USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 415 SER OG : rot -81:sc= 0.808 USER MOD Set 1.2: A 436 LYS NZ :NH3+ -166:sc= 1.36 (180deg=0.0199) USER MOD Set 2.1: A 374 TYR OH : rot 171:sc= 0.00483 USER MOD Set 2.2: A 384 GLN : amide:sc= -0.524 K(o=-0.52,f=0.53) USER MOD Set 3.1: A 381 ASN : amide:sc= 0.699 K(o=-0.57,f=-3.1!) USER MOD Set 3.2: A 391 ASN : amide:sc= -1.27! K(o=-0.57!,f=-3.1) USER MOD Set 4.1: A 365 THR OG1 : rot 17:sc= -2.63! USER MOD Set 4.2: A 443 MET CE :methyl 172:sc= -1.52 (180deg=-1.89) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 SER OG : rot -24:sc= 0.192 USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 395 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.034) USER MOD Single : A 398 ASN : amide:sc= -0.639 K(o=-0.64,f=-3.1!) USER MOD Single : A 401 LYS NZ :NH3+ 173:sc= 2.21 (180deg=1.96) USER MOD Single : A 402 TYR OH : rot 180:sc= -0.403 USER MOD Single : A 404 ASN : amide:sc= -0.451 X(o=-0.45,f=-0.037) USER MOD Single : A 406 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.55) USER MOD Single : A 407 SER OG : rot 180:sc= 0.0363 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 422 CYS SG : rot 180:sc= -0.03 USER MOD Single : A 426 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.84) USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= -0.416 K(o=-0.42,f=-4.8!) USER MOD Single : A 439 TYR OH : rot 180:sc= 0 USER MOD Single : A 442 LYS NZ :NH3+ -139:sc= 1.13 (180deg=0.937) USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N THR A 365 13.620 17.860 -2.603 1.00 55.22 N ATOM 139 CA THR A 365 14.434 18.883 -3.187 1.00 55.12 C ATOM 140 C THR A 365 14.155 19.019 -4.661 1.00 23.51 C ATOM 141 O THR A 365 13.900 18.023 -5.347 1.00 32.24 O ATOM 142 CB THR A 365 15.901 18.571 -2.986 1.00 65.42 C ATOM 143 OG1 THR A 365 16.067 17.990 -1.696 1.00 34.02 O ATOM 144 CG2 THR A 365 16.670 19.858 -3.006 1.00 10.11 C ATOM 0 HA THR A 365 14.190 19.823 -2.692 1.00 55.12 H new ATOM 0 HB THR A 365 16.251 17.896 -3.767 1.00 65.42 H new ATOM 0 HG1 THR A 365 15.198 17.685 -1.361 1.00 34.02 H new ATOM 0 HG21 THR A 365 17.730 19.651 -2.862 1.00 10.11 H new ATOM 0 HG22 THR A 365 16.524 20.354 -3.966 1.00 10.11 H new ATOM 0 HG23 THR A 365 16.315 20.506 -2.205 1.00 10.11 H new ATOM 152 N LYS A 366 14.192 20.237 -5.143 1.00 35.53 N ATOM 153 CA LYS A 366 14.010 20.507 -6.519 1.00 62.33 C ATOM 154 C LYS A 366 14.914 21.664 -6.897 1.00 13.22 C ATOM 155 O LYS A 366 15.088 22.589 -6.107 1.00 64.11 O ATOM 156 CB LYS A 366 12.558 20.853 -6.796 1.00 52.31 C ATOM 157 CG LYS A 366 12.276 21.068 -8.257 1.00 34.24 C ATOM 158 CD LYS A 366 10.827 21.428 -8.520 1.00 41.54 C ATOM 159 CE LYS A 366 10.442 22.745 -7.868 1.00 22.22 C ATOM 160 NZ LYS A 366 9.038 23.106 -8.134 1.00 51.34 N ATOM 0 H LYS A 366 14.352 21.067 -4.572 1.00 35.53 H new ATOM 0 HA LYS A 366 14.264 19.629 -7.113 1.00 62.33 H new ATOM 0 HB2 LYS A 366 11.921 20.051 -6.422 1.00 52.31 H new ATOM 0 HB3 LYS A 366 12.293 21.754 -6.243 1.00 52.31 H new ATOM 0 HG2 LYS A 366 12.919 21.863 -8.635 1.00 34.24 H new ATOM 0 HG3 LYS A 366 12.529 20.163 -8.810 1.00 34.24 H new ATOM 0 HD2 LYS A 366 10.659 21.492 -9.595 1.00 41.54 H new ATOM 0 HD3 LYS A 366 10.182 20.634 -8.143 1.00 41.54 H new ATOM 0 HE2 LYS A 366 10.600 22.676 -6.792 1.00 22.22 H new ATOM 0 HE3 LYS A 366 11.095 23.536 -8.236 1.00 22.22 H new ATOM 0 HZ1 LYS A 366 8.818 24.011 -7.671 1.00 51.34 H new ATOM 0 HZ2 LYS A 366 8.891 23.198 -9.160 1.00 51.34 H new ATOM 0 HZ3 LYS A 366 8.412 22.365 -7.760 1.00 51.34 H new ATOM 174 N ARG A 367 15.512 21.602 -8.063 1.00 54.11 N ATOM 175 CA ARG A 367 16.395 22.659 -8.526 1.00 4.14 C ATOM 176 C ARG A 367 16.453 22.586 -10.041 1.00 33.21 C ATOM 177 O ARG A 367 16.281 21.521 -10.602 1.00 33.02 O ATOM 178 CB ARG A 367 17.810 22.422 -7.990 1.00 4.12 C ATOM 179 CG ARG A 367 18.739 23.612 -8.097 1.00 44.43 C ATOM 180 CD ARG A 367 18.399 24.638 -7.042 1.00 70.10 C ATOM 181 NE ARG A 367 19.160 25.883 -7.212 1.00 14.10 N ATOM 182 CZ ARG A 367 19.574 26.689 -6.227 1.00 64.25 C ATOM 183 NH1 ARG A 367 19.401 26.353 -4.954 1.00 32.23 N ATOM 184 NH2 ARG A 367 20.176 27.830 -6.527 1.00 4.33 N ATOM 0 H ARG A 367 15.405 20.826 -8.717 1.00 54.11 H new ATOM 0 HA ARG A 367 16.027 23.626 -8.183 1.00 4.14 H new ATOM 0 HB2 ARG A 367 17.742 22.126 -6.943 1.00 4.12 H new ATOM 0 HB3 ARG A 367 18.252 21.585 -8.530 1.00 4.12 H new ATOM 0 HG2 ARG A 367 19.773 23.287 -7.978 1.00 44.43 H new ATOM 0 HG3 ARG A 367 18.657 24.058 -9.088 1.00 44.43 H new ATOM 0 HD2 ARG A 367 17.332 24.858 -7.082 1.00 70.10 H new ATOM 0 HD3 ARG A 367 18.602 24.222 -6.055 1.00 70.10 H new ATOM 0 HE ARG A 367 19.394 26.158 -8.166 1.00 14.10 H new ATOM 0 HH11 ARG A 367 18.948 25.471 -4.716 1.00 32.23 H new ATOM 0 HH12 ARG A 367 19.722 26.977 -4.214 1.00 32.23 H new ATOM 0 HH21 ARG A 367 20.321 28.089 -7.503 1.00 4.33 H new ATOM 0 HH22 ARG A 367 20.494 28.450 -5.782 1.00 4.33 H new ATOM 198 N GLU A 368 16.686 23.683 -10.697 1.00 21.45 N ATOM 199 CA GLU A 368 16.821 23.670 -12.122 1.00 35.42 C ATOM 200 C GLU A 368 18.274 23.793 -12.577 1.00 72.32 C ATOM 201 O GLU A 368 18.931 24.796 -12.359 1.00 74.33 O ATOM 202 CB GLU A 368 15.857 24.661 -12.822 1.00 74.03 C ATOM 203 CG GLU A 368 15.656 26.034 -12.148 1.00 11.35 C ATOM 204 CD GLU A 368 16.921 26.814 -11.907 1.00 10.22 C ATOM 205 OE1 GLU A 368 17.484 27.370 -12.860 1.00 31.21 O ATOM 206 OE2 GLU A 368 17.359 26.891 -10.741 1.00 63.32 O ATOM 0 H GLU A 368 16.787 24.602 -10.266 1.00 21.45 H new ATOM 0 HA GLU A 368 16.503 22.682 -12.455 1.00 35.42 H new ATOM 0 HB2 GLU A 368 16.222 24.831 -13.835 1.00 74.03 H new ATOM 0 HB3 GLU A 368 14.882 24.181 -12.911 1.00 74.03 H new ATOM 0 HG2 GLU A 368 14.990 26.633 -12.769 1.00 11.35 H new ATOM 0 HG3 GLU A 368 15.152 25.883 -11.193 1.00 11.35 H new ATOM 213 N ILE A 369 18.788 22.744 -13.161 1.00 30.24 N ATOM 214 CA ILE A 369 20.143 22.770 -13.667 1.00 63.05 C ATOM 215 C ILE A 369 20.131 22.753 -15.194 1.00 10.10 C ATOM 216 O ILE A 369 19.637 21.813 -15.807 1.00 53.44 O ATOM 217 CB ILE A 369 21.053 21.600 -13.107 1.00 44.24 C ATOM 218 CG1 ILE A 369 21.320 21.717 -11.579 1.00 21.43 C ATOM 219 CG2 ILE A 369 22.372 21.499 -13.861 1.00 13.03 C ATOM 220 CD1 ILE A 369 20.126 21.459 -10.687 1.00 21.11 C ATOM 0 H ILE A 369 18.295 21.862 -13.300 1.00 30.24 H new ATOM 0 HA ILE A 369 20.590 23.697 -13.309 1.00 63.05 H new ATOM 0 HB ILE A 369 20.485 20.684 -13.271 1.00 44.24 H new ATOM 0 HG12 ILE A 369 22.110 21.015 -11.311 1.00 21.43 H new ATOM 0 HG13 ILE A 369 21.698 22.718 -11.370 1.00 21.43 H new ATOM 0 HG21 ILE A 369 22.967 20.685 -13.446 1.00 13.03 H new ATOM 0 HG22 ILE A 369 22.175 21.304 -14.915 1.00 13.03 H new ATOM 0 HG23 ILE A 369 22.920 22.436 -13.762 1.00 13.03 H new ATOM 0 HD11 ILE A 369 20.422 21.566 -9.643 1.00 21.11 H new ATOM 0 HD12 ILE A 369 19.338 22.177 -10.917 1.00 21.11 H new ATOM 0 HD13 ILE A 369 19.756 20.448 -10.857 1.00 21.11 H new ATOM 232 N GLY A 370 20.639 23.819 -15.789 1.00 71.01 N ATOM 233 CA GLY A 370 20.757 23.930 -17.240 1.00 14.55 C ATOM 234 C GLY A 370 19.427 23.889 -17.978 1.00 63.41 C ATOM 235 O GLY A 370 19.371 23.481 -19.128 1.00 11.43 O ATOM 0 H GLY A 370 20.983 24.635 -15.282 1.00 71.01 H new ATOM 0 HA2 GLY A 370 21.265 24.863 -17.482 1.00 14.55 H new ATOM 0 HA3 GLY A 370 21.388 23.120 -17.605 1.00 14.55 H new ATOM 239 N GLY A 371 18.372 24.303 -17.317 1.00 3.33 N ATOM 240 CA GLY A 371 17.057 24.340 -17.931 1.00 21.13 C ATOM 241 C GLY A 371 16.222 23.123 -17.600 1.00 45.01 C ATOM 242 O GLY A 371 14.994 23.134 -17.753 1.00 14.54 O ATOM 0 H GLY A 371 18.395 24.622 -16.348 1.00 3.33 H new ATOM 0 HA2 GLY A 371 16.532 25.236 -17.601 1.00 21.13 H new ATOM 0 HA3 GLY A 371 17.168 24.416 -19.013 1.00 21.13 H new ATOM 246 N TYR A 372 16.860 22.093 -17.119 1.00 30.44 N ATOM 247 CA TYR A 372 16.170 20.891 -16.751 1.00 73.23 C ATOM 248 C TYR A 372 16.041 20.759 -15.252 1.00 45.22 C ATOM 249 O TYR A 372 17.006 20.934 -14.498 1.00 62.13 O ATOM 250 CB TYR A 372 16.694 19.630 -17.486 1.00 52.05 C ATOM 251 CG TYR A 372 18.191 19.554 -17.641 1.00 54.31 C ATOM 252 CD1 TYR A 372 18.818 20.155 -18.725 1.00 54.21 C ATOM 253 CD2 TYR A 372 18.972 18.897 -16.731 1.00 3.31 C ATOM 254 CE1 TYR A 372 20.182 20.100 -18.883 1.00 2.24 C ATOM 255 CE2 TYR A 372 20.341 18.835 -16.882 1.00 1.21 C ATOM 256 CZ TYR A 372 20.938 19.439 -17.957 1.00 4.42 C ATOM 257 OH TYR A 372 22.307 19.379 -18.103 1.00 43.03 O ATOM 0 H TYR A 372 17.869 22.064 -16.972 1.00 30.44 H new ATOM 0 HA TYR A 372 15.147 20.978 -17.116 1.00 73.23 H new ATOM 0 HB2 TYR A 372 16.355 18.747 -16.945 1.00 52.05 H new ATOM 0 HB3 TYR A 372 16.240 19.591 -18.476 1.00 52.05 H new ATOM 0 HD1 TYR A 372 18.221 20.676 -19.459 1.00 54.21 H new ATOM 0 HD2 TYR A 372 18.509 18.419 -15.880 1.00 3.31 H new ATOM 0 HE1 TYR A 372 20.652 20.575 -19.731 1.00 2.24 H new ATOM 0 HE2 TYR A 