USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=17 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 38 CYS SG : rot 143:sc= -1.38 USER MOD Set 1.2: A 41 CYS SG : rot -37:sc= -0.736 USER MOD Set 1.3: A 65 HIS : no HE2:sc= -8.82! C(o=-19!,f=-14!) USER MOD Set 1.4: A 68 HIS : no HD1:sc= -8.22! C(o=-19!,f=-18!) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -7.77! C(o=-14!,f=-16!) USER MOD Set 2.2: A 57 CYS SG : rot 60:sc= -0.235 USER MOD Set 2.3: A 60 CYS SG : rot -44:sc= -1.55 USER MOD Set 2.4: A 79 CYS SG : rot 97:sc= -4.44! USER MOD Set 3.1: A 22 HIS : no HD1:sc= -0.103 X(o=-3,f=-3.3) USER MOD Set 3.2: A 69 MET CE :methyl 138:sc= -2.89! (180deg=-2.87) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 140:sc= 0.286 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 32 TYR OH : rot 126:sc= -1.87 USER MOD Single : A 33 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.22) USER MOD Single : A 36 THR OG1 : rot 172:sc= 1.18 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 42 MET CE :methyl 147:sc= -0.167 (180deg=-0.919) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.437 K(o=-0.44,f=-1.7) USER MOD Single : A 48 MET CE :methyl -156:sc= -0.422 (180deg=-1.58!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0635 X(o=-0.063,f=-0.37) USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0882) USER MOD Single : A 64 CYS SG : rot -23:sc= 0.0174 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 6.991 -2.730 8.497 1.00 0.00 N ATOM 268 CA ASN A 18 5.995 -3.516 9.218 1.00 0.00 C ATOM 269 C ASN A 18 4.829 -3.876 8.305 1.00 0.00 C ATOM 270 O ASN A 18 4.764 -3.431 7.161 1.00 0.00 O ATOM 271 CB ASN A 18 5.489 -2.743 10.437 1.00 0.00 C ATOM 272 CG ASN A 18 6.093 -3.249 11.734 1.00 0.00 C ATOM 273 OD1 ASN A 18 5.376 -3.600 12.670 1.00 0.00 O ATOM 274 ND2 ASN A 18 7.419 -3.286 11.793 1.00 0.00 N ATOM 0 HA ASN A 18 6.467 -4.438 9.556 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.726 -1.686 10.317 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.403 -2.823 10.489 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.883 -3.616 12.640 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.974 -2.985 10.992 1.00 0.00 H new ATOM 281 N TYR A 19 3.908 -4.688 8.816 1.00 0.00 N ATOM 282 CA TYR A 19 2.746 -5.105 8.038 1.00 0.00 C ATOM 283 C TYR A 19 1.460 -4.928 8.841 1.00 0.00 C ATOM 284 O TYR A 19 1.283 -5.543 9.892 1.00 0.00 O ATOM 285 CB TYR A 19 2.883 -6.564 7.588 1.00 0.00 C ATOM 286 CG TYR A 19 4.291 -7.110 7.672 1.00 0.00 C ATOM 287 CD1 TYR A 19 4.873 -7.397 8.902 1.00 0.00 C ATOM 288 CD2 TYR A 19 5.039 -7.341 6.524 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.160 -7.895 8.983 1.00 0.00 C ATOM 290 CE2 TYR A 19 6.326 -7.840 6.597 1.00 0.00 C ATOM 291 CZ TYR A 19 6.881 -8.116 7.829 1.00 0.00 C ATOM 292 OH TYR A 19 8.162 -8.612 7.907 1.00 0.00 O ATOM 0 H TYR A 19 3.943 -5.069 9.762 1.00 0.00 H new ATOM 0 HA TYR A 19 2.696 -4.470 7.154 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.228 -7.184 8.200 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.533 -6.649 6.559 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.311 -7.228 9.808 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.607 -7.127 5.558 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.599 -8.110 9.946 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.894 -8.013 5.695 1.00 0.00 H new ATOM 0 HH TYR A 19 8.530 -8.711 7.004 1.00 0.00 H new ATOM 302 N ILE A 20 0.568 -4.087 8.333 1.00 0.00 N ATOM 303 CA ILE A 20 -0.703 -3.824 8.990 1.00 0.00 C ATOM 304 C ILE A 20 -1.675 -4.984 8.788 1.00 0.00 C ATOM 305 O ILE A 20 -2.181 -5.199 7.687 1.00 0.00 O ATOM 306 CB ILE A 20 -1.345 -2.524 8.456 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.509 -1.312 8.867 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.778 -2.380 8.954 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.613 -0.997 7.901 1.00 0.00 C ATOM 0 H ILE A 20 0.704 -3.573 7.462 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.499 -3.710 10.055 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.370 -2.577 7.368 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.161 -0.442 8.950 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.087 -1.490 9.856 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.208 -1.457 8.564 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.369 -3.229 8.611 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.783 -2.351 10.044 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.164 -0.126 8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.287 -1.851 7.835 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.197 -0.787 6.916 1.00 0.00 H new ATOM 321 N CYS A 21 -1.937 -5.721 9.862 1.00 0.00 N ATOM 322 CA CYS A 21 -2.856 -6.852 9.806 1.00 0.00 C ATOM 323 C CYS A 21 -4.299 -6.366 9.871 1.00 0.00 C ATOM 324 O CYS A 21 -4.640 -5.514 10.692 1.00 0.00 O ATOM 325 CB CYS A 21 -2.577 -7.822 10.957 1.00 0.00 C ATOM 326 SG CYS A 21 -1.432 -9.156 10.535 1.00 0.00 S ATOM 0 H CYS A 21 -1.526 -5.556 10.781 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.704 -7.374 8.862 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.171 -7.262 11.800 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.520 -8.258 11.288 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.257 -9.922 11.571 1.00 0.00 H new ATOM 332 N HIS A 22 -5.144 -6.906 9.001 1.00 0.00 N ATOM 333 CA HIS A 22 -6.547 -6.515 8.963 1.00 0.00 C ATOM 334 C HIS A 22 -7.372 -7.493 8.131 1.00 0.00 C ATOM 335 O HIS A 22 -7.242 -7.541 6.909 1.00 0.00 O ATOM 336 CB HIS A 22 -6.689 -5.104 8.392 1.00 0.00 C ATOM 337 CG HIS A 22 -7.967 -4.429 8.780 1.00 0.00 C ATOM 338 ND1 HIS A 22 -8.539 -4.557 10.028 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.789 -3.615 8.075 1.00 0.00 C ATOM 340 CE1 HIS A 22 -9.655 -3.853 10.075 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.829 -3.271 8.903 1.00 0.00 N ATOM 0 H HIS A 22 -4.883 -7.614 8.314 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.924 -6.531 9.985 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.849 -4.497 8.731 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.629 -5.153 7.305 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.652 -3.296 7.052 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.313 -3.768 10.927 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.610 -2.664 8.653 1.00 0.00 H new ATOM 350 N LYS A 23 -8.229 -8.256 8.808 1.00 0.00 N ATOM 351 CA LYS A 23 -9.108 -9.236 8.158 1.00 0.00 C ATOM 352 C LYS A 23 -8.503 -9.822 6.881 1.00 0.00 C ATOM 353 O LYS A 23 -8.851 -9.412 5.775 1.00 0.00 O ATOM 354 CB LYS A 23 -10.462 -8.601 7.837 1.00 0.00 C ATOM 355 CG LYS A 23 -10.369 -7.138 7.432 1.00 0.00 C ATOM 356 CD LYS A 23 -11.467 -6.758 6.454 1.00 0.00 C ATOM 357 CE LYS A 23 -12.849 -7.003 7.037 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.751 -5.835 6.837 1.00 0.00 N ATOM 0 H LYS A 23 -8.336 -8.215 9.822 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.236 -10.057 8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.935 -9.163 7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.110 -8.687 8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.438 -6.509 8.320 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.396 -6.946 6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.367 -5.706 6.185 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.352 -7.334 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.288 -7.885 6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.761 -7.216 8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.704 -6.171 6.