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 179:sc= -0.0313 USER MOD Set 1.2: A 384 GLN : amide:sc= -1.59 K(o=-1.6,f=-0.6) USER MOD Set 1.3: A 439 TYR OH : rot 180:sc= 0 USER MOD Single : A 365 THR OG1 : rot 34:sc= 0.0477 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 381 ASN : amide:sc= -4.48! C(o=-4.5!,f=-2.7!) USER MOD Single : A 386 SER OG : rot 102:sc= 1.27 USER MOD Single : A 391 ASN : amide:sc= -3.01! K(o=-3!,f=-0.82) USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 395 GLN : amide:sc= -0.842 K(o=-0.84,f=0) USER MOD Single : A 398 ASN : amide:sc= -0.399 K(o=-0.4,f=-3.7!) USER MOD Single : A 401 LYS NZ :NH3+ -155:sc= 1.17 (180deg=0.961) USER MOD Single : A 402 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 404 ASN : amide:sc= -1.43 K(o=-1.4,f=0) USER MOD Single : A 406 GLN : amide:sc= -0.944 K(o=-0.94,f=-5.1!) USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 415 SER OG : rot -148:sc= 1.27 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 422 CYS SG : rot 180:sc=-0.00836 USER MOD Single : A 426 ASN : amide:sc= -0.604 K(o=-0.6,f=-1.7) USER MOD Single : A 430 SER OG : rot 180:sc= -0.0607 USER MOD Single : A 435 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.3) USER MOD Single : A 436 LYS NZ :NH3+ -107:sc= 0.257 (180deg=0.00254) USER MOD Single : A 442 LYS NZ :NH3+ -147:sc= 0.658 (180deg=0.253) USER MOD Single : A 443 MET CE :methyl 160:sc= -0.299 (180deg=-0.875) 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 12.774 17.281 -3.336 1.00 34.41 N ATOM 139 CA THR A 365 13.383 18.551 -3.577 1.00 72.45 C ATOM 140 C THR A 365 13.647 18.686 -5.073 1.00 53.35 C ATOM 141 O THR A 365 13.863 17.681 -5.749 1.00 15.33 O ATOM 142 CB THR A 365 14.710 18.615 -2.792 1.00 52.43 C ATOM 143 OG1 THR A 365 14.450 18.207 -1.434 1.00 1.50 O ATOM 144 CG2 THR A 365 15.257 20.031 -2.769 1.00 65.53 C ATOM 0 HA THR A 365 12.733 19.364 -3.252 1.00 72.45 H new ATOM 0 HB THR A 365 15.439 17.963 -3.273 1.00 52.43 H new ATOM 0 HG1 THR A 365 13.754 17.517 -1.427 1.00 1.50 H new ATOM 0 HG21 THR A 365 16.193 20.051 -2.210 1.00 65.53 H new ATOM 0 HG22 THR A 365 15.437 20.368 -3.790 1.00 65.53 H new ATOM 0 HG23 THR A 365 14.535 20.692 -2.291 1.00 65.53 H new ATOM 152 N LYS A 366 13.622 19.894 -5.598 1.00 14.24 N ATOM 153 CA LYS A 366 13.849 20.077 -6.993 1.00 72.43 C ATOM 154 C LYS A 366 14.726 21.272 -7.214 1.00 74.41 C ATOM 155 O LYS A 366 14.734 22.212 -6.408 1.00 22.45 O ATOM 156 CB LYS A 366 12.535 20.179 -7.793 1.00 70.11 C ATOM 157 CG LYS A 366 11.628 21.338 -7.420 1.00 10.21 C ATOM 158 CD LYS A 366 10.387 21.336 -8.295 1.00 61.30 C ATOM 159 CE LYS A 366 9.462 22.493 -7.975 1.00 51.03 C ATOM 160 NZ LYS A 366 8.264 22.491 -8.845 1.00 43.33 N ATOM 0 H LYS A 366 13.447 20.751 -5.073 1.00 14.24 H new ATOM 0 HA LYS A 366 14.362 19.192 -7.369 1.00 72.43 H new ATOM 0 HB2 LYS A 366 12.781 20.260 -8.852 1.00 70.11 H new ATOM 0 HB3 LYS A 366 11.979 19.250 -7.664 1.00 70.11 H new ATOM 0 HG2 LYS A 366 11.342 21.262 -6.371 1.00 10.21 H new ATOM 0 HG3 LYS A 366 12.163 22.280 -7.537 1.00 10.21 H new ATOM 0 HD2 LYS A 366 10.683 21.388 -9.343 1.00 61.30 H new ATOM 0 HD3 LYS A 366 9.851 20.396 -8.161 1.00 61.30 H new ATOM 0 HE2 LYS A 366 9.154 22.435 -6.931 1.00 51.03 H new ATOM 0 HE3 LYS A 366 9.999 23.433 -8.097 1.00 51.03 H new ATOM 0 HZ1 LYS A 366 7.654 23.296 -8.598 1.00 43.33 H new ATOM 0 HZ2 LYS A 366 8.557 22.571 -9.840 1.00 43.33 H new ATOM 0 HZ3 LYS A 366 7.738 21.604 -8.710 1.00 43.33 H new ATOM 174 N ARG A 367 15.483 21.227 -8.260 1.00 71.22 N ATOM 175 CA ARG A 367 16.399 22.276 -8.577 1.00 43.31 C ATOM 176 C ARG A 367 16.646 22.202 -10.062 1.00 31.15 C ATOM 177 O ARG A 367 16.804 21.111 -10.592 1.00 71.33 O ATOM 178 CB ARG A 367 17.707 22.003 -7.850 1.00 21.30 C ATOM 179 CG ARG A 367 18.636 23.179 -7.752 1.00 4.24 C ATOM 180 CD ARG A 367 18.083 24.197 -6.784 1.00 0.13 C ATOM 181 NE ARG A 367 18.942 25.373 -6.694 1.00 44.14 N ATOM 182 CZ ARG A 367 18.595 26.545 -6.173 1.00 60.44 C ATOM 183 NH1 ARG A 367 17.350 26.763 -5.765 1.00 1.11 N ATOM 184 NH2 ARG A 367 19.498 27.503 -6.065 1.00 54.45 N ATOM 0 H ARG A 367 15.484 20.454 -8.926 1.00 71.22 H new ATOM 0 HA ARG A 367 16.011 23.253 -8.288 1.00 43.31 H new ATOM 0 HB2 ARG A 367 17.479 21.654 -6.843 1.00 21.30 H new ATOM 0 HB3 ARG A 367 18.226 21.191 -8.359 1.00 21.30 H new ATOM 0 HG2 ARG A 367 19.620 22.848 -7.421 1.00 4.24 H new ATOM 0 HG3 ARG A 367 18.766 23.633 -8.735 1.00 4.24 H new ATOM 0 HD2 ARG A 367 17.085 24.498 -7.102 1.00 0.13 H new ATOM 0 HD3 ARG A 367 17.980 23.744 -5.798 1.00 0.13 H new ATOM 0 HE ARG A 367 19.889 25.288 -7.062 1.00 44.14 H new ATOM 0 HH11 ARG A 367 16.649 26.027 -5.850 1.00 1.11 H new ATOM 0 HH12 ARG A 367 17.095 27.667 -5.367 1.00 1.11 H new ATOM 0 HH21 ARG A 367 20.454 27.340 -6.381 1.00 54.45 H new ATOM 0 HH22 ARG A 367 19.239 28.405 -5.666 1.00 54.45 H new ATOM 198 N GLU A 368 16.668 23.300 -10.740 1.00 70.23 N ATOM 199 CA GLU A 368 16.893 23.247 -12.131 1.00 32.13 C ATOM 200 C GLU A 368 18.320 23.577 -12.513 1.00 22.41 C ATOM 201 O GLU A 368 18.844 24.642 -12.204 1.00 61.01 O ATOM 202 CB GLU A 368 15.800 23.976 -12.936 1.00 14.15 C ATOM 203 CG GLU A 368 15.456 25.420 -12.543 1.00 52.24 C ATOM 204 CD GLU A 368 16.530 26.427 -12.845 1.00 71.53 C ATOM 205 OE1 GLU A 368 16.809 26.669 -14.040 1.00 65.04 O ATOM 206 OE2 GLU A 368 17.092 27.017 -11.905 1.00 41.13 O ATOM 0 H GLU A 368 16.533 24.233 -10.351 1.00 70.23 H new ATOM 0 HA GLU A 368 16.787 22.205 -12.434 1.00 32.13 H new ATOM 0 HB2 GLU A 368 16.102 23.978 -13.983 1.00 14.15 H new ATOM 0 HB3 GLU A 368 14.886 23.385 -12.869 1.00 14.15 H new ATOM 0 HG2 GLU A 368 14.544 25.716 -13.062 1.00 52.24 H new ATOM 0 HG3 GLU A 368 15.239 25.450 -11.475 1.00 52.24 H new ATOM 213 N ILE A 369 18.963 22.621 -13.123 1.00 53.12 N ATOM 214 CA ILE A 369 20.321 22.787 -13.563 1.00 25.22 C ATOM 215 C ILE A 369 20.380 22.722 -15.084 1.00 41.52 C ATOM 216 O ILE A 369 19.913 21.756 -15.691 1.00 3.22 O ATOM 217 CB ILE A 369 21.319 21.724 -12.939 1.00 71.22 C ATOM 218 CG1 ILE A 369 21.463 21.849 -11.395 1.00 40.10 C ATOM 219 CG2 ILE A 369 22.688 21.779 -13.605 1.00 1.52 C ATOM 220 CD1 ILE A 369 20.263 21.403 -10.585 1.00 23.22 C ATOM 0 H ILE A 369 18.562 21.706 -13.329 1.00 53.12 H new ATOM 0 HA ILE A 369 20.648 23.765 -13.210 1.00 25.22 H new ATOM 0 HB ILE A 369 20.871 20.751 -13.139 1.00 71.22 H new ATOM 0 HG12 ILE A 369 22.328 21.265 -11.081 1.00 40.10 H new ATOM 0 HG13 ILE A 369 21.676 22.890 -11.152 1.00 40.10 H new ATOM 0 HG21 ILE A 369 23.344 21.036 -13.151 1.00 1.52 H new ATOM 0 HG22 ILE A 369 22.584 21.568 -14.669 1.00 1.52 H new ATOM 0 HG23 ILE A 369 23.118 22.772 -13.472 1.00 1.52 H new ATOM 0 HD11 ILE A 369 20.472 21.533 -9.523 1.00 23.22 H new ATOM 0 HD12 ILE A 369 19.395 22.002 -10.860 1.00 23.22 H new ATOM 0 HD13 ILE A 369 20.057 20.352 -10.788 1.00 23.22 H new ATOM 232 N GLY A 370 20.924 23.764 -15.684 1.00 43.35 N ATOM 233 CA GLY A 370 21.109 23.830 -17.123 1.00 64.14 C ATOM 234 C GLY A 370 19.820 23.778 -17.929 1.00 22.21 C ATOM 235 O GLY A 370 19.826 23.342 -19.070 1.00 62.32 O ATOM 0 H GLY A 370 21.251 24.592 -15.186 1.00 43.35 H new ATOM 0 HA2 GLY A 370 21.638 24.752 -17.366 1.00 64.14 H new ATOM 0 HA3 GLY A 370 21.749 23.004 -17.432 1.00 64.14 H new ATOM 239 N GLY A 371 18.726 24.208 -17.343 1.00 3.22 N ATOM 240 CA GLY A 371 17.465 24.238 -18.065 1.00 44.33 C ATOM 241 C GLY A 371 16.592 23.034 -17.787 1.00 62.25 C ATOM 242 O GLY A 371 15.397 23.035 -18.097 1.00 43.13 O ATOM 0 H GLY A 371 18.678 24.539 -16.379 1.00 3.22 H new ATOM 0 HA2 GLY A 371 16.921 25.143 -17.796 1.00 44.33 H new ATOM 0 HA3 GLY A 371 17.667 24.293 -19.135 1.00 44.33 H new ATOM 246 N TYR A 372 17.170 22.013 -17.215 1.00 23.24 N ATOM 247 CA TYR A 372 16.437 20.823 -16.874 1.00 25.11 C ATOM 248 C TYR A 372 16.246 20.682 -15.381 1.00 74.23 C ATOM 249 O TYR A 372 17.154 20.940 -14.590 1.00 44.20 O ATOM 250 CB TYR A 372 16.966 19.551 -17.589 1.00 14.23 C ATOM 251 CG TYR A 372 18.470 19.481 -17.766 1.00 42.52 C ATOM 252 CD1 TYR A 372 19.076 20.081 -18.865 1.00 24.24 C ATOM 253 CD2 TYR A 372 19.273 18.820 -16.870 1.00 33.51 C ATOM 254 CE1 TYR A 372 20.437 20.022 -19.055 1.00 25.12 C ATOM 255 CE2 TYR A 372 20.647 18.758 -17.055 1.00 3.35 C ATOM 256 CZ TYR A 372 21.219 19.361 -18.148 1.00 23.25 C ATOM 257 OH TYR A 372 22.587 19.298 -18.336 1.00 31.44 O ATOM 0 H TYR A 372 18.160 21.982 -16.972 1.00 23.24 H new ATOM 0 HA TYR A 372 15.431 20.942 -17.277 1.00 25.11 H new ATOM 0 HB2 TYR A 372 16.643 18.677 -17.024 1.00 14.23 H new ATOM 0 HB3 TYR A 372 16.498 19.486 -18.571 1.00 14.23 H new ATOM 0 HD1 TYR A 372 18.464 20.605 -19.585 1.00 24.24 H new ATOM 0 HD2 TYR A 372 18.829 18.342 -16.009 1.00 33.51 H new ATOM 0 HE1 TYR A 372 20.886 20.495 -19.916 1.00 25.12 H new ATOM 0 HE2 TYR A 372 21.266 18.236 -16.340 1.00 3.35 H