USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=22 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 -145:sc= -0.0981 USER MOD Set 1.2: A 425 CYS SG : rot -118:sc= 0.367 USER MOD Set 1.3: A 438 HIS : no HE2:sc= -0.966 K(o=-2.4,f=-3) USER MOD Set 1.4: A 443 HIS : no HE2:sc= -1.7 K(o=-2.4,f=-2.9) USER MOD Set 2.1: A 392 CYS SG : rot -152:sc= -0.401 USER MOD Set 2.2: A 395 CYS SG : rot 136:sc= 0.639 USER MOD Set 2.3: A 408 HIS : no HE2:sc= 0.0213 K(o=-0.22,f=-3.4) USER MOD Set 2.4: A 412 HIS : no HD1:sc= -0.474 K(o=-0.22,f=-8.4!) USER MOD Set 3.1: A 364 CYS SG : rot 80:sc= -1.04 USER MOD Set 3.2: A 367 CYS SG : rot -43:sc= 0.579 USER MOD Set 3.3: A 380 HIS : no HD1:sc= 0.0134 K(o=-0.45,f=-1.4) 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 HE2:sc= 0.499 K(o=0.5,f=-1.9!) USER MOD Single : A 378 ASN : amide:sc= -0.0218 X(o=-0.022,f=-0.2) USER MOD Single : A 381 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0472) 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 87:sc= 1.11 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 -140:sc= -1.42 (180deg=-2.2) 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 X(o=0,f=0) USER MOD Single : A 424 SER OG : rot 180:sc= 0 USER MOD Single : A 427 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0778) USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 434 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.027) USER MOD Single : A 436 ASN : amide:sc= -0.0845 X(o=-0.085,f=0) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 GLN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 362 -12.486 -21.941 -19.252 1.00 0.00 N ATOM 67 CA VAL A 362 -11.356 -21.294 -18.596 1.00 0.00 C ATOM 68 C VAL A 362 -11.825 -20.376 -17.472 1.00 0.00 C ATOM 69 O VAL A 362 -13.008 -20.051 -17.375 1.00 0.00 O ATOM 70 CB VAL A 362 -10.519 -20.475 -19.597 1.00 0.00 C ATOM 71 CG1 VAL A 362 -9.920 -21.383 -20.659 1.00 0.00 C ATOM 72 CG2 VAL A 362 -11.368 -19.384 -20.232 1.00 0.00 C ATOM 0 HA VAL A 362 -10.736 -22.087 -18.179 1.00 0.00 H new ATOM 0 HB VAL A 362 -9.700 -19.999 -19.057 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -9.332 -20.787 -21.357 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -9.277 -22.124 -20.184 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -10.720 -21.889 -21.198 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -10.762 -18.815 -20.936 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -12.208 -19.837 -20.759 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -11.744 -18.717 -19.456 1.00 0.00 H new ATOM 82 N ALA A 363 -10.889 -19.961 -16.625 1.00 0.00 N ATOM 83 CA ALA A 363 -11.206 -19.079 -15.509 1.00 0.00 C ATOM 84 C ALA A 363 -10.190 -17.948 -15.397 1.00 0.00 C ATOM 85 O ALA A 363 -8.999 -18.187 -15.191 1.00 0.00 O ATOM 86 CB ALA A 363 -11.263 -19.870 -14.210 1.00 0.00 C ATOM 0 H ALA A 363 -9.905 -20.222 -16.691 1.00 0.00 H new ATOM 0 HA ALA A 363 -12.184 -18.636 -15.695 1.00 0.00 H new ATOM 0 HB1 ALA A 363 -11.501 -19.198 -13.385 1.00 0.00 H new ATOM 0 HB2 ALA A 363 -12.032 -20.638 -14.285 1.00 0.00 H new ATOM 0 HB3 ALA A 363 -10.297 -20.341 -14.028 1.00 0.00 H new ATOM 92 N CYS A 364 -10.666 -16.715 -15.535 1.00 0.00 N ATOM 93 CA CYS A 364 -9.799 -15.546 -15.452 1.00 0.00 C ATOM 94 C CYS A 364 -8.997 -15.555 -14.153 1.00 0.00 C ATOM 95 O CYS A 364 -9.535 -15.834 -13.083 1.00 0.00 O ATOM 96 CB CYS A 364 -10.627 -14.263 -15.543 1.00 0.00 C ATOM 97 SG CYS A 364 -9.651 -12.773 -15.926 1.00 0.00 S ATOM 0 H CYS A 364 -11.648 -16.500 -15.705 1.00 0.00 H new ATOM 0 HA CYS A 364 -9.102 -15.581 -16.290 1.00 0.00 H new ATOM 0 HB2 CYS A 364 -11.391 -14.390 -16.309 1.00 0.00 H new ATOM 0 HB3 CYS A 364 -11.146 -14.111 -14.597 1.00 0.00 H new ATOM 0 HG CYS A 364 -9.408 -12.729 -17.202 1.00 0.00 H new ATOM 102 N GLU A 365 -7.708 -15.248 -14.258 1.00 0.00 N ATOM 103 CA GLU A 365 -6.832 -15.222 -13.093 1.00 0.00 C ATOM 104 C GLU A 365 -6.673 -13.800 -12.564 1.00 0.00 C ATOM 105 O GLU A 365 -5.637 -13.449 -11.997 1.00 0.00 O ATOM 106 CB GLU A 365 -5.461 -15.804 -13.444 1.00 0.00 C ATOM 107 CG GLU A 365 -4.685 -14.970 -14.450 1.00 0.00 C ATOM 108 CD GLU A 365 -3.382 -15.623 -14.867 1.00 0.00 C ATOM 109 OE1 GLU A 365 -3.420 -16.784 -15.324 1.00 0.00 O ATOM 110 OE2 GLU A 365 -2.324 -14.972 -14.736 1.00 0.00 O ATOM 0 H GLU A 365 -7.248 -15.014 -15.138 1.00 0.00 H new ATOM 0 HA GLU A 365 -7.288 -15.832 -12.314 1.00 0.00 H new ATOM 0 HB2 GLU A 365 -4.872 -15.899 -12.532 1.00 0.00 H new ATOM 0 HB3 GLU A 365 -5.594 -16.809 -13.844 1.00 0.00 H new ATOM 0 HG2 GLU A 365 -5.303 -14.804 -15.333 1.00 0.00 H new ATOM 0 HG3 GLU A 365 -4.475 -13.991 -14.020 1.00 0.00 H new ATOM 117 N ILE A 366 -7.705 -12.985 -12.753 1.00 0.00 N ATOM 118 CA ILE A 366 -7.680 -11.602 -12.295 1.00 0.00 C ATOM 119 C ILE A 366 -8.953 -11.253 -11.531 1.00 0.00 C ATOM 120 O ILE A 366 -8.903 -10.607 -10.483 1.00 0.00 O ATOM 121 CB ILE A 366 -7.517 -10.622 -13.472 1.00 0.00 C ATOM 122 CG1 ILE A 366 -6.249 -10.947 -14.263 1.00 0.00 C ATOM 123 CG2 ILE A 366 -7.479 -9.188 -12.966 1.00 0.00 C ATOM 124 CD1 ILE A 366 -6.520 -11.389 -15.685 1.00 0.00 C ATOM 0 H ILE A 366 -8.569 -13.259 -13.220 1.00 0.00 H new ATOM 0 HA ILE A 366 -6.822 -11.505 -11.630 1.00 0.00 H new ATOM 0 HB ILE A 366 -8.374 -10.730 -14.136 1.00 0.00 H new ATOM 0 HG12 ILE A 366 -5.606 -10.067 -14.281 1.00 0.00 H new ATOM 0 HG13 ILE A 366 -5.699 -11.733 -13.745 1.00 0.00 H new ATOM 0 HG21 ILE A 366 -7.363 -8.507 -13.810 1.00 0.00 H new ATOM 0 HG22 ILE A 366 -8.408 -8.962 -12.442 1.00 0.00 H new ATOM 0 HG23 ILE A 366 -6.638 -9.065 -12.283 1.00 0.00 H new ATOM 0 HD11 ILE A 366 -5.576 -11.603 -16.186 1.00 0.00 H new ATOM 0 HD12 ILE A 366 -7.137 -12.287 -15.675 1.00 0.00 H new ATOM 0 HD13 ILE A 366 -7.043 -10.596 -16.219 1.00 0.00 H new ATOM 136 N CYS A 367 -10.092 -11.685 -12.060 1.00 0.00 N ATOM 137 CA CYS A 367 -11.379 -11.421 -11.428 1.00 0.00 C ATOM 138 C CYS A 367 -12.071 -12.724 -11.037 1.00 0.00 C ATOM 139 O CYS A 367 -12.747 -12.797 -10.012 1.00 0.00 O ATOM 140 CB CYS A 367 -12.277 -10.615 -12.369 1.00 0.00 C ATOM 141 SG CYS A 367 -12.427 -11.323 -14.041 1.00 0.00 S ATOM 0 H CYS A 367 -10.150 -12.220 -12.926 1.00 0.00 H new ATOM 0 HA CYS A 367 -11.199 -10.841 -10.523 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -13.271 -10.538 -11.928 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -11.884 -9.601 -12.449 1.00 0.00 H new ATOM 0 HG CYS A 367 -11.258 -11.715 -14.453 1.00 0.00 H new ATOM 146 N GLY A 368 -11.896 -13.751 -11.864 1.00 0.00 N ATOM 147 CA GLY A 368 -12.510 -15.037 -11.588 1.00 0.00 C ATOM 148 C GLY A 368 -13.708 -15.309 -12.475 1.00 0.00 C ATOM 149 O GLY A 368 -14.620 -16.043 -12.092 1.00 0.00 O ATOM 0 H GLY A 368 -11.341 -13.715 -12.719 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -11.771 -15.826 -11.728 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -12.820 -15.072 -10.543 1.00 0.00 H new ATOM 153 N LYS A 369 -13.710 -14.716 -13.664 1.00 0.00 N ATOM 154 CA LYS A 369 -14.805 -14.897 -14.609 1.00 0.00 C ATOM 155 C LYS A 369 -14.553 -16.102 -15.509 1.00 0.00 C ATOM 156 O LYS A 369 -13.432 -16.321 -15.969 1.00 0.00 O ATOM 157 CB LYS A 369 -14.984 -13.639 -15.461 1.00 0.00 C ATOM 158 CG LYS A 369 -15.803 -12.555 -14.781 1.00 0.00 C ATOM 159 CD LYS A 369 -15.823 -11.275 -15.600 1.00 0.00 C ATOM 160 CE LYS A 369 -17.062 -11.194 -16.478 1.00 0.00 C ATOM 161 NZ LYS A 369 -17.029 -10.008 -17.377 1.00 0.00 N ATOM 0 H LYS A 369 -12.964 -14.105 -13.996 1.00 0.00 H new ATOM 0 HA LYS A 369 -15.717 -15.075 -14.040 1.00 0.00 H new ATOM 0 HB2 LYS A 369 -14.002 -13.237 -15.712 1.00 0.00 H new ATOM 0 HB3 LYS A 369 -15.466 -13.912 -16.400 1.00 0.00 H new ATOM 0 HG2 LYS A 369 -16.823 -12.908 -14.631 1.00 0.00 H new ATOM 0 HG3 LYS A 369 -15.389 -12.350 -13.794 1.00 0.00 H new ATOM 0 HD2 LYS A 369 -15.792 -10.414 -14.932 1.00 0.00 H new ATOM 0 HD3 LYS A 369 -14.930 -11.227 -16.224 1.00 0.00 H new ATOM 0 HE2 LYS A 369 -17.142 -12.101 -17.077 1.00 0.00 H new ATOM 0 HE3 LYS A 369 -17.951 -11.148 -15.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 -17.891 -9.989 -17.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 -16.978 -9.141 -16.