USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 351 HIS HD1 : A 351 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 388 HIS HD1 : A 388 HIS ND1 : A 402 ZNZN :(H bumps) USER MOD Single : A 316 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 317 ASN : amide:sc= -0.323 K(o=-0.32,f=-3.3!) USER MOD Single : A 324 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 328 TYR OH : rot 115:sc= -0.196 USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 GLN : amide:sc= -0.46 X(o=-0.46,f=0) USER MOD Single : A 333 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 340 GLN : amide:sc= -0.243 K(o=-0.24,f=-1.7) USER MOD Single : A 342 HIS :FLIP no HD1:sc= -2.25! C(o=-2.8!,f=-2.2!) USER MOD Single : A 343 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0416) USER MOD Single : A 345 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 347 TYR OH : rot 180:sc= 0 USER MOD Single : A 353 THR OG1 : rot 180:sc= 0 USER MOD Single : A 356 GLN :FLIP amide:sc= -0.157 F(o=-1.1,f=-0.16) USER MOD Single : A 357 LYS NZ :NH3+ -130:sc= -0.166 (180deg=-0.685) USER MOD Single : A 361 TYR OH : rot 30:sc= -0.327 USER MOD Single : A 362 MET CE :methyl 166:sc= 0 (180deg=-0.152) USER MOD Single : A 363 LYS NZ :NH3+ -127:sc= 0.63 (180deg=-0.367) USER MOD Single : A 364 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0.00982 USER MOD Single : A 375 THR OG1 : rot 180:sc= 0 USER MOD Single : A 376 THR OG1 : rot -134:sc= -2.69! USER MOD Single : A 378 SER OG : rot 133:sc= 1.23 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 382 THR OG1 : rot 180:sc= 0 USER MOD Single : A 384 TYR OH : rot 180:sc= 0 USER MOD Single : A 389 THR OG1 : rot 180:sc= 0.061 USER MOD Single : A 393 SER OG : rot 180:sc= 0 USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 316 -13.793 27.348 -14.757 1.00 0.00 N ATOM 2 CA MET A 316 -13.734 25.871 -14.717 1.00 0.00 C ATOM 3 C MET A 316 -12.278 25.422 -14.721 1.00 0.00 C ATOM 4 O MET A 316 -11.381 26.235 -14.930 1.00 0.00 O ATOM 5 CB MET A 316 -14.465 25.286 -15.930 1.00 0.00 C ATOM 6 CG MET A 316 -15.486 24.211 -15.586 1.00 0.00 C ATOM 7 SD MET A 316 -14.755 22.749 -14.828 1.00 0.00 S ATOM 8 CE MET A 316 -16.193 21.689 -14.689 1.00 0.00 C ATOM 0 HA MET A 316 -14.219 25.514 -13.808 1.00 0.00 H new ATOM 0 HB2 MET A 316 -14.970 26.094 -16.460 1.00 0.00 H new ATOM 0 HB3 MET A 316 -13.729 24.866 -16.615 1.00 0.00 H new ATOM 0 HG2 MET A 316 -16.230 24.630 -14.908 1.00 0.00 H new ATOM 0 HG3 MET A 316 -16.013 23.916 -16.494 1.00 0.00 H new ATOM 0 HE1 MET A 316 -15.904 20.741 -14.236 1.00 0.00 H new ATOM 0 HE2 MET A 316 -16.944 22.175 -14.066 1.00 0.00 H new ATOM 0 HE3 MET A 316 -16.607 21.506 -15.680 1.00 0.00 H new ATOM 18 N ASN A 317 -12.044 24.141 -14.488 1.00 0.00 N ATOM 19 CA ASN A 317 -10.692 23.602 -14.494 1.00 0.00 C ATOM 20 C ASN A 317 -10.673 22.194 -15.081 1.00 0.00 C ATOM 21 O ASN A 317 -11.345 21.290 -14.584 1.00 0.00 O ATOM 22 CB ASN A 317 -10.078 23.601 -13.082 1.00 0.00 C ATOM 23 CG ASN A 317 -10.871 22.795 -12.059 1.00 0.00 C ATOM 24 OD1 ASN A 317 -12.101 22.740 -12.090 1.00 0.00 O ATOM 25 ND2 ASN A 317 -10.163 22.158 -11.137 1.00 0.00 N ATOM 0 H ASN A 317 -12.772 23.454 -14.292 1.00 0.00 H new ATOM 0 HA ASN A 317 -10.084 24.252 -15.124 1.00 0.00 H new ATOM 0 HB2 ASN A 317 -9.066 23.201 -13.138 1.00 0.00 H new ATOM 0 HB3 ASN A 317 -9.995 24.630 -12.733 1.00 0.00 H new ATOM 0 HD21 ASN A 317 -10.636 21.601 -10.425 1.00 0.00 H new ATOM 0 HD22 ASN A 317 -9.145 22.224 -11.140 1.00 0.00 H new ATOM 32 N ILE A 318 -9.926 22.026 -16.161 1.00 0.00 N ATOM 33 CA ILE A 318 -9.774 20.718 -16.789 1.00 0.00 C ATOM 34 C ILE A 318 -8.294 20.301 -16.835 1.00 0.00 C ATOM 35 O ILE A 318 -7.938 19.264 -16.274 1.00 0.00 O ATOM 36 CB ILE A 318 -10.391 20.676 -18.213 1.00 0.00 C ATOM 37 CG1 ILE A 318 -11.889 21.009 -18.172 1.00 0.00 C ATOM 38 CG2 ILE A 318 -10.168 19.313 -18.856 1.00 0.00 C ATOM 39 CD1 ILE A 318 -12.719 20.015 -17.385 1.00 0.00 C ATOM 0 H ILE A 318 -9.414 22.778 -16.623 1.00 0.00 H new ATOM 0 HA ILE A 318 -10.323 20.005 -16.173 1.00 0.00 H new ATOM 0 HB ILE A 318 -9.890 21.431 -18.819 1.00 0.00 H new ATOM 0 HG12 ILE A 318 -12.019 22.000 -17.737 1.00 0.00 H new ATOM 0 HG13 ILE A 318 -12.268 21.056 -19.193 1.00 0.00 H new ATOM 0 HG21 ILE A 318 -10.608 19.305 -19.853 1.00 0.00 H new ATOM 0 HG22 ILE A 318 -9.098 19.116 -18.930 1.00 0.00 H new ATOM 0 HG23 ILE A 318 -10.638 18.542 -18.246 1.00 0.00 H new ATOM 0 HD11 ILE A 318 -13.765 20.320 -17.403 1.00 0.00 H new ATOM 0 HD12 ILE A 318 -12.621 19.025 -17.831 1.00 0.00 H new ATOM 0 HD13 ILE A 318 -12.368 19.984 -16.354 1.00 0.00 H new ATOM 51 N PRO A 319 -7.405 21.086 -17.505 1.00 0.00 N ATOM 52 CA PRO A 319 -5.967 20.799 -17.528 1.00 0.00 C ATOM 53 C PRO A 319 -5.359 20.495 -16.141 1.00 0.00 C ATOM 54 O PRO A 319 -4.676 19.482 -15.989 1.00 0.00 O ATOM 55 CB PRO A 319 -5.319 22.050 -18.145 1.00 0.00 C ATOM 56 CG PRO A 319 -6.430 22.993 -18.492 1.00 0.00 C ATOM 57 CD PRO A 319 -7.732 22.253 -18.346 1.00 0.00 C ATOM 0 HA PRO A 319 -5.782 19.891 -18.101 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -4.626 22.512 -17.442 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -4.744 21.788 -19.033 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -6.410 23.863 -17.835 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -6.313 23.361 -19.511 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -8.493 22.878 -17.878 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -8.124 21.946 -19.315 1.00 0.00 H new ATOM 65 N PRO A 320 -5.576 21.341 -15.104 1.00 0.00 N ATOM 66 CA PRO A 320 -5.013 21.099 -13.788 1.00 0.00 C ATOM 67 C PRO A 320 -5.946 20.277 -12.904 1.00 0.00 C ATOM 68 O PRO A 320 -6.891 20.809 -12.316 1.00 0.00 O ATOM 69 CB PRO A 320 -4.828 22.509 -13.217 1.00 0.00 C ATOM 70 CG PRO A 320 -5.710 23.415 -14.034 1.00 0.00 C ATOM 71 CD PRO A 320 -6.373 22.573 -15.099 1.00 0.00 C ATOM 0 HA PRO A 320 -4.089 20.523 -13.836 1.00 0.00 H new ATOM 0 HB2 PRO A 320 -5.107 22.542 -12.164 1.00 0.00 H new ATOM 0 HB3 PRO A 320 -3.785 22.821 -13.281 1.00 0.00 H new ATOM 0 HG2 PRO A 320 -6.459 23.891 -13.402 1.00 0.00 H new ATOM 0 HG3 PRO A 320 -5.122 24.213 -14.488 1.00 0.00 H new ATOM 0 HD2 PRO A 320 -7.418 22.374 -14.861 1.00 0.00 H new ATOM 0 HD3 PRO A 320 -6.355 23.067 -16.071 1.00 0.00 H new ATOM 79 N ALA A 321 -5.683 18.977 -12.824 1.00 0.00 N ATOM 80 CA ALA A 321 -6.505 18.074 -12.036 1.00 0.00 C ATOM 81 C ALA A 321 -5.723 16.810 -11.726 1.00 0.00 C ATOM 82 O ALA A 321 -6.148 15.702 -12.047 1.00 0.00 O ATOM 83 CB ALA A 321 -7.794 17.738 -12.776 1.00 0.00 C ATOM 0 H ALA A 321 -4.901 18.526 -13.299 1.00 0.00 H new ATOM 0 HA ALA A 321 -6.772 18.565 -11.100 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -8.396 17.061 -12.170 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -8.355 18.653 -12.963 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -7.554 17.259 -13.725 1.00 0.00 H new ATOM 89 N ARG A 322 -4.557 16.986 -11.120 1.00 0.00 N ATOM 90 CA ARG A 322 -3.703 15.859 -10.797 1.00 0.00 C ATOM 91 C ARG A 322 -4.147 15.212 -9.489 1.00 0.00 C ATOM 92 O ARG A 322 -3.881 15.725 -8.402 1.00 0.00 O ATOM 93 CB ARG A 322 -2.226 16.278 -10.731 1.00 0.00 C ATOM 94 CG ARG A 322 -1.953 17.504 -9.871 1.00 0.00 C ATOM 95 CD ARG A 322 -0.465 17.807 -9.795 1.00 0.00 C ATOM 96 NE ARG A 322 -0.188 19.035 -9.052 1.00 0.00 N ATOM 97 CZ ARG A 322 1.017 19.378 -8.588 1.00 0.00 C ATOM 98 NH1 ARG A 322 2.054 18.559 -8.740 1.00 0.00 N ATOM 99 NH2 ARG A 322 1.180 20.534 -7.955 1.00 0.00 N ATOM 0 H ARG A 322 -4.185 17.895 -10.845 1.00 0.00 H new ATOM 0 HA ARG A 322 -3.799 15.123 -11.595 1.00 0.00 H new ATOM 0 HB2 ARG A 322 -1.642 15.442 -10.345 1.00 0.00 H new ATOM 0 HB3 ARG A 322 -1.872 16.474 -11.743 1.00 0.00 H new ATOM 0 HG2 ARG A 322 -2.481 18.364 -10.283 1.00 0.00 H new ATOM 0 HG3 ARG A 322 -2.345 17.341 -8.867 1.00 0.00 H new ATOM 0 HD2 ARG A 322 0.050 16.973 -9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 322 -0.062 17.896 -10.804 1.00 0.00 H new ATOM 0 HE ARG A 322 -0.965 19.672 -8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 322 1.932 17.664 -9.213 1.00 0.00 H new ATOM 0 HH12 ARG A 322 2.972 18.826 -8.384 1.00 0.00 H new ATOM 0 HH21 ARG A 322 0.385 21.160 -7.823 1.00 0.00 H new ATOM 0 HH22 ARG A 322 2.100 20.796 -7.601 1.00 0.00 H new ATOM 113 N TRP A 323 -4.838 14.089 -9.604 1.00 0.00 N ATOM 114 CA TRP A 323 -5.411 13.422 -8.444 1.00 0.00 C ATOM 115 C TRP A 323 -4.419 12.462 -7.799 1.00 0.00 C ATOM 116 O TRP A 323 -4.617 11.246 -7.826 1.00 0.00 O ATOM 117 CB TRP A 323 -6.682 12.670 -8.836 1.00 0.00 C ATOM 118 CG TRP A 323 -7.744 13.559 -9.395 1.00 0.00 C ATOM 119 CD1 TRP A 323 -8.356 14.595 -8.757 1.00 0.00 C ATOM 120 CD2 TRP A 323 -8.326 13.488 -10.701 1.00 0.00 C ATOM 121 NE1 TRP A 323 -9.281 15.180 -9.587 1.00 0.00 N ATOM 122 CE2 TRP A 323 -9.280 14.519 -10.788 1.00 0.00 C ATOM 123 CE3 TRP A 323 -8.127 12.659 -11.808 1.00 0.00 C ATOM 124 CZ2 TRP A 323 -10.037 14.738 -11.936 1.00 0.00 C ATOM 125 CZ3 TRP A 323 -8.880 12.877 -12.947 1.00 0.00 C ATOM 126 CH2 TRP A 323 -9.822 13.910 -13.004 1.00 0.00 C ATOM 0 H TRP A 323 -5.016 13.619 -10.491 1.00 0.00 H new ATOM 0 HA TRP A 323 -5.658 14.192 -7.713 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -6.432 11.906 -9.573 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -7.074 12.152 -7.961 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -8.145 14.911 -7.746 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -9.872 15.976 -9.349 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -7.398 11.863 -11.