USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 667 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 Single : A 379 SER OG : rot -160:sc= -0.705 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 382 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0646) USER MOD Single : A 385 HIS : no HE2:sc= -0.916 K(o=-0.92,f=-1.4) USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 391 GLN : amide:sc= -0.075 K(o=-0.075,f=-1.4) USER MOD Single : A 392 TYR OH : rot 180:sc= 0 USER MOD Single : A 395 GLN :FLIP amide:sc= -0.595! F(o=-1.1,f=-0.59!) USER MOD Single : A 403 LYS NZ :NH3+ -169:sc= -0.0475 (180deg=-0.307) USER MOD Single : A 404 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 THR OG1 : rot 180:sc= 0 USER MOD Single : A 407 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 417 THR OG1 : rot 34:sc= 1.07 USER MOD Single : A 418 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 428 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 431 GLN : amide:sc= 0.0339 X(o=0.034,f=-0.026) USER MOD Single : A 433 SER OG : rot -159:sc= -2.26 USER MOD Single : A 436 GLN : amide:sc= -2.32 K(o=-2.3,f=-6.4!) USER MOD Single : A 439 LYS NZ :NH3+ 151:sc= -1.09 (180deg=-1.47) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN :FLIP amide:sc=-0.00669 F(o=-0.53,f=-0.0067) USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N SER A 379 -1.524 17.175 1.663 1.00 0.00 N ATOM 44 CA SER A 379 -0.267 16.473 1.431 1.00 0.00 C ATOM 45 C SER A 379 -0.198 15.189 2.249 1.00 0.00 C ATOM 46 O SER A 379 0.038 14.108 1.708 1.00 0.00 O ATOM 47 CB SER A 379 0.918 17.380 1.778 1.00 0.00 C ATOM 48 OG SER A 379 1.229 17.309 3.159 1.00 0.00 O ATOM 0 HA SER A 379 -0.217 16.209 0.375 1.00 0.00 H new ATOM 0 HB2 SER A 379 1.788 17.087 1.191 1.00 0.00 H new ATOM 0 HB3 SER A 379 0.683 18.409 1.508 1.00 0.00 H new ATOM 0 HG SER A 379 1.749 18.098 3.418 1.00 0.00 H new ATOM 54 N ILE A 380 -0.403 15.314 3.556 1.00 0.00 N ATOM 55 CA ILE A 380 -0.362 14.162 4.449 1.00 0.00 C ATOM 56 C ILE A 380 -1.641 13.336 4.345 1.00 0.00 C ATOM 57 O ILE A 380 -1.604 12.109 4.419 1.00 0.00 O ATOM 58 CB ILE A 380 -0.152 14.594 5.915 1.00 0.00 C ATOM 59 CG1 ILE A 380 0.033 13.368 6.810 1.00 0.00 C ATOM 60 CG2 ILE A 380 -1.323 15.439 6.396 1.00 0.00 C ATOM 61 CD1 ILE A 380 0.804 13.658 8.079 1.00 0.00 C ATOM 0 H ILE A 380 -0.599 16.201 4.020 1.00 0.00 H new ATOM 0 HA ILE A 380 0.484 13.549 4.137 1.00 0.00 H new ATOM 0 HB ILE A 380 0.752 15.201 5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 380 -0.947 12.969 7.073 1.00 0.00 H new ATOM 0 HG13 ILE A 380 0.553 12.593 6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 380 -1.157 15.734 7.432 1.00 0.00 H new ATOM 0 HG22 ILE A 380 -1.409 16.330 5.774 1.00 0.00 H new ATOM 0 HG23 ILE A 380 -2.243 14.859 6.327 1.00 0.00 H new ATOM 0 HD11 ILE A 380 0.897 12.744 8.665 1.00 0.00 H new ATOM 0 HD12 ILE A 380 1.797 14.029 7.825 1.00 0.00 H new ATOM 0 HD13 ILE A 380 0.274 14.411 8.663 1.00 0.00 H new ATOM 73 N LYS A 381 -2.771 14.017 4.172 1.00 0.00 N ATOM 74 CA LYS A 381 -4.063 13.346 4.059 1.00 0.00 C ATOM 75 C LYS A 381 -3.993 12.179 3.077 1.00 0.00 C ATOM 76 O LYS A 381 -4.452 11.076 3.374 1.00 0.00 O ATOM 77 CB LYS A 381 -5.139 14.339 3.611 1.00 0.00 C ATOM 78 CG LYS A 381 -6.531 13.995 4.111 1.00 0.00 C ATOM 79 CD LYS A 381 -7.596 14.369 3.093 1.00 0.00 C ATOM 80 CE LYS A 381 -8.916 14.708 3.766 1.00 0.00 C ATOM 81 NZ LYS A 381 -9.078 16.175 3.964 1.00 0.00 N ATOM 0 H LYS A 381 -2.818 15.034 4.107 1.00 0.00 H new ATOM 0 HA LYS A 381 -4.324 12.953 5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -4.871 15.335 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -5.153 14.379 2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -6.589 12.928 4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -6.722 14.518 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -7.256 15.222 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -7.743 13.542 2.398 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -9.740 14.330 3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -8.972 14.203 4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -9.991 16.364 4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -8.306 16.532 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -9.050 16.655 3.042 1.00 0.00 H new ATOM 95 N LYS A 382 -3.415 12.431 1.908 1.00 0.00 N ATOM 96 CA LYS A 382 -3.280 11.402 0.885 1.00 0.00 C ATOM 97 C LYS A 382 -2.462 10.225 1.405 1.00 0.00 C ATOM 98 O LYS A 382 -2.833 9.065 1.217 1.00 0.00 O ATOM 99 CB LYS A 382 -2.626 11.983 -0.371 1.00 0.00 C ATOM 100 CG LYS A 382 -3.625 12.423 -1.428 1.00 0.00 C ATOM 101 CD LYS A 382 -4.010 13.883 -1.258 1.00 0.00 C ATOM 102 CE LYS A 382 -5.441 14.138 -1.703 1.00 0.00 C ATOM 103 NZ LYS A 382 -6.429 13.609 -0.723 1.00 0.00 N ATOM 0 H LYS A 382 -3.032 13.339 1.646 1.00 0.00 H new ATOM 0 HA LYS A 382 -4.277 11.043 0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 382 -2.009 12.836 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 382 -1.959 11.236 -0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 382 -3.198 12.272 -2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 382 -4.518 11.801 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 382 -3.896 14.171 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 382 -3.331 14.509 -1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 382 -5.596 15.209 -1.832 1.00 0.00 H new ATOM 0 HE3 LYS A 382 -5.608 13.672 -2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 -7.372 13.988 -0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 -6.451 12.571 -0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 -6.154 13.898 0.237 1.00 0.00 H new ATOM 117 N ILE A 383 -1.347 10.530 2.064 1.00 0.00 N ATOM 118 CA ILE A 383 -0.482 9.496 2.611 1.00 0.00 C ATOM 119 C ILE A 383 -1.206 8.707 3.695 1.00 0.00 C ATOM 120 O ILE A 383 -0.997 7.504 3.845 1.00 0.00 O ATOM 121 CB ILE A 383 0.822 10.079 3.193 1.00 0.00 C ATOM 122 CG1 ILE A 383 1.348 11.226 2.323 1.00 0.00 C ATOM 123 CG2 ILE A 383 1.871 8.987 3.314 1.00 0.00 C ATOM 124 CD1 ILE A 383 1.454 10.877 0.854 1.00 0.00 C ATOM 0 H ILE A 383 -1.024 11.483 2.230 1.00 0.00 H new ATOM 0 HA ILE A 383 -0.222 8.834 1.785 1.00 0.00 H new ATOM 0 HB ILE A 383 0.606 10.478 4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 383 0.690 12.087 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 383 2.330 11.526 2.688 1.00 0.00 H new ATOM 0 HG21 ILE A 383 2.788 9.408 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 383 1.504 8.201 3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 383 2.075 8.567 2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 383 1.833 11.737 0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 383 2.136 10.036 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 383 0.470 10.606 0.472 1.00 0.00 H new ATOM 136 N ILE A 384 -2.070 9.390 4.442 1.00 0.00 N ATOM 137 CA ILE A 384 -2.834 8.744 5.502 1.00 0.00 C ATOM 138 C ILE A 384 -3.815 7.740 4.909 1.00 0.00 C ATOM 139 O ILE A 384 -3.933 6.613 5.390 1.00 0.00 O ATOM 140 CB ILE A 384 -3.608 9.772 6.354 1.00 0.00 C ATOM 141 CG1 ILE A 384 -2.649 10.806 6.944 1.00 0.00 C ATOM 142 CG2 ILE A 384 -4.383 9.073 7.461 1.00 0.00 C ATOM 143 CD1 ILE A 384 -3.283 12.164 7.158 1.00 0.00 C ATOM 0 H ILE A 384 -2.257 10.387 4.332 1.00 0.00 H new ATOM 0 HA ILE A 384 -2.123 8.229 6.148 1.00 0.00 H new ATOM 0 HB ILE A 384 -4.319 10.288 5.709 1.00 0.00 H new ATOM 0 HG12 ILE A 384 -2.270 10.436 7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 384 -1.791 10.915 6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 384 -4.922 9.814 8.051 1.00 0.00 H new ATOM 0 HG22 ILE A 384 -5.093 8.372 7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 384 -3.690 8.531 8.104 1.00 0.00 H new ATOM 0 HD11 ILE A 384 -2.546 12.848 7.579 1.00 0.00 H new ATOM 0 HD12 ILE A 384 -3.637 12.555 6.204 1.00 0.00 H new ATOM 0 HD13 ILE A 384 -4.123 12.069 7.846 1.00 0.00 H new ATOM 155 N HIS A 385 -4.511 8.156 3.855 1.00 0.00 N ATOM 156 CA HIS A 385 -5.473 7.289 3.186 1.00 0.00 C ATOM 157 C HIS A 385 -4.780 6.044 2.647 1.00 0.00 C ATOM 158 O HIS A 385 -5.158 4.918 2.973 1.00 0.00 O ATOM 159 CB HIS A 385 -6.164 8.041 2.046 1.00 0.00 C ATOM 160 CG HIS A 385 -6.958 9.225 2.504 1.00 0.00 C ATOM 161 ND1 HIS A 385 -7.106 9.564 3.832 1.00 0.00 N ATOM 162 CD2 HIS A 385 -7.648 10.154 1.801 1.00 0.00 C ATOM 163 CE1 HIS A 385 -7.854 10.649 3.926 1.00 0.00 C ATOM 164 NE2 HIS A 385 -8.195 11.027 2.709 1.00 0.00 N ATOM 0 H HIS A 385 -4.426 9.087 3.447 1.00 0.00 H new ATOM 0 HA HIS A 385 -6.226 6.984 3.912 1.00 0.00 H new ATOM 0 HB2 HIS A 385 -5.411 8.373 1.332 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -6.824 7.354 1.516 1.00 0.00 H new ATOM 0 HD1 HIS A 385 -6.701 9.057 4.619 1.00 0.00 H new ATOM 0 HD2 HIS A 385 -7.749 10.200 0.727 1.00 0.00 H new ATOM 0 HE1 HIS A 385 -8.138 11.143 4.844 1.00 0.00 H new ATOM 173 N VAL A 386 -3.755 6.254 1.826 1.00 0.00 N ATOM 174 CA VAL A 386 -3.003 5.147 1.251 1.00 0.00 C ATOM 175 C VAL A 386 -2.426 4.264 2.353 1.00 0.00 C ATOM 176 O VAL A 386 -2.362 3.042 2.216 1.00 0.00 O ATOM 177 CB VAL A 386 -1.859 5.650 0.347 1.00 0.00 C ATOM 178 CG1 VAL A 386 -0.900 6.526 1.138 1.00 0.00 C ATOM 179 CG2 VAL A 386 -1.124 4.481 -0.295 1.00 0.00 C ATOM 0 H VAL A 386 -3.428 7.179 1.545 1.00 0.00 H new ATOM 0 HA VAL A 386 -3.695 4.565 0.642 1.00 0.00 H new ATOM 0 HB VAL A 386 -2.292 6.253 -0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 386 -0.099 6.872 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 386 -1.438 7.385 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 386 -0.474 5.950 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 386 -0.321 4.859 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 386 -0.703 3.844 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 386 -1.821 3.901 -0.900 1.00 0.00 H new ATOM 189 N LEU A 387 -2.018 4.893 3.451 1.00 0.00 N ATOM 190 CA LEU A 