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 401 LYS NZ :NH3+ 151:sc= 0.726 (180deg=0.291) USER MOD Set 1.2: A 415 SER OG : rot -163:sc= -3.55! USER MOD Set 2.1: A 374 TYR OH : rot 168:sc= -0.311 USER MOD Set 2.2: A 384 GLN : amide:sc= -0.631 K(o=-0.94,f=-0.38) USER MOD Set 3.1: A 381 ASN : amide:sc= 0.868 K(o=-0.29,f=-3.4) USER MOD Set 3.2: A 391 ASN : amide:sc= -1.16! K(o=-0.29!,f=-3.4) USER MOD Set 4.1: A 365 THR OG1 : rot 34:sc= 0.254 USER MOD Set 4.2: A 443 MET CE :methyl 158:sc= -0.319 (180deg=-1.27) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 SER OG : rot -25:sc= 0.536 USER MOD Single : A 394 SER OG : rot 180:sc= -0.0993 USER MOD Single : A 395 GLN : amide:sc= 1.1 K(o=1.1,f=-0.69) USER MOD Single : A 398 ASN : amide:sc= -0.136 K(o=-0.14,f=-0.7) USER MOD Single : A 402 TYR OH : rot 70:sc= -1.86! USER MOD Single : A 404 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 406 GLN : amide:sc= -2.81! C(o=-2.8!,f=-5.3!) USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 422 CYS SG : rot 180:sc=-0.000441 USER MOD Single : A 426 ASN : amide:sc= -0.514 K(o=-0.51,f=-1.6) USER MOD Single : A 430 SER OG : rot -18:sc= 0.829 USER MOD Single : A 435 GLN : amide:sc= 0.507 K(o=0.51,f=0) USER MOD Single : A 436 LYS NZ :NH3+ 163:sc= -0.0586 (180deg=-0.41) USER MOD Single : A 439 TYR OH : rot -90:sc= 1.25 USER MOD Single : A 442 LYS NZ :NH3+ 161:sc= 1.11 (180deg=0.599) 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 12.854 17.835 -3.828 1.00 44.32 N ATOM 139 CA THR A 365 13.653 18.996 -3.987 1.00 15.23 C ATOM 140 C THR A 365 13.942 19.133 -5.460 1.00 41.35 C ATOM 141 O THR A 365 14.321 18.156 -6.108 1.00 2.32 O ATOM 142 CB THR A 365 14.971 18.845 -3.210 1.00 13.31 C ATOM 143 OG1 THR A 365 14.678 18.417 -1.871 1.00 22.30 O ATOM 144 CG2 THR A 365 15.688 20.179 -3.136 1.00 53.10 C ATOM 0 HA THR A 365 13.136 19.876 -3.604 1.00 15.23 H new ATOM 0 HB THR A 365 15.601 18.117 -3.720 1.00 13.31 H new ATOM 0 HG1 THR A 365 13.892 17.832 -1.879 1.00 22.30 H new ATOM 0 HG21 THR A 365 16.620 20.061 -2.584 1.00 53.10 H new ATOM 0 HG22 THR A 365 15.906 20.531 -4.144 1.00 53.10 H new ATOM 0 HG23 THR A 365 15.054 20.905 -2.627 1.00 53.10 H new ATOM 152 N LYS A 366 13.753 20.296 -5.994 1.00 63.43 N ATOM 153 CA LYS A 366 13.923 20.481 -7.379 1.00 13.14 C ATOM 154 C LYS A 366 14.773 21.665 -7.644 1.00 44.53 C ATOM 155 O LYS A 366 14.652 22.707 -6.980 1.00 20.32 O ATOM 156 CB LYS A 366 12.580 20.540 -8.112 1.00 23.34 C ATOM 157 CG LYS A 366 11.608 21.565 -7.577 1.00 43.20 C ATOM 158 CD LYS A 366 10.313 21.530 -8.356 1.00 44.41 C ATOM 159 CE LYS A 366 9.299 22.505 -7.800 1.00 31.22 C ATOM 160 NZ LYS A 366 8.051 22.482 -8.583 1.00 52.21 N ATOM 0 H LYS A 366 13.479 21.132 -5.478 1.00 63.43 H new ATOM 0 HA LYS A 366 14.445 19.612 -7.780 1.00 13.14 H new ATOM 0 HB2 LYS A 366 12.766 20.752 -9.165 1.00 23.34 H new ATOM 0 HB3 LYS A 366 12.112 19.557 -8.063 1.00 23.34 H new ATOM 0 HG2 LYS A 366 11.410 21.370 -6.523 1.00 43.20 H new ATOM 0 HG3 LYS A 366 12.049 22.560 -7.640 1.00 43.20 H new ATOM 0 HD2 LYS A 366 10.511 21.767 -9.401 1.00 44.41 H new ATOM 0 HD3 LYS A 366 9.900 20.522 -8.331 1.00 44.41 H new ATOM 0 HE2 LYS A 366 9.084 22.256 -6.761 1.00 31.22 H new ATOM 0 HE3 LYS A 366 9.717 23.512 -7.807 1.00 31.22 H new ATOM 0 HZ1 LYS A 366 7.375 23.161 -8.178 1.00 52.21 H new ATOM 0 HZ2 LYS A 366 8.255 22.743 -9.569 1.00 52.21 H new ATOM 0 HZ3 LYS A 366 7.641 21.527 -8.555 1.00 52.21 H new ATOM 174 N ARG A 367 15.652 21.505 -8.564 1.00 30.22 N ATOM 175 CA ARG A 367 16.571 22.522 -8.899 1.00 33.25 C ATOM 176 C ARG A 367 16.846 22.391 -10.379 1.00 33.24 C ATOM 177 O ARG A 367 17.033 21.284 -10.872 1.00 72.41 O ATOM 178 CB ARG A 367 17.856 22.284 -8.114 1.00 12.53 C ATOM 179 CG ARG A 367 18.751 23.481 -7.991 1.00 14.24 C ATOM 180 CD ARG A 367 18.107 24.513 -7.094 1.00 51.04 C ATOM 181 NE ARG A 367 18.944 25.703 -6.957 1.00 70.24 N ATOM 182 CZ ARG A 367 18.513 26.934 -6.676 1.00 63.24 C ATOM 183 NH1 ARG A 367 17.210 27.181 -6.532 1.00 43.21 N ATOM 184 NH2 ARG A 367 19.390 27.918 -6.551 1.00 51.24 N ATOM 0 H ARG A 367 15.752 20.650 -9.112 1.00 30.22 H new ATOM 0 HA ARG A 367 16.186 23.515 -8.665 1.00 33.25 H new ATOM 0 HB2 ARG A 367 17.595 21.939 -7.113 1.00 12.53 H new ATOM 0 HB3 ARG A 367 18.414 21.479 -8.593 1.00 12.53 H new ATOM 0 HG2 ARG A 367 19.717 23.184 -7.583 1.00 14.24 H new ATOM 0 HG3 ARG A 367 18.939 23.909 -8.976 1.00 14.24 H new ATOM 0 HD2 ARG A 367 17.136 24.795 -7.501 1.00 51.04 H new ATOM 0 HD3 ARG A 367 17.926 24.079 -6.110 1.00 51.04 H new ATOM 0 HE ARG A 367 19.948 25.582 -7.088 1.00 70.24 H new ATOM 0 HH11 ARG A 367 16.533 26.425 -6.637 1.00 43.21 H new ATOM 0 HH12 ARG A 367 16.891 28.126 -6.317 1.00 43.21 H new ATOM 0 HH21 ARG A 367 20.386 27.732 -6.669 1.00 51.24 H new ATOM 0 HH22 ARG A 367 19.070 28.862 -6.336 1.00 51.24 H new ATOM 198 N GLU A 368 16.857 23.469 -11.088 1.00 11.13 N ATOM 199 CA GLU A 368 17.098 23.403 -12.492 1.00 42.00 C ATOM 200 C GLU A 368 18.550 23.651 -12.886 1.00 4.13 C ATOM 201 O GLU A 368 19.095 24.754 -12.742 1.00 44.33 O ATOM 202 CB GLU A 368 16.056 24.190 -13.321 1.00 25.54 C ATOM 203 CG GLU A 368 15.506 25.477 -12.679 1.00 34.23 C ATOM 204 CD GLU A 368 16.548 26.488 -12.297 1.00 63.10 C ATOM 205 OE1 GLU A 368 16.952 27.290 -13.159 1.00 43.21 O ATOM 206 OE2 GLU A 368 16.953 26.508 -11.111 1.00 70.52 O ATOM 0 H GLU A 368 16.702 24.407 -10.720 1.00 11.13 H new ATOM 0 HA GLU A 368 16.939 22.361 -12.768 1.00 42.00 H new ATOM 0 HB2 GLU A 368 16.507 24.451 -14.279 1.00 25.54 H new ATOM 0 HB3 GLU A 368 15.217 23.528 -13.533 1.00 25.54 H new ATOM 0 HG2 GLU A 368 14.807 25.942 -13.374 1.00 34.23 H new ATOM 0 HG3 GLU A 368 14.938 25.207 -11.788 1.00 34.23 H new ATOM 213 N ILE A 369 19.180 22.595 -13.348 1.00 1.12 N ATOM 214 CA ILE A 369 20.548 22.647 -13.806 1.00 55.34 C ATOM 215 C ILE A 369 20.565 22.366 -15.304 1.00 10.12 C ATOM 216 O ILE A 369 19.861 21.483 -15.770 1.00 53.15 O ATOM 217 CB ILE A 369 21.506 21.616 -13.064 1.00 23.55 C ATOM 218 CG1 ILE A 369 21.603 21.857 -11.532 1.00 31.00 C ATOM 219 CG2 ILE A 369 22.904 21.598 -13.675 1.00 65.13 C ATOM 220 CD1 ILE A 369 20.375 21.462 -10.737 1.00 24.31 C ATOM 0 H ILE A 369 18.754 21.671 -13.417 1.00 1.12 H new ATOM 0 HA ILE A 369 20.931 23.642 -13.578 1.00 55.34 H new ATOM 0 HB ILE A 369 21.042 20.641 -13.211 1.00 23.55 H new ATOM 0 HG12 ILE A 369 22.459 21.303 -11.147 1.00 31.00 H new ATOM 0 HG13 ILE A 369 21.804 22.914 -11.359 1.00 31.00 H new ATOM 0 HG21 ILE A 369 23.526 20.881 -13.139 1.00 65.13 H new ATOM 0 HG22 ILE A 369 22.839 21.309 -14.724 1.00 65.13 H new ATOM 0 HG23 ILE A 369 23.347 22.591 -13.599 1.00 65.13 H new ATOM 0 HD11 ILE A 369 20.543 21.670 -9.680 1.00 24.31 H new ATOM 0 HD12 ILE A 369 19.516 22.034 -11.087 1.00 24.31 H new ATOM 0 HD13 ILE A 369 20.181 20.398 -10.871 1.00 24.31 H new ATOM 232 N GLY A 370 21.332 23.144 -16.046 1.00 32.22 N ATOM 233 CA GLY A 370 21.481 22.949 -17.481 1.00 24.14 C ATOM 234 C GLY A 370 20.197 23.106 -18.281 1.00 13.14 C ATOM 235 O GLY A 370 20.109 22.645 -19.411 1.00 34.53 O ATOM 0 H GLY A 370 21.869 23.928 -15.674 1.00 32.22 H new ATOM 0 HA2 GLY A 370 22.216 23.661 -17.856 1.00 24.14 H new ATOM 0 HA3 GLY A 370 21.884 21.952 -17.658 1.00 24.14 H new ATOM 239 N GLY A 371 19.212 23.753 -17.706 1.00 65.22 N ATOM 240 CA GLY A 371 17.960 23.948 -18.401 1.00 31.14 C ATOM 241 C GLY A 371 16.980 22.816 -18.163 1.00 50.44 C ATOM 242 O GLY A 371 15.918 22.769 -18.774 1.00 1.11 O ATOM 0 H GLY A 371 19.250 24.151 -16.767 1.00 65.22 H new ATOM 0 HA2 GLY A 371 17.511 24.887 -18.077 1.00 31.14 H new ATOM 0 HA3 GLY A 371 18.152 24.039 -19.470 1.00 31.14 H new ATOM 246 N TYR A 372 17.345 21.898 -17.301 1.00 1.41 N ATOM 247 CA TYR A 372 16.480 20.802 -16.930 1.00 52.32 C ATOM 248 C TYR A 372 16.300 20.700 -15.431 1.00 0.42 C ATOM 249 O TYR A 372 17.228 20.928 -14.658 1.00 3.43 O ATOM 250 CB TYR A 372 16.850 19.460 -17.618 1.00 54.11 C ATOM 251 CG TYR A 372 18.325 19.250 -17.878 1.00 71.42 C ATOM 252 CD1 TYR A 372 19.165 18.740 -16.918 1.00 63.01 C ATOM 253 CD2 TYR A 372 18.869 19.578 -19.113 1.00 75.12 C ATOM 254 CE1 TYR A 372 20.512 18.562 -17.173 1.00 51.04 C ATOM 255 CE2 TYR A 372 20.207 19.403 -19.375 1.00 52.40 C ATOM 256 CZ TYR A 372 21.024 18.897 -18.402 1.00 63.15 C ATOM 257 OH TYR A 372 22.364 18.723 -18.656 1.00 70.03 O ATOM 0 H TYR A 372 18.252 21.889 -16.835 1.00 1.41 H new ATOM 0 HA TYR A 372 15.494 21.040 -17.329 1.00 52.32 H new ATOM 0 HB2 TYR A 372 16.487 18.641 -16.997 1.00 54.11 H new ATOM 0 HB3 TYR A 372 16.319 19.399 -18.568 1.00 54.11 H new ATOM 0 HD1 TYR A 372 18.767 18.474 -15.950 1.00 63.01 H new ATOM 0 HD2 TYR A 372 18.227 19.979 -19.884 1.00 75.12 H new ATOM 0 HE1 TYR A 372 21.160 18.161 -16.408 1.00 51.04 H new ATOM 0 HE2 TYR A 372 20.610 19.663 -20.342 1.00 52.40 H new ATOM 0 HH TYR A 372 