USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 422 CYS SG : rot -150:sc= 0.0367 USER MOD Set 1.2: A 425 CYS SG : rot -120:sc= 0.327 USER MOD Set 1.3: A 438 HIS : no HE2:sc= -3.86! C(o=-4.8!,f=-5.8!) USER MOD Set 1.4: A 443 HIS : no HE2:sc= -1.26 K(o=-4.8,f=-5.7) USER MOD Set 2.1: A 392 CYS SG : rot -149:sc= -0.254 USER MOD Set 2.2: A 395 CYS SG : rot 138:sc= 0.304 USER MOD Set 2.3: A 408 HIS : no HE2:sc= -0.0241 K(o=-0.37,f=-1) USER MOD Set 2.4: A 412 HIS : no HD1:sc= -0.398 K(o=-0.37,f=-1.3) USER MOD Set 3.1: A 364 CYS SG : rot -149:sc= -1.06 USER MOD Set 3.2: A 367 CYS SG : rot 180:sc= -0.157 USER MOD Set 3.3: A 380 HIS : no HD1:sc= 0.0635 K(o=-1.2,f=-3) USER MOD Single : A 369 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 HIS : no HD1:sc= -0.0366 X(o=-0.037,f=-0.15) USER MOD Single : A 378 ASN : amide:sc= -0.018 X(o=-0.018,f=-0.22) USER MOD Single : A 381 LYS NZ :NH3+ -144:sc= -0.0196 (180deg=-1.49) USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 TYR OH : rot 180:sc= 0 USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 MET CE :methyl -129:sc= -1.88 (180deg=-4.78!) USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 SER OG : rot 180:sc= 0 USER MOD Single : A 418 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 GLN : amide:sc=-0.00857 X(o=-0.0086,f=0) USER MOD Single : A 424 SER OG : rot 180:sc= 0 USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 SER OG : rot 180:sc= 0.0831 USER MOD Single : A 434 HIS : no HD1:sc= -0.462 X(o=-0.46,f=-0.027) USER MOD Single : A 436 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.0064) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 362 -12.335 -21.574 -19.577 1.00 0.00 N ATOM 67 CA VAL A 362 -11.189 -21.019 -18.867 1.00 0.00 C ATOM 68 C VAL A 362 -11.630 -19.994 -17.828 1.00 0.00 C ATOM 69 O VAL A 362 -12.543 -19.205 -18.069 1.00 0.00 O ATOM 70 CB VAL A 362 -10.195 -20.354 -19.838 1.00 0.00 C ATOM 71 CG1 VAL A 362 -10.877 -19.244 -20.623 1.00 0.00 C ATOM 72 CG2 VAL A 362 -8.988 -19.820 -19.082 1.00 0.00 C ATOM 0 HA VAL A 362 -10.694 -21.851 -18.366 1.00 0.00 H new ATOM 0 HB VAL A 362 -9.847 -21.106 -20.546 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -10.159 -18.786 -21.304 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -11.706 -19.660 -21.196 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -11.255 -18.490 -19.933 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -8.296 -19.354 -19.784 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -9.315 -19.082 -18.350 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -8.487 -20.641 -18.570 1.00 0.00 H new ATOM 82 N ALA A 363 -10.974 -20.011 -16.672 1.00 0.00 N ATOM 83 CA ALA A 363 -11.297 -19.081 -15.597 1.00 0.00 C ATOM 84 C ALA A 363 -10.307 -17.922 -15.558 1.00 0.00 C ATOM 85 O ALA A 363 -9.108 -18.122 -15.361 1.00 0.00 O ATOM 86 CB ALA A 363 -11.315 -19.807 -14.260 1.00 0.00 C ATOM 0 H ALA A 363 -10.216 -20.658 -16.456 1.00 0.00 H new ATOM 0 HA ALA A 363 -12.289 -18.671 -15.790 1.00 0.00 H new ATOM 0 HB1 ALA A 363 -11.557 -19.101 -13.466 1.00 0.00 H new ATOM 0 HB2 ALA A 363 -12.066 -20.597 -14.285 1.00 0.00 H new ATOM 0 HB3 ALA A 363 -10.335 -20.244 -14.070 1.00 0.00 H new ATOM 92 N CYS A 364 -10.815 -16.709 -15.749 1.00 0.00 N ATOM 93 CA CYS A 364 -9.976 -15.517 -15.738 1.00 0.00 C ATOM 94 C CYS A 364 -9.128 -15.461 -14.470 1.00 0.00 C ATOM 95 O CYS A 364 -9.627 -15.685 -13.368 1.00 0.00 O ATOM 96 CB CYS A 364 -10.841 -14.259 -15.842 1.00 0.00 C ATOM 97 SG CYS A 364 -9.916 -12.759 -16.305 1.00 0.00 S ATOM 0 H CYS A 364 -11.805 -16.526 -15.913 1.00 0.00 H new ATOM 0 HA CYS A 364 -9.309 -15.564 -16.599 1.00 0.00 H new ATOM 0 HB2 CYS A 364 -11.626 -14.431 -16.578 1.00 0.00 H new ATOM 0 HB3 CYS A 364 -11.333 -14.089 -14.884 1.00 0.00 H new ATOM 0 HG CYS A 364 -10.485 -11.717 -15.775 1.00 0.00 H new ATOM 102 N GLU A 365 -7.844 -15.161 -14.637 1.00 0.00 N ATOM 103 CA GLU A 365 -6.927 -15.076 -13.506 1.00 0.00 C ATOM 104 C GLU A 365 -6.760 -13.630 -13.049 1.00 0.00 C ATOM 105 O GLU A 365 -5.727 -13.261 -12.489 1.00 0.00 O ATOM 106 CB GLU A 365 -5.565 -15.666 -13.880 1.00 0.00 C ATOM 107 CG GLU A 365 -4.792 -14.823 -14.880 1.00 0.00 C ATOM 108 CD GLU A 365 -4.135 -15.658 -15.963 1.00 0.00 C ATOM 109 OE1 GLU A 365 -3.599 -16.738 -15.635 1.00 0.00 O ATOM 110 OE2 GLU A 365 -4.158 -15.233 -17.136 1.00 0.00 O ATOM 0 H GLU A 365 -7.415 -14.973 -15.543 1.00 0.00 H new ATOM 0 HA GLU A 365 -7.350 -15.652 -12.683 1.00 0.00 H new ATOM 0 HB2 GLU A 365 -4.967 -15.781 -12.976 1.00 0.00 H new ATOM 0 HB3 GLU A 365 -5.712 -16.663 -14.295 1.00 0.00 H new ATOM 0 HG2 GLU A 365 -5.468 -14.103 -15.341 1.00 0.00 H new ATOM 0 HG3 GLU A 365 -4.028 -14.251 -14.354 1.00 0.00 H new ATOM 117 N ILE A 366 -7.782 -12.817 -13.291 1.00 0.00 N ATOM 118 CA ILE A 366 -7.748 -11.412 -12.904 1.00 0.00 C ATOM 119 C ILE A 366 -8.971 -11.042 -12.072 1.00 0.00 C ATOM 120 O ILE A 366 -8.875 -10.272 -11.115 1.00 0.00 O ATOM 121 CB ILE A 366 -7.682 -10.490 -14.136 1.00 0.00 C ATOM 122 CG1 ILE A 366 -6.445 -10.815 -14.977 1.00 0.00 C ATOM 123 CG2 ILE A 366 -7.668 -9.031 -13.705 1.00 0.00 C ATOM 124 CD1 ILE A 366 -6.772 -11.414 -16.327 1.00 0.00 C ATOM 0 H ILE A 366 -8.644 -13.107 -13.753 1.00 0.00 H new ATOM 0 HA ILE A 366 -6.848 -11.271 -12.306 1.00 0.00 H new ATOM 0 HB ILE A 366 -8.569 -10.659 -14.747 1.00 0.00 H new ATOM 0 HG12 ILE A 366 -5.866 -9.903 -15.124 1.00 0.00 H new ATOM 0 HG13 ILE A 366 -5.812 -11.509 -14.424 1.00 0.00 H new ATOM 0 HG21 ILE A 366 -7.621 -8.392 -14.587 1.00 0.00 H new ATOM 0 HG22 ILE A 366 -8.575 -8.809 -13.143 1.00 0.00 H new ATOM 0 HG23 ILE A 366 -6.797 -8.846 -13.076 1.00 0.00 H new ATOM 0 HD11 ILE A 366 -5.848 -11.619 -16.868 1.00 0.00 H new ATOM 0 HD12 ILE A 366 -7.325 -12.343 -16.189 1.00 0.00 H new ATOM 0 HD13 ILE A 366 -7.379 -10.712 -16.899 1.00 0.00 H new ATOM 136 N CYS A 367 -10.121 -11.597 -12.440 1.00 0.00 N ATOM 137 CA CYS A 367 -11.364 -11.327 -11.728 1.00 0.00 C ATOM 138 C CYS A 367 -11.958 -12.614 -11.164 1.00 0.00 C ATOM 139 O CYS A 367 -12.545 -12.618 -10.083 1.00 0.00 O ATOM 140 CB CYS A 367 -12.373 -10.651 -12.658 1.00 0.00 C ATOM 141 SG CYS A 367 -12.610 -11.509 -14.247 1.00 0.00 S ATOM 0 H CYS A 367 -10.218 -12.237 -13.228 1.00 0.00 H new ATOM 0 HA CYS A 367 -11.140 -10.657 -10.898 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -13.333 -10.583 -12.147 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -12.044 -9.631 -12.854 1.00 0.00 H new ATOM 0 HG CYS A 367 -13.482 -10.863 -14.963 1.00 0.00 H new ATOM 146 N GLY A 368 -11.800 -13.707 -11.905 1.00 0.00 N ATOM 147 CA GLY A 368 -12.325 -14.985 -11.463 1.00 0.00 C ATOM 148 C GLY A 368 -13.609 -15.362 -12.176 1.00 0.00 C ATOM 149 O GLY A 368 -14.472 -16.030 -11.606 1.00 0.00 O ATOM 0 H GLY A 368 -11.318 -13.730 -12.803 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -11.578 -15.760 -11.633 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -12.507 -14.948 -10.389 1.00 0.00 H new ATOM 153 N LYS A 369 -13.737 -14.933 -13.427 1.00 0.00 N ATOM 154 CA LYS A 369 -14.924 -15.228 -14.220 1.00 0.00 C ATOM 155 C LYS A 369 -14.647 -16.349 -15.217 1.00 0.00 C ATOM 156 O LYS A 369 -13.579 -16.399 -15.828 1.00 0.00 O ATOM 157 CB LYS A 369 -15.391 -13.975 -14.963 1.00 0.00 C ATOM 158 CG LYS A 369 -16.394 -13.143 -14.181 1.00 0.00 C ATOM 159 CD LYS A 369 -15.718 -12.341 -13.082 1.00 0.00 C ATOM 160 CE LYS A 369 -16.524 -12.372 -11.793 1.00 0.00 C ATOM 161 NZ LYS A 369 -16.234 -11.195 -10.929 1.00 0.00 N ATOM 0 H LYS A 369 -13.032 -14.379 -13.914 1.00 0.00 H new ATOM 0 HA LYS A 369 -15.712 -15.555 -13.541 1.00 0.00 H new ATOM 0 HB2 LYS A 369 -14.524 -13.358 -15.198 1.00 0.00 H new ATOM 0 HB3 LYS A 369 -15.838 -14.271 -15.912 1.00 0.00 H new ATOM 0 HG2 LYS A 369 -16.914 -12.466 -14.859 1.00 0.00 H new ATOM 0 HG3 LYS A 369 -17.148 -13.797 -13.744 1.00 0.00 H new ATOM 0 HD2 LYS A 369 -14.721 -12.742 -12.899 1.00 0.00 H new ATOM 0 HD3 LYS A 369 -15.592 -11.309 -13.409 1.00 0.00 H new ATOM 0 HE2 LYS A 369 -17.588 -12.395 -12.030 1.00 0.00 H new ATOM 0 HE3 LYS A 369 -16.300 -13.288 -11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 -16.803 -11.253 -10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 -15.224 -11.187 -10.