387 -1.459 4.165 4.583 1.00 0.00 C ATOM 191 C LEU A 387 -2.509 3.243 5.190 1.00 0.00 C ATOM 192 O LEU A 387 -2.232 2.083 5.497 1.00 0.00 O ATOM 193 CB LEU A 387 -0.943 5.142 5.643 1.00 0.00 C ATOM 194 CG LEU A 387 0.499 5.609 5.443 1.00 0.00 C ATOM 195 CD1 LEU A 387 0.832 6.739 6.405 1.00 0.00 C ATOM 196 CD2 LEU A 387 1.466 4.448 5.626 1.00 0.00 C ATOM 0 H LEU A 387 -2.064 5.904 3.580 1.00 0.00 H new ATOM 0 HA LEU A 387 -0.624 3.561 4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 387 -1.594 6.016 5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 387 -1.024 4.669 6.622 1.00 0.00 H new ATOM 0 HG LEU A 387 0.601 5.984 4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 387 1.862 7.059 6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 387 0.160 7.579 6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 387 0.712 6.391 7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 387 2.488 4.799 5.480 1.00 0.00 H new ATOM 0 HD22 LEU A 387 1.362 4.043 6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 387 1.242 3.670 4.897 1.00 0.00 H new ATOM 208 N GLU A 388 -3.722 3.766 5.351 1.00 0.00 N ATOM 209 CA GLU A 388 -4.820 2.986 5.910 1.00 0.00 C ATOM 210 C GLU A 388 -5.114 1.780 5.025 1.00 0.00 C ATOM 211 O GLU A 388 -5.284 0.662 5.515 1.00 0.00 O ATOM 212 CB GLU A 388 -6.073 3.853 6.049 1.00 0.00 C ATOM 213 CG GLU A 388 -5.950 4.934 7.110 1.00 0.00 C ATOM 214 CD GLU A 388 -7.002 6.016 6.963 1.00 0.00 C ATOM 215 OE1 GLU A 388 -7.464 6.244 5.826 1.00 0.00 O ATOM 216 OE2 GLU A 388 -7.362 6.636 7.986 1.00 0.00 O ATOM 0 H GLU A 388 -3.968 4.724 5.103 1.00 0.00 H new ATOM 0 HA GLU A 388 -4.527 2.634 6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -6.289 4.321 5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.922 3.214 6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -6.036 4.480 8.097 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.959 5.385 7.051 1.00 0.00 H new ATOM 223 N LYS A 389 -5.157 2.016 3.716 1.00 0.00 N ATOM 224 CA LYS A 389 -5.415 0.945 2.761 1.00 0.00 C ATOM 225 C LYS A 389 -4.336 -0.122 2.875 1.00 0.00 C ATOM 226 O LYS A 389 -4.625 -1.319 2.861 1.00 0.00 O ATOM 227 CB LYS A 389 -5.453 1.495 1.334 1.00 0.00 C ATOM 228 CG LYS A 389 -6.837 1.944 0.891 1.00 0.00 C ATOM 229 CD LYS A 389 -7.435 2.944 1.866 1.00 0.00 C ATOM 230 CE LYS A 389 -8.086 4.110 1.142 1.00 0.00 C ATOM 231 NZ LYS A 389 -9.339 4.553 1.815 1.00 0.00 N ATOM 0 H LYS A 389 -5.017 2.935 3.295 1.00 0.00 H new ATOM 0 HA LYS A 389 -6.385 0.503 2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 389 -4.766 2.338 1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 389 -5.092 0.728 0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 389 -6.775 2.393 -0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 389 -7.493 1.077 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 389 -8.175 2.445 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 389 -6.655 3.317 2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 389 -7.386 4.944 1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 389 -8.308 3.821 0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 -9.752 5.350 1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 -10.018 3.765 1.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 -9.123 4.853 2.787 1.00 0.00 H new ATOM 245 N VAL A 390 -3.093 0.326 3.002 1.00 0.00 N ATOM 246 CA VAL A 390 -1.966 -0.585 3.135 1.00 0.00 C ATOM 247 C VAL A 390 -2.096 -1.405 4.414 1.00 0.00 C ATOM 248 O VAL A 390 -1.772 -2.592 4.440 1.00 0.00 O ATOM 249 CB VAL A 390 -0.622 0.169 3.147 1.00 0.00 C ATOM 250 CG1 VAL A 390 0.543 -0.802 3.288 1.00 0.00 C ATOM 251 CG2 VAL A 390 -0.472 1.007 1.886 1.00 0.00 C ATOM 0 H VAL A 390 -2.841 1.314 3.016 1.00 0.00 H new ATOM 0 HA VAL A 390 -1.980 -1.247 2.269 1.00 0.00 H new ATOM 0 HB VAL A 390 -0.612 0.836 4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 390 1.481 -0.247 3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 390 0.444 -1.356 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 390 0.539 -1.499 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 390 0.482 1.533 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -0.506 0.358 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -1.284 1.732 1.832 1.00 0.00 H new ATOM 261 N GLN A 391 -2.590 -0.764 5.471 1.00 0.00 N ATOM 262 CA GLN A 391 -2.780 -1.439 6.748 1.00 0.00 C ATOM 263 C GLN A 391 -3.764 -2.591 6.584 1.00 0.00 C ATOM 264 O GLN A 391 -3.446 -3.744 6.887 1.00 0.00 O ATOM 265 CB GLN A 391 -3.293 -0.456 7.802 1.00 0.00 C ATOM 266 CG GLN A 391 -2.314 0.664 8.117 1.00 0.00 C ATOM 267 CD GLN A 391 -1.449 0.357 9.323 1.00 0.00 C ATOM 268 OE1 GLN A 391 -1.409 -0.777 9.803 1.00 0.00 O ATOM 269 NE2 GLN A 391 -0.749 1.369 9.822 1.00 0.00 N ATOM 0 H GLN A 391 -2.864 0.218 5.467 1.00 0.00 H new ATOM 0 HA GLN A 391 -1.820 -1.834 7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 391 -4.230 -0.021 7.455 1.00 0.00 H new ATOM 0 HB3 GLN A 391 -3.515 -1.002 8.719 1.00 0.00 H new ATOM 0 HG2 GLN A 391 -1.676 0.838 7.251 1.00 0.00 H new ATOM 0 HG3 GLN A 391 -2.867 1.586 8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 391 -0.811 2.293 9.394 1.00 0.00 H new ATOM 0 HE22 GLN A 391 -0.149 1.223 10.634 1.00 0.00 H new ATOM 278 N TYR A 392 -4.955 -2.275 6.081 1.00 0.00 N ATOM 279 CA TYR A 392 -5.975 -3.288 5.854 1.00 0.00 C ATOM 280 C TYR A 392 -5.442 -4.354 4.905 1.00 0.00 C ATOM 281 O TYR A 392 -5.637 -5.551 5.120 1.00 0.00 O ATOM 282 CB TYR A 392 -7.241 -2.654 5.275 1.00 0.00 C ATOM 283 CG TYR A 392 -7.639 -1.363 5.954 1.00 0.00 C ATOM 284 CD1 TYR A 392 -7.652 -1.261 7.341 1.00 0.00 C ATOM 285 CD2 TYR A 392 -8.000 -0.247 5.212 1.00 0.00 C ATOM 286 CE1 TYR A 392 -8.014 -0.082 7.965 1.00 0.00 C ATOM 287 CE2 TYR A 392 -8.363 0.935 5.829 1.00 0.00 C ATOM 288 CZ TYR A 392 -8.369 1.013 7.205 1.00 0.00 C ATOM 289 OH TYR A 392 -8.730 2.188 7.823 1.00 0.00 O ATOM 0 H TYR A 392 -5.234 -1.328 5.825 1.00 0.00 H new ATOM 0 HA TYR A 392 -6.227 -3.751 6.808 1.00 0.00 H new ATOM 0 HB2 TYR A 392 -7.088 -2.463 4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 392 -8.063 -3.365 5.356 1.00 0.00 H new ATOM 0 HD1 TYR A 392 -7.375 -2.116 7.940 1.00 0.00 H new ATOM 0 HD2 TYR A 392 -7.997 -0.303 4.133 1.00 0.00 H new ATOM 0 HE1 TYR A 392 -8.019 -0.018 9.043 1.00 0.00 H new ATOM 0 HE2 TYR A 392 -8.641 1.794 5.236 1.00 0.00 H new ATOM 0 HH TYR A 392 -8.950 2.860 7.145 1.00 0.00 H new ATOM 299 N LEU A 393 -4.746 -3.904 3.863 1.00 0.00 N ATOM 300 CA LEU A 393 -4.160 -4.811 2.888 1.00 0.00 C ATOM 301 C LEU A 393 -3.129 -5.705 3.564 1.00 0.00 C ATOM 302 O LEU A 393 -3.043 -6.900 3.279 1.00 0.00 O ATOM 303 CB LEU A 393 -3.511 -4.022 1.749 1.00 0.00 C ATOM 304 CG LEU A 393 -4.309 -3.991 0.445 1.00 0.00 C ATOM 305 CD1 LEU A 393 -4.164 -2.643 -0.241 1.00 0.00 C ATOM 306 CD2 LEU A 393 -3.859 -5.113 -0.479 1.00 0.00 C ATOM 0 H LEU A 393 -4.576 -2.916 3.675 1.00 0.00 H new ATOM 0 HA LEU A 393 -4.950 -5.435 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 393 -3.350 -2.997 2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 393 -2.529 -4.449 1.546 1.00 0.00 H new ATOM 0 HG LEU A 393 -5.362 -4.140 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 393 -4.739 -2.642 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 393 -4.535 -1.858 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 393 -3.113 -2.461 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 393 -4.437 -5.077 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 393 -2.800 -4.993 -0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 393 -4.018 -6.074 0.011 1.00 0.00 H new ATOM 318 N GLU A 394 -2.359 -5.117 4.476 1.00 0.00 N ATOM 319 CA GLU A 394 -1.342 -5.859 5.213 1.00 0.00 C ATOM 320 C GLU A 394 -1.988 -7.002 5.984 1.00 0.00 C ATOM 321 O GLU A 394 -1.509 -8.136 5.957 1.00 0.00 O ATOM 322 CB GLU A 394 -0.595 -4.931 6.174 1.00 0.00 C ATOM 323 CG GLU A 394 0.663 -4.322 5.576 1.00 0.00 C ATOM 324 CD GLU A 394 1.768 -4.146 6.599 1.00 0.00 C ATOM 325 OE1 GLU A 394 2.342 -5.167 7.033 1.00 0.00 O ATOM 326 OE2 GLU A 394 2.059 -2.988 6.965 1.00 0.00 O ATOM 0 H GLU A 394 -2.421 -4.129 4.722 1.00 0.00 H new ATOM 0 HA GLU A 394 -0.626 -6.271 4.502 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -1.264 -4.129 6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -0.327 -5.489 7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 394 1.021 -4.958 4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 394 0.421 -3.354 5.138 1.00 0.00 H new ATOM 333 N GLN A 395 -3.089 -6.696 6.662 1.00 0.00 N ATOM 334 CA GLN A 395 -3.814 -7.701 7.427 1.00 0.00 C ATOM 335 C GLN A 395 -4.312 -8.804 6.500 1.00 0.00 C ATOM 336 O GLN A 395 -4.201 -9.991 6.809 1.00 0.00 O ATOM 337 CB GLN A 395 -4.990 -7.062 8.170 1.00 0.00 C ATOM 338 CG GLN A 395 -5.092 -7.485 9.625 1.00 0.00 C ATOM 339 CD GLN A 395 -5.755 -8.837 9.795 1.00 0.00 C ATOM 340 OE1 GLN A 395 -7.083 -8.844 9.846 1.00 0.00 O flip ATOM 341 NE2 GLN A 395 -5.083 -9.865 9.878 1.00 0.00 N flip ATOM 0 H GLN A 395 -3.497 -5.762 6.697 1.00 0.00 H new ATOM 0 HA GLN A 395 -3.137 -8.136 8.162 1.00 0.00 H new ATOM 0 HB2 GLN A 395 -4.893 -5.977 8.122 1.00 0.00 H new ATOM 0 HB3 GLN A 395 -5.917 -7.323 7.659 1.00 0.00 H new ATOM 0 HG2 GLN A 395 -4.093 -7.517 10.061 1.00 0.00 H new ATOM 0 HG3 GLN A 395 -5.657 -6.735 10.178 1.00 0.00 H new ATOM 0 HE21 GLN A 395 -4.065 -9.814 9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 395 -5.544 -10.768 9.991 1.00 0.00 H new ATOM 350 N GLU A 396 -4.853 -8.399 5.353 1.00 0.00 N ATOM 351 CA GLU A 396 -5.359 -9.349 4.370 1.00 0.00 C ATOM 352 C GLU A 396 -4.248 -10.288 3.914 1.00 0.00 C ATOM 353 O GLU A 396 -4.347 -11.504 4.069 1.00 0.00 O ATOM 354 CB GLU A 396 -5.944 -8.613 3.164 1.00 0.00 C ATOM 355 CG GLU A 396 -6.865 -7.464 3.542 1.00 0.00 C ATOM 356 CD GLU A 396 -8.214 -7.546 2.854 1.00 0.00 C ATOM 357 OE1 GLU A 396 -8.728 -8.671 2.687 1.00 0.00 O ATOM 358 OE2 GLU A 396 -8.755 -6.483 2.480 1.00 0.00 O