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -10.767 15.532 -11.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -8.739 12.239 -13.807 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -10.391 14.057 -13.910 1.00 0.00 H new ATOM 137 N LYS A 324 -3.350 13.025 -7.236 1.00 0.00 N ATOM 138 CA LYS A 324 -2.353 12.252 -6.493 1.00 0.00 C ATOM 139 C LYS A 324 -1.861 11.050 -7.314 1.00 0.00 C ATOM 140 O LYS A 324 -1.721 11.142 -8.535 1.00 0.00 O ATOM 141 CB LYS A 324 -2.948 11.797 -5.152 1.00 0.00 C ATOM 142 CG LYS A 324 -3.508 12.936 -4.314 1.00 0.00 C ATOM 143 CD LYS A 324 -3.935 12.439 -2.941 1.00 0.00 C ATOM 144 CE LYS A 324 -4.543 13.551 -2.099 1.00 0.00 C ATOM 145 NZ LYS A 324 -4.842 13.095 -0.713 1.00 0.00 N ATOM 0 H LYS A 324 -3.151 14.024 -7.281 1.00 0.00 H new ATOM 0 HA LYS A 324 -1.489 12.888 -6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 324 -3.741 11.074 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 324 -2.178 11.281 -4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 324 -2.755 13.717 -4.205 1.00 0.00 H new ATOM 0 HG3 LYS A 324 -4.360 13.384 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 324 -4.660 11.633 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 324 -3.073 12.021 -2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 324 -3.856 14.397 -2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 324 -5.460 13.905 -2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 324 -5.255 13.880 -0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 324 -5.517 12.304 -0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 324 -3.963 12.781 -0.254 1.00 0.00 H new ATOM 159 N LEU A 325 -1.564 9.947 -6.639 1.00 0.00 N ATOM 160 CA LEU A 325 -1.154 8.718 -7.304 1.00 0.00 C ATOM 161 C LEU A 325 -2.377 7.853 -7.594 1.00 0.00 C ATOM 162 O LEU A 325 -3.088 7.443 -6.674 1.00 0.00 O ATOM 163 CB LEU A 325 -0.172 7.946 -6.419 1.00 0.00 C ATOM 164 CG LEU A 325 1.042 8.746 -5.950 1.00 0.00 C ATOM 165 CD1 LEU A 325 1.835 7.954 -4.925 1.00 0.00 C ATOM 166 CD2 LEU A 325 1.923 9.124 -7.130 1.00 0.00 C ATOM 0 H LEU A 325 -1.600 9.879 -5.622 1.00 0.00 H new ATOM 0 HA LEU A 325 -0.663 8.971 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -0.707 7.579 -5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 325 0.178 7.072 -6.968 1.00 0.00 H new ATOM 0 HG LEU A 325 0.688 9.664 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 325 2.696 8.538 -4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 325 1.202 7.734 -4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 325 2.177 7.020 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 325 2.782 9.693 -6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 325 2.269 8.219 -7.630 1.00 0.00 H new ATOM 0 HD23 LEU A 325 1.351 9.731 -7.832 1.00 0.00 H new ATOM 178 N THR A 326 -2.625 7.584 -8.867 1.00 0.00 N ATOM 179 CA THR A 326 -3.789 6.803 -9.257 1.00 0.00 C ATOM 180 C THR A 326 -3.463 5.311 -9.315 1.00 0.00 C ATOM 181 O THR A 326 -2.458 4.897 -9.897 1.00 0.00 O ATOM 182 CB THR A 326 -4.337 7.261 -10.621 1.00 0.00 C ATOM 183 OG1 THR A 326 -4.488 8.687 -10.633 1.00 0.00 O ATOM 184 CG2 THR A 326 -5.679 6.607 -10.917 1.00 0.00 C ATOM 0 H THR A 326 -2.040 7.893 -9.643 1.00 0.00 H new ATOM 0 HA THR A 326 -4.552 6.968 -8.496 1.00 0.00 H new ATOM 0 HB THR A 326 -3.626 6.960 -11.390 1.00 0.00 H new ATOM 0 HG1 THR A 326 -4.835 8.972 -11.504 1.00 0.00 H new ATOM 0 HG21 THR A 326 -6.044 6.948 -11.886 1.00 0.00 H new ATOM 0 HG22 THR A 326 -5.560 5.524 -10.934 1.00 0.00 H new ATOM 0 HG23 THR A 326 -6.396 6.881 -10.143 1.00 0.00 H new ATOM 192 N CYS A 327 -4.336 4.515 -8.714 1.00 0.00 N ATOM 193 CA CYS A 327 -4.191 3.066 -8.693 1.00 0.00 C ATOM 194 C CYS A 327 -4.675 2.475 -10.010 1.00 0.00 C ATOM 195 O CYS A 327 -5.839 2.647 -10.386 1.00 0.00 O ATOM 196 CB CYS A 327 -4.998 2.487 -7.522 1.00 0.00 C ATOM 197 SG CYS A 327 -5.186 0.681 -7.528 1.00 0.00 S ATOM 0 H CYS A 327 -5.165 4.855 -8.227 1.00 0.00 H new ATOM 0 HA CYS A 327 -3.140 2.810 -8.563 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -4.517 2.783 -6.589 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -5.990 2.939 -7.527 1.00 0.00 H new ATOM 202 N TYR A 328 -3.790 1.765 -10.704 1.00 0.00 N ATOM 203 CA TYR A 328 -4.123 1.235 -12.018 1.00 0.00 C ATOM 204 C TYR A 328 -5.017 0.014 -11.867 1.00 0.00 C ATOM 205 O TYR A 328 -5.910 -0.225 -12.679 1.00 0.00 O ATOM 206 CB TYR A 328 -2.855 0.918 -12.826 1.00 0.00 C ATOM 207 CG TYR A 328 -2.032 -0.253 -12.325 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.307 -0.188 -11.139 1.00 0.00 C ATOM 209 CD2 TYR A 328 -1.960 -1.420 -13.068 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.535 -1.255 -10.715 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.198 -2.489 -12.646 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.487 -2.404 -11.471 1.00 0.00 C ATOM 213 OH TYR A 328 0.297 -3.463 -11.068 1.00 0.00 O ATOM 0 H TYR A 328 -2.847 1.546 -10.381 1.00 0.00 H new ATOM 0 HA TYR A 328 -4.671 1.993 -12.578 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -3.144 0.720 -13.858 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.222 1.805 -12.837 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -1.348 0.710 -10.540 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -2.510 -1.494 -13.994 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.027 -1.187 -9.795 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -1.159 -3.392 -13.237 1.00 0.00 H new ATOM 0 HH TYR A 328 -0.274 -4.230 -10.853 1.00 0.00 H new ATOM 223 N LEU A 329 -4.798 -0.735 -10.796 1.00 0.00 N ATOM 224 CA LEU A 329 -5.695 -1.817 -10.433 1.00 0.00 C ATOM 225 C LEU A 329 -6.853 -1.253 -9.616 1.00 0.00 C ATOM 226 O LEU A 329 -6.906 -1.422 -8.378 1.00 0.00 O ATOM 227 CB LEU A 329 -4.954 -2.902 -9.647 1.00 0.00 C ATOM 228 CG LEU A 329 -3.837 -3.617 -10.413 1.00 0.00 C ATOM 229 CD1 LEU A 329 -3.116 -4.598 -9.504 1.00 0.00 C ATOM 230 CD2 LEU A 329 -4.401 -4.335 -11.632 1.00 0.00 C ATOM 0 H LEU A 329 -4.006 -0.612 -10.165 1.00 0.00 H new ATOM 0 HA LEU A 329 -6.084 -2.279 -11.340 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.527 -2.451 -8.751 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -5.678 -3.646 -9.315 1.00 0.00 H new ATOM 0 HG LEU A 329 -3.120 -2.871 -10.755 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -2.325 -5.098 -10.063 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -2.681 -4.061 -8.661 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -3.824 -5.340 -9.135 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -3.593 -4.837 -12.164 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -5.138 -5.072 -11.312 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -4.876 -3.611 -12.294 1.00 0.00 H new ATOM 242 N CYS A 330 -7.719 -0.514 -10.317 1.00 0.00 N ATOM 243 CA CYS A 330 -8.892 0.145 -9.739 1.00 0.00 C ATOM 244 C CYS A 330 -9.540 1.094 -10.734 1.00 0.00 C ATOM 245 O CYS A 330 -10.740 1.000 -10.995 1.00 0.00 O ATOM 246 CB CYS A 330 -8.539 0.967 -8.500 1.00 0.00 C ATOM 247 SG CYS A 330 -8.672 0.070 -6.945 1.00 0.00 S ATOM 0 H CYS A 330 -7.622 -0.355 -11.320 1.00 0.00 H new ATOM 0 HA CYS A 330 -9.576 -0.660 -9.470 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -7.520 1.338 -8.604 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -9.193 1.838 -8.459 1.00 0.00 H new ATOM 252 N LYS A 331 -8.715 2.008 -11.270 1.00 0.00 N ATOM 253 CA LYS A 331 -9.187 3.188 -12.006 1.00 0.00 C ATOM 254 C LYS A 331 -9.701 4.204 -10.986 1.00 0.00 C ATOM 255 O LYS A 331 -10.392 5.170 -11.312 1.00 0.00 O ATOM 256 CB LYS A 331 -10.278 2.833 -13.034 1.00 0.00 C ATOM 257 CG LYS A 331 -10.514 3.904 -14.092 1.00 0.00 C ATOM 258 CD LYS A 331 -9.660 3.677 -15.335 1.00 0.00 C ATOM 259 CE LYS A 331 -8.168 3.728 -15.035 1.00 0.00 C ATOM 260 NZ LYS A 331 -7.352 3.431 -16.239 1.00 0.00 N ATOM 0 H LYS A 331 -7.699 1.947 -11.204 1.00 0.00 H new ATOM 0 HA LYS A 331 -8.361 3.610 -12.578 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -10.004 1.902 -13.531 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -11.213 2.649 -12.505 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -11.567 3.911 -14.372 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -10.289 4.884 -13.672 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -9.907 2.708 -15.770 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -9.903 4.433 -16.082 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -7.908 4.716 -14.654 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -7.931 3.011 -14.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -6.342 3.476 -15.