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 -16.472 -10.322 -11.441 1.00 0.00 H new ATOM 175 N ILE A 370 -15.616 -17.244 -15.378 1.00 0.00 N ATOM 176 CA ILE A 370 -15.476 -18.362 -16.304 1.00 0.00 C ATOM 177 C ILE A 370 -15.933 -17.975 -17.706 1.00 0.00 C ATOM 178 O ILE A 370 -16.910 -17.244 -17.873 1.00 0.00 O ATOM 179 CB ILE A 370 -16.283 -19.586 -15.833 1.00 0.00 C ATOM 180 CG1 ILE A 370 -15.959 -19.907 -14.372 1.00 0.00 C ATOM 181 CG2 ILE A 370 -15.991 -20.786 -16.721 1.00 0.00 C ATOM 182 CD1 ILE A 370 -14.495 -20.193 -14.126 1.00 0.00 C ATOM 0 H ILE A 370 -16.506 -17.217 -14.880 1.00 0.00 H new ATOM 0 HA ILE A 370 -14.418 -18.622 -16.328 1.00 0.00 H new ATOM 0 HB ILE A 370 -17.345 -19.353 -15.907 1.00 0.00 H new ATOM 0 HG12 ILE A 370 -16.267 -19.068 -13.747 1.00 0.00 H new ATOM 0 HG13 ILE A 370 -16.547 -20.770 -14.059 1.00 0.00 H new ATOM 0 HG21 ILE A 370 -16.569 -21.643 -16.376 1.00 0.00 H new ATOM 0 HG22 ILE A 370 -16.267 -20.553 -17.750 1.00 0.00 H new ATOM 0 HG23 ILE A 370 -14.928 -21.023 -16.675 1.00 0.00 H new ATOM 0 HD11 ILE A 370 -14.340 -20.412 -13.070 1.00 0.00 H new ATOM 0 HD12 ILE A 370 -14.186 -21.051 -14.724 1.00 0.00 H new ATOM 0 HD13 ILE A 370 -13.902 -19.323 -14.407 1.00 0.00 H new ATOM 194 N PHE A 371 -15.221 -18.471 -18.712 1.00 0.00 N ATOM 195 CA PHE A 371 -15.554 -18.178 -20.102 1.00 0.00 C ATOM 196 C PHE A 371 -15.729 -19.465 -20.902 1.00 0.00 C ATOM 197 O PHE A 371 -14.904 -20.375 -20.823 1.00 0.00 O ATOM 198 CB PHE A 371 -14.463 -17.314 -20.738 1.00 0.00 C ATOM 199 CG PHE A 371 -14.405 -15.919 -20.184 1.00 0.00 C ATOM 200 CD1 PHE A 371 -13.899 -15.683 -18.916 1.00 0.00 C ATOM 201 CD2 PHE A 371 -14.856 -14.843 -20.931 1.00 0.00 C ATOM 202 CE1 PHE A 371 -13.843 -14.401 -18.403 1.00 0.00 C ATOM 203 CE2 PHE A 371 -14.803 -13.558 -20.424 1.00 0.00 C ATOM 204 CZ PHE A 371 -14.297 -13.337 -19.158 1.00 0.00 C ATOM 0 H PHE A 371 -14.410 -19.078 -18.591 1.00 0.00 H new ATOM 0 HA PHE A 371 -16.497 -17.631 -20.116 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -13.497 -17.796 -20.590 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -14.632 -17.263 -21.814 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -13.544 -16.511 -18.321 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -15.254 -15.010 -21.921 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -13.445 -14.231 -17.413 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -15.157 -12.728 -21.017 1.00 0.00 H new ATOM 0 HZ PHE A 371 -14.256 -12.334 -18.759 1.00 0.00 H new ATOM 214 N ARG A 372 -16.811 -19.533 -21.671 1.00 0.00 N ATOM 215 CA ARG A 372 -17.097 -20.709 -22.485 1.00 0.00 C ATOM 216 C ARG A 372 -15.949 -20.996 -23.448 1.00 0.00 C ATOM 217 O ARG A 372 -15.646 -22.153 -23.741 1.00 0.00 O ATOM 218 CB ARG A 372 -18.396 -20.510 -23.267 1.00 0.00 C ATOM 219 CG ARG A 372 -18.360 -19.322 -24.215 1.00 0.00 C ATOM 220 CD ARG A 372 -19.759 -18.808 -24.517 1.00 0.00 C ATOM 221 NE ARG A 372 -20.036 -18.783 -25.951 1.00 0.00 N ATOM 222 CZ ARG A 372 -21.257 -18.680 -26.462 1.00 0.00 C ATOM 223 NH1 ARG A 372 -22.310 -18.592 -25.660 1.00 0.00 N ATOM 224 NH2 ARG A 372 -21.428 -18.664 -27.778 1.00 0.00 N ATOM 0 H ARG A 372 -17.504 -18.788 -21.748 1.00 0.00 H new ATOM 0 HA ARG A 372 -17.210 -21.563 -21.818 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -18.608 -21.414 -23.838 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -19.217 -20.378 -22.563 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -17.764 -18.522 -23.775 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -17.869 -19.611 -25.144 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -20.493 -19.440 -24.017 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -19.872 -17.804 -24.109 1.00 0.00 H new ATOM 0 HE ARG A 372 -19.248 -18.848 -26.595 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -22.183 -18.603 -24.648 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -23.247 -18.513 -26.055 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -20.621 -18.731 -28.398 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -22.367 -18.585 -28.169 1.00 0.00 H new ATOM 238 N ASP A 373 -15.315 -19.936 -23.937 1.00 0.00 N ATOM 239 CA ASP A 373 -14.200 -20.074 -24.867 1.00 0.00 C ATOM 240 C ASP A 373 -13.040 -19.170 -24.462 1.00 0.00 C ATOM 241 O ASP A 373 -13.235 -18.149 -23.802 1.00 0.00 O ATOM 242 CB ASP A 373 -14.651 -19.739 -26.290 1.00 0.00 C ATOM 243 CG ASP A 373 -14.950 -20.979 -27.110 1.00 0.00 C ATOM 244 OD1 ASP A 373 -16.101 -21.460 -27.061 1.00 0.00 O ATOM 245 OD2 ASP A 373 -14.032 -21.468 -27.801 1.00 0.00 O ATOM 0 H ASP A 373 -15.554 -18.972 -23.705 1.00 0.00 H new ATOM 0 HA ASP A 373 -13.859 -21.109 -24.836 1.00 0.00 H new ATOM 0 HB2 ASP A 373 -15.541 -19.112 -26.248 1.00 0.00 H new ATOM 0 HB3 ASP A 373 -13.875 -19.157 -26.787 1.00 0.00 H new ATOM 250 N VAL A 374 -11.831 -19.553 -24.860 1.00 0.00 N ATOM 251 CA VAL A 374 -10.639 -18.778 -24.539 1.00 0.00 C ATOM 252 C VAL A 374 -10.464 -17.613 -25.506 1.00 0.00 C ATOM 253 O VAL A 374 -9.968 -16.550 -25.131 1.00 0.00 O ATOM 254 CB VAL A 374 -9.373 -19.655 -24.574 1.00 0.00 C ATOM 255 CG1 VAL A 374 -8.144 -18.833 -24.217 1.00 0.00 C ATOM 256 CG2 VAL A 374 -9.522 -20.843 -23.635 1.00 0.00 C ATOM 0 H VAL A 374 -11.651 -20.396 -25.406 1.00 0.00 H new ATOM 0 HA VAL A 374 -10.776 -18.391 -23.529 1.00 0.00 H new ATOM 0 HB VAL A 374 -9.244 -20.036 -25.587 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -7.259 -19.469 -24.247 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -8.030 -18.019 -24.933 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -8.261 -18.421 -23.215 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.619 -21.452 -23.672 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -9.677 -20.485 -22.617 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.378 -21.444 -23.942 1.00 0.00 H new ATOM 266 N TYR A 375 -10.874 -17.819 -26.753 1.00 0.00 N ATOM 267 CA TYR A 375 -10.761 -16.786 -27.776 1.00 0.00 C ATOM 268 C TYR A 375 -11.407 -15.485 -27.309 1.00 0.00 C ATOM 269 O TYR A 375 -10.959 -14.394 -27.665 1.00 0.00 O ATOM 270 CB TYR A 375 -11.413 -17.255 -29.077 1.00 0.00 C ATOM 271 CG TYR A 375 -10.465 -17.987 -30.001 1.00 0.00 C ATOM 272 CD1 TYR A 375 -9.879 -19.187 -29.617 1.00 0.00 C ATOM 273 CD2 TYR A 375 -10.155 -17.478 -31.256 1.00 0.00 C ATOM 274 CE1 TYR A 375 -9.012 -19.859 -30.457 1.00 0.00 C ATOM 275 CE2 TYR A 375 -9.290 -18.144 -32.102 1.00 0.00 C ATOM 276 CZ TYR A 375 -8.721 -19.333 -31.698 1.00 0.00 C ATOM 277 OH TYR A 375 -7.858 -19.999 -32.538 1.00 0.00 O ATOM 0 H TYR A 375 -11.288 -18.692 -27.080 1.00 0.00 H new ATOM 0 HA TYR A 375 -9.702 -16.600 -27.955 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -12.251 -17.909 -28.838 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -11.822 -16.391 -29.600 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -10.105 -19.601 -28.646 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -10.598 -16.546 -31.575 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -8.565 -20.791 -30.144 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -9.061 -17.735 -33.075 1.00 0.00 H new ATOM 0 HH TYR A 375 -7.761 -19.496 -33.373 1.00 0.00 H new ATOM 287 N HIS A 376 -12.462 -15.609 -26.511 1.00 0.00 N ATOM 288 CA HIS A 376 -13.170 -14.443 -25.994 1.00 0.00 C ATOM 289 C HIS A 376 -12.446 -13.860 -24.784 1.00 0.00 C ATOM 290 O HIS A 376 -12.378 -12.641 -24.616 1.00 0.00 O ATOM 291 CB HIS A 376 -14.603 -14.818 -25.613 1.00 0.00 C ATOM 292 CG HIS A 376 -15.642 -13.999 -26.314 1.00 0.00 C ATOM 293 ND1 HIS A 376 -15.577 -12.625 -26.414 1.00 0.00 N ATOM 294 CD2 HIS A 376 -16.777 -14.367 -26.954 1.00 0.00 C ATOM 295 CE1 HIS A 376 -16.627 -12.184 -27.083 1.00 0.00 C ATOM 296 NE2 HIS A 376 -17.371 -13.221 -27.422 1.00 0.00 N ATOM 0 H HIS A 376 -12.846 -16.504 -26.208 1.00 0.00 H new ATOM 0 HA HIS A 376 -13.196 -13.687 -26.779 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -14.767 -15.871 -25.841 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -14.726 -14.702 -24.536 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -17.146 -15.375 -27.074 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -16.841 -11.151 -27.314 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -18.245 -13.178 -27.946 1.00 0.00 H new ATOM 304 N LEU A 377 -11.908 -14.737 -23.944 1.00 0.00 N ATOM 305 CA LEU A 377 -11.189 -14.309 -22.748 1.00 0.00 C ATOM 306 C LEU A 377 -10.094 -13.307 -23.101 1.00 0.00 C ATOM 307 O LEU A 377 -9.853 -12.352 -22.365 1.00 0.00 O ATOM 308 CB LEU A 377 -10.580 -15.517 -22.035 1.00 0.00 C ATOM 309 CG LEU A 377 -9.796 -15.218 -20.757 1.00 0.00 C ATOM 310 CD1 LEU A 377 -10.729 -14.724 -19.662 1.00 0.00 C ATOM 311 CD2 LEU A 377 -9.036 -16.453 -20.296 1.00 0.00 C ATOM 0 H LEU A 377 -11.956 -15.748 -24.068 1.00 0.00 H new ATOM 0 HA LEU A 377 -11.900 -13.822 -22.081 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -11.383 -16.212 -21.790 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -9.917 -16.029 -22.732 1.00 0.00 H new ATOM 0 HG LEU A 377 -9.073 -14.431 -20.973 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -10.153 -14.516 -18.760 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -11.227 -13.813 -19.992 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -11.476 -15.489 -19.448 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -8.484 -16.221 -19.385 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -9.740 -17.261 -20.098 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -8.339 -16.763 -21.074 1.00 0.00 H new ATOM 323 N ASN A 378 -9.435 -13.533 -24.233 1.00 0.00 N ATOM 324 CA ASN A 378 -8.366 -12.649 -24.684 1.00 0.00 C ATOM 325 C ASN A 378 -8.838 -11.199 -24.719 1.00 0.00 C ATOM 326 O ASN A 378 -8.172 -10.306 -24.195 1.00 0.00 O ATOM 327 CB ASN A 378 -7.878 -13.072 -26.071 1.00 0.00 C ATOM 328 CG ASN A 378 -6.475 -12.578 -26.366 1.00 0.00 C ATOM 329 OD1 ASN A 378 -6.273 -11.728 -27.233 1.00 0.00 O ATOM 330 ND2 ASN A 378 -5.496 -13.111 -25.643 1.00 0.00 N ATOM 0 H ASN A 378 -9.622 -14.320 -24.854 1.00 0.00 H new ATOM 0 HA ASN A 378 -7.541 -12.727 -23.976 1.00 0.00 H new ATOM 0 HB2 ASN A 378 -7.900 -14.159 -26.145 1.00 0.00 H new ATOM 0 HB3 ASN A 378 -8.562 -12.687 -26.827 1.00 0.00 H new ATOM 0 HD21 ASN A 378 -4.531 -12.818 -25.796 1.00 0.00 H new ATOM 0 HD22 ASN A 378 -5.709 -13.813 -24.934 1.00 0.00 H new ATOM 337 N ARG A 379 -9.991 -10.972 -25.340 1.00 0.00 N ATOM 338 CA ARG A 379 -10.552 -9.630 -25.444 1.00 0.00 C ATOM 339 C ARG A 379 -10.938 -9.095 -24.069 1.00 0.00 C ATOM 340 O ARG A 379 -10.964 -7.883 -23.848 1.00 0.00 O ATOM 341 CB ARG A 379 -11.774 -9.636 -26.364 1.00 0.00 C ATOM 342 CG ARG A 379 -11.543 -10.358 -27.681 1.00 0.00 C ATOM 343 CD ARG A 379 -12.709 -10.160 -28.637 1.00 0.00 C ATOM 344 NE ARG A 379 -12.641 -11.069 -29.778 1.00 0.00 N ATOM 345 CZ ARG A 379 -13.343 -10.901 -30.894 1.00 0.00 C ATOM 346 NH1 ARG A 379 -14.160 -9.865 -31.017 1.00 0.00 N ATOM 347 NH2 ARG A 379 -13.227 -11.771 -31.889 1.00 0.00 N ATOM 0 H ARG A 379 -10.555 -11.700 -25.779 1.00 0.00 H new ATOM 0 HA ARG A 379 -9.790 -8.976 -25.868 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -12.608 -10.107 -25.843 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -12.067 -8.607 -26.571 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -10.626 -9.991 -28.143 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -11.401 -11.422 -27.494 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -13.646 -10.318 -28.103 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -12.715 -9.130 -28.994 1.00 0.00 H new ATOM 0 HE ARG A 379 -12.021 -11.877 -29.715 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -14.251 -9.194 -30.254 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -14.698 -9.738 -31.875 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -12.599 -12.569 -31.798 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -13.766 -11.641 -32.745 1.00 0.00 H new ATOM 361 N HIS A 380 -11.238 -10.005 -23.148 1.00 0.00 N ATOM 362 CA HIS A 380 -11.624 -9.624 -21.794 1.00 0.00 C ATOM 363 C HIS A 380 -10.407 -9.181 -20.987 1.00 0.00 C ATOM 364 O HIS A 380 -10.351 -8.053 -20.496 1.00 0.00 O ATOM 365 CB HIS A 380 -12.319 -10.791 -21.091 1.00 0.00 C ATOM 366 CG HIS A 380 -12.585 -10.543 -19.638 1.00 0.00 C ATOM 367 ND1 HIS A 380 -13.719 -9.908 -19.178 1.00 0.00 N ATOM 368 CD2 HIS A 380 -11.856 -10.850 -18.540 1.00 0.00 C ATOM 369 CE1 HIS A 380 -13.675 -9.833 -17.860 1.00 0.00 C ATOM 370 NE2 HIS A 380 -12.555 -10.398 -17.448 1.00 0.00 N ATOM 0 H HIS A 380 -11.221 -11.011 -23.314 1.00 0.00 H new ATOM 0 HA HIS A 380 -12.318 -8.786 -21.863 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -13.263 -10.997 -21.595 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -11.702 -11.684 -21.192 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -10.902 -11.356 -18.525 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -14.427 -9.386 -17.227 1.00 0.00 H new ATOM 0 HE2 HIS A 380 -12.257 -10.485 -16.476 1.00 0.00 H new ATOM 378 N LYS A 381 -9.434 -10.076 -20.853 1.00 0.00 N ATOM 379 CA LYS A 381 -8.218 -9.779 -20.106 1.00 0.00 C ATOM 380 C LYS A 381 -7.542 -8.522 -20.645 1.00 0.00 C ATOM 381 O LYS A 381 -6.860 -7.807 -19.909 1.00 0.00 O ATOM 382 CB LYS A 381 -7.249 -10.962 -20.177 1.00 0.00 C ATOM 383 CG LYS A 381 -7.861 -12.276 -19.725 1.00 0.00 C ATOM 384 CD LYS A 381 -6.824 -13.385 -19.672 1.00 0.00 C ATOM 385 CE LYS A 381 -6.215 -13.644 -21.042 1.00 0.00 C ATOM 386 NZ LYS A 381 -6.128 -15.100 -21.344 1.00 0.00 N ATOM 0 H LYS A 381 -9.464 -11.014 -21.253 1.00 0.00 H new ATOM 0 HA LYS A 381 -8.494 -9.605 -19.066 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -6.894 -11.069 -21.202 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -6.378 -10.745 -19.559 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -8.310 -12.149 -18.740 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -8.663 -12.559 -20.407 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -6.037 -13.115 -18.968 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -7.286 -14.299 -19.299 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -6.816 -13.150 -21.806 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -5.219 -13.204 -21.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -5.259 -15.292 -21.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -6.110 -15.639 -20.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -6.954 -15.388 -21.906 1.00 0.00 H new ATOM 400 N LEU A 382 -7.737 -8.257 -21.932 1.00 0.00 N ATOM 401 CA LEU A 382 -7.147 -7.085 -22.570 1.00 0.00 C ATOM 402 C LEU A 382 -7.792 -5.802 -22.053 1.00 0.00 C ATOM 403 O LEU A 382 -7.167 -4.742 -22.045 1.00 0.00 O ATOM 404 CB LEU A 382 -7.305 -7.173 -24.089 1.00 0.00 C ATOM 405 CG LEU A 382 -6.345 -8.120 -24.809 1.00 0.00 C ATOM 406 CD1 LEU A 382 -6.925 -8.553 -26.146 1.00 0.00 C ATOM 407 CD2 LEU A 382 -4.988 -7.458 -25.004 1.00 0.00 C ATOM 0 H LEU A 382 -8.299 -8.838 -22.554 1.00 0.00 H new ATOM 0 HA LEU A 382 -6.086 -7.062 -22.322 1.00 0.00 H new ATOM 0 HB2 LEU A 382 -8.326 -7.485 -24.311 1.00 0.00 H new ATOM 0 HB3 LEU A 382 -7.179 -6.174 -24.506 1.00 0.00 H new ATOM 0 HG LEU A 382 -6.209 -9.007 -24.191 1.00 0.00 H new ATOM 0 HD11 LEU A 382 -6.228 -9.227 -26.644 1.00 0.00 H new ATOM 0 HD12 LEU A 382 -7.872 -9.067 -25.982 1.00 0.00 H new ATOM 0 HD13 LEU A 382 -7.092 -7.676 -26.771 1.00 0.00 H new ATOM 0 HD21 LEU A 382 -4.318 -8.147 -25.518 1.00 0.00 H new ATOM 0 HD22 LEU A 382 -5.107 -6.554 -25.601 1.00 0.00 H new ATOM 0 HD23 LEU A 382 -4.567 -7.199 -24.033 1.00 0.00 H new ATOM 480 N LYS A 388 -8.518 4.225 -20.111 1.00 0.00 N ATOM 481 CA LYS A 388 -9.499 4.760 -21.048 1.00 0.00 C ATOM 482 C LYS A 388 -10.537 5.611 -20.323 1.00 0.00 C ATOM 483 O LYS A 388 -10.733 5.496 -19.113 1.00 0.00 O ATOM 484 CB LYS A 388 -10.192 3.621 -21.799 1.00 0.00 C ATOM 485 CG LYS A 388 -10.371 2.364 -20.965 1.00 0.00 C ATOM 486 CD LYS A 388 -11.395 1.426 -21.583 1.00 0.00 C ATOM 487 CE LYS A 388 -10.729 0.366 -22.447 1.00 0.00 C ATOM 488 NZ LYS A 388 -10.854 -0.994 -21.853 1.00 0.00 N ATOM 0 HA LYS A 388 -8.973 5.392 -21.764 1.00 0.00 H new ATOM 0 HB2 LYS A 388 -11.169 3.963 -22.140 1.00 0.00 H new ATOM 0 HB3 LYS A 388 -9.611 3.377 -22.689 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -9.415 1.849 -20.871 1.00 0.00 H new ATOM 0 HG3 LYS A 388 -10.687 2.636 -19.958 1.00 0.00 H new ATOM 0 HD2 LYS A 388 -11.972 0.944 -20.794 1.00 0.00 H new ATOM 0 HD3 LYS A 388 -12.098 2.000 -22.186 1.00 0.00 H new ATOM 0 HE2 LYS A 388 -11.179 0.371 -23.440 1.00 0.00 H new ATOM 0 HE3 LYS A 388 -9.675 0.611 -22.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 -10.387 -1.687 -22.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 -10.402 -1.007 -20.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 -11.860 -1.239 -21.755 1.00 0.00 H new ATOM 502 N PRO A 389 -11.219 6.485 -21.078 1.00 0.00 N ATOM 503 CA PRO A 389 -10.994 6.630 -22.519 1.00 0.00 C ATOM 504 C PRO A 389 -9.643 7.264 -22.834 1.00 0.00 C ATOM 505 O PRO A 389 -8.963 6.862 -23.778 1.00 0.00 O ATOM 506 CB PRO A 389 -12.133 7.551 -22.965 1.00 0.00 C ATOM 507 CG PRO A 389 -12.495 8.325 -21.744 1.00 0.00 C ATOM 508 CD PRO A 389 -12.263 7.398 -20.583 1.00 0.00 C ATOM 0 HA PRO A 389 -10.982 5.666 -23.028 1.00 0.00 H new ATOM 0 HB2 PRO A 389 -11.815 8.211 -23.772 1.00 0.00 H new ATOM 0 HB3 PRO A 389 -12.983 6.978 -23.337 1.00 0.00 H new ATOM 0 HG2 PRO A 389 -11.883 9.223 -21.655 1.00 0.00 H new ATOM 0 HG3 PRO A 389 -13.535 8.650 -21.782 1.00 0.00 H new ATOM 0 HD2 PRO A 389 -11.935 7.940 -19.696 1.00 0.00 H new ATOM 0 HD3 PRO A 389 -13.171 6.860 -20.311 1.00 0.00 H new ATOM 516 N TYR A 390 -9.261 8.256 -22.038 1.00 0.00 N ATOM 517 CA TYR A 390 -7.992 8.947 -22.233 1.00 0.00 C ATOM 518 C TYR A 390 -7.143 8.895 -20.966 1.00 0.00 C ATOM 519 O TYR A 390 -7.375 9.646 -20.019 1.00 0.00 O ATOM 520 CB TYR A 390 -8.235 10.401 -22.638 1.00 0.00 C ATOM 521 CG TYR A 390 -9.299 10.564 -23.701 1.00 0.00 C ATOM 522 CD1 TYR A 390 -9.003 10.365 -25.044 1.00 0.00 C ATOM 523 CD2 TYR A 390 -10.600 10.915 -23.362 1.00 0.00 C ATOM 524 CE1 TYR A 390 -9.971 10.514 -26.018 1.00 0.00 C ATOM 525 CE2 TYR A 390 -11.574 11.064 -24.329 1.00 0.00 C ATOM 526 CZ TYR A 390 -11.255 10.863 -25.656 1.00 0.00 C ATOM 527 OH TYR A 390 -12.223 11.010 -26.623 1.00 0.00 O ATOM 0 H TYR A 390 -9.812 8.600 -21.251 1.00 0.00 H new ATOM 0 HA TYR A 390 -7.451 8.440 -23.032 1.00 0.00 H new ATOM 0 HB2 TYR A 390 -8.524 10.972 -21.756 1.00 0.00 H new ATOM 0 HB3 TYR A 390 -7.301 10.829 -23.002 1.00 0.00 H new ATOM 0 HD1 TYR A 390 -7.999 10.089 -25.331 1.00 0.00 H new ATOM 0 HD2 TYR A 390 -10.854 11.074 -22.324 1.00 0.00 H new ATOM 0 HE1 TYR A 390 -9.724 10.358 -27.058 1.00 0.00 H new ATOM 0 HE2 