USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=14 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 -23:sc= 0.274 USER MOD Set 1.2: A 437 SER OG : rot -162:sc= -2.29! USER MOD Set 2.1: A 427 THR OG1 : rot 47:sc= 0.078 USER MOD Set 2.2: A 428 THR OG1 : rot 180:sc= 0.0891 USER MOD Single : A 388 LYS NZ :NH3+ 175:sc= 0.809 (180deg=0.792) USER MOD Single : A 390 TYR OH : rot 180:sc= -0.68 USER MOD Single : A 393 TYR OH : rot -142:sc= 0.83 USER MOD Single : A 396 ASN : amide:sc= 0.976 K(o=0.98,f=-0.6) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= 0.798 K(o=0.8,f=-10!) USER MOD Single : A 400 GLN : amide:sc= 1.12 K(o=1.1,f=-0.071) USER MOD Single : A 401 ASN : amide:sc= -0.189 K(o=-0.19,f=-0.94) USER MOD Single : A 402 HIS : no HD1:sc= -2! C(o=-2!,f=-3.1!) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN : amide:sc= -6.84! C(o=-6.8!,f=-3.9!) USER MOD Single : A 410 LYS NZ :NH3+ -165:sc= -0.0149 (180deg=-0.193) USER MOD Single : A 411 SER OG : rot 180:sc= -2.14! USER MOD Single : A 417 HIS : no HD1:sc= -1.17 K(o=-1.2,f=0.33) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 432 MET CE :methyl -165:sc= -0.113 (180deg=-0.448) USER MOD Single : A 434 ASN : amide:sc= -2.55! K(o=-2.6!,f=-0.15) USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ -147:sc= -1.95! (180deg=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 15.448 -1.202 -7.950 1.00 0.00 N ATOM 2 CA LEU A 386 14.589 -0.385 -7.111 1.00 0.00 C ATOM 3 C LEU A 386 15.104 -0.267 -5.671 1.00 0.00 C ATOM 4 O LEU A 386 15.791 0.700 -5.347 1.00 0.00 O ATOM 5 CB LEU A 386 13.164 -0.922 -7.130 1.00 0.00 C ATOM 6 CG LEU A 386 12.380 -0.568 -8.391 1.00 0.00 C ATOM 7 CD1 LEU A 386 12.914 -1.322 -9.589 1.00 0.00 C ATOM 8 CD2 LEU A 386 10.892 -0.817 -8.196 1.00 0.00 C ATOM 0 HA LEU A 386 14.599 0.621 -7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 386 13.195 -2.007 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 386 12.630 -0.535 -6.262 1.00 0.00 H new ATOM 0 HG LEU A 386 12.513 0.496 -8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 386 12.339 -1.052 -10.475 1.00 0.00 H new ATOM 0 HD12 LEU A 386 13.961 -1.064 -9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 386 12.827 -2.394 -9.412 1.00 0.00 H new ATOM 0 HD21 LEU A 386 10.357 -0.557 -9.109 1.00 0.00 H new ATOM 0 HD22 LEU A 386 10.726 -1.869 -7.966 1.00 0.00 H new ATOM 0 HD23 LEU A 386 10.525 -0.203 -7.373 1.00 0.00 H new ATOM 20 N ARG A 387 14.777 -1.246 -4.812 1.00 0.00 N ATOM 21 CA ARG A 387 15.163 -1.219 -3.409 1.00 0.00 C ATOM 22 C ARG A 387 14.619 0.000 -2.678 1.00 0.00 C ATOM 23 O ARG A 387 15.210 0.493 -1.717 1.00 0.00 O ATOM 24 CB ARG A 387 16.672 -1.296 -3.292 1.00 0.00 C ATOM 25 CG ARG A 387 17.182 -2.675 -2.929 1.00 0.00 C ATOM 26 CD ARG A 387 17.282 -3.591 -4.137 1.00 0.00 C ATOM 27 NE ARG A 387 17.512 -4.977 -3.733 1.00 0.00 N ATOM 28 CZ ARG A 387 17.254 -6.030 -4.501 1.00 0.00 C ATOM 29 NH1 ARG A 387 16.983 -5.863 -5.783 1.00 0.00 N ATOM 30 NH2 ARG A 387 17.330 -7.255 -4.002 1.00 0.00 N ATOM 0 H ARG A 387 14.240 -2.071 -5.078 1.00 0.00 H new ATOM 0 HA ARG A 387 14.719 -2.089 -2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 387 17.118 -0.990 -4.239 1.00 0.00 H new ATOM 0 HB3 ARG A 387 17.006 -0.584 -2.538 1.00 0.00 H new ATOM 0 HG2 ARG A 387 18.163 -2.586 -2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 387 16.517 -3.123 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 387 16.364 -3.528 -4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 387 18.095 -3.258 -4.783 1.00 0.00 H new ATOM 0 HE ARG A 387 17.895 -5.146 -2.803 1.00 0.00 H new ATOM 0 HH11 ARG A 387 16.972 -4.925 -6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 387 16.785 -6.672 -6.372 1.00 0.00 H new ATOM 0 HH21 ARG A 387 17.587 -7.392 -3.025 1.00 0.00 H new ATOM 0 HH22 ARG A 387 17.131 -8.061 -4.595 1.00 0.00 H new ATOM 44 N LYS A 388 13.469 0.445 -3.129 1.00 0.00 N ATOM 45 CA LYS A 388 12.749 1.546 -2.512 1.00 0.00 C ATOM 46 C LYS A 388 11.261 1.296 -2.642 1.00 0.00 C ATOM 47 O LYS A 388 10.848 0.339 -3.297 1.00 0.00 O ATOM 48 CB LYS A 388 13.095 2.897 -3.152 1.00 0.00 C ATOM 49 CG LYS A 388 14.404 3.518 -2.673 1.00 0.00 C ATOM 50 CD LYS A 388 15.561 3.188 -3.599 1.00 0.00 C ATOM 51 CE LYS A 388 15.362 3.800 -4.975 1.00 0.00 C ATOM 52 NZ LYS A 388 16.433 3.399 -5.926 1.00 0.00 N ATOM 0 H LYS A 388 12.998 0.051 -3.944 1.00 0.00 H new ATOM 0 HA LYS A 388 13.045 1.594 -1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.145 2.768 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.283 3.596 -2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 388 14.289 4.600 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.629 3.159 -1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 388 16.491 3.556 -3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 388 15.658 2.106 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 388 14.393 3.494 -5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 388 15.343 4.886 -4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 16.213 3.769 -6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 17.344 3.786 -5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 16.492 2.361 -5.965 1.00 0.00 H new ATOM 66 N CYS A 389 10.464 2.145 -2.023 1.00 0.00 N ATOM 67 CA CYS A 389 9.018 2.021 -2.091 1.00 0.00 C ATOM 68 C CYS A 389 8.353 3.375 -1.856 1.00 0.00 C ATOM 69 O CYS A 389 8.596 4.035 -0.845 1.00 0.00 O ATOM 70 CB CYS A 389 8.548 0.993 -1.059 1.00 0.00 C ATOM 71 SG CYS A 389 9.393 1.161 0.541 1.00 0.00 S ATOM 0 H CYS A 389 10.794 2.932 -1.464 1.00 0.00 H new ATOM 0 HA CYS A 389 8.731 1.679 -3.085 1.00 0.00 H new ATOM 0 HB2 CYS A 389 7.474 1.100 -0.910 1.00 0.00 H new ATOM 0 HB3 CYS A 389 8.717 -0.010 -1.450 1.00 0.00 H new ATOM 76 N TYR A 390 7.547 3.797 -2.815 1.00 0.00 N ATOM 77 CA TYR A 390 6.807 5.045 -2.712 1.00 0.00 C ATOM 78 C TYR A 390 5.328 4.739 -2.549 1.00 0.00 C ATOM 79 O TYR A 390 4.745 4.034 -3.374 1.00 0.00 O ATOM 80 CB TYR A 390 7.042 5.896 -3.968 1.00 0.00 C ATOM 81 CG TYR A 390 6.308 7.224 -3.982 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.875 8.359 -3.416 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.057 7.343 -4.575 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.216 9.575 -3.438 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.391 8.554 -4.600 1.00 0.00 C ATOM 86 CZ TYR A 390 4.973 9.668 -4.032 1.00 0.00 C ATOM 87 OH TYR A 390 4.310 10.878 -4.058 1.00 0.00 O ATOM 0 H TYR A 390 7.387 3.287 -3.684 1.00 0.00 H new ATOM 0 HA TYR A 390 7.153 5.606 -1.844 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.111 6.086 -4.066 1.00 0.00 H new ATOM 0 HB3 TYR A 390 6.739 5.320 -4.842 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.847 8.291 -2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 390 4.597 6.475 -5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.671 10.447 -2.993 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.418 8.628 -5.063 1.00 0.00 H new ATOM 0 HH TYR A 390 3.449 10.770 -4.514 1.00 0.00 H new ATOM 97 N PHE A 391 4.726 5.238 -1.478 1.00 0.00 N ATOM 98 CA PHE A 391 3.311 5.006 -1.243 1.00 0.00 C ATOM 99 C PHE A 391 2.481 5.873 -2.187 1.00 0.00 C ATOM 100 O PHE A 391 2.470 7.105 -2.071 1.00 0.00 O ATOM 101 CB PHE A 391 2.945 5.289 0.213 1.00 0.00 C ATOM 102 CG PHE A 391 1.677 4.605 0.650 1.00 0.00 C ATOM 103 CD1 PHE A 391 1.714 3.317 1.159 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.453 