USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 560 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 Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 166:sc=-0.00685 (180deg=-0.0824) USER MOD Single : A 24 THR OG1 : rot 170:sc= 0 USER MOD Single : A 27 SER OG : rot -92:sc= 1 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.74 K(o=0.74,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 48 ASN : amide:sc= -0.0376 X(o=-0.038,f=-0.41) USER MOD Single : A 51 SER OG : rot 78:sc= 1.2 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.959 K(o=0.96,f=-0.4) USER MOD Single : A 63 MET CE :methyl -178:sc= -1.14 (180deg=-1.19) USER MOD Single : A 66 CYS SG : rot 24:sc= -2.02 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0601 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 160:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HE2:sc= -0.57 K(o=-0.57,f=-3.5!) USER MOD Single : A 84 SER OG : rot 72:sc= 0.483 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 254 N PHE A 20 8.052 -10.425 5.171 1.00 0.00 N ATOM 255 CA PHE A 20 6.902 -9.537 5.144 1.00 0.00 C ATOM 256 C PHE A 20 7.438 -8.285 4.462 1.00 0.00 C ATOM 257 O PHE A 20 8.635 -8.008 4.548 1.00 0.00 O ATOM 258 CB PHE A 20 6.335 -9.255 6.544 1.00 0.00 C ATOM 259 CG PHE A 20 4.983 -9.905 6.790 1.00 0.00 C ATOM 260 CD1 PHE A 20 4.899 -11.275 7.092 1.00 0.00 C ATOM 261 CD2 PHE A 20 3.799 -9.147 6.685 1.00 0.00 C ATOM 262 CE1 PHE A 20 3.647 -11.880 7.293 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.543 -9.753 6.869 1.00 0.00 C ATOM 264 CZ PHE A 20 2.467 -11.125 7.167 1.00 0.00 C ATOM 0 HA PHE A 20 6.053 -9.970 4.615 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.043 -9.611 7.293 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.242 -8.178 6.680 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.800 -11.865 7.170 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.857 -8.092 6.461 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.590 -12.929 7.545 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.640 -9.167 6.782 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.505 -11.598 7.299 1.00 0.00 H new ATOM 274 N VAL A 21 6.577 -7.506 3.830 1.00 0.00 N ATOM 275 CA VAL A 21 6.973 -6.315 3.104 1.00 0.00 C ATOM 276 C VAL A 21 5.891 -5.254 3.262 1.00 0.00 C ATOM 277 O VAL A 21 4.727 -5.563 3.535 1.00 0.00 O ATOM 278 CB VAL A 21 7.251 -6.780 1.654 1.00 0.00 C ATOM 279 CG1 VAL A 21 6.049 -7.507 1.022 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.742 -5.676 0.720 1.00 0.00 C ATOM 0 H VAL A 21 5.573 -7.686 3.807 1.00 0.00 H new ATOM 0 HA VAL A 21 7.878 -5.836 3.478 1.00 0.00 H new ATOM 0 HB VAL A 21 8.072 -7.489 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.301 -7.810 0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.805 -8.389 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.190 -6.837 0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.912 -6.089 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.991 -4.888 0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.674 -5.262 1.105 1.00 0.00 H new ATOM 290 N THR A 22 6.297 -3.995 3.152 1.00 0.00 N ATOM 291 CA THR A 22 5.402 -2.862 3.269 1.00 0.00 C ATOM 292 C THR A 22 4.905 -2.493 1.864 1.00 0.00 C ATOM 293 O THR A 22 5.595 -2.726 0.870 1.00 0.00 O ATOM 294 CB THR A 22 6.151 -1.705 3.951 1.00 0.00 C ATOM 295 OG1 THR A 22 7.017 -2.149 4.987 1.00 0.00 O ATOM 296 CG2 THR A 22 5.203 -0.692 4.597 1.00 0.00 C ATOM 0 H THR A 22 7.268 -3.735 2.977 1.00 0.00 H new ATOM 0 HA THR A 22 4.533 -3.096 3.884 1.00 0.00 H new ATOM 0 HB THR A 22 6.719 -1.245 3.143 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.470 -1.378 5.387 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.784 0.103 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.551 -0.266 3.834 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.598 -1.191 5.354 1.00 0.00 H new ATOM 304 N MET A 23 3.716 -1.906 1.788 1.00 0.00 N ATOM 305 CA MET A 23 3.048 -1.455 0.580 1.00 0.00 C ATOM 306 C MET A 23 2.469 -0.079 0.890 1.00 0.00 C ATOM 307 O MET A 23 1.996 0.163 2.008 1.00 0.00 O ATOM 308 CB MET A 23 1.924 -2.439 0.213 1.00 0.00 C ATOM 309 CG MET A 23 2.383 -3.586 -0.685 1.00 0.00 C ATOM 310 SD MET A 23 2.675 -3.104 -2.404 1.00 0.00 S ATOM 311 CE MET A 23 2.372 -4.682 -3.246 1.00 0.00 C ATOM 0 H MET A 23 3.160 -1.722 2.623 1.00 0.00 H new ATOM 0 HA MET A 23 3.737 -1.404 -0.263 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.502 -2.853 1.129 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.125 -1.894 -0.289 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.301 -4.009 -0.276 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.631 -4.375 -0.662 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.266 -4.508 -4.317 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.210 -5.356 -3.069 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.458 -5.131 -2.859 1.00 0.00 H new ATOM 321 N THR A 24 2.448 0.805 -0.104 1.00 0.00 N ATOM 322 CA THR A 24 1.923 2.161 0.022 1.00 0.00 C ATOM 323 C THR A 24 0.869 2.365 -1.063 1.00 0.00 C ATOM 324 O THR A 24 0.940 1.755 -2.138 1.00 0.00 O ATOM 325 CB THR A 24 3.057 3.214 -0.037 1.00 0.00 C ATOM 326 OG1 THR A 24 4.353 2.651 -0.145 1.00 0.00 O ATOM 327 CG2 THR A 24 3.068 4.055 1.238 1.00 0.00 C ATOM 0 H THR A 24 2.802 0.595 -1.037 1.00 0.00 H new ATOM 0 HA THR A 24 1.454 2.296 0.997 1.00 0.00 H new ATOM 0 HB THR A 24 2.845 3.804 -0.929 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.002 3.359 -0.339 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.870 4.791 1.182 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.112 4.568 1.344 1.00 0.00 H new ATOM 0 HG23 THR A 24 3.229 3.407 2.100 1.00 0.00 H new ATOM 335 N LEU A 25 -0.137 3.191 -0.789 1.00 0.00 N ATOM 336 CA LEU A 25 -1.227 3.496 -1.705 1.00 0.00 C ATOM 337 C LEU A 25 -1.428 5.001 -1.577 1.00 0.00 C ATOM 338 O LEU A 25 -1.853 5.450 -0.511 1.00 0.00 O ATOM 339 CB LEU A 25 -2.478 2.694 -1.283 1.00 0.00 C ATOM 340 CG LEU A 25 -3.457 2.399 -2.430 1.00 0.00 C ATOM 341 CD1 LEU A 25 -2.931 1.296 -3.351 1.00 0.00 C ATOM 342 CD2 LEU A 25 -4.815 1.957 -1.867 1.00 0.00 C ATOM 0 H LEU A 25 -0.217 3.680 0.103 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.024 3.224 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.158 1.750 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.004 3.247 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.565 3.318 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.650 1.115 -4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.979 1.606 -3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.788 0.380 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.500 1.751 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.685 1.055 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.226 2.751 -1.243 1.00 0.00 H new ATOM 354 N GLU A 26 -1.031 5.796 -2.575 1.00 0.00 N ATOM 355 CA GLU A 26 -1.203 7.243 -2.500 1.00 0.00 C ATOM 356 C GLU A 26 -2.577 7.538 -3.084 1.00 0.00 C ATOM 357 O GLU A 26 -3.007 6.845 -4.009 1.00 0.00 O ATOM 358 CB GLU A 26 -0.071 7.960 -3.256 1.00 0.00 C ATOM 359 CG GLU A 26 1.240 7.956 -2.469 1.00 0.00 C ATOM 360 CD GLU A 26 2.370 8.615 -3.260 1.00 0.00 C ATOM 361 OE1 GLU A 26 2.533 9.850 -3.128 1.00 0.00 O ATOM 362 OE2 GLU A 26 3.120 7.880 -3.948 1.00 0.00 O ATOM 0 H GLU A 26 -0.593 5.463 -3.434 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.149 7.610 -1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.084 7.475 -4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.367 8.989 -3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.100 8.482 -1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.516 6.930 -2.224 1.00 0.00 H new ATOM 369 N SER A 27 -3.265 8.546 -2.569 1.00 0.00 N ATOM 370 CA SER A 27 -4.584 8.916 -3.053 1.00 0.00 C ATOM 371 C SER A 27 -4.464 10.224 -3.826 1.00 0.00 C ATOM 372 O SER A 27 -3.479 10.956 -3.687 1.00 0.00 O ATOM 373 CB SER A 27 -5.593 8.970 -1.895 1.00 0.00 C ATOM 374 OG SER A 27 -4.988 8.815 -0.618 1.00 0.00 O ATOM 0 H SER A 27 -2.924 9.129 -1.805 1.00 0.00 H new ATOM 0 HA SER A 27 -4.974 8.162 -3.737 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.122 9.923 -1.926 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.338 8.187 -2.034 1.00 0.00 H new ATOM 0 HG SER A 27 -4.996 7.868 -0.365 1.00 0.00 H new ATOM 380 N LEU A 28 -5.468 10.534 -4.639 1.00 0.00 N ATOM 381 CA LEU A 28 -5.500 11.729 -5.460 1.00 0.00 C ATOM 382 C LEU A 28 -5.675 13.003 -4.634 1.00 0.00 C ATOM 383 O LEU A 28 -4.960 13.982 -4.847 1.00 0.00 O ATOM 384 CB LEU A 28 -6.647 11.570 -6.473 1.00 0.00 C ATOM 385 CG LEU A 28 -6.251 12.048 -7.869 1.00 0.00 C ATOM 386 CD1 LEU A 28 -7.343 11.608 -8.847 1.00 0.00 C ATOM 387 CD2 LEU A 28 -6.071 