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 -16.195 -10.065 -17.996 1.00 0.00 H new ATOM 175 N ILE A 370 -15.602 -16.879 -15.758 1.00 0.00 N ATOM 176 CA ILE A 370 -15.494 -18.060 -16.605 1.00 0.00 C ATOM 177 C ILE A 370 -15.881 -17.740 -18.045 1.00 0.00 C ATOM 178 O ILE A 370 -16.787 -16.945 -18.294 1.00 0.00 O ATOM 179 CB ILE A 370 -16.383 -19.207 -16.089 1.00 0.00 C ATOM 180 CG1 ILE A 370 -16.027 -19.546 -14.640 1.00 0.00 C ATOM 181 CG2 ILE A 370 -16.235 -20.433 -16.977 1.00 0.00 C ATOM 182 CD1 ILE A 370 -14.610 -20.048 -14.469 1.00 0.00 C ATOM 0 H ILE A 370 -16.536 -16.712 -15.385 1.00 0.00 H new ATOM 0 HA ILE A 370 -14.452 -18.377 -16.573 1.00 0.00 H new ATOM 0 HB ILE A 370 -17.423 -18.883 -16.121 1.00 0.00 H new ATOM 0 HG12 ILE A 370 -16.167 -18.659 -14.023 1.00 0.00 H new ATOM 0 HG13 ILE A 370 -16.719 -20.303 -14.272 1.00 0.00 H new ATOM 0 HG21 ILE A 370 -16.869 -21.235 -16.599 1.00 0.00 H new ATOM 0 HG22 ILE A 370 -16.534 -20.183 -17.995 1.00 0.00 H new ATOM 0 HG23 ILE A 370 -15.196 -20.761 -16.974 1.00 0.00 H new ATOM 0 HD11 ILE A 370 -14.427 -20.269 -13.417 1.00 0.00 H new ATOM 0 HD12 ILE A 370 -14.471 -20.954 -15.060 1.00 0.00 H new ATOM 0 HD13 ILE A 370 -13.910 -19.284 -14.807 1.00 0.00 H new ATOM 194 N PHE A 371 -15.189 -18.367 -18.991 1.00 0.00 N ATOM 195 CA PHE A 371 -15.460 -18.150 -20.407 1.00 0.00 C ATOM 196 C PHE A 371 -15.643 -19.479 -21.135 1.00 0.00 C ATOM 197 O PHE A 371 -14.845 -20.403 -20.973 1.00 0.00 O ATOM 198 CB PHE A 371 -14.322 -17.356 -21.050 1.00 0.00 C ATOM 199 CG PHE A 371 -14.146 -15.982 -20.469 1.00 0.00 C ATOM 200 CD1 PHE A 371 -13.539 -15.810 -19.236 1.00 0.00 C ATOM 201 CD2 PHE A 371 -14.590 -14.863 -21.156 1.00 0.00 C ATOM 202 CE1 PHE A 371 -13.376 -14.547 -18.698 1.00 0.00 C ATOM 203 CE2 PHE A 371 -14.429 -13.598 -20.623 1.00 0.00 C ATOM 204 CZ PHE A 371 -13.822 -13.440 -19.393 1.00 0.00 C ATOM 0 H PHE A 371 -14.437 -19.029 -18.802 1.00 0.00 H new ATOM 0 HA PHE A 371 -16.385 -17.579 -20.491 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -13.392 -17.912 -20.935 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -14.511 -17.268 -22.120 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -13.189 -16.673 -18.688 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -15.067 -14.981 -22.118 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -12.901 -14.426 -17.736 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -14.778 -12.734 -21.168 1.00 0.00 H new ATOM 0 HZ PHE A 371 -13.696 -12.452 -18.975 1.00 0.00 H new ATOM 214 N ARG A 372 -16.699 -19.567 -21.937 1.00 0.00 N ATOM 215 CA ARG A 372 -16.989 -20.782 -22.689 1.00 0.00 C ATOM 216 C ARG A 372 -15.827 -21.141 -23.610 1.00 0.00 C ATOM 217 O ARG A 372 -15.608 -22.312 -23.923 1.00 0.00 O ATOM 218 CB ARG A 372 -18.268 -20.607 -23.509 1.00 0.00 C ATOM 219 CG ARG A 372 -18.257 -19.376 -24.400 1.00 0.00 C ATOM 220 CD ARG A 372 -19.295 -19.481 -25.507 1.00 0.00 C ATOM 221 NE ARG A 372 -19.706 -18.168 -25.998 1.00 0.00 N ATOM 222 CZ ARG A 372 -20.444 -17.318 -25.293 1.00 0.00 C ATOM 223 NH1 ARG A 372 -20.850 -17.642 -24.072 1.00 0.00 N ATOM 224 NH2 ARG A 372 -20.778 -16.142 -25.808 1.00 0.00 N ATOM 0 H ARG A 372 -17.368 -18.811 -22.083 1.00 0.00 H new ATOM 0 HA ARG A 372 -17.131 -21.595 -21.977 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -18.416 -21.492 -24.128 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -19.119 -20.546 -22.831 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -18.453 -18.488 -23.799 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -17.267 -19.252 -24.839 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -18.887 -20.065 -26.332 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -20.168 -20.019 -25.136 1.00 0.00 H new ATOM 0 HE ARG A 372 -19.410 -17.889 -26.933 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -20.595 -18.545 -23.673 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -21.417 -16.988 -23.533 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -20.468 -15.890 -26.746 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -21.345 -15.490 -25.266 1.00 0.00 H new ATOM 238 N ASP A 373 -15.085 -20.127 -24.042 1.00 0.00 N ATOM 239 CA ASP A 373 -13.945 -20.335 -24.927 1.00 0.00 C ATOM 240 C ASP A 373 -12.757 -19.483 -24.492 1.00 0.00 C ATOM 241 O ASP A 373 -12.824 -18.769 -23.492 1.00 0.00 O ATOM 242 CB ASP A 373 -14.326 -20.003 -26.370 1.00 0.00 C ATOM 243 CG ASP A 373 -15.117 -21.114 -27.031 1.00 0.00 C ATOM 244 OD1 ASP A 373 -14.539 -22.197 -27.262 1.00 0.00 O ATOM 245 OD2 ASP A 373 -16.314 -20.901 -27.319 1.00 0.00 O ATOM 0 H ASP A 373 -15.253 -19.152 -23.793 1.00 0.00 H new ATOM 0 HA ASP A 373 -13.657 -21.385 -24.868 1.00 0.00 H new ATOM 0 HB2 ASP A 373 -14.913 -19.085 -26.385 1.00 0.00 H new ATOM 0 HB3 ASP A 373 -13.421 -19.813 -26.947 1.00 0.00 H new ATOM 250 N VAL A 374 -11.668 -19.564 -25.250 1.00 0.00 N ATOM 251 CA VAL A 374 -10.464 -18.801 -24.944 1.00 0.00 C ATOM 252 C VAL A 374 -10.488 -17.438 -25.627 1.00 0.00 C ATOM 253 O VAL A 374 -9.975 -16.455 -25.094 1.00 0.00 O ATOM 254 CB VAL A 374 -9.194 -19.558 -25.376 1.00 0.00 C ATOM 255 CG1 VAL A 374 -9.069 -20.869 -24.615 1.00 0.00 C ATOM 256 CG2 VAL A 374 -9.206 -19.802 -26.878 1.00 0.00 C ATOM 0 H VAL A 374 -11.595 -20.151 -26.081 1.00 0.00 H new ATOM 0 HA VAL A 374 -10.444 -18.662 -23.863 1.00 0.00 H new ATOM 0 HB VAL A 374 -8.326 -18.944 -25.137 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -8.166 -21.390 -24.933 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -9.012 -20.665 -23.546 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -9.939 -21.493 -24.820 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.302 -20.338 -27.167 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -10.080 -20.396 -27.143 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -9.244 -18.847 -27.402 1.00 0.00 H new ATOM 266 N TYR A 375 -11.089 -17.388 -26.811 1.00 0.00 N ATOM 267 CA TYR A 375 -11.179 -16.146 -27.570 1.00 0.00 C ATOM 268 C TYR A 375 -11.878 -15.060 -26.757 1.00 0.00 C ATOM 269 O TYR A 375 -11.366 -13.950 -26.613 1.00 0.00 O ATOM 270 CB TYR A 375 -11.929 -16.379 -28.882 1.00 0.00 C ATOM 271 CG TYR A 375 -11.051 -16.899 -29.998 1.00 0.00 C ATOM 272 CD1 TYR A 375 -10.520 -18.182 -29.949 1.00 0.00 C ATOM 273 CD2 TYR A 375 -10.752 -16.108 -31.100 1.00 0.00 C ATOM 274 CE1 TYR A 375 -9.717 -18.662 -30.965 1.00 0.00 C ATOM 275 CE2 TYR A 375 -9.951 -16.580 -32.122 1.00 0.00 C ATOM 276 CZ TYR A 375 -9.436 -17.858 -32.050 1.00 0.00 C ATOM 277 OH TYR A 375 -8.636 -18.331 -33.065 1.00 0.00 O ATOM 0 H TYR A 375 -11.521 -18.193 -27.266 1.00 0.00 H new ATOM 0 HA TYR A 375 -10.166 -15.812 -27.793 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -12.738 -17.088 -28.707 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -12.389 -15.443 -29.199 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -10.739 -18.815 -29.102 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -11.153 -15.107 -31.159 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -9.311 -19.661 -30.910 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -9.729 -15.952 -32.972 1.00 0.00 H new ATOM 0 HH TYR A 375 -8.538 -17.640 -33.753 1.00 0.00 H new ATOM 287 N HIS A 376 -13.051 -15.390 -26.227 1.00 0.00 N ATOM 288 CA HIS A 376 -13.822 -14.444 -25.427 1.00 0.00 C ATOM 289 C HIS A 376 -13.006 -13.949 -24.237 1.00 0.00 C ATOM 290 O HIS A 376 -13.229 -12.847 -23.733 1.00 0.00 O ATOM 291 CB HIS A 376 -15.116 -15.094 -24.937 1.00 0.00 C ATOM 292 CG HIS A 376 -16.212 -14.112 -24.662 1.00 0.00 C ATOM 293 ND1 HIS A 376 -15.979 -12.778 -24.400 1.00 0.00 N ATOM 294 CD2 HIS A 376 -17.555 -14.275 -24.609 1.00 0.00 C ATOM 295 CE1 HIS A 376 -17.131 -12.164 -24.197 1.00 0.00 C ATOM 296 NE2 HIS A 376 -18.103 -13.050 -24.319 1.00 0.00 N ATOM 0 H HIS A 376 -13.489 -16.305 -26.337 1.00 0.00 H new ATOM 0 HA HIS A 376 -14.069 -13.590 -26.057 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -15.459 -15.809 -25.684 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -14.908 -15.658 -24.028 1.00 0.00 H new ATOM 0 HD1 HIS A 376 -15.061 -12.335 -24.368 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -18.095 -15.197 -24.766 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -17.257 -11.116 -23.970 1.00 0.00 H new ATOM 304 N LEU A 377 -12.061 -14.769 -23.791 1.00 0.00 N ATOM 305 CA LEU A 377 -11.211 -14.414 -22.659 1.00 0.00 C ATOM 306 C LEU A 377 -10.027 -13.566 -23.111 1.00 0.00 C ATOM 307 O LEU A 377 -9.483 -12.780 -22.338 1.00 0.00 O ATOM 308 CB LEU A 377 -10.710 -15.678 -21.957 1.00 0.00 C ATOM 309 CG LEU A 377 -9.675 -15.465 -20.851 1.00 0.00 C ATOM 310 CD1 LEU A 377 -10.327 -14.857 -19.619 1.00 0.00 C ATOM 311 CD2 LEU A 377 -8.991 -16.779 -20.502 1.00 0.00 C ATOM 0 H LEU A 377 -11.864 -15.684 -24.196 1.00 0.00 H new ATOM 0 HA LEU A 377 -11.806 -13.828 -21.959 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -11.568 -16.197 -21.529 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -10.279 -16.340 -22.708 1.00 0.00 H new ATOM 0 HG LEU A 377 -8.919 -14.770 -21.216 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -9.575 -14.713 -18.843 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -10.769 -13.895 -19.879 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -11.104 -15.526 -19.251 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -8.258 -16.609 -19.714 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -9.736 -17.496 -20.157 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -8.489 -17.174 -21.385 1.00 0.00 H new ATOM 323 N ASN A 378 -9.635 -13.731 -24.371 1.00 0.00 N ATOM 324 CA ASN A 378 -8.516 -12.979 -24.927 1.00 0.00 C ATOM 325 C ASN A 378 -8.841 -11.490 -24.993 1.00 0.00 C ATOM 326 O ASN A 378 -7.984 -10.645 -24.733 1.00 0.00 O ATOM 327 CB ASN A 378 -8.169 -13.499 -26.323 