5.244 0.549 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.554 2.680 1.559 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.709 4.612 0.948 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.660 3.329 1.453 1.00 0.00 C ATOM 0 H PHE A 391 5.191 5.800 -0.766 1.00 0.00 H new ATOM 0 HA PHE A 391 3.092 3.957 -1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 391 3.764 4.967 0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 391 2.836 6.365 0.351 1.00 0.00 H new ATOM 0 HD1 PHE A 391 2.661 2.804 1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.406 6.248 0.154 1.00 0.00 H new ATOM 0 HE1 PHE A 391 0.597 1.676 1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.657 5.123 0.864 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.568 2.834 1.764 1.00 0.00 H new ATOM 117 N PRO A 392 1.775 5.231 -3.126 1.00 0.00 N ATOM 118 CA PRO A 392 1.075 5.920 -4.204 1.00 0.00 C ATOM 119 C PRO A 392 -0.295 6.429 -3.793 1.00 0.00 C ATOM 120 O PRO A 392 -0.682 6.371 -2.625 1.00 0.00 O ATOM 121 CB PRO A 392 0.942 4.831 -5.264 1.00 0.00 C ATOM 122 CG PRO A 392 0.855 3.552 -4.501 1.00 0.00 C ATOM 123 CD PRO A 392 1.581 3.771 -3.196 1.00 0.00 C ATOM 0 HA PRO A 392 1.609 6.811 -4.534 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.054 4.985 -5.878 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.799 4.830 -5.938 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -0.185 3.278 -4.323 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.308 2.735 -5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 392 0.998 3.407 -2.350 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.534 3.242 -3.178 1.00 0.00 H new ATOM 131 N TYR A 393 -1.008 6.953 -4.772 1.00 0.00 N ATOM 132 CA TYR A 393 -2.336 7.481 -4.555 1.00 0.00 C ATOM 133 C TYR A 393 -3.390 6.507 -5.064 1.00 0.00 C ATOM 134 O TYR A 393 -3.707 6.469 -6.255 1.00 0.00 O ATOM 135 CB TYR A 393 -2.475 8.843 -5.242 1.00 0.00 C ATOM 136 CG TYR A 393 -3.894 9.369 -5.283 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.565 9.725 -4.118 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.566 9.499 -6.492 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.867 10.190 -4.160 1.00 0.00 C ATOM 140 CE2 TYR A 393 -5.863 9.967 -6.540 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.509 10.309 -5.374 1.00 0.00 C ATOM 142 OH TYR A 393 -7.807 10.764 -5.425 1.00 0.00 O ATOM 0 H TYR A 393 -0.682 7.023 -5.736 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.492 7.614 -3.484 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.845 9.566 -4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.098 8.765 -6.262 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -4.062 9.637 -3.166 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.065 9.229 -7.410 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.378 10.458 -3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.369 10.065 -7.489 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.298 10.276 -6.119 1.00 0.00 H new ATOM 152 N LEU A 394 -3.906 5.704 -4.154 1.00 0.00 N ATOM 153 CA LEU A 394 -4.996 4.800 -4.457 1.00 0.00 C ATOM 154 C LEU A 394 -6.303 5.574 -4.466 1.00 0.00 C ATOM 155 O LEU A 394 -6.689 6.172 -3.458 1.00 0.00 O ATOM 156 CB LEU A 394 -5.075 3.666 -3.424 1.00 0.00 C ATOM 157 CG LEU A 394 -4.009 2.566 -3.529 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.605 3.116 -3.329 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.290 1.482 -2.504 1.00 0.00 C ATOM 0 H LEU A 394 -3.582 5.660 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.818 4.357 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.013 4.107 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.056 3.199 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.059 2.148 -4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -1.881 2.305 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.396 3.867 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -2.530 3.571 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -3.532 0.703 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.267 1.913 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.274 1.051 -2.691 1.00 0.00 H new ATOM 171 N GLU A 395 -6.974 5.567 -5.609 1.00 0.00 N ATOM 172 CA GLU A 395 -8.237 6.276 -5.766 1.00 0.00 C ATOM 173 C GLU A 395 -9.290 5.666 -4.848 1.00 0.00 C ATOM 174 O GLU A 395 -10.172 6.356 -4.340 1.00 0.00 O ATOM 175 CB GLU A 395 -8.698 6.207 -7.226 1.00 0.00 C ATOM 176 CG GLU A 395 -9.955 7.013 -7.523 1.00 0.00 C ATOM 177 CD GLU A 395 -9.828 8.475 -7.141 1.00 0.00 C ATOM 178 OE1 GLU A 395 -8.822 9.111 -7.515 1.00 0.00 O ATOM 179 OE2 GLU A 395 -10.734 8.992 -6.455 1.00 0.00 O ATOM 0 H GLU A 395 -6.663 5.075 -6.446 1.00 0.00 H new ATOM 0 HA GLU A 395 -8.097 7.322 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -7.892 6.563 -7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -8.878 5.165 -7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -10.184 6.940 -8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -10.796 6.575 -6.985 1.00 0.00 H new ATOM 186 N ASN A 396 -9.155 4.370 -4.606 1.00 0.00 N ATOM 187 CA ASN A 396 -10.110 3.642 -3.783 1.00 0.00 C ATOM 188 C ASN A 396 -9.638 3.569 -2.332 1.00 0.00 C ATOM 189 O ASN A 396 -10.133 2.756 -1.551 1.00 0.00 O ATOM 190 CB ASN A 396 -10.321 2.226 -4.330 1.00 0.00 C ATOM 191 CG ASN A 396 -10.861 2.211 -5.748 1.00 0.00 C ATOM 192 OD1 ASN A 396 -11.565 3.124 -6.167 1.00 0.00 O ATOM 193 ND2 ASN A 396 -10.538 1.165 -6.493 1.00 0.00 N ATOM 0 H ASN A 396 -8.391 3.800 -4.969 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.057 4.182 -3.815 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -9.374 1.687 -4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -11.012 1.690 -3.679 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -10.877 1.098 -7.453 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -9.950 0.426 -6.107 1.00 0.00 H new ATOM 200 N GLY A 397 -8.688 4.420 -1.968 1.00 0.00 N ATOM 201 CA GLY A 397 -8.159 4.392 -0.620 1.00 0.00 C ATOM 202 C GLY A 397 -7.945 5.779 -0.042 1.00 0.00 C ATOM 203 O GLY A 397 -8.133 6.780 -0.732 1.00 0.00 O ATOM 0 H GLY A 397 -8.276 5.126 -2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.843 3.838 0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.212 3.852 -0.618 1.00 0.00 H new ATOM 207 N TYR A 398 -7.566 5.826 1.231 1.00 0.00 N ATOM 208 CA TYR A 398 -7.280 7.086 1.917 1.00 0.00 C ATOM 209 C TYR A 398 -5.817 7.460 1.745 1.00 0.00 C ATOM 210 O TYR A 398 -5.471 8.642 1.726 1.00 0.00 O ATOM 211 CB TYR A 398 -7.596 6.966 3.412 1.00 0.00 C ATOM 212 CG TYR A 398 -9.060 6.748 3.721 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.936 7.821 3.800 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.565 5.471 3.932 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.273 7.630 4.083 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.903 5.273 4.212 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.752 6.356 4.287 1.00 0.00 C ATOM 218 OH TYR A 398 -13.085 6.163 4.555 1.00 0.00 O ATOM 0 H TYR A 398 -7.448 4.998 1.815 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.907 7.861 1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.021 6.138 3.828 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.261 7.872 3.917 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.565 8.822 3.637 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.902 4.621 3.876 