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -7.582 2.479 -16.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -7.559 4.131 -16.980 1.00 0.00 H new ATOM 274 N GLN A 332 -9.290 3.986 -9.741 1.00 0.00 N ATOM 275 CA GLN A 332 -9.752 4.758 -8.608 1.00 0.00 C ATOM 276 C GLN A 332 -8.552 5.224 -7.799 1.00 0.00 C ATOM 277 O GLN A 332 -7.822 4.408 -7.223 1.00 0.00 O ATOM 278 CB GLN A 332 -10.663 3.905 -7.719 1.00 0.00 C ATOM 279 CG GLN A 332 -11.758 3.173 -8.475 1.00 0.00 C ATOM 280 CD GLN A 332 -12.438 2.107 -7.634 1.00 0.00 C ATOM 281 OE1 GLN A 332 -12.887 1.082 -8.154 1.00 0.00 O ATOM 282 NE2 GLN A 332 -12.519 2.331 -6.329 1.00 0.00 N ATOM 0 H GLN A 332 -8.619 3.258 -9.495 1.00 0.00 H new ATOM 0 HA GLN A 332 -10.316 5.618 -8.969 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -10.053 3.175 -7.187 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -11.122 4.546 -6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -12.503 3.893 -8.814 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -11.332 2.711 -9.366 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -12.136 3.190 -5.934 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -12.964 1.644 -5.720 1.00 0.00 H new ATOM 291 N LYS A 333 -8.325 6.520 -7.793 1.00 0.00 N ATOM 292 CA LYS A 333 -7.248 7.100 -7.001 1.00 0.00 C ATOM 293 C LYS A 333 -7.636 7.180 -5.526 1.00 0.00 C ATOM 294 O LYS A 333 -8.234 8.151 -5.068 1.00 0.00 O ATOM 295 CB LYS A 333 -6.802 8.476 -7.541 1.00 0.00 C ATOM 296 CG LYS A 333 -7.856 9.255 -8.325 1.00 0.00 C ATOM 297 CD LYS A 333 -8.978 9.775 -7.442 1.00 0.00 C ATOM 298 CE LYS A 333 -9.996 10.563 -8.248 1.00 0.00 C ATOM 299 NZ LYS A 333 -11.059 11.145 -7.390 1.00 0.00 N ATOM 0 H LYS A 333 -8.870 7.198 -8.327 1.00 0.00 H new ATOM 0 HA LYS A 333 -6.389 6.435 -7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -6.477 9.088 -6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -5.933 8.329 -8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -7.379 10.094 -8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -8.276 8.612 -9.099 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -9.472 8.938 -6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -8.563 10.409 -6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -9.489 11.362 -8.789 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -10.450 9.911 -8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -11.732 11.674 -7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -11.561 10.382 -6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -10.630 11.788 -6.694 1.00 0.00 H new ATOM 313 N GLY A 334 -7.316 6.123 -4.799 1.00 0.00 N ATOM 314 CA GLY A 334 -7.613 6.073 -3.383 1.00 0.00 C ATOM 315 C GLY A 334 -8.800 5.180 -3.070 1.00 0.00 C ATOM 316 O GLY A 334 -9.581 4.853 -3.963 1.00 0.00 O ATOM 0 H GLY A 334 -6.852 5.292 -5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -6.738 5.711 -2.844 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -7.815 7.081 -3.022 1.00 0.00 H new ATOM 320 N VAL A 335 -8.896 4.768 -1.802 1.00 0.00 N ATOM 321 CA VAL A 335 -10.002 3.948 -1.292 1.00 0.00 C ATOM 322 C VAL A 335 -9.591 3.301 0.032 1.00 0.00 C ATOM 323 O VAL A 335 -10.436 2.942 0.853 1.00 0.00 O ATOM 324 CB VAL A 335 -10.458 2.841 -2.282 1.00 0.00 C ATOM 325 CG1 VAL A 335 -9.462 1.695 -2.353 1.00 0.00 C ATOM 326 CG2 VAL A 335 -11.844 2.326 -1.919 1.00 0.00 C ATOM 0 H VAL A 335 -8.200 4.997 -1.092 1.00 0.00 H new ATOM 0 HA VAL A 335 -10.849 4.619 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 335 -10.504 3.294 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -9.821 0.944 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -8.496 2.073 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -9.354 1.245 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -12.141 1.552 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -11.825 1.909 -0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -12.559 3.148 -1.958 1.00 0.00 H new ATOM 336 N GLY A 336 -8.282 3.168 0.229 1.00 0.00 N ATOM 337 CA GLY A 336 -7.762 2.563 1.443 1.00 0.00 C ATOM 338 C GLY A 336 -6.273 2.808 1.615 1.00 0.00 C ATOM 339 O GLY A 336 -5.861 3.887 2.046 1.00 0.00 O ATOM 0 H GLY A 336 -7.569 3.470 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -8.296 2.964 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -7.952 1.490 1.422 1.00 0.00 H new ATOM 343 N ALA A 337 -5.463 1.822 1.250 1.00 0.00 N ATOM 344 CA ALA A 337 -4.018 1.916 1.424 1.00 0.00 C ATOM 345 C ALA A 337 -3.303 1.836 0.083 1.00 0.00 C ATOM 346 O ALA A 337 -3.687 1.051 -0.792 1.00 0.00 O ATOM 347 CB ALA A 337 -3.524 0.820 2.354 1.00 0.00 C ATOM 0 H ALA A 337 -5.782 0.948 0.832 1.00 0.00 H new ATOM 0 HA ALA A 337 -3.792 2.883 1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -2.444 0.904 2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -4.006 0.923 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -3.768 -0.154 1.930 1.00 0.00 H new ATOM 353 N SER A 338 -2.265 2.643 -0.079 1.00 0.00 N ATOM 354 CA SER A 338 -1.547 2.716 -1.339 1.00 0.00 C ATOM 355 C SER A 338 -0.124 2.179 -1.209 1.00 0.00 C ATOM 356 O SER A 338 0.552 2.392 -0.201 1.00 0.00 O ATOM 357 CB SER A 338 -1.520 4.164 -1.832 1.00 0.00 C ATOM 358 OG SER A 338 -1.042 5.038 -0.822 1.00 0.00 O ATOM 0 H SER A 338 -1.902 3.257 0.650 1.00 0.00 H new ATOM 0 HA SER A 338 -2.070 2.091 -2.063 1.00 0.00 H new ATOM 0 HB2 SER A 338 -0.884 4.240 -2.714 1.00 0.00 H new ATOM 0 HB3 SER A 338 -2.522 4.467 -2.135 1.00 0.00 H new ATOM 0 HG SER A 338 -1.033 5.957 -1.162 1.00 0.00 H new ATOM 364 N ILE A 339 0.310 1.471 -2.236 1.00 0.00 N ATOM 365 CA ILE A 339 1.670 0.973 -2.326 1.00 0.00 C ATOM 366 C ILE A 339 2.207 1.261 -3.724 1.00 0.00 C ATOM 367 O ILE A 339 1.493 1.102 -4.715 1.00 0.00 O ATOM 368 CB ILE A 339 1.749 -0.548 -2.011 1.00 0.00 C ATOM 369 CG1 ILE A 339 3.173 -1.086 -2.211 1.00 0.00 C ATOM 370 CG2 ILE A 339 0.764 -1.331 -2.866 1.00 0.00 C ATOM 371 CD1 ILE A 339 4.185 -0.514 -1.240 1.00 0.00 C ATOM 0 H ILE A 339 -0.274 1.224 -3.035 1.00 0.00 H new ATOM 0 HA ILE A 339 2.281 1.483 -1.581 1.00 0.00 H new ATOM 0 HB ILE A 339 1.481 -0.680 -0.963 1.00 0.00 H new ATOM 0 HG12 ILE A 339 3.159 -2.171 -2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 339 3.495 -0.865 -3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 339 0.838 -2.392 -2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 339 -0.249 -0.984 -2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 339 0.996 -1.179 -3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 339 5.167 -0.941 -1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 339 4.229 0.569 -1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 339 3.888 -0.757 -0.220 1.00 0.00 H new ATOM 383 N GLN A 340 3.443 1.714 -3.802 1.00 0.00 N ATOM 384 CA GLN A 340 4.023 2.089 -5.071 1.00 0.00 C ATOM 385 C GLN A 340 5.212 1.196 -5.369 1.00 0.00 C ATOM 386 O GLN A 340 6.089 1.006 -4.526 1.00 0.00 O ATOM 387 CB GLN A 340 4.437 3.561 -5.056 1.00 0.00 C ATOM 388 CG GLN A 340 4.419 4.210 -6.428 1.00 0.00 C ATOM 389 CD GLN A 340 4.687 5.675 -6.379 1.00 0.00 C ATOM 390 OE1 GLN A 340 4.554 6.322 -5.343 1.00 0.00 O ATOM 391 NE2 GLN A 340 4.962 6.222 -7.528 1.00 0.00 N ATOM 0 H GLN A 340 4.063 1.830 -3.000 1.00 0.00 H new ATOM 0 HA GLN A 340 3.280 1.959 -5.858 1.00 0.00 H new ATOM 0 HB2 GLN A 340 3.768 4.111 -4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 340 5.440 3.644 -4.637 1.00 0.00 H new ATOM 0 HG2 GLN A 340 5.165 3.730 -7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 340 3.448 4.039 -6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 340 5.062 5.639 -8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 340 5.077 7.233 -7.597 1.00 0.00 H new ATOM 400 N CYS A 341 5.214 0.624 -6.555 1.00 0.00 N ATOM 401 CA CYS A 341 6.266 -0.291 -6.955 1.00 0.00 C ATOM 402 C CYS A 341 7.574 0.452 -7.159 1.00 0.00 C ATOM 403 O CYS A 341 7.581 1.649 -7.467 1.00 0.00 O ATOM 404 CB CYS A 341 5.905 -1.014 -8.247 1.00 0.00 C ATOM 405 SG CYS A 341 6.437 -0.144 -9.740 1.00 0.00 S ATOM 0 H CYS A 341 4.496 0.777 -7.263 1.00 0.00 H new ATOM 0 HA CYS A 341 6.380 -1.022 -6.155 1.00 0.00 H new ATOM 0 HB2 CYS A 341 6.355 -2.006 -8.236 1.00 0.00 H new ATOM 0 HB3 CYS A 341 4.825 -1.155 -8.285 1.00 0.00 H new ATOM 410 N HIS A 342 8.661 -0.296 -7.061 1.00 0.00 N ATOM 411 CA HIS A 342 10.007 0.264 -7.111 1.00 0.00 C ATOM 412 C HIS A 342 10.443 0.462 -8.575 1.00 0.00 C ATOM 413 O HIS A 342 9.624 0.310 -9.483 1.00 0.00 O ATOM 414 CB HIS A 342 10.955 -0.682 -6.353 1.00 0.00 C ATOM 415 CG HIS A 342 12.303 -0.112 -6.014 1.00 0.00 C ATOM 416 ND1 HIS A 342 13.539 -0.443 -6.457 1.00 0.00 N flip ATOM 417 CD2 HIS A 342 12.488 0.907 -5.105 1.00 0.00 C flip ATOM 418 CE1 HIS A 342 14.435 0.371 -5.816 1.00 0.00 C flip ATOM 419 NE2 HIS A 342 13.775 1.177 -5.007 1.00 0.00 N flip ATOM 0 H HIS A 342 8.638 -1.309 -6.944 1.00 0.00 H new ATOM 0 HA HIS A 342 10.034 1.244 -6.634 1.00 0.00 H new ATOM 0 HB2 HIS A 342 10.468 -0.992 -5.428 1.00 0.00 H new ATOM 0 HB3 HIS A 342 11.100 -1.580 -6.953 1.00 0.00 H new ATOM 0 HD2 HIS A 342 11.702 1.406 -4.558 1.00 0.00 H new ATOM 0 HE1 HIS A 342 15.506 0.355 -5.951 1.00 0.00 H new ATOM 0 HE2 HIS A 342 14.190 1.889 -4.407 1.00 0.00 H new ATOM 428 N LYS A 343 11.722 0.801 -8.776 1.00 0.00 N ATOM 429 CA LYS A 343 12.307 1.068 -10.097 1.00 0.00 C ATOM 430 C LYS A 343 11.952 2.485 -10.535 1.00 0.00 C ATOM 431 O LYS A 343 10.792 2.785 -10.828 1.00 0.00 O ATOM 432 CB LYS A 343 11.851 0.028 -11.131 1.00 0.00 C ATOM 433 CG LYS A 343 12.859 -0.283 -12.231 1.00 0.00 C ATOM 434 CD LYS A 343 12.997 0.852 -13.227 1.00 0.00 C ATOM 435 CE LYS A 343 13.795 0.416 -14.447 1.00 0.00 C ATOM 436 NZ LYS A 343 15.167 -0.036 -14.092 1.00 0.00 N ATOM 0 H LYS A 343 12.391 0.899 -8.013 1.00 0.00 H new ATOM 0 HA LYS A 343 13.392 0.986 -10.025 1.00 0.00 H new ATOM 0 HB2 LYS A 343 11.611 -0.898 -10.609 1.00 0.00 H new ATOM 0 HB3 LYS A 343 10.930 0.381 -11.594 1.00 0.00 H new ATOM 0 HG2 LYS A 343 13.831 -0.489 -11.782 1.00 0.00 H new ATOM 0 HG3 LYS A 343 12.552 -1.188 -12.756 1.00 0.00 H new ATOM 0 HD2 LYS A 343 12.008 1.190 -13.537 1.00 0.00 H new ATOM 0 HD3 LYS A 343 13.489 1.700 -12.751 1.00 0.00 H new ATOM 0 HE2 LYS A 343 13.268 -0.393 -14.953 1.00 0.00 H new ATOM 0 HE3 LYS A 343 13.859 1.245 -15.