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 374 TYR OH : rot 180:sc= -0.46 USER MOD Set 1.2: A 384 GLN : amide:sc= -0.863 K(o=-1.3,f=-2.9!) USER MOD Set 2.1: A 379 TYR OH : rot -156:sc= 0.601 USER MOD Set 2.2: A 395 GLN : amide:sc= 0.554 K(o=1.2,f=-0.24) USER MOD Set 3.1: A 365 THR OG1 : rot 21:sc= -0.624 USER MOD Set 3.2: A 443 MET CE :methyl 166:sc= -0.942 (180deg=-1.91!) 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 -6:sc= 1.16 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN : amide:sc= -5.03! C(o=-5!,f=-3.3!) USER MOD Single : A 386 SER OG : rot 94:sc= 1.29 USER MOD Single : A 391 ASN : amide:sc= -6.4! K(o=-6.4!,f=-0.46) USER MOD Single : A 394 SER OG : rot 180:sc= -0.114 USER MOD Single : A 398 ASN : amide:sc= 0.0079 K(o=0.0079,f=-3.3!) USER MOD Single : A 401 LYS NZ :NH3+ 178:sc= 1.08 (180deg=1.02) USER MOD Single : A 402 TYR OH : rot 15:sc= -1.89! USER MOD Single : A 404 ASN : amide:sc=-0.00156 K(o=-0.0016,f=-0.91) USER MOD Single : A 406 GLN : amide:sc= -0.697 X(o=-0.7,f=-0.28) USER MOD Single : A 407 SER OG : rot 180:sc= 0.00379 USER MOD Single : A 415 SER OG : rot -170:sc= -0.905! USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 422 CYS SG : rot 36:sc= 0.524 USER MOD Single : A 426 ASN : amide:sc= -0.0626 K(o=-0.063,f=-0.85) USER MOD Single : A 430 SER OG : rot 180:sc= -0.15 USER MOD Single : A 435 GLN : amide:sc= -0.0663 K(o=-0.066,f=-0.8) USER MOD Single : A 436 LYS NZ :NH3+ 179:sc= 0.916 (180deg=0.898) USER MOD Single : A 439 TYR OH : rot -98:sc= 1.27 USER MOD Single : A 442 LYS NZ :NH3+ 168:sc= -0.0208 (180deg=-0.246) 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 13.107 17.380 -3.700 1.00 12.33 N ATOM 139 CA THR A 365 13.746 18.644 -3.915 1.00 63.44 C ATOM 140 C THR A 365 13.808 18.864 -5.415 1.00 12.41 C ATOM 141 O THR A 365 14.047 17.917 -6.157 1.00 63.25 O ATOM 142 CB THR A 365 15.170 18.611 -3.333 1.00 33.42 C ATOM 143 OG1 THR A 365 15.107 18.110 -1.993 1.00 51.11 O ATOM 144 CG2 THR A 365 15.767 20.007 -3.294 1.00 51.31 C ATOM 0 HA THR A 365 13.195 19.448 -3.427 1.00 63.44 H new ATOM 0 HB THR A 365 15.792 17.974 -3.962 1.00 33.42 H new ATOM 0 HG1 THR A 365 14.276 17.604 -1.872 1.00 51.11 H new ATOM 0 HG21 THR A 365 16.774 19.961 -2.879 1.00 51.31 H new ATOM 0 HG22 THR A 365 15.809 20.413 -4.305 1.00 51.31 H new ATOM 0 HG23 THR A 365 15.147 20.651 -2.670 1.00 51.31 H new ATOM 152 N LYS A 366 13.589 20.068 -5.873 1.00 43.42 N ATOM 153 CA LYS A 366 13.588 20.296 -7.282 1.00 21.30 C ATOM 154 C LYS A 366 14.178 21.622 -7.569 1.00 15.13 C ATOM 155 O LYS A 366 13.851 22.615 -6.906 1.00 12.41 O ATOM 156 CB LYS A 366 12.186 20.142 -7.913 1.00 50.01 C ATOM 157 CG LYS A 366 11.130 21.117 -7.422 1.00 50.40 C ATOM 158 CD LYS A 366 9.804 20.855 -8.113 1.00 73.54 C ATOM 159 CE LYS A 366 8.741 21.849 -7.688 1.00 53.20 C ATOM 160 NZ LYS A 366 7.428 21.546 -8.297 1.00 34.22 N ATOM 0 H LYS A 366 13.412 20.891 -5.296 1.00 43.42 H new ATOM 0 HA LYS A 366 14.202 19.525 -7.748 1.00 21.30 H new ATOM 0 HB2 LYS A 366 12.280 20.251 -8.993 1.00 50.01 H new ATOM 0 HB3 LYS A 366 11.833 19.128 -7.725 1.00 50.01 H new ATOM 0 HG2 LYS A 366 11.010 21.020 -6.343 1.00 50.40 H new ATOM 0 HG3 LYS A 366 11.452 22.140 -7.616 1.00 50.40 H new ATOM 0 HD2 LYS A 366 9.940 20.908 -9.193 1.00 73.54 H new ATOM 0 HD3 LYS A 366 9.468 19.844 -7.884 1.00 73.54 H new ATOM 0 HE2 LYS A 366 8.648 21.839 -6.602 1.00 53.20 H new ATOM 0 HE3 LYS A 366 9.050 22.855 -7.973 1.00 53.20 H new ATOM 0 HZ1 LYS A 366 6.729 22.248 -7.982 1.00 34.22 H new ATOM 0 HZ2 LYS A 366 7.510 21.580 -9.333 1.00 34.22 H new ATOM 0 HZ3 LYS A 366 7.121 20.596 -8.005 1.00 34.22 H new ATOM 174 N ARG A 367 15.053 21.661 -8.516 1.00 51.02 N ATOM 175 CA ARG A 367 15.717 22.868 -8.819 1.00 33.11 C ATOM 176 C ARG A 367 16.091 22.869 -10.279 1.00 0.41 C ATOM 177 O ARG A 367 16.278 21.806 -10.872 1.00 4.03 O ATOM 178 CB ARG A 367 16.919 23.003 -7.898 1.00 25.02 C ATOM 179 CG ARG A 367 17.495 24.387 -7.830 1.00 42.22 C ATOM 180 CD ARG A 367 18.385 24.550 -6.620 1.00 43.33 C ATOM 181 NE ARG A 367 18.886 25.939 -6.508 1.00 15.30 N ATOM 182 CZ ARG A 367 19.832 26.389 -5.657 1.00 51.23 C ATOM 183 NH1 ARG A 367 20.556 25.552 -4.943 1.00 12.05 N ATOM 184 NH2 ARG A 367 20.069 27.690 -5.566 1.00 73.01 N ATOM 0 H ARG A 367 15.321 20.863 -9.092 1.00 51.02 H new ATOM 0 HA ARG A 367 15.076 23.733 -8.652 1.00 33.11 H new ATOM 0 HB2 ARG A 367 16.629 22.694 -6.894 1.00 25.02 H new ATOM 0 HB3 ARG A 367 17.696 22.315 -8.231 1.00 25.02 H new ATOM 0 HG2 ARG A 367 18.067 24.591 -8.735 1.00 42.22 H new ATOM 0 HG3 ARG A 367 16.688 25.118 -7.792 1.00 42.22 H new ATOM 0 HD2 ARG A 367 17.831 24.287 -5.719 1.00 43.33 H new ATOM 0 HD3 ARG A 367 19.227 23.861 -6.689 1.00 43.33 H new ATOM 0 HE ARG A 367 18.474 26.626 -7.139 1.00 15.30 H new ATOM 0 HH11 ARG A 367 20.406 24.547 -5.029 1.00 12.05 H new ATOM 0 HH12 ARG A 367 21.267 25.909 -4.305 1.00 12.05 H new ATOM 0 HH21 ARG A 367 19.537 28.346 -6.138 1.00 73.01 H new ATOM 0 HH22 ARG A 367 20.783 28.035 -4.924 1.00 73.01 H new ATOM 198 N GLU A 368 16.202 24.029 -10.855 1.00 0.43 N ATOM 199 CA GLU A 368 16.441 24.141 -12.265 1.00 3.21 C ATOM 200 C GLU A 368 17.931 24.216 -12.499 1.00 21.33 C ATOM 201 O GLU A 368 18.562 25.220 -12.151 1.00 71.42 O ATOM 202 CB GLU A 368 15.797 25.453 -12.772 1.00 33.03 C ATOM 203 CG GLU A 368 15.870 25.680 -14.280 1.00 62.43 C ATOM 204 CD GLU A 368 14.948 24.776 -15.059 1.00 23.24 C ATOM 205 OE1 GLU A 368 15.139 23.564 -15.058 1.00 51.54 O ATOM 206 OE2 GLU A 368 13.983 25.280 -15.666 1.00 63.05 O ATOM 0 H GLU A 368 16.130 24.921 -10.365 1.00 0.43 H new ATOM 0 HA GLU A 368 16.019 23.283 -12.788 1.00 3.21 H new ATOM 0 HB2 GLU A 368 14.750 25.463 -12.471 1.00 33.03 H new ATOM 0 HB3 GLU A 368 16.281 26.292 -12.272 1.00 33.03 H new ATOM 0 HG2 GLU A 368 15.620 26.718 -14.498 1.00 62.43 H new ATOM 0 HG3 GLU A 368 16.895 25.521 -14.616 1.00 62.43 H new ATOM 213 N ILE A 369 18.510 23.176 -13.045 1.00 73.24 N ATOM 214 CA ILE A 369 19.902 23.239 -13.413 1.00 20.24 C ATOM 215 C ILE A 369 20.019 23.360 -14.927 1.00 30.42 C ATOM 216 O ILE A 369 19.527 22.498 -15.674 1.00 74.15 O ATOM 217 CB ILE A 369 20.776 22.056 -12.843 1.00 52.34 C ATOM 218 CG1 ILE A 369 20.925 22.131 -11.294 1.00 22.02 C ATOM 219 CG2 ILE A 369 22.145 21.992 -13.500 1.00 24.34 C ATOM 220 CD1 ILE A 369 19.685 21.807 -10.491 1.00 73.42 C ATOM 0 H ILE A 369 18.048 22.288 -13.242 1.00 73.24 H new ATOM 0 HA ILE A 369 20.320 24.129 -12.943 1.00 20.24 H new ATOM 0 HB ILE A 369 20.239 21.139 -13.086 1.00 52.34 H new ATOM 0 HG12 ILE A 369 21.718 21.447 -10.992 1.00 22.02 H new ATOM 0 HG13 ILE A 369 21.253 23.136 -11.029 1.00 22.02 H new ATOM 0 HG21 ILE A 369 22.713 21.163 -13.077 1.00 24.34 H new ATOM 0 HG22 ILE A 369 22.027 21.841 -14.573 1.00 24.34 H new ATOM 0 HG23 ILE A 369 22.678 22.926 -13.321 1.00 24.34 H new ATOM 0 HD11 ILE A 369 19.908 21.892 -9.427 1.00 73.42 H new ATOM 0 HD12 ILE A 369 18.890 22.505 -10.752 1.00 73.42 H new ATOM 0 HD13 ILE A 369 19.362 20.790 -10.714 1.00 73.42 H new ATOM 232 N GLY A 370 20.670 24.427 -15.370 1.00 23.14 N ATOM 233 CA GLY A 370 20.768 24.741 -16.781 1.00 52.21 C ATOM 234 C GLY A 370 19.403 25.018 -17.398 1.00 2.14 C ATOM 235 O GLY A 370 18.939 26.165 -17.403 1.00 44.03 O ATOM 0 H GLY A 370 21.142 25.095 -14.760 1.00 23.14 H new ATOM 0 HA2 GLY A 370 21.410 25.611 -16.915 1.00 52.21 H new ATOM 0 HA3 GLY A 370 21.242 23.911 -17.305 1.00 52.21 H new ATOM 239 N GLY A 371 18.762 23.985 -17.885 1.00 0.54 N ATOM 240 CA GLY A 371 17.452 24.125 -18.483 1.00 12.13 C ATOM 241 C GLY A 371 16.592 22.920 -18.193 1.00 72.41 C ATOM 242 O GLY A 371 15.513 22.736 -18.780 1.00 61.12 O ATOM 0 H GLY A 371 19.126 23.032 -17.880 1.00 0.54 H new ATOM 0 HA2 GLY A 371 16.967 25.023 -18.099 1.00 12.13 H new ATOM 0 HA3 GLY A 371 17.552 24.253 -19.561 1.00 12.13 H new ATOM 246 N TYR A 372 17.073 22.097 -17.305 1.00 70.40 N ATOM 247 CA TYR A 372 16.408 20.886 -16.912 1.00 71.31 C ATOM 248 C TYR A 372 16.270 20.805 -15.403 1.00 24.30 C ATOM 249 O TYR A 372 17.243 20.965 -14.660 1.00 41.32 O ATOM 250 CB TYR A 372 17.067 19.649 -17.558 1.00 2.42 C ATOM 251 CG TYR A 372 18.582 19.683 -17.596 1.00 62.21 C ATOM 252 CD1 TYR A 372 19.250 20.364 -18.612 1.00 40.02 C ATOM 253 CD2 TYR A 372 19.334 19.052 -16.647 1.00 54.54 C ATOM 254 CE1 TYR A 372 20.622 20.407 -18.660 1.00 25.43 C ATOM 255 CE2 TYR A 372 20.714 19.091 -16.694 1.00 15.44 C ATOM 256 CZ TYR A 372 21.348 19.766 -17.696 1.00 71.55 C ATOM 257 OH TYR A 372 22.725 19.799 -17.729 1.00 44.24 O ATOM 0 H TYR A 372 17.958 22.252 -16.823 1.00 70.40 H new ATOM 0 HA TYR A 372 15.389 20.901 -17.298 1.00 71.31 H new ATOM 0 HB2 TYR A 372 16.751 18.760 -17.012 1.00 2.42 H new ATOM 0 HB3 TYR A 372 16.694 19.547 -18.577 1.00 2.42 H new ATOM 0 HD1 TYR A 372 18.678 20.868 -19.377 1.00 40.02 H new ATOM 0 HD2 TYR A 372 18.843 18.515 -15.849 