22.563 19.008 -19.572 1.00 70.03 H new ATOM 267 N THR A 373 15.106 20.374 -15.029 1.00 63.42 N ATOM 268 CA THR A 373 14.734 20.380 -13.637 1.00 23.54 C ATOM 269 C THR A 373 15.062 19.064 -12.969 1.00 53.32 C ATOM 270 O THR A 373 14.466 18.037 -13.279 1.00 52.13 O ATOM 271 CB THR A 373 13.223 20.680 -13.473 1.00 2.32 C ATOM 272 OG1 THR A 373 12.909 21.946 -14.094 1.00 71.21 O ATOM 273 CG2 THR A 373 12.829 20.726 -11.996 1.00 34.13 C ATOM 0 H THR A 373 14.355 20.094 -15.660 1.00 63.42 H new ATOM 0 HA THR A 373 15.312 21.167 -13.153 1.00 23.54 H new ATOM 0 HB THR A 373 12.661 19.880 -13.956 1.00 2.32 H new ATOM 0 HG1 THR A 373 11.953 22.133 -13.991 1.00 71.21 H new ATOM 0 HG21 THR A 373 11.763 20.938 -11.910 1.00 34.13 H new ATOM 0 HG22 THR A 373 13.046 19.764 -11.531 1.00 34.13 H new ATOM 0 HG23 THR A 373 13.397 21.508 -11.492 1.00 34.13 H new ATOM 281 N TYR A 374 15.991 19.099 -12.071 1.00 3.01 N ATOM 282 CA TYR A 374 16.349 17.946 -11.318 1.00 54.52 C ATOM 283 C TYR A 374 15.452 17.838 -10.123 1.00 62.35 C ATOM 284 O TYR A 374 15.333 18.783 -9.355 1.00 33.24 O ATOM 285 CB TYR A 374 17.807 18.014 -10.871 1.00 21.41 C ATOM 286 CG TYR A 374 18.821 17.731 -11.949 1.00 15.11 C ATOM 287 CD1 TYR A 374 19.258 18.713 -12.817 1.00 70.11 C ATOM 288 CD2 TYR A 374 19.362 16.463 -12.073 1.00 33.40 C ATOM 289 CE1 TYR A 374 20.208 18.434 -13.776 1.00 34.20 C ATOM 290 CE2 TYR A 374 20.305 16.180 -13.031 1.00 74.11 C ATOM 291 CZ TYR A 374 20.725 17.163 -13.875 1.00 63.10 C ATOM 292 OH TYR A 374 21.682 16.882 -14.818 1.00 55.21 O ATOM 0 H TYR A 374 16.526 19.936 -11.839 1.00 3.01 H new ATOM 0 HA TYR A 374 16.231 17.065 -11.949 1.00 54.52 H new ATOM 0 HB2 TYR A 374 18.000 19.007 -10.464 1.00 21.41 H new ATOM 0 HB3 TYR A 374 17.955 17.302 -10.059 1.00 21.41 H new ATOM 0 HD1 TYR A 374 18.851 19.711 -12.743 1.00 70.11 H new ATOM 0 HD2 TYR A 374 19.036 15.681 -11.403 1.00 33.40 H new ATOM 0 HE1 TYR A 374 20.545 19.210 -14.447 1.00 34.20 H new ATOM 0 HE2 TYR A 374 20.711 15.183 -13.115 1.00 74.11 H new ATOM 0 HH TYR A 374 22.076 16.004 -14.633 1.00 55.21 H new ATOM 302 N LYS A 375 14.811 16.708 -9.979 1.00 75.45 N ATOM 303 CA LYS A 375 13.932 16.480 -8.859 1.00 24.23 C ATOM 304 C LYS A 375 14.473 15.327 -8.069 1.00 25.21 C ATOM 305 O LYS A 375 14.641 14.244 -8.613 1.00 72.51 O ATOM 306 CB LYS A 375 12.528 16.091 -9.355 1.00 12.34 C ATOM 307 CG LYS A 375 11.499 15.904 -8.231 1.00 75.12 C ATOM 308 CD LYS A 375 10.180 15.296 -8.726 1.00 74.03 C ATOM 309 CE LYS A 375 9.589 16.079 -9.880 1.00 73.05 C ATOM 310 NZ LYS A 375 8.250 15.586 -10.277 1.00 44.24 N ATOM 0 H LYS A 375 14.881 15.924 -10.628 1.00 75.45 H new ATOM 0 HA LYS A 375 13.871 17.387 -8.258 1.00 24.23 H new ATOM 0 HB2 LYS A 375 12.169 16.861 -10.038 1.00 12.34 H new ATOM 0 HB3 LYS A 375 12.599 15.166 -9.926 1.00 12.34 H new ATOM 0 HG2 LYS A 375 11.923 15.261 -7.460 1.00 75.12 H new ATOM 0 HG3 LYS A 375 11.297 16.869 -7.766 1.00 75.12 H new ATOM 0 HD2 LYS A 375 10.351 14.266 -9.038 1.00 74.03 H new ATOM 0 HD3 LYS A 375 9.464 15.266 -7.904 1.00 74.03 H new ATOM 0 HE2 LYS A 375 9.517 17.130 -9.602 1.00 73.05 H new ATOM 0 HE3 LYS A 375 10.262 16.021 -10.736 1.00 73.05 H new ATOM 0 HZ1 LYS A 375 7.891 16.156 -11.070 1.00 44.24 H new ATOM 0 HZ2 LYS A 375 8.319 14.590 -10.570 1.00 44.24 H new ATOM 0 HZ3 LYS A 375 7.598 15.665 -9.471 1.00 44.24 H new ATOM 324 N VAL A 376 14.713 15.535 -6.813 1.00 25.42 N ATOM 325 CA VAL A 376 15.200 14.488 -5.963 1.00 4.20 C ATOM 326 C VAL A 376 14.121 14.109 -4.986 1.00 5.25 C ATOM 327 O VAL A 376 13.779 14.885 -4.092 1.00 13.32 O ATOM 328 CB VAL A 376 16.486 14.895 -5.188 1.00 20.34 C ATOM 329 CG1 VAL A 376 16.984 13.740 -4.320 1.00 12.11 C ATOM 330 CG2 VAL A 376 17.580 15.344 -6.148 1.00 11.23 C ATOM 0 H VAL A 376 14.578 16.432 -6.346 1.00 25.42 H new ATOM 0 HA VAL A 376 15.463 13.642 -6.598 1.00 4.20 H new ATOM 0 HB VAL A 376 16.234 15.733 -4.538 1.00 20.34 H new ATOM 0 HG11 VAL A 376 17.884 14.047 -3.787 1.00 12.11 H new ATOM 0 HG12 VAL A 376 16.212 13.466 -3.601 1.00 12.11 H new ATOM 0 HG13 VAL A 376 17.212 12.882 -4.952 1.00 12.11 H new ATOM 0 HG21 VAL A 376 18.469 15.623 -5.582 1.00 11.23 H new ATOM 0 HG22 VAL A 376 17.825 14.528 -6.828 1.00 11.23 H new ATOM 0 HG23 VAL A 376 17.231 16.202 -6.722 1.00 11.23 H new ATOM 340 N VAL A 377 13.553 12.937 -5.176 1.00 53.31 N ATOM 341 CA VAL A 377 12.517 12.468 -4.287 1.00 24.13 C ATOM 342 C VAL A 377 13.160 11.661 -3.137 1.00 71.43 C ATOM 343 O VAL A 377 12.508 11.296 -2.128 1.00 52.42 O ATOM 344 CB VAL A 377 11.472 11.628 -5.043 1.00 54.52 C ATOM 345 CG1 VAL A 377 10.298 11.294 -4.144 1.00 55.42 C ATOM 346 CG2 VAL A 377 10.991 12.355 -6.292 1.00 52.02 C ATOM 0 H VAL A 377 13.791 12.297 -5.934 1.00 53.31 H new ATOM 0 HA VAL A 377 11.992 13.326 -3.868 1.00 24.13 H new ATOM 0 HB VAL A 377 11.949 10.697 -5.349 1.00 54.52 H new ATOM 0 HG11 VAL A 377 9.572 10.700 -4.699 1.00 55.42 H new ATOM 0 HG12 VAL A 377 10.649 10.726 -3.283 1.00 55.42 H new ATOM 0 HG13 VAL A 377 9.827 12.216 -3.803 1.00 55.42 H new ATOM 0 HG21 VAL A 377 10.253 11.741 -6.809 1.00 52.02 H new ATOM 0 HG22 VAL A 377 10.538 13.305 -6.008 1.00 52.02 H new ATOM 0 HG23 VAL A 377 11.837 12.540 -6.954 1.00 52.02 H new ATOM 356 N PHE A 378 14.448 11.386 -3.326 1.00 35.12 N ATOM 357 CA PHE A 378 15.341 10.753 -2.349 1.00 30.33 C ATOM 358 C PHE A 378 15.074 9.235 -2.221 1.00 25.10 C ATOM 359 O PHE A 378 15.920 8.426 -2.537 1.00 34.22 O ATOM 360 CB PHE A 378 15.260 11.485 -0.979 1.00 55.44 C ATOM 361 CG PHE A 378 16.514 11.440 -0.153 1.00 33.22 C ATOM 362 CD1 PHE A 378 17.653 12.096 -0.590 1.00 62.43 C ATOM 363 CD2 PHE A 378 16.552 10.789 1.061 1.00 14.35 C ATOM 364 CE1 PHE A 378 18.802 12.098 0.165 1.00 62.54 C ATOM 365 CE2 PHE A 378 17.704 10.780 1.827 1.00 34.03 C ATOM 366 CZ PHE A 378 18.831 11.440 1.377 1.00 35.02 C ATOM 0 H PHE A 378 14.922 11.607 -4.202 1.00 35.12 H new ATOM 0 HA PHE A 378 16.363 10.850 -2.714 1.00 30.33 H new ATOM 0 HB2 PHE A 378 14.999 12.528 -1.158 1.00 55.44 H new ATOM 0 HB3 PHE A 378 14.447 11.048 -0.400 1.00 55.44 H new ATOM 0 HD1 PHE A 378 17.638 12.614 -1.538 1.00 62.43 H new ATOM 0 HD2 PHE A 378 15.670 10.279 1.419 1.00 14.35 H new ATOM 0 HE1 PHE A 378 19.681 12.614 -0.191 1.00 62.54 H new ATOM 0 HE2 PHE A 378 17.722 10.259 2.773 1.00 34.03 H new ATOM 0 HZ PHE A 378 19.732 11.441 1.972 1.00 35.02 H new ATOM 376 N TYR A 379 13.887 8.863 -1.807 1.00 72.13 N ATOM 377 CA TYR A 379 13.569 7.442 -1.604 1.00 41.32 C ATOM 378 C TYR A 379 12.891 6.826 -2.809 1.00 11.22 C ATOM 379 O TYR A 379 12.599 5.627 -2.831 1.00 5.51 O ATOM 380 CB TYR A 379 12.729 7.249 -0.355 1.00 44.12 C ATOM 381 CG TYR A 379 13.454 7.670 0.891 1.00 71.23 C ATOM 382 CD1 TYR A 379 14.288 6.788 1.562 1.00 54.21 C ATOM 383 CD2 TYR A 379 13.324 8.955 1.384 1.00 52.01 C ATOM 384 CE1 TYR A 379 14.973 7.178 2.691 1.00 44.32 C ATOM 385 CE2 TYR A 379 13.999 9.353 2.509 1.00 60.13 C ATOM 386 CZ TYR A 379 14.828 8.461 3.161 1.00 41.23 C ATOM 387 OH TYR A 379 15.513 8.859 4.288 1.00 72.23 O ATOM 0 H TYR A 379 13.122 9.506 -1.602 1.00 72.13 H new ATOM 0 HA TYR A 379 14.517 6.920 -1.470 1.00 41.32 H new ATOM 0 HB2 TYR A 379 11.807 7.823 -0.448 1.00 44.12 H new ATOM 0 HB3 TYR A 379 12.444 6.200 -0.270 1.00 44.12 H new ATOM 0 HD1 TYR A 379 14.402 5.779 1.193 1.00 54.21 H new ATOM 0 HD2 TYR A 379 12.680 9.657 0.875 1.00 52.01 H new ATOM 0 HE1 TYR A 379 15.619 6.481 3.203 1.00 44.32 H new ATOM 0 HE2 TYR A 379 13.883 10.359 2.884 1.00 60.13 H new ATOM 0 HH TYR A 379 15.301 9.795 4.486 1.00 72.23 H new ATOM 397 N GLU A 380 12.646 7.640 -3.796 1.00 54.12 N ATOM 398 CA GLU A 380 12.035 7.198 -5.027 1.00 53.34 C ATOM 399 C GLU A 380 13.044 7.188 -6.160 1.00 64.33 C ATOM 400 O GLU A 380 13.468 6.119 -6.620 1.00 21.53 O ATOM 401 CB GLU A 380 10.848 8.083 -5.389 1.00 74.42 C ATOM 402 CG GLU A 380 9.606 7.886 -4.557 1.00 71.33 C ATOM 403 CD GLU A 380 8.895 6.604 -4.878 1.00 61.32 C ATOM 404 OE1 GLU A 380 8.196 6.558 -5.917 1.00 73.20 O ATOM 405 OE2 GLU A 380 9.006 5.638 -4.125 1.00 53.24 O ATOM 0 H GLU A 380 12.864 8.636 -3.774 1.00 54.12 H new ATOM 0 HA GLU A 380 11.677 6.180 -4.875 1.00 53.34 H new ATOM 0 HB2 GLU A 380 11.157 9.125 -5.306 1.00 74.42 H new ATOM 0 HB3 GLU A 380 10.594 7.908 -6.434 1.00 74.42 H new ATOM 0 HG2 GLU A 380 9.875 7.893 -3.501 1.00 71.33 H new ATOM 0 HG3 GLU A 380 8.928 8.724 -4.719 1.00 71.33 H new ATOM 412 N ASN A 381 13.437 8.377 -6.599 1.00 51.44 N ATOM 413 CA ASN A 381 14.345 8.556 -7.729 1.00 44.01 C ATOM 414 C ASN A 381 14.638 10.026 -7.974 1.00 1.10 C ATOM 415 O ASN A 381 14.198 10.895 -7.195 1.00 75.14 O ATOM 416 CB ASN A 381 13.797 7.887 -9.010 1.00 65.11 C ATOM 417 CG ASN A 381 12.346 8.168 -9.287 1.00 52.15 C ATOM 418 OD1 ASN A 381 11.811 9.202 -8.920 1.00 22.40 O ATOM 419 ND2 ASN A 381 11.698 7.225 -9.917 1.00 14.15 N ATOM 0 H ASN A 381 13.132 9.254 -6.177 1.00 51.44 H new ATOM 0 HA ASN A 381 15.282 8.063 -7.470 1.00 44.01 H new ATOM 0 HB2 ASN A 381 14.388 8.223 -9.862 1.00 65.11 H new ATOM 0 HB3 ASN A 381 13.937 6.809 -8.930 1.00 65.11 H new ATOM 0 HD21 ASN A 381 10.705 7.337 -10.120 1.00 14.15 H new ATOM 0 HD22 ASN A 381 12.185 6.377 -10.206 1.00 14.15 H new ATOM 426 N VAL A 382 15.418 10.299 -9.026 1.00 71.20 N ATOM 427 CA VAL A 382 15.770 11.654 -9.418 1.00 21.03 C ATOM 428 C VAL A 382 15.528 11.828 -10.914 1.00 50.13 C ATOM 429 O VAL A 382 15.955 10.986 -11.723 1.00 24.52 O ATOM 430 CB VAL A 382 17.259 11.991 -9.112 1.00 34.44 C ATOM 431 CG1 VAL A 382 17.579 13.432 -9.500 1.00 41.11 C ATOM 432 CG2 VAL A 382 17.574 11.771 -7.651 1.00 13.31 C ATOM 0 H VAL A 382 15.820 9.579 -9.626 1.00 71.20 H new ATOM 0 HA VAL A 382 15.144 12.332 -8.838 1.00 21.03 H new ATOM 0 HB VAL A 382 17.879 11.320 -9.707 1.00 34.44 H new ATOM 0 HG11 VAL A 382 18.625 13.645 -9.277 1.00 41.11 H new ATOM 0 HG12 VAL A 382 17.400 13.570 -10.566 1.00 41.11 H new ATOM 0 HG13 VAL A 382 16.942 14.111 -8.934 1.00 41.11 H new ATOM 0 HG21 VAL A 382 18.620 12.014 -7.464 1.00 13.31 H new ATOM 0 HG22 VAL A 382 16.938 12.413 -7.041 1.00 13.31 H new ATOM 0 HG23 VAL A 382 17.392 10.728 -7.393 1.00 13.31 H new ATOM 442 N PHE A 383 14.858 12.896 -11.273 1.00 34.04 N ATOM 443 CA PHE A 383 14.541 13.175 -12.665 1.00 53.30 C ATOM 444 C PHE A 383 15.216 14.455 -13.108 1.00 61.55 C ATOM 445 O PHE A 383 15.671 15.237 -12.288 1.00 2.12 O ATOM 446 CB PHE A 383 13.029 13.400 -12.853 1.00 54.22 C ATOM 447 CG PHE A 383 12.132 12.308 -12.368 1.00 72.21 C ATOM 448 CD1 PHE A 383 11.853 11.213 -13.162 1.00 41.33 C ATOM 449 CD2 PHE A 383 11.554 12.388 -11.116 1.00 74.22 C ATOM 450 CE1 PHE A 383 11.014 10.215 -12.712 1.00 52.13 C ATOM 451 CE2 PHE A 383 10.716 11.404 -10.662 1.00 52.51 C ATOM 452 CZ PHE A 383 10.444 10.311 -11.461 1.00 62.40 C ATOM 0 H PHE A 383 14.515 13.598 -10.617 1.00 34.04 H new ATOM 0 HA PHE A 383 14.881 12.318 -13.246 1.00 53.30 H new ATOM 0 HB2 PHE A 383 12.754 14.322 -12.340 1.00 54.22 H new ATOM 0 HB3 PHE A 383 12.836 13.556 -13.914 1.00 54.22 H new ATOM 0 HD1 PHE A 383 12.296 11.137 -14.144 1.00 41.33 H new ATOM 0 HD2 PHE A 383 11.766 13.239 -10.486 1.00 74.22 H new ATOM 0 HE1 PHE A 383 10.804 9.361 -13.338 1.00 52.13 H new ATOM 0 HE2 PHE A 383 10.269 11.483 -9.682 1.00 52.51 H new ATOM 0 HZ PHE A 383 9.785 9.532 -11.106 1.00 62.40 H new ATOM 462 N GLN A 384 15.274 14.638 -14.401 1.00 51.53 N ATOM 463 CA GLN A 384 15.655 15.877 -15.032 1.00 3.45 C ATOM 464 C GLN A 384 14.616 16.228 -16.070 1.00 63.41 C ATOM 465 O GLN A 384 14.576 15.645 -17.157 1.00 24.43 O ATOM 466 CB GLN A 384 17.065 15.862 -15.636 1.00 21.34 C ATOM 467 CG GLN A 384 17.395 14.634 -16.471 1.00 40.42 C ATOM 468 CD GLN A 384 18.747 14.703 -17.167 1.00 20.30 C ATOM 469 OE1 GLN A 384 18.933 14.126 -18.229 1.00 71.51 O ATOM 470 NE2 GLN A 384 19.683 15.414 -16.598 1.00 40.32 N ATOM 0 H GLN A 384 15.049 13.901 -15.070 1.00 51.53 H new ATOM 0 HA GLN A 384 15.695 16.643 -14.258 1.00 3.45 H new ATOM 0 HB2 GLN A 384 17.187 16.749 -16.258 1.00 21.34 H new ATOM 0 HB3 GLN A 384 17.791 15.938 -14.827 1.00 21.34 H new ATOM 0 HG2 GLN A 384 17.373 13.754 -15.828 1.00 40.42 H new ATOM 0 HG3 GLN A 384 16.617 14.499 -17.223 1.00 40.42 H new ATOM 0 HE21 GLN A 384 19.499 15.884 -15.712 1.00 40.32 H new ATOM 0 HE22 GLN A 384 20.598 15.499 -17.040 1.00 40.32 H new ATOM 479 N ASP A 385 13.738 17.134 -15.686 1.00 32.10 N ATOM 480 CA ASP A 385 12.616 17.616 -16.502 1.00 0.11 C ATOM 481 C ASP A 385 11.563 16.533 -16.664 1.00 4.33 C ATOM 482 O ASP A 385 10.524 16.565 -16.008 1.00 62.20 O ATOM 483 CB ASP A 385 13.073 18.141 -17.865 1.00 24.23 C ATOM 484 CG ASP A 385 11.934 18.716 -18.667 1.00 45.22 C ATOM 485 OD1 ASP A 385 11.462 19.822 -18.326 1.00 72.45 O ATOM 486 OD2 ASP A 385 11.502 18.075 -19.652 1.00 54.14 O ATOM 0 H ASP A 385 13.778 17.576 -14.768 1.00 32.10 H new ATOM 0 HA ASP A 385 12.171 18.457 -15.970 1.00 0.11 H new ATOM 0 HB2 ASP A 385 13.835 18.906 -17.720 1.00 24.23 H new ATOM 0 HB3 ASP A 385 13.538 17.331 -18.427 1.00 24.23 H new ATOM 491 N SER A 386 11.850 15.583 -17.507 1.00 52.35 N ATOM 492 CA SER A 386 10.986 14.455 -17.734 1.00 2.23 C ATOM 493 C SER A 386 11.833 13.210 -18.015 1.00 11.42 C ATOM 494 O SER A 386 11.310 12.139 -18.333 1.00 25.21 O ATOM 495 CB SER A 386 10.020 14.751 -18.902 1.00 30.14 C ATOM 496 OG SER A 386 9.123 13.666 -19.146 1.00 24.20 O ATOM 0 H SER A 386 12.703 15.568 -18.066 1.00 52.35 H new ATOM 0 HA SER A 386 10.385 14.270 -16.844 1.00 2.23 H new ATOM 0 HB2 SER A 386 9.447 15.651 -18.679 1.00 30.14 H new ATOM 0 HB3 SER A 386 10.595 14.955 -19.805 1.00 30.14 H new ATOM 0 HG SER A 386 9.528 12.830 -18.832 1.00 24.20 H new ATOM 502 N ILE A 387 13.139 13.356 -17.900 1.00 60.52 N ATOM 503 CA ILE A 387 14.046 12.252 -18.119 1.00 70.13 C ATOM 504 C ILE A 387 14.523 11.712 -16.780 1.00 23.24 C ATOM 505 O ILE A 387 14.969 12.465 -15.924 1.00 12.52 O ATOM 506 CB ILE A 387 15.248 12.669 -19.011 1.00 4.30 C ATOM 507 CG1 ILE A 387 14.734 13.124 -20.382 1.00 55.11 C ATOM 508 CG2 ILE A 387 16.257 11.522 -19.163 1.00 74.35 C ATOM 509 CD1 ILE A 387 15.812 13.599 -21.325 1.00 21.31 C ATOM 0 H ILE A 387 13.595 14.235 -17.655 1.00 60.52 H new ATOM 0 HA ILE A 387 13.512 11.465 -18.651 1.00 70.13 H new ATOM 0 HB ILE A 387 15.768 13.497 -18.528 1.00 4.30 H new ATOM 0 HG12 ILE A 387 14.198 12.297 -20.849 1.00 55.11 H new ATOM 0 HG13 ILE A 387 14.014 13.929 -20.238 1.00 55.11 H new ATOM 0 HG21 ILE A 387 17.085 11.847 -19.793 1.00 74.35 H new ATOM 0 HG22 ILE A 387 16.637 11.239 -18.181 1.00 74.35 H new ATOM 0 HG23 ILE A 387 15.766 10.664 -19.623 1.00 74.35 H new ATOM 0 HD11 ILE A 387 15.361 13.902 -22.270 1.00 21.31 H new ATOM 0 HD12 ILE A 387 16.334 14.448 -20.883 1.00 21.31 H new ATOM 0 HD13 ILE A 387 16.521 12.791 -21.504 1.00 21.31 H new ATOM 521 N LEU A 388 14.408 10.433 -16.604 1.00 74.12 N ATOM 522 CA LEU A 388 14.777 9.792 -15.367 1.00 54.14 C ATOM 523 C LEU A 388 16.253 9.417 -15.349 1.00 71.15 C ATOM 524 O LEU A 388 16.737 8.697 -16.240 1.00 73.31 O ATOM 525 CB LEU A 388 13.899 8.562 -15.150 1.00 73.51 C ATOM 526 CG LEU A 388 14.173 7.718 -13.909 1.00 31.22 C ATOM 527 CD1 LEU A 388 14.060 8.542 -12.649 1.00 70.11 C ATOM 528 CD2 LEU A 388 13.208 6.569 -13.854 1.00 32.13 C ATOM 0 H LEU A 388 14.054 9.794 -17.316 1.00 74.12 H new ATOM 0 HA LEU A 388 14.617 10.496 -14.550 1.00 54.14 H new ATOM 0 HB2 LEU A 388 12.861 8.891 -15.112 1.00 73.51 H new ATOM 0 HB3 LEU A 388 13.997 7.919 -16.024 1.00 73.51 H new ATOM 0 HG LEU A 388 15.193 7.339 -13.975 1.00 31.22 H new ATOM 0 HD11 LEU A 388 14.261 7.912 -11.783 1.00 70.11 H new ATOM 0 HD12 LEU A 388 14.784 9.356 -12.681 1.00 70.11 H new ATOM 0 HD13 LEU A 388 13.054 8.954 -12.573 1.00 70.11 H new ATOM 0 HD21 LEU A 388 13.407 5.969 -12.966 1.00 32.13 H new ATOM 0 HD22 LEU A 388 12.188 6.952 -13.812 1.00 32.13 H new ATOM 0 HD23 LEU A 388 13.327 5.951 -14.744 1.00 32.13 H new ATOM 540 N LEU A 389 16.964 9.916 -14.339 1.00 35.52 N ATOM 541 CA LEU A 389 18.369 9.603 -14.160 1.00 42.20 C ATOM 542 C LEU A 389 18.526 8.158 -13.745 1.00 15.21 C ATOM 543 O LEU A 389 19.055 7.356 -14.482 1.00 40.54 O ATOM 544 CB LEU A 389 19.001 10.503 -13.096 1.00 2.53 C ATOM 545 CG LEU A 389 18.932 12.002 -13.346 1.00 54.30 C ATOM 546 CD1 LEU A 389 19.641 12.744 -12.239 1.00 74.35 C ATOM 547 CD2 LEU A 389 19.538 12.353 -14.685 1.00 11.34 C ATOM 0 H LEU A 389 16.581 10.542 -13.631 1.00 35.52 H new ATOM 0 HA LEU A 389 18.876 9.774 -15.110 1.00 42.20 H new ATOM 0 HB2 LEU A 389 18.518 10.294 -12.142 1.00 2.53 H new ATOM 0 HB3 LEU A 389 20.049 10.223 -12.991 1.00 2.53 H new ATOM 0 HG LEU A 389 17.884 12.301 -13.359 1.00 54.30 H new ATOM 0 HD11 LEU A 389 19.586 13.816 -12.427 1.00 74.35 H new ATOM 0 HD12 LEU A 389 19.164 12.518 -11.286 1.00 74.35 H new ATOM 0 HD13 LEU A 389 20.686 12.435 -12.204 1.00 74.35 H new ATOM 0 HD21 LEU A 389 19.477 13.430 -14.841 1.00 11.34 H new ATOM 0 HD22 LEU A 389 20.583 12.042 -14.704 1.00 11.34 H new ATOM 0 HD23 LEU A 389 18.992 11.840 -15.477 1.00 11.34 H new ATOM 559 N GLY A 390 18.021 7.839 -12.578 1.00 61.22 N ATOM 560 CA GLY A 390 18.122 6.505 -12.049 1.00 74.12 C ATOM 561 C GLY A 390 17.073 6.289 -11.003 1.00 70.51 C ATOM 562 O GLY A 390 16.316 7.212 -10.700 1.00 64.52 O ATOM 0 H GLY A 390 17.530 8.496 -11.972 1.00 61.22 H new ATOM 0 HA2 GLY A 390 18.003 5.777 -12.851 1.00 74.12 H new ATOM 0 HA3 GLY A 390 19.112 6.349 -11.621 1.00 74.12 H new ATOM 566 N ASN A 391 17.045 5.118 -10.405 1.00 54.34 N ATOM 567 CA ASN A 391 16.008 4.795 -9.403 1.00 52.41 C ATOM 568 C ASN A 391 16.594 4.365 -8.151 1.00 11.25 C ATOM 569 O ASN A 391 17.643 3.738 -8.145 1.00 51.44 O ATOM 570 CB ASN A 391 15.005 3.739 -9.851 1.00 50.51 C ATOM 571 CG ASN A 391 14.043 4.238 -10.860 1.00 11.35 C ATOM 572 OD1 ASN A 391 12.994 