1.00 0.00 C ATOM 328 CG ASN A 378 -6.796 -14.141 -26.377 1.00 0.00 C ATOM 329 OD1 ASN A 378 -6.407 -14.878 -25.471 1.00 0.00 O ATOM 330 ND2 ASN A 378 -6.054 -13.862 -27.442 1.00 0.00 N ATOM 0 H ASN A 378 -10.075 -14.378 -25.025 1.00 0.00 H new ATOM 0 HA ASN A 378 -7.656 -13.116 -24.271 1.00 0.00 H new ATOM 0 HB2 ASN A 378 -8.919 -14.226 -26.634 1.00 0.00 H new ATOM 0 HB3 ASN A 378 -8.210 -12.675 -27.035 1.00 0.00 H new ATOM 0 HD21 ASN A 378 -5.121 -14.264 -27.533 1.00 0.00 H new ATOM 0 HD22 ASN A 378 -6.417 -13.246 -28.169 1.00 0.00 H new ATOM 337 N ARG A 379 -10.084 -11.176 -25.343 1.00 0.00 N ATOM 338 CA ARG A 379 -10.522 -9.789 -25.444 1.00 0.00 C ATOM 339 C ARG A 379 -10.765 -9.193 -24.060 1.00 0.00 C ATOM 340 O ARG A 379 -10.668 -7.980 -23.869 1.00 0.00 O ATOM 341 CB ARG A 379 -11.798 -9.694 -26.283 1.00 0.00 C ATOM 342 CG ARG A 379 -13.039 -10.193 -25.561 1.00 0.00 C ATOM 343 CD ARG A 379 -13.860 -9.040 -25.004 1.00 0.00 C ATOM 344 NE ARG A 379 -14.190 -9.234 -23.595 1.00 0.00 N ATOM 345 CZ ARG A 379 -15.150 -8.565 -22.966 1.00 0.00 C ATOM 346 NH1 ARG A 379 -15.870 -7.662 -23.618 1.00 0.00 N ATOM 347 NH2 ARG A 379 -15.391 -8.797 -21.682 1.00 0.00 N ATOM 0 H ARG A 379 -10.805 -11.863 -25.561 1.00 0.00 H new ATOM 0 HA ARG A 379 -9.731 -9.220 -25.932 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -11.952 -8.656 -26.578 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -11.664 -10.270 -27.199 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -13.650 -10.778 -26.248 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -12.746 -10.858 -24.749 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -13.305 -8.110 -25.121 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -14.779 -8.938 -25.581 1.00 0.00 H new ATOM 0 HE ARG A 379 -13.654 -9.921 -23.065 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -15.687 -7.480 -24.605 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -16.607 -7.150 -23.133 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -14.839 -9.490 -21.177 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -16.128 -8.283 -21.200 1.00 0.00 H new ATOM 361 N HIS A 380 -11.080 -10.054 -23.098 1.00 0.00 N ATOM 362 CA HIS A 380 -11.337 -9.613 -21.731 1.00 0.00 C ATOM 363 C HIS A 380 -10.045 -9.172 -21.051 1.00 0.00 C ATOM 364 O HIS A 380 -9.974 -8.087 -20.473 1.00 0.00 O ATOM 365 CB HIS A 380 -11.994 -10.735 -20.926 1.00 0.00 C ATOM 366 CG HIS A 380 -12.124 -10.427 -19.466 1.00 0.00 C ATOM 367 ND1 HIS A 380 -13.150 -9.665 -18.946 1.00 0.00 N ATOM 368 CD2 HIS A 380 -11.352 -10.784 -18.414 1.00 0.00 C ATOM 369 CE1 HIS A 380 -13.001 -9.565 -17.637 1.00 0.00 C ATOM 370 NE2 HIS A 380 -11.918 -10.236 -17.289 1.00 0.00 N ATOM 0 H HIS A 380 -11.164 -11.061 -23.239 1.00 0.00 H new ATOM 0 HA HIS A 380 -12.015 -8.760 -21.771 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -12.984 -10.934 -21.337 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -11.410 -11.647 -21.046 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -10.457 -11.388 -18.452 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -13.654 -9.026 -16.966 1.00 0.00 H new ATOM 0 HE2 HIS A 380 -11.560 -10.332 -16.339 1.00 0.00 H new ATOM 378 N LYS A 381 -9.025 -10.020 -21.123 1.00 0.00 N ATOM 379 CA LYS A 381 -7.734 -9.719 -20.515 1.00 0.00 C ATOM 380 C LYS A 381 -7.215 -8.363 -20.983 1.00 0.00 C ATOM 381 O LYS A 381 -6.492 -7.680 -20.258 1.00 0.00 O ATOM 382 CB LYS A 381 -6.719 -10.812 -20.857 1.00 0.00 C ATOM 383 CG LYS A 381 -7.099 -12.183 -20.327 1.00 0.00 C ATOM 384 CD LYS A 381 -6.353 -13.289 -21.055 1.00 0.00 C ATOM 385 CE LYS A 381 -5.200 -13.826 -20.221 1.00 0.00 C ATOM 386 NZ LYS A 381 -4.209 -12.764 -19.895 1.00 0.00 N ATOM 0 H LYS A 381 -9.067 -10.922 -21.597 1.00 0.00 H new ATOM 0 HA LYS A 381 -7.869 -9.683 -19.434 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -6.609 -10.868 -21.940 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -5.746 -10.532 -20.452 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -6.879 -12.236 -19.261 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -8.173 -12.332 -20.439 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -7.042 -14.100 -21.290 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -5.972 -12.909 -22.003 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -5.589 -14.255 -19.298 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -4.704 -14.631 -20.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -3.383 -13.191 -19.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -3.907 -12.291 -20.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -4.644 -12.067 -19.257 1.00 0.00 H new ATOM 400 N LEU A 382 -7.590 -7.980 -22.198 1.00 0.00 N ATOM 401 CA LEU A 382 -7.163 -6.704 -22.763 1.00 0.00 C ATOM 402 C LEU A 382 -7.951 -5.548 -22.155 1.00 0.00 C ATOM 403 O LEU A 382 -7.429 -4.446 -21.991 1.00 0.00 O ATOM 404 CB LEU A 382 -7.339 -6.712 -24.283 1.00 0.00 C ATOM 405 CG LEU A 382 -6.581 -7.802 -25.040 1.00 0.00 C ATOM 406 CD1 LEU A 382 -7.167 -7.992 -26.431 1.00 0.00 C ATOM 407 CD2 LEU A 382 -5.100 -7.462 -25.125 1.00 0.00 C ATOM 0 H LEU A 382 -8.188 -8.534 -22.811 1.00 0.00 H new ATOM 0 HA LEU A 382 -6.108 -6.565 -22.526 1.00 0.00 H new ATOM 0 HB2 LEU A 382 -8.401 -6.815 -24.505 1.00 0.00 H new ATOM 0 HB3 LEU A 382 -7.025 -5.743 -24.670 1.00 0.00 H new ATOM 0 HG LEU A 382 -6.687 -8.738 -24.492 1.00 0.00 H new ATOM 0 HD11 LEU A 382 -6.615 -8.772 -26.955 1.00 0.00 H new ATOM 0 HD12 LEU A 382 -8.214 -8.282 -26.348 1.00 0.00 H new ATOM 0 HD13 LEU A 382 -7.093 -7.058 -26.988 1.00 0.00 H new ATOM 0 HD21 LEU A 382 -4.576 -8.249 -25.667 1.00 0.00 H new ATOM 0 HD22 LEU A 382 -4.974 -6.515 -25.649 1.00 0.00 H new ATOM 0 HD23 LEU A 382 -4.688 -7.378 -24.119 1.00 0.00 H new ATOM 480 N LYS A 388 -5.242 0.795 -11.288 1.00 0.00 N ATOM 481 CA LYS A 388 -5.708 2.165 -11.462 1.00 0.00 C ATOM 482 C LYS A 388 -7.208 2.267 -11.208 1.00 0.00 C ATOM 483 O LYS A 388 -7.941 1.279 -11.267 1.00 0.00 O ATOM 484 CB LYS A 388 -5.385 2.660 -12.874 1.00 0.00 C ATOM 485 CG LYS A 388 -5.453 1.570 -13.930 1.00 0.00 C ATOM 486 CD LYS A 388 -5.879 2.126 -15.279 1.00 0.00 C ATOM 487 CE LYS A 388 -4.689 2.307 -16.208 1.00 0.00 C ATOM 488 NZ LYS A 388 -4.232 3.724 -16.255 1.00 0.00 N ATOM 0 HA LYS A 388 -5.191 2.792 -10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 388 -6.081 3.456 -13.139 1.00 0.00 H new ATOM 0 HB3 LYS A 388 -4.386 3.096 -12.878 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -4.478 1.092 -14.024 1.00 0.00 H new ATOM 0 HG3 LYS A 388 -6.157 0.800 -13.614 1.00 0.00 H new ATOM 0 HD2 LYS A 388 -6.602 1.453 -15.739 1.00 0.00 H new ATOM 0 HD3 LYS A 388 -6.380 3.083 -15.137 1.00 0.00 H new ATOM 0 HE2 LYS A 388 -3.868 1.672 -15.875 1.00 0.00 H new ATOM 0 HE3 LYS A 388 -4.959 1.979 -17.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 -3.419 3.806 -16.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 -5.007 4.327 -16.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 -3.950 4.030 -15.302 1.00 0.00 H new ATOM 502 N PRO A 389 -7.679 3.489 -10.919 1.00 0.00 N ATOM 503 CA PRO A 389 -6.816 4.673 -10.845 1.00 0.00 C ATOM 504 C PRO A 389 -5.887 4.638 -9.637 1.00 0.00 C ATOM 505 O PRO A 389 -4.701 4.951 -9.745 1.00 0.00 O ATOM 506 CB PRO A 389 -7.811 5.829 -10.721 1.00 0.00 C ATOM 507 CG PRO A 389 -9.029 5.219 -10.118 1.00 0.00 C ATOM 508 CD PRO A 389 -9.089 3.811 -10.641 1.00 0.00 C ATOM 0 HA PRO A 389 -6.156 4.751 -11.709 1.00 0.00 H new ATOM 0 HB2 PRO A 389 -7.415 6.626 -10.092 1.00 0.00 H new ATOM 0 HB3 PRO A 389 -8.029 6.269 -11.694 1.00 0.00 H new ATOM 0 HG2 PRO A 389 -8.972 5.229 -9.030 1.00 0.00 H new ATOM 0 HG3 PRO A 389 -9.923 5.777 -10.396 1.00 0.00 H new ATOM 0 HD2 PRO A 389 -9.520 3.128 -9.909 1.00 0.00 H new ATOM 0 HD3 PRO A 389 -9.702 3.742 -11.540 1.00 0.00 H new ATOM 516 N TYR A 390 -6.431 4.255 -8.488 1.00 0.00 N ATOM 517 CA TYR A 390 -5.651 4.181 -7.259 1.00 0.00 C ATOM 518 C TYR A 390 -5.630 2.757 -6.711 1.00 0.00 C ATOM 519 O TYR A 390 -6.564 2.328 -6.034 1.00 0.00 O ATOM 520 CB TYR A 390 -6.222 5.136 -6.209 1.00 0.00 C ATOM 521 CG TYR A 390 -6.540 6.511 -6.750 1.00 0.00 C ATOM 522 CD1 TYR A 390 -5.550 7.479 -6.867 1.00 0.00 C ATOM 523 CD2 TYR A 390 -7.830 6.842 -7.146 1.00 0.00 C ATOM 524 CE1 TYR A 390 -5.836 8.737 -7.360 1.00 0.00 C ATOM 525 CE2 TYR A 390 -8.125 8.097 -7.642 1.00 0.00 C ATOM 526 CZ TYR A 390 -7.125 9.042 -7.747 1.00 0.00 C ATOM 527 OH TYR A 390 -7.414 10.293 -8.240 1.00 0.00 O ATOM 0 H TYR A 390 -7.410 3.991 -8.382 1.00 0.00 H new ATOM 0 HA TYR A 390 -4.628 4.476 -7.490 1.00 0.00 H new ATOM 0 HB2 TYR A 390 -7.129 4.701 -5.790 1.00 0.00 H new ATOM 0 HB3 TYR A 390 -5.508 5.233 -5.391 1.00 0.00 H new ATOM 0 HD1 TYR A 390 -4.539 7.244 -6.567 1.00 0.00 H new ATOM 0 HD2 TYR A 390 -8.616 6.105 -7.065 1.00 0.00 H new ATOM 0 HE1 TYR A 390 -5.055 9.478 -7.442 1.00 0.00 H new ATOM 0 HE2 TYR A 390 -9.133 8.337 -7.946 1.00 0.00 H new ATOM 0 HH TYR A 390 -8.366 10.343 -8.467 1.00 0.00 H new ATOM 537 N SER A 