1.00 54.54 H new ATOM 0 HE1 TYR A 372 21.123 20.943 -19.453 1.00 25.43 H new ATOM 0 HE2 TYR A 372 21.293 18.586 -15.935 1.00 15.44 H new ATOM 0 HH TYR A 372 23.083 19.294 -16.969 1.00 44.24 H new ATOM 267 N THR A 373 15.070 20.567 -14.956 1.00 52.41 N ATOM 268 CA THR A 373 14.771 20.601 -13.558 1.00 42.32 C ATOM 269 C THR A 373 15.047 19.276 -12.921 1.00 1.02 C ATOM 270 O THR A 373 14.478 18.258 -13.302 1.00 73.05 O ATOM 271 CB THR A 373 13.312 21.027 -13.308 1.00 73.10 C ATOM 272 OG1 THR A 373 13.096 22.333 -13.881 1.00 34.25 O ATOM 273 CG2 THR A 373 12.992 21.078 -11.813 1.00 24.30 C ATOM 0 H THR A 373 14.273 20.344 -15.553 1.00 52.41 H new ATOM 0 HA THR A 373 15.422 21.346 -13.100 1.00 42.32 H new ATOM 0 HB THR A 373 12.657 20.290 -13.773 1.00 73.10 H new ATOM 0 HG1 THR A 373 13.948 22.694 -14.204 1.00 34.25 H new ATOM 0 HG21 THR A 373 11.955 21.382 -11.673 1.00 24.30 H new ATOM 0 HG22 THR A 373 13.143 20.092 -11.375 1.00 24.30 H new ATOM 0 HG23 THR A 373 13.650 21.797 -11.324 1.00 24.30 H new ATOM 281 N TYR A 374 15.910 19.302 -11.968 1.00 53.33 N ATOM 282 CA TYR A 374 16.282 18.150 -11.245 1.00 53.43 C ATOM 283 C TYR A 374 15.344 17.943 -10.102 1.00 25.32 C ATOM 284 O TYR A 374 15.125 18.854 -9.317 1.00 53.53 O ATOM 285 CB TYR A 374 17.704 18.297 -10.740 1.00 73.23 C ATOM 286 CG TYR A 374 18.776 17.990 -11.742 1.00 5.32 C ATOM 287 CD1 TYR A 374 19.218 18.937 -12.627 1.00 2.10 C ATOM 288 CD2 TYR A 374 19.367 16.736 -11.775 1.00 63.31 C ATOM 289 CE1 TYR A 374 20.220 18.655 -13.521 1.00 11.40 C ATOM 290 CE2 TYR A 374 20.367 16.445 -12.675 1.00 65.01 C ATOM 291 CZ TYR A 374 20.791 17.406 -13.542 1.00 51.24 C ATOM 292 OH TYR A 374 21.804 17.118 -14.442 1.00 51.23 O ATOM 0 H TYR A 374 16.387 20.151 -11.666 1.00 53.33 H new ATOM 0 HA TYR A 374 16.231 17.281 -11.901 1.00 53.43 H new ATOM 0 HB2 TYR A 374 17.842 19.319 -10.386 1.00 73.23 H new ATOM 0 HB3 TYR A 374 17.836 17.641 -9.879 1.00 73.23 H new ATOM 0 HD1 TYR A 374 18.771 19.920 -12.621 1.00 2.10 H new ATOM 0 HD2 TYR A 374 19.037 15.975 -11.083 1.00 63.31 H new ATOM 0 HE1 TYR A 374 20.560 19.415 -14.208 1.00 11.40 H new ATOM 0 HE2 TYR A 374 20.812 15.461 -12.694 1.00 65.01 H new ATOM 0 HH TYR A 374 22.095 16.190 -14.321 1.00 51.23 H new ATOM 302 N LYS A 375 14.782 16.770 -10.018 1.00 0.45 N ATOM 303 CA LYS A 375 13.909 16.436 -8.935 1.00 24.23 C ATOM 304 C LYS A 375 14.549 15.298 -8.221 1.00 1.44 C ATOM 305 O LYS A 375 14.801 14.265 -8.825 1.00 64.42 O ATOM 306 CB LYS A 375 12.550 15.944 -9.453 1.00 2.03 C ATOM 307 CG LYS A 375 11.518 15.716 -8.340 1.00 14.33 C ATOM 308 CD LYS A 375 10.298 14.912 -8.810 1.00 73.43 C ATOM 309 CE LYS A 375 9.687 15.472 -10.070 1.00 14.34 C ATOM 310 NZ LYS A 375 8.425 14.788 -10.436 1.00 25.43 N ATOM 0 H LYS A 375 14.917 16.022 -10.698 1.00 0.45 H new ATOM 0 HA LYS A 375 13.750 17.310 -8.304 1.00 24.23 H new ATOM 0 HB2 LYS A 375 12.154 16.672 -10.161 1.00 2.03 H new ATOM 0 HB3 LYS A 375 12.694 15.013 -10.001 1.00 2.03 H new ATOM 0 HG2 LYS A 375 11.995 15.192 -7.512 1.00 14.33 H new ATOM 0 HG3 LYS A 375 11.185 16.681 -7.957 1.00 14.33 H new ATOM 0 HD2 LYS A 375 10.594 13.877 -8.982 1.00 73.43 H new ATOM 0 HD3 LYS A 375 9.547 14.902 -8.020 1.00 73.43 H new ATOM 0 HE2 LYS A 375 9.495 16.536 -9.936 1.00 14.34 H new ATOM 0 HE3 LYS A 375 10.399 15.378 -10.889 1.00 14.34 H new ATOM 0 HZ1 LYS A 375 8.043 15.207 -11.308 1.00 25.43 H new ATOM 0 HZ2 LYS A 375 8.611 13.776 -10.591 1.00 25.43 H new ATOM 0 HZ3 LYS A 375 7.734 14.899 -9.667 1.00 25.43 H new ATOM 324 N VAL A 376 14.783 15.453 -6.974 1.00 51.20 N ATOM 325 CA VAL A 376 15.405 14.426 -6.209 1.00 2.40 C ATOM 326 C VAL A 376 14.434 13.904 -5.209 1.00 60.35 C ATOM 327 O VAL A 376 14.152 14.565 -4.212 1.00 32.40 O ATOM 328 CB VAL A 376 16.689 14.916 -5.480 1.00 53.12 C ATOM 329 CG1 VAL A 376 17.328 13.782 -4.682 1.00 0.32 C ATOM 330 CG2 VAL A 376 17.688 15.494 -6.470 1.00 32.01 C ATOM 0 H VAL A 376 14.551 16.295 -6.447 1.00 51.20 H new ATOM 0 HA VAL A 376 15.708 13.640 -6.901 1.00 2.40 H new ATOM 0 HB VAL A 376 16.398 15.704 -4.786 1.00 53.12 H new ATOM 0 HG11 VAL A 376 18.224 14.149 -4.181 1.00 0.32 H new ATOM 0 HG12 VAL A 376 16.620 13.417 -3.938 1.00 0.32 H new ATOM 0 HG13 VAL A 376 17.597 12.969 -5.356 1.00 0.32 H new ATOM 0 HG21 VAL A 376 18.577 15.830 -5.936 1.00 32.01 H new ATOM 0 HG22 VAL A 376 17.967 14.729 -7.194 1.00 32.01 H new ATOM 0 HG23 VAL A 376 17.237 16.339 -6.991 1.00 32.01 H new ATOM 340 N VAL A 377 13.874 12.758 -5.491 1.00 11.53 N ATOM 341 CA VAL A 377 12.993 12.151 -4.561 1.00 21.14 C ATOM 342 C VAL A 377 13.773 11.096 -3.830 1.00 33.54 C ATOM 343 O VAL A 377 14.089 10.034 -4.403 1.00 3.35 O ATOM 344 CB VAL A 377 11.769 11.487 -5.222 1.00 43.12 C ATOM 345 CG1 VAL A 377 10.757 11.075 -4.158 1.00 41.05 C ATOM 346 CG2 VAL A 377 11.136 12.386 -6.273 1.00 20.25 C ATOM 0 H VAL A 377 14.018 12.237 -6.356 1.00 11.53 H new ATOM 0 HA VAL A 377 12.610 12.929 -3.901 1.00 21.14 H new ATOM 0 HB VAL A 377 12.109 10.591 -5.741 1.00 43.12 H new ATOM 0 HG11 VAL A 377 9.896 10.607 -4.636 1.00 41.05 H new ATOM 0 HG12 VAL A 377 11.220 10.367 -3.471 1.00 41.05 H new ATOM 0 HG13 VAL A 377 10.431 11.956 -3.606 1.00 41.05 H new ATOM 0 HG21 VAL A 377 10.277 11.881 -6.714 1.00 20.25 H new ATOM 0 HG22 VAL A 377 10.810 13.316 -5.808 1.00 20.25 H new ATOM 0 HG23 VAL A 377 11.867 12.606 -7.051 1.00 20.25 H new ATOM 356 N PHE A 378 14.136 11.399 -2.611 1.00 32.41 N ATOM 357 CA PHE A 378 14.869 10.474 -1.778 1.00 11.05 C ATOM 358 C PHE A 378 14.157 9.147 -1.643 1.00 15.02 C ATOM 359 O PHE A 378 12.941 9.103 -1.401 1.00 34.13 O ATOM 360 CB PHE A 378 15.169 11.074 -0.408 1.00 52.43 C ATOM 361 CG PHE A 378 16.335 11.995 -0.353 1.00 11.34 C ATOM 362 CD1 PHE A 378 16.304 13.242 -0.948 1.00 24.05 C ATOM 363 CD2 PHE A 378 17.466 11.610 0.330 1.00 62.22 C ATOM 364 CE1 PHE A 378 17.393 14.082 -0.860 1.00 2.32 C ATOM 365 CE2 PHE A 378 18.552 12.435 0.421 1.00 45.23 C ATOM 366 CZ PHE A 378 18.522 13.679 -0.173 1.00 22.54 C ATOM 0 H PHE A 378 13.933 12.294 -2.165 1.00 32.41 H new ATOM 0 HA PHE A 378 15.819 10.284 -2.277 1.00 11.05 H new ATOM 0 HB2 PHE A 378 14.286 11.613 -0.066 1.00 52.43 H new ATOM 0 HB3 PHE A 378 15.338 10.260 0.297 1.00 52.43 H new ATOM 0 HD1 PHE A 378 15.422 13.560 -1.484 1.00 24.05 H new ATOM 0 HD2 PHE A 378 17.496 10.639 0.802 1.00 62.22 H new ATOM 0 HE1 PHE A 378 17.364 15.055 -1.328 1.00 2.32 H new ATOM 0 HE2 PHE A 378 19.432 12.113 0.957 1.00 45.23 H new ATOM 0 HZ PHE A 378 19.377 14.335 -0.102 1.00 22.54 H new ATOM 376 N TYR A 379 14.931 8.070 -1.860 1.00 44.43 N ATOM 377 CA TYR A 379 14.472 6.672 -1.755 1.00 13.04 C ATOM 378 C TYR A 379 13.638 6.232 -2.944 1.00 51.15 C ATOM 379 O TYR A 379 13.241 5.072 -3.044 1.00 5.34 O ATOM 380 CB TYR A 379 13.777 6.378 -0.418 1.00 53.43 C ATOM 381 CG TYR A 379 14.714 6.457 0.780 1.00 43.30 C ATOM 382 CD1 TYR A 379 15.104 7.681 1.305 1.00 1.22 C ATOM 383 CD2 TYR A 379 15.220 5.306 1.367 1.00 61.31 C ATOM 384 CE1 TYR A 379 15.965 7.764 2.378 1.00 4.04 C ATOM 385 CE2 TYR A 379 16.083 5.373 2.445 1.00 62.23 C ATOM 386 CZ TYR A 379 16.454 6.604 2.946 1.00 70.24 C ATOM 387 OH TYR A 379 17.317 6.673 4.022 1.00 1.34 O ATOM 0 H TYR A 379 15.915 8.147 -2.119 1.00 44.43 H new ATOM 0 HA TYR A 379 15.375 6.063 -1.776 1.00 13.04 H new ATOM 0 HB2 TYR A 379 12.960 7.086 -0.278 1.00 53.43 H new ATOM 0 HB3 TYR A 379 13.334 5.383 -0.458 1.00 53.43 H new ATOM 0 HD1 TYR A 379 14.724 8.590 0.862 1.00 1.22 H new ATOM 0 HD2 TYR A 379 14.935 4.341 0.975 1.00 61.31 H new ATOM 0 HE1 TYR A 379 16.255 8.727 2.771 1.00 4.04 H new ATOM 0 HE2 TYR A 379 16.465 4.467 2.892 1.00 62.23 H new ATOM 0 HH TYR A 379 17.855 5.855 4.063 1.00 1.34 H new ATOM 397 N GLU A 380 13.410 7.142 -3.851 1.00 51.24 N ATOM 398 CA GLU A 380 12.690 6.850 -5.058 1.00 4.45 C ATOM 399 C GLU A 380 13.579 6.927 -6.267 1.00 74.54 C ATOM 400 O GLU A 380 14.065 5.910 -6.741 1.00 23.13 O ATOM 401 CB GLU A 380 11.473 7.751 -5.213 1.00 12.31 C ATOM 402 CG GLU A 380 10.296 7.334 -4.387 1.00 70.13 C ATOM 403 CD GLU A 380 9.601 6.137 -4.981 1.00 13.11 C ATOM 404 OE1 GLU A 380 10.149 5.017 -4.940 1.00 32.42 O ATOM 405 OE2 GLU A 380 8.486 6.308 -5.530 1.00 60.34 O ATOM 0 H GLU A 380 13.720 8.111 -3.772 1.00 51.24 H new ATOM 0 HA GLU A 380 12.334 5.823 -4.978 1.00 4.45 H new ATOM 0 HB2 GLU A 380 11.751 8.769 -4.942 1.00 12.31 H new ATOM 0 HB3 GLU A 380 11.179 7.769 -6.262 1.00 12.31 H new ATOM 0 HG2 GLU A 380 10.625 7.100 -3.375 1.00 70.13 H new ATOM 0 HG3 GLU A 380 9.593 8.163 -4.309 1.00 70.13 H new ATOM 412 N ASN A 381 13.813 8.140 -6.751 1.00 60.30 N ATOM 413 CA ASN A 381 14.601 8.370 -7.961 1.00 21.43 C ATOM 414 C ASN A 381 14.705 9.834 -8.299 1.00 34.43 C ATOM 415 O ASN A 381 14.024 10.666 -7.691 1.00 25.41 O ATOM 416 CB ASN A 381 14.151 7.507 -9.181 1.00 65.23 C ATOM 417 CG ASN A 381 12.699 7.593 -9.615 1.00 53.22 C ATOM 418 OD1 ASN A 381 12.397 