372 20.942 18.311 -16.154 1.00 1.21 H new ATOM 0 HH TYR A 372 22.694 18.873 -17.358 1.00 43.03 H new ATOM 267 N THR A 373 14.851 20.463 -14.834 1.00 1.02 N ATOM 268 CA THR A 373 14.483 20.510 -13.451 1.00 4.33 C ATOM 269 C THR A 373 14.758 19.196 -12.743 1.00 23.32 C ATOM 270 O THR A 373 14.146 18.166 -13.042 1.00 25.43 O ATOM 271 CB THR A 373 12.992 20.898 -13.309 1.00 13.41 C ATOM 272 OG1 THR A 373 12.761 22.131 -14.016 1.00 62.51 O ATOM 273 CG2 THR A 373 12.616 21.093 -11.849 1.00 34.55 C ATOM 0 H THR A 373 14.093 20.177 -15.454 1.00 1.02 H new ATOM 0 HA THR A 373 15.100 21.271 -12.972 1.00 4.33 H new ATOM 0 HB THR A 373 12.383 20.094 -13.723 1.00 13.41 H new ATOM 0 HG1 THR A 373 11.818 22.384 -13.933 1.00 62.51 H new ATOM 0 HG21 THR A 373 11.563 21.365 -11.778 1.00 34.55 H new ATOM 0 HG22 THR A 373 12.789 20.166 -11.302 1.00 34.55 H new ATOM 0 HG23 THR A 373 13.226 21.888 -11.419 1.00 34.55 H new ATOM 281 N TYR A 374 15.665 19.252 -11.820 1.00 21.41 N ATOM 282 CA TYR A 374 16.047 18.131 -11.028 1.00 70.33 C ATOM 283 C TYR A 374 15.156 18.017 -9.827 1.00 10.55 C ATOM 284 O TYR A 374 14.992 18.973 -9.069 1.00 22.43 O ATOM 285 CB TYR A 374 17.506 18.247 -10.590 1.00 21.52 C ATOM 286 CG TYR A 374 18.517 17.912 -11.650 1.00 52.33 C ATOM 287 CD1 TYR A 374 18.821 18.791 -12.665 1.00 72.41 C ATOM 288 CD2 TYR A 374 19.189 16.700 -11.614 1.00 3.41 C ATOM 289 CE1 TYR A 374 19.765 18.473 -13.613 1.00 2.33 C ATOM 290 CE2 TYR A 374 20.130 16.380 -12.563 1.00 41.10 C ATOM 291 CZ TYR A 374 20.415 17.265 -13.557 1.00 50.32 C ATOM 292 OH TYR A 374 21.369 16.946 -14.504 1.00 14.43 O ATOM 0 H TYR A 374 16.174 20.106 -11.591 1.00 21.41 H new ATOM 0 HA TYR A 374 15.941 17.232 -11.635 1.00 70.33 H new ATOM 0 HB2 TYR A 374 17.686 19.266 -10.246 1.00 21.52 H new ATOM 0 HB3 TYR A 374 17.666 17.589 -9.736 1.00 21.52 H new ATOM 0 HD1 TYR A 374 18.312 19.742 -12.717 1.00 72.41 H new ATOM 0 HD2 TYR A 374 18.969 15.995 -10.826 1.00 3.41 H new ATOM 0 HE1 TYR A 374 19.995 19.174 -14.402 1.00 2.33 H new ATOM 0 HE2 TYR A 374 20.641 15.430 -12.520 1.00 41.10 H new ATOM 0 HH TYR A 374 21.829 16.122 -14.240 1.00 14.43 H new ATOM 302 N LYS A 375 14.576 16.871 -9.673 1.00 30.54 N ATOM 303 CA LYS A 375 13.720 16.596 -8.555 1.00 34.21 C ATOM 304 C LYS A 375 14.313 15.442 -7.795 1.00 22.44 C ATOM 305 O LYS A 375 14.535 14.378 -8.372 1.00 64.20 O ATOM 306 CB LYS A 375 12.333 16.179 -9.058 1.00 20.44 C ATOM 307 CG LYS A 375 11.308 15.910 -7.953 1.00 52.13 C ATOM 308 CD LYS A 375 10.025 15.278 -8.502 1.00 53.32 C ATOM 309 CE LYS A 375 9.398 16.118 -9.599 1.00 22.31 C ATOM 310 NZ LYS A 375 8.149 15.520 -10.109 1.00 31.04 N ATOM 0 H LYS A 375 14.681 16.091 -10.322 1.00 30.54 H new ATOM 0 HA LYS A 375 13.630 17.482 -7.926 1.00 34.21 H new ATOM 0 HB2 LYS A 375 11.947 16.962 -9.710 1.00 20.44 H new ATOM 0 HB3 LYS A 375 12.437 15.280 -9.666 1.00 20.44 H new ATOM 0 HG2 LYS A 375 11.746 15.249 -7.205 1.00 52.13 H new ATOM 0 HG3 LYS A 375 11.065 16.845 -7.449 1.00 52.13 H new ATOM 0 HD2 LYS A 375 10.248 14.284 -8.890 1.00 53.32 H new ATOM 0 HD3 LYS A 375 9.309 15.150 -7.690 1.00 53.32 H new ATOM 0 HE2 LYS A 375 9.191 17.118 -9.217 1.00 22.31 H new ATOM 0 HE3 LYS A 375 10.107 16.231 -10.419 1.00 22.31 H new ATOM 0 HZ1 LYS A 375 7.754 16.126 -10.856 1.00 31.04 H new ATOM 0 HZ2 LYS A 375 8.349 14.576 -10.498 1.00 31.04 H new ATOM 0 HZ3 LYS A 375 7.462 15.436 -9.333 1.00 31.04 H new ATOM 324 N VAL A 376 14.552 15.623 -6.529 1.00 11.21 N ATOM 325 CA VAL A 376 15.063 14.558 -5.725 1.00 10.42 C ATOM 326 C VAL A 376 13.940 13.995 -4.868 1.00 25.42 C ATOM 327 O VAL A 376 13.491 14.634 -3.908 1.00 3.12 O ATOM 328 CB VAL A 376 16.238 15.034 -4.816 1.00 62.42 C ATOM 329 CG1 VAL A 376 16.791 13.885 -3.981 1.00 23.35 C ATOM 330 CG2 VAL A 376 17.348 15.658 -5.652 1.00 0.44 C ATOM 0 H VAL A 376 14.400 16.501 -6.033 1.00 11.21 H new ATOM 0 HA VAL A 376 15.452 13.785 -6.388 1.00 10.42 H new ATOM 0 HB VAL A 376 15.844 15.790 -4.137 1.00 62.42 H new ATOM 0 HG11 VAL A 376 17.608 14.248 -3.358 1.00 23.35 H new ATOM 0 HG12 VAL A 376 16.001 13.484 -3.346 1.00 23.35 H new ATOM 0 HG13 VAL A 376 17.159 13.100 -4.641 1.00 23.35 H new ATOM 0 HG21 VAL A 376 18.157 15.983 -4.998 1.00 0.44 H new ATOM 0 HG22 VAL A 376 17.728 14.922 -6.361 1.00 0.44 H new ATOM 0 HG23 VAL A 376 16.955 16.516 -6.196 1.00 0.44 H new ATOM 340 N VAL A 377 13.445 12.816 -5.256 1.00 63.13 N ATOM 341 CA VAL A 377 12.412 12.135 -4.500 1.00 62.44 C ATOM 342 C VAL A 377 13.103 11.363 -3.365 1.00 30.24 C ATOM 343 O VAL A 377 12.471 10.910 -2.400 1.00 22.05 O ATOM 344 CB VAL A 377 11.592 11.182 -5.411 1.00 23.42 C ATOM 345 CG1 VAL A 377 10.433 10.563 -4.655 1.00 72.21 C ATOM 346 CG2 VAL A 377 11.079 11.920 -6.637 1.00 12.03 C ATOM 0 H VAL A 377 13.750 12.319 -6.093 1.00 63.13 H new ATOM 0 HA VAL A 377 11.705 12.856 -4.088 1.00 62.44 H new ATOM 0 HB VAL A 377 12.257 10.381 -5.734 1.00 23.42 H new ATOM 0 HG11 VAL A 377 9.878 9.901 -5.319 1.00 72.21 H new ATOM 0 HG12 VAL A 377 10.814 9.992 -3.809 1.00 72.21 H new ATOM 0 HG13 VAL A 377 9.773 11.351 -4.293 1.00 72.21 H new ATOM 0 HG21 VAL A 377 10.507 11.234 -7.262 1.00 12.03 H new ATOM 0 HG22 VAL A 377 10.439 12.745 -6.324 1.00 12.03 H new ATOM 0 HG23 VAL A 377 11.923 12.311 -7.206 1.00 12.03 H new ATOM 356 N PHE A 378 14.422 11.219 -3.539 1.00 44.03 N ATOM 357 CA PHE A 378 15.374 10.713 -2.542 1.00 61.34 C ATOM 358 C PHE A 378 15.296 9.189 -2.362 1.00 32.33 C ATOM 359 O PHE A 378 16.250 8.483 -2.622 1.00 62.12 O ATOM 360 CB PHE A 378 15.189 11.467 -1.207 1.00 41.30 C ATOM 361 CG PHE A 378 16.386 11.446 -0.293 1.00 44.41 C ATOM 362 CD1 PHE A 378 17.509 12.199 -0.606 1.00 21.51 C ATOM 363 CD2 PHE A 378 16.390 10.700 0.870 1.00 61.41 C ATOM 364 CE1 PHE A 378 18.609 12.208 0.219 1.00 10.32 C ATOM 365 CE2 PHE A 378 17.488 10.706 1.708 1.00 30.23 C ATOM 366 CZ PHE A 378 18.600 11.462 1.380 1.00 12.12 C ATOM 0 H PHE A 378 14.876 11.463 -4.419 1.00 44.03 H new ATOM 0 HA PHE A 378 16.380 10.908 -2.914 1.00 61.34 H new ATOM 0 HB2 PHE A 378 14.935 12.504 -1.425 1.00 41.30 H new ATOM 0 HB3 PHE A 378 14.339 11.036 -0.678 1.00 41.30 H new ATOM 0 HD1 PHE A 378 17.519 12.787 -1.512 1.00 21.51 H new ATOM 0 HD2 PHE A 378 15.525 10.106 1.127 1.00 61.41 H new ATOM 0 HE1 PHE A 378 19.477 12.797 -0.041 1.00 10.32 H new ATOM 0 HE2 PHE A 378 17.479 10.122 2.617 1.00 30.23 H new ATOM 0 HZ PHE A 378 19.461 11.468 2.033 1.00 12.12 H new ATOM 376 N TYR A 379 14.160 8.698 -1.948 1.00 55.41 N ATOM 377 CA TYR A 379 14.000 7.274 -1.699 1.00 72.52 C ATOM 378 C TYR A 379 13.539 6.566 -2.956 1.00 23.05 C ATOM 379 O TYR A 379 13.570 5.347 -3.044 1.00 33.15 O ATOM 380 CB TYR A 379 13.021 7.038 -0.556 1.00 23.32 C ATOM 381 CG TYR A 379 13.436 7.705 0.737 1.00 23.12 C ATOM 382 CD1 TYR A 379 13.040 9.008 1.024 1.00 23.45 C ATOM 383 CD2 TYR A 379 14.224 7.042 1.665 1.00 33.25 C ATOM 384 CE1 TYR A 379 13.416 9.625 2.196 1.00 62.12 C ATOM 385 CE2 TYR A 379 14.605 7.652 2.841 1.00 51.54 C ATOM 386 CZ TYR A 379 14.198 8.944 3.101 1.00 70.54 C ATOM 387 OH TYR A 379 14.574 9.558 4.274 1.00 11.10 O ATOM 0 H TYR A 379 13.325 9.256 -1.773 1.00 55.41 H new ATOM 0 HA TYR A 379 14.967 6.862 -1.409 1.00 72.52 H new ATOM 0 HB2 TYR A 379 12.038 7.407 -0.847 1.00 23.32 H new ATOM 0 HB3 TYR A 379 12.922 5.966 -0.388 1.00 23.32 H new ATOM 0 HD1 TYR A 379 12.427 9.545 0.315 1.00 23.45 H new ATOM 0 HD2 TYR A 379 14.545 6.031 1.463 1.00 33.25 H new ATOM 0 HE1 TYR A 379 13.099 10.636 2.404 1.00 62.12 H new ATOM 0 HE2 TYR A 379 15.218 7.122 3.554 1.00 51.54 H new ATOM 0 HH TYR A 379 15.123 8.943 4.804 1.00 11.10 H new ATOM 397 N GLU A 380 13.089 7.346 -3.911 1.00 10.34 N ATOM 398 CA GLU A 380 12.677 6.828 -5.200 1.00 70.41 C ATOM 399 C GLU A 380 13.745 6.993 -6.244 1.00 72.12 C ATOM 400 O GLU A 380 14.319 6.015 -6.723 1.00 14.44 O ATOM 401 CB GLU A 380 11.412 7.516 -5.680 1.00 24.04 C ATOM 402 CG GLU A 380 10.156 7.065 -5.008 1.00 3.13 C ATOM 403 CD GLU A 380 9.774 5.654 -5.380 1.00 34.43 C ATOM 404 OE1 GLU A 380 10.220 4.704 -4.722 1.00 10.04 O ATOM 405 OE2 GLU A 380 8.999 5.486 -6.347 1.00 72.22 O ATOM 0 H GLU A 380 12.997 8.358 -3.819 1.00 10.34 H new ATOM 0 HA GLU A 380 12.490 5.763 -5.060 1.00 70.41 H new ATOM 0 HB2 GLU A 380 11.521 8.590 -5.530 1.00 24.04 H new ATOM 0 HB3 GLU A 380 11.312 7.352 -6.753 1.00 24.04 H new ATOM 0 HG2 GLU A 380 10.283 7.130 -3.927 1.00 3.13 H new ATOM 0 HG3 GLU A 380 9.343 7.740 -5.275 1.00 3.13 H new ATOM 412 N ASN A 381 14.001 8.238 -6.603 1.00 21.11 N ATOM 413 CA ASN A 381 14.881 8.572 -7.704 1.00 53.21 C ATOM 414 C ASN A 381 15.010 10.073 -7.870 1.00 0.31 C ATOM 415 O ASN A 381 14.492 10.851 -7.045 1.00 51.31 O ATOM 416 CB ASN A 381 14.362 7.932 -9.011 1.00 32.43 C ATOM 417 CG ASN A 381 12.887 8.132 -9.248 1.00 73.11 C ATOM 418 OD1 ASN A 381 12.301 9.119 -8.838 1.00 71.35 O ATOM 419 ND2 ASN A 381 12.275 7.166 -9.892 1.00 22.41 N