new ATOM 0 HH TYR A 372 22.995 18.794 -17.602 1.00 31.44 H new ATOM 267 N THR A 373 15.063 20.288 -15.008 1.00 31.51 N ATOM 268 CA THR A 373 14.658 20.284 -13.635 1.00 1.33 C ATOM 269 C THR A 373 15.007 18.969 -12.968 1.00 52.22 C ATOM 270 O THR A 373 14.486 17.925 -13.332 1.00 53.52 O ATOM 271 CB THR A 373 13.137 20.513 -13.535 1.00 14.01 C ATOM 272 OG1 THR A 373 12.775 21.678 -14.313 1.00 23.10 O ATOM 273 CG2 THR A 373 12.721 20.732 -12.082 1.00 60.34 C ATOM 0 H THR A 373 14.347 19.958 -15.655 1.00 31.51 H new ATOM 0 HA THR A 373 15.189 21.088 -13.126 1.00 1.33 H new ATOM 0 HB THR A 373 12.625 19.631 -13.920 1.00 14.01 H new ATOM 0 HG1 THR A 373 11.808 21.824 -14.252 1.00 23.10 H new ATOM 0 HG21 THR A 373 11.644 20.892 -12.032 1.00 60.34 H new ATOM 0 HG22 THR A 373 12.985 19.855 -11.492 1.00 60.34 H new ATOM 0 HG23 THR A 373 13.236 21.606 -11.684 1.00 60.34 H new ATOM 281 N TYR A 374 15.877 19.030 -12.019 1.00 33.22 N ATOM 282 CA TYR A 374 16.254 17.884 -11.266 1.00 2.22 C ATOM 283 C TYR A 374 15.320 17.706 -10.116 1.00 43.31 C ATOM 284 O TYR A 374 15.077 18.643 -9.362 1.00 71.33 O ATOM 285 CB TYR A 374 17.688 18.008 -10.768 1.00 61.13 C ATOM 286 CG TYR A 374 18.723 17.792 -11.824 1.00 2.13 C ATOM 287 CD1 TYR A 374 19.079 18.793 -12.703 1.00 51.01 C ATOM 288 CD2 TYR A 374 19.359 16.570 -11.931 1.00 64.13 C ATOM 289 CE1 TYR A 374 20.039 18.580 -13.658 1.00 23.44 C ATOM 290 CE2 TYR A 374 20.316 16.354 -12.885 1.00 33.43 C ATOM 291 CZ TYR A 374 20.653 17.357 -13.741 1.00 62.35 C ATOM 292 OH TYR A 374 21.611 17.137 -14.687 1.00 44.01 O ATOM 0 H TYR A 374 16.353 19.888 -11.741 1.00 33.22 H new ATOM 0 HA TYR A 374 16.196 17.009 -11.913 1.00 2.22 H new ATOM 0 HB2 TYR A 374 17.827 18.999 -10.336 1.00 61.13 H new ATOM 0 HB3 TYR A 374 17.846 17.286 -9.967 1.00 61.13 H new ATOM 0 HD1 TYR A 374 18.596 19.757 -12.638 1.00 51.01 H new ATOM 0 HD2 TYR A 374 19.097 15.773 -11.251 1.00 64.13 H new ATOM 0 HE1 TYR A 374 20.310 19.371 -14.341 1.00 23.44 H new ATOM 0 HE2 TYR A 374 20.802 15.392 -12.958 1.00 33.43 H new ATOM 0 HH TYR A 374 21.955 16.224 -14.598 1.00 44.01 H new ATOM 302 N LYS A 375 14.786 16.532 -9.991 1.00 12.51 N ATOM 303 CA LYS A 375 13.902 16.226 -8.906 1.00 40.32 C ATOM 304 C LYS A 375 14.539 15.138 -8.106 1.00 65.34 C ATOM 305 O LYS A 375 14.835 14.082 -8.642 1.00 60.42 O ATOM 306 CB LYS A 375 12.569 15.676 -9.439 1.00 23.42 C ATOM 307 CG LYS A 375 11.543 15.389 -8.338 1.00 23.25 C ATOM 308 CD LYS A 375 10.384 14.511 -8.822 1.00 23.11 C ATOM 309 CE LYS A 375 9.670 15.085 -10.028 1.00 20.13 C ATOM 310 NZ LYS A 375 8.521 14.244 -10.436 1.00 74.41 N ATOM 0 H LYS A 375 14.949 15.759 -10.636 1.00 12.51 H new ATOM 0 HA LYS A 375 13.720 17.127 -8.320 1.00 40.32 H new ATOM 0 HB2 LYS A 375 12.145 16.392 -10.142 1.00 23.42 H new ATOM 0 HB3 LYS A 375 12.760 14.758 -9.995 1.00 23.42 H new ATOM 0 HG2 LYS A 375 12.041 14.897 -7.502 1.00 23.25 H new ATOM 0 HG3 LYS A 375 11.146 16.332 -7.962 1.00 23.25 H new ATOM 0 HD2 LYS A 375 10.765 13.520 -9.070 1.00 23.11 H new ATOM 0 HD3 LYS A 375 9.668 14.383 -8.010 1.00 23.11 H new ATOM 0 HE2 LYS A 375 9.321 16.092 -9.799 1.00 20.13 H new ATOM 0 HE3 LYS A 375 10.371 15.172 -10.859 1.00 20.13 H new ATOM 0 HZ1 LYS A 375 8.057 14.668 -11.264 1.00 74.41 H new ATOM 0 HZ2 LYS A 375 8.858 13.290 -10.678 1.00 74.41 H new ATOM 0 HZ3 LYS A 375 7.840 14.182 -9.652 1.00 74.41 H new ATOM 324 N VAL A 376 14.726 15.366 -6.856 1.00 71.00 N ATOM 325 CA VAL A 376 15.266 14.369 -5.995 1.00 65.53 C ATOM 326 C VAL A 376 14.229 14.031 -4.968 1.00 2.43 C ATOM 327 O VAL A 376 13.957 14.823 -4.070 1.00 73.05 O ATOM 328 CB VAL A 376 16.579 14.824 -5.287 1.00 71.04 C ATOM 329 CG1 VAL A 376 17.112 13.721 -4.375 1.00 33.03 C ATOM 330 CG2 VAL A 376 17.639 15.214 -6.306 1.00 74.35 C ATOM 0 H VAL A 376 14.509 16.251 -6.397 1.00 71.00 H new ATOM 0 HA VAL A 376 15.526 13.501 -6.601 1.00 65.53 H new ATOM 0 HB VAL A 376 16.344 15.698 -4.679 1.00 71.04 H new ATOM 0 HG11 VAL A 376 18.028 14.060 -3.891 1.00 33.03 H new ATOM 0 HG12 VAL A 376 16.367 13.485 -3.616 1.00 33.03 H new ATOM 0 HG13 VAL A 376 17.322 12.830 -4.966 1.00 33.03 H new ATOM 0 HG21 VAL A 376 18.545 15.527 -5.787 1.00 74.35 H new ATOM 0 HG22 VAL A 376 17.863 14.359 -6.943 1.00 74.35 H new ATOM 0 HG23 VAL A 376 17.269 16.036 -6.919 1.00 74.35 H new ATOM 340 N VAL A 377 13.603 12.883 -5.126 1.00 30.22 N ATOM 341 CA VAL A 377 12.626 12.448 -4.161 1.00 75.14 C ATOM 342 C VAL A 377 13.364 11.781 -3.008 1.00 31.14 C ATOM 343 O VAL A 377 12.809 11.563 -1.909 1.00 40.33 O ATOM 344 CB VAL A 377 11.640 11.453 -4.768 1.00 73.22 C ATOM 345 CG1 VAL A 377 10.518 11.181 -3.788 1.00 45.52 C ATOM 346 CG2 VAL A 377 11.096 11.956 -6.097 1.00 50.51 C ATOM 0 H VAL A 377 13.754 12.243 -5.906 1.00 30.22 H new ATOM 0 HA VAL A 377 12.058 13.314 -3.820 1.00 75.14 H new ATOM 0 HB VAL A 377 12.166 10.520 -4.967 1.00 73.22 H new ATOM 0 HG11 VAL A 377 9.817 10.470 -4.226 1.00 45.52 H new ATOM 0 HG12 VAL A 377 10.931 10.765 -2.869 1.00 45.52 H new ATOM 0 HG13 VAL A 377 9.998 12.112 -3.563 1.00 45.52 H new ATOM 0 HG21 VAL A 377 10.397 11.225 -6.504 1.00 50.51 H new ATOM 0 HG22 VAL A 377 10.581 12.905 -5.944 1.00 50.51 H new ATOM 0 HG23 VAL A 377 11.920 12.099 -6.797 1.00 50.51 H new ATOM 356 N PHE A 378 14.624 11.440 -3.299 1.00 1.32 N ATOM 357 CA PHE A 378 15.576 10.846 -2.366 1.00 34.54 C ATOM 358 C PHE A 378 15.225 9.370 -2.108 1.00 34.13 C ATOM 359 O PHE A 378 15.994 8.486 -2.402 1.00 13.43 O ATOM 360 CB PHE A 378 15.634 11.686 -1.060 1.00 54.52 C ATOM 361 CG PHE A 378 16.815 11.439 -0.158 1.00 20.51 C ATOM 362 CD1 PHE A 378 18.037 12.033 -0.434 1.00 12.41 C ATOM 363 CD2 PHE A 378 16.700 10.653 0.972 1.00 22.43 C ATOM 364 CE1 PHE A 378 19.120 11.843 0.402 1.00 21.24 C ATOM 365 CE2 PHE A 378 17.779 10.455 1.811 1.00 65.20 C ATOM 366 CZ PHE A 378 18.989 11.053 1.526 1.00 43.01 C ATOM 0 H PHE A 378 15.020 11.577 -4.229 1.00 1.32 H new ATOM 0 HA PHE A 378 16.575 10.860 -2.803 1.00 34.54 H new ATOM 0 HB2 PHE A 378 15.626 12.742 -1.332 1.00 54.52 H new ATOM 0 HB3 PHE A 378 14.724 11.497 -0.491 1.00 54.52 H new ATOM 0 HD1 PHE A 378 18.143 12.652 -1.313 1.00 12.41 H new ATOM 0 HD2 PHE A 378 15.753 10.187 1.203 1.00 22.43 H new ATOM 0 HE1 PHE A 378 20.067 12.311 0.177 1.00 21.24 H new ATOM 0 HE2 PHE A 378 17.676 9.833 2.688 1.00 65.20 H new ATOM 0 HZ PHE A 378 19.834 10.903 2.182 1.00 43.01 H new ATOM 376 N TYR A 379 14.034 9.124 -1.627 1.00 22.20 N ATOM 377 CA TYR A 379 13.608 7.775 -1.292 1.00 60.52 C ATOM 378 C TYR A 379 12.968 7.081 -2.495 1.00 40.13 C ATOM 379 O TYR A 379 12.734 5.873 -2.482 1.00 4.03 O ATOM 380 CB TYR A 379 12.648 7.811 -0.109 1.00 74.23 C ATOM 381 CG TYR A 379 13.228 8.521 1.096 1.00 42.21 C ATOM 382 CD1 TYR A 379 14.021 7.852 2.021 1.00 54.50 C ATOM 383 CD2 TYR A 379 12.988 9.868 1.298 1.00 33.14 C ATOM 384 CE1 TYR A 379 14.552 8.517 3.114 1.00 24.40 C ATOM 385 CE2 TYR A 379 13.510 10.538 2.380 1.00 61.45 C ATOM 386 CZ TYR A 379 14.291 9.862 3.286 1.00 62.42 C ATOM 387 OH TYR A 379 14.812 10.535 4.369 1.00 22.51 O ATOM 0 H TYR A 379 13.331 9.842 -1.455 1.00 22.20 H new ATOM 0 HA TYR A 379 14.488 7.196 -1.012 1.00 60.52 H new ATOM 0 HB2 TYR A 379 11.726 8.309 -0.410 1.00 74.23 H new ATOM 0 HB3 TYR A 379 12.383 6.791 0.169 1.00 74.23 H new ATOM 0 HD1 TYR A 379 14.226 6.800 1.886 1.00 54.50 H new ATOM 0 HD2 TYR A 379 12.376 10.407 0.589 1.00 33.14 H new ATOM 0 HE1 TYR A 379 15.166 7.987 3.827 1.00 24.40 H new ATOM 0 HE2 TYR A 379 13.307 11.590 2.517 1.00 61.45 H new ATOM 0 HH TYR A 379 14.532 11.473 4.337 1.00 22.51 H new ATOM 397 N GLU A 380 12.664 7.857 -3.524 1.00 52.33 N ATOM 398 CA GLU A 380 12.133 7.288 -4.748 1.00 71.24 C ATOM 399 C GLU A 380 13.177 7.213 -5.847 1.00 25.50 C ATOM 400 O GLU A 380 13.593 6.130 -6.228 1.00 12.22 O ATOM 401 CB GLU A 380 10.879 8.003 -5.262 1.00 5.25 C ATOM 402 CG GLU A 380 9.636 7.787 -4.444 1.00 11.33 C ATOM 403 CD GLU A 380 8.401 8.322 -5.132 1.00 61.32 C ATOM 404 OE1 GLU A 380 7.811 7.591 -5.965 1.00 52.44 O ATOM 405 OE2 GLU A 380 8.007 9.469 -4.872 1.00 62.44 O ATOM 0 H GLU A 380 12.775 8.871 -3.535 1.00 52.33 H new ATOM 0 HA GLU A 380 11.838 6.274 -4.478 1.00 71.24 H new ATOM 0 HB2 GLU A 380 11.083 9.073 -5.307 1.00 5.25 H new ATOM 0 HB3 GLU A 380 10.685 7.672 -6.282 1.00 5.25 H new ATOM 0 HG2 GLU A 380 9.510 6.722 -4.252 1.00 11.33 H new ATOM 0 HG3 GLU A 380 9.751 8.274 -3.476 1.00 11.33 H new ATOM 412 N ASN A 381 13.586 8.375 -6.371 1.00 21.52 N ATOM 413 CA ASN A 381 14.544 8.455 -7.492 1.00 34.20 C ATOM 414 C ASN A 381 14.787 9.898 -7.893 1.00 1.21 C ATOM 415 O ASN A 381 14.248 10.817 -7.241 1.00 73.52 O ATOM 416 CB ASN A 381 14.095 7.622 -8.723 1.00 42.21 C ATOM 417 CG ASN A 381 12.747 7.959 -9.314 1.00 45.23 C ATOM 418 OD1 ASN A 381 12.558 7.846 -10.492 1.00 41.23 O ATOM 419 ND2 ASN A 381 11.804 8.296 -8.507 1.00 30.32 N ATOM 0 H ASN A 