7.442 -10.784 1.00 74.32 O ATOM 419 ND2 ASN A 381 11.807 7.772 -8.698 1.00 45.02 N ATOM 0 H ASN A 381 13.463 8.994 -6.318 1.00 60.30 H new ATOM 0 HA ASN A 381 15.607 8.023 -7.724 1.00 21.43 H new ATOM 0 HB2 ASN A 381 14.772 7.784 -10.033 1.00 65.23 H new ATOM 0 HB3 ASN A 381 14.370 6.464 -8.952 1.00 65.23 H new ATOM 0 HD21 ASN A 381 10.818 7.790 -8.945 1.00 45.02 H new ATOM 0 HD22 ASN A 381 12.092 7.896 -7.726 1.00 45.02 H new ATOM 426 N VAL A 382 15.572 10.154 -9.247 1.00 73.22 N ATOM 427 CA VAL A 382 15.852 11.533 -9.608 1.00 61.31 C ATOM 428 C VAL A 382 15.556 11.770 -11.079 1.00 3.42 C ATOM 429 O VAL A 382 15.856 10.920 -11.929 1.00 14.01 O ATOM 430 CB VAL A 382 17.330 11.909 -9.306 1.00 14.12 C ATOM 431 CG1 VAL A 382 17.605 13.367 -9.656 1.00 41.24 C ATOM 432 CG2 VAL A 382 17.653 11.658 -7.850 1.00 40.03 C ATOM 0 H VAL A 382 16.099 9.467 -9.786 1.00 73.22 H new ATOM 0 HA VAL A 382 15.204 12.167 -9.003 1.00 61.31 H new ATOM 0 HB VAL A 382 17.969 11.279 -9.925 1.00 14.12 H new ATOM 0 HG11 VAL A 382 18.646 13.604 -9.435 1.00 41.24 H new ATOM 0 HG12 VAL A 382 17.413 13.529 -10.717 1.00 41.24 H new ATOM 0 HG13 VAL A 382 16.953 14.012 -9.067 1.00 41.24 H new ATOM 0 HG21 VAL A 382 18.691 11.927 -7.656 1.00 40.03 H new ATOM 0 HG22 VAL A 382 16.999 12.263 -7.223 1.00 40.03 H new ATOM 0 HG23 VAL A 382 17.502 10.603 -7.620 1.00 40.03 H new ATOM 442 N PHE A 383 14.985 12.913 -11.374 1.00 13.23 N ATOM 443 CA PHE A 383 14.592 13.256 -12.718 1.00 43.34 C ATOM 444 C PHE A 383 15.188 14.585 -13.120 1.00 54.13 C ATOM 445 O PHE A 383 15.604 15.365 -12.272 1.00 1.44 O ATOM 446 CB PHE A 383 13.065 13.391 -12.799 1.00 11.50 C ATOM 447 CG PHE A 383 12.311 12.189 -12.335 1.00 71.21 C ATOM 448 CD1 PHE A 383 11.991 11.181 -13.214 1.00 75.33 C ATOM 449 CD2 PHE A 383 11.924 12.072 -11.006 1.00 2.44 C ATOM 450 CE1 PHE A 383 11.300 10.073 -12.788 1.00 53.52 C ATOM 451 CE2 PHE A 383 11.233 10.972 -10.567 1.00 21.14 C ATOM 452 CZ PHE A 383 10.919 9.967 -11.460 1.00 64.22 C ATOM 0 H PHE A 383 14.779 13.635 -10.684 1.00 13.23 H new ATOM 0 HA PHE A 383 14.946 12.467 -13.381 1.00 43.34 H new ATOM 0 HB2 PHE A 383 12.757 14.250 -12.203 1.00 11.50 H new ATOM 0 HB3 PHE A 383 12.786 13.603 -13.831 1.00 11.50 H new ATOM 0 HD1 PHE A 383 12.286 11.261 -14.250 1.00 75.33 H new ATOM 0 HD2 PHE A 383 12.171 12.859 -10.309 1.00 2.44 H new ATOM 0 HE1 PHE A 383 11.054 9.287 -13.486 1.00 53.52 H new ATOM 0 HE2 PHE A 383 10.937 10.892 -9.531 1.00 21.14 H new ATOM 0 HZ PHE A 383 10.375 9.097 -11.123 1.00 64.22 H new ATOM 462 N GLN A 384 15.245 14.806 -14.403 1.00 75.23 N ATOM 463 CA GLN A 384 15.602 16.076 -14.994 1.00 1.14 C ATOM 464 C GLN A 384 14.609 16.425 -16.091 1.00 65.34 C ATOM 465 O GLN A 384 14.682 15.905 -17.210 1.00 4.35 O ATOM 466 CB GLN A 384 17.046 16.117 -15.498 1.00 32.11 C ATOM 467 CG GLN A 384 17.478 14.875 -16.257 1.00 62.15 C ATOM 468 CD GLN A 384 18.855 14.977 -16.882 1.00 3.04 C ATOM 469 OE1 GLN A 384 19.127 14.353 -17.896 1.00 11.25 O ATOM 470 NE2 GLN A 384 19.721 15.757 -16.300 1.00 42.32 N ATOM 0 H GLN A 384 15.038 14.085 -15.095 1.00 75.23 H new ATOM 0 HA GLN A 384 15.549 16.834 -14.212 1.00 1.14 H new ATOM 0 HB2 GLN A 384 17.168 16.985 -16.146 1.00 32.11 H new ATOM 0 HB3 GLN A 384 17.712 16.258 -14.647 1.00 32.11 H new ATOM 0 HG2 GLN A 384 17.462 14.023 -15.577 1.00 62.15 H new ATOM 0 HG3 GLN A 384 16.749 14.670 -17.041 1.00 62.15 H new ATOM 0 HE21 GLN A 384 19.462 16.265 -15.454 1.00 42.32 H new ATOM 0 HE22 GLN A 384 20.658 15.860 -16.690 1.00 42.32 H new ATOM 479 N ASP A 385 13.664 17.277 -15.734 1.00 42.42 N ATOM 480 CA ASP A 385 12.550 17.710 -16.596 1.00 33.12 C ATOM 481 C ASP A 385 11.613 16.564 -16.900 1.00 64.32 C ATOM 482 O ASP A 385 10.578 16.422 -16.268 1.00 12.10 O ATOM 483 CB ASP A 385 13.008 18.368 -17.905 1.00 0.11 C ATOM 484 CG ASP A 385 11.833 18.872 -18.731 1.00 14.25 C ATOM 485 OD1 ASP A 385 11.351 19.991 -18.482 1.00 23.15 O ATOM 486 OD2 ASP A 385 11.370 18.146 -19.632 1.00 52.35 O ATOM 0 H ASP A 385 13.640 17.707 -14.809 1.00 42.42 H new ATOM 0 HA ASP A 385 12.020 18.471 -16.024 1.00 33.12 H new ATOM 0 HB2 ASP A 385 13.675 19.200 -17.679 1.00 0.11 H new ATOM 0 HB3 ASP A 385 13.581 17.650 -18.491 1.00 0.11 H new ATOM 491 N SER A 386 11.996 15.755 -17.845 1.00 54.30 N ATOM 492 CA SER A 386 11.222 14.617 -18.262 1.00 41.32 C ATOM 493 C SER A 386 12.138 13.404 -18.432 1.00 54.40 C ATOM 494 O SER A 386 11.678 12.279 -18.637 1.00 4.22 O ATOM 495 CB SER A 386 10.513 14.944 -19.578 1.00 51.51 C ATOM 496 OG SER A 386 9.664 16.082 -19.426 1.00 12.43 O ATOM 0 H SER A 386 12.870 15.868 -18.358 1.00 54.30 H new ATOM 0 HA SER A 386 10.474 14.382 -17.505 1.00 41.32 H new ATOM 0 HB2 SER A 386 11.251 15.137 -20.356 1.00 51.51 H new ATOM 0 HB3 SER A 386 9.924 14.086 -19.902 1.00 51.51 H new ATOM 0 HG SER A 386 10.151 16.891 -19.688 1.00 12.43 H new ATOM 502 N ILE A 387 13.436 13.633 -18.319 1.00 53.54 N ATOM 503 CA ILE A 387 14.403 12.570 -18.464 1.00 21.24 C ATOM 504 C ILE A 387 14.762 12.033 -17.087 1.00 63.43 C ATOM 505 O ILE A 387 15.121 12.784 -16.189 1.00 4.23 O ATOM 506 CB ILE A 387 15.692 13.056 -19.198 1.00 12.23 C ATOM 507 CG1 ILE A 387 15.355 13.594 -20.609 1.00 1.43 C ATOM 508 CG2 ILE A 387 16.722 11.933 -19.289 1.00 72.42 C ATOM 509 CD1 ILE A 387 14.721 12.571 -21.542 1.00 31.25 C ATOM 0 H ILE A 387 13.840 14.550 -18.127 1.00 53.54 H new ATOM 0 HA ILE A 387 13.958 11.782 -19.072 1.00 21.24 H new ATOM 0 HB ILE A 387 16.121 13.870 -18.614 1.00 12.23 H new ATOM 0 HG12 ILE A 387 14.679 14.443 -20.508 1.00 1.43 H new ATOM 0 HG13 ILE A 387 16.270 13.968 -21.069 1.00 1.43 H new ATOM 0 HG21 ILE A 387 17.611 12.296 -19.804 1.00 72.42 H new ATOM 0 HG22 ILE A 387 16.993 11.605 -18.285 1.00 72.42 H new ATOM 0 HG23 ILE A 387 16.299 11.095 -19.842 1.00 72.42 H new ATOM 0 HD11 ILE A 387 14.519 13.035 -22.507 1.00 31.25 H new ATOM 0 HD12 ILE A 387 15.403 11.731 -21.678 1.00 31.25 H new ATOM 0 HD13 ILE A 387 13.787 12.213 -21.109 1.00 31.25 H new ATOM 521 N LEU A 388 14.614 10.762 -16.921 1.00 70.04 N ATOM 522 CA LEU A 388 14.932 10.088 -15.689 1.00 3.44 C ATOM 523 C LEU A 388 16.427 9.803 -15.590 1.00 54.22 C ATOM 524 O LEU A 388 17.031 9.307 -16.539 1.00 31.11 O ATOM 525 CB LEU A 388 14.118 8.785 -15.622 1.00 23.44 C ATOM 526 CG LEU A 388 14.503 7.754 -14.566 1.00 65.13 C ATOM 527 CD1 LEU A 388 14.317 8.297 -13.168 1.00 44.14 C ATOM 528 CD2 LEU A 388 13.701 6.485 -14.775 1.00 14.31 C ATOM 0 H LEU A 388 14.261 10.141 -17.649 1.00 70.04 H new ATOM 0 HA LEU A 388 14.672 10.727 -14.845 1.00 3.44 H new ATOM 0 HB2 LEU A 388 13.073 9.052 -15.463 1.00 23.44 H new ATOM 0 HB3 LEU A 388 14.179 8.303 -16.598 1.00 23.44 H new ATOM 0 HG LEU A 388 15.562 7.522 -14.677 1.00 65.13 H new ATOM 0 HD11 LEU A 388 14.601 7.536 -12.441 1.00 44.14 H new ATOM 0 HD12 LEU A 388 14.944 9.179 -13.034 1.00 44.14 H new ATOM 0 HD13 LEU A 388 13.272 8.569 -13.019 1.00 44.14 H new ATOM 0 HD21 LEU A 388 13.979 5.751 -14.019 1.00 14.31 H new ATOM 0 HD22 LEU A 388 12.638 6.709 -14.691 1.00 14.31 H new ATOM 0 HD23 LEU A 388 13.909 6.082 -15.766 1.00 14.31 H new ATOM 540 N LEU A 389 17.026 10.144 -14.456 1.00 13.12 N ATOM 541 CA LEU A 389 18.414 9.809 -14.223 1.00 3.54 C ATOM 542 C LEU A 389 18.528 8.347 -13.843 1.00 54.51 C ATOM 543 O LEU A 389 18.672 7.495 -14.700 1.00 53.24 O ATOM 544 CB LEU A 389 19.054 10.691 -13.142 1.00 41.23 C ATOM 545 CG LEU A 389 19.120 12.185 -13.434 1.00 73.11 C ATOM 546 CD1 LEU A 389 19.782 12.904 -12.288 1.00 52.34 C ATOM 547 CD2 LEU A 389 19.887 12.446 -14.713 1.00 13.21 C ATOM 0 H LEU A 389 16.573 10.647 -13.693 1.00 13.12 H new ATOM 0 HA LEU A 389 18.959 9.994 -15.149 1.00 3.54 H new ATOM 0 HB2 LEU A 389 18.500 10.549 -12.214 1.00 41.23 H new ATOM 0 HB3 LEU A 389 20.068 10.333 -12.966 1.00 41.23 H new ATOM 0 HG LEU A 389 18.103 12.558 -13.555 1.00 73.11 H new ATOM 0 HD11 LEU A 389 19.825 13.971 -12.505 1.00 52.34 H new ATOM 0 HD12 LEU A 389 19.207 12.742 -11.376 1.00 52.34 H new ATOM 0 HD13 LEU A 389 20.793 12.520 -12.153 1.00 52.34 H new ATOM 0 HD21 LEU A 389 19.923 13.519 -14.903 1.00 13.21 H new ATOM 0 HD22 LEU A 389 20.902 12.061 -14.614 1.00 13.21 H new ATOM 0 HD23 LEU A 389 19.389 11.946 -15.544 1.00 13.21 H new ATOM 559 N GLY A 390 18.367 8.060 -12.574 1.00 11.02 N ATOM 560 CA GLY A 390 18.496 6.712 -12.090 1.00 31.34 C ATOM 561 C GLY A 390 17.392 6.376 -11.138 1.00 50.42 C ATOM 562 O GLY A 390 16.524 7.198 -10.908 1.00 45.24 O ATOM 0 H GLY A 390 18.145 8.749 -11.855 1.00 11.02 H new ATOM 0 HA2 GLY A 390 18.481 6.017 -12.930 1.00 31.34 H new ATOM 0 HA3 GLY A 390 19.459 6.591 -11.593 1.00 31.34 H new ATOM 566 N ASN A 391 17.427 5.183 -10.572 1.00 32.30 N ATOM 567 CA ASN A 391 16.383 4.679 -9.651 1.00 21.54 C ATOM 568 C ASN A 391 17.005 4.204 -8.384 1.00 52.44 C ATOM 569 O ASN A 391 18.090 3.629 -8.424 1.00 10.40 O ATOM 570 CB ASN A 391 15.568 3.534 -10.278 1.00 