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 -156:sc= 0.26 USER MOD Set 1.2: A 425 CYS SG : rot -118:sc= 0.236 USER MOD Set 1.3: A 438 HIS : no HE2:sc= -0.509 K(o=-0.79,f=-2.2) USER MOD Set 1.4: A 443 HIS : no HE2:sc= -0.78 K(o=-0.79,f=-2.6) USER MOD Set 2.1: A 392 CYS SG : rot -151:sc= -0.439 USER MOD Set 2.2: A 395 CYS SG : rot 140:sc= 0.654 USER MOD Set 2.3: A 408 HIS : no HE2:sc= 0.135 K(o=0.37,f=-2.1) USER MOD Set 2.4: A 412 HIS : no HD1:sc= 0.0243 K(o=0.37,f=-2.6) USER MOD Set 3.1: A 364 CYS SG : rot 80:sc= -1.28! USER MOD Set 3.2: A 367 CYS SG : rot -49:sc= 1.08 USER MOD Set 3.3: A 380 HIS : no HD1:sc= 0.24 K(o=0.039,f=-4.7!) 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= -0.472 X(o=-0.47,f=-0.59) USER MOD Single : A 378 ASN : amide:sc= -0.0374 X(o=-0.037,f=0) USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -158:sc= -1.81 (180deg=-2.63!) 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+ -168:sc= 0 (180deg=-0.127) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 GLN : amide:sc= 0 X(o=0,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 USER MOD Single : A 434 HIS : no HD1:sc= -0.409 X(o=-0.41,f=-0.03) USER MOD Single : A 436 ASN : amide:sc= -0.171 X(o=-0.17,f=0) 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 -12.837 -21.617 -19.209 1.00 0.00 N ATOM 67 CA VAL A 362 -11.592 -21.149 -18.612 1.00 0.00 C ATOM 68 C VAL A 362 -11.844 -19.998 -17.646 1.00 0.00 C ATOM 69 O VAL A 362 -12.541 -19.038 -17.976 1.00 0.00 O ATOM 70 CB VAL A 362 -10.591 -20.691 -19.689 1.00 0.00 C ATOM 71 CG1 VAL A 362 -11.153 -19.518 -20.477 1.00 0.00 C ATOM 72 CG2 VAL A 362 -9.256 -20.328 -19.056 1.00 0.00 C ATOM 0 HA VAL A 362 -11.167 -21.991 -18.066 1.00 0.00 H new ATOM 0 HB VAL A 362 -10.426 -21.517 -20.381 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -10.431 -19.209 -21.233 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -12.082 -19.818 -20.963 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -11.349 -18.686 -19.801 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -8.561 -20.007 -19.832 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -9.401 -19.519 -18.340 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -8.849 -21.198 -18.542 1.00 0.00 H new ATOM 82 N ALA A 363 -11.274 -20.100 -16.450 1.00 0.00 N ATOM 83 CA ALA A 363 -11.434 -19.066 -15.436 1.00 0.00 C ATOM 84 C ALA A 363 -10.414 -17.948 -15.625 1.00 0.00 C ATOM 85 O ALA A 363 -9.254 -18.201 -15.952 1.00 0.00 O ATOM 86 CB ALA A 363 -11.310 -19.668 -14.044 1.00 0.00 C ATOM 0 H ALA A 363 -10.697 -20.889 -16.160 1.00 0.00 H new ATOM 0 HA ALA A 363 -12.429 -18.635 -15.546 1.00 0.00 H new ATOM 0 HB1 ALA A 363 -11.432 -18.884 -13.296 1.00 0.00 H new ATOM 0 HB2 ALA A 363 -12.082 -20.425 -13.905 1.00 0.00 H new ATOM 0 HB3 ALA A 363 -10.328 -20.127 -13.932 1.00 0.00 H new ATOM 92 N CYS A 364 -10.853 -16.711 -15.416 1.00 0.00 N ATOM 93 CA CYS A 364 -9.979 -15.554 -15.564 1.00 0.00 C ATOM 94 C CYS A 364 -9.009 -15.451 -14.391 1.00 0.00 C ATOM 95 O CYS A 364 -9.377 -15.709 -13.245 1.00 0.00 O ATOM 96 CB CYS A 364 -10.807 -14.273 -15.669 1.00 0.00 C ATOM 97 SG CYS A 364 -9.855 -12.812 -16.197 1.00 0.00 S ATOM 0 H CYS A 364 -11.809 -16.485 -15.143 1.00 0.00 H new ATOM 0 HA CYS A 364 -9.402 -15.681 -16.480 1.00 0.00 H new ATOM 0 HB2 CYS A 364 -11.622 -14.437 -16.374 1.00 0.00 H new ATOM 0 HB3 CYS A 364 -11.261 -14.066 -14.700 1.00 0.00 H new ATOM 0 HG CYS A 364 -9.699 -12.839 -17.487 1.00 0.00 H new ATOM 102 N GLU A 365 -7.769 -15.073 -14.686 1.00 0.00 N ATOM 103 CA GLU A 365 -6.747 -14.936 -13.655 1.00 0.00 C ATOM 104 C GLU A 365 -6.636 -13.488 -13.187 1.00 0.00 C ATOM 105 O GLU A 365 -5.571 -13.044 -12.756 1.00 0.00 O ATOM 106 CB GLU A 365 -5.394 -15.419 -14.180 1.00 0.00 C ATOM 107 CG GLU A 365 -4.750 -14.465 -15.173 1.00 0.00 C ATOM 108 CD GLU A 365 -3.690 -15.137 -16.023 1.00 0.00 C ATOM 109 OE1 GLU A 365 -3.924 -16.277 -16.474 1.00 0.00 O ATOM 110 OE2 GLU A 365 -2.625 -14.521 -16.239 1.00 0.00 O ATOM 0 H GLU A 365 -7.448 -14.856 -15.630 1.00 0.00 H new ATOM 0 HA GLU A 365 -7.040 -15.552 -12.805 1.00 0.00 H new ATOM 0 HB2 GLU A 365 -4.718 -15.564 -13.338 1.00 0.00 H new ATOM 0 HB3 GLU A 365 -5.524 -16.391 -14.655 1.00 0.00 H new ATOM 0 HG2 GLU A 365 -5.520 -14.047 -15.822 1.00 0.00 H new ATOM 0 HG3 GLU A 365 -4.302 -13.631 -14.632 1.00 0.00 H new ATOM 117 N ILE A 366 -7.742 -12.757 -13.277 1.00 0.00 N ATOM 118 CA ILE A 366 -7.769 -11.360 -12.862 1.00 0.00 C ATOM 119 C ILE A 366 -9.011 -11.057 -12.030 1.00 0.00 C ATOM 120 O ILE A 366 -8.927 -10.422 -10.979 1.00 0.00 O ATOM 121 CB ILE A 366 -7.735 -10.412 -14.076 1.00 0.00 C ATOM 122 CG1 ILE A 366 -6.507 -10.701 -14.942 1.00 0.00 C ATOM 123 CG2 ILE A 366 -7.735 -8.962 -13.616 1.00 0.00 C ATOM 124 CD1 ILE A 366 -6.849 -11.183 -16.334 1.00 0.00 C ATOM 0 H ILE A 366 -8.631 -13.109 -13.633 1.00 0.00 H new ATOM 0 HA ILE A 366 -6.879 -11.194 -12.255 1.00 0.00 H new ATOM 0 HB ILE A 366 -8.629 -10.583 -14.676 1.00 0.00 H new ATOM 0 HG12 ILE A 366 -5.905 -9.796 -15.018 1.00 0.00 H new ATOM 0 HG13 ILE A 366 -5.892 -11.453 -14.447 1.00 0.00 H new ATOM 0 HG21 ILE A 366 -7.711 -8.305 -14.485 1.00 0.00 H new ATOM 0 HG22 ILE A 366 -8.637 -8.764 -13.036 1.00 0.00 H new ATOM 0 HG23 ILE A 366 -6.858 -8.777 -12.996 1.00 0.00 H new ATOM 0 HD11 ILE A 366 -5.930 -11.368 -16.891 1.00 0.00 H new ATOM 0 HD12 ILE A 366 -7.425 -12.106 -16.268 1.00 0.00 H new ATOM 0 HD13 ILE A 366 -7.438 -10.423 -16.848 1.00 0.00 H new ATOM 136 N CYS A 367 -10.162 -11.517 -12.507 1.00 0.00 N ATOM 137 CA CYS A 367 -11.423 -11.298 -11.808 1.00 0.00 C ATOM 138 C CYS A 367 -11.985 -12.613 -11.275 1.00 0.00 C ATOM 139 O CYS A 367 -12.651 -12.641 -10.241 1.00 0.00 O ATOM 140 CB CYS A 367 -12.439 -10.637 -12.740 1.00 0.00 C ATOM 141 SG CYS A 367 -12.730 -11.549 -14.290 1.00 0.00 S ATOM 0 H CYS A 367 -10.248 -12.044 -13.376 1.00 0.00 H new ATOM 0 HA CYS A 367 -11.231 -10.636 -10.963 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -13.386 -10.530 -12.211 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -12.094 -9.632 -12.982 1.00 0.00 H new ATOM 0 HG CYS A 367 -11.590 -11.849 -14.838 1.00 0.00 H new ATOM 146 N GLY A 368 -11.711 -13.700 -11.989 1.00 0.00 N ATOM 147 CA GLY A 368 -12.196 -15.003 -11.573 1.00 0.00 C ATOM 148 C GLY A 368 -13.464 -15.408 -12.298 1.00 0.00 C ATOM 149 O GLY A 368 -14.260 -16.193 -11.782 1.00 0.00 O ATOM 0 H GLY A 368 -11.162 -13.702 -12.848 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -11.423 -15.750 -11.754 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -12.383 -14.992 -10.499 1.00 0.00 H new ATOM 153 N LYS A 369 -13.654 -14.871 -13.499 1.00 0.00 N ATOM 154 CA LYS A 369 -14.834 -15.181 -14.298 1.00 0.00 C ATOM 155 C LYS A 369 -14.527 -16.268 -15.323 1.00 0.00 C ATOM 156 O LYS A 369 -13.496 -16.226 -15.996 1.00 0.00 O ATOM 157 CB LYS A 369 -15.338 -13.923 -15.008 1.00 0.00 C ATOM 158 CG LYS A 369 -15.996 -12.920 -14.075 1.00 0.00 C ATOM 159 CD LYS A 369 -16.449 -11.677 -14.822 1.00 0.00 C ATOM 160 CE LYS A 369 -17.548 -10.944 -14.070 1.00 0.00 C ATOM 161 NZ LYS A 369 -17.804 -9.592 -14.639 1.00 0.00 N ATOM 0 H LYS A 369 -13.006 -14.219 -13.940 1.00 0.00 H new ATOM 0 HA LYS A 369 -15.611 -15.548 -13.627 1.00 0.00 H new ATOM 0 HB2 LYS A 369 -14.501 -13.441 -15.514 1.00 0.00 H new ATOM 0 HB3 LYS A 369 -16.052 -14.212 -15.779 1.00 0.00 H new ATOM 0 HG2 LYS A 369 -16.853 -13.384 -13.586 1.00 0.00 H new ATOM 0 HG3 LYS A 369 -15.295 -12.638 -13.289 1.00 0.00 H new ATOM 0 HD2 LYS A 369 -15.600 -11.010 -14.969 1.00 0.00 H new ATOM 0 HD3 LYS A 369 -16.809 -11.957 -15.812 1.00 0.00 H new ATOM 0 HE2 LYS A 369 -18.465 -11.532 -14.104 1.00 0.00 H new ATOM 0 HE3 LYS A 369 -17.269 -10.849 -13.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 -18.560 -9.125 -14.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 -16.936 -9.022 -14.