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 15.716 -0.194 -14.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 15.634 0.692 -13.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 15.111 -0.923 -13.552 1.00 0.00 H new ATOM 450 N ALA A 344 12.975 3.343 -10.562 1.00 0.00 N ATOM 451 CA ALA A 344 12.813 4.777 -10.802 1.00 0.00 C ATOM 452 C ALA A 344 11.944 5.072 -12.019 1.00 0.00 C ATOM 453 O ALA A 344 10.899 5.709 -11.904 1.00 0.00 O ATOM 454 CB ALA A 344 14.177 5.430 -10.957 1.00 0.00 C ATOM 0 H ALA A 344 13.944 3.059 -10.417 1.00 0.00 H new ATOM 0 HA ALA A 344 12.299 5.196 -9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 344 14.051 6.498 -11.136 1.00 0.00 H new ATOM 0 HB2 ALA A 344 14.758 5.280 -10.047 1.00 0.00 H new ATOM 0 HB3 ALA A 344 14.702 4.981 -11.800 1.00 0.00 H new ATOM 460 N ASN A 345 12.363 4.597 -13.183 1.00 0.00 N ATOM 461 CA ASN A 345 11.611 4.848 -14.405 1.00 0.00 C ATOM 462 C ASN A 345 10.476 3.843 -14.564 1.00 0.00 C ATOM 463 O ASN A 345 10.437 3.063 -15.516 1.00 0.00 O ATOM 464 CB ASN A 345 12.525 4.837 -15.635 1.00 0.00 C ATOM 465 CG ASN A 345 13.361 6.099 -15.745 1.00 0.00 C ATOM 466 OD1 ASN A 345 12.940 7.087 -16.349 1.00 0.00 O ATOM 467 ND2 ASN A 345 14.553 6.081 -15.169 1.00 0.00 N ATOM 0 H ASN A 345 13.210 4.042 -13.308 1.00 0.00 H new ATOM 0 HA ASN A 345 11.174 5.843 -14.324 1.00 0.00 H new ATOM 0 HB2 ASN A 345 13.184 3.970 -15.587 1.00 0.00 H new ATOM 0 HB3 ASN A 345 11.919 4.726 -16.534 1.00 0.00 H new ATOM 0 HD21 ASN A 345 15.155 6.903 -15.217 1.00 0.00 H new ATOM 0 HD22 ASN A 345 14.869 5.245 -14.677 1.00 0.00 H new ATOM 474 N CYS A 346 9.574 3.853 -13.596 1.00 0.00 N ATOM 475 CA CYS A 346 8.373 3.043 -13.649 1.00 0.00 C ATOM 476 C CYS A 346 7.280 3.684 -12.803 1.00 0.00 C ATOM 477 O CYS A 346 6.254 4.103 -13.334 1.00 0.00 O ATOM 478 CB CYS A 346 8.652 1.614 -13.165 1.00 0.00 C ATOM 479 SG CYS A 346 7.210 0.513 -13.213 1.00 0.00 S ATOM 0 H CYS A 346 9.656 4.423 -12.754 1.00 0.00 H new ATOM 0 HA CYS A 346 8.039 2.988 -14.685 1.00 0.00 H new ATOM 0 HB2 CYS A 346 9.444 1.183 -13.778 1.00 0.00 H new ATOM 0 HB3 CYS A 346 9.028 1.656 -12.143 1.00 0.00 H new ATOM 484 N TYR A 347 7.528 3.773 -11.489 1.00 0.00 N ATOM 485 CA TYR A 347 6.571 4.348 -10.537 1.00 0.00 C ATOM 486 C TYR A 347 5.161 3.806 -10.743 1.00 0.00 C ATOM 487 O TYR A 347 4.323 4.450 -11.373 1.00 0.00 O ATOM 488 CB TYR A 347 6.547 5.876 -10.629 1.00 0.00 C ATOM 489 CG TYR A 347 7.690 6.558 -9.921 1.00 0.00 C ATOM 490 CD1 TYR A 347 8.053 6.179 -8.637 1.00 0.00 C ATOM 491 CD2 TYR A 347 8.391 7.590 -10.527 1.00 0.00 C ATOM 492 CE1 TYR A 347 9.085 6.809 -7.976 1.00 0.00 C ATOM 493 CE2 TYR A 347 9.423 8.229 -9.870 1.00 0.00 C ATOM 494 CZ TYR A 347 9.766 7.834 -8.595 1.00 0.00 C ATOM 495 OH TYR A 347 10.790 8.471 -7.933 1.00 0.00 O ATOM 0 H TYR A 347 8.394 3.450 -11.059 1.00 0.00 H new ATOM 0 HA TYR A 347 6.910 4.053 -9.544 1.00 0.00 H new ATOM 0 HB2 TYR A 347 6.561 6.165 -11.680 1.00 0.00 H new ATOM 0 HB3 TYR A 347 5.608 6.239 -10.211 1.00 0.00 H new ATOM 0 HD1 TYR A 347 7.519 5.378 -8.148 1.00 0.00 H new ATOM 0 HD2 TYR A 347 8.125 7.898 -11.527 1.00 0.00 H new ATOM 0 HE1 TYR A 347 9.359 6.501 -6.978 1.00 0.00 H new ATOM 0 HE2 TYR A 347 9.958 9.034 -10.352 1.00 0.00 H new ATOM 0 HH TYR A 347 11.167 9.169 -8.508 1.00 0.00 H new ATOM 505 N THR A 348 4.888 2.627 -10.218 1.00 0.00 N ATOM 506 CA THR A 348 3.571 2.036 -10.411 1.00 0.00 C ATOM 507 C THR A 348 2.787 2.044 -9.102 1.00 0.00 C ATOM 508 O THR A 348 3.163 1.364 -8.150 1.00 0.00 O ATOM 509 CB THR A 348 3.660 0.594 -10.962 1.00 0.00 C ATOM 510 OG1 THR A 348 4.758 0.473 -11.902 1.00 0.00 O ATOM 511 CG2 THR A 348 2.362 0.212 -11.659 1.00 0.00 C ATOM 0 H THR A 348 5.540 2.068 -9.667 1.00 0.00 H new ATOM 0 HA THR A 348 3.049 2.644 -11.150 1.00 0.00 H new ATOM 0 HB THR A 348 3.832 -0.077 -10.121 1.00 0.00 H new ATOM 0 HG21 THR A 348 2.440 -0.806 -12.041 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.537 0.270 -10.949 1.00 0.00 H new ATOM 0 HG23 THR A 348 2.178 0.897 -12.486 1.00 0.00 H new ATOM 519 N ALA A 349 1.704 2.810 -9.060 1.00 0.00 N ATOM 520 CA ALA A 349 0.933 2.972 -7.834 1.00 0.00 C ATOM 521 C ALA A 349 -0.316 2.095 -7.833 1.00 0.00 C ATOM 522 O ALA A 349 -1.087 2.083 -8.795 1.00 0.00 O ATOM 523 CB ALA A 349 0.552 4.432 -7.649 1.00 0.00 C ATOM 0 H ALA A 349 1.340 3.328 -9.860 1.00 0.00 H new ATOM 0 HA ALA A 349 1.559 2.654 -7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 349 -0.024 4.544 -6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 349 1.455 5.039 -7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 349 -0.049 4.761 -8.497 1.00 0.00 H new ATOM 529 N PHE A 350 -0.502 1.357 -6.749 1.00 0.00 N ATOM 530 CA PHE A 350 -1.670 0.505 -6.586 1.00 0.00 C ATOM 531 C PHE A 350 -2.008 0.340 -5.107 1.00 0.00 C ATOM 532 O PHE A 350 -1.450 1.028 -4.256 1.00 0.00 O ATOM 533 CB PHE A 350 -1.470 -0.863 -7.272 1.00 0.00 C ATOM 534 CG PHE A 350 -0.183 -1.578 -6.933 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.036 -1.094 -7.384 1.00 0.00 C ATOM 536 CD2 PHE A 350 -0.194 -2.749 -6.190 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.213 -1.754 -7.095 1.00 0.00 C ATOM 538 CE2 PHE A 350 0.984 -3.412 -5.899 1.00 0.00 C ATOM 539 CZ PHE A 350 2.187 -2.916 -6.354 1.00 0.00 C ATOM 0 H PHE A 350 0.147 1.332 -5.963 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.514 0.990 -7.076 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -2.306 -1.510 -7.005 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.511 -0.718 -8.352 1.00 0.00 H new ATOM 0 HD1 PHE A 350 1.065 -0.187 -7.970 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -1.133 -3.147 -5.835 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.154 -1.360 -7.449 1.00 0.00 H new ATOM 0 HE2 PHE A 350 0.962 -4.320 -5.314 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.107 -3.436 -6.131 1.00 0.00 H new ATOM 549 N HIS A 351 -2.947 -0.540 -4.804 1.00 0.00 N ATOM 550 CA HIS A 351 -3.380 -0.737 -3.421 1.00 0.00 C ATOM 551 C HIS A 351 -2.773 -1.997 -2.832 1.00 0.00 C ATOM 552 O HIS A 351 -2.410 -2.918 -3.561 1.00 0.00 O ATOM 553 CB HIS A 351 -4.902 -0.848 -3.324 1.00 0.00 C ATOM 554 CG HIS A 351 -5.639 0.397 -3.691 1.00 0.00 C ATOM 555 ND1 HIS A 351 -6.515 0.465 -4.762 1.00 0.00 N ATOM 556 CD2 HIS A 351 -5.651 1.624 -3.114 1.00 0.00 C ATOM 557 CE1 HIS A 351 -7.027 1.693 -4.818 1.00 0.00 C ATOM 558 NE2 HIS A 351 -6.521 2.406 -3.833 1.00 0.00 N ATOM 0 H HIS A 351 -3.424 -1.128 -5.487 1.00 0.00 H new ATOM 0 HA HIS A 351 -3.041 0.134 -2.861 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -5.236 -1.657 -3.973 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -5.169 -1.126 -2.304 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -5.081 1.930 -2.249 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.739 2.046 -5.550 1.00 0.00 H new ATOM 0 HE2 HIS A 351 -6.740 3.382 -3.636 1.00 0.00 H new ATOM 566 N VAL A 352 -2.690 -2.037 -1.509 1.00 0.00 N ATOM 567 CA VAL A 352 -2.231 -3.228 -0.802 1.00 0.00 C ATOM 568 C VAL A 352 -3.161 -4.404 -1.095 1.00 0.00 C ATOM 569 O VAL A 352 -2.717 -5.540 -1.259 1.00 0.00 O ATOM 570 CB VAL A 352 -2.165 -2.989 0.723 1.00 0.00 C ATOM 571 CG1 VAL A 352 -1.665 -4.228 1.450 1.00 0.00 C ATOM 572 CG2 VAL A 352 -1.278 -1.795 1.039 1.00 0.00 C ATOM 0 H VAL A 352 -2.935 -1.256 -0.901 1.00 0.00 H new ATOM 0 HA VAL A 352 -1.226 -3.458 -1.157 1.00 0.00 H new ATOM 0 HB VAL A 352 -3.175 -2.775 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 352 -1.629 -4.031 2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -2.341 -5.061 1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 352 -0.667 -4.481 1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 352 -1.244 -1.642 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 352 -0.271 -1.982 0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -1.683 -0.904 0.559 1.00 0.00 H new ATOM 582 N THR A 353 -4.457 -4.118 -1.183 1.00 