41.41 C ATOM 571 CG ASN A 391 14.495 3.974 -11.259 1.00 3.31 C ATOM 572 OD1 ASN A 391 13.502 3.290 -11.439 1.00 34.10 O ATOM 573 ND2 ASN A 391 14.657 5.106 -11.861 1.00 31.41 N ATOM 0 H ASN A 391 18.183 4.517 -10.731 1.00 32.30 H new ATOM 0 HA ASN A 391 15.704 5.506 -9.446 1.00 21.54 H new ATOM 0 HB2 ASN A 391 16.253 2.858 -10.790 1.00 41.41 H new ATOM 0 HB3 ASN A 391 15.096 2.963 -9.478 1.00 41.41 H new ATOM 0 HD21 ASN A 391 13.944 5.448 -12.505 1.00 31.41 H new ATOM 0 HD22 ASN A 391 15.498 5.658 -11.692 1.00 31.41 H new ATOM 580 N PHE A 392 16.343 4.430 -7.255 1.00 33.13 N ATOM 581 CA PHE A 392 16.931 4.058 -5.964 1.00 22.23 C ATOM 582 C PHE A 392 17.260 2.589 -5.901 1.00 63.42 C ATOM 583 O PHE A 392 16.373 1.732 -5.959 1.00 74.54 O ATOM 584 CB PHE A 392 16.035 4.448 -4.795 1.00 72.43 C ATOM 585 CG PHE A 392 16.604 4.097 -3.450 1.00 74.24 C ATOM 586 CD1 PHE A 392 17.700 4.775 -2.952 1.00 34.14 C ATOM 587 CD2 PHE A 392 16.039 3.091 -2.684 1.00 34.35 C ATOM 588 CE1 PHE A 392 18.222 4.457 -1.720 1.00 30.31 C ATOM 589 CE2 PHE A 392 16.557 2.769 -1.451 1.00 10.32 C ATOM 590 CZ PHE A 392 17.652 3.453 -0.968 1.00 4.24 C ATOM 0 H PHE A 392 15.419 4.859 -7.201 1.00 33.13 H new ATOM 0 HA PHE A 392 17.861 4.620 -5.878 1.00 22.23 H new ATOM 0 HB2 PHE A 392 15.852 5.522 -4.832 1.00 72.43 H new ATOM 0 HB3 PHE A 392 15.069 3.956 -4.910 1.00 72.43 H new ATOM 0 HD1 PHE A 392 18.152 5.563 -3.536 1.00 34.14 H new ATOM 0 HD2 PHE A 392 15.181 2.553 -3.059 1.00 34.35 H new ATOM 0 HE1 PHE A 392 19.079 4.994 -1.342 1.00 30.31 H new ATOM 0 HE2 PHE A 392 16.107 1.983 -0.863 1.00 10.32 H new ATOM 0 HZ PHE A 392 18.063 3.202 -0.001 1.00 4.24 H new ATOM 600 N ALA A 393 18.528 2.311 -5.785 1.00 52.30 N ATOM 601 CA ALA A 393 18.996 0.965 -5.714 1.00 32.22 C ATOM 602 C ALA A 393 19.482 0.657 -4.319 1.00 42.34 C ATOM 603 O ALA A 393 19.083 -0.341 -3.715 1.00 44.35 O ATOM 604 CB ALA A 393 20.106 0.737 -6.735 1.00 33.13 C ATOM 0 H ALA A 393 19.264 3.016 -5.737 1.00 52.30 H new ATOM 0 HA ALA A 393 18.172 0.291 -5.948 1.00 32.22 H new ATOM 0 HB1 ALA A 393 20.454 -0.294 -6.670 1.00 33.13 H new ATOM 0 HB2 ALA A 393 19.723 0.928 -7.737 1.00 33.13 H new ATOM 0 HB3 ALA A 393 20.935 1.413 -6.528 1.00 33.13 H new ATOM 610 N SER A 394 20.340 1.514 -3.789 1.00 12.33 N ATOM 611 CA SER A 394 20.911 1.286 -2.482 1.00 3.35 C ATOM 612 C SER A 394 21.302 2.597 -1.809 1.00 70.45 C ATOM 613 O SER A 394 21.486 3.633 -2.479 1.00 22.53 O ATOM 614 CB SER A 394 22.157 0.402 -2.613 1.00 22.15 C ATOM 615 OG SER A 394 21.850 -0.838 -3.250 1.00 44.05 O ATOM 0 H SER A 394 20.652 2.370 -4.247 1.00 12.33 H new ATOM 0 HA SER A 394 20.157 0.793 -1.868 1.00 3.35 H new ATOM 0 HB2 SER A 394 22.920 0.928 -3.186 1.00 22.15 H new ATOM 0 HB3 SER A 394 22.576 0.212 -1.625 1.00 22.15 H new ATOM 0 HG SER A 394 22.664 -1.380 -3.321 1.00 44.05 H new ATOM 621 N GLN A 395 21.402 2.544 -0.503 1.00 34.43 N ATOM 622 CA GLN A 395 21.878 3.635 0.301 1.00 33.24 C ATOM 623 C GLN A 395 23.176 3.201 0.953 1.00 54.44 C ATOM 624 O GLN A 395 23.205 2.216 1.695 1.00 33.33 O ATOM 625 CB GLN A 395 20.840 4.016 1.372 1.00 15.20 C ATOM 626 CG GLN A 395 21.317 5.088 2.353 1.00 42.12 C ATOM 627 CD GLN A 395 20.260 5.494 3.369 1.00 63.52 C ATOM 628 OE1 GLN A 395 19.386 4.710 3.741 1.00 45.13 O ATOM 629 NE2 GLN A 395 20.333 6.713 3.831 1.00 65.12 N ATOM 0 H GLN A 395 21.147 1.719 0.040 1.00 34.43 H new ATOM 0 HA GLN A 395 22.043 4.514 -0.322 1.00 33.24 H new ATOM 0 HB2 GLN A 395 19.936 4.369 0.876 1.00 15.20 H new ATOM 0 HB3 GLN A 395 20.568 3.122 1.932 1.00 15.20 H new ATOM 0 HG2 GLN A 395 22.196 4.720 2.882 1.00 42.12 H new ATOM 0 HG3 GLN A 395 21.628 5.969 1.793 1.00 42.12 H new ATOM 0 HE21 GLN A 395 21.069 7.339 3.504 1.00 65.12 H new ATOM 0 HE22 GLN A 395 19.655 7.039 4.519 1.00 65.12 H new ATOM 638 N GLU A 396 24.237 3.901 0.671 1.00 23.43 N ATOM 639 CA GLU A 396 25.519 3.571 1.230 1.00 14.14 C ATOM 640 C GLU A 396 25.926 4.695 2.156 1.00 73.20 C ATOM 641 O GLU A 396 26.295 5.790 1.704 1.00 2.14 O ATOM 642 CB GLU A 396 26.562 3.362 0.131 1.00 4.42 C ATOM 643 CG GLU A 396 26.144 2.355 -0.934 1.00 54.10 C ATOM 644 CD GLU A 396 27.232 2.081 -1.943 1.00 13.42 C ATOM 645 OE1 GLU A 396 27.695 3.029 -2.616 1.00 14.15 O ATOM 646 OE2 GLU A 396 27.660 0.913 -2.060 1.00 45.44 O ATOM 0 H GLU A 396 24.240 4.711 0.052 1.00 23.43 H new ATOM 0 HA GLU A 396 25.453 2.635 1.784 1.00 14.14 H new ATOM 0 HB2 GLU A 396 26.767 4.319 -0.349 1.00 4.42 H new ATOM 0 HB3 GLU A 396 27.494 3.028 0.587 1.00 4.42 H new ATOM 0 HG2 GLU A 396 25.860 1.420 -0.451 1.00 54.10 H new ATOM 0 HG3 GLU A 396 25.260 2.728 -1.452 1.00 54.10 H new ATOM 653 N GLY A 397 25.824 4.447 3.438 1.00 75.41 N ATOM 654 CA GLY A 397 26.061 5.487 4.399 1.00 22.53 C ATOM 655 C GLY A 397 24.881 6.420 4.403 1.00 54.42 C ATOM 656 O GLY A 397 23.738 5.959 4.439 1.00 53.23 O ATOM 0 H GLY A 397 25.580 3.540 3.835 1.00 75.41 H new ATOM 0 HA2 GLY A 397 26.207 5.059 5.391 1.00 22.53 H new ATOM 0 HA3 GLY A 397 26.972 6.031 4.150 1.00 22.53 H new ATOM 660 N ASN A 398 25.120 7.702 4.333 1.00 21.14 N ATOM 661 CA ASN A 398 24.018 8.656 4.240 1.00 44.02 C ATOM 662 C ASN A 398 23.852 9.101 2.789 1.00 73.53 C ATOM 663 O ASN A 398 23.078 9.997 2.478 1.00 51.31 O ATOM 664 CB ASN A 398 24.210 9.875 5.178 1.00 21.20 C ATOM 665 CG ASN A 398 25.396 10.766 4.829 1.00 61.31 C ATOM 666 OD1 ASN A 398 26.409 10.314 4.296 1.00 62.34 O ATOM 667 ND2 ASN A 398 25.284 12.040 5.146 1.00 61.43 N ATOM 0 H ASN A 398 26.051 8.118 4.338 1.00 21.14 H new ATOM 0 HA ASN A 398 23.109 8.154 4.572 1.00 44.02 H new ATOM 0 HB2 ASN A 398 23.302 10.478 5.159 1.00 21.20 H new ATOM 0 HB3 ASN A 398 24.332 9.515 6.199 1.00 21.20 H new ATOM 0 HD21 ASN A 398 26.051 12.684 4.950 1.00 61.43 H new ATOM 0 HD22 ASN A 398 24.430 12.383 5.587 1.00 61.43 H new ATOM 674 N VAL A 399 24.576 8.432 1.915 1.00 43.45 N ATOM 675 CA VAL A 399 24.569 8.708 0.495 1.00 52.41 C ATOM 676 C VAL A 399 23.606 7.758 -0.236 1.00 3.12 C ATOM 677 O VAL A 399 23.559 6.556 0.046 1.00 72.41 O ATOM 678 CB VAL A 399 26.007 8.586 -0.082 1.00 53.32 C ATOM 679 CG1 VAL A 399 26.026 8.761 -1.578 1.00 60.41 C ATOM 680 CG2 VAL A 399 26.914 9.620 0.553 1.00 62.13 C ATOM 0 H VAL A 399 25.197 7.667 2.178 1.00 43.45 H new ATOM 0 HA VAL A 399 24.220 9.729 0.340 1.00 52.41 H new ATOM 0 HB VAL A 399 26.366 7.583 0.150 1.00 53.32 H new ATOM 0 HG11 VAL A 399 27.049 8.669 -1.942 1.00 60.41 H new ATOM 0 HG12 VAL A 399 25.405 7.995 -2.042 1.00 60.41 H new ATOM 0 HG13 VAL A 399 25.637 9.747 -1.834 1.00 60.41 H new ATOM 0 HG21 VAL A 399 27.919 9.525 0.141 1.00 62.13 H new ATOM 0 HG22 VAL A 399 26.529 10.618 0.345 1.00 62.13 H new ATOM 0 HG23 VAL A 399 26.947 9.462 1.631 1.00 62.13 H new ATOM 690 N LEU A 400 22.845 8.308 -1.156 1.00 14.01 N ATOM 691 CA LEU A 400 21.839 7.563 -1.902 1.00 12.53 C ATOM 692 C LEU A 400 22.297 7.398 -3.352 1.00 71.12 C ATOM 693 O LEU A 400 22.725 8.376 -3.982 1.00 73.00 O ATOM 694 CB LEU A 400 20.476 8.320 -1.894 1.00 75.01 C ATOM 695 CG LEU A 400 19.736 8.554 -0.543 1.00 31.14 C ATOM 696 CD1 LEU A 400 19.397 7.258 0.145 1.00 65.51 C ATOM 697 CD2 LEU A 400 20.494 9.489 0.390 1.00 54.03 C ATOM 0 H LEU A 400 22.903 9.293 -1.414 1.00 14.01 H new ATOM 0 HA LEU A 400 21.712 6.589 -1.430 1.00 12.53 H new ATOM 0 HB2 LEU A 400 20.642 9.297 -2.349 1.00 75.01 H new ATOM 0 HB3 LEU A 400 19.796 7.775 -2.549 1.00 75.01 H new ATOM 0 HG LEU A 400 18.800 9.051 -0.797 1.00 31.14 H new ATOM 0 HD11 LEU A 400 18.882 7.468 1.083 1.00 65.51 H new ATOM 0 HD12 LEU A 400 18.750 6.663 -0.499 1.00 65.51 H new ATOM 0 HD13 LEU A 400 20.313 6.704 0.350 1.00 65.51 H new ATOM 0 HD21 LEU A 400 19.931 9.615 1.315 1.00 54.03 H new ATOM 0 HD22 LEU A 400 21.472 9.064 0.615 1.00 54.03 H new ATOM 0 HD23 LEU A 400 20.622 10.458 -0.092 1.00 54.03 H new ATOM 709 N LYS A 401 22.215 6.186 -3.892 1.00 34.22 N ATOM 710 CA LYS A 401 22.605 5.973 -5.281 1.00 52.25 C ATOM 711 C LYS A 401 21.394 5.503 -6.085 1.00 55.03 C ATOM 712 O LYS A 401 20.711 4.529 -5.704 1.00 20.40 O ATOM 713 CB LYS A 401 23.735 4.934 -5.401 1.00 2.25 C ATOM 714 CG LYS A 401 24.863 5.357 -6.347 1.00 42.20 C ATOM 715 CD LYS A 401 24.380 5.666 -7.754 1.00 11.50 C ATOM 716 CE LYS A 401 23.930 4.442 -8.512 1.00 14.10 C ATOM 717 NZ LYS A 401 25.052 3.504 -8.756 1.00 33.03 N ATOM 0 H LYS A 401 21.889 5.353 -3.402 1.00 34.22 H new ATOM 0 HA LYS A 401 22.974 6.920 -5.675 1.00 52.25 H new ATOM 0 HB2 LYS A 401 24.153 4.749 -4.411 1.00 2.25 H new ATOM 0 HB3 LYS A 401 23.314 3.991 -5.751 1.00 2.25 H new ATOM 0 HG2 LYS A 401 25.360 6.237 -5.939 1.00 42.20 H new ATOM 0 HG3 LYS A 401 25.608 4.563 -6.392 1.00 42.20 H new ATOM 0 HD2 LYS A 401 23.554 6.375 -7.700 1.00 11.50 H new ATOM 0 HD3 LYS A 401 25.183 6.153 -8.308 1.00 11.50 H new ATOM 0 HE2 LYS A 401 23.147 3.934 -7.950 1.00 14.10 H new ATOM 0 HE3 LYS A 401 23.494 4.744 -9.465 1.00 14.10 H new ATOM 0 HZ1 LYS A 401 24.698 