USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 523 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 25 HIS : no HD1:sc= -6.96! C(o=-13!,f=-16!) USER MOD Set 1.2: A 57 CYS SG : rot 60:sc= -0.628 USER MOD Set 1.3: A 60 CYS SG : rot -43:sc= -1.81 USER MOD Set 1.4: A 79 CYS SG : rot 97:sc= -3.34! USER MOD Set 2.1: A 38 CYS SG : rot -132:sc= -1.12 USER MOD Set 2.2: A 41 CYS SG : rot 177:sc= -0.84 USER MOD Set 2.3: A 65 HIS : no HE2:sc= -9.58! C(o=-22!,f=-15!) USER MOD Set 2.4: A 68 HIS : no HD1:sc= -10.5! C(o=-22!,f=-20!) USER MOD Set 3.1: A 22 HIS : no HD1:sc= -5.32! C(o=-13!,f=-13!) USER MOD Set 3.2: A 69 MET CE :methyl 176:sc= -7.76! (180deg=-2.9) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= -0.0989 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-0.41) USER MOD Single : A 36 THR OG1 : rot 156:sc= 1.51 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl -165:sc= 0 (180deg=-0.0853) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 48 MET CE :methyl -158:sc= -0.255 (180deg=-0.789) USER MOD Single : A 50 LYS NZ :NH3+ 146:sc= -0.124 (180deg=-0.873) USER MOD Single : A 61 HIS : no HD1:sc= -0.0906 X(o=-0.091,f=-0.0047) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot -0:sc= -1.76! USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 267 N ASN A 18 7.118 -2.790 8.302 1.00 0.00 N ATOM 268 CA ASN A 18 6.124 -3.531 9.072 1.00 0.00 C ATOM 269 C ASN A 18 4.948 -3.936 8.190 1.00 0.00 C ATOM 270 O ASN A 18 4.874 -3.552 7.024 1.00 0.00 O ATOM 271 CB ASN A 18 5.632 -2.690 10.252 1.00 0.00 C ATOM 272 CG ASN A 18 5.762 -3.418 11.575 1.00 0.00 C ATOM 273 OD1 ASN A 18 5.047 -4.386 11.838 1.00 0.00 O ATOM 274 ND2 ASN A 18 6.679 -2.955 12.417 1.00 0.00 N ATOM 0 HA ASN A 18 6.595 -4.436 9.455 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.200 -1.761 10.294 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.589 -2.418 10.091 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.813 -3.404 13.323 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.249 -2.150 12.158 1.00 0.00 H new ATOM 281 N TYR A 19 4.030 -4.714 8.752 1.00 0.00 N ATOM 282 CA TYR A 19 2.858 -5.168 8.009 1.00 0.00 C ATOM 283 C TYR A 19 1.586 -4.992 8.830 1.00 0.00 C ATOM 284 O TYR A 19 1.425 -5.602 9.887 1.00 0.00 O ATOM 285 CB TYR A 19 3.006 -6.637 7.592 1.00 0.00 C ATOM 286 CG TYR A 19 4.430 -7.153 7.633 1.00 0.00 C ATOM 287 CD1 TYR A 19 5.406 -6.625 6.798 1.00 0.00 C ATOM 288 CD2 TYR A 19 4.795 -8.169 8.509 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.705 -7.095 6.833 1.00 0.00 C ATOM 290 CE2 TYR A 19 6.091 -8.643 8.551 1.00 0.00 C ATOM 291 CZ TYR A 19 7.044 -8.103 7.711 1.00 0.00 C ATOM 292 OH TYR A 19 8.336 -8.573 7.750 1.00 0.00 O ATOM 0 H TYR A 19 4.073 -5.043 9.716 1.00 0.00 H new ATOM 0 HA TYR A 19 2.783 -4.554 7.112 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.389 -7.253 8.246 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.617 -6.757 6.581 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.146 -5.834 6.110 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.052 -8.595 9.168 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.452 -6.675 6.176 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.358 -9.433 9.238 1.00 0.00 H new ATOM 0 HH TYR A 19 8.406 -9.281 8.424 1.00 0.00 H new ATOM 302 N ILE A 20 0.682 -4.157 8.329 1.00 0.00 N ATOM 303 CA ILE A 20 -0.582 -3.896 9.003 1.00 0.00 C ATOM 304 C ILE A 20 -1.548 -5.064 8.820 1.00 0.00 C ATOM 305 O ILE A 20 -2.044 -5.305 7.720 1.00 0.00 O ATOM 306 CB ILE A 20 -1.239 -2.606 8.466 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.402 -1.384 8.854 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.664 -2.467 8.986 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.536 -0.923 7.761 1.00 0.00 C ATOM 0 H ILE A 20 0.804 -3.648 7.454 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.365 -3.772 10.064 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.281 -2.668 7.379 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.071 -0.564 9.117 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.180 -1.620 9.745 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.106 -1.551 8.594 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.255 -3.323 8.661 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.652 -2.427 10.075 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.097 -0.054 8.105 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.229 -1.727 7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.041 -0.655 6.876 1.00 0.00 H new ATOM 321 N CYS A 21 -1.816 -5.775 9.908 1.00 0.00 N ATOM 322 CA CYS A 21 -2.729 -6.912 9.873 1.00 0.00 C ATOM 323 C CYS A 21 -4.175 -6.434 9.940 1.00 0.00 C ATOM 324 O CYS A 21 -4.514 -5.571 10.750 1.00 0.00 O ATOM 325 CB CYS A 21 -2.437 -7.868 11.030 1.00 0.00 C ATOM 326 SG CYS A 21 -1.243 -9.166 10.631 1.00 0.00 S ATOM 0 H CYS A 21 -1.414 -5.585 10.826 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.579 -7.445 8.934 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.063 -7.293 11.877 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.370 -8.333 11.348 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.060 -9.922 11.672 1.00 0.00 H new ATOM 332 N HIS A 22 -5.023 -6.996 9.086 1.00 0.00 N ATOM 333 CA HIS A 22 -6.430 -6.620 9.053 1.00 0.00 C ATOM 334 C HIS A 22 -7.250 -7.625 8.252 1.00 0.00 C ATOM 335 O HIS A 22 -7.141 -7.692 7.029 1.00 0.00 O ATOM 336 CB HIS A 22 -6.591 -5.223 8.452 1.00 0.00 C ATOM 337 CG HIS A 22 -7.675 -4.418 9.099 1.00 0.00 C ATOM 338 ND1 HIS A 22 -7.490 -3.705 10.265 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.965 -4.218 8.738 1.00 0.00 C ATOM 340 CE1 HIS A 22 -8.619 -3.102 10.593 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.528 -3.395 9.682 1.00 0.00 N ATOM 0 H HIS A 22 -4.761 -7.712 8.409 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.799 -6.616 10.078 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.647 -4.686 8.542 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.804 -5.316 7.387 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.459 -4.629 7.870 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.772 -2.476 11.459 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.493 -3.064 9.680 1.00 0.00 H new ATOM 350 N LYS A 23 -8.083 -8.393 8.955 1.00 0.00 N ATOM 351 CA LYS A 23 -8.955 -9.400 8.337 1.00 0.00 C ATOM 352 C LYS A 23 -8.362 -9.992 7.057 1.00 0.00 C ATOM 353 O LYS A 23 -8.736 -9.602 5.954 1.00 0.00 O ATOM 354 CB LYS A 23 -10.324 -8.793 8.032 1.00 0.00 C ATOM 355 CG LYS A 23 -10.263 -7.342 7.585 1.00 0.00 C ATOM 356 CD LYS A 23 -11.384 -7.006 6.619 1.00 0.00 C ATOM 357 CE LYS A 23 -12.752 -7.260 7.230 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.610 -6.044 7.197 1.00 0.00 N ATOM 0 H LYS A 23 -8.174 -8.337 9.969 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.055 -10.213 9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.808 -9.383 7.254 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.949 -8.864 8.922 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.325 -6.690 8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.302 -7.148 7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.307 -5.960 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.274 -7.603 5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.246 -8.068 6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.633 -7.592 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.534 -6.259 7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.151 -5.281 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.745 -5.741 6.211 1.00 0.00 H new ATOM 372 N GLY A 24 -7.452 -10.946 7.214 1.00 0.00 N ATOM 373 CA GLY A 24 -6.842 -11.586 6.060 1.00 0.00 C ATOM 374 C GLY A 24 -6.010 -10.645 5.210 1.00 0.00 C ATOM 375 O GLY A 24 -5.597 -11.011 4.111 1.00 0.00 O ATOM 0 H GLY A 24 -7.125 -11.289 8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.211 -12.406 6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.626 -12.023 5.441 1.00 0.00 H new ATOM 379 N HIS A 25 -5.758 -9.435 5.703 1.00 0.00 N ATOM 380 CA HIS A 25 -4.968 -8.473 4.946 1.00 0.00 C ATOM 381 C HIS A 25 -3.747 -7.996 5.726 1.00 0.00 C ATOM 382 O HIS A 25 -3.839 -7.644 6.899 1.00 0.00 O ATOM 383 CB HIS A 25 -5.830 -7.277 4.520 