0.00 N ATOM 583 CA THR A 353 -5.441 -5.138 -1.520 1.00 0.00 C ATOM 584 C THR A 353 -5.245 -5.628 -2.960 1.00 0.00 C ATOM 585 O THR A 353 -5.457 -6.802 -3.256 1.00 0.00 O ATOM 586 CB THR A 353 -6.893 -4.632 -1.313 1.00 0.00 C ATOM 587 OG1 THR A 353 -7.833 -5.655 -1.657 1.00 0.00 O ATOM 588 CG2 THR A 353 -7.172 -3.389 -2.144 1.00 0.00 C ATOM 0 H THR A 353 -4.848 -3.189 -1.026 1.00 0.00 H new ATOM 0 HA THR A 353 -5.284 -5.975 -0.840 1.00 0.00 H new ATOM 0 HB THR A 353 -7.003 -4.376 -0.259 1.00 0.00 H new ATOM 0 HG1 THR A 353 -8.744 -5.322 -1.520 1.00 0.00 H new ATOM 0 HG21 THR A 353 -8.198 -3.061 -1.975 1.00 0.00 H new ATOM 0 HG22 THR A 353 -6.485 -2.595 -1.853 1.00 0.00 H new ATOM 0 HG23 THR A 353 -7.034 -3.619 -3.200 1.00 0.00 H new ATOM 596 N CYS A 354 -4.791 -4.734 -3.842 1.00 0.00 N ATOM 597 CA CYS A 354 -4.541 -5.100 -5.233 1.00 0.00 C ATOM 598 C CYS A 354 -3.414 -6.120 -5.307 1.00 0.00 C ATOM 599 O CYS A 354 -3.486 -7.084 -6.062 1.00 0.00 O ATOM 600 CB CYS A 354 -4.180 -3.866 -6.067 1.00 0.00 C ATOM 601 SG CYS A 354 -5.452 -2.577 -6.099 1.00 0.00 S ATOM 0 H CYS A 354 -4.591 -3.759 -3.617 1.00 0.00 H new ATOM 0 HA CYS A 354 -5.453 -5.537 -5.641 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -3.257 -3.437 -5.676 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -3.976 -4.182 -7.090 1.00 0.00 H new ATOM 606 N ALA A 355 -2.388 -5.907 -4.491 1.00 0.00 N ATOM 607 CA ALA A 355 -1.248 -6.809 -4.439 1.00 0.00 C ATOM 608 C ALA A 355 -1.663 -8.182 -3.920 1.00 0.00 C ATOM 609 O ALA A 355 -1.121 -9.203 -4.340 1.00 0.00 O ATOM 610 CB ALA A 355 -0.155 -6.221 -3.562 1.00 0.00 C ATOM 0 H ALA A 355 -2.324 -5.113 -3.854 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.862 -6.932 -5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 355 0.693 -6.905 -3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.166 -5.264 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -0.539 -6.072 -2.553 1.00 0.00 H new ATOM 616 N GLN A 356 -2.627 -8.192 -3.008 1.00 0.00 N ATOM 617 CA GLN A 356 -3.151 -9.436 -2.452 1.00 0.00 C ATOM 618 C GLN A 356 -3.996 -10.178 -3.481 1.00 0.00 C ATOM 619 O GLN A 356 -3.930 -11.400 -3.583 1.00 0.00 O ATOM 620 CB GLN A 356 -3.973 -9.152 -1.196 1.00 0.00 C ATOM 621 CG GLN A 356 -3.132 -8.668 -0.027 1.00 0.00 C ATOM 622 CD GLN A 356 -3.975 -8.201 1.140 1.00 0.00 C ATOM 623 OE1 GLN A 356 -4.267 -6.913 1.175 1.00 0.00 O flip ATOM 624 NE2 GLN A 356 -4.351 -8.989 2.008 1.00 0.00 N flip ATOM 0 H GLN A 356 -3.064 -7.349 -2.635 1.00 0.00 H new ATOM 0 HA GLN A 356 -2.307 -10.071 -2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -4.729 -8.402 -1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -4.503 -10.059 -0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 356 -2.476 -9.474 0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -2.491 -7.851 -0.358 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -4.103 -9.976 1.942 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -4.910 -8.655 2.793 1.00 0.00 H new ATOM 633 N LYS A 357 -4.790 -9.428 -4.241 1.00 0.00 N ATOM 634 CA LYS A 357 -5.595 -10.004 -5.315 1.00 0.00 C ATOM 635 C LYS A 357 -4.700 -10.545 -6.423 1.00 0.00 C ATOM 636 O LYS A 357 -4.995 -11.568 -7.039 1.00 0.00 O ATOM 637 CB LYS A 357 -6.556 -8.955 -5.895 1.00 0.00 C ATOM 638 CG LYS A 357 -7.964 -8.955 -5.297 1.00 0.00 C ATOM 639 CD LYS A 357 -7.995 -8.513 -3.838 1.00 0.00 C ATOM 640 CE LYS A 357 -7.743 -9.666 -2.877 1.00 0.00 C ATOM 641 NZ LYS A 357 -8.759 -10.743 -3.020 1.00 0.00 N ATOM 0 H LYS A 357 -4.893 -8.419 -4.133 1.00 0.00 H new ATOM 0 HA LYS A 357 -6.178 -10.824 -4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -6.118 -7.967 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -6.636 -9.115 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -8.601 -8.294 -5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -8.386 -9.957 -5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -7.243 -7.740 -3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -8.964 -8.065 -3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -6.750 -10.078 -3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -7.752 -9.293 -1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -9.139 -10.988 -2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -9.532 -10.412 -3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -8.317 -11.583 -3.445 1.00 0.00 H new ATOM 655 N ALA A 358 -3.601 -9.847 -6.659 1.00 0.00 N ATOM 656 CA ALA A 358 -2.667 -10.207 -7.712 1.00 0.00 C ATOM 657 C ALA A 358 -1.770 -11.366 -7.299 1.00 0.00 C ATOM 658 O ALA A 358 -1.675 -12.374 -8.002 1.00 0.00 O ATOM 659 CB ALA A 358 -1.820 -9.002 -8.071 1.00 0.00 C ATOM 0 H ALA A 358 -3.332 -9.018 -6.128 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.244 -10.529 -8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -1.119 -9.272 -8.861 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -2.465 -8.195 -8.418 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.266 -8.672 -7.192 1.00 0.00 H new ATOM 665 N GLY A 359 -1.123 -11.224 -6.151 1.00 0.00 N ATOM 666 CA GLY A 359 -0.129 -12.192 -5.737 1.00 0.00 C ATOM 667 C GLY A 359 1.190 -11.940 -6.431 1.00 0.00 C ATOM 668 O GLY A 359 1.863 -12.870 -6.870 1.00 0.00 O ATOM 0 H GLY A 359 -1.269 -10.454 -5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 359 0.008 -12.140 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.478 -13.199 -5.966 1.00 0.00 H new ATOM 672 N LEU A 360 1.557 -10.671 -6.528 1.00 0.00 N ATOM 673 CA LEU A 360 2.754 -10.271 -7.253 1.00 0.00 C ATOM 674 C LEU A 360 3.999 -10.349 -6.372 1.00 0.00 C ATOM 675 O LEU A 360 3.933 -10.798 -5.225 1.00 0.00 O ATOM 676 CB LEU A 360 2.577 -8.868 -7.857 1.00 0.00 C ATOM 677 CG LEU A 360 1.903 -7.817 -6.961 1.00 0.00 C ATOM 678 CD1 LEU A 360 2.824 -7.377 -5.830 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.480 -6.621 -7.797 1.00 0.00 C ATOM 0 H LEU A 360 1.040 -9.897 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 360 2.901 -10.975 -8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.560 -8.493 -8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 360 1.993 -8.962 -8.772 1.00 0.00 H new ATOM 0 HG LEU A 360 1.020 -8.270 -6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 360 2.316 -6.633 -5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.084 -8.239 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 360 3.732 -6.943 -6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 360 1.003 -5.880 -7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 360 2.357 -6.180 -8.271 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.776 -6.944 -8.564 1.00 0.00 H new ATOM 691 N TYR A 361 5.124 -9.899 -6.910 1.00 0.00 N ATOM 692 CA TYR A 361 6.417 -10.070 -6.262 1.00 0.00 C ATOM 693 C TYR A 361 6.705 -8.964 -5.253 1.00 0.00 C ATOM 694 O TYR A 361 6.566 -7.773 -5.551 1.00 0.00 O ATOM 695 CB TYR A 361 7.527 -10.116 -7.316 1.00 0.00 C ATOM 696 CG TYR A 361 8.906 -10.371 -6.745 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.388 -11.663 -6.599 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.723 -9.319 -6.348 1.00 0.00 C ATOM 699 CE1 TYR A 361 10.644 -11.902 -6.077 1.00 0.00 C ATOM 700 CE2 TYR A 361 10.979 -9.550 -5.827 1.00 0.00 C ATOM 701 CZ TYR A 361 11.435 -10.843 -5.692 1.00 0.00 C ATOM 702 OH TYR A 361 12.685 -11.079 -5.164 1.00 0.00 O ATOM 0 H TYR A 361 5.167 -9.408 -7.803 1.00 0.00 H new ATOM 0 HA TYR A 361 6.387 -11.013 -5.715 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.294 -10.897 -8.040 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.538 -9.171 -7.859 1.00 0.00 H new ATOM 0 HD1 TYR A 361 8.770 -12.497 -6.899 1.00 0.00 H new ATOM 0 HD2 TYR A 361 9.368 -8.304 -6.449 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.004 -12.915 -5.971 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.602 -8.721 -5.526 1.00 0.00 H new ATOM 0 HH TYR A 361 13.050 -11.905 -5.544 1.00 0.00 H new ATOM 712 N MET A 362 7.116 -9.370 -4.061 1.00 0.00 N ATOM 713 CA MET A 362 7.557 -8.445 -3.031 1.00 0.00 C ATOM 714 C MET A 362 8.910 -8.872 -2.486 1.00 0.00 C ATOM 715 O MET A 362 9.188 -10.065 -2.350 1.00 0.00 O ATOM 716 CB MET A 362 6.535 -8.350 -1.896 1.00 0.00 C ATOM 717 CG MET A 362 5.360 -7.441 -2.205 1.00 0.00 C ATOM 718 SD MET A 362 4.170 -7.364 -0.853 1.00 0.00 S ATOM 719 CE MET A 362 2.995 -6.179 -1.502 1.00 0.00 C ATOM 0 H MET A 362 7.153 -10.350 -3.782 1.00 0.00 H new ATOM 0 HA MET A 362 7.651 -7.457 -3.483 1.00 0.00 H new ATOM 0 HB2 MET A 362 6.161 -9.349 -1.672 1.00 0.00 H new ATOM 0 HB3 MET A 362 7.036 -7.989 -0.998 1.00 0.00 H new ATOM 0 HG2 MET A 362 5.728 -6.437 -2.418 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.859 -7.795 -3.106 1.00 0.00 H new ATOM 0 HE1 MET A 362 2.083 -6.207 -0.906 1.00 0.00 H new ATOM 0 HE2 MET A 362 3.426 -5.179 -1.459 1.00 0.00 H new ATOM 0 HE3 MET A 362 2.760 -6.429 -2.537 1.00 0.00 H new ATOM 729 N LYS A 363 9.755 -7.899 -2.201 1.00 0.00 N ATOM 730 CA LYS A 363 11.081 -8.144 -1.658 1.00 0.00 C ATOM 731 C LYS A 363 11.269 -7.261 -0.430 1.00 0.00 C ATOM 732 O LYS A 363 10.569 -6.259 -0.277 1.00 0.00 O ATOM 