USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 480 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 Set 1.1: A 430 THR OG1 : rot -41:sc= 0.101 USER MOD Set 1.2: A 437 SER OG : rot 180:sc= -3.73! USER MOD Set 2.1: A 398 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 417 HIS : no HE2:sc= -0.22 K(o=-0.22,f=-2.9!) USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 TYR OH : rot 180:sc= -0.0077 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 399 ASN : amide:sc= -0.251 K(o=-0.25,f=-8.4!) USER MOD Single : A 400 GLN : amide:sc= 0.276 K(o=0.28,f=-0.65) USER MOD Single : A 401 ASN : amide:sc= -0.848 K(o=-0.85,f=-2.1) USER MOD Single : A 402 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-1.4) USER MOD Single : A 405 LYS NZ :NH3+ -163:sc= -0.118 (180deg=-0.539) USER MOD Single : A 408 GLN : amide:sc= -3.18! C(o=-3.2!,f=-3.2!) USER MOD Single : A 410 LYS NZ :NH3+ -176:sc= -0.464 (180deg=-0.556) USER MOD Single : A 411 SER OG : rot 180:sc= -0.624 USER MOD Single : A 420 TYR OH : rot 180:sc= -0.0595 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 GLN :FLIP amide:sc= -0.018 F(o=-1.2,f=-0.018) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 434 ASN : amide:sc= -0.0756 X(o=-0.076,f=-0.0047) USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 160:sc= -0.214 (180deg=-0.806) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 18.785 1.855 0.049 1.00 0.00 N ATOM 2 CA LEU A 386 19.020 1.673 -1.368 1.00 0.00 C ATOM 3 C LEU A 386 17.708 1.660 -2.136 1.00 0.00 C ATOM 4 O LEU A 386 17.370 2.625 -2.820 1.00 0.00 O ATOM 5 CB LEU A 386 19.782 0.371 -1.602 1.00 0.00 C ATOM 6 CG LEU A 386 21.215 0.353 -1.078 1.00 0.00 C ATOM 7 CD1 LEU A 386 21.785 -1.054 -1.130 1.00 0.00 C ATOM 8 CD2 LEU A 386 22.081 1.309 -1.883 1.00 0.00 C ATOM 0 HA LEU A 386 19.618 2.509 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 386 19.230 -0.443 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 386 19.801 0.167 -2.673 1.00 0.00 H new ATOM 0 HG LEU A 386 21.208 0.681 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 386 22.807 -1.047 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 386 21.176 -1.716 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 386 21.781 -1.410 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 386 23.101 1.287 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 386 22.081 1.006 -2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 386 21.683 2.320 -1.798 1.00 0.00 H new ATOM 20 N ARG A 387 16.963 0.573 -2.002 1.00 0.00 N ATOM 21 CA ARG A 387 15.710 0.411 -2.721 1.00 0.00 C ATOM 22 C ARG A 387 14.546 0.975 -1.917 1.00 0.00 C ATOM 23 O ARG A 387 13.862 0.241 -1.206 1.00 0.00 O ATOM 24 CB ARG A 387 15.458 -1.070 -3.024 1.00 0.00 C ATOM 25 CG ARG A 387 16.445 -1.698 -3.999 1.00 0.00 C ATOM 26 CD ARG A 387 16.101 -1.379 -5.448 1.00 0.00 C ATOM 27 NE ARG A 387 16.351 0.020 -5.795 1.00 0.00 N ATOM 28 CZ ARG A 387 15.563 0.746 -6.585 1.00 0.00 C ATOM 29 NH1 ARG A 387 14.426 0.238 -7.048 1.00 0.00 N ATOM 30 NH2 ARG A 387 15.910 1.987 -6.898 1.00 0.00 N ATOM 0 H ARG A 387 17.207 -0.213 -1.399 1.00 0.00 H new ATOM 0 HA ARG A 387 15.786 0.962 -3.659 1.00 0.00 H new ATOM 0 HB2 ARG A 387 15.488 -1.628 -2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 387 14.451 -1.178 -3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 387 17.450 -1.339 -3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 387 16.455 -2.779 -3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 387 16.686 -2.022 -6.106 1.00 0.00 H new ATOM 0 HD3 ARG A 387 15.051 -1.611 -5.627 1.00 0.00 H new ATOM 0 HE ARG A 387 17.182 0.467 -5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 387 14.153 -0.713 -6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 387 13.826 0.799 -7.653 1.00 0.00 H new ATOM 0 HH21 ARG A 387 16.777 2.381 -6.534 1.00 0.00 H new ATOM 0 HH22 ARG A 387 15.310 2.547 -7.503 1.00 0.00 H new ATOM 44 N LYS A 388 14.338 2.278 -2.000 1.00 0.00 N ATOM 45 CA LYS A 388 13.176 2.884 -1.362 1.00 0.00 C ATOM 46 C LYS A 388 11.979 2.851 -2.297 1.00 0.00 C ATOM 47 O LYS A 388 12.120 2.914 -3.521 1.00 0.00 O ATOM 48 CB LYS A 388 13.429 4.330 -0.932 1.00 0.00 C ATOM 49 CG LYS A 388 14.485 4.485 0.150 1.00 0.00 C ATOM 50 CD LYS A 388 15.884 4.537 -0.430 1.00 0.00 C ATOM 51 CE LYS A 388 16.117 5.822 -1.204 1.00 0.00 C ATOM 52 NZ LYS A 388 17.497 5.899 -1.748 1.00 0.00 N ATOM 0 H LYS A 388 14.947 2.930 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 388 12.973 2.295 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.732 4.909 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.493 4.759 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 388 14.293 5.396 0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.413 3.653 0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 388 16.616 4.457 0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 388 16.039 3.682 -1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 388 15.400 5.888 -2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 388 15.936 6.676 -0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 17.615 6.791 -2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 18.181 5.862 -0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 17.662 5.098 -2.390 1.00 0.00 H new ATOM 66 N CYS A 389 10.806 2.759 -1.708 1.00 0.00 N ATOM 67 CA CYS A 389 9.564 2.755 -2.462 1.00 0.00 C ATOM 68 C CYS A 389 8.890 4.124 -2.394 1.00 0.00 C ATOM 69 O CYS A 389 9.198 4.929 -1.496 1.00 0.00 O ATOM 70 CB CYS A 389 8.618 1.675 -1.920 1.00 0.00 C ATOM 71 SG CYS A 389 9.090 -0.036 -2.350 1.00 0.00 S ATOM 0 H CYS A 389 10.683 2.685 -0.698 1.00 0.00 H new ATOM 0 HA CYS A 389 9.795 2.533 -3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.572 1.763 -0.835 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.614 1.867 -2.299 1.00 0.00 H new ATOM 76 N TYR A 390 7.991 4.376 -3.357 1.00 0.00 N ATOM 77 CA TYR A 390 7.144 5.572 -3.379 1.00 0.00 C ATOM 78 C TYR A 390 5.675 5.171 -3.414 1.00 0.00 C ATOM 79 O TYR A 390 5.248 4.335 -4.209 1.00 0.00 O ATOM 80 CB TYR A 390 7.482 6.480 -4.568 1.00 0.00 C ATOM 81 CG TYR A 390 6.570 7.686 -4.681 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.835 8.854 -3.979 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.429 7.643 -5.476 1.00 0.00 C ATOM 84 CE1 TYR A 390 5.991 9.944 -4.070 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.579 8.727 -5.565 1.00 0.00 C ATOM 86 CZ TYR A 390 4.864 9.875 -4.863 1.00 0.00 C ATOM 87 OH TYR A 390 4.006 10.948 -4.937 1.00 0.00 O ATOM 0 H TYR A 390 7.832 3.750 -4.146 1.00 0.00 H new ATOM 0 HA TYR A 390 7.337 6.139 -2.468 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.513 6.821 -4.474 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.421 5.899 -5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.713 8.911 -3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.204 6.746 -6.033 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.213 10.848 -3.522 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.695 8.674 -6.183 1.00 0.00 H new ATOM 0 HH TYR A 390 3.264 10.733 -5.540 1.00 0.00 H new ATOM 97 N PHE A 391 4.938 5.776 -2.505 1.00 0.00 N ATOM 98 CA PHE A 391 3.598 5.361 -2.135 1.00 0.00 C ATOM 99 C PHE A 391 2.552 6.048 -2.979 1.00 0.00 C ATOM 100 O PHE A 391 2.279 7.242 -2.817 1.00 0.00 O ATOM 101 CB PHE A 391 3.522 5.680 -0.644 1.00 0.00 C ATOM 102 CG PHE A 391 4.843 5.402 -0.112 1.00 0.00 C ATOM 103 CD1 