381 13.267 9.284 -6.036 1.00 21.52 H new ATOM 0 HA ASN A 381 15.478 8.022 -7.134 1.00 34.20 H new ATOM 0 HB2 ASN A 381 14.847 7.736 -9.504 1.00 42.21 H new ATOM 0 HB3 ASN A 381 14.088 6.570 -8.438 1.00 42.21 H new ATOM 0 HD21 ASN A 381 10.866 8.475 -8.865 1.00 30.32 H new ATOM 0 HD22 ASN A 381 11.994 8.384 -7.509 1.00 30.32 H new ATOM 426 N VAL A 382 15.618 10.111 -8.931 1.00 12.51 N ATOM 427 CA VAL A 382 15.944 11.454 -9.405 1.00 5.41 C ATOM 428 C VAL A 382 15.695 11.581 -10.918 1.00 35.33 C ATOM 429 O VAL A 382 16.062 10.688 -11.697 1.00 64.22 O ATOM 430 CB VAL A 382 17.427 11.819 -9.107 1.00 33.55 C ATOM 431 CG1 VAL A 382 17.736 13.243 -9.550 1.00 3.41 C ATOM 432 CG2 VAL A 382 17.743 11.647 -7.634 1.00 72.13 C ATOM 0 H VAL A 382 16.073 9.362 -9.454 1.00 12.51 H new ATOM 0 HA VAL A 382 15.293 12.144 -8.869 1.00 5.41 H new ATOM 0 HB VAL A 382 18.057 11.136 -9.676 1.00 33.55 H new ATOM 0 HG11 VAL A 382 18.778 13.474 -9.331 1.00 3.41 H new ATOM 0 HG12 VAL A 382 17.561 13.337 -10.622 1.00 3.41 H new ATOM 0 HG13 VAL A 382 17.090 13.939 -9.015 1.00 3.41 H new ATOM 0 HG21 VAL A 382 18.785 11.909 -7.453 1.00 72.13 H new ATOM 0 HG22 VAL A 382 17.098 12.299 -7.045 1.00 72.13 H new ATOM 0 HG23 VAL A 382 17.573 10.610 -7.344 1.00 72.13 H new ATOM 442 N PHE A 383 15.092 12.691 -11.321 1.00 1.21 N ATOM 443 CA PHE A 383 14.792 12.956 -12.727 1.00 2.21 C ATOM 444 C PHE A 383 15.386 14.283 -13.161 1.00 74.34 C ATOM 445 O PHE A 383 15.799 15.091 -12.333 1.00 42.43 O ATOM 446 CB PHE A 383 13.278 13.084 -12.957 1.00 52.11 C ATOM 447 CG PHE A 383 12.442 11.905 -12.597 1.00 41.14 C ATOM 448 CD1 PHE A 383 11.942 11.766 -11.320 1.00 62.44 C ATOM 449 CD2 PHE A 383 12.125 10.952 -13.547 1.00 33.41 C ATOM 450 CE1 PHE A 383 11.145 10.705 -10.992 1.00 14.40 C ATOM 451 CE2 PHE A 383 11.326 9.878 -13.223 1.00 23.35 C ATOM 452 CZ PHE A 383 10.833 9.754 -11.945 1.00 24.22 C ATOM 0 H PHE A 383 14.796 13.433 -10.687 1.00 1.21 H new ATOM 0 HA PHE A 383 15.209 12.122 -13.292 1.00 2.21 H new ATOM 0 HB2 PHE A 383 12.919 13.941 -12.388 1.00 52.11 H new ATOM 0 HB3 PHE A 383 13.112 13.309 -14.011 1.00 52.11 H new ATOM 0 HD1 PHE A 383 12.183 12.504 -10.570 1.00 62.44 H new ATOM 0 HD2 PHE A 383 12.507 11.051 -14.552 1.00 33.41 H new ATOM 0 HE1 PHE A 383 10.759 10.610 -9.988 1.00 14.40 H new ATOM 0 HE2 PHE A 383 11.087 9.136 -13.970 1.00 23.35 H new ATOM 0 HZ PHE A 383 10.203 8.915 -11.687 1.00 24.22 H new ATOM 462 N GLN A 384 15.413 14.480 -14.461 1.00 61.12 N ATOM 463 CA GLN A 384 15.719 15.738 -15.095 1.00 33.13 C ATOM 464 C GLN A 384 14.634 16.054 -16.107 1.00 74.15 C ATOM 465 O GLN A 384 14.630 15.540 -17.237 1.00 2.13 O ATOM 466 CB GLN A 384 17.117 15.788 -15.724 1.00 22.22 C ATOM 467 CG GLN A 384 17.486 14.583 -16.583 1.00 63.41 C ATOM 468 CD GLN A 384 18.864 14.697 -17.230 1.00 44.31 C ATOM 469 OE1 GLN A 384 19.099 14.162 -18.311 1.00 14.20 O ATOM 470 NE2 GLN A 384 19.779 15.375 -16.576 1.00 42.24 N ATOM 0 H GLN A 384 15.214 13.736 -15.130 1.00 61.12 H new ATOM 0 HA GLN A 384 15.738 16.505 -14.321 1.00 33.13 H new ATOM 0 HB2 GLN A 384 17.190 16.687 -16.336 1.00 22.22 H new ATOM 0 HB3 GLN A 384 17.854 15.885 -14.926 1.00 22.22 H new ATOM 0 HG2 GLN A 384 17.456 13.684 -15.967 1.00 63.41 H new ATOM 0 HG3 GLN A 384 16.736 14.460 -17.364 1.00 63.41 H new ATOM 0 HE21 GLN A 384 19.551 15.807 -15.681 1.00 42.24 H new ATOM 0 HE22 GLN A 384 20.718 15.470 -16.963 1.00 42.24 H new ATOM 479 N ASP A 385 13.687 16.856 -15.660 1.00 61.34 N ATOM 480 CA ASP A 385 12.494 17.266 -16.418 1.00 74.14 C ATOM 481 C ASP A 385 11.557 16.101 -16.639 1.00 71.12 C ATOM 482 O ASP A 385 10.555 15.957 -15.944 1.00 71.45 O ATOM 483 CB ASP A 385 12.833 17.915 -17.765 1.00 24.22 C ATOM 484 CG ASP A 385 11.583 18.367 -18.495 1.00 61.42 C ATOM 485 OD1 ASP A 385 11.033 19.427 -18.154 1.00 12.22 O ATOM 486 OD2 ASP A 385 11.137 17.660 -19.411 1.00 10.03 O ATOM 0 H ASP A 385 13.718 17.262 -14.725 1.00 61.34 H new ATOM 0 HA ASP A 385 11.999 18.019 -15.805 1.00 74.14 H new ATOM 0 HB2 ASP A 385 13.490 18.770 -17.603 1.00 24.22 H new ATOM 0 HB3 ASP A 385 13.381 17.205 -18.385 1.00 24.22 H new ATOM 491 N SER A 386 11.904 15.280 -17.588 1.00 1.11 N ATOM 492 CA SER A 386 11.140 14.127 -17.940 1.00 50.32 C ATOM 493 C SER A 386 12.051 12.902 -17.997 1.00 32.10 C ATOM 494 O SER A 386 11.589 11.759 -17.881 1.00 44.10 O ATOM 495 CB SER A 386 10.483 14.356 -19.302 1.00 35.10 C ATOM 496 OG SER A 386 9.636 15.505 -19.276 1.00 51.34 O ATOM 0 H SER A 386 12.747 15.400 -18.150 1.00 1.11 H new ATOM 0 HA SER A 386 10.367 13.956 -17.190 1.00 50.32 H new ATOM 0 HB2 SER A 386 11.252 14.484 -20.064 1.00 35.10 H new ATOM 0 HB3 SER A 386 9.901 13.477 -19.581 1.00 35.10 H new ATOM 0 HG SER A 386 10.092 16.257 -19.709 1.00 51.34 H new ATOM 502 N ILE A 387 13.350 13.147 -18.138 1.00 32.01 N ATOM 503 CA ILE A 387 14.315 12.077 -18.274 1.00 60.30 C ATOM 504 C ILE A 387 14.796 11.578 -16.919 1.00 1.11 C ATOM 505 O ILE A 387 15.182 12.351 -16.056 1.00 25.55 O ATOM 506 CB ILE A 387 15.503 12.469 -19.208 1.00 32.03 C ATOM 507 CG1 ILE A 387 14.971 12.667 -20.641 1.00 25.54 C ATOM 508 CG2 ILE A 387 16.638 11.436 -19.172 1.00 41.33 C ATOM 509 CD1 ILE A 387 16.031 12.942 -21.678 1.00 52.31 C ATOM 0 H ILE A 387 13.754 14.084 -18.160 1.00 32.01 H new ATOM 0 HA ILE A 387 13.801 11.247 -18.758 1.00 60.30 H new ATOM 0 HB ILE A 387 15.934 13.403 -18.846 1.00 32.03 H new ATOM 0 HG12 ILE A 387 14.419 11.774 -20.935 1.00 25.54 H new ATOM 0 HG13 ILE A 387 14.262 13.495 -20.639 1.00 25.54 H new ATOM 0 HG21 ILE A 387 17.440 11.754 -19.838 1.00 41.33 H new ATOM 0 HG22 ILE A 387 17.022 11.352 -18.155 1.00 41.33 H new ATOM 0 HG23 ILE A 387 16.259 10.467 -19.497 1.00 41.33 H new ATOM 0 HD11 ILE A 387 15.562 13.067 -22.654 1.00 52.31 H new ATOM 0 HD12 ILE A 387 16.570 13.852 -21.415 1.00 52.31 H new ATOM 0 HD13 ILE A 387 16.729 12.106 -21.716 1.00 52.31 H new ATOM 521 N LEU A 388 14.729 10.295 -16.748 1.00 3.51 N ATOM 522 CA LEU A 388 15.102 9.634 -15.529 1.00 50.13 C ATOM 523 C LEU A 388 16.599 9.382 -15.462 1.00 31.11 C ATOM 524 O LEU A 388 17.179 8.762 -16.368 1.00 20.21 O ATOM 525 CB LEU A 388 14.346 8.311 -15.444 1.00 3.42 C ATOM 526 CG LEU A 388 14.694 7.383 -14.291 1.00 32.22 C ATOM 527 CD1 LEU A 388 14.440 8.046 -12.953 1.00 51.43 C ATOM 528 CD2 LEU A 388 13.904 6.106 -14.413 1.00 75.54 C ATOM 0 H LEU A 388 14.404 9.656 -17.473 1.00 3.51 H new ATOM 0 HA LEU A 388 14.844 10.277 -14.688 1.00 50.13 H new ATOM 0 HB2 LEU A 388 13.281 8.534 -15.388 1.00 3.42 H new ATOM 0 HB3 LEU A 388 14.509 7.768 -16.375 1.00 3.42 H new ATOM 0 HG LEU A 388 15.758 7.151 -14.342 1.00 32.22 H new ATOM 0 HD11 LEU A 388 14.699 7.356 -12.150 1.00 51.43 H new ATOM 0 HD12 LEU A 388 15.051 8.945 -12.870 1.00 51.43 H new ATOM 0 HD13 LEU A 388 13.387 8.315 -12.874 1.00 51.43 H new ATOM 0 HD21 LEU A 388 14.155 5.442 -13.586 1.00 75.54 H new ATOM 0 HD22 LEU A 388 12.838 6.333 -14.385 1.00 75.54 H new ATOM 0 HD23 LEU A 388 14.146 5.617 -15.357 1.00 75.54 H new ATOM 540 N LEU A 389 17.219 9.871 -14.399 1.00 62.43 N ATOM 541 CA LEU A 389 18.621 9.612 -14.158 1.00 70.23 C ATOM 542 C LEU A 389 18.785 8.203 -13.636 1.00 34.03 C ATOM 543 O LEU A 389 19.448 7.393 -14.238 1.00 52.32 O ATOM 544 CB LEU A 389 19.197 10.590 -13.143 1.00 10.12 C ATOM 545 CG LEU A 389 19.094 12.062 -13.489 1.00 34.30 C ATOM 546 CD1 LEU A 389 19.768 12.888 -12.422 1.00 41.54 C ATOM 547 CD2 LEU A 389 19.716 12.333 -14.839 1.00 23.41 C ATOM 0 H LEU A 389 16.768 10.450 -13.691 1.00 62.43 H new ATOM 0 HA LEU A 389 19.158 9.735 -15.098 1.00 70.23 H new ATOM 0 HB2 LEU A 389 18.694 10.428 -12.189 1.00 10.12 H new ATOM 0 HB3 LEU A 389 20.249 10.347 -12.994 1.00 10.12 H new ATOM 0 HG LEU A 389 18.041 12.340 -13.537 1.00 34.30 H new ATOM 0 HD11 LEU A 389 19.690 13.945 -12.677 1.00 41.54 H new ATOM 0 HD12 LEU A 389 19.282 12.709 -11.463 1.00 41.54 H new ATOM 0 HD13 LEU A 389 20.819 12.607 -12.354 1.00 41.54 H new ATOM 0 HD21 LEU A 389 19.633 13.395 -15.071 1.00 23.41 H new ATOM 0 HD22 LEU A 389 20.768 12.047 -14.819 1.00 23.41 H new ATOM 0 HD23 LEU A 389 19.197 11.753 -15.602 1.00 23.41 H new ATOM 559 N GLY A 390 18.147 7.921 -12.529 1.00 13.33 N ATOM 560 CA GLY A 390 18.246 6.625 -11.935 1.00 11.21 C ATOM 561 C GLY A 390 17.235 6.461 -10.845 1.00 61.14 C ATOM 562 O GLY A 390 16.596 7.439 -10.443 1.00 72.13 O ATOM 0 H GLY A 390 17.553 8.578 -12.024 1.00 13.33 H new ATOM 0 HA2 GLY A 390 18.095 5.859 -12.696 1.00 11.21 H new ATOM 0 HA3 GLY A 390 19.248 6.480 -11.532 1.00 11.21 H new ATOM 566 N ASN A 391 17.112 5.256 -10.336 1.00 31.24 N ATOM 567 CA ASN A 391 16.132 4.934 -9.315 1.00 45.22 C ATOM 568 C ASN A 391 16.791 4.525 -8.094 1.00 62.14 C ATOM 569 O ASN A 391 17.885 3.966 -8.138 1.00 32.22 O ATOM 570 CB ASN A 391 15.176 3.818 -9.709 1.00 32.53 C ATOM 571 CG ASN A 391 14.248 4.181 -10.801 1.00 23.45 C ATOM 572 OD1 ASN A 