13.569 -7.930 1.00 0.00 C ATOM 0 H LEU A 28 -6.296 9.948 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.543 11.836 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.946 10.523 -6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.514 12.134 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.290 11.607 -8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.084 11.937 -9.853 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.429 10.521 -8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.295 12.051 -8.553 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.790 13.862 -8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.007 14.057 -7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.288 13.871 -7.234 1.00 0.00 H new ATOM 399 N GLU A 29 -6.618 13.000 -3.694 1.00 0.00 N ATOM 400 CA GLU A 29 -6.958 14.122 -2.821 1.00 0.00 C ATOM 401 C GLU A 29 -7.128 13.628 -1.381 1.00 0.00 C ATOM 402 O GLU A 29 -7.144 12.422 -1.133 1.00 0.00 O ATOM 403 CB GLU A 29 -8.235 14.777 -3.383 1.00 0.00 C ATOM 404 CG GLU A 29 -7.917 15.728 -4.556 1.00 0.00 C ATOM 405 CD GLU A 29 -8.996 15.763 -5.636 1.00 0.00 C ATOM 406 OE1 GLU A 29 -10.166 15.402 -5.379 1.00 0.00 O ATOM 407 OE2 GLU A 29 -8.698 16.181 -6.783 1.00 0.00 O ATOM 0 H GLU A 29 -7.193 12.177 -3.512 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.164 14.869 -2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.924 14.002 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.739 15.331 -2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.775 16.736 -4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.973 15.426 -5.009 1.00 0.00 H new ATOM 414 N GLU A 30 -7.276 14.545 -0.422 1.00 0.00 N ATOM 415 CA GLU A 30 -7.427 14.262 1.004 1.00 0.00 C ATOM 416 C GLU A 30 -8.570 13.282 1.309 1.00 0.00 C ATOM 417 O GLU A 30 -9.572 13.243 0.587 1.00 0.00 O ATOM 418 CB GLU A 30 -7.551 15.591 1.767 1.00 0.00 C ATOM 419 CG GLU A 30 -7.087 15.482 3.226 1.00 0.00 C ATOM 420 CD GLU A 30 -7.037 16.848 3.914 1.00 0.00 C ATOM 421 OE1 GLU A 30 -6.228 17.722 3.516 1.00 0.00 O ATOM 422 OE2 GLU A 30 -7.789 17.078 4.888 1.00 0.00 O ATOM 0 H GLU A 30 -7.294 15.544 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.534 13.742 1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.961 16.354 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.589 15.923 1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.763 14.825 3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.099 15.023 3.259 1.00 0.00 H new ATOM 429 N ILE A 31 -8.418 12.507 2.387 1.00 0.00 N ATOM 430 CA ILE A 31 -9.373 11.496 2.850 1.00 0.00 C ATOM 431 C ILE A 31 -9.716 11.676 4.329 1.00 0.00 C ATOM 432 O ILE A 31 -9.030 12.383 5.075 1.00 0.00 O ATOM 433 CB ILE A 31 -8.829 10.067 2.585 1.00 0.00 C ATOM 434 CG1 ILE A 31 -7.473 9.818 3.293 1.00 0.00 C ATOM 435 CG2 ILE A 31 -8.774 9.822 1.071 1.00 0.00 C ATOM 436 CD1 ILE A 31 -7.041 8.348 3.336 1.00 0.00 C ATOM 0 H ILE A 31 -7.594 12.569 2.985 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.293 11.630 2.281 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.510 9.337 3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.701 10.396 2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.535 10.196 4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.392 8.819 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.775 9.916 0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.115 10.556 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.083 8.265 3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.790 7.764 3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.943 7.968 2.319 1.00 0.00 H new ATOM 448 N GLN A 32 -10.780 11.000 4.764 1.00 0.00 N ATOM 449 CA GLN A 32 -11.269 11.028 6.132 1.00 0.00 C ATOM 450 C GLN A 32 -10.447 10.131 7.060 1.00 0.00 C ATOM 451 O GLN A 32 -9.753 10.625 7.946 1.00 0.00 O ATOM 452 CB GLN A 32 -12.747 10.603 6.148 1.00 0.00 C ATOM 453 CG GLN A 32 -13.651 11.790 5.822 1.00 0.00 C ATOM 454 CD GLN A 32 -15.126 11.421 5.906 1.00 0.00 C ATOM 455 OE1 GLN A 32 -15.634 10.979 6.936 1.00 0.00 O ATOM 456 NE2 GLN A 32 -15.859 11.584 4.825 1.00 0.00 N ATOM 0 H GLN A 32 -11.337 10.403 4.153 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.168 12.047 6.507 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -12.910 9.805 5.423 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.005 10.201 7.128 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.441 12.606 6.513 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.424 12.154 4.820 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -15.436 11.951 3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.850 11.344 4.840 1.00 0.00 H new ATOM 465 N ASP A 33 -10.581 8.814 6.911 1.00 0.00 N ATOM 466 CA ASP A 33 -9.909 7.798 7.718 1.00 0.00 C ATOM 467 C ASP A 33 -9.714 6.576 6.820 1.00 0.00 C ATOM 468 O ASP A 33 -10.319 6.523 5.744 1.00 0.00 O ATOM 469 CB ASP A 33 -10.815 7.481 8.929 1.00 0.00 C ATOM 470 CG ASP A 33 -10.154 6.695 10.067 1.00 0.00 C ATOM 471 OD1 ASP A 33 -9.928 5.475 9.905 1.00 0.00 O ATOM 472 OD2 ASP A 33 -9.964 7.271 11.161 1.00 0.00 O ATOM 0 H ASP A 33 -11.185 8.410 6.196 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.939 8.124 8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.192 8.421 9.333 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.678 6.916 8.576 1.00 0.00 H new ATOM 477 N VAL A 34 -8.923 5.584 7.241 1.00 0.00 N ATOM 478 CA VAL A 34 -8.648 4.352 6.491 1.00 0.00 C ATOM 479 C VAL A 34 -9.929 3.588 6.103 1.00 0.00 C ATOM 480 O VAL A 34 -9.866 2.687 5.277 1.00 0.00 O ATOM 481 CB VAL A 34 -7.616 3.459 7.221 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.175 3.898 6.936 1.00 0.00 C ATOM 483 CG2 VAL A 34 -7.813 3.413 8.733 1.00 0.00 C ATOM 0 H VAL A 34 -8.442 5.616 8.140 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.194 4.654 5.547 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.789 2.460 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.484 3.244 7.468 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.981 3.837 5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.034 4.925 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.055 2.769 9.179 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.721 4.419 9.143 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.803 3.018 8.959 1.00 0.00 H new ATOM 493 N SER A 35 -11.098 3.954 6.640 1.00 0.00 N ATOM 494 CA SER A 35 -12.399 3.365 6.341 1.00 0.00 C ATOM 495 C SER A 35 -12.608 3.337 4.812 1.00 0.00 C ATOM 496 O SER A 35 -13.053 2.335 4.253 1.00 0.00 O ATOM 497 CB SER A 35 -13.445 4.255 7.030 1.00 0.00 C ATOM 498 OG SER A 35 -14.739 3.697 7.064 1.00 0.00 O ATOM 0 H SER A 35 -11.161 4.705 7.327 1.00 0.00 H new ATOM 0 HA SER A 35 -12.479 2.339 6.700 1.00 0.00 H new ATOM 0 HB2 SER A 35 -13.120 4.456 8.051 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.487 5.214 6.514 1.00 0.00 H new ATOM 0 HG SER A 35 -15.350 4.315 7.517 1.00 0.00 H new ATOM 504 N CYS A 36 -12.278 4.436 4.118 1.00 0.00 N ATOM 505 CA CYS A 36 -12.415 4.521 2.669 1.00 0.00 C ATOM 506 C CYS A 36 -11.409 3.610 1.965 1.00 0.00 C ATOM 507 O CYS A 36 -11.732 3.042 0.917 1.00 0.00 O ATOM 508 CB CYS A 36 -12.215 5.966 2.217 1.00 0.00 C ATOM 509 SG CYS A 36 -13.820 6.779 2.100 1.00 0.00 S ATOM 0 H CYS A 36 -11.911 5.284 4.550 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.418 4.189 2.399 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.577 6.496 2.924 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.710 5.991 1.251 1.00 0.00 H new ATOM 0 HG CYS A 36 -13.656 8.011 1.718 1.00 0.00 H new ATOM 515 N ALA A 37 -10.191 3.484 2.502 1.00 0.00 N ATOM 516 CA ALA A 37 -9.176 2.621 1.919 1.00 0.00 C ATOM 517 C ALA A 37 -9.698 1.188 2.020 1.00 0.00 C ATOM 518 O ALA A 37 -9.721 0.489 1.012 1.00 0.00 O ATOM 519 CB ALA A 37 -7.821 2.815 2.612 1.00 0.00 C ATOM 0 H ALA A 37 -9.890 3.974 3.344 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.998 2.869 0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.081 2.157 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.501 3.851 2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.916 2.574 3.671 1.00 0.00 H new ATOM 525 N TRP A 38 -10.167 0.769 3.207 1.00 0.00 N ATOM 526 CA TRP A 38 -10.718 -0.561 3.449 1.00 0.00 C ATOM 527 C TRP A 38 -11.806 -0.865 2.424 1.00 0.00 C ATOM 528 O TRP A 38 -11.753 -1.902 1.768 1.00 0.00 O ATOM 529 CB TRP A 38 -11.338 -0.670 4.854 1.00 0.00 C ATOM 530 CG TRP A 38 -10.404 -0.921 5.992 1.00 0.00 C ATOM 531 CD1 TRP A 38 -10.159 -0.081 7.020 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.638 -2.128 6.271 1.00 0.00 C ATOM 533 NE1 TRP A 38 -9.287 -0.679 7.906 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.927 -1.942 7.490 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.447 -3.347 5.591 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -8.053 -2.916 7.999 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -8.587 -4.339 6.099 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.887 -4.117 7.295 1.00 0.00 C ATOM 0 H TRP A 38 -10.171 1.362 4.037 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.897 -1.273 3.366 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.879 0.254 5.058 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -12.075 -1.473 4.837 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.581 0.907 7.132 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.950 -0.240 8.763 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -9.970 -3.524 4.