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 Set 1.1: A 400 CYS SG : rot 35:sc= 0.436 USER MOD Set 1.2: A 408 HIS : no HE2:sc= -5.84 K(o=-8.1,f=-9.3!) USER MOD Set 1.3: A 412 GLN :FLIP amide:sc= -2.67 F(o=-8.8,f=-8.1) USER MOD Single : A 390 SER OG : rot 32:sc= 0.00349 USER MOD Single : A 393 SER OG : rot 68:sc= 0.0178 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 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 CYS SG : rot 31:sc= 0.139 USER MOD Single : A 409 THR OG1 : rot -62:sc= 0.833 USER MOD Single : A 413 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 414 GLN : amide:sc= -0.0312 X(o=-0.031,f=-0.031) 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=-0.037) USER MOD Single : A 419 CYS SG : rot 180:sc= -1.15 USER MOD Single : A 421 ASN : amide:sc= -0.0779 X(o=-0.078,f=0) USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 434 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 445 SER OG : rot 15:sc= 0.404 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 390 -1.453 15.021 -31.675 1.00 0.00 N ATOM 2 CA SER A 390 -1.160 14.767 -30.241 1.00 0.00 C ATOM 3 C SER A 390 -1.110 16.071 -29.447 1.00 0.00 C ATOM 4 O SER A 390 -0.081 16.747 -29.416 1.00 0.00 O ATOM 5 CB SER A 390 0.181 14.036 -30.139 1.00 0.00 C ATOM 6 OG SER A 390 0.079 12.713 -30.633 1.00 0.00 O ATOM 0 HA SER A 390 -1.956 14.155 -29.817 1.00 0.00 H new ATOM 0 HB2 SER A 390 0.939 14.580 -30.702 1.00 0.00 H new ATOM 0 HB3 SER A 390 0.509 14.015 -29.100 1.00 0.00 H new ATOM 0 HG SER A 390 -0.585 12.683 -31.353 1.00 0.00 H new ATOM 14 N PRO A 391 -2.225 16.446 -28.794 1.00 0.00 N ATOM 15 CA PRO A 391 -2.296 17.679 -28.001 1.00 0.00 C ATOM 16 C PRO A 391 -1.406 17.622 -26.764 1.00 0.00 C ATOM 17 O PRO A 391 -0.960 18.654 -26.261 1.00 0.00 O ATOM 18 CB PRO A 391 -3.771 17.763 -27.596 1.00 0.00 C ATOM 19 CG PRO A 391 -4.266 16.360 -27.661 1.00 0.00 C ATOM 20 CD PRO A 391 -3.499 15.703 -28.776 1.00 0.00 C ATOM 0 HA PRO A 391 -1.948 18.545 -28.564 1.00 0.00 H new ATOM 0 HB2 PRO A 391 -3.883 18.175 -26.593 1.00 0.00 H new ATOM 0 HB3 PRO A 391 -4.330 18.411 -28.271 1.00 0.00 H new ATOM 0 HG2 PRO A 391 -4.100 15.843 -26.716 1.00 0.00 H new ATOM 0 HG3 PRO A 391 -5.338 16.333 -27.856 1.00 0.00 H new ATOM 0 HD2 PRO A 391 -3.343 14.641 -28.586 1.00 0.00 H new ATOM 0 HD3 PRO A 391 -4.025 15.783 -29.728 1.00 0.00 H new ATOM 28 N LEU A 392 -1.150 16.412 -26.279 1.00 0.00 N ATOM 29 CA LEU A 392 -0.312 16.222 -25.102 1.00 0.00 C ATOM 30 C LEU A 392 0.319 14.835 -25.101 1.00 0.00 C ATOM 31 O LEU A 392 1.516 14.684 -24.861 1.00 0.00 O ATOM 32 CB LEU A 392 -1.131 16.424 -23.826 1.00 0.00 C ATOM 33 CG LEU A 392 -0.378 17.084 -22.670 1.00 0.00 C ATOM 34 CD1 LEU A 392 -0.494 18.598 -22.753 1.00 0.00 C ATOM 35 CD2 LEU A 392 -0.905 16.580 -21.334 1.00 0.00 C ATOM 0 H LEU A 392 -1.511 15.548 -26.683 1.00 0.00 H new ATOM 0 HA LEU A 392 0.486 16.964 -25.133 1.00 0.00 H new ATOM 0 HB2 LEU A 392 -2.003 17.032 -24.065 1.00 0.00 H new ATOM 0 HB3 LEU A 392 -1.500 15.454 -23.492 1.00 0.00 H new ATOM 0 HG LEU A 392 0.676 16.816 -22.748 1.00 0.00 H new ATOM 0 HD11 LEU A 392 0.048 19.050 -21.922 1.00 0.00 H new ATOM 0 HD12 LEU A 392 -0.069 18.944 -23.695 1.00 0.00 H new ATOM 0 HD13 LEU A 392 -1.544 18.886 -22.701 1.00 0.00 H new ATOM 0 HD21 LEU A 392 -0.358 17.060 -20.523 1.00 0.00 H new ATOM 0 HD22 LEU A 392 -1.965 16.818 -21.248 1.00 0.00 H new ATOM 0 HD23 LEU A 392 -0.770 15.500 -21.274 1.00 0.00 H new ATOM 47 N SER A 393 -0.499 13.826 -25.375 1.00 0.00 N ATOM 48 CA SER A 393 -0.028 12.446 -25.408 1.00 0.00 C ATOM 49 C SER A 393 -1.156 11.496 -25.794 1.00 0.00 C ATOM 50 O SER A 393 -2.189 11.438 -25.127 1.00 0.00 O ATOM 51 CB SER A 393 0.547 12.046 -24.048 1.00 0.00 C ATOM 52 OG SER A 393 1.033 10.715 -24.072 1.00 0.00 O ATOM 0 H SER A 393 -1.492 13.937 -25.578 1.00 0.00 H new ATOM 0 HA SER A 393 0.757 12.376 -26.161 1.00 0.00 H new ATOM 0 HB2 SER A 393 1.354 12.726 -23.776 1.00 0.00 H new ATOM 0 HB3 SER A 393 -0.222 12.142 -23.282 1.00 0.00 H new ATOM 0 HG SER A 393 1.817 10.664 -24.657 1.00 0.00 H new ATOM 58 N ILE A 394 -0.951 10.751 -26.875 1.00 0.00 N ATOM 59 CA ILE A 394 -1.950 9.802 -27.350 1.00 0.00 C ATOM 60 C ILE A 394 -1.738 8.426 -26.722 1.00 0.00 C ATOM 61 O ILE A 394 -1.616 7.421 -27.423 1.00 0.00 O ATOM 62 CB ILE A 394 -1.914 9.675 -28.887 1.00 0.00 C ATOM 63 CG1 ILE A 394 -3.051 8.777 -29.377 1.00 0.00 C ATOM 64 CG2 ILE A 394 -0.568 9.135 -29.346 1.00 0.00 C ATOM 65 CD1 ILE A 394 -3.546 9.131 -30.763 1.00 0.00 C ATOM 0 H ILE A 394 -0.102 10.786 -27.439 1.00 0.00 H new ATOM 0 HA ILE A 394 -2.926 10.184 -27.051 1.00 0.00 H new ATOM 0 HB ILE A 394 -2.050 10.667 -29.319 1.00 0.00 H new ATOM 0 HG12 ILE A 394 -2.712 7.741 -29.375 1.00 0.00 H new ATOM 0 HG13 ILE A 394 -3.883 8.842 -28.675 1.00 0.00 H new ATOM 0 HG21 ILE A 394 -0.561 9.052 -30.433 1.00 0.00 H new ATOM 0 HG22 ILE A 394 0.224 9.814 -29.029 1.00 0.00 H new ATOM 0 HG23 ILE A 394 -0.401 8.152 -28.906 1.00 0.00 H new ATOM 0 HD11 ILE A 394 -4.352 8.454 -31.046 1.00 0.00 H new ATOM 0 HD12 ILE A 394 -3.916 10.156 -30.766 1.00 0.00 H new ATOM 0 HD13 ILE A 394 -2.727 9.038 -31.476 1.00 0.00 H new ATOM 77 N LYS A 395 -1.695 8.391 -25.393 1.00 0.00 N ATOM 78 CA LYS A 395 -1.496 7.143 -24.664 1.00 0.00 C ATOM 79 C LYS A 395 -0.133 6.529 -24.977 1.00 0.00 C ATOM 80 O LYS A 395 0.099 5.348 -24.718 1.00 0.00 O ATOM 81 CB LYS A 395 -2.607 6.146 -25.004 1.00 0.00 C ATOM 82 CG LYS A 395 -2.747 5.023 -23.988 1.00 0.00 C ATOM 83 CD LYS A 395 -3.877 5.296 -23.007 1.00 0.00 C ATOM 84 CE LYS A 395 -5.150 4.567 -23.409 1.00 0.00 C ATOM 85 NZ LYS A 395 -6.354 5.157 -22.762 1.00 0.00 N ATOM 0 H LYS A 395 -1.795 9.214 -24.799 1.00 0.00 H new ATOM 0 HA LYS A 395 -1.531 7.370 -23.599 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -3.554 6.680 -25.076 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -2.409 5.715 -25.985 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -2.934 4.083 -24.507 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -1.811 4.906 -23.442 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -3.577 4.982 -22.007 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -4.069 6.368 -22.960 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -5.264 4.606 -24.492 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -5.069 3.515 -23.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -7.201 4.633 -23.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -6.257 5.097 -21.