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 -18.095 -9.683 -15.633 1.00 0.00 H new ATOM 175 N ILE A 370 -15.427 -17.238 -15.438 1.00 0.00 N ATOM 176 CA ILE A 370 -15.253 -18.333 -16.383 1.00 0.00 C ATOM 177 C ILE A 370 -15.782 -17.958 -17.763 1.00 0.00 C ATOM 178 O ILE A 370 -16.765 -17.226 -17.885 1.00 0.00 O ATOM 179 CB ILE A 370 -15.966 -19.611 -15.902 1.00 0.00 C ATOM 180 CG1 ILE A 370 -15.482 -19.996 -14.503 1.00 0.00 C ATOM 181 CG2 ILE A 370 -15.730 -20.750 -16.882 1.00 0.00 C ATOM 182 CD1 ILE A 370 -16.254 -19.323 -13.389 1.00 0.00 C ATOM 0 H ILE A 370 -16.285 -17.288 -14.888 1.00 0.00 H new ATOM 0 HA ILE A 370 -14.182 -18.527 -16.447 1.00 0.00 H new ATOM 0 HB ILE A 370 -17.037 -19.415 -15.854 1.00 0.00 H new ATOM 0 HG12 ILE A 370 -15.559 -21.077 -14.386 1.00 0.00 H new ATOM 0 HG13 ILE A 370 -14.427 -19.739 -14.409 1.00 0.00 H new ATOM 0 HG21 ILE A 370 -16.240 -21.646 -16.528 1.00 0.00 H new ATOM 0 HG22 ILE A 370 -16.120 -20.474 -17.862 1.00 0.00 H new ATOM 0 HG23 ILE A 370 -14.661 -20.948 -16.959 1.00 0.00 H new ATOM 0 HD11 ILE A 370 -15.856 -19.643 -12.426 1.00 0.00 H new ATOM 0 HD12 ILE A 370 -16.157 -18.241 -13.481 1.00 0.00 H new ATOM 0 HD13 ILE A 370 -17.306 -19.600 -13.457 1.00 0.00 H new ATOM 194 N PHE A 371 -15.126 -18.466 -18.801 1.00 0.00 N ATOM 195 CA PHE A 371 -15.530 -18.185 -20.173 1.00 0.00 C ATOM 196 C PHE A 371 -15.735 -19.479 -20.955 1.00 0.00 C ATOM 197 O PHE A 371 -15.052 -20.475 -20.717 1.00 0.00 O ATOM 198 CB PHE A 371 -14.481 -17.315 -20.869 1.00 0.00 C ATOM 199 CG PHE A 371 -14.391 -15.923 -20.313 1.00 0.00 C ATOM 200 CD1 PHE A 371 -13.873 -15.701 -19.047 1.00 0.00 C ATOM 201 CD2 PHE A 371 -14.824 -14.837 -21.055 1.00 0.00 C ATOM 202 CE1 PHE A 371 -13.790 -14.421 -18.532 1.00 0.00 C ATOM 203 CE2 PHE A 371 -14.744 -13.554 -20.546 1.00 0.00 C ATOM 204 CZ PHE A 371 -14.225 -13.346 -19.283 1.00 0.00 C ATOM 0 H PHE A 371 -14.312 -19.075 -18.718 1.00 0.00 H new ATOM 0 HA PHE A 371 -16.477 -17.645 -20.143 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -13.507 -17.796 -20.782 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -14.715 -17.258 -21.932 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -13.530 -16.538 -18.456 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -15.229 -14.994 -22.044 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -13.385 -14.261 -17.543 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -15.087 -12.716 -21.135 1.00 0.00 H new ATOM 0 HZ PHE A 371 -14.159 -12.345 -18.883 1.00 0.00 H new ATOM 214 N ARG A 372 -16.680 -19.455 -21.889 1.00 0.00 N ATOM 215 CA ARG A 372 -16.977 -20.626 -22.706 1.00 0.00 C ATOM 216 C ARG A 372 -15.793 -20.979 -23.601 1.00 0.00 C ATOM 217 O ARG A 372 -15.438 -22.149 -23.745 1.00 0.00 O ATOM 218 CB ARG A 372 -18.220 -20.376 -23.561 1.00 0.00 C ATOM 219 CG ARG A 372 -19.361 -19.721 -22.801 1.00 0.00 C ATOM 220 CD ARG A 372 -20.712 -20.242 -23.265 1.00 0.00 C ATOM 221 NE ARG A 372 -21.160 -21.384 -22.473 1.00 0.00 N ATOM 222 CZ ARG A 372 -22.292 -22.040 -22.703 1.00 0.00 C ATOM 223 NH1 ARG A 372 -23.086 -21.669 -23.698 1.00 0.00 N ATOM 224 NH2 ARG A 372 -22.631 -23.070 -21.938 1.00 0.00 N ATOM 0 H ARG A 372 -17.253 -18.638 -22.099 1.00 0.00 H new ATOM 0 HA ARG A 372 -17.168 -21.465 -22.037 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -17.948 -19.744 -24.406 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -18.565 -21.325 -23.971 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -19.244 -19.910 -21.734 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -19.319 -18.641 -22.940 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -21.451 -19.443 -23.199 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -20.648 -20.531 -24.314 1.00 0.00 H new ATOM 0 HE ARG A 372 -20.571 -21.695 -21.700 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -22.828 -20.878 -24.289 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -23.955 -22.174 -23.873 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -22.022 -23.359 -21.172 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -23.500 -23.573 -22.116 1.00 0.00 H new ATOM 238 N ASP A 373 -15.186 -19.960 -24.200 1.00 0.00 N ATOM 239 CA ASP A 373 -14.042 -20.162 -25.081 1.00 0.00 C ATOM 240 C ASP A 373 -12.838 -19.357 -24.601 1.00 0.00 C ATOM 241 O ASP A 373 -12.955 -18.519 -23.706 1.00 0.00 O ATOM 242 CB ASP A 373 -14.398 -19.765 -26.514 1.00 0.00 C ATOM 243 CG ASP A 373 -13.601 -20.540 -27.545 1.00 0.00 C ATOM 244 OD1 ASP A 373 -12.431 -20.175 -27.786 1.00 0.00 O ATOM 245 OD2 ASP A 373 -14.147 -21.510 -28.111 1.00 0.00 O ATOM 0 H ASP A 373 -15.467 -18.986 -24.091 1.00 0.00 H new ATOM 0 HA ASP A 373 -13.781 -21.220 -25.060 1.00 0.00 H new ATOM 0 HB2 ASP A 373 -15.462 -19.933 -26.681 1.00 0.00 H new ATOM 0 HB3 ASP A 373 -14.219 -18.698 -26.647 1.00 0.00 H new ATOM 250 N VAL A 374 -11.681 -19.618 -25.200 1.00 0.00 N ATOM 251 CA VAL A 374 -10.455 -18.918 -24.834 1.00 0.00 C ATOM 252 C VAL A 374 -10.333 -17.596 -25.583 1.00 0.00 C ATOM 253 O VAL A 374 -9.740 -16.640 -25.083 1.00 0.00 O ATOM 254 CB VAL A 374 -9.210 -19.777 -25.125 1.00 0.00 C ATOM 255 CG1 VAL A 374 -7.959 -19.105 -24.581 1.00 0.00 C ATOM 256 CG2 VAL A 374 -9.375 -21.170 -24.536 1.00 0.00 C ATOM 0 H VAL A 374 -11.566 -20.309 -25.941 1.00 0.00 H new ATOM 0 HA VAL A 374 -10.510 -18.722 -23.763 1.00 0.00 H new ATOM 0 HB VAL A 374 -9.101 -19.874 -26.205 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -7.090 -19.726 -24.796 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -7.835 -18.131 -25.054 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -8.055 -18.976 -23.503 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.486 -21.764 -24.751 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -9.509 -21.095 -23.457 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.248 -21.651 -24.978 1.00 0.00 H new ATOM 266 N TYR A 375 -10.898 -17.548 -26.784 1.00 0.00 N ATOM 267 CA TYR A 375 -10.851 -16.343 -27.604 1.00 0.00 C ATOM 268 C TYR A 375 -11.592 -15.195 -26.927 1.00 0.00 C ATOM 269 O TYR A 375 -11.097 -14.068 -26.870 1.00 0.00 O ATOM 270 CB TYR A 375 -11.457 -16.614 -28.982 1.00 0.00 C ATOM 271 CG TYR A 375 -10.504 -17.294 -29.940 1.00 0.00 C ATOM 272 CD1 TYR A 375 -9.981 -18.549 -29.656 1.00 0.00 C ATOM 273 CD2 TYR A 375 -10.127 -16.680 -31.127 1.00 0.00 C ATOM 274 CE1 TYR A 375 -9.110 -19.174 -30.528 1.00 0.00 C ATOM 275 CE2 TYR A 375 -9.257 -17.297 -32.005 1.00 0.00 C ATOM 276 CZ TYR A 375 -8.751 -18.544 -31.701 1.00 0.00 C ATOM 277 OH TYR A 375 -7.884 -19.162 -32.573 1.00 0.00 O ATOM 0 H TYR A 375 -11.394 -18.330 -27.212 1.00 0.00 H new ATOM 0 HA TYR A 375 -9.806 -16.057 -27.724 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -12.345 -17.235 -28.863 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -11.785 -15.670 -29.418 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -10.260 -19.045 -28.738 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -10.521 -15.704 -31.368 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -8.713 -20.150 -30.292 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -8.974 -16.806 -32.924 1.00 0.00 H new ATOM 0 HH TYR A 375 -7.736 -18.585 -33.351 1.00 0.00 H new ATOM 287 N HIS A 376 -12.782 -15.488 -26.413 1.00 0.00 N ATOM 288 CA HIS A 376 -13.593 -14.481 -25.738 1.00 0.00 C ATOM 289 C HIS A 376 -12.898 -13.981 -24.475 1.00 0.00 C ATOM 290 O HIS A 376 -13.131 -12.857 -24.029 1.00 0.00 O ATOM 291 CB HIS A 376 -14.966 -15.054 -25.386 1.00 0.00 C ATOM 292 CG HIS A 376 -16.107 -14.277 -25.968 1.00 0.00 C ATOM 293 ND1 HIS A 376 -16.090 -12.905 -26.106 1.00 0.00 N ATOM 294 CD2 HIS A 376 -17.303 -14.687 -26.451 1.00 0.00 C ATOM 295 CE1 HIS A 376 -17.227 -12.505 -26.647 1.00 0.00 C ATOM 296 NE2 HIS A 376 -17.980 -13.568 -26.867 1.00 0.00 N ATOM 0 H HIS A 376 -13.206 -16.415 -26.451 1.00 0.00 H new ATOM 0 HA HIS A 376 -13.723 -13.639 -26.418 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -15.022 -16.084 -25.738 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -15.072 -15.082 -24.301 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -17.659 -15.706 -26.500 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -17.495 -11.483 -26.871 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -18.913 -13.559 -27.279 1.00 0.00 H new ATOM 304 N LEU A 377 -12.044 -14.823 -23.903 1.00 0.00 N ATOM 305 CA LEU A 377 -11.315 -14.467 -22.691 1.00 0.00 C ATOM 306 C LEU A 377 -10.127 -13.567 -23.014 1.00 0.00 C ATOM 307 O LEU A 377 -9.702 -12.762 -22.186 1.00 0.00 O ATOM 308 CB LEU A 377 -10.833 -15.729 -21.973 1.00 0.00 C ATOM 309 CG LEU A 377 -9.936 -15.507 -20.755 1.00 0.00 C ATOM 310 CD1 LEU A 377 -10.766 -15.110 -19.545 1.00 0.00 C ATOM 311 CD2 LEU A 377 -9.120 -16.757 -20.459 1.00 0.00 C ATOM 0 H LEU A 377 -11.840 -15.757 -24.259 1.00 0.00 H new ATOM 0 HA LEU A 377 -11.994 -13.920 -22.036 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -11.707 -16.299 -21.657 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -10.292 -16.347 -22.690 1.00 0.00 H new ATOM 0 HG LEU A 377 -9.247 -14.692 -20.979 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -10.110 -14.956 -18.688 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -11.304 -14.187 -19.760 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -11.480 -15.902 -19.318 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -8.487 -16.581 -19.589 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -9.792 -17.591 -20.256 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -8.495 -16.996 -21.320 1.00 0.00 H new ATOM 323 N ASN A 378 -9.597 -13.707 -24.225 1.00 0.00 N ATOM 324 CA ASN A 378 -8.459 -12.905 -24.659 1.00 0.00 C ATOM 325 C ASN A 378 -8.819 -11.423 -24.692 1.00 0.00 C ATOM 326 O ASN A 378 -8.096 -10.586 -24.151 1.00 0.00 O ATOM 327 CB ASN A 378 -7.987 -13.358 -26.042 1.00 0.00 C ATOM 328 CG ASN A 378 -6.489 -13.589 -26.095 1.00 0.00 C ATOM 329 OD1 ASN A 378 -6.026 -14.627 -26.567 1.00 0.00 O ATOM 330 ND2 ASN A 378 -5.724 -12.618 -25.609 1.00 0.00 N ATOM 0 H ASN A 378 -9.937 -14.368 -24.923 1.00 0.00 H new ATOM 0 HA ASN A 378 -7.651 -13.048 -23.942 1.00 0.00 H new ATOM 0 HB2 ASN A 378 -8.504 -14.278 -26.316 1.00 0.00 H new ATOM 0 HB3 ASN A 378 -8.262 -12.606 -26.781 1.00 0.00 H new ATOM 0 