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -7.516 -2.742 8.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.466 -5.272 5.568 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -7.218 -4.875 7.675 1.00 0.00 H new ATOM 549 N LYS A 39 -12.788 0.028 2.269 1.00 0.00 N ATOM 550 CA LYS A 39 -13.901 -0.142 1.336 1.00 0.00 C ATOM 551 C LYS A 39 -13.430 -0.282 -0.111 1.00 0.00 C ATOM 552 O LYS A 39 -13.912 -1.175 -0.811 1.00 0.00 O ATOM 553 CB LYS A 39 -14.906 1.006 1.513 1.00 0.00 C ATOM 554 CG LYS A 39 -15.645 0.862 2.856 1.00 0.00 C ATOM 555 CD LYS A 39 -16.518 2.077 3.173 1.00 0.00 C ATOM 556 CE LYS A 39 -17.055 1.950 4.602 1.00 0.00 C ATOM 557 NZ LYS A 39 -18.215 2.827 4.847 1.00 0.00 N ATOM 0 H LYS A 39 -12.831 0.900 2.796 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.405 -1.079 1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.386 1.963 1.476 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.623 1.001 0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.267 -0.033 2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.917 0.722 3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.938 2.994 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.344 2.141 2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.340 0.915 4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.262 2.195 5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.542 2.705 5.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.939 3.818 4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.983 2.577 4.192 1.00 0.00 H new ATOM 571 N GLU A 40 -12.495 0.548 -0.565 1.00 0.00 N ATOM 572 CA GLU A 40 -11.987 0.482 -1.935 1.00 0.00 C ATOM 573 C GLU A 40 -11.197 -0.812 -2.140 1.00 0.00 C ATOM 574 O GLU A 40 -11.431 -1.540 -3.105 1.00 0.00 O ATOM 575 CB GLU A 40 -11.189 1.755 -2.223 1.00 0.00 C ATOM 576 CG GLU A 40 -10.733 1.875 -3.687 1.00 0.00 C ATOM 577 CD GLU A 40 -10.505 3.322 -4.148 1.00 0.00 C ATOM 578 OE1 GLU A 40 -10.770 4.277 -3.373 1.00 0.00 O ATOM 579 OE2 GLU A 40 -10.173 3.528 -5.334 1.00 0.00 O ATOM 0 H GLU A 40 -12.069 1.282 0.001 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.801 0.445 -2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.799 2.622 -1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.313 1.780 -1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.809 1.312 -3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.482 1.412 -4.330 1.00 0.00 H new ATOM 586 N LEU A 41 -10.304 -1.147 -1.205 1.00 0.00 N ATOM 587 CA LEU A 41 -9.497 -2.364 -1.252 1.00 0.00 C ATOM 588 C LEU A 41 -10.457 -3.556 -1.299 1.00 0.00 C ATOM 589 O LEU A 41 -10.286 -4.448 -2.116 1.00 0.00 O ATOM 590 CB LEU A 41 -8.544 -2.421 -0.039 1.00 0.00 C ATOM 591 CG LEU A 41 -7.333 -1.470 -0.195 1.00 0.00 C ATOM 592 CD1 LEU A 41 -6.767 -0.989 1.148 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.185 -2.148 -0.956 1.00 0.00 C ATOM 0 H LEU A 41 -10.120 -0.571 -0.384 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.864 -2.384 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.094 -2.159 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.186 -3.442 0.091 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.718 -0.614 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.920 -0.326 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.540 -0.451 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.438 -1.848 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.350 -1.454 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.861 -3.035 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.528 -2.438 -1.949 1.00 0.00 H new ATOM 605 N ASN A 42 -11.521 -3.543 -0.489 1.00 0.00 N ATOM 606 CA ASN A 42 -12.543 -4.594 -0.430 1.00 0.00 C ATOM 607 C ASN A 42 -13.256 -4.783 -1.773 1.00 0.00 C ATOM 608 O ASN A 42 -13.835 -5.839 -1.997 1.00 0.00 O ATOM 609 CB ASN A 42 -13.614 -4.273 0.632 1.00 0.00 C ATOM 610 CG ASN A 42 -13.360 -4.940 1.968 1.00 0.00 C ATOM 611 OD1 ASN A 42 -14.066 -5.865 2.352 1.00 0.00 O ATOM 612 ND2 ASN A 42 -12.400 -4.471 2.740 1.00 0.00 N ATOM 0 H ASN A 42 -11.700 -2.779 0.163 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.013 -5.510 -0.169 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.659 -3.194 0.777 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.589 -4.585 0.259 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.242 -4.878 3.662 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.815 -3.701 2.416 1.00 0.00 H new ATOM 619 N ARG A 43 -13.292 -3.765 -2.642 1.00 0.00 N ATOM 620 CA ARG A 43 -13.936 -3.863 -3.950 1.00 0.00 C ATOM 621 C ARG A 43 -12.981 -4.443 -4.984 1.00 0.00 C ATOM 622 O ARG A 43 -13.439 -5.098 -5.916 1.00 0.00 O ATOM 623 CB ARG A 43 -14.396 -2.475 -4.439 1.00 0.00 C ATOM 624 CG ARG A 43 -15.692 -1.957 -3.809 1.00 0.00 C ATOM 625 CD ARG A 43 -16.927 -2.589 -4.468 1.00 0.00 C ATOM 626 NE ARG A 43 -18.157 -1.902 -4.053 1.00 0.00 N ATOM 627 CZ ARG A 43 -18.657 -0.775 -4.570 1.00 0.00 C ATOM 628 NH1 ARG A 43 -18.090 -0.153 -5.597 1.00 0.00 N ATOM 629 NH2 ARG A 43 -19.746 -0.235 -4.050 1.00 0.00 N ATOM 0 H ARG A 43 -12.875 -2.853 -2.455 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.798 -4.520 -3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.602 -1.756 -4.240 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.527 -2.514 -5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -15.694 -2.179 -2.742 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.739 -0.873 -3.909 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.829 -2.542 -5.553 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.987 -3.644 -4.199 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.684 -2.329 -3.291 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.243 -0.533 -6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -18.501 0.705 -5.964 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -20.205 -0.678 -3.254 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.127 0.625 -4.445 1.00 0.00 H new ATOM 643 N LYS A 44 -11.677 -4.152 -4.909 1.00 0.00 N ATOM 644 CA LYS A 44 -10.708 -4.651 -5.894 1.00 0.00 C ATOM 645 C LYS A 44 -10.018 -5.944 -5.469 1.00 0.00 C ATOM 646 O LYS A 44 -9.382 -6.582 -6.305 1.00 0.00 O ATOM 647 CB LYS A 44 -9.630 -3.596 -6.168 1.00 0.00 C ATOM 648 CG LYS A 44 -10.095 -2.169 -6.496 1.00 0.00 C ATOM 649 CD LYS A 44 -10.986 -2.000 -7.741 1.00 0.00 C ATOM 650 CE LYS A 44 -12.458 -2.292 -7.446 1.00 0.00 C ATOM 651 NZ LYS A 44 -13.322 -2.117 -8.625 1.00 0.00 N ATOM 0 H LYS A 44 -11.267 -3.573 -4.176 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.287 -4.862 -6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.981 -3.545 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.019 -3.949 -6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.638 -1.782 -5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.211 -1.544 -6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.889 -0.982 -8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.636 -2.668 -8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.554 -3.314 -7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.802 -1.633 -6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.307 -2.328 -8.