ATOM 0 H ASN A 381 13.600 9.050 -6.134 1.00 21.11 H new ATOM 0 HA ASN A 381 15.870 8.174 -7.479 1.00 53.21 H new ATOM 0 HB2 ASN A 381 14.915 8.350 -9.852 1.00 32.43 H new ATOM 0 HB3 ASN A 381 14.574 6.863 -8.989 1.00 32.43 H new ATOM 0 HD21 ASN A 381 11.272 7.225 -10.066 1.00 22.41 H new ATOM 0 HD22 ASN A 381 12.803 6.357 -10.219 1.00 22.41 H new ATOM 426 N VAL A 382 15.729 10.474 -8.913 1.00 50.34 N ATOM 427 CA VAL A 382 15.923 11.866 -9.260 1.00 1.44 C ATOM 428 C VAL A 382 15.648 12.030 -10.752 1.00 41.05 C ATOM 429 O VAL A 382 16.109 11.209 -11.569 1.00 10.43 O ATOM 430 CB VAL A 382 17.377 12.350 -8.945 1.00 24.04 C ATOM 431 CG1 VAL A 382 17.558 13.826 -9.294 1.00 23.12 C ATOM 432 CG2 VAL A 382 17.725 12.112 -7.487 1.00 22.13 C ATOM 0 H VAL A 382 16.198 9.827 -9.547 1.00 50.34 H new ATOM 0 HA VAL A 382 15.240 12.471 -8.664 1.00 1.44 H new ATOM 0 HB VAL A 382 18.057 11.766 -9.565 1.00 24.04 H new ATOM 0 HG11 VAL A 382 18.579 14.132 -9.064 1.00 23.12 H new ATOM 0 HG12 VAL A 382 17.366 13.975 -10.357 1.00 23.12 H new ATOM 0 HG13 VAL A 382 16.859 14.426 -8.711 1.00 23.12 H new ATOM 0 HG21 VAL A 382 18.741 12.457 -7.294 1.00 22.13 H new ATOM 0 HG22 VAL A 382 17.029 12.661 -6.853 1.00 22.13 H new ATOM 0 HG23 VAL A 382 17.656 11.047 -7.266 1.00 22.13 H new ATOM 442 N PHE A 383 14.901 13.049 -11.108 1.00 0.30 N ATOM 443 CA PHE A 383 14.552 13.289 -12.500 1.00 60.21 C ATOM 444 C PHE A 383 15.143 14.606 -12.961 1.00 14.30 C ATOM 445 O PHE A 383 15.458 15.462 -12.148 1.00 25.03 O ATOM 446 CB PHE A 383 13.030 13.420 -12.673 1.00 15.22 C ATOM 447 CG PHE A 383 12.200 12.316 -12.096 1.00 35.41 C ATOM 448 CD1 PHE A 383 12.042 11.119 -12.762 1.00 73.35 C ATOM 449 CD2 PHE A 383 11.560 12.494 -10.885 1.00 72.34 C ATOM 450 CE1 PHE A 383 11.260 10.113 -12.225 1.00 40.44 C ATOM 451 CE2 PHE A 383 10.777 11.507 -10.347 1.00 64.33 C ATOM 452 CZ PHE A 383 10.626 10.309 -11.016 1.00 44.51 C ATOM 0 H PHE A 383 14.519 13.732 -10.454 1.00 0.30 H new ATOM 0 HA PHE A 383 14.936 12.447 -13.076 1.00 60.21 H new ATOM 0 HB2 PHE A 383 12.714 14.359 -12.219 1.00 15.22 H new ATOM 0 HB3 PHE A 383 12.812 13.491 -13.738 1.00 15.22 H new ATOM 0 HD1 PHE A 383 12.533 10.966 -13.711 1.00 73.35 H new ATOM 0 HD2 PHE A 383 11.679 13.427 -10.354 1.00 72.34 H new ATOM 0 HE1 PHE A 383 11.146 9.177 -12.751 1.00 40.44 H new ATOM 0 HE2 PHE A 383 10.279 11.666 -9.402 1.00 64.33 H new ATOM 0 HZ PHE A 383 10.013 9.527 -10.594 1.00 44.51 H new ATOM 462 N GLN A 384 15.289 14.744 -14.256 1.00 74.00 N ATOM 463 CA GLN A 384 15.608 16.000 -14.897 1.00 50.30 C ATOM 464 C GLN A 384 14.526 16.312 -15.897 1.00 45.44 C ATOM 465 O GLN A 384 14.471 15.728 -16.983 1.00 74.45 O ATOM 466 CB GLN A 384 17.003 16.033 -15.534 1.00 25.32 C ATOM 467 CG GLN A 384 17.372 14.792 -16.337 1.00 52.34 C ATOM 468 CD GLN A 384 18.717 14.888 -17.060 1.00 11.40 C ATOM 469 OE1 GLN A 384 18.911 14.283 -18.104 1.00 42.13 O ATOM 470 NE2 GLN A 384 19.642 15.642 -16.521 1.00 61.14 N ATOM 0 H GLN A 384 15.187 13.969 -14.911 1.00 74.00 H new ATOM 0 HA GLN A 384 15.644 16.773 -14.129 1.00 50.30 H new ATOM 0 HB2 GLN A 384 17.067 16.903 -16.188 1.00 25.32 H new ATOM 0 HB3 GLN A 384 17.743 16.171 -14.746 1.00 25.32 H new ATOM 0 HG2 GLN A 384 17.393 13.933 -15.667 1.00 52.34 H new ATOM 0 HG3 GLN A 384 16.590 14.603 -17.072 1.00 52.34 H new ATOM 0 HE21 GLN A 384 19.453 16.136 -15.649 1.00 61.14 H new ATOM 0 HE22 GLN A 384 20.551 15.735 -16.973 1.00 61.14 H new ATOM 479 N ASP A 385 13.643 17.193 -15.490 1.00 60.44 N ATOM 480 CA ASP A 385 12.452 17.586 -16.237 1.00 55.22 C ATOM 481 C ASP A 385 11.488 16.411 -16.307 1.00 11.30 C ATOM 482 O ASP A 385 10.634 16.259 -15.435 1.00 41.14 O ATOM 483 CB ASP A 385 12.774 18.149 -17.635 1.00 54.04 C ATOM 484 CG ASP A 385 11.546 18.669 -18.365 1.00 23.04 C ATOM 485 OD1 ASP A 385 11.175 19.831 -18.156 1.00 31.20 O ATOM 486 OD2 ASP A 385 10.949 17.922 -19.165 1.00 51.41 O ATOM 0 H ASP A 385 13.730 17.679 -14.597 1.00 60.44 H new ATOM 0 HA ASP A 385 11.977 18.407 -15.701 1.00 55.22 H new ATOM 0 HB2 ASP A 385 13.500 18.956 -17.537 1.00 54.04 H new ATOM 0 HB3 ASP A 385 13.243 17.369 -18.235 1.00 54.04 H new ATOM 491 N SER A 386 11.669 15.556 -17.287 1.00 53.41 N ATOM 492 CA SER A 386 10.860 14.366 -17.419 1.00 71.24 C ATOM 493 C SER A 386 11.772 13.144 -17.659 1.00 62.54 C ATOM 494 O SER A 386 11.313 11.988 -17.672 1.00 61.23 O ATOM 495 CB SER A 386 9.830 14.540 -18.561 1.00 61.23 C ATOM 496 OG SER A 386 8.942 13.429 -18.656 1.00 5.51 O ATOM 0 H SER A 386 12.378 15.665 -18.012 1.00 53.41 H new ATOM 0 HA SER A 386 10.302 14.200 -16.497 1.00 71.24 H new ATOM 0 HB2 SER A 386 9.254 15.450 -18.394 1.00 61.23 H new ATOM 0 HB3 SER A 386 10.356 14.665 -19.507 1.00 61.23 H new ATOM 0 HG SER A 386 9.369 12.635 -18.272 1.00 5.51 H new ATOM 502 N ILE A 387 13.064 13.400 -17.818 1.00 25.25 N ATOM 503 CA ILE A 387 14.034 12.348 -18.053 1.00 73.40 C ATOM 504 C ILE A 387 14.536 11.824 -16.715 1.00 64.34 C ATOM 505 O ILE A 387 15.072 12.572 -15.898 1.00 51.44 O ATOM 506 CB ILE A 387 15.238 12.852 -18.900 1.00 43.21 C ATOM 507 CG1 ILE A 387 14.758 13.369 -20.261 1.00 70.22 C ATOM 508 CG2 ILE A 387 16.273 11.742 -19.083 1.00 11.03 C ATOM 509 CD1 ILE A 387 15.863 13.941 -21.134 1.00 71.13 C ATOM 0 H ILE A 387 13.463 14.338 -17.787 1.00 25.25 H new ATOM 0 HA ILE A 387 13.543 11.552 -18.614 1.00 73.40 H new ATOM 0 HB ILE A 387 15.711 13.675 -18.365 1.00 43.21 H new ATOM 0 HG12 ILE A 387 14.273 12.553 -20.797 1.00 70.22 H new ATOM 0 HG13 ILE A 387 14.003 14.138 -20.099 1.00 70.22 H new ATOM 0 HG21 ILE A 387 17.106 12.116 -19.678 1.00 11.03 H new ATOM 0 HG22 ILE A 387 16.639 11.421 -18.108 1.00 11.03 H new ATOM 0 HG23 ILE A 387 15.813 10.896 -19.594 1.00 11.03 H new ATOM 0 HD11 ILE A 387 15.440 14.284 -22.078 1.00 71.13 H new ATOM 0 HD12 ILE A 387 16.334 14.780 -20.621 1.00 71.13 H new ATOM 0 HD13 ILE A 387 16.608 13.170 -21.329 1.00 71.13 H new ATOM 521 N LEU A 388 14.329 10.569 -16.492 1.00 34.23 N ATOM 522 CA LEU A 388 14.740 9.914 -15.276 1.00 62.13 C ATOM 523 C LEU A 388 16.250 9.600 -15.273 1.00 42.41 C ATOM 524 O LEU A 388 16.761 8.949 -16.184 1.00 65.33 O ATOM 525 CB LEU A 388 13.885 8.651 -15.098 1.00 3.43 C ATOM 526 CG LEU A 388 14.281 7.675 -14.007 1.00 41.34 C ATOM 527 CD1 LEU A 388 14.335 8.354 -12.652 1.00 13.22 C ATOM 528 CD2 LEU A 388 13.303 6.518 -13.978 1.00 71.44 C ATOM 0 H LEU A 388 13.862 9.951 -17.156 1.00 34.23 H new ATOM 0 HA LEU A 388 14.580 10.581 -14.429 1.00 62.13 H new ATOM 0 HB2 LEU A 388 12.859 8.966 -14.909 1.00 3.43 H new ATOM 0 HB3 LEU A 388 13.884 8.112 -16.045 1.00 3.43 H new ATOM 0 HG LEU A 388 15.280 7.299 -14.229 1.00 41.34 H new ATOM 0 HD11 LEU A 388 14.622 7.627 -11.892 1.00 13.22 H new ATOM 0 HD12 LEU A 388 15.068 9.160 -12.678 1.00 13.22 H new ATOM 0 HD13 LEU A 388 13.354 8.763 -12.411 1.00 13.22 H new ATOM 0 HD21 LEU A 388 13.590 5.818 -13.193 1.00 71.44 H new ATOM 0 HD22 LEU A 388 12.300 6.895 -13.779 1.00 71.44 H new ATOM 0 HD23 LEU A 388 13.315 6.008 -14.941 1.00 71.44 H new ATOM 540 N LEU A 389 16.955 10.088 -14.250 1.00 25.54 N ATOM 541 CA LEU A 389 18.385 9.826 -14.107 1.00 54.31 C ATOM 542 C LEU A 389 18.630 8.379 -13.737 1.00 14.31 C ATOM 543 O LEU A 389 19.086 7.602 -14.542 1.00 64.35 O ATOM 544 CB LEU A 389 19.012 10.721 -13.040 1.00 13.44 C ATOM 545 CG LEU A 389 18.934 12.219 -13.269 1.00 73.42 C ATOM 546 CD1 LEU A 389 19.585 12.946 -12.118 1.00 13.52 C ATOM 547 CD2 LEU A 389 19.611 12.590 -14.568 1.00 33.33 C ATOM 0 H LEU A 389 16.557 10.666 -13.510 1.00 25.54 H new ATOM 0 HA LEU A 389 18.848 10.043 -15.070 1.00 54.31 H new ATOM 0 HB2 LEU A 389 18.534 10.498 -12.086 1.00 13.44 H new ATOM 0 HB3 LEU A 389 20.062 10.447 -12.942 1.00 13.44 H new ATOM 0 HG LEU A 389 17.886 12.512 -13.330 1.00 73.42 H new ATOM 0 HD11 LEU A 389 19.526 14.021 -12.287 1.00 13.52 H new ATOM 0 HD12 LEU A 389 19.069 12.696 -11.191 1.00 13.52 H new ATOM 0 HD13 LEU A 389 20.630 12.647 -12.043 1.00 13.52 H new ATOM 0 HD21 LEU A 389 19.546 13.668 -14.717 1.00 33.33 H new ATOM 0 HD22 LEU A 389 20.659 12.291 -14.531 1.00 33.33 H new ATOM 0 HD23 LEU A 389 19.117 12.079 -15.395 1.00 33.33 H new ATOM 559 N GLY A 390 18.291 8.029 -12.529 1.00 53.45 N ATOM 560 CA GLY A 390 18.503 6.696 -12.048 1.00 3.24 C ATOM 561 C GLY A 390 17.481 6.366 -11.023 1.00 74.53 C ATOM 562 O GLY A 390 16.688 7.221 -10.679 1.00 14.11 O ATOM 0 H GLY A 390 17.861 8.659 -11.852 1.00 53.45 H new ATOM 0 HA2 GLY A 390 18.445 5.987 -12.874 1.00 3.24 H new ATOM 0 HA3 GLY A 390 19.502 6.608 -11.621 1.00 3.24 H new ATOM 566 N ASN A 391 17.515 5.166 -10.500 1.00 43.31 N ATOM 567 CA ASN A 391 16.516 4.730 -9.509 1.00 53.41 C ATOM 568 C ASN A 391 17.150 4.208 -8.315 1.00 50.52 C ATOM 569 O ASN A 391 18.237 3.662 -8.391 1.00 12.04 O ATOM 570 CB ASN A 391 15.545 3.688 -10.031 1.00 64.22 C ATOM 571 CG ASN A 391 14.624 4.227 -11.043 1.00 44.41 C ATOM 