HD21 ASN A 378 -4.709 -12.716 -25.618 1.00 0.00 H new ATOM 0 HD22 ASN A 378 -6.152 -11.774 -25.227 1.00 0.00 H new ATOM 337 N ARG A 379 -9.941 -11.107 -25.330 1.00 0.00 N ATOM 338 CA ARG A 379 -10.397 -9.726 -25.434 1.00 0.00 C ATOM 339 C ARG A 379 -10.760 -9.168 -24.061 1.00 0.00 C ATOM 340 O ARG A 379 -10.724 -7.956 -23.842 1.00 0.00 O ATOM 341 CB ARG A 379 -11.604 -9.634 -26.369 1.00 0.00 C ATOM 342 CG ARG A 379 -12.887 -10.179 -25.762 1.00 0.00 C ATOM 343 CD ARG A 379 -13.813 -9.058 -25.317 1.00 0.00 C ATOM 344 NE ARG A 379 -15.208 -9.489 -25.266 1.00 0.00 N ATOM 345 CZ ARG A 379 -15.731 -10.166 -24.249 1.00 0.00 C ATOM 346 NH1 ARG A 379 -14.978 -10.488 -23.206 1.00 0.00 N ATOM 347 NH2 ARG A 379 -17.008 -10.522 -24.275 1.00 0.00 N ATOM 0 H ARG A 379 -10.551 -11.788 -25.782 1.00 0.00 H new ATOM 0 HA ARG A 379 -9.582 -9.131 -25.845 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -11.758 -8.592 -26.648 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -11.385 -10.181 -27.286 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -13.398 -10.806 -26.492 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -12.646 -10.814 -24.909 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -13.507 -8.704 -24.333 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -13.718 -8.216 -26.003 1.00 0.00 H new ATOM 0 HE ARG A 379 -15.813 -9.258 -26.054 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -13.995 -10.216 -23.183 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -15.382 -11.008 -22.427 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -17.590 -10.276 -25.076 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -17.409 -11.042 -23.494 1.00 0.00 H new ATOM 361 N HIS A 380 -11.109 -10.059 -23.139 1.00 0.00 N ATOM 362 CA HIS A 380 -11.479 -9.656 -21.787 1.00 0.00 C ATOM 363 C HIS A 380 -10.247 -9.246 -20.987 1.00 0.00 C ATOM 364 O HIS A 380 -10.187 -8.145 -20.438 1.00 0.00 O ATOM 365 CB HIS A 380 -12.209 -10.795 -21.074 1.00 0.00 C ATOM 366 CG HIS A 380 -12.455 -10.531 -19.620 1.00 0.00 C ATOM 367 ND1 HIS A 380 -13.366 -9.599 -19.168 1.00 0.00 N ATOM 368 CD2 HIS A 380 -11.905 -11.084 -18.515 1.00 0.00 C ATOM 369 CE1 HIS A 380 -13.363 -9.590 -17.847 1.00 0.00 C ATOM 370 NE2 HIS A 380 -12.486 -10.482 -17.426 1.00 0.00 N ATOM 0 H HIS A 380 -11.143 -11.065 -23.303 1.00 0.00 H new ATOM 0 HA HIS A 380 -12.146 -8.797 -21.860 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -13.164 -10.970 -21.570 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -11.625 -11.710 -21.175 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -11.149 -11.855 -18.493 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -13.974 -8.960 -17.218 1.00 0.00 H new ATOM 0 HE2 HIS A 380 -12.274 -10.690 -16.450 1.00 0.00 H new ATOM 378 N LYS A 381 -9.264 -10.138 -20.923 1.00 0.00 N ATOM 379 CA LYS A 381 -8.032 -9.870 -20.190 1.00 0.00 C ATOM 380 C LYS A 381 -7.422 -8.540 -20.620 1.00 0.00 C ATOM 381 O LYS A 381 -6.763 -7.863 -19.830 1.00 0.00 O ATOM 382 CB LYS A 381 -7.026 -11.001 -20.414 1.00 0.00 C ATOM 383 CG LYS A 381 -7.537 -12.364 -19.981 1.00 0.00 C ATOM 384 CD LYS A 381 -6.813 -13.487 -20.705 1.00 0.00 C ATOM 385 CE LYS A 381 -6.384 -14.585 -19.744 1.00 0.00 C ATOM 386 NZ LYS A 381 -5.317 -15.445 -20.326 1.00 0.00 N ATOM 0 H LYS A 381 -9.297 -11.054 -21.371 1.00 0.00 H new ATOM 0 HA LYS A 381 -8.274 -9.812 -19.129 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -6.765 -11.039 -21.472 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -6.110 -10.775 -19.867 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -7.404 -12.478 -18.905 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -8.607 -12.432 -20.179 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -7.465 -13.907 -21.471 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -5.937 -13.087 -21.216 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -6.024 -14.137 -18.818 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -7.246 -15.200 -19.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -5.052 -16.181 -19.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -5.668 -15.893 -21.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -4.484 -14.863 -20.548 1.00 0.00 H new ATOM 400 N LEU A 382 -7.647 -8.169 -21.876 1.00 0.00 N ATOM 401 CA LEU A 382 -7.121 -6.918 -22.411 1.00 0.00 C ATOM 402 C LEU A 382 -7.867 -5.721 -21.830 1.00 0.00 C ATOM 403 O LEU A 382 -7.273 -4.675 -21.569 1.00 0.00 O ATOM 404 CB LEU A 382 -7.227 -6.908 -23.937 1.00 0.00 C ATOM 405 CG LEU A 382 -6.231 -7.796 -24.685 1.00 0.00 C ATOM 406 CD1 LEU A 382 -6.778 -8.177 -26.052 1.00 0.00 C ATOM 407 CD2 LEU A 382 -4.889 -7.093 -24.822 1.00 0.00 C ATOM 0 H LEU A 382 -8.190 -8.717 -22.543 1.00 0.00 H new ATOM 0 HA LEU A 382 -6.072 -6.842 -22.126 1.00 0.00 H new ATOM 0 HB2 LEU A 382 -8.236 -7.215 -24.213 1.00 0.00 H new ATOM 0 HB3 LEU A 382 -7.100 -5.882 -24.283 1.00 0.00 H new ATOM 0 HG LEU A 382 -6.083 -8.709 -24.109 1.00 0.00 H new ATOM 0 HD11 LEU A 382 -6.056 -8.809 -26.570 1.00 0.00 H new ATOM 0 HD12 LEU A 382 -7.715 -8.721 -25.930 1.00 0.00 H new ATOM 0 HD13 LEU A 382 -6.956 -7.275 -26.637 1.00 0.00 H new ATOM 0 HD21 LEU A 382 -4.193 -7.739 -25.357 1.00 0.00 H new ATOM 0 HD22 LEU A 382 -5.020 -6.164 -25.376 1.00 0.00 H new ATOM 0 HD23 LEU A 382 -4.491 -6.872 -23.832 1.00 0.00 H new ATOM 480 N LYS A 388 1.424 -4.530 -14.249 1.00 0.00 N ATOM 481 CA LYS A 388 2.712 -3.955 -14.619 1.00 0.00 C ATOM 482 C LYS A 388 3.050 -2.762 -13.731 1.00 0.00 C ATOM 483 O LYS A 388 2.172 -2.111 -13.164 1.00 0.00 O ATOM 484 CB LYS A 388 2.698 -3.524 -16.087 1.00 0.00 C ATOM 485 CG LYS A 388 1.859 -4.424 -16.978 1.00 0.00 C ATOM 486 CD LYS A 388 2.486 -4.590 -18.352 1.00 0.00 C ATOM 487 CE LYS A 388 1.758 -3.761 -19.400 1.00 0.00 C ATOM 488 NZ LYS A 388 2.040 -2.307 -19.250 1.00 0.00 N ATOM 0 HA LYS A 388 3.477 -4.719 -14.478 1.00 0.00 H new ATOM 0 HB2 LYS A 388 2.318 -2.505 -16.154 1.00 0.00 H new ATOM 0 HB3 LYS A 388 3.721 -3.508 -16.462 1.00 0.00 H new ATOM 0 HG2 LYS A 388 1.747 -5.401 -16.508 1.00 0.00 H new ATOM 0 HG3 LYS A 388 0.859 -4.004 -17.082 1.00 0.00 H new ATOM 0 HD2 LYS A 388 3.534 -4.292 -18.314 1.00 0.00 H new ATOM 0 HD3 LYS A 388 2.464 -5.641 -18.639 1.00 0.00 H new ATOM 0 HE2 LYS A 388 2.058 -4.089 -20.395 1.00 0.00 H new ATOM 0 HE3 LYS A 388 0.685 -3.933 -19.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 1.526 -1.776 -19.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 1.730 -1.988 -18.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 3.061 -2.139 -19.353 1.00 0.00 H new ATOM 502 N PRO A 389 4.352 -2.465 -13.607 1.00 0.00 N ATOM 503 CA PRO A 389 5.406 -3.233 -14.277 1.00 0.00 C ATOM 504 C PRO A 389 5.568 -4.630 -13.689 1.00 0.00 C ATOM 505 O PRO A 389 5.619 -5.620 -14.420 1.00 0.00 O ATOM 506 CB PRO A 389 6.665 -2.399 -14.028 1.00 0.00 C ATOM 507 CG PRO A 389 6.374 -1.635 -12.783 1.00 0.00 C ATOM 508 CD PRO A 389 4.896 -1.358 -12.804 1.00 0.00 C ATOM 0 HA PRO A 389 5.186 -3.393 -15.332 1.00 0.00 H new ATOM 0 HB2 PRO A 389 7.543 -3.034 -13.907 1.00 0.00 H new ATOM 0 HB3 PRO A 389 6.869 -1.730 -14.864 1.00 0.00 H new ATOM 0 HG2 PRO A 389 6.651 -2.209 -11.899 1.00 0.00 H new ATOM 0 HG3 PRO A 389 6.945 -0.707 -12.752 1.00 0.00 H new ATOM 0 HD2 PRO A 389 4.475 -1.347 -11.799 1.00 0.00 H new ATOM 0 HD3 PRO A 389 4.675 -0.390 -13.253 1.00 0.00 H new ATOM 516 N TYR A 390 5.648 -4.704 -12.365 1.00 0.00 N ATOM 517 CA TYR A 390 5.806 -5.981 -11.679 1.00 0.00 C ATOM 518 C TYR A 390 4.585 -6.293 -10.819 1.00 0.00 C ATOM 519 O TYR A 390 4.411 -5.725 -9.741 1.00 0.00 O ATOM 520 CB TYR A 390 7.065 -5.965 -10.811 1.00 0.00 C ATOM 521 CG TYR A 390 8.284 -5.420 -11.521 1.00 0.00 C ATOM 522 CD1 TYR A 390 9.080 -6.243 -12.308 1.00 0.00 C ATOM 523 CD2 TYR A 390 8.639 -4.082 -11.405 1.00 0.00 C ATOM 524 CE1 TYR A 390 10.194 -5.750 -12.958 1.00 0.00 C ATOM 525 CE2 TYR A 390 9.751 -3.579 -12.053 1.00 0.00 C ATOM 526 CZ TYR A 390 10.526 -4.417 -12.827 1.00 0.00 C ATOM 527 OH TYR A 390 11.635 -3.922 -13.474 1.00 0.00 O ATOM 0 H TYR A 390 5.606 -3.895 -11.745 1.00 0.00 H new ATOM 0 HA TYR A 390 5.904 -6.761 -12.435 1.00 0.00 H new ATOM 0 HB2 TYR A 390 6.875 -5.365 -9.921 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.276 -6.979 -10.472 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.823 -7.287 -12.413 1.00 0.00 H new ATOM 0 HD2 TYR A 390 8.035 -3.424 -10.798 1.00 0.00 H new ATOM 0 HE1 TYR A 390 10.802 -6.404 -13.565 1.00 0.00 H new ATOM 0 HE2 TYR A 390 10.012 -2.536 -11.954 1.00 0.00 H new ATOM 0 HH TYR A 390 11.728 -2.966 -13.279 1.00 0.00 H new ATOM 537 N SER A 391 3.743 -7.199 -11.305 1.00 0.00 N ATOM 538 CA SER A 391 2.536 -7.585 -10.583 1.00 0.00 C ATOM 539 C SER A 391 2.601 -9.049 -10.160 1.00 0.00 C ATOM 540 O SER A 391 3.306 -9.854 -10.770 1.00 0.00 O ATOM 541 CB SER A 391 1.300 -7.348 -11.452 1.00 0.00 C ATOM 542 OG SER A 391 1.422 -8.003 -12.703 1.00 0.00 O ATOM 0 H SER A 391 3.874 -7.679 -12.195 1.00 0.00 H new ATOM 0 HA SER A 391 2.465 -6.969 -9.687 1.00 0.00 H new ATOM 0 HB2 SER A 391 0.412 -7.710 -10.933 