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.796 -5.277 7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.384 -5.241 6.067 1.00 0.00 H new ATOM 372 N GLY A 24 -7.610 -10.791 7.042 1.00 0.00 N ATOM 373 CA GLY A 24 -6.989 -11.427 5.890 1.00 0.00 C ATOM 374 C GLY A 24 -6.152 -10.479 5.054 1.00 0.00 C ATOM 375 O GLY A 24 -5.756 -10.826 3.943 1.00 0.00 O ATOM 0 H GLY A 24 -7.304 -11.149 7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.360 -12.248 6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.767 -11.862 5.262 1.00 0.00 H new ATOM 379 N HIS A 25 -5.874 -9.286 5.573 1.00 0.00 N ATOM 380 CA HIS A 25 -5.077 -8.317 4.833 1.00 0.00 C ATOM 381 C HIS A 25 -3.859 -7.856 5.625 1.00 0.00 C ATOM 382 O HIS A 25 -3.956 -7.526 6.805 1.00 0.00 O ATOM 383 CB HIS A 25 -5.932 -7.112 4.417 1.00 0.00 C ATOM 384 CG HIS A 25 -6.002 -6.951 2.936 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.920 -6.167 2.266 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.247 -7.536 1.984 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.691 -6.310 0.949 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.683 -7.133 0.738 1.00 0.00 N ATOM 0 H HIS A 25 -6.185 -8.971 6.492 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.715 -8.818 3.935 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.940 -7.230 4.815 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.518 -6.206 4.859 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.428 -8.215 2.168 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.255 -5.818 0.171 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.302 -7.415 -0.165 1.00 0.00 H new ATOM 396 N GLU A 26 -2.710 -7.832 4.953 1.00 0.00 N ATOM 397 CA GLU A 26 -1.463 -7.406 5.576 1.00 0.00 C ATOM 398 C GLU A 26 -0.852 -6.246 4.795 1.00 0.00 C ATOM 399 O GLU A 26 0.150 -6.409 4.098 1.00 0.00 O ATOM 400 CB GLU A 26 -0.478 -8.576 5.650 1.00 0.00 C ATOM 401 CG GLU A 26 -0.250 -9.090 7.062 1.00 0.00 C ATOM 402 CD GLU A 26 1.160 -9.608 7.272 1.00 0.00 C ATOM 403 OE1 GLU A 26 2.095 -9.044 6.667 1.00 0.00 O ATOM 404 OE2 GLU A 26 1.327 -10.578 8.041 1.00 0.00 O ATOM 0 H GLU A 26 -2.619 -8.104 3.974 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.677 -7.069 6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.849 -9.392 5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.477 -8.264 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.449 -8.288 7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.962 -9.888 7.274 1.00 0.00 H new ATOM 411 N PHE A 27 -1.467 -5.075 4.915 1.00 0.00 N ATOM 412 CA PHE A 27 -0.991 -3.886 4.218 1.00 0.00 C ATOM 413 C PHE A 27 0.402 -3.498 4.692 1.00 0.00 C ATOM 414 O PHE A 27 0.845 -3.915 5.760 1.00 0.00 O ATOM 415 CB PHE A 27 -1.957 -2.716 4.413 1.00 0.00 C ATOM 416 CG PHE A 27 -3.406 -3.112 4.376 1.00 0.00 C ATOM 417 CD1 PHE A 27 -4.007 -3.475 3.181 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.167 -3.120 5.534 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.339 -3.838 3.142 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.501 -3.482 5.501 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.088 -3.841 4.303 1.00 0.00 C ATOM 0 H PHE A 27 -2.297 -4.923 5.489 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.942 -4.123 3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.745 -2.238 5.369 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.773 -1.973 3.637 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.427 -3.474 2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.713 -2.840 6.473 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.795 -4.119 2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.083 -3.484 6.411 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.130 -4.123 4.274 1.00 0.00 H new ATOM 431 N ILE A 28 1.095 -2.714 3.879 1.00 0.00 N ATOM 432 CA ILE A 28 2.446 -2.282 4.205 1.00 0.00 C ATOM 433 C ILE A 28 2.590 -0.772 4.070 1.00 0.00 C ATOM 434 O ILE A 28 2.170 -0.185 3.072 1.00 0.00 O ATOM 435 CB ILE A 28 3.482 -2.965 3.293 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.110 -4.437 3.068 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.877 -2.839 3.889 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.455 -5.342 4.230 1.00 0.00 C ATOM 0 H ILE A 28 0.743 -2.364 2.988 1.00 0.00 H new ATOM 0 HA ILE A 28 2.630 -2.569 5.240 1.00 0.00 H new ATOM 0 HB ILE A 28 3.480 -2.464 2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.040 -4.505 2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.621 -4.798 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.598 -3.327 3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.135 -1.785 3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.898 -3.315 4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.161 -6.365 3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.529 -5.306 4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.924 -5.008 5.121 1.00 0.00 H new ATOM 450 N PRO A 29 3.193 -0.117 5.076 1.00 0.00 N ATOM 451 CA PRO A 29 3.392 1.332 5.063 1.00 0.00 C ATOM 452 C PRO A 29 4.398 1.769 4.012 1.00 0.00 C ATOM 453 O PRO A 29 5.588 1.469 4.112 1.00 0.00 O ATOM 454 CB PRO A 29 3.924 1.633 6.464 1.00 0.00 C ATOM 455 CG PRO A 29 4.541 0.359 6.922 1.00 0.00 C ATOM 456 CD PRO A 29 3.727 -0.740 6.301 1.00 0.00 C ATOM 0 HA PRO A 29 2.473 1.864 4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.655 2.441 6.444 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.122 1.946 7.132 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.584 0.296 6.611 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.528 0.288 8.010 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.338 -1.614 6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.928 -1.073 6.964 1.00 0.00 H new ATOM 464 N THR A 30 3.913 2.478 3.002 1.00 0.00 N ATOM 465 CA THR A 30 4.773 2.955 1.932 1.00 0.00 C ATOM 466 C THR A 30 4.198 4.216 1.291 1.00 0.00 C ATOM 467 O THR A 30 3.034 4.556 1.501 1.00 0.00 O ATOM 468 CB THR A 30 4.949 1.868 0.873 1.00 0.00 C ATOM 469 OG1 THR A 30 5.856 2.284 -0.133 1.00 0.00 O ATOM 470 CG2 THR A 30 3.652 1.484 0.191 1.00 0.00 C ATOM 0 H THR A 30 2.931 2.734 2.903 1.00 0.00 H new ATOM 0 HA THR A 30 5.745 3.199 2.361 1.00 0.00 H new ATOM 0 HB THR A 30 5.331 1.001 1.412 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.955 1.572 -0.799 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.846 0.708 -0.549 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.948 1.109 0.934 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.228 2.358 -0.302 1.00 0.00 H new ATOM 478 N LEU A 31 5.022 4.902 0.505 1.00 0.00 N ATOM 479 CA LEU A 31 4.597 6.120 -0.173 1.00 0.00 C ATOM 480 C LEU A 31 4.513 5.893 -1.678 1.00 0.00 C ATOM 481 O LEU A 31 5.163 4.997 -2.217 1.00 0.00 O ATOM 482 CB LEU A 31 5.567 7.261 0.132 1.00 0.00 C ATOM 483 CG LEU A 31 5.701 7.618 1.613 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.627 8.810 1.793 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.335 7.905 2.217 1.00 0.00 C ATOM 0 H LEU A 31 5.989 4.634 0.322 1.00 0.00 H new ATOM 0 HA LEU A 31 3.607 6.391 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.551 6.993 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.243 8.148 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 31 6.135 6.765 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.710 9.049 2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.613 8.568 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.223 9.669 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.449 8.157 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.873 8.741 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.702 7.023 2.121 1.00 0.00 H new ATOM 497 N TYR A 32 3.708 6.705 -2.353 1.00 0.00 N ATOM 498 CA TYR A 32 3.541 6.585 -3.797 1.00 0.00 C ATOM 499 C TYR A 32 3.556 7.955 -4.465 1.00 0.00 C ATOM 500 O TYR A 32 2.638 8.755 -4.288 1.00 0.00 O ATOM 501 CB TYR A 32 2.235 5.858 -4.119 1.00 0.00 C ATOM 502 CG TYR A 32 2.334 4.354 -3.992 1.00 0.00 C ATOM 503 CD1 TYR A 32 2.710 3.570 -5.075 1.00 0.00 C ATOM 504 CD2 TYR A 32 2.055 3.719 -2.788 1.00 0.00 C ATOM 505 CE1 TYR A 32 2.805 2.195 -4.962 1.00 0.00 C ATOM 506 CE2 TYR A 32 2.147 2.345 -2.667 1.00 0.00 C ATOM 507 CZ TYR A 32 2.523 1.588 -3.757 1.00 0.00 C ATOM 508 OH TYR A 32 2.616 0.220 -3.641 1.00 0.00 O ATOM 0 H TYR A 32 3.161 7.452 -1.925 1.00 0.00 H new ATOM 0 HA TYR A 32 4.377 6.006 -4.188 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.453 6.220 -3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.929 6.110 -5.135 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.932 4.042 -6.021 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.761 4.309 -1.932 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.099 1.600 -5.814 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.926 1.867 -1.724 1.00 0.00 H new ATOM 0 HH TYR A 32 3.205 -0.005 -2.891 1.00 0.00 H new ATOM 518 N HIS A 33 4.604 8.214 -5.241 1.00 0.00 N ATOM 519 CA HIS A 33 4.741 9.484 -5.943 1.00 0.00 C ATOM 520 C HIS A 33 3.991 9.460 -7.273 1.00 0.00 C ATOM 521 O HIS A 33 3.686 10.509 -7.843 1.00 0.00 O ATOM 522 CB HIS A 33 6.220 9.801 -6.182 1.00 0.00 C ATOM 523 CG HIS A 33 6.671 11.073 -5.536 1.00 0.00 C ATOM 524 ND1 HIS A 33 6.972 12.216 -6.250 1.00 0.00 N ATOM 525 CD2 HIS A 33 6.874 11.383 -4.233 1.00 0.00 C ATOM 526 CE1 HIS A 33 7.340 13.170 -5.414 1.00 0.00 C ATOM 527 NE2 HIS A 33 7.288 12.691 -4.185 1.00 0.00 N ATOM 0 H HIS A 33 5.371 7.560 -5.399 1.00 0.00 H new ATOM 0 HA HIS A 33 4.305 10.263 -5.318 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.825 8.977 -5.805 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.401 9.864 -7.255 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.736 10.724 -3.389 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.634 14.172 -5.689 1.00 0.00 H new ATOM 0 HE2 HIS A 33 7.518 13.209 -3.337 1.00 0.00 H new ATOM 536 N PHE A 34 3.694 8.260 -7.765 1.00 0.00 N ATOM 537 CA PHE A 34 2.978 8.109 -9.026 1.00 0.00 C ATOM 538 C PHE A 34 1.481 7.947 -8.783 1.00 0.00 C ATOM 539 O PHE A 34 1.046 7.761 -7.648 1.00 0.00 O ATOM 540 CB PHE A 34 3.509 6.905 -9.810 1.00 0.00 C ATOM 541 CG PHE A 34 4.994 6.710 -9.690 1.00 0.00 C ATOM 542 CD1 PHE A 34 5.872 7.574 -10.325 1.00 0.00 C ATOM 543 CD2 PHE A 34 5.511 5.664 -8.946 1.00 0.00 C ATOM 544 CE1 PHE A 34 7.238 7.398 -10.219 1.00 0.00 C ATOM 545 CE2 PHE A 34 6.878 5.481 -8.835 1.00 0.00 C ATOM 546 CZ PHE A 34 7.742 6.350 -9.473 1.00 0.00 C ATOM 0 H PHE A 34 3.938 7.380 -7.310 1.00 0.00 H new ATOM 0 HA PHE A 34 3.143 9.013 -9.613 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.004 6.004 -9.460 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.252 7.026 -10.862 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.484 8.395 -10.910 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.839 4.982 -8.446 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.911 8.079 -10.719 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.269 4.661 -8.251 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.810 6.210 -9.389 1.00 0.00 H new ATOM 556 N PRO A 35 0.671 8.019 -9.851 1.00 0.00 N ATOM 557 CA PRO A 35 -0.787 7.885 -9.753 1.00 0.00 C ATOM 558 C PRO A 35 -1.219 6.490 -9.311 1.00 0.00 C ATOM 559 O PRO A 35 -1.284 5.565 -10.121 1.00 0.00 O ATOM 560 CB PRO A 35 -1.279 8.166 -11.181 1.00 0.00 C ATOM 561 CG PRO A 35 -0.126 8.806 -11.879 1.00 0.00 C ATOM 562 CD PRO A 35 1.107 8.242 -11.236 1.00 0.00 C ATOM 0 HA PRO A 35 -1.200 8.562 -9.005 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.579 7.245 -11.681 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.148 8.823 -11.175 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.145 8.587 -12.947 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.160 9.891 -11.775 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.427 7.316 -11.715 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.946 8.935 -11.290 1.00 0.00 H new ATOM 570 N THR A 36 -1.524 6.348 -8.024 1.00 0.00 N ATOM 571 CA THR A 36 -1.962 5.069 -7.480 1.00 0.00 C ATOM 572 C THR A 36 -3.413 5.166 -7.012 1.00 0.00 C ATOM 573 O THR A 36 -3.815 6.162 -6.414 1.00 0.00 O ATOM 574 CB THR A 36 -1.046 4.638 -6.327 1.00 0.00 C ATOM 575 OG1 THR A 36 0.226 4.256 -6.816 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.591 3.477 -5.521 1.00 0.00 C ATOM 0 H THR A 36 -1.476 7.103 -7.340 1.00 0.00 H new ATOM 0 HA THR A 36 -1.902 4.313 -8.263 1.00 0.00 H new ATOM 0 HB THR A 36 -0.979 5.509 -5.675 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.837 4.113 -6.063 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.891 3.227 -4.724 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.552 3.755 -5.087 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.723 2.613 -6.172 1.00 0.00 H new ATOM 584 N ASN A 37 -4.196 4.132 -7.301 1.00 0.00 N ATOM 585 CA ASN A 37 -5.603 4.112 -6.917 1.00 0.00 C ATOM 586 C ASN A 37 -5.821 3.298 -5.647 1.00 0.00 C ATOM 587 O ASN A 37 -5.223 2.236 -5.466 1.00 0.00 O ATOM 588 CB ASN A 37 -6.453 3.542 -8.052 1.00 0.00 C ATOM 589 CG ASN A 37 -6.307 4.331 -9.339 1.00 0.00 C ATOM 590 OD1 ASN A 37 -6.199 5.558 -9.319 1.00 0.00 O ATOM 591 ND2 ASN A 37 -6.307 3.631 -10.467 1.00 0.00 N ATOM 0 H ASN A 37 -3.881 3.299 -7.798 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.908 5.139 -6.718 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.167 2.505 -8.231 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.500 3.536 -7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.215 4.109 -11.364 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.399 2.616 -10.437 1.00 0.00 H new ATOM 598 N CYS A 38 -6.688 3.799 -4.773 1.00 0.00 N ATOM 599 CA CYS A 38 -6.997 3.119 -3.521 1.00 0.00 C ATOM 600 C CYS A 38 -8.120 2.105 -3.730 1.00 0.00 C ATOM 601 O CYS A 38 -9.067 2.355 -4.475 1.00 0.00 O ATOM 602 CB CYS A 38 -7.378 4.147 -2.444 1.00 0.00 C ATOM 603 SG CYS A 38 -8.487 3.521 -1.136 1.00 0.00 S ATOM 0 H CYS A 38 -7.190 4.676 -4.910 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.113 2.578 -3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.465 4.518 -1.978 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.857 4.998 -2.929 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.153 4.047 0.005 1.00 0.00 H new ATOM 608 N GLU A 39 -8.002 0.955 -3.073 1.00 0.00 N ATOM 609 CA GLU A 39 -9.002 -0.101 -3.192 1.00 0.00 C ATOM 610 C GLU A 39 -10.220 0.192 -2.320 1.00 0.00 C ATOM 611 O GLU A 39 -11.355 -0.075 -2.715 1.00 0.00 O ATOM 612 CB GLU A 39 -8.393 -1.453 -2.807 1.00 0.00 C ATOM 613 CG GLU A 39 -8.367 -2.456 -3.947 1.00 0.00 C ATOM 614 CD GLU A 39 -9.755 -2.800 -4.453 1.00 0.00 C ATOM 615 OE1 GLU A 39 -10.310 -2.011 -5.245 1.00 0.00 O ATOM 616 OE2 GLU A 39 -10.285 -3.859 -4.056 1.00 0.00 O ATOM 0 H GLU A 39 -7.224 0.731 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.329 -0.139 -4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.375 -1.295 -2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.960 -1.874 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.775 -2.052 -4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.870 -3.367 -3.613 1.00 0.00 H new ATOM 623 N ALA A 40 -9.977 0.733 -1.131 1.00 0.00 N ATOM 624 CA ALA A 40 -11.057 1.055 -0.202 1.00 0.00 C ATOM 625 C ALA A 40 -12.093 1.975 -0.849 1.00 0.00 C ATOM 626 O ALA A 40 -13.109 1.511 -1.366 1.00 0.00 O ATOM 627 CB ALA A 40 -10.491 1.684 1.064 1.00 0.00 C ATOM 0 H ALA A 40 -9.043 0.958 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.564 0.127 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.306 1.920 1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.805 0.985 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.956 2.599 0.808 1.00 0.00 H new ATOM 633 N CYS A 41 -11.830 3.279 -0.818 1.00 0.00 N ATOM 634 CA CYS A 41 -12.742 4.255 -1.401 1.00 0.00 C ATOM 635 C CYS A 41 -12.485 4.418 -2.896 1.00 0.00 C ATOM 636 O CYS A 41 -11.763 3.624 -3.502 1.00 0.00 O ATOM 637 CB CYS A 41 -12.598 5.605 -0.690 1.00 0.00 C ATOM 638 SG CYS A 41 -11.035 6.475 -1.035 1.00 0.00 S ATOM 0 H CYS A 41 -10.994 3.682 -0.396 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.761 3.890 -1.268 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.429 6.247 -0.983 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.682 5.446 0.385 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.067 5.611 -1.121 1.00 0.00 H new ATOM 643 N MET A 42 -13.080 5.449 -3.486 1.00 0.00 N ATOM 644 CA MET A 42 -12.917 5.715 -4.911 1.00 0.00 C ATOM 645 C MET A 42 -11.861 6.791 -5.153 1.00 0.00 C ATOM 646 O MET A 42 -11.274 6.866 -6.231 1.00 0.00 O ATOM 647 CB MET A 42 -14.250 6.146 -5.526 1.00 0.00 C ATOM 648 CG MET A 42 -15.189 4.986 -5.813 1.00 0.00 C ATOM 649 SD MET A 42 -14.798 4.142 -7.359 1.00 0.00 S ATOM 650 CE MET A 42 -13.928 2.701 -6.745 1.00 0.00 C ATOM 0 H MET A 42 -13.680 6.115 -2.999 1.00 0.00 H new ATOM 0 HA MET A 42 -12.583 4.794 -5.388 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.744 6.844 -4.850 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.056 6.684 -6.454 1.00 0.00 H new ATOM 0 HG2 MET A 42 -15.140 4.272 -4.991 1.00 0.00 H new ATOM 0 HG3 MET A 42 -16.214 5.355 -5.854 1.00 0.00 H new ATOM 0 HE1 MET A 42 -14.125 1.851 -7.398 