391 13.160 4.701 -10.567 1.00 32.42 O ATOM 573 ND2 ASN A 391 14.629 3.910 -11.981 1.00 23.10 N ATOM 0 H ASN A 391 17.691 4.465 -10.618 1.00 31.24 H new ATOM 0 HA ASN A 391 15.554 5.848 -9.179 1.00 45.22 H new ATOM 0 HB2 ASN A 391 15.756 2.947 -10.013 1.00 32.53 H new ATOM 0 HB3 ASN A 391 14.595 3.525 -8.834 1.00 32.53 H new ATOM 0 HD21 ASN A 391 14.024 4.124 -12.774 1.00 23.10 H new ATOM 0 HD22 ASN A 391 15.540 3.478 -12.136 1.00 23.10 H new ATOM 580 N PHE A 392 16.125 4.762 -7.007 1.00 52.52 N ATOM 581 CA PHE A 392 16.671 4.416 -5.678 1.00 11.12 C ATOM 582 C PHE A 392 17.052 2.934 -5.628 1.00 15.10 C ATOM 583 O PHE A 392 16.199 2.056 -5.789 1.00 53.25 O ATOM 584 CB PHE A 392 15.660 4.759 -4.576 1.00 33.21 C ATOM 585 CG PHE A 392 16.077 4.386 -3.182 1.00 32.55 C ATOM 586 CD1 PHE A 392 17.048 5.103 -2.524 1.00 54.03 C ATOM 587 CD2 PHE A 392 15.489 3.313 -2.534 1.00 60.53 C ATOM 588 CE1 PHE A 392 17.428 4.759 -1.245 1.00 11.31 C ATOM 589 CE2 PHE A 392 15.865 2.964 -1.256 1.00 54.25 C ATOM 590 CZ PHE A 392 16.835 3.688 -0.609 1.00 11.44 C ATOM 0 H PHE A 392 15.201 5.193 -6.986 1.00 52.52 H new ATOM 0 HA PHE A 392 17.572 5.006 -5.507 1.00 11.12 H new ATOM 0 HB2 PHE A 392 15.466 5.831 -4.605 1.00 33.21 H new ATOM 0 HB3 PHE A 392 14.718 4.259 -4.802 1.00 33.21 H new ATOM 0 HD1 PHE A 392 17.517 5.943 -3.014 1.00 54.03 H new ATOM 0 HD2 PHE A 392 14.724 2.741 -3.038 1.00 60.53 H new ATOM 0 HE1 PHE A 392 18.193 5.330 -0.739 1.00 11.31 H new ATOM 0 HE2 PHE A 392 15.398 2.123 -0.764 1.00 54.25 H new ATOM 0 HZ PHE A 392 17.133 3.420 0.394 1.00 11.44 H new ATOM 600 N ALA A 393 18.327 2.668 -5.454 1.00 34.13 N ATOM 601 CA ALA A 393 18.819 1.313 -5.418 1.00 23.42 C ATOM 602 C ALA A 393 19.374 0.964 -4.051 1.00 73.23 C ATOM 603 O ALA A 393 19.041 -0.086 -3.477 1.00 20.24 O ATOM 604 CB ALA A 393 19.872 1.103 -6.495 1.00 32.33 C ATOM 0 H ALA A 393 19.046 3.381 -5.334 1.00 34.13 H new ATOM 0 HA ALA A 393 17.980 0.645 -5.615 1.00 23.42 H new ATOM 0 HB1 ALA A 393 20.234 0.076 -6.455 1.00 32.33 H new ATOM 0 HB2 ALA A 393 19.434 1.296 -7.474 1.00 32.33 H new ATOM 0 HB3 ALA A 393 20.704 1.787 -6.329 1.00 32.33 H new ATOM 610 N SER A 394 20.203 1.828 -3.521 1.00 73.15 N ATOM 611 CA SER A 394 20.809 1.584 -2.246 1.00 43.35 C ATOM 612 C SER A 394 20.897 2.854 -1.429 1.00 15.12 C ATOM 613 O SER A 394 20.931 3.969 -1.983 1.00 62.40 O ATOM 614 CB SER A 394 22.203 0.973 -2.444 1.00 73.11 C ATOM 615 OG SER A 394 23.016 1.818 -3.244 1.00 73.00 O ATOM 0 H SER A 394 20.472 2.709 -3.959 1.00 73.15 H new ATOM 0 HA SER A 394 20.184 0.881 -1.695 1.00 43.35 H new ATOM 0 HB2 SER A 394 22.677 0.816 -1.475 1.00 73.11 H new ATOM 0 HB3 SER A 394 22.112 -0.005 -2.916 1.00 73.11 H new ATOM 0 HG SER A 394 23.900 1.411 -3.356 1.00 73.00 H new ATOM 621 N GLN A 395 20.902 2.684 -0.131 1.00 20.22 N ATOM 622 CA GLN A 395 21.074 3.754 0.798 1.00 21.35 C ATOM 623 C GLN A 395 22.110 3.327 1.799 1.00 51.53 C ATOM 624 O GLN A 395 21.926 2.339 2.512 1.00 45.22 O ATOM 625 CB GLN A 395 19.752 4.072 1.506 1.00 63.00 C ATOM 626 CG GLN A 395 19.849 5.165 2.564 1.00 21.52 C ATOM 627 CD GLN A 395 18.506 5.489 3.176 1.00 72.32 C ATOM 628 OE1 GLN A 395 18.096 4.888 4.166 1.00 3.01 O ATOM 629 NE2 GLN A 395 17.810 6.435 2.600 1.00 51.23 N ATOM 0 H GLN A 395 20.783 1.773 0.312 1.00 20.22 H new ATOM 0 HA GLN A 395 21.394 4.656 0.277 1.00 21.35 H new ATOM 0 HB2 GLN A 395 19.017 4.371 0.759 1.00 63.00 H new ATOM 0 HB3 GLN A 395 19.377 3.162 1.975 1.00 63.00 H new ATOM 0 HG2 GLN A 395 20.537 4.849 3.348 1.00 21.52 H new ATOM 0 HG3 GLN A 395 20.269 6.066 2.116 1.00 21.52 H new ATOM 0 HE21 GLN A 395 18.181 6.913 1.779 1.00 51.23 H new ATOM 0 HE22 GLN A 395 16.896 6.694 2.972 1.00 51.23 H new ATOM 638 N GLU A 396 23.180 4.044 1.849 1.00 21.42 N ATOM 639 CA GLU A 396 24.236 3.751 2.753 1.00 50.15 C ATOM 640 C GLU A 396 24.583 5.007 3.505 1.00 24.11 C ATOM 641 O GLU A 396 25.269 5.899 2.985 1.00 70.12 O ATOM 642 CB GLU A 396 25.428 3.183 1.992 1.00 13.50 C ATOM 643 CG GLU A 396 26.610 2.804 2.851 1.00 4.33 C ATOM 644 CD GLU A 396 27.684 2.142 2.044 1.00 0.03 C ATOM 645 OE1 GLU A 396 28.461 2.852 1.372 1.00 71.14 O ATOM 646 OE2 GLU A 396 27.769 0.896 2.067 1.00 21.01 O ATOM 0 H GLU A 396 23.347 4.858 1.257 1.00 21.42 H new ATOM 0 HA GLU A 396 23.930 2.993 3.474 1.00 50.15 H new ATOM 0 HB2 GLU A 396 25.101 2.302 1.440 1.00 13.50 H new ATOM 0 HB3 GLU A 396 25.754 3.918 1.256 1.00 13.50 H new ATOM 0 HG2 GLU A 396 27.012 3.695 3.332 1.00 4.33 H new ATOM 0 HG3 GLU A 396 26.284 2.132 3.645 1.00 4.33 H new ATOM 653 N GLY A 397 24.058 5.112 4.696 1.00 61.44 N ATOM 654 CA GLY A 397 24.239 6.296 5.477 1.00 2.50 C ATOM 655 C GLY A 397 23.437 7.415 4.886 1.00 2.31 C ATOM 656 O GLY A 397 22.214 7.320 4.780 1.00 14.30 O ATOM 0 H GLY A 397 23.500 4.386 5.144 1.00 61.44 H new ATOM 0 HA2 GLY A 397 23.928 6.116 6.506 1.00 2.50 H new ATOM 0 HA3 GLY A 397 25.294 6.567 5.506 1.00 2.50 H new ATOM 660 N ASN A 398 24.105 8.444 4.466 1.00 34.14 N ATOM 661 CA ASN A 398 23.436 9.559 3.839 1.00 5.43 C ATOM 662 C ASN A 398 23.698 9.562 2.342 1.00 14.41 C ATOM 663 O ASN A 398 23.265 10.459 1.628 1.00 30.13 O ATOM 664 CB ASN A 398 23.861 10.890 4.464 1.00 1.33 C ATOM 665 CG ASN A 398 25.324 11.251 4.263 1.00 64.45 C ATOM 666 OD1 ASN A 398 26.198 10.382 4.145 1.00 70.24 O ATOM 667 ND2 ASN A 398 25.599 12.532 4.254 1.00 0.25 N ATOM 0 H ASN A 398 25.117 8.542 4.543 1.00 34.14 H new ATOM 0 HA ASN A 398 22.365 9.443 4.006 1.00 5.43 H new ATOM 0 HB2 ASN A 398 23.244 11.685 4.045 1.00 1.33 H new ATOM 0 HB3 ASN A 398 23.654 10.856 5.534 1.00 1.33 H new ATOM 0 HD21 ASN A 398 26.564 12.846 4.147 1.00 0.25 H new ATOM 0 HD22 ASN A 398 24.848 13.215 4.354 1.00 0.25 H new ATOM 674 N VAL A 399 24.402 8.547 1.870 1.00 72.31 N ATOM 675 CA VAL A 399 24.707 8.438 0.460 1.00 13.01 C ATOM 676 C VAL A 399 23.788 7.416 -0.190 1.00 44.44 C ATOM 677 O VAL A 399 23.672 6.275 0.271 1.00 13.30 O ATOM 678 CB VAL A 399 26.186 8.063 0.193 1.00 13.21 C ATOM 679 CG1 VAL A 399 26.442 7.960 -1.307 1.00 11.11 C ATOM 680 CG2 VAL A 399 27.120 9.097 0.812 1.00 44.35 C ATOM 0 H VAL A 399 24.771 7.789 2.444 1.00 72.31 H new ATOM 0 HA VAL A 399 24.543 9.422 0.021 1.00 13.01 H new ATOM 0 HB VAL A 399 26.384 7.095 0.653 1.00 13.21 H new ATOM 0 HG11 VAL A 399 27.485 7.696 -1.481 1.00 11.11 H new ATOM 0 HG12 VAL A 399 25.797 7.192 -1.734 1.00 11.11 H new ATOM 0 HG13 VAL A 399 26.227 8.918 -1.779 1.00 11.11 H new ATOM 0 HG21 VAL A 399 28.155 8.817 0.614 1.00 44.35 H new ATOM 0 HG22 VAL A 399 26.919 10.076 0.376 1.00 44.35 H new ATOM 0 HG23 VAL A 399 26.955 9.138 1.889 1.00 44.35 H new ATOM 690 N LEU A 400 23.134 7.838 -1.226 1.00 34.11 N ATOM 691 CA LEU A 400 22.186 7.025 -1.950 1.00 53.10 C ATOM 692 C LEU A 400 22.598 6.904 -3.402 1.00 22.41 C ATOM 693 O LEU A 400 23.122 7.866 -3.990 1.00 62.15 O ATOM 694 CB LEU A 400 20.768 7.624 -1.863 1.00 11.55 C ATOM 695 CG LEU A 400 19.974 7.470 -0.542 1.00 31.30 C ATOM 696 CD1 LEU A 400 20.630 8.186 0.623 1.00 64.40 C ATOM 697 CD2 LEU A 400 18.568 7.969 -0.721 1.00 1.00 C ATOM 0 H LEU A 400 23.241 8.778 -1.607 1.00 34.11 H new ATOM 0 HA LEU A 400 22.176 6.035 -1.495 1.00 53.10 H new ATOM 0 HB2 LEU A 400 20.846 8.689 -2.079 1.00 11.55 H new ATOM 0 HB3 LEU A 400 20.172 7.180 -2.660 1.00 11.55 H new ATOM 0 HG LEU A 400 19.963 6.407 -0.302 1.00 31.30 H new ATOM 0 HD11 LEU A 400 20.030 8.044 1.522 1.00 64.40 H new ATOM 0 HD12 LEU A 400 21.628 7.779 0.785 1.00 64.40 H new ATOM 0 HD13 LEU A 400 20.704 9.251 0.401 1.00 64.40 H new ATOM 0 HD21 LEU A 400 18.020 7.856 0.214 1.00 1.00 H new ATOM 0 HD22 LEU A 400 18.589 9.021 -1.004 1.00 1.00 H new ATOM 0 HD23 LEU A 400 18.074 7.393 -1.503 1.00 1.00 H new ATOM 709 N LYS A 401 22.368 5.741 -3.982 1.00 11.02 N ATOM 710 CA LYS A 401 22.736 5.499 -5.362 1.00 33.12 C ATOM 711 C LYS A 401 21.451 5.216 -6.154 1.00 54.41 C ATOM 712 O LYS A 401 20.597 4.425 -5.713 1.00 35.32 O ATOM 713 CB LYS A 401 23.674 4.277 -5.441 1.00 64.15 C ATOM 714 CG LYS A 401 24.742 4.333 -6.542 1.00 64.20 C ATOM 715 CD LYS A 401 24.172 4.510 -7.932 1.00 35.24 C ATOM 716 CE LYS A 401 23.348 3.320 -8.403 1.00 54.03 C ATOM 717 NZ LYS A 401 24.131 2.058 -8.418 1.00 41.20 N ATOM 0 H LYS A 401 21.927 4.948 -3.516 1.00 11.02 H new ATOM 0 HA LYS A 401 23.253 6.365 -5.775 1.00 33.12 H new ATOM 0 HB2 LYS A 401 24.174 4.162 -4.479 1.00 64.15 H new ATOM 0 HB3 LYS A 401 23.067 3.384 -5.593 1.00 64.15 H new ATOM 0 HG2 LYS A 401 25.426 5.155 -6.332 1.00 64.20 H new ATOM 0 HG3 LYS A 401 25.329 3.415 -6.514 1.00 64.20 H new ATOM 0 HD2 LYS A 401 23.549 5.404 -7.950 1.00 35.24 H new ATOM 0 HD3 LYS A 401 24.989 4.677 -8.633 1.00 35.24 H new ATOM 0 HE2 LYS A 401 22.483 3.200 -7.751 1.00 54.03 H new ATOM 0 HE3 LYS A 401 22.967 3.519 -9.404 1.00 54.03 H new ATOM 0 HZ1 LYS A 401 23.714 1.399 -9.106 1.00 41.20 H new ATOM 0 HZ2 LYS A 401 25.115 2.263 -8.686 