PHE A 391 5.448 4.218 -0.439 1.00 0.00 C ATOM 104 CD2 PHE A 391 5.504 6.323 0.596 1.00 0.00 C ATOM 105 CE1 PHE A 391 6.721 3.958 -0.073 1.00 0.00 C ATOM 106 CE2 PHE A 391 6.783 6.069 0.992 1.00 0.00 C ATOM 107 CZ PHE A 391 7.391 4.888 0.641 1.00 0.00 C ATOM 0 H PHE A 391 5.263 6.593 -1.988 1.00 0.00 H new ATOM 0 HA PHE A 391 3.397 4.305 -2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 391 3.246 6.722 -0.481 1.00 0.00 H new ATOM 0 HB3 PHE A 391 2.766 5.069 -0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 391 4.896 3.478 -1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 391 5.029 7.259 0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 391 7.194 3.026 -0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 391 7.319 6.797 1.583 1.00 0.00 H new ATOM 0 HZ PHE A 391 8.412 4.702 0.938 1.00 0.00 H new ATOM 117 N PRO A 392 1.968 5.281 -3.907 1.00 0.00 N ATOM 118 CA PRO A 392 1.057 5.804 -4.898 1.00 0.00 C ATOM 119 C PRO A 392 -0.319 6.050 -4.337 1.00 0.00 C ATOM 120 O PRO A 392 -0.902 5.213 -3.655 1.00 0.00 O ATOM 121 CB PRO A 392 1.009 4.716 -5.956 1.00 0.00 C ATOM 122 CG PRO A 392 1.257 3.459 -5.211 1.00 0.00 C ATOM 123 CD PRO A 392 2.134 3.820 -4.039 1.00 0.00 C ATOM 0 HA PRO A 392 1.389 6.770 -5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.042 4.695 -6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.765 4.877 -6.725 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.320 3.018 -4.872 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.745 2.721 -5.848 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.824 3.299 -3.133 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.175 3.551 -4.221 1.00 0.00 H new ATOM 131 N TYR A 393 -0.784 7.233 -4.614 1.00 0.00 N ATOM 132 CA TYR A 393 -2.137 7.656 -4.282 1.00 0.00 C ATOM 133 C TYR A 393 -3.174 6.654 -4.790 1.00 0.00 C ATOM 134 O TYR A 393 -3.422 6.555 -5.995 1.00 0.00 O ATOM 135 CB TYR A 393 -2.398 9.041 -4.886 1.00 0.00 C ATOM 136 CG TYR A 393 -3.793 9.587 -4.650 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.122 10.224 -3.461 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.777 9.474 -5.626 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.392 10.729 -3.249 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.048 9.980 -5.423 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.350 10.606 -4.233 1.00 0.00 C ATOM 142 OH TYR A 393 -7.615 11.114 -4.026 1.00 0.00 O ATOM 0 H TYR A 393 -0.234 7.952 -5.085 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.229 7.705 -3.197 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.674 9.744 -4.474 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.219 8.993 -5.960 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.374 10.327 -2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.545 8.982 -6.559 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -5.632 11.218 -2.316 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.800 9.885 -6.193 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.169 10.945 -4.817 1.00 0.00 H new ATOM 152 N LEU A 394 -3.745 5.891 -3.869 1.00 0.00 N ATOM 153 CA LEU A 394 -4.889 5.048 -4.181 1.00 0.00 C ATOM 154 C LEU A 394 -6.098 5.931 -4.426 1.00 0.00 C ATOM 155 O LEU A 394 -6.374 6.852 -3.652 1.00 0.00 O ATOM 156 CB LEU A 394 -5.196 4.053 -3.050 1.00 0.00 C ATOM 157 CG LEU A 394 -4.260 2.840 -2.940 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.907 3.227 -2.364 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.904 1.754 -2.095 1.00 0.00 C ATOM 0 H LEU A 394 -3.434 5.839 -2.899 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.651 4.467 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.170 4.592 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.215 3.689 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.093 2.456 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.272 2.343 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.435 3.968 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.043 3.648 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -4.230 0.900 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -5.104 2.141 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.840 1.441 -2.557 1.00 0.00 H new ATOM 171 N GLU A 395 -6.814 5.649 -5.497 1.00 0.00 N ATOM 172 CA GLU A 395 -7.905 6.504 -5.940 1.00 0.00 C ATOM 173 C GLU A 395 -9.176 6.239 -5.143 1.00 0.00 C ATOM 174 O GLU A 395 -10.078 7.075 -5.097 1.00 0.00 O ATOM 175 CB GLU A 395 -8.161 6.265 -7.424 1.00 0.00 C ATOM 176 CG GLU A 395 -6.908 6.398 -8.271 1.00 0.00 C ATOM 177 CD GLU A 395 -7.094 5.845 -9.663 1.00 0.00 C ATOM 178 OE1 GLU A 395 -7.043 4.602 -9.822 1.00 0.00 O ATOM 179 OE2 GLU A 395 -7.290 6.644 -10.603 1.00 0.00 O ATOM 0 H GLU A 395 -6.660 4.828 -6.083 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.619 7.543 -5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -8.580 5.268 -7.559 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -8.909 6.975 -7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -6.626 7.449 -8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -6.085 5.876 -7.782 1.00 0.00 H new ATOM 186 N ASN A 396 -9.245 5.076 -4.516 1.00 0.00 N ATOM 187 CA ASN A 396 -10.428 4.686 -3.764 1.00 0.00 C ATOM 188 C ASN A 396 -10.071 4.356 -2.318 1.00 0.00 C ATOM 189 O ASN A 396 -10.827 3.674 -1.623 1.00 0.00 O ATOM 190 CB ASN A 396 -11.101 3.476 -4.422 1.00 0.00 C ATOM 191 CG ASN A 396 -11.669 3.782 -5.797 1.00 0.00 C ATOM 192 OD1 ASN A 396 -12.133 4.890 -6.069 1.00 0.00 O ATOM 193 ND2 ASN A 396 -11.622 2.798 -6.681 1.00 0.00 N ATOM 0 H ASN A 396 -8.495 4.384 -4.513 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.121 5.527 -3.766 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -10.376 2.667 -4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -11.903 3.118 -3.776 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -11.978 2.944 -7.626 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -11.230 1.894 -6.417 1.00 0.00 H new ATOM 200 N GLY A 397 -8.934 4.857 -1.853 1.00 0.00 N ATOM 201 CA GLY A 397 -8.502 4.555 -0.503 1.00 0.00 C ATOM 202 C GLY A 397 -7.985 5.771 0.241 1.00 0.00 C ATOM 203 O GLY A 397 -8.126 6.901 -0.228 1.00 0.00 O ATOM 0 H GLY A 397 -8.307 5.463 -2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.336 4.124 0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.719 3.798 -0.539 1.00 0.00 H new ATOM 207 N TYR A 398 -7.395 5.532 1.404 1.00 0.00 N ATOM 208 CA TYR A 398 -6.834 6.584 2.237 1.00 0.00 C ATOM 209 C TYR A 398 -5.314 6.492 2.231 1.00 0.00 C ATOM 210 O TYR A 398 -4.741 5.532 2.750 1.00 0.00 O ATOM 211 CB TYR A 398 -7.324 6.457 3.683 1.00 0.00 C ATOM 212 CG TYR A 398 -8.825 6.529 3.860 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.472 7.751 4.008 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.594 5.372 3.900 1.00 0.00 C ATOM 215 CE1 TYR A 398 -10.841 7.814 4.189 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.962 5.430 4.083 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.578 6.651 4.228 1.00 0.00 C ATOM 218 OH TYR A 398 -12.939 6.706 4.411 1.00 0.00 O ATOM 0 H TYR A 398 -7.292 4.597 1.798 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.158 7.542 1.831 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.971 5.509 4.088 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.865 7.248 4.277 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -8.896 8.664 3.981 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.114 