1.00 0.00 C ATOM 384 CG HIS A 25 -5.928 -7.149 3.037 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.872 -6.398 2.367 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.175 -7.736 2.087 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.660 -6.564 1.049 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.636 -7.371 0.840 1.00 0.00 N ATOM 0 H HIS A 25 -6.085 -9.102 6.610 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.608 -8.985 4.053 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.830 -7.385 4.940 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.407 -6.362 4.934 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.338 -8.392 2.274 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.247 -6.101 0.269 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.262 -7.665 -0.062 1.00 0.00 H new ATOM 396 N GLU A 26 -2.601 -7.983 5.047 1.00 0.00 N ATOM 397 CA GLU A 26 -1.351 -7.544 5.656 1.00 0.00 C ATOM 398 C GLU A 26 -0.756 -6.385 4.862 1.00 0.00 C ATOM 399 O GLU A 26 0.256 -6.541 4.178 1.00 0.00 O ATOM 400 CB GLU A 26 -0.356 -8.704 5.723 1.00 0.00 C ATOM 401 CG GLU A 26 -0.378 -9.449 7.047 1.00 0.00 C ATOM 402 CD GLU A 26 -1.122 -10.768 6.962 1.00 0.00 C ATOM 403 OE1 GLU A 26 -2.370 -10.750 7.008 1.00 0.00 O ATOM 404 OE2 GLU A 26 -0.456 -11.818 6.850 1.00 0.00 O ATOM 0 H GLU A 26 -2.515 -8.273 4.073 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.559 -7.204 6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.574 -9.405 4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.649 -8.320 5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.646 -9.634 7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.845 -8.821 7.805 1.00 0.00 H new ATOM 411 N PHE A 27 -1.398 -5.226 4.953 1.00 0.00 N ATOM 412 CA PHE A 27 -0.942 -4.039 4.240 1.00 0.00 C ATOM 413 C PHE A 27 0.450 -3.631 4.696 1.00 0.00 C ATOM 414 O PHE A 27 0.908 -4.033 5.762 1.00 0.00 O ATOM 415 CB PHE A 27 -1.920 -2.880 4.428 1.00 0.00 C ATOM 416 CG PHE A 27 -3.365 -3.291 4.357 1.00 0.00 C ATOM 417 CD1 PHE A 27 -3.953 -3.588 3.138 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.131 -3.379 5.508 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.281 -3.966 3.067 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.460 -3.756 5.443 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.035 -4.051 4.222 1.00 0.00 C ATOM 0 H PHE A 27 -2.237 -5.083 5.515 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.899 -4.286 3.179 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.732 -2.410 5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.728 -2.126 3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.367 -3.523 2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.686 -3.151 6.465 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.728 -4.194 2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.048 -3.820 6.347 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.072 -4.348 4.170 1.00 0.00 H new ATOM 431 N ILE A 28 1.126 -2.846 3.870 1.00 0.00 N ATOM 432 CA ILE A 28 2.477 -2.396 4.178 1.00 0.00 C ATOM 433 C ILE A 28 2.593 -0.883 4.043 1.00 0.00 C ATOM 434 O ILE A 28 2.138 -0.302 3.059 1.00 0.00 O ATOM 435 CB ILE A 28 3.507 -3.065 3.251 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.169 -4.550 3.061 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.913 -2.888 3.808 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.582 -5.428 4.222 1.00 0.00 C ATOM 0 H ILE A 28 0.761 -2.507 2.980 1.00 0.00 H new ATOM 0 HA ILE A 28 2.685 -2.681 5.209 1.00 0.00 H new ATOM 0 HB ILE A 28 3.468 -2.583 2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.095 -4.651 2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.656 -4.910 2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.631 -3.366 3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.142 -1.825 3.886 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.973 -3.346 4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.309 -6.462 4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.660 -5.359 4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.075 -5.096 5.128 1.00 0.00 H new ATOM 450 N PRO A 29 3.211 -0.221 5.035 1.00 0.00 N ATOM 451 CA PRO A 29 3.383 1.232 5.019 1.00 0.00 C ATOM 452 C PRO A 29 4.371 1.690 3.960 1.00 0.00 C ATOM 453 O PRO A 29 5.562 1.389 4.033 1.00 0.00 O ATOM 454 CB PRO A 29 3.921 1.542 6.415 1.00 0.00 C ATOM 455 CG PRO A 29 4.579 0.284 6.859 1.00 0.00 C ATOM 456 CD PRO A 29 3.789 -0.835 6.243 1.00 0.00 C ATOM 0 HA PRO A 29 2.452 1.746 4.780 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.629 2.371 6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.118 1.829 7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.619 0.252 6.535 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.582 0.208 7.946 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.423 -1.686 5.997 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.015 -1.199 6.918 1.00 0.00 H new ATOM 464 N THR A 30 3.871 2.428 2.977 1.00 0.00 N ATOM 465 CA THR A 30 4.715 2.933 1.906 1.00 0.00 C ATOM 466 C THR A 30 4.116 4.193 1.290 1.00 0.00 C ATOM 467 O THR A 30 2.947 4.510 1.510 1.00 0.00 O ATOM 468 CB THR A 30 4.904 1.866 0.827 1.00 0.00 C ATOM 469 OG1 THR A 30 5.788 2.325 -0.181 1.00 0.00 O ATOM 470 CG2 THR A 30 3.611 1.460 0.154 1.00 0.00 C ATOM 0 H THR A 30 2.888 2.689 2.901 1.00 0.00 H new ATOM 0 HA THR A 30 5.686 3.183 2.332 1.00 0.00 H new ATOM 0 HB THR A 30 5.312 0.999 1.346 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.898 1.628 -0.862 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.816 0.701 -0.600 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.925 1.056 0.898 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.159 2.331 -0.321 1.00 0.00 H new ATOM 478 N LEU A 31 4.926 4.911 0.519 1.00 0.00 N ATOM 479 CA LEU A 31 4.478 6.136 -0.129 1.00 0.00 C ATOM 480 C LEU A 31 4.483 5.978 -1.647 1.00 0.00 C ATOM 481 O LEU A 31 5.249 5.186 -2.196 1.00 0.00 O ATOM 482 CB LEU A 31 5.372 7.306 0.280 1.00 0.00 C ATOM 483 CG LEU A 31 5.521 7.510 1.788 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.539 8.601 2.082 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.176 7.849 2.414 1.00 0.00 C ATOM 0 H LEU A 31 5.897 4.664 0.328 1.00 0.00 H new ATOM 0 HA LEU A 31 3.457 6.340 0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.362 7.155 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.971 8.220 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 31 5.881 6.580 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.631 8.732 3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.506 8.318 1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.210 9.537 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.300 7.991 3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.788 8.765 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.475 7.034 2.234 1.00 0.00 H new ATOM 497 N TYR A 32 3.620 6.734 -2.319 1.00 0.00 N ATOM 498 CA TYR A 32 3.524 6.675 -3.773 1.00 0.00 C ATOM 499 C TYR A 32 3.551 8.073 -4.381 1.00 0.00 C ATOM 500 O TYR A 32 2.604 8.844 -4.230 1.00 0.00 O ATOM 501 CB TYR A 32 2.244 5.948 -4.190 1.00 0.00 C ATOM 502 CG TYR A 32 2.385 4.443 -4.224 1.00 0.00 C ATOM 503 CD1 TYR A 32 2.314 3.693 -3.057 1.00 0.00 C ATOM 504 CD2 TYR A 32 2.588 3.772 -5.424 1.00 0.00 C ATOM 505 CE1 TYR A 32 2.443 2.317 -3.085 1.00 0.00 C ATOM 506 CE2 TYR A 32 2.716 2.397 -5.460 1.00 0.00 C ATOM 507 CZ TYR A 32 2.644 1.675 -4.288 1.00 0.00 C ATOM 508 OH TYR A 32 2.773 0.305 -4.319 1.00 0.00 O ATOM 0 H TYR A 32 2.978 7.394 -1.880 1.00 0.00 H new ATOM 0 HA TYR A 32 4.387 6.123 -4.146 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.444 6.214 -3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.942 6.298 -5.177 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.156 4.193 -2.113 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.647 4.335 -6.344 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.387 1.748 -2.169 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.872 1.891 -6.401 1.00 0.00 H new ATOM 0 HH TYR A 32 2.908 0.010 -5.244 1.00 0.00 H new ATOM 518 N HIS A 33 4.641 8.391 -5.069 1.00 0.00 N ATOM 519 CA HIS A 33 4.793 9.696 -5.705 1.00 0.00 C ATOM 520 C HIS A 33 4.053 9.751 -7.041 1.00 0.00 