1.00 41.20 H new ATOM 0 HZ3 LYS A 401 24.113 1.627 -7.472 1.00 41.20 H new ATOM 731 N TYR A 402 21.310 5.860 -7.294 1.00 50.10 N ATOM 732 CA TYR A 402 20.146 5.711 -8.132 1.00 70.45 C ATOM 733 C TYR A 402 20.551 5.152 -9.509 1.00 53.33 C ATOM 734 O TYR A 402 21.244 5.810 -10.232 1.00 31.24 O ATOM 735 CB TYR A 402 19.486 7.077 -8.333 1.00 61.31 C ATOM 736 CG TYR A 402 19.187 7.837 -7.058 1.00 3.15 C ATOM 737 CD1 TYR A 402 17.981 7.689 -6.397 1.00 25.14 C ATOM 738 CD2 TYR A 402 20.123 8.711 -6.523 1.00 30.51 C ATOM 739 CE1 TYR A 402 17.717 8.390 -5.237 1.00 4.22 C ATOM 740 CE2 TYR A 402 19.869 9.412 -5.374 1.00 54.30 C ATOM 741 CZ TYR A 402 18.670 9.252 -4.731 1.00 51.55 C ATOM 742 OH TYR A 402 18.418 9.960 -3.586 1.00 4.12 O ATOM 0 H TYR A 402 22.007 6.506 -7.665 1.00 50.10 H new ATOM 0 HA TYR A 402 19.452 5.023 -7.649 1.00 70.45 H new ATOM 0 HB2 TYR A 402 20.135 7.689 -8.959 1.00 61.31 H new ATOM 0 HB3 TYR A 402 18.555 6.937 -8.881 1.00 61.31 H new ATOM 0 HD1 TYR A 402 17.235 7.016 -6.794 1.00 25.14 H new ATOM 0 HD2 TYR A 402 21.071 8.841 -7.023 1.00 30.51 H new ATOM 0 HE1 TYR A 402 16.772 8.265 -4.729 1.00 4.22 H new ATOM 0 HE2 TYR A 402 20.611 10.088 -4.976 1.00 54.30 H new ATOM 0 HH TYR A 402 19.194 10.518 -3.369 1.00 4.12 H new ATOM 752 N GLU A 403 20.108 3.953 -9.860 1.00 44.52 N ATOM 753 CA GLU A 403 20.444 3.360 -11.182 1.00 22.41 C ATOM 754 C GLU A 403 19.198 2.879 -11.894 1.00 70.41 C ATOM 755 O GLU A 403 18.105 3.072 -11.398 1.00 32.21 O ATOM 756 CB GLU A 403 21.411 2.198 -11.062 1.00 11.40 C ATOM 757 CG GLU A 403 20.938 1.085 -10.158 1.00 13.25 C ATOM 758 CD GLU A 403 21.874 -0.070 -10.188 1.00 72.25 C ATOM 759 OE1 GLU A 403 22.860 -0.057 -9.440 1.00 34.14 O ATOM 760 OE2 GLU A 403 21.651 -0.991 -10.977 1.00 13.34 O ATOM 0 H GLU A 403 19.521 3.365 -9.268 1.00 44.52 H new ATOM 0 HA GLU A 403 20.920 4.153 -11.758 1.00 22.41 H new ATOM 0 HB2 GLU A 403 21.595 1.790 -12.056 1.00 11.40 H new ATOM 0 HB3 GLU A 403 22.365 2.572 -10.690 1.00 11.40 H new ATOM 0 HG2 GLU A 403 20.848 1.456 -9.137 1.00 13.25 H new ATOM 0 HG3 GLU A 403 19.945 0.759 -10.468 1.00 13.25 H new ATOM 767 N ASN A 404 19.384 2.233 -13.060 1.00 54.30 N ATOM 768 CA ASN A 404 18.258 1.719 -13.886 1.00 52.13 C ATOM 769 C ASN A 404 17.496 2.866 -14.505 1.00 30.23 C ATOM 770 O ASN A 404 16.293 2.766 -14.746 1.00 73.13 O ATOM 771 CB ASN A 404 17.267 0.803 -13.083 1.00 31.00 C ATOM 772 CG ASN A 404 17.811 -0.567 -12.666 1.00 32.13 C ATOM 773 OD1 ASN A 404 17.058 -1.529 -12.564 1.00 30.43 O ATOM 774 ND2 ASN A 404 19.088 -0.670 -12.424 1.00 13.42 N ATOM 0 H ASN A 404 20.305 2.050 -13.459 1.00 54.30 H new ATOM 0 HA ASN A 404 18.707 1.101 -14.664 1.00 52.13 H new ATOM 0 HB2 ASN A 404 16.955 1.337 -12.185 1.00 31.00 H new ATOM 0 HB3 ASN A 404 16.374 0.649 -13.688 1.00 31.00 H new ATOM 0 HD21 ASN A 404 19.483 -1.567 -12.142 1.00 13.42 H new ATOM 0 HD22 ASN A 404 19.692 0.147 -12.517 1.00 13.42 H new ATOM 781 N GLY A 405 18.199 3.952 -14.797 1.00 52.02 N ATOM 782 CA GLY A 405 17.561 5.072 -15.413 1.00 4.14 C ATOM 783 C GLY A 405 17.490 4.904 -16.907 1.00 75.14 C ATOM 784 O GLY A 405 17.707 3.790 -17.436 1.00 53.43 O ATOM 0 H GLY A 405 19.196 4.066 -14.615 1.00 52.02 H new ATOM 0 HA2 GLY A 405 16.555 5.188 -15.009 1.00 4.14 H new ATOM 0 HA3 GLY A 405 18.108 5.983 -15.172 1.00 4.14 H new ATOM 788 N GLN A 406 17.213 5.988 -17.591 1.00 44.14 N ATOM 789 CA GLN A 406 17.129 5.994 -19.037 1.00 31.30 C ATOM 790 C GLN A 406 18.412 5.513 -19.667 1.00 54.44 C ATOM 791 O GLN A 406 19.511 5.727 -19.125 1.00 12.30 O ATOM 792 CB GLN A 406 16.781 7.386 -19.554 1.00 51.13 C ATOM 793 CG GLN A 406 15.339 7.809 -19.346 1.00 1.44 C ATOM 794 CD GLN A 406 14.363 7.043 -20.227 1.00 42.13 C ATOM 795 OE1 GLN A 406 14.568 5.874 -20.569 1.00 54.24 O ATOM 796 NE2 GLN A 406 13.309 7.698 -20.614 1.00 72.13 N ATOM 0 H GLN A 406 17.038 6.896 -17.161 1.00 44.14 H new ATOM 0 HA GLN A 406 16.333 5.305 -19.319 1.00 31.30 H new ATOM 0 HB2 GLN A 406 17.430 8.111 -19.064 1.00 51.13 H new ATOM 0 HB3 GLN A 406 17.005 7.427 -20.620 1.00 51.13 H new ATOM 0 HG2 GLN A 406 15.070 7.661 -18.300 1.00 1.44 H new ATOM 0 HG3 GLN A 406 15.246 8.875 -19.551 1.00 1.44 H new ATOM 0 HE21 GLN A 406 13.169 8.663 -20.314 1.00 72.13 H new ATOM 0 HE22 GLN A 406 12.622 7.247 -21.218 1.00 72.13 H new ATOM 805 N SER A 407 18.277 4.831 -20.774 1.00 71.02 N ATOM 806 CA SER A 407 19.405 4.361 -21.506 1.00 45.52 C ATOM 807 C SER A 407 20.188 5.564 -22.014 1.00 41.14 C ATOM 808 O SER A 407 19.654 6.411 -22.741 1.00 22.04 O ATOM 809 CB SER A 407 18.936 3.467 -22.642 1.00 31.43 C ATOM 810 OG SER A 407 18.164 2.379 -22.130 1.00 51.13 O ATOM 0 H SER A 407 17.376 4.590 -21.187 1.00 71.02 H new ATOM 0 HA SER A 407 20.061 3.766 -20.871 1.00 45.52 H new ATOM 0 HB2 SER A 407 18.339 4.046 -23.347 1.00 31.43 H new ATOM 0 HB3 SER A 407 19.796 3.085 -23.192 1.00 31.43 H new ATOM 0 HG SER A 407 17.866 1.812 -22.872 1.00 51.13 H new ATOM 816 N CYS A 408 21.427 5.650 -21.598 1.00 22.23 N ATOM 817 CA CYS A 408 22.275 6.783 -21.905 1.00 61.40 C ATOM 818 C CYS A 408 22.713 6.778 -23.363 1.00 23.11 C ATOM 819 O CYS A 408 23.139 7.809 -23.883 1.00 21.44 O ATOM 820 CB CYS A 408 23.494 6.764 -20.969 1.00 0.13 C ATOM 821 SG CYS A 408 24.693 8.116 -21.187 1.00 13.13 S ATOM 0 H CYS A 408 21.882 4.933 -21.033 1.00 22.23 H new ATOM 0 HA CYS A 408 21.706 7.700 -21.748 1.00 61.40 H new ATOM 0 HB2 CYS A 408 23.136 6.785 -19.940 1.00 0.13 H new ATOM 0 HB3 CYS A 408 24.016 5.817 -21.105 1.00 0.13 H new ATOM 889 N ARG A 414 21.567 4.956 -17.346 1.00 54.32 N ATOM 890 CA ARG A 414 22.246 5.971 -16.610 1.00 1.24 C ATOM 891 C ARG A 414 21.980 5.879 -15.111 1.00 13.23 C ATOM 892 O ARG A 414 21.146 5.057 -14.659 1.00 1.45 O ATOM 893 CB ARG A 414 21.995 7.339 -17.214 1.00 43.04 C ATOM 894 CG ARG A 414 20.620 7.928 -17.066 1.00 2.40 C ATOM 895 CD ARG A 414 20.435 9.043 -18.086 1.00 42.11 C ATOM 896 NE ARG A 414 21.635 9.903 -18.206 1.00 42.21 N ATOM 897 CZ ARG A 414 21.991 10.545 -19.340 1.00 33.22 C ATOM 898 NH1 ARG A 414 21.187 10.525 -20.387 1.00 43.34 N ATOM 899 NH2 ARG A 414 23.142 11.205 -19.419 1.00 72.45 N ATOM 0 HA ARG A 414 23.319 5.800 -16.700 1.00 1.24 H new ATOM 0 HB2 ARG A 414 22.707 8.036 -16.773 1.00 43.04 H new ATOM 0 HB3 ARG A 414 22.222 7.282 -18.278 1.00 43.04 H new ATOM 0 HG2 ARG A 414 19.864 7.157 -17.213 1.00 2.40 H new ATOM 0 HG3 ARG A 414 20.486 8.317 -16.057 1.00 2.40 H new ATOM 0 HD2 ARG A 414 20.205 8.608 -19.058 1.00 42.11 H new ATOM 0 HD3 ARG A 414 19.580 9.655 -17.800 1.00 42.11 H new ATOM 0 HE ARG A 414 22.228 10.017 -17.384 1.00 42.21 H new ATOM 0 HH11 ARG A 414 20.299 10.025 -20.339 1.00 43.34 H new ATOM 0 HH12 ARG A 414 21.454 11.009 -21.244 1.00 43.34 H new ATOM 0 HH21 ARG A 414 23.771 11.232 -18.616 1.00 72.45 H new ATOM 0 HH22 ARG A 414 23.397 11.685 -20.282 1.00 72.45 H new ATOM 913 N SER A 415 22.683 6.683 -14.351 1.00 74.42 N ATOM 914 CA SER A 415 22.661 6.586 -12.924 1.00 1.03 C ATOM 915 C SER A 415 22.842 7.976 -12.279 1.00 41.54 C ATOM 916 O SER A 415 23.186 8.957 -12.957 1.00 14.22 O ATOM 917 CB SER A 415 23.794 5.612 -12.523 1.00 75.52 C ATOM 918 OG SER A 415 23.921 5.427 -11.128 1.00 0.54 O ATOM 0 H SER A 415 23.286 7.422 -14.712 1.00 74.42 H new ATOM 0 HA SER A 415 21.702 6.210 -12.569 1.00 1.03 H new ATOM 0 HB2 SER A 415 23.613 4.645 -12.993 1.00 75.52 H new ATOM 0 HB3 SER A 415 24.739 5.986 -12.918 1.00 75.52 H new ATOM 0 HG SER A 415 24.862 5.268 -10.903 1.00 0.54 H new ATOM 924 N ALA A 416 22.594 8.046 -10.993 1.00 5.14 N ATOM 925 CA ALA A 416 22.725 9.251 -10.219 1.00 60.25 C ATOM 926 C ALA A 416 23.231 8.888 -8.830 1.00 42.43 C ATOM 927 O ALA A 416 22.830 7.874 -8.264 1.00 41.31 O ATOM 928 CB ALA A 416 21.380 9.986 -10.131 1.00 75.45 C ATOM 0 H ALA A 416 22.287 7.243 -10.444 1.00 5.14 H new ATOM 0 HA ALA A 416 23.436 9.921 -10.703 1.00 60.25 H new ATOM 0 HB1 ALA A 416 21.500 10.895 -9.541 1.00 75.45 H new ATOM 0 HB2 ALA A 416 21.041 10.246 -11.134 1.00 75.45 H new ATOM 0 HB3 ALA A 416 20.643 9.340 -9.655 1.00 75.45 H new ATOM 934 N ILE A 417 24.118 9.678 -8.305 1.00 62.22 N ATOM 935 CA ILE A 417 24.672 9.447 -6.982 1.00 22.42 C ATOM 936 C ILE A 417 24.473 10.709 -6.141 1.00 71.43 C ATOM 937 O ILE A 417 24.728 11.812 -6.615 1.00 45.31 O ATOM 938 CB ILE A 417 26.199 9.068 -7.064 1.00 4.41 C ATOM 939 CG1 ILE A 417 26.795 8.770 -5.685 1.00 33.13 C ATOM 940 CG2 ILE A 417 27.007 10.127 -7.773 1.00 0.40 C ATOM 941 CD1 ILE A 417 26.210 7.556 -5.003 1.00 22.44 C ATOM 0 H ILE A 417 24.486 10.506 -8.773 1.00 62.22 H new ATOM 0 HA ILE A 417 24.155 8.608 -6.516 1.00 22.42 H new ATOM 0 HB ILE A 417 26.254 8.153 -7.654 1.00 4.41 H new ATOM 0 HG12 ILE A 417 27.871 8.630 -5.790 1.00 33.13 H new ATOM 0 HG13 ILE A 417 26.648 9.639 -5.043 1.00 33.13 H new ATOM 0 HG21 ILE A 417 28.054 9.824 -7.807 1.00 0.40 H new ATOM 0 HG22 ILE A 417 26.632 