572 OD1 ASN A 391 13.574 4.764 -10.714 1.00 73.30 O ATOM 573 ND2 ASN A 391 14.962 4.078 -12.267 1.00 10.15 N ATOM 0 H ASN A 391 18.215 4.462 -10.732 1.00 43.31 H new ATOM 0 HA ASN A 391 15.946 5.630 -9.278 1.00 53.41 H new ATOM 0 HB2 ASN A 391 16.106 2.858 -10.461 1.00 64.22 H new ATOM 0 HB3 ASN A 391 14.968 3.285 -9.198 1.00 64.22 H new ATOM 0 HD21 ASN A 391 14.348 4.412 -13.010 1.00 10.15 H new ATOM 0 HD22 ASN A 391 15.846 3.625 -12.501 1.00 10.15 H new ATOM 580 N PHE A 392 16.469 4.341 -7.216 1.00 32.31 N ATOM 581 CA PHE A 392 17.015 3.914 -5.915 1.00 52.34 C ATOM 582 C PHE A 392 17.475 2.455 -5.970 1.00 64.23 C ATOM 583 O PHE A 392 16.667 1.530 -6.133 1.00 43.22 O ATOM 584 CB PHE A 392 15.956 4.116 -4.810 1.00 23.33 C ATOM 585 CG PHE A 392 16.326 3.561 -3.461 1.00 70.40 C ATOM 586 CD1 PHE A 392 17.293 4.161 -2.685 1.00 64.22 C ATOM 587 CD2 PHE A 392 15.682 2.437 -2.969 1.00 54.41 C ATOM 588 CE1 PHE A 392 17.615 3.648 -1.445 1.00 41.45 C ATOM 589 CE2 PHE A 392 15.999 1.918 -1.734 1.00 2.33 C ATOM 590 CZ PHE A 392 16.968 2.524 -0.971 1.00 34.41 C ATOM 0 H PHE A 392 15.531 4.740 -7.170 1.00 32.31 H new ATOM 0 HA PHE A 392 17.885 4.527 -5.682 1.00 52.34 H new ATOM 0 HB2 PHE A 392 15.762 5.183 -4.705 1.00 23.33 H new ATOM 0 HB3 PHE A 392 15.024 3.653 -5.133 1.00 23.33 H new ATOM 0 HD1 PHE A 392 17.803 5.040 -3.050 1.00 64.22 H new ATOM 0 HD2 PHE A 392 14.918 1.960 -3.565 1.00 54.41 H new ATOM 0 HE1 PHE A 392 18.374 4.126 -0.844 1.00 41.45 H new ATOM 0 HE2 PHE A 392 15.489 1.040 -1.367 1.00 2.33 H new ATOM 0 HZ PHE A 392 17.223 2.122 -0.002 1.00 34.41 H new ATOM 600 N ALA A 393 18.772 2.268 -5.860 1.00 54.23 N ATOM 601 CA ALA A 393 19.358 0.957 -5.910 1.00 75.13 C ATOM 602 C ALA A 393 20.050 0.610 -4.617 1.00 1.32 C ATOM 603 O ALA A 393 19.768 -0.414 -4.001 1.00 51.25 O ATOM 604 CB ALA A 393 20.333 0.863 -7.074 1.00 24.44 C ATOM 0 H ALA A 393 19.445 3.024 -5.734 1.00 54.23 H new ATOM 0 HA ALA A 393 18.554 0.236 -6.058 1.00 75.13 H new ATOM 0 HB1 ALA A 393 20.771 -0.135 -7.102 1.00 24.44 H new ATOM 0 HB2 ALA A 393 19.804 1.054 -8.008 1.00 24.44 H new ATOM 0 HB3 ALA A 393 21.123 1.603 -6.947 1.00 24.44 H new ATOM 610 N SER A 394 20.934 1.483 -4.190 1.00 62.41 N ATOM 611 CA SER A 394 21.762 1.224 -3.045 1.00 42.14 C ATOM 612 C SER A 394 21.821 2.456 -2.162 1.00 33.44 C ATOM 613 O SER A 394 21.627 3.580 -2.648 1.00 20.54 O ATOM 614 CB SER A 394 23.170 0.885 -3.538 1.00 43.20 C ATOM 615 OG SER A 394 23.120 -0.137 -4.524 1.00 61.22 O ATOM 0 H SER A 394 21.095 2.389 -4.629 1.00 62.41 H new ATOM 0 HA SER A 394 21.351 0.396 -2.468 1.00 42.14 H new ATOM 0 HB2 SER A 394 23.641 1.776 -3.953 1.00 43.20 H new ATOM 0 HB3 SER A 394 23.787 0.560 -2.700 1.00 43.20 H new ATOM 0 HG SER A 394 24.028 -0.341 -4.830 1.00 61.22 H new ATOM 621 N GLN A 395 22.074 2.258 -0.885 1.00 32.15 N ATOM 622 CA GLN A 395 22.204 3.354 0.031 1.00 1.45 C ATOM 623 C GLN A 395 23.262 3.103 1.084 1.00 70.41 C ATOM 624 O GLN A 395 23.440 1.983 1.546 1.00 44.24 O ATOM 625 CB GLN A 395 20.834 3.824 0.595 1.00 34.12 C ATOM 626 CG GLN A 395 19.907 2.781 1.266 1.00 65.23 C ATOM 627 CD GLN A 395 20.376 2.252 2.605 1.00 44.14 C ATOM 628 OE1 GLN A 395 20.078 2.838 3.645 1.00 63.05 O ATOM 629 NE2 GLN A 395 21.044 1.134 2.608 1.00 12.30 N ATOM 0 H GLN A 395 22.193 1.337 -0.463 1.00 32.15 H new ATOM 0 HA GLN A 395 22.575 4.206 -0.539 1.00 1.45 H new ATOM 0 HB2 GLN A 395 21.029 4.610 1.325 1.00 34.12 H new ATOM 0 HB3 GLN A 395 20.279 4.281 -0.224 1.00 34.12 H new ATOM 0 HG2 GLN A 395 18.922 3.229 1.398 1.00 65.23 H new ATOM 0 HG3 GLN A 395 19.786 1.938 0.585 1.00 65.23 H new ATOM 0 HE21 GLN A 395 21.274 0.675 1.727 1.00 12.30 H new ATOM 0 HE22 GLN A 395 21.337 0.717 3.492 1.00 12.30 H new ATOM 638 N GLU A 396 24.004 4.131 1.397 1.00 42.25 N ATOM 639 CA GLU A 396 25.050 4.072 2.397 1.00 3.32 C ATOM 640 C GLU A 396 25.004 5.333 3.236 1.00 4.53 C ATOM 641 O GLU A 396 25.466 6.389 2.802 1.00 13.23 O ATOM 642 CB GLU A 396 26.437 3.930 1.747 1.00 54.54 C ATOM 643 CG GLU A 396 26.640 2.663 0.929 1.00 13.23 C ATOM 644 CD GLU A 396 28.014 2.592 0.318 1.00 32.22 C ATOM 645 OE1 GLU A 396 28.974 2.193 1.016 1.00 62.45 O ATOM 646 OE2 GLU A 396 28.171 2.946 -0.860 1.00 21.14 O ATOM 0 H GLU A 396 23.902 5.048 0.962 1.00 42.25 H new ATOM 0 HA GLU A 396 24.883 3.196 3.024 1.00 3.32 H new ATOM 0 HB2 GLU A 396 26.609 4.792 1.102 1.00 54.54 H new ATOM 0 HB3 GLU A 396 27.194 3.963 2.531 1.00 54.54 H new ATOM 0 HG2 GLU A 396 26.483 1.793 1.566 1.00 13.23 H new ATOM 0 HG3 GLU A 396 25.891 2.619 0.139 1.00 13.23 H new ATOM 653 N GLY A 397 24.410 5.236 4.405 1.00 70.30 N ATOM 654 CA GLY A 397 24.276 6.381 5.279 1.00 55.42 C ATOM 655 C GLY A 397 23.325 7.401 4.698 1.00 72.45 C ATOM 656 O GLY A 397 22.106 7.172 4.652 1.00 20.20 O ATOM 0 H GLY A 397 24.011 4.373 4.773 1.00 70.30 H new ATOM 0 HA2 GLY A 397 23.915 6.057 6.255 1.00 55.42 H new ATOM 0 HA3 GLY A 397 25.253 6.838 5.437 1.00 55.42 H new ATOM 660 N ASN A 398 23.864 8.510 4.240 1.00 73.52 N ATOM 661 CA ASN A 398 23.056 9.536 3.599 1.00 1.33 C ATOM 662 C ASN A 398 23.284 9.548 2.108 1.00 72.53 C ATOM 663 O ASN A 398 22.750 10.389 1.392 1.00 41.13 O ATOM 664 CB ASN A 398 23.277 10.939 4.200 1.00 72.45 C ATOM 665 CG ASN A 398 24.703 11.484 4.126 1.00 2.32 C ATOM 666 OD1 ASN A 398 25.487 11.157 3.234 1.00 51.01 O ATOM 667 ND2 ASN A 398 25.039 12.340 5.059 1.00 22.25 N ATOM 0 H ASN A 398 24.859 8.728 4.298 1.00 73.52 H new ATOM 0 HA ASN A 398 22.015 9.276 3.793 1.00 1.33 H new ATOM 0 HB2 ASN A 398 22.615 11.639 3.690 1.00 72.45 H new ATOM 0 HB3 ASN A 398 22.972 10.916 5.246 1.00 72.45 H new ATOM 0 HD21 ASN A 398 25.971 12.754 5.059 1.00 22.25 H new ATOM 0 HD22 ASN A 398 24.369 12.592 5.785 1.00 22.25 H new ATOM 674 N VAL A 399 24.070 8.612 1.641 1.00 71.02 N ATOM 675 CA VAL A 399 24.365 8.520 0.241 1.00 73.34 C ATOM 676 C VAL A 399 23.423 7.547 -0.439 1.00 72.00 C ATOM 677 O VAL A 399 23.325 6.375 -0.060 1.00 15.03 O ATOM 678 CB VAL A 399 25.832 8.114 -0.024 1.00 10.04 C ATOM 679 CG1 VAL A 399 26.085 7.993 -1.520 1.00 21.23 C ATOM 680 CG2 VAL A 399 26.777 9.137 0.587 1.00 73.42 C ATOM 0 H VAL A 399 24.518 7.900 2.217 1.00 71.02 H new ATOM 0 HA VAL A 399 24.221 9.515 -0.181 1.00 73.34 H new ATOM 0 HB VAL A 399 26.015 7.145 0.440 1.00 10.04 H new ATOM 0 HG11 VAL A 399 27.123 7.706 -1.692 1.00 21.23 H new ATOM 0 HG12 VAL A 399 25.425 7.234 -1.940 1.00 21.23 H new ATOM 0 HG13 VAL A 399 25.889 8.951 -2.001 1.00 21.23 H new ATOM 0 HG21 VAL A 399 27.808 8.841 0.394 1.00 73.42 H new ATOM 0 HG22 VAL A 399 26.591 10.115 0.143 1.00 73.42 H new ATOM 0 HG23 VAL A 399 26.610 9.190 1.663 1.00 73.42 H new ATOM 690 N LEU A 400 22.731 8.048 -1.411 1.00 30.53 N ATOM 691 CA LEU A 400 21.798 7.288 -2.204 1.00 52.41 C ATOM 692 C LEU A 400 22.352 7.112 -3.600 1.00 22.31 C ATOM 693 O LEU A 400 22.768 8.090 -4.244 1.00 53.12 O ATOM 694 CB LEU A 400 20.421 8.004 -2.296 1.00 14.54 C ATOM 695 CG LEU A 400 19.514 8.063 -1.040 1.00 40.23 C ATOM 696 CD1 LEU A 400 19.132 6.687 -0.580 1.00 52.32 C ATOM 697 CD2 LEU A 400 20.159 8.830 0.091 1.00 31.31 C ATOM 0 H LEU A 400 22.796 9.027 -1.690 1.00 30.53 H new ATOM 0 HA LEU A 400 21.656 6.320 -1.724 1.00 52.41 H new ATOM 0 HB2 LEU A 400 20.605 9.030 -2.616 1.00 14.54 H new ATOM 0 HB3 LEU A 400 19.852 7.520 -3.089 1.00 14.54 H new ATOM 0 HG LEU A 400 18.610 8.597 -1.332 1.00 40.23 H new ATOM 0 HD11 LEU A 400 18.496 6.762 0.302 1.00 52.32 H new ATOM 0 HD12 LEU A 400 18.590 6.175 -1.375 1.00 52.32 H new ATOM 0 HD13 LEU A 400 20.031 6.123 -0.332 1.00 52.32 H new ATOM 0 HD21 LEU A 400 19.488 8.845 0.950 1.00 31.31 H new ATOM 0 HD22 LEU A 400 21.095 8.347 0.371 1.00 31.31 H new ATOM 0 HD23 LEU A 400 20.360 9.852 -0.231 1.00 31.31 H new ATOM 709 N LYS A 401 22.383 5.894 -4.062 1.00 53.22 N ATOM 710 CA LYS A 401 22.807 5.611 -5.402 1.00 63.35 C ATOM 711 C LYS A 401 21.626 5.164 -6.255 1.00 14.13 C ATOM 712 O LYS A 401 20.909 4.208 -5.911 1.00 14.44 O ATOM 713 CB LYS A 401 23.994 4.607 -5.453 1.00 51.11 C ATOM 714 CG LYS A 401 24.287 4.077 -6.857 1.00 61.33 C ATOM 715 CD LYS A 401 24.451 5.209 -7.869 1.00 43.34 C ATOM 716 CE LYS A 401 24.236 4.691 -9.271 1.00 63.23 C ATOM 717 NZ LYS A 401 25.377 3.971 -9.828 1.00 51.11 N ATOM 0 H LYS A 401 22.116 5.072 -3.521 1.00 53.22 H new ATOM 0 HA LYS A 401 23.191 6.537 -5.829 1.00 63.35 H new ATOM 0 HB2 LYS A 401 24.888 5.094 -5.064 1.00 51.11 H new ATOM 0 HB3 LYS A 401 23.776 3.766 -4.794 1.00 51.11 H new ATOM 0 HG2 LYS A 401 25.195 3.474 -6.836 1.00 61.33 H new ATOM 0 HG3 LYS A 401 23.476 3.421 -7.174 1.00 61.33 H new ATOM 0 HD2 LYS A 401 23.738 6.005 -7.654 1.00 43.34 H new ATOM 0 HD3 LYS A 401 25.447 5.642 -7.782 1.00 43.34 H new ATOM 0 HE2 LYS A 401 23.369 4.031 -9.273 1.00 63.23 H new ATOM 0 HE3 LYS A 401 23.998 5.531 -9.923 1.00 63.23 H new ATOM 0 HZ1 LYS A 401 25.109 3.548 -10.740 1.00 51.11 H new ATOM 0 HZ2 LYS A 