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.941 8.477 4.144 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.282 4.274 4.371 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.260 5.206 4.672 1.00 0.00 H new ATOM 228 N ASN A 399 -4.976 6.441 1.603 1.00 0.00 N ATOM 229 CA ASN A 399 -3.529 6.620 1.489 1.00 0.00 C ATOM 230 C ASN A 399 -3.000 7.459 2.638 1.00 0.00 C ATOM 231 O ASN A 399 -2.542 8.586 2.444 1.00 0.00 O ATOM 232 CB ASN A 399 -3.133 7.265 0.157 1.00 0.00 C ATOM 233 CG ASN A 399 -3.824 6.628 -1.024 1.00 0.00 C ATOM 234 OD1 ASN A 399 -3.420 5.568 -1.488 1.00 0.00 O ATOM 235 ND2 ASN A 399 -4.843 7.293 -1.546 1.00 0.00 N ATOM 0 H ASN A 399 -5.276 5.467 1.563 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.083 5.626 1.529 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.375 8.327 0.186 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.054 7.188 0.027 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.325 6.926 -2.367 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.146 8.172 -1.127 1.00 0.00 H new ATOM 242 N GLN A 400 -3.082 6.892 3.836 1.00 0.00 N ATOM 243 CA GLN A 400 -2.566 7.530 5.044 1.00 0.00 C ATOM 244 C GLN A 400 -1.135 8.015 4.840 1.00 0.00 C ATOM 245 O GLN A 400 -0.733 9.046 5.370 1.00 0.00 O ATOM 246 CB GLN A 400 -2.582 6.541 6.208 1.00 0.00 C ATOM 247 CG GLN A 400 -3.930 5.899 6.474 1.00 0.00 C ATOM 248 CD GLN A 400 -3.852 4.862 7.576 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.048 5.167 8.750 1.00 0.00 O ATOM 250 NE2 GLN A 400 -3.544 3.630 7.202 1.00 0.00 N ATOM 0 H GLN A 400 -3.507 5.979 3.999 1.00 0.00 H new ATOM 0 HA GLN A 400 -3.206 8.384 5.266 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -1.853 5.755 6.010 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.256 7.058 7.111 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.651 6.669 6.750 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -4.297 5.431 5.560 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -3.389 3.420 6.216 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -3.461 2.891 7.900 1.00 0.00 H new ATOM 259 N ASN A 401 -0.375 7.262 4.058 1.00 0.00 N ATOM 260 CA ASN A 401 1.039 7.539 3.877 1.00 0.00 C ATOM 261 C ASN A 401 1.337 7.978 2.449 1.00 0.00 C ATOM 262 O ASN A 401 2.438 7.765 1.945 1.00 0.00 O ATOM 263 CB ASN A 401 1.863 6.298 4.234 1.00 0.00 C ATOM 264 CG ASN A 401 1.702 5.895 5.685 1.00 0.00 C ATOM 265 OD1 ASN A 401 2.440 6.355 6.552 1.00 0.00 O ATOM 266 ND2 ASN A 401 0.741 5.027 5.959 1.00 0.00 N ATOM 0 H ASN A 401 -0.717 6.453 3.539 1.00 0.00 H new ATOM 0 HA ASN A 401 1.315 8.357 4.542 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.562 5.469 3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.916 6.493 4.029 1.00 0.00 H new ATOM 0 HD21 ASN A 401 0.592 4.717 6.919 1.00 0.00 H new ATOM 0 HD22 ASN A 401 0.149 4.668 5.210 1.00 0.00 H new ATOM 273 N HIS A 402 0.351 8.588 1.799 1.00 0.00 N ATOM 274 CA HIS A 402 0.513 9.061 0.427 1.00 0.00 C ATOM 275 C HIS A 402 1.675 10.042 0.315 1.00 0.00 C ATOM 276 O HIS A 402 1.713 11.053 1.015 1.00 0.00 O ATOM 277 CB HIS A 402 -0.774 9.729 -0.071 1.00 0.00 C ATOM 278 CG HIS A 402 -0.656 10.326 -1.441 1.00 0.00 C ATOM 279 ND1 HIS A 402 -0.984 11.633 -1.722 1.00 0.00 N ATOM 280 CD2 HIS A 402 -0.233 9.787 -2.608 1.00 0.00 C ATOM 281 CE1 HIS A 402 -0.767 11.874 -3.000 1.00 0.00 C ATOM 282 NE2 HIS A 402 -0.311 10.771 -3.561 1.00 0.00 N ATOM 0 H HIS A 402 -0.570 8.767 2.200 1.00 0.00 H new ATOM 0 HA HIS A 402 0.730 8.193 -0.195 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -1.577 8.992 -0.074 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -1.062 10.511 0.632 1.00 0.00 H new ATOM 0 HD2 HIS A 402 0.103 8.772 -2.761 1.00 0.00 H new ATOM 0 HE1 HIS A 402 -0.934 12.815 -3.502 1.00 0.00 H new ATOM 0 HE2 HIS A 402 -0.058 10.666 -4.543 1.00 0.00 H new ATOM 291 N GLY A 403 2.617 9.730 -0.564 1.00 0.00 N ATOM 292 CA GLY A 403 3.718 10.635 -0.824 1.00 0.00 C ATOM 293 C GLY A 403 4.902 10.391 0.083 1.00 0.00 C ATOM 294 O GLY A 403 5.877 11.141 0.060 1.00 0.00 O ATOM 0 H GLY A 403 2.638 8.864 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.033 10.528 -1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.376 11.662 -0.699 1.00 0.00 H new ATOM 298 N ARG A 404 4.824 9.343 0.883 1.00 0.00 N ATOM 299 CA ARG A 404 5.897 9.018 1.807 1.00 0.00 C ATOM 300 C ARG A 404 6.790 7.940 1.222 1.00 0.00 C ATOM 301 O ARG A 404 6.308 6.955 0.658 1.00 0.00 O ATOM 302 CB ARG A 404 5.318 8.585 3.152 1.00 0.00 C ATOM 303 CG ARG A 404 4.418 9.646 3.756 1.00 0.00 C ATOM 304 CD ARG A 404 3.771 9.190 5.050 1.00 0.00 C ATOM 305 NE ARG A 404 2.760 10.142 5.510 1.00 0.00 N ATOM 306 CZ ARG A 404 2.238 10.149 6.734 1.00 0.00 C ATOM 307 NH1 ARG A 404 2.666 9.286 7.648 1.00 0.00 N ATOM 308 NH2 ARG A 404 1.286 11.022 7.041 1.00 0.00 N ATOM 0 H ARG A 404 4.030 8.703 0.912 1.00 0.00 H new ATOM 0 HA ARG A 404 6.507 9.906 1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.753 7.662 3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.132 8.365 3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.000 10.548 3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.641 9.911 3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.311 8.213 4.903 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.536 9.071 5.818 1.00 0.00 H new ATOM 0 HE ARG A 404 2.434 10.847 4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 404 3.397 8.615 7.413 1.00 0.00 H new ATOM 0 HH12 ARG A 404 2.264 9.294 8.585 1.00 0.00 H new ATOM 0 HH21 ARG A 404 0.957 11.685 6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 404 0.884 11.030 7.978 1.00 0.00 H new ATOM 322 N LYS A 405 8.090 8.149 1.338 1.00 0.00 N ATOM 323 CA LYS A 405 9.068 7.249 0.767 1.00 0.00 C ATOM 324 C LYS A 405 9.646 6.326 1.831 1.00 0.00 C ATOM 325 O LYS A 405 9.985 6.762 2.932 1.00 0.00 O ATOM 326 CB LYS A 405 10.187 8.052 0.107 1.00 0.00 C ATOM 327 CG LYS A 405 9.706 8.946 -1.027 1.00 0.00 C ATOM 328 CD LYS A 405 10.831 9.800 -1.593 1.00 0.00 C ATOM 329 CE LYS A 405 11.886 8.959 -2.297 1.00 0.00 C ATOM 330 NZ LYS A 405 12.999 9.794 -2.823 1.00 0.00 N ATOM 0 H LYS A 405 8.493 8.946 1.830 1.00 0.00 H new ATOM 0 HA LYS A 405 8.573 6.634 0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.675 8.668 0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.939 7.363 -0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.284 8.330 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.906 9.592 -0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 405 10.418 10.525 -2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.297 10.366 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 405 12.284 8.219 -1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 405 11.425 8.410 -3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 13.697 9.185 -3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 12.623 10.483 -3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 13.456 10.299 -2.037 1.00 0.00 H new ATOM 344 N PHE A 406 9.745 5.056 1.491 1.00 0.00 N ATOM 345 CA PHE A 406 10.304 4.053 2.382 1.00 0.00 C ATOM 346 C PHE A 406 11.448 3.329 1.684 1.00 0.00 C ATOM 347 O PHE A 406 11.673 3.506 0.482 1.00 0.00 O ATOM 348 CB PHE A 406 9.220 3.050 2.799 1.00 0.00 C ATOM 349 CG PHE A 406 8.079 3.657 3.567 1.00 0.00 C ATOM 350 CD1 PHE A 406 8.145 3.804 4.942 1.00 0.00 C ATOM 351 CD2 PHE A 406 6.934 4.080 2.909 1.00 0.00 C ATOM 352 CE1 PHE A 406 7.092 4.360 5.645 1.00 