4.780 -10.519 1.00 43.23 O ATOM 573 ND2 ASN A 391 14.342 4.049 -12.081 1.00 52.24 N ATOM 0 H ASN A 391 17.714 4.369 -10.581 1.00 54.34 H new ATOM 0 HA ASN A 391 15.464 5.731 -9.273 1.00 52.41 H new ATOM 0 HB2 ASN A 391 15.545 2.887 -10.264 1.00 50.51 H new ATOM 0 HB3 ASN A 391 14.455 3.378 -8.982 1.00 50.51 H new ATOM 0 HD21 ASN A 391 13.702 4.351 -12.815 1.00 52.24 H new ATOM 0 HD22 ASN A 391 15.222 3.596 -12.326 1.00 52.24 H new ATOM 580 N PHE A 392 15.914 4.660 -7.081 1.00 63.13 N ATOM 581 CA PHE A 392 16.446 4.327 -5.758 1.00 22.04 C ATOM 582 C PHE A 392 16.638 2.828 -5.621 1.00 41.02 C ATOM 583 O PHE A 392 15.674 2.049 -5.641 1.00 55.14 O ATOM 584 CB PHE A 392 15.567 4.878 -4.624 1.00 25.55 C ATOM 585 CG PHE A 392 16.059 4.517 -3.243 1.00 3.54 C ATOM 586 CD1 PHE A 392 17.178 5.132 -2.708 1.00 44.10 C ATOM 587 CD2 PHE A 392 15.407 3.550 -2.490 1.00 51.31 C ATOM 588 CE1 PHE A 392 17.636 4.793 -1.449 1.00 32.33 C ATOM 589 CE2 PHE A 392 15.861 3.209 -1.232 1.00 3.30 C ATOM 590 CZ PHE A 392 16.978 3.832 -0.711 1.00 23.53 C ATOM 0 H PHE A 392 15.005 5.122 -7.079 1.00 63.13 H new ATOM 0 HA PHE A 392 17.419 4.810 -5.667 1.00 22.04 H new ATOM 0 HB2 PHE A 392 15.517 5.963 -4.710 1.00 25.55 H new ATOM 0 HB3 PHE A 392 14.552 4.502 -4.748 1.00 25.55 H new ATOM 0 HD1 PHE A 392 17.699 5.885 -3.281 1.00 44.10 H new ATOM 0 HD2 PHE A 392 14.534 3.059 -2.893 1.00 51.31 H new ATOM 0 HE1 PHE A 392 18.510 5.281 -1.043 1.00 32.33 H new ATOM 0 HE2 PHE A 392 15.344 2.456 -0.656 1.00 3.30 H new ATOM 0 HZ PHE A 392 17.336 3.567 0.273 1.00 23.53 H new ATOM 600 N ALA A 393 17.871 2.434 -5.480 1.00 40.20 N ATOM 601 CA ALA A 393 18.192 1.046 -5.378 1.00 71.24 C ATOM 602 C ALA A 393 18.720 0.731 -4.012 1.00 65.03 C ATOM 603 O ALA A 393 18.197 -0.129 -3.323 1.00 53.01 O ATOM 604 CB ALA A 393 19.219 0.670 -6.437 1.00 1.15 C ATOM 0 H ALA A 393 18.673 3.062 -5.433 1.00 40.20 H new ATOM 0 HA ALA A 393 17.285 0.464 -5.542 1.00 71.24 H new ATOM 0 HB1 ALA A 393 19.458 -0.390 -6.352 1.00 1.15 H new ATOM 0 HB2 ALA A 393 18.811 0.872 -7.427 1.00 1.15 H new ATOM 0 HB3 ALA A 393 20.125 1.259 -6.291 1.00 1.15 H new ATOM 610 N SER A 394 19.726 1.455 -3.593 1.00 54.10 N ATOM 611 CA SER A 394 20.362 1.191 -2.330 1.00 70.42 C ATOM 612 C SER A 394 21.019 2.452 -1.806 1.00 21.14 C ATOM 613 O SER A 394 21.163 3.440 -2.542 1.00 10.30 O ATOM 614 CB SER A 394 21.415 0.079 -2.504 1.00 11.14 C ATOM 615 OG SER A 394 20.824 -1.135 -2.981 1.00 51.34 O ATOM 0 H SER A 394 20.124 2.237 -4.113 1.00 54.10 H new ATOM 0 HA SER A 394 19.611 0.863 -1.612 1.00 70.42 H new ATOM 0 HB2 SER A 394 22.183 0.410 -3.203 1.00 11.14 H new ATOM 0 HB3 SER A 394 21.910 -0.106 -1.551 1.00 11.14 H new ATOM 0 HG SER A 394 21.518 -1.819 -3.082 1.00 51.34 H new ATOM 621 N GLN A 395 21.404 2.425 -0.559 1.00 5.42 N ATOM 622 CA GLN A 395 22.068 3.529 0.061 1.00 12.03 C ATOM 623 C GLN A 395 23.428 3.069 0.570 1.00 43.13 C ATOM 624 O GLN A 395 23.543 2.023 1.226 1.00 3.35 O ATOM 625 CB GLN A 395 21.207 4.105 1.194 1.00 2.45 C ATOM 626 CG GLN A 395 21.819 5.302 1.905 1.00 61.12 C ATOM 627 CD GLN A 395 20.902 5.892 2.964 1.00 31.32 C ATOM 628 OE1 GLN A 395 19.679 5.835 2.848 1.00 55.44 O ATOM 629 NE2 GLN A 395 21.478 6.445 3.996 1.00 20.02 N ATOM 0 H GLN A 395 21.262 1.625 0.058 1.00 5.42 H new ATOM 0 HA GLN A 395 22.219 4.326 -0.667 1.00 12.03 H new ATOM 0 HB2 GLN A 395 20.239 4.397 0.786 1.00 2.45 H new ATOM 0 HB3 GLN A 395 21.020 3.320 1.927 1.00 2.45 H new ATOM 0 HG2 GLN A 395 22.757 5.001 2.371 1.00 61.12 H new ATOM 0 HG3 GLN A 395 22.060 6.071 1.171 1.00 61.12 H new ATOM 0 HE21 GLN A 395 22.496 6.474 4.057 1.00 20.02 H new ATOM 0 HE22 GLN A 395 20.911 6.849 4.741 1.00 20.02 H new ATOM 638 N GLU A 396 24.439 3.817 0.245 1.00 23.23 N ATOM 639 CA GLU A 396 25.783 3.514 0.639 1.00 0.14 C ATOM 640 C GLU A 396 26.228 4.585 1.611 1.00 40.45 C ATOM 641 O GLU A 396 26.589 5.702 1.212 1.00 32.13 O ATOM 642 CB GLU A 396 26.689 3.459 -0.602 1.00 52.41 C ATOM 643 CG GLU A 396 28.112 3.004 -0.340 1.00 5.33 C ATOM 644 CD GLU A 396 28.917 2.904 -1.614 1.00 63.33 C ATOM 645 OE1 GLU A 396 28.677 1.965 -2.403 1.00 35.23 O ATOM 646 OE2 GLU A 396 29.785 3.772 -1.862 1.00 71.34 O ATOM 0 H GLU A 396 24.353 4.668 -0.310 1.00 23.23 H new ATOM 0 HA GLU A 396 25.843 2.540 1.124 1.00 0.14 H new ATOM 0 HB2 GLU A 396 26.238 2.787 -1.333 1.00 52.41 H new ATOM 0 HB3 GLU A 396 26.718 4.450 -1.055 1.00 52.41 H new ATOM 0 HG2 GLU A 396 28.597 3.703 0.341 1.00 5.33 H new ATOM 0 HG3 GLU A 396 28.097 2.034 0.157 1.00 5.33 H new ATOM 653 N GLY A 397 26.150 4.268 2.881 1.00 51.12 N ATOM 654 CA GLY A 397 26.436 5.244 3.895 1.00 5.31 C ATOM 655 C GLY A 397 25.309 6.241 3.957 1.00 62.45 C ATOM 656 O GLY A 397 24.158 5.860 4.166 1.00 51.32 O ATOM 0 H GLY A 397 25.892 3.346 3.232 1.00 51.12 H new ATOM 0 HA2 GLY A 397 26.559 4.756 4.862 1.00 5.31 H new ATOM 0 HA3 GLY A 397 27.375 5.752 3.673 1.00 5.31 H new ATOM 660 N ASN A 398 25.615 7.490 3.740 1.00 21.15 N ATOM 661 CA ASN A 398 24.599 8.534 3.705 1.00 41.03 C ATOM 662 C ASN A 398 24.353 8.930 2.241 1.00 2.03 C ATOM 663 O ASN A 398 23.545 9.802 1.929 1.00 33.43 O ATOM 664 CB ASN A 398 25.062 9.756 4.523 1.00 25.42 C ATOM 665 CG ASN A 398 23.994 10.843 4.661 1.00 70.21 C ATOM 666 OD1 ASN A 398 22.795 10.564 4.691 1.00 3.44 O ATOM 667 ND2 ASN A 398 24.421 12.082 4.759 1.00 71.14 N ATOM 0 H ASN A 398 26.566 7.823 3.582 1.00 21.15 H new ATOM 0 HA ASN A 398 23.673 8.165 4.145 1.00 41.03 H new ATOM 0 HB2 ASN A 398 25.361 9.425 5.517 1.00 25.42 H new ATOM 0 HB3 ASN A 398 25.946 10.185 4.051 1.00 25.42 H new ATOM 0 HD21 ASN A 398 23.752 12.845 4.863 1.00 71.14 H new ATOM 0 HD22 ASN A 398 25.421 12.281 4.731 1.00 71.14 H new ATOM 674 N VAL A 399 25.051 8.264 1.354 1.00 21.41 N ATOM 675 CA VAL A 399 24.956 8.538 -0.054 1.00 31.33 C ATOM 676 C VAL A 399 23.964 7.575 -0.703 1.00 70.44 C ATOM 677 O VAL A 399 24.086 6.360 -0.573 1.00 32.34 O ATOM 678 CB VAL A 399 26.338 8.406 -0.742 1.00 1.02 C ATOM 679 CG1 VAL A 399 26.238 8.750 -2.206 1.00 3.44 C ATOM 680 CG2 VAL A 399 27.370 9.292 -0.058 1.00 54.23 C ATOM 0 H VAL A 399 25.702 7.515 1.591 1.00 21.41 H new ATOM 0 HA VAL A 399 24.607 9.563 -0.179 1.00 31.33 H new ATOM 0 HB VAL A 399 26.663 7.369 -0.652 1.00 1.02 H new ATOM 0 HG11 VAL A 399 27.219 8.651 -2.671 1.00 3.44 H new ATOM 0 HG12 VAL A 399 25.536 8.072 -2.692 1.00 3.44 H new ATOM 0 HG13 VAL A 399 25.886 9.776 -2.316 1.00 3.44 H new ATOM 0 HG21 VAL A 399 28.332 9.183 -0.558 1.00 54.23 H new ATOM 0 HG22 VAL A 399 27.049 10.332 -0.112 1.00 54.23 H new ATOM 0 HG23 VAL A 399 27.468 8.996 0.986 1.00 54.23 H new ATOM 690 N LEU A 400 22.994 8.113 -1.380 1.00 15.01 N ATOM 691 CA LEU A 400 21.971 7.309 -2.025 1.00 41.12 C ATOM 692 C LEU A 400 22.274 7.082 -3.486 1.00 3.21 C ATOM 693 O LEU A 400 22.724 7.991 -4.189 1.00 23.01 O ATOM 694 CB LEU A 400 20.573 7.913 -1.849 1.00 0.34 C ATOM 695 CG LEU A 400 19.888 7.750 -0.491 1.00 71.23 C ATOM 696 CD1 LEU A 400 20.607 8.525 0.601 1.00 4.43 C ATOM 697 CD2 LEU A 400 18.439 8.164 -0.574 1.00 24.41 C ATOM 0 H LEU A 400 22.880 9.119 -1.507 1.00 15.01 H new ATOM 0 HA LEU A 400 21.979 6.339 -1.527 1.00 41.12 H new ATOM 0 HB2 LEU A 400 20.640 8.980 -2.064 1.00 0.34 H new ATOM 0 HB3 LEU A 400 19.922 7.476 -2.606 1.00 0.34 H new ATOM 0 HG LEU A 400 19.934 6.694 -0.225 1.00 71.23 H new ATOM 0 HD11 LEU A 400 20.089 8.383 1.549 1.00 4.43 H new ATOM 0 HD12 LEU A 400 21.631 8.163 0.689 1.00 4.43 H new ATOM 0 HD13 LEU A 400 20.617 9.585 0.348 1.00 4.43 H new ATOM 0 HD21 LEU A 400 17.969 8.041 0.402 1.00 24.41 H new ATOM 0 HD22 LEU A 400 18.376 9.209 -0.878 1.00 24.41 H new ATOM 0 HD23 LEU A 400 17.924 7.542 -1.306 1.00 24.41 H new ATOM 709 N LYS A 401 22.026 5.874 -3.934 1.00 43.15 N ATOM 710 CA LYS A 401 22.299 5.477 -5.289 1.00 21.42 C ATOM 711 C LYS A 401 21.017 5.163 -6.076 1.00 32.10 C ATOM 712 O LYS A 401 20.159 4.372 -5.632 1.00 13.14 O ATOM 713 CB LYS A 401 23.317 4.305 -5.305 1.00 12.22 C ATOM 714 CG LYS A 401 23.470 3.587 -6.642 1.00 21.41 C ATOM 715 CD LYS A 401 23.704 4.547 -7.789 1.00 52.41 C ATOM 716 CE LYS A 401 23.711 3.810 -9.099 1.00 23.32 C ATOM 717 NZ LYS A 401 24.993 3.146 -9.363 1.00 60.13 N ATOM 0 H LYS A 401 21.625 5.133 -3.359 1.00 43.15 H new ATOM 0 HA LYS A 401 22.754 6.321 -5.808 1.00 21.42 H new ATOM 0 HB2 LYS A 401 24.292 4.689 -5.005 1.00 12.22 H new ATOM 0 HB3 LYS A 401 23.017 3.576 -4.553 1.00 12.22 H new ATOM 0 HG2 LYS A 401 24.303 2.887 -6.582 1.00 21.41 H new ATOM 0 HG3 LYS A 401 22.574 3.000 -6.841 1.00 21.41 H new ATOM 0 HD2 LYS A 401 22.925 5.309 -7.798 1.00 52.41 H new ATOM 0 HD3 LYS A 401 24.654 5.064 -7.651 1.00 52.41 H new ATOM 0 HE2 LYS A 401 22.914 3.067 -9.098 1.00 23.32 H new ATOM 0 HE3 LYS A 401 23.494 4.509 -9.907 1.00 23.32 H new ATOM 0 HZ1 LYS A 401 24.833 2.303 -9.951 1.00 60.13 H new ATOM 0 HZ2 LYS A 401 25.627 3.802 -9.863 1.00 60.13 