 1.00 0.00 C ATOM 495 OD1 ASN A 421 1.038 8.955 -1.903 1.00 0.00 O ATOM 496 ND2 ASN A 421 1.395 8.039 0.116 1.00 0.00 N ATOM 0 H ASN A 421 2.431 4.238 -2.861 1.00 0.00 H new ATOM 0 HA ASN A 421 1.963 5.519 -0.256 1.00 0.00 H new ATOM 0 HB2 ASN A 421 3.381 7.067 -1.592 1.00 0.00 H new ATOM 0 HB3 ASN A 421 2.232 6.984 -2.913 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.870 8.773 0.591 1.00 0.00 H new ATOM 0 HD22 ASN A 421 1.818 7.284 0.655 1.00 0.00 H new ATOM 503 N CYS A 422 -0.444 5.188 -0.690 1.00 0.00 N ATOM 504 CA CYS A 422 -1.868 4.969 -0.911 1.00 0.00 C ATOM 505 C CYS A 422 -2.611 6.296 -1.054 1.00 0.00 C ATOM 506 O CYS A 422 -2.722 7.056 -0.093 1.00 0.00 O ATOM 507 CB CYS A 422 -2.465 4.168 0.248 1.00 0.00 C ATOM 508 SG CYS A 422 -4.212 3.753 0.037 1.00 0.00 S ATOM 0 H CYS A 422 -0.167 5.210 0.291 1.00 0.00 H new ATOM 0 HA CYS A 422 -1.982 4.406 -1.837 1.00 0.00 H new ATOM 0 HB2 CYS A 422 -1.896 3.246 0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 422 -2.347 4.739 1.169 1.00 0.00 H new ATOM 513 N PRO A 423 -3.140 6.598 -2.255 1.00 0.00 N ATOM 514 CA PRO A 423 -3.878 7.837 -2.503 1.00 0.00 C ATOM 515 C PRO A 423 -5.280 7.805 -1.901 1.00 0.00 C ATOM 516 O PRO A 423 -6.013 8.792 -1.959 1.00 0.00 O ATOM 517 CB PRO A 423 -3.959 7.925 -4.037 1.00 0.00 C ATOM 518 CG PRO A 423 -3.134 6.791 -4.562 1.00 0.00 C ATOM 519 CD PRO A 423 -3.068 5.770 -3.464 1.00 0.00 C ATOM 0 HA PRO A 423 -3.384 8.694 -2.045 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.991 7.846 -4.378 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.578 8.882 -4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.584 6.367 -5.460 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -2.135 7.132 -4.836 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.894 5.061 -3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -2.146 5.190 -3.504 1.00 0.00 H new ATOM 527 N ILE A 424 -5.648 6.664 -1.327 1.00 0.00 N ATOM 528 CA ILE A 424 -6.960 6.500 -0.720 1.00 0.00 C ATOM 529 C ILE A 424 -6.912 6.765 0.783 1.00 0.00 C ATOM 530 O ILE A 424 -7.896 7.206 1.377 1.00 0.00 O ATOM 531 CB ILE A 424 -7.505 5.079 -0.972 1.00 0.00 C ATOM 532 CG1 ILE A 424 -7.740 4.854 -2.468 1.00 0.00 C ATOM 533 CG2 ILE A 424 -8.788 4.849 -0.187 1.00 0.00 C ATOM 534 CD1 ILE A 424 -7.057 3.616 -3.007 1.00 0.00 C ATOM 0 H ILE A 424 -5.052 5.838 -1.271 1.00 0.00 H new ATOM 0 HA ILE A 424 -7.625 7.228 -1.183 1.00 0.00 H new ATOM 0 HB ILE A 424 -6.762 4.360 -0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 424 -8.812 4.777 -2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 424 -7.384 5.725 -3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 424 -9.156 3.841 -0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 424 -8.589 4.966 0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 424 -9.540 5.575 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 424 -7.267 3.519 -4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 424 -5.981 3.699 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 