1.00 0.00 H new ATOM 0 HB3 SER A 391 1.163 -6.278 -11.610 1.00 0.00 H new ATOM 0 HG SER A 391 0.618 -7.837 -13.239 1.00 0.00 H new ATOM 548 N CYS A 392 1.860 -9.388 -9.110 1.00 0.00 N ATOM 549 CA CYS A 392 1.832 -10.755 -8.602 1.00 0.00 C ATOM 550 C CYS A 392 0.862 -11.614 -9.408 1.00 0.00 C ATOM 551 O CYS A 392 -0.296 -11.255 -9.619 1.00 0.00 O ATOM 552 CB CYS A 392 1.434 -10.764 -7.125 1.00 0.00 C ATOM 553 SG CYS A 392 1.771 -12.339 -6.274 1.00 0.00 S ATOM 0 H CYS A 392 1.271 -8.735 -8.594 1.00 0.00 H new ATOM 0 HA CYS A 392 2.833 -11.175 -8.704 1.00 0.00 H new ATOM 0 HB2 CYS A 392 1.967 -9.964 -6.611 1.00 0.00 H new ATOM 0 HB3 CYS A 392 0.370 -10.540 -7.045 1.00 0.00 H new ATOM 0 HG CYS A 392 0.911 -12.506 -5.313 1.00 0.00 H new ATOM 558 N PRO A 393 1.345 -12.778 -9.868 1.00 0.00 N ATOM 559 CA PRO A 393 0.537 -13.714 -10.656 1.00 0.00 C ATOM 560 C PRO A 393 -0.553 -14.382 -9.824 1.00 0.00 C ATOM 561 O PRO A 393 -1.441 -15.043 -10.362 1.00 0.00 O ATOM 562 CB PRO A 393 1.558 -14.751 -11.131 1.00 0.00 C ATOM 563 CG PRO A 393 2.649 -14.699 -10.118 1.00 0.00 C ATOM 564 CD PRO A 393 2.716 -13.271 -9.653 1.00 0.00 C ATOM 0 HA PRO A 393 0.008 -13.213 -11.467 1.00 0.00 H new ATOM 0 HB2 PRO A 393 1.116 -15.746 -11.186 1.00 0.00 H new ATOM 0 HB3 PRO A 393 1.931 -14.512 -12.127 1.00 0.00 H new ATOM 0 HG2 PRO A 393 2.441 -15.371 -9.285 1.00 0.00 H new ATOM 0 HG3 PRO A 393 3.599 -15.013 -10.551 1.00 0.00 H new ATOM 0 HD2 PRO A 393 3.008 -13.203 -8.605 1.00 0.00 H new ATOM 0 HD3 PRO A 393 3.444 -12.696 -10.225 1.00 0.00 H new ATOM 572 N VAL A 394 -0.480 -14.204 -8.509 1.00 0.00 N ATOM 573 CA VAL A 394 -1.461 -14.789 -7.603 1.00 0.00 C ATOM 574 C VAL A 394 -2.469 -13.744 -7.135 1.00 0.00 C ATOM 575 O VAL A 394 -3.675 -13.902 -7.322 1.00 0.00 O ATOM 576 CB VAL A 394 -0.783 -15.419 -6.372 1.00 0.00 C ATOM 577 CG1 VAL A 394 -1.825 -15.997 -5.426 1.00 0.00 C ATOM 578 CG2 VAL A 394 0.211 -16.488 -6.800 1.00 0.00 C ATOM 0 H VAL A 394 0.248 -13.659 -8.047 1.00 0.00 H new ATOM 0 HA VAL A 394 -1.981 -15.568 -8.160 1.00 0.00 H new ATOM 0 HB VAL A 394 -0.237 -14.639 -5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 394 -1.327 -16.438 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 394 -2.494 -15.204 -5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 394 -2.401 -16.764 -5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 394 0.681 -16.922 -5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 394 -0.310 -17.268 -7.355 1.00 0.00 H new ATOM 0 HG23 VAL A 394 0.976 -16.040 -7.435 1.00 0.00 H new ATOM 588 N CYS A 395 -1.965 -12.675 -6.527 1.00 0.00 N ATOM 589 CA CYS A 395 -2.819 -11.602 -6.032 1.00 0.00 C ATOM 590 C CYS A 395 -3.296 -10.714 -7.178 1.00 0.00 C ATOM 591 O CYS A 395 -4.476 -10.712 -7.526 1.00 0.00 O ATOM 592 CB CYS A 395 -2.069 -10.760 -4.998 1.00 0.00 C ATOM 593 SG CYS A 395 -1.204 -11.739 -3.729 1.00 0.00 S ATOM 0 H CYS A 395 -0.969 -12.529 -6.365 1.00 0.00 H new ATOM 0 HA CYS A 395 -3.691 -12.054 -5.559 1.00 0.00 H new ATOM 0 HB2 CYS A 395 -1.343 -10.132 -5.514 1.00 0.00 H new ATOM 0 HB3 CYS A 395 -2.777 -10.092 -4.507 1.00 0.00 H new ATOM 0 HG CYS A 395 -0.044 -11.205 -3.485 1.00 0.00 H new ATOM 598 N GLY A 396 -2.368 -9.961 -7.761 1.00 0.00 N ATOM 599 CA GLY A 396 -2.713 -9.080 -8.862 1.00 0.00 C ATOM 600 C GLY A 396 -2.209 -7.665 -8.651 1.00 0.00 C ATOM 601 O GLY A 396 -2.219 -6.851 -9.575 1.00 0.00 O ATOM 0 H GLY A 396 -1.385 -9.945 -7.491 1.00 0.00 H new ATOM 0 HA2 GLY A 396 -2.294 -9.478 -9.787 1.00 0.00 H new ATOM 0 HA3 GLY A 396 -3.796 -9.063 -8.984 1.00 0.00 H new ATOM 605 N LEU A 397 -1.770 -7.371 -7.432 1.00 0.00 N ATOM 606 CA LEU A 397 -1.261 -6.044 -7.102 1.00 0.00 C ATOM 607 C LEU A 397 -0.169 -5.621 -8.080 1.00 0.00 C ATOM 608 O LEU A 397 0.284 -6.417 -8.902 1.00 0.00 O ATOM 609 CB LEU A 397 -0.717 -6.026 -5.673 1.00 0.00 C ATOM 610 CG LEU A 397 -1.656 -5.468 -4.604 1.00 0.00 C ATOM 611 CD1 LEU A 397 -1.774 -6.436 -3.437 1.00 0.00 C ATOM 612 CD2 LEU A 397 -1.170 -4.108 -4.124 1.00 0.00 C ATOM 0 H LEU A 397 -1.756 -8.033 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 397 -2.086 -5.336 -7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 397 -0.448 -7.045 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 397 0.202 -5.440 -5.663 1.00 0.00 H new ATOM 0 HG LEU A 397 -2.644 -5.343 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 397 -2.447 -6.021 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 397 -2.170 -7.388 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 397 -0.790 -6.594 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 397 -1.851 -3.726 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 397 -0.171 -4.208 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 397 -1.140 -3.415 -4.965 1.00 0.00 H new ATOM 624 N ARG A 398 0.250 -4.363 -7.983 1.00 0.00 N ATOM 625 CA ARG A 398 1.289 -3.835 -8.857 1.00 0.00 C ATOM 626 C ARG A 398 2.390 -3.157 -8.046 1.00 0.00 C ATOM 627 O ARG A 398 2.113 -2.372 -7.139 1.00 0.00 O ATOM 628 CB ARG A 398 0.690 -2.841 -9.854 1.00 0.00 C ATOM 629 CG ARG A 398 -0.250 -3.481 -10.862 1.00 0.00 C ATOM 630 CD ARG A 398 -1.704 -3.168 -10.544 1.00 0.00 C ATOM 631 NE ARG A 398 -2.557 -4.348 -10.662 1.00 0.00 N ATOM 632 CZ ARG A 398 -3.856 -4.347 -10.388 1.00 0.00 C ATOM 633 NH1 ARG A 398 -4.450 -3.233 -9.984 1.00 0.00 N ATOM 634 NH2 ARG A 398 -4.565 -5.461 -10.520 1.00 0.00 N ATOM 0 H ARG A 398 -0.115 -3.691 -7.308 1.00 0.00 H new ATOM 0 HA ARG A 398 1.727 -4.670 -9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 398 0.150 -2.070 -9.305 1.00 0.00 H new ATOM 0 HB3 ARG A 398 1.499 -2.344 -10.389 1.00 0.00 H new ATOM 0 HG2 ARG A 398 -0.010 -3.123 -11.863 1.00 0.00 H new ATOM 0 HG3 ARG A 398 -0.101 -4.561 -10.865 1.00 0.00 H new ATOM 0 HD2 ARG A 398 -1.776 -2.769 -9.532 1.00 0.00 H new ATOM 0 HD3 ARG A 398 -2.064 -2.392 -11.219 1.00 0.00 H new ATOM 0 HE ARG A 398 -2.131 -5.221 -10.972 1.00 0.00 H new ATOM 0 HH11 ARG A 398 -3.909 -2.374 -9.883 1.00 0.00 H new ATOM 0 HH12 ARG A 398 -5.448 -3.235 -9.774 1.00 0.00 H new ATOM 0 HH21 ARG A 398 -4.112 -6.320 -10.832 1.00 0.00 H new ATOM 0 HH22 ARG A 398 -5.563 -5.458 -10.309 1.00 0.00 H new ATOM 648 N PHE A 399 3.638 -3.466 -8.378 1.00 0.00 N ATOM 649 CA PHE A 399 4.781 -2.888 -7.680 1.00 0.00 C ATOM 650 C PHE A 399 5.726 -2.199 -8.660 1.00 0.00 C ATOM 651 O PHE A 399 5.949 -2.682 -9.770 1.00 0.00 O ATOM 652 CB PHE A 399 5.534 -3.972 -6.905 1.00 0.00 C ATOM 653 CG PHE A 399 4.693 -4.660 -5.868 1.00 0.00 C ATOM 654 CD1 PHE A 399 3.918 -5.758 -6.202 1.00 0.00 C ATOM 655 CD2 PHE A 399 4.680 -4.208 -4.558 1.00 0.00 C ATOM 656 CE1 PHE A 399 3.144 -6.394 -5.249 1.00 0.00 C ATOM 657 CE2 PHE A 399 3.908 -4.840 -3.601 1.00 0.00 C ATOM 658 CZ PHE A 399 3.138 -5.933 -3.947 1.00 0.00 C ATOM 0 H PHE A 399 3.885 -4.114 -9.126 1.00 0.00 H new ATOM 0 HA PHE A 399 4.407 -2.142 -6.978 1.00 0.00 H new ATOM 0 HB2 PHE A 399 5.910 -4.715 -7.608 1.00 0.00 H new ATOM 0 HB3 PHE A 399 6.401 -3.525 -6.420 1.00 0.00 H new ATOM 0 HD1 PHE A 399 3.918 -6.122 -7.219 1.00 0.00 H new ATOM 0 HD2 PHE A 399 5.279 -3.353 -4.282 1.00 0.00 H new ATOM 0 HE1 PHE A 399 2.545 -7.250 -5.522 1.00 0.00 H new ATOM 0 HE2 PHE A 399 3.907 -4.479 -2.583 1.00 0.00 H new ATOM 0 HZ PHE A 399 2.532 -6.426 -3.201 1.00 0.00 H new ATOM 668 N LYS A 400 6.278 -1.065 -8.242 1.00 0.00 N ATOM 669 CA LYS A 400 7.199 -0.308 -9.080 1.00 0.00 C ATOM 670 C LYS A 400 8.648 -0.611 -8.709 1.00 0.00 C ATOM 671 O LYS A 400 9.543 0.197 -8.956 1.00 0.00 O ATOM 672 CB LYS A 400 6.930 1.193 -8.943 1.00 0.00 C ATOM 673 CG LYS A 400 6.843 1.919 -10.274 1.00 0.00 C ATOM 674 CD LYS A 400 5.485 2.572 -10.466 1.00 0.00 C ATOM 675 CE LYS A 400 5.598 3.876 -11.240 1.00 0.00 C ATOM 676 NZ LYS A 400 5.844 3.641 -12.690 1.00 0.00 N ATOM 0 H LYS A 400 6.103 -0.650 -7.327 1.00 0.00 H new ATOM 0 HA LYS A 400 7.037 -0.607 -10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 400 5.997 1.338 -8.398 1.00 0.00 H new ATOM 0 HB3 LYS A 400 7.722 1.643 -8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 400 7.623 2.678 -10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 400 7.027 1.215 -11.086 1.00 0.00 H new ATOM 0 HD2 LYS A 400 4.823 1.888 -10.998 1.00 0.00 H new ATOM 0 HD3 LYS A 400 5.031 2.763 -9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 400 4.681 4.453 -11.116 1.00 0.00 H new ATOM 0 HE3 LYS A 400 6.410 4.475 -10.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 5.915 4.554 -13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 6.732 3.113 -12.