H new ATOM 0 HZ3 LYS A 401 25.429 2.862 -8.462 1.00 60.13 H new ATOM 731 N TYR A 402 20.912 5.779 -7.253 1.00 22.30 N ATOM 732 CA TYR A 402 19.800 5.619 -8.123 1.00 75.43 C ATOM 733 C TYR A 402 20.296 4.968 -9.412 1.00 53.04 C ATOM 734 O TYR A 402 21.057 5.569 -10.148 1.00 32.03 O ATOM 735 CB TYR A 402 19.201 6.984 -8.445 1.00 51.31 C ATOM 736 CG TYR A 402 18.842 7.815 -7.236 1.00 41.04 C ATOM 737 CD1 TYR A 402 17.613 7.694 -6.616 1.00 65.13 C ATOM 738 CD2 TYR A 402 19.742 8.734 -6.725 1.00 2.11 C ATOM 739 CE1 TYR A 402 17.291 8.469 -5.519 1.00 42.20 C ATOM 740 CE2 TYR A 402 19.434 9.501 -5.638 1.00 72.22 C ATOM 741 CZ TYR A 402 18.211 9.373 -5.037 1.00 52.23 C ATOM 742 OH TYR A 402 17.906 10.157 -3.954 1.00 3.41 O ATOM 0 H TYR A 402 21.625 6.412 -7.615 1.00 22.30 H new ATOM 0 HA TYR A 402 19.038 4.999 -7.651 1.00 75.43 H new ATOM 0 HB2 TYR A 402 19.911 7.542 -9.056 1.00 51.31 H new ATOM 0 HB3 TYR A 402 18.305 6.840 -9.049 1.00 51.31 H new ATOM 0 HD1 TYR A 402 16.894 6.983 -6.995 1.00 65.13 H new ATOM 0 HD2 TYR A 402 20.708 8.847 -7.196 1.00 2.11 H new ATOM 0 HE1 TYR A 402 16.327 8.367 -5.044 1.00 42.20 H new ATOM 0 HE2 TYR A 402 20.154 10.208 -5.253 1.00 72.22 H new ATOM 0 HH TYR A 402 17.867 9.601 -3.148 1.00 3.41 H new ATOM 752 N GLU A 403 19.850 3.764 -9.673 1.00 2.10 N ATOM 753 CA GLU A 403 20.312 2.982 -10.803 1.00 54.40 C ATOM 754 C GLU A 403 19.075 2.554 -11.609 1.00 21.32 C ATOM 755 O GLU A 403 17.961 2.624 -11.090 1.00 61.25 O ATOM 756 CB GLU A 403 21.050 1.750 -10.237 1.00 54.31 C ATOM 757 CG GLU A 403 22.230 1.236 -11.064 1.00 4.34 C ATOM 758 CD GLU A 403 21.863 0.613 -12.383 1.00 62.11 C ATOM 759 OE1 GLU A 403 21.720 1.338 -13.378 1.00 72.52 O ATOM 760 OE2 GLU A 403 21.709 -0.614 -12.439 1.00 0.32 O ATOM 0 H GLU A 403 19.149 3.291 -9.103 1.00 2.10 H new ATOM 0 HA GLU A 403 20.985 3.542 -11.452 1.00 54.40 H new ATOM 0 HB2 GLU A 403 21.411 1.995 -9.238 1.00 54.31 H new ATOM 0 HB3 GLU A 403 20.330 0.939 -10.125 1.00 54.31 H new ATOM 0 HG2 GLU A 403 22.912 2.066 -11.249 1.00 4.34 H new ATOM 0 HG3 GLU A 403 22.775 0.501 -10.472 1.00 4.34 H new ATOM 767 N ASN A 404 19.270 2.123 -12.837 1.00 14.44 N ATOM 768 CA ASN A 404 18.182 1.693 -13.739 1.00 10.31 C ATOM 769 C ASN A 404 17.274 2.815 -14.145 1.00 11.10 C ATOM 770 O ASN A 404 16.049 2.743 -13.972 1.00 25.13 O ATOM 771 CB ASN A 404 17.376 0.463 -13.254 1.00 35.42 C ATOM 772 CG ASN A 404 18.192 -0.807 -13.230 1.00 34.42 C ATOM 773 OD1 ASN A 404 18.285 -1.515 -14.237 1.00 54.45 O ATOM 774 ND2 ASN A 404 18.744 -1.129 -12.099 1.00 34.33 N ATOM 0 H ASN A 404 20.196 2.054 -13.258 1.00 14.44 H new ATOM 0 HA ASN A 404 18.714 1.359 -14.630 1.00 10.31 H new ATOM 0 HB2 ASN A 404 16.991 0.660 -12.253 1.00 35.42 H new ATOM 0 HB3 ASN A 404 16.513 0.321 -13.905 1.00 35.42 H new ATOM 0 HD21 ASN A 404 19.278 -1.995 -12.020 1.00 34.33 H new ATOM 0 HD22 ASN A 404 18.644 -0.516 -11.290 1.00 34.33 H new ATOM 781 N GLY A 405 17.869 3.881 -14.605 1.00 73.21 N ATOM 782 CA GLY A 405 17.107 4.975 -15.116 1.00 45.21 C ATOM 783 C GLY A 405 16.859 4.809 -16.595 1.00 71.44 C ATOM 784 O GLY A 405 16.660 3.689 -17.085 1.00 71.31 O ATOM 0 H GLY A 405 18.880 4.011 -14.634 1.00 73.21 H new ATOM 0 HA2 GLY A 405 16.156 5.040 -14.588 1.00 45.21 H new ATOM 0 HA3 GLY A 405 17.637 5.910 -14.934 1.00 45.21 H new ATOM 788 N GLN A 406 16.856 5.895 -17.305 1.00 11.54 N ATOM 789 CA GLN A 406 16.725 5.848 -18.737 1.00 42.00 C ATOM 790 C GLN A 406 18.056 5.600 -19.362 1.00 23.12 C ATOM 791 O GLN A 406 19.068 6.005 -18.826 1.00 74.42 O ATOM 792 CB GLN A 406 16.131 7.098 -19.305 1.00 13.14 C ATOM 793 CG GLN A 406 14.731 7.386 -18.858 1.00 40.34 C ATOM 794 CD GLN A 406 14.142 8.519 -19.624 1.00 14.10 C ATOM 795 OE1 GLN A 406 13.326 9.271 -19.109 1.00 14.14 O ATOM 796 NE2 GLN A 406 14.525 8.639 -20.867 1.00 54.21 N ATOM 0 H GLN A 406 16.943 6.834 -16.917 1.00 11.54 H new ATOM 0 HA GLN A 406 16.042 5.030 -18.966 1.00 42.00 H new ATOM 0 HB2 GLN A 406 16.765 7.942 -19.033 1.00 13.14 H new ATOM 0 HB3 GLN A 406 16.143 7.028 -20.393 1.00 13.14 H new ATOM 0 HG2 GLN A 406 14.115 6.496 -18.989 1.00 40.34 H new ATOM 0 HG3 GLN A 406 14.728 7.623 -17.794 1.00 40.34 H new ATOM 0 HE21 GLN A 406 15.208 7.989 -21.255 1.00 54.21 H new ATOM 0 HE22 GLN A 406 14.141 9.383 -21.450 1.00 54.21 H new ATOM 805 N SER A 407 18.071 4.928 -20.461 1.00 53.10 N ATOM 806 CA SER A 407 19.315 4.633 -21.126 1.00 5.03 C ATOM 807 C SER A 407 19.978 5.935 -21.612 1.00 22.34 C ATOM 808 O SER A 407 19.293 6.907 -21.987 1.00 12.42 O ATOM 809 CB SER A 407 19.091 3.640 -22.251 1.00 2.52 C ATOM 810 OG SER A 407 18.533 2.435 -21.740 1.00 73.33 O ATOM 0 H SER A 407 17.239 4.567 -20.928 1.00 53.10 H new ATOM 0 HA SER A 407 20.002 4.165 -20.421 1.00 5.03 H new ATOM 0 HB2 SER A 407 18.424 4.070 -22.998 1.00 2.52 H new ATOM 0 HB3 SER A 407 20.036 3.428 -22.752 1.00 2.52 H new ATOM 0 HG SER A 407 18.391 1.803 -22.475 1.00 73.33 H new ATOM 816 N CYS A 408 21.279 5.973 -21.565 1.00 73.14 N ATOM 817 CA CYS A 408 21.994 7.168 -21.879 1.00 13.42 C ATOM 818 C CYS A 408 22.637 7.070 -23.243 1.00 51.24 C ATOM 819 O CYS A 408 22.790 8.089 -23.934 1.00 60.40 O ATOM 820 CB CYS A 408 23.055 7.400 -20.797 1.00 50.52 C ATOM 821 SG CYS A 408 24.075 8.890 -21.006 1.00 65.22 S ATOM 0 H CYS A 408 21.867 5.180 -21.309 1.00 73.14 H new ATOM 0 HA CYS A 408 21.302 8.010 -21.905 1.00 13.42 H new ATOM 0 HB2 CYS A 408 22.556 7.456 -19.830 1.00 50.52 H new ATOM 0 HB3 CYS A 408 23.713 6.532 -20.767 1.00 50.52 H new ATOM 889 N ARG A 414 21.880 5.109 -17.172 1.00 31.35 N ATOM 890 CA ARG A 414 22.024 6.419 -16.611 1.00 42.42 C ATOM 891 C ARG A 414 21.840 6.242 -15.117 1.00 41.34 C ATOM 892 O ARG A 414 21.103 5.332 -14.687 1.00 3.42 O ATOM 893 CB ARG A 414 20.980 7.367 -17.192 1.00 1.42 C ATOM 894 CG ARG A 414 21.172 8.828 -16.862 1.00 2.44 C ATOM 895 CD ARG A 414 20.094 9.692 -17.518 1.00 41.45 C ATOM 896 NE ARG A 414 20.024 9.488 -18.979 1.00 73.03 N ATOM 897 CZ ARG A 414 20.140 10.456 -19.915 1.00 5.33 C ATOM 898 NH1 ARG A 414 20.425 11.710 -19.567 1.00 24.11 N ATOM 899 NH2 ARG A 414 19.978 10.158 -21.203 1.00 23.43 N ATOM 0 HA ARG A 414 22.995 6.858 -16.839 1.00 42.42 H new ATOM 0 HB2 ARG A 414 20.977 7.255 -18.276 1.00 1.42 H new ATOM 0 HB3 ARG A 414 19.997 7.059 -16.837 1.00 1.42 H new ATOM 0 HG2 ARG A 414 21.144 8.966 -15.781 1.00 2.44 H new ATOM 0 HG3 ARG A 414 22.156 9.153 -17.199 1.00 2.44 H new ATOM 0 HD2 ARG A 414 19.126 9.460 -17.074 1.00 41.45 H new ATOM 0 HD3 ARG A 414 20.297 10.742 -17.309 1.00 41.45 H new ATOM 0 HE ARG A 414 19.875 8.535 -19.310 1.00 73.03 H new ATOM 0 HH11 ARG A 414 20.558 11.949 -18.584 1.00 24.11 H new ATOM 0 HH12 ARG A 414 20.510 12.431 -20.283 1.00 24.11 H new ATOM 0 HH21 ARG A 414 19.767 9.200 -21.482 1.00 23.43 H new ATOM 0 HH22 ARG A 414 20.065 10.888 -21.910 1.00 23.43 H new ATOM 913 N SER A 415 22.490 7.040 -14.341 1.00 42.15 N ATOM 914 CA SER A 415 22.462 6.864 -12.927 1.00 13.04 C ATOM 915 C SER A 415 22.592 8.193 -12.208 1.00 4.11 C ATOM 916 O SER A 415 22.925 9.213 -12.816 1.00 63.44 O ATOM 917 CB SER A 415 23.587 5.887 -12.551 1.00 22.41 C ATOM 918 OG SER A 415 23.767 5.779 -11.172 1.00 34.44 O ATOM 0 H SER A 415 23.052 7.827 -14.664 1.00 42.15 H new ATOM 0 HA SER A 415 21.504 6.448 -12.614 1.00 13.04 H new ATOM 0 HB2 SER A 415 23.361 4.903 -12.962 1.00 22.41 H new ATOM 0 HB3 SER A 415 24.519 6.218 -13.010 1.00 22.41 H new ATOM 0 HG SER A 415 24.641 5.377 -10.987 1.00 34.44 H new ATOM 924 N ALA A 416 22.316 8.178 -10.934 1.00 34.52 N ATOM 925 CA ALA A 416 22.404 9.333 -10.100 1.00 41.31 C ATOM 926 C ALA A 416 22.905 8.913 -8.739 1.00 22.42 C ATOM 927 O ALA A 416 22.472 7.892 -8.196 1.00 0.05 O ATOM 928 CB ALA A 416 21.049 10.022 -9.986 1.00 4.15 C ATOM 0 H ALA A 416 22.016 7.338 -10.439 1.00 34.52 H new ATOM 0 HA ALA A 416 23.100 10.047 -10.541 1.00 41.31 H new ATOM 0 HB1 ALA A 416 21.140 10.900 -9.346 1.00 4.15 H new ATOM 0 HB2 ALA A 416 20.712 10.329 -10.976 1.00 4.15 H new ATOM 0 HB3 ALA A 416 20.325 9.331 -9.554 1.00 4.15 H new ATOM 934 N ILE A 417 23.824 9.653 -8.212 1.00 55.15 N ATOM 935 CA ILE A 417 24.382 9.367 -6.921 1.00 54.30 C ATOM 936 C ILE A 417 24.237 10.630 -6.043 1.00 72.05 C ATOM 937 O ILE A 417 24.785 11.687 -6.359 1.00 12.45 O ATOM 938 CB ILE A 417 25.887 8.899 -7.066 1.00 65.34 C ATOM 939 CG1 ILE A 417 26.476 8.407 -5.748 1.00 31.33 C ATOM 940 CG2 ILE A 417 26.779 9.948 -7.707 1.00 71.52 C ATOM 941 CD1 ILE A 417 25.834 7.134 -5.238 1.00 35.20 C ATOM 0 H ILE A 417 24.215 10.480 -8.664 1.00 55.15 H new ATOM 0 HA ILE A 417 23.849 8.547 -6.440 1.00 54.30 H new ATOM 0 HB ILE A 417 25.858 8.050 -7.749 1.00 65.34 H new ATOM 0 HG12 ILE A 417 27.545 8.239 -5.877 1.00 31.33 H new ATOM 0 HG13 ILE A 417 26.365 9.188 -4.995 1.00 31.33 H new ATOM 0 HG21 ILE A 417 27.797 9.566 -7.778 1.00 71.52 H new ATOM 0 HG22 ILE A 417 26.408 10.180 -8.705 