424 -7.431 2.737 -2.483 1.00 0.00 H new ATOM 546 N CYS A 425 -5.767 6.481 1.396 1.00 0.00 N ATOM 547 CA CYS A 425 -5.601 6.678 2.832 1.00 0.00 C ATOM 548 C CYS A 425 -4.422 7.601 3.146 1.00 0.00 C ATOM 549 O CYS A 425 -4.253 8.035 4.285 1.00 0.00 O ATOM 550 CB CYS A 425 -5.412 5.326 3.521 1.00 0.00 C ATOM 551 SG CYS A 425 -6.714 4.134 3.139 1.00 0.00 S ATOM 0 H CYS A 425 -4.942 6.114 0.922 1.00 0.00 H new ATOM 0 HA CYS A 425 -6.503 7.159 3.212 1.00 0.00 H new ATOM 0 HB2 CYS A 425 -4.450 4.908 3.225 1.00 0.00 H new ATOM 0 HB3 CYS A 425 -5.375 5.479 4.600 1.00 0.00 H new ATOM 556 N ASP A 426 -3.611 7.900 2.133 1.00 0.00 N ATOM 557 CA ASP A 426 -2.454 8.775 2.309 1.00 0.00 C ATOM 558 C ASP A 426 -1.402 8.121 3.200 1.00 0.00 C ATOM 559 O ASP A 426 -0.762 8.788 4.013 1.00 0.00 O ATOM 560 CB ASP A 426 -2.885 10.116 2.907 1.00 0.00 C ATOM 561 CG ASP A 426 -2.178 11.291 2.259 1.00 0.00 C ATOM 562 OD1 ASP A 426 -2.285 11.442 1.024 1.00 0.00 O ATOM 563 OD2 ASP A 426 -1.517 12.061 2.988 1.00 0.00 O ATOM 0 H ASP A 426 -3.734 7.550 1.183 1.00 0.00 H new ATOM 0 HA ASP A 426 -2.013 8.949 1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -3.962 10.234 2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -2.679 10.117 3.977 1.00 0.00 H new ATOM 568 N LYS A 427 -1.225 6.813 3.038 1.00 0.00 N ATOM 569 CA LYS A 427 -0.247 6.071 3.825 1.00 0.00 C ATOM 570 C LYS A 427 0.861 5.519 2.933 1.00 0.00 C ATOM 571 O LYS A 427 0.597 4.997 1.850 1.00 0.00 O ATOM 572 CB LYS A 427 -0.929 4.927 4.579 1.00 0.00 C ATOM 573 CG LYS A 427 -2.041 5.389 5.507 1.00 0.00 C ATOM 574 CD LYS A 427 -1.947 4.722 6.870 1.00 0.00 C ATOM 575 CE LYS A 427 -0.885 5.377 7.741 1.00 0.00 C ATOM 576 NZ LYS A 427 0.353 4.553 7.821 1.00 0.00 N ATOM 0 H LYS A 427 -1.746 6.246 2.369 1.00 0.00 H new ATOM 0 HA LYS A 427 0.198 6.756 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 427 -1.339 4.221 3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 427 -0.181 4.389 5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 427 -1.989 6.471 5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 427 -3.008 5.164 5.057 1.00 0.00 H new ATOM 0 HD2 LYS A 427 -2.914 4.777 7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 427 -1.714 3.665 6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 427 -0.641 6.360 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 427 -1.283 5.533 8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 0.896 4.823 8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 0.097 3.547 7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 0.932 4.713 6.972 1.00 0.00 H new ATOM 590 N ILE A 428 2.101 5.637 3.397 1.00 0.00 N ATOM 591 CA ILE A 428 3.246 5.147 2.641 1.00 0.00 C ATOM 592 C ILE A 428 3.678 3.771 3.134 1.00 0.00 C ATOM 593 O ILE A 428 3.660 3.499 4.334 1.00 0.00 O ATOM 594 CB ILE A 428 4.440 6.117 2.739 1.00 0.00 C ATOM 595 CG1 ILE A 428 3.988 7.549 2.448 1.00 0.00 C ATOM 596 CG2 ILE A 428 5.545 5.699 1.779 1.00 0.00 C ATOM 597 CD1 