USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 284 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 23 CYS SG : rot 154:sc= 1.64 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.99 K(o=-0.68,f=-6.3!) USER MOD Set 1.3: A 26 CYS SG : rot -54:sc= -0.283 USER MOD Set 1.4: A 47 CYS SG : rot -132:sc= -0.178 USER MOD Set 1.5: A 51 CYS SG : rot 132:sc= -0.867 USER MOD Set 1.6: A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.00436 K(o=-0.0044,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0559 X(o=-0.056,f=-0.056) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0593 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.72 K(o=-1.7,f=-3.7!) USER MOD Single : A 40 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.271) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0527 X(o=-0.053,f=-0.2) USER MOD Single : A 48 SER OG : rot 180:sc= 0.00346 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0342 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 79:sc= 0.045 USER MOD ----------------------------------------------------------------- ATOM 251 N LYS A 20 6.529 3.795 -0.736 1.00 0.00 N ATOM 252 CA LYS A 20 6.766 2.487 -1.334 1.00 0.00 C ATOM 253 C LYS A 20 5.465 1.701 -1.458 1.00 0.00 C ATOM 254 O LYS A 20 4.408 2.159 -1.022 1.00 0.00 O ATOM 255 CB LYS A 20 7.774 1.696 -0.498 1.00 0.00 C ATOM 256 CG LYS A 20 7.224 1.233 0.840 1.00 0.00 C ATOM 257 CD LYS A 20 7.114 2.384 1.826 1.00 0.00 C ATOM 258 CE LYS A 20 6.886 1.884 3.244 1.00 0.00 C ATOM 259 NZ LYS A 20 6.922 2.993 4.236 1.00 0.00 N ATOM 0 HA LYS A 20 7.173 2.641 -2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.102 0.826 -1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.655 2.315 -0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.242 0.782 0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.872 0.460 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.025 2.982 1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.293 3.038 1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.922 1.378 3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.648 1.147 3.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.762 2.611 5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.851 3.460 4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.178 3.684 4.011 1.00 0.00 H new ATOM 273 N ILE A 21 5.549 0.516 -2.053 1.00 0.00 N ATOM 274 CA ILE A 21 4.378 -0.334 -2.231 1.00 0.00 C ATOM 275 C ILE A 21 4.586 -1.699 -1.584 1.00 0.00 C ATOM 276 O ILE A 21 5.712 -2.190 -1.492 1.00 0.00 O ATOM 277 CB ILE A 21 4.046 -0.530 -3.722 1.00 0.00 C ATOM 278 CG1 ILE A 21 3.877 0.826 -4.412 1.00 0.00 C ATOM 279 CG2 ILE A 21 2.787 -1.370 -3.879 1.00 0.00 C ATOM 280 CD1 ILE A 21 3.984 0.754 -5.919 1.00 0.00 C ATOM 0 H ILE A 21 6.416 0.123 -2.420 1.00 0.00 H new ATOM 0 HA ILE A 21 3.544 0.172 -1.745 1.00 0.00 H new ATOM 0 HB ILE A 21 4.873 -1.058 -4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.906 1.242 -4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.634 1.514 -4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.566 -1.499 -4.938 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.941 -2.346 -3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.951 -0.867 -3.393 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.854 1.751 -6.341 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.965 0.367 -6.196 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.210 0.092 -6.307 1.00 0.00 H new ATOM 292 N THR A 22 3.492 -2.309 -1.138 1.00 0.00 N ATOM 293 CA THR A 22 3.554 -3.619 -0.501 1.00 0.00 C ATOM 294 C THR A 22 2.486 -4.552 -1.058 1.00 0.00 C ATOM 295 O THR A 22 1.429 -4.107 -1.506 1.00 0.00 O ATOM 296 CB THR A 22 3.378 -3.509 1.026 1.00 0.00 C ATOM 297 OG1 THR A 22 2.367 -2.543 1.334 1.00 0.00 O ATOM 298 CG2 THR A 22 4.686 -3.113 1.694 1.00 0.00 C ATOM 0 H THR A 22 2.553 -1.917 -1.206 1.00 0.00 H new ATOM 0 HA THR A 22 4.540 -4.030 -0.718 1.00 0.00 H new ATOM 0 HB THR A 22 3.075 -4.485 1.406 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.260 -2.480 2.306 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.537 -3.042 2.771 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.445 -3.866 1.482 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.014 -2.148 1.308 1.00 0.00 H new ATOM 306 N CYS A 23 2.768 -5.851 -1.028 1.00 0.00 N ATOM 307 CA CYS A 23 1.831 -6.849 -1.531 1.00 0.00 C ATOM 308 C CYS A 23 0.482 -6.730 -0.829 1.00 0.00 C ATOM 309 O CYS A 23 0.416 -6.547 0.386 1.00 0.00 O ATOM 310 CB CYS A 23 2.399 -8.256 -1.334 1.00 0.00 C ATOM 311 SG CYS A 23 1.290 -9.590 -1.891 1.00 0.00 S ATOM 0 H CYS A 23 3.638 -6.237 -0.661 1.00 0.00 H new ATOM 0 HA CYS A 23 1.684 -6.670 -2.596 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.343 -8.334 -1.873 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.623 -8.401 -0.277 1.00 0.00 H new ATOM 0 HG CYS A 23 1.994 -10.635 -2.209 1.00 0.00 H new ATOM 316 N ALA A 24 -0.593 -6.836 -1.603 1.00 0.00 N ATOM 317 CA ALA A 24 -1.941 -6.743 -1.057 1.00 0.00 C ATOM 318 C ALA