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -6.446 6.154 -23.044 1.00 0.00 H new ATOM 99 N LYS A 396 0.769 7.335 -25.534 1.00 0.00 N ATOM 100 CA LYS A 396 2.108 6.865 -25.874 1.00 0.00 C ATOM 101 C LYS A 396 3.169 7.630 -25.091 1.00 0.00 C ATOM 102 O LYS A 396 3.219 8.860 -25.135 1.00 0.00 O ATOM 103 CB LYS A 396 2.357 7.010 -27.378 1.00 0.00 C ATOM 104 CG LYS A 396 2.406 8.454 -27.853 1.00 0.00 C ATOM 105 CD LYS A 396 3.835 8.957 -27.968 1.00 0.00 C ATOM 106 CE LYS A 396 4.450 8.589 -29.310 1.00 0.00 C ATOM 107 NZ LYS A 396 5.170 9.738 -29.925 1.00 0.00 N ATOM 0 H LYS A 396 0.596 8.315 -25.759 1.00 0.00 H new ATOM 0 HA LYS A 396 2.176 5.811 -25.604 1.00 0.00 H new ATOM 0 HB2 LYS A 396 3.298 6.522 -27.630 1.00 0.00 H new ATOM 0 HB3 LYS A 396 1.570 6.485 -27.920 1.00 0.00 H new ATOM 0 HG2 LYS A 396 1.912 8.536 -28.821 1.00 0.00 H new ATOM 0 HG3 LYS A 396 1.852 9.085 -27.158 1.00 0.00 H new ATOM 0 HD2 LYS A 396 3.852 10.040 -27.844 1.00 0.00 H new ATOM 0 HD3 LYS A 396 4.436 8.534 -27.163 1.00 0.00 H new ATOM 0 HE2 LYS A 396 5.141 7.757 -29.176 1.00 0.00 H new ATOM 0 HE3 LYS A 396 3.667 8.247 -29.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 5.574 9.446 -30.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 4.505 10.523 -30.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 5.934 10.048 -29.291 1.00 0.00 H new ATOM 121 N CYS A 397 4.013 6.898 -24.374 1.00 0.00 N ATOM 122 CA CYS A 397 5.073 7.512 -23.581 1.00 0.00 C ATOM 123 C CYS A 397 6.418 7.401 -24.290 1.00 0.00 C ATOM 124 O CYS A 397 6.867 6.302 -24.614 1.00 0.00 O ATOM 125 CB CYS A 397 5.152 6.853 -22.202 1.00 0.00 C ATOM 126 SG CYS A 397 4.048 7.582 -20.971 1.00 0.00 S ATOM 0 H CYS A 397 3.985 5.880 -24.325 1.00 0.00 H new ATOM 0 HA CYS A 397 4.836 8.569 -23.458 1.00 0.00 H new ATOM 0 HB2 CYS A 397 4.916 5.794 -22.304 1.00 0.00 H new ATOM 0 HB3 CYS A 397 6.178 6.918 -21.838 1.00 0.00 H new ATOM 0 HG CYS A 397 4.186 6.956 -19.840 1.00 0.00 H new ATOM 132 N PRO A 398 7.085 8.543 -24.541 1.00 0.00 N ATOM 133 CA PRO A 398 8.383 8.555 -25.215 1.00 0.00 C ATOM 134 C PRO A 398 9.483 7.960 -24.347 1.00 0.00 C ATOM 135 O PRO A 398 9.605 8.285 -23.166 1.00 0.00 O ATOM 136 CB PRO A 398 8.645 10.041 -25.466 1.00 0.00 C ATOM 137 CG PRO A 398 7.852 10.748 -24.423 1.00 0.00 C ATOM 138 CD PRO A 398 6.631 9.902 -24.190 1.00 0.00 C ATOM 0 HA PRO A 398 8.376 7.954 -26.125 1.00 0.00 H new ATOM 0 HB2 PRO A 398 9.706 10.275 -25.383 1.00 0.00 H new ATOM 0 HB3 PRO A 398 8.332 10.334 -26.468 1.00 0.00 H new ATOM 0 HG2 PRO A 398 8.428 10.863 -23.505 1.00 0.00 H new ATOM 0 HG3 PRO A 398 7.576 11.749 -24.754 1.00 0.00 H new ATOM 0 HD2 PRO A 398 6.295 9.958 -23.155 1.00 0.00 H new ATOM 0 HD3 PRO A 398 5.796 10.221 -24.814 1.00 0.00 H new ATOM 146 N ILE A 399 10.283 7.088 -24.944 1.00 0.00 N ATOM 147 CA ILE A 399 11.380 6.441 -24.234 1.00 0.00 C ATOM 148 C ILE A 399 12.201 5.563 -25.174 1.00 0.00 C ATOM 149 O ILE A 399 13.429 5.530 -25.095 1.00 0.00 O ATOM 150 CB ILE A 399 10.863 5.584 -23.060 1.00 0.00 C ATOM 151 CG1 ILE A 399 12.034 5.003 -22.266 1.00 0.00 C ATOM 152 CG2 ILE A 399 9.957 4.472 -23.571 1.00 0.00 C ATOM 153 CD1 ILE A 399 11.632 4.447 -20.917 1.00 0.00 C ATOM 0 H ILE A 399 10.193 6.811 -25.922 1.00 0.00 H new ATOM 0 HA ILE A 399 12.014 7.235 -23.839 1.00 0.00 H new ATOM 0 HB ILE A 399 10.281 6.222 -22.395 1.00 0.00 H new ATOM 0 HG12 ILE A 399 12.502 4.212 -22.851 1.00 0.00 H new ATOM 0 HG13 ILE A 399 12.785 5.779 -22.121 1.00 0.00 H new ATOM 0 HG21 ILE A 399 9.601 3.877 -22.730 1.00 0.00 H new ATOM 0 HG22 ILE A 399 9.105 4.908 -24.093 1.00 0.00 H new ATOM 0 HG23 ILE A 399 10.515 3.834 -24.256 1.00 0.00 H new ATOM 0 HD11 ILE A 399 12.512 4.052 -20.409 1.00 0.00 H new ATOM 0 HD12 ILE A 399 11.191 5.240 -20.313 1.00 0.00 H new ATOM 0 HD13 ILE A 399 10.904 3.648 -21.055 1.00 0.00 H new ATOM 165 N CYS A 400 11.513 4.852 -26.062 1.00 0.00 N ATOM 166 CA CYS A 400 12.179 3.972 -27.016 1.00 0.00 C ATOM 167 C CYS A 400 11.289 3.705 -28.225 1.00 0.00 C ATOM 168 O CYS A 400 11.743 3.761 -29.367 1.00 0.00 O ATOM 169 CB CYS A 400 12.556 2.651 -26.344 1.00 0.00 C ATOM 170 SG CYS A 400 14.209 2.642 -25.609 1.00 0.00 S ATOM 0 H CYS A 400 10.496 4.868 -26.141 1.00 0.00 H new ATOM 0 HA CYS A 400 13.086 4.470 -27.359 1.00 0.00 H new ATOM 0 HB2 CYS A 400 11.824 2.429 -25.568 1.00 0.00 H new ATOM 0 HB3 CYS A 400 12.493 1.850 -27.081 1.00 0.00 H new ATOM 0 HG CYS A 400 14.481 3.823 -25.138 1.00 0.00 H new ATOM 176 N LYS A 401 10.019 3.414 -27.965 1.00 0.00 N ATOM 177 CA LYS A 401 9.064 3.137 -29.032 1.00 0.00 C ATOM 178 C LYS A 401 8.855 4.366 -29.913 1.00 0.00 C ATOM 179 O LYS A 401 8.554 4.246 -31.100 1.00 0.00 O ATOM 180 CB LYS A 401 7.727 2.682 -28.442 1.00 0.00 C ATOM 181 CG LYS A 401 7.130 1.476 -29.148 1.00 0.00 C ATOM 182 CD LYS A 401 6.270 0.646 -28.209 1.00 0.00 C ATOM 183 CE LYS A 401 6.956 -0.656 -27.825 1.00 0.00 C ATOM 184 NZ LYS A 401 7.726 -0.526 -26.558 1.00 0.00 N ATOM 0 H LYS A 401 9.627 3.364 -27.025 1.00 0.00 H new ATOM 0 HA LYS A 401 9.472 2.337 -29.651 1.00 0.00 H new ATOM 0 HB2 LYS A 401 7.867 2.443 -27.388 1.00 0.00 H new ATOM 0 HB3 LYS A 401 7.018 3.509 -28.490 1.00 0.00 H new ATOM 0 HG2 LYS A 401 6.528 1.810 -29.994 1.00 0.00 H new ATOM 0 HG3 LYS A 401 7.931 0.857 -29.551 1.00 0.00 H new ATOM 0 HD2 LYS A 401 6.052 1.222 -27.310 1.00 0.00 H new ATOM 0 HD3 LYS A 401 5.315 0.428 -28.687 1.00 0.00 H new ATOM 0 HE2 LYS A 401 6.208 -1.442 -27.716 1.00 0.00 H new ATOM 0 HE3 LYS A 401 7.627 -0.963 -28.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 8.178 -1.435 -26.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 8.457 0.206 -26.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 7.082 -0.258 -25.786 1.00 0.00 H new ATOM 198 N ALA A 402 9.016 5.547 -29.324 1.00 0.00 N ATOM 199 CA ALA A 402 8.844 6.795 -30.056 1.00 0.00 C ATOM 200 C ALA A 402 9.991 7.022 -31.035 1.00 0.00 C ATOM 201 O ALA A 402 9.792 7.547 -32.130 1.00 0.00 O ATOM 202 CB ALA A 402 8.734 7.965 -29.089 1.00 0.00 C ATOM 0 H ALA A 402 9.265 5.665 -28.342 1.00 0.00 H new ATOM 0 HA ALA A 402 7.920 6.724 -30.630 1.00 0.00 H new ATOM 0 HB1 ALA A 402 8.606 8.890 -29.651 1.00 0.00 H new ATOM 0 HB2 ALA A 402 7.876 7.816 -28.434 1.00 0.00 H new ATOM 0 HB3 ALA A 402 9.642 8.028 -28.489 1.00 0.00 H new ATOM 208 N ASP A 403 11.192 6.623 -30.632 1.00 0.00 N ATOM 209 CA ASP A 403 12.373 6.782 -31.472 1.00 0.00 C ATOM 210 C ASP A 403 12.589 5.555 -32.356 1.00 0.00 C ATOM 211 O ASP A 403 13.238 5.639 -33.399 1.00 0.00 O ATOM 212 CB ASP A 403 13.611 7.027 -30.608 1.00 0.00 C ATOM 213 CG ASP A 403 13.760 5.999 -29.504 1.00 0.00 C ATOM 214 OD1 ASP A 403 13.959 4.808 -29.824 1.00 0.00 O ATOM 215 OD2 ASP A 403 13.681 6.383 -28.318 1.00 0.00 O ATOM 0 H ASP A 403 11.373 6.187 -29.728 1.00 0.00 H new ATOM 0 HA ASP A 403 12.211 