ILE A 428 5.098 8.570 2.580 1.00 0.00 C ATOM 0 H ILE A 428 2.337 6.067 4.291 1.00 0.00 H new ATOM 0 HA ILE A 428 2.933 5.075 1.599 1.00 0.00 H new ATOM 0 HB ILE A 428 4.835 6.080 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 428 3.581 7.595 1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 428 3.180 7.812 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 428 6.380 6.394 1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 428 5.884 4.694 2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 428 5.163 5.709 0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 428 4.707 9.563 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 428 5.490 8.552 3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 428 5.897 8.331 1.879 1.00 0.00 H new ATOM 609 N PHE A 429 4.059 2.903 2.202 1.00 0.00 N ATOM 610 CA PHE A 429 4.487 1.554 2.547 1.00 0.00 C ATOM 611 C PHE A 429 5.831 1.211 1.899 1.00 0.00 C ATOM 612 O PHE A 429 5.973 1.279 0.679 1.00 0.00 O ATOM 613 CB PHE A 429 3.433 0.537 2.106 1.00 0.00 C ATOM 614 CG PHE A 429 2.071 0.778 2.696 1.00 0.00 C ATOM 615 CD1 PHE A 429 1.792 0.402 3.999 1.00 0.00 C ATOM 616 CD2 PHE A 429 1.071 1.376 1.945 1.00 0.00 C ATOM 617 CE1 PHE A 429 0.540 0.618 4.544 1.00 0.00 C ATOM 618 CE2 PHE A 429 -0.182 1.595 2.484 1.00 0.00 C ATOM 619 CZ PHE A 429 -0.447 1.216 3.786 1.00 0.00 C ATOM 0 H PHE A 429 4.080 3.110 1.204 1.00 0.00 H new ATOM 0 HA PHE A 429 4.607 1.512 3.630 1.00 0.00 H new ATOM 0 HB2 PHE A 429 3.356 0.556 1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 429 3.767 -0.462 2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 429 2.561 -0.065 4.596 1.00 0.00 H new ATOM 0 HD2 PHE A 429 1.274 1.674 0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 429 0.334 0.319 5.561 1.00 0.00 H new ATOM 0 HE2 PHE A 429 -0.953 2.062 1.889 1.00 0.00 H new ATOM 0 HZ PHE A 429 -1.425 1.387 4.210 1.00 0.00 H new ATOM 629 N PRO A 430 6.834 0.822 2.710 1.00 0.00 N ATOM 630 CA PRO A 430 8.163 0.451 2.208 1.00 0.00 C ATOM 631 C PRO A 430 8.112 -0.819 1.365 1.00 0.00 C ATOM 632 O PRO A 430 7.174 -1.608 1.478 1.00 0.00 O ATOM 633 CB PRO A 430 8.983 0.221 3.481 1.00 0.00 C ATOM 634 CG PRO A 430 7.976 -0.097 4.530 1.00 0.00 C ATOM 635 CD PRO A 430 6.749 0.696 4.177 1.00 0.00 C ATOM 0 HA PRO A 430 8.586 1.217 1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 430 9.692 -0.597 3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 430 9.562 1.106 3.744 1.00 0.00 H new ATOM 0 HG2 PRO A 430 7.758 -1.165 4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 430 8.344 0.173 5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 430 5.837 0.184 4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 430 6.747 1.671 4.665 1.00 0.00 H new ATOM 643 N ALA A 431 9.113 -1.012 0.510 1.00 0.00 N ATOM 644 CA ALA A 431 9.155 -2.186 -0.358 1.00 0.00 C ATOM 645 C ALA A 431 9.007 -3.471 0.449 1.00 0.00 C ATOM 646 O ALA A 431 8.411 -4.441 -0.018 1.00 0.00 O ATOM 647 CB ALA A 431 10.450 -2.215 -1.155 1.00 0.00 C ATOM 0 