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 5.057 3.092 -13.091 1.00 0.00 H new ATOM 690 N ARG A 401 8.869 -1.779 -8.115 1.00 0.00 N ATOM 691 CA ARG A 401 10.209 -2.188 -7.710 1.00 0.00 C ATOM 692 C ARG A 401 10.333 -3.708 -7.700 1.00 0.00 C ATOM 693 O ARG A 401 9.348 -4.422 -7.512 1.00 0.00 O ATOM 694 CB ARG A 401 10.539 -1.629 -6.325 1.00 0.00 C ATOM 695 CG ARG A 401 9.396 -1.752 -5.331 1.00 0.00 C ATOM 696 CD ARG A 401 8.632 -0.444 -5.195 1.00 0.00 C ATOM 697 NE ARG A 401 9.217 0.429 -4.181 1.00 0.00 N ATOM 698 CZ ARG A 401 8.693 1.597 -3.826 1.00 0.00 C ATOM 699 NH1 ARG A 401 7.579 2.029 -4.400 1.00 0.00 N ATOM 700 NH2 ARG A 401 9.284 2.335 -2.895 1.00 0.00 N ATOM 0 H ARG A 401 8.138 -2.458 -7.904 1.00 0.00 H new ATOM 0 HA ARG A 401 10.919 -1.788 -8.434 1.00 0.00 H new ATOM 0 HB2 ARG A 401 11.411 -2.151 -5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 401 10.813 -0.579 -6.422 1.00 0.00 H new ATOM 0 HG2 ARG A 401 8.716 -2.540 -5.653 1.00 0.00 H new ATOM 0 HG3 ARG A 401 9.789 -2.048 -4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 401 8.622 0.072 -6.155 1.00 0.00 H new ATOM 0 HD3 ARG A 401 7.594 -0.655 -4.936 1.00 0.00 H new ATOM 0 HE ARG A 401 10.075 0.125 -3.720 1.00 0.00 H new ATOM 0 HH11 ARG A 401 7.122 1.464 -5.116 1.00 0.00 H new ATOM 0 HH12 ARG A 401 7.179 2.926 -4.126 1.00 0.00 H new ATOM 0 HH21 ARG A 401 10.141 2.006 -2.451 1.00 0.00 H new ATOM 0 HH22 ARG A 401 8.881 3.232 -2.623 1.00 0.00 H new ATOM 714 N LYS A 402 11.551 -4.199 -7.906 1.00 0.00 N ATOM 715 CA LYS A 402 11.806 -5.634 -7.920 1.00 0.00 C ATOM 716 C LYS A 402 12.132 -6.143 -6.519 1.00 0.00 C ATOM 717 O LYS A 402 12.128 -7.348 -6.270 1.00 0.00 O ATOM 718 CB LYS A 402 12.959 -5.958 -8.872 1.00 0.00 C ATOM 719 CG LYS A 402 12.580 -5.865 -10.340 1.00 0.00 C ATOM 720 CD LYS A 402 13.066 -7.076 -11.119 1.00 0.00 C ATOM 721 CE LYS A 402 12.008 -8.168 -11.169 1.00 0.00 C ATOM 722 NZ LYS A 402 12.568 -9.500 -10.810 1.00 0.00 N ATOM 0 H LYS A 402 12.377 -3.623 -8.066 1.00 0.00 H new ATOM 0 HA LYS A 402 10.903 -6.135 -8.268 1.00 0.00 H new ATOM 0 HB2 LYS A 402 13.785 -5.275 -8.675 1.00 0.00 H new ATOM 0 HB3 LYS A 402 13.321 -6.965 -8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 402 11.497 -5.782 -10.433 1.00 0.00 H new ATOM 0 HG3 LYS A 402 13.007 -4.959 -10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 402 13.329 -6.776 -12.133 1.00 0.00 H new ATOM 0 HD3 LYS A 402 13.973 -7.467 -10.657 1.00 0.00 H new ATOM 0 HE2 LYS A 402 11.197 -7.919 -10.485 1.00 0.00 H new ATOM 0 HE3 LYS A 402 11.579 -8.212 -12.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 11.816 -10.217 -10.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 13.325 -9.750 -11.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 12.955 -9.465 -9.845 1.00 0.00 H new ATOM 736 N ASP A 403 12.410 -5.217 -5.608 1.00 0.00 N ATOM 737 CA ASP A 403 12.735 -5.572 -4.232 1.00 0.00 C ATOM 738 C ASP A 403 11.473 -5.921 -3.449 1.00 0.00 C ATOM 739 O ASP A 403 11.532 -6.626 -2.441 1.00 0.00 O ATOM 740 CB ASP A 403 13.473 -4.421 -3.546 1.00 0.00 C ATOM 741 CG ASP A 403 14.700 -3.978 -4.318 1.00 0.00 C ATOM 742 OD1 ASP A 403 15.608 -4.812 -4.518 1.00 0.00 O ATOM 743 OD2 ASP A 403 14.754 -2.798 -4.723 1.00 0.00 O ATOM 0 H ASP A 403 12.417 -4.215 -5.798 1.00 0.00 H new ATOM 0 HA ASP A 403 13.383 -6.448 -4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 403 12.795 -3.576 -3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 403 13.770 -4.730 -2.544 1.00 0.00 H new ATOM 748 N ARG A 404 10.334 -5.423 -3.918 1.00 0.00 N ATOM 749 CA ARG A 404 9.059 -5.681 -3.261 1.00 0.00 C ATOM 750 C ARG A 404 8.371 -6.900 -3.868 1.00 0.00 C ATOM 751 O ARG A 404 8.089 -7.876 -3.174 1.00 0.00 O ATOM 752 CB ARG A 404 8.146 -4.459 -3.374 1.00 0.00 C ATOM 753 CG ARG A 404 8.233 -3.522 -2.179 1.00 0.00 C ATOM 754 CD ARG A 404 9.661 -3.060 -1.936 1.00 0.00 C ATOM 755 NE ARG A 404 9.726 -1.642 -1.592 1.00 0.00 N ATOM 756 CZ ARG A 404 9.269 -1.142 -0.449 1.00 0.00 C ATOM 757 NH1 ARG A 404 8.717 -1.940 0.454 1.00 0.00 N ATOM 758 NH2 ARG A 404 9.364 0.160 -0.209 1.00 0.00 N ATOM 0 H ARG A 404 10.268 -4.838 -4.751 1.00 0.00 H new ATOM 0 HA ARG A 404 9.256 -5.883 -2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 404 8.402 -3.906 -4.278 1.00 0.00 H new ATOM 0 HB3 ARG A 404 7.115 -4.795 -3.487 1.00 0.00 H new ATOM 0 HG2 ARG A 404 7.593 -2.656 -2.347 1.00 0.00 H new ATOM 0 HG3 ARG A 404 7.857 -4.028 -1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 404 10.101 -3.649 -1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 404 10.259 -3.244 -2.829 1.00 0.00 H new ATOM 0 HE ARG A 404 10.145 -1.001 -2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 404 8.642 -2.941 0.272 1.00 0.00 H new ATOM 0 HH12 ARG A 404 8.367 -1.553 1.331 1.00 0.00 H new ATOM 0 HH21 ARG A 404 9.788 0.777 -0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 404 9.013 0.544 0.668 1.00 0.00 H new ATOM 772 N MET A 405 8.104 -6.836 -5.169 1.00 0.00 N ATOM 773 CA MET A 405 7.450 -7.935 -5.869 1.00 0.00 C ATOM 774 C MET A 405 8.167 -9.254 -5.602 1.00 0.00 C ATOM 775 O MET A 405 7.540 -10.311 -5.540 1.00 0.00 O ATOM 776 CB MET A 405 7.411 -7.658 -7.373 1.00 0.00 C ATOM 777 CG MET A 405 8.787 -7.590 -8.015 1.00 0.00 C ATOM 778 SD MET A 405 9.319 -9.176 -8.688 1.00 0.00 S ATOM 779 CE MET A 405 8.151 -9.383 -10.030 1.00 0.00 C ATOM 0 H MET A 405 8.330 -6.035 -5.759 1.00 0.00 H new ATOM 0 HA MET A 405 6.430 -8.015 -5.494 1.00 0.00 H new ATOM 0 HB2 MET A 405 6.829 -8.439 -7.863 1.00 0.00 H new ATOM 0 HB3 MET A 405 6.891 -6.716 -7.547 1.00 0.00 H new ATOM 0 HG2 MET A 405 8.775 -6.847 -8.812 1.00 0.00 H new ATOM 0 HG3 MET A 405 9.513 -7.252 -7.275 1.00 0.00 H new ATOM 0 HE1 MET A 405 8.078 -10.439 -10.289 1.00 0.00 H new ATOM 0 HE2 MET A 405 7.172 -9.017 -9.720 1.00 0.00 H new ATOM 0 HE3 MET A 405 8.491 -8.819 -10.899 1.00 0.00 H new ATOM 789 N SER A 406 9.485 -9.184 -5.444 1.00 0.00 N ATOM 790 CA SER A 406 10.289 -10.374 -5.188 1.00 0.00 C ATOM 791 C SER A 406 9.929 -10.991 -3.839 1.00 0.00 C ATOM 792 O SER A 406 9.706 -12.198 -3.736 1.00 0.00 O ATOM 793 CB SER A 406 11.778 -10.027 -5.222 1.00 0.00 C ATOM 794 OG SER A 406 12.550 -11.027 -4.579 1.00 0.00 O ATOM 0 H SER A 406 10.019 -8.316 -5.489 1.00 0.00 H new ATOM 0 HA SER A 406 10.076 -11.102 -5.971 1.00 0.00 H new ATOM 0 HB2 SER A 406 12.106 -9.919 -6.256 1.00 0.00 H new ATOM 0 HB3 SER A 406 11.942 -9.066 -4.734 1.00 0.00 H new ATOM 0 HG SER A 406 13.498 -10.782 -4.616 1.00 0.00 H new ATOM 800 N TYR A 407 9.876 -10.155 -2.809 1.00 0.00 N ATOM 801 CA TYR A 407 9.547 -10.617 -1.466 1.00 0.00 C ATOM 802 C TYR A 407 8.053 -10.901 -1.338 1.00 0.00 C ATOM 803 O TYR A 407 7.621 -11.624 -0.440 1.00 0.00 O ATOM 804 CB TYR A 407 9.970 -9.577 -0.427 1.00 0.00 C ATOM 805 CG TYR A 407 11.464 -9.518 -0.204 1.00 0.00 C ATOM 806 CD1 TYR A 407 12.209 -10.680 -0.045 1.00 0.00 C ATOM 807 CD2 TYR A 407 12.131 -8.300 -0.150 1.00 0.00 C ATOM 808 CE1 TYR A 407 13.574 -10.631 0.160 1.00 0.00 C ATOM 809 CE2 TYR A 407 13.496 -8.242 0.053 1.00 0.00 C ATOM 810 CZ TYR A 407 14.213 -9.410 0.208 1.00 0.00 C ATOM 811 OH TYR A 407 15.573 -9.356 0.412 1.00 0.00 O ATOM 0 H TYR A 407 10.057 -9.154 -2.878 1.00 0.00 H new ATOM 0 HA TYR A 407 10.092 -11.544 -1.285 1.00 0.00 H new ATOM 0 HB2 TYR A 407 9.619 -8.595 -0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 407 9.478 -9.800 0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 407 11.712 -11.638 -0.082 1.00 0.00 H new ATOM 0 HD2 TYR A 407 11.573 -7.383 -0.269 1.00 0.00 H new ATOM 0 HE1 TYR A 407 14.138 -11.544 0.282 1.00 0.00 H new ATOM 0 HE2 TYR A 407 13.999 -7.287 0.090 1.00 0.00 H new ATOM 0 HH TYR A 407 15.866 -8.421 0.418 1.00 0.00 H new ATOM 821 N HIS A 408 7.269 -10.327 -2.244 1.00 0.00 N ATOM 822 CA HIS A 408 5.823 -10.518 -2.235 1.00 0.00 C ATOM 823 C HIS A 408 5.445 -11.840 -2.896 1.00 0.00 C ATOM 824 O HIS A 408 4.682 -12.629 -2.339 1.00 0.00 O ATOM 825 CB HIS A 408 5.129 -9.359 -2.953 1.00 0.00 C ATOM 826 CG HIS A 408 3.647 -9.534 -3.079 1.00 0.00 C ATOM 827 ND1 HIS A 408 2.766 -9.254 -2.056 1.00 0.00 N ATOM 828 CD2 HIS A 408 2.892 -9.962 -4.118 1.00 0.00 C ATOM 829 CE1 HIS A 408 1.533 -9.503 -2.459 1.00 0.00 C ATOM 830 NE2 HIS A 408 1.582 -9.934 -3.707 1.00 0.00 N ATOM 0 H HIS A 408 7.610 -9.726 -2.994 1.00 0.00 H new ATOM 0 HA HIS A 408 5.492 -10.543 -1.197 1.00 0.00 H new ATOM 0 HB2 HIS A 408 5.333 -8.434 -2.414 1.00 0.00 H new ATOM 0 HB3 HIS A 408 5.560 -9.249 -3.948 1.00 0.00 H new ATOM 0 HD1 HIS A 408 3.026 -8.908 -1.132 1.00 0.00 H new ATOM 0 HD2 HIS A 408 3.253 -10.268 -5.089 1.00 0.00 H new ATOM 0 HE1 HIS A 408 0.637 -9.376 -1.869 1.00 0.00 H new ATOM 838 N VAL A 409 5.985 -12.076 -4.088 1.00 0.00 N ATOM 839 CA VAL A 409 5.705 -13.302 -4.825 1.00 0.00 C ATOM 840 C VAL A 409 6.242 -14.522 -4.086 1.00 0.00 C ATOM 841 O VAL A 409 5.486 -15.423 -3.722 1.00 0.00 O ATOM 842 CB VAL A 409 6.317 -13.260 -6.238 1.00 0.00 C ATOM 843 CG1 VAL A 409 6.047 -14.562 -6.976 1.00 0.00 C ATOM 844 CG2 VAL A 409 5.775 -12.073 -7.018 1.00 0.00 C ATOM 0 H VAL A 409 6.619 -11.434 -4.563 1.00 0.00 H new ATOM 0 HA VAL A 409 4.621 -13.380 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 409 7.396 -13.141 -6.144 1.00 0.00 H new ATOM 0 HG11 VAL A 409 6.487 -14.514 -7.972 1.00 0.00 H new ATOM 0 HG12 VAL A 409 6.489 -15.391 -6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 409 4.971 -14.715 -7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 409 6.218 -12.059 -8.014 1.00 0.00 H new ATOM 0 HG22 VAL A 409 4.692 -12.158 -7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 409 6.026 -11.150 -6.496 1.00 0.00 H new ATOM 854 N ARG A 410 7.553 -14.544 -3.867 1.00 0.00 N ATOM 855 CA ARG A 410 8.193 -15.655 -3.171 1.00 0.00 C ATOM 856 C ARG A 410 7.497 -15.937 -1.843 1.00 0.00 C ATOM 857 O ARG A 410 7.389 -17.088 -1.420 1.00 0.00 O ATOM 858 CB ARG A 410 9.672 -15.348 -2.929 1.00 0.00 C ATOM 859 CG ARG A 410 10.430 -14.969 -4.191 1.00 0.00 C ATOM 860 CD ARG A 410 11.370 -16.080 -4.631 1.00 0.00 C ATOM 861 NE ARG A 410 12.466 -15.576 -5.453 1.00 0.00 N ATOM 862 CZ ARG A 410 13.416 -16.349 -5.967 1.00 0.00 C ATOM 863 NH1 ARG A 410 13.404 -17.656 -5.743 1.00 0.00 N ATOM 864 NH2 ARG A 410 14.381 -15.816 -6.705 1.00 0.00 N ATOM 0 H ARG A 410 8.193 -13.806 -4.161 1.00 0.00 H new ATOM 0 HA ARG A 410 8.111 -16.541 -3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 410 9.752 -14.534 -2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 410 10.146 -16.220 -2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 410 9.722 -14.752 -4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 410 11.000 -14.057 -4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 410 11.777 -16.580 -3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 410 10.810 -16.828 -5.193 1.00 0.00 H new ATOM 0 HE ARG A 410 12.504 -14.575 -5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 410 12.664 -18.069 -5.175 1.00 0.00 H new ATOM 0 HH12 ARG A 410 14.134 -18.248 -6.139 1.00 0.00 H new ATOM 0 HH21 ARG A 410 14.394 -14.811 -6.879 1.00 0.00 H new ATOM 0 HH22 ARG A 410 15.110 -16.411 -7.099 1.00 0.00 H new ATOM 878 N SER A 411 7.026 -14.879 -1.191 1.00 0.00 N ATOM 879 CA SER A 411 6.344 -15.013 0.091 1.00 0.00 C ATOM 880 C SER A 411 5.202 -16.021 -0.003 1.00 0.00 C ATOM 881 O SER A 411 4.850 -16.672 0.981 1.00 0.00 O ATOM 882 CB SER A 411 5.806 -13.657 0.551 1.00 0.00 C ATOM 883 OG SER A 411 4.550 -13.797 1.192 1.00 0.00 O ATOM 0 H SER A 411 7.104 -13.920 -1.529 1.00 0.00 H new ATOM 0 HA SER A 411 7.066 -15.376 0.822 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.517 -13.193 1.235 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.708 -12.991 -0.307 1.00 0.00 H new ATOM 0 HG SER A 411 4.229 -12.916 1.478 1.00 0.00 H new ATOM 889 N HIS A 412 4.627 -16.144 -1.195 1.00 0.00 N ATOM 890 CA HIS A 412 3.525 -17.072 -1.420 1.00 0.00 C ATOM 891 C HIS A 412 4.046 -18.484 -1.669 1.00 0.00 C ATOM 892 O HIS A 412 3.574 -19.446 -1.063 1.00 0.00 O ATOM 893 CB HIS A 412 2.677 -16.613 -2.607 1.00 0.00 C ATOM 894 CG HIS A 412 2.183 -15.204 -2.480 1.00 0.00 C ATOM 895 ND1 HIS A 412 1.492 -14.746 -1.378 1.00 0.00 N ATOM 896 CD2 HIS A 412 2.284 -14.151 -3.324 1.00 0.00 C ATOM 897 CE1 HIS A 412 1.188 -13.472 -1.551 1.00 0.00 C ATOM 898 NE2 HIS A 412 1.658 -13.087 -2.723 1.00 0.00 N ATOM 0 H HIS A 412 4.906 -15.613 -2.020 1.00 0.00 H new ATOM 0 HA HIS A 412 2.905 -17.085 -0.523 1.00 0.00 H new ATOM 0 HB2 HIS A 412 3.266 -16.702 -3.520 1.00 0.00 H new ATOM 0 HB3 HIS A 412 1.822 -17.281 -2.712 1.00 0.00 H new ATOM 0 HD2 HIS A 412 2.767 -14.148 -4.290 1.00 0.00 H new ATOM 0 HE1 HIS A 412 0.647 -12.851 -0.852 1.00 0.00 H new ATOM 0 HE2 HIS A 412 1.570 -12.151 -3.118 1.00 0.00 H new ATOM 959 N LYS A 418 2.972 -28.969 -4.530 1.00 0.00 N ATOM 960 CA LYS A 418 2.862 -29.654 -5.813 1.00 0.00 C ATOM 961 C LYS A 418 4.143 -30.416 -6.135 1.00 0.00 C ATOM 962 O LYS A 418 5.220 -30.112 -5.622 1.00 0.00 O ATOM 963 CB LYS A 418 2.561 -28.648 -6.927 1.00 0.00 C ATOM 964 CG LYS A 418 1.114 -28.186 -6.954 1.00 0.00 C ATOM 965 CD LYS A 418 0.164 -29.342 -7.221 1.00 0.00 C ATOM 966 CE LYS A 418 -1.208 -28.847 -7.652 1.00 0.00 C ATOM 967 NZ LYS A 418 -1.757 -27.840 -6.702 1.00 0.00 N ATOM 0 HA LYS A 418 2.042 -30.369 -5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 418 3.209 -27.780 -6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 418 2.808 -29.098 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 418 0.862 -27.720 -6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 418 0.988 -27.425 -7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 418 0.580 -29.985 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 418 0.067 -29.950 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 418 -1.140 -28.408 -8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 418 -1.893 -29.692 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 -2.763 -27.678 -6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 -1.658 -28.191 -5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 -1.234 -26.947 -6.803 1.00 0.00 H new ATOM 981 N PRO A 419 4.026 -31.431 -7.004 1.00 0.00 N ATOM 982 CA PRO A 419 5.166 -32.256 -7.415 1.00 0.00 C ATOM 983 C PRO A 419 6.151 -31.489 -8.291 1.00 0.00 C ATOM 984 O PRO A 419 7.359 -31.517 -8.054 1.00 0.00 O ATOM 985 CB PRO A 419 4.514 -33.390 -8.210 1.00 0.00 C ATOM 986 CG PRO A 419 3.234 -32.815 -8.711 1.00 0.00 C ATOM 987 CD PRO A 419 2.773 -31.850 -7.654 1.00 0.00 C ATOM 0 HA PRO A 419 5.751 -32.597 -6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 419 5.151 -33.714 -9.033 1.00 0.00 H new ATOM 0 HB3 PRO A 419 4.337 -34.263 -7.582 1.00 0.00 H new ATOM 0 HG2 PRO A 419 3.380 -32.308 -9.665 1.00 0.00 H new ATOM 0 HG3 PRO A 419 2.493 -33.597 -8.876 1.00 0.00 H new ATOM 0 HD2 PRO A 419 2.242 -31.002 -8.088 1.00 0.00 H new ATOM 0 HD3 PRO A 419 2.092 -32.324 -6.947 1.00 0.00 H new ATOM 995 N TYR A 420 5.628 -30.805 -9.302 1.00 0.00 N ATOM 996 CA TYR A 420 6.462 -30.032 -10.215 1.00 0.00 C ATOM 997 C TYR A 420 6.098 -28.552 -10.164 1.00 0.00 C ATOM 998 O TYR A 420 4.922 -28.192 -10.114 1.00 0.00 O ATOM 999 CB TYR A 420 6.313 -30.557 -11.644 1.00 0.00 C ATOM 1000 CG TYR A 420 6.656 -32.022 -11.791 1.00 0.00 C ATOM 1001 CD1 TYR A 420 7.979 -32.447 -11.806 1.00 0.00 C ATOM 1002 CD2 TYR A 420 5.658 -32.981 -11.912 1.00 0.00 C ATOM 1003 CE1 TYR A 420 8.297 -33.785 -11.941 1.00 0.00 C ATOM 1004 CE2 TYR A 420 5.967 -34.320 -12.046 1.00 0.00 C ATOM 1005 CZ TYR A 420 7.288 -34.718 -12.060 1.00 0.00 C ATOM 1006 OH TYR A 420 7.601 -36.051 -12.193 1.00 0.00 O ATOM 0 H TYR A 420 4.630 -30.770 -9.510 1.00 0.00 H new ATOM 0 HA TYR A 420 7.500 -30.143 -9.901 1.00 0.00 H new ATOM 0 HB2 TYR A 420 5.287 -30.398 -11.975 1.00 0.00 H new ATOM 0 HB3 TYR A 420 6.955 -29.974 -12.305 1.00 0.00 H new ATOM 0 HD1 TYR A 420 8.772 -31.720 -11.711 1.00 0.00 H new ATOM 0 HD2 TYR A 420 4.623 -32.674 -11.901 1.00 0.00 H new ATOM 0 HE1 TYR A 420 9.330 -34.099 -11.953 1.00 0.00 H new ATOM 0 HE2 TYR A 420 5.179 -35.052 -12.139 1.00 0.00 H new ATOM 0 HH TYR A 420 6.776 -36.575 -12.264 1.00 0.00 H new ATOM 1016 N ILE A 421 7.117 -27.698 -10.176 1.00 0.00 N ATOM 1017 CA ILE A 421 6.905 -26.257 -10.133 1.00 0.00 C ATOM 1018 C ILE A 421 7.630 -25.560 -11.280 1.00 0.00 C ATOM 1019 O ILE A 421 8.703 -25.990 -11.703 1.00 0.00 O ATOM 1020 CB ILE A 421 7.385 -25.657 -8.798 1.00 0.00 C ATOM 1021 CG1 ILE A 421 8.833 -26.067 -8.521 1.00 0.00 C ATOM 1022 CG2 ILE A 421 6.477 -26.101 -7.661 1.00 0.00 C ATOM 1023 CD1 ILE A 421 8.959 -27.382 -7.785 1.00 0.00 C ATOM 0 H ILE A 421 8.097 -27.980 -10.215 1.00 0.00 H new ATOM 0 HA ILE A 421 5.832 -26.093 -10.231 1.00 0.00 H new ATOM 0 HB ILE A 421 7.342 -24.570 -8.869 1.00 0.00 H new ATOM 0 HG12 ILE A 421 9.370 -26.137 -9.467 1.00 0.00 H new ATOM 0 HG13 ILE A 421 9.318 -25.285 -7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 421 6.829 -25.669 -6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 421 5.459 -25.764 -7.856 1.00 0.00 H new ATOM 0 HG23 ILE A 421 6.492 -27.188 -7.587 1.00 0.00 H new ATOM 0 HD11 ILE A 421 10.013 -27.609 -7.623 1.00 0.00 H new ATOM 0 HD12 ILE A 421 8.451 -27.311 -6.823 1.00 0.00 H new ATOM 0 HD13 ILE A 421 8.504 -28.176 -8.377 1.00 0.00 H new ATOM 1035 N CYS A 422 7.037 -24.481 -11.779 1.00 0.00 N ATOM 1036 CA CYS A 422 7.625 -23.722 -12.876 1.00 0.00 C ATOM 1037 C CYS A 422 9.074 -23.356 -12.568 1.00 0.00 C ATOM 1038 O CYS A 422 9.487 -23.338 -11.409 1.00 0.00 O ATOM 1039 CB CYS A 422 6.812 -22.454 -13.140 1.00 0.00 C ATOM 1040 SG CYS A 422 7.093 -21.719 -14.784 1.00 0.00 S ATOM 0 H CYS A 422 6.148 -24.112 -11.441 1.00 0.00 H new ATOM 0 HA CYS A 422 7.608 -24.348 -13.768 1.00 0.00 H new ATOM 0 HB2 CYS A 422 5.752 -22.686 -13.034 1.00 0.00 H new ATOM 0 HB3 CYS A 422 7.054 -21.714 -12.377 1.00 0.00 H new ATOM 0 HG CYS A 422 6.795 -20.454 -14.751 1.00 0.00 H new ATOM 1045 N GLN A 423 9.840 -23.063 -13.615 1.00 0.00 N ATOM 1046 CA GLN A 423 11.242 -22.697 -13.456 1.00 0.00 C ATOM 1047 C GLN A 423 11.400 -21.185 -13.341 1.00 0.00 C ATOM 1048 O GLN A 423 12.495 -20.683 -13.084 1.00 0.00 O ATOM 1049 CB GLN A 423 12.064 -23.220 -14.635 1.00 0.00 C ATOM 1050 CG GLN A 423 12.115 -24.738 -14.716 1.00 0.00 C ATOM 1051 CD GLN A 423 13.494 -25.292 -14.414 1.00 0.00 C ATOM 1052 OE1 GLN A 423 14.413 -25.177 -15.225 1.00 0.00 O ATOM 1053 NE2 GLN A 423 13.645 -25.897 -13.242 1.00 0.00 N ATOM 0 H GLN A 423 9.513 -23.072 -14.581 1.00 0.00 H new ATOM 0 HA GLN A 423 11.609 -23.153 -12.536 1.00 0.00 H new ATOM 0 HB2 GLN A 423 11.644 -22.829 -15.562 1.00 0.00 H new ATOM 0 HB3 GLN A 423 13.081 -22.834 -14.558 1.00 0.00 H new ATOM 0 HG2 GLN A 423 11.396 -25.160 -14.014 1.00 0.00 H new ATOM 0 HG3 GLN A 423 11.810 -25.055 -15.713 1.00 0.00 H new ATOM 0 HE21 GLN A 423 12.856 -25.970 -12.600 1.00 0.00 H new ATOM 0 HE22 GLN A 423 14.550 -26.289 -12.983 1.00 0.00 H new ATOM 1062 N SER A 424 10.301 -20.463 -13.535 1.00 0.00 N ATOM 1063 CA SER A 424 10.319 -19.007 -13.457 1.00 0.00 C ATOM 1064 C SER A 424 9.572 -18.520 -12.219 1.00 0.00 C ATOM 1065 O SER A 424 10.184 -18.109 -11.232 1.00 0.00 O ATOM 1066 CB SER A 424 9.694 -18.401 -14.715 1.00 0.00 C ATOM 1067 OG SER A 424 10.634 -18.339 -15.773 1.00 0.00 O ATOM 0 H SER A 424 9.387 -20.863 -13.747 1.00 0.00 H new ATOM 0 HA SER A 424 11.357 -18.684 -13.384 1.00 0.00 H new ATOM 0 HB2 SER A 424 8.835 -18.998 -15.022 1.00 0.00 H new ATOM 0 HB3 SER A 424 9.324 -17.400 -14.495 1.00 0.00 H new ATOM 0 HG SER A 424 10.209 -17.950 -16.566 1.00 0.00 H new ATOM 1073 N CYS A 425 8.246 -18.568 -12.279 1.00 0.00 N ATOM 1074 CA CYS A 425 7.413 -18.132 -11.164 1.00 0.00 C ATOM 1075 C CYS A 425 7.411 -19.171 -10.047 1.00 0.00 C ATOM 1076 O CYS A 425 7.044 -18.876 -8.911 1.00 0.00 O ATOM 1077 CB CYS A 425 5.982 -17.875 -11.640 1.00 0.00 C ATOM 1078 SG CYS A 425 5.167 -19.333 -12.366 1.00 0.00 S ATOM 0 H CYS A 425 7.724 -18.905 -13.088 1.00 0.00 H new ATOM 0 HA CYS A 425 7.830 -17.205 -10.772 1.00 0.00 H new ATOM 0 HB2 CYS A 425 5.388 -17.522 -10.797 1.00 0.00 H new ATOM 0 HB3 CYS A 425 5.995 -17.074 -12.379 1.00 0.00 H new ATOM 0 HG CYS A 425 4.871 -19.091 -13.608 1.00 0.00 H new ATOM 1083 N GLY A 426 7.824 -20.390 -10.380 1.00 0.00 N ATOM 1084 CA GLY A 426 7.862 -21.455 -9.395 1.00 0.00 C ATOM 1085 C GLY A 426 6.572 -21.563 -8.607 1.00 0.00 C ATOM 1086 O GLY A 426 6.565 -21.403 -7.386 1.00 0.00 O ATOM 0 H GLY A 426 8.133 -20.659 -11.314 1.00 0.00 H new ATOM 0 HA2 GLY A 426 8.058 -22.403 -9.897 1.00 0.00 H new ATOM 0 HA3 GLY A 426 8.690 -21.281 -8.708 1.00 0.00 H new ATOM 1090 N LYS A 427 5.474 -21.832 -9.305 1.00 0.00 N ATOM 1091 CA LYS A 427 4.171 -21.960 -8.665 1.00 0.00 C ATOM 1092 C LYS A 427 3.925 -23.396 -8.214 1.00 0.00 C ATOM 1093 O LYS A 427 4.023 -23.710 -7.028 1.00 0.00 O ATOM 1094 CB LYS A 427 3.063 -21.519 -9.624 1.00 0.00 C ATOM 1095 CG LYS A 427 1.665 -21.667 -9.047 1.00 0.00 C ATOM 1096 CD LYS A 427 0.616 -21.069 -9.969 1.00 0.00 C ATOM 1097 CE LYS A 427 -0.775 -21.155 -9.360 1.00 0.00 C ATOM 1098 NZ LYS A 427 -1.446 -22.443 -9.688 1.00 0.00 N ATOM 0 H LYS A 427 5.461 -21.966 -10.316 1.00 0.00 H new ATOM 0 HA LYS A 427 4.161 -21.315 -7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 427 3.225 -20.477 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 427 3.133 -22.105 -10.541 1.00 0.00 H new ATOM 0 HG2 LYS A 427 1.448 -22.722 -8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 427 1.618 -21.177 -8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 427 0.861 -20.027 -10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 427 0.629 -21.593 -10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 427 -0.705 -21.048 -8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 427 -1.382 -20.326 -9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 -2.391 -22.462 -9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 -1.536 -22.534 -10.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 -0.880 -23.233 -9.319 1.00 0.00 H new ATOM 1112 N GLY A 428 3.607 -24.266 -9.168 1.00 0.00 N ATOM 1113 CA GLY A 428 3.354 -25.659 -8.848 1.00 0.00 C ATOM 1114 C GLY A 428 2.145 -26.210 -9.577 1.00 0.00 C ATOM 1115 O GLY A 428 1.103 -25.558 -9.647 1.00 0.00 O ATOM 0 H GLY A 428 3.520 -24.031 -10.157 1.00 0.00 H new ATOM 0 HA2 GLY A 428 4.231 -26.253 -9.105 1.00 0.00 H new ATOM 0 HA3 GLY A 428 3.204 -25.760 -7.773 1.00 0.00 H new ATOM 1119 N PHE A 429 2.283 -27.414 -10.122 1.00 0.00 N ATOM 1120 CA PHE A 429 1.193 -28.052 -10.852 1.00 0.00 C ATOM 1121 C PHE A 429 1.095 -29.533 -10.497 1.00 0.00 C ATOM 1122 O PHE A 429 2.109 -30.217 -10.356 1.00 0.00 O ATOM 1123 CB PHE A 429 1.397 -27.890 -12.359 1.00 0.00 C ATOM 1124 CG PHE A 429 1.162 -26.489 -12.848 1.00 0.00 C ATOM 1125 CD1 PHE A 429 2.143 -25.520 -12.713 1.00 0.00 C ATOM 1126 CD2 PHE A 429 -0.041 -26.141 -13.443 1.00 0.00 C ATOM 1127 CE1 PHE A 429 1.930 -24.231 -13.162 1.00 0.00 C ATOM 1128 CE2 PHE A 429 -0.259 -24.853 -13.894 1.00 0.00 C ATOM 1129 CZ PHE A 429 0.727 -23.897 -13.753 1.00 0.00 C ATOM 0 H PHE A 429 3.138 -27.968 -10.072 1.00 0.00 H new ATOM 0 HA PHE A 429 0.262 -27.565 -10.564 1.00 0.00 H new ATOM 0 HB2 PHE A 429 2.413 -28.190 -12.614 1.00 0.00 H new ATOM 0 HB3 PHE A 429 0.723 -28.567 -12.884 1.00 0.00 H new ATOM 0 HD1 PHE A 429 3.085 -25.775 -12.251 1.00 0.00 H new ATOM 0 HD2 PHE A 429 -0.816 -26.885 -13.555 1.00 0.00 H new ATOM 0 HE1 PHE A 429 2.703 -23.485 -13.051 1.00 0.00 H new ATOM 0 HE2 PHE A 429 -1.200 -24.594 -14.356 1.00 0.00 H new ATOM 0 HZ PHE A 429 0.558 -22.890 -14.104 1.00 0.00 H new ATOM 1139 N SER A 430 -0.133 -30.021 -10.354 1.00 0.00 N ATOM 1140 CA SER A 430 -0.364 -31.420 -10.011 1.00 0.00 C ATOM 1141 C SER A 430 0.346 -32.345 -10.995 1.00 0.00 C ATOM 1142 O SER A 430 1.062 -33.263 -10.595 1.00 0.00 O ATOM 1143 CB SER A 430 -1.864 -31.723 -10.000 1.00 0.00 C ATOM 1144 OG SER A 430 -2.236 -32.410 -8.818 1.00 0.00 O ATOM 0 H SER A 430 -0.983 -29.469 -10.470 1.00 0.00 H new ATOM 0 HA SER A 430 0.043 -31.597 -9.015 1.00 0.00 H new ATOM 0 HB2 SER A 430 -2.427 -30.793 -10.076 1.00 0.00 H new ATOM 0 HB3 SER A 430 -2.123 -32.325 -10.871 1.00 0.00 H new ATOM 0 HG SER A 430 -3.199 -32.591 -8.834 1.00 0.00 H new ATOM 1150 N ARG A 431 0.141 -32.096 -12.284 1.00 0.00 N ATOM 1151 CA ARG A 431 0.760 -32.907 -13.326 1.00 0.00 C ATOM 1152 C ARG A 431 1.863 -32.128 -14.038 1.00 0.00 C ATOM 1153 O ARG A 431 1.920 -30.899 -13.989 1.00 0.00 O ATOM 1154 CB ARG A 431 -0.292 -33.363 -14.339 1.00 0.00 C ATOM 1155 CG ARG A 431 -0.760 -34.793 -14.129 1.00 0.00 C ATOM 1156 CD ARG A 431 -1.786 -34.885 -13.011 1.00 0.00 C ATOM 1157 NE ARG A 431 -1.757 -36.185 -12.347 1.00 0.00 N ATOM 1158 CZ ARG A 431 -2.356 -37.270 -12.826 1.00 0.00 C ATOM 1159 NH1 ARG A 431 -3.026 -37.210 -13.968 1.00 0.00 N ATOM 1160 NH2 ARG A 431 -2.283 -38.417 -12.163 1.00 0.00 N ATOM 0 H ARG A 431 -0.448 -31.340 -12.632 1.00 0.00 H new ATOM 0 HA ARG A 431 1.204 -33.783 -12.854 1.00 0.00 H new ATOM 0 HB2 ARG A 431 -1.152 -32.696 -14.282 1.00 0.00 H new ATOM 0 HB3 ARG A 431 0.119 -33.268 -15.344 1.00 0.00 H new ATOM 0 HG2 ARG A 431 -1.193 -35.175 -15.054 1.00 0.00 H new ATOM 0 HG3 ARG A 431 0.095 -35.426 -13.892 1.00 0.00 H new ATOM 0 HD2 ARG A 431 -1.596 -34.100 -12.279 1.00 0.00 H new ATOM 0 HD3 ARG A 431 -2.782 -34.708 -13.417 1.00 0.00 H new ATOM 0 HE ARG A 431 -1.249 -36.265 -11.466 1.00 0.00 H new ATOM 0 HH11 ARG A 431 -3.082 -36.330 -14.481 1.00 0.00 H new ATOM 0 HH12 ARG A 431 -3.485 -38.044 -14.334 1.00 0.00 H new ATOM 0 HH21 ARG A 431 -1.767 -38.466 -11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 431 -2.743 -39.249 -12.532 1.00 0.00 H new ATOM 1174 N PRO A 432 2.761 -32.859 -14.715 1.00 0.00 N ATOM 1175 CA PRO A 432 3.879 -32.258 -15.449 1.00 0.00 C ATOM 1176 C PRO A 432 3.417 -31.499 -16.688 1.00 0.00 C ATOM 1177 O PRO A 432 3.821 -30.359 -16.916 1.00 0.00 O ATOM 1178 CB PRO A 432 4.731 -33.465 -15.848 1.00 0.00 C ATOM 1179 CG PRO A 432 3.776 -34.608 -15.884 1.00 0.00 C ATOM 1180 CD PRO A 432 2.755 -34.328 -14.816 1.00 0.00 C ATOM 0 HA PRO A 432 4.413 -31.522 -14.848 1.00 0.00 H new ATOM 0 HB2 PRO A 432 5.203 -33.313 -16.819 1.00 0.00 H new ATOM 0 HB3 PRO A 432 5.531 -33.640 -15.129 1.00 0.00 H new ATOM 0 HG2 PRO A 432 3.304 -34.691 -16.863 1.00 0.00 H new ATOM 0 HG3 PRO A 432 4.289 -35.551 -15.696 1.00 0.00 H new ATOM 0 HD2 PRO A 432 1.771 -34.708 -15.091 1.00 0.00 H new ATOM 0 HD3 PRO A 432 3.024 -34.797 -13.870 1.00 0.00 H new ATOM 1188 N ASP A 433 2.568 -32.138 -17.485 1.00 0.00 N ATOM 1189 CA ASP A 433 2.050 -31.522 -18.701 1.00 0.00 C ATOM 1190 C ASP A 433 1.426 -30.163 -18.399 1.00 0.00 C ATOM 1191 O ASP A 433 1.554 -29.222 -19.182 1.00 0.00 O ATOM 1192 CB ASP A 433 1.016 -32.436 -19.361 1.00 0.00 C ATOM 1193 CG ASP A 433 1.590 -33.791 -19.725 1.00 0.00 C ATOM 1194 OD1 ASP A 433 2.789 -33.855 -20.069 1.00 0.00 O ATOM 1195 OD2 ASP A 433 0.841 -34.788 -19.666 1.00 0.00 O ATOM 0 H ASP A 433 2.224 -33.082 -17.311 1.00 0.00 H new ATOM 0 HA ASP A 433 2.884 -31.374 -19.387 1.00 0.00 H new ATOM 0 HB2 ASP A 433 0.172 -32.572 -18.685 1.00 0.00 H new ATOM 0 HB3 ASP A 433 0.631 -31.954 -20.260 1.00 0.00 H new ATOM 1200 N HIS A 434 0.749 -30.069 -17.258 1.00 0.00 N ATOM 1201 CA HIS A 434 0.105 -28.825 -16.853 1.00 0.00 C ATOM 1202 C HIS A 434 1.126 -27.698 -16.734 1.00 0.00 C ATOM 1203 O HIS A 434 0.788 -26.522 -16.880 1.00 0.00 O ATOM 1204 CB HIS A 434 -0.621 -29.013 -15.520 1.00 0.00 C ATOM 1205 CG HIS A 434 -1.794 -29.942 -15.603 1.00 0.00 C ATOM 1206 ND1 HIS A 434 -2.927 -29.794 -14.831 1.00 0.00 N ATOM 1207 CD2 HIS A 434 -2.005 -31.034 -16.374 1.00 0.00 C ATOM 1208 CE1 HIS A 434 -3.784 -30.756 -15.123 1.00 0.00 C ATOM 1209 NE2 HIS A 434 -3.249 -31.522 -16.057 1.00 0.00 N ATOM 0 H HIS A 434 0.633 -30.839 -16.599 1.00 0.00 H new ATOM 0 HA HIS A 434 -0.621 -28.554 -17.620 1.00 0.00 H new ATOM 0 HB2 HIS A 434 0.084 -29.396 -14.782 1.00 0.00 H new ATOM 0 HB3 HIS A 434 -0.962 -28.042 -15.161 1.00 0.00 H new ATOM 0 HD2 HIS A 434 -1.322 -31.445 -17.103 1.00 0.00 H new ATOM 0 HE1 HIS A 434 -4.757 -30.893 -14.674 1.00 0.00 H new ATOM 0 HE2 HIS A 434 -3.688 -32.342 -16.475 1.00 0.00 H new ATOM 1217 N LEU A 435 2.375 -28.063 -16.468 1.00 0.00 N ATOM 1218 CA LEU A 435 3.446 -27.082 -16.329 1.00 0.00 C ATOM 1219 C LEU A 435 4.088 -26.782 -17.680 1.00 0.00 C ATOM 1220 O LEU A 435 4.637 -25.701 -17.891 1.00 0.00 O ATOM 1221 CB LEU A 435 4.505 -27.589 -15.349 1.00 0.00 C ATOM 1222 CG LEU A 435 5.685 -26.652 -15.092 1.00 0.00 C ATOM 1223 CD1 LEU A 435 5.218 -25.384 -14.394 1.00 0.00 C ATOM 1224 CD2 LEU A 435 6.754 -27.354 -14.267 1.00 0.00 C ATOM 0 H LEU A 435 2.671 -29.031 -16.344 1.00 0.00 H new ATOM 0 HA LEU A 435 3.013 -26.160 -15.941 1.00 0.00 H new ATOM 0 HB2 LEU A 435 4.019 -27.798 -14.396 1.00 0.00 H new ATOM 0 HB3 LEU A 435 4.894 -28.536 -15.723 1.00 0.00 H new ATOM 0 HG LEU A 435 6.119 -26.375 -16.052 1.00 0.00 H new ATOM 0 HD11 LEU A 435 6.072 -24.729 -14.219 1.00 0.00 H new ATOM 0 HD12 LEU A 435 4.489 -24.871 -15.021 1.00 0.00 H new ATOM 0 HD13 LEU A 435 4.758 -25.642 -13.440 1.00 0.00 H new ATOM 0 HD21 LEU A 435 7.586 -26.672 -14.094 1.00 0.00 H new ATOM 0 HD22 LEU A 435 6.332 -27.661 -13.310 1.00 0.00 H new ATOM 0 HD23 LEU A 435 7.111 -28.232 -14.805 1.00 0.00 H new ATOM 1236 N ASN A 436 4.014 -27.746 -18.592 1.00 0.00 N ATOM 1237 CA ASN A 436 4.587 -27.585 -19.923 1.00 0.00 C ATOM 1238 C ASN A 436 3.922 -26.430 -20.665 1.00 0.00 C ATOM 1239 O ASN A 436 4.597 -25.560 -21.214 1.00 0.00 O ATOM 1240 CB ASN A 436 4.435 -28.878 -20.727 1.00 0.00 C ATOM 1241 CG ASN A 436 4.652 -28.664 -22.213 1.00 0.00 C ATOM 1242 OD1 ASN A 436 5.782 -28.708 -22.699 1.00 0.00 O ATOM 1243 ND2 ASN A 436 3.566 -28.431 -22.941 1.00 0.00 N ATOM 0 H ASN A 436 3.563 -28.647 -18.433 1.00 0.00 H new ATOM 0 HA ASN A 436 5.647 -27.359 -19.810 1.00 0.00 H new ATOM 0 HB2 ASN A 436 5.149 -29.616 -20.361 1.00 0.00 H new ATOM 0 HB3 ASN A 436 3.439 -29.289 -20.564 1.00 0.00 H new ATOM 0 HD21 ASN A 436 3.649 -28.279 -23.946 1.00 0.00 H new ATOM 0 HD22 ASN A 436 2.649 -28.404 -22.495 1.00 0.00 H new ATOM 1250 N GLY A 437 2.592 -26.429 -20.678 1.00 0.00 N ATOM 1251 CA GLY A 437 1.857 -25.377 -21.355 1.00 0.00 C ATOM 1252 C GLY A 437 2.017 -24.030 -20.677 1.00 0.00 C ATOM 1253 O GLY A 437 2.139 -23.002 -21.344 1.00 0.00 O ATOM 0 H GLY A 437 2.011 -27.138 -20.231 1.00 0.00 H new ATOM 0 HA2 GLY A 437 2.200 -25.304 -22.387 1.00 0.00 H new ATOM 0 HA3 GLY A 437 0.800 -25.640 -21.389 1.00 0.00 H new ATOM 1257 N HIS A 438 2.013 -24.034 -19.348 1.00 0.00 N ATOM 1258 CA HIS A 438 2.158 -22.803 -18.579 1.00 0.00 C ATOM 1259 C HIS A 438 3.383 -22.017 -19.038 1.00 0.00 C ATOM 1260 O HIS A 438 3.338 -20.792 -19.152 1.00 0.00 O ATOM 1261 CB HIS A 438 2.269 -23.118 -17.087 1.00 0.00 C ATOM 1262 CG HIS A 438 2.705 -21.949 -16.259 1.00 0.00 C ATOM 1263 ND1 HIS A 438 1.829 -21.176 -15.527 1.00 0.00 N ATOM 1264 CD2 HIS A 438 3.935 -21.423 -16.048 1.00 0.00 C ATOM 1265 CE1 HIS A 438 2.500 -20.224 -14.903 1.00 0.00 C ATOM 1266 NE2 HIS A 438 3.780 -20.353 -15.202 1.00 0.00 N ATOM 0 H HIS A 438 1.911 -24.876 -18.781 1.00 0.00 H new ATOM 0 HA HIS A 438 1.271 -22.192 -18.748 1.00 0.00 H new ATOM 0 HB2 HIS A 438 1.302 -23.469 -16.725 1.00 0.00 H new ATOM 0 HB3 HIS A 438 2.977 -23.935 -16.948 1.00 0.00 H new ATOM 0 HD1 HIS A 438 0.820 -21.317 -15.475 1.00 0.00 H new ATOM 0 HD2 HIS A 438 4.865 -21.779 -16.467 1.00 0.00 H new ATOM 0 HE1 HIS A 438 2.074 -19.469 -14.258 1.00 0.00 H new ATOM 1274 N ILE A 439 4.473 -22.729 -19.298 1.00 0.00 N ATOM 1275 CA ILE A 439 5.709 -22.098 -19.744 1.00 0.00 C ATOM 1276 C ILE A 439 5.469 -21.223 -20.969 1.00 0.00 C ATOM 1277 O ILE A 439 5.996 -20.114 -21.067 1.00 0.00 O ATOM 1278 CB ILE A 439 6.787 -23.146 -20.079 1.00 0.00 C ATOM 1279 CG1 ILE A 439 7.097 -24.003 -18.849 1.00 0.00 C ATOM 1280 CG2 ILE A 439 8.049 -22.463 -20.586 1.00 0.00 C ATOM 1281 CD1 ILE A 439 7.295 -25.468 -19.169 1.00 0.00 C ATOM 0 H ILE A 439 4.526 -23.744 -19.208 1.00 0.00 H new ATOM 0 HA ILE A 439 6.061 -21.477 -18.920 1.00 0.00 H new ATOM 0 HB ILE A 439 6.407 -23.797 -20.866 1.00 0.00 H new ATOM 0 HG12 ILE A 439 7.996 -23.620 -18.366 1.00 0.00 H new ATOM 0 HG13 ILE A 439 6.283 -23.903 -18.131 1.00 0.00 H new ATOM 0 HG21 ILE A 439 8.802 -23.216 -20.819 1.00 0.00 H new ATOM 0 HG22 ILE A 439 7.817 -21.892 -21.485 1.00 0.00 H new ATOM 0 HG23 ILE A 439 8.433 -21.791 -19.818 1.00 0.00 H new ATOM 0 HD11 ILE A 439 7.511 -26.015 -18.251 1.00 0.00 H new ATOM 0 HD12 ILE A 439 6.388 -25.867 -19.624 1.00 0.00 H new ATOM 0 HD13 ILE A 439 8.128 -25.580 -19.863 1.00 0.00 H new ATOM 1293 N LYS A 440 4.668 -21.727 -21.901 1.00 0.00 N ATOM 1294 CA LYS A 440 4.353 -20.991 -23.120 1.00 0.00 C ATOM 1295 C LYS A 440 3.114 -20.122 -22.926 1.00 0.00 C ATOM 1296 O LYS A 440 2.783 -19.300 -23.779 1.00 0.00 O ATOM 1297 CB LYS A 440 4.132 -21.960 -24.283 1.00 0.00 C ATOM 1298 CG LYS A 440 5.396 -22.266 -25.068 1.00 0.00 C ATOM 1299 CD LYS A 440 6.201 -23.379 -24.418 1.00 0.00 C ATOM 1300 CE LYS A 440 6.224 -24.629 -25.284 1.00 0.00 C ATOM 1301 NZ LYS A 440 6.621 -25.836 -24.506 1.00 0.00 N ATOM 0 H LYS A 440 4.224 -22.643 -21.836 1.00 0.00 H new ATOM 0 HA LYS A 440 5.198 -20.342 -23.351 1.00 0.00 H new ATOM 0 HB2 LYS A 440 3.720 -22.892 -23.895 1.00 0.00 H new ATOM 0 HB3 LYS A 440 3.387 -21.540 -24.959 1.00 0.00 H new ATOM 0 HG2 LYS A 440 5.133 -22.553 -26.086 1.00 0.00 H new ATOM 0 HG3 LYS A 440 6.008 -21.367 -25.139 1.00 0.00 H new ATOM 0 HD2 LYS A 440 7.221 -23.037 -24.243 1.00 0.00 H new ATOM 0 HD3 LYS A 440 5.774 -23.618 -23.444 1.00 0.00 H new ATOM 0 HE2 LYS A 440 5.238 -24.787 -25.721 1.00 0.00 H new ATOM 0 HE3 LYS A 440 6.919 -24.485 -26.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 6.625 -26.667 -25.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 7.573 -25.696 -24.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 5.943 -25.989 -23.732 1.00 0.00 H new ATOM 1315 N GLN A 441 2.435 -20.310 -21.799 1.00 0.00 N ATOM 1316 CA GLN A 441 1.234 -19.543 -21.494 1.00 0.00 C ATOM 1317 C GLN A 441 1.588 -18.118 -21.082 1.00 0.00 C ATOM 1318 O GLN A 441 0.948 -17.158 -21.512 1.00 0.00 O ATOM 1319 CB GLN A 441 0.435 -20.225 -20.382 1.00 0.00 C ATOM 1320 CG GLN A 441 -1.029 -19.817 -20.346 1.00 0.00 C ATOM 1321 CD GLN A 441 -1.456 -19.296 -18.988 1.00 0.00 C ATOM 1322 OE1 GLN A 441 -1.762 -20.071 -18.081 1.00 0.00 O ATOM 1323 NE2 GLN A 441 -1.479 -17.977 -18.839 1.00 0.00 N ATOM 0 H GLN A 441 2.697 -20.987 -21.082 1.00 0.00 H new ATOM 0 HA GLN A 441 0.623 -19.500 -22.396 1.00 0.00 H new ATOM 0 HB2 GLN A 441 0.499 -21.306 -20.510 1.00 0.00 H new ATOM 0 HB3 GLN A 441 0.893 -19.990 -19.421 1.00 0.00 H new ATOM 0 HG2 GLN A 441 -1.207 -19.048 -21.098 1.00 0.00 H new ATOM 0 HG3 GLN A 441 -1.648 -20.674 -20.613 1.00 0.00 H new ATOM 0 HE21 GLN A 441 -1.218 -17.371 -19.617 1.00 0.00 H new ATOM 0 HE22 GLN A 441 -1.758 -17.569 -17.947 1.00 0.00 H new ATOM 1332 N VAL A 442 2.612 -17.987 -20.244 1.00 0.00 N ATOM 1333 CA VAL A 442 3.052 -16.679 -19.773 1.00 0.00 C ATOM 1334 C VAL A 442 4.508 -16.423 -20.145 1.00 0.00 C ATOM 1335 O VAL A 442 4.842 -15.380 -20.708 1.00 0.00 O ATOM 1336 CB VAL A 442 2.893 -16.549 -18.247 1.00 0.00 C ATOM 1337 CG1 VAL A 442 3.324 -15.167 -17.781 1.00 0.00 C ATOM 1338 CG2 VAL A 442 1.457 -16.836 -17.835 1.00 0.00 C ATOM 0 H VAL A 442 3.152 -18.771 -19.878 1.00 0.00 H new ATOM 0 HA VAL A 442 2.419 -15.938 -20.261 1.00 0.00 H new ATOM 0 HB VAL A 442 3.538 -17.285 -17.768 1.00 0.00 H new ATOM 0 HG11 VAL A 442 3.205 -15.094 -16.700 1.00 0.00 H new ATOM 0 HG12 VAL A 442 4.370 -15.005 -18.042 1.00 0.00 H new ATOM 0 HG13 VAL A 442 2.707 -14.411 -18.266 1.00 0.00 H new ATOM 0 HG21 VAL A 442 1.363 -16.740 -16.753 1.00 0.00 H new ATOM 0 HG22 VAL A 442 0.790 -16.125 -18.322 1.00 0.00 H new ATOM 0 HG23 VAL A 442 1.188 -17.849 -18.134 1.00 0.00 H new ATOM 1348 N HIS A 443 5.372 -17.382 -19.827 1.00 0.00 N ATOM 1349 CA HIS A 443 6.794 -17.261 -20.129 1.00 0.00 C ATOM 1350 C HIS A 443 7.068 -17.583 -21.594 1.00 0.00 C ATOM 1351 O HIS A 443 7.837 -18.492 -21.907 1.00 0.00 O ATOM 1352 CB HIS A 443 7.609 -18.190 -19.229 1.00 0.00 C ATOM 1353 CG HIS A 443 7.211 -18.128 -17.786 1.00 0.00 C ATOM 1354 ND1 HIS A 443 7.302 -16.979 -17.029 1.00 0.00 N ATOM 1355 CD2 HIS A 443 6.716 -19.081 -16.962 1.00 0.00 C ATOM 1356 CE1 HIS A 443 6.882 -17.228 -15.802 1.00 0.00 C ATOM 1357 NE2 HIS A 443 6.520 -18.497 -15.735 1.00 0.00 N ATOM 0 H HIS A 443 5.112 -18.251 -19.360 1.00 0.00 H new ATOM 0 HA HIS A 443 7.094 -16.230 -19.940 1.00 0.00 H new ATOM 0 HB2 HIS A 443 7.499 -19.215 -19.584 1.00 0.00 H new ATOM 0 HB3 HIS A 443 8.665 -17.934 -19.317 1.00 0.00 H new ATOM 0 HD1 HIS A 443 7.641 -16.077 -17.364 1.00 0.00 H new ATOM 0 HD2 HIS A 443 6.513 -20.110 -17.221 1.00 0.00 H new ATOM 0 HE1 HIS A 443 6.841 -16.516 -14.991 1.00 0.00 H new