733 CB LYS A 363 12.135 -7.846 -2.731 1.00 0.00 C ATOM 734 CG LYS A 363 13.482 -8.513 -2.492 1.00 0.00 C ATOM 735 CD LYS A 363 14.312 -8.556 -3.772 1.00 0.00 C ATOM 736 CE LYS A 363 14.749 -7.170 -4.227 1.00 0.00 C ATOM 737 NZ LYS A 363 15.895 -6.659 -3.434 1.00 0.00 N ATOM 0 H LYS A 363 9.541 -6.911 -2.340 1.00 0.00 H new ATOM 0 HA LYS A 363 11.193 -9.187 -1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 363 11.751 -8.167 -3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 363 12.282 -6.768 -2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 363 14.027 -7.970 -1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 363 13.328 -9.526 -2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 363 15.193 -9.177 -3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 363 13.730 -9.029 -4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 363 15.025 -7.205 -5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 363 13.911 -6.479 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 15.664 -5.718 -3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 16.090 -7.310 -2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 16.735 -6.590 -4.043 1.00 0.00 H new ATOM 751 N MET A 364 12.199 -7.613 0.447 1.00 0.00 N ATOM 752 CA MET A 364 12.337 -6.936 1.721 1.00 0.00 C ATOM 753 C MET A 364 13.782 -7.002 2.138 1.00 0.00 C ATOM 754 O MET A 364 14.290 -8.052 2.533 1.00 0.00 O ATOM 755 CB MET A 364 11.448 -7.554 2.809 1.00 0.00 C ATOM 756 CG MET A 364 9.959 -7.492 2.512 1.00 0.00 C ATOM 757 SD MET A 364 8.950 -8.064 3.890 1.00 0.00 S ATOM 758 CE MET A 364 7.321 -7.991 3.152 1.00 0.00 C ATOM 0 H MET A 364 12.869 -8.367 0.295 1.00 0.00 H new ATOM 0 HA MET A 364 12.014 -5.902 1.600 1.00 0.00 H new ATOM 0 HB2 MET A 364 11.736 -8.596 2.948 1.00 0.00 H new ATOM 0 HB3 MET A 364 11.640 -7.042 3.752 1.00 0.00 H new ATOM 0 HG2 MET A 364 9.684 -6.466 2.267 1.00 0.00 H new ATOM 0 HG3 MET A 364 9.743 -8.098 1.632 1.00 0.00 H new ATOM 0 HE1 MET A 364 6.577 -8.316 3.880 1.00 0.00 H new ATOM 0 HE2 MET A 364 7.106 -6.967 2.845 1.00 0.00 H new ATOM 0 HE3 MET A 364 7.286 -8.645 2.281 1.00 0.00 H new ATOM 768 N GLU A 365 14.436 -5.882 2.021 1.00 0.00 N ATOM 769 CA GLU A 365 15.852 -5.798 2.239 1.00 0.00 C ATOM 770 C GLU A 365 16.138 -5.275 3.637 1.00 0.00 C ATOM 771 O GLU A 365 15.668 -4.201 4.008 1.00 0.00 O ATOM 772 CB GLU A 365 16.445 -4.871 1.191 1.00 0.00 C ATOM 773 CG GLU A 365 16.286 -5.359 -0.238 1.00 0.00 C ATOM 774 CD GLU A 365 16.777 -6.775 -0.445 1.00 0.00 C ATOM 775 OE1 GLU A 365 17.976 -7.042 -0.225 1.00 0.00 O ATOM 776 OE2 GLU A 365 15.966 -7.617 -0.877 1.00 0.00 O ATOM 0 H GLU A 365 13.999 -4.995 1.770 1.00 0.00 H new ATOM 0 HA GLU A 365 16.303 -6.787 2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 365 15.976 -3.891 1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 365 17.506 -4.737 1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 365 15.234 -5.302 -0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 365 16.831 -4.692 -0.905 1.00 0.00 H new ATOM 783 N PRO A 366 16.886 -6.030 4.442 1.00 0.00 N ATOM 784 CA PRO A 366 17.278 -5.583 5.772 1.00 0.00 C ATOM 785 C PRO A 366 18.366 -4.516 5.700 1.00 0.00 C ATOM 786 O PRO A 366 19.509 -4.798 5.335 1.00 0.00 O ATOM 787 CB PRO A 366 17.798 -6.856 6.438 1.00 0.00 C ATOM 788 CG PRO A 366 18.272 -7.710 5.310 1.00 0.00 C ATOM 789 CD PRO A 366 17.404 -7.375 4.126 1.00 0.00 C ATOM 0 HA PRO A 366 16.457 -5.122 6.321 1.00 0.00 H new ATOM 0 HB2 PRO A 366 18.607 -6.636 7.135 1.00 0.00 H new ATOM 0 HB3 PRO A 366 17.013 -7.353 7.008 1.00 0.00 H new ATOM 0 HG2 PRO A 366 19.321 -7.514 5.090 1.00 0.00 H new ATOM 0 HG3 PRO A 366 18.191 -8.767 5.563 1.00 0.00 H new ATOM 0 HD2 PRO A 366 17.975 -7.376 3.198 1.00 0.00 H new ATOM 0 HD3 PRO A 366 16.596 -8.097 4.004 1.00 0.00 H new ATOM 797 N VAL A 367 18.008 -3.284 6.023 1.00 0.00 N ATOM 798 CA VAL A 367 18.961 -2.193 5.967 1.00 0.00 C ATOM 799 C VAL A 367 19.590 -1.970 7.332 1.00 0.00 C ATOM 800 O VAL A 367 18.942 -1.505 8.274 1.00 0.00 O ATOM 801 CB VAL A 367 18.337 -0.880 5.440 1.00 0.00 C ATOM 802 CG1 VAL A 367 18.214 -0.925 3.924 1.00 0.00 C ATOM 803 CG2 VAL A 367 16.979 -0.626 6.075 1.00 0.00 C ATOM 0 H VAL A 367 17.071 -3.018 6.324 1.00 0.00 H new ATOM 0 HA VAL A 367 19.734 -2.484 5.255 1.00 0.00 H new ATOM 0 HB VAL A 367 18.997 -0.057 5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 367 17.773 0.006 3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 367 19.202 -1.051 3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 367 17.578 -1.762 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 367 16.564 0.304 5.686 1.00 0.00 H new ATOM 0 HG22 VAL A 367 16.307 -1.451 5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 367 17.092 -0.549 7.156 1.00 0.00 H new ATOM 813 N LYS A 368 20.849 -2.351 7.441 1.00 0.00 N ATOM 814 CA LYS A 368 21.574 -2.204 8.682 1.00 0.00 C ATOM 815 C LYS A 368 22.104 -0.780 8.784 1.00 0.00 C ATOM 816 O LYS A 368 23.093 -0.420 8.148 1.00 0.00 O ATOM 817 CB LYS A 368 22.712 -3.233 8.747 1.00 0.00 C ATOM 818 CG LYS A 368 23.086 -3.666 10.159 1.00 0.00 C ATOM 819 CD LYS A 368 23.752 -2.554 10.951 1.00 0.00 C ATOM 820 CE LYS A 368 25.107 -2.187 10.373 1.00 0.00 C ATOM 821 NZ LYS A 368 25.786 -1.143 11.179 1.00 0.00 N ATOM 0 H LYS A 368 21.389 -2.765 6.681 1.00 0.00 H new ATOM 0 HA LYS A 368 20.911 -2.388 9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 368 22.423 -4.114 8.174 1.00 0.00 H new ATOM 0 HB3 LYS A 368 23.594 -2.813 8.263 1.00 0.00 H new ATOM 0 HG2 LYS A 368 22.189 -3.995 10.684 1.00 0.00 H new ATOM 0 HG3 LYS A 368 23.757 -4.523 10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 368 23.108 -1.675 10.956 1.00 0.00 H new ATOM 0 HD3 LYS A 368 23.871 -2.867 11.988 1.00 0.00 H new ATOM 0 HE2 LYS A 368 25.735 -3.076 10.327 1.00 0.00 H new ATOM 0 HE3 LYS A 368 24.982 -1.832 9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 26.708 -0.920 10.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 25.198 -0.285 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 25.929 -1.491 12.149 1.00 0.00 H new ATOM 835 N GLU A 369 21.418 0.028 9.569 1.00 0.00 N ATOM 836 CA GLU A 369 21.767 1.423 9.756 1.00 0.00 C ATOM 837 C GLU A 369 22.621 1.597 11.009 1.00 0.00 C ATOM 838 O GLU A 369 22.908 0.635 11.723 1.00 0.00 O ATOM 839 CB GLU A 369 20.521 2.304 9.821 1.00 0.00 C ATOM 840 CG GLU A 369 19.671 2.276 8.563 1.00 0.00 C ATOM 841 CD GLU A 369 18.467 3.187 8.671 1.00 0.00 C ATOM 842 OE1 GLU A 369 18.596 4.387 8.344 1.00 0.00 O ATOM 843 OE2 GLU A 369 17.388 2.717 9.092 1.00 0.00 O ATOM 0 H GLU A 369 20.598 -0.267 10.098 1.00 0.00 H new ATOM 0 HA GLU A 369 22.351 1.742 8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 369 19.910 1.987 10.666 1.00 0.00 H new ATOM 0 HB3 GLU A 369 20.827 3.332 10.016 1.00 0.00 H new ATOM 0 HG2 GLU A 369 20.278 2.577 7.709 1.00 0.00 H new ATOM 0 HG3 GLU A 369 19.338 1.256 8.373 1.00 0.00 H new ATOM 850 N LEU A 370 23.030 2.825 11.260 1.00 0.00 N ATOM 851 CA LEU A 370 24.074 3.114 12.226 1.00 0.00 C ATOM 852 C LEU A 370 23.720 4.396 12.958 1.00 0.00 C ATOM 853 O LEU A 370 23.809 4.492 14.180 1.00 0.00 O ATOM 854 CB LEU A 370 25.410 3.285 11.495 1.00 0.00 C ATOM 855 CG LEU A 370 26.654 3.333 12.382 1.00 0.00 C ATOM 856 CD1 LEU A 370 26.942 1.960 12.961 1.00 0.00 C ATOM 857 CD2 LEU A 370 27.852 3.842 11.592 1.00 0.00 C ATOM 0 H LEU A 370 22.648 3.652 10.800 1.00 0.00 H new ATOM 0 HA LEU A 370 24.161 2.295 12.940 1.00 0.00 H new ATOM 0 HB2 LEU A 370 25.523 2.463 10.788 1.00 0.00 H new ATOM 0 HB3 LEU A 370 25.368 4.205 10.911 1.00 0.00 H new ATOM 0 HG LEU A 370 26.467 4.023 13.205 1.00 0.00 H new ATOM 0 HD11 LEU A 370 27.831 2.010 13.590 1.00 0.00 H new ATOM 0 HD12 LEU A 370 26.092 1.632 13.559 1.00 0.00 H new ATOM 0 HD13 LEU A 370 27.111 1.251 12.150 1.00 0.00 H new ATOM 0 HD21 LEU A 370 28.729 3.870 12.239 1.00 0.00 H new ATOM 0 HD22 LEU A 370 28.043 3.176 10.751 1.00 0.00 H new ATOM 0 HD23 LEU A 370 27.643 4.845 11.220 1.00 0.00 H new ATOM 869 N THR A 371 23.296 5.371 12.172 1.00 0.00 N ATOM 870 CA THR A 371 22.907 6.676 12.677 1.00 0.00 C ATOM 871 C THR A 371 21.664 6.564 13.554 1.00 0.00 C ATOM 872 O THR A 371 20.696 5.891 13.187 1.00 0.00 O ATOM 873 CB THR A 371 22.612 7.645 11.512 1.00 0.00 C ATOM 874 OG1 THR A 371 23.591 7.477 10.476 1.00 0.00 O ATOM 875 CG2 THR A 371 22.622 9.091 11.991 1.00 0.00 C ATOM 0 H THR A 371 23.212 5.279 11.160 1.00 0.00 H new ATOM 0 HA THR A 371 23.736 7.063 13.269 1.00 0.00 H new ATOM 0 HB THR A 371 21.621 7.415 11.121 1.00 0.00 H new ATOM 0 HG1 THR A 371 23.397 8.094 9.739 1.00 0.00 H new ATOM 0 HG21 THR A 371 22.412 9.754 11.152 1.00 0.00 H new ATOM 0 HG22 THR A 371 21.860 9.225 12.759 1.00 0.00 H new ATOM 0 HG23 THR A 371 23.601 9.330 12.406 1.00 0.00 H new ATOM 883 N GLY A 372 21.706 7.204 14.714 1.00 0.00 N ATOM 884 CA GLY A 372 20.567 7.202 15.608 1.00 0.00 C ATOM 885 C GLY A 372 20.976 6.932 17.039 1.00 0.00 C ATOM 886 O GLY A 372 20.588 7.657 17.951 1.00 0.00 O ATOM 0 H GLY A 372 22.513 7.727 15.053 1.00 0.00 H new ATOM 0 HA2 GLY A 372 20.058 8.164 15.551 1.00 0.00 H new ATOM 