1.00 0.00 H new ATOM 0 HE2 MET A 42 -12.857 2.903 -6.726 1.00 0.00 H new ATOM 0 HE3 MET A 42 -14.272 2.471 -5.737 1.00 0.00 H new ATOM 660 N LYS A 43 -11.626 7.626 -4.143 1.00 0.00 N ATOM 661 CA LYS A 43 -10.641 8.699 -4.249 1.00 0.00 C ATOM 662 C LYS A 43 -9.275 8.152 -4.662 1.00 0.00 C ATOM 663 O LYS A 43 -8.955 6.993 -4.398 1.00 0.00 O ATOM 664 CB LYS A 43 -10.526 9.445 -2.917 1.00 0.00 C ATOM 665 CG LYS A 43 -11.050 10.872 -2.973 1.00 0.00 C ATOM 666 CD LYS A 43 -9.994 11.874 -2.531 1.00 0.00 C ATOM 667 CE LYS A 43 -10.058 13.151 -3.354 1.00 0.00 C ATOM 668 NZ LYS A 43 -8.852 13.999 -3.156 1.00 0.00 N ATOM 0 H LYS A 43 -12.104 7.580 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.978 9.393 -5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.075 8.895 -2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.481 9.462 -2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.369 11.103 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.929 10.963 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.135 12.112 -1.477 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.004 11.427 -2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.155 12.898 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.948 13.716 -3.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.934 14.860 -3.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.773 14.262 -2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.004 13.469 -3.443 1.00 0.00 H new ATOM 682 N PRO A 44 -8.451 8.983 -5.322 1.00 0.00 N ATOM 683 CA PRO A 44 -7.116 8.580 -5.773 1.00 0.00 C ATOM 684 C PRO A 44 -6.143 8.393 -4.614 1.00 0.00 C ATOM 685 O PRO A 44 -6.494 8.608 -3.453 1.00 0.00 O ATOM 686 CB PRO A 44 -6.672 9.745 -6.659 1.00 0.00 C ATOM 687 CG PRO A 44 -7.432 10.919 -6.148 1.00 0.00 C ATOM 688 CD PRO A 44 -8.756 10.382 -5.679 1.00 0.00 C ATOM 0 HA PRO A 44 -7.134 7.619 -6.287 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.597 9.908 -6.589 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.898 9.553 -7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.897 11.405 -5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.569 11.666 -6.930 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.136 10.941 -4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.513 10.441 -6.461 1.00 0.00 H new ATOM 696 N LEU A 45 -4.918 7.990 -4.936 1.00 0.00 N ATOM 697 CA LEU A 45 -3.891 7.774 -3.924 1.00 0.00 C ATOM 698 C LEU A 45 -2.505 8.083 -4.483 1.00 0.00 C ATOM 699 O LEU A 45 -1.951 7.302 -5.256 1.00 0.00 O ATOM 700 CB LEU A 45 -3.943 6.331 -3.415 1.00 0.00 C ATOM 701 CG LEU A 45 -2.875 5.966 -2.382 1.00 0.00 C ATOM 702 CD1 LEU A 45 -2.921 6.925 -1.205 1.00 0.00 C ATOM 703 CD2 LEU A 45 -3.060 4.534 -1.906 1.00 0.00 C ATOM 0 H LEU A 45 -4.612 7.806 -5.892 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.085 8.451 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.925 6.152 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.846 5.658 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.897 6.049 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.154 6.649 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.740 7.941 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.902 6.874 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.291 4.292 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.044 4.426 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.977 3.855 -2.755 1.00 0.00 H new ATOM 715 N TRP A 46 -1.950 9.230 -4.089 1.00 0.00 N ATOM 716 CA TRP A 46 -0.627 9.650 -4.545 1.00 0.00 C ATOM 717 C TRP A 46 -0.354 11.100 -4.158 1.00 0.00 C ATOM 718 O TRP A 46 -1.182 11.748 -3.518 1.00 0.00 O ATOM 719 CB TRP A 46 -0.493 9.494 -6.064 1.00 0.00 C ATOM 720 CG TRP A 46 -1.555 10.218 -6.832 1.00 0.00 C ATOM 721 CD1 TRP A 46 -2.822 9.780 -7.091 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.443 11.508 -7.444 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.505 10.719 -7.825 1.00 0.00 N ATOM 724 CE2 TRP A 46 -2.681 11.789 -8.055 1.00 0.00 C ATOM 725 CE3 TRP A 46 -0.418 12.453 -7.533 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -2.918 12.975 -8.744 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -0.655 13.631 -8.218 1.00 0.00 C ATOM 728 CH2 TRP A 46 -1.896 13.883 -8.816 1.00 0.00 C ATOM 0 H TRP A 46 -2.400 9.887 -3.452 1.00 0.00 H new ATOM 0 HA TRP A 46 0.106 9.007 -4.058 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.485 9.862 -6.375 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.530 8.435 -6.318 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.228 8.833 -6.766 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.469 10.633 -8.147 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.542 12.267 -7.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.874 13.172 -9.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 0.130 14.369 -8.293 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.050 14.812 -9.345 1.00 0.00 H new ATOM 739 N HIS A 47 0.810 11.604 -4.556 1.00 0.00 N ATOM 740 CA HIS A 47 1.196 12.981 -4.259 1.00 0.00 C ATOM 741 C HIS A 47 2.597 13.275 -4.786 1.00 0.00 C ATOM 742 O HIS A 47 3.515 12.473 -4.615 1.00 0.00 O ATOM 743 CB HIS A 47 1.139 13.242 -2.752 1.00 0.00 C ATOM 744 CG HIS A 47 0.506 14.553 -2.398 1.00 0.00 C ATOM 745 ND1 HIS A 47 -0.087 14.798 -1.177 1.00 0.00 N ATOM 746 CD2 HIS A 47 0.379 15.695 -3.113 1.00 0.00 C ATOM 747 CE1 HIS A 47 -0.555 16.035 -1.160 1.00 0.00 C ATOM 748 NE2 HIS A 47 -0.284 16.599 -2.321 1.00 0.00 N ATOM 0 H HIS A 47 1.505 11.078 -5.087 1.00 0.00 H new ATOM 0 HA HIS A 47 0.490 13.644 -4.758 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.582 12.437 -2.272 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.151 13.215 -2.348 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.733 15.864 -4.119 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.071 16.504 -0.335 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.528 17.553 -2.587 1.00 0.00 H new ATOM 757 N MET A 48 2.752 14.426 -5.431 1.00 0.00 N ATOM 758 CA MET A 48 4.040 14.824 -5.984 1.00 0.00 C ATOM 759 C MET A 48 4.835 15.650 -4.979 1.00 0.00 C ATOM 760 O MET A 48 6.065 15.608 -4.960 1.00 0.00 O ATOM 761 CB MET A 48 3.840 15.622 -7.274 1.00 0.00 C ATOM 762 CG MET A 48 3.320 14.787 -8.432 1.00 0.00 C ATOM 763 SD MET A 48 2.857 15.789 -9.858 1.00 0.00 S ATOM 764 CE MET A 48 1.729 16.956 -9.098 1.00 0.00 C ATOM 0 H MET A 48 2.001 15.099 -5.583 1.00 0.00 H new ATOM 0 HA MET A 48 4.605 13.919 -6.208 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.142 16.437 -7.083 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.789 16.076 -7.561 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.085 14.070 -8.730 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.455 14.212 -8.101 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.048 17.349 -9.853 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.156 16.453 -8.319 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.296 17.777 -8.659 1.00 0.00 H new ATOM 774 N PHE A 49 4.125 16.403 -4.145 1.00 0.00 N ATOM 775 CA PHE A 49 4.764 17.240 -3.139 1.00 0.00 C ATOM 776 C PHE A 49 5.053 16.446 -1.870 1.00 0.00 C ATOM 777 O PHE A 49 6.208 16.166 -1.549 1.00 0.00 O ATOM 778 CB PHE A 49 3.880 18.444 -2.808 1.00 0.00 C ATOM 779 CG PHE A 49 3.727 19.409 -3.949 1.00 0.00 C ATOM 780 CD1 PHE A 49 2.971 19.073 -5.060 1.00 0.00 C ATOM 781 CD2 PHE A 49 4.337 20.652 -3.908 1.00 0.00 C ATOM 782 CE1 PHE A 49 2.827 19.960 -6.111 1.00 0.00 C ATOM 783 CE2 PHE A 49 4.197 21.543 -4.955 1.00 0.00 C ATOM 784 CZ PHE A 49 3.441 21.196 -6.058 1.00 0.00 C ATOM 0 H PHE A 49 3.106 16.450 -4.147 1.00 0.00 H new ATOM 0 HA PHE A 49 5.710 17.593 -3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.894 18.089 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.303 18.970 -1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.489 18.108 -5.106 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.929 20.928 -3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.235 19.687 -6.972 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.678 22.509 -4.911 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.330 21.890 -6.878 1.00 0.00 H new ATOM 794 N LYS A 50 3.996 16.088 -1.149 1.00 0.00 N ATOM 795 CA LYS A 50 4.136 15.328 0.088 1.00 0.00 C ATOM 796 C LYS A 50 3.286 14.058 0.049 1.00 0.00 C ATOM 797 O LYS A 50 2.104 14.085 0.388 1.00 0.00 O ATOM 798 CB LYS A 50 3.728 16.188 1.285 1.00 0.00 C ATOM 799 CG LYS A 50 4.774 17.218 1.677 1.00 0.00 C ATOM 800 CD LYS A 50 6.053 16.556 2.170 1.00 0.00 C ATOM 801 CE LYS A 50 7.282 17.151 1.500 1.00 0.00 C ATOM 802 NZ LYS A 50 8.486 16.295 1.690 1.00 0.00 N ATOM 0 H LYS A 50 3.033 16.312 -1.400 1.00 0.00 H new ATOM 0 HA LYS A 50 5.182 15.040 0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.794 16.700 1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.531 15.539 2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.999 17.853 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.374 17.865 2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.133 16.675 3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.010 15.485 1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.090 17.276 0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.474 18.143 1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.302 16.735 1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.685 16.196 2.