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.255 -1.135 -8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.015 -2.764 -9.379 1.00 0.00 H new ATOM 665 N LEU A 45 -10.109 -6.314 -4.197 1.00 0.00 N ATOM 666 CA LEU A 45 -9.516 -7.503 -3.608 1.00 0.00 C ATOM 667 C LEU A 45 -10.647 -8.370 -3.057 1.00 0.00 C ATOM 668 O LEU A 45 -11.822 -8.001 -3.109 1.00 0.00 O ATOM 669 CB LEU A 45 -8.532 -7.106 -2.483 1.00 0.00 C ATOM 670 CG LEU A 45 -7.393 -6.141 -2.874 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.563 -5.822 -1.627 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.496 -6.764 -3.943 1.00 0.00 C ATOM 0 H LEU A 45 -10.627 -5.761 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.954 -8.060 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.104 -6.650 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.086 -8.016 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.826 -5.227 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.755 -5.140 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.200 -5.355 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.143 -6.744 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.700 -6.066 -4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.059 -7.686 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.088 -6.986 -4.831 1.00 0.00 H new ATOM 684 N SER A 46 -10.299 -9.529 -2.514 1.00 0.00 N ATOM 685 CA SER A 46 -11.220 -10.488 -1.923 1.00 0.00 C ATOM 686 C SER A 46 -11.114 -10.415 -0.399 1.00 0.00 C ATOM 687 O SER A 46 -10.174 -9.814 0.127 1.00 0.00 O ATOM 688 CB SER A 46 -10.887 -11.877 -2.481 1.00 0.00 C ATOM 689 OG SER A 46 -9.492 -12.100 -2.597 1.00 0.00 O ATOM 0 H SER A 46 -9.328 -9.838 -2.472 1.00 0.00 H new ATOM 0 HA SER A 46 -12.256 -10.264 -2.178 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.320 -12.638 -1.832 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.352 -11.992 -3.460 1.00 0.00 H new ATOM 0 HG SER A 46 -9.333 -12.998 -2.955 1.00 0.00 H new ATOM 695 N SER A 47 -12.046 -11.041 0.323 1.00 0.00 N ATOM 696 CA SER A 47 -12.055 -11.052 1.781 1.00 0.00 C ATOM 697 C SER A 47 -10.760 -11.668 2.329 1.00 0.00 C ATOM 698 O SER A 47 -10.222 -11.180 3.325 1.00 0.00 O ATOM 699 CB SER A 47 -13.266 -11.849 2.275 1.00 0.00 C ATOM 700 OG SER A 47 -14.424 -11.624 1.488 1.00 0.00 O ATOM 0 H SER A 47 -12.820 -11.558 -0.094 1.00 0.00 H new ATOM 0 HA SER A 47 -12.121 -10.025 2.141 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.025 -12.912 2.265 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.476 -11.579 3.310 1.00 0.00 H new ATOM 0 HG SER A 47 -15.168 -12.155 1.841 1.00 0.00 H new ATOM 706 N ASN A 48 -10.274 -12.737 1.679 1.00 0.00 N ATOM 707 CA ASN A 48 -9.042 -13.419 2.063 1.00 0.00 C ATOM 708 C ASN A 48 -7.896 -12.426 1.904 1.00 0.00 C ATOM 709 O ASN A 48 -7.255 -12.067 2.888 1.00 0.00 O ATOM 710 CB ASN A 48 -8.782 -14.679 1.210 1.00 0.00 C ATOM 711 CG ASN A 48 -9.438 -15.933 1.772 1.00 0.00 C ATOM 712 OD1 ASN A 48 -9.324 -16.231 2.959 1.00 0.00 O ATOM 713 ND2 ASN A 48 -10.107 -16.716 0.951 1.00 0.00 N ATOM 0 H ASN A 48 -10.733 -13.150 0.867 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.127 -13.758 3.095 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.150 -14.507 0.199 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.707 -14.843 1.134 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.534 -17.575 1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.198 -16.464 -0.033 1.00 0.00 H new ATOM 720 N ALA A 49 -7.685 -11.940 0.675 1.00 0.00 N ATOM 721 CA ALA A 49 -6.635 -10.992 0.334 1.00 0.00 C ATOM 722 C ALA A 49 -6.628 -9.777 1.259 1.00 0.00 C ATOM 723 O ALA A 49 -5.613 -9.474 1.885 1.00 0.00 O ATOM 724 CB ALA A 49 -6.788 -10.549 -1.126 1.00 0.00 C ATOM 0 H ALA A 49 -8.258 -12.206 -0.125 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.679 -11.499 0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.999 -9.839 -1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.714 -11.418 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.760 -10.074 -1.262 1.00 0.00 H new ATOM 730 N VAL A 50 -7.747 -9.069 1.386 1.00 0.00 N ATOM 731 CA VAL A 50 -7.817 -7.879 2.224 1.00 0.00 C ATOM 732 C VAL A 50 -7.481 -8.168 3.697 1.00 0.00 C ATOM 733 O VAL A 50 -6.968 -7.284 4.381 1.00 0.00 O ATOM 734 CB VAL A 50 -9.162 -7.167 1.978 1.00 0.00 C ATOM 735 CG1 VAL A 50 -10.291 -7.635 2.897 1.00 0.00 C ATOM 736 CG2 VAL A 50 -9.003 -5.656 2.116 1.00 0.00 C ATOM 0 H VAL A 50 -8.622 -9.302 0.916 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.034 -7.178 1.936 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.447 -7.433 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.203 -7.087 2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.461 -8.702 2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.015 -7.451 3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.963 -5.171 1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.656 -5.417 3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.276 -5.299 1.387 1.00 0.00 H new ATOM 746 N SER A 51 -7.733 -9.383 4.198 1.00 0.00 N ATOM 747 CA SER A 51 -7.426 -9.738 5.580 1.00 0.00 C ATOM 748 C SER A 51 -5.925 -9.999 5.784 1.00 0.00 C ATOM 749 O SER A 51 -5.474 -10.075 6.924 1.00 0.00 O ATOM 750 CB SER A 51 -8.259 -10.950 6.001 1.00 0.00 C ATOM 751 OG SER A 51 -9.644 -10.636 5.948 1.00 0.00 O ATOM 0 H SER A 51 -8.152 -10.140 3.658 1.00 0.00 H new ATOM 0 HA SER A 51 -7.687 -8.891 6.215 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.045 -11.793 5.345 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.986 -11.255 7.011 1.00 0.00 H new ATOM 0 HG SER A 51 -9.951 -10.667 5.018 1.00 0.00 H new ATOM 757 N GLN A 52 -5.131 -10.160 4.719 1.00 0.00 N ATOM 758 CA GLN A 52 -3.685 -10.396 4.810 1.00 0.00 C ATOM 759 C GLN A 52 -2.986 -9.144 5.341 1.00 0.00 C ATOM 760 O GLN A 52 -1.935 -9.230 5.979 1.00 0.00 O ATOM 761 CB GLN A 52 -3.115 -10.692 3.411 1.00 0.00 C ATOM 762 CG GLN A 52 -3.752 -11.905 2.713 1.00 0.00 C ATOM 763 CD GLN A 52 -3.004 -13.207 2.945 1.00 0.00 C ATOM 764 OE1 GLN A 52 -2.313 -13.400 3.948 1.00 0.00 O ATOM 765 NE2 GLN A 52 -3.130 -14.129 2.011 1.00 0.00 N ATOM 0 H GLN A 52 -5.478 -10.130 3.760 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.516 -11.240 5.479 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.252 -9.812 2.782 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.041 -10.859 3.497 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.777 -12.018 3.065 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.802 -11.711 1.642 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.707 -13.947 1.190 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.651 -15.024 2.110 1.00 0.00 H new ATOM 774 N ILE A 53 -3.576 -7.988 5.046 1.00 0.00 N ATOM 775 CA ILE A 53 -3.113 -6.670 5.405 1.00 0.00 C ATOM 776 C ILE A 53 -3.072 -6.505 6.926 1.00 0.00 C ATOM 777 O ILE A 53 -4.001 -6.900 7.636 1.00 0.00 O ATOM 778 CB ILE A 53 -4.031 -5.620 4.730 1.00 0.00 C ATOM 779 CG1 ILE A 53 -4.145 -5.819 3.199 1.00 0.00 C ATOM 780 CG2 ILE A 53 -3.452 -4.235 5.016 1.00 0.00 C ATOM 781 CD1 ILE A 53 -5.214 -4.941 2.531 1.00 0.00 C ATOM 0 H ILE A 53 -4.446 -7.956 4.515 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.093 -6.522 5.049 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.035 -5.732 5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.178 -5.606 2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.370 -6.866 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.080 -3.475 4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.419 -4.070 6.093 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.443 -4.171 4.608 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.231 -5.140 1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.191 -5.169 2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.980 -3.890 2.701 1.00 0.00 H new ATOM 793 N THR A 54 -2.012 -5.864 7.410 1.00 0.00 N ATOM 794 CA THR A 54 -1.767 -5.564 8.811 1.00 0.00 C ATOM 795 C THR A 54 -1.087 -4.193 8.878 1.00 0.00 C ATOM 796 O THR A 54 -0.617 -3.669 7.864 1.00 0.00 O ATOM 797 CB THR A 54 -0.934 -6.709 9.428 1.00 0.00 C ATOM 798 OG1 THR A 54 -0.759 -6.573 10.825 1.00 0.00 O ATOM 799 CG2 THR A 54 0.462 -6.898 8.836 1.00 0.00 C ATOM 0 H THR A 54 -1.266 -5.524 6.803 1.00 0.00 H new ATOM 0 HA THR A 54 -2.684 -5.505 9.397 1.00 0.00 H new ATOM 0 HB THR A 54 -1.542 -7.580 9.183 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.227 -7.324 11.163 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.961 -7.726 9.339 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.379 -7.117 7.771 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.043 -5.986 8.975 1.00 0.00 H new ATOM 807 N ARG A 55 -1.007 -3.615 10.082 1.00 0.00 N ATOM 808 CA ARG A 55 -0.374 -2.318 10.350 1.00 0.00 C ATOM 809 C ARG A 55 -0.886 -1.187 9.444 1.00 0.00 C ATOM 810 O ARG A 55 -0.114 -0.295 9.087 1.00 0.00 O ATOM 811 CB ARG A 55 1.161 -2.501 10.306 1.00 0.00 C ATOM 812 CG ARG A 55 1.650 -3.487 11.378 1.00 0.00 C ATOM 813 CD ARG A 55 3.150 -3.776 11.273 1.00 0.00 C ATOM 814 NE ARG A 55 3.470 -4.958 12.083 1.00 0.00 N ATOM 815 CZ ARG A 55 4.527 -5.759 11.956 1.00 0.00 C ATOM 816 NH1 ARG A 55 5.609 -5.389 11.286 1.00 0.00 N ATOM 817 NH2 ARG A 55 4.498 -6.963 12.504 1.00 0.00 N ATOM 0 H ARG A 55 -1.392 -4.049 10.921 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.659 -1.986 11.348 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.456 -2.861 9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.646 -1.536 10.452 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.430 -3.082 12.366 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.097 -4.422 11.286 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.428 -3.947 10.233 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.724 -2.916 11.619 1.00 0.00 H new ATOM 0 HE ARG A 55 2.810 -5.192 12.825 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.649 -4.468 10.850 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.402 -6.025 11.207 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.672 -7.270 13.018 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.302 -7.584 12.413 1.00 0.00 H new ATOM 831 N MET A 56 -2.163 -1.222 9.040 1.00 0.00 N ATOM 832 CA MET A 56 -2.742 -0.184 8.196 1.00 0.00 C ATOM 833 C MET A 56 -2.710 1.121 8.989 1.00 0.00 C ATOM 834 O MET A 56 -3.329 1.196 10.054 1.00 0.00 O ATOM 835 CB MET A 56 -4.150 -0.580 7.734 1.00 0.00 C ATOM 836 CG MET A 56 -4.608 0.265 6.546 1.00 0.00 C ATOM 837 SD MET A 56 -6.401 0.184 6.380 1.00 0.00 S ATOM 838 CE MET A 56 -6.573 -0.151 4.616 1.00 0.00 C ATOM 0 H MET A 56 -2.814 -1.967 9.290 1.00 0.00 H new ATOM 0 HA MET A 56 -2.167 -0.051 7.279 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.160 -1.634 7.457 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.852 -0.460 8.559 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.295 1.300 6.684 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.134 -0.092 5.632 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.630 -0.228 4.362 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.121 0.660 4.046 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.072 -1.088 4.373 1.00 0.00 H new ATOM 848 N CYS A 57 -1.962 2.112 8.498 1.00 0.00 N ATOM 849 CA CYS A 57 -1.793 3.407 9.138 1.00 0.00 C ATOM 850 C CYS A 57 -2.079 4.587 8.203 1.00 0.00 C ATOM 851 O CYS A 57 -1.816 4.515 6.999 1.00 0.00 O ATOM 852 CB CYS A 57 -0.338 3.451 9.628 1.00 0.00 C ATOM 853 SG CYS A 57 -0.041 4.765 10.836 1.00 0.00 S ATOM 0 H CYS A 57 -1.446 2.028 7.622 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.511 3.509 9.952 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.081 2.490 10.073 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.324 3.594 8.774 1.00 0.00 H new ATOM 0 HG CYS A 57 1.205 4.741 11.206 1.00 0.00 H new ATOM 859 N LEU A 58 -2.593 5.681 8.781 1.00 0.00 N ATOM 860 CA LEU A 58 -2.888 6.930 8.084 1.00 0.00 C ATOM 861 C LEU A 58 -1.571 7.707 8.050 1.00 0.00 C ATOM 862 O LEU A 58 -1.054 8.088 9.112 1.00 0.00 O ATOM 863 CB LEU A 58 -3.930 7.797 8.823 1.00 0.00 C ATOM 864 CG LEU A 58 -5.411 7.461 8.592 1.00 0.00 C ATOM 865 CD1 LEU A 58 -6.267 8.315 9.535 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.861 7.744 7.152 1.00 0.00 C ATOM 0 H LEU A 58 -2.820 5.718 9.775 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.297 6.704 7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.730 7.728 9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.770 8.836 8.536 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.536 6.395 8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.321 8.084 9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.997 8.098 10.568 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.093 9.371 9.329 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.915 7.489 7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.718 8.801 6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.269 7.143 6.461 1.00 0.00 H new ATOM 878 N LEU A 59 -0.979 7.860 6.867 1.00 0.00 N ATOM 879 CA LEU A 59 0.259 8.605 6.682 1.00 0.00 C ATOM 880 C LEU A 59 -0.015 10.094 6.916 1.00 0.00 C ATOM 881 O LEU A 59 -1.153 10.557 6.792 1.00 0.00 O ATOM 882 CB LEU A 59 0.813 8.403 5.265 1.00 0.00 C ATOM 883 CG LEU A 59 1.254 6.971 4.934 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.725 6.926 3.483 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.379 6.495 5.854 1.00 0.00 C ATOM 0 H LEU A 59 -1.351 7.465 6.003 1.00 0.00 H new ATOM 0 HA LEU A 59 0.999 8.241 7.395 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.051 8.706 4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.664 9.069 5.127 1.00 0.00 H new ATOM 0 HG LEU A 59 0.404 6.306 5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.042 5.913 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.907 7.222 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.563 7.611 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.662 5.477 5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.242 7.152 5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.037 6.516 6.889 1.00 0.00 H new ATOM 897 N LYS A 60 1.048 10.837 7.226 1.00 0.00 N ATOM 898 CA LYS A 60 1.017 12.269 7.501 1.00 0.00 C ATOM 899 C LYS A 60 0.390 13.069 6.366 1.00 0.00 C ATOM 900 O LYS A 60 0.912 13.025 5.251 1.00 0.00 O ATOM 901 CB LYS A 60 2.448 12.783 7.686 1.00 0.00 C ATOM 902 CG LYS A 60 3.098 12.391 9.009 1.00 0.00 C ATOM 903 CD LYS A 60 4.385 13.202 9.146 1.00 0.00 C ATOM 904 CE LYS A 60 5.176 12.793 10.380 1.00 0.00 C ATOM 905 NZ LYS A 60 6.464 13.502 10.419 1.00 0.00 N ATOM 0 H LYS A 60 1.986 10.442 7.294 1.00 0.00 H new ATOM 0 HA LYS A 60 0.415 12.403 8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.063 12.407 6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.443 13.870 7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.425 12.595 9.842 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.314 11.323 9.028 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.000 13.063 8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.143 14.263 9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.602 13.018 11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.346 11.716 10.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.994 13.213 11.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.016 13.267 9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.295 14.528 10.449 1.00 0.00 H new ATOM 919 N GLY A 61 -0.675 13.818 6.646 1.00 0.00 N ATOM 920 CA GLY A 61 -1.342 14.661 5.662 1.00 0.00 C ATOM 921 C GLY A 61 -2.572 14.055 5.002 1.00 0.00 C ATOM 922 O GLY A 61 -3.107 14.700 4.106 1.00 0.00 O ATOM 0 H GLY A 61 -1.101 13.855 7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.634 15.593 6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.624 14.918 4.884 1.00 0.00 H new ATOM 926 N ASN A 62 -3.025 12.857 5.408 1.00 0.00 N ATOM 927 CA ASN A 62 -4.203 12.186 4.845 1.00 0.00 C ATOM 928 C ASN A 62 -4.185 12.208 3.310 1.00 0.00 C ATOM 929 O ASN A 62 -5.216 12.445 2.680 1.00 0.00 O ATOM 930 CB ASN A 62 -5.498 12.742 5.477 1.00 0.00 C ATOM 931 CG ASN A 62 -5.805 12.072 6.810 1.00 0.00 C ATOM 932 OD1 ASN A 62 -4.925 11.841 7.634 1.00 0.00 O ATOM 933 ND2 ASN A 62 -7.058 11.738 7.060 1.00 0.00 N ATOM 0 H ASN A 62 -2.574 12.321 6.149 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.172 11.129 5.108 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.399 13.817 5.624 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.332 12.590 4.792 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.299 11.285 7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.785 11.933 6.371 1.00 0.00 H new ATOM 940 N MET A 63 -3.025 11.936 2.700 1.00 0.00 N ATOM 941 CA MET A 63 -2.781 11.923 1.253 1.00 0.00 C ATOM 942 C MET A 63 -2.339 10.544 0.726 1.00 0.00 C ATOM 943 O MET A 63 -1.809 10.432 -0.383 1.00 0.00 O ATOM 944 CB MET A 63 -1.813 13.073 0.919 1.00 0.00 C ATOM 945 CG MET A 63 -2.581 14.391 0.739 1.00 0.00 C ATOM 946 SD MET A 63 -2.990 14.848 -0.976 1.00 0.00 S ATOM 947 CE MET A 63 -3.581 13.292 -1.689 1.00 0.00 C ATOM 0 H MET A 63 -2.186 11.707 3.232 1.00 0.00 H new ATOM 0 HA MET A 63 -3.716 12.097 0.720 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.078 13.180 1.717 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.263 12.839 0.008 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.508 14.329 1.309 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.991 15.195 1.178 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.824 13.443 -2.741 1.00 0.00 H new ATOM 0 HE2 MET A 63 -2.803 12.533 -1.602 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.472 12.962 -1.154 1.00 0.00 H new ATOM 957 N GLY A 64 -2.500 9.490 1.522 1.00 0.00 N ATOM 958 CA GLY A 64 -2.142 8.122 1.182 1.00 0.00 C ATOM 959 C GLY A 64 -2.099 7.281 2.447 1.00 0.00 C ATOM 960 O GLY A 64 -2.128 7.830 3.556 1.00 0.00 O ATOM 0 H GLY A 64 -2.899 9.572 2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.868 7.708 0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.172 8.101 0.685 1.00 0.00 H new ATOM 964 N VAL A 65 -2.025 5.962 2.302 1.00 0.00 N ATOM 965 CA VAL A 65 -1.992 5.012 3.407 1.00 0.00 C ATOM 966 C VAL A 65 -0.890 3.979 3.166 1.00 0.00 C ATOM 967 O VAL A 65 -0.431 3.778 2.039 1.00 0.00 O ATOM 968 CB VAL A 65 -3.381 4.348 3.582 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.476 5.382 3.885 1.00 0.00 C ATOM 970 CG2 VAL A 65 -3.825 3.515 2.369 1.00 0.00 C ATOM 0 H VAL A 65 -1.985 5.513 1.387 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.762 5.535 4.335 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.254 3.675 4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.434 4.875 4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.232 5.911 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.540 6.095 3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.806 3.081 2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.880 4.155 1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.104 2.717 2.192 1.00 0.00 H new ATOM 980 N CYS A 66 -0.466 3.307 4.234 1.00 0.00 N ATOM 981 CA CYS A 66 0.560 2.278 4.176 1.00 0.00 C ATOM 982 C CYS A 66 0.108 1.091 5.010 1.00 0.00 C ATOM 983 O CYS A 66 -0.680 1.266 5.947 1.00 0.00 O ATOM 984 CB CYS A 66 1.884 2.816 4.729 1.00 0.00 C ATOM 985 SG CYS A 66 1.695 3.245 6.487 1.00 0.00 S ATOM 0 H CYS A 66 -0.832 3.466 5.173 1.00 0.00 H new ATOM 0 HA CYS A 66 0.712 1.975 3.140 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.668 2.068 4.611 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.194 3.694 4.163 1.00 0.00 H new ATOM 0 HG CYS A 66 0.716 2.560 6.998 1.00 0.00 H new ATOM 991 N PHE A 67 0.648 -0.084 4.717 1.00 0.00 N ATOM 992 CA PHE A 67 0.352 -1.312 5.427 1.00 0.00 C ATOM 993 C PHE A 67 1.427 -2.350 5.106 1.00 0.00 C ATOM 994 O PHE A 67 2.284 -2.121 4.252 1.00 0.00 O ATOM 995 CB PHE A 67 -1.063 -1.798 5.089 1.00 0.00 C ATOM 996 CG PHE A 67 -1.443 -1.924 3.624 1.00 0.00 C ATOM 997 CD1 PHE A 67 -0.953 -2.990 2.844 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.369 -1.021 3.065 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.403 -3.163 1.523 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -2.822 -1.197 1.745 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.347 -2.274 0.980 1.00 0.00 C ATOM 0 H PHE A 67 1.320 -0.208 3.960 1.00 0.00 H new ATOM 0 HA PHE A 67 0.369 -1.138 6.503 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.201 -2.774 5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.771 -1.117 5.560 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.230 -3.676 3.261 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.732 -0.191 3.652 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.023 -3.979 0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.534 -0.505 1.321 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.707 -2.420 -0.028 1.00 0.00 H new ATOM 1011 N ASP A 68 1.376 -3.488 5.790 1.00 0.00 N ATOM 1012 CA ASP A 68 2.295 -4.611 5.650 1.00 0.00 C ATOM 1013 C ASP A 68 1.499 -5.805 5.121 1.00 0.00 C ATOM 1014 O ASP A 68 0.325 -5.969 5.467 1.00 0.00 O ATOM 1015 CB ASP A 68 2.907 -4.959 7.020 1.00 0.00 C ATOM 1016 CG ASP A 68 4.221 -4.246 7.336 1.00 0.00 C ATOM 1017 OD1 ASP A 68 4.194 -3.042 7.679 1.00 0.00 O ATOM 1018 OD2 ASP A 68 5.280 -4.916 7.372 1.00 0.00 O ATOM 0 H ASP A 68 0.656 -3.660 6.492 1.00 0.00 H new ATOM 0 HA ASP A 68 3.103 -4.358 4.964 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.183 -4.717 7.798 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.074 -6.035 7.064 1.00 0.00 H new ATOM 1023 N VAL A 69 2.139 -6.649 4.311 1.00 0.00 N ATOM 1024 CA VAL A 69 1.599 -7.862 3.693 1.00 0.00 C ATOM 1025 C VAL A 69 2.736 -8.893 3.565 1.00 0.00 C ATOM 1026 O VAL A 69 3.909 -8.509 3.536 1.00 0.00 O ATOM 1027 CB VAL A 69 0.956 -7.564 2.310 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.410 -6.879 2.458 1.00 0.00 C ATOM 1029 CG2 VAL A 69 1.845 -6.707 1.393 1.00 0.00 C ATOM 0 H VAL A 69 3.113 -6.494 4.052 1.00 0.00 H new ATOM 0 HA VAL A 69 0.806 -8.263 4.324 1.00 0.00 H new ATOM 0 HB VAL A 69 0.833 -8.540 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.829 -6.686 1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.084 -7.528 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.288 -5.936 2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.334 -6.538 0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.046 -5.749 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.786 -7.226 1.210 1.00 0.00 H new ATOM 1039 N PRO A 70 2.444 -10.202 3.499 1.00 0.00 N ATOM 1040 CA PRO A 70 3.492 -11.209 3.364 1.00 0.00 C ATOM 1041 C PRO A 70 4.071 -11.152 1.941 1.00 0.00 C ATOM 1042 O PRO A 70 3.339 -10.913 0.974 1.00 0.00 O ATOM 1043 CB PRO A 70 2.796 -12.536 3.666 1.00 0.00 C ATOM 1044 CG PRO A 70 1.369 -12.297 3.187 1.00 0.00 C ATOM 1045 CD PRO A 70 1.129 -10.829 3.536 1.00 0.00 C ATOM 0 HA PRO A 70 4.336 -11.059 4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.265 -13.366 3.137 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.829 -12.776 4.729 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.267 -12.479 2.117 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.659 -12.953 3.691 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.451 -10.361 2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.674 -10.729 4.521 1.00 0.00 H new ATOM 1053 N THR A 71 5.374 -11.409 1.783 1.00 0.00 N ATOM 1054 CA THR A 71 6.050 -11.389 0.483 1.00 0.00 C ATOM 1055 C THR A 71 5.502 -12.468 -0.472 1.00 0.00 C ATOM 1056 O THR A 71 5.763 -12.429 -1.677 1.00 0.00 O ATOM 1057 CB THR A 71 7.565 -11.560 0.690 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.819 -12.540 1.676 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.225 -10.256 1.132 1.00 0.00 C ATOM 0 H THR A 71 5.993 -11.638 2.560 1.00 0.00 H new ATOM 0 HA THR A 71 5.854 -10.425 0.013 1.00 0.00 H new ATOM 0 HB THR A 71 7.984 -11.866 -0.269 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.786 -12.640 1.796 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.294 -10.417 1.268 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.067 -9.492 0.371 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.785 -9.927 2.073 1.00 0.00 H new ATOM 1067 N THR A 72 4.763 -13.459 0.037 1.00 0.00 N ATOM 1068 CA THR A 72 4.169 -14.517 -0.771 1.00 0.00 C ATOM 1069 C THR A 72 2.861 -14.045 -1.417 1.00 0.00 C ATOM 1070 O THR A 72 2.394 -14.690 -2.356 1.00 0.00 O ATOM 1071 CB THR A 72 3.947 -15.746 0.126 1.00 0.00 C ATOM 1072 OG1 THR A 72 3.787 -16.922 -0.645 1.00 0.00 O ATOM 1073 CG2 THR A 72 2.746 -15.615 1.061 1.00 0.00 C ATOM 0 H THR A 72 4.561 -13.546 1.033 1.00 0.00 H new ATOM 0 HA THR A 72 4.841 -14.784 -1.587 1.00 0.00 H new ATOM 0 HB THR A 72 4.845 -15.810 0.740 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.649 -17.688 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.653 -16.519 1.662 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.888 -14.756 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.840 -15.476 0.472 1.00 0.00 H new ATOM 1081 N GLU A 73 2.272 -12.942 -0.943 1.00 0.00 N ATOM 1082 CA GLU A 73 1.017 -12.415 -1.459 1.00 0.00 C ATOM 1083 C GLU A 73 1.215 -11.065 -2.145 1.00 0.00 C ATOM 1084 O GLU A 73 0.407 -10.703 -2.994 1.00 0.00 O ATOM 1085 CB GLU A 73 0.018 -12.316 -0.299 1.00 0.00 C ATOM 1086 CG GLU A 73 -1.443 -12.287 -0.754 1.00 0.00 C ATOM 1087 CD GLU A 73 -1.966 -13.608 -1.329 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -1.562 -14.697 -0.861 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -2.900 -13.555 -2.167 1.00 0.00 O ATOM 0 H GLU A 73 2.663 -12.388 -0.181 1.00 0.00 H new ATOM 0 HA GLU A 73 0.625 -13.090 -2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.165 -13.163 0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.229 -11.415 0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.067 -12.004 0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.558 -11.508 -1.508 1.00 0.00 H new ATOM 1096 N SER A 74 2.298 -10.333 -1.859 1.00 0.00 N ATOM 1097 CA SER A 74 2.532 -9.045 -2.494 1.00 0.00 C ATOM 1098 C SER A 74 2.618 -9.184 -4.020 1.00 0.00 C ATOM 1099 O SER A 74 2.308 -8.242 -4.744 1.00 0.00 O ATOM 1100 CB SER A 74 3.779 -8.394 -1.907 1.00 0.00 C ATOM 1101 OG SER A 74 4.920 -9.212 -2.056 1.00 0.00 O ATOM 0 H SER A 74 3.019 -10.615 -1.195 1.00 0.00 H new ATOM 0 HA SER A 74 1.684 -8.392 -2.288 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.953 -7.436 -2.397 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.617 -8.187 -0.849 1.00 0.00 H new ATOM 0 HG SER A 74 5.728 -8.664 -1.974 1.00 0.00 H new ATOM 1107 N GLU A 75 3.070 -10.332 -4.535 1.00 0.00 N ATOM 1108 CA GLU A 75 3.161 -10.576 -5.973 1.00 0.00 C ATOM 1109 C GLU A 75 1.743 -10.680 -6.550 1.00 0.00 C ATOM 1110 O GLU A 75 1.436 -10.078 -7.580 1.00 0.00 O ATOM 1111 CB GLU A 75 4.038 -11.804 -6.265 1.00 0.00 C ATOM 1112 CG GLU A 75 3.615 -13.129 -5.611 1.00 0.00 C ATOM 1113 CD GLU A 75 4.562 -14.264 -6.009 1.00 0.00 C ATOM 1114 OE1 GLU A 75 4.774 -14.465 -7.230 1.00 