391 -4.558 2.031 -7.008 1.00 0.00 N ATOM 538 CA SER A 391 -4.416 0.654 -6.549 1.00 0.00 C ATOM 539 C SER A 391 -3.280 0.534 -5.537 1.00 0.00 C ATOM 540 O SER A 391 -2.364 1.357 -5.513 1.00 0.00 O ATOM 541 CB SER A 391 -4.158 -0.277 -7.735 1.00 0.00 C ATOM 542 OG SER A 391 -3.495 -1.459 -7.320 1.00 0.00 O ATOM 0 H SER A 391 -3.775 2.373 -7.565 1.00 0.00 H new ATOM 0 HA SER A 391 -5.346 0.361 -6.062 1.00 0.00 H new ATOM 0 HB2 SER A 391 -5.104 -0.535 -8.212 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.555 0.239 -8.482 1.00 0.00 H new ATOM 0 HG SER A 391 -4.157 -2.121 -7.032 1.00 0.00 H new ATOM 548 N CYS A 392 -3.346 -0.498 -4.703 1.00 0.00 N ATOM 549 CA CYS A 392 -2.325 -0.729 -3.688 1.00 0.00 C ATOM 550 C CYS A 392 -1.119 -1.448 -4.283 1.00 0.00 C ATOM 551 O CYS A 392 -1.244 -2.475 -4.951 1.00 0.00 O ATOM 552 CB CYS A 392 -2.902 -1.548 -2.531 1.00 0.00 C ATOM 553 SG CYS A 392 -1.845 -1.586 -1.048 1.00 0.00 S ATOM 0 H CYS A 392 -4.097 -1.188 -4.710 1.00 0.00 H new ATOM 0 HA CYS A 392 -1.998 0.240 -3.311 1.00 0.00 H new ATOM 0 HB2 CYS A 392 -3.875 -1.139 -2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 392 -3.069 -2.570 -2.871 1.00 0.00 H new ATOM 0 HG CYS A 392 -2.061 -2.685 -0.389 1.00 0.00 H new ATOM 558 N PRO A 393 0.079 -0.898 -4.037 1.00 0.00 N ATOM 559 CA PRO A 393 1.332 -1.470 -4.539 1.00 0.00 C ATOM 560 C PRO A 393 1.685 -2.784 -3.851 1.00 0.00 C ATOM 561 O PRO A 393 2.480 -3.572 -4.364 1.00 0.00 O ATOM 562 CB PRO A 393 2.371 -0.396 -4.207 1.00 0.00 C ATOM 563 CG PRO A 393 1.794 0.344 -3.050 1.00 0.00 C ATOM 564 CD PRO A 393 0.303 0.326 -3.249 1.00 0.00 C ATOM 0 HA PRO A 393 1.274 -1.711 -5.600 1.00 0.00 H new ATOM 0 HB2 PRO A 393 3.333 -0.841 -3.952 1.00 0.00 H new ATOM 0 HB3 PRO A 393 2.541 0.266 -5.056 1.00 0.00 H new ATOM 0 HG2 PRO A 393 2.068 -0.130 -2.108 1.00 0.00 H new ATOM 0 HG3 PRO A 393 2.171 1.366 -3.013 1.00 0.00 H new ATOM 0 HD2 PRO A 393 -0.229 0.295 -2.298 1.00 0.00 H new ATOM 0 HD3 PRO A 393 -0.043 1.214 -3.779 1.00 0.00 H new ATOM 572 N VAL A 394 1.089 -3.016 -2.686 1.00 0.00 N ATOM 573 CA VAL A 394 1.340 -4.236 -1.928 1.00 0.00 C ATOM 574 C VAL A 394 0.311 -5.311 -2.261 1.00 0.00 C ATOM 575 O VAL A 394 0.644 -6.347 -2.838 1.00 0.00 O ATOM 576 CB VAL A 394 1.315 -3.969 -0.411 1.00 0.00 C ATOM 577 CG1 VAL A 394 1.547 -5.259 0.362 1.00 0.00 C ATOM 578 CG2 VAL A 394 2.351 -2.920 -0.037 1.00 0.00 C ATOM 0 H VAL A 394 0.429 -2.375 -2.246 1.00 0.00 H new ATOM 0 HA VAL A 394 2.332 -4.587 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 394 0.331 -3.585 -0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 394 1.526 -5.051 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 394 0.764 -5.976 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 394 2.518 -5.675 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 394 2.319 -2.744 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 394 3.343 -3.273 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 394 2.134 -1.990 -0.563 1.00 0.00 H new ATOM 588 N CYS A 395 -0.941 -5.058 -1.894 1.00 0.00 N ATOM 589 CA CYS A 395 -2.020 -6.004 -2.153 1.00 0.00 C ATOM 590 C CYS A 395 -2.262 -6.155 -3.652 1.00 0.00 C ATOM 591 O CYS A 395 -1.978 -7.200 -4.236 1.00 0.00 O ATOM 592 CB CYS A 395 -3.305 -5.545 -1.461 1.00 0.00 C ATOM 593 SG CYS A 395 -3.087 -5.101 0.292 1.00 0.00 S ATOM 0 H CYS A 395 -1.233 -4.206 -1.416 1.00 0.00 H new ATOM 0 HA CYS A 395 -1.725 -6.973 -1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 395 -3.705 -4.684 -1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 395 -4.048 -6.339 -1.534 1.00 0.00 H new ATOM 0 HG CYS A 395 -3.726 -3.997 0.543 1.00 0.00 H new ATOM 598 N GLY A 396 -2.789 -5.102 -4.270 1.00 0.00 N ATOM 599 CA GLY A 396 -3.061 -5.137 -5.695 1.00 0.00 C ATOM 600 C GLY A 396 -4.467 -4.679 -6.029 1.00 0.00 C ATOM 601 O GLY A 396 -4.790 -4.441 -7.193 1.00 0.00 O ATOM 0 H GLY A 396 -3.032 -4.225 -3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 396 -2.343 -4.503 -6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 396 -2.916 -6.152 -6.065 1.00 0.00 H new ATOM 605 N LEU A 397 -5.306 -4.556 -5.006 1.00 0.00 N ATOM 606 CA LEU A 397 -6.686 -4.125 -5.196 1.00 0.00 C ATOM 607 C LEU A 397 -6.745 -2.812 -5.970 1.00 0.00 C ATOM 608 O LEU A 397 -5.724 -2.153 -6.173 1.00 0.00 O ATOM 609 CB LEU A 397 -7.382 -3.964 -3.844 1.00 0.00 C ATOM 610 CG LEU A 397 -8.253 -5.138 -3.393 1.00 0.00 C ATOM 611 CD1 LEU A 397 -7.844 -5.604 -2.005 1.00 0.00 C ATOM 612 CD2 LEU A 397 -9.724 -4.749 -3.415 1.00 0.00 C ATOM 0 H LEU A 397 -5.054 -4.749 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 397 -7.203 -4.891 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 397 -6.620 -3.790 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 397 -8.004 -3.070 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 397 -8.105 -5.964 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 397 -8.475 -6.440 -1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 397 -6.802 -5.923 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 397 -7.962 -4.784 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 397 -10.329 -5.596 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 397 -9.888 -3.908 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 397 -10.010 -4.465 -4.428 1.00 0.00 H new ATOM 624 N ARG A 398 -7.945 -2.436 -6.399 1.00 0.00 N ATOM 625 CA ARG A 398 -8.137 -1.201 -7.149 1.00 0.00 C ATOM 626 C ARG A 398 -9.221 -0.339 -6.509 1.00 0.00 C ATOM 627 O ARG A 398 -10.303 -0.826 -6.181 1.00 0.00 O ATOM 628 CB ARG A 398 -8.509 -1.514 -8.600 1.00 0.00 C ATOM 629 CG ARG A 398 -7.376 -2.138 -9.398 1.00 0.00 C ATOM 630 CD ARG A 398 -7.691 -3.576 -9.780 1.00 0.00 C ATOM 631 NE ARG A 398 -8.812 -3.662 -10.712 1.00 0.00 N ATOM 632 CZ ARG A 398 -9.119 -4.760 -11.394 1.00 0.00 C ATOM 633 NH1 ARG A 398 -8.392 -5.859 -11.248 1.00 0.00 N ATOM 634 NH2 ARG A 398 -10.155 -4.760 -12.223 1.00 0.00 N ATOM 0 H ARG A 398 -8.800 -2.970 -6.240 1.00 0.00 H new ATOM 0 HA ARG A 398 -7.199 -0.646 -7.133 1.00 0.00 H new ATOM 0 HB2 ARG A 398 -9.364 -2.190 -8.609 1.00 0.00 H new ATOM 0 HB3 ARG A 398 -8.825 -0.594 -9.092 1.00 0.00 H new ATOM 0 HG2 ARG A 398 -7.198 -1.551 -10.299 1.00 0.00 H new ATOM 0 HG3 ARG A 398 -6.457 -2.109 -8.812 1.00 0.00 H new ATOM 0 HD2 ARG A 398 -6.810 -4.033 -10.230 1.00 0.00 H new ATOM 0 HD3 ARG A 398 -7.922 -4.147 -8.881 1.00 0.00 H new ATOM 0 HE ARG A 398 -9.391 -2.833 -10.847 1.00 0.00 H new ATOM 0 HH11 ARG A 398 -7.595 -5.863 -10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 398 -8.629 -6.701 -11.773 1.00 0.00 H new ATOM 0 HH21 ARG A 398 -10.717 -3.916 -12.337 1.00 0.00 H new ATOM 0 HH22 ARG A 398 -10.390 -5.604 -12.746 1.00 0.00 H new ATOM 648 N PHE A 399 -8.923 0.944 -6.335 1.00 0.00 N ATOM 649 CA PHE A 399 -9.871 1.875 -5.733 1.00 0.00 C ATOM 650 C PHE A 399 -10.128 3.062 -6.656 1.00 0.00 C ATOM 651 O PHE A 399 -9.240 3.498 -7.389 1.00 0.00 O ATOM 652 CB PHE A 399 -9.347 2.368 -4.383 1.00 0.00 C ATOM 653 CG PHE A 399 -9.065 1.261 -3.408 1.00 0.00 C ATOM 654 CD1 PHE A 399 -10.070 0.764 -2.594 1.00 0.00 C ATOM 655 CD2 PHE A 399 -7.795 0.715 -3.307 1.00 0.00 C ATOM 656 CE1 PHE A 399 -9.813 -0.254 -1.696 1.00 0.00 C ATOM 657 CE2 PHE A 399 -7.533 -0.304 -2.410 1.00 0.00 C ATOM 658 CZ PHE A 399 -8.544 -0.790 -1.605 1.00 0.00 C ATOM 0 H PHE A 399 -8.032 1.363 -6.602 1.00 0.00 H new ATOM 0 HA PHE A 399 -10.812 1.347 -5.579 1.00 0.00 H new ATOM 0 HB2 PHE A 399 -8.434 2.941 -4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 399 -10.077 3.049 -3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 399 -11.066 1.177 -2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 399 -7.001 1.090 -3.936 1.00 0.00 H new ATOM 0 HE1 PHE A 399 -10.605 -0.630 -1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 399 -6.539 -0.719 -2.339 1.00 0.00 H new ATOM 0 HZ PHE A 399 -8.342 -1.588 -0.906 1.00 0.00 H new ATOM 668 N LYS A 400 -11.351 3.581 -6.615 1.00 0.00 N ATOM 669 CA LYS A 400 -11.728 4.718 -7.446 1.00 0.00 C ATOM 670 C LYS A 400 -11.820 5.993 -6.614 1.00 0.00 C ATOM 671 O LYS A 400 -12.544 6.925 -6.967 1.00 0.00 O ATOM 672 CB LYS A 400 -13.067 4.450 -8.138 1.00 0.00 C ATOM 673 CG LYS A 400 -13.208 5.145 -9.481 1.00 0.00 C ATOM 674 CD LYS A 400 -13.657 4.178 -10.564 1.00 0.00 C ATOM 675 CE LYS A 400 -12.609 3.107 -10.824 1.00 0.00 C ATOM 676 NZ LYS A 400 -12.950 2.274 -12.011 1.00 0.00 N ATOM 0 H LYS A 400 -12.098 3.232 -6.015 1.00 0.00 H new ATOM 0 HA LYS A 400 -10.956 4.854 -8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 400 -13.184 3.376 -8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 400 -13.876 4.775 -7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 400 -13.928 5.959 -9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 400 -12.254 5.591 -9.763 1.00 0.00 H new ATOM 0 HD2 LYS A 400 -14.594 3.707 -10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 400 -13.854 4.727 -11.485 1.00 0.00 H new ATOM 0 HE2 LYS A 400 -11.638 3.578 -10.978 1.00 0.00 H new ATOM 0 HE3 LYS A 400 -12.517 2.468 -9.