C ATOM 521 O HIS A 33 3.869 10.824 -7.612 1.00 0.00 O ATOM 522 CB HIS A 33 6.272 10.013 -5.917 1.00 0.00 C ATOM 523 CG HIS A 33 7.076 9.993 -4.653 1.00 0.00 C ATOM 524 ND1 HIS A 33 7.549 11.135 -4.043 1.00 0.00 N ATOM 525 CD2 HIS A 33 7.488 8.959 -3.882 1.00 0.00 C ATOM 526 CE1 HIS A 33 8.219 10.807 -2.953 1.00 0.00 C ATOM 527 NE2 HIS A 33 8.195 9.492 -2.832 1.00 0.00 N ATOM 0 H HIS A 33 5.434 7.763 -5.201 1.00 0.00 H new ATOM 0 HA HIS A 33 4.357 10.443 -5.042 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.693 9.292 -6.617 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.362 10.996 -6.380 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.296 7.911 -4.059 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.703 11.496 -2.277 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.631 8.958 -2.080 1.00 0.00 H new ATOM 536 N PHE A 34 3.630 8.588 -7.535 1.00 0.00 N ATOM 537 CA PHE A 34 2.912 8.517 -8.802 1.00 0.00 C ATOM 538 C PHE A 34 1.423 8.276 -8.567 1.00 0.00 C ATOM 539 O PHE A 34 1.000 8.001 -7.444 1.00 0.00 O ATOM 540 CB PHE A 34 3.486 7.405 -9.686 1.00 0.00 C ATOM 541 CG PHE A 34 4.983 7.283 -9.611 1.00 0.00 C ATOM 542 CD1 PHE A 34 5.796 8.067 -10.413 1.00 0.00 C ATOM 543 CD2 PHE A 34 5.575 6.382 -8.739 1.00 0.00 C ATOM 544 CE1 PHE A 34 7.172 7.957 -10.347 1.00 0.00 C ATOM 545 CE2 PHE A 34 6.951 6.268 -8.669 1.00 0.00 C ATOM 546 CZ PHE A 34 7.749 7.056 -9.474 1.00 0.00 C ATOM 0 H PHE A 34 3.772 7.687 -7.078 1.00 0.00 H new ATOM 0 HA PHE A 34 3.036 9.472 -9.312 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.038 6.455 -9.395 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.197 7.590 -10.721 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.349 8.773 -11.098 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.955 5.763 -8.108 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.795 8.575 -10.977 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.401 5.563 -7.985 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.824 6.968 -9.421 1.00 0.00 H new ATOM 556 N PRO A 35 0.607 8.381 -9.628 1.00 0.00 N ATOM 557 CA PRO A 35 -0.845 8.181 -9.534 1.00 0.00 C ATOM 558 C PRO A 35 -1.214 6.771 -9.082 1.00 0.00 C ATOM 559 O PRO A 35 -1.062 5.807 -9.832 1.00 0.00 O ATOM 560 CB PRO A 35 -1.339 8.425 -10.966 1.00 0.00 C ATOM 561 CG PRO A 35 -0.245 9.186 -11.632 1.00 0.00 C ATOM 562 CD PRO A 35 1.027 8.711 -10.998 1.00 0.00 C ATOM 0 HA PRO A 35 -1.293 8.844 -8.794 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.534 7.484 -11.481 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.271 8.990 -10.970 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.239 9.002 -12.706 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.374 10.259 -11.493 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.437 7.843 -11.515 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.797 9.482 -11.010 1.00 0.00 H new ATOM 570 N THR A 36 -1.709 6.660 -7.852 1.00 0.00 N ATOM 571 CA THR A 36 -2.112 5.373 -7.301 1.00 0.00 C ATOM 572 C THR A 36 -3.576 5.423 -6.870 1.00 0.00 C ATOM 573 O THR A 36 -3.990 6.327 -6.145 1.00 0.00 O ATOM 574 CB THR A 36 -1.205 4.991 -6.121 1.00 0.00 C ATOM 575 OG1 THR A 36 -0.018 4.377 -6.586 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.850 4.041 -5.131 1.00 0.00 C ATOM 0 H THR A 36 -1.840 7.448 -7.218 1.00 0.00 H new ATOM 0 HA THR A 36 -2.007 4.608 -8.071 1.00 0.00 H new ATOM 0 HB THR A 36 -1.000 5.931 -5.608 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.688 4.481 -5.915 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.147 3.820 -4.328 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.744 4.503 -4.713 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.123 3.116 -5.639 1.00 0.00 H new ATOM 584 N ASN A 37 -4.358 4.451 -7.329 1.00 0.00 N ATOM 585 CA ASN A 37 -5.775 4.394 -6.995 1.00 0.00 C ATOM 586 C ASN A 37 -6.022 3.495 -5.788 1.00 0.00 C ATOM 587 O ASN A 37 -5.856 2.279 -5.865 1.00 0.00 O ATOM 588 CB ASN A 37 -6.580 3.888 -8.193 1.00 0.00 C ATOM 589 CG ASN A 37 -6.702 4.929 -9.289 1.00 0.00 C ATOM 590 OD1 ASN A 37 -7.427 5.914 -9.146 1.00 0.00 O ATOM 591 ND2 ASN A 37 -5.993 4.716 -10.391 1.00 0.00 N ATOM 0 H ASN A 37 -4.035 3.694 -7.932 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.101 5.403 -6.742 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.104 2.994 -8.596 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.576 3.596 -7.861 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.036 5.382 -11.162 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.405 3.886 -10.467 1.00 0.00 H new ATOM 598 N CYS A 38 -6.429 4.103 -4.677 1.00 0.00 N ATOM 599 CA CYS A 38 -6.710 3.356 -3.458 1.00 0.00 C ATOM 600 C CYS A 38 -7.758 2.276 -3.731 1.00 0.00 C ATOM 601 O CYS A 38 -8.552 2.392 -4.664 1.00 0.00 O ATOM 602 CB CYS A 38 -7.169 4.314 -2.347 1.00 0.00 C ATOM 603 SG CYS A 38 -8.674 3.797 -1.443 1.00 0.00 S ATOM 0 H CYS A 38 -6.571 5.110 -4.597 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.799 2.861 -3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.356 4.429 -1.630 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.348 5.295 -2.787 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.495 4.802 -1.356 1.00 0.00 H new ATOM 608 N GLU A 39 -7.748 1.225 -2.918 1.00 0.00 N ATOM 609 CA GLU A 39 -8.694 0.124 -3.083 1.00 0.00 C ATOM 610 C GLU A 39 -9.968 0.360 -2.276 1.00 0.00 C ATOM 611 O GLU A 39 -11.063 0.002 -2.710 1.00 0.00 O ATOM 612 CB GLU A 39 -8.045 -1.197 -2.662 1.00 0.00 C ATOM 613 CG GLU A 39 -7.993 -2.231 -3.774 1.00 0.00 C ATOM 614 CD GLU A 39 -9.373 -2.676 -4.220 1.00 0.00 C ATOM 615 OE1 GLU A 39 -9.951 -2.016 -5.110 1.00 0.00 O ATOM 616 OE2 GLU A 39 -9.875 -3.684 -3.680 1.00 0.00 O ATOM 0 H GLU A 39 -7.098 1.111 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.966 0.072 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.031 -0.999 -2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.597 -1.611 -1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.456 -1.816 -4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.428 -3.098 -3.433 1.00 0.00 H new ATOM 623 N ALA A 40 -9.821 0.958 -1.098 1.00 0.00 N ATOM 624 CA ALA A 40 -10.961 1.231 -0.231 1.00 0.00 C ATOM 625 C ALA A 40 -12.004 2.102 -0.934 1.00 0.00 C ATOM 626 O ALA A 40 -12.940 1.588 -1.546 1.00 0.00 O ATOM 627 CB ALA A 40 -10.494 1.884 1.063 1.00 0.00 C ATOM 0 H ALA A 40 -8.923 1.263 -0.722 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.438 0.281 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.355 2.083 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.805 1.216 1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.987 2.822 0.835 1.00 0.00 H new ATOM 633 N CYS A 41 -11.845 3.421 -0.838 1.00 0.00 N ATOM 634 CA CYS A 41 -12.780 4.352 -1.460 1.00 0.00 C ATOM 635 C CYS A 41 -12.493 4.507 -2.953 1.00 0.00 C ATOM 636 O CYS A 41 -11.765 3.706 -3.540 1.00 0.00 O ATOM 637 CB CYS A 41 -12.719 5.714 -0.761 1.00 0.00 C ATOM 638 SG CYS A 41 -11.211 6.677 -1.109 1.00 0.00 S ATOM 0 H CYS A 41 -11.078 3.867 -0.335 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.785 3.945 -1.351 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.587 6.301 -1.061 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.796 5.559 0.315 1.00 0.00 H new ATOM 0 HG CYS A 41 -11.291 7.835 -0.523 1.00 0.00 H new ATOM 643 N MET A 42 -13.077 5.536 -3.561 1.00 0.00 N ATOM 644 CA MET A 42 -12.889 5.791 -4.985 1.00 0.00 C ATOM 645 C MET A 42 -11.885 6.918 -5.220 1.00 0.00 C ATOM 646 O MET A 42 -11.239 6.973 -6.266 1.00 0.00 O ATOM 647 CB MET A 42 -14.227 6.144 -5.639 1.00 0.00 C ATOM 648 CG MET A 42 -15.340 5.159 -5.317 1.00 0.00 C ATOM 649 SD MET A 42 -16.905 5.972 -4.944 1.00 0.00 S ATOM 650 CE MET A 42 -16.546 6.675 -3.336 1.00 0.00 C ATOM 0 H MET A 42 -13.684 6.206 -3.089 1.00 0.00 H new ATOM 0 HA MET A 42 -12.493 4.882 -5.437 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.529 7.140 -5.314 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.093 6.188 -6.720 1.00 0.00 H new ATOM 0 HG2 MET A 42 -15.478 4.485 -6.162 1.00 0.00 H new ATOM 0 HG3 MET A 42 -15.042 4.546 -4.466 1.00 0.00 H new ATOM 0 HE1 MET A 42 -17.476 6.976 -2.855 1.00 0.00 H new ATOM 0 HE2 MET A 42 -16.042 5.932 -2.718 1.00 0.00 H new ATOM 0 HE3 MET A 42 -15.901 