0 HA3 GLY A 372 19.853 6.444 15.285 1.00 0.00 H new ATOM 890 N GLY A 373 21.777 5.895 17.227 1.00 0.00 N ATOM 891 CA GLY A 373 22.227 5.527 18.555 1.00 0.00 C ATOM 892 C GLY A 373 23.063 4.271 18.527 1.00 0.00 C ATOM 893 O GLY A 373 22.637 3.216 19.000 1.00 0.00 O ATOM 0 H GLY A 373 22.126 5.297 16.478 1.00 0.00 H new ATOM 0 HA2 GLY A 373 22.809 6.343 18.982 1.00 0.00 H new ATOM 0 HA3 GLY A 373 21.364 5.377 19.204 1.00 0.00 H new ATOM 897 N GLY A 374 24.249 4.378 17.951 1.00 0.00 N ATOM 898 CA GLY A 374 25.109 3.227 17.806 1.00 0.00 C ATOM 899 C GLY A 374 24.806 2.466 16.534 1.00 0.00 C ATOM 900 O GLY A 374 25.531 2.578 15.552 1.00 0.00 O ATOM 0 H GLY A 374 24.632 5.247 17.580 1.00 0.00 H new ATOM 0 HA2 GLY A 374 26.151 3.548 17.800 1.00 0.00 H new ATOM 0 HA3 GLY A 374 24.984 2.567 18.665 1.00 0.00 H new ATOM 904 N THR A 375 23.743 1.679 16.562 1.00 0.00 N ATOM 905 CA THR A 375 23.298 0.928 15.398 1.00 0.00 C ATOM 906 C THR A 375 21.771 0.882 15.364 1.00 0.00 C ATOM 907 O THR A 375 21.126 0.863 16.414 1.00 0.00 O ATOM 908 CB THR A 375 23.876 -0.502 15.421 1.00 0.00 C ATOM 909 OG1 THR A 375 25.308 -0.440 15.438 1.00 0.00 O ATOM 910 CG2 THR A 375 23.416 -1.318 14.224 1.00 0.00 C ATOM 0 H THR A 375 23.164 1.542 17.391 1.00 0.00 H new ATOM 0 HA THR A 375 23.659 1.428 14.499 1.00 0.00 H new ATOM 0 HB THR A 375 23.510 -0.996 16.321 1.00 0.00 H new ATOM 0 HG1 THR A 375 25.675 -1.349 15.454 1.00 0.00 H new ATOM 0 HG21 THR A 375 23.846 -2.318 14.279 1.00 0.00 H new ATOM 0 HG22 THR A 375 22.328 -1.389 14.229 1.00 0.00 H new ATOM 0 HG23 THR A 375 23.744 -0.832 13.305 1.00 0.00 H new ATOM 918 N THR A 376 21.194 0.861 14.167 1.00 0.00 N ATOM 919 CA THR A 376 19.761 0.878 14.009 1.00 0.00 C ATOM 920 C THR A 376 19.375 -0.070 12.888 1.00 0.00 C ATOM 921 O THR A 376 19.834 0.050 11.761 1.00 0.00 O ATOM 922 CB THR A 376 19.235 2.304 13.710 1.00 0.00 C ATOM 923 OG1 THR A 376 19.792 2.806 12.499 1.00 0.00 O ATOM 924 CG2 THR A 376 19.614 3.252 14.817 1.00 0.00 C ATOM 0 H THR A 376 21.712 0.832 13.289 1.00 0.00 H new ATOM 0 HA THR A 376 19.305 0.554 14.945 1.00 0.00 H new ATOM 0 HB THR A 376 18.151 2.236 13.624 1.00 0.00 H new ATOM 0 HG1 THR A 376 20.099 3.726 12.637 1.00 0.00 H new ATOM 0 HG21 THR A 376 19.236 4.248 14.588 1.00 0.00 H new ATOM 0 HG22 THR A 376 19.182 2.906 15.756 1.00 0.00 H new ATOM 0 HG23 THR A 376 20.699 3.289 14.909 1.00 0.00 H new ATOM 932 N PHE A 377 18.566 -1.036 13.218 1.00 0.00 N ATOM 933 CA PHE A 377 18.131 -2.022 12.248 1.00 0.00 C ATOM 934 C PHE A 377 16.729 -1.699 11.732 1.00 0.00 C ATOM 935 O PHE A 377 15.785 -1.553 12.515 1.00 0.00 O ATOM 936 CB PHE A 377 18.181 -3.417 12.877 1.00 0.00 C ATOM 937 CG PHE A 377 17.479 -4.463 12.070 1.00 0.00 C ATOM 938 CD1 PHE A 377 18.122 -5.113 11.032 1.00 0.00 C ATOM 939 CD2 PHE A 377 16.170 -4.791 12.356 1.00 0.00 C ATOM 940 CE1 PHE A 377 17.467 -6.077 10.291 1.00 0.00 C ATOM 941 CE2 PHE A 377 15.504 -5.753 11.622 1.00 0.00 C ATOM 942 CZ PHE A 377 16.154 -6.398 10.588 1.00 0.00 C ATOM 0 H PHE A 377 18.188 -1.169 14.156 1.00 0.00 H new ATOM 0 HA PHE A 377 18.805 -1.999 11.392 1.00 0.00 H new ATOM 0 HB2 PHE A 377 19.223 -3.710 13.009 1.00 0.00 H new ATOM 0 HB3 PHE A 377 17.734 -3.375 13.870 1.00 0.00 H new ATOM 0 HD1 PHE A 377 19.147 -4.864 10.799 1.00 0.00 H new ATOM 0 HD2 PHE A 377 15.659 -4.289 13.164 1.00 0.00 H new ATOM 0 HE1 PHE A 377 17.978 -6.579 9.482 1.00 0.00 H new ATOM 0 HE2 PHE A 377 14.479 -6.000 11.856 1.00 0.00 H new ATOM 0 HZ PHE A 377 15.638 -7.152 10.012 1.00 0.00 H new ATOM 952 N SER A 378 16.604 -1.580 10.415 1.00 0.00 N ATOM 953 CA SER A 378 15.324 -1.305 9.784 1.00 0.00 C ATOM 954 C SER A 378 15.091 -2.276 8.632 1.00 0.00 C ATOM 955 O SER A 378 16.025 -2.948 8.183 1.00 0.00 O ATOM 956 CB SER A 378 15.291 0.136 9.266 1.00 0.00 C ATOM 957 OG SER A 378 15.714 1.054 10.260 1.00 0.00 O ATOM 0 H SER A 378 17.382 -1.671 9.761 1.00 0.00 H new ATOM 0 HA SER A 378 14.533 -1.433 10.523 1.00 0.00 H new ATOM 0 HB2 SER A 378 15.934 0.224 8.390 1.00 0.00 H new ATOM 0 HB3 SER A 378 14.280 0.386 8.945 1.00 0.00 H new ATOM 0 HG SER A 378 16.368 1.675 9.875 1.00 0.00 H new ATOM 963 N VAL A 379 13.856 -2.366 8.159 1.00 0.00 N ATOM 964 CA VAL A 379 13.562 -3.170 6.985 1.00 0.00 C ATOM 965 C VAL A 379 13.146 -2.269 5.828 1.00 0.00 C ATOM 966 O VAL A 379 12.395 -1.309 6.006 1.00 0.00 O ATOM 967 CB VAL A 379 12.449 -4.207 7.237 1.00 0.00 C ATOM 968 CG1 VAL A 379 12.371 -5.206 6.091 1.00 0.00 C ATOM 969 CG2 VAL A 379 12.662 -4.924 8.563 1.00 0.00 C ATOM 0 H VAL A 379 13.048 -1.896 8.567 1.00 0.00 H new ATOM 0 HA VAL A 379 14.475 -3.714 6.740 1.00 0.00 H new ATOM 0 HB VAL A 379 11.500 -3.674 7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 379 11.579 -5.928 6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 379 12.155 -4.678 5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 379 13.323 -5.729 5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 379 11.863 -5.650 8.717 1.00 0.00 H new ATOM 0 HG22 VAL A 379 13.623 -5.439 8.548 1.00 0.00 H new ATOM 0 HG23 VAL A 379 12.653 -4.197 9.375 1.00 0.00 H new ATOM 979 N ARG A 380 13.647 -2.591 4.657 1.00 0.00 N ATOM 980 CA ARG A 380 13.387 -1.820 3.453 1.00 0.00 C ATOM 981 C ARG A 380 12.590 -2.662 2.466 1.00 0.00 C ATOM 982 O ARG A 380 13.131 -3.558 1.818 1.00 0.00 O ATOM 983 CB ARG A 380 14.713 -1.381 2.827 1.00 0.00 C ATOM 984 CG ARG A 380 14.577 -0.718 1.467 1.00 0.00 C ATOM 985 CD ARG A 380 15.943 -0.467 0.853 1.00 0.00 C ATOM 986 NE ARG A 380 15.856 0.067 -0.506 1.00 0.00 N ATOM 987 CZ ARG A 380 16.543 1.123 -0.942 1.00 0.00 C ATOM 988 NH1 ARG A 380 17.254 1.862 -0.098 1.00 0.00 N ATOM 989 NH2 ARG A 380 16.499 1.451 -2.226 1.00 0.00 N ATOM 0 H ARG A 380 14.251 -3.400 4.508 1.00 0.00 H new ATOM 0 HA ARG A 380 12.806 -0.933 3.707 1.00 0.00 H new ATOM 0 HB2 ARG A 380 15.210 -0.689 3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 380 15.361 -2.252 2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 380 13.986 -1.352 0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 380 14.040 0.225 1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 380 16.497 0.232 1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 380 16.508 -1.399 0.838 1.00 0.00 H new ATOM 0 HE ARG A 380 15.229 -0.399 -1.162 1.00 0.00 H new ATOM 0 HH11 ARG A 380 17.278 1.623 0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 380 17.776 2.668 -0.441 1.00 0.00 H new ATOM 0 HH21 ARG A 380 15.941 0.896 -2.875 1.00 0.00 H new ATOM 0 HH22 ARG A 380 17.023 2.258 -2.564 1.00 0.00 H new ATOM 1003 N LYS A 381 11.303 -2.394 2.369 1.00 0.00 N ATOM 1004 CA LYS A 381 10.449 -3.169 1.488 1.00 0.00 C ATOM 1005 C LYS A 381 10.567 -2.682 0.053 1.00 0.00 C ATOM 1006 O LYS A 381 10.601 -1.481 -0.213 1.00 0.00 O ATOM 1007 CB LYS A 381 8.995 -3.106 1.950 1.00 0.00 C ATOM 1008 CG LYS A 381 8.752 -3.744 3.308 1.00 0.00 C ATOM 1009 CD LYS A 381 7.296 -3.603 3.724 1.00 0.00 C ATOM 1010 CE LYS A 381 7.046 -4.173 5.109 1.00 0.00 C ATOM 1011 NZ LYS A 381 5.629 -4.006 5.527 1.00 0.00 N ATOM 0 H LYS A 381 10.828 -1.653 2.884 1.00 0.00 H new ATOM 0 HA LYS A 381 10.780 -4.207 1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 381 8.681 -2.063 1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 381 8.367 -3.601 1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 381 9.023 -4.799 3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 381 9.394 -3.276 4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 381 7.014 -2.550 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 381 6.660 -4.114 3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 381 7.306 -5.232 5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 381 7.698 -3.678 5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 5.498 -4.407 6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 5.388 -2.994 5.