H ALA A 431 9.902 -0.375 0.400 1.00 0.00 H new ATOM 0 HA ALA A 431 8.316 -2.119 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 431 10.463 -3.097 -1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 431 10.519 -1.318 -1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 431 11.298 -2.251 -0.471 1.00 0.00 H new ATOM 653 N THR A 432 9.531 -3.467 1.669 1.00 0.00 N ATOM 654 CA THR A 432 9.429 -4.631 2.539 1.00 0.00 C ATOM 655 C THR A 432 7.981 -4.831 2.965 1.00 0.00 C ATOM 656 O THR A 432 7.560 -5.946 3.274 1.00 0.00 O ATOM 657 CB THR A 432 10.323 -4.464 3.769 1.00 0.00 C ATOM 658 OG1 THR A 432 10.548 -3.092 4.044 1.00 0.00 O ATOM 659 CG2 THR A 432 11.673 -5.130 3.621 1.00 0.00 C ATOM 0 H THR A 432 10.028 -2.675 2.076 1.00 0.00 H new ATOM 0 HA THR A 432 9.765 -5.510 1.988 1.00 0.00 H new ATOM 0 HB THR A 432 9.785 -4.946 4.585 1.00 0.00 H new ATOM 0 HG1 THR A 432 11.120 -3.006 4.835 1.00 0.00 H new ATOM 0 HG21 THR A 432 12.257 -4.974 4.528 1.00 0.00 H new ATOM 0 HG22 THR A 432 11.535 -6.199 3.458 1.00 0.00 H new ATOM 0 HG23 THR A 432 12.201 -4.698 2.771 1.00 0.00 H new ATOM 667 N GLU A 433 7.219 -3.741 2.960 1.00 0.00 N ATOM 668 CA GLU A 433 5.814 -3.790 3.328 1.00 0.00 C ATOM 669 C GLU A 433 4.937 -3.917 2.086 1.00 0.00 C ATOM 670 O GLU A 433 3.736 -3.654 2.137 1.00 0.00 O ATOM 671 CB GLU A 433 5.426 -2.540 4.120 1.00 0.00 C ATOM 672 CG GLU A 433 5.724 -2.646 5.607 1.00 0.00 C ATOM 673 CD GLU A 433 4.781 -1.810 6.450 1.00 0.00 C ATOM 674 OE1 GLU A 433 4.210 -0.837 5.915 1.00 0.00 O ATOM 675 OE2 GLU A 433 4.612 -2.131 7.645 1.00 0.00 O ATOM 0 H GLU A 433 7.555 -2.813 2.704 1.00 0.00 H new ATOM 0 HA GLU A 433 5.656 -4.667 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 433 5.958 -1.681 3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 433 4.361 -2.349 3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 433 5.653 -3.689 5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 433 6.750 -2.328 5.792 1.00 0.00 H new ATOM 682 N LYS A 434 5.542 -4.329 0.971 1.00 0.00 N ATOM 683 CA LYS A 434 4.808 -4.497 -0.276 1.00 0.00 C ATOM 684 C LYS A 434 3.649 -5.463 -0.079 1.00 0.00 C ATOM 685 O LYS A 434 2.575 -5.292 -0.656 1.00 0.00 O ATOM 686 CB LYS A 434 5.737 -5.010 -1.377 1.00 0.00 C ATOM 687 CG LYS A 434 5.057 -5.160 -2.727 1.00 0.00 C ATOM 688 CD LYS A 434 6.071 -5.325 -3.848 1.00 0.00 C ATOM 689 CE LYS A 434 5.668 -6.434 -4.808 1.00 0.00 C ATOM 690 NZ LYS A 434 5.632 -7.762 -4.137 1.00 0.00 N ATOM 0 H LYS A 434 6.536 -4.551 0.910 1.00 0.00 H new ATOM 0 HA LYS A 434 4.411 -3.527 -0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 434 6.579 -4.325 -1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 434 6.145 -5.975 -1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 434 4.392 -6.024 -2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 434 4.437 -4.285 -2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 434 6.166 -4.387 -4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 434 7.050 -5.548 -3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 434 4.687 -6.212 -5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 434 6.371 -6.467 -5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 5.827 -8.509 -4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 6.352 -7.792 -3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 4.692 -7.915 -3.720 1.00 0.00 H new ATOM 704 N GLN A 435 3.871 -6.474 0.755 1.00 0.00 N ATOM 705 CA GLN A 435 2.841 -7.462 1.046 1.00 0.00 C ATOM 706 C GLN A 435 1.669 -6.793 1.754 1.00 0.00 C ATOM 707 O GLN A 435 0.510 -6.944 1.355 1.00 0.00 O ATOM 708 CB GLN A 435 3.409 -8.587 1.918 1.00 0.00 C ATOM 709 CG GLN A 435 4.858 -8.938 1.608 1.00 0.00 C ATOM 710 CD GLN A 435 5.263 -10.289 2.165 1.00 0.00 C ATOM 711 OE1 GLN A 435 6.242 -10.401 2.903 1.00 0.00 O ATOM 712 NE2 GLN A 435 4.509 -11.324 1.814 1.00 0.00 N ATOM 0 H GLN A 435 4.755 -6.630 1.240 1.00 0.00 H new ATOM 0 HA GLN A 435 2.493 -7.893 0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 435 3.333 -8.295 2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 435 2.794 -9.478 1.790 1.00 0.00 H new ATOM 0 HG2 GLN A 435 5.005 -8.935 0.528 1.00 0.00 H new ATOM 0 HG3 GLN A 435 5.511 -8.169 2.021 1.00 0.00 H new ATOM 0 HE21 GLN A 435 3.706 -11.185 1.200 1.00 0.00 H new ATOM 0 HE22 GLN A 435 4.732 -12.258 2.158 1.00 0.00 H new ATOM 721 N ILE A 436 1.985 -6.027 2.794 1.00 0.00 N ATOM 722 CA ILE A 436 0.971 -5.308 3.549 1.00 0.00 C ATOM 723 C ILE A 436 0.367 -4.209 2.689 1.00 0.00 C ATOM 724 O ILE A 436 -0.820 -3.902 2.795 1.00 0.00 O ATOM 725 CB ILE A 436 1.553 -4.683 4.833 1.00 0.00 C ATOM 726 CG1 ILE A 436 2.306 -5.738 5.645 1.00 0.00 C ATOM 727 CG2 ILE A 436 0.445 -4.057 5.666 1.00 0.00 C ATOM 728 CD1 ILE A 436 3.598 -5.227 6.247 1.00 0.00 C ATOM 0 H ILE A 436 2.938 -5.890 3.131 1.00 0.00 H new ATOM 0 HA ILE A 436 0.203 -6.027 3.835 1.00 0.00 H new ATOM 0 HB ILE A 436 2.256 -3.899 4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 436 1.660 -6.099 6.445 1.00 0.00 H new ATOM 0 HG13 ILE A 436 2.526 -6.591 5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 436 0.871 -3.620 6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 436 -0.051 -3.279 5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 436 -0.280 -4.823 5.941 1.00 0.00 H new ATOM 0 HD11 ILE A 436 4.079 -6.027 6.809 1.00 0.00 H new ATOM 0 HD12 ILE A 436 4.263 -4.892 5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 436 3.383 -4.393 6.915 1.00 0.00 H new ATOM 740 N PHE A 437 1.195 -3.628 1.827 1.00 0.00 N ATOM 741 CA PHE A 437 0.749 -2.571 0.934 1.00 0.00 C ATOM 742 C PHE A 437 -0.278 -3.116 -0.052 1.00 0.00 C ATOM 743 O PHE A 437 -1.336 -2.522 -0.253 1.00 0.00 O ATOM 744 CB PHE A 437 1.939 -1.974 0.178 1.00 0.00 C ATOM 745 CG PHE A 437 1.534 -1.091 -0.968 1.00 0.00 C ATOM 746 CD1 PHE A 437 0.562 -0.120 -0.794 1.00 0.00 C ATOM 747 CD2 PHE A 437 2.112 -1.242 -2.217 1.00 0.00 C ATOM 748 CE1 PHE A 437 0.175 0.686 -1.843 1.00 0.00 C ATOM 749 CE2 PHE A 437 1.729 -0.436 -3.273 1.00 0.00 C ATOM 