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 -12.212 1.556 -12.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 -13.864 1.804 -11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 -13.013 2.880 -12.854 1.00 0.00 H new ATOM 690 N ARG A 401 -11.081 6.029 -5.510 1.00 0.00 N ATOM 691 CA ARG A 401 -11.080 7.190 -4.629 1.00 0.00 C ATOM 692 C ARG A 401 -9.751 7.310 -3.889 1.00 0.00 C ATOM 693 O ARG A 401 -9.076 6.312 -3.637 1.00 0.00 O ATOM 694 CB ARG A 401 -12.229 7.094 -3.622 1.00 0.00 C ATOM 695 CG ARG A 401 -12.384 5.714 -3.005 1.00 0.00 C ATOM 696 CD ARG A 401 -13.522 4.940 -3.651 1.00 0.00 C ATOM 697 NE ARG A 401 -14.573 4.610 -2.692 1.00 0.00 N ATOM 698 CZ ARG A 401 -15.566 3.766 -2.951 1.00 0.00 C ATOM 699 NH1 ARG A 401 -15.643 3.171 -4.133 1.00 0.00 N ATOM 700 NH2 ARG A 401 -16.485 3.517 -2.026 1.00 0.00 N ATOM 0 H ARG A 401 -10.475 5.267 -5.205 1.00 0.00 H new ATOM 0 HA ARG A 401 -11.217 8.080 -5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 401 -12.066 7.822 -2.827 1.00 0.00 H new ATOM 0 HB3 ARG A 401 -13.160 7.367 -4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 401 -11.454 5.157 -3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 401 -12.570 5.811 -1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 401 -13.945 5.529 -4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 401 -13.132 4.022 -4.092 1.00 0.00 H new ATOM 0 HE ARG A 401 -14.543 5.052 -1.773 1.00 0.00 H new ATOM 0 HH11 ARG A 401 -14.939 3.361 -4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 401 -16.406 2.523 -4.329 1.00 0.00 H new ATOM 0 HH21 ARG A 401 -16.429 3.974 -1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 401 -17.247 2.869 -2.226 1.00 0.00 H new ATOM 714 N LYS A 402 -9.380 8.538 -3.545 1.00 0.00 N ATOM 715 CA LYS A 402 -8.132 8.791 -2.834 1.00 0.00 C ATOM 716 C LYS A 402 -8.342 8.723 -1.325 1.00 0.00 C ATOM 717 O LYS A 402 -7.383 8.623 -0.559 1.00 0.00 O ATOM 718 CB LYS A 402 -7.569 10.160 -3.221 1.00 0.00 C ATOM 719 CG LYS A 402 -6.470 10.093 -4.267 1.00 0.00 C ATOM 720 CD LYS A 402 -5.124 10.497 -3.690 1.00 0.00 C ATOM 721 CE LYS A 402 -3.984 10.136 -4.629 1.00 0.00 C ATOM 722 NZ LYS A 402 -2.676 10.084 -3.919 1.00 0.00 N ATOM 0 H LYS A 402 -9.926 9.375 -3.747 1.00 0.00 H new ATOM 0 HA LYS A 402 -7.418 8.018 -3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -8.380 10.783 -3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -7.180 10.649 -2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -6.407 9.080 -4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -6.720 10.748 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -5.115 11.571 -3.501 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -4.976 10.003 -2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -4.186 9.169 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -3.931 10.868 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -1.925 9.835 -4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -2.471 11.014 -3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -2.718 9.367 -3.167 1.00 0.00 H new ATOM 736 N ASP A 403 -9.601 8.776 -0.905 1.00 0.00 N ATOM 737 CA ASP A 403 -9.937 8.718 0.513 1.00 0.00 C ATOM 738 C ASP A 403 -9.846 7.287 1.035 1.00 0.00 C ATOM 739 O ASP A 403 -9.653 7.063 2.230 1.00 0.00 O ATOM 740 CB ASP A 403 -11.343 9.272 0.749 1.00 0.00 C ATOM 741 CG ASP A 403 -11.517 10.669 0.186 1.00 0.00 C ATOM 742 OD1 ASP A 403 -10.558 11.464 0.267 1.00 0.00 O ATOM 743 OD2 ASP A 403 -12.612 10.967 -0.334 1.00 0.00 O ATOM 0 H ASP A 403 -10.406 8.859 -1.526 1.00 0.00 H new ATOM 0 HA ASP A 403 -9.218 9.330 1.057 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -12.074 8.606 0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -11.550 9.286 1.819 1.00 0.00 H new ATOM 748 N ARG A 404 -9.988 6.323 0.131 1.00 0.00 N ATOM 749 CA ARG A 404 -9.924 4.914 0.501 1.00 0.00 C ATOM 750 C ARG A 404 -8.495 4.390 0.400 1.00 0.00 C ATOM 751 O ARG A 404 -7.923 3.927 1.387 1.00 0.00 O ATOM 752 CB ARG A 404 -10.847 4.087 -0.397 1.00 0.00 C ATOM 753 CG ARG A 404 -12.309 4.144 0.014 1.00 0.00 C ATOM 754 CD ARG A 404 -12.521 3.553 1.399 1.00 0.00 C ATOM 755 NE ARG A 404 -13.928 3.260 1.658 1.00 0.00 N ATOM 756 CZ ARG A 404 -14.850 4.196 1.852 1.00 0.00 C ATOM 757 NH1 ARG A 404 -14.515 5.479 1.816 1.00 0.00 N ATOM 758 NH2 ARG A 404 -16.111 3.851 2.083 1.00 0.00 N ATOM 0 H ARG A 404 -10.148 6.492 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 404 -10.255 4.820 1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 404 -10.753 4.441 -1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 404 -10.516 3.049 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 404 -12.651 5.179 0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 404 -12.914 3.600 -0.712 1.00 0.00 H new ATOM 0 HD2 ARG A 404 -11.936 2.638 1.497 1.00 0.00 H new ATOM 0 HD3 ARG A 404 -12.151 4.250 2.151 1.00 0.00 H new ATOM 0 HE ARG A 404 -14.219 2.283 1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 404 -13.547 5.749 1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 404 -15.225 6.196 1.965 1.00 0.00 H new ATOM 0 HH21 ARG A 404 -16.373 2.866 2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 404 -16.818 4.571 2.232 1.00 0.00 H new ATOM 772 N MET A 405 -7.925 4.466 -0.798 1.00 0.00 N ATOM 773 CA MET A 405 -6.562 3.999 -1.026 1.00 0.00 C ATOM 774 C MET A 405 -5.602 4.609 -0.010 1.00 0.00 C ATOM 775 O MET A 405 -4.612 3.985 0.375 1.00 0.00 O ATOM 776 CB MET A 405 -6.112 4.350 -2.446 1.00 0.00 C ATOM 777 CG MET A 405 -6.081 5.845 -2.722 1.00 0.00 C ATOM 778 SD MET A 405 -4.466 6.578 -2.398 1.00 0.00 S ATOM 779 CE MET A 405 -3.462 5.739 -3.622 1.00 0.00 C ATOM 0 H MET A 405 -8.385 4.846 -1.625 1.00 0.00 H new ATOM 0 HA MET A 405 -6.550 2.916 -0.906 1.00 0.00 H new ATOM 0 HB2 MET A 405 -5.118 3.937 -2.616 1.00 0.00 H new ATOM 0 HB3 MET A 405 -6.782 3.871 -3.160 1.00 0.00 H new ATOM 0 HG2 MET A 405 -6.355 6.024 -3.762 1.00 0.00 H new ATOM 0 HG3 MET A 405 -6.831 6.340 -2.105 1.00 0.00 H new ATOM 0 HE1 MET A 405 -2.495 5.486 -3.188 1.00 0.00 H new ATOM 0 HE2 MET A 405 -3.966 4.827 -3.943 1.00 0.00 H new ATOM 0 HE3 MET A 405 -3.314 6.393 -4.481 1.00 0.00 H new ATOM 789 N SER A 406 -5.899 5.831 0.420 1.00 0.00 N ATOM 790 CA SER A 406 -5.059 6.526 1.389 1.00 0.00 C ATOM 791 C SER A 406 -5.053 5.793 2.727 1.00 0.00 C ATOM 792 O SER A 406 -4.007 5.635 3.356 1.00 0.00 O ATOM 793 CB SER A 406 -5.549 7.962 1.583 1.00 0.00 C ATOM 794 OG SER A 406 -5.013 8.528 2.766 1.00 0.00 O ATOM 0 H SER A 406 -6.715 6.360 0.113 1.00 0.00 H new ATOM 0 HA SER A 406 -4.040 6.547 1.001 1.00 0.00 H new ATOM 0 HB2 SER A 406 -5.261 8.567 0.724 1.00 0.00 H new ATOM 0 HB3 SER A 406 -6.638 7.975 1.631 1.00 0.00 H new ATOM 0 HG SER A 406 -5.340 9.446 2.866 1.00 0.00 H new ATOM 800 N TYR A 407 -6.229 5.349 3.156 1.00 0.00 N ATOM 801 CA TYR A 407 -6.361 4.636 4.421 1.00 0.00 C ATOM 802 C TYR A 407 -5.970 3.170 4.263 1.00 0.00 C ATOM 803 O TYR A 407 -5.642 2.494 5.239 1.00 0.00 O ATOM 804 CB TYR A 407 -7.796 4.739 4.941 1.00 0.00 C ATOM 805 CG TYR A 407 -8.018 5.903 5.880 1.00 0.00 C ATOM 806 CD1 TYR A 407 -7.505 5.888 7.171 1.00 0.00 C ATOM 807 CD2 TYR A 407 -8.739 7.020 5.475 1.00 0.00 C ATOM 808 CE1 TYR A 407 -7.706 6.949 8.032 1.00 0.00 C ATOM 809 CE2 TYR A 407 -8.944 8.086 6.329 1.00 0.00 C ATOM 810 CZ TYR A 407 -8.426 8.046 7.606 1.00 0.00 C ATOM 811 OH TYR A 407 -8.627 9.106 8.460 1.00 0.00 O ATOM 0 H TYR A 407 -7.104 5.470 2.647 1.00 0.00 H new ATOM 0 HA TYR A 407 -5.686 5.098 5.142 1.00 0.00 H new ATOM 0 HB2 TYR A 407 -8.475 4.832 4.093 1.00 0.00 H new ATOM 0 HB3 TYR A 407 -8.054 3.814 5.456 1.00 0.00 H new ATOM 0 HD1 TYR A 407 -6.939 5.032 7.507 1.00 0.00 H new ATOM 0 HD2 TYR A 407 -9.146 7.055 4.475 1.00 0.00 H new ATOM 0 HE1 TYR A 407 -7.302 6.920 9.033 1.00 0.00 H new ATOM 0 HE2 TYR A 407 -9.507 8.946 5.998 1.00 0.00 H new ATOM 0 HH TYR A 407 -9.152 9.797 8.005 1.00 0.00 H new ATOM 821 N HIS A 408 -6.006 2.684 3.026 1.00 0.00 N ATOM 822 CA HIS A 408 -5.654 1.299 2.738 1.00 0.00 C ATOM 823 C HIS A 408 -4.139 1.124 2.679 1.00 0.00 C ATOM 824 O HIS A 408 -3.583 0.221 3.306 1.00 0.00 O ATOM 825 CB HIS A 408 -6.281 0.855 1.416 1.00 0.00 C ATOM 826 CG HIS A 408 -5.909 -0.539 1.014 1.00 0.00 C ATOM 827 ND1 HIS A 408 -6.528 -1.660 1.525 1.00 0.00 N ATOM 828 CD2 HIS A 408 -4.976 -0.990 0.144 1.00 0.00 C ATOM 829 CE1 HIS A 408 -5.990 -2.741 0.988 1.00 0.00 C ATOM 830 NE2 HIS A 408 -5.046 -2.361 0.146 1.00 0.00 N ATOM 0 H HIS A 408 -6.276 3.229 2.207 1.00 0.00 H new ATOM 0 HA HIS A 408 -6.043 0.677 3.544 1.00 0.00 H new ATOM 0 HB2 HIS A 408 -7.366 0.924 1.497 1.00 0.00 H new ATOM 0 HB3 HIS A 408 -5.976 1.545 0.629 1.00 0.00 H new ATOM 0 HD1 HIS A 408 -7.283 -1.656 2.211 1.00 0.00 H new ATOM 0 HD2 HIS A 408 -4.302 -0.384 -0.443 1.00 0.00 H new ATOM 0 HE1 HIS A 408 -6.274 -3.761 1.201 1.00 0.00 H new ATOM 838 N VAL A 409 -3.477 1.992 1.922 1.00 0.00 N ATOM 839 CA VAL A 409 -2.027 1.934 1.782 1.00 0.00 C ATOM 840 