4.411 3.786 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.330 8.770 4.299 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.545 4.521 4.112 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.306 5.797 4.413 1.00 0.00 H new ATOM 228 N ASN A 399 -4.661 7.478 1.649 1.00 0.00 N ATOM 229 CA ASN A 399 -3.208 7.479 1.604 1.00 0.00 C ATOM 230 C ASN A 399 -2.641 8.297 2.745 1.00 0.00 C ATOM 231 O ASN A 399 -2.341 9.478 2.587 1.00 0.00 O ATOM 232 CB ASN A 399 -2.687 8.032 0.283 1.00 0.00 C ATOM 233 CG ASN A 399 -3.299 7.348 -0.915 1.00 0.00 C ATOM 234 OD1 ASN A 399 -2.744 6.387 -1.433 1.00 0.00 O ATOM 235 ND2 ASN A 399 -4.449 7.827 -1.358 1.00 0.00 N ATOM 0 H ASN A 399 -5.105 8.282 1.205 1.00 0.00 H new ATOM 0 HA ASN A 399 -2.883 6.443 1.699 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.897 9.100 0.233 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -1.604 7.918 0.248 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -4.907 7.394 -2.160 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -4.878 8.630 -0.898 1.00 0.00 H new ATOM 242 N GLN A 400 -2.501 7.663 3.895 1.00 0.00 N ATOM 243 CA GLN A 400 -1.918 8.313 5.057 1.00 0.00 C ATOM 244 C GLN A 400 -0.439 8.621 4.828 1.00 0.00 C ATOM 245 O GLN A 400 0.127 9.506 5.470 1.00 0.00 O ATOM 246 CB GLN A 400 -2.101 7.433 6.293 1.00 0.00 C ATOM 247 CG GLN A 400 -1.518 6.044 6.133 1.00 0.00 C ATOM 248 CD GLN A 400 -1.636 5.203 7.391 1.00 0.00 C ATOM 249 OE1 GLN A 400 -1.627 5.724 8.505 1.00 0.00 O ATOM 250 NE2 GLN A 400 -1.754 3.893 7.221 1.00 0.00 N ATOM 0 H GLN A 400 -2.784 6.695 4.050 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.433 9.260 5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -1.633 7.919 7.149 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -3.165 7.349 6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -2.025 5.535 5.313 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -0.467 6.127 5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -1.757 3.499 6.280 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -1.842 3.279 8.031 1.00 0.00 H new ATOM 259 N ASN A 401 0.177 7.907 3.890 1.00 0.00 N ATOM 260 CA ASN A 401 1.604 8.043 3.638 1.00 0.00 C ATOM 261 C ASN A 401 1.891 8.261 2.152 1.00 0.00 C ATOM 262 O ASN A 401 2.848 7.715 1.611 1.00 0.00 O ATOM 263 CB ASN A 401 2.351 6.805 4.151 1.00 0.00 C ATOM 264 CG ASN A 401 2.394 6.735 5.670 1.00 0.00 C ATOM 265 OD1 ASN A 401 2.392 7.755 6.351 1.00 0.00 O ATOM 266 ND2 ASN A 401 2.452 5.531 6.207 1.00 0.00 N ATOM 0 H ASN A 401 -0.293 7.227 3.292 1.00 0.00 H new ATOM 0 HA ASN A 401 1.959 8.922 4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.869 5.908 3.763 1.00 0.00 H new ATOM 0 HB3 ASN A 401 3.369 6.813 3.762 1.00 0.00 H new ATOM 0 HD21 ASN A 401 2.497 5.426 7.221 1.00 0.00 H new ATOM 0 HD22 ASN A 401 2.452 4.705 5.608 1.00 0.00 H new ATOM 273 N HIS A 402 1.063 9.065 1.497 1.00 0.00 N ATOM 274 CA HIS A 402 1.277 9.413 0.093 1.00 0.00 C ATOM 275 C HIS A 402 2.472 10.350 -0.070 1.00 0.00 C ATOM 276 O HIS A 402 2.682 11.254 0.739 1.00 0.00 O ATOM 277 CB HIS A 402 0.025 10.076 -0.496 1.00 0.00 C ATOM 278 CG HIS A 402 0.191 10.552 -1.910 1.00 0.00 C ATOM 279 ND1 HIS A 402 0.017 11.864 -2.291 1.00 0.00 N ATOM 280 CD2 HIS A 402 0.520 9.877 -3.035 1.00 0.00 C ATOM 281 CE1 HIS A 402 0.228 11.976 -3.587 1.00 0.00 C ATOM 282 NE2 HIS A 402 0.534 10.786 -4.062 1.00 0.00 N ATOM 0 H HIS A 402 0.235 9.490 1.914 1.00 0.00 H new ATOM 0 HA HIS A 402 1.483 8.488 -0.445 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -0.801 9.366 -0.458 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -0.253 10.923 0.131 1.00 0.00 H new ATOM 0 HD2 HIS A 402 0.732 8.821 -3.110 1.00 0.00 H new ATOM 0 HE1 HIS A 402 0.161 12.888 -4.162 1.00 0.00 H new ATOM 0 HE2 HIS A 402 0.747 10.575 -5.037 1.00 0.00 H new ATOM 291 N GLY A 403 3.249 10.120 -1.122 1.00 0.00 N ATOM 292 CA GLY A 403 4.333 11.024 -1.464 1.00 0.00 C ATOM 293 C GLY A 403 5.523 10.897 -0.537 1.00 0.00 C ATOM 294 O GLY A 403 6.335 11.814 -0.427 1.00 0.00 O ATOM 0 H GLY A 403 3.148 9.320 -1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.654 10.828 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.966 12.050 -1.437 1.00 0.00 H new ATOM 298 N ARG A 404 5.634 9.758 0.124 1.00 0.00 N ATOM 299 CA ARG A 404 6.692 9.545 1.104 1.00 0.00 C ATOM 300 C ARG A 404 7.792 8.680 0.502 1.00 0.00 C ATOM 301 O ARG A 404 7.749 8.376 -0.693 1.00 0.00 O ATOM 302 CB ARG A 404 6.063 8.884 2.342 1.00 0.00 C ATOM 303 CG ARG A 404 4.941 9.728 2.905 1.00 0.00 C ATOM 304 CD ARG A 404 4.635 9.430 4.358 1.00 0.00 C ATOM 305 NE ARG A 404 3.754 10.449 4.932 1.00 0.00 N ATOM 306 CZ ARG A 404 3.656 10.718 6.234 1.00 0.00 C ATOM 307 NH1 ARG A 404 4.401 10.065 7.116 1.00 0.00 N ATOM 308 NH2 ARG A 404 2.813 11.652 6.656 1.00 0.00 N ATOM 0 H ARG A 404 5.005 8.964 0.002 1.00 0.00 H new ATOM 0 HA ARG A 404 7.150 10.490 1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 404 5.681 7.898 2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.827 8.735 3.105 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.203 10.781 2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.041 9.566 2.311 1.00 0.00 H new ATOM 0 HD2 ARG A 404 4.164 8.450 4.440 1.00 0.00 H new ATOM 0 HD3 ARG A 404 5.564 9.386 4.927 1.00 0.00 H new ATOM 0 HE ARG A 404 3.175 10.991 4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 404 5.056 9.350 6.800 1.00 0.00 H new ATOM 0 HH12 ARG A 404 4.319 10.278 8.110 1.00 0.00 H new ATOM 0 HH21 ARG A 404 2.241 12.163 5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 404 2.737 11.858 7.652 1.00 0.00 H new ATOM 322 N LYS A 405 8.766 8.273 1.317 1.00 0.00 N ATOM 323 CA LYS A 405 9.718 7.239 0.913 1.00 0.00 C ATOM 324 C LYS A 405 10.017 6.281 2.070 1.00 0.00 C ATOM 325 O LYS A 405 10.386 6.706 3.164 1.00 0.00 O ATOM 326 CB LYS A 405 11.007 7.852 0.372 1.00 0.00 C ATOM 327 CG LYS A 405 10.819 8.572 -0.953 1.00 0.00 C ATOM 328 CD LYS A 405 12.118 9.153 -1.479 1.00 0.00 C ATOM 329 CE LYS A 405 11.900 9.870 -2.801 1.00 0.00 C ATOM 330 NZ LYS A 405 11.236 8.989 -3.799 1.00 0.00 N ATOM 0 H LYS A 405 8.916 8.642 2.256 1.00 0.00 H new ATOM 0 HA LYS A 405 9.257 6.665 0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 405 11.404 8.553 1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.751 7.065 0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 405 10.410 7.878 -1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 405 10.089 9.372 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 405 12.531 9.848 -0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 405 12.850 8.356 -1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 405 11.291 10.759 -2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 405 12.859 10.208 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 11.359 9.389 -4.