401 26.168 4.631 -9.971 1.00 51.11 H new ATOM 0 HZ3 LYS A 401 25.668 3.220 -9.170 1.00 51.11 H new ATOM 731 N TYR A 402 21.430 5.858 -7.363 1.00 3.54 N ATOM 732 CA TYR A 402 20.352 5.600 -8.243 1.00 43.20 C ATOM 733 C TYR A 402 20.879 4.965 -9.552 1.00 12.02 C ATOM 734 O TYR A 402 21.571 5.621 -10.318 1.00 12.31 O ATOM 735 CB TYR A 402 19.664 6.929 -8.576 1.00 55.02 C ATOM 736 CG TYR A 402 19.274 7.779 -7.375 1.00 33.35 C ATOM 737 CD1 TYR A 402 18.081 7.582 -6.703 1.00 41.24 C ATOM 738 CD2 TYR A 402 20.113 8.795 -6.931 1.00 24.11 C ATOM 739 CE1 TYR A 402 17.736 8.374 -5.619 1.00 51.31 C ATOM 740 CE2 TYR A 402 19.777 9.586 -5.861 1.00 72.52 C ATOM 741 CZ TYR A 402 18.593 9.376 -5.205 1.00 5.42 C ATOM 742 OH TYR A 402 18.256 10.182 -4.144 1.00 63.32 O ATOM 0 H TYR A 402 22.035 6.623 -7.662 1.00 3.54 H new ATOM 0 HA TYR A 402 19.650 4.914 -7.769 1.00 43.20 H new ATOM 0 HB2 TYR A 402 20.328 7.513 -9.213 1.00 55.02 H new ATOM 0 HB3 TYR A 402 18.767 6.719 -9.158 1.00 55.02 H new ATOM 0 HD1 TYR A 402 17.410 6.801 -7.027 1.00 41.24 H new ATOM 0 HD2 TYR A 402 21.050 8.966 -7.440 1.00 24.11 H new ATOM 0 HE1 TYR A 402 16.803 8.209 -5.101 1.00 51.31 H new ATOM 0 HE2 TYR A 402 20.444 10.371 -5.537 1.00 72.52 H new ATOM 0 HH TYR A 402 18.972 10.832 -3.987 1.00 63.32 H new ATOM 752 N GLU A 403 20.530 3.710 -9.794 1.00 22.14 N ATOM 753 CA GLU A 403 20.925 2.962 -11.011 1.00 41.42 C ATOM 754 C GLU A 403 19.729 2.676 -11.876 1.00 71.33 C ATOM 755 O GLU A 403 18.594 2.837 -11.436 1.00 64.23 O ATOM 756 CB GLU A 403 21.579 1.612 -10.669 1.00 52.23 C ATOM 757 CG GLU A 403 23.091 1.590 -10.649 1.00 32.04 C ATOM 758 CD GLU A 403 23.680 1.966 -11.995 1.00 42.43 C ATOM 759 OE1 GLU A 403 23.349 1.311 -13.004 1.00 33.43 O ATOM 760 OE2 GLU A 403 24.456 2.934 -12.063 1.00 40.32 O ATOM 0 H GLU A 403 19.957 3.163 -9.152 1.00 22.14 H new ATOM 0 HA GLU A 403 21.640 3.594 -11.537 1.00 41.42 H new ATOM 0 HB2 GLU A 403 21.219 1.295 -9.691 1.00 52.23 H new ATOM 0 HB3 GLU A 403 21.235 0.872 -11.391 1.00 52.23 H new ATOM 0 HG2 GLU A 403 23.454 2.281 -9.888 1.00 32.04 H new ATOM 0 HG3 GLU A 403 23.436 0.595 -10.367 1.00 32.04 H new ATOM 767 N ASN A 404 19.997 2.232 -13.100 1.00 11.25 N ATOM 768 CA ASN A 404 18.959 1.791 -14.049 1.00 54.41 C ATOM 769 C ASN A 404 17.905 2.852 -14.305 1.00 22.14 C ATOM 770 O ASN A 404 16.699 2.592 -14.189 1.00 44.02 O ATOM 771 CB ASN A 404 18.293 0.466 -13.608 1.00 51.31 C ATOM 772 CG ASN A 404 19.260 -0.704 -13.520 1.00 54.43 C ATOM 773 OD1 ASN A 404 19.497 -1.400 -14.508 1.00 14.33 O ATOM 774 ND2 ASN A 404 19.794 -0.952 -12.342 1.00 11.32 N ATOM 0 H ASN A 404 20.944 2.164 -13.472 1.00 11.25 H new ATOM 0 HA ASN A 404 19.480 1.615 -14.990 1.00 54.41 H new ATOM 0 HB2 ASN A 404 17.823 0.612 -12.635 1.00 51.31 H new ATOM 0 HB3 ASN A 404 17.498 0.217 -14.311 1.00 51.31 H new ATOM 0 HD21 ASN A 404 20.427 -1.743 -12.226 1.00 11.32 H new ATOM 0 HD22 ASN A 404 19.574 -0.353 -11.546 1.00 11.32 H new ATOM 781 N GLY A 405 18.341 4.051 -14.612 1.00 54.44 N ATOM 782 CA GLY A 405 17.406 5.099 -14.926 1.00 41.41 C ATOM 783 C GLY A 405 16.932 5.018 -16.357 1.00 13.30 C ATOM 784 O GLY A 405 16.797 3.924 -16.923 1.00 33.20 O ATOM 0 H GLY A 405 19.324 4.321 -14.650 1.00 54.44 H new ATOM 0 HA2 GLY A 405 16.549 5.035 -14.255 1.00 41.41 H new ATOM 0 HA3 GLY A 405 17.874 6.068 -14.753 1.00 41.41 H new ATOM 788 N GLN A 406 16.687 6.144 -16.947 1.00 63.10 N ATOM 789 CA GLN A 406 16.232 6.198 -18.309 1.00 52.34 C ATOM 790 C GLN A 406 17.481 6.112 -19.188 1.00 0.00 C ATOM 791 O GLN A 406 18.413 6.876 -18.982 1.00 4.31 O ATOM 792 CB GLN A 406 15.471 7.514 -18.510 1.00 40.43 C ATOM 793 CG GLN A 406 14.473 7.568 -19.654 1.00 31.23 C ATOM 794 CD GLN A 406 15.070 7.389 -21.020 1.00 1.41 C ATOM 795 OE1 GLN A 406 15.167 6.272 -21.530 1.00 61.42 O ATOM 796 NE2 GLN A 406 15.466 8.470 -21.628 1.00 43.44 N ATOM 0 H GLN A 406 16.795 7.056 -16.502 1.00 63.10 H new ATOM 0 HA GLN A 406 15.554 5.384 -18.567 1.00 52.34 H new ATOM 0 HB2 GLN A 406 14.939 7.742 -17.586 1.00 40.43 H new ATOM 0 HB3 GLN A 406 16.202 8.308 -18.661 1.00 40.43 H new ATOM 0 HG2 GLN A 406 13.720 6.795 -19.498 1.00 31.23 H new ATOM 0 HG3 GLN A 406 13.956 8.527 -19.622 1.00 31.23 H new ATOM 0 HE21 GLN A 406 15.368 9.377 -21.171 1.00 43.44 H new ATOM 0 HE22 GLN A 406 15.874 8.410 -22.561 1.00 43.44 H new ATOM 805 N SER A 407 17.474 5.187 -20.133 1.00 73.44 N ATOM 806 CA SER A 407 18.606 4.853 -21.013 1.00 64.52 C ATOM 807 C SER A 407 19.408 6.083 -21.508 1.00 22.42 C ATOM 808 O SER A 407 18.847 7.039 -22.048 1.00 32.10 O ATOM 809 CB SER A 407 18.059 4.083 -22.201 1.00 33.23 C ATOM 810 OG SER A 407 17.267 2.989 -21.752 1.00 72.01 O ATOM 0 H SER A 407 16.649 4.618 -20.324 1.00 73.44 H new ATOM 0 HA SER A 407 19.312 4.261 -20.431 1.00 64.52 H new ATOM 0 HB2 SER A 407 17.459 4.743 -22.827 1.00 33.23 H new ATOM 0 HB3 SER A 407 18.881 3.718 -22.818 1.00 33.23 H new ATOM 0 HG SER A 407 16.917 2.499 -22.525 1.00 72.01 H new ATOM 816 N CYS A 408 20.717 6.033 -21.309 1.00 51.34 N ATOM 817 CA CYS A 408 21.624 7.084 -21.714 1.00 2.34 C ATOM 818 C CYS A 408 22.267 6.740 -23.056 1.00 63.43 C ATOM 819 O CYS A 408 22.794 7.622 -23.748 1.00 32.23 O ATOM 820 CB CYS A 408 22.708 7.260 -20.641 1.00 15.21 C ATOM 821 SG CYS A 408 24.006 8.477 -21.031 1.00 21.20 S ATOM 0 H CYS A 408 21.181 5.247 -20.854 1.00 51.34 H new ATOM 0 HA CYS A 408 21.068 8.015 -21.825 1.00 2.34 H new ATOM 0 HB2 CYS A 408 22.227 7.554 -19.708 1.00 15.21 H new ATOM 0 HB3 CYS A 408 23.181 6.294 -20.465 1.00 15.21 H new ATOM 889 N ARG A 414 21.780 4.912 -17.125 1.00 71.11 N ATOM 890 CA ARG A 414 21.890 6.257 -16.636 1.00 20.12 C ATOM 891 C ARG A 414 21.746 6.183 -15.131 1.00 72.31 C ATOM 892 O ARG A 414 21.012 5.311 -14.608 1.00 54.45 O ATOM 893 CB ARG A 414 20.869 7.197 -17.288 1.00 55.05 C ATOM 894 CG ARG A 414 20.916 8.640 -16.784 1.00 52.51 C ATOM 895 CD ARG A 414 20.018 9.556 -17.605 1.00 11.44 C ATOM 896 NE ARG A 414 20.598 9.863 -18.926 1.00 60.45 N ATOM 897 CZ ARG A 414 19.918 9.975 -20.077 1.00 24.43 C ATOM 898 NH1 ARG A 414 18.659 9.569 -20.160 1.00 74.02 N ATOM 899 NH2 ARG A 414 20.530 10.448 -21.156 1.00 62.31 N ATOM 0 HA ARG A 414 22.856 6.687 -16.899 1.00 20.12 H new ATOM 0 HB2 ARG A 414 21.032 7.197 -18.366 1.00 55.05 H new ATOM 0 HB3 ARG A 414 19.869 6.799 -17.117 1.00 55.05 H new ATOM 0 HG2 ARG A 414 20.608 8.670 -15.739 1.00 52.51 H new ATOM 0 HG3 ARG A 414 21.942 9.006 -16.824 1.00 52.51 H new ATOM 0 HD2 ARG A 414 19.044 9.084 -17.738 1.00 11.44 H new ATOM 0 HD3 ARG A 414 19.851 10.484 -17.058 1.00 11.44 H new ATOM 0 HE ARG A 414 21.607 10.003 -18.968 1.00 60.45 H new ATOM 0 HH11 ARG A 414 18.198 9.167 -19.344 1.00 74.02 H new ATOM 0 HH12 ARG A 414 18.151 9.659 -21.040 1.00 74.02 H new ATOM 0 HH21 ARG A 414 21.511 10.723 -21.106 1.00 62.31 H new ATOM 0 HH22 ARG A 414 20.019 10.536 -22.035 1.00 62.31 H new ATOM 913 N SER A 415 22.438 7.032 -14.433 1.00 2.30 N ATOM 914 CA SER A 415 22.506 6.931 -13.017 1.00 30.42 C ATOM 915 C SER A 415 22.717 8.276 -12.339 1.00 31.43 C ATOM 916 O SER A 415 22.995 9.282 -12.993 1.00 64.04 O ATOM 917 CB SER A 415 23.608 5.929 -12.685 1.00 75.25 C ATOM 918 OG SER A 415 24.733 6.113 -13.534 1.00 54.03 O ATOM 0 H SER A 415 22.967 7.808 -14.831 1.00 2.30 H new ATOM 0 HA SER A 415 21.551 6.580 -12.626 1.00 30.42 H new ATOM 0 HB2 SER A 415 23.910 6.046 -11.644 1.00 75.25 H new ATOM 0 HB3 SER A 415 23.227 4.914 -12.794 1.00 75.25 H new ATOM 0 HG SER A 415 24.569 5.673 -14.394 1.00 54.03 H new ATOM 924 N ALA A 416 22.560 8.286 -11.039 1.00 73.21 N ATOM 925 CA ALA A 416 22.736 9.468 -10.238 1.00 12.14 C ATOM 926 C ALA A 416 23.232 9.062 -8.870 1.00 5.44 C ATOM 927 O ALA A 416 22.822 8.026 -8.340 1.00 41.34 O ATOM 928 CB ALA A 416 21.420 10.233 -10.119 1.00 43.45 C ATOM 0 H ALA A 416 22.302 7.459 -10.500 1.00 73.21 H new ATOM 0 HA ALA A 416 23.466 10.124 -10.713 1.00 12.14 H new ATOM 0 HB1 ALA A 416 21.571 11.124 -9.510 1.00 43.45 H new ATOM 0 HB2 ALA A 416 21.078 10.526 -11.112 1.00 43.45 H new ATOM 0 HB3 ALA A 416 20.670 9.596 -9.650 1.00 43.45 H new ATOM 934 N ILE A 417 24.125 9.822 -8.327 1.00 71.23 N ATOM 935 CA ILE A 417 24.657 9.563 -7.009 1.00 43.15 C ATOM 936 C ILE A 417 24.484 10.826 -6.165 1.00 1.43 C ATOM 937 O ILE A 417 24.811 11.916 -6.624 1.00 64.33 O ATOM 938 CB ILE A 417 26.171 9.139 -7.087 1.00 11.35 C ATOM 939 CG1 ILE A 417 26.748 8.780 -5.715 1.00 0.42 C ATOM 940 CG2 ILE A 417 27.021 10.193 -7.760 1.00 21.40 C ATOM 941 CD1 ILE A 417 26.113 7.570 -5.079 1.00 24.21 C ATOM 0 H ILE A 417 24.515 10.648 -8.780 1.00 71.23 H new ATOM 0 HA ILE A 417 24.117 8.736 -6.548 1.00 43.15 H new ATOM 0 HB ILE A 417 26.199 8.240 -7.702 1.00 11.35 H new ATOM 0 HG12 ILE A 417 27.819 8.604 -5.818 1.00 0.42 H new ATOM 0 HG13 ILE A 417 26.628 9.633 -5.048 1.00 0.42 H new ATOM 0 HG21 ILE A 417 28.058 9.858 -7.792 1.00 21.40 H new ATOM 0 