1.00 71.52 H new ATOM 0 HG23 ILE A 417 26.772 10.852 -7.098 1.00 71.52 H new ATOM 0 HD11 ILE A 417 26.302 6.842 -4.298 1.00 35.20 H new ATOM 0 HD12 ILE A 417 24.769 7.303 -5.077 1.00 35.20 H new ATOM 0 HD13 ILE A 417 25.968 6.339 -5.972 1.00 35.20 H new ATOM 953 N VAL A 418 23.470 10.547 -4.976 1.00 23.21 N ATOM 954 CA VAL A 418 23.227 11.737 -4.174 1.00 25.13 C ATOM 955 C VAL A 418 24.088 11.767 -2.918 1.00 2.54 C ATOM 956 O VAL A 418 23.956 10.934 -2.013 1.00 54.03 O ATOM 957 CB VAL A 418 21.705 11.980 -3.833 1.00 4.40 C ATOM 958 CG1 VAL A 418 21.143 10.931 -2.932 1.00 71.14 C ATOM 959 CG2 VAL A 418 21.469 13.375 -3.277 1.00 13.53 C ATOM 0 H VAL A 418 23.014 9.696 -4.647 1.00 23.21 H new ATOM 0 HA VAL A 418 23.527 12.571 -4.808 1.00 25.13 H new ATOM 0 HB VAL A 418 21.164 11.904 -4.776 1.00 4.40 H new ATOM 0 HG11 VAL A 418 20.094 11.148 -2.731 1.00 71.14 H new ATOM 0 HG12 VAL A 418 21.226 9.956 -3.412 1.00 71.14 H new ATOM 0 HG13 VAL A 418 21.698 10.922 -1.994 1.00 71.14 H new ATOM 0 HG21 VAL A 418 20.410 13.504 -3.055 1.00 13.53 H new ATOM 0 HG22 VAL A 418 22.050 13.506 -2.364 1.00 13.53 H new ATOM 0 HG23 VAL A 418 21.778 14.117 -4.013 1.00 13.53 H new ATOM 969 N THR A 419 24.969 12.701 -2.887 1.00 33.44 N ATOM 970 CA THR A 419 25.819 12.909 -1.773 1.00 40.34 C ATOM 971 C THR A 419 25.254 14.087 -0.983 1.00 54.14 C ATOM 972 O THR A 419 25.190 15.220 -1.489 1.00 14.32 O ATOM 973 CB THR A 419 27.243 13.233 -2.269 1.00 23.21 C ATOM 974 OG1 THR A 419 27.674 12.191 -3.166 1.00 21.31 O ATOM 975 CG2 THR A 419 28.224 13.326 -1.109 1.00 74.21 C ATOM 0 H THR A 419 25.122 13.356 -3.653 1.00 33.44 H new ATOM 0 HA THR A 419 25.869 12.020 -1.144 1.00 40.34 H new ATOM 0 HB THR A 419 27.220 14.196 -2.778 1.00 23.21 H new ATOM 0 HG1 THR A 419 28.578 12.390 -3.488 1.00 21.31 H new ATOM 0 HG21 THR A 419 29.219 13.555 -1.491 1.00 74.21 H new ATOM 0 HG22 THR A 419 27.907 14.114 -0.427 1.00 74.21 H new ATOM 0 HG23 THR A 419 28.250 12.375 -0.577 1.00 74.21 H new ATOM 983 N VAL A 420 24.811 13.826 0.220 1.00 74.22 N ATOM 984 CA VAL A 420 24.223 14.862 1.020 1.00 61.32 C ATOM 985 C VAL A 420 25.219 15.322 2.056 1.00 42.15 C ATOM 986 O VAL A 420 25.727 14.527 2.840 1.00 63.54 O ATOM 987 CB VAL A 420 22.914 14.401 1.705 1.00 5.21 C ATOM 988 CG1 VAL A 420 22.247 15.565 2.421 1.00 4.43 C ATOM 989 CG2 VAL A 420 21.963 13.781 0.694 1.00 54.40 C ATOM 0 H VAL A 420 24.847 12.908 0.663 1.00 74.22 H new ATOM 0 HA VAL A 420 23.964 15.689 0.359 1.00 61.32 H new ATOM 0 HB VAL A 420 23.167 13.641 2.444 1.00 5.21 H new ATOM 0 HG11 VAL A 420 21.328 15.221 2.896 1.00 4.43 H new ATOM 0 HG12 VAL A 420 22.922 15.961 3.180 1.00 4.43 H new ATOM 0 HG13 VAL A 420 22.012 16.349 1.701 1.00 4.43 H new ATOM 0 HG21 VAL A 420 21.050 13.465 1.199 1.00 54.40 H new ATOM 0 HG22 VAL A 420 21.717 14.516 -0.073 1.00 54.40 H new ATOM 0 HG23 VAL A 420 22.438 12.917 0.229 1.00 54.40 H new ATOM 999 N GLU A 421 25.476 16.600 2.066 1.00 11.21 N ATOM 1000 CA GLU A 421 26.494 17.176 2.915 1.00 54.44 C ATOM 1001 C GLU A 421 25.918 17.955 4.104 1.00 70.21 C ATOM 1002 O GLU A 421 26.647 18.670 4.787 1.00 12.31 O ATOM 1003 CB GLU A 421 27.439 18.042 2.069 1.00 44.02 C ATOM 1004 CG GLU A 421 26.743 19.068 1.183 1.00 11.34 C ATOM 1005 CD GLU A 421 27.720 19.903 0.381 1.00 62.21 C ATOM 1006 OE1 GLU A 421 28.348 19.374 -0.573 1.00 54.13 O ATOM 1007 OE2 GLU A 421 27.892 21.095 0.710 1.00 21.12 O ATOM 0 H GLU A 421 24.985 17.279 1.484 1.00 11.21 H new ATOM 0 HA GLU A 421 27.060 16.356 3.357 1.00 54.44 H new ATOM 0 HB2 GLU A 421 28.125 18.564 2.736 1.00 44.02 H new ATOM 0 HB3 GLU A 421 28.042 17.388 1.439 1.00 44.02 H new ATOM 0 HG2 GLU A 421 26.065 18.554 0.502 1.00 11.34 H new ATOM 0 HG3 GLU A 421 26.133 19.725 1.804 1.00 11.34 H new ATOM 1014 N CYS A 422 24.613 17.768 4.371 1.00 0.14 N ATOM 1015 CA CYS A 422 23.930 18.407 5.525 1.00 63.50 C ATOM 1016 C CYS A 422 23.760 19.925 5.397 1.00 4.00 C ATOM 1017 O CYS A 422 24.665 20.643 4.983 1.00 53.21 O ATOM 1018 CB CYS A 422 24.598 18.022 6.866 1.00 13.12 C ATOM 1019 SG CYS A 422 24.134 19.076 8.294 1.00 64.42 S ATOM 0 H CYS A 422 24.003 17.178 3.805 1.00 0.14 H new ATOM 0 HA CYS A 422 22.918 18.003 5.517 1.00 63.50 H new ATOM 0 HB2 CYS A 422 24.342 16.988 7.098 1.00 13.12 H new ATOM 0 HB3 CYS A 422 25.680 18.062 6.740 1.00 13.12 H new ATOM 0 HG CYS A 422 24.751 18.659 9.360 1.00 64.42 H new ATOM 1024 N GLY A 423 22.584 20.390 5.748 1.00 51.24 N ATOM 1025 CA GLY A 423 22.269 21.787 5.700 1.00 33.03 C ATOM 1026 C GLY A 423 21.152 22.073 6.655 1.00 60.03 C ATOM 1027 O GLY A 423 20.797 21.202 7.460 1.00 62.22 O ATOM 0 H GLY A 423 21.818 19.801 6.076 1.00 51.24 H new ATOM 0 HA2 GLY A 423 23.146 22.379 5.960 1.00 33.03 H new ATOM 0 HA3 GLY A 423 21.981 22.072 4.688 1.00 33.03 H new ATOM 1031 N VAL A 424 20.584 23.238 6.575 1.00 10.43 N ATOM 1032 CA VAL A 424 19.487 23.612 7.459 1.00 24.21 C ATOM 1033 C VAL A 424 18.185 23.385 6.715 1.00 53.11 C ATOM 1034 O VAL A 424 17.123 23.163 7.304 1.00 31.42 O ATOM 1035 CB VAL A 424 19.589 25.114 7.863 1.00 74.14 C ATOM 1036 CG1 VAL A 424 18.496 25.507 8.852 1.00 31.24 C ATOM 1037 CG2 VAL A 424 20.958 25.426 8.432 1.00 43.23 C ATOM 0 H VAL A 424 20.854 23.960 5.907 1.00 10.43 H new ATOM 0 HA VAL A 424 19.531 23.009 8.366 1.00 24.21 H new ATOM 0 HB VAL A 424 19.445 25.705 6.959 1.00 74.14 H new ATOM 0 HG11 VAL A 424 18.600 26.561 9.110 1.00 31.24 H new ATOM 0 HG12 VAL A 424 17.519 25.339 8.400 1.00 31.24 H new ATOM 0 HG13 VAL A 424 18.587 24.902 9.754 1.00 31.24 H new ATOM 0 HG21 VAL A 424 21.006 26.480 8.707 1.00 43.23 H new ATOM 0 HG22 VAL A 424 21.133 24.812 9.315 1.00 43.23 H new ATOM 0 HG23 VAL A 424 21.721 25.211 7.684 1.00 43.23 H new ATOM 1047 N GLU A 425 18.304 23.399 5.428 1.00 24.54 N ATOM 1048 CA GLU A 425 17.218 23.290 4.521 1.00 64.45 C ATOM 1049 C GLU A 425 17.519 22.215 3.488 1.00 11.32 C ATOM 1050 O GLU A 425 18.668 21.820 3.327 1.00 65.43 O ATOM 1051 CB GLU A 425 17.001 24.642 3.812 1.00 1.33 C ATOM 1052 CG GLU A 425 18.215 25.175 2.998 1.00 1.33 C ATOM 1053 CD GLU A 425 19.441 25.582 3.838 1.00 15.41 C ATOM 1054 OE1 GLU A 425 20.299 24.714 4.156 1.00 41.42 O ATOM 1055 OE2 GLU A 425 19.565 26.778 4.182 1.00 71.10 O ATOM 0 H GLU A 425 19.207 23.491 4.962 1.00 24.54 H new ATOM 0 HA GLU A 425 16.316 23.019 5.069 1.00 64.45 H new ATOM 0 HB2 GLU A 425 16.149 24.547 3.139 1.00 1.33 H new ATOM 0 HB3 GLU A 425 16.734 25.387 4.562 1.00 1.33 H new ATOM 0 HG2 GLU A 425 18.520 24.407 2.287 1.00 1.33 H new ATOM 0 HG3 GLU A 425 17.891 26.038 2.416 1.00 1.33 H new ATOM 1062 N ASN A 426 16.486 21.723 2.832 1.00 22.23 N ATOM 1063 CA ASN A 426 16.641 20.753 1.748 1.00 73.31 C ATOM 1064 C ASN A 426 16.829 21.490 0.453 1.00 70.32 C ATOM 1065 O ASN A 426 15.880 22.121 -0.054 1.00 30.22 O ATOM 1066 CB ASN A 426 15.399 19.841 1.594 1.00 74.33 C ATOM 1067 CG ASN A 426 15.157 18.898 2.747 1.00 0.04 C ATOM 1068 OD1 ASN A 426 15.622 17.764 2.747 1.00 12.03 O ATOM 1069 ND2 ASN A 426 14.427 19.343 3.731 1.00 43.24 N ATOM 0 H ASN A 426 15.518 21.978 3.028 1.00 22.23 H new ATOM 0 HA ASN A 426 17.503 20.131 1.991 1.00 73.31 H new ATOM 0 HB2 ASN A 426 14.518 20.470 1.467 1.00 74.33 H new ATOM 0 HB3 ASN A 426 15.507 19.255 0.681 1.00 74.33 H new ATOM 0 HD21 ASN A 426 14.228 18.742 4.531 1.00 43.24 H new ATOM 0 HD22 ASN A 426 14.055 20.292 3.701 1.00 43.24 H new ATOM 1076 N GLU A 427 18.014 21.446 -0.083 1.00 41.23 N ATOM 1077 CA GLU A 427 18.277 22.084 -1.332 1.00 30.31 C ATOM 1078 C GLU A 427 19.340 21.344 -2.084 1.00 62.13 C ATOM 1079 O GLU A 427 20.213 20.676 -1.483 1.00 41.10 O ATOM 1080 CB GLU A 427 18.666 23.566 -1.181 1.00 12.04 C ATOM 1081 CG GLU A 427 19.923 23.828 -0.375 1.00 31.44 C ATOM 1082 CD GLU A 427 20.321 25.283 -0.413 1.00 13.02 C ATOM 1083 OE1 GLU A 427 19.808 26.079 0.376 1.00 42.01 O ATOM 1084 OE2 GLU A 427 21.163 25.658 -1.245 1.00 71.42 O ATOM 0 H GLU A 427 18.816 20.971 0.331 1.00 41.23 H new ATOM 0 HA GLU A 427 17.345 22.058 -1.897 1.00 30.31 H new ATOM 0 HB2 GLU A 427 18.796 23.993 -2.175 1.00 12.04 H new ATOM 0 HB3 GLU A 427 17.837 24.096 -0.712 1.00 12.04 H new ATOM 0 HG2 GLU A 427 19.762 23.522 0.659 1.00 31.44 H new ATOM 0 HG3 GLU A 427 20.738 23.218 -0.765 1.00 31.44 H new ATOM 1091 N ILE A 428 19.256 21.422 -3.372 1.00 62.41 N ATOM 1092 CA ILE A 428 20.228 20.834 -4.234 1.00 14.11 C ATOM 1093 C ILE A 428 21.318 21.852 -4.476 1.00 2.43 C ATOM 1094 O ILE A 428 21.037 23.014 -4.784 1.00 13.51 O ATOM 1095 CB ILE A 428 19.594 20.412 -5.576 1.00 63.24 C ATOM 1096 CG1 ILE A 428 18.403 19.485 -5.308 1.00 74.24 C ATOM 1097 CG2 ILE A 428 20.625 19.730 -6.482 1.00 54.32 C ATOM 1098 CD1 ILE A 428 17.688 19.006 -6.553 1.00 24.24 C ATOM 0 H ILE A 428 18.501 21.902 -3.861 1.00 62.41 H new ATOM 0 HA ILE A 428 20.637 19.939 -3.765 1.00 14.11 H new ATOM 0 HB ILE A 428 19.242 21.303 -6.096 1.00 63.24 H new ATOM 0 HG12 