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 11.663 8.041 -3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 10.222 8.920 -3.581 1.00 0.00 H new ATOM 344 N PHE A 406 9.835 4.985 1.811 1.00 0.00 N ATOM 345 CA PHE A 406 10.040 3.933 2.818 1.00 0.00 C ATOM 346 C PHE A 406 11.119 2.988 2.313 1.00 0.00 C ATOM 347 O PHE A 406 11.106 2.598 1.144 1.00 0.00 O ATOM 348 CB PHE A 406 8.745 3.120 3.110 1.00 0.00 C ATOM 349 CG PHE A 406 7.610 3.896 3.762 1.00 0.00 C ATOM 350 CD1 PHE A 406 7.759 4.454 5.019 1.00 0.00 C ATOM 351 CD2 PHE A 406 6.396 4.088 3.100 1.00 0.00 C ATOM 352 CE1 PHE A 406 6.726 5.182 5.591 1.00 0.00 C ATOM 353 CE2 PHE A 406 5.377 4.810 3.656 1.00 0.00 C ATOM 354 CZ PHE A 406 5.536 5.361 4.906 1.00 0.00 C ATOM 0 H PHE A 406 9.542 4.632 0.900 1.00 0.00 H new ATOM 0 HA PHE A 406 10.334 4.415 3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.382 2.701 2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.003 2.280 3.755 1.00 0.00 H new ATOM 0 HD1 PHE A 406 8.685 4.322 5.558 1.00 0.00 H new ATOM 0 HD2 PHE A 406 6.258 3.654 2.121 1.00 0.00 H new ATOM 0 HE1 PHE A 406 6.850 5.611 6.574 1.00 0.00 H new ATOM 0 HE2 PHE A 406 4.452 4.947 3.116 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.735 5.932 5.352 1.00 0.00 H new ATOM 364 N VAL A 407 12.053 2.637 3.181 1.00 0.00 N ATOM 365 CA VAL A 407 13.167 1.774 2.800 1.00 0.00 C ATOM 366 C VAL A 407 12.699 0.328 2.610 1.00 0.00 C ATOM 367 O VAL A 407 11.729 -0.111 3.240 1.00 0.00 O ATOM 368 CB VAL A 407 14.298 1.836 3.858 1.00 0.00 C ATOM 369 CG1 VAL A 407 13.826 1.306 5.200 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.539 1.087 3.384 1.00 0.00 C ATOM 0 H VAL A 407 12.065 2.935 4.156 1.00 0.00 H new ATOM 0 HA VAL A 407 13.560 2.137 1.850 1.00 0.00 H new ATOM 0 HB VAL A 407 14.568 2.884 3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 407 14.642 1.363 5.921 1.00 0.00 H new ATOM 0 HG12 VAL A 407 12.987 1.906 5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.510 0.269 5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 407 16.315 1.148 4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.287 0.042 3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.903 1.535 2.460 1.00 0.00 H new ATOM 380 N GLN A 408 13.377 -0.385 1.712 1.00 0.00 N ATOM 381 CA GLN A 408 13.106 -1.795 1.450 1.00 0.00 C ATOM 382 C GLN A 408 13.062 -2.591 2.747 1.00 0.00 C ATOM 383 O GLN A 408 13.999 -2.548 3.550 1.00 0.00 O ATOM 384 CB GLN A 408 14.186 -2.372 0.534 1.00 0.00 C ATOM 385 CG GLN A 408 13.999 -3.846 0.212 1.00 0.00 C ATOM 386 CD GLN A 408 15.109 -4.388 -0.665 1.00 0.00 C ATOM 387 OE1 GLN A 408 16.120 -4.889 -0.173 1.00 0.00 O ATOM 388 NE2 GLN A 408 14.930 -4.288 -1.970 1.00 0.00 N ATOM 0 H GLN A 408 14.132 0.001 1.145 1.00 0.00 H new ATOM 0 HA GLN A 408 12.134 -1.869 0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.199 -1.806 -0.397 1.00 0.00 H new ATOM 0 HB3 GLN A 408 15.159 -2.234 1.005 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.961 -4.416 1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 408 13.041 -3.988 -0.289 1.00 0.00 H new ATOM 0 HE21 GLN A 408 14.077 -3.866 -2.337 1.00 0.00 H new ATOM 0 HE22 GLN A 408 15.645 -4.633 -2.611 1.00 0.00 H new ATOM 397 N GLY A 409 11.974 -3.318 2.936 1.00 0.00 N ATOM 398 CA GLY A 409 11.794 -4.079 4.148 1.00 0.00 C ATOM 399 C GLY A 409 10.647 -3.558 4.984 1.00 0.00 C ATOM 400 O GLY A 409 10.086 -4.292 5.797 1.00 0.00 O ATOM 0 H GLY A 409 11.209 -3.394 2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.612 -5.124 3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.712 -4.048 4.734 1.00 0.00 H new ATOM 404 N LYS A 410 10.282 -2.296 4.785 1.00 0.00 N ATOM 405 CA LYS A 410 9.217 -1.695 5.563 1.00 0.00 C ATOM 406 C LYS A 410 7.853 -2.065 5.020 1.00 0.00 C ATOM 407 O LYS A 410 7.683 -2.332 3.826 1.00 0.00 O ATOM 408 CB LYS A 410 9.356 -0.175 5.613 1.00 0.00 C ATOM 409 CG LYS A 410 10.290 0.311 6.703 1.00 0.00 C ATOM 410 CD LYS A 410 10.019 1.758 7.063 1.00 0.00 C ATOM 411 CE LYS A 410 10.833 2.195 8.271 1.00 0.00 C ATOM 412 NZ LYS A 410 12.294 2.163 8.001 1.00 0.00 N ATOM 0 H LYS A 410 10.708 -1.677 4.095 1.00 0.00 H new ATOM 0 HA LYS A 410 9.305 -2.090 6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.719 0.181 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.371 0.267 5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 410 10.173 -0.313 7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 410 11.323 0.205 6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 410 10.258 2.396 6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 410 8.957 1.889 7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 410 10.540 3.205 8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 410 10.606 1.544 9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 12.813 2.402 8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 12.568 1.211 7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 12.525 2.854 7.258 1.00 0.00 H new ATOM 426 N SER A 411 6.892 -2.080 5.919 1.00 0.00 N ATOM 427 CA SER A 411 5.524 -2.376 5.577 1.00 0.00 C ATOM 428 C SER A 411 4.642 -1.193 5.931 1.00 0.00 C ATOM 429 O SER A 411 5.069 -0.275 6.635 1.00 0.00 O ATOM 430 CB SER A 411 5.057 -3.622 6.331 1.00 0.00 C ATOM 431 OG SER A 411 3.674 -3.879 6.131 1.00 0.00 O ATOM 0 H SER A 411 7.042 -1.886 6.909 1.00 0.00 H new ATOM 0 HA SER A 411 5.454 -2.565 4.506 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.637 -4.484 6.001 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.252 -3.495 7.396 1.00 0.00 H new ATOM 0 HG SER A 411 3.416 -4.683 6.628 1.00 0.00 H new ATOM 437 N ILE A 412 3.424 -1.226 5.446 1.00 0.00 N ATOM 438 CA ILE A 412 2.437 -0.217 5.773 1.00 0.00 C ATOM 439 C ILE A 412 1.036 -0.768 5.555 1.00 0.00 C ATOM 440 O ILE A 412 0.782 -1.503 4.597 1.00 0.00 O ATOM 441 CB ILE A 412 2.627 1.087 4.953 1.00 0.00 C ATOM 442 CG1 ILE A 412 1.606 2.144 5.380 1.00 0.00 C ATOM 443 CG2 ILE A 412 2.506 0.812 3.462 1.00 0.00 C ATOM 444 CD1 ILE A 412 1.713 2.531 6.838 1.00 0.00 C ATOM 0 H ILE A 412 3.086 -1.951 4.814 1.00 0.00 H new ATOM 0 HA ILE A 412 2.574 0.039 6.824 1.00 0.00 H new ATOM 0 HB ILE A 412 3.629 1.468 5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 412 1.738 3.034 4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 412 0.602 1.768 5.185 1.00 0.00 H new ATOM 0 HG21 ILE A 412 2.643 1.741 2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.269 0.095 3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.519 0.403 3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 412 0.960 3.284 7.071 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.552 1.651 7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 412 2.705 2.938 7.035 1.00 0.00 H new ATOM 456 N ASP A 413 0.154 -0.456 6.483 1.00 0.00 N ATOM 457 CA ASP A 413 -1.248 -0.812 6.365 1.00 0.00 C ATOM 458 C ASP A 413 -1.964 0.160 5.444 1.00 0.00 C ATOM 459 O ASP A 413 -1.850 1.380 5.583 1.00 0.00 O ATOM 460 CB ASP A 413 -1.927 -0.841 7.739 1.00 0.00 C ATOM 461 CG ASP A 413 -1.571 0.357 8.597 1.00 0.00 C ATOM 462 OD1 ASP A 413 -0.468 0.363 9.189 1.00 0.00 O ATOM 463 OD2 ASP A 413 -2.391 1.294 8.698 1.00 0.00 O ATOM 0 H ASP A 413 0.386 0.050 7.338 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.308 -1.812 5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -3.008 -0.877 7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.641 -1.754 8.261 1.00 0.00 H new ATOM 468 N VAL A 414 -2.684 -0.396 4.488 1.00 0.00 N ATOM 469 CA VAL A 414 -3.434 0.398 3.535 1.00 0.00 C ATOM 470 C VAL A 414 -4.879 0.527 3.969 1.00 0.00 C ATOM 471 O VAL A 414 -5.589 -0.468 4.118 1.00 0.00 O ATOM 472 CB VAL A 414 -3.378 -0.205 2.115 1.00 0.00 C ATOM 473 CG1 VAL A 414 -4.226 0.607 1.147 1.00 0.00 C ATOM 474 CG2 VAL A 414 -1.945 -0.277 1.628 1.00 0.00 C ATOM 0 H VAL A 414 -2.765 -1.404 4.351 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.971 1.384 3.507 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.784 -1.216 2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -4.170 0.162 