2.660 -9.249 1.00 33.03 H new ATOM 0 HZ2 LYS A 401 25.773 3.970 -9.342 1.00 33.03 H new ATOM 0 HZ3 LYS A 401 25.473 3.223 -7.848 1.00 33.03 H new ATOM 731 N TYR A 402 21.132 6.178 -7.184 1.00 74.31 N ATOM 732 CA TYR A 402 20.020 5.864 -8.019 1.00 20.13 C ATOM 733 C TYR A 402 20.539 5.475 -9.404 1.00 4.51 C ATOM 734 O TYR A 402 21.057 6.306 -10.090 1.00 13.43 O ATOM 735 CB TYR A 402 19.118 7.118 -8.149 1.00 31.34 C ATOM 736 CG TYR A 402 18.637 7.698 -6.827 1.00 54.31 C ATOM 737 CD1 TYR A 402 19.408 8.611 -6.128 1.00 71.35 C ATOM 738 CD2 TYR A 402 17.426 7.330 -6.285 1.00 75.31 C ATOM 739 CE1 TYR A 402 18.981 9.130 -4.926 1.00 53.40 C ATOM 740 CE2 TYR A 402 16.989 7.850 -5.082 1.00 45.14 C ATOM 741 CZ TYR A 402 17.771 8.745 -4.409 1.00 62.12 C ATOM 742 OH TYR A 402 17.346 9.256 -3.203 1.00 54.44 O ATOM 0 H TYR A 402 21.695 6.962 -7.515 1.00 74.31 H new ATOM 0 HA TYR A 402 19.449 5.041 -7.590 1.00 20.13 H new ATOM 0 HB2 TYR A 402 19.667 7.889 -8.689 1.00 31.34 H new ATOM 0 HB3 TYR A 402 18.249 6.862 -8.755 1.00 31.34 H new ATOM 0 HD1 TYR A 402 20.360 8.921 -6.532 1.00 71.35 H new ATOM 0 HD2 TYR A 402 16.805 6.620 -6.811 1.00 75.31 H new ATOM 0 HE1 TYR A 402 19.597 9.838 -4.392 1.00 53.40 H new ATOM 0 HE2 TYR A 402 16.034 7.550 -4.676 1.00 45.14 H new ATOM 0 HH TYR A 402 17.889 10.037 -2.969 1.00 54.44 H new ATOM 752 N GLU A 403 20.372 4.225 -9.811 1.00 24.13 N ATOM 753 CA GLU A 403 20.821 3.785 -11.145 1.00 74.05 C ATOM 754 C GLU A 403 19.736 2.995 -11.816 1.00 4.01 C ATOM 755 O GLU A 403 18.665 2.822 -11.233 1.00 34.12 O ATOM 756 CB GLU A 403 22.117 2.959 -11.095 1.00 21.25 C ATOM 757 CG GLU A 403 22.049 1.653 -10.327 1.00 12.50 C ATOM 758 CD GLU A 403 23.387 0.957 -10.323 1.00 25.14 C ATOM 759 OE1 GLU A 403 23.748 0.322 -11.337 1.00 55.53 O ATOM 760 OE2 GLU A 403 24.116 1.066 -9.312 1.00 0.33 O ATOM 0 H GLU A 403 19.934 3.495 -9.250 1.00 24.13 H new ATOM 0 HA GLU A 403 21.038 4.685 -11.721 1.00 74.05 H new ATOM 0 HB2 GLU A 403 22.423 2.739 -12.118 1.00 21.25 H new ATOM 0 HB3 GLU A 403 22.900 3.576 -10.653 1.00 21.25 H new ATOM 0 HG2 GLU A 403 21.733 1.846 -9.302 1.00 12.50 H new ATOM 0 HG3 GLU A 403 21.298 1.002 -10.775 1.00 12.50 H new ATOM 767 N ASN A 404 20.006 2.524 -13.040 1.00 51.21 N ATOM 768 CA ASN A 404 19.038 1.723 -13.815 1.00 31.15 C ATOM 769 C ASN A 404 17.869 2.577 -14.252 1.00 41.01 C ATOM 770 O ASN A 404 16.742 2.096 -14.390 1.00 3.04 O ATOM 771 CB ASN A 404 18.559 0.494 -13.012 1.00 24.34 C ATOM 772 CG ASN A 404 19.665 -0.519 -12.775 1.00 73.01 C ATOM 773 OD1 ASN A 404 20.571 -0.670 -13.605 1.00 71.43 O ATOM 774 ND2 ASN A 404 19.621 -1.195 -11.653 1.00 43.44 N ATOM 0 H ASN A 404 20.891 2.683 -13.521 1.00 51.21 H new ATOM 0 HA ASN A 404 19.543 1.355 -14.708 1.00 31.15 H new ATOM 0 HB2 ASN A 404 18.163 0.824 -12.052 1.00 24.34 H new ATOM 0 HB3 ASN A 404 17.740 0.013 -13.546 1.00 24.34 H new ATOM 0 HD21 ASN A 404 20.351 -1.875 -11.438 1.00 43.44 H new ATOM 0 HD22 ASN A 404 18.857 -1.041 -10.995 1.00 43.44 H new ATOM 781 N GLY A 405 18.152 3.843 -14.517 1.00 73.03 N ATOM 782 CA GLY A 405 17.130 4.741 -14.971 1.00 72.00 C ATOM 783 C GLY A 405 16.956 4.693 -16.474 1.00 33.21 C ATOM 784 O GLY A 405 16.985 3.611 -17.084 1.00 44.03 O ATOM 0 H GLY A 405 19.078 4.259 -14.423 1.00 73.03 H new ATOM 0 HA2 GLY A 405 16.186 4.488 -14.489 1.00 72.00 H new ATOM 0 HA3 GLY A 405 17.380 5.758 -14.668 1.00 72.00 H new ATOM 788 N GLN A 406 16.823 5.848 -17.071 1.00 13.31 N ATOM 789 CA GLN A 406 16.570 5.966 -18.491 1.00 4.44 C ATOM 790 C GLN A 406 17.863 5.583 -19.231 1.00 74.54 C ATOM 791 O GLN A 406 18.950 6.052 -18.876 1.00 63.25 O ATOM 792 CB GLN A 406 16.098 7.424 -18.765 1.00 53.43 C ATOM 793 CG GLN A 406 15.395 7.722 -20.099 1.00 72.03 C ATOM 794 CD GLN A 406 16.286 7.733 -21.308 1.00 71.11 C ATOM 795 OE1 GLN A 406 16.486 6.719 -21.952 1.00 25.34 O ATOM 796 NE2 GLN A 406 16.803 8.893 -21.632 1.00 61.13 N ATOM 0 H GLN A 406 16.887 6.743 -16.586 1.00 13.31 H new ATOM 0 HA GLN A 406 15.786 5.299 -18.848 1.00 4.44 H new ATOM 0 HB2 GLN A 406 15.421 7.711 -17.961 1.00 53.43 H new ATOM 0 HB3 GLN A 406 16.970 8.075 -18.696 1.00 53.43 H new ATOM 0 HG2 GLN A 406 14.613 6.979 -20.252 1.00 72.03 H new ATOM 0 HG3 GLN A 406 14.903 8.692 -20.022 1.00 72.03 H new ATOM 0 HE21 GLN A 406 16.607 9.716 -21.062 1.00 61.13 H new ATOM 0 HE22 GLN A 406 17.401 8.973 -22.454 1.00 61.13 H new ATOM 805 N SER A 407 17.741 4.678 -20.192 1.00 51.30 N ATOM 806 CA SER A 407 18.868 4.149 -20.950 1.00 63.35 C ATOM 807 C SER A 407 19.709 5.277 -21.554 1.00 34.54 C ATOM 808 O SER A 407 19.217 6.067 -22.361 1.00 22.35 O ATOM 809 CB SER A 407 18.330 3.243 -22.044 1.00 52.33 C ATOM 810 OG SER A 407 17.436 2.286 -21.491 1.00 43.12 O ATOM 0 H SER A 407 16.843 4.284 -20.472 1.00 51.30 H new ATOM 0 HA SER A 407 19.518 3.584 -20.282 1.00 63.35 H new ATOM 0 HB2 SER A 407 17.816 3.838 -22.799 1.00 52.33 H new ATOM 0 HB3 SER A 407 19.155 2.735 -22.544 1.00 52.33 H new ATOM 0 HG SER A 407 17.093 1.708 -22.204 1.00 43.12 H new ATOM 816 N CYS A 408 20.973 5.337 -21.170 1.00 50.11 N ATOM 817 CA CYS A 408 21.840 6.407 -21.595 1.00 62.31 C ATOM 818 C CYS A 408 22.305 6.190 -23.020 1.00 61.33 C ATOM 819 O CYS A 408 22.627 7.153 -23.718 1.00 43.52 O ATOM 820 CB CYS A 408 23.027 6.544 -20.632 1.00 61.40 C ATOM 821 SG CYS A 408 24.257 7.807 -21.078 1.00 22.24 S ATOM 0 H CYS A 408 21.417 4.650 -20.561 1.00 50.11 H new ATOM 0 HA CYS A 408 21.278 7.341 -21.573 1.00 62.31 H new ATOM 0 HB2 CYS A 408 22.641 6.773 -19.638 1.00 61.40 H new ATOM 0 HB3 CYS A 408 23.531 5.580 -20.565 1.00 61.40 H new ATOM 889 N ARG A 414 21.277 5.489 -17.292 1.00 73.53 N ATOM 890 CA ARG A 414 21.635 6.725 -16.637 1.00 44.12 C ATOM 891 C ARG A 414 21.501 6.543 -15.115 1.00 42.44 C ATOM 892 O ARG A 414 20.746 5.653 -14.643 1.00 72.51 O ATOM 893 CB ARG A 414 20.752 7.859 -17.196 1.00 3.44 C ATOM 894 CG ARG A 414 21.171 9.270 -16.832 1.00 51.42 C ATOM 895 CD ARG A 414 20.330 10.310 -17.583 1.00 23.23 C ATOM 896 NE ARG A 414 20.421 10.146 -19.051 1.00 5.20 N ATOM 897 CZ ARG A 414 20.254 11.125 -19.970 1.00 23.12 C ATOM 898 NH1 ARG A 414 20.069 12.386 -19.597 1.00 24.34 N ATOM 899 NH2 ARG A 414 20.282 10.831 -21.260 1.00 24.23 N ATOM 0 HA ARG A 414 22.672 6.998 -16.835 1.00 44.12 H new ATOM 0 HB2 ARG A 414 20.734 7.776 -18.283 1.00 3.44 H new ATOM 0 HB3 ARG A 414 19.731 7.703 -16.847 1.00 3.44 H new ATOM 0 HG2 ARG A 414 21.063 9.418 -15.758 1.00 51.42 H new ATOM 0 HG3 ARG A 414 22.225 9.412 -17.069 1.00 51.42 H new ATOM 0 HD2 ARG A 414 19.288 10.225 -17.273 1.00 23.23 H new ATOM 0 HD3 ARG A 414 20.663 11.311 -17.309 1.00 23.23 H new ATOM 0 HE ARG A 414 20.628 9.211 -19.402 1.00 5.20 H new ATOM 0 HH11 ARG A 414 20.051 12.627 -18.606 1.00 24.34 H new ATOM 0 HH12 ARG A 414 19.945 13.113 -20.301 1.00 24.34 H new ATOM 0 HH21 ARG A 414 20.429 9.867 -21.560 1.00 24.23 H new ATOM 0 HH22 ARG A 414 20.156 11.568 -21.954 1.00 24.23 H new ATOM 913 N SER A 415 22.229 7.318 -14.363 1.00 43.42 N ATOM 914 CA SER A 415 22.281 7.138 -12.948 1.00 44.11 C ATOM 915 C SER A 415 22.543 8.471 -12.247 1.00 51.20 C ATOM 916 O SER A 415 22.869 9.477 -12.894 1.00 2.43 O ATOM 917 CB SER A 415 23.383 6.112 -12.662 1.00 4.11 C ATOM 918 OG SER A 415 23.488 5.801 -11.299 1.00 61.11 O ATOM 0 H SER A 415 22.799 8.087 -14.715 1.00 43.42 H new ATOM 0 HA SER A 415 21.330 6.772 -12.562 1.00 44.11 H new ATOM 0 HB2 SER A 415 23.181 5.201 -13.225 1.00 4.11 H new ATOM 0 HB3 SER A 415 24.337 6.501 -13.017 1.00 4.11 H new ATOM 0 HG SER A 415 24.295 5.266 -11.147 1.00 61.11 H new ATOM 924 N ALA A 416 22.391 8.470 -10.944 1.00 43.53 N ATOM 925 CA ALA A 416 22.551 9.635 -10.124 1.00 34.35 C ATOM 926 C ALA A 416 23.055 9.236 -8.742 1.00 21.53 C ATOM 927 O ALA A 416 22.534 8.307 -8.122 1.00 25.24 O ATOM 928 CB ALA A 416 21.224 10.352 -9.995 1.00 34.42 C ATOM 0 H ALA A 416 22.146 7.633 -10.416 1.00 43.53 H new ATOM 0 HA ALA A 416 23.279 10.300 -10.589 1.00 34.35 H new ATOM 0 HB1 ALA A 416 21.348 11.237 -9.371 1.00 34.42 H new ATOM 0 HB2 ALA A 416 20.874 10.650 -10.983 1.00 34.42 H new ATOM 0 HB3 ALA A 416 20.493 9.685 -9.537 1.00 34.42 H new ATOM 934 N ILE A 417 24.048 9.926 -8.277 1.00 72.34 N ATOM 935 CA ILE A 417 24.629 9.701 -6.966 1.00 72.33 C ATOM 936 C ILE A 417 24.405 10.950 -6.093 1.00 42.30 C ATOM 937 O ILE A 417 24.955 12.011 -6.358 1.00 31.11 O ATOM 938 CB ILE A 417 26.165 9.340 -7.082 1.00 24.43 C ATOM 939 CG1 ILE A 417 26.859 9.243 -5.718 1.00 21.13 C ATOM 940 CG2 ILE A 417 26.910 10.275 -7.984 1.00 42.51 C ATOM 941 CD1 ILE A 417 26.427 8.082 -4.881 1.00 73.01 C ATOM 0 H ILE A 417 24.496 10.680 -8.799 1.00 72.34 H new ATOM 0 HA ILE A 417 24.139 8.850 -6.493 1.00 72.33 H new ATOM 0 HB ILE A 417 26.191 8.349 -7.535 1.00 24.43 H new ATOM 0 HG12 ILE A 417 27.936 9.179 -5.877 1.00 21.13 H new ATOM 0 HG13 ILE A 417 26.672 10.163 -5.164 1.00 21.13 H new ATOM 0 HG21 ILE A 417 27.959 