ILE A 428 18.753 18.617 -4.749 1.00 74.24 H new ATOM 0 HG13 ILE A 428 17.688 20.007 -4.672 1.00 74.24 H new ATOM 0 HG21 ILE A 428 20.151 19.443 -7.421 1.00 54.32 H new ATOM 0 HG22 ILE A 428 21.444 20.420 -6.685 1.00 54.32 H new ATOM 0 HG23 ILE A 428 21.014 18.841 -5.985 1.00 54.32 H new ATOM 0 HD11 ILE A 428 16.860 18.356 -6.270 1.00 24.24 H new ATOM 0 HD12 ILE A 428 17.304 19.864 -7.105 1.00 24.24 H new ATOM 0 HD13 ILE A 428 18.385 18.452 -7.182 1.00 24.24 H new ATOM 1110 N VAL A 429 22.541 21.438 -4.307 1.00 2.45 N ATOM 1111 CA VAL A 429 23.658 22.317 -4.502 1.00 31.00 C ATOM 1112 C VAL A 429 23.997 22.374 -5.984 1.00 64.33 C ATOM 1113 O VAL A 429 23.927 23.430 -6.609 1.00 72.45 O ATOM 1114 CB VAL A 429 24.898 21.867 -3.684 1.00 22.33 C ATOM 1115 CG1 VAL A 429 26.056 22.834 -3.873 1.00 42.50 C ATOM 1116 CG2 VAL A 429 24.552 21.726 -2.206 1.00 34.43 C ATOM 0 H VAL A 429 22.791 20.488 -4.032 1.00 2.45 H new ATOM 0 HA VAL A 429 23.379 23.309 -4.145 1.00 31.00 H new ATOM 0 HB VAL A 429 25.208 20.891 -4.057 1.00 22.33 H new ATOM 0 HG11 VAL A 429 26.912 22.495 -3.289 1.00 42.50 H new ATOM 0 HG12 VAL A 429 26.329 22.873 -4.928 1.00 42.50 H new ATOM 0 HG13 VAL A 429 25.759 23.828 -3.538 1.00 42.50 H new ATOM 0 HG21 VAL A 429 25.437 21.410 -1.654 1.00 34.43 H new ATOM 0 HG22 VAL A 429 24.207 22.685 -1.820 1.00 34.43 H new ATOM 0 HG23 VAL A 429 23.764 20.982 -2.086 1.00 34.43 H new ATOM 1126 N SER A 430 24.348 21.235 -6.545 1.00 1.44 N ATOM 1127 CA SER A 430 24.680 21.119 -7.956 1.00 25.44 C ATOM 1128 C SER A 430 24.598 19.658 -8.362 1.00 52.12 C ATOM 1129 O SER A 430 24.554 18.775 -7.498 1.00 53.52 O ATOM 1130 CB SER A 430 26.108 21.636 -8.232 1.00 10.43 C ATOM 1131 OG SER A 430 26.269 22.995 -7.822 1.00 1.31 O ATOM 0 H SER A 430 24.412 20.355 -6.033 1.00 1.44 H new ATOM 0 HA SER A 430 23.975 21.719 -8.531 1.00 25.44 H new ATOM 0 HB2 SER A 430 26.829 21.010 -7.706 1.00 10.43 H new ATOM 0 HB3 SER A 430 26.327 21.549 -9.296 1.00 10.43 H new ATOM 0 HG SER A 430 25.388 23.410 -7.711 1.00 1.31 H new ATOM 1137 N VAL A 431 24.559 19.413 -9.650 1.00 21.24 N ATOM 1138 CA VAL A 431 24.577 18.073 -10.192 1.00 31.02 C ATOM 1139 C VAL A 431 25.625 18.067 -11.284 1.00 3.22 C ATOM 1140 O VAL A 431 25.714 19.033 -12.039 1.00 35.01 O ATOM 1141 CB VAL A 431 23.211 17.659 -10.812 1.00 71.10 C ATOM 1142 CG1 VAL A 431 23.265 16.223 -11.302 1.00 40.31 C ATOM 1143 CG2 VAL A 431 22.066 17.843 -9.827 1.00 3.34 C ATOM 0 H VAL A 431 24.513 20.145 -10.359 1.00 21.24 H new ATOM 0 HA VAL A 431 24.790 17.366 -9.390 1.00 31.02 H new ATOM 0 HB VAL A 431 23.022 18.315 -11.661 1.00 71.10 H new ATOM 0 HG11 VAL A 431 22.302 15.949 -11.733 1.00 40.31 H new ATOM 0 HG12 VAL A 431 24.042 16.126 -12.060 1.00 40.31 H new ATOM 0 HG13 VAL A 431 23.490 15.561 -10.465 1.00 40.31 H new ATOM 0 HG21 VAL A 431 21.130 17.543 -10.297 1.00 3.34 H new ATOM 0 HG22 VAL A 431 22.242 17.227 -8.945 1.00 3.34 H new ATOM 0 HG23 VAL A 431 22.005 18.891 -9.532 1.00 3.34 H new ATOM 1153 N LEU A 432 26.429 17.034 -11.357 1.00 45.42 N ATOM 1154 CA LEU A 432 27.476 16.988 -12.350 1.00 3.33 C ATOM 1155 C LEU A 432 27.558 15.625 -13.029 1.00 15.20 C ATOM 1156 O LEU A 432 27.608 14.591 -12.366 1.00 33.24 O ATOM 1157 CB LEU A 432 28.822 17.325 -11.704 1.00 74.24 C ATOM 1158 CG LEU A 432 30.027 17.372 -12.640 1.00 3.53 C ATOM 1159 CD1 LEU A 432 29.872 18.485 -13.668 1.00 73.12 C ATOM 1160 CD2 LEU A 432 31.309 17.539 -11.847 1.00 12.43 C ATOM 0 H LEU A 432 26.380 16.219 -10.746 1.00 45.42 H new ATOM 0 HA LEU A 432 27.237 17.727 -13.115 1.00 3.33 H new ATOM 0 HB2 LEU A 432 28.733 18.294 -11.212 1.00 74.24 H new ATOM 0 HB3 LEU A 432 29.022 16.589 -10.925 1.00 74.24 H new ATOM 0 HG LEU A 432 30.081 16.426 -13.178 1.00 3.53 H new ATOM 0 HD11 LEU A 432 30.743 18.499 -14.324 1.00 73.12 H new ATOM 0 HD12 LEU A 432 28.974 18.310 -14.261 1.00 73.12 H new ATOM 0 HD13 LEU A 432 29.788 19.444 -13.156 1.00 73.12 H new ATOM 0 HD21 LEU A 432 32.158 17.571 -12.530 1.00 12.43 H new ATOM 0 HD22 LEU A 432 31.266 18.468 -11.278 1.00 12.43 H new ATOM 0 HD23 LEU A 432 31.425 16.699 -11.162 1.00 12.43 H new ATOM 1172 N GLU A 433 27.558 15.632 -14.338 1.00 1.13 N ATOM 1173 CA GLU A 433 27.765 14.431 -15.117 1.00 64.31 C ATOM 1174 C GLU A 433 29.240 14.365 -15.453 1.00 73.54 C ATOM 1175 O GLU A 433 29.732 15.162 -16.262 1.00 74.33 O ATOM 1176 CB GLU A 433 26.958 14.487 -16.411 1.00 34.33 C ATOM 1177 CG GLU A 433 27.155 13.287 -17.335 1.00 42.53 C ATOM 1178 CD GLU A 433 26.476 13.492 -18.657 1.00 3.52 C ATOM 1179 OE1 GLU A 433 25.263 13.268 -18.769 1.00 63.12 O ATOM 1180 OE2 GLU A 433 27.150 13.913 -19.608 1.00 44.34 O ATOM 0 H GLU A 433 27.414 16.472 -14.898 1.00 1.13 H new ATOM 0 HA GLU A 433 27.444 13.556 -14.552 1.00 64.31 H new ATOM 0 HB2 GLU A 433 25.900 14.567 -16.161 1.00 34.33 H new ATOM 0 HB3 GLU A 433 27.227 15.394 -16.953 1.00 34.33 H new ATOM 0 HG2 GLU A 433 28.220 13.120 -17.494 1.00 42.53 H new ATOM 0 HG3 GLU A 433 26.760 12.390 -16.857 1.00 42.53 H new ATOM 1187 N ALA A 434 29.952 13.479 -14.818 1.00 60.14 N ATOM 1188 CA ALA A 434 31.378 13.380 -15.059 1.00 34.21 C ATOM 1189 C ALA A 434 31.838 11.953 -14.972 1.00 71.23 C ATOM 1190 O ALA A 434 33.032 11.661 -15.084 1.00 41.40 O ATOM 1191 CB ALA A 434 32.128 14.227 -14.049 1.00 25.03 C ATOM 0 H ALA A 434 29.582 12.818 -14.135 1.00 60.14 H new ATOM 0 HA ALA A 434 31.585 13.745 -16.065 1.00 34.21 H new ATOM 0 HB1 ALA A 434 33.199 14.150 -14.234 1.00 25.03 H new ATOM 0 HB2 ALA A 434 31.817 15.267 -14.144 1.00 25.03 H new ATOM 0 HB3 ALA A 434 31.907 13.873 -13.042 1.00 25.03 H new ATOM 1197 N GLN A 435 30.911 11.064 -14.781 1.00 2.35 N ATOM 1198 CA GLN A 435 31.226 9.698 -14.613 1.00 23.51 C ATOM 1199 C GLN A 435 30.176 8.831 -15.250 1.00 41.55 C ATOM 1200 O GLN A 435 29.131 8.649 -14.696 1.00 51.01 O ATOM 1201 CB GLN A 435 31.317 9.396 -13.140 1.00 15.04 C ATOM 1202 CG GLN A 435 31.663 7.973 -12.826 1.00 74.31 C ATOM 1203 CD GLN A 435 31.904 7.753 -11.353 1.00 34.31 C ATOM 1204 OE1 GLN A 435 33.031 7.881 -10.881 1.00 42.24 O ATOM 1205 NE2 GLN A 435 30.876 7.422 -10.615 1.00 23.41 N ATOM 0 H GLN A 435 29.914 11.277 -14.739 1.00 2.35 H new ATOM 0 HA GLN A 435 32.180 9.487 -15.095 1.00 23.51 H new ATOM 0 HB2 GLN A 435 32.067 10.048 -12.692 1.00 15.04 H new ATOM 0 HB3 GLN A 435 30.363 9.638 -12.671 1.00 15.04 H new ATOM 0 HG2 GLN A 435 30.855 7.323 -13.161 1.00 74.31 H new ATOM 0 HG3 GLN A 435 32.554 7.687 -13.384 1.00 74.31 H new ATOM 0 HE21 GLN A 435 29.954 7.324 -11.040 1.00 23.41 H new ATOM 0 HE22 GLN A 435 30.997 7.262 -9.615 1.00 23.41 H new ATOM 1214 N LYS A 436 30.460 8.375 -16.446 1.00 73.21 N ATOM 1215 CA LYS A 436 29.619 7.422 -17.206 1.00 42.01 C ATOM 1216 C LYS A 436 28.093 7.542 -17.063 1.00 74.30 C ATOM 1217 O LYS A 436 27.423 6.622 -16.604 1.00 1.43 O ATOM 1218 CB LYS A 436 30.176 5.971 -17.196 1.00 21.33 C ATOM 1219 CG LYS A 436 30.635 5.442 -15.808 1.00 41.22 C ATOM 1220 CD LYS A 436 29.500 5.217 -14.805 1.00 53.43 C ATOM 1221 CE LYS A 436 28.596 4.072 -15.231 1.00 2.23 C ATOM 1222 NZ LYS A 436 29.335 2.797 -15.346 1.00 74.15 N ATOM 0 H LYS A 436 31.302 8.652 -16.950 1.00 73.21 H new ATOM 0 HA LYS A 436 29.730 7.777 -18.231 1.00 42.01 H new ATOM 0 HB2 LYS A 436 29.408 5.302 -17.585 1.00 21.33 H new ATOM 0 HB3 LYS A 436 31.021 5.920 -17.883 1.00 21.33 H new ATOM 0 HG2 LYS A 436 31.168 4.502 -15.950 1.00 41.22 H new ATOM 0 HG3 LYS A 436 31.345 6.150 -15.381 1.00 41.22 H new ATOM 0 HD2 LYS A 436 29.919 5.004 -13.822 1.00 53.43 H new ATOM 0 HD3 LYS A 436 28.912 6.130 -14.709 1.00 53.43 H new ATOM 0 HE2 LYS A 436 27.788 3.959 -14.508 1.00 2.23 H new ATOM 0 HE3 LYS A 436 28.135 4.311 -16.189 1.00 2.23 H new ATOM 0 HZ1 LYS A 436 28.661 2.005 -15.352 1.00 74.15 H new ATOM 0 HZ2 LYS A 436 29.883 2.792 -16.230 1.00 74.15 H new ATOM 0 HZ3 LYS A 436 29.981 2.696 -14.537 1.00 74.15 H new ATOM 1236 N CYS A 437 27.574 8.715 -17.429 1.00 13.21 N ATOM 1237 CA CYS A 437 26.133 9.016 -17.381 1.00 41.22 C ATOM 1238 C CYS A 437 25.566 8.926 -15.967 1.00 21.15 C ATOM 1239 O CYS A 437 24.345 8.890 -15.775 1.00 74.20 O ATOM 1240 CB CYS A 437 25.354 8.123 -18.358 1.00 12.22 C ATOM 1241 SG CYS A 437 25.820 8.375 -20.112 1.00 11.31 S ATOM 0 H CYS A 437 28.141 9.491 -17.770 1.00 13.21 H new ATOM 0 HA CYS A 437 26.011 10.052 -17.697 1.00 41.22 H new ATOM 0 HB2 CYS A 437 25.519 7.079 -18.093 1.00 12.22 H new ATOM 0 HB3 CYS A 437 24.288 8.316 -18.243 1.00 12.22 H new ATOM 1246 N GLU A 438 26.444 8.929 -14.988 1.00 51.20 N ATOM 1247 CA GLU A 438 26.052 8.903 -13.636 1.00 51.33 C ATOM 1248 C GLU A 438 26.208 10.310 -13.099 1.00 20.30 C ATOM 1249 O GLU A 438 27.283 10.929 -13.209 1.00 61.34 O ATOM 1250 CB GLU A 438 26.882 7.871 -12.873 1.00 1.51 C ATOM 1251 CG GLU A 438 26.433 7.639 -11.440 1.00 34.21 C ATOM 1252 CD GLU A 438 27.063 6.412 -10.834 1.00 14.42 C ATOM 1253 OE1 GLU A 438 