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.313 15.356 1.278 1.00 0.00 H new ATOM 816 N PRO A 51 3.879 12.924 -0.364 1.00 0.00 N ATOM 817 CA PRO A 51 3.166 11.644 -0.441 1.00 0.00 C ATOM 818 C PRO A 51 2.694 11.169 0.931 1.00 0.00 C ATOM 819 O PRO A 51 3.500 10.973 1.840 1.00 0.00 O ATOM 820 CB PRO A 51 4.206 10.677 -1.016 1.00 0.00 C ATOM 821 CG PRO A 51 5.523 11.314 -0.735 1.00 0.00 C ATOM 822 CD PRO A 51 5.287 12.796 -0.785 1.00 0.00 C ATOM 0 HA PRO A 51 2.264 11.718 -1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.134 9.696 -0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.059 10.530 -2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.902 11.012 0.242 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.267 11.013 -1.472 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.958 13.334 -0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.447 13.196 -1.786 1.00 0.00 H new ATOM 830 N PRO A 52 1.374 10.975 1.100 1.00 0.00 N ATOM 831 CA PRO A 52 0.801 10.522 2.369 1.00 0.00 C ATOM 832 C PRO A 52 1.127 9.060 2.662 1.00 0.00 C ATOM 833 O PRO A 52 1.377 8.276 1.747 1.00 0.00 O ATOM 834 CB PRO A 52 -0.704 10.702 2.163 1.00 0.00 C ATOM 835 CG PRO A 52 -0.898 10.600 0.690 1.00 0.00 C ATOM 836 CD PRO A 52 0.340 11.184 0.069 1.00 0.00 C ATOM 0 HA PRO A 52 1.198 11.079 3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.271 9.935 2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.043 11.666 2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.035 9.563 0.385 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.787 11.145 0.375 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.596 10.682 -0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.212 12.241 -0.163 1.00 0.00 H new ATOM 844 N PRO A 53 1.126 8.672 3.949 1.00 0.00 N ATOM 845 CA PRO A 53 1.420 7.295 4.356 1.00 0.00 C ATOM 846 C PRO A 53 0.395 6.307 3.814 1.00 0.00 C ATOM 847 O PRO A 53 -0.651 6.090 4.423 1.00 0.00 O ATOM 848 CB PRO A 53 1.357 7.346 5.886 1.00 0.00 C ATOM 849 CG PRO A 53 0.549 8.556 6.201 1.00 0.00 C ATOM 850 CD PRO A 53 0.834 9.538 5.103 1.00 0.00 C ATOM 0 HA PRO A 53 2.382 6.954 3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.894 6.446 6.292 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.355 7.414 6.320 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.513 8.316 6.244 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.823 8.966 7.173 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.019 10.189 4.913 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.678 10.182 5.347 1.00 0.00 H new ATOM 858 N ALA A 54 0.701 5.712 2.665 1.00 0.00 N ATOM 859 CA ALA A 54 -0.196 4.749 2.042 1.00 0.00 C ATOM 860 C ALA A 54 0.111 3.333 2.510 1.00 0.00 C ATOM 861 O ALA A 54 1.209 3.051 2.987 1.00 0.00 O ATOM 862 CB ALA A 54 -0.093 4.839 0.526 1.00 0.00 C ATOM 0 H ALA A 54 1.564 5.881 2.148 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.216 4.990 2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.768 4.114 0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.367 5.843 0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.930 4.625 0.217 1.00 0.00 H new ATOM 868 N LEU A 55 -0.868 2.444 2.376 1.00 0.00 N ATOM 869 CA LEU A 55 -0.697 1.057 2.789 1.00 0.00 C ATOM 870 C LEU A 55 -0.864 0.112 1.604 1.00 0.00 C ATOM 871 O LEU A 55 -1.966 -0.060 1.085 1.00 0.00 O ATOM 872 CB LEU A 55 -1.698 0.704 3.889 1.00 0.00 C ATOM 873 CG LEU A 55 -1.722 1.668 5.076 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.663 1.158 6.156 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.318 1.856 5.635 1.00 0.00 C ATOM 0 H LEU A 55 -1.785 2.659 1.986 1.00 0.00 H new ATOM 0 HA LEU A 55 0.314 0.941 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.696 0.665 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.472 -0.297 4.258 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.088 2.635 4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.668 1.856 6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.671 1.072 5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.326 0.180 6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.352 2.545 6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.073 0.894 5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.331 2.264 4.860 1.00 0.00 H new ATOM 887 N GLU A 56 0.241 -0.493 1.181 1.00 0.00 N ATOM 888 CA GLU A 56 0.227 -1.417 0.053 1.00 0.00 C ATOM 889 C GLU A 56 0.172 -2.866 0.525 1.00 0.00 C ATOM 890 O GLU A 56 0.947 -3.278 1.388 1.00 0.00 O ATOM 891 CB GLU A 56 1.468 -1.207 -0.816 1.00 0.00 C ATOM 892 CG GLU A 56 1.376 -1.870 -2.181 1.00 0.00 C ATOM 893 CD GLU A 56 2.714 -2.392 -2.666 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.754 -1.849 -2.237 1.00 0.00 O ATOM 895 OE2 GLU A 56 2.723 -3.343 -3.476 1.00 0.00 O ATOM 0 H GLU A 56 1.160 -0.359 1.604 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.668 -1.213 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.630 -0.138 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.339 -1.597 -0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.664 -2.694 -2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.986 -1.153 -2.904 1.00 0.00 H new ATOM 902 N CYS A 57 -0.743 -3.639 -0.052 1.00 0.00 N ATOM 903 CA CYS A 57 -0.888 -5.043 0.308 1.00 0.00 C ATOM 904 C CYS A 57 0.252 -5.867 -0.279 1.00 0.00 C ATOM 905 O CYS A 57 0.624 -5.695 -1.440 1.00 0.00 O ATOM 906 CB CYS A 57 -2.235 -5.582 -0.188 1.00 0.00 C ATOM 907 SG CYS A 57 -2.485 -7.362 0.110 1.00 0.00 S ATOM 0 H CYS A 57 -1.393 -3.317 -0.769 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.853 -5.125 1.394 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.037 -5.028 0.300 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.319 -5.389 -1.258 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.425 -7.601 1.386 1.00 0.00 H new ATOM 912 N ARG A 58 0.806 -6.764 0.531 1.00 0.00 N ATOM 913 CA ARG A 58 1.906 -7.614 0.090 1.00 0.00 C ATOM 914 C ARG A 58 1.392 -8.973 -0.379 1.00 0.00 C ATOM 915 O ARG A 58 2.083 -9.985 -0.262 1.00 0.00 O ATOM 916 CB ARG A 58 2.922 -7.796 1.221 1.00 0.00 C ATOM 917 CG ARG A 58 2.372 -8.563 2.414 1.00 0.00 C ATOM 918 CD ARG A 58 3.405 -8.687 3.524 1.00 0.00 C ATOM 919 NE ARG A 58 3.955 -10.038 3.614 1.00 0.00 N ATOM 920 CZ ARG A 58 5.020 -10.457 2.930 1.00 0.00 C ATOM 921 NH1 ARG A 58 5.656 -9.636 2.102 1.00 0.00 N ATOM 922 NH2 ARG A 58 5.451 -11.702 3.079 1.00 0.00 N ATOM 0 H ARG A 58 0.512 -6.921 1.495 1.00 0.00 H new ATOM 0 HA ARG A 58 2.396 -7.125 -0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.795 -8.321 0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.262 -6.815 1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.486 -8.056 2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.058 -9.557 2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.214 -7.978 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.948 -8.418 4.476 1.00 0.00 H new ATOM 0 HE ARG A 58 3.496 -10.701 4.238 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.331 -8.676 1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.470 -9.965 1.583 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.968 -12.336 3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.265 -12.026 2.557 1.00 0.00 H new ATOM 936 N ARG A 59 0.171 -8.986 -0.909 1.00 0.00 N ATOM 937 CA ARG A 59 -0.443 -10.214 -1.396 1.00 0.00 C ATOM 938 C ARG A 59 -1.088 -9.999 -2.767 1.00 0.00 C ATOM 939 O ARG A 59 -0.558 -10.440 -3.786 1.00 0.00 O ATOM 940 CB ARG A 59 -1.488 -10.717 -0.397 1.00 0.00 C ATOM 941 CG ARG A 59 -0.938 -10.928 1.006 1.00 0.00 C ATOM 942 CD ARG A 59 -1.903 -10.420 2.066 1.00 0.00 C ATOM 943 NE ARG A 59 -2.045 -11.363 3.173 1.00 0.00 N ATOM 944 CZ ARG A 59 -1.058 -11.686 4.004 1.00 0.00 C ATOM 945 NH1 ARG A 59 0.145 -11.143 3.858 1.00 0.00 N ATOM 946 NH2 ARG A 59 -1.273 -12.552 4.984 1.00 0.00 N ATOM 0 H ARG A 59 -0.413 -8.156 -1.011 1.00 0.00 H new ATOM 0 HA ARG A 59 0.340 -10.965 -1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.309 -10.002 -0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.903 -11.657 -0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.745 -11.989 1.167 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.017 -10.412 1.105 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.550 -9.462 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.879 -10.243 1.613 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.955 -11.800 3.317 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.315 -10.475 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.899 -11.394 4.498 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.196 -12.971 5.101 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.516 -12.800 5.621 1.00 0.00 H new ATOM 960 N CYS A 60 -2.233 -9.319 -2.785 1.00 0.00 N ATOM 961 CA CYS A 60 -2.943 -9.046 -4.033 1.00 0.00 C ATOM 962 C CYS A 60 -2.450 -7.754 -4.684 1.00 0.00 C ATOM 963 O CYS A 60 -2.735 -7.491 -5.852 1.00 0.00 O ATOM 964 CB CYS A 60 -4.453 -8.961 -3.783 1.00 0.00 C ATOM 965 SG CYS A 60 -4.978 -7.505 -2.823 1.00 0.00 S ATOM 0 H CYS A 60 -2.688 -8.948 -1.951 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.739 -9.871 -4.716 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.968 -8.952 -4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.773 -9.861 -3.258 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.172 -7.334 -1.818 1.00 0.00 H new ATOM 970 N HIS A 61 -1.708 -6.948 -3.923 1.00 0.00 N ATOM 971 CA HIS A 61 -1.173 -5.685 -4.427 1.00 0.00 C ATOM 972 C HIS A 61 -2.260 -4.617 -4.498 1.00 0.00 C ATOM 973 O HIS A 61 -2.928 -4.462 -5.521 1.00 0.00 O ATOM 974 CB HIS A 61 -0.538 -5.876 -5.807 1.00 0.00 C ATOM 975 CG HIS A 61 0.557 -4.899 -6.102 1.00 0.00 C ATOM 976 ND1 HIS A 61 0.334 -3.670 -6.685 1.00 0.00 N ATOM 977 CD2 HIS A 61 1.893 -4.976 -5.891 1.00 0.00 C ATOM 978 CE1 HIS A 61 1.484 -3.033 -6.821 1.00 0.00 C ATOM 979 NE2 HIS A 61 2.446 -3.804 -6.346 1.00 0.00 N ATOM 0 H HIS A 61 -1.464 -7.149 -2.953 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.405 -5.351 -3.729 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.140 -6.888 -5.878 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.311 -5.784 -6.570 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.424 -5.805 -5.447 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.615 -2.050 -7.248 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.438 -3.567 -6.321 1.00 0.00 H new ATOM 988 N ILE A 62 -2.427 -3.880 -3.405 1.00 0.00 N ATOM 989 CA ILE A 62 -3.425 -2.818 -3.335 1.00 0.00 C ATOM 990 C ILE A 62 -3.007 -1.753 -2.335 1.00 0.00 C ATOM 991 O ILE A 62 -2.576 -2.066 -1.227 1.00 0.00 O ATOM 992 CB ILE A 62 -4.810 -3.361 -2.933 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.752 -4.027 -1.557 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.312 -4.339 -3.979 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.724 -3.436 -0.559 1.00 0.00 C ATOM 0 H ILE A 62 -1.881 -3.999 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.494 -2.384 -4.332 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.507 -2.525 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.960 -5.091 -1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.740 -3.939 -1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.291 -4.716 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.392 -3.833 -4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.613 -5.171 -4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.628 -3.956 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.503 -2.378 -0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.742 -3.548 -0.933 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.129 -0.491 -2.726 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.752 0.603 -1.846 1.00 0.00 C ATOM 1009 C LYS A 63 -3.976 1.255 -1.214 1.00 0.00 C ATOM 1010 O LYS A 63 -5.036 1.341 -1.831 1.00 0.00 O ATOM 1011 CB LYS A 63 -1.948 1.656 -2.604 1.00 0.00 C ATOM 1012 CG LYS A 63 -0.756 1.094 -3.359 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.187 0.362 -4.619 1.00 0.00 C ATOM 1014 CE LYS A 63 -0.072 0.327 -5.652 1.00 0.00 C ATOM 1015 NZ LYS A 63 -0.601 0.146 -7.033 1.00 0.00 N ATOM 0 H LYS A 63 -3.483 -0.203 -3.638 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.134 0.182 -1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.606 2.163 -3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.597 2.409 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.076 1.904 -3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.203 0.412 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.482 -0.656 -4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.063 0.852 -5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.500 1.253 -5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.616 -0.485 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.126 -0.302 -7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.446 -0.459 -7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.852 1.073 -7.433 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.815 1.719 0.018 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.897 2.375 0.736 1.00 0.00 C ATOM 1031 C CYS A 64 -4.348 3.253 1.857 1.00 0.00 C ATOM 1032 O CYS A 64 -3.762 2.748 2.815 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.861 1.336 1.310 1.00 0.00 C ATOM 1034 SG CYS A 64 -5.048 -0.016 2.194 1.00 0.00 S ATOM 0 H CYS A 64 -2.942 1.652 0.542 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.437 3.009 0.032 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -6.554 1.834 1.988 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.455 0.919 0.497 1.00 0.00 H new ATOM 0 HG CYS A 64 -3.822 -0.131 1.778 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.531 4.569 1.726 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.046 5.532 2.726 1.00 0.00 C ATOM 1042 C HIS A 65 -4.076 4.959 4.132 1.00 0.00 C ATOM 1043 O HIS A 65 -5.074 4.376 4.558 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.871 6.834 2.736 1.00 0.00 C ATOM 1045 CG HIS A 65 -5.931 6.914 1.687 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -6.079 7.947 0.782 1.00 0.00 N ATOM 1047 CD2 HIS A 65 -6.942 6.065 1.449 1.00 0.00 C ATOM 1048 CE1 HIS A 65 -7.175 7.684 0.043 1.00 0.00 C ATOM 1049 NE2 HIS A 65 -7.730 6.546 0.418 1.00 0.00 N ATOM 0 H HIS A 65 -5.013 4.996 0.935 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.019 5.750 2.433 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.339 6.943 3.714 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.193 7.678 2.612 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.470 8.760 0.690 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.115 5.142 1.983 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.548 8.318 -0.748 1.00 0.00 H new ATOM 1057 N LYS A 66 -2.995 5.172 4.864 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.914 4.725 6.240 1.00 0.00 C ATOM 1059 C LYS A 66 -4.119 5.261 7.004 1.00 0.00 C ATOM 1060 O LYS A 66 -4.604 4.640 7.951 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.613 5.206 6.887 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.508 4.877 8.369 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.171 4.235 8.710 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.341 2.805 9.200 1.00 0.00 C ATOM 1065 NZ LYS A 66 0.028 2.661 10.636 1.00 0.00 N ATOM 0 H LYS A 66 -2.161 5.653 4.525 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.918 3.635 6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.769 4.756 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.530 6.285 6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.634 5.788 8.954 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.317 4.203 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.472 4.244 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.331 4.825 9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.376 2.494 9.058 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.277 2.139 8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.102 1.672 10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.023 2.934 10.