750 CZ PHE A 437 0.756 0.528 -3.083 1.00 0.00 C ATOM 0 H PHE A 437 2.180 -3.874 1.730 1.00 0.00 H new ATOM 0 HA PHE A 437 0.285 -1.785 1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 437 2.550 -1.398 0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 437 2.564 -2.784 -0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 437 0.102 0.007 0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 437 2.870 -1.997 -2.368 1.00 0.00 H new ATOM 0 HE1 PHE A 437 -0.583 1.441 -1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 437 2.188 -0.559 -4.243 1.00 0.00 H new ATOM 0 HZ PHE A 437 0.451 1.157 -3.906 1.00 0.00 H new ATOM 760 N GLU A 438 0.040 -4.258 -0.656 1.00 0.00 N ATOM 761 CA GLU A 438 -0.862 -4.887 -1.611 1.00 0.00 C ATOM 762 C GLU A 438 -2.195 -5.190 -0.945 1.00 0.00 C ATOM 763 O GLU A 438 -3.260 -4.926 -1.505 1.00 0.00 O ATOM 764 CB GLU A 438 -0.245 -6.175 -2.162 1.00 0.00 C ATOM 765 CG GLU A 438 0.656 -5.953 -3.365 1.00 0.00 C ATOM 766 CD GLU A 438 -0.124 -5.626 -4.624 1.00 0.00 C ATOM 767 OE1 GLU A 438 -0.797 -4.574 -4.649 1.00 0.00 O ATOM 768 OE2 GLU A 438 -0.062 -6.422 -5.584 1.00 0.00 O ATOM 0 H GLU A 438 0.912 -4.763 -0.501 1.00 0.00 H new ATOM 0 HA GLU A 438 -1.027 -4.199 -2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 438 0.330 -6.659 -1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 438 -1.045 -6.861 -2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 438 1.350 -5.140 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 438 1.256 -6.847 -3.535 1.00 0.00 H new ATOM 775 N ASP A 439 -2.128 -5.727 0.269 1.00 0.00 N ATOM 776 CA ASP A 439 -3.331 -6.044 1.025 1.00 0.00 C ATOM 777 C ASP A 439 -4.058 -4.760 1.412 1.00 0.00 C ATOM 778 O ASP A 439 -5.288 -4.707 1.425 1.00 0.00 O ATOM 779 CB ASP A 439 -2.980 -6.847 2.278 1.00 0.00 C ATOM 780 CG ASP A 439 -4.209 -7.253 3.066 1.00 0.00 C ATOM 781 OD1 ASP A 439 -5.272 -7.464 2.444 1.00 0.00 O ATOM 782 OD2 ASP A 439 -4.110 -7.360 4.307 1.00 0.00 O ATOM 0 H ASP A 439 -1.256 -5.951 0.748 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.987 -6.649 0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.425 -7.740 1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -2.323 -6.254 2.914 1.00 0.00 H new ATOM 787 N HIS A 440 -3.282 -3.726 1.726 1.00 0.00 N ATOM 788 CA HIS A 440 -3.839 -2.437 2.115 1.00 0.00 C ATOM 789 C HIS A 440 -4.626 -1.813 0.967 1.00 0.00 C ATOM 790 O HIS A 440 -5.755 -1.359 1.155 1.00 0.00 O ATOM 791 CB HIS A 440 -2.719 -1.494 2.556 1.00 0.00 C ATOM 792 CG HIS A 440 -3.205 -0.156 3.015 1.00 0.00 C ATOM 793 ND1 HIS A 440 -3.797 0.069 4.237 1.00 0.00 N ATOM 794 CD2 HIS A 440 -3.169 1.049 2.390 1.00 0.00 C ATOM 795 CE1 HIS A 440 -4.096 1.373 4.316 1.00 0.00 C ATOM 796 NE2 HIS A 440 -3.733 2.012 3.221 1.00 0.00 N ATOM 0 H HIS A 440 -2.263 -3.758 1.718 1.00 0.00 H new ATOM 0 HA HIS A 440 -4.522 -2.598 2.949 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.158 -1.964 3.364 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -2.026 -1.354 