7.645 -32.118 1.00 0.00 H new ATOM 0 HB2 ASP A 403 14.500 7.010 -31.239 1.00 0.00 H new ATOM 0 HB3 ASP A 403 13.552 8.022 -30.168 1.00 0.00 H new ATOM 220 N ASP A 404 12.045 4.418 -31.932 1.00 0.00 N ATOM 221 CA ASP A 404 12.183 3.178 -32.689 1.00 0.00 C ATOM 222 C ASP A 404 13.648 2.762 -32.785 1.00 0.00 C ATOM 223 O ASP A 404 14.525 3.406 -32.212 1.00 0.00 O ATOM 224 CB ASP A 404 11.589 3.342 -34.091 1.00 0.00 C ATOM 225 CG ASP A 404 10.320 2.534 -34.280 1.00 0.00 C ATOM 226 OD1 ASP A 404 10.408 1.288 -34.309 1.00 0.00 O ATOM 227 OD2 ASP A 404 9.238 3.147 -34.399 1.00 0.00 O ATOM 0 H ASP A 404 11.506 4.330 -31.071 1.00 0.00 H new ATOM 0 HA ASP A 404 11.636 2.395 -32.163 1.00 0.00 H new ATOM 0 HB2 ASP A 404 11.376 4.396 -34.271 1.00 0.00 H new ATOM 0 HB3 ASP A 404 12.326 3.035 -34.833 1.00 0.00 H new ATOM 232 N ILE A 405 13.903 1.680 -33.514 1.00 0.00 N ATOM 233 CA ILE A 405 15.262 1.177 -33.684 1.00 0.00 C ATOM 234 C ILE A 405 15.884 0.817 -32.339 1.00 0.00 C ATOM 235 O ILE A 405 17.087 0.978 -32.135 1.00 0.00 O ATOM 236 CB ILE A 405 16.161 2.208 -34.397 1.00 0.00 C ATOM 237 CG1 ILE A 405 15.469 2.748 -35.651 1.00 0.00 C ATOM 238 CG2 ILE A 405 17.503 1.585 -34.753 1.00 0.00 C ATOM 239 CD1 ILE A 405 15.671 4.233 -35.859 1.00 0.00 C ATOM 0 H ILE A 405 13.188 1.135 -33.996 1.00 0.00 H new ATOM 0 HA ILE A 405 15.194 0.282 -34.302 1.00 0.00 H new ATOM 0 HB ILE A 405 16.337 3.042 -33.717 1.00 0.00 H new ATOM 0 HG12 ILE A 405 15.845 2.213 -36.523 1.00 0.00 H new ATOM 0 HG13 ILE A 405 14.401 2.540 -35.585 1.00 0.00 H new ATOM 0 HG21 ILE A 405 18.126 2.325 -35.255 1.00 0.00 H new ATOM 0 HG22 ILE A 405 18.001 1.249 -33.843 1.00 0.00 H new ATOM 0 HG23 ILE A 405 17.345 0.734 -35.415 1.00 0.00 H new ATOM 0 HD11 ILE A 405 15.154 4.547 -36.765 1.00 0.00 H new ATOM 0 HD12 ILE A 405 15.270 4.778 -35.005 1.00 0.00 H new ATOM 0 HD13 ILE A 405 16.736 4.445 -35.957 1.00 0.00 H new ATOM 251 N CYS A 406 15.054 0.330 -31.423 1.00 0.00 N ATOM 252 CA CYS A 406 15.520 -0.053 -30.095 1.00 0.00 C ATOM 253 C CYS A 406 14.669 -1.184 -29.526 1.00 0.00 C ATOM 254 O CYS A 406 13.610 -1.507 -30.063 1.00 0.00 O ATOM 255 CB CYS A 406 15.485 1.151 -29.152 1.00 0.00 C ATOM 256 SG CYS A 406 17.018 2.110 -29.123 1.00 0.00 S ATOM 0 H CYS A 406 14.055 0.191 -31.576 1.00 0.00 H new ATOM 0 HA CYS A 406 16.548 -0.405 -30.185 1.00 0.00 H new ATOM 0 HB2 CYS A 406 14.665 1.806 -29.446 1.00 0.00 H new ATOM 0 HB3 CYS A 406 15.268 0.802 -28.142 1.00 0.00 H new ATOM 0 HG CYS A 406 17.597 2.038 -30.285 1.00 0.00 H new ATOM 262 N ASP A 407 15.139 -1.780 -28.436 1.00 0.00 N ATOM 263 CA ASP A 407 14.421 -2.874 -27.793 1.00 0.00 C ATOM 264 C ASP A 407 14.193 -2.582 -26.315 1.00 0.00 C ATOM 265 O ASP A 407 15.144 -2.446 -25.545 1.00 0.00 O ATOM 266 CB ASP A 407 15.197 -4.184 -27.952 1.00 0.00 C ATOM 267 CG ASP A 407 14.287 -5.366 -28.222 1.00 0.00 C ATOM 268 OD1 ASP A 407 13.371 -5.231 -29.060 1.00 0.00 O ATOM 269 OD2 ASP A 407 14.490 -6.427 -27.595 1.00 0.00 O ATOM 0 H ASP A 407 16.014 -1.524 -27.979 1.00 0.00 H new ATOM 0 HA ASP A 407 13.450 -2.973 -28.279 1.00 0.00 H new ATOM 0 HB2 ASP A 407 15.910 -4.084 -28.770 1.00 0.00 H new ATOM 0 HB3 ASP A 407 15.775 -4.373 -27.047 1.00 0.00 H new ATOM 274 N HIS A 408 12.926 -2.485 -25.925 1.00 0.00 N ATOM 275 CA HIS A 408 12.573 -2.207 -24.538 1.00 0.00 C ATOM 276 C HIS A 408 12.530 -3.495 -23.720 1.00 0.00 C ATOM 277 O HIS A 408 12.984 -3.531 -22.576 1.00 0.00 O ATOM 278 CB HIS A 408 11.221 -1.494 -24.467 1.00 0.00 C ATOM 279 CG HIS A 408 11.230 -0.283 -23.587 1.00 0.00 C ATOM 280 ND1 HIS A 408 10.172 0.063 -22.771 1.00 0.00 N ATOM 281 CD2 HIS A 408 12.176 0.668 -23.396 1.00 0.00 C ATOM 282 CE1 HIS A 408 10.468 1.173 -22.118 1.00 0.00 C ATOM 283 NE2 HIS A 408 11.677 1.559 -22.479 1.00 0.00 N ATOM 0 H HIS A 408 12.127 -2.595 -26.550 1.00 0.00 H new ATOM 0 HA HIS A 408 13.339 -1.557 -24.116 1.00 0.00 H new ATOM 0 HB2 HIS A 408 10.921 -1.200 -25.473 1.00 0.00 H new ATOM 0 HB3 HIS A 408 10.469 -2.193 -24.101 1.00 0.00 H new ATOM 0 HD1 HIS A 408 9.298 -0.457 -22.685 1.00 0.00 H new ATOM 0 HD2 HIS A 408 13.142 0.716 -23.876 1.00 0.00 H new ATOM 0 HE1 HIS A 408 9.829 1.678 -21.409 1.00 0.00 H new ATOM 292 N THR A 409 11.981 -4.550 -24.316 1.00 0.00 N ATOM 293 CA THR A 409 11.879 -5.842 -23.645 1.00 0.00 C ATOM 294 C THR A 409 11.101 -5.719 -22.338 1.00 0.00 C ATOM 295 O THR A 409 10.808 -4.615 -21.880 1.00 0.00 O ATOM 296 CB THR A 409 13.270 -6.417 -23.372 1.00 0.00 C ATOM 297 OG1 THR A 409 13.840 -5.829 -22.215 1.00 0.00 O ATOM 298 CG2 THR A 409 14.242 -6.214 -24.515 1.00 0.00 C ATOM 0 H THR A 409 11.600 -4.535 -25.262 1.00 0.00 H new ATOM 0 HA THR A 409 11.339 -6.520 -24.306 1.00 0.00 H new ATOM 0 HB THR A 409 13.114 -7.487 -23.236 1.00 0.00 H new ATOM 0 HG1 THR A 409 13.945 -4.865 -22.356 1.00 0.00 H new ATOM 0 HG21 THR A 409 15.208 -6.646 -24.253 1.00 0.00 H new ATOM 0 HG22 THR A 409 13.857 -6.702 -25.411 1.00 0.00 H new ATOM 0 HG23 THR A 409 14.362 -5.148 -24.706 1.00 0.00 H new ATOM 306 N LEU A 410 10.770 -6.861 -21.743 1.00 0.00 N ATOM 307 CA LEU A 410 10.027 -6.884 -20.489 1.00 0.00 C ATOM 308 C LEU A 410 10.833 -6.243 -19.362 1.00 0.00 C ATOM 309 O LEU A 410 10.268 -5.735 -18.393 1.00 0.00 O ATOM 310 CB LEU A 410 9.657 -8.323 -20.118 1.00 0.00 C ATOM 311 CG LEU A 410 8.174 -8.552 -19.812 1.00 0.00 C ATOM 312 CD1 LEU A 410 7.525 -9.389 -20.905 1.00 0.00 C ATOM 313 CD2 LEU A 410 8.004 -9.219 -18.456 1.00 0.00 C ATOM 0 H LEU A 410 11.005 -7.783 -22.110 1.00 0.00 H new ATOM 0 HA LEU A 410 9.113 -6.306 -20.627 1.00 0.00 H new ATOM 0 HB2 LEU A 410 9.949 -8.980 -20.937 1.00 0.00 H new ATOM 0 HB3 LEU A 410 10.242 -8.620 -19.248 1.00 0.00 H new ATOM 0 HG LEU A 410 7.677 -7.582 -19.782 1.00 0.00 H new ATOM 0 HD11 LEU A 410 6.472 -9.541 -20.670 1.00 0.00 H new ATOM 0 HD12 LEU A 410 7.613 -8.871 -21.860 1.00 0.00 H new ATOM 0 HD13 LEU A 410 8.026 -10.355 -20.969 1.00 0.00 H new ATOM 0 HD21 LEU A 410 6.944 -9.373 -18.257 1.00 0.00 H new ATOM 0 HD22 LEU A 410 8.517 -10.181 -18.457 1.00 0.00 H new ATOM 0 HD23 LEU A 410 8.430 -8.582 -17.681 1.00 0.00 H new ATOM 325 N GLU A 411 12.156 -6.268 -19.494 1.00 0.00 N ATOM 326 CA GLU A 411 13.038 -5.690 -18.485 1.00 0.00 C ATOM 327 C GLU A 411 12.716 -4.217 -18.255 1.00 0.00 C ATOM 328 O GLU A 411 12.733 -3.739 -17.121 1.00 0.00 O ATOM 329 CB GLU A 411 14.500 -5.843 -18.909 1.00 0.00 C ATOM 330 CG GLU A 411 15.022 -7.266 -18.791 1.00 0.00 C ATOM 331 CD GLU A 411 15.253 -7.684 -17.352 1.00 0.00 C ATOM 332 OE1 GLU A 411 14.279 -7.686 -16.570 1.00 0.00 O ATOM 333 OE2 GLU A 411 16.408 -8.011 -17.006 1.00 0.00 O ATOM 0 H GLU A 411 12.641 -6.682 -20.290 1.00 