0.00 O ATOM 1115 OE2 GLU A 75 5.067 -14.967 -5.102 1.00 0.00 O ATOM 0 H GLU A 75 3.383 -11.117 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 75 3.656 -9.742 -6.471 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.067 -11.952 -7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.056 -11.578 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.610 -13.018 -4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.597 -13.378 -5.911 1.00 0.00 H new ATOM 1122 N ARG A 76 0.857 -11.421 -5.879 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.532 -11.596 -6.282 1.00 0.00 C ATOM 1124 C ARG A 76 -1.246 -10.248 -6.248 1.00 0.00 C ATOM 1125 O ARG A 76 -2.050 -9.970 -7.134 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.226 -12.569 -5.306 1.00 0.00 C ATOM 1127 CG ARG A 76 -0.990 -14.059 -5.612 1.00 0.00 C ATOM 1128 CD ARG A 76 -2.147 -14.577 -6.469 1.00 0.00 C ATOM 1129 NE ARG A 76 -2.147 -16.032 -6.639 1.00 0.00 N ATOM 1130 CZ ARG A 76 -3.124 -16.744 -7.211 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -4.169 -16.133 -7.763 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -3.040 -18.069 -7.229 1.00 0.00 N ATOM 0 H ARG A 76 1.095 -11.924 -5.024 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.571 -12.001 -7.293 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.877 -12.359 -4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.298 -12.374 -5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.044 -14.191 -6.136 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.923 -14.628 -4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.090 -14.273 -6.014 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.100 -14.105 -7.450 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.336 -16.544 -6.293 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.229 -15.115 -7.752 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.910 -16.683 -8.197 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.236 -18.535 -6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.780 -18.621 -7.663 1.00 0.00 H new ATOM 1146 N LEU A 77 -0.934 -9.414 -5.257 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.526 -8.104 -5.041 1.00 0.00 C ATOM 1148 C LEU A 77 -1.164 -7.123 -6.126 1.00 0.00 C ATOM 1149 O LEU A 77 -2.024 -6.344 -6.534 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.099 -7.540 -3.681 1.00 0.00 C ATOM 1151 CG LEU A 77 -2.009 -8.058 -2.563 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.327 -7.809 -1.217 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.371 -7.358 -2.617 1.00 0.00 C ATOM 0 H LEU A 77 -0.231 -9.647 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.607 -8.242 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.066 -7.821 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.133 -6.451 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.178 -9.127 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.966 -8.174 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.373 -8.335 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.156 -6.740 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.007 -7.737 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.233 -6.284 -2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.843 -7.555 -3.579 1.00 0.00 H new ATOM 1165 N GLN A 78 0.085 -7.150 -6.587 1.00 0.00 N ATOM 1166 CA GLN A 78 0.525 -6.265 -7.650 1.00 0.00 C ATOM 1167 C GLN A 78 -0.359 -6.498 -8.882 1.00 0.00 C ATOM 1168 O GLN A 78 -0.747 -5.538 -9.548 1.00 0.00 O ATOM 1169 CB GLN A 78 2.009 -6.517 -7.947 1.00 0.00 C ATOM 1170 CG GLN A 78 2.934 -5.723 -7.009 1.00 0.00 C ATOM 1171 CD GLN A 78 4.286 -5.444 -7.663 1.00 0.00 C ATOM 1172 OE1 GLN A 78 4.380 -4.625 -8.573 1.00 0.00 O ATOM 1173 NE2 GLN A 78 5.356 -6.107 -7.262 1.00 0.00 N ATOM 0 H GLN A 78 0.808 -7.779 -6.236 1.00 0.00 H new ATOM 0 HA GLN A 78 0.426 -5.221 -7.352 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.222 -7.581 -7.848 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.222 -6.244 -8.981 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.458 -4.781 -6.738 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.084 -6.281 -6.085 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.281 -6.788 -6.506 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.258 -5.938 -7.708 1.00 0.00 H new ATOM 1182 N ALA A 79 -0.718 -7.758 -9.147 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.560 -8.131 -10.273 1.00 0.00 C ATOM 1184 C ALA A 79 -3.052 -7.874 -10.010 1.00 0.00 C ATOM 1185 O ALA A 79 -3.819 -7.747 -10.966 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.328 -9.613 -10.572 1.00 0.00 C ATOM 0 H ALA A 79 -0.426 -8.551 -8.576 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.286 -7.510 -11.126 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.950 -9.916 -11.414 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.279 -9.774 -10.819 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.590 -10.206 -9.696 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.484 -7.806 -8.747 1.00 0.00 N ATOM 1193 CA GLU A 80 -4.884 -7.575 -8.391 1.00 0.00 C ATOM 1194 C GLU A 80 -5.250 -6.092 -8.298 1.00 0.00 C ATOM 1195 O GLU A 80 -6.444 -5.785 -8.297 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.264 -8.351 -7.110 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.364 -9.837 -7.472 1.00 0.00 C ATOM 1198 CD GLU A 80 -5.930 -10.777 -6.409 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -5.170 -11.280 -5.544 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -7.078 -11.256 -6.590 1.00 0.00 O ATOM 0 H GLU A 80 -2.868 -7.910 -7.941 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.484 -7.968 -9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.514 -8.197 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.213 -7.990 -6.713 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.982 -9.926 -8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.367 -10.188 -7.737 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.271 -5.180 -8.243 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.573 -3.758 -8.170 1.00 0.00 C ATOM 1209 C TRP A 81 -4.916 -3.248 -9.563 1.00 0.00 C ATOM 1210 O TRP A 81 -4.032 -3.037 -10.401 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.476 -2.927 -7.506 1.00 0.00 C ATOM 1212 CG TRP A 81 -4.025 -1.628 -7.006 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.758 -0.392 -7.481 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.081 -1.456 -6.021 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.566 0.533 -6.846 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.439 -0.077 -5.958 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -5.818 -2.361 -5.229 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.490 0.373 -5.136 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -6.886 -1.925 -4.434 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -7.220 -0.564 -4.380 1.00 0.00 C ATOM 0 H TRP A 81 -3.276 -5.405 -8.248 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.436 -3.637 -7.516 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.040 -3.486 -6.678 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.674 -2.738 -8.220 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -3.026 -0.162 -8.240 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.525 1.539 -7.010 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -5.554 -3.408 -5.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.733 1.424 -5.