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.262 0.610 1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.854 1.631 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.922 -0.704 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.518 0.726 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.362 -0.904 2.303 1.00 0.00 H new ATOM 484 N ALA A 415 -5.309 1.757 4.179 1.00 0.00 N ATOM 485 CA ALA A 415 -6.682 2.017 4.543 1.00 0.00 C ATOM 486 C ALA A 415 -7.471 2.394 3.300 1.00 0.00 C ATOM 487 O ALA A 415 -6.993 3.157 2.467 1.00 0.00 O ATOM 488 CB ALA A 415 -6.765 3.115 5.593 1.00 0.00 C ATOM 0 H ALA A 415 -4.724 2.589 4.103 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.113 1.115 4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -7.809 3.293 5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.218 2.808 6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.328 4.031 5.197 1.00 0.00 H new ATOM 494 N CYS A 416 -8.665 1.850 3.164 1.00 0.00 N ATOM 495 CA CYS A 416 -9.483 2.112 1.997 1.00 0.00 C ATOM 496 C CYS A 416 -10.939 2.289 2.378 1.00 0.00 C ATOM 497 O CYS A 416 -11.332 2.014 3.512 1.00 0.00 O ATOM 498 CB CYS A 416 -9.318 0.991 0.975 1.00 0.00 C ATOM 499 SG CYS A 416 -7.810 1.158 -0.036 1.00 0.00 S ATOM 0 H CYS A 416 -9.090 1.224 3.848 1.00 0.00 H new ATOM 0 HA CYS A 416 -9.146 3.045 1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.294 0.034 1.496 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -10.188 0.975 0.319 1.00 0.00 H new ATOM 504 N HIS A 417 -11.733 2.765 1.429 1.00 0.00 N ATOM 505 CA HIS A 417 -13.141 3.027 1.678 1.00 0.00 C ATOM 506 C HIS A 417 -13.915 1.718 1.772 1.00 0.00 C ATOM 507 O HIS A 417 -13.439 0.675 1.323 1.00 0.00 O ATOM 508 CB HIS A 417 -13.730 3.913 0.573 1.00 0.00 C ATOM 509 CG HIS A 417 -13.171 5.301 0.534 1.00 0.00 C ATOM 510 ND1 HIS A 417 -12.276 5.722 -0.420 1.00 0.00 N ATOM 511 CD2 HIS A 417 -13.391 6.366 1.336 1.00 0.00 C ATOM 512 CE1 HIS A 417 -11.962 6.985 -0.203 1.00 0.00 C ATOM 513 NE2 HIS A 417 -12.626 7.400 0.857 1.00 0.00 N ATOM 0 H HIS A 417 -11.425 2.977 0.480 1.00 0.00 H new ATOM 0 HA HIS A 417 -13.229 3.555 2.627 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.555 3.436 -0.391 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.810 3.972 0.708 1.00 0.00 H new ATOM 0 HD1 HIS A 417 -11.911 5.147 -1.179 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -14.046 6.398 2.194 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -11.278 7.577 -0.793 1.00 0.00 H new ATOM 522 N PRO A 418 -15.117 1.768 2.363 1.00 0.00 N ATOM 523 CA PRO A 418 -15.965 0.591 2.569 1.00 0.00 C ATOM 524 C PRO A 418 -16.291 -0.117 1.259 1.00 0.00 C ATOM 525 O PRO A 418 -16.883 0.471 0.351 1.00 0.00 O ATOM 526 CB PRO A 418 -17.238 1.172 3.195 1.00 0.00 C ATOM 527 CG PRO A 418 -16.812 2.463 3.790 1.00 0.00 C ATOM 528 CD PRO A 418 -15.756 2.989 2.868 1.00 0.00 C ATOM 0 HA PRO A 418 -15.477 -0.161 3.189 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -18.016 1.319 2.446 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.647 0.503 3.952 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -17.649 3.157 3.867 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -16.421 2.322 4.798 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -16.185 3.583 2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -15.046 3.629 3.392 1.00 0.00 H new ATOM 536 N GLY A 419 -15.884 -1.372 1.166 1.00 0.00 N ATOM 537 CA GLY A 419 -16.115 -2.141 -0.038 1.00 0.00 C ATOM 538 C GLY A 419 -14.827 -2.422 -0.781 1.00 0.00 C ATOM 539 O GLY A 419 -14.777 -3.294 -1.646 1.00 0.00 O ATOM 0 H GLY A 419 -15.395 -1.875 1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.599 -3.083 0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.800 -1.599 -0.690 1.00 0.00 H new ATOM 543 N TYR A 420 -13.785 -1.678 -0.443 1.00 0.00 N ATOM 544 CA TYR A 420 -12.484 -1.859 -1.064 1.00 0.00 C ATOM 545 C TYR A 420 -11.515 -2.458 -0.064 1.00 0.00 C ATOM 546 O TYR A 420 -11.393 -1.973 1.063 1.00 0.00 O ATOM 547 CB TYR A 420 -11.927 -0.528 -1.566 1.00 0.00 C ATOM 548 CG TYR A 420 -12.823 0.179 -2.554 1.00 0.00 C ATOM 549 CD1 TYR A 420 -13.894 0.953 -2.125 1.00 0.00 C ATOM 550 CD2 TYR A 420 -12.599 0.067 -3.916 1.00 0.00 C ATOM 551 CE1 TYR A 420 -14.715 1.595 -3.029 1.00 0.00 C ATOM 552 CE2 TYR A 420 -13.415 0.705 -4.827 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.471 1.468 -4.378 1.00 0.00 C ATOM 554 OH TYR A 420 -15.293 2.095 -5.283 1.00 0.00 O ATOM 0 H TYR A 420 -13.817 -0.941 0.261 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.605 -2.531 -1.913 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.756 0.128 -0.712 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.957 -0.704 -2.032 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -14.087 1.054 -1.067 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -11.772 -0.530 -4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -15.544 2.193 -2.681 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -13.227 0.607 -5.886 1.00 0.00 H new ATOM 0 HH TYR A 420 -14.983 1.905 -6.193 1.00 0.00 H new ATOM 564 N ALA A 421 -10.830 -3.508 -0.473 1.00 0.00 N ATOM 565 CA ALA A 421 -9.863 -4.160 0.390 1.00 0.00 C ATOM 566 C ALA A 421 -8.775 -4.819 -0.443 1.00 0.00 C ATOM 567 O ALA A 421 -8.970 -5.091 -1.628 1.00 0.00 O ATOM 568 CB ALA A 421 -10.552 -5.187 1.280 1.00 0.00 C ATOM 0 H ALA A 421 -10.925 -3.928 -1.398 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.402 -3.407 1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.813 -5.667 1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -11.300 -4.690 1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -11.037 -5.940 0.659 1.00 0.00 H new ATOM 574 N LEU A 422 -7.625 -5.054 0.170 1.00 0.00 N ATOM 575 CA LEU A 422 -6.520 -5.685 -0.527 1.00 0.00 C ATOM 576 C LEU A 422 -6.797 -7.161 -0.754 1.00 0.00 C ATOM 577 O LEU A 422 -7.395 -7.839 0.086 1.00 0.00 O ATOM 578 CB LEU A 422 -5.213 -5.515 0.242 1.00 0.00 C ATOM 579 CG LEU A 422 -4.587 -4.127 0.160 1.00 0.00 C ATOM 580 CD1 LEU A 422 -3.520 -3.955 1.228 1.00 0.00 C ATOM 581 CD2 LEU A 422 -3.985 -3.906 -1.214 1.00 0.00 C ATOM 0 H LEU A 422 -7.435 -4.818 1.144 1.00 0.00 H new ATOM 0 HA LEU A 422 -6.419 -5.192 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.393 -5.753 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -4.493 -6.243 -0.131 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.369 -3.387 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -3.086 -2.958 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.968 -4.081 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.739 -4.702 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.541 -2.912 -1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -3.216 -4.656 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.765 -3.991 -1.971 1.00 0.00 H new ATOM 593 N PRO A 423 -6.362 -7.650 -1.914 1.00 0.00 N ATOM 594 CA PRO A 423 -6.528 -9.043 -2.328 1.00 0.00 C ATOM 595 C PRO A 423 -6.041 -10.023 -1.266 1.00 0.00 C ATOM 596 O PRO A 423 -5.005 -9.796 -0.638 1.00 0.00 O ATOM 597 CB PRO A 423 -5.668 -9.135 -3.587 1.00 0.00 C ATOM 598 CG PRO A 423 -5.667 -7.751 -4.126 1.00 0.00 C ATOM 599 CD PRO A 423 -5.667 -6.851 -2.927 1.00 0.00 C ATOM 0 HA PRO A 423 -7.573 -9.305 -2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.658 -9.474 -3.356 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -6.085 -9.842 -4.304 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.790 -7.574 -4.749 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.543 -7.573 -4.750 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.655 -6.595 -2.614 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.185 -5.913 -3.127 1.00 0.00 H new ATOM 607 N LYS A 424 -6.809 -11.096 -1.067 1.00 0.00 N ATOM 608 CA LYS A 424 -6.490 -12.134 -0.083 1.00 0.00 C ATOM 609 C LYS A 424 -6.705 -11.633 1.343 1.00 0.00 C ATOM 610 O LYS A 424 -6.049 -12.095 2.277 1.00 0.00 O ATOM 611 CB LYS A 424 -5.056 -12.650 -0.260 1.00 0.00 C ATOM 612 CG LYS A 424 -4.812 -13.326 -1.601 1.00 0.00 C ATOM 613 CD LYS A 424 -5.730 -14.519 -1.796 1.00 0.00 C ATOM 614 CE LYS A 424 -5.482 -15.594 -0.752 1.00 0.00 C ATOM 615 NZ LYS A 424 -6.477 -16.691 -0.845 1.00 0.00 N ATOM 0 H LYS A 424 -7.671 -11.271 -1.584 1.00 0.00 H new ATOM 0 HA LYS A 424 -7.174 -12.965 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -4.363 -11.816 -0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -4.832 -13.356 0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -4.970 -12.608 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -3.773 -13.651 -1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -6.768 -14.192 -1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -5.578 -14.936 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -4.479 -16.001 -0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -5.521 -15.151 0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -6.275 -17.405 -0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -7.432 -16.307 -0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -6.422 -17.131 -1.786 1.00 0.00 H new ATOM 629 N ALA A 425 -7.628 -10.683 1.489 1.00 0.00 N ATOM 630 CA ALA A 425 -8.031 -10.158 2.797 1.00 0.00 C ATOM 631 C ALA A 425 -6.853 -9.546 3.548 1.00 0.00 C ATOM 632 O ALA A 425 -6.771 -9.617 4.776 1.00 0.00 O ATOM 633 CB ALA A 425 -8.691 -11.247 3.629 1.00 0.00 C ATOM 0 H ALA A 425 -8.119 -10.254 0.704 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.756 -9.363 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.983 -10.839 4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -9.575 -11.617 3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.988 -12.067 3.778 1.00 0.00 H new ATOM 639 N GLN A 426 -5.946 -8.944 2.801 1.00 0.00 N ATOM 640 CA GLN A 426 -4.784 -8.305 3.374 1.00 0.00 C ATOM 641 C GLN A 426 -5.085 -6.840 3.656 1.00 0.00 C ATOM 642 O GLN A 426 -6.030 -6.280 3.099 1.00 0.00 O ATOM 643 CB GLN A 426 -3.603 -8.440 2.412 1.00 0.00 C ATOM 644 CG GLN A 426 -3.179 -9.884 2.175 1.00 0.00 C ATOM 645 CD GLN A 426 -2.096 -10.025 1.120 1.00 0.00 C ATOM 646 OE1 GLN A 426 -2.095 -9.134 0.138 1.00 0.00 O flip ATOM 647 NE2 GLN A 426 -1.272 -10.938 1.181 1.00 0.00 N flip ATOM 0 H GLN A 426 -5.997 -8.886 1.784 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.526 -8.789 4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.868 -7.985 1.457 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.755 -7.880 2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.821 -10.309 3.113 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -4.049 -10.466 1.873 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -1.305 -11.604 1.953 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -0.556 -11.028 0.460 1.00 0.00 H new ATOM 656 N THR A 427 -4.293 -6.223 4.518 1.00 0.00 N ATOM 657 CA THR A 427 -4.477 -4.818 4.840 1.00 0.00 C ATOM 658 C THR A 427 -3.141 -4.119 4.822 1.00 0.00 C ATOM 659 O THR A 427 -3.027 -2.951 5.173 1.00 0.00 O ATOM 660 CB THR A 427 -5.128 -4.616 6.225 1.00 0.00 C ATOM 661 OG1 THR A 427 -4.463 -5.426 7.205 1.00 0.00 O ATOM 662 CG2 THR A 427 -6.610 -4.956 6.191 1.00 0.00 C ATOM 0 H THR A 427 -3.518 -6.672 5.006 1.00 0.00 H new ATOM 0 HA THR A 427 -5.145 -4.397 4.089 1.00 0.00 H new ATOM 0 HB THR A 427 -5.026 -3.565 6.496 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.882 -5.290 8.081 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.041 -4.804 7.181 1.00 0.00 H new ATOM 0 HG22 THR A 427 -7.115 -4.311 5.472 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.738 -5.997 5.896 1.00 0.00 H new ATOM 670 N THR A 428 -2.130 -4.850 4.402 1.00 0.00 N ATOM 671 CA THR A 428 -0.780 -4.384 4.470 1.00 0.00 C ATOM 672 C THR A 428 -0.036 -4.633 3.162 1.00 0.00 C ATOM 673 O THR A 428 -0.396 -5.518 2.383 1.00 0.00 O ATOM 674 CB THR A 428 -0.069 -5.107 5.608 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.750 -6.335 5.906 1.00 0.00 O ATOM 676 CG2 THR A 428 0.020 -4.237 6.851 1.00 0.00 C ATOM 0 H THR A 428 -2.232 -5.784 4.005 1.00 0.00 H new ATOM 0 HA THR A 428 -0.791 -3.309 4.647 1.00 0.00 H new ATOM 0 HB THR A 428 0.949 -5.328 5.286 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.288 -6.796 6.637 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.533 -4.784 7.642 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.575 -3.328 6.620 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.984 -3.974 7.184 1.00 0.00 H new ATOM 684 N VAL A 429 0.994 -3.840 2.930 1.00 0.00 N ATOM 685 CA VAL A 429 1.829 -3.973 1.753 1.00 0.00 C ATOM 686 C VAL A 429 3.248 -3.565 2.097 1.00 0.00 C ATOM 687 O VAL A 429 3.452 -2.646 2.889 1.00 0.00 O ATOM 688 CB VAL A 429 1.278 -3.121 0.590 1.00 0.00 C ATOM 689 CG1 VAL A 429 1.106 -1.666 1.000 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.149 -3.227 -0.628 1.00 0.00 C ATOM 0 H VAL A 429 1.275 -3.084 3.555 1.00 0.00 H new ATOM 0 HA VAL A 429 1.826 -5.013 1.428 1.00 0.00 H new ATOM 0 HB VAL A 429 0.295 -3.519 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.716 -1.094 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.408 -1.603 1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 429 2.070 -1.257 1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.732 -2.615 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.153 -2.877 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.195 -4.266 -0.953 1.00 0.00 H new ATOM 700 N THR A 430 4.235 -4.265 1.548 1.00 0.00 N ATOM 701 CA THR A 430 5.603 -3.993 1.928 1.00 0.00 C ATOM 702 C THR A 430 6.519 -3.761 0.738 1.00 0.00 C ATOM 703 O THR A 430 6.277 -4.264 -0.356 1.00 0.00 O ATOM 704 CB THR A 430 6.201 -5.111 2.804 1.00 0.00 C ATOM 705 OG1 THR A 430 6.774 -6.145 1.986 1.00 0.00 O ATOM 706 CG2 THR A 430 5.153 -5.734 3.715 1.00 0.00 C ATOM 0 H THR A 430 4.113 -5.005 0.857 1.00 0.00 H new ATOM 0 HA THR A 430 5.549 -3.071 2.507 1.00 0.00 H new ATOM 0 HB THR A 430 6.975 -4.651 3.419 1.00 0.00 H new ATOM 0 HG1 THR A 430 6.190 -6.316 1.218 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.613 -6.518 4.316 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.740 -4.968 4.372 1.00 0.00 H new ATOM 0 HG23 THR A 430 4.354 -6.163 3.110 1.00 0.00 H new ATOM 714 N CYS A 431 7.571 -2.990 0.985 1.00 0.00 N ATOM 715 CA CYS A 431 8.555 -2.647 -0.029 1.00 0.00 C ATOM 716 C CYS A 431 9.541 -3.798 -0.201 1.00 0.00 C ATOM 717 O CYS A 431 10.436 -3.987 0.626 1.00 0.00 O ATOM 718 CB CYS A 431 9.294 -1.368 0.393 1.00 0.00 C ATOM 719 SG CYS A 431 10.368 -0.628 -0.886 1.00 0.00 S ATOM 0 H CYS A 431 7.765 -2.584 1.900 1.00 0.00 H new ATOM 0 HA CYS A 431 8.055 -2.472 -0.982 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.556 -0.626 0.698 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.902 -1.592 1.269 1.00 0.00 H new ATOM 724 N MET A 432 9.349 -4.583 -1.256 1.00 0.00 N ATOM 725 CA MET A 432 10.236 -5.697 -1.556 1.00 0.00 C ATOM 726 C MET A 432 