9.981 -8.027 1.00 42.51 H new ATOM 0 HG22 ILE A 417 26.481 10.234 -8.985 1.00 42.51 H new ATOM 0 HG23 ILE A 417 26.834 11.291 -7.598 1.00 42.51 H new ATOM 0 HD11 ILE A 417 26.969 8.093 -3.936 1.00 73.01 H new ATOM 0 HD12 ILE A 417 25.357 8.152 -4.686 1.00 73.01 H new ATOM 0 HD13 ILE A 417 26.640 7.153 -5.410 1.00 73.01 H new ATOM 953 N VAL A 418 23.586 10.822 -5.071 1.00 70.45 N ATOM 954 CA VAL A 418 23.245 11.956 -4.229 1.00 71.04 C ATOM 955 C VAL A 418 24.177 12.018 -3.035 1.00 55.42 C ATOM 956 O VAL A 418 24.126 11.176 -2.141 1.00 34.14 O ATOM 957 CB VAL A 418 21.748 11.903 -3.770 1.00 42.42 C ATOM 958 CG1 VAL A 418 21.406 13.001 -2.765 1.00 1.11 C ATOM 959 CG2 VAL A 418 20.820 12.013 -4.962 1.00 4.31 C ATOM 0 H VAL A 418 23.142 9.944 -4.800 1.00 70.45 H new ATOM 0 HA VAL A 418 23.370 12.865 -4.818 1.00 71.04 H new ATOM 0 HB VAL A 418 21.609 10.940 -3.278 1.00 42.42 H new ATOM 0 HG11 VAL A 418 20.357 12.919 -2.480 1.00 1.11 H new ATOM 0 HG12 VAL A 418 22.032 12.892 -1.880 1.00 1.11 H new ATOM 0 HG13 VAL A 418 21.584 13.977 -3.217 1.00 1.11 H new ATOM 0 HG21 VAL A 418 19.785 11.974 -4.622 1.00 4.31 H new ATOM 0 HG22 VAL A 418 20.998 12.958 -5.476 1.00 4.31 H new ATOM 0 HG23 VAL A 418 21.008 11.186 -5.647 1.00 4.31 H new ATOM 969 N THR A 419 25.016 13.017 -3.039 1.00 70.14 N ATOM 970 CA THR A 419 25.981 13.227 -2.012 1.00 10.15 C ATOM 971 C THR A 419 25.556 14.433 -1.172 1.00 5.33 C ATOM 972 O THR A 419 25.471 15.567 -1.665 1.00 11.14 O ATOM 973 CB THR A 419 27.369 13.460 -2.640 1.00 45.12 C ATOM 974 OG1 THR A 419 27.653 12.358 -3.525 1.00 64.22 O ATOM 975 CG2 THR A 419 28.450 13.529 -1.567 1.00 71.34 C ATOM 0 H THR A 419 25.043 13.721 -3.777 1.00 70.14 H new ATOM 0 HA THR A 419 26.041 12.349 -1.370 1.00 10.15 H new ATOM 0 HB THR A 419 27.363 14.406 -3.181 1.00 45.12 H new ATOM 0 HG1 THR A 419 28.533 12.488 -3.937 1.00 64.22 H new ATOM 0 HG21 THR A 419 29.419 13.694 -2.037 1.00 71.34 H new ATOM 0 HG22 THR A 419 28.233 14.351 -0.884 1.00 71.34 H new ATOM 0 HG23 THR A 419 28.471 12.592 -1.011 1.00 71.34 H new ATOM 983 N VAL A 420 25.262 14.178 0.067 1.00 23.23 N ATOM 984 CA VAL A 420 24.774 15.187 0.970 1.00 43.55 C ATOM 985 C VAL A 420 25.817 15.608 1.994 1.00 21.05 C ATOM 986 O VAL A 420 26.508 14.771 2.571 1.00 74.11 O ATOM 987 CB VAL A 420 23.471 14.743 1.684 1.00 14.42 C ATOM 988 CG1 VAL A 420 22.314 14.699 0.704 1.00 23.11 C ATOM 989 CG2 VAL A 420 23.650 13.368 2.327 1.00 64.21 C ATOM 0 H VAL A 420 25.354 13.254 0.488 1.00 23.23 H new ATOM 0 HA VAL A 420 24.548 16.056 0.351 1.00 43.55 H new ATOM 0 HB VAL A 420 23.250 15.473 2.463 1.00 14.42 H new ATOM 0 HG11 VAL A 420 21.409 14.385 1.224 1.00 23.11 H new ATOM 0 HG12 VAL A 420 22.162 15.690 0.276 1.00 23.11 H new ATOM 0 HG13 VAL A 420 22.539 13.990 -0.093 1.00 23.11 H new ATOM 0 HG21 VAL A 420 22.725 13.075 2.823 1.00 64.21 H new ATOM 0 HG22 VAL A 420 23.897 12.636 1.558 1.00 64.21 H new ATOM 0 HG23 VAL A 420 24.456 13.411 3.060 1.00 64.21 H new ATOM 999 N GLU A 421 25.946 16.912 2.196 1.00 53.31 N ATOM 1000 CA GLU A 421 26.871 17.435 3.207 1.00 41.04 C ATOM 1001 C GLU A 421 26.076 17.949 4.408 1.00 10.03 C ATOM 1002 O GLU A 421 26.638 18.430 5.385 1.00 73.33 O ATOM 1003 CB GLU A 421 27.732 18.572 2.637 1.00 42.41 C ATOM 1004 CG GLU A 421 26.956 19.828 2.265 1.00 24.03 C ATOM 1005 CD GLU A 421 27.857 20.934 1.787 1.00 2.32 C ATOM 1006 OE1 GLU A 421 28.604 21.501 2.606 1.00 63.20 O ATOM 1007 OE2 GLU A 421 27.816 21.266 0.589 1.00 64.31 O ATOM 0 H GLU A 421 25.430 17.626 1.682 1.00 53.31 H new ATOM 0 HA GLU A 421 27.534 16.627 3.516 1.00 41.04 H new ATOM 0 HB2 GLU A 421 28.495 18.835 3.370 1.00 42.41 H new ATOM 0 HB3 GLU A 421 28.253 18.207 1.752 1.00 42.41 H new ATOM 0 HG2 GLU A 421 26.233 19.588 1.485 1.00 24.03 H new ATOM 0 HG3 GLU A 421 26.389 20.172 3.130 1.00 24.03 H new ATOM 1014 N CYS A 422 24.757 17.818 4.301 1.00 31.43 N ATOM 1015 CA CYS A 422 23.793 18.254 5.320 1.00 55.31 C ATOM 1016 C CYS A 422 23.615 19.783 5.348 1.00 40.04 C ATOM 1017 O CYS A 422 24.528 20.549 5.022 1.00 62.44 O ATOM 1018 CB CYS A 422 24.090 17.665 6.724 1.00 71.21 C ATOM 1019 SG CYS A 422 22.832 18.065 7.989 1.00 62.15 S ATOM 0 H CYS A 422 24.313 17.396 3.485 1.00 31.43 H new ATOM 0 HA CYS A 422 22.832 17.838 5.019 1.00 55.31 H new ATOM 0 HB2 CYS A 422 24.173 16.581 6.640 1.00 71.21 H new ATOM 0 HB3 CYS A 422 25.058 18.033 7.062 1.00 71.21 H new ATOM 0 HG CYS A 422 21.654 18.083 7.439 1.00 62.15 H new ATOM 1024 N GLY A 423 22.424 20.207 5.695 1.00 31.24 N ATOM 1025 CA GLY A 423 22.104 21.611 5.702 1.00 2.42 C ATOM 1026 C GLY A 423 20.937 21.903 6.597 1.00 25.53 C ATOM 1027 O GLY A 423 20.608 21.095 7.468 1.00 42.31 O ATOM 0 H GLY A 423 21.658 19.595 5.977 1.00 31.24 H new ATOM 0 HA2 GLY A 423 22.971 22.181 6.035 1.00 2.42 H new ATOM 0 HA3 GLY A 423 21.877 21.939 4.688 1.00 2.42 H new ATOM 1031 N VAL A 424 20.310 23.031 6.387 1.00 31.11 N ATOM 1032 CA VAL A 424 19.179 23.451 7.201 1.00 34.22 C ATOM 1033 C VAL A 424 17.866 23.043 6.527 1.00 34.24 C ATOM 1034 O VAL A 424 16.888 22.680 7.196 1.00 62.14 O ATOM 1035 CB VAL A 424 19.193 24.992 7.432 1.00 3.12 C ATOM 1036 CG1 VAL A 424 18.049 25.430 8.340 1.00 24.40 C ATOM 1037 CG2 VAL A 424 20.531 25.438 8.007 1.00 32.30 C ATOM 0 H VAL A 424 20.562 23.690 5.650 1.00 31.11 H new ATOM 0 HA VAL A 424 19.260 22.957 8.169 1.00 34.22 H new ATOM 0 HB VAL A 424 19.053 25.472 6.463 1.00 3.12 H new ATOM 0 HG11 VAL A 424 18.089 26.510 8.480 1.00 24.40 H new ATOM 0 HG12 VAL A 424 17.097 25.158 7.883 1.00 24.40 H new ATOM 0 HG13 VAL A 424 18.142 24.935 9.307 1.00 24.40 H new ATOM 0 HG21 VAL A 424 20.519 26.517 8.161 1.00 32.30 H new ATOM 0 HG22 VAL A 424 20.702 24.938 8.960 1.00 32.30 H new ATOM 0 HG23 VAL A 424 21.330 25.179 7.312 1.00 32.30 H new ATOM 1047 N GLU A 425 17.864 23.073 5.213 1.00 52.34 N ATOM 1048 CA GLU A 425 16.703 22.739 4.424 1.00 54.32 C ATOM 1049 C GLU A 425 17.135 21.982 3.193 1.00 61.43 C ATOM 1050 O GLU A 425 18.314 21.994 2.856 1.00 65.23 O ATOM 1051 CB GLU A 425 15.909 23.992 4.051 1.00 4.14 C ATOM 1052 CG GLU A 425 16.691 25.027 3.265 1.00 60.03 C ATOM 1053 CD GLU A 425 15.866 26.244 2.961 1.00 31.20 C ATOM 1054 OE1 GLU A 425 15.778 27.138 3.824 1.00 55.25 O ATOM 1055 OE2 GLU A 425 15.291 26.334 1.859 1.00 61.31 O ATOM 0 H GLU A 425 18.679 23.333 4.657 1.00 52.34 H new ATOM 0 HA GLU A 425 16.043 22.106 5.016 1.00 54.32 H new ATOM 0 HB2 GLU A 425 15.038 23.694 3.467 1.00 4.14 H new ATOM 0 HB3 GLU A 425 15.536 24.455 4.965 1.00 4.14 H new ATOM 0 HG2 GLU A 425 17.575 25.320 3.831 1.00 60.03 H new ATOM 0 HG3 GLU A 425 17.042 24.585 2.333 1.00 60.03 H new ATOM 1062 N ASN A 426 16.209 21.297 2.562 1.00 61.22 N ATOM 1063 CA ASN A 426 16.517 20.520 1.369 1.00 10.01 C ATOM 1064 C ASN A 426 16.726 21.430 0.189 1.00 33.34 C ATOM 1065 O ASN A 426 15.823 22.197 -0.192 1.00 2.24 O ATOM 1066 CB ASN A 426 15.406 19.510 1.028 1.00 55.42 C ATOM 1067 CG ASN A 426 15.208 18.432 2.068 1.00 22.21 C ATOM 1068 OD1 ASN A 426 15.840 17.387 2.024 1.00 55.21 O ATOM 1069 ND2 ASN A 426 14.320 18.661 2.997 1.00 60.35 N ATOM 0 H ASN A 426 15.232 21.258 2.851 1.00 61.22 H new ATOM 0 HA ASN A 426 17.430 19.965 1.584 1.00 10.01 H new ATOM 0 HB2 ASN A 426 14.468 20.049 0.897 1.00 55.42 H new ATOM 0 HB3 ASN A 426 15.639 19.039 0.073 1.00 55.42 H new ATOM 0 HD21 ASN A 426 14.138 17.958 3.713 1.00 60.35 H new ATOM 0 HD22 ASN A 426 13.808 19.543 3.007 1.00 60.35 H new ATOM 1076 N GLU A 427 17.908 21.372 -0.368 1.00 34.53 N ATOM 1077 CA GLU A 427 18.242 22.138 -1.529 1.00 51.50 C ATOM 1078 C GLU A 427 19.289 21.397 -2.350 1.00 12.23 C ATOM 1079 O GLU A 427 20.176 20.719 -1.794 1.00 51.33 O ATOM 1080 CB GLU A 427 18.743 23.542 -1.148 1.00 24.54 C ATOM 1081 CG GLU A 427 20.009 23.553 -0.308 1.00 34.43 C ATOM 1082 CD GLU A 427 20.458 24.942 0.046 1.00 50.44 C ATOM 1083 OE1 GLU A 427 20.987 25.656 -0.842 1.00 25.41 O ATOM 1084 OE2 GLU A 427 20.323 25.340 1.214 1.00 54.52 O ATOM 0 H GLU A 427 18.668 20.786 -0.022 1.00 34.53 H new ATOM 0 HA GLU A 427 17.341 22.265 -2.130 1.00 51.50 H new ATOM 0 HB2 GLU A 427 18.923 24.110 -2.061 1.00 24.54 H new ATOM 0 HB3 GLU A 427 17.955 24.059 -0.601 1.00 24.54 H new ATOM 0 HG2 GLU A 427 19.838 22.987 0.607 1.00 34.43 H new ATOM 0 HG3 GLU A 427 20.806 23.046 -0.852 1.00 34.43 H new ATOM 1091 N ILE A 428 19.165 21.480 -3.652 1.00 2.43 N ATOM 1092 CA ILE A 428 20.131 20.888 -4.550 1.00 55.42 C ATOM 1093 C ILE A 428 21.221 21.899 -4.778 1.00 11.15 C ATOM 1094 O ILE A 428 20.954 22.983 -5.255 1.00 61.23 O ATOM 1095 CB ILE A 428 19.487 20.511 -5.909 1.00 11.14 C ATOM 1096 CG1 ILE A 428 18.254 19.637 -5.670 1.00 32.34 C ATOM 1097 CG2 ILE A 428 20.502 19.786 -6.801 1.00 2.02 C ATOM 1098 CD1 ILE A 428 17.523 19.209 -6.924 1.00 72.53 C ATOM 0 H ILE A 428 18.395 21.958 -4.120 1.00 2.43 H new ATOM 0 HA ILE A 428 20.523 19.973 -4.106 1.00 55.42 H new ATOM 0 HB ILE A 428 19.178 