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.579 3.277 11.214 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.594 6.431 6.572 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.743 7.079 7.195 1.00 0.00 C ATOM 1081 C ASP A 67 -6.910 6.110 7.363 1.00 0.00 C ATOM 1082 O ASP A 67 -7.539 6.072 8.420 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.184 8.285 6.363 1.00 0.00 C ATOM 1084 CG ASP A 67 -5.175 9.415 6.403 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -3.971 9.143 6.212 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -5.590 10.573 6.621 1.00 0.00 O ATOM 0 H ASP A 67 -4.196 6.949 5.789 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.437 7.414 8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.336 7.974 5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.144 8.646 6.732 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.207 5.327 6.324 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.319 4.371 6.406 1.00 0.00 C ATOM 1093 C HIS A 68 -8.168 3.460 7.622 1.00 0.00 C ATOM 1094 O HIS A 68 -9.112 3.267 8.388 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.427 3.512 5.142 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.035 4.231 3.980 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.028 5.181 4.088 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.719 4.170 2.666 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.271 5.663 2.861 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.500 5.082 1.963 1.00 0.00 N ATOM 0 H HIS A 68 -6.708 5.332 5.434 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.231 4.959 6.504 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.432 3.164 4.863 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.024 2.627 5.364 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.977 3.516 2.231 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.002 6.426 2.638 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.480 5.264 0.960 1.00 0.00 H new ATOM 1108 N MET A 69 -6.974 2.900 7.792 1.00 0.00 N ATOM 1109 CA MET A 69 -6.700 2.007 8.914 1.00 0.00 C ATOM 1110 C MET A 69 -6.823 2.745 10.242 1.00 0.00 C ATOM 1111 O MET A 69 -7.517 2.294 11.153 1.00 0.00 O ATOM 1112 CB MET A 69 -5.303 1.402 8.780 1.00 0.00 C ATOM 1113 CG MET A 69 -4.970 0.395 9.870 1.00 0.00 C ATOM 1114 SD MET A 69 -6.070 -1.034 9.855 1.00 0.00 S ATOM 1115 CE MET A 69 -6.052 -1.457 8.114 1.00 0.00 C ATOM 0 H MET A 69 -6.181 3.048 7.168 1.00 0.00 H new ATOM 0 HA MET A 69 -7.439 1.206 8.897 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.218 0.915 7.809 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.565 2.204 8.800 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.941 0.058 9.746 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.030 0.884 10.842 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.986 -2.539 8.003 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.967 -1.099 7.643 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.191 -0.990 7.635 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.143 3.883 10.347 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.174 4.685 11.567 1.00 0.00 C ATOM 1127 C ASP A 70 -7.607 5.052 11.943 1.00 0.00 C ATOM 1128 O ASP A 70 -7.924 5.231 13.119 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.339 5.953 11.388 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.504 6.272 12.613 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -5.080 6.358 13.717 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -3.275 6.434 12.468 1.00 0.00 O ATOM 0 H ASP A 70 -5.564 4.271 9.602 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.749 4.089 12.375 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.683 5.834 10.525 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.000 6.793 11.173 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.468 5.164 10.937 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.867 5.511 11.164 1.00 0.00 C ATOM 1139 C LYS A 71 -10.736 4.260 11.273 1.00 0.00 C ATOM 1140 O LYS A 71 -11.853 4.316 11.787 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.381 6.403 10.032 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.579 7.683 9.857 1.00 0.00 C ATOM 1143 CD LYS A 71 -10.431 8.917 10.113 1.00 0.00 C ATOM 1144 CE LYS A 71 -9.574 10.120 10.473 1.00 0.00 C ATOM 1145 NZ LYS A 71 -10.401 11.326 10.753 1.00 0.00 N ATOM 0 H LYS A 71 -8.222 5.020 9.958 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.929 6.054 12.107 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.360 5.840 9.099 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.422 6.660 10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.730 7.678 10.541 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.173 7.724 8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.023 9.143 9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.134 8.714 10.921 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.967 9.885 11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.886 10.333 9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.780 12.124 10.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.962 11.566 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.040 11.131 11.550 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.221 3.134 10.787 1.00 0.00 N ATOM 1160 CA LYS A 72 -10.958 1.876 10.834 1.00 0.00 C ATOM 1161 C LYS A 72 -12.225 1.961 9.987 1.00 0.00 C ATOM 1162 O LYS A 72 -13.338 1.837 10.498 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.312 1.521 12.281 1.00 0.00 C ATOM 1164 CG LYS A 72 -10.347 0.534 12.917 1.00 0.00 C ATOM 1165 CD LYS A 72 -10.412 -0.826 12.239 1.00 0.00 C ATOM 1166 CE LYS A 72 -10.527 -1.952 13.254 1.00 0.00 C ATOM 1167 NZ LYS A 72 -9.198 -2.537 13.587 1.00 0.00 N ATOM 0 H LYS A 72 -9.298 3.067 10.357 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.322 1.091 10.425 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.330 2.434 12.876 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.318 1.102 12.308 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.331 0.925 12.854 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.582 0.425 13.976 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.267 -0.856 11.563 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.519 -0.973 11.631 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.996 -1.575 14.163 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.178 -2.732 12.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.319 -3.301 14.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.761 -2.920 12.