C VAL A 409 -1.336 2.152 3.123 1.00 0.00 C ATOM 841 O VAL A 409 -0.621 1.278 3.614 1.00 0.00 O ATOM 842 CB VAL A 409 -1.517 2.986 0.778 1.00 0.00 C ATOM 843 CG1 VAL A 409 -0.001 2.936 0.676 1.00 0.00 C ATOM 844 CG2 VAL A 409 -2.159 2.776 -0.585 1.00 0.00 C ATOM 0 H VAL A 409 -3.922 2.744 1.396 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.785 0.939 1.409 1.00 0.00 H new ATOM 0 HB VAL A 409 -1.800 3.975 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 409 0.341 3.686 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 409 0.436 3.139 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 409 0.309 1.947 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -1.788 3.527 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.909 1.782 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -3.241 2.868 -0.495 1.00 0.00 H new ATOM 854 N ARG A 410 -1.555 3.323 3.713 1.00 0.00 N ATOM 855 CA ARG A 410 -0.952 3.656 4.998 1.00 0.00 C ATOM 856 C ARG A 410 -1.226 2.562 6.026 1.00 0.00 C ATOM 857 O ARG A 410 -0.376 2.255 6.862 1.00 0.00 O ATOM 858 CB ARG A 410 -1.490 4.994 5.506 1.00 0.00 C ATOM 859 CG ARG A 410 -1.332 6.132 4.510 1.00 0.00 C ATOM 860 CD ARG A 410 -0.234 7.094 4.934 1.00 0.00 C ATOM 861 NE ARG A 410 -0.633 7.911 6.078 1.00 0.00 N ATOM 862 CZ ARG A 410 -1.513 8.903 6.001 1.00 0.00 C ATOM 863 NH1 ARG A 410 -2.083 9.200 4.841 1.00 0.00 N ATOM 864 NH2 ARG A 410 -1.825 9.600 7.086 1.00 0.00 N ATOM 0 H ARG A 410 -2.146 4.057 3.321 1.00 0.00 H new ATOM 0 HA ARG A 410 0.126 3.736 4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 410 -2.546 4.882 5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 410 -0.974 5.256 6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 410 -1.101 5.726 3.525 1.00 0.00 H new ATOM 0 HG3 ARG A 410 -2.275 6.671 4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 410 0.664 6.530 5.187 1.00 0.00 H new ATOM 0 HD3 ARG A 410 0.022 7.743 4.097 1.00 0.00 H new ATOM 0 HE ARG A 410 -0.213 7.708 6.985 1.00 0.00 H new ATOM 0 HH11 ARG A 410 -1.846 8.666 4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 410 -2.758 9.962 4.785 1.00 0.00 H new ATOM 0 HH21 ARG A 410 -1.389 9.374 7.980 1.00 0.00 H new ATOM 0 HH22 ARG A 410 -2.501 10.362 7.026 1.00 0.00 H new ATOM 878 N SER A 411 -2.418 1.978 5.958 1.00 0.00 N ATOM 879 CA SER A 411 -2.806 0.921 6.885 1.00 0.00 C ATOM 880 C SER A 411 -1.753 -0.182 6.923 1.00 0.00 C ATOM 881 O SER A 411 -1.567 -0.844 7.945 1.00 0.00 O ATOM 882 CB SER A 411 -4.161 0.335 6.486 1.00 0.00 C ATOM 883 OG SER A 411 -4.181 -1.071 6.664 1.00 0.00 O ATOM 0 H SER A 411 -3.132 2.219 5.271 1.00 0.00 H new ATOM 0 HA SER A 411 -2.886 1.357 7.881 1.00 0.00 H new ATOM 0 HB2 SER A 411 -4.949 0.792 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 411 -4.372 0.576 5.444 1.00 0.00 H new ATOM 0 HG SER A 411 -5.058 -1.421 6.404 1.00 0.00 H new ATOM 889 N HIS A 412 -1.066 -0.375 5.801 1.00 0.00 N ATOM 890 CA HIS A 412 -0.031 -1.398 5.704 1.00 0.00 C ATOM 891 C HIS A 412 1.310 -0.862 6.197 1.00 0.00 C ATOM 892 O HIS A 412 2.030 -1.542 6.928 1.00 0.00 O ATOM 893 CB HIS A 412 0.100 -1.885 4.261 1.00 0.00 C ATOM 894 CG HIS A 412 -1.213 -2.199 3.613 1.00 0.00 C ATOM 895 ND1 HIS A 412 -2.173 -2.993 4.204 1.00 0.00 N ATOM 896 CD2 HIS A 412 -1.723 -1.820 2.418 1.00 0.00 C ATOM 897 CE1 HIS A 412 -3.217 -3.090 3.400 1.00 0.00 C ATOM 898 NE2 HIS A 412 -2.970 -2.387 2.310 1.00 0.00 N ATOM 0 H HIS A 412 -1.208 0.164 4.947 1.00 0.00 H new ATOM 0 HA HIS A 412 -0.322 -2.236 6.337 1.00 0.00 H new ATOM 0 HB2 HIS A 412 0.612 -1.123 3.674 1.00 0.00 H new ATOM 0 HB3 HIS A 412 0.727 -2.776 4.243 1.00 0.00 H new ATOM 0 HD2 HIS A 412 -1.240 -1.190 1.686 1.00 0.00 H new ATOM 0 HE1 HIS A 412 -4.119 -3.649 3.600 1.00 0.00 H new ATOM 0 HE2 HIS A 412 -3.602 -2.282 1.517 1.00 0.00 H new ATOM 959 N LYS A 418 15.469 3.732 8.699 1.00 0.00 N ATOM 960 CA LYS A 418 16.871 3.549 9.054 1.00 0.00 C ATOM 961 C LYS A 418 17.367 2.173 8.622 1.00 0.00 C ATOM 962 O LYS A 418 16.585 1.252 8.385 1.00 0.00 O ATOM 963 CB LYS A 418 17.065 3.722 10.562 1.00 0.00 C ATOM 964 CG LYS A 418 17.310 5.161 10.983 1.00 0.00 C ATOM 965 CD LYS A 418 16.188 6.076 10.521 1.00 0.00 C ATOM 966 CE LYS A 418 16.322 7.468 11.118 1.00 0.00 C ATOM 967 NZ LYS A 418 15.687 8.505 10.257 1.00 0.00 N ATOM 0 HA LYS A 418 17.453 4.307 8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 418 16.182 3.346 11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 418 17.907 3.110 10.884 1.00 0.00 H new ATOM 0 HG2 LYS A 418 17.400 5.213 12.068 1.00 0.00 H new ATOM 0 HG3 LYS A 418 18.257 5.506 10.568 1.00 0.00 H new ATOM 0 HD2 LYS A 418 16.197 6.143 9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 418 15.227 5.648 10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 418 15.862 7.485 12.106 1.00 0.00 H new ATOM 0 HE3 LYS A 418 17.377 7.705 11.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 15.800 9.440 10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 16.143 8.507 9.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 14.675 8.294 10.148 1.00 0.00 H new ATOM 981 N PRO A 419 18.696 2.027 8.517 1.00 0.00 N ATOM 982 CA PRO A 419 19.325 0.766 8.115 1.00 0.00 C ATOM 983 C PRO A 419 19.192 -0.314 9.183 1.00 0.00 C ATOM 984 O PRO A 419 18.901 -1.471 8.878 1.00 0.00 O ATOM 985 CB PRO A 419 20.794 1.148 7.921 1.00 0.00 C ATOM 986 CG PRO A 419 20.994 2.339 8.793 1.00 0.00 C ATOM 987 CD PRO A 419 19.687 3.083 8.784 1.00 0.00 C ATOM 0 HA PRO A 419 18.859 0.344 7.224 1.00 0.00 H new ATOM 0 HB2 PRO A 419 21.457 0.331 8.208 1.00 0.00 H new ATOM 0 HB3 PRO A 419 21.008 1.381 6.878 1.00 0.00 H new ATOM 0 HG2 PRO A 419 21.266 2.040 9.805 1.00 0.00 H new ATOM 0 HG3 PRO A 419 21.803 2.966 8.418 1.00 0.00 H new ATOM 0 HD2 PRO A 419 19.500 3.578 9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 419 19.669 3.855 8.015 1.00 0.00 H new ATOM 995 N TYR A 420 19.408 0.070 10.437 1.00 0.00 N ATOM 996 CA TYR A 420 19.314 -0.866 11.550 1.00 0.00 C ATOM 997 C TYR A 420 18.148 -0.508 12.467 1.00 0.00 C ATOM 998 O TYR A 420 17.963 0.655 12.827 1.00 0.00 O ATOM 999 CB TYR A 420 20.619 -0.876 12.347 1.00 0.00 C ATOM 1000 CG TYR A 420 21.843 -1.146 11.501 1.00 0.00 C ATOM 1001 CD1 TYR A 420 22.028 -2.378 10.886 1.00 0.00 C ATOM 1002 CD2 TYR A 420 22.814 -0.170 11.317 1.00 0.00 C ATOM 1003 CE1 TYR A 420 23.145 -2.630 10.112 1.00 0.00 C ATOM 1004 CE2 TYR A 420 23.933 -0.412 10.544 1.00 0.00 C ATOM 1005 CZ TYR A 420 24.094 -1.643 9.944 1.00 0.00 C ATOM 1006 OH TYR A 420 25.208 -1.889 9.175 1.00 0.00 O ATOM 0 H TYR A 420 19.649 1.023 10.707 1.00 0.00 H new ATOM 0 HA TYR A 420 19.138 -1.861 11.140 1.00 0.00 H new ATOM 0 HB2 TYR A 420 20.738 0.086 12.846 1.00 0.00 H new ATOM 0 HB3 TYR A 420 20.553 -1.634 13.127 1.00 0.00 H new ATOM 0 HD1 TYR A 420 21.286 -3.152 11.015 1.00 0.00 H new ATOM 0 HD2 TYR A 420 22.692 0.795 11.786 1.00 0.00 H new ATOM 0 HE1 TYR A 420 23.274 -3.594 9.642 1.00 0.00 H new ATOM 0 HE2 TYR A 420 24.678 0.359 10.410 1.00 0.00 H new ATOM 0 HH TYR A 420 25.776 -1.091 9.157 1.00 0.00 H new ATOM 1016 N ILE A 421 17.366 -1.515 12.840 1.00 0.00 N ATOM 1017 CA ILE A 421 16.220 -1.307 13.716 1.00 0.00 C ATOM 1018 C ILE A 421 16.267 -2.247 14.916 1.00 0.00 C ATOM 1019 O ILE A 421 16.745 -3.377 14.815 1.00 0.00 O ATOM 1020 CB ILE A 421 14.892 -1.519 12.965 1.00 0.00 C ATOM 1021 CG1 ILE A 421 14.883 -2.884 12.275 1.00 0.00 C ATOM 1022 CG2 ILE A 421 14.674 -0.405 11.952 1.00 0.00 C ATOM 1023 CD1 ILE A 421 15.474 -2.861 10.883 1.00 0.00 C ATOM 0 H ILE A 421 17.505 -2.483 12.549 1.00 0.00 H new ATOM 0 HA ILE A 421 16.272 -0.275 14.063 1.00 0.00 H new ATOM 0 HB ILE A 421 14.075 -1.493 13.686 1.00 0.00 H new ATOM 0 HG12 ILE A 421 15.440 -3.595 12.886 1.00 0.00 H new ATOM 0 HG13 ILE A 421 13.857 -3.247 12.219 1.00 0.00 H new ATOM 0 HG21 ILE A 421 13.732 -0.568 11.429 1.00 0.00 H new ATOM 0 HG22 ILE A 421 14.641 0.555 12.468 1.00 0.00 H new ATOM 0 HG23 ILE A 421 15.493 -0.402 11.232 1.00 0.00 H new ATOM 0 HD11 ILE A 421 15.435 -3.862 10.454 1.00 0.00 H new ATOM 0 HD12 ILE A 421 14.903 -2.176 10.257 1.00 0.00 H new ATOM 0 HD13 ILE A 421 16.511 -2.528 10.933 1.00 0.00 H new ATOM 1035 N CYS A 422 15.767 -1.773 16.052 1.00 0.00 N ATOM 1036 CA CYS A 422 15.750 -2.571 17.273 1.00 0.00 C ATOM 1037 C CYS A 422 15.109 -3.933 17.023 1.00 0.00 C ATOM 1038 O CYS A 422 14.360 -4.110 16.063 1.00 0.00 O ATOM 1039 CB CYS A 422 14.993 -1.833 18.378 1.00 0.00 C ATOM 1040 SG CYS A 422 15.359 -2.433 20.059 1.00 0.00 S ATOM 0 H CYS A 422 15.368 -0.840 16.153 1.00 0.00 H new ATOM 0 HA CYS A 422 16.781 -2.727 17.591 1.00 0.00 H new ATOM 0 HB2 CYS A 422 15.234 -0.771 18.322 1.00 0.00 H new ATOM 0 HB3 CYS A 422 13.923 -1.927 18.195 1.00 0.00 H new ATOM 0 HG CYS A 422 14.285 -2.365 20.788 1.00 0.00 H new ATOM 1045 N GLN A 423 15.409 -4.890 17.895 1.00 0.00 N ATOM 1046 CA GLN A 423 14.863 -6.236 17.769 1.00 0.00 C ATOM 1047 C GLN A 423 13.579 -6.381 18.580 1.00 0.00 C ATOM 1048 O GLN A 423 12.902 -7.406 18.511 1.00 0.00 O ATOM 1049 CB GLN A 423 