11.437 -5.187 -2.351 1.00 0.00 C ATOM 727 O MET A 432 11.827 -4.027 -2.216 1.00 0.00 O ATOM 728 CB MET A 432 9.493 -6.800 -2.332 1.00 0.00 C ATOM 729 CG MET A 432 9.174 -6.432 -3.768 1.00 0.00 C ATOM 730 SD MET A 432 8.378 -7.767 -4.679 1.00 0.00 S ATOM 731 CE MET A 432 8.078 -6.976 -6.259 1.00 0.00 C ATOM 0 H MET A 432 8.583 -4.466 -1.919 1.00 0.00 H new ATOM 0 HA MET A 432 10.586 -6.135 -0.621 1.00 0.00 H new ATOM 0 HB2 MET A 432 10.099 -7.706 -2.325 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.564 -7.034 -1.812 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.525 -5.556 -3.777 1.00 0.00 H new ATOM 0 HG3 MET A 432 10.095 -6.151 -4.278 1.00 0.00 H new ATOM 0 HE1 MET A 432 7.588 -7.680 -6.931 1.00 0.00 H new ATOM 0 HE2 MET A 432 7.437 -6.106 -6.115 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.026 -6.659 -6.693 1.00 0.00 H new ATOM 741 N GLU A 433 12.016 -6.046 -3.177 1.00 0.00 N ATOM 742 CA GLU A 433 13.184 -5.675 -3.960 1.00 0.00 C ATOM 743 C GLU A 433 12.881 -4.488 -4.869 1.00 0.00 C ATOM 744 O GLU A 433 13.582 -3.478 -4.845 1.00 0.00 O ATOM 745 CB GLU A 433 13.673 -6.855 -4.791 1.00 0.00 C ATOM 746 CG GLU A 433 15.030 -6.610 -5.424 1.00 0.00 C ATOM 747 CD GLU A 433 16.117 -6.401 -4.392 1.00 0.00 C ATOM 748 OE1 GLU A 433 16.698 -7.400 -3.925 1.00 0.00 O ATOM 749 OE2 GLU A 433 16.392 -5.238 -4.035 1.00 0.00 O ATOM 0 H GLU A 433 11.696 -7.004 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 433 13.971 -5.385 -3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 433 13.728 -7.741 -4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.945 -7.067 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 433 15.291 -7.458 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 433 14.974 -5.735 -6.071 1.00 0.00 H new ATOM 756 N ASN A 434 11.825 -4.607 -5.656 1.00 0.00 N ATOM 757 CA ASN A 434 11.451 -3.542 -6.568 1.00 0.00 C ATOM 758 C ASN A 434 9.999 -3.137 -6.343 1.00 0.00 C ATOM 759 O ASN A 434 9.127 -3.370 -7.183 1.00 0.00 O ATOM 760 CB ASN A 434 11.690 -3.970 -8.023 1.00 0.00 C ATOM 761 CG ASN A 434 11.516 -2.840 -9.011 1.00 0.00 C ATOM 762 OD1 ASN A 434 12.408 -2.007 -9.185 1.00 0.00 O ATOM 763 ND2 ASN A 434 10.397 -2.831 -9.701 1.00 0.00 N ATOM 0 H ASN A 434 11.216 -5.425 -5.681 1.00 0.00 H new ATOM 0 HA ASN A 434 12.078 -2.673 -6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 434 12.698 -4.373 -8.116 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.000 -4.775 -8.276 1.00 0.00 H new ATOM 0 HD21 ASN A 434 10.242 -2.116 -10.412 1.00 0.00 H new ATOM 0 HD22 ASN A 434 9.684 -3.539 -9.526 1.00 0.00 H new ATOM 770 N GLY A 435 9.739 -2.581 -5.168 1.00 0.00 N ATOM 771 CA GLY A 435 8.450 -1.965 -4.909 1.00 0.00 C ATOM 772 C GLY A 435 7.576 -2.762 -3.962 1.00 0.00 C ATOM 773 O GLY A 435 8.006 -3.764 -3.404 1.00 0.00 O ATOM 0 H GLY A 435 10.396 -2.545 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 435 8.609 -0.970 -4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.923 -1.835 -5.854 1.00 0.00 H new ATOM 777 N TRP A 436 6.348 -2.296 -3.780 1.00 0.00 N ATOM 778 CA TRP A 436 5.356 -2.975 -2.953 1.00 0.00 C ATOM 779 C TRP A 436 5.099 -4.383 -3.489 1.00 0.00 C ATOM 780 O TRP A 436 4.743 -4.556 -4.656 1.00 0.00 O ATOM 781 CB TRP A 436 4.059 -2.173 -2.983 1.00 0.00 C ATOM 782 CG TRP A 436 4.176 -0.811 -2.388 1.00 0.00 C ATOM 783 CD1 TRP A 436 3.980 0.379 -3.024 1.00 0.00 C ATOM 784 CD2 TRP A 436 4.512 -0.497 -1.038 1.00 0.00 C ATOM 785 NE1 TRP A 436 4.154 1.413 -2.143 1.00 0.00 N ATOM 786 CE2 TRP A 436 4.487 0.896 -0.915 1.00 0.00 C ATOM 787 CE3 TRP A 436 4.827 -1.261 0.082 1.00 0.00 C ATOM 788 CZ2 TRP A 436 4.762 1.535 0.287 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.105 -0.623 1.272 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.069 0.764 1.366 1.00 0.00 C ATOM 0 H TRP A 436 6.009 -1.432 -4.203 1.00 0.00 H new ATOM 0 HA TRP A 436 5.726 -3.051 -1.930 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.725 -2.080 -4.016 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.288 -2.727 -2.448 1.00 0.00 H new ATOM 0 HD1 TRP A 436 3.725 0.490 -4.068 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.053 2.404 -2.363 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.853 -2.339 0.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 4.733 2.612 0.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.354 -1.209 2.144 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.288 1.238 2.311 1.00 0.00 H new ATOM 801 N SER A 437 5.269 -5.380 -2.631 1.00 0.00 N ATOM 802 CA SER A 437 5.164 -6.771 -3.044 1.00 0.00 C ATOM 803 C SER A 437 3.703 -7.263 -3.100 1.00 0.00 C ATOM 804 O SER A 437 3.305 -7.876 -4.091 1.00 0.00 O ATOM 805 CB SER A 437 6.049 -7.654 -2.146 1.00 0.00 C ATOM 806 OG SER A 437 5.967 -7.273 -0.780 1.00 0.00 O ATOM 0 H SER A 437 5.481 -5.250 -1.642 1.00 0.00 H new ATOM 0 HA SER A 437 5.533 -6.849 -4.067 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.747 -8.696 -2.251 1.00 0.00 H new ATOM 0 HB3 SER A 437 7.085 -7.588 -2.480 1.00 0.00 H new ATOM 0 HG SER A 437 6.541 -7.857 -0.242 1.00 0.00 H new ATOM 812 N PRO A 438 2.867 -7.008 -2.064 1.00 0.00 N ATOM 813 CA PRO A 438 1.432 -7.308 -2.127 1.00 0.00 C ATOM 814 C PRO A 438 0.724 -6.452 -3.168 1.00 0.00 C ATOM 815 O PRO A 438 -0.348 -6.808 -3.656 1.00 0.00 O ATOM 816 CB PRO A 438 0.918 -6.935 -0.733 1.00 0.00 C ATOM 817 CG PRO A 438 2.117 -6.900 0.134 1.00 0.00 C ATOM 818 CD PRO A 438 3.233 -6.458 -0.754 1.00 0.00 C ATOM 0 HA PRO A 438 1.250 -8.346 -2.404 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.415 -5.968 -0.746 1.00 0.00 H new ATOM 0 HB3 PRO A 438 0.194 -7.666 -0.373 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.980 -6.210 0.967 1.00 0.00 H new ATOM 0 HG3 PRO A 438 2.321 -7.881 0.563 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.316 -5.372 -0.784 1.00 0.00 H new ATOM 0 HD3 PRO A 438 4.194 -6.842 -0.412 1.00 0.00 H new ATOM 826 N THR A 439 1.354 -5.329 -3.504 1.00 0.00 N ATOM 827 CA THR A 439 0.774 -4.326 -4.388 1.00 0.00 C ATOM 828 C THR A 439 -0.418 -3.640 -3.713 1.00 0.00 C ATOM 829 O THR A 439 -1.480 -4.239 -3.533 1.00 0.00 O ATOM 830 CB THR A 439 0.336 -4.934 -5.735 1.00 0.00 C ATOM 831 OG1 THR A 439 1.408 -5.706 -6.295 1.00 0.00 O ATOM 832 CG2 THR A 439 -0.067 -3.842 -6.715 1.00 0.00 C ATOM 0 H THR A 439 2.287 -5.090 -3.168 1.00 0.00 H new ATOM 0 HA THR A 439 1.548 -3.586 -4.590 1.00 0.00 H new ATOM 0 HB THR A 439 -0.524 -5.578 -5.555 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.122 -6.091 -7.150 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.372 -4.294 -7.659 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.898 -3.270 -6.301 1.00 0.00 H new ATOM 0 HG23 THR A 439 0.780 -3.178 -6.888 1.00 0.00 H new ATOM 840 N PRO A 440 -0.249 -2.368 -3.327 1.00 0.00 N ATOM 841 CA PRO A 440 -1.261 -1.619 -2.590 1.00 0.00 C ATOM 842 C PRO A 440 -2.397 -1.159 -3.492 1.00 0.00 C ATOM 843 O PRO A 440 -2.444 -0.014 -3.939 1.00 0.00 O ATOM 844 CB PRO A 440 -0.489 -0.427 -2.039 1.00 0.00 C ATOM 845 CG PRO A 440 0.627 -0.217 -3.001 1.00 0.00 C ATOM 846 CD PRO A 440 0.941 -1.555 -3.607 1.00 0.00 C ATOM 0 HA PRO A 440 -1.738 -2.220 -1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.123 0.457 -1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.113 -0.629 -1.036 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.342 0.498 -3.772 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.501 0.192 -2.494 