ATOM 0 H GLU A 396 -4.951 -7.420 5.083 1.00 0.00 H new ATOM 0 HA GLU A 396 -6.147 -9.937 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 396 -5.128 -8.228 2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -6.496 -9.323 2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -7.012 -7.461 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 396 -6.386 -6.520 3.283 1.00 0.00 H new ATOM 365 N VAL A 397 -3.183 -9.715 3.358 1.00 0.00 N ATOM 366 CA VAL A 397 -2.051 -10.508 2.890 1.00 0.00 C ATOM 367 C VAL A 397 -1.547 -11.432 3.994 1.00 0.00 C ATOM 368 O VAL A 397 -1.149 -12.567 3.735 1.00 0.00 O ATOM 369 CB VAL A 397 -0.890 -9.615 2.404 1.00 0.00 C ATOM 370 CG1 VAL A 397 -0.407 -8.706 3.523 1.00 0.00 C ATOM 371 CG2 VAL A 397 0.251 -10.462 1.866 1.00 0.00 C ATOM 0 H VAL A 397 -3.081 -8.709 3.221 1.00 0.00 H new ATOM 0 HA VAL A 397 -2.405 -11.104 2.049 1.00 0.00 H new ATOM 0 HB VAL A 397 -1.258 -8.988 1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 397 0.412 -8.085 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 397 -1.227 -8.069 3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 397 -0.059 -9.312 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 397 1.059 -9.812 1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 397 0.619 -11.119 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 397 -0.105 -11.063 1.029 1.00 0.00 H new ATOM 381 N GLU A 398 -1.577 -10.939 5.229 1.00 0.00 N ATOM 382 CA GLU A 398 -1.135 -11.724 6.373 1.00 0.00 C ATOM 383 C GLU A 398 -2.032 -12.943 6.554 1.00 0.00 C ATOM 384 O GLU A 398 -1.557 -14.044 6.830 1.00 0.00 O ATOM 385 CB GLU A 398 -1.145 -10.872 7.643 1.00 0.00 C ATOM 386 CG GLU A 398 -0.007 -11.191 8.599 1.00 0.00 C ATOM 387 CD GLU A 398 1.098 -10.155 8.557 1.00 0.00 C ATOM 388 OE1 GLU A 398 1.249 -9.490 7.511 1.00 0.00 O ATOM 389 OE2 GLU A 398 1.813 -10.009 9.571 1.00 0.00 O ATOM 0 H GLU A 398 -1.903 -10.001 5.461 1.00 0.00 H new ATOM 0 HA GLU A 398 -0.115 -12.061 6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 398 -1.090 -9.820 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 398 -2.094 -11.016 8.160 1.00 0.00 H new ATOM 0 HG2 GLU A 398 -0.398 -11.258 9.614 1.00 0.00 H new ATOM 0 HG3 GLU A 398 0.407 -12.168 8.352 1.00 0.00 H new ATOM 396 N GLU A 399 -3.335 -12.736 6.389 1.00 0.00 N ATOM 397 CA GLU A 399 -4.305 -13.816 6.524 1.00 0.00 C ATOM 398 C GLU A 399 -4.547 -14.518 5.187 1.00 0.00 C ATOM 399 O GLU A 399 -5.309 -15.481 5.114 1.00 0.00 O ATOM 400 CB GLU A 399 -5.627 -13.275 7.074 1.00 0.00 C ATOM 401 CG GLU A 399 -5.710 -13.293 8.591 1.00 0.00 C ATOM 402 CD GLU A 399 -6.936 -12.574 9.117 1.00 0.00 C ATOM 403 OE1 GLU A 399 -6.944 -11.325 9.099 1.00 0.00 O ATOM 404 OE2 GLU A 399 -7.887 -13.259 9.548 1.00 0.00 O ATOM 0 H GLU A 399 -3.743 -11.829 6.161 1.00 0.00 H new ATOM 0 HA GLU A 399 -3.895 -14.546 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -5.765 -12.252 6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -6.448 -13.865 6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -5.723 -14.326 8.938 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -4.815 -12.828 9.006 1.00 0.00 H new ATOM 411 N PHE A 400 -3.895 -14.027 4.129 1.00 0.00 N ATOM 412 CA PHE A 400 -4.040 -14.602 2.791 1.00 0.00 C ATOM 413 C PHE A 400 -4.005 -16.128 2.837 1.00 0.00 C ATOM 414 O PHE A 400 -3.027 -16.724 3.290 1.00 0.00 O ATOM 415 CB PHE A 400 -2.933 -14.082 1.870 1.00 0.00 C ATOM 416 CG PHE A 400 -3.052 -14.556 0.450 1.00 0.00 C ATOM 417 CD1 PHE A 400 -3.946 -13.958 -0.427 1.00 0.00 C ATOM 418 CD2 PHE A 400 -2.268 -15.602 -0.015 1.00 0.00 C ATOM 419 CE1 PHE A 400 -4.055 -14.392 -1.728 1.00 0.00 C ATOM 420 CE2 PHE A 400 -2.375 -16.039 -1.321 1.00 0.00 C ATOM 421 CZ PHE A 400 -3.270 -15.434 -2.179 1.00 0.00 C ATOM 0 H PHE A 400 -3.260 -13.230 4.175 1.00 0.00 H new ATOM 0 HA PHE A 400 -5.009 -14.296 2.398 1.00 0.00 H new ATOM 0 HB2 PHE A 400 -2.946 -12.992 1.881 1.00 0.00 H new ATOM 0 HB3 PHE A 400 -1.967 -14.393 2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 400 -4.564 -13.142 -0.084 1.00 0.00 H new ATOM 0 HD2 PHE A 400 -1.566 -16.080 0.652 1.00 0.00 H new ATOM 0 HE1 PHE A 400 -4.756 -13.916 -2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 400 -1.758 -16.854 -1.670 1.00 0.00 H new ATOM 0 HZ PHE A 400 -3.356 -15.775 -3.200 1.00 0.00 H new ATOM 431 N VAL A 401 -5.081 -16.751 2.364 1.00 0.00 N ATOM 432 CA VAL A 401 -5.185 -18.208 2.347 1.00 0.00 C ATOM 433 C VAL A 401 -3.910 -18.850 1.809 1.00 0.00 C ATOM 434 O VAL A 401 -3.423 -19.844 2.351 1.00 0.00 O ATOM 435 CB VAL A 401 -6.380 -18.668 1.492 1.00 0.00 C ATOM 436 CG1 VAL A 401 -6.225 -18.191 0.055 1.00 0.00 C ATOM 437 CG2 VAL A 401 -6.533 -20.182 1.545 1.00 0.00 C ATOM 0 H VAL A 401 -5.896 -16.268 1.986 1.00 0.00 H new ATOM 0 HA VAL A 401 -5.336 -18.528 3.378 1.00 0.00 H new ATOM 0 HB VAL A 401 -7.286 -18.223 1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 401 -7.079 -18.526 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 401 -6.176 -17.102 0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 401 -5.309 -18.603 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 401 -7.384 -20.483 0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 401 -5.627 -20.653 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 401 -6.698 -20.495 2.576 1.00 0.00 H new ATOM 447 N GLY A 402 -3.373 -18.275 0.740 1.00 0.00 N ATOM 448 CA GLY A 402 -2.159 -18.799 0.143 1.00 0.00 C ATOM 449 C GLY A 402 -2.375 -19.292 -1.273 1.00 0.00 C ATOM 450 O GLY A 402 -1.660 -20.175 -1.747 1.00 0.00 O ATOM 0 H GLY A 402 -3.758 -17.453 0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 402 -1.394 -18.022 0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 402 -1.781 -19.617 0.756 1.00 0.00 H new ATOM 454 N LYS A 403 -3.364 -18.720 -1.955 1.00 0.00 N ATOM 455 CA LYS A 403 -3.668 -19.109 -3.326 1.00 0.00 C ATOM 456 C LYS A 403 -4.160 -17.914 -4.136 1.00 0.00 C ATOM 457 O LYS A 403 -5.022 -17.158 -3.689 1.00 0.00 O ATOM 458 CB LYS A 403 -4.719 -20.220 -3.343 1.00 0.00 C ATOM 459 CG LYS A 403 -4.128 -21.617 -3.239 1.00 0.00 C ATOM 460 CD LYS A 403 -3.904 -22.229 -4.612 1.00 0.00 C ATOM 461 CE LYS A 403 -3.461 -23.680 -4.508 1.00 0.00 C ATOM 462 NZ LYS A 403 -2.295 -23.840 -3.597 1.00 0.00 N ATOM 0 H LYS A 403 -3.966 -17.987 -1.580 1.00 0.00 H new ATOM 0 HA LYS A 403 -2.750 -19.480 -3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -5.413 -20.065 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -5.298 -20.147 -4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -3.182 -21.574 -2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -4.796 -22.254 -2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -4.824 -22.169 -5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -3.150 -21.654 -5.149 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -4.290 -24.288 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -3.201 -24.052 -5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -1.907 -24.800 -3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -1.563 -23.144 -3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -2.599 -23.688 -2.614 1.00 0.00 H new ATOM 476 N LYS A 404 -3.602 -17.750 -5.332 1.00 0.00 N ATOM 477 CA LYS A 404 -3.978 -16.646 -6.209 1.00 0.00 C ATOM 478 C LYS A 404 -5.380 -16.840 -6.788 1.00 0.00 C ATOM 479 O LYS A 404 -5.927 -15.935 -7.419 1.00 0.00 O ATOM 480 CB LYS A 404 -2.962 -16.508 -7.346 1.00 0.00 C ATOM 481 CG LYS A 404 -2.929 -17.703 -8.281 1.00 0.00 C ATOM 482 CD LYS A 404 -3.858 -17.509 -9.468 1.00 0.00 C ATOM 483 CE LYS A 404 -3.240 -18.039 -10.752 1.00 0.00 C ATOM 484 NZ LYS A 404 -4.036 -17.657 -11.951 1.00 0.00 N ATOM 0 H LYS A 404 -2.887 -18.368 -5.716 1.00 0.00 H new ATOM 0 HA LYS A 404 -3.983 -15.735 -5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 404 -3.194 -15.613 -7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 404 -1.969 -16.364 -6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 404 -1.911 -17.860 -8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 404 -3.218 -18.601 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 404 -4.802 -18.020 -9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 404 -4.086 -16.449 -9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 404 -2.225 -17.654 -10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 404 -3.165 -19.125 -10.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 404 -3.581 -18.038 -12.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 404 -4.997 -18.046 -11.