0.00 H new ATOM 0 HA GLU A 411 12.878 -6.227 -17.550 1.00 0.00 H new ATOM 0 HB2 GLU A 411 14.607 -5.510 -19.941 1.00 0.00 H new ATOM 0 HB3 GLU A 411 15.118 -5.186 -18.297 1.00 0.00 H new ATOM 0 HG2 GLU A 411 14.311 -7.950 -19.255 1.00 0.00 H new ATOM 0 HG3 GLU A 411 15.956 -7.354 -19.346 1.00 0.00 H new ATOM 340 N GLN A 412 12.421 -3.503 -19.337 1.00 0.00 N ATOM 341 CA GLN A 412 12.094 -2.085 -19.250 1.00 0.00 C ATOM 342 C GLN A 412 10.743 -1.879 -18.574 1.00 0.00 C ATOM 343 O GLN A 412 10.543 -0.909 -17.843 1.00 0.00 O ATOM 344 CB GLN A 412 12.082 -1.455 -20.644 1.00 0.00 C ATOM 345 CG GLN A 412 13.454 -1.006 -21.120 1.00 0.00 C ATOM 346 CD GLN A 412 13.768 0.425 -20.729 1.00 0.00 C ATOM 347 OE1 GLN A 412 14.457 1.142 -21.610 1.00 0.00 O flip ATOM 348 NE2 GLN A 412 13.395 0.882 -19.649 1.00 0.00 N flip ATOM 0 H GLN A 412 12.402 -3.883 -20.283 1.00 0.00 H new ATOM 0 HA GLN A 412 12.860 -1.598 -18.647 1.00 0.00 H new ATOM 0 HB2 GLN A 412 11.677 -2.175 -21.356 1.00 0.00 H new ATOM 0 HB3 GLN A 412 11.409 -0.597 -20.640 1.00 0.00 H new ATOM 0 HG2 GLN A 412 14.213 -1.668 -20.703 1.00 0.00 H new ATOM 0 HG3 GLN A 412 13.508 -1.102 -22.204 1.00 0.00 H new ATOM 0 HE21 GLN A 412 12.868 0.296 -19.002 1.00 0.00 H new ATOM 0 HE22 GLN A 412 13.613 1.847 -19.401 1.00 0.00 H new ATOM 357 N GLN A 413 9.818 -2.801 -18.824 1.00 0.00 N ATOM 358 CA GLN A 413 8.485 -2.722 -18.240 1.00 0.00 C ATOM 359 C GLN A 413 8.513 -3.126 -16.769 1.00 0.00 C ATOM 360 O GLN A 413 7.848 -2.511 -15.934 1.00 0.00 O ATOM 361 CB GLN A 413 7.513 -3.620 -19.011 1.00 0.00 C ATOM 362 CG GLN A 413 6.668 -2.869 -20.026 1.00 0.00 C ATOM 363 CD GLN A 413 5.580 -3.733 -20.632 1.00 0.00 C ATOM 364 OE1 GLN A 413 4.664 -4.176 -19.937 1.00 0.00 O ATOM 365 NE2 GLN A 413 5.673 -3.976 -21.934 1.00 0.00 N ATOM 0 H GLN A 413 9.968 -3.610 -19.427 1.00 0.00 H new ATOM 0 HA GLN A 413 8.145 -1.689 -18.308 1.00 0.00 H new ATOM 0 HB2 GLN A 413 8.079 -4.397 -19.525 1.00 0.00 H new ATOM 0 HB3 GLN A 413 6.854 -4.122 -18.302 1.00 0.00 H new ATOM 0 HG2 GLN A 413 6.213 -2.003 -19.545 1.00 0.00 H new ATOM 0 HG3 GLN A 413 7.312 -2.491 -20.820 1.00 0.00 H new ATOM 0 HE21 GLN A 413 6.449 -3.589 -22.471 1.00 0.00 H new ATOM 0 HE22 GLN A 413 4.969 -4.550 -22.397 1.00 0.00 H new ATOM 374 N GLN A 414 9.287 -4.159 -16.459 1.00 0.00 N ATOM 375 CA GLN A 414 9.403 -4.644 -15.090 1.00 0.00 C ATOM 376 C GLN A 414 10.279 -3.714 -14.257 1.00 0.00 C ATOM 377 O GLN A 414 11.142 -3.016 -14.790 1.00 0.00 O ATOM 378 CB GLN A 414 9.985 -6.059 -15.074 1.00 0.00 C ATOM 379 CG GLN A 414 9.048 -7.108 -15.649 1.00 0.00 C ATOM 380 CD GLN A 414 9.239 -8.471 -15.012 1.00 0.00 C ATOM 381 OE1 GLN A 414 8.586 -8.805 -14.023 1.00 0.00 O ATOM 382 NE2 GLN A 414 10.139 -9.267 -15.577 1.00 0.00 N ATOM 0 H GLN A 414 9.844 -4.677 -17.138 1.00 0.00 H new ATOM 0 HA GLN A 414 8.405 -4.664 -14.653 1.00 0.00 H new ATOM 0 HB2 GLN A 414 10.916 -6.066 -15.640 1.00 0.00 H new ATOM 0 HB3 GLN A 414 10.234 -6.329 -14.048 1.00 0.00 H new ATOM 0 HG2 GLN A 414 8.016 -6.786 -15.507 1.00 0.00 H new ATOM 0 HG3 GLN A 414 9.212 -7.187 -16.724 1.00 0.00 H new ATOM 0 HE21 GLN A 414 10.658 -8.950 -16.396 1.00 0.00 H new ATOM 0 HE22 GLN A 414 10.311 -10.196 -15.192 1.00 0.00 H new ATOM 391 N MET A 415 10.051 -3.707 -12.948 1.00 0.00 N ATOM 392 CA MET A 415 10.820 -2.862 -12.043 1.00 0.00 C ATOM 393 C MET A 415 10.436 -3.128 -10.591 1.00 0.00 C ATOM 394 O MET A 415 9.281 -3.430 -10.289 1.00 0.00 O ATOM 395 CB MET A 415 10.599 -1.386 -12.378 1.00 0.00 C ATOM 396 CG MET A 415 9.133 -0.985 -12.420 1.00 0.00 C ATOM 397 SD MET A 415 8.852 0.681 -11.791 1.00 0.00 S ATOM 398 CE MET A 415 7.062 0.722 -11.729 1.00 0.00 C ATOM 0 H MET A 415 9.340 -4.277 -12.490 1.00 0.00 H new ATOM 0 HA MET A 415 11.875 -3.103 -12.171 1.00 0.00 H new ATOM 0 HB2 MET A 415 11.114 -0.773 -11.638 1.00 0.00 H new ATOM 0 HB3 MET A 415 11.054 -1.169 -13.344 1.00 0.00 H new ATOM 0 HG2 MET A 415 8.772 -1.047 -13.447 1.00 0.00 H new ATOM 0 HG3 MET A 415 8.549 -1.694 -11.833 1.00 0.00 H new ATOM 0 HE1 MET A 415 6.733 1.693 -11.358 1.00 0.00 H new ATOM 0 HE2 MET A 415 6.659 0.560 -12.729 1.00 0.00 H new ATOM 0 HE3 MET A 415 6.703 -0.062 -11.062 1.00 0.00 H new ATOM 408 N GLN A 416 11.411 -3.013 -9.696 1.00 0.00 N ATOM 409 CA GLN A 416 11.176 -3.240 -8.276 1.00 0.00 C ATOM 410 C GLN A 416 11.003 -1.914 -7.534 1.00 0.00 C ATOM 411 O GLN A 416 11.967 -1.171 -7.350 1.00 0.00 O ATOM 412 CB GLN A 416 12.337 -4.028 -7.667 1.00 0.00 C ATOM 413 CG GLN A 416 12.389 -5.480 -8.115 1.00 0.00 C ATOM 414 CD GLN A 416 13.785 -6.067 -8.031 1.00 0.00 C ATOM 415 OE1 GLN A 416 14.704 -5.611 -8.712 1.00 0.00 O ATOM 416 NE2 GLN A 416 13.950 -7.084 -7.193 1.00 0.00 N ATOM 0 H GLN A 416 12.372 -2.764 -9.930 1.00 0.00 H new ATOM 0 HA GLN A 416 10.258 -3.818 -8.172 1.00 0.00 H new ATOM 0 HB2 GLN A 416 13.275 -3.541 -7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 416 12.257 -3.994 -6.580 1.00 0.00 H new ATOM 0 HG2 GLN A 416 11.713 -6.071 -7.498 1.00 0.00 H new ATOM 0 HG3 GLN A 416 12.029 -5.553 -9.141 1.00 0.00 H new ATOM 0 HE21 GLN A 416 13.160 -7.429 -6.648 1.00 0.00 H new ATOM 0 HE22 GLN A 416 14.867 -7.520 -7.094 1.00 0.00 H new ATOM 425 N PRO A 417 9.771 -1.595 -7.100 1.00 0.00 N ATOM 426 CA PRO A 417 9.487 -0.349 -6.381 1.00 0.00 C ATOM 427 C PRO A 417 10.270 -0.246 -5.075 1.00 0.00 C ATOM 428 O PRO A 417 10.605 -1.258 -4.460 1.00 0.00 O ATOM 429 CB PRO A 417 7.983 -0.423 -6.093 1.00 0.00 C ATOM 430 CG PRO A 417 7.450 -1.427 -7.058 1.00 0.00 C ATOM 431 CD PRO A 417 8.559 -2.415 -7.276 1.00 0.00 C ATOM 0 HA PRO A 417 9.776 0.526 -6.964 1.00 0.00 H new ATOM 0 HB2 PRO A 417 7.794 -0.727 -5.064 1.00 0.00 H new ATOM 0 HB3 PRO A 417 7.507 0.548 -6.231 1.00 0.00 H new ATOM 0 HG2 PRO A 417 6.562 -1.918 -6.661 1.00 0.00 H new ATOM 0 HG3 PRO A 417 7.159 -0.952 -7.995 1.00 0.00 H new ATOM 0 HD2 PRO A 417 8.517 -3.234 -6.558 1.00 0.00 H new ATOM 0 HD3 PRO A 417 8.514 -2.860 -8.270 1.00 0.00 H new ATOM 439 N LEU A 418 10.557 0.983 -4.659 1.00 0.00 N ATOM 440 CA LEU A 418 11.298 1.218 -3.427 1.00 0.00 C ATOM 441 C LEU A 418 10.372 1.714 -2.319 1.00 0.00 C ATOM 442 O LEU A 418 10.678 1.577 -1.134 1.00 0.00 O ATOM 443 CB LEU A 418 12.434 2.224 -3.659 1.00 0.00 C ATOM 444 CG LEU A 418 12.182 3.290 -4.733 1.00 0.00 C ATOM 445 CD1 LEU A 418 12.194 2.677 -6.128 1.00 0.00 C ATOM 446 CD2 LEU A 418 10.875 4.025 -4.470 1.00 0.00 C ATOM 0 H LEU A 418 10.287 1.831 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 418 11.733 0.269 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 418 12.643 2.729 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 418 13.333 1.670 