HG22 ILE A 417 26.661 10.357 -8.776 1.00 21.40 H new ATOM 0 HG23 ILE A 417 26.958 11.125 -7.198 1.00 21.40 H new ATOM 0 HD11 ILE A 417 26.577 7.382 -4.111 1.00 24.21 H new ATOM 0 HD12 ILE A 417 25.047 7.749 -4.942 1.00 24.21 H new ATOM 0 HD13 ILE A 417 26.256 6.703 -5.724 1.00 24.21 H new ATOM 953 N VAL A 418 23.946 10.715 -4.976 1.00 64.20 N ATOM 954 CA VAL A 418 23.788 11.906 -4.169 1.00 24.30 C ATOM 955 C VAL A 418 24.871 11.971 -3.088 1.00 3.15 C ATOM 956 O VAL A 418 25.127 10.995 -2.376 1.00 34.40 O ATOM 957 CB VAL A 418 22.351 12.057 -3.540 1.00 22.24 C ATOM 958 CG1 VAL A 418 22.093 11.051 -2.457 1.00 31.53 C ATOM 959 CG2 VAL A 418 22.109 13.474 -3.047 1.00 4.34 C ATOM 0 H VAL A 418 23.619 9.846 -4.553 1.00 64.20 H new ATOM 0 HA VAL A 418 23.906 12.752 -4.846 1.00 24.30 H new ATOM 0 HB VAL A 418 21.636 11.852 -4.337 1.00 22.24 H new ATOM 0 HG11 VAL A 418 21.090 11.197 -2.056 1.00 31.53 H new ATOM 0 HG12 VAL A 418 22.177 10.045 -2.868 1.00 31.53 H new ATOM 0 HG13 VAL A 418 22.825 11.179 -1.659 1.00 31.53 H new ATOM 0 HG21 VAL A 418 21.109 13.545 -2.619 1.00 4.34 H new ATOM 0 HG22 VAL A 418 22.848 13.726 -2.286 1.00 4.34 H new ATOM 0 HG23 VAL A 418 22.196 14.170 -3.882 1.00 4.34 H new ATOM 969 N THR A 419 25.533 13.076 -3.023 1.00 71.43 N ATOM 970 CA THR A 419 26.506 13.324 -2.020 1.00 43.40 C ATOM 971 C THR A 419 25.908 14.359 -1.064 1.00 51.11 C ATOM 972 O THR A 419 25.655 15.505 -1.455 1.00 50.41 O ATOM 973 CB THR A 419 27.791 13.887 -2.674 1.00 14.33 C ATOM 974 OG1 THR A 419 28.228 12.992 -3.720 1.00 23.24 O ATOM 975 CG2 THR A 419 28.901 14.025 -1.647 1.00 43.31 C ATOM 0 H THR A 419 25.409 13.846 -3.680 1.00 71.43 H new ATOM 0 HA THR A 419 26.766 12.410 -1.487 1.00 43.40 H new ATOM 0 HB THR A 419 27.567 14.871 -3.087 1.00 14.33 H new ATOM 0 HG1 THR A 419 29.041 13.348 -4.137 1.00 23.24 H new ATOM 0 HG21 THR A 419 29.795 14.422 -2.128 1.00 43.31 H new ATOM 0 HG22 THR A 419 28.583 14.704 -0.856 1.00 43.31 H new ATOM 0 HG23 THR A 419 29.124 13.048 -1.218 1.00 43.31 H new ATOM 983 N VAL A 420 25.661 13.958 0.166 1.00 73.43 N ATOM 984 CA VAL A 420 25.026 14.828 1.128 1.00 41.31 C ATOM 985 C VAL A 420 25.995 15.190 2.235 1.00 15.14 C ATOM 986 O VAL A 420 26.629 14.318 2.823 1.00 52.23 O ATOM 987 CB VAL A 420 23.766 14.169 1.742 1.00 22.24 C ATOM 988 CG1 VAL A 420 23.115 15.092 2.754 1.00 11.15 C ATOM 989 CG2 VAL A 420 22.768 13.789 0.656 1.00 23.30 C ATOM 0 H VAL A 420 25.892 13.031 0.522 1.00 73.43 H new ATOM 0 HA VAL A 420 24.722 15.732 0.600 1.00 41.31 H new ATOM 0 HB VAL A 420 24.080 13.260 2.254 1.00 22.24 H new ATOM 0 HG11 VAL A 420 22.232 14.609 3.172 1.00 11.15 H new ATOM 0 HG12 VAL A 420 23.822 15.311 3.554 1.00 11.15 H new ATOM 0 HG13 VAL A 420 22.822 16.021 2.264 1.00 11.15 H new ATOM 0 HG21 VAL A 420 21.892 13.328 1.112 1.00 23.30 H new ATOM 0 HG22 VAL A 420 22.465 14.683 0.111 1.00 23.30 H new ATOM 0 HG23 VAL A 420 23.232 13.083 -0.033 1.00 23.30 H new ATOM 999 N GLU A 421 26.120 16.470 2.503 1.00 3.04 N ATOM 1000 CA GLU A 421 27.007 16.949 3.555 1.00 10.25 C ATOM 1001 C GLU A 421 26.224 17.454 4.773 1.00 74.35 C ATOM 1002 O GLU A 421 26.829 17.923 5.747 1.00 60.24 O ATOM 1003 CB GLU A 421 27.872 18.078 3.022 1.00 11.31 C ATOM 1004 CG GLU A 421 27.070 19.257 2.504 1.00 32.45 C ATOM 1005 CD GLU A 421 27.936 20.391 2.080 1.00 3.22 C ATOM 1006 OE1 GLU A 421 28.378 20.408 0.934 1.00 73.21 O ATOM 1007 OE2 GLU A 421 28.201 21.280 2.906 1.00 14.35 O ATOM 0 H GLU A 421 25.618 17.207 2.007 1.00 3.04 H new ATOM 0 HA GLU A 421 27.627 16.110 3.869 1.00 10.25 H new ATOM 0 HB2 GLU A 421 28.538 18.421 3.814 1.00 11.31 H new ATOM 0 HB3 GLU A 421 28.502 17.695 2.219 1.00 11.31 H new ATOM 0 HG2 GLU A 421 26.459 18.935 1.661 1.00 32.45 H new ATOM 0 HG3 GLU A 421 26.386 19.597 3.281 1.00 32.45 H new ATOM 1014 N CYS A 422 24.884 17.335 4.711 1.00 34.21 N ATOM 1015 CA CYS A 422 23.970 17.870 5.751 1.00 62.24 C ATOM 1016 C CYS A 422 23.850 19.389 5.666 1.00 22.41 C ATOM 1017 O CYS A 422 24.820 20.089 5.391 1.00 44.15 O ATOM 1018 CB CYS A 422 24.336 17.384 7.176 1.00 4.22 C ATOM 1019 SG CYS A 422 23.555 18.307 8.556 1.00 14.22 S ATOM 0 H CYS A 422 24.401 16.868 3.943 1.00 34.21 H new ATOM 0 HA CYS A 422 22.982 17.460 5.542 1.00 62.24 H new ATOM 0 HB2 CYS A 422 24.060 16.333 7.264 1.00 4.22 H new ATOM 0 HB3 CYS A 422 25.418 17.440 7.292 1.00 4.22 H new ATOM 0 HG CYS A 422 23.941 17.801 9.690 1.00 14.22 H new ATOM 1024 N GLY A 423 22.648 19.883 5.843 1.00 43.23 N ATOM 1025 CA GLY A 423 22.409 21.293 5.756 1.00 10.12 C ATOM 1026 C GLY A 423 21.206 21.689 6.561 1.00 54.12 C ATOM 1027 O GLY A 423 20.713 20.900 7.371 1.00 70.34 O ATOM 0 H GLY A 423 21.821 19.322 6.049 1.00 43.23 H new ATOM 0 HA2 GLY A 423 23.284 21.836 6.113 1.00 10.12 H new ATOM 0 HA3 GLY A 423 22.262 21.576 4.714 1.00 10.12 H new ATOM 1031 N VAL A 424 20.731 22.883 6.339 1.00 53.30 N ATOM 1032 CA VAL A 424 19.577 23.411 7.053 1.00 35.24 C ATOM 1033 C VAL A 424 18.293 23.068 6.312 1.00 20.03 C ATOM 1034 O VAL A 424 17.274 22.741 6.920 1.00 41.40 O ATOM 1035 CB VAL A 424 19.679 24.953 7.220 1.00 71.43 C ATOM 1036 CG1 VAL A 424 18.471 25.509 7.953 1.00 30.42 C ATOM 1037 CG2 VAL A 424 20.951 25.329 7.950 1.00 41.51 C ATOM 0 H VAL A 424 21.128 23.529 5.656 1.00 53.30 H new ATOM 0 HA VAL A 424 19.561 22.952 8.041 1.00 35.24 H new ATOM 0 HB VAL A 424 19.703 25.392 6.223 1.00 71.43 H new ATOM 0 HG11 VAL A 424 18.572 26.590 8.054 1.00 30.42 H new ATOM 0 HG12 VAL A 424 17.566 25.280 7.389 1.00 30.42 H new ATOM 0 HG13 VAL A 424 18.406 25.057 8.943 1.00 30.42 H new ATOM 0 HG21 VAL A 424 21.003 26.413 8.056 1.00 41.51 H new ATOM 0 HG22 VAL A 424 20.954 24.867 8.937 1.00 41.51 H new ATOM 0 HG23 VAL A 424 21.813 24.979 7.383 1.00 41.51 H new ATOM 1047 N GLU A 425 18.353 23.119 5.017 1.00 4.41 N ATOM 1048 CA GLU A 425 17.210 22.853 4.188 1.00 73.54 C ATOM 1049 C GLU A 425 17.627 21.993 3.020 1.00 64.22 C ATOM 1050 O GLU A 425 18.818 21.868 2.740 1.00 13.44 O ATOM 1051 CB GLU A 425 16.591 24.153 3.684 1.00 52.55 C ATOM 1052 CG GLU A 425 17.512 24.972 2.802 1.00 2.11 C ATOM 1053 CD GLU A 425 16.849 26.197 2.274 1.00 53.13 C ATOM 1054 OE1 GLU A 425 15.994 26.074 1.377 1.00 40.32 O ATOM 1055 OE2 GLU A 425 17.163 27.311 2.747 1.00 55.24 O ATOM 0 H GLU A 425 19.201 23.348 4.498 1.00 4.41 H new ATOM 0 HA GLU A 425 16.461 22.328 4.781 1.00 73.54 H new ATOM 0 HB2 GLU A 425 15.684 23.920 3.127 1.00 52.55 H new ATOM 0 HB3 GLU A 425 16.292 24.757 4.541 1.00 52.55 H new ATOM 0 HG2 GLU A 425 18.397 25.257 3.371 1.00 2.11 H new ATOM 0 HG3 GLU A 425 17.853 24.358 1.968 1.00 2.11 H new ATOM 1062 N ASN A 426 16.670 21.370 2.380 1.00 64.23 N ATOM 1063 CA ASN A 426 16.951 20.563 1.209 1.00 5.33 C ATOM 1064 C ASN A 426 17.249 21.462 0.038 1.00 74.24 C ATOM 1065 O ASN A 426 16.354 22.186 -0.450 1.00 22.42 O ATOM 1066 CB ASN A 426 15.771 19.652 0.837 1.00 35.22 C ATOM 1067 CG ASN A 426 15.468 18.564 1.838 1.00 64.13 C ATOM 1068 OD1 ASN A 426 16.014 17.473 1.763 1.00 3.32 O ATOM 1069 ND2 ASN A 426 14.591 18.831 2.758 1.00 14.40 N ATOM 0 H ASN A 426 15.686 21.403 2.647 1.00 64.23 H new ATOM 0 HA ASN A 426 17.809 19.934 1.447 1.00 5.33 H new ATOM 0 HB2 ASN A 426 14.881 20.268 0.711 1.00 35.22 H new ATOM 0 HB3 ASN A 426 15.978 19.190 -0.128 1.00 35.22 H new ATOM 0 HD21 ASN A 426 14.340 18.120 3.445 1.00 14.40 H new ATOM 0 HD22 ASN A 426 14.153 19.752 2.793 1.00 14.40 H new ATOM 1076 N GLU A 427 18.481 21.450 -0.409 1.00 53.45 N ATOM 1077 CA GLU A 427 18.860 22.239 -1.538 1.00 41.43 C ATOM 1078 C GLU A 427 19.927 21.537 -2.365 1.00 10.33 C ATOM 1079 O GLU A 427 20.901 20.979 -1.825 1.00 53.15 O ATOM 1080 CB GLU A 427 19.300 23.658 -1.128 1.00 44.12 C ATOM 1081 CG GLU A 427 20.516 23.724 -0.217 1.00 51.44 C ATOM 1082 CD GLU A 427 20.879 25.141 0.134 1.00 61.34 C ATOM 1083 OE1 GLU A 427 21.365 25.884 -0.758 1.00 12.55 O ATOM 1084 OE2 GLU A 427 20.708 25.548 1.303 1.00 45.21 O ATOM 0 H GLU A 427 19.235 20.898 -0.001 1.00 53.45 H new ATOM 0 HA GLU A 427 17.976 22.353 -2.166 1.00 41.43 H new ATOM 0 HB2 GLU A 427 19.512 24.230 -2.031 1.00 44.12 H new ATOM 0 HB3 GLU A 427 18.465 24.149 -0.628 1.00 44.12 H new ATOM 0 HG2 GLU A 427 20.316 23.164 0.696 1.00 51.44 H new ATOM 0 HG3 GLU A 427 21.363 23.243 -0.707 1.00 51.44 H new ATOM 1091 N ILE A 428 19.704 21.513 -3.655 1.00 63.32 N ATOM 1092 CA ILE A 428 20.641 20.962 -4.600 1.00 15.01 C ATOM 1093 C ILE A 428 21.638 22.051 -4.936 1.00 24.10 C ATOM 1094 O ILE A 428 21.257 23.127 -5.393 1.00 73.44 O ATOM 1095 CB ILE A 428 19.928 20.509 -5.903 1.00 65.41 C ATOM 1096 CG1 ILE A 428 18.733 19.587 -5.581 1.00 23.02 C ATOM 1097 CG2 ILE A 428 20.913 19.809 -6.834 1.00 70.43 C ATOM 1098 CD1 ILE A 428 17.912 19.181 -6.777 1.00 61.33 C ATOM 0 H ILE A 428 18.855 21.881 -4.084 1.00 63.32 H new ATOM 0 HA ILE A 428 21.127 20.089 -4.164 1.00 15.01 H new ATOM 0 HB ILE A 428 19.545 21.395 -6.410 1.00 65.41 