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 404 -4.087 -16.620 -12.018 1.00 0.00 H new ATOM 498 N THR A 405 -5.958 -18.020 -6.577 1.00 0.00 N ATOM 499 CA THR A 405 -7.293 -18.315 -7.086 1.00 0.00 C ATOM 500 C THR A 405 -8.359 -17.565 -6.291 1.00 0.00 C ATOM 501 O THR A 405 -9.428 -17.251 -6.815 1.00 0.00 O ATOM 502 CB THR A 405 -7.561 -19.819 -7.029 1.00 0.00 C ATOM 503 OG1 THR A 405 -7.538 -20.282 -5.691 1.00 0.00 O ATOM 504 CG2 THR A 405 -6.557 -20.635 -7.816 1.00 0.00 C ATOM 0 H THR A 405 -5.524 -18.784 -6.059 1.00 0.00 H new ATOM 0 HA THR A 405 -7.341 -17.983 -8.123 1.00 0.00 H new ATOM 0 HB THR A 405 -8.546 -19.955 -7.476 1.00 0.00 H new ATOM 0 HG1 THR A 405 -7.713 -21.246 -5.675 1.00 0.00 H new ATOM 0 HG21 THR A 405 -6.804 -21.693 -7.734 1.00 0.00 H new ATOM 0 HG22 THR A 405 -6.586 -20.336 -8.864 1.00 0.00 H new ATOM 0 HG23 THR A 405 -5.557 -20.464 -7.417 1.00 0.00 H new ATOM 512 N ASP A 406 -8.063 -17.282 -5.027 1.00 0.00 N ATOM 513 CA ASP A 406 -8.999 -16.570 -4.165 1.00 0.00 C ATOM 514 C ASP A 406 -9.127 -15.108 -4.589 1.00 0.00 C ATOM 515 O ASP A 406 -8.278 -14.586 -5.312 1.00 0.00 O ATOM 516 CB ASP A 406 -8.545 -16.651 -2.707 1.00 0.00 C ATOM 517 CG ASP A 406 -9.711 -16.724 -1.741 1.00 0.00 C ATOM 518 OD1 ASP A 406 -10.787 -16.181 -2.067 1.00 0.00 O ATOM 519 OD2 ASP A 406 -9.548 -17.325 -0.658 1.00 0.00 O ATOM 0 H ASP A 406 -7.183 -17.535 -4.577 1.00 0.00 H new ATOM 0 HA ASP A 406 -9.975 -17.045 -4.262 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -7.912 -17.528 -2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -7.935 -15.779 -2.470 1.00 0.00 H new ATOM 524 N LYS A 407 -10.192 -14.457 -4.135 1.00 0.00 N ATOM 525 CA LYS A 407 -10.431 -13.056 -4.467 1.00 0.00 C ATOM 526 C LYS A 407 -9.453 -12.144 -3.733 1.00 0.00 C ATOM 527 O LYS A 407 -9.159 -11.037 -4.190 1.00 0.00 O ATOM 528 CB LYS A 407 -11.870 -12.666 -4.123 1.00 0.00 C ATOM 529 CG LYS A 407 -12.265 -13.002 -2.694 1.00 0.00 C ATOM 530 CD LYS A 407 -13.502 -12.230 -2.263 1.00 0.00 C ATOM 531 CE LYS A 407 -14.746 -12.724 -2.984 1.00 0.00 C ATOM 532 NZ LYS A 407 -15.825 -11.698 -2.998 1.00 0.00 N ATOM 0 H LYS A 407 -10.904 -14.876 -3.536 1.00 0.00 H new ATOM 0 HA LYS A 407 -10.275 -12.933 -5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 407 -11.996 -11.595 -4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 407 -12.549 -13.174 -4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 407 -12.455 -14.072 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 407 -11.438 -12.771 -2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 407 -13.639 -12.332 -1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 407 -13.359 -11.169 -2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 407 -14.489 -12.994 -4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 407 -15.112 -13.629 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 407 -16.655 -12.074 -3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 407 -16.089 -11.459 -2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 407 -15.485 -10.844 -3.484 1.00 0.00 H new ATOM 546 N ALA A 408 -8.953 -12.614 -2.593 1.00 0.00 N ATOM 547 CA ALA A 408 -8.008 -11.839 -1.796 1.00 0.00 C ATOM 548 C ALA A 408 -6.834 -11.361 -2.642 1.00 0.00 C ATOM 549 O ALA A 408 -6.541 -10.167 -2.695 1.00 0.00 O ATOM 550 CB ALA A 408 -7.511 -12.666 -0.619 1.00 0.00 C ATOM 0 H ALA A 408 -9.186 -13.526 -2.201 1.00 0.00 H new ATOM 0 HA ALA A 408 -8.528 -10.959 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 408 -6.807 -12.077 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 408 -8.356 -12.951 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 408 -7.014 -13.563 -0.989 1.00 0.00 H new ATOM 556 N TYR A 409 -6.163 -12.300 -3.304 1.00 0.00 N ATOM 557 CA TYR A 409 -5.021 -11.969 -4.148 1.00 0.00 C ATOM 558 C TYR A 409 -5.415 -10.965 -5.226 1.00 0.00 C ATOM 559 O TYR A 409 -4.655 -10.048 -5.541 1.00 0.00 O ATOM 560 CB TYR A 409 -4.451 -13.232 -4.791 1.00 0.00 C ATOM 561 CG TYR A 409 -3.011 -13.087 -5.230 1.00 0.00 C ATOM 562 CD1 TYR A 409 -2.042 -12.622 -4.350 1.00 0.00 C ATOM 563 CD2 TYR A 409 -2.621 -13.413 -6.523 1.00 0.00 C ATOM 564 CE1 TYR A 409 -0.725 -12.487 -4.745 1.00 0.00 C ATOM 565 CE2 TYR A 409 -1.306 -13.281 -6.926 1.00 0.00 C ATOM 566 CZ TYR A 409 -0.361 -12.817 -6.034 1.00 0.00 C ATOM 567 OH TYR A 409 0.948 -12.684 -6.432 1.00 0.00 O ATOM 0 H TYR A 409 -6.391 -13.294 -3.272 1.00 0.00 H new ATOM 0 HA TYR A 409 -4.255 -11.516 -3.519 1.00 0.00 H new ATOM 0 HB2 TYR A 409 -4.525 -14.057 -4.082 1.00 0.00 H new ATOM 0 HB3 TYR A 409 -5.061 -13.498 -5.654 1.00 0.00 H new ATOM 0 HD1 TYR A 409 -2.323 -12.362 -3.340 1.00 0.00 H new ATOM 0 HD2 TYR A 409 -3.358 -13.776 -7.225 1.00 0.00 H new ATOM 0 HE1 TYR A 409 0.016 -12.125 -4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 409 -1.019 -13.540 -7.935 1.00 0.00 H new ATOM 0 HH TYR A 409 1.035 -12.960 -7.368 1.00 0.00 H new ATOM 577 N TRP A 410 -6.612 -11.137 -5.783 1.00 0.00 N ATOM 578 CA TRP A 410 -7.106 -10.237 -6.819 1.00 0.00 C ATOM 579 C TRP A 410 -7.116 -8.800 -6.310 1.00 0.00 C ATOM 580 O TRP A 410 -6.379 -7.947 -6.805 1.00 0.00 O ATOM 581 CB TRP A 410 -8.515 -10.640 -7.256 1.00 0.00 C ATOM 582 CG TRP A 410 -8.610 -12.049 -7.760 1.00 0.00 C ATOM 583 CD1 TRP A 410 -7.578 -12.870 -8.112 1.00 0.00 C ATOM 584 CD2 TRP A 410 -9.811 -12.801 -7.969 1.00 0.00 C ATOM 585 NE1 TRP A 410 -8.064 -14.086 -8.528 1.00 0.00 N ATOM 586 CE2 TRP A 410 -9.432 -14.069 -8.448 1.00 0.00 C ATOM 587 CE3 TRP A 410 -11.170 -12.523 -7.795 1.00 0.00 C ATOM 588 CZ2 TRP A 410 -10.364 -15.057 -8.755 1.00 0.00 C ATOM 589 CZ3 TRP A 410 -12.094 -13.504 -8.099 1.00 0.00 C ATOM 590 CH2 TRP A 410 -11.688 -14.759 -8.575 1.00 0.00 C ATOM 0 H TRP A 410 -7.255 -11.889 -5.534 1.00 0.00 H new ATOM 0 HA TRP A 410 -6.439 -10.307 -7.678 1.00 0.00 H new ATOM 0 HB2 TRP A 410 -9.196 -10.518 -6.414 1.00 0.00 H new ATOM 0 HB3 TRP A 410 -8.851 -9.960 -8.039 1.00 0.00 H new ATOM 0 HD1 TRP A 410 -6.532 -12.603 -8.070 1.00 0.00 H new ATOM 0 HE1 TRP A 410 -7.498 -14.873 -8.845 1.00 0.00 H new ATOM 0 HE3 TRP A 410 -11.492 -11.559 -7.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 410 -10.053 -16.024 -9.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 410 -13.147 -13.301 -7.968 1.00 0.00 H new ATOM 0 HH2 TRP A 410 -12.434 -15.505 -8.804 1.00 0.00 H new ATOM 601 N LEU A 411 -7.952 -8.545 -5.307 1.00 0.00 N ATOM 602 CA LEU A 411 -8.047 -7.215 -4.722 1.00 0.00 C ATOM 603 C LEU A 411 -6.720 -6.820 -4.085 1.00 0.00 C ATOM 604 O LEU A 411 -6.388 -5.639 -4.000 1.00 0.00 O ATOM 605 CB LEU A 411 -9.166 -7.168 -3.678 1.00 0.00 C ATOM 606 CG LEU A 411 -9.036 -8.187 -2.543 1.00 0.00 C ATOM 607 CD1 LEU A 411 -8.148 -7.644 -1.434 1.00 0.00 C ATOM 608 CD2 LEU A 411 -10.412 -8.549 -2.002 1.00 0.00 C ATOM 0 H LEU A 411 -8.569 -9.239 -4.886 1.00 0.00 H new ATOM 0 HA LEU A 411 -8.280 -6.506 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 411 -9.197 -6.168 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 411 -10.119 -7.328 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 411 -8.570 -9.090 -2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 411 -8.068 -8.383 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 411 -7.156 -7.432 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 411 -8.582 -6.727 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 411 -10.306 -9.274 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 411 -10.901 -7.652 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 411 -11.015 -8.980 -2.801 1.00 0.00 H new ATOM 620 N LEU A 412 -5.960 -7.822 -3.648 1.00 0.00 N ATOM 621 CA LEU A 412 -4.662 -7.583 -3.028 1.00 0.00 C ATOM 622 C LEU A 412 -3.766 -6.772 -3.960 1.00 0.00 C ATOM 623 O LEU A 412 -3.440 -5.618 -3.679 1.00 0.00 O ATOM 624 CB LEU A 412 -3.988 -8.916 -2.692 1.00 0.00 C ATOM 625 CG LEU A 412 -4.230 -9.437 -1.273 1.00 0.00 C ATOM 626 CD1 LEU A 412 -3.802 -10.893 -1.160 1.00 0.00 C ATOM 627 CD2 LEU A 412 -3.485 -8.580 -0.260 1.00 0.00 C ATOM 0 H LEU A 412 -6.222 -8.806 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 412 -4.816 -7.017 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -4.336 -9.668 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -2.914 -8.808 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 412 -5.297 -9.376 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -3.981 -11.247 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -4.377 -11.497 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -2.741 -10.979 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -3.667 -8.963 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -2.416 -8.612 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -3.837 -7.551 -0.325 1.00 0.00 H new ATOM 639 N GLU A 413 -3.376 -7.386 -5.072 1.00 0.00 N ATOM 640 CA GLU A 413 -2.521 -6.726 -6.052 1.00 0.00 C ATOM 641 C GLU A 413 -3.223 -5.513 -6.655 1.00 0.00 C ATOM 642 O GLU A 413 -2.606 -4.468 -6.864 1.00 0.00 O ATOM 643 CB GLU A 413 -2.123 -7.705 -7.158 1.00 0.00 C ATOM 644 CG GLU A 413 -3.307 -8.402 -7.808 1.00 0.00 C ATOM 645 CD GLU A 413 -3.641 -7.834 -9.175 1.00 0.00 C ATOM 646 OE1 GLU A 413 -4.410 -6.852 -9.236 1.00 0.00 O ATOM 647 OE2 GLU A 413 -3.131 -8.371 -10.181 1.00 0.00 O ATOM 0 H GLU A 413 -3.639 -8.341 -5.317 1.00 0.00 H new ATOM 0 HA GLU A 413 -1.621 -6.385 -5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -1.563 -7.168 -7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -1.453 -8.457 -6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -3.090 -9.466 -7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -4.178 -8.312 -7.159 1.00 0.00 H new ATOM 654 N GLU A 414 -4.515 -5.658 -6.933 1.00 0.00 N ATOM 655 CA GLU A 414 -5.298 -4.571 -7.510 1.00 0.00 C ATOM 656 C GLU A 414 -5.280 -3.350 -6.599 1.00 0.00 C ATOM 657 O GLU A 414 -4.874 -2.261 -7.009 1.00 0.00 O ATOM 658 CB GLU A 414 -6.740 -5.024 -7.748 1.00 0.00 C ATOM 659 CG GLU A 414 -6.937 -5.769 -9.058 1.00 0.00 C ATOM 660 CD GLU A 414 -8.371 -5.717 -9.547 1.00 0.00 C ATOM 661 OE1 GLU A 414 -8.798 -4.647 -10.027 1.00 0.00 O ATOM 662 OE2 GLU A 414 -9.068 -6.749 -9.450 1.00 0.00 O ATOM 0 H GLU A 414 -5.041 -6.516 -6.768 1.00 0.00 H new ATOM 0 HA GLU A 414 -4.849 -4.298 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -7.050 -5.667 -6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -7.393 -4.151 -7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -6.282 -5.341 -9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -6.638 -6.809 -8.929 1.00 0.00 H new ATOM 669 N MET A 415 -5.718 -3.539 -5.359 1.00 0.00 N ATOM 670 CA MET A 415 -5.750 -2.455 -4.384 1.00 0.00 C ATOM 671 C MET A 415 -4.354 -1.879 -4.172 1.00 0.00 C ATOM 672 O MET A 415 -4.189 -0.669 -4.008 1.00 0.00 O ATOM 673 CB MET A 415 -6.322 -2.953 -3.054 1.00 0.00 C ATOM 674 CG MET A 415 -7.817 -3.220 -3.097 1.00 0.00 C ATOM 675 SD MET A 415 -8.661 -2.692 -1.593 1.00 0.00 S ATOM 676 CE MET A 415 -10.324 -2.439 -2.209 1.00 0.00 C ATOM 0 H MET A 415 -6.056 -4.434 -5.005 1.00 0.00 H new ATOM 0 HA MET A 415 -6.394 -1.666 -4.771 1.00 0.00 H new ATOM 0 HB2 MET A 415 -5.806 -3.869 -2.766 1.00 0.00 H new ATOM 0 HB3 MET A 415 -6.115 -2.214 -2.280 1.00 0.00 H new ATOM 0 HG2 MET A 415 -8.250 -2.702 -3.953 1.00 0.00 H new ATOM 0 HG3 MET A 415 -7.988 -4.286 -3.250 1.00 0.00 H new ATOM 0 HE1 MET A 415 -10.968 -2.109 -1.394 1.00 0.00 H new ATOM 0 HE2 MET A 415 -10.311 -1.680 -2.991 1.00 0.00 H new ATOM 0 HE3 MET A 415 -10.707 -3.374 -2.618 1.00 0.00 H new ATOM 686 N LEU A 416 -3.350 -2.752 -4.182 1.00 0.00 N ATOM 687 CA LEU A 416 -1.966 -2.327 -3.996 1.00 0.00 C ATOM 688 C LEU A 416 -1.558 -1.328 -5.076 1.00 0.00 C ATOM 689 O LEU A 416 -1.113 -0.220 -4.777 1.00 0.00 O ATOM 690 CB LEU A 416 -1.027 -3.540 -4.025 1.00 0.00 C ATOM 691 CG LEU A 416 -0.217 -3.784 -2.744 1.00 0.00 C ATOM 692 CD1 LEU A 416 0.295 -2.474 -2.162 1.00 0.00 C ATOM 693 CD2 LEU A 416 -1.054 -4.540 -1.722 1.00 0.00 C ATOM 0 H LEU A 416 -3.469 -3.756 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 416 -1.888 -1.840 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 416 -1.620 -4.431 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 416 -0.331 -3.418 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 416 0.649 -4.395 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 416 0.865 -2.677 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 416 0.936 -1.978 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 416 -0.549 -1.828 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 416 -0.465 -4.705 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 416 -1.941 -3.956 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 416 -1.356 -5.501 -2.139 1.00 0.00 H new ATOM 705 N THR A 417 -1.716 -1.732 -6.334 1.00 0.00 N ATOM 706 CA THR A 417 -1.365 -0.876 -7.463 1.00 0.00 C ATOM 707 C THR A 417 -2.146 0.432 -7.418 1.00 0.00 C ATOM 708 O THR A 417 -1.593 1.505 -7.658 1.00 0.00 O ATOM 709 CB THR A 417 -1.636 -1.601 -8.781 1.00 0.00 C ATOM 710 OG1 THR A 417 -2.756 -2.458 -8.662 1.00 0.00 O ATOM 711 CG2 THR A 417 -0.466 -2.438 -9.256 1.00 0.00 C ATOM 0 H THR A 417 -2.085 -2.646 -6.597 1.00 0.00 H new ATOM 0 HA THR A 417 -0.302 -0.645 -7.395 1.00 0.00 H new ATOM 0 HB THR A 417 -1.819 -0.812 -9.511 1.00 0.00 H new ATOM 0 HG1 THR A 417 -3.409 -2.060 -8.049 1.00 0.00 H new ATOM 0 HG21 THR A 417 -0.725 -2.925 -10.196 1.00 0.00 H new ATOM 0 HG22 THR A 417 0.403 -1.797 -9.407 1.00 0.00 H new ATOM 0 HG23 THR A 417 -0.232 -3.195 -8.507 1.00 0.00 H new ATOM 719 N LYS A 418 -3.436 0.337 -7.111 1.00 0.00 N ATOM 720 CA LYS A 418 -4.293 1.515 -7.036 1.00 0.00 C ATOM 721 C LYS A 418 -3.719 2.544 -6.064 1.00 0.00 C ATOM 722 O LYS A 418 -3.415 3.674 -6.449 1.00 0.00 O ATOM 723 CB LYS A 418 -5.705 1.119 -6.601 1.00 0.00 C ATOM 724 CG LYS A 418 -6.546 0.536 -7.725 1.00 0.00 C ATOM 725 CD LYS A 418 -7.924 0.122 -7.234 1.00 0.00 C ATOM 726 CE LYS A 418 -8.892 -0.071 -8.390 1.00 0.00 C ATOM 727 NZ LYS A 418 -9.745 1.131 -8.607 1.00 0.00 N ATOM 0 H LYS A 418 -3.911 -0.543 -6.910 1.00 0.00 H new ATOM 0 HA LYS A 418 -4.339 1.963 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 418 -5.637 0.390 -5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 418 -6.211 1.996 -6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 418 -6.649 1.272 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 418 -6.036 -0.328 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 418 -7.846 -0.804 -6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 418 -8.313 0.881 -6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 418 -8.332 -0.288 -9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 418 -9.526 -0.935 -8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 -10.391 0.959 -9.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 -10.298 1.324 -7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 -9.142 1.951 -8.821 1.00 0.00 H new ATOM 741 N GLU A 419 -3.572 2.143 -4.805 1.00 0.00 N ATOM 742 CA GLU A 419 -3.032 3.029 -3.781 1.00 0.00 C ATOM 743 C GLU A 419 -1.640 3.520 -4.164 1.00 0.00 C ATOM 744 O GLU A 419 -1.271 4.658 -3.874 1.00 0.00 O ATOM 745 CB GLU A 419 -2.980 2.311 -2.432 1.00 0.00 C ATOM 746 CG GLU A 419 -4.348 2.089 -1.807 1.00 0.00 C ATOM 747 CD GLU A 419 -5.179 3.357 -1.753 1.00 0.00 C ATOM 748 OE1 GLU A 419 -4.629 4.411 -1.367 1.00 0.00 O ATOM 749 OE2 GLU A 419 -6.378 3.296 -2.096 1.00 0.00 O ATOM 0 H GLU A 419 -3.819 1.212 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 419 -3.691 3.893 -3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 419 -2.488 1.347 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 419 -2.366 2.892 -1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 419 -4.885 1.331 -2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 419 -4.223 1.698 -0.797 1.00 0.00 H new ATOM 756 N LEU A 420 -0.873 2.655 -4.822 1.00 0.00 N ATOM 757 CA LEU A 420 0.477 3.005 -5.249 1.00 0.00 C ATOM 758 C LEU A 420 0.454 4.222 -6.169 1.00 0.00 C ATOM 759 O LEU A 420 1.184 5.189 -5.956 1.00 0.00 O ATOM 760 CB LEU A 420 1.132 1.822 -5.964 1.00 0.00 C ATOM 761 CG LEU A 420 2.632 1.970 -6.219 1.00 0.00 C ATOM 762 CD1 LEU A 420 3.285 0.604 -6.375 1.00 0.00 C ATOM 763 CD2 LEU A 420 2.882 2.826 -7.452 1.00 0.00 C ATOM 0 H LEU A 420 -1.163 1.709 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 420 1.061 3.251 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 420 0.967 0.922 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.630 1.671 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 420 3.079 2.468 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 420 4.353 0.730 -6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 420 3.137 0.024 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 420 2.834 0.079 -7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.955 2.920 -7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.420 2.356 -8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.450 3.815 -7.302 1.00 0.00 H new ATOM 775 N LEU A 421 -0.394 4.165 -7.190 1.00 0.00 N ATOM 776 CA LEU A 421 -0.519 5.264 -8.140 1.00 0.00 C ATOM 777 C LEU A 421 -1.058 6.512 -7.450 1.00 0.00 C ATOM 778 O LEU A 421 -0.586 7.621 -7.696 1.00 0.00 O ATOM 779 CB LEU A 421 -1.440 4.867 -9.296 1.00 0.00 C ATOM 780 CG LEU A 421 -0.978 3.654 -10.105 1.00 0.00 C ATOM 781 CD1 LEU A 421 -1.984 3.328 -11.199 1.00 0.00 C ATOM 782 CD2 LEU A 421 0.398 3.906 -10.702 1.00 0.00 C ATOM 0 H LEU A 421 -1.004 3.370 -7.381 1.00 0.00 H new ATOM 0 HA LEU A 421 0.472 5.486 -8.537 1.00 0.00 H new ATOM 0 HB2 LEU A 421 -2.432 4.661 -8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 421 -1.539 5.718 -9.970 1.00 0.00 H new ATOM 0 HG LEU A 421 -0.911 2.797 -9.435 1.00 0.00 H new ATOM 0 HD11 LEU A 421 -1.639 2.462 -11.764 1.00 0.00 H new ATOM 0 HD12 LEU A 421 -2.951 3.105 -10.749 1.00 0.00 H new ATOM 0 HD13 LEU A 421 -2.083 4.182 -11.868 1.00 0.00 H new ATOM 0 HD21 LEU A 421 0.712 3.033 -11.274 1.00 0.00 H new ATOM 0 HD22 LEU A 421 0.356 4.775 -11.359 1.00 0.00 H new ATOM 0 HD23 LEU A 421 1.114 4.091 -9.901 1.00 0.00 H new ATOM 794 N GLU A 422 -2.047 6.320 -6.584 1.00 0.00 N ATOM 795 CA GLU A 422 -2.648 7.431 -5.853 1.00 0.00 C ATOM 796 C GLU A 422 -1.632 8.075 -4.914 1.00 0.00 C ATOM 797 O GLU A 422 -1.670 9.282 -4.675 1.00 0.00 O ATOM 798 CB GLU A 422 -3.862 6.950 -5.058 1.00 0.00 C ATOM 799 CG GLU A 422 -5.104 6.744 -5.909 1.00 0.00 C ATOM 800 CD GLU A 422 -5.827 8.042 -6.209 1.00 0.00 C ATOM 801 OE1 GLU A 422 -5.613 9.025 -5.469 1.00 0.00 O ATOM 802 OE2 GLU A 422 -6.605 8.076 -7.185 1.00 0.00 O ATOM 0 H GLU A 422 -2.449 5.407 -6.371 1.00 0.00 H new ATOM 0 HA GLU A 422 -2.972 8.178 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 422 -3.612 6.012 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 422 -4.084 7.676 -4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 422 -4.822 6.264 -6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 422 -5.784 6.064 -5.395 1.00 0.00 H new ATOM 809 N LEU A 423 -0.725 7.260 -4.385 1.00 0.00 N ATOM 810 CA LEU A 423 0.302 7.748 -3.473 1.00 0.00 C ATOM 811 C LEU A 423 1.341 8.579 -4.219 1.00 0.00 C ATOM 812 O LEU A 423 1.638 9.710 -3.835 1.00 0.00 O ATOM 813 CB LEU A 423 0.981 6.573 -2.763 1.00 0.00 C ATOM 814 CG LEU A 423 2.203 6.942 -1.915 1.00 0.00 C ATOM 815 CD1 LEU A 423 1.799 7.841 -0.757 1.00 0.00 C ATOM 816 CD2 LEU A 423 2.893 5.686 -1.404 1.00 0.00 C ATOM 0 H LEU A 423 -0.681 6.258 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 423 -0.178 8.384 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 423 0.248 6.084 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 423 1.286 5.843 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 423 2.906 7.490 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 423 2.680 8.092 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 423 1.350 8.755 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 423 1.077 7.321 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 423 3.759 5.965 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 423 2.197 5.112 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 423 3.218 5.080 -2.250 1.00 0.00 H new ATOM 828 N ASP A 424 1.890 8.009 -5.286 1.00 0.00 N ATOM 829 CA ASP A 424 2.900 8.697 -6.087 1.00 0.00 C ATOM 830 C ASP A 424 2.398 10.061 -6.558 1.00 0.00 C ATOM 831 O ASP A 424 3.191 10.957 -6.846 1.00 0.00 O ATOM 832 CB ASP A 424 3.288 7.841 -7.295 1.00 0.00 C ATOM 833 CG ASP A 424 4.456 6.922 -6.999 1.00 0.00 C ATOM 834 OD1 ASP A 424 4.487 6.338 -5.895 1.00 0.00 O ATOM 835 OD2 ASP A 424 5.339 6.785 -7.873 1.00 0.00 O ATOM 0 H ASP A 424 1.654 7.074 -5.617 1.00 0.00 H new ATOM 0 HA ASP A 424 3.777 8.854 -5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 424 2.430 7.245 -7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 424 3.544 8.492 -8.131 1.00 0.00 H new ATOM 840 N SER A 425 1.078 10.211 -6.636 1.00 0.00 N ATOM 841 CA SER A 425 0.478 11.465 -7.074 1.00 0.00 C ATOM 842 C SER A 425 0.056 12.320 -5.882 1.00 0.00 C ATOM 843 O SER A 425 -0.982 12.980 -5.915 1.00 0.00 O ATOM 844 CB SER A 425 -0.731 11.189 -7.970 1.00 0.00 C ATOM 845 OG SER A 425 -0.341 11.052 -9.325 1.00 0.00 O ATOM 0 H SER A 425 0.406 9.480 -6.402 1.00 0.00 H new ATOM 0 HA SER A 425 1.228 12.015 -7.642 1.00 0.00 H new ATOM 0 HB2 SER A 425 -1.233 10.280 -7.639 1.00 0.00 H new ATOM 0 HB3 SER A 425 -1.451 12.002 -7.876 