10.251 -8.789 1.00 0.40 H new ATOM 0 HG23 ILE A 417 26.919 11.072 -7.236 1.00 0.40 H new ATOM 0 HD11 ILE A 417 26.688 7.418 -4.033 1.00 22.44 H new ATOM 0 HD12 ILE A 417 25.139 7.699 -4.862 1.00 22.44 H new ATOM 0 HD13 ILE A 417 26.381 6.674 -5.621 1.00 22.44 H new ATOM 953 N VAL A 418 23.996 10.569 -4.927 1.00 41.55 N ATOM 954 CA VAL A 418 23.782 11.745 -4.113 1.00 21.03 C ATOM 955 C VAL A 418 24.865 11.874 -3.027 1.00 21.02 C ATOM 956 O VAL A 418 25.138 10.938 -2.273 1.00 4.42 O ATOM 957 CB VAL A 418 22.341 11.810 -3.484 1.00 75.40 C ATOM 958 CG1 VAL A 418 22.119 10.752 -2.437 1.00 31.03 C ATOM 959 CG2 VAL A 418 22.029 13.199 -2.948 1.00 51.12 C ATOM 0 H VAL A 418 23.754 9.680 -4.489 1.00 41.55 H new ATOM 0 HA VAL A 418 23.862 12.599 -4.786 1.00 21.03 H new ATOM 0 HB VAL A 418 21.640 11.600 -4.292 1.00 75.40 H new ATOM 0 HG11 VAL A 418 21.109 10.843 -2.036 1.00 31.03 H new ATOM 0 HG12 VAL A 418 22.245 9.766 -2.884 1.00 31.03 H new ATOM 0 HG13 VAL A 418 22.842 10.880 -1.631 1.00 31.03 H new ATOM 0 HG21 VAL A 418 21.026 13.207 -2.521 1.00 51.12 H new ATOM 0 HG22 VAL A 418 22.754 13.463 -2.178 1.00 51.12 H new ATOM 0 HG23 VAL A 418 22.083 13.923 -3.761 1.00 51.12 H new ATOM 969 N THR A 419 25.496 13.004 -3.002 1.00 33.45 N ATOM 970 CA THR A 419 26.469 13.325 -2.013 1.00 10.23 C ATOM 971 C THR A 419 25.905 14.466 -1.145 1.00 63.35 C ATOM 972 O THR A 419 25.660 15.582 -1.628 1.00 43.13 O ATOM 973 CB THR A 419 27.798 13.748 -2.684 1.00 12.45 C ATOM 974 OG1 THR A 419 28.228 12.699 -3.583 1.00 3.44 O ATOM 975 CG2 THR A 419 28.882 13.975 -1.637 1.00 52.40 C ATOM 0 H THR A 419 25.344 13.745 -3.686 1.00 33.45 H new ATOM 0 HA THR A 419 26.679 12.455 -1.390 1.00 10.23 H new ATOM 0 HB THR A 419 27.634 14.677 -3.230 1.00 12.45 H new ATOM 0 HG1 THR A 419 29.069 12.961 -4.013 1.00 3.44 H new ATOM 0 HG21 THR A 419 29.808 14.272 -2.130 1.00 52.40 H new ATOM 0 HG22 THR A 419 28.567 14.762 -0.952 1.00 52.40 H new ATOM 0 HG23 THR A 419 29.047 13.054 -1.079 1.00 52.40 H new ATOM 983 N VAL A 420 25.678 14.173 0.106 1.00 43.42 N ATOM 984 CA VAL A 420 25.064 15.109 1.024 1.00 33.03 C ATOM 985 C VAL A 420 26.090 15.692 1.992 1.00 43.42 C ATOM 986 O VAL A 420 26.936 14.974 2.498 1.00 72.03 O ATOM 987 CB VAL A 420 23.916 14.436 1.819 1.00 50.32 C ATOM 988 CG1 VAL A 420 23.276 15.415 2.782 1.00 14.32 C ATOM 989 CG2 VAL A 420 22.869 13.860 0.874 1.00 35.11 C ATOM 0 H VAL A 420 25.913 13.274 0.526 1.00 43.42 H new ATOM 0 HA VAL A 420 24.650 15.922 0.427 1.00 33.03 H new ATOM 0 HB VAL A 420 24.346 13.619 2.398 1.00 50.32 H new ATOM 0 HG11 VAL A 420 22.474 14.918 3.327 1.00 14.32 H new ATOM 0 HG12 VAL A 420 24.025 15.774 3.487 1.00 14.32 H new ATOM 0 HG13 VAL A 420 22.868 16.259 2.225 1.00 14.32 H new ATOM 0 HG21 VAL A 420 22.073 13.393 1.454 1.00 35.11 H new ATOM 0 HG22 VAL A 420 22.451 14.660 0.263 1.00 35.11 H new ATOM 0 HG23 VAL A 420 23.333 13.115 0.228 1.00 35.11 H new ATOM 999 N GLU A 421 26.043 17.002 2.202 1.00 53.53 N ATOM 1000 CA GLU A 421 26.947 17.661 3.157 1.00 34.51 C ATOM 1001 C GLU A 421 26.200 18.094 4.426 1.00 11.31 C ATOM 1002 O GLU A 421 26.808 18.647 5.343 1.00 74.12 O ATOM 1003 CB GLU A 421 27.598 18.896 2.527 1.00 20.34 C ATOM 1004 CG GLU A 421 26.600 19.962 2.087 1.00 54.40 C ATOM 1005 CD GLU A 421 27.257 21.218 1.580 1.00 75.33 C ATOM 1006 OE1 GLU A 421 27.686 22.034 2.395 1.00 63.03 O ATOM 1007 OE2 GLU A 421 27.341 21.416 0.351 1.00 20.33 O ATOM 0 H GLU A 421 25.395 17.632 1.730 1.00 53.53 H new ATOM 0 HA GLU A 421 27.715 16.934 3.422 1.00 34.51 H new ATOM 0 HB2 GLU A 421 28.292 19.335 3.244 1.00 20.34 H new ATOM 0 HB3 GLU A 421 28.187 18.584 1.664 1.00 20.34 H new ATOM 0 HG2 GLU A 421 25.962 19.552 1.304 1.00 54.40 H new ATOM 0 HG3 GLU A 421 25.952 20.212 2.927 1.00 54.40 H new ATOM 1014 N CYS A 422 24.876 17.836 4.462 1.00 34.21 N ATOM 1015 CA CYS A 422 23.994 18.257 5.576 1.00 63.31 C ATOM 1016 C CYS A 422 23.717 19.750 5.546 1.00 1.14 C ATOM 1017 O CYS A 422 24.603 20.560 5.290 1.00 72.32 O ATOM 1018 CB CYS A 422 24.528 17.803 6.956 1.00 22.52 C ATOM 1019 SG CYS A 422 23.762 18.612 8.415 1.00 55.41 S ATOM 0 H CYS A 422 24.387 17.331 3.723 1.00 34.21 H new ATOM 0 HA CYS A 422 23.042 17.748 5.425 1.00 63.31 H new ATOM 0 HB2 CYS A 422 24.384 16.726 7.044 1.00 22.52 H new ATOM 0 HB3 CYS A 422 25.602 17.984 6.986 1.00 22.52 H new ATOM 0 HG CYS A 422 24.296 18.141 9.503 1.00 55.41 H new ATOM 1024 N GLY A 423 22.484 20.100 5.765 1.00 63.11 N ATOM 1025 CA GLY A 423 22.090 21.469 5.779 1.00 61.41 C ATOM 1026 C GLY A 423 20.904 21.644 6.663 1.00 31.34 C ATOM 1027 O GLY A 423 20.433 20.676 7.259 1.00 54.34 O ATOM 0 H GLY A 423 21.726 19.440 5.939 1.00 63.11 H new ATOM 0 HA2 GLY A 423 22.913 22.090 6.132 1.00 61.41 H new ATOM 0 HA3 GLY A 423 21.853 21.799 4.768 1.00 61.41 H new ATOM 1031 N VAL A 424 20.415 22.841 6.757 1.00 1.15 N ATOM 1032 CA VAL A 424 19.259 23.131 7.580 1.00 34.31 C ATOM 1033 C VAL A 424 17.992 22.942 6.760 1.00 41.23 C ATOM 1034 O VAL A 424 16.941 22.560 7.283 1.00 2.13 O ATOM 1035 CB VAL A 424 19.320 24.578 8.127 1.00 2.02 C ATOM 1036 CG1 VAL A 424 18.141 24.876 9.037 1.00 3.40 C ATOM 1037 CG2 VAL A 424 20.624 24.804 8.859 1.00 50.34 C ATOM 0 H VAL A 424 20.798 23.651 6.270 1.00 1.15 H new ATOM 0 HA VAL A 424 19.254 22.445 8.427 1.00 34.31 H new ATOM 0 HB VAL A 424 19.266 25.262 7.280 1.00 2.02 H new ATOM 0 HG11 VAL A 424 18.214 25.900 9.404 1.00 3.40 H new ATOM 0 HG12 VAL A 424 17.212 24.756 8.480 1.00 3.40 H new ATOM 0 HG13 VAL A 424 18.150 24.187 9.881 1.00 3.40 H new ATOM 0 HG21 VAL A 424 20.656 25.825 9.239 1.00 50.34 H new ATOM 0 HG22 VAL A 424 20.700 24.104 9.691 1.00 50.34 H new ATOM 0 HG23 VAL A 424 21.458 24.646 8.175 1.00 50.34 H new ATOM 1047 N GLU A 425 18.120 23.158 5.474 1.00 63.44 N ATOM 1048 CA GLU A 425 17.018 23.055 4.562 1.00 24.40 C ATOM 1049 C GLU A 425 17.381 22.070 3.471 1.00 22.54 C ATOM 1050 O GLU A 425 18.562 21.756 3.291 1.00 71.13 O ATOM 1051 CB GLU A 425 16.694 24.432 3.951 1.00 63.13 C ATOM 1052 CG GLU A 425 17.810 25.020 3.082 1.00 43.11 C ATOM 1053 CD GLU A 425 17.485 26.397 2.543 1.00 45.21 C ATOM 1054 OE1 GLU A 425 16.600 26.520 1.660 1.00 74.55 O ATOM 1055 OE2 GLU A 425 18.131 27.387 2.978 1.00 53.03 O ATOM 0 H GLU A 425 19.003 23.413 5.031 1.00 63.44 H new ATOM 0 HA GLU A 425 16.134 22.706 5.095 1.00 24.40 H new ATOM 0 HB2 GLU A 425 15.790 24.344 3.349 1.00 63.13 H new ATOM 0 HB3 GLU A 425 16.473 25.131 4.758 1.00 63.13 H new ATOM 0 HG2 GLU A 425 18.728 25.074 3.668 1.00 43.11 H new ATOM 0 HG3 GLU A 425 18.004 24.347 2.247 1.00 43.11 H new ATOM 1062 N ASN A 426 16.390 21.560 2.784 1.00 3.13 N ATOM 1063 CA ASN A 426 16.621 20.668 1.656 1.00 34.23 C ATOM 1064 C ASN A 426 16.899 21.472 0.426 1.00 3.12 C ATOM 1065 O ASN A 426 16.004 22.147 -0.097 1.00 61.23 O ATOM 1066 CB ASN A 426 15.420 19.745 1.368 1.00 11.01 C ATOM 1067 CG ASN A 426 15.196 18.655 2.385 1.00 11.01 C ATOM 1068 OD1 ASN A 426 15.723 17.557 2.259 1.00 72.24 O ATOM 1069 ND2 ASN A 426 14.415 18.926 3.378 1.00 53.13 N ATOM 0 H ASN A 426 15.406 21.744 2.981 1.00 3.13 H new ATOM 0 HA ASN A 426 17.473 20.043 1.922 1.00 34.23 H new ATOM 0 HB2 ASN A 426 14.519 20.355 1.307 1.00 11.01 H new ATOM 0 HB3 ASN A 426 15.561 19.285 0.390 1.00 11.01 H new ATOM 0 HD21 ASN A 426 14.223 18.216 4.084 1.00 53.13 H new ATOM 0 HD22 ASN A 426 13.991 19.850 3.456 1.00 53.13 H new ATOM 1076 N GLU A 427 18.115 21.432 -0.037 1.00 3.54 N ATOM 1077 CA GLU A 427 18.457 22.116 -1.242 1.00 21.31 C ATOM 1078 C GLU A 427 19.488 21.346 -2.017 1.00 2.50 C ATOM 1079 O GLU A 427 20.453 20.800 -1.446 1.00 25.31 O ATOM 1080 CB GLU A 427 18.925 23.563 -0.995 1.00 73.14 C ATOM 1081 CG GLU A 427 19.278 24.294 -2.288 1.00 44.20 C ATOM 1082 CD GLU A 427 19.642 25.730 -2.102 1.00 53.42 C ATOM 1083 OE1 GLU A 427 18.732 26.584 -2.108 1.00 73.14 O ATOM 1084 OE2 GLU A 427 20.846 26.034 -1.976 1.00 5.02 O ATOM 0 H GLU A 427 18.885 20.931 0.406 1.00 3.54 H new ATOM 0 HA GLU A 427 17.545 22.180 -1.836 1.00 21.31 H new ATOM 0 HB2 GLU A 427 18.140 24.111 -0.475 1.00 73.14 H new ATOM 0 HB3 GLU A 427 19.795 23.553 -0.339 1.00 73.14 H new ATOM 0 HG2 GLU A 427 20.111 23.779 -2.767 1.00 44.20 H new ATOM 0 HG3 GLU A 427 18.430 24.232 -2.970 1.00 44.20 H new ATOM 1091 N ILE A 428 19.261 21.261 -3.293 1.00 11.04 N ATOM 1092 CA ILE A 428 20.189 20.662 -4.192 1.00 52.14 C ATOM 1093 C ILE A 428 21.186 21.748 -4.571 1.00 72.04 C ATOM 1094 O ILE A 428 20.793 22.835 -5.004 1.00 54.40 O ATOM 1095 CB ILE A 428 19.463 20.152 -5.453 1.00 30.41 C ATOM 1096 CG1 ILE A 428 18.276 19.257 -5.044 1.00 31.04 C ATOM 1097 CG2 ILE A 428 20.432 19.393 -6.365 1.00 22.55 C ATOM 1098 CD1 ILE A 428 17.435 18.761 -6.201 1.00 52.03 C ATOM 0 H ILE A 428 18.414 21.611 -3.741 1.00 11.04 H new ATOM 0 HA ILE A 428 20.685 19.809 -3.729 1.00 52.14 H new ATOM 0 HB ILE A 428 19.081 21.006 -6.012 1.00 30.41 H new ATOM 