28.253 6.453 -10.481 1.00 33.22 O ATOM 1254 OE2 GLU A 438 26.366 5.361 -10.728 1.00 21.41 O ATOM 0 H GLU A 438 27.454 8.950 -15.131 1.00 51.20 H new ATOM 0 HA GLU A 438 25.013 8.597 -13.516 1.00 51.33 H new ATOM 0 HB2 GLU A 438 26.844 6.923 -13.410 1.00 1.51 H new ATOM 0 HB3 GLU A 438 27.923 8.193 -12.867 1.00 1.51 H new ATOM 0 HG2 GLU A 438 26.687 8.511 -10.837 1.00 34.21 H new ATOM 0 HG3 GLU A 438 25.348 7.538 -11.414 1.00 34.21 H new ATOM 1261 N TYR A 439 25.145 10.821 -12.573 1.00 11.20 N ATOM 1262 CA TYR A 439 25.081 12.180 -12.142 1.00 45.15 C ATOM 1263 C TYR A 439 25.388 12.318 -10.682 1.00 1.23 C ATOM 1264 O TYR A 439 24.700 11.757 -9.825 1.00 73.12 O ATOM 1265 CB TYR A 439 23.704 12.775 -12.476 1.00 24.03 C ATOM 1266 CG TYR A 439 23.437 12.880 -13.956 1.00 31.01 C ATOM 1267 CD1 TYR A 439 23.032 11.776 -14.684 1.00 34.31 C ATOM 1268 CD2 TYR A 439 23.596 14.081 -14.628 1.00 23.31 C ATOM 1269 CE1 TYR A 439 22.795 11.859 -16.030 1.00 44.42 C ATOM 1270 CE2 TYR A 439 23.355 14.170 -15.982 1.00 30.10 C ATOM 1271 CZ TYR A 439 22.956 13.049 -16.674 1.00 15.21 C ATOM 1272 OH TYR A 439 22.708 13.125 -18.015 1.00 53.43 O ATOM 0 H TYR A 439 24.281 10.298 -12.428 1.00 11.20 H new ATOM 0 HA TYR A 439 25.846 12.740 -12.681 1.00 45.15 H new ATOM 0 HB2 TYR A 439 22.930 12.159 -12.018 1.00 24.03 H new ATOM 0 HB3 TYR A 439 23.628 13.767 -12.030 1.00 24.03 H new ATOM 0 HD1 TYR A 439 22.900 10.830 -14.181 1.00 34.31 H new ATOM 0 HD2 TYR A 439 23.913 14.959 -14.084 1.00 23.31 H new ATOM 0 HE1 TYR A 439 22.481 10.984 -16.580 1.00 44.42 H new ATOM 0 HE2 TYR A 439 23.478 15.112 -16.496 1.00 30.10 H new ATOM 0 HH TYR A 439 23.531 12.932 -18.511 1.00 53.43 H new ATOM 1282 N LEU A 440 26.426 13.061 -10.415 1.00 63.45 N ATOM 1283 CA LEU A 440 26.872 13.352 -9.078 1.00 23.40 C ATOM 1284 C LEU A 440 25.965 14.440 -8.536 1.00 72.53 C ATOM 1285 O LEU A 440 25.988 15.566 -9.032 1.00 2.52 O ATOM 1286 CB LEU A 440 28.302 13.903 -9.131 1.00 20.42 C ATOM 1287 CG LEU A 440 29.343 13.076 -9.897 1.00 3.02 C ATOM 1288 CD1 LEU A 440 30.663 13.821 -9.951 1.00 13.14 C ATOM 1289 CD2 LEU A 440 29.535 11.707 -9.268 1.00 1.33 C ATOM 0 H LEU A 440 27.001 13.493 -11.139 1.00 63.45 H new ATOM 0 HA LEU A 440 26.847 12.456 -8.457 1.00 23.40 H new ATOM 0 HB2 LEU A 440 28.265 14.897 -9.577 1.00 20.42 H new ATOM 0 HB3 LEU A 440 28.655 14.026 -8.107 1.00 20.42 H new ATOM 0 HG LEU A 440 28.975 12.927 -10.912 1.00 3.02 H new ATOM 0 HD11 LEU A 440 31.395 13.225 -10.497 1.00 13.14 H new ATOM 0 HD12 LEU A 440 30.522 14.776 -10.458 1.00 13.14 H new ATOM 0 HD13 LEU A 440 31.023 13.998 -8.937 1.00 13.14 H new ATOM 0 HD21 LEU A 440 30.279 11.147 -9.835 1.00 1.33 H new ATOM 0 HD22 LEU A 440 29.875 11.824 -8.239 1.00 1.33 H new ATOM 0 HD23 LEU A 440 28.589 11.166 -9.278 1.00 1.33 H new ATOM 1301 N ILE A 441 25.154 14.115 -7.582 1.00 42.13 N ATOM 1302 CA ILE A 441 24.223 15.070 -7.048 1.00 21.13 C ATOM 1303 C ILE A 441 24.666 15.526 -5.672 1.00 11.54 C ATOM 1304 O ILE A 441 25.001 14.706 -4.811 1.00 21.33 O ATOM 1305 CB ILE A 441 22.798 14.463 -6.944 1.00 74.33 C ATOM 1306 CG1 ILE A 441 22.339 13.947 -8.310 1.00 12.11 C ATOM 1307 CG2 ILE A 441 21.805 15.505 -6.411 1.00 73.54 C ATOM 1308 CD1 ILE A 441 21.003 13.250 -8.280 1.00 32.52 C ATOM 0 H ILE A 441 25.113 13.191 -7.151 1.00 42.13 H new ATOM 0 HA ILE A 441 24.198 15.921 -7.728 1.00 21.13 H new ATOM 0 HB ILE A 441 22.831 13.627 -6.245 1.00 74.33 H new ATOM 0 HG12 ILE A 441 22.286 14.785 -9.005 1.00 12.11 H new ATOM 0 HG13 ILE A 441 23.089 13.258 -8.698 1.00 12.11 H new ATOM 0 HG21 ILE A 441 20.812 15.061 -6.345 1.00 73.54 H new ATOM 0 HG22 ILE A 441 22.121 15.836 -5.422 1.00 73.54 H new ATOM 0 HG23 ILE A 441 21.776 16.359 -7.087 1.00 73.54 H new ATOM 0 HD11 ILE A 441 20.746 12.913 -9.284 1.00 32.52 H new ATOM 0 HD12 ILE A 441 21.056 12.391 -7.611 1.00 32.52 H new ATOM 0 HD13 ILE A 441 20.240 13.941 -7.923 1.00 32.52 H new ATOM 1320 N LYS A 442 24.699 16.813 -5.482 1.00 51.42 N ATOM 1321 CA LYS A 442 24.980 17.393 -4.198 1.00 12.01 C ATOM 1322 C LYS A 442 23.730 17.955 -3.602 1.00 51.43 C ATOM 1323 O LYS A 442 23.020 18.732 -4.241 1.00 1.43 O ATOM 1324 CB LYS A 442 26.010 18.516 -4.279 1.00 14.33 C ATOM 1325 CG LYS A 442 27.453 18.099 -4.401 1.00 65.11 C ATOM 1326 CD LYS A 442 27.892 17.311 -3.179 1.00 73.44 C ATOM 1327 CE LYS A 442 29.402 17.292 -3.037 1.00 5.13 C ATOM 1328 NZ LYS A 442 29.926 18.654 -2.745 1.00 54.45 N ATOM 0 H LYS A 442 24.530 17.497 -6.220 1.00 51.42 H new ATOM 0 HA LYS A 442 25.384 16.592 -3.578 1.00 12.01 H new ATOM 0 HB2 LYS A 442 25.763 19.144 -5.135 1.00 14.33 H new ATOM 0 HB3 LYS A 442 25.909 19.137 -3.389 1.00 14.33 H new ATOM 0 HG2 LYS A 442 27.587 17.493 -5.297 1.00 65.11 H new ATOM 0 HG3 LYS A 442 28.083 18.981 -4.516 1.00 65.11 H new ATOM 0 HD2 LYS A 442 27.448 17.748 -2.285 1.00 73.44 H new ATOM 0 HD3 LYS A 442 27.520 16.289 -3.252 1.00 73.44 H new ATOM 0 HE2 LYS A 442 29.687 16.609 -2.237 1.00 5.13 H new ATOM 0 HE3 LYS A 442 29.853 16.914 -3.955 1.00 5.13 H new ATOM 0 HZ1 LYS A 442 30.881 18.579 -2.341 1.00 54.45 H new ATOM 0 HZ2 LYS A 442 29.965 19.207 -3.625 1.00 54.45 H new ATOM 0 HZ3 LYS A 442 29.299 19.129 -2.065 1.00 54.45 H new ATOM 1342 N MET A 443 23.470 17.580 -2.400 1.00 41.13 N ATOM 1343 CA MET A 443 22.366 18.107 -1.648 1.00 22.25 C ATOM 1344 C MET A 443 22.776 18.312 -0.255 1.00 4.54 C ATOM 1345 O MET A 443 23.789 17.782 0.199 1.00 40.44 O ATOM 1346 CB MET A 443 21.110 17.216 -1.632 1.00 71.21 C ATOM 1347 CG MET A 443 20.308 17.153 -2.906 1.00 23.24 C ATOM 1348 SD MET A 443 18.740 16.280 -2.673 1.00 61.41 S ATOM 1349 CE MET A 443 17.932 17.308 -1.412 1.00 15.31 C ATOM 0 H MET A 443 24.022 16.887 -1.895 1.00 41.13 H new ATOM 0 HA MET A 443 22.098 19.036 -2.151 1.00 22.25 H new ATOM 0 HB2 MET A 443 21.415 16.202 -1.372 1.00 71.21 H new ATOM 0 HB3 MET A 443 20.455 17.566 -0.834 1.00 71.21 H new ATOM 0 HG2 MET A 443 20.111 18.164 -3.262 1.00 23.24 H new ATOM 0 HG3 MET A 443 20.892 16.652 -3.678 1.00 23.24 H new ATOM 0 HE1 MET A 443 16.854 17.147 -1.447 1.00 15.31 H new ATOM 0 HE2 MET A 443 18.307 17.036 -0.425 1.00 15.31 H new ATOM 0 HE3 MET A 443 18.149 18.359 -1.605 1.00 15.31 H new ATOM 1359 N LYS A 444 22.019 19.067 0.418 1.00 21.41 N ATOM 1360 CA LYS A 444 22.185 19.264 1.792 1.00 70.23 C ATOM 1361 C LYS A 444 20.825 19.358 2.392 1.00 63.12 C ATOM 1362 O LYS A 444 19.909 19.885 1.756 1.00 64.31 O ATOM 1363 CB LYS A 444 23.048 20.484 2.092 1.00 43.33 C ATOM 1364 CG LYS A 444 22.554 21.794 1.566 1.00 21.22 C ATOM 1365 CD LYS A 444 23.599 22.816 1.860 1.00 3.41 C ATOM 1366 CE LYS A 444 23.140 24.216 1.527 1.00 13.10 C ATOM 1367 NZ LYS A 444 24.156 25.219 1.898 1.00 54.42 N ATOM 0 H LYS A 444 21.238 19.585 0.016 1.00 21.41 H new ATOM 0 HA LYS A 444 22.724 18.427 2.236 1.00 70.23 H new ATOM 0 HB2 LYS A 444 23.155 20.569 3.173 1.00 43.33 H new ATOM 0 HB3 LYS A 444 24.044 20.306 1.686 1.00 43.33 H new ATOM 0 HG2 LYS A 444 22.369 21.732 0.494 1.00 21.22 H new ATOM 0 HG3 LYS A 444 21.609 22.065 2.037 1.00 21.22 H new ATOM 0 HD2 LYS A 444 23.867 22.765 2.915 1.00 3.41 H new ATOM 0 HD3 LYS A 444 24.500 22.586 1.291 1.00 3.41 H new ATOM 0 HE2 LYS A 444 22.929 24.287 0.460 1.00 13.10 H new ATOM 0 HE3 LYS A 444 22.208 24.429 2.051 1.00 13.10 H new ATOM 0 HZ1 LYS A 444 23.810 26.169 1.656 1.00 54.42 H new ATOM 0 HZ2 LYS A 444 24.338 25.167 2.921 1.00 54.42 H new ATOM 0 HZ3 LYS A 444 25.037 25.029 1.379 1.00 54.42 H new ATOM 1381 N SER A 445 20.665 18.788 3.553 1.00 72.44 N ATOM 1382 CA SER A 445 19.401 18.767 4.208 1.00 50.11 C ATOM 1383 C SER A 445 19.610 18.459 5.675 1.00 52.03 C ATOM 1384 O SER A 445 20.624 17.835 6.040 1.00 22.54 O ATOM 1385 CB SER A 445 18.529 17.677 3.571 1.00 42.24 C ATOM 1386 OG SER A 445 19.140 16.394 3.683 1.00 41.21 O ATOM 0 H SER A 445 21.414 18.325 4.068 1.00 72.44 H new ATOM 0 HA SER A 445 18.909 19.734 4.107 1.00 50.11 H new ATOM 0 HB2 SER A 445 17.552 17.661 4.055 1.00 42.24 H new ATOM 0 HB3 SER A 445 18.360 17.911 2.520 1.00 42.24 H new ATOM 0 HG SER A 445 18.562 15.719 3.270 1.00 41.21 H new ATOM 1392 N PRO A 446 18.707 18.915 6.547 1.00 21.34 N ATOM 1393 CA PRO A 446 18.750 18.568 7.968 1.00 32.22 C ATOM 1394 C PRO A 446 18.340 17.105 8.190 1.00 11.12 C ATOM 1395 O PRO A 446 18.755 16.468 9.160 1.00 52.32 O ATOM 1396 CB PRO A 446 17.716 19.513 8.598 1.00 71.52 C ATOM 1397 CG PRO A 446 16.770 19.825 7.487 1.00 2.41 C ATOM 1398 CD PRO A 446 17.605 19.861 6.242 1.00 22.33 C ATOM 0 HA PRO A 446 19.747 18.671 8.396 1.00 32.22 H new ATOM 0 HB2 PRO A 446 17.203 19.039 9.435 1.00 71.52 H new ATOM 0 HB3 PRO A 446 18.187 20.417 8.984 1.00 71.52 H new ATOM 0 HG2 PRO A 446 15.989 19.068 7.413 1.00 2.41 H new ATOM 0 HG3 PRO A 446 16.273 20.781 7.653 1.00 2.41 H new ATOM 0 HD2 PRO A 446 17.036 19.548 5.366 1.00 22.33 H new ATOM 0 HD3 PRO A 446 17.980 20.864 6.037 1.00 22.33 H new