0.00 C ATOM 353 CE2 PHE A 406 5.878 4.636 3.605 1.00 0.00 C ATOM 354 CZ PHE A 406 5.958 4.777 4.976 1.00 0.00 C ATOM 0 H PHE A 406 9.441 4.688 0.590 1.00 0.00 H new ATOM 0 HA PHE A 406 10.685 4.544 3.277 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.825 2.567 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.678 2.270 3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 406 9.029 3.481 5.472 1.00 0.00 H new ATOM 0 HD2 PHE A 406 6.867 3.973 1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 406 7.156 4.468 6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 406 4.992 4.959 3.078 1.00 0.00 H new ATOM 0 HZ PHE A 406 5.136 5.212 5.524 1.00 0.00 H new ATOM 364 N VAL A 407 12.160 2.513 2.436 1.00 0.00 N ATOM 365 CA VAL A 407 13.274 1.752 1.901 1.00 0.00 C ATOM 366 C VAL A 407 12.915 0.268 1.897 1.00 0.00 C ATOM 367 O VAL A 407 12.081 -0.167 2.695 1.00 0.00 O ATOM 368 CB VAL A 407 14.555 2.004 2.736 1.00 0.00 C ATOM 369 CG1 VAL A 407 14.363 1.557 4.179 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.764 1.320 2.113 1.00 0.00 C ATOM 0 H VAL A 407 11.985 2.359 3.429 1.00 0.00 H new ATOM 0 HA VAL A 407 13.473 2.074 0.879 1.00 0.00 H new ATOM 0 HB VAL A 407 14.743 3.078 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.277 1.745 4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 407 13.540 2.114 4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.135 0.491 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 407 16.647 1.516 2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.588 0.245 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.924 1.709 1.107 1.00 0.00 H new ATOM 380 N GLN A 408 13.512 -0.498 0.985 1.00 0.00 N ATOM 381 CA GLN A 408 13.253 -1.932 0.909 1.00 0.00 C ATOM 382 C GLN A 408 13.448 -2.583 2.278 1.00 0.00 C ATOM 383 O GLN A 408 14.484 -2.401 2.922 1.00 0.00 O ATOM 384 CB GLN A 408 14.169 -2.601 -0.122 1.00 0.00 C ATOM 385 CG GLN A 408 14.003 -4.112 -0.171 1.00 0.00 C ATOM 386 CD GLN A 408 15.004 -4.780 -1.084 1.00 0.00 C ATOM 387 OE1 GLN A 408 16.094 -5.155 -0.663 1.00 0.00 O ATOM 388 NE2 GLN A 408 14.643 -4.936 -2.341 1.00 0.00 N ATOM 0 H GLN A 408 14.175 -0.150 0.292 1.00 0.00 H new ATOM 0 HA GLN A 408 12.219 -2.070 0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 408 13.961 -2.186 -1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 408 15.206 -2.362 0.112 1.00 0.00 H new ATOM 0 HG2 GLN A 408 14.108 -4.518 0.835 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.994 -4.352 -0.507 1.00 0.00 H new ATOM 0 HE21 GLN A 408 13.728 -4.611 -2.653 1.00 0.00 H new ATOM 0 HE22 GLN A 408 15.278 -5.382 -3.003 1.00 0.00 H new ATOM 397 N GLY A 409 12.441 -3.328 2.721 1.00 0.00 N ATOM 398 CA GLY A 409 12.485 -3.937 4.034 1.00 0.00 C ATOM 399 C GLY A 409 11.475 -3.320 4.983 1.00 0.00 C ATOM 400 O GLY A 409 11.198 -3.867 6.052 1.00 0.00 O ATOM 0 H GLY A 409 11.592 -3.521 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 409 12.291 -5.006 3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 409 13.487 -3.828 4.450 1.00 0.00 H new ATOM 404 N LYS A 410 10.933 -2.171 4.600 1.00 0.00 N ATOM 405 CA LYS A 410 9.929 -1.494 5.397 1.00 0.00 C ATOM 406 C LYS A 410 8.528 -2.004 5.079 1.00 0.00 C ATOM 407 O LYS A 410 8.311 -2.667 4.062 1.00 0.00 O ATOM 408 CB LYS A 410 10.015 0.011 5.152 1.00 0.00 C ATOM 409 CG LYS A 410 11.267 0.641 5.735 1.00 0.00 C ATOM 410 CD LYS A 410 11.189 0.723 7.248 1.00 0.00 C ATOM 411 CE LYS A 410 12.536 1.064 7.870 1.00 0.00 C ATOM 412 NZ LYS A 410 13.511 -0.051 7.732 1.00 0.00 N ATOM 0 H LYS A 410 11.177 -1.689 3.735 1.00 0.00 H new ATOM 0 HA LYS A 410 10.124 -1.704 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.987 0.200 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 410 9.138 0.494 5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 410 12.140 0.056 5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 410 11.401 1.640 5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 410 10.456 1.478 7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 410 10.837 -0.229 7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 410 12.939 1.959 7.395 1.00 0.00 H new ATOM 0 HE3 LYS A 410 12.399 1.298 8.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 14.313 0.108 8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 13.047 -0.950 7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 13.855 -0.092 6.751 1.00 0.00 H new ATOM 426 N SER A 411 7.595 -1.701 5.964 1.00 0.00 N ATOM 427 CA SER A 411 6.209 -2.101 5.803 1.00 0.00 C ATOM 428 C SER A 411 5.297 -0.941 6.186 1.00 0.00 C ATOM 429 O SER A 411 5.756 0.050 6.768 1.00 0.00 O ATOM 430 CB SER A 411 5.920 -3.321 6.678 1.00 0.00 C ATOM 431 OG SER A 411 4.558 -3.719 6.617 1.00 0.00 O ATOM 0 H SER A 411 7.778 -1.170 6.816 1.00 0.00 H new ATOM 0 HA SER A 411 6.022 -2.367 4.762 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.553 -4.150 6.361 1.00 0.00 H new ATOM 0 HB3 SER A 411 6.184 -3.095 7.711 1.00 0.00 H new ATOM 0 HG SER A 411 4.420 -4.502 7.190 1.00 0.00 H new ATOM 437 N ILE A 412 4.017 -1.064 5.870 1.00 0.00 N ATOM 438 CA ILE A 412 3.051 -0.010 6.165 1.00 0.00 C ATOM 439 C ILE A 412 1.630 -0.463 5.821 1.00 0.00 C ATOM 440 O ILE A 412 1.425 -1.231 4.880 1.00 0.00 O ATOM 441 CB ILE A 412 3.395 1.295 5.409 1.00 0.00 C ATOM 442 CG1 ILE A 412 2.584 2.464 5.963 1.00 0.00 C ATOM 443 CG2 ILE A 412 3.164 1.144 3.912 1.00 0.00 C ATOM 444 CD1 ILE A 412 2.900 2.782 7.409 1.00 0.00 C ATOM 0 H ILE A 412 3.620 -1.883 5.409 1.00 0.00 H new ATOM 0 HA ILE A 412 3.103 0.194 7.235 1.00 0.00 H new ATOM 0 HB ILE A 412 4.454 1.502 5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.773 3.348 5.354 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.522 2.235 5.872 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.415 2.078 3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.794 0.343 3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 412 2.117 0.903 3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 412 2.289 3.622 7.739 1.00 0.00 H new ATOM 0 HD12 ILE A 412 2.685 1.911 8.028 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.954 3.042 7.502 1.00 0.00 H new ATOM 456 N ASP A 413 0.654 0.006 6.595 1.00 0.00 N ATOM 457 CA ASP A 413 -0.730 -0.435 6.443 1.00 0.00 C ATOM 458 C ASP A 413 -1.483 0.399 5.414 1.00 0.00 C ATOM 459 O ASP A 413 -1.302 1.615 5.311 1.00 0.00 O ATOM 460 CB ASP A 413 -1.483 -0.397 7.783 1.00 0.00 C ATOM 461 CG ASP A 413 -1.522 0.985 8.412 1.00 0.00 C ATOM 462 OD1 ASP A 413 -0.444 1.555 8.689 1.00 0.00 O ATOM 463 OD2 ASP A 413 -2.636 1.509 8.637 1.00 0.00 O ATOM 0 H ASP A 413 0.797 0.693 7.335 1.00 0.00 H new ATOM 0 HA ASP A 413 -0.687 -1.465 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -2.504 -0.747 7.628 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.010 -1.091 8.477 1.00 0.00 H new ATOM 468 N VAL A 414 -2.333 -0.282 4.660 1.00 0.00 N ATOM 469 CA VAL A 414 -3.174 0.352 3.652 1.00 0.00 C ATOM 470 C VAL A 414 -4.581 0.559 4.188 1.00 0.00 C ATOM 471 O VAL A 414 -5.133 -0.307 4.867 1.00 0.00 O ATOM 472 CB VAL A 414 -3.255 -0.501 2.366 1.00 0.00 C ATOM 473 CG1 VAL A 414 -4.042 0.214 1.276 1.00 0.00 C ATOM 474 CG2 VAL A 414 -1.866 -0.864 1.872 1.00 0.00 C ATOM 0 H VAL A 414 -2.460 -1.292 4.729 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.720 1.314 3.412 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.785 -1.421 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -4.081 -0.412 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.055 0.408 1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.554 1.158 1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.947 -1.464 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.308 0.047 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.344 -1.435 2.640 1.00 0.00 H new ATOM 484 N ALA A 415 -5.153 1.710 3.876 1.00 0.00 N ATOM 485 CA ALA A 415 -6.506 2.021 4.289 1.00 0.00 C ATOM 486 C ALA A 415 -7.361 2.356 3.073 1.00 0.00 C ATOM 487 O ALA A 415 -7.172 3.397 2.437 1.00 0.00 O ATOM 488 CB ALA A 415 -6.517 3.169 5.288 1.00 0.00 C ATOM 0 H ALA A 415 -4.697 2.445 3.336 1.00 0.00 H new ATOM 0 HA ALA A 415 -6.928 1.145 4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -7.544 3.384 5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -5.937 2.891 6.168 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.078 4.055 4.829 1.00 0.00 H new ATOM 494 N CYS A 416 -8.283 1.466 2.745 1.00 0.00 N ATOM 495 CA CYS A 416 -9.135 1.635 1.575 1.00 0.00 C ATOM 496 C CYS A 416 -10.490 2.221 1.959 1.00 0.00 C ATOM 497 O CYS A 416 -10.842 2.270 3.138 1.00 0.00 O ATOM 498 CB CYS A 416 -9.335 0.283 0.890 1.00 0.00 C ATOM 499 SG CYS A 416 -7.781 -0.562 0.454 1.00 0.00 S ATOM 0 H CYS A 416 -8.463 0.613 3.275 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.646 2.329 0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.916 -0.364 1.547 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.924 0.429 -0.016 1.00 0.00 H new ATOM 504 N HIS A 417 -11.241 2.677 0.963 1.00 0.00 N ATOM 505 CA HIS A 417 -12.597 3.162 1.191 1.00 0.00 C ATOM 506 C HIS A 417 -13.544 1.976 1.345 1.00 0.00 C ATOM 507 O HIS A 417 -13.235 0.868 0.908 1.00 0.00 O ATOM 508 CB HIS A 417 -13.076 4.061 0.041 1.00 0.00 C ATOM 509 CG HIS A 417 -12.344 5.363 -0.075 1.00 0.00 C ATOM 510 ND1 HIS A 417 -11.936 5.896 -1.276 1.00 0.00 N ATOM 511 CD2 HIS A 417 -11.978 6.257 0.869 1.00 0.00 C ATOM 512 CE1 HIS A 417 -11.350 7.059 -1.065 1.00 0.00 C ATOM 513 NE2 HIS A 417 -11.362 7.305 0.231 1.00 0.00 N ATOM 0 H HIS A 417 -10.934 2.721 -0.009 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.594 3.758 2.104 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -12.973 3.516 -0.897 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.138 4.266 0.175 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -12.140 6.164 1.933 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -10.931 7.702 -1.825 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -10.978 8.135 0.683 1.00 0.00 H new ATOM 522 N PRO A 418 -14.712 2.205 1.956 1.00 0.00 N ATOM 523 CA PRO A 418 -15.692 1.153 2.250 1.00 0.00 C ATOM 524 C PRO A 418 -16.154 0.418 0.996 1.00 0.00 C ATOM 525 O PRO A 418 -16.794 1.000 0.118 1.00 0.00 O ATOM 526 CB PRO A 418 -16.857 1.920 2.884 1.00 0.00 C ATOM 527 CG PRO A 418 -16.259 3.183 3.380 1.00 0.00 C ATOM 528 CD PRO A 418 -15.184 3.522 2.399 1.00 0.00 C ATOM 0 HA PRO A 418 -15.275 0.377 2.892 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.644 2.115 2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.309 1.351 3.697 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -17.005 3.976 3.436 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.851 3.058 4.383 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.568 4.113 1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.385 4.102 2.861 1.00 0.00 H new ATOM 536 N GLY A 419 -15.821 -0.862 0.919 1.00 0.00 N ATOM 537 CA GLY A 419 -16.181 -1.659 -0.236 1.00 0.00 C ATOM 538 C GLY A 419 -14.955 -2.158 -0.967 1.00 0.00 C ATOM 539 O GLY A 419 -15.008 -3.150 -1.697 1.00 0.00 O ATOM 0 H GLY A 419 -15.305 -1.366 1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.788 -2.507 0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.793 -1.064 -0.914 1.00 0.00 H new ATOM 543 N TYR A 420 -13.845 -1.470 -0.758 1.00 0.00 N ATOM 544 CA TYR A 420 -12.588 -1.822 -1.396 1.00 0.00 C ATOM 545 C TYR A 420 -11.619 -2.381 -0.365 1.00 0.00 C ATOM 546 O TYR A 420 -11.680 -2.013 0.810 1.00 0.00 O ATOM 547 CB TYR A 420 -11.975 -0.594 -2.068 1.00 0.00 C ATOM 548 CG TYR A 420 -12.906 0.106 -3.033 1.00 0.00 C ATOM 549 CD1 TYR A 420 -13.103 -0.383 -4.316 1.00 0.00 C ATOM 550 CD2 TYR A 420 -13.585 1.259 -2.658 1.00 0.00 C ATOM 551 CE1 TYR A 420 -13.952 0.255 -5.201 1.00 0.00 C ATOM 552 CE2 TYR A 420 -14.436 1.901 -3.537 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.616 1.396 -4.806 1.00 0.00 C ATOM 554 OH TYR A 420 -15.461 2.035 -5.687 1.00 0.00 O ATOM 0 H TYR A 420 -13.790 -0.657 -0.145 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.782 -2.581 -2.154 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.667 0.113 -1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -11.074 -0.896 -2.602 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -12.584 -1.277 -4.629 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.445 1.659 -1.665 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -14.094 -0.139 -6.197 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -14.958 2.795 -3.230 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.851 2.822 -5.253 1.00 0.00 H new ATOM 564 N ALA A 421 -10.736 -3.267 -0.803 1.00 0.00 N ATOM 565 CA ALA A 421 -9.735 -3.853 0.077 1.00 0.00 C ATOM 566 C ALA A 421 -8.595 -4.437 -0.745 1.00 0.00 C ATOM 567 O ALA A 421 -8.637 -4.416 -1.976 1.00 0.00 O ATOM 568 CB ALA A 421 -10.363 -4.931 0.953 1.00 0.00 C ATOM 0 H ALA A 421 -10.693 -3.597 -1.767 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.337 -3.071 0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.602 -5.359 1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -11.155 -4.491 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.782 -5.714 0.322 1.00 0.00 H new ATOM 574 N LEU A 422 -7.575 -4.949 -0.072 1.00 0.00 N ATOM 575 CA LEU A 422 -6.485 -5.626 -0.755 1.00 0.00 C ATOM 576 C LEU A 422 -6.881 -7.053 -1.097 1.00 0.00 C ATOM 577 O LEU A 422 -7.648 -7.687 -0.374 1.00 0.00 O ATOM 578 CB LEU A 422 -5.211 -5.614 0.086 1.00 0.00 C ATOM 579 CG LEU A 422 -4.502 -4.263 0.163 1.00 0.00 C ATOM 580 CD1 LEU A 422 -3.380 -4.306 1.189 1.00 0.00 C ATOM 581 CD2 LEU A 422 -3.953 -3.873 -1.202 1.00 0.00 C ATOM 0 H LEU A 422 -7.480 -4.908 0.943 1.00 0.00 H new ATOM 0 HA LEU A 422 -6.281 -5.086 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.458 -5.936 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -4.517 -6.349 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.228 -3.512 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.887 -3.335 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.792 -4.545 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.656 -5.069 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.451 -2.908 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -3.242 -4.628 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.772 -3.803 -1.917 1.00 0.00 H new ATOM 593 N PRO A 423 -6.335 -7.551 -2.210 1.00 0.00 N ATOM 594 CA PRO A 423 -6.671 -8.857 -2.794 1.00 0.00 C ATOM 595 C PRO A 423 -6.822 -9.978 -1.782 1.00 0.00 C ATOM 596 O PRO A 423 -7.891 -10.569 -1.638 1.00 0.00 O ATOM 597 CB PRO A 423 -5.485 -9.112 -3.720 1.00 0.00 C ATOM 598 CG PRO A 423 -5.107 -7.749 -4.184 1.00 0.00 C ATOM 599 CD PRO A 423 -5.324 -6.842 -3.008 1.00 0.00 C ATOM 0 HA PRO A 423 -7.644 -8.839 -3.285 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.663 -9.599 -3.195 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -5.759 -9.758 -4.554 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.068 -7.722 -4.512 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.718 -7.442 -5.033 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.404 -6.688 -2.445 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.676 -5.858 -3.319 1.00 0.00 H new ATOM 607 N LYS A 424 -5.760 -10.240 -1.067 1.00 0.00 N ATOM 608 CA LYS A 424 -5.726 -11.346 -0.121 1.00 0.00 C ATOM 609 C LYS A 424 -6.208 -10.916 1.262 1.00 0.00 C ATOM 610 O LYS A 424 -5.726 -11.419 2.280 1.00 0.00 O ATOM 611 CB LYS A 424 -4.315 -11.924 -0.035 1.00 0.00 C ATOM 612 CG LYS A 424 -3.786 -12.422 -1.372 1.00 0.00 C ATOM 613 CD LYS A 424 -4.667 -13.516 -1.961 1.00 0.00 C ATOM 614 CE LYS A 424 -4.583 -14.807 -1.162 1.00 0.00 C ATOM 615 NZ LYS A 424 -5.463 -15.866 -1.723 1.00 0.00 N ATOM 0 H LYS A 424 -4.895 -9.702 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 424 -6.406 -12.117 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.640 -11.161 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -4.310 -12.747 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -3.726 -11.588 -2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.773 -12.803 -1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -5.701 -13.173 -1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -4.367 -13.707 -2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -3.552 -15.160 -1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -4.864 -14.612 -0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -5.376 -16.729 -1.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -6.450 -15.540 -1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -5.179 -16.071 -2.702 1.00 0.00 H new ATOM 629 N ALA A 425 -7.159 -9.982 1.281 1.00 0.00 N ATOM 630 CA ALA A 425 -7.745 -9.470 2.521 1.00 0.00 C ATOM 631 C ALA A 425 -6.667 -8.916 3.445 1.00 0.00 C ATOM 632 O ALA A 425 -6.712 -9.096 4.666 1.00 0.00 O ATOM 633 CB ALA A 425 -8.561 -10.553 3.220 1.00 0.00 C ATOM 0 H ALA A 425 -7.545 -9.559 0.437 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.418 -8.652 2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.987 -10.151 4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -9.364 -10.885 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.915 -11.398 3.459 1.00 0.00 H new ATOM 639 N GLN A 426 -5.694 -8.240 2.853 1.00 0.00 N ATOM 640 CA GLN A 426 -4.565 -7.713 3.594 1.00 0.00 C ATOM 641 C GLN A 426 -4.849 -6.302 4.094 1.00 0.00 C ATOM 642 O GLN A 426 -5.750 -5.621 3.597 1.00 0.00 O ATOM 643 CB GLN A 426 -3.324 -7.715 2.705 1.00 0.00 C ATOM 644 CG GLN A 426 -2.942 -9.097 2.203 1.00 0.00 C ATOM 645 CD GLN A 426 -1.748 -9.068 1.272 1.00 0.00 C ATOM 646 OE1 GLN A 426 -1.898 -8.914 0.062 1.00 0.00 O ATOM 647 NE2 GLN A 426 -0.556 -9.217 1.828 1.00 0.00 N ATOM 0 H GLN A 426 -5.667 -8.044 1.852 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.392 -8.349 4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.498 -7.062 1.850 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.487 -7.295 3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.719 -9.740 3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.792 -9.539 1.684 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.476 -9.342 2.837 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.283 -9.206 1.247 1.00 0.00 H new ATOM 656 N THR A 427 -4.082 -5.873 5.083 1.00 0.00 N ATOM 657 CA THR A 427 -4.208 -4.533 5.629 1.00 0.00 C ATOM 658 C THR A 427 -2.908 -3.780 5.467 1.00 0.00 C ATOM 659 O THR A 427 -2.805 -2.617 5.838 1.00 0.00 O ATOM 660 CB THR A 427 -4.565 -4.561 7.129 1.00 0.00 C ATOM 661 OG1 THR A 427 -3.761 -5.540 7.809 1.00 0.00 O ATOM 662 CG2 THR A 427 -6.039 -4.869 7.335 1.00 0.00 C ATOM 0 H THR A 427 -3.359 -6.440 5.527 1.00 0.00 H new ATOM 0 HA THR A 427 -5.009 -4.038 5.081 1.00 0.00 H new ATOM 0 HB THR A 427 -4.361 -3.574 7.544 1.00 0.00 H new ATOM 0 HG1 THR A 427 -2.825 -5.440 7.538 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.262 -4.882 8.402 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.642 -4.103 6.848 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.271 -5.843 6.904 1.00 0.00 H new ATOM 670 N THR A 428 -1.921 -4.444 4.903 1.00 0.00 N ATOM 671 CA THR A 428 -0.573 -3.929 4.911 1.00 0.00 C ATOM 672 C THR A 428 0.141 -4.218 3.591 1.00 0.00 C ATOM 673 O THR A 428 -0.259 -5.104 2.834 1.00 0.00 O ATOM 674 CB THR A 428 0.209 -4.575 6.067 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.686 -5.335 6.892 1.00 0.00 O ATOM 676 CG2 THR A 428 0.913 -3.536 6.921 1.00 0.00 C ATOM 0 H THR A 428 -2.030 -5.343 4.433 1.00 0.00 H new ATOM 0 HA THR A 428 -0.619 -2.848 5.043 1.00 0.00 H new ATOM 0 HB THR A 428 0.966 -5.226 5.630 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.184 -5.746 7.626 1.00 0.00 H new ATOM 0 HG21 THR A 428 1.454 -4.033 7.726 1.00 0.00 H new ATOM 0 HG22 THR A 428 1.615 -2.974 6.305 1.00 0.00 H new ATOM 0 HG23 THR A 428 0.176 -2.854 7.346 1.00 0.00 H new ATOM 684 N VAL A 429 1.191 -3.458 3.325 1.00 0.00 N ATOM 685 CA VAL A 429 2.010 -3.638 2.142 1.00 0.00 C ATOM 686 C VAL A 429 3.445 -3.306 2.477 1.00 0.00 C ATOM 687 O VAL A 429 3.710 -2.382 3.246 1.00 0.00 O ATOM 688 CB VAL A 429 1.513 -2.758 0.975 1.00 0.00 C ATOM 689 CG1 VAL A 429 1.435 -1.297 1.388 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.383 -2.904 -0.241 1.00 0.00 C ATOM 0 H VAL A 429 1.499 -2.695 3.928 1.00 0.00 H new ATOM 0 HA VAL A 429 1.938 -4.677 1.822 1.00 0.00 H new ATOM 0 HB VAL A 429 0.512 -3.104 0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 429 1.082 -0.700 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.743 -1.192 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 429 2.424 -0.951 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 429 2.001 -2.269 -1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.403 -2.606 0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.378 -3.943 -0.569 1.00 0.00 H new ATOM 700 N THR A 430 4.376 -4.076 1.940 1.00 0.00 N ATOM 701 CA THR A 430 5.753 -3.885 2.311 1.00 0.00 C ATOM 702 C THR A 430 6.664 -3.712 1.114 1.00 0.00 C ATOM 703 O THR A 430 6.292 -3.997 -0.018 1.00 0.00 O ATOM 704 CB THR A 430 6.286 -5.031 3.184 1.00 0.00 C ATOM 705 OG1 THR A 430 6.641 -6.162 2.375 1.00 0.00 O ATOM 706 CG2 THR A 430 5.256 -5.481 4.207 1.00 0.00 C ATOM 0 H THR A 430 4.203 -4.819 1.263 1.00 0.00 H new ATOM 0 HA THR A 430 5.763 -2.962 2.891 1.00 0.00 H new ATOM 0 HB THR A 430 7.165 -4.649 3.703 1.00 0.00 H new ATOM 0 HG1 THR A 430 6.150 -6.125 1.528 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.669 -6.293 4.806 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.999 -4.645 4.857 1.00 0.00 H new ATOM 0 HG23 THR A 430 4.360 -5.829 3.693 1.00 0.00 H new ATOM 714 N CYS A 431 7.865 -3.233 1.396 1.00 0.00 N ATOM 715 CA CYS A 431 8.837 -2.918 0.380 1.00 0.00 C ATOM 716 C CYS A 431 9.724 -4.121 0.054 1.00 0.00 C ATOM 717 O CYS A 431 10.631 -4.460 0.817 1.00 0.00 O ATOM 718 CB CYS A 431 9.700 -1.767 0.880 1.00 0.00 C ATOM 719 SG CYS A 431 8.796 -0.420 1.660 1.00 0.00 S ATOM 0 H CYS A 431 8.188 -3.053 2.347 1.00 0.00 H new ATOM 0 HA CYS A 431 8.311 -2.640 -0.534 1.00 0.00 H new ATOM 0 HB2 CYS A 431 10.424 -2.159 1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 431 10.266 -1.366 0.039 1.00 0.00 H new ATOM 724 N MET A 432 9.447 -4.769 -1.071 1.00 0.00 N ATOM 725 CA MET A 432 10.295 -5.841 -1.583 1.00 0.00 C ATOM 726 C MET A 432 