0 HG12 ILE A 428 18.659 18.397 -4.495 1.00 31.04 H new ATOM 0 HG13 ILE A 428 17.637 19.814 -4.359 1.00 31.04 H new ATOM 0 HG21 ILE A 428 19.900 19.041 -7.249 1.00 22.55 H new ATOM 0 HG22 ILE A 428 21.241 20.057 -6.669 1.00 22.55 H new ATOM 0 HG23 ILE A 428 20.845 18.540 -5.827 1.00 22.55 H new ATOM 0 HD11 ILE A 428 16.624 18.140 -5.821 1.00 52.03 H new ATOM 0 HD12 ILE A 428 17.019 19.612 -6.739 1.00 52.03 H new ATOM 0 HD13 ILE A 428 18.056 18.173 -6.877 1.00 52.03 H new ATOM 1110 N VAL A 429 22.442 21.477 -4.385 1.00 11.20 N ATOM 1111 CA VAL A 429 23.462 22.466 -4.629 1.00 34.52 C ATOM 1112 C VAL A 429 23.828 22.497 -6.103 1.00 22.24 C ATOM 1113 O VAL A 429 23.606 23.494 -6.794 1.00 33.11 O ATOM 1114 CB VAL A 429 24.731 22.195 -3.776 1.00 63.52 C ATOM 1115 CG1 VAL A 429 25.787 23.263 -4.011 1.00 31.31 C ATOM 1116 CG2 VAL A 429 24.379 22.106 -2.296 1.00 55.14 C ATOM 0 H VAL A 429 22.792 20.575 -4.063 1.00 11.20 H new ATOM 0 HA VAL A 429 23.057 23.436 -4.338 1.00 34.52 H new ATOM 0 HB VAL A 429 25.145 21.236 -4.089 1.00 63.52 H new ATOM 0 HG11 VAL A 429 26.664 23.048 -3.401 1.00 31.31 H new ATOM 0 HG12 VAL A 429 26.070 23.270 -5.064 1.00 31.31 H new ATOM 0 HG13 VAL A 429 25.385 24.239 -3.737 1.00 31.31 H new ATOM 0 HG21 VAL A 429 25.283 21.916 -1.718 1.00 55.14 H new ATOM 0 HG22 VAL A 429 23.932 23.045 -1.971 1.00 55.14 H new ATOM 0 HG23 VAL A 429 23.670 21.293 -2.139 1.00 55.14 H new ATOM 1126 N SER A 430 24.366 21.409 -6.581 1.00 41.53 N ATOM 1127 CA SER A 430 24.806 21.309 -7.944 1.00 10.35 C ATOM 1128 C SER A 430 24.741 19.854 -8.387 1.00 2.40 C ATOM 1129 O SER A 430 24.640 18.948 -7.544 1.00 34.22 O ATOM 1130 CB SER A 430 26.250 21.838 -8.066 1.00 33.51 C ATOM 1131 OG SER A 430 26.353 23.189 -7.625 1.00 2.14 O ATOM 0 H SER A 430 24.512 20.562 -6.032 1.00 41.53 H new ATOM 0 HA SER A 430 24.158 21.909 -8.583 1.00 10.35 H new ATOM 0 HB2 SER A 430 26.919 21.210 -7.477 1.00 33.51 H new ATOM 0 HB3 SER A 430 26.578 21.767 -9.103 1.00 33.51 H new ATOM 0 HG SER A 430 27.281 23.492 -7.714 1.00 2.14 H new ATOM 1137 N VAL A 431 24.773 19.631 -9.686 1.00 71.30 N ATOM 1138 CA VAL A 431 24.758 18.294 -10.257 1.00 41.31 C ATOM 1139 C VAL A 431 25.757 18.253 -11.407 1.00 23.04 C ATOM 1140 O VAL A 431 25.745 19.132 -12.272 1.00 51.43 O ATOM 1141 CB VAL A 431 23.359 17.890 -10.813 1.00 5.43 C ATOM 1142 CG1 VAL A 431 23.389 16.460 -11.324 1.00 1.10 C ATOM 1143 CG2 VAL A 431 22.258 18.056 -9.775 1.00 3.12 C ATOM 0 H VAL A 431 24.810 20.376 -10.382 1.00 71.30 H new ATOM 0 HA VAL A 431 25.014 17.593 -9.462 1.00 41.31 H new ATOM 0 HB VAL A 431 23.131 18.564 -11.639 1.00 5.43 H new ATOM 0 HG11 VAL A 431 22.406 16.191 -11.709 1.00 1.10 H new ATOM 0 HG12 VAL A 431 24.127 16.374 -12.121 1.00 1.10 H new ATOM 0 HG13 VAL A 431 23.656 15.788 -10.508 1.00 1.10 H new ATOM 0 HG21 VAL A 431 21.302 17.762 -10.209 1.00 3.12 H new ATOM 0 HG22 VAL A 431 22.474 17.426 -8.912 1.00 3.12 H new ATOM 0 HG23 VAL A 431 22.209 19.098 -9.460 1.00 3.12 H new ATOM 1153 N LEU A 432 26.620 17.266 -11.415 1.00 5.52 N ATOM 1154 CA LEU A 432 27.621 17.156 -12.455 1.00 65.42 C ATOM 1155 C LEU A 432 27.738 15.722 -12.955 1.00 54.52 C ATOM 1156 O LEU A 432 28.033 14.816 -12.181 1.00 14.40 O ATOM 1157 CB LEU A 432 28.979 17.633 -11.914 1.00 44.12 C ATOM 1158 CG LEU A 432 30.159 17.610 -12.889 1.00 32.22 C ATOM 1159 CD1 LEU A 432 29.914 18.548 -14.060 1.00 25.34 C ATOM 1160 CD2 LEU A 432 31.449 17.973 -12.169 1.00 24.21 C ATOM 0 H LEU A 432 26.651 16.526 -10.714 1.00 5.52 H new ATOM 0 HA LEU A 432 27.318 17.783 -13.293 1.00 65.42 H new ATOM 0 HB2 LEU A 432 28.860 18.653 -11.550 1.00 44.12 H new ATOM 0 HB3 LEU A 432 29.237 17.016 -11.054 1.00 44.12 H new ATOM 0 HG LEU A 432 30.257 16.599 -13.284 1.00 32.22 H new ATOM 0 HD11 LEU A 432 30.767 18.514 -14.738 1.00 25.34 H new ATOM 0 HD12 LEU A 432 29.014 18.239 -14.592 1.00 25.34 H new ATOM 0 HD13 LEU A 432 29.785 19.565 -13.690 1.00 25.34 H new ATOM 0 HD21 LEU A 432 32.278 17.952 -12.876 1.00 24.21 H new ATOM 0 HD22 LEU A 432 31.360 18.973 -11.744 1.00 24.21 H new ATOM 0 HD23 LEU A 432 31.635 17.255 -11.371 1.00 24.21 H new ATOM 1172 N GLU A 433 27.492 15.506 -14.226 1.00 40.11 N ATOM 1173 CA GLU A 433 27.699 14.192 -14.799 1.00 53.44 C ATOM 1174 C GLU A 433 29.160 14.059 -15.188 1.00 50.34 C ATOM 1175 O GLU A 433 29.564 14.423 -16.298 1.00 14.31 O ATOM 1176 CB GLU A 433 26.775 13.929 -16.001 1.00 0.41 C ATOM 1177 CG GLU A 433 27.019 12.590 -16.702 1.00 24.44 C ATOM 1178 CD GLU A 433 26.145 12.407 -17.912 1.00 60.43 C ATOM 1179 OE1 GLU A 433 26.328 13.147 -18.903 1.00 24.44 O ATOM 1180 OE2 GLU A 433 25.255 11.547 -17.894 1.00 21.22 O ATOM 0 H GLU A 433 27.152 16.212 -14.879 1.00 40.11 H new ATOM 0 HA GLU A 433 27.444 13.439 -14.054 1.00 53.44 H new ATOM 0 HB2 GLU A 433 25.739 13.965 -15.663 1.00 0.41 H new ATOM 0 HB3 GLU A 433 26.902 14.734 -16.725 1.00 0.41 H new ATOM 0 HG2 GLU A 433 28.065 12.525 -17.000 1.00 24.44 H new ATOM 0 HG3 GLU A 433 26.837 11.777 -15.999 1.00 24.44 H new ATOM 1187 N ALA A 434 29.959 13.635 -14.238 1.00 45.32 N ATOM 1188 CA ALA A 434 31.382 13.472 -14.452 1.00 50.24 C ATOM 1189 C ALA A 434 31.726 12.010 -14.615 1.00 22.42 C ATOM 1190 O ALA A 434 32.743 11.663 -15.203 1.00 44.11 O ATOM 1191 CB ALA A 434 32.164 14.075 -13.297 1.00 44.02 C ATOM 0 H ALA A 434 29.645 13.393 -13.298 1.00 45.32 H new ATOM 0 HA ALA A 434 31.657 13.996 -15.367 1.00 50.24 H new ATOM 0 HB1 ALA A 434 33.232 13.944 -13.473 1.00 44.02 H new ATOM 0 HB2 ALA A 434 31.937 15.138 -13.219 1.00 44.02 H new ATOM 0 HB3 ALA A 434 31.885 13.576 -12.369 1.00 44.02 H new ATOM 1197 N GLN A 435 30.879 11.154 -14.101 1.00 14.40 N ATOM 1198 CA GLN A 435 31.096 9.737 -14.203 1.00 72.15 C ATOM 1199 C GLN A 435 30.217 9.177 -15.302 1.00 62.15 C ATOM 1200 O GLN A 435 29.321 9.872 -15.774 1.00 34.14 O ATOM 1201 CB GLN A 435 30.809 9.040 -12.867 1.00 13.34 C ATOM 1202 CG GLN A 435 31.702 9.507 -11.720 1.00 62.12 C ATOM 1203 CD GLN A 435 31.422 8.787 -10.401 1.00 71.24 C ATOM 1204 OE1 GLN A 435 31.600 9.350 -9.319 1.00 71.30 O ATOM 1205 NE2 GLN A 435 31.005 7.554 -10.475 1.00 33.03 N ATOM 0 H GLN A 435 30.028 11.418 -13.605 1.00 14.40 H new ATOM 0 HA GLN A 435 32.142 9.553 -14.449 1.00 72.15 H new ATOM 0 HB2 GLN A 435 29.767 9.211 -12.596 1.00 13.34 H new ATOM 0 HB3 GLN A 435 30.933 7.965 -12.996 1.00 13.34 H new ATOM 0 HG2 GLN A 435 32.745 9.352 -11.995 1.00 62.12 H new ATOM 0 HG3 GLN A 435 31.566 10.579 -11.576 1.00 62.12 H new ATOM 0 HE21 GLN A 435 30.867 7.116 -11.386 1.00 33.03 H new ATOM 0 HE22 GLN A 435 30.816 7.027 -9.622 1.00 33.03 H new ATOM 1214 N LYS A 436 30.493 7.938 -15.696 1.00 74.12 N ATOM 1215 CA LYS A 436 29.768 7.190 -16.756 1.00 64.33 C ATOM 1216 C LYS A 436 28.236 7.315 -16.734 1.00 42.01 C ATOM 1217 O LYS A 436 27.542 6.486 -16.151 1.00 61.14 O ATOM 1218 CB LYS A 436 30.237 5.708 -16.794 1.00 33.01 C ATOM 1219 CG LYS A 436 30.652 5.099 -15.414 1.00 2.41 C ATOM 1220 CD LYS A 436 29.547 5.043 -14.330 1.00 74.25 C ATOM 1221 CE LYS A 436 28.458 4.024 -14.637 1.00 20.10 C ATOM 1222 NZ LYS A 436 27.464 3.951 -13.536 1.00 5.45 N ATOM 0 H LYS A 436 31.251 7.395 -15.281 1.00 74.12 H new ATOM 0 HA LYS A 436 30.043 7.680 -17.690 1.00 64.33 H new ATOM 0 HB2 LYS A 436 29.434 5.101 -17.213 1.00 33.01 H new ATOM 0 HB3 LYS A 436 31.084 5.630 -17.476 1.00 33.01 H new ATOM 0 HG2 LYS A 436 31.018 4.086 -15.583 1.00 2.41 H new ATOM 0 HG3 LYS A 436 31.488 5.678 -15.021 1.00 2.41 H new ATOM 0 HD2 LYS A 436 30.001 4.801 -13.369 1.00 74.25 H new ATOM 0 HD3 LYS A 436 29.095 6.030 -14.230 1.00 74.25 H new ATOM 0 HE2 LYS A 436 27.956 4.293 -15.566 1.00 20.10 H new ATOM 0 HE3 LYS A 436 28.907 3.043 -14.790 1.00 20.10 H new ATOM 0 HZ1 LYS A 436 27.595 3.065 -13.008 1.00 5.45 H new ATOM 0 HZ2 LYS A 436 27.596 4.759 -12.895 1.00 5.45 H new ATOM 0 HZ3 LYS A 436 26.503 3.978 -13.933 1.00 5.45 H new ATOM 1236 N CYS A 437 27.726 8.402 -17.356 1.00 34.34 N ATOM 1237 CA CYS A 437 26.285 8.710 -17.413 1.00 43.41 C ATOM 1238 C CYS A 437 25.708 8.742 -16.001 1.00 24.22 C ATOM 1239 O CYS A 437 24.504 8.550 -15.790 1.00 62.13 O ATOM 1240 CB CYS A 437 25.564 7.679 -18.290 1.00 62.33 C ATOM 1241 SG CYS A 437 26.240 7.562 -19.996 1.00 30.45 S ATOM 0 H CYS A 437 28.307 9.091 -17.833 1.00 34.34 H new ATOM 0 HA CYS A 437 26.138 9.693 -17.861 1.00 43.41 H new ATOM 0 HB2 CYS A 437 25.630 6.700 -17.814 1.00 62.33 H new ATOM 0 HB3 CYS A 437 24.506 7.937 -18.344 1.00 62.33 H new ATOM 1246 N GLU A 438 26.571 9.037 -15.046 1.00 33.13 N ATOM 1247 CA GLU A 438 26.203 9.040 -13.685 1.00 12.22 C ATOM 1248 C GLU A 438 26.364 10.436 -13.146 1.00 42.44 C ATOM 1249 O GLU A 438 27.449 11.042 -13.232 1.00 3.22 O ATOM 1250 CB GLU A 438 27.019 7.989 -12.918 1.00 23.01 C ATOM 1251 CG GLU A 438 26.599 7.779 -11.475 1.00 53.51 C ATOM 1252 CD GLU A 438 27.190 6.514 -10.905 1.00 74.15 C ATOM 1253 OE1 GLU A 438 