21.422 -6.422 1.00 11.14 H new ATOM 0 HG12 ILE A 428 18.560 18.745 -5.123 1.00 32.34 H new ATOM 0 HG13 ILE A 428 17.559 20.181 -5.030 1.00 32.34 H new ATOM 0 HG21 ILE A 428 20.033 19.529 -7.751 1.00 2.02 H new ATOM 0 HG22 ILE A 428 21.357 20.437 -6.983 1.00 2.02 H new ATOM 0 HG23 ILE A 428 20.838 18.876 -6.304 1.00 2.02 H new ATOM 0 HD11 ILE A 428 16.665 18.594 -6.653 1.00 72.53 H new ATOM 0 HD12 ILE A 428 17.181 20.091 -7.465 1.00 72.53 H new ATOM 0 HD13 ILE A 428 18.196 18.633 -7.559 1.00 72.53 H new ATOM 1110 N VAL A 429 22.428 21.552 -4.432 1.00 11.21 N ATOM 1111 CA VAL A 429 23.543 22.462 -4.543 1.00 2.51 C ATOM 1112 C VAL A 429 24.020 22.547 -5.988 1.00 33.12 C ATOM 1113 O VAL A 429 23.963 23.604 -6.607 1.00 22.32 O ATOM 1114 CB VAL A 429 24.719 22.031 -3.615 1.00 43.24 C ATOM 1115 CG1 VAL A 429 25.902 22.977 -3.744 1.00 54.11 C ATOM 1116 CG2 VAL A 429 24.255 21.957 -2.165 1.00 45.23 C ATOM 0 H VAL A 429 22.671 20.632 -4.065 1.00 11.21 H new ATOM 0 HA VAL A 429 23.202 23.447 -4.224 1.00 2.51 H new ATOM 0 HB VAL A 429 25.046 21.040 -3.931 1.00 43.24 H new ATOM 0 HG11 VAL A 429 26.705 22.648 -3.084 1.00 54.11 H new ATOM 0 HG12 VAL A 429 26.257 22.977 -4.775 1.00 54.11 H new ATOM 0 HG13 VAL A 429 25.594 23.985 -3.466 1.00 54.11 H new ATOM 0 HG21 VAL A 429 25.089 21.655 -1.531 1.00 45.23 H new ATOM 0 HG22 VAL A 429 23.894 22.936 -1.848 1.00 45.23 H new ATOM 0 HG23 VAL A 429 23.450 21.228 -2.077 1.00 45.23 H new ATOM 1126 N SER A 430 24.481 21.437 -6.522 1.00 33.13 N ATOM 1127 CA SER A 430 24.988 21.380 -7.884 1.00 23.21 C ATOM 1128 C SER A 430 24.923 19.936 -8.386 1.00 22.51 C ATOM 1129 O SER A 430 24.802 19.008 -7.580 1.00 41.03 O ATOM 1130 CB SER A 430 26.444 21.900 -7.929 1.00 73.42 C ATOM 1131 OG SER A 430 26.532 23.248 -7.461 1.00 64.20 O ATOM 0 H SER A 430 24.517 20.546 -6.027 1.00 33.13 H new ATOM 0 HA SER A 430 24.376 22.012 -8.528 1.00 23.21 H new ATOM 0 HB2 SER A 430 27.080 21.259 -7.318 1.00 73.42 H new ATOM 0 HB3 SER A 430 26.821 21.843 -8.950 1.00 73.42 H new ATOM 0 HG SER A 430 27.464 23.548 -7.500 1.00 64.20 H new ATOM 1137 N VAL A 431 24.976 19.754 -9.699 1.00 75.13 N ATOM 1138 CA VAL A 431 24.946 18.425 -10.314 1.00 73.41 C ATOM 1139 C VAL A 431 25.972 18.368 -11.450 1.00 25.42 C ATOM 1140 O VAL A 431 25.973 19.234 -12.337 1.00 33.22 O ATOM 1141 CB VAL A 431 23.547 18.057 -10.897 1.00 13.35 C ATOM 1142 CG1 VAL A 431 23.568 16.643 -11.463 1.00 32.11 C ATOM 1143 CG2 VAL A 431 22.447 18.194 -9.852 1.00 30.41 C ATOM 0 H VAL A 431 25.041 20.519 -10.370 1.00 75.13 H new ATOM 0 HA VAL A 431 25.180 17.708 -9.527 1.00 73.41 H new ATOM 0 HB VAL A 431 23.327 18.760 -11.700 1.00 13.35 H new ATOM 0 HG11 VAL A 431 22.586 16.398 -11.867 1.00 32.11 H new ATOM 0 HG12 VAL A 431 24.313 16.580 -12.256 1.00 32.11 H new ATOM 0 HG13 VAL A 431 23.821 15.938 -10.671 1.00 32.11 H new ATOM 0 HG21 VAL A 431 21.488 17.929 -10.297 1.00 30.41 H new ATOM 0 HG22 VAL A 431 22.655 17.528 -9.015 1.00 30.41 H new ATOM 0 HG23 VAL A 431 22.410 19.223 -9.496 1.00 30.41 H new ATOM 1153 N LEU A 432 26.839 17.376 -11.422 1.00 63.51 N ATOM 1154 CA LEU A 432 27.889 17.244 -12.434 1.00 22.10 C ATOM 1155 C LEU A 432 28.027 15.792 -12.916 1.00 30.41 C ATOM 1156 O LEU A 432 27.949 14.867 -12.126 1.00 75.32 O ATOM 1157 CB LEU A 432 29.228 17.740 -11.862 1.00 14.05 C ATOM 1158 CG LEU A 432 30.447 17.666 -12.792 1.00 34.13 C ATOM 1159 CD1 LEU A 432 30.241 18.524 -14.033 1.00 72.31 C ATOM 1160 CD2 LEU A 432 31.705 18.084 -12.048 1.00 1.44 C ATOM 0 H LEU A 432 26.844 16.644 -10.712 1.00 63.51 H new ATOM 0 HA LEU A 432 27.610 17.855 -13.293 1.00 22.10 H new ATOM 0 HB2 LEU A 432 29.101 18.777 -11.550 1.00 14.05 H new ATOM 0 HB3 LEU A 432 29.449 17.162 -10.965 1.00 14.05 H new ATOM 0 HG LEU A 432 30.566 16.633 -13.119 1.00 34.13 H new ATOM 0 HD11 LEU A 432 31.120 18.453 -14.674 1.00 72.31 H new ATOM 0 HD12 LEU A 432 29.365 18.172 -14.578 1.00 72.31 H new ATOM 0 HD13 LEU A 432 30.091 19.562 -13.737 1.00 72.31 H new ATOM 0 HD21 LEU A 432 32.561 18.027 -12.720 1.00 1.44 H new ATOM 0 HD22 LEU A 432 31.593 19.107 -11.690 1.00 1.44 H new ATOM 0 HD23 LEU A 432 31.864 17.418 -11.200 1.00 1.44 H new ATOM 1172 N GLU A 433 28.215 15.601 -14.205 1.00 42.31 N ATOM 1173 CA GLU A 433 28.437 14.269 -14.739 1.00 74.23 C ATOM 1174 C GLU A 433 29.919 13.953 -14.659 1.00 61.31 C ATOM 1175 O GLU A 433 30.726 14.544 -15.380 1.00 73.33 O ATOM 1176 CB GLU A 433 27.994 14.176 -16.195 1.00 53.33 C ATOM 1177 CG GLU A 433 28.152 12.781 -16.798 1.00 44.13 C ATOM 1178 CD GLU A 433 27.874 12.761 -18.270 1.00 1.22 C ATOM 1179 OE1 GLU A 433 26.700 12.859 -18.671 1.00 32.40 O ATOM 1180 OE2 GLU A 433 28.835 12.646 -19.058 1.00 33.13 O ATOM 0 H GLU A 433 28.219 16.346 -14.902 1.00 42.31 H new ATOM 0 HA GLU A 433 27.853 13.559 -14.153 1.00 74.23 H new ATOM 0 HB2 GLU A 433 26.949 14.477 -16.267 1.00 53.33 H new ATOM 0 HB3 GLU A 433 28.572 14.886 -16.787 1.00 53.33 H new ATOM 0 HG2 GLU A 433 29.165 12.423 -16.617 1.00 44.13 H new ATOM 0 HG3 GLU A 433 27.475 12.091 -16.294 1.00 44.13 H new ATOM 1187 N ALA A 434 30.283 13.069 -13.773 1.00 24.20 N ATOM 1188 CA ALA A 434 31.675 12.677 -13.648 1.00 32.21 C ATOM 1189 C ALA A 434 31.837 11.183 -13.838 1.00 11.32 C ATOM 1190 O ALA A 434 32.947 10.687 -14.087 1.00 22.11 O ATOM 1191 CB ALA A 434 32.231 13.101 -12.301 1.00 71.40 C ATOM 0 H ALA A 434 29.646 12.604 -13.126 1.00 24.20 H new ATOM 0 HA ALA A 434 32.238 13.184 -14.432 1.00 32.21 H new ATOM 0 HB1 ALA A 434 33.275 12.798 -12.227 1.00 71.40 H new ATOM 0 HB2 ALA A 434 32.159 14.184 -12.202 1.00 71.40 H new ATOM 0 HB3 ALA A 434 31.658 12.626 -11.505 1.00 71.40 H new ATOM 1197 N GLN A 435 30.740 10.472 -13.756 1.00 21.32 N ATOM 1198 CA GLN A 435 30.744 9.035 -13.849 1.00 12.31 C ATOM 1199 C GLN A 435 29.935 8.573 -15.053 1.00 3.15 C ATOM 1200 O GLN A 435 29.283 9.387 -15.704 1.00 12.21 O ATOM 1201 CB GLN A 435 30.206 8.435 -12.550 1.00 32.12 C ATOM 1202 CG GLN A 435 31.099 8.681 -11.346 1.00 72.11 C ATOM 1203 CD GLN A 435 30.471 8.225 -10.050 1.00 11.30 C ATOM 1204 OE1 GLN A 435 29.798 8.991 -9.378 1.00 72.42 O ATOM 1205 NE2 GLN A 435 30.675 6.985 -9.692 1.00 43.24 N ATOM 0 H GLN A 435 29.814 10.878 -13.622 1.00 21.32 H new ATOM 0 HA GLN A 435 31.767 8.686 -13.992 1.00 12.31 H new ATOM 0 HB2 GLN A 435 29.219 8.851 -12.350 1.00 32.12 H new ATOM 0 HB3 GLN A 435 30.078 7.361 -12.682 1.00 32.12 H new ATOM 0 HG2 GLN A 435 32.046 8.160 -11.489 1.00 72.11 H new ATOM 0 HG3 GLN A 435 31.327 9.745 -11.280 1.00 72.11 H new ATOM 0 HE21 GLN A 435 31.243 6.372 -10.277 1.00 43.24 H new ATOM 0 HE22 GLN A 435 30.267 6.630 -8.827 1.00 43.24 H new ATOM 1214 N LYS A 436 29.991 7.268 -15.332 1.00 1.40 N ATOM 1215 CA LYS A 436 29.314 6.620 -16.484 1.00 64.33 C ATOM 1216 C LYS A 436 27.802 6.910 -16.612 1.00 34.45 C ATOM 1217 O LYS A 436 26.962 6.150 -16.147 1.00 31.33 O ATOM 1218 CB LYS A 436 29.663 5.097 -16.566 1.00 34.20 C ATOM 1219 CG LYS A 436 29.657 4.297 -15.214 1.00 21.14 C ATOM 1220 CD LYS A 436 28.298 4.249 -14.505 1.00 33.14 C ATOM 1221 CE LYS A 436 28.365 3.470 -13.196 1.00 11.43 C ATOM 1222 NZ LYS A 436 27.060 3.433 -12.493 1.00 42.32 N ATOM 0 H LYS A 436 30.517 6.609 -14.758 1.00 1.40 H new ATOM 0 HA LYS A 436 29.728 7.103 -17.369 1.00 64.33 H new ATOM 0 HB2 LYS A 436 28.955 4.622 -17.245 1.00 34.20 H new ATOM 0 HB3 LYS A 436 30.651 4.998 -17.015 1.00 34.20 H new ATOM 0 HG2 LYS A 436 29.986 3.276 -15.410 1.00 21.14 H new ATOM 0 HG3 LYS A 436 30.388 4.744 -14.540 1.00 21.14 H new ATOM 0 HD2 LYS A 436 27.957 5.265 -14.305 1.00 33.14 H new ATOM 0 HD3 LYS A 436 27.561 3.789 -15.164 1.00 33.14 H new ATOM 0 HE2 LYS A 436 28.694 2.451 -13.399 1.00 11.43 H new ATOM 0 HE3 LYS A 436 29.113 3.923 -12.545 1.00 11.43 H new ATOM 0 HZ1 LYS A 436 27.153 2.878 -11.618 1.00 42.32 H new ATOM 0 HZ2 LYS A 436 26.764 4.402 -12.259 1.00 42.32 H new ATOM 0 HZ3 LYS A 436 26.347 2.992 -13.108 1.00 42.32 H new ATOM 1236 N CYS A 437 27.478 8.051 -17.234 1.00 51.31 N ATOM 1237 CA CYS A 437 26.092 8.527 -17.355 1.00 3.03 C ATOM 1238 C CYS A 437 25.483 8.692 -15.956 1.00 43.43 C ATOM 1239 O CYS A 437 24.264 8.739 -15.784 1.00 61.00 O ATOM 1240 CB CYS A 437 25.252 7.558 -18.208 1.00 24.50 C ATOM 1241 SG CYS A 437 25.862 7.351 -19.920 1.00 55.03 S ATOM 0 H CYS A 437 28.165 8.669 -17.666 1.00 51.31 H new ATOM 0 HA CYS A 437 26.092 9.494 -17.858 1.00 3.03 H new ATOM 0 HB2 CYS A 437 25.233 6.584 -17.720 1.00 24.50 H new ATOM 0 HB3 CYS A 437 24.224 7.918 -18.241 1.00 24.50 H new ATOM 1246 N GLU A 438 26.360 8.830 -14.976 1.00 13.12 N ATOM 1247 CA GLU A 438 25.983 8.909 -13.609 1.00 24.21 C ATOM 1248 C GLU A 438 26.309 10.292 -13.094 1.00 44.15 C ATOM 1249 O GLU A 438 27.467 10.757 -13.157 1.00 32.44 O ATOM 1250 CB GLU A 438 26.658 7.773 -12.822 1.00 14.15 C ATOM 1251 CG GLU A 438 26.269 7.673 -11.361 1.00 61.02 C ATOM 1252 CD GLU A 438 26.702 6.344 -10.749 1.00 2.33 C