7.545 -3.455 1.00 0.00 H new ATOM 660 N LYS A 43 -11.759 7.815 -4.246 1.00 0.00 N ATOM 661 CA LYS A 43 -10.834 8.941 -4.356 1.00 0.00 C ATOM 662 C LYS A 43 -9.429 8.463 -4.723 1.00 0.00 C ATOM 663 O LYS A 43 -9.052 7.330 -4.428 1.00 0.00 O ATOM 664 CB LYS A 43 -10.796 9.729 -3.045 1.00 0.00 C ATOM 665 CG LYS A 43 -11.731 10.928 -3.030 1.00 0.00 C ATOM 666 CD LYS A 43 -11.082 12.135 -2.370 1.00 0.00 C ATOM 667 CE LYS A 43 -12.046 12.847 -1.435 1.00 0.00 C ATOM 668 NZ LYS A 43 -11.386 13.257 -0.165 1.00 0.00 N ATOM 0 H LYS A 43 -12.285 7.785 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.192 9.594 -5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.058 9.063 -2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.777 10.071 -2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.016 11.180 -4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.646 10.670 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.202 11.816 -1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.739 12.829 -3.137 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.452 13.727 -1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.887 12.190 -1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.077 13.739 0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.020 12.415 0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.599 13.904 -0.376 1.00 0.00 H new ATOM 682 N PRO A 44 -8.634 9.330 -5.375 1.00 0.00 N ATOM 683 CA PRO A 44 -7.266 8.993 -5.786 1.00 0.00 C ATOM 684 C PRO A 44 -6.312 8.875 -4.603 1.00 0.00 C ATOM 685 O PRO A 44 -6.650 9.246 -3.479 1.00 0.00 O ATOM 686 CB PRO A 44 -6.865 10.168 -6.681 1.00 0.00 C ATOM 687 CG PRO A 44 -7.704 11.305 -6.212 1.00 0.00 C ATOM 688 CD PRO A 44 -9.008 10.702 -5.769 1.00 0.00 C ATOM 0 HA PRO A 44 -7.219 8.024 -6.283 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.803 10.394 -6.585 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -7.050 9.946 -7.732 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.220 11.835 -5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.861 12.030 -7.011 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.444 11.254 -4.937 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.745 10.703 -6.572 1.00 0.00 H new ATOM 696 N LEU A 45 -5.117 8.358 -4.867 1.00 0.00 N ATOM 697 CA LEU A 45 -4.106 8.189 -3.828 1.00 0.00 C ATOM 698 C LEU A 45 -2.708 8.440 -4.387 1.00 0.00 C ATOM 699 O LEU A 45 -2.160 7.607 -5.108 1.00 0.00 O ATOM 700 CB LEU A 45 -4.183 6.779 -3.236 1.00 0.00 C ATOM 701 CG LEU A 45 -3.446 6.592 -1.909 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.152 5.565 -1.045 1.00 0.00 C ATOM 703 CD2 LEU A 45 -2.007 6.173 -2.151 1.00 0.00 C ATOM 0 H LEU A 45 -4.824 8.048 -5.793 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.303 8.918 -3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.232 6.519 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.777 6.074 -3.962 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.446 7.547 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.612 5.447 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.169 5.900 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.184 4.609 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.500 6.045 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.990 5.231 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.497 6.941 -2.732 1.00 0.00 H new ATOM 715 N TRP A 46 -2.132 9.594 -4.051 1.00 0.00 N ATOM 716 CA TRP A 46 -0.793 9.951 -4.521 1.00 0.00 C ATOM 717 C TRP A 46 -0.439 11.385 -4.141 1.00 0.00 C ATOM 718 O TRP A 46 -1.222 12.082 -3.496 1.00 0.00 O ATOM 719 CB TRP A 46 -0.690 9.782 -6.040 1.00 0.00 C ATOM 720 CG TRP A 46 -1.780 10.486 -6.791 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.010 9.987 -7.107 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.735 11.815 -7.321 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.735 10.925 -7.802 1.00 0.00 N ATOM 724 CE2 TRP A 46 -2.974 12.057 -7.946 1.00 0.00 C ATOM 725 CE3 TRP A 46 -0.769 12.826 -7.329 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -3.270 13.266 -8.570 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -1.065 14.025 -7.949 1.00 0.00 C ATOM 728 CH2 TRP A 46 -2.306 14.237 -8.562 1.00 0.00 C ATOM 0 H TRP A 46 -2.571 10.297 -3.456 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.086 9.278 -4.037 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.276 10.160 -6.376 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.719 8.720 -6.283 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.362 8.999 -6.849 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.684 10.800 -8.153 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.191 12.673 -6.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.226 13.431 -9.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.326 14.813 -7.961 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.506 15.186 -9.038 1.00 0.00 H new ATOM 739 N HIS A 47 0.750 11.817 -4.553 1.00 0.00 N ATOM 740 CA HIS A 47 1.222 13.168 -4.268 1.00 0.00 C ATOM 741 C HIS A 47 2.617 13.381 -4.853 1.00 0.00 C ATOM 742 O HIS A 47 3.480 12.509 -4.755 1.00 0.00 O ATOM 743 CB HIS A 47 1.241 13.423 -2.758 1.00 0.00 C ATOM 744 CG HIS A 47 0.634 14.733 -2.365 1.00 0.00 C ATOM 745 ND1 HIS A 47 1.312 15.932 -2.448 1.00 0.00 N ATOM 746 CD2 HIS A 47 -0.594 15.033 -1.880 1.00 0.00 C ATOM 747 CE1 HIS A 47 0.527 16.910 -2.033 1.00 0.00 C ATOM 748 NE2 HIS A 47 -0.636 16.391 -1.683 1.00 0.00 N ATOM 0 H HIS A 47 1.406 11.248 -5.088 1.00 0.00 H new ATOM 0 HA HIS A 47 0.535 13.875 -4.733 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.705 12.618 -2.255 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.272 13.389 -2.405 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.393 14.333 -1.684 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.791 17.956 -1.988 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -1.435 16.914 -1.325 1.00 0.00 H new ATOM 757 N MET A 48 2.828 14.541 -5.465 1.00 0.00 N ATOM 758 CA MET A 48 4.116 14.862 -6.069 1.00 0.00 C ATOM 759 C MET A 48 5.071 15.466 -5.045 1.00 0.00 C ATOM 760 O MET A 48 6.272 15.196 -5.068 1.00 0.00 O ATOM 761 CB MET A 48 3.926 15.830 -7.237 1.00 0.00 C ATOM 762 CG MET A 48 2.854 15.393 -8.223 1.00 0.00 C ATOM 763 SD MET A 48 1.852 16.769 -8.818 1.00 0.00 S ATOM 764 CE MET A 48 1.052 17.287 -7.301 1.00 0.00 C ATOM 0 H MET A 48 2.125 15.274 -5.556 1.00 0.00 H new ATOM 0 HA MET A 48 4.553 13.934 -6.438 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.667 16.813 -6.844 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.873 15.937 -7.767 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.327 14.900 -9.072 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.206 14.657 -7.747 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.142 17.837 -7.539 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.800 16.410 -6.705 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.727 17.929 -6.735 1.00 0.00 H new ATOM 774 N PHE A 49 4.533 16.289 -4.151 1.00 0.00 N ATOM 775 CA PHE A 49 5.343 16.933 -3.123 1.00 0.00 C ATOM 776 C PHE A 49 5.460 16.051 -1.884 1.00 0.00 C ATOM 777 O PHE A 49 6.495 15.428 -1.649 1.00 0.00 O ATOM 778 CB PHE A 49 4.741 18.287 -2.747 1.00 0.00 C ATOM 779 CG PHE A 49 4.863 19.319 -3.832 1.00 0.00 C ATOM 780 CD1 PHE A 49 4.161 19.181 -5.018 1.00 0.00 C ATOM 781 CD2 PHE A 49 5.680 20.425 -3.665 1.00 0.00 C ATOM 782 CE1 PHE A 49 4.272 20.129 -6.019 1.00 0.00 C ATOM 783 CE2 PHE A 49 5.795 21.376 -4.663 1.00 0.00 C ATOM 784 CZ PHE A 49 5.091 21.227 -5.841 1.00 0.00 C ATOM 0 H PHE A 49 3.541 16.526 -4.117 1.00 0.00 H new ATOM 0 HA PHE A 49 6.343 17.087 -3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.688 18.152 -2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.233 18.657 -1.847 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.520 18.324 -5.163 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.233 20.546 -2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.719 20.011 -6.939 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.435 22.234 -4.521 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.180 21.968 -6.622 1.00 0.00 H new ATOM 794 N LYS A 50 4.394 16.007 -1.092 1.00 0.00 N ATOM 795 CA LYS A 50 4.381 15.205 0.127 