26.613 5.432 -11.138 1.00 15.13 O ATOM 1254 OE2 GLU A 438 28.230 6.562 -10.253 1.00 12.40 O ATOM 0 H GLU A 438 27.547 9.279 -15.217 1.00 33.13 H new ATOM 0 HA GLU A 438 25.157 8.760 -13.560 1.00 12.22 H new ATOM 0 HB2 GLU A 438 26.944 7.038 -13.445 1.00 23.01 H new ATOM 0 HB3 GLU A 438 28.069 8.282 -12.936 1.00 23.01 H new ATOM 0 HG2 GLU A 438 26.916 8.632 -10.875 1.00 53.51 H new ATOM 0 HG3 GLU A 438 25.512 7.733 -11.415 1.00 53.51 H new ATOM 1261 N TYR A 439 25.299 10.941 -12.616 1.00 22.02 N ATOM 1262 CA TYR A 439 25.226 12.301 -12.177 1.00 73.02 C ATOM 1263 C TYR A 439 25.554 12.438 -10.724 1.00 74.31 C ATOM 1264 O TYR A 439 24.927 11.816 -9.869 1.00 43.23 O ATOM 1265 CB TYR A 439 23.827 12.866 -12.449 1.00 42.11 C ATOM 1266 CG TYR A 439 23.503 13.078 -13.908 1.00 43.14 C ATOM 1267 CD1 TYR A 439 23.306 12.011 -14.772 1.00 23.05 C ATOM 1268 CD2 TYR A 439 23.380 14.359 -14.418 1.00 32.23 C ATOM 1269 CE1 TYR A 439 22.995 12.220 -16.094 1.00 74.23 C ATOM 1270 CE2 TYR A 439 23.073 14.575 -15.739 1.00 13.34 C ATOM 1271 CZ TYR A 439 22.879 13.511 -16.573 1.00 34.44 C ATOM 1272 OH TYR A 439 22.556 13.735 -17.897 1.00 14.41 O ATOM 0 H TYR A 439 24.438 10.413 -12.472 1.00 22.02 H new ATOM 0 HA TYR A 439 25.968 12.867 -12.740 1.00 73.02 H new ATOM 0 HB2 TYR A 439 23.088 12.189 -12.022 1.00 42.11 H new ATOM 0 HB3 TYR A 439 23.727 13.818 -11.927 1.00 42.11 H new ATOM 0 HD1 TYR A 439 23.398 11.001 -14.400 1.00 23.05 H new ATOM 0 HD2 TYR A 439 23.528 15.206 -13.764 1.00 32.23 H new ATOM 0 HE1 TYR A 439 22.842 11.380 -16.755 1.00 74.23 H new ATOM 0 HE2 TYR A 439 22.985 15.583 -16.117 1.00 13.34 H new ATOM 0 HH TYR A 439 22.514 14.700 -18.065 1.00 14.41 H new ATOM 1282 N LEU A 440 26.550 13.248 -10.452 1.00 63.02 N ATOM 1283 CA LEU A 440 26.959 13.547 -9.102 1.00 63.22 C ATOM 1284 C LEU A 440 26.027 14.623 -8.587 1.00 13.11 C ATOM 1285 O LEU A 440 26.094 15.767 -9.041 1.00 72.03 O ATOM 1286 CB LEU A 440 28.395 14.116 -9.081 1.00 52.13 C ATOM 1287 CG LEU A 440 29.493 13.303 -9.776 1.00 64.43 C ATOM 1288 CD1 LEU A 440 30.824 14.031 -9.689 1.00 3.44 C ATOM 1289 CD2 LEU A 440 29.613 11.921 -9.180 1.00 4.04 C ATOM 0 H LEU A 440 27.103 13.721 -11.167 1.00 63.02 H new ATOM 0 HA LEU A 440 26.928 12.641 -8.497 1.00 63.22 H new ATOM 0 HB2 LEU A 440 28.370 15.106 -9.537 1.00 52.13 H new ATOM 0 HB3 LEU A 440 28.687 14.252 -8.040 1.00 52.13 H new ATOM 0 HG LEU A 440 29.216 13.194 -10.825 1.00 64.43 H new ATOM 0 HD11 LEU A 440 31.594 13.442 -10.187 1.00 3.44 H new ATOM 0 HD12 LEU A 440 30.740 15.003 -10.175 1.00 3.44 H new ATOM 0 HD13 LEU A 440 31.094 14.171 -8.642 1.00 3.44 H new ATOM 0 HD21 LEU A 440 30.400 11.370 -9.695 1.00 4.04 H new ATOM 0 HD22 LEU A 440 29.859 12.001 -8.121 1.00 4.04 H new ATOM 0 HD23 LEU A 440 28.666 11.392 -9.293 1.00 4.04 H new ATOM 1301 N ILE A 441 25.153 14.266 -7.708 1.00 11.23 N ATOM 1302 CA ILE A 441 24.204 15.194 -7.156 1.00 42.51 C ATOM 1303 C ILE A 441 24.693 15.637 -5.797 1.00 1.40 C ATOM 1304 O ILE A 441 24.948 14.812 -4.926 1.00 12.40 O ATOM 1305 CB ILE A 441 22.818 14.531 -7.008 1.00 22.22 C ATOM 1306 CG1 ILE A 441 22.353 13.995 -8.361 1.00 1.31 C ATOM 1307 CG2 ILE A 441 21.800 15.530 -6.447 1.00 64.34 C ATOM 1308 CD1 ILE A 441 21.061 13.233 -8.301 1.00 5.42 C ATOM 0 H ILE A 441 25.070 13.317 -7.345 1.00 11.23 H new ATOM 0 HA ILE A 441 24.110 16.049 -7.825 1.00 42.51 H new ATOM 0 HB ILE A 441 22.898 13.700 -6.308 1.00 22.22 H new ATOM 0 HG12 ILE A 441 22.239 14.830 -9.052 1.00 1.31 H new ATOM 0 HG13 ILE A 441 23.128 13.346 -8.770 1.00 1.31 H new ATOM 0 HG21 ILE A 441 20.829 15.044 -6.350 1.00 64.34 H new ATOM 0 HG22 ILE A 441 22.132 15.877 -5.468 1.00 64.34 H new ATOM 0 HG23 ILE A 441 21.714 16.380 -7.123 1.00 64.34 H new ATOM 0 HD11 ILE A 441 20.797 12.885 -9.300 1.00 5.42 H new ATOM 0 HD12 ILE A 441 21.174 12.377 -7.636 1.00 5.42 H new ATOM 0 HD13 ILE A 441 20.272 13.884 -7.923 1.00 5.42 H new ATOM 1320 N LYS A 442 24.837 16.911 -5.616 1.00 24.42 N ATOM 1321 CA LYS A 442 25.312 17.424 -4.370 1.00 35.54 C ATOM 1322 C LYS A 442 24.117 18.064 -3.653 1.00 23.13 C ATOM 1323 O LYS A 442 23.455 18.938 -4.215 1.00 64.43 O ATOM 1324 CB LYS A 442 26.399 18.484 -4.646 1.00 1.54 C ATOM 1325 CG LYS A 442 27.494 18.580 -3.575 1.00 62.13 C ATOM 1326 CD LYS A 442 26.947 18.840 -2.188 1.00 72.10 C ATOM 1327 CE LYS A 442 28.047 18.830 -1.151 1.00 24.54 C ATOM 1328 NZ LYS A 442 28.995 19.954 -1.308 1.00 72.54 N ATOM 0 H LYS A 442 24.631 17.620 -6.320 1.00 24.42 H new ATOM 0 HA LYS A 442 25.743 16.636 -3.753 1.00 35.54 H new ATOM 0 HB2 LYS A 442 26.867 18.262 -5.605 1.00 1.54 H new ATOM 0 HB3 LYS A 442 25.920 19.458 -4.743 1.00 1.54 H new ATOM 0 HG2 LYS A 442 28.067 17.653 -3.565 1.00 62.13 H new ATOM 0 HG3 LYS A 442 28.186 19.379 -3.842 1.00 62.13 H new ATOM 0 HD2 LYS A 442 26.437 19.803 -2.171 1.00 72.10 H new ATOM 0 HD3 LYS A 442 26.204 18.082 -1.940 1.00 72.10 H new ATOM 0 HE2 LYS A 442 27.603 18.872 -0.157 1.00 24.54 H new ATOM 0 HE3 LYS A 442 28.593 17.889 -1.217 1.00 24.54 H new ATOM 0 HZ1 LYS A 442 29.946 19.649 -1.019 1.00 72.54 H new ATOM 0 HZ2 LYS A 442 29.015 20.255 -2.303 1.00 72.54 H new ATOM 0 HZ3 LYS A 442 28.691 20.750 -0.712 1.00 72.54 H new ATOM 1342 N MET A 443 23.840 17.645 -2.434 1.00 72.25 N ATOM 1343 CA MET A 443 22.716 18.165 -1.685 1.00 34.42 C ATOM 1344 C MET A 443 23.091 18.408 -0.270 1.00 74.41 C ATOM 1345 O MET A 443 24.163 17.996 0.202 1.00 13.24 O ATOM 1346 CB MET A 443 21.491 17.219 -1.673 1.00 4.33 C ATOM 1347 CG MET A 443 20.760 17.029 -2.982 1.00 30.12 C ATOM 1348 SD MET A 443 19.270 16.009 -2.792 1.00 3.03 S ATOM 1349 CE MET A 443 18.295 16.979 -1.609 1.00 60.15 C ATOM 0 H MET A 443 24.384 16.939 -1.938 1.00 72.25 H new ATOM 0 HA MET A 443 22.443 19.090 -2.194 1.00 34.42 H new ATOM 0 HB2 MET A 443 21.822 16.241 -1.324 1.00 4.33 H new ATOM 0 HB3 MET A 443 20.779 17.596 -0.939 1.00 4.33 H new ATOM 0 HG2 MET A 443 20.483 18.003 -3.386 1.00 30.12 H new ATOM 0 HG3 MET A 443 21.428 16.562 -3.705 1.00 30.12 H new ATOM 0 HE1 MET A 443 17.248 16.681 -1.669 1.00 60.15 H new ATOM 0 HE2 MET A 443 18.666 16.801 -0.600 1.00 60.15 H new ATOM 0 HE3 MET A 443 18.384 18.039 -1.847 1.00 60.15 H new ATOM 1359 N LYS A 444 22.218 19.062 0.399 1.00 52.43 N ATOM 1360 CA LYS A 444 22.314 19.295 1.782 1.00 24.13 C ATOM 1361 C LYS A 444 20.917 19.296 2.324 1.00 50.25 C ATOM 1362 O LYS A 444 20.005 19.827 1.680 1.00 21.10 O ATOM 1363 CB LYS A 444 23.045 20.607 2.046 1.00 64.11 C ATOM 1364 CG LYS A 444 22.437 21.827 1.407 1.00 1.25 C ATOM 1365 CD LYS A 444 23.411 22.955 1.492 1.00 64.44 C ATOM 1366 CE LYS A 444 22.810 24.257 0.979 1.00 61.34 C ATOM 1367 NZ LYS A 444 23.793 25.367 0.986 1.00 63.44 N ATOM 0 H LYS A 444 21.382 19.465 -0.024 1.00 52.43 H new ATOM 0 HA LYS A 444 22.895 18.520 2.282 1.00 24.13 H new ATOM 0 HB2 LYS A 444 23.091 20.767 3.123 1.00 64.11 H new ATOM 0 HB3 LYS A 444 24.072 20.508 1.695 1.00 64.11 H new ATOM 0 HG2 LYS A 444 22.188 21.622 0.366 1.00 1.25 H new ATOM 0 HG3 LYS A 444 21.508 22.093 1.911 1.00 1.25 H new ATOM 0 HD2 LYS A 444 23.730 23.084 2.526 1.00 64.44 H new ATOM 0 HD3 LYS A 444 24.301 22.712 0.912 1.00 64.44 H new ATOM 0 HE2 LYS A 444 22.438 24.109 -0.035 1.00 61.34 H new ATOM 0 HE3 LYS A 444 21.953 24.528 1.596 1.00 61.34 H new ATOM 0 HZ1 LYS A 444 23.341 26.233 0.629 1.00 63.44 H new ATOM 0 HZ2 LYS A 444 24.129 25.527 1.957 1.00 63.44 H new ATOM 0 HZ3 LYS A 444 24.599 25.121 0.377 1.00 63.44 H new ATOM 1381 N SER A 445 20.727 18.654 3.447 1.00 11.53 N ATOM 1382 CA SER A 445 19.431 18.551 4.042 1.00 23.52 C ATOM 1383 C SER A 445 19.552 18.016 5.454 1.00 42.14 C ATOM 1384 O SER A 445 20.509 17.280 5.763 1.00 33.24 O ATOM 1385 CB SER A 445 18.557 17.614 3.201 1.00 10.42 C ATOM 1386 OG SER A 445 19.153 16.329 3.069 1.00 23.14 O ATOM 0 H SER A 445 21.469 18.190 3.970 1.00 11.53 H new ATOM 0 HA SER A 445 18.971 19.538 4.078 1.00 23.52 H new ATOM 0 HB2 SER A 445 17.575 17.516 3.664 1.00 10.42 H new ATOM 0 HB3 SER A 445 18.401 18.048 2.213 1.00 10.42 H new ATOM 0 HG SER A 445 18.572 15.753 2.529 1.00 23.14 H new ATOM 1392 N PRO A 446 18.629 18.391 6.340 1.00 74.13 N ATOM 1393 CA PRO A 446 18.588 17.878 7.714 1.00 24.44 C ATOM 1394 C PRO A 446 18.205 16.392 7.743 1.00 73.54 C ATOM 1395 O PRO A 446 18.586 15.654 8.647 1.00 33.45 O ATOM 1396 CB PRO A 446 17.483 18.724 8.371 1.00 24.13 C ATOM 1397 CG PRO A 446 16.631 19.172 7.236 1.00 44.12 C ATOM 1398 CD PRO A 446 17.570 19.403 6.103 1.00 71.33 C ATOM 0 HA PRO A 446 19.552 17.949 8.217 1.00 24.44 H new ATOM 0 HB2 PRO A 446 16.910 18.139 9.090 1.00 24.13 H new ATOM 0 HB3 PRO A 446 17.902 19.573 8.912 1.00 24.13 H new ATOM 0 HG2 PRO A 446 15.887 18.417 6.982 1.00 44.12 H new ATOM 0 HG3 PRO A 446 16.088 20.083 7.488 1.00 44.12 H new ATOM 0 HD2 PRO A 446 17.083 19.260 5.139 1.00 71.33 H new ATOM 0 HD3 PRO A 446 17.971 20.417 6.110 1.00 71.33 H new