TYR A 390 -12.581 11.337 -24.048 1.00 0.00 H new ATOM 0 HH TYR A 390 -13.072 11.257 -26.201 1.00 0.00 H new ATOM 537 N SER A 391 -6.158 8.003 -20.957 1.00 0.00 N ATOM 538 CA SER A 391 -5.275 7.850 -19.807 1.00 0.00 C ATOM 539 C SER A 391 -3.859 8.306 -20.144 1.00 0.00 C ATOM 540 O SER A 391 -3.439 8.264 -21.301 1.00 0.00 O ATOM 541 CB SER A 391 -5.257 6.392 -19.342 1.00 0.00 C ATOM 542 OG SER A 391 -4.569 5.570 -20.269 1.00 0.00 O ATOM 0 H SER A 391 -5.951 7.375 -21.734 1.00 0.00 H new ATOM 0 HA SER A 391 -5.657 8.477 -19.001 1.00 0.00 H new ATOM 0 HB2 SER A 391 -4.778 6.324 -18.365 1.00 0.00 H new ATOM 0 HB3 SER A 391 -6.279 6.033 -19.221 1.00 0.00 H new ATOM 0 HG SER A 391 -4.570 4.644 -19.949 1.00 0.00 H new ATOM 548 N CYS A 392 -3.127 8.743 -19.125 1.00 0.00 N ATOM 549 CA CYS A 392 -1.758 9.209 -19.310 1.00 0.00 C ATOM 550 C CYS A 392 -0.784 8.034 -19.344 1.00 0.00 C ATOM 551 O CYS A 392 -0.784 7.170 -18.467 1.00 0.00 O ATOM 552 CB CYS A 392 -1.369 10.175 -18.190 1.00 0.00 C ATOM 553 SG CYS A 392 0.156 11.118 -18.516 1.00 0.00 S ATOM 0 H CYS A 392 -3.459 8.784 -18.162 1.00 0.00 H new ATOM 0 HA CYS A 392 -1.705 9.731 -20.265 1.00 0.00 H new ATOM 0 HB2 CYS A 392 -2.189 10.875 -18.028 1.00 0.00 H new ATOM 0 HB3 CYS A 392 -1.244 9.611 -17.266 1.00 0.00 H new ATOM 0 HG CYS A 392 0.762 11.365 -17.393 1.00 0.00 H new ATOM 558 N PRO A 393 0.067 8.001 -20.381 1.00 0.00 N ATOM 559 CA PRO A 393 1.062 6.938 -20.554 1.00 0.00 C ATOM 560 C PRO A 393 2.176 7.013 -19.516 1.00 0.00 C ATOM 561 O PRO A 393 2.912 6.048 -19.309 1.00 0.00 O ATOM 562 CB PRO A 393 1.619 7.200 -21.956 1.00 0.00 C ATOM 563 CG PRO A 393 1.395 8.654 -22.188 1.00 0.00 C ATOM 564 CD PRO A 393 0.123 8.998 -21.463 1.00 0.00 C ATOM 0 HA PRO A 393 0.626 5.947 -20.432 1.00 0.00 H new ATOM 0 HB2 PRO A 393 2.678 6.949 -22.014 1.00 0.00 H new ATOM 0 HB3 PRO A 393 1.106 6.596 -22.705 1.00 0.00 H new ATOM 0 HG2 PRO A 393 2.231 9.243 -21.810 1.00 0.00 H new ATOM 0 HG3 PRO A 393 1.308 8.870 -23.253 1.00 0.00 H new ATOM 0 HD2 PRO A 393 0.146 10.015 -21.072 1.00 0.00 H new ATOM 0 HD3 PRO A 393 -0.745 8.928 -22.119 1.00 0.00 H new ATOM 572 N VAL A 394 2.295 8.165 -18.864 1.00 0.00 N ATOM 573 CA VAL A 394 3.319 8.365 -17.845 1.00 0.00 C ATOM 574 C VAL A 394 2.776 8.063 -16.453 1.00 0.00 C ATOM 575 O VAL A 394 3.341 7.255 -15.716 1.00 0.00 O ATOM 576 CB VAL A 394 3.862 9.806 -17.870 1.00 0.00 C ATOM 577 CG1 VAL A 394 4.949 9.986 -16.821 1.00 0.00 C ATOM 578 CG2 VAL A 394 4.385 10.154 -19.256 1.00 0.00 C ATOM 0 H VAL A 394 1.695 8.974 -19.023 1.00 0.00 H new ATOM 0 HA VAL A 394 4.131 7.674 -18.073 1.00 0.00 H new ATOM 0 HB VAL A 394 3.045 10.487 -17.633 1.00 0.00 H new ATOM 0 HG11 VAL A 394 5.320 11.010 -16.854 1.00 0.00 H new ATOM 0 HG12 VAL A 394 4.538 9.780 -15.832 1.00 0.00 H new ATOM 0 HG13 VAL A 394 5.768 9.296 -17.024 1.00 0.00 H new ATOM 0 HG21 VAL A 394 4.765 11.176 -19.256 1.00 0.00 H new ATOM 0 HG22 VAL A 394 5.189 9.468 -19.524 1.00 0.00 H new ATOM 0 HG23 VAL A 394 3.577 10.068 -19.982 1.00 0.00 H new ATOM 588 N CYS A 395 1.675 8.717 -16.099 1.00 0.00 N ATOM 589 CA CYS A 395 1.053 8.519 -14.795 1.00 0.00 C ATOM 590 C CYS A 395 0.185 7.264 -14.791 1.00 0.00 C ATOM 591 O CYS A 395 0.513 6.272 -14.141 1.00 0.00 O ATOM 592 CB CYS A 395 0.208 9.738 -14.419 1.00 0.00 C ATOM 593 SG CYS A 395 1.053 11.333 -14.665 1.00 0.00 S ATOM 0 H CYS A 395 1.195 9.389 -16.697 1.00 0.00 H new ATOM 0 HA CYS A 395 1.846 8.393 -14.058 1.00 0.00 H new ATOM 0 HB2 CYS A 395 -0.707 9.729 -15.011 1.00 0.00 H new ATOM 0 HB3 CYS A 395 -0.088 9.653 -13.373 1.00 0.00 H new ATOM 0 HG CYS A 395 0.224 12.187 -15.187 1.00 0.00 H new ATOM 598 N GLY A 396 -0.924 7.315 -15.523 1.00 0.00 N ATOM 599 CA GLY A 396 -1.822 6.177 -15.590 1.00 0.00 C ATOM 600 C GLY A 396 -3.258 6.553 -15.285 1.00 0.00 C ATOM 601 O GLY A 396 -4.172 5.748 -15.473 1.00 0.00 O ATOM 0 H GLY A 396 -1.216 8.124 -16.071 1.00 0.00 H new ATOM 0 HA2 GLY A 396 -1.769 5.734 -16.585 1.00 0.00 H new ATOM 0 HA3 GLY A 396 -1.491 5.415 -14.884 1.00 0.00 H new ATOM 605 N LEU A 397 -3.459 7.777 -14.810 1.00 0.00 N ATOM 606 CA LEU A 397 -4.796 8.258 -14.476 1.00 0.00 C ATOM 607 C LEU A 397 -5.731 8.144 -15.675 1.00 0.00 C ATOM 608 O LEU A 397 -5.287 7.927 -16.803 1.00 0.00 O ATOM 609 CB LEU A 397 -4.732 9.710 -14.000 1.00 0.00 C ATOM 610 CG LEU A 397 -4.839 9.927 -12.490 1.00 0.00 C ATOM 611 CD1 LEU A 397 -3.686 10.784 -11.991 1.00 0.00 C ATOM 612 CD2 LEU A 397 -6.173 10.567 -12.136 1.00 0.00 C ATOM 0 H LEU A 397 -2.714 8.455 -14.647 1.00 0.00 H new ATOM 0 HA LEU A 397 -5.189 7.636 -13.672 1.00 0.00 H new ATOM 0 HB2 LEU A 397 -3.792 10.143 -14.343 1.00 0.00 H new ATOM 0 HB3 LEU A 397 -5.535 10.266 -14.484 1.00 0.00 H new ATOM 0 HG LEU A 397 -4.783 8.956 -11.998 1.00 0.00 H new ATOM 0 HD11 LEU A 397 -3.779 10.928 -10.915 1.00 0.00 H new ATOM 0 HD12 LEU A 397 -2.741 10.287 -12.211 1.00 0.00 H new ATOM 0 HD13 LEU A 397 -3.710 11.753 -12.490 1.00 0.00 H new ATOM 0 HD21 LEU A 397 -6.231 10.714 -11.058 1.00 0.00 H new ATOM 0 HD22 LEU A 397 -6.259 11.530 -12.639 1.00 0.00 H new ATOM 0 HD23 LEU A 397 -6.986 9.916 -12.458 1.00 0.00 H new ATOM 624 N ARG A 398 -7.027 8.294 -15.424 1.00 0.00 N ATOM 625 CA ARG A 398 -8.025 8.209 -16.484 1.00 0.00 C ATOM 626 C ARG A 398 -8.825 9.505 -16.582 1.00 0.00 C ATOM 627 O ARG A 398 -9.323 10.017 -15.580 1.00 0.00 O ATOM 628 CB ARG A 398 -8.970 7.032 -16.231 1.00 0.00 C ATOM 629 CG ARG A 398 -8.387 5.687 -16.632 1.00 0.00 C ATOM 630 CD ARG A 398 -7.816 4.947 -15.432 1.00 0.00 C ATOM 631 NE ARG A 398 -8.398 3.616 -15.283 1.00 0.00 N ATOM 632 CZ ARG A 398 -9.627 3.398 -14.827 1.00 0.00 C ATOM 633 NH1 ARG A 398 -10.399 4.417 -14.479 1.00 0.00 N ATOM 634 NH2 ARG A 398 -10.085 2.157 -14.720 1.00 0.00 N ATOM 0 H ARG A 398 -7.411 8.475 -14.496 1.00 0.00 H new ATOM 0 HA ARG A 398 -7.504 8.051 -17.428 1.00 0.00 H new ATOM 0 HB2 ARG A 398 -9.229 7.005 -15.172 1.00 0.00 H new ATOM 0 HB3 ARG A 398 -9.896 7.196 -16.781 1.00 0.00 H new ATOM 0 HG2 ARG A 398 -9.161 5.079 -17.101 1.00 0.00 H new ATOM 0 HG3 ARG A 398 -7.604 5.836 -17.375 1.00 0.00 H new ATOM 0 HD2 ARG A 398 -6.735 4.860 -15.540 1.00 0.00 H new ATOM 0 HD3 ARG A 398 -8.000 5.527 -14.527 1.00 0.00 H new ATOM 0 HE ARG A 398 -7.830 2.810 -15.543 1.00 0.00 H new ATOM 0 HH11 ARG A 398 -10.050 5.372 -14.561 1.00 0.00 H new ATOM 0 HH12 ARG A 398 -11.342 4.246 -14.129 1.00 0.00 H new ATOM 0 HH21 ARG A 398 -9.494 1.370 -14.988 1.00 0.00 H new ATOM 0 HH22 ARG A 398 -11.028 1.990 -14.370 1.00 0.00 H new ATOM 648 N PHE A 399 -8.944 10.030 -17.798 1.00 0.00 N ATOM 649 CA PHE A 399 -9.682 11.266 -18.027 1.00 0.00 C ATOM 650 C PHE A 399 -10.866 11.028 -18.960 1.00 0.00 C ATOM 651 O PHE A 399 -10.893 10.053 -19.712 1.00 0.00 O ATOM 652 CB PHE A 399 -8.759 12.333 -18.619 1.00 0.00 C ATOM 653 CG PHE A 399 -7.723 12.832 -17.653 1.00 0.00 C ATOM 654 CD1 PHE A 399 -6.551 12.123 -17.446 1.00 0.00 C ATOM 655 CD2 PHE A 399 -7.921 14.010 -16.951 1.00 0.00 C ATOM 656 CE1 PHE A 399 -5.595 12.579 -16.558 1.00 0.00 C ATOM 657 CE2 PHE A 399 -6.969 14.472 -16.062 1.00 0.00 C ATOM 658 CZ PHE A 399 -5.805 13.755 -15.865 1.00 0.00 C ATOM 0 H PHE A 399 -8.539 9.618 -18.639 1.00 0.00 H new ATOM 0 HA PHE A 399 -10.063 11.616 -17.067 1.00 0.00 H new ATOM 0 HB2 PHE A 399 -8.259 11.923 -19.496 1.00 0.00 H new ATOM 0 HB3 PHE A 399 -9.362 13.175 -18.960 1.00 0.00 H new ATOM 0 HD1 PHE A 399 -6.382 11.203 -17.985 1.00 0.00 H new ATOM 0 HD2 PHE A 399 -8.830 14.574 -17.100 1.00 0.00 H new ATOM 0 HE1 PHE A 399 -4.685 12.017 -16.406 1.00 0.00 H new ATOM 0 HE2 PHE A 399 -7.135 15.392 -15.522 1.00 0.00 H new ATOM 0 HZ PHE A 399 -5.060 14.114 -15.170 1.00 0.00 H new ATOM 668 N LYS A 400 -11.844 11.925 -18.905 1.00 0.00 N ATOM 669 CA LYS A 400 -13.032 11.815 -19.744 1.00 0.00 C ATOM 670 C LYS A 400 -13.120 12.986 -20.718 1.00 0.00 C ATOM 671 O LYS A 400 -14.200 13.317 -21.208 1.00 0.00 O ATOM 672 CB LYS A 400 -14.292 11.764 -18.876 1.00 0.00 C ATOM 673 CG LYS A 400 -15.219 10.611 -19.218 1.00 0.00 C ATOM 674 CD LYS A 400 -16.601 11.105 -19.613 1.00 0.00 C ATOM 675 CE LYS A 400 -17.574 11.029 -18.447 1.00 0.00 C ATOM 676 NZ LYS A 400 -18.397 9.788 -18.491 1.00 0.00 N ATOM 0 H LYS A 400 -11.838 12.737 -18.288 1.00 0.00 H new ATOM 0 HA LYS A 400 -12.956 10.892 -20.318 1.00 0.00 H new ATOM 0 HB2 LYS A 400 -13.999 11.686 -17.829 1.00 0.00 H new ATOM 0 HB3 LYS A 400 -14.837 12.702 -18.985 1.00 0.00 H new ATOM 0 HG2 LYS A 400 -14.792 10.030 -20.035 1.00 0.00 H new ATOM 0 HG3 LYS A 400 -15.302 9.943 -18.361 1.00 0.00 H new ATOM 0 HD2 LYS A 400 -16.534 12.134 -19.966 1.00 0.00 H new ATOM 0 HD3 LYS A 400 -16.979 10.508 -20.443 1.00 0.00 H new ATOM 0 HE2 LYS A 400 -17.020 11.064 -17.509 1.00 0.00 H new ATOM 0 HE3 LYS A 400 -18.229 11.900 -18.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 -19.047 9.774 -17.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 -18.945 9.766 -19.