1.726 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -3.976 -0.633 4.955 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.767 1.231 1.404 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -4.572 1.840 5.166 1.00 0.00 H new ATOM 804 N VAL A 441 -4.033 -1.801 -0.224 1.00 0.00 N ATOM 805 CA VAL A 441 -4.699 -1.239 -1.394 1.00 0.00 C ATOM 806 C VAL A 441 -5.906 -2.086 -1.776 1.00 0.00 C ATOM 807 O VAL A 441 -6.910 -1.569 -2.267 1.00 0.00 O ATOM 808 CB VAL A 441 -3.754 -1.143 -2.611 1.00 0.00 C ATOM 809 CG1 VAL A 441 -4.255 -0.091 -3.588 1.00 0.00 C ATOM 810 CG2 VAL A 441 -2.331 -0.827 -2.176 1.00 0.00 C ATOM 0 H VAL A 441 -3.100 -2.171 -0.403 1.00 0.00 H new ATOM 0 HA VAL A 441 -5.015 -0.232 -1.122 1.00 0.00 H new ATOM 0 HB VAL A 441 -3.747 -2.112 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -3.578 -0.035 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -5.253 -0.361 -3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -4.293 0.878 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.687 -0.765 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.315 0.126 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -1.969 -1.615 -1.515 1.00 0.00 H new ATOM 820 N PHE A 442 -5.800 -3.391 -1.544 1.00 0.00 N ATOM 821 CA PHE A 442 -6.881 -4.316 -1.860 1.00 0.00 C ATOM 822 C PHE A 442 -8.122 -4.011 -1.028 1.00 0.00 C ATOM 823 O PHE A 442 -9.239 -3.994 -1.545 1.00 0.00 O ATOM 824 CB PHE A 442 -6.432 -5.759 -1.619 1.00 0.00 C ATOM 825 CG PHE A 442 -5.932 -6.447 -2.858 1.00 0.00 C ATOM 826 CD1 PHE A 442 -5.005 -5.830 -3.682 1.00 0.00 C ATOM 827 CD2 PHE A 442 -6.391 -7.710 -3.198 1.00 0.00 C ATOM 828 CE1 PHE A 442 -4.544 -6.461 -4.822 1.00 0.00 C ATOM 829 CE2 PHE A 442 -5.934 -8.344 -4.337 1.00 0.00 C ATOM 830 CZ PHE A 442 -5.009 -7.719 -5.150 1.00 0.00 C ATOM 0 H PHE A 442 -4.975 -3.831 -1.138 1.00 0.00 H new ATOM 0 HA PHE A 442 -7.134 -4.192 -2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 442 -5.643 -5.765 -0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 442 -7.267 -6.327 -1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 442 -4.639 -4.846 -3.431 1.00 0.00 H new ATOM 0 HD2 PHE A 442 -7.114 -8.204 -2.565 1.00 0.00 H new ATOM 0 HE1 PHE A 442 -3.820 -5.970 -5.456 1.00 0.00 H new ATOM 0 HE2 PHE A 442 -6.300 -9.328 -4.592 1.00 0.00 H new ATOM 0 HZ PHE A 442 -4.650 -8.213 -6.041 1.00 0.00 H new ATOM 840 N CYS A 443 -7.920 -3.770 0.265 1.00 0.00 N ATOM 841 CA CYS A 443 -9.027 -3.465 1.168 1.00 0.00 C ATOM 842 C CYS A 443 -9.847 -2.290 0.647 1.00 0.00 C ATOM 843 O CYS A 443 -11.052 -2.206 0.883 1.00 0.00 O ATOM 844 CB CYS A 443 -8.496 -3.146 2.568 1.00 0.00 C ATOM 845 SG CYS A 443 -9.705 -3.394 3.889 1.00 0.00 S ATOM 0 H CYS A 443 -7.002 -3.780 0.710 1.00 0.00 H new ATOM 0 HA CYS A 443 -9.672 -4.342 1.220 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -7.625 -3.770 2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -8.158 -2.110 2.589 1.00 0.00 H new ATOM 0 HG CYS A 443 -9.163 -3.101 5.034 1.00 0.00 