1.00 0.00 H new ATOM 0 HG SER A 425 -1.131 10.874 -9.877 1.00 0.00 H new ATOM 851 N VAL A 426 0.870 12.306 -4.830 1.00 0.00 N ATOM 852 CA VAL A 426 0.578 13.083 -3.631 1.00 0.00 C ATOM 853 C VAL A 426 1.456 14.329 -3.556 1.00 0.00 C ATOM 854 O VAL A 426 2.630 14.296 -3.926 1.00 0.00 O ATOM 855 CB VAL A 426 0.775 12.244 -2.352 1.00 0.00 C ATOM 856 CG1 VAL A 426 2.228 11.820 -2.201 1.00 0.00 C ATOM 857 CG2 VAL A 426 0.310 13.021 -1.128 1.00 0.00 C ATOM 0 H VAL A 426 1.734 11.766 -4.784 1.00 0.00 H new ATOM 0 HA VAL A 426 -0.467 13.384 -3.696 1.00 0.00 H new ATOM 0 HB VAL A 426 0.168 11.343 -2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 426 2.342 11.230 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 426 2.524 11.221 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 426 2.861 12.705 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 426 0.456 12.414 -0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 426 0.888 13.941 -1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -0.747 13.265 -1.232 1.00 0.00 H new ATOM 867 N GLU A 427 0.880 15.425 -3.073 1.00 0.00 N ATOM 868 CA GLU A 427 1.611 16.680 -2.948 1.00 0.00 C ATOM 869 C GLU A 427 2.508 16.668 -1.716 1.00 0.00 C ATOM 870 O GLU A 427 2.205 16.008 -0.721 1.00 0.00 O ATOM 871 CB GLU A 427 0.636 17.856 -2.871 1.00 0.00 C ATOM 872 CG GLU A 427 1.141 19.111 -3.564 1.00 0.00 C ATOM 873 CD GLU A 427 0.838 20.373 -2.778 1.00 0.00 C ATOM 874 OE1 GLU A 427 1.671 20.761 -1.932 1.00 0.00 O ATOM 875 OE2 GLU A 427 -0.233 20.973 -3.009 1.00 0.00 O ATOM 0 H GLU A 427 -0.090 15.469 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 427 2.240 16.794 -3.831 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -0.313 17.560 -3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 427 0.437 18.084 -1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 427 2.218 19.031 -3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.686 19.184 -4.552 1.00 0.00 H new ATOM 882 N THR A 428 3.614 17.402 -1.788 1.00 0.00 N ATOM 883 CA THR A 428 4.556 17.476 -0.677 1.00 0.00 C ATOM 884 C THR A 428 5.529 18.636 -0.865 1.00 0.00 C ATOM 885 O THR A 428 6.687 18.436 -1.228 1.00 0.00 O ATOM 886 CB THR A 428 5.328 16.162 -0.546 1.00 0.00 C ATOM 887 OG1 THR A 428 6.384 16.291 0.388 1.00 0.00 O ATOM 888 CG2 THR A 428 5.928 15.688 -1.854 1.00 0.00 C ATOM 0 H THR A 428 3.880 17.954 -2.604 1.00 0.00 H new ATOM 0 HA THR A 428 3.988 17.647 0.237 1.00 0.00 H new ATOM 0 HB THR A 428 4.594 15.428 -0.213 1.00 0.00 H new ATOM 0 HG1 THR A 428 6.864 15.440 0.458 1.00 0.00 H new ATOM 0 HG21 THR A 428 6.462 14.752 -1.691 1.00 0.00 H new ATOM 0 HG22 THR A 428 5.133 15.531 -2.583 1.00 0.00 H new ATOM 0 HG23 THR A 428 6.621 16.440 -2.230 1.00 0.00 H new ATOM 896 N GLY A 429 5.049 19.850 -0.614 1.00 0.00 N ATOM 897 CA GLY A 429 5.890 21.024 -0.761 1.00 0.00 C ATOM 898 C GLY A 429 6.830 21.211 0.411 1.00 0.00 C ATOM 899 O GLY A 429 6.763 22.218 1.117 1.00 0.00 O ATOM 0 H GLY A 429 4.094 20.042 -0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 429 6.471 20.939 -1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 429 5.261 21.908 -0.863 1.00 0.00 H new ATOM 903 N GLY A 430 7.712 20.240 0.622 1.00 0.00 N ATOM 904 CA GLY A 430 8.658 20.321 1.718 1.00 0.00 C ATOM 905 C GLY A 430 8.032 19.959 3.051 1.00 0.00 C ATOM 906 O GLY A 430 8.302 20.601 4.066 1.00 0.00 O ATOM 0 H GLY A 430 7.788 19.397 0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 430 9.497 19.653 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 430 9.061 21.332 1.772 1.00 0.00 H new ATOM 910 N GLN A 431 7.193 18.929 3.047 1.00 0.00 N ATOM 911 CA GLN A 431 6.524 18.483 4.265 1.00 0.00 C ATOM 912 C GLN A 431 7.171 17.213 4.807 1.00 0.00 C ATOM 913 O GLN A 431 7.100 16.152 4.186 1.00 0.00 O ATOM 914 CB GLN A 431 5.039 18.236 3.993 1.00 0.00 C ATOM 915 CG GLN A 431 4.247 17.870 5.238 1.00 0.00 C ATOM 916 CD GLN A 431 4.161 19.011 6.232 1.00 0.00 C ATOM 917 OE1 GLN A 431 3.277 19.864 6.139 1.00 0.00 O ATOM 918 NE2 GLN A 431 5.080 19.034 7.190 1.00 0.00 N ATOM 0 H GLN A 431 6.960 18.387 2.215 1.00 0.00 H new ATOM 0 HA GLN A 431 6.624 19.268 5.014 1.00 0.00 H new ATOM 0 HB2 GLN A 431 4.606 19.131 3.547 1.00 0.00 H new ATOM 0 HB3 GLN A 431 4.940 17.435 3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 431 3.240 17.569 4.948 1.00 0.00 H new ATOM 0 HG3 GLN A 431 4.711 17.009 5.719 1.00 0.00 H new ATOM 0 HE21 GLN A 431 5.794 18.307 7.229 1.00 0.00 H new ATOM 0 HE22 GLN A 431 5.072 19.779 7.887 1.00 0.00 H new ATOM 927 N ASP A 432 7.803 17.328 5.972 1.00 0.00 N ATOM 928 CA ASP A 432 8.461 16.188 6.601 1.00 0.00 C ATOM 929 C ASP A 432 7.477 15.044 6.820 1.00 0.00 C ATOM 930 O ASP A 432 7.848 13.871 6.761 1.00 0.00 O ATOM 931 CB ASP A 432 9.082 16.604 7.935 1.00 0.00 C ATOM 932 CG ASP A 432 8.049 17.111 8.922 1.00 0.00 C ATOM 933 OD1 ASP A 432 7.483 18.199 8.683 1.00 0.00 O ATOM 934 OD2 ASP A 432 7.804 16.420 9.933 1.00 0.00 O ATOM 0 H ASP A 432 7.873 18.199 6.499 1.00 0.00 H new ATOM 0 HA ASP A 432 9.250 15.842 5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 432 9.608 15.753 8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 432 9.825 17.382 7.760 1.00 0.00 H new ATOM 939 N SER A 433 6.218 15.394 7.073 1.00 0.00 N ATOM 940 CA SER A 433 5.180 14.397 7.300 1.00 0.00 C ATOM 941 C SER A 433 5.043 13.473 6.095 1.00 0.00 C ATOM 942 O SER A 433 5.192 12.256 6.212 1.00 0.00 O ATOM 943 CB SER A 433 3.842 15.079 7.591 1.00 0.00 C ATOM 944 OG SER A 433 3.218 15.515 6.395 1.00 0.00 O ATOM 0 H SER A 433 5.894 16.360 7.126 1.00 0.00 H new ATOM 0 HA SER A 433 5.468 13.798 8.164 1.00 0.00 H new ATOM 0 HB2 SER A 433 3.184 14.386 8.116 1.00 0.00 H new ATOM 0 HB3 SER A 433 4.001 15.931 8.253 1.00 0.00 H new ATOM 0 HG SER A 433 2.565 16.216 6.603 1.00 0.00 H new ATOM 950 N VAL A 434 4.765 14.058 4.933 1.00 0.00 N ATOM 951 CA VAL A 434 4.615 13.285 3.708 1.00 0.00 C ATOM 952 C VAL A 434 5.946 12.672 3.286 1.00 0.00 C ATOM 953 O VAL A 434 5.977 11.630 2.636 1.00 0.00 O ATOM 954 CB VAL A 434 4.058 14.150 2.557 1.00 0.00 C ATOM 955 CG1 VAL A 434 4.018 13.363 1.255 1.00 0.00 C ATOM 956 CG2 VAL A 434 2.674 14.669 2.911 1.00 0.00 C ATOM 0 H VAL A 434 4.640 15.063 4.816 1.00 0.00 H new ATOM 0 HA VAL A 434 3.903 12.487 3.918 1.00 0.00 H new ATOM 0 HB VAL A 434 4.724 15.001 2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 434 3.622 13.995 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 434 5.026 13.040 0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 434 3.378 12.489 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 434 2.293 15.277 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 434 2.002 13.828 3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 434 2.733 15.275 3.815 1.00 0.00 H new ATOM 966 N ARG A 435 7.045 13.318 3.663 1.00 0.00 N ATOM 967 CA ARG A 435 8.370 12.818 3.323 1.00 0.00 C ATOM 968 C ARG A 435 8.591 11.440 3.937 1.00 0.00 C ATOM 969 O ARG A 435 8.759 10.447 3.225 1.00 0.00 O ATOM 970 CB ARG A 435 9.447 13.791 3.809 1.00 0.00 C ATOM 971 CG ARG A 435 10.044 14.640 2.697 1.00 0.00 C ATOM 972 CD ARG A 435 11.326 14.027 2.157 1.00 0.00 C ATOM 973 NE ARG A 435 12.072 14.965 1.321 1.00 0.00 N ATOM 974 CZ ARG A 435 11.726 15.282 0.075 1.00 0.00 C ATOM 975 NH1 ARG A 435 10.649 14.742 -0.481 1.00 0.00 N ATOM 976 NH2 ARG A 435 12.460 16.144 -0.616 1.00 0.00 N ATOM 0 H ARG A 435 7.044 14.184 4.201 1.00 0.00 H new ATOM 0 HA ARG A 435 8.440 12.732 2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 435 9.018 14.447 4.566 1.00 0.00 H new ATOM 0 HB3 ARG A 435 10.244 13.226 4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 435 9.320 14.744 1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 435 10.249 15.643 3.073 1.00 0.00 H new ATOM 0 HD2 ARG A 435 11.953 13.706 2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 435 11.085 13.136 1.577 1.00 0.00 H new ATOM 0 HE ARG A 435 12.905 15.402 1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 435 10.080 14.080 0.047 1.00 0.00 H new ATOM 0 HH12 ARG A 435 10.390 14.989 -1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 435 13.288 16.563 -0.193 1.00 0.00 H new ATOM 0 HH22 ARG A 435 12.196 16.388 -1.571 1.00 0.00 H new ATOM 990 N GLN A 436 8.577 11.384 5.265 1.00 0.00 N ATOM 991 CA GLN A 436 8.765 10.127 5.979 1.00 0.00 C ATOM 992 C GLN A 436 7.625 9.165 5.667 1.00 0.00 C ATOM 993 O GLN A 436 7.836 7.962 5.514 1.00 0.00 O ATOM 994 CB GLN A 436 8.842 10.376 7.487 1.00 0.00 C ATOM 995 CG GLN A 436 9.808 9.452 8.208 1.00 0.00 C ATOM 996 CD GLN A 436 9.233 8.066 8.427 1.00 0.00 C ATOM 997 OE1 GLN A 436 9.161 7.256 7.503 1.00 0.00 O ATOM 998 NE2 GLN A 436 8.817 7.786 9.658 1.00 0.00 N ATOM 0 H GLN A 436 8.437 12.195 5.868 1.00 0.00 H new ATOM 0 HA GLN A 436 9.703 9.680 5.649 1.00 0.00 H new ATOM 0 HB2 GLN A 436 9.142 11.409 7.661 1.00 0.00 H new ATOM 0 HB3 GLN A 436 7.848 10.256 7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 436 10.729 9.372 7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 436 10.072 9.888 9.171 1.00 0.00 H new ATOM 0 HE21 GLN A 436 8.895 8.487 10.395 1.00 0.00 H new ATOM 0 HE22 GLN A 436 8.420 6.870 9.866 1.00 0.00 H new ATOM 1007 N ALA A 437 6.414 9.707 5.569 1.00 0.00 N ATOM 1008 CA ALA A 437 5.237 8.903 5.269 1.00 0.00 C ATOM 1009 C ALA A 437 5.321 8.322 3.862 1.00 0.00 C ATOM 1010 O ALA A 437 4.846 7.215 3.607 1.00 0.00 O ATOM 1011 CB ALA A 437 3.976 9.742 5.426 1.00 0.00 C ATOM 0 H ALA A 437 6.224 10.701 5.694 1.00 0.00 H new ATOM 0 HA ALA A 437 5.197 8.073 5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 437 3.102 9.131 5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 437 3.907 10.108 6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 437 4.015 10.589 4.741 1.00 0.00 H new ATOM 1017 N ARG A 438 5.934 9.075 2.954 1.00 0.00 N ATOM 1018 CA ARG A 438 6.089 8.636 1.573 1.00 0.00 C ATOM 1019 C ARG A 438 7.092 7.492 1.482 1.00 0.00 C ATOM 1020 O ARG A 438 6.771 6.409 0.991 1.00 0.00 O ATOM 1021 CB ARG A 