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 5.008 -4.499 4.854 1.00 0.00 H new ATOM 1025 N THR A 382 10.650 -3.626 -0.864 1.00 0.00 N ATOM 1026 CA THR A 382 10.749 -3.327 -2.277 1.00 0.00 C ATOM 1027 C THR A 382 9.795 -4.218 -3.060 1.00 0.00 C ATOM 1028 O THR A 382 10.020 -5.418 -3.189 1.00 0.00 O ATOM 1029 CB THR A 382 12.193 -3.551 -2.770 1.00 0.00 C ATOM 1030 OG1 THR A 382 13.094 -2.753 -1.993 1.00 0.00 O ATOM 1031 CG2 THR A 382 12.339 -3.202 -4.244 1.00 0.00 C ATOM 0 H THR A 382 10.651 -4.623 -0.649 1.00 0.00 H new ATOM 0 HA THR A 382 10.480 -2.283 -2.435 1.00 0.00 H new ATOM 0 HB THR A 382 12.433 -4.607 -2.649 1.00 0.00 H new ATOM 0 HG1 THR A 382 14.011 -2.897 -2.306 1.00 0.00 H new ATOM 0 HG21 THR A 382 13.369 -3.372 -4.558 1.00 0.00 H new ATOM 0 HG22 THR A 382 11.672 -3.830 -4.834 1.00 0.00 H new ATOM 0 HG23 THR A 382 12.081 -2.154 -4.397 1.00 0.00 H new ATOM 1039 N ALA A 383 8.730 -3.636 -3.582 1.00 0.00 N ATOM 1040 CA ALA A 383 7.722 -4.410 -4.286 1.00 0.00 C ATOM 1041 C ALA A 383 7.689 -4.044 -5.761 1.00 0.00 C ATOM 1042 O ALA A 383 8.030 -2.923 -6.146 1.00 0.00 O ATOM 1043 CB ALA A 383 6.355 -4.204 -3.649 1.00 0.00 C ATOM 0 H ALA A 383 8.541 -2.635 -3.533 1.00 0.00 H new ATOM 0 HA ALA A 383 7.984 -5.465 -4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.611 -4.790 -4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 383 6.386 -4.526 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 383 6.088 -3.148 -3.695 1.00 0.00 H new ATOM 1049 N TYR A 384 7.291 -4.997 -6.585 1.00 0.00 N ATOM 1050 CA TYR A 384 7.191 -4.769 -8.011 1.00 0.00 C ATOM 1051 C TYR A 384 5.783 -5.090 -8.496 1.00 0.00 C ATOM 1052 O TYR A 384 5.235 -6.141 -8.176 1.00 0.00 O ATOM 1053 CB TYR A 384 8.235 -5.599 -8.769 1.00 0.00 C ATOM 1054 CG TYR A 384 9.667 -5.225 -8.447 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.133 -3.925 -8.627 1.00 0.00 C ATOM 1056 CD2 TYR A 384 10.558 -6.175 -7.967 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.440 -3.590 -8.337 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.868 -5.847 -7.675 1.00 0.00 C ATOM 1059 CZ TYR A 384 12.305 -4.553 -7.863 1.00 0.00 C ATOM 1060 OH TYR A 384 13.608 -4.217 -7.577 1.00 0.00 O ATOM 0 H TYR A 384 7.032 -5.938 -6.288 1.00 0.00 H new ATOM 0 HA TYR A 384 7.393 -3.717 -8.211 1.00 0.00 H new ATOM 0 HB2 TYR A 384 8.084 -6.653 -8.538 1.00 0.00 H new ATOM 0 HB3 TYR A 384 8.071 -5.481 -9.840 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.460 -3.167 -9.000 1.00 0.00 H new ATOM 0 HD2 TYR A 384 10.221 -7.190 -7.819 1.00 0.00 H new ATOM 0 HE1 TYR A 384 11.784 -2.576 -8.481 1.00 0.00 H new ATOM 0 HE2 TYR A 384 12.546 -6.600 -7.302 1.00 0.00 H new ATOM 0 HH TYR A 384 14.086 -5.008 -7.252 1.00 0.00 H new ATOM 1070 N CYS A 385 5.212 -4.164 -9.265 1.00 0.00 N ATOM 1071 CA CYS A 385 3.835 -4.303 -9.765 1.00 0.00 C ATOM 1072 C CYS A 385 3.669 -5.514 -10.700 1.00 0.00 C ATOM 1073 O CYS A 385 4.647 -6.159 -11.083 1.00 0.00 O ATOM 1074 CB CYS A 385 3.409 -3.017 -10.491 1.00 0.00 C ATOM 1075 SG CYS A 385 4.571 -2.427 -11.762 1.00 0.00 S ATOM 0 H CYS A 385 5.679 -3.306 -9.559 1.00 0.00 H new ATOM 0 HA CYS A 385 3.192 -4.471 -8.901 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.439 -3.186 -10.958 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.273 -2.228 -9.751 1.00 0.00 H new ATOM 1080 N ASP A 386 2.413 -5.808 -11.051 1.00 0.00 N ATOM 1081 CA ASP A 386 2.082 -6.949 -11.918 1.00 0.00 C ATOM 1082 C ASP A 386 2.818 -6.859 -13.244 1.00 0.00 C ATOM 1083 O ASP A 386 3.432 -7.819 -13.707 1.00 0.00 O ATOM 1084 CB ASP A 386 0.582 -6.975 -12.221 1.00 0.00 C ATOM 1085 CG ASP A 386 -0.287 -6.980 -10.989 1.00 0.00 C ATOM 1086 OD1 ASP A 386 -0.351 -5.946 -10.292 1.00 0.00 O ATOM 1087 OD2 ASP A 386 -0.937 -8.015 -10.738 1.00 0.00 O ATOM 0 H ASP A 386 1.602 -5.269 -10.747 1.00 0.00 H new ATOM 0 HA ASP A 386 2.381 -7.852 -11.386 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.329 -6.107 -12.830 1.00 0.00 H new ATOM 0 HB3 ASP A 386 0.356 -7.859 -12.817 1.00 0.00 H new ATOM 1092 N VAL A 387 2.764 -5.682 -13.836 1.00 0.00 N ATOM 1093 CA VAL A 387 3.427 -5.403 -15.102 1.00 0.00 C ATOM 1094 C VAL A 387 4.854 -4.916 -14.839 1.00 0.00 C ATOM 1095 O VAL A 387 5.406 -4.067 -15.535 1.00 0.00 O ATOM 1096 CB VAL A 387 2.596 -4.393 -15.936 1.00 0.00 C ATOM 1097 CG1 VAL A 387 2.383 -3.092 -15.174 1.00 0.00 C ATOM 1098 CG2 VAL A 387 3.204 -4.124 -17.307 1.00 0.00 C ATOM 0 H VAL A 387 2.256 -4.885 -13.452 1.00 0.00 H new ATOM 0 HA VAL A 387 3.496 -6.316 -15.693 1.00 0.00 H new ATOM 0 HB VAL A 387 1.624 -4.857 -16.105 1.00 0.00 H new ATOM 0 HG11 VAL A 387 1.797 -2.405 -15.784 1.00 0.00 H new ATOM 0 HG12 VAL A 387 1.850 -3.297 -14.246 1.00 0.00 H new ATOM 0 HG13 VAL A 387 3.349 -2.642 -14.946 1.00 0.00 H new ATOM 0 HG21 VAL A 387 2.582 -3.411 -17.847 1.00 0.00 H new ATOM 0 HG22 VAL A 387 4.206 -3.713 -17.186 1.00 0.00 H new ATOM 0 HG23 VAL A 387 3.260 -5.056 -17.870 1.00 0.00 H new ATOM 1108 N HIS A 388 5.439 -5.443 -13.781 1.00 0.00 N ATOM 1109 CA HIS A 388 6.809 -5.123 -13.448 1.00 0.00 C ATOM 1110 C HIS A 388 7.668 -6.379 -13.439 1.00 0.00 C ATOM 1111 O HIS A 388 8.892 -6.295 -13.396 1.00 0.00 O ATOM 1112 CB HIS A 388 6.864 -4.453 -12.089 1.00 0.00 C ATOM 1113 CG HIS A 388 7.977 -3.484 -11.939 1.00 0.00 C ATOM 1114 ND1 HIS A 388 7.771 -2.129 -11.707 1.00 0.00 N ATOM 1115 CD2 HIS A 388 9.315 -3.671 -11.963 1.00 0.00 C ATOM 1116 CE1 HIS A 388 8.960 -1.546 -11.596 1.00 0.00 C ATOM 1117 NE2 HIS A 388 9.900 -2.458 -11.748 1.00 0.00 N ATOM 0 H HIS A 388 4.986 -6.094 -13.139 1.00 0.00 H new ATOM 0 HA HIS A 388 7.199 -4.442 -14.204 1.00 0.00 H new ATOM 0 HB2 HIS A 388 5.920 -3.937 -11.911 1.00 0.00 H new ATOM 0 HB3 HIS A 388 6.958 -5.220 -11.320 1.00 0.00 H new ATOM 0 HD2 HIS A 388 9.827 -4.608 -12.123 1.00 0.00 H new ATOM 0 HE1 HIS A 388 9.129 -0.495 -11.411 1.00 0.00 H new ATOM 0 HE2 HIS A 388 10.904 -2.284 -11.711 1.00 0.00 H new ATOM 1125 N THR A 389 7.028 -7.537 -13.456 1.00 0.00 N ATOM 1126 CA THR A 389 7.764 -8.788 -13.488 1.00 0.00 C ATOM 1127 C THR A 389 8.238 -9.098 -14.915 1.00 0.00 C ATOM 1128 O THR A 389 9.432 -9.314 -15.130 1.00 0.00 O ATOM 1129 CB THR A 389 6.927 -9.956 -12.929 1.00 0.00 C ATOM 1130 OG1 THR A 389 5.743 -9.442 -12.302 1.00 0.00 O ATOM 1131 CG2 THR A 389 7.730 -10.754 -11.912 1.00 0.00 C ATOM 0 H THR A 389 6.013 -7.636 -13.448 1.00 0.00 H new ATOM 0 HA THR A 389 8.637 -8.673 -12.846 1.00 0.00 H new ATOM 0 HB THR A 389 6.654 -10.613 -13.755 1.00 0.00 H new ATOM 0 HG1 THR A 389 5.211 -10.185 -11.949 1.00 0.00 H new ATOM 0 HG21 THR A 389 7.121 -11.573 -11.530 1.00 0.00 H new ATOM 0 HG22 THR A 389 8.623 -11.157 -12.389 1.00 0.00 H new ATOM 0 HG23 THR A 389 8.022 -10.104 -11.087 1.00 0.00 H new ATOM 1139 N PRO A 390 7.325 -9.134 -15.919 1.00 0.00 N ATOM 1140 CA PRO A 390 7.729 -9.264 -17.321 1.00 0.00 C ATOM 1141 C PRO A 390 8.476 -8.023 -17.847 1.00 0.00 C ATOM 1142 O PRO A 390 9.579 -8.164 -18.381 1.00 0.00 O ATOM 1143 CB PRO A 390 6.416 -9.515 -18.083 1.00 0.00 C ATOM 1144 CG PRO A 390 5.399 -9.816 -17.031 1.00 0.00 C ATOM 1145 CD PRO A 390 5.859 -9.117 -15.783 1.00 0.00 C ATOM 0 HA PRO A 390 8.444 -10.075 -17.455 1.00 0.00 H new ATOM 0 HB2 PRO A 390 6.129 -8.642 -18.669 1.00 0.00 H new ATOM 0 HB3 PRO A 390 6.519 -10.347 -18.780 1.00 0.00 H new ATOM 0 HG2 PRO A 390 4.413 -9.463 -17.332 1.00 0.00 H new ATOM 0 HG3 PRO A 390 5.317 -10.890 -16.866 1.00 0.00 H new ATOM 0 HD2 PRO A 390 5.470 -8.100 -15.723 1.00 0.00 H new ATOM 0 HD3 PRO A 390 5.530 -9.638 -14.884 1.00 0.00 H new ATOM 1153 N PRO A 391 7.926 -6.780 -17.735 1.00 0.00 N ATOM 1154 CA PRO A 391 8.693 -5.573 -18.060 1.00 0.00 C ATOM 1155 C PRO A 391 9.648 -5.205 -16.925 1.00 0.00 C ATOM 1156 O PRO A 391 10.072 -6.071 -16.160 1.00 0.00 O ATOM 1157 CB PRO A 391 7.618 -4.489 -18.251 1.00 0.00 C ATOM 1158 CG PRO A 391 6.321 -5.220 -18.220 1.00 0.00 C ATOM 1159 CD PRO A 391 6.557 -6.406 -17.341 1.00 0.00 C ATOM 0 HA PRO A 391 9.320 -5.701 -18.942 1.00 0.00 H new ATOM 0 HB2 PRO A 391 7.668 -3.741 -17.460 1.00 0.00 H new ATOM 0 HB3 PRO A 391 7.752 -3.963 -19.196 1.00 0.00 H new ATOM 0 HG2 PRO A 391 5.524 -4.590 -17.825 1.00 0.00 H new ATOM 0 HG3 PRO A 391 6.018 -5.527 -19.221 1.00 0.00 H new ATOM 0 HD2 PRO A 391 6.486 -6.155 -16.283 1.00 0.00 H new ATOM 0 HD3 PRO A 391 5.841 -7.206 -17.527 1.00 0.00 H new ATOM 1167 N GLY A 392 9.997 -3.929 -16.815 1.00 0.00 N ATOM 1168 CA GLY A 392 10.965 -3.518 -15.814 1.00 0.00 C ATOM 1169 C GLY A 392 12.369 -3.856 -16.262 1.00 0.00 C ATOM 1170 O GLY A 392 13.144 -2.973 -16.618 1.00 0.00 O ATOM 0 H GLY A 392 9.630 -3.175 -17.396 1.00 0.00 H new ATOM 0 HA2 GLY A 392 10.882 -2.445 -15.638 1.00 0.00 H new ATOM 0 HA3 GLY A 392 10.750 -4.014 -14.867 1.00 0.00 H new ATOM 1174 N SER A 393 12.687 -5.142 -16.253 1.00 0.00 N ATOM 1175 CA SER A 393 13.896 -5.629 -16.888 1.00 0.00 C ATOM 1176 C SER A 393 13.643 -5.723 -18.389 1.00 0.00 C ATOM 1177 O SER A 393 14.478 -5.327 -19.201 1.00 0.00 O ATOM 1178 CB SER A 393 14.282 -6.996 -16.318 1.00 0.00 C ATOM 1179 OG SER A 393 14.478 -6.923 -14.912 1.00 0.00 O ATOM 0 H SER A 393 12.121 -5.866 -15.811 1.00 0.00 H new ATOM 0 HA SER A 393 14.722 -4.945 -16.696 1.00 0.00 H new ATOM 0 HB2 SER A 393 13.501 -7.722 -16.543 1.00 0.00 H new ATOM 0 HB3 SER A 393 15.194 -7.350 -16.798 1.00 0.00 H new ATOM 0 HG SER A 393 14.722 -7.808 -14.569 1.00 0.00 H new ATOM 1185 N THR A 394 12.451 -6.224 -18.729 1.00 0.00 N ATOM 1186 CA THR A 394 11.978 -6.273 -20.106 1.00 0.00 C ATOM 1187 C THR A 394 12.920 -7.103 -20.982 1.00 0.00 C ATOM 1188 O THR A 394 12.838 -8.347 -20.923 1.00 0.00 O ATOM 1189 CB THR A 394 11.832 -4.849 -20.686 1.00 0.00 C ATOM 1190 OG1 THR A 394 11.224 -3.987 -19.711 1.00 0.00 O ATOM 1191 CG2 THR A 394 10.980 -4.854 -21.946 1.00 0.00 C ATOM 1192 OXT THR A 394 13.734 -6.509 -21.718 1.00 0.00 O ATOM 0 H THR A 394 11.790 -6.606 -18.052 1.00 0.00 H new ATOM 0 HA THR A 394 10.999 -6.752 -20.103 1.00 0.00 H new ATOM 0 HB THR A 394 12.828 -4.485 -20.939 1.00 0.00 H new ATOM 0 HG1 THR A 394 11.135 -3.085 -20.082 1.00 0.00 H new ATOM 0 HG21 THR A 394 10.895 -3.838 -22.332 1.00 0.00 H new ATOM 0 HG22 THR A 394 11.447 -5.490 -22.698 1.00 0.00 H new ATOM 0 HG23 THR A 394 9.987 -5.238 -21.712 1.00 0.00 H new TER 1200 THR A 394 HETATM 1201 ZN ZN A 401 -6.780 -0.896 -6.516 1.00 0.00 ZN HETATM 1202 ZN ZN A 402 6.048 -0.707 -11.820 1.00 0.00 ZN