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 -17.774 8.956 -18.450 1.00 0.00 H new ATOM 690 N ARG A 401 -11.978 13.606 -20.995 1.00 0.00 N ATOM 691 CA ARG A 401 -11.928 14.740 -21.911 1.00 0.00 C ATOM 692 C ARG A 401 -10.573 14.814 -22.609 1.00 0.00 C ATOM 693 O ARG A 401 -9.526 14.701 -21.971 1.00 0.00 O ATOM 694 CB ARG A 401 -12.198 16.044 -21.158 1.00 0.00 C ATOM 695 CG ARG A 401 -11.584 16.083 -19.768 1.00 0.00 C ATOM 696 CD ARG A 401 -12.572 15.618 -18.710 1.00 0.00 C ATOM 697 NE ARG A 401 -13.301 16.735 -18.114 1.00 0.00 N ATOM 698 CZ ARG A 401 -14.444 16.597 -17.452 1.00 0.00 C ATOM 699 NH1 ARG A 401 -14.986 15.396 -17.301 1.00 0.00 N ATOM 700 NH2 ARG A 401 -15.048 17.661 -16.939 1.00 0.00 N ATOM 0 H ARG A 401 -11.076 13.343 -20.599 1.00 0.00 H new ATOM 0 HA ARG A 401 -12.700 14.599 -22.667 1.00 0.00 H new ATOM 0 HB2 ARG A 401 -11.808 16.878 -21.742 1.00 0.00 H new ATOM 0 HB3 ARG A 401 -13.275 16.189 -21.074 1.00 0.00 H new ATOM 0 HG2 ARG A 401 -10.697 15.450 -19.743 1.00 0.00 H new ATOM 0 HG3 ARG A 401 -11.257 17.098 -19.542 1.00 0.00 H new ATOM 0 HD2 ARG A 401 -13.280 14.920 -19.157 1.00 0.00 H new ATOM 0 HD3 ARG A 401 -12.039 15.075 -17.929 1.00 0.00 H new ATOM 0 HE ARG A 401 -12.911 17.672 -18.212 1.00 0.00 H new ATOM 0 HH11 ARG A 401 -14.525 14.575 -17.694 1.00 0.00 H new ATOM 0 HH12 ARG A 401 -15.864 15.293 -16.792 1.00 0.00 H new ATOM 0 HH21 ARG A 401 -14.635 18.586 -17.053 1.00 0.00 H new ATOM 0 HH22 ARG A 401 -15.926 17.554 -16.431 1.00 0.00 H new ATOM 714 N LYS A 402 -10.600 15.004 -23.924 1.00 0.00 N ATOM 715 CA LYS A 402 -9.376 15.095 -24.710 1.00 0.00 C ATOM 716 C LYS A 402 -8.748 16.479 -24.582 1.00 0.00 C ATOM 717 O LYS A 402 -7.548 16.649 -24.800 1.00 0.00 O ATOM 718 CB LYS A 402 -9.666 14.789 -26.182 1.00 0.00 C ATOM 719 CG LYS A 402 -8.433 14.396 -26.976 1.00 0.00 C ATOM 720 CD LYS A 402 -8.780 13.449 -28.113 1.00 0.00 C ATOM 721 CE LYS A 402 -7.705 12.391 -28.304 1.00 0.00 C ATOM 722 NZ LYS A 402 -7.710 11.838 -29.687 1.00 0.00 N ATOM 0 H LYS A 402 -11.458 15.098 -24.468 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.671 14.359 -24.324 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -10.397 13.983 -26.239 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -10.121 15.665 -26.644 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -7.958 15.291 -27.379 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -7.709 13.921 -26.314 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -9.735 12.966 -27.907 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -8.902 14.016 -29.036 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -6.728 12.823 -28.089 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -7.860 11.583 -27.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -6.963 11.120 -29.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -8.634 11.403 -29.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -7.537 12.605 -30.368 1.00 0.00 H new ATOM 736 N ASP A 403 -9.566 17.464 -24.227 1.00 0.00 N ATOM 737 CA ASP A 403 -9.089 18.833 -24.067 1.00 0.00 C ATOM 738 C ASP A 403 -8.278 18.979 -22.783 1.00 0.00 C ATOM 739 O ASP A 403 -7.467 19.896 -22.652 1.00 0.00 O ATOM 740 CB ASP A 403 -10.268 19.807 -24.054 1.00 0.00 C ATOM 741 CG ASP A 403 -9.966 21.091 -24.802 1.00 0.00 C ATOM 742 OD1 ASP A 403 -8.933 21.724 -24.500 1.00 0.00 O ATOM 743 OD2 ASP A 403 -10.763 21.463 -25.689 1.00 0.00 O ATOM 0 H ASP A 403 -10.562 17.340 -24.045 1.00 0.00 H new ATOM 0 HA ASP A 403 -8.442 19.068 -24.912 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -11.138 19.326 -24.501 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -10.529 20.044 -23.022 1.00 0.00 H new ATOM 748 N ARG A 404 -8.504 18.071 -21.840 1.00 0.00 N ATOM 749 CA ARG A 404 -7.795 18.101 -20.566 1.00 0.00 C ATOM 750 C ARG A 404 -6.520 17.266 -20.633 1.00 0.00 C ATOM 751 O ARG A 404 -5.417 17.785 -20.462 1.00 0.00 O ATOM 752 CB ARG A 404 -8.698 17.584 -19.444 1.00 0.00 C ATOM 753 CG ARG A 404 -8.001 17.491 -18.096 1.00 0.00 C ATOM 754 CD ARG A 404 -8.614 18.448 -17.086 1.00 0.00 C ATOM 755 NE ARG A 404 -8.629 17.886 -15.738 1.00 0.00 N ATOM 756 CZ ARG A 404 -9.514 16.984 -15.328 1.00 0.00 C ATOM 757 NH1 ARG A 404 -10.450 16.545 -16.157 1.00 0.00 N ATOM 758 NH2 ARG A 404 -9.462 16.520 -14.086 1.00 0.00 N ATOM 0 H ARG A 404 -9.172 17.306 -21.934 1.00 0.00 H new ATOM 0 HA ARG A 404 -7.520 19.135 -20.356 1.00 0.00 H new ATOM 0 HB2 ARG A 404 -9.562 18.242 -19.352 1.00 0.00 H new ATOM 0 HB3 ARG A 404 -9.075 16.599 -19.717 1.00 0.00 H new ATOM 0 HG2 ARG A 404 -8.069 16.470 -17.720 1.00 0.00 H new ATOM 0 HG3 ARG A 404 -6.941 17.717 -18.216 1.00 0.00 H new ATOM 0 HD2 ARG A 404 -8.051 19.381 -17.083 1.00 0.00 H new ATOM 0 HD3 ARG A 404 -9.633 18.691 -17.389 1.00 0.00 H new ATOM 0 HE ARG A 404 -7.921 18.203 -15.075 1.00 0.00 H new ATOM 0 HH11 ARG A 404 -10.492 16.900 -17.112 1.00 0.00 H new ATOM 0 HH12 ARG A 404 -11.128 15.852 -15.840 1.00 0.00 H new ATOM 0 HH21 ARG A 404 -8.742 16.856 -13.446 1.00 0.00 H new ATOM 0 HH22 ARG A 404 -10.142 15.827 -13.771 1.00 0.00 H new ATOM 772 N MET A 405 -6.679 15.970 -20.883 1.00 0.00 N ATOM 773 CA MET A 405 -5.541 15.064 -20.973 1.00 0.00 C ATOM 774 C MET A 405 -4.494 15.602 -21.944 1.00 0.00 C ATOM 775 O MET A 405 -3.299 15.350 -21.785 1.00 0.00 O ATOM 776 CB MET A 405 -6.001 13.675 -21.420 1.00 0.00 C ATOM 777 CG MET A 405 -6.755 13.680 -22.740 1.00 0.00 C ATOM 778 SD MET A 405 -5.672 13.424 -24.159 1.00 0.00 S ATOM 779 CE MET A 405 -5.027 11.791 -23.802 1.00 0.00 C ATOM 0 H MET A 405 -7.585 15.524 -21.027 1.00 0.00 H new ATOM 0 HA MET A 405 -5.090 14.988 -19.984 1.00 0.00 H new ATOM 0 HB2 MET A 405 -5.131 13.025 -21.510 1.00 0.00 H new ATOM 0 HB3 MET A 405 -6.640 13.247 -20.648 1.00 0.00 H new ATOM 0 HG2 MET A 405 -7.515 12.899 -22.723 1.00 0.00 H new ATOM 0 HG3 MET A 405 -7.277 14.630 -22.853 1.00 0.00 H new ATOM 0 HE1 MET A 405 -3.939 11.807 -23.869 1.00 0.00 H new ATOM 0 HE2 MET A 405 -5.325 11.494 -22.796 1.00 0.00 H new ATOM 0 HE3 MET A 405 -5.424 11.077 -24.523 1.00 0.00 H new ATOM 789 N SER A 406 -4.950 16.343 -22.948 1.00 0.00 N ATOM 790 CA SER A 406 -4.052 16.913 -23.947 1.00 0.00 C ATOM 791 C SER A 406 -3.023 17.830 -23.292 1.00 0.00 C ATOM 792 O SER A 406 -1.881 17.920 -23.742 1.00 0.00 O ATOM 793 CB SER A 406 -4.850 17.689 -24.996 1.00 0.00 C ATOM 794 OG SER A 406 -4.079 18.745 -25.543 1.00 0.00 O ATOM 0 H SER A 406 -5.935 16.563 -23.092 1.00 0.00 H new ATOM 0 HA SER A 406 -3.524 16.094 -24.435 1.00 0.00 H new ATOM 0 HB2 SER A 406 -5.164 17.014 -25.792 1.00 0.00 H new ATOM 0 HB3 SER A 406 -5.756 18.092 -24.544 1.00 0.00 H new ATOM 0 HG SER A 406 -4.610 19.225 -26.212 1.00 0.00 H new ATOM 800 N TYR A 407 -3.437 18.507 -22.227 1.00 0.00 N ATOM 801 CA TYR A 407 -2.553 19.419 -21.511 1.00 0.00 C ATOM 802 C TYR A 407 -1.851 18.706 -20.360 1.00 0.00 C ATOM 803 O TYR A 407 -0.808 19.152 -19.881 1.00 0.00 O ATOM 804 CB TYR A 407 -3.344 20.615 -20.977 1.00 0.00 C ATOM 805 CG TYR A 407 -3.992 21.446 -22.062 1.00 0.00 C ATOM 806 CD1 TYR A 407 -3.272 21.844 -23.182 1.00 0.00 C ATOM 807 CD2 TYR A 407 -5.323 21.831 -21.968 1.00 0.00 C ATOM 808 CE1 TYR A 407 -3.860 22.604 -24.175 1.00 0.00 C ATOM 809 CE2 TYR A 407 -5.919 22.589 -22.957 1.00 0.00 C ATOM 810 CZ TYR A 407 -5.183 22.974 -24.058 1.00 0.00 C ATOM 811 OH TYR A 407 -5.773 23.729 -25.046 1.00 0.00 O ATOM 0 H TYR A 407 -4.379 18.442 -21.841 1.00 0.00 H new ATOM 0 HA TYR A 407 -1.796 19.774 -22.210 1.00 0.00 H new ATOM 0 HB2 TYR A 407 -4.116 20.255 -20.297 1.00 0.00 H new ATOM 0 HB3 TYR A 407 -2.677 21.250 -20.394 1.00 0.00 H new ATOM 0 HD1 TYR A 407 -2.236 21.555 -23.278 1.00 0.00 H new ATOM 0 HD2 TYR A 407 -5.902 21.533 -21.107 1.00 0.00 H new ATOM 0 HE1 TYR A 407 -3.286 22.907 -25.038 1.00 0.00 H new ATOM 0 HE2 TYR A 407 -6.956 22.879 -22.869 1.00 0.00 H new ATOM 0 HH TYR A 407 -6.708 23.903 -24.811 1.00 0.00 H new ATOM 821 N HIS A 408 -2.430 17.593 -19.921 1.00 0.00 N ATOM 822 CA HIS A 408 -1.859 16.815 -18.827 1.00 0.00 C ATOM 823 C HIS A 408 -0.732 15.917 -19.328 1.00 0.00 C ATOM 824 O HIS A 408 0.175 15.563 -18.575 1.00 0.00 O ATOM 825 CB HIS A 408 -2.942 15.968 -18.157 1.00 0.00 C ATOM 826 CG HIS A 408 -2.405 14.993 -17.155 1.00 0.00 C ATOM 827 ND1 HIS A 408 -2.352 15.256 -15.802 1.00 0.00 N ATOM 828 CD2 HIS A 408 -1.897 13.749 -17.314 1.00 0.00 C ATOM 829 CE1 HIS A 408 -1.833 14.217 -15.173 1.00 0.00 C ATOM 830 NE2 HIS A 408 -1.549 13.288 -16.068 1.00 0.00 N ATOM 0 H HIS A 408 -3.293 17.210 -20.306 1.00 0.00 H new ATOM 0 HA HIS A 408 -1.447 17.511 -18.096 1.00 0.00 H new ATOM 0 HB2 HIS A 408 -3.655 16.629 -17.663 1.00 0.00 H new ATOM 0 HB3 HIS A 408 -3.492 15.423 -18.924 1.00 0.00 H new ATOM 0 HD1 HIS A 408 -2.665 16.119 -15.357 1.00 0.00 H new ATOM 0 HD2 HIS A 408 -1.786 13.217 -18.247 1.00 0.00 H new ATOM 0 HE1 HIS A 408 -1.669 14.140 -14.108 1.00 0.00 H new ATOM 838 N VAL A 409 -0.797 15.551 -20.605 1.00 0.00 N ATOM 839 CA VAL A 409 0.218 14.695 -21.207 1.00 0.00 C ATOM 840 C VAL A 409 1.421 15.509 -21.668 1.00 0.00 C ATOM 841 O VAL A 409 2.540 15.306 -21.195 1.00 0.00 O ATOM 842 CB VAL A 409 -0.348 13.912 -22.406 1.00 0.00 C ATOM 843 CG1 VAL A 409 0.734 13.053 -23.042 1.00 0.00 C ATOM 844 CG2 VAL A 409 -1.532 13.059 -21.975 1.00 0.00 C ATOM 0 H VAL A 409 -1.542 15.834 -21.242 1.00 0.00 H new ATOM 0 HA VAL A 409 0.534 13.990 -20.438 1.00 0.00 H new ATOM 0 HB VAL A 409 -0.697 14.627 -23.152 1.00 0.00 H new ATOM 0 HG11 VAL A 409 0.315 12.507 -23.887 1.00 0.00 H new ATOM 0 HG12 VAL A 409 1.548 13.690 -23.389 1.00 0.00 H new ATOM 0 HG13 VAL A 409 1.116 12.345 -22.306 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -1.919 12.513 -22.835 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.212 12.352 -21.210 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.315 13.701 -21.571 1.00 0.00 H new ATOM 854 N ARG A 410 1.184 16.433 -22.594 1.00 0.00 N ATOM 855 CA ARG A 410 2.249 17.279 -23.120 1.00 0.00 C ATOM 856 C ARG A 410 3.023 17.946 -21.987 1.00 0.00 C ATOM 857 O ARG A 410 4.236 18.134 -22.077 1.00 0.00 O ATOM 858 CB ARG A 410 1.669 18.344 -24.052 1.00 0.00 C ATOM 859 CG ARG A 410 0.797 17.775 -25.159 1.00 0.00 C ATOM 860 CD ARG A 410 1.475 17.888 -26.516 1.00 0.00 C ATOM 861 NE ARG A 410 0.510 17.890 -27.612 1.00 0.00 N ATOM 862 CZ ARG A 410 -0.224 18.947 -27.942 1.00 0.00 C ATOM 863 NH1 ARG A 410 -0.103 20.081 -27.266 1.00 0.00 N ATOM 864 NH2 ARG A 410 -1.081 18.871 -28.952 1.00 0.00 N ATOM 0 H ARG A 410 0.264 16.615 -22.995 1.00 0.00 H new ATOM 0 HA ARG A 410 2.936 16.648 -23.684 1.00 0.00 H new ATOM 0 HB2 ARG A 410 1.081 19.048 -23.464 1.00 0.00 H new ATOM 0 HB3 ARG A 410 2.488 18.908 -24.499 1.00 0.00 H new ATOM 0 HG2 ARG A 410 0.575 16.729 -24.948 1.00 0.00 H new ATOM 0 HG3 ARG A 410 -0.156 18.304 -25.182 1.00 0.00 H new ATOM 0 HD2 ARG A 410 2.065 18.804 -26.551 1.00 0.00 H new ATOM 0 HD3 ARG A 410 2.168 17.057 -26.645 1.00 0.00 H new ATOM 0 HE ARG A 410 0.393 17.034 -28.153 1.00 0.00 H new ATOM 0 HH11 ARG A 410 0.555 20.144 -26.490 1.00 0.00 H new ATOM 0 HH12 ARG A 410 -0.668 20.890 -27.522 1.00 0.00 H new ATOM 0 HH21 ARG A 410 -1.177 18.001 -29.475 1.00 0.00 H new ATOM 0 HH22 ARG A 410 -1.644 19.683 -29.205 1.00 0.00 H new ATOM 878 N SER A 411 2.313 18.302 -20.921 1.00 0.00 N ATOM 879 CA SER A 411 2.932 18.952 -19.772 1.00 0.00 C ATOM 880 C SER A 411 4.135 18.154 -19.279 1.00 0.00 C ATOM 881 O SER A 411 5.090 18.716 -18.741 1.00 0.00 O ATOM 882 CB SER A 411 1.915 19.114 -18.641 1.00 0.00 C ATOM 883 OG SER A 411 2.543 19.551 -17.449 1.00 0.00 O ATOM 0 H SER A 411 1.308 18.151 -20.829 1.00 0.00 H new ATOM 0 HA SER A 411 3.276 19.938 -20.086 1.00 0.00 H new ATOM 0 HB2 SER A 411 1.149 19.831 -18.936 1.00 0.00 H new ATOM 0 HB3 SER A 411 1.410 18.164 -18.463 1.00 0.00 H new ATOM 0 HG SER A 411 1.871 19.648 -16.742 1.00 0.00 H new ATOM 889 N HIS A 412 4.082 16.839 -19.467 1.00 0.00 N ATOM 890 CA HIS A 412 5.167 15.962 -19.042 1.00 0.00 C ATOM 891 C HIS A 412 6.315 15.991 -20.047 1.00 0.00 C ATOM 892 O HIS A 412 7.485 16.036 -19.667 1.00 0.00 O ATOM 893 CB HIS A 412 4.657 14.530 -18.875 1.00 0.00 C ATOM 894 CG HIS A 412 3.564 14.398 -17.860 1.00 0.00 C ATOM 895 ND1 HIS A 412 3.639 14.948 -16.598 1.00 0.00 N ATOM 896 CD2 HIS A 412 2.364 13.775 -17.927 1.00 0.00 C ATOM 897 CE1 HIS A 412 2.533 14.668 -15.932 1.00 0.00 C ATOM 898 NE2 HIS A 412 1.742 13.958 -16.716 1.00 0.00 N ATOM 0 H HIS A 412 3.300 16.358 -19.911 1.00 0.00 H new ATOM 0 HA HIS A 412 5.538 16.323 -18.083 1.00 0.00 H new ATOM 0 HB2 HIS A 412 4.294 14.168 -19.837 1.00 0.00 H new ATOM 0 HB3 HIS A 412 5.489 13.888 -18.586 1.00 0.00 H new ATOM 0 HD2 HIS A 412 1.969 13.235 -18.775 1.00 0.00 H new ATOM 0 HE1 HIS A 412 2.313 14.969 -14.918 1.00 0.00 H new ATOM 0 HE2 HIS A 412 0.820 13.603 -16.463 1.00 0.00 H new ATOM 959 N LYS A 418 15.110 10.514 -28.837 1.00 0.00 N ATOM 960 CA LYS A 418 15.381 9.903 -30.132 1.00 0.00 C ATOM 961 C LYS A 418 16.015 10.910 -31.087 1.00 0.00 C ATOM 962 O LYS A 418 15.925 12.123 -30.897 1.00 0.00 O ATOM 963 CB LYS A 418 14.089 9.351 -30.740 1.00 0.00 C ATOM 964 CG LYS A 418 13.775 7.928 -30.311 1.00 0.00 C ATOM 965 CD LYS A 418 13.705 7.804 -28.798 1.00 0.00 C ATOM 966 CE LYS A 418 12.738 6.709 -28.373 1.00 0.00 C ATOM 967 NZ LYS A 418 12.553 6.676 -26.896 1.00 0.00 N ATOM 0 HA LYS A 418 16.082 9.083 -29.979 1.00 0.00 H new ATOM 0 HB2 LYS A 418 13.259 9.998 -30.458 1.00 0.00 H new ATOM 0 HB3 LYS A 418 14.165 9.386 -31.827 1.00 0.00 H new ATOM 0 HG2 LYS A 418 12.826 7.617 -30.747 1.00 0.00 H new ATOM 0 HG3 LYS A 418 14.539 7.254 -30.697 1.00 0.00 H new ATOM 0 HD2 LYS A 418 14.698 7.588 -28.403 1.00 0.00 H new ATOM 0 HD3 LYS A 418 13.391 8.755 -28.368 1.00 0.00 H new ATOM 0 HE2 LYS A 418 11.774 6.868 -28.856 1.00 0.00 H new ATOM 0 HE3 LYS A 418 13.110 5.743 -28.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 11.887 5.917 -26.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 13.468 6.499 -26.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 12.174 7.589 -26.573 1.00 0.00 H new ATOM 981 N PRO A 419 16.669 10.398 -32.140 1.00 0.00 N ATOM 982 CA PRO A 419 17.328 11.236 -33.146 1.00 0.00 C ATOM 983 C PRO A 419 16.330 11.996 -34.012 1.00 0.00 C ATOM 984 O PRO A 419 16.487 13.193 -34.253 1.00 0.00 O ATOM 985 CB PRO A 419 18.110 10.227 -33.991 1.00 0.00 C ATOM 986 CG PRO A 419 17.373 8.943 -33.826 1.00 0.00 C ATOM 987 CD PRO A 419 16.816 8.961 -32.429 1.00 0.00 C ATOM 0 HA PRO A 419 17.951 12.005 -32.690 1.00 0.00 H new ATOM 0 HB2 PRO A 419 18.147 10.531 -35.037 1.00 0.00 H new ATOM 0 HB3 PRO A 419 19.141 10.139 -33.649 1.00 0.00 H new ATOM 0 HG2 PRO A 419 16.575 8.854 -34.563 1.00 0.00 H new ATOM 0 HG3 PRO A 419 18.037 8.091 -33.970 1.00 0.00 H new ATOM 0 HD2 PRO A 419 15.861 8.439 -32.370 1.00 0.00 H new ATOM 0 HD3 PRO A 419 17.488 8.475 -31.722 1.00 0.00 H new ATOM 995 N TYR A 420 15.302 11.293 -34.477 1.00 0.00 N ATOM 996 CA TYR A 420 14.279 11.901 -35.318 1.00 0.00 C ATOM 997 C TYR A 420 12.948 11.992 -34.577 1.00 0.00 C ATOM 998 O TYR A 420 12.539 11.052 -33.895 1.00 0.00 O ATOM 999 CB TYR A 420 14.104 11.097 -36.607 1.00 0.00 C ATOM 1000 CG TYR A 420 15.388 10.910 -37.383 1.00 0.00 C ATOM 1001 CD1 TYR A 420 16.014 11.986 -37.999 1.00 0.00 C ATOM 1002 CD2 TYR A 420 15.976 9.656 -37.499 1.00 0.00 C ATOM 1003 CE1 TYR A 420 17.187 11.819 -38.709 1.00 0.00 C ATOM 1004 CE2 TYR A 420 17.149 9.480 -38.206 1.00 0.00 C ATOM 1005 CZ TYR A 420 17.751 10.564 -38.810 1.00 0.00 C ATOM 1006 OH TYR A 420 18.920 10.394 -39.516 1.00 0.00 O ATOM 0 H TYR A 420 15.156 10.302 -34.285 1.00 0.00 H new ATOM 0 HA TYR A 420 14.604 12.911 -35.569 1.00 0.00 H new ATOM 0 HB2 TYR A 420 13.692 10.118 -36.362 1.00 0.00 H new ATOM 0 HB3 TYR A 420 13.375 11.600 -37.243 1.00 0.00 H new ATOM 0 HD1 TYR A 420 15.576 12.970 -37.922 1.00 0.00 H new ATOM 0 HD2 TYR A 420 15.507 8.805 -37.028 1.00 0.00 H new ATOM 0 HE1 TYR A 420 17.660 12.666 -39.183 1.00 0.00 H new ATOM 0 HE2 TYR A 420 17.593 8.499 -38.286 1.00 0.00 H new ATOM 0 HH TYR A 420 19.184 9.451 -39.489 1.00 0.00 H new ATOM 1016 N ILE A 421 12.277 13.130 -34.717 1.00 0.00 N ATOM 1017 CA ILE A 421 10.992 13.344 -34.064 1.00 0.00 C ATOM 1018 C ILE A 421 9.950 13.853 -35.054 1.00 0.00 C ATOM 1019 O ILE A 421 10.272 14.582 -35.992 1.00 0.00 O ATOM 1020 CB ILE A 421 11.112 14.347 -32.901 1.00 0.00 C ATOM 1021 CG1 ILE A 421 11.766 15.643 -33.382 1.00 0.00 C ATOM 1022 CG2 ILE A 421 11.908 13.738 -31.756 1.00 0.00 C ATOM 1023 CD1 ILE A 421 13.276 15.624 -33.302 1.00 0.00 C ATOM 0 H ILE A 421 12.602 13.918 -35.277 1.00 0.00 H new ATOM 0 HA ILE A 421 10.674 12.379 -33.670 1.00 0.00 H new ATOM 0 HB ILE A 421 10.111 14.581 -32.538 1.00 0.00 H new ATOM 0 HG12 ILE A 421 11.467 15.830 -34.413 1.00 0.00 H new ATOM 0 HG13 ILE A 421 11.389 16.474 -32.785 1.00 0.00 H new ATOM 0 HG21 ILE A 421 11.984 14.459 -30.942 1.00 0.00 H new ATOM 0 HG22 ILE A 421 11.404 12.840 -31.399 1.00 0.00 H new ATOM 0 HG23 ILE A 421 12.907 13.478 -32.105 1.00 0.00 H new ATOM 0 HD11 ILE A 421 13.671 16.575 -33.659 1.00 0.00 H new ATOM 0 HD12 ILE A 421 13.584 15.468 -32.268 1.00 0.00 H new ATOM 0 HD13 ILE A 421 13.663 14.815 -33.921 1.00 0.00 H new ATOM 1035 N CYS A 422 8.697 13.466 -34.837 1.00 0.00 N ATOM 1036 CA CYS A 422 7.605 13.884 -35.708 1.00 0.00 C ATOM 1037 C CYS A 422 7.600 15.399 -35.885 1.00 0.00 C ATOM 1038 O CYS A 422 8.162 16.131 -35.070 1.00 0.00 O ATOM 1039 CB CYS A 422 6.263 13.421 -35.137 1.00 0.00 C ATOM 1040 SG CYS A 422 4.910 13.383 -36.356 1.00 0.00 S ATOM 0 H CYS A 422 8.413 12.863 -34.065 1.00 0.00 H new ATOM 0 HA CYS A 422 7.755 13.423 -36.684 1.00 0.00 H new ATOM 0 HB2 CYS A 422 6.385 12.424 -34.714 1.00 0.00 H new ATOM 0 HB3 CYS A 422 5.981 14.082 -34.318 1.00 0.00 H new ATOM 0 HG CYS A 422 3.779 13.606 -35.756 1.00 0.00 H new ATOM 1045 N GLN A 423 6.961 15.863 -36.955 1.00 0.00 N ATOM 1046 CA GLN A 423 6.883 17.291 -37.238 1.00 0.00 C ATOM 1047 C GLN A 423 5.613 17.894 -36.649 1.00 0.00 C ATOM 1048 O GLN A 423 5.419 19.109 -36.680 1.00 0.00 O ATOM 1049 CB GLN A 423 6.926 17.535 -38.748 1.00 0.00 C ATOM 1050 CG GLN A 423 5.703 17.013 -39.484 1.00 0.00 C ATOM 