1.00 0.00 C ATOM 796 C LYS A 50 3.419 14.027 0.000 1.00 0.00 C ATOM 797 O LYS A 50 2.219 14.166 0.242 1.00 0.00 O ATOM 798 CB LYS A 50 3.985 16.072 1.324 1.00 0.00 C ATOM 799 CG LYS A 50 5.093 17.000 1.796 1.00 0.00 C ATOM 800 CD LYS A 50 5.926 16.363 2.898 1.00 0.00 C ATOM 801 CE LYS A 50 5.947 17.225 4.151 1.00 0.00 C ATOM 802 NZ LYS A 50 4.573 17.559 4.619 1.00 0.00 N ATOM 0 H LYS A 50 3.529 16.516 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 50 5.386 14.812 0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.112 16.668 1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.689 15.424 2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.737 17.256 0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.658 17.931 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.522 15.380 3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.945 16.211 2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.483 16.701 4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.495 18.145 3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.563 17.608 5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.286 18.478 4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.910 16.824 4.301 1.00 0.00 H new ATOM 816 N PRO A 51 3.931 12.841 -0.379 1.00 0.00 N ATOM 817 CA PRO A 51 3.104 11.641 -0.532 1.00 0.00 C ATOM 818 C PRO A 51 2.561 11.145 0.808 1.00 0.00 C ATOM 819 O PRO A 51 3.312 10.984 1.770 1.00 0.00 O ATOM 820 CB PRO A 51 4.067 10.613 -1.132 1.00 0.00 C ATOM 821 CG PRO A 51 5.423 11.078 -0.729 1.00 0.00 C ATOM 822 CD PRO A 51 5.349 12.579 -0.687 1.00 0.00 C ATOM 0 HA PRO A 51 2.225 11.827 -1.150 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.863 9.612 -0.752 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.971 10.568 -2.217 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.701 10.673 0.244 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.178 10.744 -1.441 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.009 12.993 0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.643 13.023 -1.638 1.00 0.00 H new ATOM 830 N PRO A 52 1.241 10.898 0.890 1.00 0.00 N ATOM 831 CA PRO A 52 0.603 10.425 2.123 1.00 0.00 C ATOM 832 C PRO A 52 0.954 8.973 2.437 1.00 0.00 C ATOM 833 O PRO A 52 1.222 8.180 1.534 1.00 0.00 O ATOM 834 CB PRO A 52 -0.891 10.561 1.823 1.00 0.00 C ATOM 835 CG PRO A 52 -0.989 10.452 0.341 1.00 0.00 C ATOM 836 CD PRO A 52 0.268 11.066 -0.206 1.00 0.00 C ATOM 0 HA PRO A 52 0.930 10.991 2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.467 9.779 2.317 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.281 11.515 2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.080 9.411 0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.871 10.973 -0.031 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.597 10.563 -1.115 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.125 12.117 -0.457 1.00 0.00 H new ATOM 844 N PRO A 53 0.954 8.603 3.730 1.00 0.00 N ATOM 845 CA PRO A 53 1.271 7.237 4.161 1.00 0.00 C ATOM 846 C PRO A 53 0.259 6.221 3.649 1.00 0.00 C ATOM 847 O PRO A 53 -0.763 5.979 4.287 1.00 0.00 O ATOM 848 CB PRO A 53 1.216 7.315 5.691 1.00 0.00 C ATOM 849 CG PRO A 53 0.384 8.517 5.987 1.00 0.00 C ATOM 850 CD PRO A 53 0.644 9.483 4.869 1.00 0.00 C ATOM 0 HA PRO A 53 2.235 6.906 3.774 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.773 6.414 6.116 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.215 7.411 6.117 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.673 8.257 6.040 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.654 8.952 6.949 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.225 10.110 4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.474 10.151 5.099 1.00 0.00 H new ATOM 858 N ALA A 54 0.549 5.624 2.498 1.00 0.00 N ATOM 859 CA ALA A 54 -0.338 4.633 1.910 1.00 0.00 C ATOM 860 C ALA A 54 0.028 3.230 2.381 1.00 0.00 C ATOM 861 O ALA A 54 1.154 2.984 2.814 1.00 0.00 O ATOM 862 CB ALA A 54 -0.291 4.713 0.391 1.00 0.00 C ATOM 0 H ALA A 54 1.392 5.811 1.955 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.355 4.848 2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.960 3.965 -0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.605 5.706 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.727 4.526 0.048 1.00 0.00 H new ATOM 868 N LEU A 55 -0.930 2.313 2.299 1.00 0.00 N ATOM 869 CA LEU A 55 -0.706 0.936 2.721 1.00 0.00 C ATOM 870 C LEU A 55 -0.870 -0.024 1.549 1.00 0.00 C ATOM 871 O LEU A 55 -1.966 -0.181 1.011 1.00 0.00 O ATOM 872 CB LEU A 55 -1.673 0.563 3.846 1.00 0.00 C ATOM 873 CG LEU A 55 -1.707 1.540 5.020 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.644 1.035 6.105 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.305 1.752 5.577 1.00 0.00 C ATOM 0 H LEU A 55 -1.868 2.499 1.944 1.00 0.00 H new ATOM 0 HA LEU A 55 0.316 0.855 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.677 0.484 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.405 -0.424 4.222 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.082 2.499 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.656 1.743 6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.650 0.935 5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.298 0.065 6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.347 2.451 6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.098 0.799 5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.339 2.158 4.797 1.00 0.00 H new ATOM 887 N GLU A 56 0.229 -0.660 1.155 1.00 0.00 N ATOM 888 CA GLU A 56 0.213 -1.600 0.039 1.00 0.00 C ATOM 889 C GLU A 56 0.173 -3.044 0.532 1.00 0.00 C ATOM 890 O GLU A 56 0.959 -3.437 1.393 1.00 0.00 O ATOM 891 CB GLU A 56 1.445 -1.389 -0.843 1.00 0.00 C ATOM 892 CG GLU A 56 1.341 -2.060 -2.203 1.00 0.00 C ATOM 893 CD GLU A 56 2.638 -2.720 -2.628 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.713 -2.162 -2.330 1.00 0.00 O ATOM 895 OE2 GLU A 56 2.577 -3.797 -3.260 1.00 0.00 O ATOM 0 H GLU A 56 1.143 -0.541 1.592 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.689 -1.413 -0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.601 -0.320 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.323 -1.773 -0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.549 -2.808 -2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.053 -1.319 -2.949 1.00 0.00 H new ATOM 902 N CYS A 57 -0.739 -3.832 -0.029 1.00 0.00 N ATOM 903 CA CYS A 57 -0.871 -5.232 0.350 1.00 0.00 C ATOM 904 C CYS A 57 0.281 -6.052 -0.223 1.00 0.00 C ATOM 905 O CYS A 57 0.651 -5.890 -1.386 1.00 0.00 O ATOM 906 CB CYS A 57 -2.209 -5.794 -0.141 1.00 0.00 C ATOM 907 SG CYS A 57 -2.445 -7.569 0.197 1.00 0.00 S ATOM 0 H CYS A 57 -1.396 -3.524 -0.746 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.840 -5.297 1.438 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.019 -5.236 0.329 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.288 -5.627 -1.215 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.391 -7.778 1.479 1.00 0.00 H new ATOM 912 N ARG A 58 0.843 -6.930 0.599 1.00 0.00 N ATOM 913 CA ARG A 58 1.952 -7.774 0.172 1.00 0.00 C ATOM 914 C ARG A 58 1.447 -9.132 -0.309 1.00 0.00 C ATOM 915 O ARG A 58 2.145 -10.140 -0.201 1.00 0.00 O ATOM 916 CB ARG A 58 2.949 -7.953 1.321 1.00 0.00 C ATOM 917 CG ARG A 58 2.383 -8.716 2.508 1.00 0.00 C ATOM 918 CD ARG A 58 3.439 -8.952 3.574 1.00 0.00 C ATOM 919 NE ARG A 58 3.979 -10.309 3.521 1.00 0.00 N ATOM 920 CZ ARG A 58 5.130 -10.671 4.084 1.00 0.00 C ATOM 921 NH1 ARG A 58 5.864 -9.782 4.743 1.00 0.00 N ATOM 922 NH2 ARG A 58 5.550 -11.925 3.988 1.00 0.00 N ATOM 0 H ARG A 58 0.549 -7.076 1.565 1.00 0.00 H new ATOM 0 HA ARG A 58 2.456 -7.285 -0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.828 -8.478 0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.283 -6.971 1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.550 -8.158 2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.985 -9.673 2.170 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.249 -8.234 3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.007 -8.772 4.558 1.00 0.00 H new ATOM 0 HE ARG A 58 3.443 -11.020 3.024 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.547 -8.816 4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.745 -10.066 5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.991 -12.613 3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.432 -12.202 4.419 1.00 0.00 H new ATOM 936 N ARG A 59 0.226 -9.147 -0.843 1.00 0.00 N ATOM 937 CA ARG A 59 -0.380 -10.377 -1.344 1.00 0.00 C ATOM 938 C ARG A 59 -1.030 -10.149 -2.711 1.00 0.00 C ATOM 939 O ARG A 59 -0.496 -10.570 -3.737 1.00 0.00 O ATOM 940 CB ARG A 59 -1.416 -10.899 -0.347 1.00 0.00 C ATOM 941 CG ARG A 59 -0.869 -11.097 1.058 1.00 0.00 C ATOM 942 CD ARG A 59 -1.834 -10.579 2.115 1.00 0.00 C ATOM 943 NE ARG A 59 -2.492 -11.666 2.835 1.00 0.00 N ATOM 944 CZ ARG A 59 -1.895 -12.406 3.767 1.00 0.00 C ATOM 945 NH1 ARG A 59 -0.630 -12.177 4.097 1.00 0.00 N ATOM 946 NH2 ARG A 59 -2.567 -13.376 4.372 1.00 0.00 N ATOM 0 H ARG A 59 -0.362 -8.319 -0.939 1.00 0.00 H new ATOM 0 HA ARG A 59 0.407 -11.122 -1.461 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.252 -10.201 -0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.811 -11.848 -0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.677 -12.156 1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.086 -10.581 1.153 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.293 -9.951 2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.587 -9.950 1.641 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.466 -11.870 2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.110 -11.431 3.636 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.178 -12.747 4.812 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.540 -13.554 4.123 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.111 -13.944 5.086 1.00 0.00 H new ATOM 960 N CYS A 60 -2.185 -9.483 -2.717 1.00 0.00 N ATOM 961 CA CYS A 60 -2.903 -9.205 -3.961 1.00 0.00 C ATOM 962 C CYS A 60 -2.442 -7.891 -4.593 1.00 0.00 C ATOM 963 O CYS A 60 -2.848 -7.555 -5.706 1.00 0.00 O ATOM 964 CB CYS A 60 -4.414 -9.157 -3.708 1.00 0.00 C ATOM 965 SG CYS A 60 -4.965 -7.733 -2.711 1.00 0.00 S ATOM 0 H CYS A 60 -2.642 -9.127 -1.877 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.679 -10.014 -4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.930 -9.135 -4.668 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.715 -10.076 -3.205 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.150 -7.561 -1.713 1.00 0.00 H new ATOM 970 N HIS A 61 -1.591 -7.151 -3.882 1.00 0.00 N ATOM 971 CA HIS A 61 -1.075 -5.879 -4.379 1.00 0.00 C ATOM 972 C HIS A 61 -2.181 -4.830 -4.477 1.00 0.00 C ATOM 973 O HIS A 61 -2.803 -4.664 -5.526 1.00 0.00 O ATOM 974 CB HIS A 61 -0.406 -6.066 -5.743 1.00 0.00 C ATOM 975 CG HIS A 61 1.068 -6.313 -5.658 1.00 0.00 C ATOM 976 ND1 HIS A 61 1.938 -6.043 -6.693 1.00 0.00 N ATOM 977 CD2 HIS A 61 1.826 -6.808 -4.651 1.00 0.00 C ATOM 978 CE1 HIS A 61 3.167 -6.363 -6.327 1.00 0.00 C ATOM 979 NE2 HIS A 61 3.126 -6.829 -5.093 1.00 0.00 N ATOM 0 H HIS A 61 -1.245 -7.413 -2.959 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.332 -5.523 -3.666 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.877 -6.903 -6.258 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.583 -5.178 -6.350 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.474 -7.127 -3.681 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.054 -6.261 -6.935 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.930 -7.152 -4.555 1.00 0.00 H new ATOM 988 N ILE A 62 -2.407 -4.119 -3.379 1.00 0.00 N ATOM 989 CA ILE A 62 -3.421 -3.070 -3.330 1.00 0.00 C ATOM 990 C ILE A 62 -3.000 -1.975 -2.362 1.00 0.00 C ATOM 991 O ILE A 62 -2.542 -2.257 -1.258 1.00 0.00 O ATOM 992 CB ILE A 62 -4.796 -3.617 -2.900 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.720 -4.237 -1.502 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.296 -4.632 -3.911 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.689 -3.622 -0.515 1.00 0.00 C ATOM 0 H ILE A 62 -1.899 -4.250 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.511 -2.666 -4.338 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.502 -2.788 -2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.919 -5.306 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.705 -4.127 -1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.268 -5.011 -3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.391 -4.157 -4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.588 -5.459 -3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.580 -4.110 0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.477 -2.558 -0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.709 -3.755 -0.875 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.143 -0.725 -2.782 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.754 0.395 -1.939 1.00 0.00 C ATOM 1009 C LYS A 63 -3.967 1.130 -1.380 1.00 0.00 C ATOM 1010 O LYS A 63 -4.986 1.273 -2.052 1.00 0.00 O ATOM 1011 CB LYS A 63 -1.871 1.367 -2.719 1.00 0.00 C ATOM 1012 CG LYS A 63 -0.668 0.700 -3.369 1.00 0.00 C ATOM 1013 CD LYS A 63 -0.703 0.825 -4.884 1.00 0.00 C ATOM 1014 CE LYS A 63 -1.959 0.200 -5.469 1.00 0.00 C ATOM 1015 NZ LYS A 63 -1.954 0.227 -6.957 1.00 0.00 N ATOM 0 H LYS A 63 -3.522 -0.464 -3.692 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.191 -0.010 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.470 1.851 -3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.523 2.151 -2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.248 1.152 -2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.643 -0.354 -3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.656 1.877 -5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.176 0.342 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.045 -0.831 -5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.835 0.733 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.828 -0.209 -7.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.898 1.212 -7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.133 -0.303 -7.311 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.835 1.600 -0.142 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.901 2.335 0.531 1.00 0.00 C ATOM 1031 C CYS A 64 -4.311 3.244 1.606 1.00 0.00 C ATOM 1032 O CYS A 64 -3.509 2.801 2.427 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.906 1.373 1.170 1.00 0.00 C ATOM 1034 SG CYS A 64 -6.475 0.038 0.092 1.00 0.00 S ATOM 0 H CYS A 64 -2.991 1.483 0.419 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.420 2.939 -0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -5.452 0.934 2.058 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.772 1.945 1.504 1.00 0.00 H new ATOM 0 HG CYS A 64 -5.911 0.151 -1.074 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.701 4.519 1.594 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.186 5.484 2.573 1.00 0.00 C ATOM 1042 C HIS A 65 -4.210 4.913 3.978 1.00 0.00 C ATOM 1043 O HIS A 65 -5.215 4.358 4.419 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.975 6.811 2.586 1.00 0.00 C ATOM 1045 CG HIS A 65 -6.008 6.948 1.515 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -6.061 7.963 0.581 1.00 0.00 N ATOM 1047 CD2 HIS A 65 -7.072 6.169 1.276 1.00 0.00 C ATOM 1048 CE1 HIS A 65 -7.156 7.762 -0.175 1.00 0.00 C ATOM 1049 NE2 HIS A 65 -7.801 6.679 0.216 1.00 0.00 N ATOM 0 H HIS A 65 -5.366 4.908 0.925 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.162 5.687 2.260 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.463 6.915 3.555 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.269 7.636 2.495 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.392 8.726 0.482 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.323 5.276 1.829 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.465 8.400 -0.990 1.00 0.00 H new ATOM 1057 N LYS A 66 -3.109 5.095 4.689 1.00 0.00 N ATOM 1058 CA LYS A 66 -3.017 4.639 6.065 1.00 0.00 C ATOM 1059 C LYS A 66 -4.216 5.167 6.845 1.00 0.00 C ATOM 1060 O LYS A 66 -4.691 4.539 7.791 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.714 5.125 6.705 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.590 4.768 8.178 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.350 3.933 8.452 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.633 2.818 9.445 1.00 0.00 C ATOM 1065 NZ LYS A 66 0.497 2.616 10.392 1.00 0.00 N ATOM 0 H LYS A 66 -2.269 5.554 4.337 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.019 3.549 6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.871 4.696 6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.646 6.207 6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.552 5.681 8.772 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.476 4.218 8.495 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.015 3.505 7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.442 4.574 8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.538 3.052 10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.824 1.891 8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.264 1.847 11.