438 6.538 9.801 0.687 1.00 0.00 C ATOM 1022 CG ARG A 438 6.780 9.410 -0.763 1.00 0.00 C ATOM 1023 CD ARG A 438 6.841 10.631 -1.667 1.00 0.00 C ATOM 1024 NE ARG A 438 8.004 10.600 -2.551 1.00 0.00 N ATOM 1025 CZ ARG A 438 8.169 11.416 -3.589 1.00 0.00 C ATOM 1026 NH1 ARG A 438 7.248 12.327 -3.878 1.00 0.00 N ATOM 1027 NH2 ARG A 438 9.256 11.320 -4.341 1.00 0.00 N ATOM 0 H ARG A 438 6.332 9.993 3.151 1.00 0.00 H new ATOM 0 HA ARG A 438 5.122 8.279 1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 438 5.781 10.584 0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 438 7.454 10.225 1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 438 7.713 8.852 -0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 438 5.984 8.746 -1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 438 5.932 10.685 -2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 438 6.874 11.533 -1.056 1.00 0.00 H new ATOM 0 HE ARG A 438 8.733 9.912 -2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 438 6.409 12.404 -3.303 1.00 0.00 H new ATOM 0 HH12 ARG A 438 7.379 12.950 -4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 438 9.966 10.621 -4.124 1.00 0.00 H new ATOM 0 HH22 ARG A 438 9.383 11.945 -5.137 1.00 0.00 H new ATOM 1041 N LYS A 439 8.308 7.735 1.963 1.00 0.00 N ATOM 1042 CA LYS A 439 9.352 6.715 1.939 1.00 0.00 C ATOM 1043 C LYS A 439 8.868 5.446 2.633 1.00 0.00 C ATOM 1044 O LYS A 439 9.001 4.341 2.102 1.00 0.00 O ATOM 1045 CB LYS A 439 10.623 7.232 2.614 1.00 0.00 C ATOM 1046 CG LYS A 439 10.405 7.709 4.041 1.00 0.00 C ATOM 1047 CD LYS A 439 11.624 8.448 4.572 1.00 0.00 C ATOM 1048 CE LYS A 439 12.016 7.956 5.957 1.00 0.00 C ATOM 1049 NZ LYS A 439 12.827 8.963 6.696 1.00 0.00 N ATOM 0 H LYS A 439 8.594 8.625 2.372 1.00 0.00 H new ATOM 0 HA LYS A 439 9.581 6.482 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 439 11.371 6.440 2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 439 11.029 8.053 2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 439 9.535 8.365 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 439 10.188 6.855 4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 439 12.460 8.312 3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 439 11.414 9.517 4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 439 11.117 7.725 6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 439 12.583 7.030 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 12.669 8.854 7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 13.835 8.820 6.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 12.544 9.920 6.402 1.00 0.00 H new ATOM 1063 N GLU A 440 8.291 5.616 3.819 1.00 0.00 N ATOM 1064 CA GLU A 440 7.768 4.491 4.582 1.00 0.00 C ATOM 1065 C GLU A 440 6.687 3.770 3.785 1.00 0.00 C ATOM 1066 O GLU A 440 6.666 2.540 3.712 1.00 0.00 O ATOM 1067 CB GLU A 440 7.204 4.976 5.921 1.00 0.00 C ATOM 1068 CG GLU A 440 6.531 3.882 6.736 1.00 0.00 C ATOM 1069 CD GLU A 440 6.504 4.193 8.219 1.00 0.00 C ATOM 1070 OE1 GLU A 440 5.592 4.927 8.655 1.00 0.00 O ATOM 1071 OE2 GLU A 440 7.395 3.703 8.945 1.00 0.00 O ATOM 0 H GLU A 440 8.175 6.523 4.271 1.00 0.00 H new ATOM 0 HA GLU A 440 8.582 3.793 4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 440 8.013 5.409 6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 440 6.484 5.772 5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 440 5.510 3.744 6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 440 7.055 2.940 6.576 1.00 0.00 H new ATOM 1078 N ALA A 441 5.796 4.548 3.177 1.00 0.00 N ATOM 1079 CA ALA A 441 4.719 3.989 2.372 1.00 0.00 C ATOM 1080 C ALA A 441 5.280 3.178 1.210 1.00 0.00 C ATOM 1081 O ALA A 441 4.805 2.081 0.922 1.00 0.00 O ATOM 1082 CB ALA A 441 3.814 5.100 1.857 1.00 0.00 C ATOM 0 H ALA A 441 5.800 5.567 3.228 1.00 0.00 H new ATOM 0 HA ALA A 441 4.130 3.322 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 441 3.013 4.668 1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 441 3.384 5.640 2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 441 4.396 5.789 1.244 1.00 0.00 H new ATOM 1088 N VAL A 442 6.301 3.723 0.554 1.00 0.00 N ATOM 1089 CA VAL A 442 6.935 3.046 -0.570 1.00 0.00 C ATOM 1090 C VAL A 442 7.482 1.690 -0.145 1.00 0.00 C ATOM 1091 O VAL A 442 7.237 0.675 -0.798 1.00 0.00 O ATOM 1092 CB VAL A 442 8.083 3.889 -1.161 1.00 0.00 C ATOM 1093 CG1 VAL A 442 8.604 3.255 -2.442 1.00 0.00 C ATOM 1094 CG2 VAL A 442 7.625 5.319 -1.409 1.00 0.00 C ATOM 0 H VAL A 442 6.706 4.631 0.782 1.00 0.00 H new ATOM 0 HA VAL A 442 6.170 2.908 -1.334 1.00 0.00 H new ATOM 0 HB VAL A 442 8.899 3.917 -0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 442 9.414 3.863 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 442 8.975 2.253 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 442 7.797 3.194 -3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 442 8.449 5.898 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 442 6.791 5.317 -2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 442 7.306 5.767 -0.468 1.00 0.00 H new ATOM 1104 N CYS A 443 8.216 1.676 0.964 1.00 0.00 N ATOM 1105 CA CYS A 443 8.784 0.439 1.482 1.00 0.00 C ATOM 1106 C CYS A 443 7.677 -0.559 1.800 1.00 0.00 C ATOM 1107 O CYS A 443 7.812 -1.757 1.547 1.00 0.00 O ATOM 1108 CB CYS A 443 9.616 0.715 2.735 1.00 0.00 C ATOM 1109 SG CYS A 443 11.069 -0.347 2.906 1.00 0.00 S ATOM 0 H CYS A 443 8.430 2.505 1.518 1.00 0.00 H new ATOM 0 HA CYS A 443 9.434 0.013 0.718 1.00 0.00 H new ATOM 0 HB2 CYS A 443 9.940 1.756 2.721 1.00 0.00 H new ATOM 0 HB3 CYS A 443 8.983 0.590 3.613 1.00 0.00 H new ATOM 0 HG CYS A 443 11.708 -0.036 3.994 1.00 0.00 H new ATOM 1115 N LYS A 444 6.578 -0.050 2.352 1.00 0.00 N ATOM 1116 CA LYS A 444 5.436 -0.883 2.704 1.00 0.00 C ATOM 1117 C LYS A 444 4.817 -1.515 1.461 1.00 0.00 C ATOM 1118 O LYS A 444 4.737 -2.737 1.352 1.00 0.00 O ATOM 1119 CB LYS A 444 4.386 -0.056 3.451 1.00 0.00 C ATOM 1120 CG LYS A 444 4.208 -0.467 4.902 1.00 0.00 C ATOM 1121 CD LYS A 444 5.310 0.101 5.782 1.00 0.00 C ATOM 1122 CE LYS A 444 6.383 -0.937 6.072 1.00 0.00 C ATOM 1123 NZ LYS A 444 7.615 -0.319 6.635 1.00 0.00 N ATOM 0 H LYS A 444 6.456 0.940 2.565 1.00 0.00 H new ATOM 0 HA LYS A 444 5.788 -1.683 3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 444 4.669 0.996 3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 444 3.430 -0.148 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 444 3.239 -0.122 5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 444 4.207 -1.555 4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 444 5.760 0.964 5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 444 4.882 0.455 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 444 5.994 -1.675 6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 444 6.631 -1.469 5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 8.322 -1.059 6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 8.001 0.367 5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 7.384 0.168 7.525 1.00 0.00 H new ATOM 1137 N ILE A 445 4.379 -0.678 0.519 1.00 0.00 N ATOM 1138 CA ILE A 445 3.771 -1.172 -0.715 1.00 0.00 C ATOM 1139 C ILE A 445 4.659 -2.224 -1.372 1.00 0.00 C ATOM 1140 O ILE A 445 4.182 -3.276 -1.799 1.00 0.00 O ATOM 1141 CB ILE A 445 3.495 -0.035 -1.718 1.00 0.00 C ATOM 1142 CG1 ILE A 445 4.768 0.770 -1.989 1.00 0.00 C ATOM 1143 CG2 ILE A 445 2.391 0.872 -1.196 1.00 0.00 C ATOM 1144 CD1 ILE A 445 4.565 1.914 -2.958 1.00 0.00 C ATOM 0 H ILE A 445 4.434 0.338 0.587 1.00 0.00 H new ATOM 0 HA ILE A 445 2.817 -1.622 -0.439 1.00 0.00 H new ATOM 0 HB ILE A 445 3.167 -0.478 -2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 445 5.145 1.166 -1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 445 5.534 0.102 -2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 445 2.206 1.671 -1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 445 1.479 0.292 -1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 445 2.696 1.304 -0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 445 5.509 2.440 -3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 445 4.217 1.523 -3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 445 3.823 2.604 -2.556 1.00 0.00 H new ATOM 1156 N GLN A 446 5.957 -1.942 -1.431 1.00 0.00 N ATOM 1157 CA GLN A 446 6.908 -2.878 -2.014 1.00 0.00 C ATOM 1158 C GLN A 446 7.081 -4.077 -1.090 1.00 0.00 C ATOM 1159 O GLN A 446 7.287 -5.204 -1.543 1.00 0.00 O ATOM 1160 CB GLN A 446 8.256 -2.195 -2.249 1.00 0.00 C ATOM 1161 CG GLN A 446 8.291 -1.331 -3.499 1.00 0.00 C ATOM 1162 CD GLN A 446 9.703 -1.016 -3.951 1.00 0.00 C ATOM 1163 OE1 GLN A 446 10.074 0.258 -3.890 1.00 0.00 O flip ATOM 1164 NE2 GLN A 446 10.453 -1.907 -4.351 1.00 0.00 N flip ATOM 0 H GLN A 446 6.371 -1.077 -1.084 1.00 0.00 H new ATOM 0 HA GLN A 446 6.523 -3.219 -2.975 1.00 0.00 H new ATOM 0 HB2 GLN A 446 8.497 -1.577 -1.384 1.00 0.00 H new ATOM 0 HB3 GLN A 446 9.032 -2.957 -2.322 1.00 0.00 H new ATOM 0 HG2 GLN A 446 7.761 -1.841 -4.304 1.00 0.00 H new ATOM 0 HG3 GLN A 446 7.759 -0.399 -3.307 1.00 0.00 H new ATOM 0 HE21 GLN A 446 10.127 -2.873 -4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 446 11.401 -1.679 -4.652 1.00 0.00 H new ATOM 1173 N ALA A 447 6.983 -3.820 0.211 1.00 0.00 N ATOM 1174 CA ALA A 447 7.114 -4.864 1.215 1.00 0.00 C ATOM 1175 C ALA A 447 5.953 -5.849 1.121 1.00 0.00 C ATOM 1176 O ALA A 447 6.154 -7.065 1.100 1.00 0.00 O ATOM 1177 CB ALA A 447 7.174 -4.245 2.605 1.00 0.00 C ATOM 0 H ALA A 447 6.812 -2.890 0.594 1.00 0.00 H new ATOM 0 HA ALA A 447 8.040 -5.410 1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 447 7.272 -5.034 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 447 8.033 -3.577 2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 447 6.260 -3.681 2.792 1.00 0.00 H new ATOM 1183 N ILE A 448 4.739 -5.312 1.054 1.00 0.00 N ATOM 1184 CA ILE A 448 3.541 -6.137 0.956 1.00 0.00 C ATOM 1185 C ILE A 448 3.517 -6.901 -0.365 1.00 0.00 C ATOM 1186 O ILE A 448 3.216 -8.095 -0.398 1.00 0.00 O ATOM 1187 CB ILE A 448 2.260 -5.283 1.077 1.00 0.00 C ATOM 1188 CG1 ILE A 448 1.012 -6.167 0.983 1.00 0.00 C ATOM 1189 CG2 ILE A 448 2.233 -4.203 0.005 1.00 0.00 C ATOM 1190 CD1 ILE A 448 -0.284 -5.391 1.064 1.00 0.00 C ATOM 0 H ILE A 448 4.559 -4.308 1.066 1.00 0.00 H new ATOM 0 HA ILE A 448 3.568 -6.847 1.783 1.00 0.00 H new ATOM 0 HB ILE A 448 2.263 -4.797 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 448 1.038 -6.719 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 448 1.036 -6.903 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 448 1.323 -3.612 0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 448 3.102 -3.555 0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 448 2.255 -4.668 -0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -1.126 -6.080 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -0.331 -4.860 2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -0.330 -4.673 0.245 1.00 0.00 H new ATOM 1202 N LEU A 449 3.842 -6.207 -1.454 1.00 0.00 N ATOM 1203 CA LEU A 449 3.859 -6.827 -2.773 1.00 0.00 C ATOM 1204 C LEU A 449 4.816 -8.016 -2.793 1.00 0.00 C ATOM 1205 O LEU A 449 4.448 -9.118 -3.201 1.00 0.00 O ATOM 1206 CB LEU A 449 4.264 -5.806 -3.838 1.00 0.00 C ATOM 1207 CG LEU A 449 3.358 -5.764 -5.070 1.00 0.00 C ATOM 1208 CD1 LEU A 449 2.176 -4.839 -4.829 1.00 0.00 C ATOM 1209 CD2 LEU A 449 4.146 -5.322 -6.294 1.00 0.00 C ATOM 0 H LEU A 449 4.096 -5.219 -1.447 1.00 0.00 H new ATOM 0 HA LEU A 449 2.854 -7.185 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 449 4.280 -4.816 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 449 5.282 -6.025 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 449 2.975 -6.768 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 449 1.542 -4.821 -5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 449 1.599 -5.200 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 449 2.538 -3.832 -4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 449 3.487 -5.297 -7.162 1.00 0.00 H new ATOM 0 HD22 LEU A 449 4.557 -4.327 -6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 449 4.959 -6.024 -6.476 1.00 0.00 H new ATOM 1221 N GLU A 450 6.047 -7.783 -2.346 1.00 0.00 N ATOM 1222 CA GLU A 450 7.056 -8.834 -2.305 1.00 0.00 C ATOM 1223 C GLU A 450 6.590 -9.992 -1.428 1.00 0.00 C ATOM 1224 O GLU A 450 6.728 -11.158 -1.795 1.00 0.00 O ATOM 1225 CB GLU A 450 8.382 -8.281 -1.778 1.00 0.00 C ATOM 1226 CG GLU A 450 9.605 -8.907 -2.428 1.00 0.00 C ATOM 1227 CD GLU A 450 10.702 -9.218 -1.429 1.00 0.00 C ATOM 1228 OE1 GLU A 450 11.362 -8.268 -0.959 1.00 0.00 O ATOM 1229 OE2 GLU A 450 10.897 -10.411 -1.116 1.00 0.00 O ATOM 0 H GLU A 450 6.368 -6.876 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 450 7.205 -9.202 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 450 8.406 -7.203 -1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 450 8.431 -8.442 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 450 9.311 -9.825 -2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 450 9.993 -8.231 -3.189 1.00 0.00 H new ATOM 1236 N LYS A 451 6.028 -9.658 -0.270 1.00 0.00 N ATOM 1237 CA LYS A 451 5.533 -10.666 0.659 1.00 0.00 C ATOM 1238 C LYS A 451 4.510 -11.569 -0.023 1.00 0.00 C ATOM 1239 O LYS A 451 4.524 -12.786 0.158 1.00 0.00 O ATOM 1240 CB LYS A 451 4.908 -9.998 1.885 1.00 0.00 C ATOM 1241 CG LYS A 451 5.251 -10.688 3.196 1.00 0.00 C ATOM 1242 CD LYS A 451 4.560 -10.022 4.376 1.00 0.00 C ATOM 1243 CE LYS A 451 5.480 -9.933 5.582 1.00 0.00 C ATOM 1244 NZ LYS A 451 6.104 -8.586 5.707 1.00 0.00 N ATOM 0 H LYS A 451 5.904 -8.696 0.047 1.00 0.00 H new ATOM 0 HA LYS A 451 6.376 -11.277 0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 451 5.240 -8.961 1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 451 3.825 -9.980 1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 451 4.956 -11.736 3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 451 6.330 -10.668 3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 451 4.234 -9.022 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 451 3.665 -10.585 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 451 4.915 -10.157 6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 451 6.261 -10.689 5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 451 6.724 -8.567 6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 451 6.664 -8.383 4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 451 5.360 -7.867 5.812 1.00 0.00 H new ATOM 1258 N LEU A 452 3.627 -10.962 -0.811 1.00 0.00 N ATOM 1259 CA LEU A 452 2.602 -11.712 -1.526 1.00 0.00 C ATOM 1260 C LEU A 452 3.235 -12.632 -2.565 1.00 0.00 C ATOM 1261 O LEU A 452 2.900 -13.813 -2.651 1.00 0.00 O ATOM 1262 CB LEU A 452 1.615 -10.757 -2.203 1.00 0.00 C ATOM 1263 CG LEU A 452 0.216 -10.724 -1.583 1.00 0.00 C ATOM 1264 CD1 LEU A 452 -0.718 -9.866 -2.422 1.00 0.00 C ATOM 1265 CD2 LEU A 452 -0.339 -12.136 -1.439 1.00 0.00 C ATOM 0 H LEU A 452 3.601 -9.955 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 452 2.061 -12.323 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 452 2.031 -9.750 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 452 1.524 -11.037 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 452 0.290 -10.282 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 452 -1.708 -9.854 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 452 -0.330 -8.849 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 452 -0.787 -10.280 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 452 -1.334 -12.092 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 452 -0.399 -12.605 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 452 0.318 -12.722 -0.796 1.00 0.00 H new ATOM 1277 N GLU A 453 4.157 -12.080 -3.350 1.00 0.00 N ATOM 1278 CA GLU A 453 4.842 -12.851 -4.381 1.00 0.00 C ATOM 1279 C GLU A 453 5.527 -14.072 -3.777 1.00 0.00 C ATOM 1280 O GLU A 453 5.545 -15.147 -4.377 1.00 0.00 O ATOM 1281 CB GLU A 453 5.870 -11.977 -5.102 1.00 0.00 C ATOM 1282 CG GLU A 453 6.227 -12.480 -6.492 1.00 0.00 C ATOM 1283 CD GLU A 453 5.023 -12.565 -7.408 1.00 0.00 C ATOM 1284 OE1 GLU A 453 4.329 -11.538 -7.575 1.00 0.00 O ATOM 1285 OE2 GLU A 453 4.771 -13.658 -7.958 1.00 0.00 O ATOM 0 H GLU A 453 4.446 -11.103 -3.291 1.00 0.00 H new ATOM 0 HA GLU A 453 4.099 -13.192 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 453 5.481 -10.962 -5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 453 6.777 -11.925 -4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 453 6.970 -11.816 -6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 453 6.687 -13.465 -6.411 1.00 0.00 H new ATOM 1292 N LYS A 454 6.087 -13.899 -2.584 1.00 0.00 N ATOM 1293 CA LYS A 454 6.769 -14.987 -1.895 1.00 0.00 C ATOM 1294 C LYS A 454 5.763 -15.936 -1.250 1.00 0.00 C ATOM 1295 O LYS A 454 6.019 -17.133 -1.120 1.00 0.00 O ATOM 1296 CB LYS A 454 7.718 -14.430 -0.831 1.00 0.00 C ATOM 1297 CG LYS A 454 9.079 -14.032 -1.379 1.00 0.00 C ATOM 1298 CD LYS A 454 10.191 -14.349 -0.392 1.00 0.00 C ATOM 1299 CE LYS A 454 10.608 -13.113 0.391 1.00 0.00 C ATOM 1300 NZ LYS A 454 11.112 -13.460 1.749 1.00 0.00 N ATOM 0 H LYS A 454 6.082 -13.015 -2.075 1.00 0.00 H new ATOM 0 HA LYS A 454 7.348 -15.545 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 454 7.256 -13.561 -0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 454 7.854 -15.178 -0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 454 9.263 -14.557 -2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 454 9.084 -12.966 -1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 454 9.857 -15.123 0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 454 11.052 -14.750 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 454 11.383 -12.579 -0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 454 9.758 -12.436 0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 11.386 -12.591 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 10.364 -13.947 2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 11.939 -14.085 1.663 1.00 0.00 H new ATOM 1314 N LYS A 455 4.617 -15.391 -0.848 1.00 0.00 N ATOM 1315 CA LYS A 455 3.571 -16.189 -0.218 1.00 0.00 C ATOM 1316 C LYS A 455 2.432 -16.470 -1.194 1.00 0.00 C ATOM 1317 O LYS A 455 1.295 -16.703 -0.785 1.00 0.00 O ATOM 1318 CB LYS A 455 3.028 -15.470 1.018 1.00 0.00 C ATOM 1319 CG LYS A 455 2.551 -16.412 2.111 1.00 0.00 C ATOM 1320 CD LYS A 455 1.785 -15.669 3.194 1.00 0.00 C ATOM 1321 CE LYS A 455 2.657 -15.404 4.411 1.00 0.00 C ATOM 1322 NZ LYS A 455 1.859 -15.361 5.667 1.00 0.00 N ATOM 0 H LYS A 455 4.391 -14.401 -0.948 1.00 0.00 H new ATOM 0 HA LYS A 455 4.010 -17.140 0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 455 3.806 -14.823 1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 455 2.201 -14.826 0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 455 1.913 -17.182 1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 455 3.408 -16.920 2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 455 1.416 -14.723 2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 455 0.913 -16.252 3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 455 3.416 -16.182 4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 455 3.182 -14.458 4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 2.490 -15.178 6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 1.151 -14.602 5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 1.378 -16.273 5.804 1.00 0.00 H new ATOM 1336 N GLY A 456 2.744 -16.446 -2.487 1.00 0.00 N ATOM 1337 CA GLY A 456 1.733 -16.700 -3.497 1.00 0.00 C ATOM 1338 C GLY A 456 2.157 -17.769 -4.486 1.00 0.00 C ATOM 1339 O GLY A 456 1.643 -17.763 -5.625 1.00 0.00 O ATOM 1340 OXT GLY A 456 3.002 -18.613 -4.121 1.00 0.00 O ATOM 0 H GLY A 456 3.677 -16.256 -2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 456 0.807 -17.006 -3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 456 1.520 -15.776 -4.034 1.00 0.00 H new