1051 CD GLN A 423 5.832 17.133 -40.989 1.00 0.00 C ATOM 1052 OE1 GLN A 423 5.703 16.147 -41.715 1.00 0.00 O ATOM 1053 NE2 GLN A 423 6.088 18.345 -41.467 1.00 0.00 N ATOM 0 H GLN A 423 6.490 15.271 -37.639 1.00 0.00 H new ATOM 0 HA GLN A 423 7.742 17.776 -36.774 1.00 0.00 H new ATOM 0 HB2 GLN A 423 7.021 18.605 -38.932 1.00 0.00 H new ATOM 0 HB3 GLN A 423 7.817 17.060 -39.159 1.00 0.00 H new ATOM 0 HG2 GLN A 423 5.543 15.968 -39.219 1.00 0.00 H new ATOM 0 HG3 GLN A 423 4.822 17.564 -39.154 1.00 0.00 H new ATOM 0 HE21 GLN A 423 6.187 19.134 -40.829 1.00 0.00 H new ATOM 0 HE22 GLN A 423 6.185 18.487 -42.472 1.00 0.00 H new ATOM 1062 N SER A 424 4.749 17.037 -36.114 1.00 0.00 N ATOM 1063 CA SER A 424 3.495 17.485 -35.521 1.00 0.00 C ATOM 1064 C SER A 424 3.526 17.334 -34.003 1.00 0.00 C ATOM 1065 O SER A 424 3.675 18.315 -33.273 1.00 0.00 O ATOM 1066 CB SER A 424 2.321 16.693 -36.099 1.00 0.00 C ATOM 1067 OG SER A 424 1.784 17.337 -37.242 1.00 0.00 O ATOM 0 H SER A 424 4.895 16.028 -36.079 1.00 0.00 H new ATOM 0 HA SER A 424 3.366 18.540 -35.761 1.00 0.00 H new ATOM 0 HB2 SER A 424 2.652 15.689 -36.365 1.00 0.00 H new ATOM 0 HB3 SER A 424 1.545 16.583 -35.342 1.00 0.00 H new ATOM 0 HG SER A 424 1.036 16.810 -37.593 1.00 0.00 H new ATOM 1073 N CYS A 425 3.385 16.099 -33.535 1.00 0.00 N ATOM 1074 CA CYS A 425 3.397 15.817 -32.105 1.00 0.00 C ATOM 1075 C CYS A 425 4.820 15.847 -31.556 1.00 0.00 C ATOM 1076 O CYS A 425 5.029 15.942 -30.347 1.00 0.00 O ATOM 1077 CB CYS A 425 2.760 14.453 -31.827 1.00 0.00 C ATOM 1078 SG CYS A 425 3.615 13.058 -32.627 1.00 0.00 S ATOM 0 H CYS A 425 3.261 15.277 -34.126 1.00 0.00 H new ATOM 0 HA CYS A 425 2.816 16.591 -31.603 1.00 0.00 H new ATOM 0 HB2 CYS A 425 2.742 14.285 -30.750 1.00 0.00 H new ATOM 0 HB3 CYS A 425 1.724 14.472 -32.164 1.00 0.00 H new ATOM 0 HG CYS A 425 2.793 12.447 -33.428 1.00 0.00 H new ATOM 1083 N GLY A 426 5.797 15.766 -32.454 1.00 0.00 N ATOM 1084 CA GLY A 426 7.188 15.785 -32.041 1.00 0.00 C ATOM 1085 C GLY A 426 7.472 14.812 -30.914 1.00 0.00 C ATOM 1086 O GLY A 426 7.935 15.207 -29.844 1.00 0.00 O ATOM 0 H GLY A 426 5.650 15.688 -33.460 1.00 0.00 H new ATOM 0 HA2 GLY A 426 7.821 15.542 -32.895 1.00 0.00 H new ATOM 0 HA3 GLY A 426 7.456 16.793 -31.723 1.00 0.00 H new ATOM 1090 N LYS A 427 7.194 13.535 -31.154 1.00 0.00 N ATOM 1091 CA LYS A 427 7.422 12.501 -30.151 1.00 0.00 C ATOM 1092 C LYS A 427 8.865 12.007 -30.197 1.00 0.00 C ATOM 1093 O LYS A 427 9.679 12.361 -29.345 1.00 0.00 O ATOM 1094 CB LYS A 427 6.464 11.328 -30.372 1.00 0.00 C ATOM 1095 CG LYS A 427 6.672 10.181 -29.398 1.00 0.00 C ATOM 1096 CD LYS A 427 5.498 9.217 -29.413 1.00 0.00 C ATOM 1097 CE LYS A 427 4.858 9.097 -28.038 1.00 0.00 C ATOM 1098 NZ LYS A 427 5.743 8.386 -27.075 1.00 0.00 N ATOM 0 H LYS A 427 6.810 13.191 -32.034 1.00 0.00 H new ATOM 0 HA LYS A 427 7.236 12.935 -29.169 1.00 0.00 H new ATOM 0 HB2 LYS A 427 5.438 11.686 -30.285 1.00 0.00 H new ATOM 0 HB3 LYS A 427 6.586 10.956 -31.389 1.00 0.00 H new ATOM 0 HG2 LYS A 427 7.586 9.646 -29.654 1.00 0.00 H new ATOM 0 HG3 LYS A 427 6.806 10.577 -28.391 1.00 0.00 H new ATOM 0 HD2 LYS A 427 4.754 9.559 -30.133 1.00 0.00 H new ATOM 0 HD3 LYS A 427 5.836 8.235 -29.745 1.00 0.00 H new ATOM 0 HE2 LYS A 427 4.630 10.092 -27.655 1.00 0.00 H new ATOM 0 HE3 LYS A 427 3.911 8.564 -28.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 5.271 8.325 -26.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 5.940 7.428 -27.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 6.637 8.908 -26.974 1.00 0.00 H new ATOM 1112 N GLY A 428 9.174 11.189 -31.198 1.00 0.00 N ATOM 1113 CA GLY A 428 10.519 10.662 -31.336 1.00 0.00 C ATOM 1114 C GLY A 428 10.533 9.168 -31.591 1.00 0.00 C ATOM 1115 O GLY A 428 9.897 8.402 -30.867 1.00 0.00 O ATOM 0 H GLY A 428 8.517 10.882 -31.916 1.00 0.00 H new ATOM 0 HA2 GLY A 428 11.023 11.172 -32.157 1.00 0.00 H new ATOM 0 HA3 GLY A 428 11.085 10.878 -30.430 1.00 0.00 H new ATOM 1119 N PHE A 429 11.260 8.752 -32.623 1.00 0.00 N ATOM 1120 CA PHE A 429 11.352 7.339 -32.972 1.00 0.00 C ATOM 1121 C PHE A 429 12.808 6.910 -33.125 1.00 0.00 C ATOM 1122 O PHE A 429 13.631 7.650 -33.664 1.00 0.00 O ATOM 1123 CB PHE A 429 10.588 7.062 -34.269 1.00 0.00 C ATOM 1124 CG PHE A 429 9.096 7.120 -34.110 1.00 0.00 C ATOM 1125 CD1 PHE A 429 8.439 8.338 -34.047 1.00 0.00 C ATOM 1126 CD2 PHE A 429 8.350 5.955 -34.023 1.00 0.00 C ATOM 1127 CE1 PHE A 429 7.066 8.395 -33.901 1.00 0.00 C ATOM 1128 CE2 PHE A 429 6.976 6.006 -33.877 1.00 0.00 C ATOM 1129 CZ PHE A 429 6.334 7.227 -33.815 1.00 0.00 C ATOM 0 H PHE A 429 11.794 9.373 -33.232 1.00 0.00 H new ATOM 0 HA PHE A 429 10.904 6.761 -32.164 1.00 0.00 H new ATOM 0 HB2 PHE A 429 10.893 7.787 -35.023 1.00 0.00 H new ATOM 0 HB3 PHE A 429 10.868 6.077 -34.643 1.00 0.00 H new ATOM 0 HD1 PHE A 429 9.007 9.254 -34.113 1.00 0.00 H new ATOM 0 HD2 PHE A 429 8.847 4.997 -34.070 1.00 0.00 H new ATOM 0 HE1 PHE A 429 6.566 9.351 -33.854 1.00 0.00 H new ATOM 0 HE2 PHE A 429 6.405 5.091 -33.811 1.00 0.00 H new ATOM 0 HZ PHE A 429 5.261 7.269 -33.699 1.00 0.00 H new ATOM 1139 N SER A 430 13.119 5.710 -32.646 1.00 0.00 N ATOM 1140 CA SER A 430 14.476 5.183 -32.724 1.00 0.00 C ATOM 1141 C SER A 430 15.008 5.263 -34.152 1.00 0.00 C ATOM 1142 O SER A 430 16.047 5.872 -34.406 1.00 0.00 O ATOM 1143 CB SER A 430 14.513 3.734 -32.235 1.00 0.00 C ATOM 1144 OG SER A 430 13.214 3.167 -32.222 1.00 0.00 O ATOM 0 H SER A 430 12.449 5.084 -32.199 1.00 0.00 H new ATOM 0 HA SER A 430 15.113 5.792 -32.082 1.00 0.00 H new ATOM 0 HB2 SER A 430 15.164 3.145 -32.881 1.00 0.00 H new ATOM 0 HB3 SER A 430 14.940 3.696 -31.233 1.00 0.00 H new ATOM 0 HG SER A 430 13.265 2.240 -31.907 1.00 0.00 H new ATOM 1150 N ARG A 431 14.287 4.642 -35.081 1.00 0.00 N ATOM 1151 CA ARG A 431 14.686 4.641 -36.483 1.00 0.00 C ATOM 1152 C ARG A 431 13.838 5.619 -37.290 1.00 0.00 C ATOM 1153 O ARG A 431 12.750 6.022 -36.878 1.00 0.00 O ATOM 1154 CB ARG A 431 14.560 3.234 -37.070 1.00 0.00 C ATOM 1155 CG ARG A 431 15.876 2.475 -37.122 1.00 0.00 C ATOM 1156 CD ARG A 431 16.221 1.867 -35.772 1.00 0.00 C ATOM 1157 NE ARG A 431 16.798 0.532 -35.905 1.00 0.00 N ATOM 1158 CZ ARG A 431 18.049 0.306 -36.290 1.00 0.00 C ATOM 1159 NH1 ARG A 431 18.851 1.323 -36.578 1.00 0.00 N ATOM 1160 NH2 ARG A 431 18.501 -0.937 -36.387 1.00 0.00 N ATOM 0 H ARG A 431 13.424 4.134 -34.887 1.00 0.00 H new ATOM 0 HA ARG A 431 15.727 4.958 -36.539 1.00 0.00 H new ATOM 0 HB2 ARG A 431 13.845 2.664 -36.476 1.00 0.00 H new ATOM 0 HB3 ARG A 431 14.152 3.305 -38.078 1.00 0.00 H new ATOM 0 HG2 ARG A 431 15.813 1.687 -37.872 1.00 0.00 H new ATOM 0 HG3 ARG A 431 16.674 3.149 -37.434 1.00 0.00 H new ATOM 0 HD2 ARG A 431 16.925 2.516 -35.251 1.00 0.00 H new ATOM 0 HD3 ARG A 431 15.322 1.814 -35.158 1.00 0.00 H new ATOM 0 HE ARG A 431 16.208 -0.272 -35.690 1.00 0.00 H new ATOM 0 HH11 ARG A 431 18.507 2.280 -36.504 1.00 0.00 H new ATOM 0 HH12 ARG A 431 19.811 1.147 -36.873 1.00 0.00 H new ATOM 0 HH21 ARG A 431 17.888 -1.721 -36.166 1.00 0.00 H new ATOM 0 HH22 ARG A 431 19.462 -1.109 -36.683 1.00 0.00 H new ATOM 1174 N PRO A 432 14.346 6.011 -38.468 1.00 0.00 N ATOM 1175 CA PRO A 432 13.651 6.947 -39.358 1.00 0.00 C ATOM 1176 C PRO A 432 12.407 6.331 -39.989 1.00 0.00 C ATOM 1177 O PRO A 432 11.337 6.940 -39.995 1.00 0.00 O ATOM 1178 CB PRO A 432 14.697 7.258 -40.431 1.00 0.00 C ATOM 1179 CG PRO A 432 15.596 6.070 -40.440 1.00 0.00 C ATOM 1180 CD PRO A 432 15.638 5.572 -39.022 1.00 0.00 C ATOM 0 HA PRO A 432 13.293 7.827 -38.825 1.00 0.00 H new ATOM 0 HB2 PRO A 432 14.232 7.410 -41.405 1.00 0.00 H new ATOM 0 HB3 PRO A 432 15.247 8.169 -40.195 1.00 0.00 H new ATOM 0 HG2 PRO A 432 15.219 5.300 -41.113 1.00 0.00 H new ATOM 0 HG3 PRO A 432 16.593 6.338 -40.789 1.00 0.00 H new ATOM 0 HD2 PRO A 432 15.746 4.488 -38.980 1.00 0.00 H new ATOM 0 HD3 PRO A 432 16.477 5.998 -38.471 1.00 0.00 H new ATOM 1188 N ASP A 433 12.554 5.121 -40.517 1.00 0.00 N ATOM 1189 CA ASP A 433 11.441 4.422 -41.149 1.00 0.00 C ATOM 1190 C ASP A 433 10.245 4.340 -40.206 1.00 0.00 C ATOM 1191 O ASP A 433 9.095 4.311 -40.646 1.00 0.00 O ATOM 1192 CB ASP A 433 11.869 3.016 -41.573 1.00 0.00 C ATOM 1193 CG ASP A 433 11.519 2.715 -43.017 1.00 0.00 C ATOM 1194 OD1 ASP A 433 10.331 2.454 -43.297 1.00 0.00 O ATOM 1195 OD2 ASP A 433 12.434 2.740 -43.868 1.00 0.00 O ATOM 0 H ASP A 433 13.433 4.604 -40.520 1.00 0.00 H new ATOM 0 HA ASP A 433 11.145 4.986 -42.034 1.00 0.00 H new ATOM 0 HB2 ASP A 433 12.945 2.909 -41.433 1.00 0.00 H new ATOM 0 HB3 ASP A 433 11.389 2.282 -40.925 1.00 0.00 H new ATOM 1200 N HIS A 434 10.524 4.303 -38.907 1.00 0.00 N ATOM 1201 CA HIS A 434 9.470 4.224 -37.901 1.00 0.00 C ATOM 1202 C HIS A 434 8.642 5.506 -37.881 1.00 0.00 C ATOM 1203 O HIS A 434 7.425 5.467 -37.695 1.00 0.00 O ATOM 1204 CB HIS A 434 10.073 3.971 -36.519 1.00 0.00 C ATOM 1205 CG HIS A 434 10.711 2.623 -36.382 1.00 0.00 C ATOM 1206 ND1 HIS A 434 10.727 1.914 -35.200 1.00 0.00 N ATOM 1207 CD2 HIS A 434 11.357 1.853 -37.289 1.00 0.00 C ATOM 1208 CE1 HIS A 434 11.356 0.768 -35.384 1.00 0.00 C ATOM 1209 NE2 HIS A 434 11.749 0.706 -36.644 1.00 0.00 N ATOM 0 H HIS A 434 11.470 4.326 -38.526 1.00 0.00 H new ATOM 0 HA HIS A 434 8.815 3.393 -38.161 1.00 0.00 H new ATOM 0 HB2 HIS A 434 10.818 4.739 -36.310 1.00 0.00 H new ATOM 0 HB3 HIS A 434 9.291 4.072 -35.766 1.00 0.00 H new ATOM 0 HD2 HIS A 434 11.532 2.096 -38.327 1.00 0.00 H new ATOM 0 HE1 HIS A 434 11.521 0.010 -34.633 1.00 0.00 H new ATOM 0 HE2 HIS A 434 12.260 -0.068 -37.068 1.00 0.00 H new ATOM 1217 N LEU A 435 9.308 6.638 -38.072 1.00 0.00 N ATOM 1218 CA LEU A 435 8.634 7.932 -38.075 1.00 0.00 C ATOM 1219 C LEU A 435 7.788 8.102 -39.332 1.00 0.00 C ATOM 1220 O LEU A 435 6.705 8.684 -39.289 1.00 0.00 O ATOM 1221 CB LEU A 435 9.659 9.064 -37.979 1.00 0.00 C ATOM 1222 CG LEU A 435 9.095 10.485 -38.021 1.00 0.00 C ATOM 1223 CD1 LEU A 435 8.206 10.743 -36.815 1.00 0.00 C ATOM 1224 CD2 LEU A 435 10.223 11.504 -38.083 1.00 0.00 C ATOM 0 H LEU A 435 10.315 6.687 -38.227 1.00 0.00 H new ATOM 0 HA LEU A 435 7.975 7.973 -37.208 1.00 0.00 H new ATOM 0 HB2 LEU A 435 10.218 8.944 -37.051 1.00 0.00 H new ATOM 0 HB3 LEU A 435 10.371 8.953 -38.797 1.00 0.00 H new ATOM 0 HG LEU A 435 8.489 10.588 -38.921 1.00 0.00 H new ATOM 0 HD11 LEU A 435 7.814 11.759 -36.863 1.00 0.00 H new ATOM 0 HD12 LEU A 435 7.378 10.034 -36.815 1.00 0.00 H new ATOM 0 HD13 LEU A 435 8.788 10.621 -35.901 1.00 0.00 H new ATOM 0 HD21 LEU A 435 9.804 12.510 -38.112 1.00 0.00 H new ATOM 0 HD22 LEU A 435 10.856 11.400 -37.202 1.00 0.00 H new ATOM 0 HD23 LEU A 435 10.819 11.333 -38.980 1.00 0.00 H new ATOM 1236 N ASN A 436 8.289 7.588 -40.451 1.00 0.00 N ATOM 1237 CA ASN A 436 7.578 7.681 -41.721 1.00 0.00 C ATOM 1238 C ASN A 436 6.195 7.043 -41.618 1.00 0.00 C ATOM 1239 O ASN A 436 5.233 7.524 -42.214 1.00 0.00 O ATOM 1240 CB ASN A 436 8.383 7.004 -42.831 1.00 0.00 C ATOM 1241 CG ASN A 436 7.543 6.714 -44.060 1.00 0.00 C ATOM 1242 OD1 ASN A 436 7.437 7.544 -44.963 1.00 0.00 O ATOM 1243 ND2 ASN A 436 6.942 5.530 -44.099 1.00 0.00 N ATOM 0 H ASN A 436 9.185 7.103 -40.504 1.00 0.00 H new ATOM 0 HA ASN A 436 7.455 8.737 -41.964 1.00 0.00 H new ATOM 0 HB2 ASN A 436 9.221 7.643 -43.110 1.00 0.00 H new ATOM 0 HB3 ASN A 436 8.804 6.072 -42.454 1.00 0.00 H new ATOM 0 HD21 ASN A 436 6.364 5.278 -44.901 1.00 0.00 H new ATOM 0 HD22 ASN A 436 7.058 4.873 -43.327 1.00 0.00 H new ATOM 1250 N GLY A 437 6.106 5.956 -40.858 1.00 0.00 N ATOM 1251 CA GLY A 437 4.838 5.270 -40.690 1.00 0.00 C ATOM 1252 C GLY A 437 3.891 6.018 -39.773 1.00 0.00 C ATOM 1253 O GLY A 437 2.679 6.028 -39.994 1.00 0.00 O ATOM 0 H GLY A 437 6.889 5.538 -40.356 1.00 0.00 H new ATOM 0 HA2 GLY A 437 4.367 5.139 -41.664 1.00 0.00 H new ATOM 0 HA3 GLY A 437 5.018 4.274 -40.287 1.00 0.00 H new ATOM 1257 N HIS A 438 4.442 6.645 -38.739 1.00 0.00 N ATOM 1258 CA HIS A 438 3.638 7.398 -37.784 1.00 0.00 C ATOM 1259 C HIS A 438 2.909 8.547 -38.474 1.00 0.00 C ATOM 1260 O HIS A 438 1.763 8.854 -38.145 1.00 0.00 O ATOM 1261 CB HIS A 438 4.519 7.941 -36.658 1.00 0.00 C ATOM 1262 CG HIS A 438 3.825 8.936 -35.780 1.00 0.00 C ATOM 1263 ND1 HIS A 438 3.301 8.614 -34.546 1.00 0.00 N ATOM 1264 CD2 HIS A 438 3.571 10.253 -35.964 1.00 0.00 C ATOM 1265 CE1 HIS A 438 2.754 9.690 -34.009 1.00 0.00 C ATOM 1266 NE2 HIS A 438 2.904 10.698 -34.849 1.00 0.00 N ATOM 0 H HIS A 438 5.443 6.646 -38.541 1.00 0.00 H new ATOM 0 HA HIS A 438 2.896 6.722 -37.360 1.00 0.00 H new ATOM 0 HB2 HIS A 438 4.866 7.108 -36.046 1.00 0.00 H new ATOM 0 HB3 HIS A 438 5.403 8.407 -37.093 1.00 0.00 H new ATOM 0 HD1 HIS A 438 3.331 7.690 -34.115 1.00 0.00 H new ATOM 0 HD2 HIS A 438 3.842 10.843 -36.827 1.00 0.00 H new ATOM 0 HE1 HIS A 438 2.267 9.737 -33.046 1.00 0.00 H new ATOM 1274 N ILE A 439 3.582 9.179 -39.430 1.00 0.00 N ATOM 1275 CA ILE A 439 2.997 10.293 -40.166 1.00 0.00 C ATOM 1276 C ILE A 439 1.959 9.805 -41.170 1.00 0.00 C ATOM 1277 O ILE A 439 1.074 10.556 -41.580 1.00 0.00 O ATOM 1278 CB ILE A 439 4.075 11.102 -40.911 1.00 0.00 C ATOM 1279 CG1 ILE A 439 5.114 11.640 -39.925 1.00 0.00 C ATOM 1280 CG2 ILE A 439 3.437 12.242 -41.691 1.00 0.00 C ATOM 1281 CD1 ILE A 439 6.394 12.100 -40.586 1.00 0.00 C ATOM 0 H ILE A 439 4.532 8.939 -39.713 1.00 0.00 H new ATOM 0 HA ILE A 439 2.513 10.937 -39.432 1.00 0.00 H new ATOM 0 HB ILE A 439 4.580 10.442 -41.617 1.00 0.00 H new ATOM 0 HG12 ILE A 439 4.681 12.473 -39.372 1.00 0.00 H new ATOM 0 HG13 ILE A 439 5.349 10.863 -39.198 1.00 0.00 H new ATOM 0 HG21 ILE A 439 4.212 12.805 -42.212 1.00 0.00 H new ATOM 0 HG22 ILE A 439 2.732 11.836 -42.417 1.00 0.00 H new ATOM 0 HG23 ILE A 439 2.909 12.903 -41.003 1.00 0.00 H new ATOM 0 HD11 ILE A 439 7.084 12.468 -39.827 1.00 0.00 H new ATOM 0 HD12 ILE A 439 6.851 11.264 -41.116 1.00 0.00 H new ATOM 0 HD13 ILE A 439 6.172 12.900 -41.293 1.00 0.00 H new ATOM 1293 N LYS A 440 2.072 8.540 -41.562 1.00 0.00 N ATOM 1294 CA LYS A 440 1.141 7.948 -42.516 1.00 0.00 C ATOM 1295 C LYS A 440 -0.032 7.291 -41.796 1.00 0.00 C ATOM 1296 O LYS A 440 -1.086 7.062 -42.389 1.00 0.00 O ATOM 1297 CB LYS A 440 1.860 6.917 -43.388 1.00 0.00 C ATOM 1298 CG LYS A 440 1.657 7.132 -44.878 1.00 0.00 C ATOM 1299 CD LYS A 440 2.872 7.780 -45.519 1.00 0.00 C ATOM 1300 CE LYS A 440 2.861 7.613 -47.030 1.00 0.00 C ATOM 1301 NZ LYS A 440 3.661 6.434 -47.464 1.00 0.00 N ATOM 0 H LYS A 440 2.799 7.905 -41.234 1.00 0.00 H new ATOM 0 HA LYS A 440 0.754 8.745 -43.151 1.00 0.00 H new ATOM 0 HB2 LYS A 440 2.927 6.948 -43.167 1.00 0.00 H new ATOM 0 HB3 LYS A 440 1.508 5.920 -43.122 1.00 0.00 H new ATOM 0 HG2 LYS A 440 1.457 6.175 -45.360 1.00 0.00 H new ATOM 0 HG3 LYS A 440 0.781 7.760 -45.040 1.00 0.00 H new ATOM 0 HD2 LYS A 440 2.894 8.841 -45.269 1.00 0.00 H new ATOM 0 HD3 LYS A 440 3.780 7.337 -45.110 1.00 0.00 H new ATOM 0 HE2 LYS A 440 1.833 7.501 -47.375 1.00 0.00 H new ATOM 0 HE3 LYS A 440 3.259 8.514 -47.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 3.628 6.355 -48.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 4.648 6.552 -47.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 3.266 5.571 -47.038 1.00 0.00 H new ATOM 1315 N GLN A 441 0.158 6.992 -40.515 1.00 0.00 N ATOM 1316 CA GLN A 441 -0.886 6.363 -39.715 1.00 0.00 C ATOM 1317 C GLN A 441 -1.574 7.385 -38.816 1.00 0.00 C ATOM 1318 O GLN A 441 -2.753 7.690 -38.996 1.00 0.00 O ATOM 1319 CB GLN A 441 -0.296 5.235 -38.865 1.00 0.00 C ATOM 1320 CG GLN A 441 -0.936 3.881 -39.123 1.00 0.00 C ATOM 1321 CD GLN A 441 -0.394 2.796 -38.214 1.00 0.00 C ATOM 1322 OE1 GLN A 441 -0.982 2.486 -37.178 1.00 0.00 O ATOM 1323 NE2 GLN A 441 0.735 2.212 -38.598 1.00 0.00 N ATOM 0 H GLN A 441 1.025 7.175 -40.009 1.00 0.00 H new ATOM 0 HA GLN A 441 -1.629 5.947 -40.396 1.00 0.00 H new ATOM 0 HB2 GLN A 441 0.774 5.165 -39.061 1.00 0.00 H new ATOM 0 HB3 GLN A 441 -0.411 5.487 -37.811 1.00 0.00 H new ATOM 0 HG2 GLN A 441 -2.014 3.961 -38.984 1.00 0.00 H new ATOM 0 HG3 GLN A 441 -0.769 3.596 -40.162 1.00 0.00 H new ATOM 0 HE21 GLN A 441 1.189 2.500 -39.465 1.00 0.00 H new ATOM 0 HE22 GLN A 441 1.148 1.475 -38.026 1.00 0.00 H new ATOM 1332 N VAL A 442 -0.831 7.912 -37.849 1.00 0.00 N ATOM 1333 CA VAL A 442 -1.369 8.900 -36.922 1.00 0.00 C ATOM 1334 C VAL A 442 -1.870 10.134 -37.666 1.00 0.00 C ATOM 1335 O VAL A 442 -3.075 10.372 -37.755 1.00 0.00 O ATOM 1336 CB VAL A 442 -0.315 9.332 -35.886 1.00 0.00 C ATOM 1337 CG1 VAL A 442 -0.886 10.387 -34.951 1.00 0.00 C ATOM 1338 CG2 VAL A 442 0.186 8.128 -35.103 1.00 0.00 C ATOM 0 H VAL A 442 0.147 7.671 -37.687 1.00 0.00 H new ATOM 0 HA VAL A 442 -2.203 8.427 -36.404 1.00 0.00 H new ATOM 0 HB VAL A 442 0.531 9.770 -36.415 1.00 0.00 H new ATOM 0 HG11 VAL A 442 -0.127 10.680 -34.226 1.00 0.00 H new ATOM 0 HG12 VAL A 442 -1.191 11.259 -35.529 1.00 0.00 H new ATOM 0 HG13 VAL A 442 -1.750 9.979 -34.427 1.00 0.00 H new ATOM 0 HG21 VAL A 442 0.930 8.451 -34.375 1.00 0.00 H new ATOM 0 HG22 VAL A 442 -0.649 7.659 -34.584 1.00 0.00 H new ATOM 0 HG23 VAL A 442 0.637 7.410 -35.788 1.00 0.00 H new ATOM 1348 N HIS A 443 -0.937 10.916 -38.199 1.00 0.00 N ATOM 1349 CA HIS A 443 -1.284 12.126 -38.937 1.00 0.00 C ATOM 1350 C HIS A 443 -1.660 11.794 -40.378 1.00 0.00 C ATOM 1351 O HIS A 443 -0.951 12.161 -41.315 1.00 0.00 O ATOM 1352 CB HIS A 443 -0.117 13.113 -38.916 1.00 0.00 C ATOM 1353 CG HIS A 443 0.400 13.402 -37.540 1.00 0.00 C ATOM 1354 ND1 HIS A 443 -0.318 14.111 -36.600 1.00 0.00 N ATOM 1355 CD2 HIS A 443 1.570 13.071 -36.946 1.00 0.00 C ATOM 1356 CE1 HIS A 443 0.389 14.206 -35.489 1.00 0.00 C ATOM 1357 NE2 HIS A 443 1.539 13.582 -35.672 1.00 0.00 N ATOM 0 H HIS A 443 0.065 10.734 -38.134 1.00 0.00 H new ATOM 0 HA HIS A 443 -2.146 12.584 -38.452 1.00 0.00 H new ATOM 0 HB2 HIS A 443 0.695 12.715 -39.524 1.00 0.00 H new ATOM 0 HB3 HIS A 443 -0.434 14.047 -39.380 1.00 0.00 H new ATOM 0 HD1 HIS A 443 -1.250 14.501 -36.741 1.00 0.00 H new ATOM 0 HD2 HIS A 443 2.378 12.509 -37.391 1.00 0.00 H new ATOM 0 HE1 HIS A 443 0.080 14.708 -34.584 1.00 0.00 H new