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.584 -1.799 13.988 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.047 2.178 8.688 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.174 2.284 7.770 1.00 0.00 C ATOM 1183 C GLU A 73 -13.583 0.910 7.245 1.00 0.00 C ATOM 1184 O GLU A 73 -12.779 0.200 6.641 1.00 0.00 O ATOM 1185 CB GLU A 73 -12.822 3.205 6.599 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.499 4.628 7.027 1.00 0.00 C ATOM 1187 CD GLU A 73 -13.149 5.673 6.139 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -13.740 5.293 5.107 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -13.068 6.872 6.478 1.00 0.00 O ATOM 0 H GLU A 73 -11.133 2.284 8.248 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.015 2.709 8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.967 2.791 6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.656 3.225 5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.828 4.776 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.418 4.769 7.015 1.00 0.00 H new ATOM 1196 N GLU A 74 -14.839 0.545 7.481 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.361 -0.743 7.033 1.00 0.00 C ATOM 1198 C GLU A 74 -15.181 -0.911 5.527 1.00 0.00 C ATOM 1199 O GLU A 74 -15.151 -2.032 5.017 1.00 0.00 O ATOM 1200 CB GLU A 74 -16.841 -0.870 7.399 1.00 0.00 C ATOM 1201 CG GLU A 74 -17.739 0.108 6.659 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.172 0.073 7.153 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -19.387 0.307 8.361 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -20.077 -0.186 6.333 1.00 0.00 O ATOM 0 H GLU A 74 -15.515 1.123 7.980 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.799 -1.530 7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.173 -1.886 7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.956 -0.715 8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.344 1.117 6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.720 -0.122 5.594 1.00 0.00 H new ATOM 1211 N ILE A 75 -15.066 0.209 4.820 1.00 0.00 N ATOM 1212 CA ILE A 75 -14.892 0.194 3.372 1.00 0.00 C ATOM 1213 C ILE A 75 -13.792 -0.780 2.953 1.00 0.00 C ATOM 1214 O ILE A 75 -13.822 -1.327 1.849 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.558 1.601 2.841 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.192 2.063 3.358 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.645 2.586 3.252 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.849 3.488 2.983 1.00 0.00 C ATOM 0 H ILE A 75 -15.090 1.143 5.229 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.837 -0.137 2.940 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.514 1.561 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.173 1.968 4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.422 1.398 2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.400 3.578 2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.602 2.265 2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.712 2.621 4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.868 3.744 3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.834 3.585 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.597 4.163 3.397 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.827 -0.994 3.839 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.721 -1.904 3.564 1.00 0.00 C ATOM 1232 C ILE A 76 -12.161 -3.356 3.716 1.00 0.00 C ATOM 1233 O ILE A 76 -12.634 -3.764 4.776 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.527 -1.636 4.505 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -10.068 -0.183 4.378 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.377 -2.591 4.200 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -8.917 0.170 5.295 1.00 0.00 C ATOM 0 H ILE A 76 -12.788 -0.549 4.756 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.408 -1.727 2.535 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.850 -1.809 5.532 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.771 0.007 3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.909 0.475 4.594 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.545 -2.386 4.874 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.711 -3.619 4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.052 -2.451 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.644 1.216 5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.216 0.012 6.331 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.060 -0.463 5.064 1.00 0.00 H new ATOM 1249 N ALA A 77 -11.997 -4.134 2.650 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.374 -5.541 2.671 1.00 0.00 C ATOM 1251 C ALA A 77 -11.146 -6.437 2.776 1.00 0.00 C ATOM 1252 O ALA A 77 -10.021 -5.997 2.539 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.177 -5.900 1.429 1.00 0.00 C ATOM 0 H ALA A 77 -11.607 -3.814 1.764 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.995 -5.705 3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.449 -6.955 1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.082 -5.293 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.576 -5.709 0.540 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.352 -7.714 3.129 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.260 -8.681 3.263 1.00 0.00 C ATOM 1261 C PRO A 78 -9.545 -8.937 1.939 1.00 0.00 C ATOM 1262 O PRO A 78 -10.077 -8.643 0.869 1.00 0.00 O ATOM 1263 CB PRO A 78 -10.961 -9.958 3.741 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.390 -9.787 3.360 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.665 -8.315 3.426 1.00 0.00 C ATOM 0 HA PRO A 78 -9.488 -8.323 3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.531 -10.842 3.270 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.854 -10.086 4.818 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.575 -10.173 2.358 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.043 -10.336 4.039 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.420 -8.013 2.700 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.031 -8.017 4.409 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.338 -9.489 2.022 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.552 -9.788 0.830 1.00 0.00 C ATOM 1275 C CYS A 79 -8.287 -10.781 -0.064 1.00 0.00 C ATOM 1276 O CYS A 79 -8.994 -11.664 0.424 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.181 -10.345 1.222 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.933 -10.240 -0.108 1.00 0.00 S ATOM 0 H CYS A 79 -7.884 -9.738 2.901 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.409 -8.862 0.273 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.815 -9.803 2.094 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.294 -11.388 1.519 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.209 -9.174 0.060 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.126 -10.630 -1.374 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.785 -11.511 -2.333 1.00 0.00 C ATOM 1285 C LYS A 80 -7.918 -12.722 -2.661 1.00 0.00 C ATOM 1286 O LYS A 80 -8.425 -13.832 -2.829 1.00 0.00 O ATOM 1287 CB LYS A 80 -9.121 -10.747 -3.618 1.00 0.00 C ATOM 1288 CG LYS A 80 -7.973 -9.902 -4.145 1.00 0.00 C ATOM 1289 CD LYS A 80 -8.134 -9.608 -5.629 1.00 0.00 C ATOM 1290 CE LYS A 80 -7.184 -10.445 -6.470 1.00 0.00 C ATOM 1291 NZ LYS A 80 -7.142 -9.986 -7.886 1.00 0.00 N ATOM 0 H LYS A 80 -7.545 -9.906 -1.797 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.708 -11.866 -1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.418 -11.460 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.980 -10.102 -3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.925 -8.965 -3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.030 -10.421 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.162 -9.809 -5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.948 -8.550 -5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.182 -10.396 -6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.494 -11.489 -6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.483 -10.583 -8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.092 -10.057 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.821 -8.997 -7.921 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.610 -12.509 -2.755 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.683 -13.592 -3.067 1.00 0.00 C ATOM 1307 C VAL A 81 -5.492 -14.527 -1.873 1.00 0.00 C ATOM 1308 O VAL A 81 -4.926 -15.612 -2.011 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.310 -13.051 -3.510 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.457 -12.156 -4.733 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.628 -12.304 -2.372 1.00 0.00 C ATOM 0 H VAL A 81 -6.168 -11.600 -2.620 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.126 -14.152 -3.890 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.681 -13.899 -3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.477 -11.783 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.892 -12.728 -5.552 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.107 -11.315 -4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.661 -11.932 -2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.252 -11.465 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.483 -12.979 -1.529 1.00 0.00 H new