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 418 12.993 4.016 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 418 12.013 3.455 -6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 418 13.164 2.217 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 418 11.413 1.920 -6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 418 10.718 4.776 -5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 418 10.049 3.314 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 418 10.921 4.512 -3.496 1.00 0.00 H new ATOM 458 N CYS A 419 9.237 2.287 -2.711 1.00 0.00 N ATOM 459 CA CYS A 419 8.264 2.796 -1.752 1.00 0.00 C ATOM 460 C CYS A 419 6.872 2.846 -2.374 1.00 0.00 C ATOM 461 O CYS A 419 6.725 2.766 -3.593 1.00 0.00 O ATOM 462 CB CYS A 419 8.673 4.189 -1.262 1.00 0.00 C ATOM 463 SG CYS A 419 8.617 5.471 -2.537 1.00 0.00 S ATOM 0 H CYS A 419 8.969 2.410 -3.688 1.00 0.00 H new ATOM 0 HA CYS A 419 8.239 2.118 -0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 419 8.017 4.480 -0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 419 9.684 4.137 -0.859 1.00 0.00 H new ATOM 0 HG CYS A 419 8.977 6.610 -2.024 1.00 0.00 H new ATOM 469 N PHE A 420 5.855 2.978 -1.531 1.00 0.00 N ATOM 470 CA PHE A 420 4.477 3.037 -2.006 1.00 0.00 C ATOM 471 C PHE A 420 3.693 4.120 -1.273 1.00 0.00 C ATOM 472 O PHE A 420 3.991 4.447 -0.124 1.00 0.00 O ATOM 473 CB PHE A 420 3.793 1.682 -1.815 1.00 0.00 C ATOM 474 CG PHE A 420 4.472 0.557 -2.543 1.00 0.00 C ATOM 475 CD1 PHE A 420 4.432 0.484 -3.926 1.00 0.00 C ATOM 476 CD2 PHE A 420 5.150 -0.430 -1.843 1.00 0.00 C ATOM 477 CE1 PHE A 420 5.055 -0.550 -4.597 1.00 0.00 C ATOM 478 CE2 PHE A 420 5.775 -1.466 -2.509 1.00 0.00 C ATOM 479 CZ PHE A 420 5.727 -1.527 -3.888 1.00 0.00 C ATOM 0 H PHE A 420 5.957 3.046 -0.518 1.00 0.00 H new ATOM 0 HA PHE A 420 4.496 3.283 -3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 420 3.761 1.448 -0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 420 2.761 1.754 -2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 420 3.908 1.244 -4.486 1.00 0.00 H new ATOM 0 HD2 PHE A 420 5.190 -0.388 -0.765 1.00 0.00 H new ATOM 0 HE1 PHE A 420 5.017 -0.595 -5.675 1.00 0.00 H new ATOM 0 HE2 PHE A 420 6.301 -2.228 -1.952 1.00 0.00 H new ATOM 0 HZ PHE A 420 6.214 -2.337 -4.411 1.00 0.00 H new ATOM 489 N ASN A 421 2.689 4.673 -1.945 1.00 0.00 N ATOM 490 CA ASN A 421 1.859 5.719 -1.359 1.00 0.00 C ATOM 491 C ASN A 421 0.394 5.521 -1.734 1.00 0.00 C ATOM 492 O ASN A 421 0.019 5.651 -2.899 1.00 0.00 O ATOM 493 CB ASN A 421 2.338 7.098 -1.819 1.00 0.00 C ATOM 494 CG ASN A 421 2.467 8.078 -0.670 1.00 0.00 C ATOM 495 OD1 ASN A 421 3.468 8.784 -0.550 1.00 0.00 O ATOM 496 ND2 ASN A 421 1.450 8.126 0.183 1.00 0.00 N ATOM 0 H ASN A 421 2.430 4.414 -2.897 1.00 0.00 H new ATOM 0 HA ASN A 421 1.949 5.657 -0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 421 3.302 6.997 -2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 421 1.639 7.495 -2.555 1.00 0.00 H new ATOM 0 HD21 ASN A 421 1.479 8.767 0.976 1.00 0.00 H new ATOM 0 HD22 ASN A 421 0.640 7.522 0.045 1.00 0.00 H new ATOM 503 N CYS A 422 -0.431 5.206 -0.741 1.00 0.00 N ATOM 504 CA CYS A 422 -1.855 4.991 -0.971 1.00 0.00 C ATOM 505 C CYS A 422 -2.593 6.320 -1.112 1.00 0.00 C ATOM 506 O CYS A 422 -2.703 7.078 -0.150 1.00 0.00 O ATOM 507 CB CYS A 422 -2.464 4.182 0.178 1.00 0.00 C ATOM 508 SG CYS A 422 -4.214 3.781 -0.049 1.00 0.00 S ATOM 0 H CYS A 422 -0.138 5.094 0.230 1.00 0.00 H new ATOM 0 HA CYS A 422 -1.964 4.433 -1.901 1.00 0.00 H new ATOM 0 HB2 CYS A 422 -1.902 3.255 0.294 1.00 0.00 H new ATOM 0 HB3 CYS A 422 -2.348 4.743 1.105 1.00 0.00 H new ATOM 513 N PRO A 423 -3.117 6.624 -2.314 1.00 0.00 N ATOM 514 CA PRO A 423 -3.851 7.867 -2.558 1.00 0.00 C ATOM 515 C PRO A 423 -5.264 7.831 -1.982 1.00 0.00 C ATOM 516 O PRO A 423 -6.002 8.812 -2.061 1.00 0.00 O ATOM 517 CB PRO A 423 -3.895 7.951 -4.081 1.00 0.00 C ATOM 518 CG PRO A 423 -3.875 6.531 -4.533 1.00 0.00 C ATOM 519 CD PRO A 423 -3.043 5.781 -3.525 1.00 0.00 C ATOM 0 HA PRO A 423 -3.376 8.725 -2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.793 8.464 -4.425 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.042 8.505 -4.473 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.885 6.124 -4.584 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -3.447 6.446 -5.532 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.439 4.782 -3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -2.015 5.659 -3.866 1.00 0.00 H new ATOM 527 N ILE A 424 -5.633 6.692 -1.405 1.00 0.00 N ATOM 528 CA ILE A 424 -6.953 6.524 -0.818 1.00 0.00 C ATOM 529 C ILE A 424 -6.924 6.790 0.686 1.00 0.00 C ATOM 530 O ILE A 424 -7.915 7.233 1.266 1.00 0.00 O ATOM 531 CB ILE A 424 -7.491 5.101 -1.075 1.00 0.00 C ATOM 532 CG1 ILE A 424 -7.705 4.877 -2.574 1.00 0.00 C ATOM 533 CG2 ILE A 424 -8.783 4.869 -0.309 1.00 0.00 C ATOM 534 CD1 ILE A 424 -7.477 3.447 -3.009 1.00 0.00 C ATOM 0 H ILE A 424 -5.033 5.871 -1.332 1.00 0.00 H new ATOM 0 HA ILE A 424 -7.615 7.249 -1.293 1.00 0.00 H new ATOM 0 HB ILE A 424 -6.752 4.383 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 424 -8.722 5.170 -2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 424 -7.032 5.529 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 424 -9.145 3.860 -0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 424 -8.599 4.989 0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 424 -9.532 5.592 -0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 424 -7.646 3.362 -4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 424 -6.452 3.156 -2.779 1.00 0.00 H new ATOM 0 HD13 ILE A 424 -8.168 2.791 -2.480 1.00 0.00 H new ATOM 546 N CYS A 425 -5.787 6.507 1.313 1.00 0.00 N ATOM 547 CA CYS A 425 -5.638 6.705 2.752 1.00 0.00 C ATOM 548 C CYS A 425 -4.454 7.616 3.080 1.00 0.00 C ATOM 549 O CYS A 425 -4.296 8.046 4.223 1.00 0.00 O ATOM 550 CB CYS A 425 -5.465 5.356 3.446 1.00 0.00 C ATOM 551 SG CYS A 425 -6.751 4.159 3.029 1.00 0.00 S ATOM 0 H CYS A 425 -4.956 6.140 0.849 1.00 0.00 H new ATOM 0 HA CYS A 425 -6.542 7.193 3.116 1.00 0.00 H new ATOM 0 HB2 CYS A 425 -4.493 4.941 3.178 1.00 0.00 H new ATOM 0 HB3 CYS A 425 -5.460 5.510 4.525 1.00 0.00 H new ATOM 556 N ASP A 426 -3.623 7.904 2.081 1.00 0.00 N ATOM 557 CA ASP A 426 -2.457 8.760 2.279 1.00 0.00 C ATOM 558 C ASP A 426 -1.442 8.088 3.197 1.00 0.00 C ATOM 559 O ASP A 426 -0.839 8.734 4.054 1.00 0.00 O ATOM 560 CB ASP A 426 -2.879 10.111 2.863 1.00 0.00 C ATOM 561 CG ASP A 426 -2.096 11.266 2.268 1.00 0.00 C ATOM 562 OD1 ASP A 426 -0.948 11.491 2.701 1.00 0.00 O ATOM 563 OD2 ASP A 426 -2.633 11.945 1.367 1.00 0.00 O ATOM 0 H ASP A 