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.355 2.367 9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.663 3.493 10.927 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.696 6.340 6.427 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.837 6.984 7.063 1.00 0.00 C ATOM 1081 C ASP A 67 -7.018 6.029 7.210 1.00 0.00 C ATOM 1082 O ASP A 67 -7.637 5.965 8.273 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.263 8.214 6.260 1.00 0.00 C ATOM 1084 CG ASP A 67 -7.199 9.118 7.038 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -6.750 9.718 8.038 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -8.380 9.227 6.647 1.00 0.00 O ATOM 0 H ASP A 67 -4.305 6.864 5.644 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.526 7.289 8.062 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.377 8.778 5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.753 7.892 5.341 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.344 5.291 6.147 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.476 4.353 6.208 1.00 0.00 C ATOM 1093 C HIS A 68 -8.351 3.422 7.410 1.00 0.00 C ATOM 1094 O HIS A 68 -9.279 3.300 8.211 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.595 3.522 4.927 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.187 4.277 3.777 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.170 5.234 3.907 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.856 4.253 2.465 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.396 5.757 2.691 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.621 5.197 1.783 1.00 0.00 N ATOM 0 H HIS A 68 -6.856 5.319 5.252 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.379 4.955 6.313 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.606 3.162 4.644 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.208 2.644 5.129 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.117 3.605 2.018 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.117 6.534 2.484 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.588 5.411 0.786 1.00 0.00 H new ATOM 1108 N MET A 69 -7.200 2.769 7.534 1.00 0.00 N ATOM 1109 CA MET A 69 -6.960 1.851 8.642 1.00 0.00 C ATOM 1110 C MET A 69 -6.991 2.590 9.974 1.00 0.00 C ATOM 1111 O MET A 69 -7.638 2.150 10.924 1.00 0.00 O ATOM 1112 CB MET A 69 -5.614 1.145 8.467 1.00 0.00 C ATOM 1113 CG MET A 69 -5.354 0.069 9.508 1.00 0.00 C ATOM 1114 SD MET A 69 -5.707 -1.590 8.894 1.00 0.00 S ATOM 1115 CE MET A 69 -7.380 -1.383 8.293 1.00 0.00 C ATOM 0 H MET A 69 -6.420 2.858 6.882 1.00 0.00 H new ATOM 0 HA MET A 69 -7.754 1.105 8.642 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.574 0.696 7.474 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.815 1.885 8.514 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.313 0.121 9.826 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.966 0.265 10.388 1.00 0.00 H new ATOM 0 HE1 MET A 69 -7.713 -2.306 7.818 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.040 -1.146 9.128 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.408 -0.571 7.567 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.289 3.717 10.037 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.238 4.519 11.254 1.00 0.00 C ATOM 1127 C ASP A 70 -7.628 5.013 11.639 1.00 0.00 C ATOM 1128 O ASP A 70 -7.924 5.208 12.819 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.293 5.707 11.065 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.445 5.973 12.293 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -4.890 6.751 13.163 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -3.338 5.403 12.384 1.00 0.00 O ATOM 0 H ASP A 70 -5.748 4.095 9.260 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.862 3.889 12.060 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.642 5.518 10.212 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.876 6.597 10.830 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.479 5.214 10.638 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.840 5.685 10.872 1.00 0.00 C ATOM 1139 C LYS A 71 -10.792 4.521 11.138 1.00 0.00 C ATOM 1140 O LYS A 71 -11.901 4.718 11.638 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.335 6.496 9.672 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.517 7.750 9.406 1.00 0.00 C ATOM 1143 CD LYS A 71 -10.368 9.005 9.510 1.00 0.00 C ATOM 1144 CE LYS A 71 -9.560 10.186 10.026 1.00 0.00 C ATOM 1145 NZ LYS A 71 -10.433 11.258 10.580 1.00 0.00 N ATOM 0 H LYS A 71 -8.250 5.058 9.656 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.824 6.322 11.756 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.315 5.864 8.784 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.374 6.779 9.839 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.695 7.807 10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.073 7.692 8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.783 9.247 8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.210 8.820 10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.871 9.844 10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.955 10.593 9.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.844 12.044 10.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.074 11.602 9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.992 10.877 11.370 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.359 3.307 10.803 1.00 0.00 N ATOM 1160 CA LYS A 72 -11.178 2.118 11.008 1.00 0.00 C ATOM 1161 C LYS A 72 -12.431 2.170 10.140 1.00 0.00 C ATOM 1162 O LYS A 72 -13.515 1.770 10.567 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.560 1.984 12.485 1.00 0.00 C ATOM 1164 CG LYS A 72 -10.669 1.024 13.257 1.00 0.00 C ATOM 1165 CD LYS A 72 -9.197 1.351 13.064 1.00 0.00 C ATOM 1166 CE LYS A 72 -8.386 1.019 14.306 1.00 0.00 C ATOM 1167 NZ LYS A 72 -8.259 2.190 15.216 1.00 0.00 N ATOM 0 H LYS A 72 -9.445 3.123 10.389 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.594 1.245 10.716 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.515 2.967 12.954 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.593 1.645 12.556 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.917 1.069 14.318 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.862 0.003 12.928 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.807 0.792 12.213 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.086 2.409 12.828 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.860 0.195 14.839 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.393 0.679 14.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.699 1.922 16.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.784 2.968 14.