11.287 -5.243 -2.590 1.00 0.00 C ATOM 727 O MET A 432 11.576 -4.045 -2.537 1.00 0.00 O ATOM 728 CB MET A 432 9.438 -6.944 -2.236 1.00 0.00 C ATOM 729 CG MET A 432 8.971 -6.611 -3.644 1.00 0.00 C ATOM 730 SD MET A 432 7.862 -7.849 -4.351 1.00 0.00 S ATOM 731 CE MET A 432 8.879 -9.322 -4.288 1.00 0.00 C ATOM 0 H MET A 432 8.633 -4.569 -1.652 1.00 0.00 H new ATOM 0 HA MET A 432 10.847 -6.301 -0.763 1.00 0.00 H new ATOM 0 HB2 MET A 432 10.014 -7.869 -2.264 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.566 -7.131 -1.610 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.464 -5.646 -3.631 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.842 -6.504 -4.291 1.00 0.00 H new ATOM 0 HE1 MET A 432 8.442 -10.093 -4.922 1.00 0.00 H new ATOM 0 HE2 MET A 432 9.882 -9.087 -4.643 1.00 0.00 H new ATOM 0 HE3 MET A 432 8.933 -9.683 -3.261 1.00 0.00 H new ATOM 741 N GLU A 433 11.824 -6.062 -3.490 1.00 0.00 N ATOM 742 CA GLU A 433 12.722 -5.569 -4.530 1.00 0.00 C ATOM 743 C GLU A 433 12.039 -4.509 -5.378 1.00 0.00 C ATOM 744 O GLU A 433 12.482 -3.361 -5.440 1.00 0.00 O ATOM 745 CB GLU A 433 13.196 -6.709 -5.431 1.00 0.00 C ATOM 746 CG GLU A 433 13.832 -6.217 -6.718 1.00 0.00 C ATOM 747 CD GLU A 433 14.523 -7.312 -7.489 1.00 0.00 C ATOM 748 OE1 GLU A 433 15.655 -7.673 -7.114 1.00 0.00 O ATOM 749 OE2 GLU A 433 13.955 -7.786 -8.490 1.00 0.00 O ATOM 0 H GLU A 433 11.654 -7.067 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 433 13.585 -5.127 -4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 433 13.915 -7.321 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.349 -7.351 -5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 433 13.064 -5.766 -7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 433 14.553 -5.434 -6.484 1.00 0.00 H new ATOM 756 N ASN A 434 10.953 -4.910 -6.014 1.00 0.00 N ATOM 757 CA ASN A 434 10.191 -4.039 -6.894 1.00 0.00 C ATOM 758 C ASN A 434 9.196 -3.208 -6.096 1.00 0.00 C ATOM 759 O ASN A 434 8.025 -3.092 -6.466 1.00 0.00 O ATOM 760 CB ASN A 434 9.463 -4.876 -7.948 1.00 0.00 C ATOM 761 CG ASN A 434 10.288 -5.127 -9.196 1.00 0.00 C ATOM 762 OD1 ASN A 434 10.232 -6.207 -9.784 1.00 0.00 O ATOM 763 ND2 ASN A 434 11.030 -4.123 -9.632 1.00 0.00 N ATOM 0 H ASN A 434 10.572 -5.853 -5.935 1.00 0.00 H new ATOM 0 HA ASN A 434 10.879 -3.357 -7.395 1.00 0.00 H new ATOM 0 HB2 ASN A 434 9.181 -5.833 -7.509 1.00 0.00 H new ATOM 0 HB3 ASN A 434 8.539 -4.370 -8.228 1.00 0.00 H new ATOM 0 HD21 ASN A 434 11.582 -4.229 -10.483 1.00 0.00 H new ATOM 0 HD22 ASN A 434 11.050 -3.243 -9.117 1.00 0.00 H new ATOM 770 N GLY A 435 9.670 -2.636 -4.997 1.00 0.00 N ATOM 771 CA GLY A 435 8.813 -1.815 -4.162 1.00 0.00 C ATOM 772 C GLY A 435 7.788 -2.641 -3.415 1.00 0.00 C ATOM 773 O GLY A 435 8.080 -3.751 -2.995 1.00 0.00 O ATOM 0 H GLY A 435 10.632 -2.725 -4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 435 9.424 -1.263 -3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 435 8.302 -1.078 -4.781 1.00 0.00 H new ATOM 777 N TRP A 436 6.588 -2.102 -3.265 1.00 0.00 N ATOM 778 CA TRP A 436 5.503 -2.778 -2.553 1.00 0.00 C ATOM 779 C TRP A 436 5.256 -4.184 -3.110 1.00 0.00 C ATOM 780 O TRP A 436 4.932 -4.346 -4.288 1.00 0.00 O ATOM 781 CB TRP A 436 4.229 -1.957 -2.686 1.00 0.00 C ATOM 782 CG TRP A 436 4.349 -0.560 -2.163 1.00 0.00 C ATOM 783 CD1 TRP A 436 3.970 0.584 -2.797 1.00 0.00 C ATOM 784 CD2 TRP A 436 4.899 -0.158 -0.906 1.00 0.00 C ATOM 785 NE1 TRP A 436 4.218 1.671 -1.999 1.00 0.00 N ATOM 786 CE2 TRP A 436 4.796 1.244 -0.836 1.00 0.00 C ATOM 787 CE3 TRP A 436 5.460 -0.846 0.168 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.234 1.968 0.268 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.898 -0.129 1.255 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.784 1.265 1.301 1.00 0.00 C ATOM 0 H TRP A 436 6.334 -1.185 -3.631 1.00 0.00 H new ATOM 0 HA TRP A 436 5.790 -2.872 -1.506 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.942 -1.917 -3.737 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.424 -2.465 -2.155 1.00 0.00 H new ATOM 0 HD1 TRP A 436 3.537 0.629 -3.785 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.006 2.640 -2.235 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.549 -1.922 0.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.143 3.043 0.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 6.339 -0.652 2.091 1.00 0.00 H new ATOM 0 HH2 TRP A 436 6.139 1.796 2.172 1.00 0.00 H new ATOM 801 N SER A 437 5.382 -5.183 -2.245 1.00 0.00 N ATOM 802 CA SER A 437 5.256 -6.579 -2.643 1.00 0.00 C ATOM 803 C SER A 437 3.789 -7.016 -2.785 1.00 0.00 C ATOM 804 O SER A 437 3.420 -7.583 -3.815 1.00 0.00 O ATOM 805 CB SER A 437 6.033 -7.472 -1.666 1.00 0.00 C ATOM 806 OG SER A 437 6.092 -6.887 -0.375 1.00 0.00 O ATOM 0 H SER A 437 5.574 -5.049 -1.252 1.00 0.00 H new ATOM 0 HA SER A 437 5.695 -6.691 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.555 -8.450 -1.604 1.00 0.00 H new ATOM 0 HB3 SER A 437 7.043 -7.634 -2.042 1.00 0.00 H new ATOM 0 HG SER A 437 6.815 -7.303 0.140 1.00 0.00 H new ATOM 812 N PRO A 438 2.918 -6.762 -1.776 1.00 0.00 N ATOM 813 CA PRO A 438 1.479 -7.008 -1.916 1.00 0.00 C ATOM 814 C PRO A 438 0.878 -6.146 -3.017 1.00 0.00 C ATOM 815 O PRO A 438 -0.121 -6.516 -3.633 1.00 0.00 O ATOM 816 CB PRO A 438 0.905 -6.582 -0.561 1.00 0.00 C ATOM 817 CG PRO A 438 2.047 -6.627 0.381 1.00 0.00 C ATOM 818 CD PRO A 438 3.243 -6.252 -0.433 1.00 0.00 C ATOM 0 HA PRO A 438 1.262 -8.044 -2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.477 -5.581 -0.613 1.00 0.00 H new ATOM 0 HB3 PRO A 438 0.107 -7.253 -0.244 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.902 -5.934 1.209 1.00 0.00 H new ATOM 0 HG3 PRO A 438 2.161 -7.621 0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.401 -5.174 -0.441 1.00 0.00 H new ATOM 0 HD3 PRO A 438 4.154 -6.705 -0.041 1.00 0.00 H new ATOM 826 N THR A 439 1.522 -5.003 -3.258 1.00 0.00 N ATOM 827 CA THR A 439 1.041 -4.011 -4.207 1.00 0.00 C ATOM 828 C THR A 439 -0.255 -3.373 -3.705 1.00 0.00 C ATOM 829 O THR A 439 -1.309 -4.011 -3.671 1.00 0.00 O ATOM 830 CB THR A 439 0.827 -4.616 -5.610 1.00 0.00 C ATOM 831 OG1 THR A 439 2.032 -5.261 -6.045 1.00 0.00 O ATOM 832 CG2 THR A 439 0.437 -3.540 -6.615 1.00 0.00 C ATOM 0 H THR A 439 2.394 -4.743 -2.797 1.00 0.00 H new ATOM 0 HA THR A 439 1.809 -3.242 -4.290 1.00 0.00 H new ATOM 0 HB THR A 439 0.017 -5.343 -5.550 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.894 -5.646 -6.935 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.292 -3.993 -7.596 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.489 -3.062 -6.296 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.229 -2.793 -6.674 1.00 0.00 H new ATOM 840 N PRO A 440 -0.183 -2.099 -3.299 1.00 0.00 N ATOM 841 CA PRO A 440 -1.322 -1.399 -2.736 1.00 0.00 C ATOM 842 C PRO A 440 -2.324 -1.013 -3.811 1.00 0.00 C ATOM 843 O PRO A 440 -2.153 -0.021 -4.523 1.00 0.00 O ATOM 844 CB PRO A 440 -0.723 -0.159 -2.067 1.00 0.00 C ATOM 845 CG PRO A 440 0.694 -0.054 -2.531 1.00 0.00 C ATOM 846 CD PRO A 440 1.001 -1.245 -3.401 1.00 0.00 C ATOM 0 HA PRO A 440 -1.875 -2.021 -2.032 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.285 0.735 -2.338 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.768 -0.247 -0.981 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.843 0.871 -3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.371 -0.024 -1.677 