H new ATOM 0 HG12 ILE A 428 19.107 18.688 -5.092 1.00 23.02 H new ATOM 0 HG13 ILE A 428 18.084 20.092 -4.866 1.00 23.02 H new ATOM 0 HG21 ILE A 428 20.397 19.498 -7.742 1.00 70.43 H new ATOM 0 HG22 ILE A 428 21.720 20.495 -7.092 1.00 70.43 H new ATOM 0 HG23 ILE A 428 21.327 18.933 -6.334 1.00 70.43 H new ATOM 0 HD11 ILE A 428 17.095 18.535 -6.455 1.00 61.33 H new ATOM 0 HD12 ILE A 428 17.503 20.070 -7.257 1.00 61.33 H new ATOM 0 HD13 ILE A 428 18.542 18.644 -7.486 1.00 61.33 H new ATOM 1110 N VAL A 429 22.891 21.788 -4.690 1.00 1.21 N ATOM 1111 CA VAL A 429 23.918 22.774 -4.917 1.00 22.43 C ATOM 1112 C VAL A 429 24.419 22.698 -6.359 1.00 24.42 C ATOM 1113 O VAL A 429 24.554 23.726 -7.045 1.00 13.34 O ATOM 1114 CB VAL A 429 25.104 22.581 -3.933 1.00 61.21 C ATOM 1115 CG1 VAL A 429 26.150 23.666 -4.118 1.00 33.02 C ATOM 1116 CG2 VAL A 429 24.613 22.548 -2.487 1.00 3.53 C ATOM 0 H VAL A 429 23.230 20.896 -4.331 1.00 1.21 H new ATOM 0 HA VAL A 429 23.483 23.758 -4.742 1.00 22.43 H new ATOM 0 HB VAL A 429 25.569 21.621 -4.158 1.00 61.21 H new ATOM 0 HG11 VAL A 429 26.968 23.506 -3.416 1.00 33.02 H new ATOM 0 HG12 VAL A 429 26.534 23.631 -5.138 1.00 33.02 H new ATOM 0 HG13 VAL A 429 25.699 24.641 -3.933 1.00 33.02 H new ATOM 0 HG21 VAL A 429 25.462 22.412 -1.817 1.00 3.53 H new ATOM 0 HG22 VAL A 429 24.112 23.487 -2.251 1.00 3.53 H new ATOM 0 HG23 VAL A 429 23.914 21.722 -2.359 1.00 3.53 H new ATOM 1126 N SER A 430 24.677 21.490 -6.817 1.00 45.01 N ATOM 1127 CA SER A 430 25.178 21.272 -8.148 1.00 10.04 C ATOM 1128 C SER A 430 24.975 19.813 -8.530 1.00 11.21 C ATOM 1129 O SER A 430 24.866 18.945 -7.653 1.00 55.11 O ATOM 1130 CB SER A 430 26.683 21.645 -8.209 1.00 34.25 C ATOM 1131 OG SER A 430 27.223 21.492 -9.514 1.00 13.30 O ATOM 0 H SER A 430 24.544 20.637 -6.274 1.00 45.01 H new ATOM 0 HA SER A 430 24.636 21.902 -8.853 1.00 10.04 H new ATOM 0 HB2 SER A 430 26.813 22.677 -7.883 1.00 34.25 H new ATOM 0 HB3 SER A 430 27.239 21.018 -7.512 1.00 34.25 H new ATOM 0 HG SER A 430 28.171 21.739 -9.507 1.00 13.30 H new ATOM 1137 N VAL A 431 24.883 19.561 -9.818 1.00 11.22 N ATOM 1138 CA VAL A 431 24.782 18.224 -10.365 1.00 60.22 C ATOM 1139 C VAL A 431 25.679 18.164 -11.585 1.00 32.45 C ATOM 1140 O VAL A 431 25.519 18.964 -12.508 1.00 40.12 O ATOM 1141 CB VAL A 431 23.340 17.848 -10.810 1.00 64.55 C ATOM 1142 CG1 VAL A 431 23.312 16.417 -11.307 1.00 74.22 C ATOM 1143 CG2 VAL A 431 22.330 18.034 -9.692 1.00 1.00 C ATOM 0 H VAL A 431 24.876 20.293 -10.528 1.00 11.22 H new ATOM 0 HA VAL A 431 25.073 17.521 -9.584 1.00 60.22 H new ATOM 0 HB VAL A 431 23.057 18.523 -11.618 1.00 64.55 H new ATOM 0 HG11 VAL A 431 22.299 16.159 -11.617 1.00 74.22 H new ATOM 0 HG12 VAL A 431 23.989 16.313 -12.155 1.00 74.22 H new ATOM 0 HG13 VAL A 431 23.628 15.748 -10.507 1.00 74.22 H new ATOM 0 HG21 VAL A 431 21.337 17.759 -10.049 1.00 1.00 H new ATOM 0 HG22 VAL A 431 22.601 17.400 -8.848 1.00 1.00 H new ATOM 0 HG23 VAL A 431 22.326 19.077 -9.375 1.00 1.00 H new ATOM 1153 N LEU A 432 26.605 17.252 -11.601 1.00 14.04 N ATOM 1154 CA LEU A 432 27.539 17.175 -12.704 1.00 51.45 C ATOM 1155 C LEU A 432 27.708 15.735 -13.172 1.00 31.45 C ATOM 1156 O LEU A 432 27.911 14.839 -12.363 1.00 31.01 O ATOM 1157 CB LEU A 432 28.894 17.750 -12.264 1.00 72.44 C ATOM 1158 CG LEU A 432 29.979 17.852 -13.337 1.00 34.31 C ATOM 1159 CD1 LEU A 432 29.556 18.813 -14.433 1.00 64.20 C ATOM 1160 CD2 LEU A 432 31.294 18.294 -12.722 1.00 31.25 C ATOM 0 H LEU A 432 26.740 16.552 -10.872 1.00 14.04 H new ATOM 0 HA LEU A 432 27.148 17.758 -13.538 1.00 51.45 H new ATOM 0 HB2 LEU A 432 28.724 18.746 -11.856 1.00 72.44 H new ATOM 0 HB3 LEU A 432 29.277 17.134 -11.451 1.00 72.44 H new ATOM 0 HG LEU A 432 30.119 16.866 -13.779 1.00 34.31 H new ATOM 0 HD11 LEU A 432 30.341 18.873 -15.187 1.00 64.20 H new ATOM 0 HD12 LEU A 432 28.635 18.456 -14.894 1.00 64.20 H new ATOM 0 HD13 LEU A 432 29.388 19.801 -14.005 1.00 64.20 H new ATOM 0 HD21 LEU A 432 32.055 18.361 -13.500 1.00 31.25 H new ATOM 0 HD22 LEU A 432 31.167 19.270 -12.253 1.00 31.25 H new ATOM 0 HD23 LEU A 432 31.606 17.569 -11.971 1.00 31.25 H new ATOM 1172 N GLU A 433 27.607 15.511 -14.461 1.00 50.15 N ATOM 1173 CA GLU A 433 27.837 14.188 -15.012 1.00 31.43 C ATOM 1174 C GLU A 433 29.327 14.046 -15.276 1.00 24.13 C ATOM 1175 O GLU A 433 29.860 14.643 -16.221 1.00 31.43 O ATOM 1176 CB GLU A 433 27.057 13.987 -16.315 1.00 73.10 C ATOM 1177 CG GLU A 433 27.261 12.616 -16.960 1.00 0.51 C ATOM 1178 CD GLU A 433 26.629 12.527 -18.321 1.00 35.11 C ATOM 1179 OE1 GLU A 433 27.238 13.025 -19.290 1.00 0.45 O ATOM 1180 OE2 GLU A 433 25.546 11.965 -18.456 1.00 31.12 O ATOM 0 H GLU A 433 27.368 16.224 -15.150 1.00 50.15 H new ATOM 0 HA GLU A 433 27.494 13.434 -14.304 1.00 31.43 H new ATOM 0 HB2 GLU A 433 25.995 14.128 -16.115 1.00 73.10 H new ATOM 0 HB3 GLU A 433 27.353 14.759 -17.026 1.00 73.10 H new ATOM 0 HG2 GLU A 433 28.328 12.411 -17.043 1.00 0.51 H new ATOM 0 HG3 GLU A 433 26.838 11.846 -16.314 1.00 0.51 H new ATOM 1187 N ALA A 434 30.002 13.297 -14.444 1.00 4.11 N ATOM 1188 CA ALA A 434 31.441 13.163 -14.559 1.00 32.35 C ATOM 1189 C ALA A 434 31.839 11.709 -14.562 1.00 62.10 C ATOM 1190 O ALA A 434 33.016 11.369 -14.481 1.00 24.02 O ATOM 1191 CB ALA A 434 32.096 13.880 -13.405 1.00 40.42 C ATOM 0 H ALA A 434 29.584 12.769 -13.678 1.00 4.11 H new ATOM 0 HA ALA A 434 31.769 13.606 -15.499 1.00 32.35 H new ATOM 0 HB1 ALA A 434 33.179 13.784 -13.484 1.00 40.42 H new ATOM 0 HB2 ALA A 434 31.823 14.935 -13.430 1.00 40.42 H new ATOM 0 HB3 ALA A 434 31.761 13.440 -12.466 1.00 40.42 H new ATOM 1197 N GLN A 435 30.859 10.863 -14.646 1.00 34.04 N ATOM 1198 CA GLN A 435 31.075 9.462 -14.654 1.00 32.52 C ATOM 1199 C GLN A 435 30.195 8.882 -15.781 1.00 72.14 C ATOM 1200 O GLN A 435 29.632 9.650 -16.565 1.00 45.40 O ATOM 1201 CB GLN A 435 30.633 8.902 -13.313 1.00 54.24 C ATOM 1202 CG GLN A 435 31.364 7.663 -12.906 1.00 14.21 C ATOM 1203 CD GLN A 435 30.755 6.978 -11.699 1.00 53.31 C ATOM 1204 OE1 GLN A 435 29.915 6.109 -11.841 1.00 24.55 O ATOM 1205 NE2 GLN A 435 31.156 7.367 -10.523 1.00 1.15 N ATOM 0 H GLN A 435 29.878 11.136 -14.711 1.00 34.04 H new ATOM 0 HA GLN A 435 32.123 9.210 -14.817 1.00 32.52 H new ATOM 0 HB2 GLN A 435 30.775 9.664 -12.547 1.00 54.24 H new ATOM 0 HB3 GLN A 435 29.565 8.686 -13.354 1.00 54.24 H new ATOM 0 HG2 GLN A 435 31.377 6.965 -13.743 1.00 14.21 H new ATOM 0 HG3 GLN A 435 32.401 7.917 -12.687 1.00 14.21 H new ATOM 0 HE21 GLN A 435 31.862 8.098 -10.441 1.00 1.15 H new ATOM 0 HE22 GLN A 435 30.764 6.940 -9.684 1.00 1.15 H new ATOM 1214 N LYS A 436 30.068 7.559 -15.845 1.00 35.43 N ATOM 1215 CA LYS A 436 29.246 6.859 -16.855 1.00 51.55 C ATOM 1216 C LYS A 436 27.747 7.181 -16.802 1.00 31.34 C ATOM 1217 O LYS A 436 26.963 6.440 -16.228 1.00 1.54 O ATOM 1218 CB LYS A 436 29.529 5.329 -16.872 1.00 73.23 C ATOM 1219 CG LYS A 436 29.873 4.688 -15.494 1.00 51.44 C ATOM 1220 CD LYS A 436 28.790 4.814 -14.400 1.00 4.34 C ATOM 1221 CE LYS A 436 27.554 3.970 -14.662 1.00 60.50 C ATOM 1222 NZ LYS A 436 26.579 4.078 -13.538 1.00 73.45 N ATOM 0 H LYS A 436 30.534 6.927 -15.194 1.00 35.43 H new ATOM 0 HA LYS A 436 29.570 7.265 -17.813 1.00 51.55 H new ATOM 0 HB2 LYS A 436 28.655 4.821 -17.280 1.00 73.23 H new ATOM 0 HB3 LYS A 436 30.356 5.139 -17.556 1.00 73.23 H new ATOM 0 HG2 LYS A 436 30.082 3.630 -15.650 1.00 51.44 H new ATOM 0 HG3 LYS A 436 30.791 5.143 -15.123 1.00 51.44 H new ATOM 0 HD2 LYS A 436 29.220 4.525 -13.441 1.00 4.34 H new ATOM 0 HD3 LYS A 436 28.493 5.859 -14.314 1.00 4.34 H new ATOM 0 HE2 LYS A 436 27.081 4.292 -15.590 1.00 60.50 H new ATOM 0 HE3 LYS A 436 27.844 2.928 -14.797 1.00 60.50 H new ATOM 0 HZ1 LYS A 436 25.867 3.325 -13.623 1.00 73.45 H new ATOM 0 HZ2 LYS A 436 27.081 3.979 -12.632 1.00 73.45 H new ATOM 0 HZ3 LYS A 436 26.109 5.005 -13.574 1.00 73.45 H new ATOM 1236 N CYS A 437 27.375 8.331 -17.377 1.00 12.20 N ATOM 1237 CA CYS A 437 25.986 8.816 -17.385 1.00 34.41 C ATOM 1238 C CYS A 437 25.452 8.923 -15.958 1.00 33.31 C ATOM 1239 O CYS A 437 24.238 8.899 -15.721 1.00 10.24 O ATOM 1240 CB CYS A 437 25.103 7.897 -18.242 1.00 44.31 C ATOM 1241 SG CYS A 437 25.619 7.801 -19.998 1.00 44.14 S ATOM 0 H CYS A 437 28.029 8.954 -17.851 1.00 12.20 H new ATOM 0 HA CYS A 437 25.963 9.812 -17.828 1.00 34.41 H new ATOM 0 HB2 CYS A 437 25.116 6.895 -17.814 1.00 44.31 H new ATOM 0 HB3 CYS A 437 24.073 8.251 -18.195 1.00 44.31 H new ATOM 1246 N GLU A 438 26.373 9.061 -15.016 1.00 11.12 N ATOM 1247 CA GLU A 438 26.036 9.170 -13.639 1.00 25.24 C ATOM 1248 C GLU A 438 26.207 10.594 -13.221 1.00 13.43 C ATOM 1249 O GLU A 438 27.285 11.198 -13.402 1.00 33.52 O ATOM 1250 CB GLU A 438 26.878 8.224 -12.772 1.00 60.44 C ATOM 1251 CG GLU A 438 26.448 8.169 -11.310 1.00 12.42 C ATOM 1252 CD GLU A 438 27.162 7.087 -10.533 1.00 13.41 C ATOM 1253 OE1 GLU A 