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.205 2.499 15.518 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.272 2.661 8.916 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.383 2.765 7.981 1.00 0.00 C ATOM 1183 C GLU A 73 -13.930 1.388 7.635 1.00 0.00 C ATOM 1184 O GLU A 73 -13.179 0.417 7.524 1.00 0.00 O ATOM 1185 CB GLU A 73 -12.937 3.480 6.705 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.544 4.931 6.924 1.00 0.00 C ATOM 1187 CD GLU A 73 -13.067 5.849 5.835 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -14.280 5.797 5.547 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -12.262 6.619 5.272 1.00 0.00 O ATOM 0 H GLU A 73 -11.381 2.994 8.548 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.174 3.344 8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.090 2.944 6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.745 3.438 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.925 5.265 7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.457 5.007 6.967 1.00 0.00 H new ATOM 1196 N GLU A 74 -15.241 1.313 7.451 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.896 0.059 7.099 1.00 0.00 C ATOM 1198 C GLU A 74 -15.965 -0.093 5.583 1.00 0.00 C ATOM 1199 O GLU A 74 -16.991 -0.487 5.030 1.00 0.00 O ATOM 1200 CB GLU A 74 -17.302 0.006 7.698 1.00 0.00 C ATOM 1201 CG GLU A 74 -18.228 1.090 7.170 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.671 0.878 7.587 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -19.949 0.913 8.804 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -20.522 0.676 6.695 1.00 0.00 O ATOM 0 H GLU A 74 -15.874 2.108 7.540 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.311 -0.765 7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.741 -0.969 7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.230 0.097 8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.888 2.061 7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.168 1.116 6.082 1.00 0.00 H new ATOM 1211 N ILE A 75 -14.862 0.238 4.920 1.00 0.00 N ATOM 1212 CA ILE A 75 -14.781 0.157 3.469 1.00 0.00 C ATOM 1213 C ILE A 75 -13.751 -0.879 3.026 1.00 0.00 C ATOM 1214 O ILE A 75 -13.865 -1.459 1.946 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.418 1.528 2.865 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.056 1.997 3.391 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.502 2.545 3.197 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.740 3.443 3.071 1.00 0.00 C ATOM 0 H ILE A 75 -14.007 0.567 5.369 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.763 -0.149 3.107 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.351 1.432 1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.028 1.860 4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.276 1.363 2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.238 3.511 2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.453 2.211 2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.591 2.642 4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.761 3.700 3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.734 3.584 1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.497 4.088 3.517 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.748 -1.111 3.869 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.702 -2.079 3.565 1.00 0.00 C ATOM 1232 C ILE A 76 -12.222 -3.505 3.700 1.00 0.00 C ATOM 1233 O ILE A 76 -12.985 -3.814 4.617 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.483 -1.897 4.493 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -9.947 -0.467 4.390 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.392 -2.903 4.152 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.249 0.007 5.646 1.00 0.00 C ATOM 0 H ILE A 76 -12.639 -0.641 4.768 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.394 -1.903 2.534 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.801 -2.076 5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.252 -0.407 3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.774 0.207 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.542 -2.757 4.818 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.779 -3.915 4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.073 -2.758 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.895 1.028 5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.947 -0.020 6.483 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.402 -0.645 5.859 1.00 0.00 H new ATOM 1249 N ALA A 77 -11.805 -4.374 2.785 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.227 -5.767 2.806 1.00 0.00 C ATOM 1251 C ALA A 77 -11.029 -6.704 2.909 1.00 0.00 C ATOM 1252 O ALA A 77 -9.890 -6.298 2.674 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.041 -6.098 1.565 1.00 0.00 C ATOM 0 H ALA A 77 -11.174 -4.136 2.019 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.852 -5.911 3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.347 -7.144 1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.925 -5.462 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.435 -5.926 0.676 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.274 -7.975 3.260 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.211 -8.976 3.391 1.00 0.00 C ATOM 1261 C PRO A 78 -9.486 -9.226 2.074 1.00 0.00 C ATOM 1262 O PRO A 78 -10.022 -8.957 0.998 1.00 0.00 O ATOM 1263 CB PRO A 78 -10.954 -10.239 3.840 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.376 -10.016 3.455 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.604 -8.536 3.555 1.00 0.00 C ATOM 0 HA PRO A 78 -9.437 -8.654 4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.550 -11.127 3.354 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.857 -10.391 4.915 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.567 -10.373 2.443 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.050 -10.560 4.117 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.354 -8.194 2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.953 -8.247 4.547 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.265 -9.744 2.163 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.470 -10.032 0.974 1.00 0.00 C ATOM 1275 C CYS A 79 -8.196 -11.022 0.065 1.00 0.00 C ATOM 1276 O CYS A 79 -8.919 -11.897 0.540 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.097 -10.580 1.367 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.856 -10.480 0.031 1.00 0.00 S ATOM 0 H CYS A 79 -7.805 -9.973 3.044 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.329 -9.101 0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.730 -10.029 2.233 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.205 -11.621 1.673 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.130 -9.413 0.192 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.009 -10.868 -1.242 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.659 -11.741 -2.215 1.00 0.00 C ATOM 1285 C LYS A 80 -7.790 -12.947 -2.563 1.00 0.00 C ATOM 1286 O LYS A 80 -8.287 -14.069 -2.657 1.00 0.00 O ATOM 1287 CB LYS A 80 -8.998 -10.959 -3.488 1.00 0.00 C ATOM 1288 CG LYS A 80 -7.849 -10.113 -4.012 1.00 0.00 C ATOM 1289 CD LYS A 80 -8.168 -9.517 -5.375 1.00 0.00 C ATOM 1290 CE LYS A 80 -7.234 -10.049 -6.452 1.00 0.00 C ATOM 1291 NZ LYS A 80 -6.774 -8.970 -7.370 1.00 0.00 N ATOM 0 H LYS A 80 -7.414 -10.148 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.578 -12.110 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.304 -11.661 -4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.852 -10.312 -3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.635 -9.312 -3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.949 -10.724 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.200 -9.748 -5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.087 -8.431 -5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.370 -10.520 -5.983 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.745 -10.821 -7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.140 -9.373 -8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.596 -8.537 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.264 -8.245 -6.826 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.496 -12.715 -2.759 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.575 -13.793 -3.104 1.00 0.00 C ATOM 1307 C VAL A 81 -5.432 -14.799 -1.964 1.00 0.00 C ATOM 1308 O VAL A 81 -4.925 -15.903 -2.162 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.181 -13.253 -3.480 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.273 -12.331 -4.686 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.544 -12.535 -2.299 1.00 0.00 C ATOM 0 H VAL A 81 -6.063 -11.795 -2.685 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.005 -14.297 -3.970 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.546 -14.099 -3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.279 -11.960 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.679 -12.881 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.926 -11.490 -4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.561 -12.162 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.175 -11.699 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.439 -13.229 -1.465 1.00 0.00 H new