H new ATOM 851 N HIS A 444 -9.183 -1.386 -0.063 1.00 0.00 N ATOM 852 CA HIS A 444 -9.842 -0.213 -0.621 1.00 0.00 C ATOM 853 C HIS A 444 -10.602 -0.569 -1.896 1.00 0.00 C ATOM 854 O HIS A 444 -11.550 0.120 -2.276 1.00 0.00 O ATOM 855 CB HIS A 444 -8.811 0.879 -0.902 1.00 0.00 C ATOM 856 CG HIS A 444 -7.831 1.059 0.215 1.00 0.00 C ATOM 857 ND1 HIS A 444 -8.164 0.951 1.547 1.00 0.00 N ATOM 858 CD2 HIS A 444 -6.501 1.328 0.182 1.00 0.00 C ATOM 859 CE1 HIS A 444 -7.053 1.153 2.265 1.00 0.00 C ATOM 860 NE2 HIS A 444 -6.016 1.385 1.484 1.00 0.00 N ATOM 0 H HIS A 444 -8.185 -1.444 -0.266 1.00 0.00 H new ATOM 0 HA HIS A 444 -10.563 0.158 0.108 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -8.271 0.634 -1.816 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -9.328 1.822 -1.080 1.00 0.00 H new ATOM 0 HD1 HIS A 444 -9.092 0.752 1.920 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -5.913 1.474 -0.712 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -7.011 1.129 3.344 1.00 0.00 H new ATOM 868 N SER A 445 -10.184 -1.649 -2.549 1.00 0.00 N ATOM 869 CA SER A 445 -10.832 -2.097 -3.777 1.00 0.00 C ATOM 870 C SER A 445 -11.839 -3.211 -3.492 1.00 0.00 C ATOM 871 O SER A 445 -12.681 -3.525 -4.332 1.00 0.00 O ATOM 872 CB SER A 445 -9.785 -2.585 -4.780 1.00 0.00 C ATOM 873 OG SER A 445 -9.398 -1.546 -5.661 1.00 0.00 O ATOM 0 H SER A 445 -9.401 -2.229 -2.249 1.00 0.00 H new ATOM 0 HA SER A 445 -11.369 -1.250 -4.203 1.00 0.00 H new ATOM 0 HB2 SER A 445 -8.911 -2.957 -4.246 1.00 0.00 H new ATOM 0 HB3 SER A 445 -10.188 -3.420 -5.353 1.00 0.00 H new ATOM 0 HG SER A 445 -8.727 -1.884 -6.290 1.00 0.00 H new ATOM 879 N LEU A 446 -11.751 -3.801 -2.302 1.00 0.00 N ATOM 880 CA LEU A 446 -12.658 -4.873 -1.910 1.00 0.00 C ATOM 881 C LEU A 446 -12.830 -4.915 -0.395 1.00 0.00 C ATOM 882 O LEU A 446 -13.798 -4.307 0.106 1.00 0.00 O ATOM 883 CB LEU A 446 -12.140 -6.224 -2.412 1.00 0.00 C ATOM 884 CG LEU A 446 -10.643 -6.462 -2.214 1.00 0.00 C ATOM 885 CD1 LEU A 446 -10.366 -7.936 -1.963 1.00 0.00 C ATOM 886 CD2 LEU A 446 -9.860 -5.969 -3.422 1.00 0.00 C ATOM 887 OXT LEU A 446 -11.993 -5.555 0.277 1.00 0.00 O ATOM 0 H LEU A 446 -11.060 -3.554 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 446 -13.629 -4.673 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 446 -12.688 -7.017 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 446 -12.368 -6.310 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 446 -10.317 -5.898 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 446 -9.295 -8.087 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 446 -10.897 -8.259 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 446 -10.707 -8.521 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 446 -8.796 -6.147 -3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 446 -10.189 -6.505 -4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 446 -10.033 -4.901 -3.557 1.00 0.00 H new TER 899 LEU A 446 HETATM 900 ZN ZN A 447 -5.046 3.055 2.116 1.00 0.00 ZN