15.890 -7.271 18.230 1.00 0.00 C ATOM 1050 CG GLN A 423 16.282 -8.263 17.147 1.00 0.00 C ATOM 1051 CD GLN A 423 17.766 -8.574 17.149 1.00 0.00 C ATOM 1052 OE1 GLN A 423 18.306 -9.076 18.135 1.00 0.00 O ATOM 1053 NE2 GLN A 423 18.435 -8.276 16.041 1.00 0.00 N ATOM 0 H GLN A 423 16.027 -4.758 18.696 1.00 0.00 H new ATOM 0 HA GLN A 423 14.629 -6.409 16.718 1.00 0.00 H new ATOM 0 HB2 GLN A 423 16.784 -6.754 18.578 1.00 0.00 H new ATOM 0 HB3 GLN A 423 15.486 -7.817 19.082 1.00 0.00 H new ATOM 0 HG2 GLN A 423 15.721 -9.187 17.286 1.00 0.00 H new ATOM 0 HG3 GLN A 423 16.000 -7.862 16.173 1.00 0.00 H new ATOM 0 HE21 GLN A 423 17.948 -7.861 15.247 1.00 0.00 H new ATOM 0 HE22 GLN A 423 19.436 -8.462 15.984 1.00 0.00 H new ATOM 1062 N SER A 424 13.250 -5.346 19.347 1.00 0.00 N ATOM 1063 CA SER A 424 12.050 -5.360 20.175 1.00 0.00 C ATOM 1064 C SER A 424 10.998 -4.404 19.621 1.00 0.00 C ATOM 1065 O SER A 424 10.014 -4.828 19.014 1.00 0.00 O ATOM 1066 CB SER A 424 12.393 -4.979 21.616 1.00 0.00 C ATOM 1067 OG SER A 424 12.605 -6.132 22.412 1.00 0.00 O ATOM 0 H SER A 424 13.797 -4.488 19.412 1.00 0.00 H new ATOM 0 HA SER A 424 11.642 -6.371 20.162 1.00 0.00 H new ATOM 0 HB2 SER A 424 13.287 -4.356 21.628 1.00 0.00 H new ATOM 0 HB3 SER A 424 11.584 -4.384 22.040 1.00 0.00 H new ATOM 0 HG SER A 424 12.824 -5.861 23.328 1.00 0.00 H new ATOM 1073 N CYS A 425 11.213 -3.110 19.835 1.00 0.00 N ATOM 1074 CA CYS A 425 10.285 -2.091 19.359 1.00 0.00 C ATOM 1075 C CYS A 425 10.456 -1.856 17.861 1.00 0.00 C ATOM 1076 O CYS A 425 9.586 -1.282 17.208 1.00 0.00 O ATOM 1077 CB CYS A 425 10.498 -0.781 20.120 1.00 0.00 C ATOM 1078 SG CYS A 425 12.179 -0.096 19.963 1.00 0.00 S ATOM 0 H CYS A 425 12.022 -2.742 20.335 1.00 0.00 H new ATOM 0 HA CYS A 425 9.271 -2.447 19.539 1.00 0.00 H new ATOM 0 HB2 CYS A 425 9.781 -0.043 19.760 1.00 0.00 H new ATOM 0 HB3 CYS A 425 10.282 -0.947 21.175 1.00 0.00 H new ATOM 0 HG CYS A 425 12.736 -0.040 21.136 1.00 0.00 H new ATOM 1083 N GLY A 426 11.587 -2.304 17.323 1.00 0.00 N ATOM 1084 CA GLY A 426 11.853 -2.134 15.906 1.00 0.00 C ATOM 1085 C GLY A 426 11.615 -0.711 15.439 1.00 0.00 C ATOM 1086 O GLY A 426 10.794 -0.469 14.554 1.00 0.00 O ATOM 0 H GLY A 426 12.323 -2.781 17.843 1.00 0.00 H new ATOM 0 HA2 GLY A 426 12.885 -2.414 15.697 1.00 0.00 H new ATOM 0 HA3 GLY A 426 11.217 -2.812 15.336 1.00 0.00 H new ATOM 1090 N LYS A 427 12.335 0.233 16.035 1.00 0.00 N ATOM 1091 CA LYS A 427 12.199 1.640 15.676 1.00 0.00 C ATOM 1092 C LYS A 427 13.093 1.987 14.490 1.00 0.00 C ATOM 1093 O LYS A 427 12.617 2.134 13.365 1.00 0.00 O ATOM 1094 CB LYS A 427 12.552 2.529 16.871 1.00 0.00 C ATOM 1095 CG LYS A 427 12.481 4.015 16.565 1.00 0.00 C ATOM 1096 CD LYS A 427 12.546 4.849 17.834 1.00 0.00 C ATOM 1097 CE LYS A 427 13.215 6.192 17.584 1.00 0.00 C ATOM 1098 NZ LYS A 427 12.556 6.942 16.479 1.00 0.00 N ATOM 0 H LYS A 427 13.019 0.049 16.769 1.00 0.00 H new ATOM 0 HA LYS A 427 11.162 1.818 15.392 1.00 0.00 H new ATOM 0 HB2 LYS A 427 11.874 2.303 17.694 1.00 0.00 H new ATOM 0 HB3 LYS A 427 13.558 2.284 17.211 1.00 0.00 H new ATOM 0 HG2 LYS A 427 13.303 4.291 15.904 1.00 0.00 H new ATOM 0 HG3 LYS A 427 11.556 4.234 16.032 1.00 0.00 H new ATOM 0 HD2 LYS A 427 11.538 5.009 18.218 1.00 0.00 H new ATOM 0 HD3 LYS A 427 13.096 4.304 18.601 1.00 0.00 H new ATOM 0 HE2 LYS A 427 13.185 6.788 18.496 1.00 0.00 H new ATOM 0 HE3 LYS A 427 14.266 6.035 17.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 12.914 7.918 16.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 12.766 6.479 15.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 11.527 6.953 16.632 1.00 0.00 H new ATOM 1112 N GLY A 428 14.390 2.116 14.749 1.00 0.00 N ATOM 1113 CA GLY A 428 15.329 2.443 13.693 1.00 0.00 C ATOM 1114 C GLY A 428 16.275 3.562 14.083 1.00 0.00 C ATOM 1115 O GLY A 428 15.840 4.632 14.508 1.00 0.00 O ATOM 0 H GLY A 428 14.808 2.000 15.672 1.00 0.00 H new ATOM 0 HA2 GLY A 428 15.907 1.555 13.438 1.00 0.00 H new ATOM 0 HA3 GLY A 428 14.778 2.733 12.798 1.00 0.00 H new ATOM 1119 N PHE A 429 17.573 3.314 13.941 1.00 0.00 N ATOM 1120 CA PHE A 429 18.583 4.308 14.285 1.00 0.00 C ATOM 1121 C PHE A 429 19.541 4.535 13.119 1.00 0.00 C ATOM 1122 O PHE A 429 19.950 3.591 12.444 1.00 0.00 O ATOM 1123 CB PHE A 429 19.365 3.865 15.523 1.00 0.00 C ATOM 1124 CG PHE A 429 18.547 3.873 16.783 1.00 0.00 C ATOM 1125 CD1 PHE A 429 17.661 2.844 17.057 1.00 0.00 C ATOM 1126 CD2 PHE A 429 18.664 4.911 17.693 1.00 0.00 C ATOM 1127 CE1 PHE A 429 16.908 2.849 18.215 1.00 0.00 C ATOM 1128 CE2 PHE A 429 17.914 4.921 18.854 1.00 0.00 C ATOM 1129 CZ PHE A 429 17.033 3.889 19.114 1.00 0.00 C ATOM 0 H PHE A 429 17.950 2.434 13.590 1.00 0.00 H new ATOM 0 HA PHE A 429 18.074 5.247 14.503 1.00 0.00 H new ATOM 0 HB2 PHE A 429 19.753 2.860 15.357 1.00 0.00 H new ATOM 0 HB3 PHE A 429 20.225 4.521 15.654 1.00 0.00 H new ATOM 0 HD1 PHE A 429 17.558 2.028 16.357 1.00 0.00 H new ATOM 0 HD2 PHE A 429 19.349 5.722 17.493 1.00 0.00 H new ATOM 0 HE1 PHE A 429 16.222 2.040 18.417 1.00 0.00 H new ATOM 0 HE2 PHE A 429 18.017 5.734 19.557 1.00 0.00 H new ATOM 0 HZ PHE A 429 16.443 3.896 20.019 1.00 0.00 H new ATOM 1139 N SER A 430 19.894 5.796 12.888 1.00 0.00 N ATOM 1140 CA SER A 430 20.800 6.149 11.802 1.00 0.00 C ATOM 1141 C SER A 430 22.077 5.316 11.867 1.00 0.00 C ATOM 1142 O SER A 430 22.446 4.650 10.899 1.00 0.00 O ATOM 1143 CB SER A 430 21.146 7.638 11.862 1.00 0.00 C ATOM 1144 OG SER A 430 21.525 8.126 10.586 1.00 0.00 O ATOM 0 H SER A 430 19.566 6.590 13.439 1.00 0.00 H new ATOM 0 HA SER A 430 20.296 5.938 10.859 1.00 0.00 H new ATOM 0 HB2 SER A 430 20.287 8.200 12.229 1.00 0.00 H new ATOM 0 HB3 SER A 430 21.958 7.798 12.572 1.00 0.00 H new ATOM 0 HG SER A 430 21.739 9.080 10.651 1.00 0.00 H new ATOM 1150 N ARG A 431 22.747 5.360 13.013 1.00 0.00 N ATOM 1151 CA ARG A 431 23.983 4.611 13.205 1.00 0.00 C ATOM 1152 C ARG A 431 23.737 3.363 14.047 1.00 0.00 C ATOM 1153 O ARG A 431 22.741 3.253 14.762 1.00 0.00 O ATOM 1154 CB ARG A 431 25.039 5.492 13.875 1.00 0.00 C ATOM 1155 CG ARG A 431 26.040 6.091 12.901 1.00 0.00 C ATOM 1156 CD ARG A 431 25.410 7.194 12.064 1.00 0.00 C ATOM 1157 NE ARG A 431 26.383 7.837 11.185 1.00 0.00 N ATOM 1158 CZ ARG A 431 26.815 7.300 10.049 1.00 0.00 C ATOM 1159 NH1 ARG A 431 26.363 6.117 9.657 1.00 0.00 N ATOM 1160 NH2 ARG A 431 27.701 7.947 9.303 1.00 0.00 N ATOM 0 H ARG A 431 22.455 5.907 13.823 1.00 0.00 H new ATOM 0 HA ARG A 431 24.347 4.301 12.225 1.00 0.00 H new ATOM 0 HB2 ARG A 431 24.540 6.299 14.411 1.00 0.00 H new ATOM 0 HB3 ARG A 431 25.576 4.901 14.617 1.00 0.00 H new ATOM 0 HG2 ARG A 431 26.891 6.492 13.452 1.00 0.00 H new ATOM 0 HG3 ARG A 431 26.424 5.309 12.246 1.00 0.00 H new ATOM 0 HD2 ARG A 431 24.600 6.777 11.465 1.00 0.00 H new ATOM 0 HD3 ARG A 431 24.967 7.941 12.723 1.00 0.00 H new ATOM 0 HE ARG A 431 26.751 8.748 11.458 1.00 0.00 H new ATOM 0 HH11 ARG A 431 25.682 5.617 10.228 1.00 0.00 H new ATOM 0 HH12 ARG A 431 26.696 5.707 8.784 1.00 0.00 H new ATOM 0 HH21 ARG A 431 28.051 8.857 9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 431 28.032 7.534 8.431 1.00 0.00 H new ATOM 1174 N PRO A 432 24.666 2.399 13.962 1.00 0.00 N ATOM 1175 CA PRO A 432 24.572 1.141 14.709 1.00 0.00 C ATOM 1176 C PRO A 432 24.776 1.340 16.207 1.00 0.00 C ATOM 1177 O PRO A 432 23.996 0.844 17.021 1.00 0.00 O ATOM 1178 CB PRO A 432 25.705 0.295 14.123 1.00 0.00 C ATOM 1179 CG PRO A 432 26.688 1.286 13.603 1.00 0.00 C ATOM 1180 CD PRO A 432 25.879 2.462 13.130 1.00 0.00 C ATOM 0 HA PRO A 432 23.587 0.683 14.615 1.00 0.00 H new ATOM 0 HB2 PRO A 432 26.153 -0.346 14.882 1.00 0.00 H new ATOM 0 HB3 PRO A 432 25.342 -0.357 13.328 1.00 0.00 H new ATOM 0 HG2 PRO A 432 27.391 1.584 14.381 1.00 0.00 H new ATOM 0 HG3 PRO A 432 27.275 0.863 12.788 1.00 0.00 H new ATOM 0 HD2 PRO A 432 26.415 3.401 13.271 1.00 0.00 H new ATOM 0 HD3 PRO A 432 25.643 2.386 12.069 1.00 0.00 H new ATOM 1188 N ASP A 433 25.827 2.070 16.565 1.00 0.00 N ATOM 1189 CA ASP A 433 26.132 2.336 17.966 1.00 0.00 C ATOM 1190 C ASP A 433 24.918 2.915 18.686 1.00 0.00 C ATOM 1191 O ASP A 433 24.718 2.678 19.877 1.00 0.00 O ATOM 1192 CB ASP A 433 27.315 3.299 18.078 1.00 0.00 C ATOM 1193 CG ASP A 433 28.407 2.771 18.987 1.00 0.00 C ATOM 1194 OD1 ASP A 433 28.950 1.685 18.694 1.00 0.00 O ATOM 1195 OD2 ASP A 433 28.719 3.444 19.991 1.00 0.00 O ATOM 0 H ASP A 433 26.482 2.488 15.904 1.00 0.00 H new ATOM 0 HA ASP A 433 26.397 1.391 18.441 1.00 0.00 H new ATOM 0 HB2 ASP A 433 27.728 3.479 17.086 1.00 0.00 H new ATOM 0 HB3 ASP A 433 26.964 4.259 18.456 1.00 0.00 H new ATOM 1200 N HIS A 434 24.110 3.677 17.954 1.00 0.00 N ATOM 1201 CA HIS A 434 22.916 4.291 18.523 1.00 0.00 C ATOM 1202 C HIS A 434 21.918 3.227 18.970 1.00 0.00 C ATOM 1203 O HIS A 434 21.225 3.393 19.974 1.00 0.00 O ATOM 1204 CB HIS A 434 22.262 5.225 17.504 1.00 0.00 C ATOM 1205 CG HIS A 434 23.087 6.433 17.184 1.00 0.00 C ATOM 1206 ND1 HIS A 434 22.537 7.656 16.862 1.00 0.00 N ATOM 1207 CD2 HIS A 434 