ATOM 1253 OE1 GLU A 438 25.976 5.329 -10.925 1.00 53.15 O ATOM 1254 OE2 GLU A 438 27.744 6.266 -10.125 1.00 73.00 O ATOM 0 H GLU A 438 27.367 8.890 -15.130 1.00 13.12 H new ATOM 0 HA GLU A 438 24.910 8.768 -13.481 1.00 24.21 H new ATOM 0 HB2 GLU A 438 26.422 6.827 -13.309 1.00 14.15 H new ATOM 0 HB3 GLU A 438 27.738 7.903 -12.885 1.00 14.15 H new ATOM 0 HG2 GLU A 438 26.724 8.494 -10.807 1.00 61.02 H new ATOM 0 HG3 GLU A 438 25.189 7.783 -11.264 1.00 61.02 H new ATOM 1261 N TYR A 439 25.286 10.950 -12.636 1.00 24.23 N ATOM 1262 CA TYR A 439 25.341 12.330 -12.258 1.00 25.44 C ATOM 1263 C TYR A 439 25.528 12.534 -10.774 1.00 4.53 C ATOM 1264 O TYR A 439 24.792 11.980 -9.960 1.00 4.02 O ATOM 1265 CB TYR A 439 24.083 13.047 -12.782 1.00 42.15 C ATOM 1266 CG TYR A 439 24.045 13.088 -14.283 1.00 44.22 C ATOM 1267 CD1 TYR A 439 23.568 12.009 -15.013 1.00 4.13 C ATOM 1268 CD2 TYR A 439 24.507 14.193 -14.973 1.00 75.22 C ATOM 1269 CE1 TYR A 439 23.562 12.033 -16.388 1.00 53.32 C ATOM 1270 CE2 TYR A 439 24.494 14.226 -16.346 1.00 74.32 C ATOM 1271 CZ TYR A 439 24.022 13.143 -17.049 1.00 61.13 C ATOM 1272 OH TYR A 439 24.047 13.157 -18.418 1.00 43.35 O ATOM 0 H TYR A 439 24.365 10.530 -12.512 1.00 24.23 H new ATOM 0 HA TYR A 439 26.227 12.770 -12.717 1.00 25.44 H new ATOM 0 HB2 TYR A 439 23.194 12.538 -12.410 1.00 42.15 H new ATOM 0 HB3 TYR A 439 24.055 14.064 -12.390 1.00 42.15 H new ATOM 0 HD1 TYR A 439 23.196 11.138 -14.494 1.00 4.13 H new ATOM 0 HD2 TYR A 439 24.884 15.043 -14.424 1.00 75.22 H new ATOM 0 HE1 TYR A 439 23.197 11.182 -16.944 1.00 53.32 H new ATOM 0 HE2 TYR A 439 24.853 15.099 -16.871 1.00 74.32 H new ATOM 0 HH TYR A 439 24.947 12.930 -18.731 1.00 43.35 H new ATOM 1282 N LEU A 440 26.523 13.335 -10.439 1.00 0.35 N ATOM 1283 CA LEU A 440 26.834 13.689 -9.068 1.00 0.14 C ATOM 1284 C LEU A 440 25.840 14.718 -8.613 1.00 13.01 C ATOM 1285 O LEU A 440 25.835 15.834 -9.128 1.00 44.33 O ATOM 1286 CB LEU A 440 28.230 14.340 -8.969 1.00 72.41 C ATOM 1287 CG LEU A 440 29.443 13.553 -9.464 1.00 75.33 C ATOM 1288 CD1 LEU A 440 30.680 14.421 -9.366 1.00 4.43 C ATOM 1289 CD2 LEU A 440 29.642 12.298 -8.649 1.00 13.20 C ATOM 0 H LEU A 440 27.147 13.764 -11.123 1.00 0.35 H new ATOM 0 HA LEU A 440 26.805 12.784 -8.461 1.00 0.14 H new ATOM 0 HB2 LEU A 440 28.197 15.279 -9.522 1.00 72.41 H new ATOM 0 HB3 LEU A 440 28.404 14.592 -7.923 1.00 72.41 H new ATOM 0 HG LEU A 440 29.270 13.266 -10.501 1.00 75.33 H new ATOM 0 HD11 LEU A 440 31.546 13.861 -9.719 1.00 4.43 H new ATOM 0 HD12 LEU A 440 30.549 15.312 -9.980 1.00 4.43 H new ATOM 0 HD13 LEU A 440 30.836 14.716 -8.328 1.00 4.43 H new ATOM 0 HD21 LEU A 440 30.511 11.756 -9.022 1.00 13.20 H new ATOM 0 HD22 LEU A 440 29.801 12.564 -7.604 1.00 13.20 H new ATOM 0 HD23 LEU A 440 28.758 11.666 -8.732 1.00 13.20 H new ATOM 1301 N ILE A 441 24.999 14.366 -7.699 1.00 14.21 N ATOM 1302 CA ILE A 441 24.054 15.303 -7.185 1.00 61.02 C ATOM 1303 C ILE A 441 24.534 15.717 -5.834 1.00 61.04 C ATOM 1304 O ILE A 441 24.696 14.883 -4.950 1.00 21.23 O ATOM 1305 CB ILE A 441 22.643 14.709 -7.036 1.00 4.40 C ATOM 1306 CG1 ILE A 441 22.238 13.997 -8.318 1.00 33.44 C ATOM 1307 CG2 ILE A 441 21.643 15.814 -6.693 1.00 24.13 C ATOM 1308 CD1 ILE A 441 20.824 13.505 -8.324 1.00 52.31 C ATOM 0 H ILE A 441 24.946 13.433 -7.290 1.00 14.21 H new ATOM 0 HA ILE A 441 23.981 16.136 -7.884 1.00 61.02 H new ATOM 0 HB ILE A 441 22.646 13.982 -6.224 1.00 4.40 H new ATOM 0 HG12 ILE A 441 22.378 14.677 -9.158 1.00 33.44 H new ATOM 0 HG13 ILE A 441 22.906 13.151 -8.478 1.00 33.44 H new ATOM 0 HG21 ILE A 441 20.647 15.384 -6.590 1.00 24.13 H new ATOM 0 HG22 ILE A 441 21.933 16.289 -5.755 1.00 24.13 H new ATOM 0 HG23 ILE A 441 21.636 16.558 -7.489 1.00 24.13 H new ATOM 0 HD11 ILE A 441 20.615 13.010 -9.272 1.00 52.31 H new ATOM 0 HD12 ILE A 441 20.681 12.798 -7.506 1.00 52.31 H new ATOM 0 HD13 ILE A 441 20.145 14.348 -8.198 1.00 52.31 H new ATOM 1320 N LYS A 442 24.774 16.962 -5.663 1.00 3.10 N ATOM 1321 CA LYS A 442 25.267 17.425 -4.423 1.00 25.31 C ATOM 1322 C LYS A 442 24.125 18.141 -3.730 1.00 55.20 C ATOM 1323 O LYS A 442 23.535 19.063 -4.297 1.00 44.03 O ATOM 1324 CB LYS A 442 26.439 18.377 -4.684 1.00 54.23 C ATOM 1325 CG LYS A 442 27.493 18.391 -3.581 1.00 61.42 C ATOM 1326 CD LYS A 442 26.971 18.902 -2.253 1.00 73.13 C ATOM 1327 CE LYS A 442 28.013 18.736 -1.164 1.00 44.05 C ATOM 1328 NZ LYS A 442 29.287 19.392 -1.505 1.00 55.43 N ATOM 0 H LYS A 442 24.636 17.683 -6.371 1.00 3.10 H new ATOM 0 HA LYS A 442 25.626 16.610 -3.794 1.00 25.31 H new ATOM 0 HB2 LYS A 442 26.916 18.098 -5.623 1.00 54.23 H new ATOM 0 HB3 LYS A 442 26.050 19.387 -4.812 1.00 54.23 H new ATOM 0 HG2 LYS A 442 27.880 17.381 -3.446 1.00 61.42 H new ATOM 0 HG3 LYS A 442 28.330 19.013 -3.897 1.00 61.42 H new ATOM 0 HD2 LYS A 442 26.699 19.953 -2.345 1.00 73.13 H new ATOM 0 HD3 LYS A 442 26.065 18.361 -1.981 1.00 73.13 H new ATOM 0 HE2 LYS A 442 27.631 19.152 -0.232 1.00 44.05 H new ATOM 0 HE3 LYS A 442 28.188 17.674 -0.991 1.00 44.05 H new ATOM 0 HZ1 LYS A 442 29.895 19.430 -0.662 1.00 55.43 H new ATOM 0 HZ2 LYS A 442 29.766 18.852 -2.253 1.00 55.43 H new ATOM 0 HZ3 LYS A 442 29.101 20.358 -1.841 1.00 55.43 H new ATOM 1342 N MET A 443 23.795 17.719 -2.535 1.00 53.44 N ATOM 1343 CA MET A 443 22.689 18.291 -1.810 1.00 61.50 C ATOM 1344 C MET A 443 23.038 18.479 -0.374 1.00 71.33 C ATOM 1345 O MET A 443 24.110 18.056 0.099 1.00 4.51 O ATOM 1346 CB MET A 443 21.428 17.412 -1.869 1.00 14.40 C ATOM 1347 CG MET A 443 20.791 17.248 -3.223 1.00 35.03 C ATOM 1348 SD MET A 443 19.246 16.327 -3.132 1.00 71.13 S ATOM 1349 CE MET A 443 18.288 17.361 -2.001 1.00 25.23 C ATOM 0 H MET A 443 24.283 16.973 -2.040 1.00 53.44 H new ATOM 0 HA MET A 443 22.482 19.248 -2.290 1.00 61.50 H new ATOM 0 HB2 MET A 443 21.683 16.423 -1.489 1.00 14.40 H new ATOM 0 HB3 MET A 443 20.686 17.833 -1.191 1.00 14.40 H new ATOM 0 HG2 MET A 443 20.603 18.230 -3.657 1.00 35.03 H new ATOM 0 HG3 MET A 443 21.482 16.732 -3.889 1.00 35.03 H new ATOM 0 HE1 MET A 443 17.239 17.066 -2.038 1.00 25.23 H new ATOM 0 HE2 MET A 443 18.664 17.235 -0.986 1.00 25.23 H new ATOM 0 HE3 MET A 443 18.382 18.406 -2.296 1.00 25.23 H new ATOM 1359 N LYS A 444 22.147 19.099 0.318 1.00 64.41 N ATOM 1360 CA LYS A 444 22.247 19.290 1.710 1.00 11.41 C ATOM 1361 C LYS A 444 20.857 19.418 2.278 1.00 2.14 C ATOM 1362 O LYS A 444 19.979 19.995 1.644 1.00 34.21 O ATOM 1363 CB LYS A 444 23.149 20.483 2.048 1.00 61.52 C ATOM 1364 CG LYS A 444 22.749 21.802 1.465 1.00 34.34 C ATOM 1365 CD LYS A 444 23.872 22.773 1.673 1.00 14.23 C ATOM 1366 CE LYS A 444 23.488 24.178 1.250 1.00 4.34 C ATOM 1367 NZ LYS A 444 24.596 25.130 1.405 1.00 72.44 N ATOM 0 H LYS A 444 21.302 19.498 -0.090 1.00 64.41 H new ATOM 0 HA LYS A 444 22.727 18.428 2.173 1.00 11.41 H new ATOM 0 HB2 LYS A 444 23.188 20.586 3.132 1.00 61.52 H new ATOM 0 HB3 LYS A 444 24.160 20.253 1.713 1.00 61.52 H new ATOM 0 HG2 LYS A 444 22.531 21.696 0.402 1.00 34.34 H new ATOM 0 HG3 LYS A 444 21.839 22.167 1.942 1.00 34.34 H new ATOM 0 HD2 LYS A 444 24.160 22.776 2.724 1.00 14.23 H new ATOM 0 HD3 LYS A 444 24.744 22.448 1.105 1.00 14.23 H new ATOM 0 HE2 LYS A 444 23.165 24.166 0.209 1.00 4.34 H new ATOM 0 HE3 LYS A 444 22.638 24.514 1.843 1.00 4.34 H new ATOM 0 HZ1 LYS A 444 24.286 26.076 1.104 1.00 72.44 H new ATOM 0 HZ2 LYS A 444 24.888 25.163 2.403 1.00 72.44 H new ATOM 0 HZ3 LYS A 444 25.399 24.826 0.819 1.00 72.44 H new ATOM 1381 N SER A 445 20.653 18.820 3.418 1.00 23.42 N ATOM 1382 CA SER A 445 19.381 18.798 4.079 1.00 24.13 C ATOM 1383 C SER A 445 19.609 18.433 5.535 1.00 35.11 C ATOM 1384 O SER A 445 20.650 17.862 5.849 1.00 22.11 O ATOM 1385 CB SER A 445 18.506 17.737 3.413 1.00 73.15 C ATOM 1386 OG SER A 445 19.153 16.469 3.407 1.00 32.20 O ATOM 0 H SER A 445 21.385 18.323 3.925 1.00 23.42 H new ATOM 0 HA SER A 445 18.890 19.769 4.013 1.00 24.13 H new ATOM 0 HB2 SER A 445 17.556 17.661 3.941 1.00 73.15 H new ATOM 0 HB3 SER A 445 18.279 18.038 2.390 1.00 73.15 H new ATOM 0 HG SER A 445 18.572 15.807 2.977 1.00 32.20 H new ATOM 1392 N PRO A 446 18.679 18.757 6.446 1.00 42.22 N ATOM 1393 CA PRO A 446 18.804 18.384 7.869 1.00 53.21 C ATOM 1394 C PRO A 446 18.732 16.862 8.048 1.00 35.11 C ATOM 1395 O PRO A 446 19.305 16.292 8.987 1.00 12.54 O ATOM 1396 CB PRO A 446 17.589 19.055 8.527 1.00 22.34 C ATOM 1397 CG PRO A 446 16.628 19.297 7.411 1.00 12.24 C ATOM 1398 CD PRO A 446 17.457 19.542 6.191 1.00 43.04 C ATOM 0 HA PRO A 446 19.755 18.696 8.301 1.00 53.21 H new ATOM 0 HB2 PRO A 446 17.151 18.414 9.293 1.00 22.34 H new ATOM 0 HB3 PRO A 446 17.870 19.988 9.015 1.00 22.34 H new ATOM 0 HG2 PRO A 446 15.972 18.438 7.269 1.00 12.24 H new ATOM 0 HG3 PRO A 446 15.990 20.154 7.626 1.00 12.24 H new ATOM 0 HD2 PRO A 446 16.948 19.211 5.286 1.00 43.04 H new ATOM 0 HD3 PRO A 446 17.679 20.601 6.062 1.00 43.04 H new