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.124 -1.473 -4.678 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.835 -1.993 -3.163 1.00 0.00 H new ATOM 854 N ARG A 441 -3.301 -2.077 -3.769 1.00 0.00 N ATOM 855 CA ARG A 441 -4.446 -1.800 -4.609 1.00 0.00 C ATOM 856 C ARG A 441 -5.678 -2.479 -4.035 1.00 0.00 C ATOM 857 O ARG A 441 -5.898 -3.675 -4.230 1.00 0.00 O ATOM 858 CB ARG A 441 -4.190 -2.289 -6.039 1.00 0.00 C ATOM 859 CG ARG A 441 -3.686 -3.723 -6.099 1.00 0.00 C ATOM 860 CD ARG A 441 -3.640 -4.253 -7.515 1.00 0.00 C ATOM 861 NE ARG A 441 -3.122 -5.618 -7.560 1.00 0.00 N ATOM 862 CZ ARG A 441 -3.080 -6.360 -8.661 1.00 0.00 C ATOM 863 NH1 ARG A 441 -3.512 -5.868 -9.814 1.00 0.00 N ATOM 864 NH2 ARG A 441 -2.599 -7.591 -8.606 1.00 0.00 N ATOM 0 H ARG A 441 -3.262 -3.034 -3.418 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.612 -0.723 -4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -5.113 -2.210 -6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.461 -1.634 -6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.689 -3.775 -5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -4.333 -4.359 -5.495 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -4.641 -4.228 -7.946 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.013 -3.605 -8.127 1.00 0.00 H new ATOM 0 HE ARG A 441 -2.771 -6.026 -6.694 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.878 -4.917 -9.858 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -3.478 -6.441 -10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -2.262 -7.968 -7.720 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -2.565 -8.164 -9.449 1.00 0.00 H new ATOM 878 N CYS A 442 -6.470 -1.728 -3.301 1.00 0.00 N ATOM 879 CA CYS A 442 -7.650 -2.290 -2.686 1.00 0.00 C ATOM 880 C CYS A 442 -8.772 -2.418 -3.702 1.00 0.00 C ATOM 881 O CYS A 442 -9.304 -1.423 -4.203 1.00 0.00 O ATOM 882 CB CYS A 442 -8.076 -1.460 -1.479 1.00 0.00 C ATOM 883 SG CYS A 442 -8.299 0.313 -1.812 1.00 0.00 S ATOM 0 H CYS A 442 -6.320 -0.736 -3.117 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.413 -3.292 -2.328 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -9.012 -1.863 -1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -7.329 -1.577 -0.694 1.00 0.00 H new ATOM 888 N ILE A 443 -9.106 -3.656 -4.018 1.00 0.00 N ATOM 889 CA ILE A 443 -10.123 -3.949 -4.993 1.00 0.00 C ATOM 890 C ILE A 443 -11.500 -3.935 -4.354 1.00 0.00 C ATOM 891 O ILE A 443 -11.678 -4.386 -3.219 1.00 0.00 O ATOM 892 CB ILE A 443 -9.884 -5.314 -5.664 1.00 0.00 C ATOM 893 CG1 ILE A 443 -9.506 -6.378 -4.628 1.00 0.00 C ATOM 894 CG2 ILE A 443 -8.807 -5.194 -6.733 1.00 0.00 C ATOM 895 CD1 ILE A 443 -9.425 -7.781 -5.198 1.00 0.00 C ATOM 0 H ILE A 443 -8.676 -4.482 -3.602 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.071 -3.173 -5.756 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.813 -5.629 -6.140 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -8.543 -6.118 -4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -10.239 -6.364 -3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.648 -6.166 -7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -9.124 -4.476 -7.489 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.877 -4.854 -6.276 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -9.153 -8.480 -4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -10.393 -8.062 -5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -8.671 -7.811 -5.984 1.00 0.00 H new ATOM 907 N ARG A 444 -12.458 -3.388 -5.078 1.00 0.00 N ATOM 908 CA ARG A 444 -13.819 -3.346 -4.647 1.00 0.00 C ATOM 909 C ARG A 444 -14.443 -4.710 -4.764 1.00 0.00 C ATOM 910 O ARG A 444 -14.480 -5.316 -5.834 1.00 0.00 O ATOM 911 CB ARG A 444 -14.573 -2.334 -5.496 1.00 0.00 C ATOM 912 CG ARG A 444 -16.019 -2.208 -5.113 1.00 0.00 C ATOM 913 CD ARG A 444 -16.725 -1.116 -5.902 1.00 0.00 C ATOM 914 NE ARG A 444 -18.102 -0.935 -5.455 1.00 0.00 N ATOM 915 CZ ARG A 444 -18.847 0.133 -5.732 1.00 0.00 C ATOM 916 NH1 ARG A 444 -18.364 1.108 -6.493 1.00 0.00 N ATOM 917 NH2 ARG A 444 -20.081 0.219 -5.255 1.00 0.00 N ATOM 0 H ARG A 444 -12.299 -2.959 -5.990 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.866 -3.044 -3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.092 -1.360 -5.403 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.505 -2.625 -6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.523 -3.160 -5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -16.094 -1.991 -4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -16.180 -0.178 -5.794 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.716 -1.369 -6.962 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.522 -1.676 -4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -17.418 1.041 -6.868 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -18.939 1.924 -6.702 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -20.458 -0.532 -4.677 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -20.654 1.036 -5.466 1.00 0.00 H new ATOM 931 N VAL A 445 -14.910 -5.187 -3.632 1.00 0.00 N ATOM 932 CA VAL A 445 -15.546 -6.474 -3.550 1.00 0.00 C ATOM 933 C VAL A 445 -16.864 -6.458 -4.326 1.00 0.00 C ATOM 934 O VAL A 445 -17.132 -7.370 -5.113 1.00 0.00 O ATOM 935 CB VAL A 445 -15.750 -6.886 -2.073 1.00 0.00 C ATOM 936 CG1 VAL A 445 -16.727 -5.968 -1.347 1.00 0.00 C ATOM 937 CG2 VAL A 445 -16.187 -8.339 -1.974 1.00 0.00 C ATOM 0 H VAL A 445 -14.857 -4.689 -2.743 1.00 0.00 H new ATOM 0 HA VAL A 445 -14.900 -7.223 -4.008 1.00 0.00 H new ATOM 0 HB VAL A 445 -14.787 -6.781 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -16.837 -6.298 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -16.347 -4.947 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -17.696 -6.002 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -16.324 -8.607 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -17.127 -8.474 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -15.423 -8.979 -2.415 1.00 0.00 H new ATOM 947 N LYS A 446 -17.649 -5.398 -4.106 1.00 0.00 N ATOM 948 CA LYS A 446 -18.846 -5.095 -4.875 1.00 0.00 C ATOM 949 C LYS A 446 -19.639 -4.007 -4.155 1.00 0.00 C ATOM 950 O LYS A 446 -20.763 -4.284 -3.685 1.00 0.00 O ATOM 951 CB LYS A 446 -19.726 -6.326 -5.093 1.00 0.00 C ATOM 952 CG LYS A 446 -20.746 -6.114 -6.188 1.00 0.00 C ATOM 953 CD LYS A 446 -21.341 -7.419 -6.676 1.00 0.00 C ATOM 954 CE LYS A 446 -22.213 -7.195 -7.899 1.00 0.00 C ATOM 955 NZ LYS A 446 -21.473 -6.498 -8.984 1.00 0.00 N ATOM 956 OXT LYS A 446 -19.111 -2.888 -4.022 1.00 0.00 O ATOM 0 H LYS A 446 -17.460 -4.716 -3.371 1.00 0.00 H new ATOM 0 HA LYS A 446 -18.533 -4.749 -5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -19.097 -7.180 -5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -20.240 -6.572 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -21.543 -5.468 -5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -20.277 -5.595 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -20.542 -8.119 -6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -21.933 -7.873 -5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -22.578 -8.154 -8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -23.087 -6.607 -7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -21.956 -6.658 -9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -21.442 -5.478 -8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -20.503 -6.870 -9.038 1.00 0.00 H new TER 970 LYS A 446