24.429 6.602 17.138 1.00 0.00 C ATOM 1208 CE1 HIS A 434 23.505 8.524 16.631 1.00 0.00 C ATOM 1209 NE2 HIS A 434 24.663 7.910 16.791 1.00 0.00 N ATOM 0 H HIS A 434 24.261 3.883 16.967 1.00 0.00 H new ATOM 0 HA HIS A 434 23.216 4.871 19.396 1.00 0.00 H new ATOM 0 HB2 HIS A 434 22.072 4.671 16.585 1.00 0.00 H new ATOM 0 HB3 HIS A 434 21.294 5.547 17.888 1.00 0.00 H new ATOM 0 HD2 HIS A 434 25.177 5.849 17.337 1.00 0.00 H new ATOM 0 HE1 HIS A 434 23.372 9.560 16.358 1.00 0.00 H new ATOM 0 HE2 HIS A 434 25.582 8.338 16.676 1.00 0.00 H new ATOM 1217 N LEU A 435 21.850 2.134 18.217 1.00 0.00 N ATOM 1218 CA LEU A 435 20.936 1.042 18.534 1.00 0.00 C ATOM 1219 C LEU A 435 21.434 0.247 19.736 1.00 0.00 C ATOM 1220 O LEU A 435 20.642 -0.247 20.538 1.00 0.00 O ATOM 1221 CB LEU A 435 20.776 0.117 17.327 1.00 0.00 C ATOM 1222 CG LEU A 435 19.821 -1.064 17.507 1.00 0.00 C ATOM 1223 CD1 LEU A 435 18.398 -0.572 17.720 1.00 0.00 C ATOM 1224 CD2 LEU A 435 19.892 -1.995 16.305 1.00 0.00 C ATOM 0 H LEU A 435 22.417 1.981 17.383 1.00 0.00 H new ATOM 0 HA LEU A 435 19.967 1.474 18.783 1.00 0.00 H new ATOM 0 HB2 LEU A 435 20.430 0.712 16.482 1.00 0.00 H new ATOM 0 HB3 LEU A 435 21.758 -0.273 17.061 1.00 0.00 H new ATOM 0 HG LEU A 435 20.126 -1.622 18.392 1.00 0.00 H new ATOM 0 HD11 LEU A 435 17.733 -1.426 17.846 1.00 0.00 H new ATOM 0 HD12 LEU A 435 18.359 0.053 18.612 1.00 0.00 H new ATOM 0 HD13 LEU A 435 18.081 0.010 16.855 1.00 0.00 H new ATOM 0 HD21 LEU A 435 19.206 -2.830 16.450 1.00 0.00 H new ATOM 0 HD22 LEU A 435 19.613 -1.448 15.404 1.00 0.00 H new ATOM 0 HD23 LEU A 435 20.908 -2.375 16.198 1.00 0.00 H new ATOM 1236 N ASN A 436 22.753 0.128 19.856 1.00 0.00 N ATOM 1237 CA ASN A 436 23.357 -0.606 20.961 1.00 0.00 C ATOM 1238 C ASN A 436 23.018 0.047 22.298 1.00 0.00 C ATOM 1239 O ASN A 436 22.821 -0.635 23.302 1.00 0.00 O ATOM 1240 CB ASN A 436 24.876 -0.675 20.785 1.00 0.00 C ATOM 1241 CG ASN A 436 25.586 -1.104 22.054 1.00 0.00 C ATOM 1242 OD1 ASN A 436 25.736 -2.296 22.323 1.00 0.00 O ATOM 1243 ND2 ASN A 436 26.027 -0.130 22.843 1.00 0.00 N ATOM 0 H ASN A 436 23.423 0.531 19.201 1.00 0.00 H new ATOM 0 HA ASN A 436 22.951 -1.618 20.958 1.00 0.00 H new ATOM 0 HB2 ASN A 436 25.115 -1.375 19.984 1.00 0.00 H new ATOM 0 HB3 ASN A 436 25.248 0.302 20.476 1.00 0.00 H new ATOM 0 HD21 ASN A 436 26.512 -0.357 23.711 1.00 0.00 H new ATOM 0 HD22 ASN A 436 25.881 0.845 22.580 1.00 0.00 H new ATOM 1250 N GLY A 437 22.952 1.375 22.302 1.00 0.00 N ATOM 1251 CA GLY A 437 22.637 2.099 23.520 1.00 0.00 C ATOM 1252 C GLY A 437 21.173 1.988 23.897 1.00 0.00 C ATOM 1253 O GLY A 437 20.827 1.990 25.079 1.00 0.00 O ATOM 0 H GLY A 437 23.111 1.962 21.483 1.00 0.00 H new ATOM 0 HA2 GLY A 437 23.249 1.715 24.336 1.00 0.00 H new ATOM 0 HA3 GLY A 437 22.898 3.150 23.392 1.00 0.00 H new ATOM 1257 N HIS A 438 20.309 1.893 22.891 1.00 0.00 N ATOM 1258 CA HIS A 438 18.874 1.783 23.123 1.00 0.00 C ATOM 1259 C HIS A 438 18.523 0.423 23.720 1.00 0.00 C ATOM 1260 O HIS A 438 17.822 0.340 24.729 1.00 0.00 O ATOM 1261 CB HIS A 438 18.107 1.992 21.817 1.00 0.00 C ATOM 1262 CG HIS A 438 16.656 1.630 21.909 1.00 0.00 C ATOM 1263 ND1 HIS A 438 15.656 2.565 22.068 1.00 0.00 N ATOM 1264 CD2 HIS A 438 16.040 0.425 21.863 1.00 0.00 C ATOM 1265 CE1 HIS A 438 14.487 1.952 22.117 1.00 0.00 C ATOM 1266 NE2 HIS A 438 14.692 0.653 21.994 1.00 0.00 N ATOM 0 H HIS A 438 20.578 1.890 21.907 1.00 0.00 H new ATOM 0 HA HIS A 438 18.586 2.558 23.833 1.00 0.00 H new ATOM 0 HB2 HIS A 438 18.194 3.036 21.517 1.00 0.00 H new ATOM 0 HB3 HIS A 438 18.573 1.396 21.032 1.00 0.00 H new ATOM 0 HD1 HIS A 438 15.797 3.573 22.137 1.00 0.00 H new ATOM 0 HD2 HIS A 438 16.519 -0.536 21.745 1.00 0.00 H new ATOM 0 HE1 HIS A 438 13.527 2.431 22.237 1.00 0.00 H new ATOM 1274 N ILE A 439 19.015 -0.639 23.091 1.00 0.00 N ATOM 1275 CA ILE A 439 18.754 -1.994 23.561 1.00 0.00 C ATOM 1276 C ILE A 439 19.090 -2.136 25.041 1.00 0.00 C ATOM 1277 O ILE A 439 18.441 -2.890 25.767 1.00 0.00 O ATOM 1278 CB ILE A 439 19.560 -3.033 22.760 1.00 0.00 C ATOM 1279 CG1 ILE A 439 19.214 -2.943 21.272 1.00 0.00 C ATOM 1280 CG2 ILE A 439 19.292 -4.434 23.288 1.00 0.00 C ATOM 1281 CD1 ILE A 439 20.257 -3.565 20.370 1.00 0.00 C ATOM 0 H ILE A 439 19.597 -0.587 22.255 1.00 0.00 H new ATOM 0 HA ILE A 439 17.690 -2.180 23.413 1.00 0.00 H new ATOM 0 HB ILE A 439 20.622 -2.818 22.880 1.00 0.00 H new ATOM 0 HG12 ILE A 439 18.257 -3.435 21.100 1.00 0.00 H new ATOM 0 HG13 ILE A 439 19.088 -1.895 20.999 1.00 0.00 H new ATOM 0 HG21 ILE A 439 19.869 -5.157 22.711 1.00 0.00 H new ATOM 0 HG22 ILE A 439 19.585 -4.490 24.337 1.00 0.00 H new ATOM 0 HG23 ILE A 439 18.230 -4.661 23.195 1.00 0.00 H new ATOM 0 HD11 ILE A 439 19.946 -3.464 19.330 1.00 0.00 H new ATOM 0 HD12 ILE A 439 21.211 -3.058 20.514 1.00 0.00 H new ATOM 0 HD13 ILE A 439 20.367 -4.621 20.615 1.00 0.00 H new ATOM 1293 N LYS A 440 20.108 -1.406 25.484 1.00 0.00 N ATOM 1294 CA LYS A 440 20.530 -1.448 26.879 1.00 0.00 C ATOM 1295 C LYS A 440 19.819 -0.372 27.695 1.00 0.00 C ATOM 1296 O LYS A 440 19.668 -0.502 28.910 1.00 0.00 O ATOM 1297 CB LYS A 440 22.046 -1.261 26.980 1.00 0.00 C ATOM 1298 CG LYS A 440 22.791 -2.531 27.353 1.00 0.00 C ATOM 1299 CD LYS A 440 24.097 -2.223 28.065 1.00 0.00 C ATOM 1300 CE LYS A 440 25.158 -3.269 27.761 1.00 0.00 C ATOM 1301 NZ LYS A 440 25.945 -3.629 28.973 1.00 0.00 N ATOM 0 H LYS A 440 20.656 -0.778 24.897 1.00 0.00 H new ATOM 0 HA LYS A 440 20.262 -2.424 27.285 1.00 0.00 H new ATOM 0 HB2 LYS A 440 22.423 -0.896 26.025 1.00 0.00 H new ATOM 0 HB3 LYS A 440 22.260 -0.492 27.723 1.00 0.00 H new ATOM 0 HG2 LYS A 440 22.162 -3.147 27.995 1.00 0.00 H new ATOM 0 HG3 LYS A 440 22.994 -3.112 26.453 1.00 0.00 H new ATOM 0 HD2 LYS A 440 24.456 -1.240 27.760 1.00 0.00 H new ATOM 0 HD3 LYS A 440 23.925 -2.180 29.140 1.00 0.00 H new ATOM 0 HE2 LYS A 440 24.682 -4.163 27.358 1.00 0.00 H new ATOM 0 HE3 LYS A 440 25.830 -2.891 26.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 26.658 -4.344 28.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 26.420 -2.781 29.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 25.308 -4.013 29.699 1.00 0.00 H new ATOM 1315 N GLN A 441 19.384 0.686 27.019 1.00 0.00 N ATOM 1316 CA GLN A 441 18.689 1.782 27.683 1.00 0.00 C ATOM 1317 C GLN A 441 17.254 1.391 28.022 1.00 0.00 C ATOM 1318 O GLN A 441 16.893 1.270 29.192 1.00 0.00 O ATOM 1319 CB GLN A 441 18.694 3.029 26.796 1.00 0.00 C ATOM 1320 CG GLN A 441 17.981 4.220 27.416 1.00 0.00 C ATOM 1321 CD GLN A 441 17.744 5.340 26.422 1.00 0.00 C ATOM 1322 OE1 GLN A 441 18.627 6.160 26.172 1.00 0.00 O ATOM 1323 NE2 GLN A 441 16.546 5.380 25.850 1.00 0.00 N ATOM 0 H GLN A 441 19.500 0.807 26.013 1.00 0.00 H new ATOM 0 HA GLN A 441 19.215 2.003 28.612 1.00 0.00 H new ATOM 0 HB2 GLN A 441 19.726 3.306 26.579 1.00 0.00 H new ATOM 0 HB3 GLN A 441 18.222 2.789 25.843 1.00 0.00 H new ATOM 0 HG2 GLN A 441 17.025 3.894 27.825 1.00 0.00 H new ATOM 0 HG3 GLN A 441 18.572 4.599 28.250 1.00 0.00 H new ATOM 0 HE21 GLN A 441 15.844 4.679 26.087 1.00 0.00 H new ATOM 0 HE22 GLN A 441 16.328 6.111 25.173 1.00 0.00 H new ATOM 1332 N VAL A 442 16.440 1.196 26.989 1.00 0.00 N ATOM 1333 CA VAL A 442 15.044 0.818 27.178 1.00 0.00 C ATOM 1334 C VAL A 442 14.919 -0.657 27.543 1.00 0.00 C ATOM 1335 O VAL A 442 14.440 -1.001 28.624 1.00 0.00 O ATOM 1336 CB VAL A 442 14.212 1.094 25.911 1.00 0.00 C ATOM 1337 CG1 VAL A 442 12.738 0.824 26.171 1.00 0.00 C ATOM 1338 CG2 VAL A 442 14.424 2.524 25.436 1.00 0.00 C ATOM 0 H VAL A 442 16.723 1.293 26.014 1.00 0.00 H new ATOM 0 HA VAL A 442 14.659 1.426 27.997 1.00 0.00 H new ATOM 0 HB VAL A 442 14.547 0.420 25.123 1.00 0.00 H new ATOM 0 HG11 VAL A 442 12.166 1.024 25.265 1.00 0.00 H new ATOM 0 HG12 VAL A 442 12.605 -0.218 26.461 1.00 0.00 H new ATOM 0 HG13 VAL A 442 12.385 1.472 26.973 1.00 0.00 H new ATOM 0 HG21 VAL A 442 13.829 2.702 24.540 1.00 0.00 H new ATOM 0 HG22 VAL A 442 14.117 3.217 26.219 1.00 0.00 H new ATOM 0 HG23 VAL A 442 15.479 2.679 25.208 1.00 0.00 H new ATOM 1348 N HIS A 443 15.353 -1.525 26.634 1.00 0.00 N ATOM 1349 CA HIS A 443 15.290 -2.964 26.861 1.00 0.00 C ATOM 1350 C HIS A 443 16.481 -3.436 27.690 1.00 0.00 C ATOM 1351 O HIS A 443 17.234 -2.626 28.230 1.00 0.00 O ATOM 1352 CB HIS A 443 15.254 -3.711 25.527 1.00 0.00 C ATOM 1353 CG HIS A 443 14.286 -3.131 24.542 1.00 0.00 C ATOM 1354 ND1 HIS A 443 12.922 -3.118 24.745 1.00 0.00 N ATOM 1355 CD2 HIS A 443 14.492 -2.540 23.342 1.00 0.00 C ATOM 1356 CE1 HIS A 443 12.331 -2.546 23.712 1.00 0.00 C ATOM 1357 NE2 HIS A 443 13.261 -2.185 22.847 1.00 0.00 N ATOM 0 H HIS A 443 15.752 -1.257 25.734 1.00 0.00 H new ATOM 0 HA HIS A 443 14.376 -3.180 27.415 1.00 0.00 H new ATOM 0 HB2 HIS A 443 16.252 -3.705 25.090 1.00 0.00 H new ATOM 0 HB3 HIS A 443 14.993 -4.753 25.710 1.00 0.00 H new ATOM 0 HD1 HIS A 443 12.444 -3.492 25.565 1.00 0.00 H new ATOM 0 HD2 HIS A 443 15.446 -2.378 22.863 1.00 0.00 H new ATOM 0 HE1 HIS A 443 11.268 -2.398 23.595 1.00 0.00 H new