426 -3.735 7.558 1.128 1.00 0.00 H new ATOM 0 HA ASP A 426 -1.989 8.926 1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -3.943 10.266 2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -2.737 10.097 3.944 1.00 0.00 H new ATOM 568 N LYS A 427 -1.259 6.784 3.010 1.00 0.00 N ATOM 569 CA LYS A 427 -0.318 6.018 3.820 1.00 0.00 C ATOM 570 C LYS A 427 0.834 5.498 2.967 1.00 0.00 C ATOM 571 O LYS A 427 0.635 5.077 1.827 1.00 0.00 O ATOM 572 CB LYS A 427 -1.035 4.850 4.500 1.00 0.00 C ATOM 573 CG LYS A 427 -0.558 4.585 5.919 1.00 0.00 C ATOM 574 CD LYS A 427 -1.725 4.408 6.876 1.00 0.00 C ATOM 575 CE LYS A 427 -2.047 5.700 7.609 1.00 0.00 C ATOM 576 NZ LYS A 427 -2.433 5.454 9.026 1.00 0.00 N ATOM 0 H LYS A 427 -1.750 6.236 2.304 1.00 0.00 H new ATOM 0 HA LYS A 427 0.091 6.679 4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 427 -2.106 5.053 4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 427 -0.891 3.949 3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 427 0.064 3.690 5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 427 0.066 5.413 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 427 -2.603 4.074 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 427 -1.488 3.628 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 427 -1.180 6.360 7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 427 -2.859 6.216 7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 -2.645 6.360 9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 -3.275 4.845 9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 -1.649 4.985 9.523 1.00 0.00 H new ATOM 590 N ILE A 428 2.040 5.528 3.526 1.00 0.00 N ATOM 591 CA ILE A 428 3.223 5.058 2.817 1.00 0.00 C ATOM 592 C ILE A 428 3.574 3.630 3.220 1.00 0.00 C ATOM 593 O ILE A 428 3.369 3.231 4.367 1.00 0.00 O ATOM 594 CB ILE A 428 4.437 5.969 3.083 1.00 0.00 C ATOM 595 CG1 ILE A 428 4.060 7.435 2.853 1.00 0.00 C ATOM 596 CG2 ILE A 428 5.606 5.571 2.194 1.00 0.00 C ATOM 597 CD1 ILE A 428 3.736 8.182 4.129 1.00 0.00 C ATOM 0 H ILE A 428 2.223 5.873 4.468 1.00 0.00 H new ATOM 0 HA ILE A 428 2.986 5.084 1.753 1.00 0.00 H new ATOM 0 HB ILE A 428 4.742 5.849 4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 428 4.883 7.938 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 428 3.199 7.480 2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 428 6.455 6.225 2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 428 5.886 4.538 2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 428 5.316 5.665 1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 428 3.478 9.214 3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 428 2.893 7.703 4.627 1.00 0.00 H new ATOM 0 HD13 ILE A 428 4.603 8.168 4.789 1.00 0.00 H new ATOM 609 N PHE A 429 4.102 2.863 2.271 1.00 0.00 N ATOM 610 CA PHE A 429 4.479 1.478 2.531 1.00 0.00 C ATOM 611 C PHE A 429 5.822 1.144 1.878 1.00 0.00 C ATOM 612 O PHE A 429 5.947 1.172 0.654 1.00 0.00 O ATOM 613 CB PHE A 429 3.396 0.529 2.013 1.00 0.00 C ATOM 614 CG PHE A 429 2.049 0.752 2.641 1.00 0.00 C ATOM 615 CD1 PHE A 429 1.799 0.332 3.938 1.00 0.00 C ATOM 616 CD2 PHE A 429 1.033 1.380 1.936 1.00 0.00 C ATOM 617 CE1 PHE A 429 0.561 0.534 4.519 1.00 0.00 C ATOM 618 CE2 PHE A 429 -0.205 1.584 2.512 1.00 0.00 C ATOM 619 CZ PHE A 429 -0.442 1.160 3.805 1.00 0.00 C ATOM 0 H PHE A 429 4.278 3.177 1.317 1.00 0.00 H new ATOM 0 HA PHE A 429 4.580 1.351 3.609 1.00 0.00 H new ATOM 0 HB2 PHE A 429 3.308 0.647 0.933 1.00 0.00 H new ATOM 0 HB3 PHE A 429 3.708 -0.499 2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 429 2.580 -0.158 4.501 1.00 0.00 H new ATOM 0 HD2 PHE A 429 1.212 1.713 0.925 1.00 0.00 H new ATOM 0 HE1 PHE A 429 0.378 0.203 5.531 1.00 0.00 H new ATOM 0 HE2 PHE A 429 -0.987 2.075 1.952 1.00 0.00 H new ATOM 0 HZ PHE A 429 -1.410 1.318 4.257 1.00 0.00 H new ATOM 629 N PRO A 430 6.848 0.820 2.687 1.00 0.00 N ATOM 630 CA PRO A 430 8.182 0.477 2.176 1.00 0.00 C ATOM 631 C PRO A 430 8.137 -0.659 1.159 1.00 0.00 C ATOM 632 O PRO A 430 7.193 -1.447 1.138 1.00 0.00 O ATOM 633 CB PRO A 430 8.950 0.043 3.428 1.00 0.00 C ATOM 634 CG PRO A 430 8.240 0.704 4.558 1.00 0.00 C ATOM 635 CD PRO A 430 6.792 0.758 4.160 1.00 0.00 C ATOM 0 HA PRO A 430 8.641 1.314 1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 430 8.946 -1.041 3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 430 9.993 0.355 3.380 1.00 0.00 H new ATOM 0 HG2 PRO A 430 8.370 0.142 5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 430 8.634 1.705 4.735 1.00 0.00 H new ATOM 0 HD2 PRO A 430 6.247 -0.120 4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 430 6.291 1.630 4.581 1.00 0.00 H new ATOM 643 N ALA A 431 9.163 -0.737 0.314 1.00 0.00 N ATOM 644 CA ALA A 431 9.235 -1.778 -0.707 1.00 0.00 C ATOM 645 C ALA A 431 9.079 -3.164 -0.091 1.00 0.00 C ATOM 646 O ALA A 431 8.513 -4.068 -0.706 1.00 0.00 O ATOM 647 CB ALA A 431 10.549 -1.680 -1.467 1.00 0.00 C ATOM 0 H ALA A 431 9.954 -0.093 0.317 1.00 0.00 H new ATOM 0 HA ALA A 431 8.412 -1.626 -1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 431 10.590 -2.462 -2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 431 10.619 -0.704 -1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 431 11.381 -1.804 -0.773 1.00 0.00 H new ATOM 653 N THR A 432 9.575 -3.323 1.132 1.00 0.00 N ATOM 654 CA THR A 432 9.476 -4.598 1.835 1.00 0.00 C ATOM 655 C THR A 432 8.055 -4.820 2.340 1.00 0.00 C ATOM 656 O THR A 432 7.642 -5.953 2.583 1.00 0.00 O ATOM 657 CB THR A 432 10.460 -4.640 3.005 1.00 0.00 C ATOM 658 OG1 THR A 432 10.279 -5.818 3.770 1.00 0.00 O ATOM 659 CG2 THR A 432 10.329 -3.459 3.942 1.00 0.00 C ATOM 0 H THR A 432 10.048 -2.587 1.656 1.00 0.00 H new ATOM 0 HA THR A 432 9.727 -5.395 1.136 1.00 0.00 H new ATOM 0 HB THR A 432 11.450 -4.612 2.550 1.00 0.00 H new ATOM 0 HG1 THR A 432 10.918 -5.827 4.513 1.00 0.00 H new ATOM 0 HG21 THR A 432 11.056 -3.552 4.749 1.00 0.00 H new ATOM 0 HG22 THR A 432 10.513 -2.536 3.392 1.00 0.00 H new ATOM 0 HG23 THR A 432 9.323 -3.437 4.361 1.00 0.00 H new ATOM 667 N GLU A 433 7.306 -3.729 2.482 1.00 0.00 N ATOM 668 CA GLU A 433 5.927 -3.806 2.943 1.00 0.00 C ATOM 669 C GLU A 433 4.966 -3.922 1.762 1.00 0.00 C ATOM 670 O GLU A 433 3.763 -3.707 1.909 1.00 0.00 O ATOM 671 CB GLU A 433 5.577 -2.575 3.782 1.00 0.00 C ATOM 672 CG GLU A 433 6.255 -2.554 5.142 1.00 0.00 C ATOM 673 CD GLU A 433 5.363 -1.985 6.229 1.00 0.00 C ATOM 674 OE1 GLU A 433 4.576 -2.758 6.814 1.00 0.00 O ATOM 675 OE2 GLU A 433 5.452 -0.768 6.494 1.00 0.00 O ATOM 0 H GLU A 433 7.633 -2.783 2.284 1.00 0.00 H new ATOM 0 HA GLU A 433 5.825 -4.698 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 