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.184 -0.944 -4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.895 -1.766 -3.057 1.00 0.00 H new ATOM 854 N ARG A 441 -3.354 -1.826 -3.938 1.00 0.00 N ATOM 855 CA ARG A 441 -4.413 -1.588 -4.899 1.00 0.00 C ATOM 856 C ARG A 441 -5.741 -2.048 -4.319 1.00 0.00 C ATOM 857 O ARG A 441 -6.016 -3.246 -4.233 1.00 0.00 O ATOM 858 CB ARG A 441 -4.116 -2.314 -6.217 1.00 0.00 C ATOM 859 CG ARG A 441 -3.681 -3.760 -6.032 1.00 0.00 C ATOM 860 CD ARG A 441 -3.386 -4.439 -7.357 1.00 0.00 C ATOM 861 NE ARG A 441 -2.691 -5.710 -7.164 1.00 0.00 N ATOM 862 CZ ARG A 441 -1.819 -6.219 -8.030 1.00 0.00 C ATOM 863 NH1 ARG A 441 -1.596 -5.611 -9.189 1.00 0.00 N ATOM 864 NH2 ARG A 441 -1.181 -7.343 -7.740 1.00 0.00 N ATOM 0 H ARG A 441 -3.480 -2.669 -3.379 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.471 -0.520 -5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -5.007 -2.289 -6.844 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.334 -1.774 -6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.792 -3.793 -5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -4.463 -4.310 -5.509 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -4.319 -4.611 -7.895 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.777 -3.781 -7.977 1.00 0.00 H new ATOM 0 HE ARG A 441 -2.886 -6.239 -6.314 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -2.094 -4.751 -9.418 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -0.927 -6.004 -9.851 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -1.359 -7.816 -6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -0.512 -7.735 -8.403 1.00 0.00 H new ATOM 878 N CYS A 442 -6.544 -1.094 -3.888 1.00 0.00 N ATOM 879 CA CYS A 442 -7.826 -1.401 -3.279 1.00 0.00 C ATOM 880 C CYS A 442 -8.843 -1.811 -4.333 1.00 0.00 C ATOM 881 O CYS A 442 -9.445 -0.965 -4.994 1.00 0.00 O ATOM 882 CB CYS A 442 -8.340 -0.193 -2.500 1.00 0.00 C ATOM 883 SG CYS A 442 -7.184 0.404 -1.225 1.00 0.00 S ATOM 0 H CYS A 442 -6.332 -0.098 -3.948 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.686 -2.236 -2.593 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.546 0.618 -3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.286 -0.454 -2.026 1.00 0.00 H new ATOM 888 N ILE A 443 -9.009 -3.112 -4.504 1.00 0.00 N ATOM 889 CA ILE A 443 -10.009 -3.642 -5.401 1.00 0.00 C ATOM 890 C ILE A 443 -11.321 -3.824 -4.660 1.00 0.00 C ATOM 891 O ILE A 443 -11.333 -4.018 -3.443 1.00 0.00 O ATOM 892 CB ILE A 443 -9.569 -4.985 -6.006 1.00 0.00 C ATOM 893 CG1 ILE A 443 -9.029 -5.924 -4.924 1.00 0.00 C ATOM 894 CG2 ILE A 443 -8.530 -4.764 -7.097 1.00 0.00 C ATOM 895 CD1 ILE A 443 -8.772 -7.332 -5.419 1.00 0.00 C ATOM 0 H ILE A 443 -8.455 -3.823 -4.026 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.139 -2.929 -6.215 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.443 -5.458 -6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -8.101 -5.512 -4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.740 -5.962 -4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.230 -5.725 -7.514 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -8.957 -4.144 -7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.659 -4.264 -6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -8.391 -7.942 -4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -9.702 -7.763 -5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -8.038 -7.306 -6.224 1.00 0.00 H new ATOM 907 N ARG A 444 -12.422 -3.741 -5.383 1.00 0.00 N ATOM 908 CA ARG A 444 -13.720 -3.856 -4.790 1.00 0.00 C ATOM 909 C ARG A 444 -14.027 -5.292 -4.445 1.00 0.00 C ATOM 910 O ARG A 444 -14.111 -6.161 -5.313 1.00 0.00 O ATOM 911 CB ARG A 444 -14.764 -3.288 -5.735 1.00 0.00 C ATOM 912 CG ARG A 444 -16.152 -3.404 -5.180 1.00 0.00 C ATOM 913 CD ARG A 444 -17.193 -2.777 -6.086 1.00 0.00 C ATOM 914 NE ARG A 444 -18.521 -2.800 -5.474 1.00 0.00 N ATOM 915 CZ ARG A 444 -19.585 -2.190 -5.988 1.00 0.00 C ATOM 916 NH1 ARG A 444 -19.490 -1.532 -7.138 1.00 0.00 N ATOM 917 NH2 ARG A 444 -20.750 -2.241 -5.352 1.00 0.00 N ATOM 0 H ARG A 444 -12.431 -3.593 -6.392 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.738 -3.284 -3.862 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.540 -2.240 -5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.711 -3.812 -6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.393 -4.456 -5.029 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -16.190 -2.925 -4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -16.911 -1.748 -6.308 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -17.220 -3.312 -7.036 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.638 -3.314 -4.601 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -18.598 -1.493 -7.631 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -20.309 -1.066 -7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -20.828 -2.748 -4.470 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -21.567 -1.773 -5.745 1.00 0.00 H new ATOM 931 N VAL A 445 -14.186 -5.524 -3.161 1.00 0.00 N ATOM 932 CA VAL A 445 -14.432 -6.849 -2.659 1.00 0.00 C ATOM 933 C VAL A 445 -15.885 -6.975 -2.209 1.00 0.00 C ATOM 934 O VAL A 445 -16.419 -8.077 -2.059 1.00 0.00 O ATOM 935 CB VAL A 445 -13.467 -7.160 -1.498 1.00 0.00 C ATOM 936 CG1 VAL A 445 -13.832 -6.370 -0.249 1.00 0.00 C ATOM 937 CG2 VAL A 445 -13.411 -8.655 -1.210 1.00 0.00 C ATOM 0 H VAL A 445 -14.148 -4.801 -2.442 1.00 0.00 H new ATOM 0 HA VAL A 445 -14.256 -7.574 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 445 -12.470 -6.847 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -13.133 -6.612 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -13.781 -5.303 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -14.844 -6.629 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -12.722 -8.841 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -14.405 -9.011 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -13.066 -9.184 -2.098 1.00 0.00 H new ATOM 947 N LYS A 446 -16.522 -5.829 -2.011 1.00 0.00 N ATOM 948 CA LYS A 446 -17.907 -5.775 -1.604 1.00 0.00 C ATOM 949 C LYS A 446 -18.762 -5.271 -2.757 1.00 0.00 C ATOM 950 O LYS A 446 -18.697 -4.062 -3.057 1.00 0.00 O ATOM 951 CB LYS A 446 -18.056 -4.859 -0.392 1.00 0.00 C ATOM 952 CG LYS A 446 -17.302 -5.343 0.839 1.00 0.00 C ATOM 953 CD LYS A 446 -17.435 -4.381 2.017 1.00 0.00 C ATOM 954 CE LYS A 446 -18.759 -4.542 2.758 1.00 0.00 C ATOM 955 NZ LYS A 446 -19.936 -4.235 1.902 1.00 0.00 N ATOM 956 OXT LYS A 446 -19.474 -6.089 -3.375 1.00 0.00 O ATOM 0 H LYS A 446 -16.087 -4.914 -2.130 1.00 0.00 H new ATOM 0 HA LYS A 446 -18.242 -6.775 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -17.702 -3.862 -0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -19.114 -4.766 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -17.678 -6.324 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -16.248 -5.466 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -16.611 -4.547 2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -17.347 -3.356 1.656 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -18.841 -5.564 3.129 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -18.766 -3.885 3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -20.689 -3.817 2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -19.659 -3.562 1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -20.284 -5.111 1.463 1.00 0.00 H new TER 970 LYS A 446