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.455 -2.641 -3.860 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -8.039 -0.234 -3.757 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.209 -3.064 -9.800 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.797 -2.603 -11.045 1.00 0.00 C ATOM 1233 C HIS A 82 -7.994 -1.694 -10.755 1.00 0.00 C ATOM 1234 O HIS A 82 -8.457 -1.612 -9.610 1.00 0.00 O ATOM 1235 CB HIS A 82 -7.256 -3.846 -11.835 1.00 0.00 C ATOM 1236 CG HIS A 82 -8.287 -4.726 -11.148 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -9.103 -4.372 -10.094 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -8.603 -6.012 -11.492 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -9.888 -5.419 -9.802 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -9.614 -6.451 -10.624 1.00 0.00 N ATOM 0 H HIS A 82 -6.913 -3.244 -9.085 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.069 -2.032 -11.622 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.667 -3.515 -12.789 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.380 -4.454 -12.059 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -9.108 -3.470 -9.619 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -8.154 -6.586 -12.289 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.633 -5.433 -9.020 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.539 -1.095 -11.811 1.00 0.00 N ATOM 1249 CA ASP A 83 -9.711 -0.215 -11.842 1.00 0.00 C ATOM 1250 C ASP A 83 -9.785 0.768 -10.661 1.00 0.00 C ATOM 1251 O ASP A 83 -10.844 0.947 -10.050 1.00 0.00 O ATOM 1252 CB ASP A 83 -10.980 -1.084 -11.977 1.00 0.00 C ATOM 1253 CG ASP A 83 -11.236 -1.630 -13.383 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -10.286 -1.864 -14.165 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -12.430 -1.852 -13.692 1.00 0.00 O ATOM 0 H ASP A 83 -8.143 -1.221 -12.743 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.623 0.435 -12.712 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.905 -1.923 -11.285 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.843 -0.493 -11.669 1.00 0.00 H new ATOM 1260 N SER A 84 -8.667 1.410 -10.322 1.00 0.00 N ATOM 1261 CA SER A 84 -8.562 2.369 -9.226 1.00 0.00 C ATOM 1262 C SER A 84 -7.676 3.548 -9.625 1.00 0.00 C ATOM 1263 O SER A 84 -6.674 3.376 -10.323 1.00 0.00 O ATOM 1264 CB SER A 84 -7.981 1.667 -7.995 1.00 0.00 C ATOM 1265 OG SER A 84 -8.726 0.508 -7.705 1.00 0.00 O ATOM 0 H SER A 84 -7.786 1.272 -10.817 1.00 0.00 H new ATOM 0 HA SER A 84 -9.555 2.753 -8.993 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.939 1.404 -8.174 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.996 2.343 -7.140 1.00 0.00 H new ATOM 0 HG SER A 84 -8.539 -0.178 -8.379 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.028 4.739 -9.139 1.00 0.00 N ATOM 1272 CA ASP A 85 -7.302 5.989 -9.404 1.00 0.00 C ATOM 1273 C ASP A 85 -6.053 6.118 -8.511 1.00 0.00 C ATOM 1274 O ASP A 85 -5.291 7.072 -8.661 1.00 0.00 O ATOM 1275 CB ASP A 85 -8.249 7.198 -9.230 1.00 0.00 C ATOM 1276 CG ASP A 85 -8.966 7.579 -10.530 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -9.501 6.693 -11.232 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -9.019 8.784 -10.877 1.00 0.00 O ATOM 0 H ASP A 85 -8.842 4.868 -8.538 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.952 5.971 -10.436 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.990 6.967 -8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.677 8.054 -8.871 1.00 0.00 H new ATOM 1283 N TRP A 86 -5.856 5.195 -7.561 1.00 0.00 N ATOM 1284 CA TRP A 86 -4.716 5.158 -6.649 1.00 0.00 C ATOM 1285 C TRP A 86 -3.643 4.257 -7.261 1.00 0.00 C ATOM 1286 O TRP A 86 -3.980 3.238 -7.875 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.079 4.506 -5.305 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.193 5.042 -4.457 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -7.495 5.097 -4.813 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -6.168 5.369 -3.029 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -8.263 5.431 -3.720 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -7.506 5.561 -2.580 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -5.158 5.464 -2.051 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -7.826 5.781 -1.230 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -5.459 5.712 -0.700 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -6.790 5.863 -0.283 1.00 0.00 C ATOM 0 H TRP A 86 -6.511 4.429 -7.405 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.388 6.186 -6.492 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -5.310 3.461 -5.511 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.178 4.518 -4.692 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -7.876 4.908 -5.806 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.274 5.566 -3.752 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -4.126 5.343 -2.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -8.856 5.886 -0.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -4.659 5.787 0.022 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -7.017 6.041 0.758 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.371 4.563 -7.023 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.231 3.799 -7.517 1.00 0.00 C ATOM 1309 C ILE A 87 -0.710 2.955 -6.360 1.00 0.00 C ATOM 1310 O ILE A 87 -0.638 3.417 -5.216 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.134 4.738 -8.080 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -0.623 5.484 -9.341 1.00 0.00 C ATOM 1313 CG2 ILE A 87 1.146 3.966 -8.450 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -1.284 6.825 -9.027 1.00 0.00 C ATOM 0 H ILE A 87 -2.098 5.372 -6.465 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.532 3.153 -8.342 1.00 0.00 H new ATOM 0 HB ILE A 87 0.087 5.452 -7.287 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.223 5.650 -10.008 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.332 4.853 -9.877 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.890 4.661 -8.841 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.542 3.471 -7.563 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.914 3.219 -9.209 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.605 7.298 -9.955 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.149 6.663 -8.384 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.570 7.472 -8.518 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.309 1.721 -6.663 1.00 0.00 N ATOM 1327 CA LEU A 88 0.236 0.766 -5.713 1.00 0.00 C ATOM 1328 C LEU A 88 1.748 0.787 -5.899 1.00 0.00 C ATOM 1329 O LEU A 88 2.229 0.779 -7.035 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.337 -0.629 -6.012 1.00 0.00 C ATOM 1331 CG LEU A 88 0.211 -1.736 -5.092 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.236 -1.512 -3.646 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.300 -3.101 -5.554 1.00 0.00 C ATOM 0 H LEU A 88 -0.359 1.351 -7.612 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.023 1.017 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.422 -0.594 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.117 -0.888 -7.048 1.00 0.00 H new ATOM 0 HG LEU A 88 1.299 -1.705 -5.143 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.163 -2.306 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.135 -0.549 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.325 -1.521 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.093 -3.878 -4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.389 -3.113 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.032 -3.287 -6.575 1.00 0.00 H new ATOM 1345 N SER A 89 2.496 0.885 -4.800 1.00 0.00 N ATOM 1346 CA SER A 89 3.951 0.908 -4.840 1.00 0.00 C ATOM 1347 C SER A 89 4.522 0.062 -3.703 1.00 0.00 C ATOM 1348 O SER A 89 3.937 0.025 -2.614 1.00 0.00 O ATOM 1349 CB SER A 89 4.458 2.346 -4.677 1.00 0.00 C ATOM 1350 OG SER A 89 3.750 3.318 -5.426 1.00 0.00 O ATOM 0 H SER A 89 2.107 0.950 -3.859 1.00 0.00 H new ATOM 0 HA SER A 89 4.274 0.505 -5.800 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.409 2.615 -3.622 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.508 2.380 -4.966 1.00 0.00 H new ATOM 0 HG SER A 89 4.137 4.203 -5.262 1.00 0.00 H new ATOM 1356 N VAL A 90 5.699 -0.529 -3.925 1.00 0.00 N ATOM 1357 CA VAL A 90 6.413 -1.346 -2.950 1.00 0.00 C ATOM 1358 C VAL A 90 7.804 -0.719 -2.753 1.00 0.00 C ATOM 1359 O VAL A 90 8.731 -1.015 -3.512 1.00 0.00 O ATOM 1360 CB VAL A 90 6.402 -2.851 -3.307 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.716 -3.197 -4.765 1.00 0.00 C ATOM 1362 CG2 VAL A 90 7.331 -3.644 -2.377 1.00 0.00 C ATOM 0 H VAL A 90 6.192 -0.448 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 90 5.904 -1.339 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 90 5.363 -3.144 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.680 -4.278 -4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.980 -2.726 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.712 -2.833 -5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.305 -4.699 -2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.350 -3.269 -2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.999 -3.527 -1.345 1.00 0.00 H new ATOM 1372 N PRO A 91 7.951 0.223 -1.805 1.00 0.00 N ATOM 1373 CA PRO A 91 9.220 0.873 -1.505 1.00 0.00 C ATOM 1374 C PRO A 91 10.070 -0.055 -0.616 1.00 0.00 C ATOM 1375 O PRO A 91 9.842 -1.270 -0.559 1.00 0.00 O ATOM 1376 CB PRO A 91 8.816 2.164 -0.786 1.00 0.00 C ATOM 1377 CG PRO A 91 7.619 1.704 0.031 1.00 0.00 C ATOM 1378 CD PRO A 91 6.935 0.678 -0.869 1.00 0.00 C ATOM 0 HA PRO A 91 9.829 1.088 -2.383 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.618 2.549 -0.156 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.553 2.957 -1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.928 1.262 0.978 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.954 2.534 0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.543 -0.154 -0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.091 1.123 -1.396 1.00 0.00 H new