433 5.859 -1.678 3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 433 4.497 -2.537 3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 433 6.550 -3.568 5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 433 7.168 -1.962 5.080 1.00 0.00 H new ATOM 682 N LYS A 434 5.500 -4.269 0.591 1.00 0.00 N ATOM 683 CA LYS A 434 4.684 -4.418 -0.608 1.00 0.00 C ATOM 684 C LYS A 434 3.547 -5.400 -0.358 1.00 0.00 C ATOM 685 O LYS A 434 2.441 -5.228 -0.867 1.00 0.00 O ATOM 686 CB LYS A 434 5.541 -4.897 -1.781 1.00 0.00 C ATOM 687 CG LYS A 434 4.810 -4.880 -3.113 1.00 0.00 C ATOM 688 CD LYS A 434 5.516 -5.743 -4.147 1.00 0.00 C ATOM 689 CE LYS A 434 5.483 -5.102 -5.524 1.00 0.00 C ATOM 690 NZ LYS A 434 6.312 -5.852 -6.507 1.00 0.00 N ATOM 0 H LYS A 434 6.494 -4.451 0.450 1.00 0.00 H new ATOM 0 HA LYS A 434 4.260 -3.446 -0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 434 6.427 -4.267 -1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 434 5.886 -5.911 -1.578 1.00 0.00 H new ATOM 0 HG2 LYS A 434 3.790 -5.238 -2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 434 4.741 -3.855 -3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 434 6.551 -5.903 -3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 434 5.041 -6.723 -4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 434 4.453 -5.056 -5.878 1.00 0.00 H new ATOM 0 HE3 LYS A 434 5.842 -4.075 -5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 6.262 -5.382 -7.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 7.300 -5.874 -6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 5.954 -6.825 -6.593 1.00 0.00 H new ATOM 704 N GLN A 435 3.828 -6.425 0.438 1.00 0.00 N ATOM 705 CA GLN A 435 2.825 -7.430 0.768 1.00 0.00 C ATOM 706 C GLN A 435 1.691 -6.788 1.561 1.00 0.00 C ATOM 707 O GLN A 435 0.512 -6.942 1.229 1.00 0.00 O ATOM 708 CB GLN A 435 3.456 -8.569 1.578 1.00 0.00 C ATOM 709 CG GLN A 435 4.878 -8.912 1.155 1.00 0.00 C ATOM 710 CD GLN A 435 5.323 -10.271 1.656 1.00 0.00 C ATOM 711 OE1 GLN A 435 6.027 -10.376 2.661 1.00 0.00 O ATOM 712 NE2 GLN A 435 4.915 -11.323 0.955 1.00 0.00 N ATOM 0 H GLN A 435 4.740 -6.582 0.866 1.00 0.00 H new ATOM 0 HA GLN A 435 2.424 -7.844 -0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 435 3.457 -8.294 2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 435 2.834 -9.459 1.481 1.00 0.00 H new ATOM 0 HG2 GLN A 435 4.945 -8.890 0.067 1.00 0.00 H new ATOM 0 HG3 GLN A 435 5.559 -8.149 1.532 1.00 0.00 H new ATOM 0 HE21 GLN A 435 4.332 -11.190 0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 435 5.184 -12.264 1.243 1.00 0.00 H new ATOM 721 N ILE A 436 2.062 -6.044 2.598 1.00 0.00 N ATOM 722 CA ILE A 436 1.088 -5.353 3.429 1.00 0.00 C ATOM 723 C ILE A 436 0.413 -4.250 2.629 1.00 0.00 C ATOM 724 O ILE A 436 -0.770 -3.967 2.811 1.00 0.00 O ATOM 725 CB ILE A 436 1.744 -4.742 4.683 1.00 0.00 C ATOM 726 CG1 ILE A 436 2.616 -5.783 5.391 1.00 0.00 C ATOM 727 CG2 ILE A 436 0.680 -4.202 5.627 1.00 0.00 C ATOM 728 CD1 ILE A 436 4.015 -5.294 5.693 1.00 0.00 C ATOM 0 H ILE A 436 3.032 -5.905 2.882 1.00 0.00 H new ATOM 0 HA ILE A 436 0.349 -6.087 3.751 1.00 0.00 H new ATOM 0 HB ILE A 436 2.382 -3.914 4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 436 2.133 -6.076 6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 436 2.678 -6.676 4.770 1.00 0.00 H new ATOM 0 HG21 ILE A 436 1.158 -3.774 6.508 1.00 0.00 H new ATOM 0 HG22 ILE A 436 0.100 -3.432 5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 436 0.018 -5.013 5.932 1.00 0.00 H new ATOM 0 HD11 ILE A 436 4.576 -6.083 6.194 1.00 0.00 H new ATOM 0 HD12 ILE A 436 4.516 -5.028 4.762 1.00 0.00 H new ATOM 0 HD13 ILE A 436 3.963 -4.418 6.340 1.00 0.00 H new ATOM 740 N PHE A 437 1.178 -3.641 1.729 1.00 0.00 N ATOM 741 CA PHE A 437 0.660 -2.579 0.881 1.00 0.00 C ATOM 742 C PHE A 437 -0.399 -3.135 -0.061 1.00 0.00 C ATOM 743 O PHE A 437 -1.471 -2.553 -0.221 1.00 0.00 O ATOM 744 CB PHE A 437 1.793 -1.933 0.077 1.00 0.00 C ATOM 745 CG PHE A 437 1.313 -0.954 -0.955 1.00 0.00 C ATOM 746 CD1 PHE A 437 0.317 -0.041 -0.649 1.00 0.00 C ATOM 747 CD2 PHE A 437 1.853 -0.950 -2.231 1.00 0.00 C ATOM 748 CE1 PHE A 437 -0.131 0.858 -1.596 1.00 0.00 C ATOM 749 CE2 PHE A 437 1.409 -0.052 -3.182 1.00 0.00 C ATOM 750 CZ PHE A 437 0.415 0.853 -2.863 1.00 0.00 C ATOM 0 H PHE A 437 2.160 -3.867 1.570 1.00 0.00 H new ATOM 0 HA PHE A 437 0.207 -1.817 1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 437 2.470 -1.423 0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 437 2.369 -2.715 -0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 437 -0.114 -0.032 0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 437 2.629 -1.657 -2.485 1.00 0.00 H new ATOM 0 HE1 PHE A 437 -0.908 1.565 -1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 437 1.838 -0.057 -4.173 1.00 0.00 H new ATOM 0 HZ PHE A 437 0.066 1.556 -3.605 1.00 0.00 H new ATOM 760 N GLU A 438 -0.096 -4.278 -0.673 1.00 0.00 N ATOM 761 CA GLU A 438 -1.028 -4.921 -1.589 1.00 0.00 C ATOM 762 C GLU A 438 -2.331 -5.229 -0.869 1.00 0.00 C ATOM 763 O GLU A 438 -3.418 -4.981 -1.393 1.00 0.00 O ATOM 764 CB GLU A 438 -0.422 -6.207 -2.156 1.00 0.00 C ATOM 765 CG GLU A 438 0.551 -5.969 -3.299 1.00 0.00 C ATOM 766 CD GLU A 438 0.833 -7.227 -4.097 1.00 0.00 C ATOM 767 OE1 GLU A 438 0.601 -8.333 -3.563 1.00 0.00 O ATOM 768 OE2 GLU A 438 1.286 -7.108 -5.254 1.00 0.00 O ATOM 0 H GLU A 438 0.786 -4.775 -0.550 1.00 0.00 H new ATOM 0 HA GLU A 438 -1.230 -4.241 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 438 0.093 -6.739 -1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 438 -1.226 -6.855 -2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 438 0.146 -5.205 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 438 1.487 -5.580 -2.899 1.00 0.00 H new ATOM 775 N ASP A 439 -2.215 -5.751 0.348 1.00 0.00 N ATOM 776 CA ASP A 439 -3.388 -6.066 1.151 1.00 0.00 C ATOM 777 C ASP A 439 -4.112 -4.783 1.546 1.00 0.00 C ATOM 778 O ASP A 439 -5.342 -4.738 1.597 1.00 0.00 O ATOM 779 CB ASP A 439 -2.985 -6.849 2.402 1.00 0.00 C ATOM 780 CG ASP A 439 -2.280 -8.149 2.069 1.00 0.00 C ATOM 781 OD1 ASP A 439 -2.884 -8.990 1.370 1.00 0.00 O ATOM 782 OD2 ASP A 439 -1.124 -8.327 2.507 1.00 0.00 O ATOM 0 H ASP A 439 -1.324 -5.964 0.797 1.00 0.00 H new ATOM 0 HA ASP A 439 -4.061 -6.684 0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.331 -6.232 3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -3.874 -7.063 2.995 1.00 0.00 H new ATOM 787 N HIS A 440 -3.333 -3.739 1.821 1.00 0.00 N ATOM 788 CA HIS A 440 -3.888 -2.447 2.210 1.00 0.00 C ATOM 789 C HIS A 440 -4.703 -1.837 1.074 1.00 0.00 C ATOM 790 O HIS A 