438 26.870 5.890 -10.770 1.00 74.23 O ATOM 1254 OE2 GLU A 438 27.986 7.401 -9.656 1.00 53.33 O ATOM 0 H GLU A 438 27.375 9.099 -15.205 1.00 11.12 H new ATOM 0 HA GLU A 438 24.998 8.870 -13.496 1.00 25.24 H new ATOM 0 HB2 GLU A 438 26.825 7.220 -13.193 1.00 60.44 H new ATOM 0 HB3 GLU A 438 27.921 8.536 -12.821 1.00 60.44 H new ATOM 0 HG2 GLU A 438 26.641 9.134 -10.842 1.00 12.42 H new ATOM 0 HG3 GLU A 438 25.373 7.999 -11.258 1.00 12.42 H new ATOM 1261 N TYR A 439 25.166 11.126 -12.697 1.00 53.31 N ATOM 1262 CA TYR A 439 25.120 12.486 -12.293 1.00 62.22 C ATOM 1263 C TYR A 439 25.453 12.616 -10.837 1.00 1.51 C ATOM 1264 O TYR A 439 24.779 12.043 -9.977 1.00 12.12 O ATOM 1265 CB TYR A 439 23.744 13.071 -12.601 1.00 20.05 C ATOM 1266 CG TYR A 439 23.462 13.197 -14.079 1.00 24.25 C ATOM 1267 CD1 TYR A 439 23.150 12.084 -14.849 1.00 10.15 C ATOM 1268 CD2 TYR A 439 23.511 14.430 -14.703 1.00 71.14 C ATOM 1269 CE1 TYR A 439 22.898 12.202 -16.195 1.00 5.25 C ATOM 1270 CE2 TYR A 439 23.258 14.554 -16.048 1.00 20.42 C ATOM 1271 CZ TYR A 439 22.952 13.443 -16.787 1.00 55.45 C ATOM 1272 OH TYR A 439 22.694 13.575 -18.122 1.00 4.42 O ATOM 0 H TYR A 439 24.298 10.616 -12.532 1.00 53.31 H new ATOM 0 HA TYR A 439 25.867 13.049 -12.853 1.00 62.22 H new ATOM 0 HB2 TYR A 439 22.980 12.441 -12.145 1.00 20.05 H new ATOM 0 HB3 TYR A 439 23.664 14.055 -12.138 1.00 20.05 H new ATOM 0 HD1 TYR A 439 23.105 11.111 -14.383 1.00 10.15 H new ATOM 0 HD2 TYR A 439 23.752 15.309 -14.124 1.00 71.14 H new ATOM 0 HE1 TYR A 439 22.660 11.328 -16.783 1.00 5.25 H new ATOM 0 HE2 TYR A 439 23.300 15.524 -16.520 1.00 20.42 H new ATOM 0 HH TYR A 439 22.774 14.517 -18.379 1.00 4.42 H new ATOM 1282 N LEU A 440 26.505 13.347 -10.574 1.00 73.51 N ATOM 1283 CA LEU A 440 26.973 13.586 -9.234 1.00 4.13 C ATOM 1284 C LEU A 440 26.123 14.694 -8.650 1.00 74.43 C ATOM 1285 O LEU A 440 26.227 15.847 -9.076 1.00 71.25 O ATOM 1286 CB LEU A 440 28.442 14.052 -9.253 1.00 52.42 C ATOM 1287 CG LEU A 440 29.451 13.195 -10.043 1.00 54.42 C ATOM 1288 CD1 LEU A 440 30.837 13.791 -9.944 1.00 50.05 C ATOM 1289 CD2 LEU A 440 29.461 11.761 -9.566 1.00 11.14 C ATOM 0 H LEU A 440 27.068 13.799 -11.294 1.00 73.51 H new ATOM 0 HA LEU A 440 26.903 12.671 -8.646 1.00 4.13 H new ATOM 0 HB2 LEU A 440 28.469 15.063 -9.659 1.00 52.42 H new ATOM 0 HB3 LEU A 440 28.789 14.114 -8.221 1.00 52.42 H new ATOM 0 HG LEU A 440 29.137 13.194 -11.087 1.00 54.42 H new ATOM 0 HD11 LEU A 440 31.539 13.175 -10.507 1.00 50.05 H new ATOM 0 HD12 LEU A 440 30.829 14.800 -10.355 1.00 50.05 H new ATOM 0 HD13 LEU A 440 31.144 13.828 -8.899 1.00 50.05 H new ATOM 0 HD21 LEU A 440 30.185 11.189 -10.147 1.00 11.14 H new ATOM 0 HD22 LEU A 440 29.737 11.730 -8.512 1.00 11.14 H new ATOM 0 HD23 LEU A 440 28.469 11.328 -9.695 1.00 11.14 H new ATOM 1301 N ILE A 441 25.271 14.354 -7.742 1.00 43.55 N ATOM 1302 CA ILE A 441 24.389 15.306 -7.132 1.00 23.41 C ATOM 1303 C ILE A 441 24.992 15.757 -5.810 1.00 4.12 C ATOM 1304 O ILE A 441 25.208 14.955 -4.913 1.00 42.31 O ATOM 1305 CB ILE A 441 22.989 14.687 -6.901 1.00 53.43 C ATOM 1306 CG1 ILE A 441 22.430 14.143 -8.223 1.00 55.14 C ATOM 1307 CG2 ILE A 441 22.045 15.726 -6.323 1.00 30.35 C ATOM 1308 CD1 ILE A 441 21.108 13.428 -8.084 1.00 53.32 C ATOM 0 H ILE A 441 25.162 13.401 -7.396 1.00 43.55 H new ATOM 0 HA ILE A 441 24.269 16.163 -7.794 1.00 23.41 H new ATOM 0 HB ILE A 441 23.081 13.865 -6.191 1.00 53.43 H new ATOM 0 HG12 ILE A 441 22.312 14.970 -8.923 1.00 55.14 H new ATOM 0 HG13 ILE A 441 23.158 13.458 -8.659 1.00 55.14 H new ATOM 0 HG21 ILE A 441 21.064 15.278 -6.165 1.00 30.35 H new ATOM 0 HG22 ILE A 441 22.437 16.085 -5.372 1.00 30.35 H new ATOM 0 HG23 ILE A 441 21.955 16.562 -7.017 1.00 30.35 H new ATOM 0 HD11 ILE A 441 20.781 13.074 -9.062 1.00 53.32 H new ATOM 0 HD12 ILE A 441 21.223 12.579 -7.410 1.00 53.32 H new ATOM 0 HD13 ILE A 441 20.364 14.114 -7.679 1.00 53.32 H new ATOM 1320 N LYS A 442 25.257 17.025 -5.702 1.00 45.32 N ATOM 1321 CA LYS A 442 25.923 17.584 -4.547 1.00 11.41 C ATOM 1322 C LYS A 442 24.853 18.340 -3.742 1.00 14.30 C ATOM 1323 O LYS A 442 24.287 19.335 -4.229 1.00 14.14 O ATOM 1324 CB LYS A 442 27.017 18.528 -5.110 1.00 14.42 C ATOM 1325 CG LYS A 442 28.239 18.831 -4.231 1.00 34.41 C ATOM 1326 CD LYS A 442 27.997 19.785 -3.077 1.00 24.53 C ATOM 1327 CE LYS A 442 29.335 20.073 -2.393 1.00 13.35 C ATOM 1328 NZ LYS A 442 29.258 21.136 -1.376 1.00 34.34 N ATOM 0 H LYS A 442 25.018 17.713 -6.416 1.00 45.32 H new ATOM 0 HA LYS A 442 26.387 16.849 -3.890 1.00 11.41 H new ATOM 0 HB2 LYS A 442 27.378 18.099 -6.045 1.00 14.42 H new ATOM 0 HB3 LYS A 442 26.542 19.477 -5.358 1.00 14.42 H new ATOM 0 HG2 LYS A 442 28.616 17.891 -3.829 1.00 34.41 H new ATOM 0 HG3 LYS A 442 29.025 19.246 -4.863 1.00 34.41 H new ATOM 0 HD2 LYS A 442 27.550 20.711 -3.439 1.00 24.53 H new ATOM 0 HD3 LYS A 442 27.295 19.349 -2.366 1.00 24.53 H new ATOM 0 HE2 LYS A 442 29.699 19.159 -1.925 1.00 13.35 H new ATOM 0 HE3 LYS A 442 30.067 20.357 -3.149 1.00 13.35 H new ATOM 0 HZ1 LYS A 442 30.097 21.746 -1.447 1.00 34.34 H new ATOM 0 HZ2 LYS A 442 28.402 21.705 -1.533 1.00 34.34 H new ATOM 0 HZ3 LYS A 442 29.220 20.708 -0.429 1.00 34.34 H new ATOM 1342 N MET A 443 24.553 17.860 -2.533 1.00 62.31 N ATOM 1343 CA MET A 443 23.451 18.382 -1.741 1.00 42.24 C ATOM 1344 C MET A 443 23.768 18.444 -0.283 1.00 23.03 C ATOM 1345 O MET A 443 24.828 18.009 0.187 1.00 15.53 O ATOM 1346 CB MET A 443 22.191 17.503 -1.863 1.00 54.35 C ATOM 1347 CG MET A 443 21.445 17.565 -3.163 1.00 63.55 C ATOM 1348 SD MET A 443 19.982 16.507 -3.162 1.00 65.13 S ATOM 1349 CE MET A 443 19.070 17.198 -1.768 1.00 41.20 C ATOM 0 H MET A 443 25.067 17.103 -2.083 1.00 62.31 H new ATOM 0 HA MET A 443 23.279 19.382 -2.138 1.00 42.24 H new ATOM 0 HB2 MET A 443 22.481 16.467 -1.687 1.00 54.35 H new ATOM 0 HB3 MET A 443 21.504 17.781 -1.064 1.00 54.35 H new ATOM 0 HG2 MET A 443 21.146 18.595 -3.360 1.00 63.55 H new ATOM 0 HG3 MET A 443 22.108 17.265 -3.975 1.00 63.55 H new ATOM 0 HE1 MET A 443 18.078 16.748 -1.723 1.00 41.20 H new ATOM 0 HE2 MET A 443 19.606 16.988 -0.842 1.00 41.20 H new ATOM 0 HE3 MET A 443 18.974 18.276 -1.895 1.00 41.20 H new ATOM 1359 N LYS A 444 22.816 18.966 0.427 1.00 25.20 N ATOM 1360 CA LYS A 444 22.819 19.042 1.833 1.00 73.33 C ATOM 1361 C LYS A 444 21.381 19.165 2.283 1.00 22.13 C ATOM 1362 O LYS A 444 20.572 19.789 1.593 1.00 12.22 O ATOM 1363 CB LYS A 444 23.654 20.217 2.313 1.00 45.25 C ATOM 1364 CG LYS A 444 23.233 21.562 1.809 1.00 41.12 C ATOM 1365 CD LYS A 444 24.200 22.573 2.307 1.00 23.32 C ATOM 1366 CE LYS A 444 23.721 23.979 2.019 1.00 33.12 C ATOM 1367 NZ LYS A 444 24.591 24.995 2.624 1.00 3.23 N ATOM 0 H LYS A 444 21.978 19.368 0.007 1.00 25.20 H new ATOM 0 HA LYS A 444 23.270 18.148 2.263 1.00 73.33 H new ATOM 0 HB2 LYS A 444 23.631 20.234 3.403 1.00 45.25 H new ATOM 0 HB3 LYS A 444 24.690 20.047 2.019 1.00 45.25 H new ATOM 0 HG2 LYS A 444 23.206 21.567 0.719 1.00 41.12 H new ATOM 0 HG3 LYS A 444 22.226 21.798 2.154 1.00 41.12 H new ATOM 0 HD2 LYS A 444 24.341 22.447 3.380 1.00 23.32 H new ATOM 0 HD3 LYS A 444 25.171 22.414 1.837 1.00 23.32 H new ATOM 0 HE2 LYS A 444 23.680 24.133 0.941 1.00 33.12 H new ATOM 0 HE3 LYS A 444 22.706 24.100 2.397 1.00 33.12 H new ATOM 0 HZ1 LYS A 444 24.225 25.943 2.401 1.00 3.23 H new ATOM 0 HZ2 LYS A 444 24.611 24.865 3.656 1.00 3.23 H new ATOM 0 HZ3 LYS A 444 25.554 24.898 2.244 1.00 3.23 H new ATOM 1381 N SER A 445 21.050 18.530 3.384 1.00 72.42 N ATOM 1382 CA SER A 445 19.712 18.572 3.906 1.00 62.51 C ATOM 1383 C SER A 445 19.709 18.090 5.353 1.00 11.35 C ATOM 1384 O SER A 445 20.601 17.320 5.752 1.00 61.44 O ATOM 1385 CB SER A 445 18.802 17.682 3.048 1.00 23.03 C ATOM 1386 OG SER A 445 19.280 16.347 3.011 1.00 44.50 O ATOM 0 H SER A 445 21.701 17.973 3.938 1.00 72.42 H new ATOM 0 HA SER A 445 19.340 19.596 3.877 1.00 62.51 H new ATOM 0 HB2 SER A 445 17.789 17.698 3.450 1.00 23.03 H new ATOM 0 HB3 SER A 445 18.749 18.081 2.035 1.00 23.03 H new ATOM 0 HG SER A 445 18.682 15.801 2.460 1.00 44.50 H new ATOM 1392 N PRO A 446 18.752 18.549 6.170 1.00 41.11 N ATOM 1393 CA PRO A 446 18.613 18.097 7.558 1.00 34.44 C ATOM 1394 C PRO A 446 18.050 16.671 7.626 1.00 44.45 C ATOM 1395 O PRO A 446 18.322 15.922 8.569 1.00 2.45 O ATOM 1396 CB PRO A 446 17.613 19.089 8.156 1.00 74.45 C ATOM 1397 CG PRO A 446 16.804 19.549 6.994 1.00 50.25 C ATOM 1398 CD PRO A 446 17.748 19.586 5.829 1.00 43.24 C ATOM 0 HA PRO A 446 19.567 18.069 8.085 1.00 34.44 H new ATOM 0 HB2 PRO A 446 16.987 18.615 8.912 1.00 74.45 H new ATOM 0 HB3 PRO A 446 18.122 19.922 8.640 1.00 74.45 H new ATOM 0 HG2 PRO A 446 15.973 18.870 6.803 1.00 50.25 H new ATOM 0 HG3 PRO A 446 16.375 20.533 7.181 1.00 50.25 H new ATOM 0 HD2 PRO A 446 17.239 19.360 4.892 1.00 43.24 H new ATOM 0 HD3 PRO A 446 18.207 20.568 5.714 1.00 43.24 H new