440 -5.828 -1.382 1.284 1.00 0.00 O ATOM 791 CB HIS A 440 -2.763 -1.493 2.618 1.00 0.00 C ATOM 792 CG HIS A 440 -3.243 -0.135 3.025 1.00 0.00 C ATOM 793 ND1 HIS A 440 -3.822 0.143 4.243 1.00 0.00 N ATOM 794 CD2 HIS A 440 -3.215 1.042 2.348 1.00 0.00 C ATOM 795 CE1 HIS A 440 -4.121 1.449 4.267 1.00 0.00 C ATOM 796 NE2 HIS A 440 -3.772 2.039 3.143 1.00 0.00 N ATOM 0 H HIS A 440 -2.314 -3.764 1.781 1.00 0.00 H new ATOM 0 HA HIS A 440 -4.552 -2.604 3.060 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.206 -1.935 3.445 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -2.068 -1.388 1.785 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -3.993 -0.526 4.994 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.823 1.182 1.351 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -4.588 1.952 5.101 1.00 0.00 H new ATOM 804 N VAL A 441 -4.139 -1.838 -0.131 1.00 0.00 N ATOM 805 CA VAL A 441 -4.832 -1.287 -1.291 1.00 0.00 C ATOM 806 C VAL A 441 -6.031 -2.155 -1.654 1.00 0.00 C ATOM 807 O VAL A 441 -7.054 -1.657 -2.124 1.00 0.00 O ATOM 808 CB VAL A 441 -3.913 -1.166 -2.526 1.00 0.00 C ATOM 809 CG1 VAL A 441 -4.427 -0.087 -3.464 1.00 0.00 C ATOM 810 CG2 VAL A 441 -2.477 -0.872 -2.117 1.00 0.00 C ATOM 0 H VAL A 441 -3.211 -2.211 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 441 -5.159 -0.286 -1.011 1.00 0.00 H new ATOM 0 HB VAL A 441 -3.925 -2.122 -3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -3.769 -0.014 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -5.434 -0.342 -3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -4.448 0.870 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.854 -0.792 -3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.441 0.067 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.106 -1.679 -1.486 1.00 0.00 H new ATOM 820 N PHE A 442 -5.897 -3.458 -1.424 1.00 0.00 N ATOM 821 CA PHE A 442 -6.968 -4.401 -1.719 1.00 0.00 C ATOM 822 C PHE A 442 -8.199 -4.098 -0.871 1.00 0.00 C ATOM 823 O PHE A 442 -9.324 -4.111 -1.368 1.00 0.00 O ATOM 824 CB PHE A 442 -6.499 -5.836 -1.468 1.00 0.00 C ATOM 825 CG PHE A 442 -6.216 -6.605 -2.726 1.00 0.00 C ATOM 826 CD1 PHE A 442 -7.200 -6.773 -3.687 1.00 0.00 C ATOM 827 CD2 PHE A 442 -4.966 -7.158 -2.949 1.00 0.00 C ATOM 828 CE1 PHE A 442 -6.944 -7.480 -4.845 1.00 0.00 C ATOM 829 CE2 PHE A 442 -4.702 -7.866 -4.107 1.00 0.00 C ATOM 830 CZ PHE A 442 -5.693 -8.028 -5.056 1.00 0.00 C ATOM 0 H PHE A 442 -5.056 -3.884 -1.034 1.00 0.00 H new ATOM 0 HA PHE A 442 -7.235 -4.296 -2.771 1.00 0.00 H new ATOM 0 HB2 PHE A 442 -5.597 -5.813 -0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 442 -7.261 -6.363 -0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 442 -8.179 -6.346 -3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 442 -4.188 -7.035 -2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 442 -7.721 -7.605 -5.585 1.00 0.00 H new ATOM 0 HE2 PHE A 442 -3.723 -8.292 -4.269 1.00 0.00 H new ATOM 0 HZ PHE A 442 -5.490 -8.582 -5.961 1.00 0.00 H new ATOM 840 N CYS A 443 -7.975 -3.821 0.410 1.00 0.00 N ATOM 841 CA CYS A 443 -9.068 -3.512 1.327 1.00 0.00 C ATOM 842 C CYS A 443 -9.916 -2.363 0.791 1.00 0.00 C ATOM 843 O CYS A 443 -11.120 -2.297 1.038 1.00 0.00 O ATOM 844 CB CYS A 443 -8.517 -3.151 2.708 1.00 0.00 C ATOM 845 SG CYS A 443 -9.698 -3.382 4.057 1.00 0.00 S ATOM 0 H CYS A 443 -7.049 -3.804 0.836 1.00 0.00 H new ATOM 0 HA CYS A 443 -9.698 -4.397 1.415 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -7.633 -3.758 2.905 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -8.193 -2.110 2.697 1.00 0.00 H new ATOM 0 HG CYS A 443 -9.140 -3.053 5.184 1.00 0.00 H new ATOM 851 N HIS A 444 -9.276 -1.461 0.057 1.00 0.00 N ATOM 852 CA HIS A 444 -9.963 -0.312 -0.520 1.00 0.00 C ATOM 853 C HIS A 444 -10.729 -0.706 -1.781 1.00 0.00 C ATOM 854 O HIS A 444 -11.642 0.000 -2.209 1.00 0.00 O ATOM 855 CB HIS A 444 -8.958 0.796 -0.835 1.00 0.00 C ATOM 856 CG HIS A 444 -7.954 1.010 0.255 1.00 0.00 C ATOM 857 ND1 HIS A 444 -8.249 0.915 1.595 1.00 0.00 N ATOM 858 CD2 HIS A 444 -6.631 1.308 0.183 1.00 0.00 C ATOM 859 CE1 HIS A 444 -7.125 1.152 2.283 1.00 0.00 C ATOM 860 NE2 HIS A 444 -6.113 1.394 1.471 1.00 0.00 N ATOM 0 H HIS A 444 -8.279 -1.503 -0.153 1.00 0.00 H new ATOM 0 HA HIS A 444 -10.683 0.057 0.210 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -8.435 0.551 -1.759 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -9.497 1.727 -1.011 1.00 0.00 H new ATOM 0 HD1 HIS A 444 -9.163 0.702 1.994 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.071 1.455 -0.729 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -7.056 1.146 3.361 1.00 0.00 H new ATOM 868 N SER A 445 -10.352 -1.836 -2.374 1.00 0.00 N ATOM 869 CA SER A 445 -11.007 -2.318 -3.585 1.00 0.00 C ATOM 870 C SER A 445 -12.061 -3.376 -3.264 1.00 0.00 C ATOM 871 O SER A 445 -12.902 -3.698 -4.102 1.00 0.00 O ATOM 872 CB SER A 445 -9.971 -2.892 -4.554 1.00 0.00 C ATOM 873 OG SER A 445 -9.156 -3.860 -3.914 1.00 0.00 O ATOM 0 H SER A 445 -9.598 -2.433 -2.036 1.00 0.00 H new ATOM 0 HA SER A 445 -11.508 -1.471 -4.053 1.00 0.00 H new ATOM 0 HB2 SER A 445 -10.477 -3.344 -5.407 1.00 0.00 H new ATOM 0 HB3 SER A 445 -9.348 -2.087 -4.944 1.00 0.00 H new ATOM 0 HG SER A 445 -9.573 -4.132 -3.070 1.00 0.00 H new ATOM 879 N LEU A 446 -12.014 -3.915 -2.047 1.00 0.00 N ATOM 880 CA LEU A 446 -12.971 -4.933 -1.628 1.00 0.00 C ATOM 881 C LEU A 446 -14.109 -4.312 -0.825 1.00 0.00 C ATOM 882 O LEU A 446 -15.185 -4.074 -1.411 1.00 0.00 O ATOM 883 CB LEU A 446 -12.273 -6.013 -0.795 1.00 0.00 C ATOM 884 CG LEU A 446 -11.120 -6.735 -1.497 1.00 0.00 C ATOM 885 CD1 LEU A 446 -10.628 -7.901 -0.654 1.00 0.00 C ATOM 886 CD2 LEU A 446 -11.550 -7.216 -2.875 1.00 0.00 C ATOM 887 OXT LEU A 446 -13.914 -4.071 0.386 1.00 0.00 O ATOM 0 H LEU A 446 -11.326 -3.664 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 446 -13.389 -5.391 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 446 -11.892 -5.555 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 446 -13.015 -6.753 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 446 -10.298 -6.030 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 446 -9.808 -8.402 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 446 -10.279 -7.531 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 446 -11.444 -8.607 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 446 -10.717 -7.727 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 446 -12.389 -7.905 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 446 -11.852 -6.362 -3.481 1.00 0.00 H new TER 899 LEU A 446 HETATM 900 ZN ZN A 447 -5.076 3.068 2.013 1.00 0.00 ZN