A 24 -2.384 -8.074 -0.460 1.00 0.00 C ATOM 319 O ALA A 24 -3.574 -8.306 -0.251 1.00 0.00 O ATOM 320 CB ALA A 24 -2.918 -6.294 -2.133 1.00 0.00 C ATOM 0 H ALA A 24 -0.556 -6.987 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.932 -6.001 -0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.921 -6.229 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.619 -5.316 -2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.915 -7.015 -2.951 1.00 0.00 H new ATOM 326 N ASN A 25 -1.419 -8.946 -0.187 1.00 0.00 N ATOM 327 CA ASN A 25 -1.711 -10.255 0.385 1.00 0.00 C ATOM 328 C ASN A 25 -0.846 -10.517 1.615 1.00 0.00 C ATOM 329 O ASN A 25 -1.357 -10.689 2.722 1.00 0.00 O ATOM 330 CB ASN A 25 -1.482 -11.352 -0.656 1.00 0.00 C ATOM 331 CG ASN A 25 -2.276 -12.609 -0.357 1.00 0.00 C ATOM 332 OD1 ASN A 25 -3.403 -12.770 -0.827 1.00 0.00 O ATOM 333 ND2 ASN A 25 -1.692 -13.506 0.429 1.00 0.00 N ATOM 0 H ASN A 25 -0.428 -8.770 -0.353 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.757 -10.265 0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.758 -10.977 -1.641 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.421 -11.597 -0.694 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.179 -14.370 0.666 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.757 -13.331 0.796 1.00 0.00 H new ATOM 340 N CYS A 26 0.467 -10.545 1.412 1.00 0.00 N ATOM 341 CA CYS A 26 1.405 -10.785 2.503 1.00 0.00 C ATOM 342 C CYS A 26 1.869 -9.469 3.121 1.00 0.00 C ATOM 343 O CYS A 26 2.443 -9.449 4.209 1.00 0.00 O ATOM 344 CB CYS A 26 2.612 -11.579 2.000 1.00 0.00 C ATOM 345 SG CYS A 26 3.484 -10.800 0.603 1.00 0.00 S ATOM 0 H CYS A 26 0.906 -10.404 0.502 1.00 0.00 H new ATOM 0 HA CYS A 26 0.891 -11.365 3.270 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.314 -11.713 2.823 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.280 -12.573 1.699 1.00 0.00 H new ATOM 0 HG CYS A 26 2.639 -10.555 -0.354 1.00 0.00 H new ATOM 350 N LYS A 27 1.615 -8.370 2.418 1.00 0.00 N ATOM 351 CA LYS A 27 2.005 -7.049 2.896 1.00 0.00 C ATOM 352 C LYS A 27 3.520 -6.944 3.032 1.00 0.00 C ATOM 353 O LYS A 27 4.031 -6.449 4.037 1.00 0.00 O ATOM 354 CB LYS A 27 1.340 -6.755 4.243 1.00 0.00 C ATOM 355 CG LYS A 27 -0.164 -6.565 4.150 1.00 0.00 C ATOM 356 CD LYS A 27 -0.522 -5.165 3.680 1.00 0.00 C ATOM 357 CE LYS A 27 -0.409 -4.152 4.809 1.00 0.00 C ATOM 358 NZ LYS A 27 -1.315 -2.988 4.603 1.00 0.00 N ATOM 0 H LYS A 27 1.141 -8.368 1.515 1.00 0.00 H new ATOM 0 HA LYS A 27 1.672 -6.313 2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.553 -7.574 4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.786 -5.857 4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.582 -7.299 3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.616 -6.749 5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.138 -4.875 2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.538 -5.161 3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.649 -4.636 5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.621 -3.802 4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.208 -2.321 5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.070 -2.511 3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.300 -3.318 4.559 1.00 0.00 H new ATOM 372 N LYS A 28 4.235 -7.412 2.014 1.00 0.00 N ATOM 373 CA LYS A 28 5.692 -7.369 2.018 1.00 0.00 C ATOM 374 C LYS A 28 6.203 -6.185 1.203 1.00 0.00 C ATOM 375 O LYS A 28 5.593 -5.768 0.219 1.00 0.00 O ATOM 376 CB LYS A 28 6.263 -8.673 1.456 1.00 0.00 C ATOM 377 CG LYS A 28 6.503 -9.737 2.512 1.00 0.00 C ATOM 378 CD LYS A 28 6.850 -11.077 1.885 1.00 0.00 C ATOM 379 CE LYS A 28 8.340 -11.189 1.600 1.00 0.00 C ATOM 380 NZ LYS A 28 8.622 -12.151 0.498 1.00 0.00 N ATOM 0 H LYS A 28 3.828 -7.826 1.175 1.00 0.00 H new ATOM 0 HA LYS A 28 6.024 -7.249 3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.577 -9.066 0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.203 -8.459 0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.313 -9.422 3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.612 -9.844 3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.545 -11.883 2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.291 -11.202 0.958 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.734 -10.208 1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.860 -11.509 2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.648 -12.200 0.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.268 -13.093 0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.147 -11.833 -0.371 1.00 0.00 H new ATOM 394 N PRO A 29 7.351 -5.630 1.620 1.00 0.00 N ATOM 395 CA PRO A 29 7.971 -4.488 0.941 1.00 0.00 C ATOM 396 C PRO A 29 8.534 -4.862 -0.426 1.00 0.00 C ATOM 397 O PRO A 29 9.629 -5.417 -0.527 1.00 0.00 O ATOM 398 CB PRO A 29 9.100 -4.081 1.892 1.00 0.00 C ATOM 399 CG PRO A 29 9.427 -5.323 2.645 1.00 0.00 C ATOM 400 CD PRO A 29 8.133 -6.076 2.786 1.00 0.00 C ATOM 0 HA PRO A 29 7.253 -3.692 0.744 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.966 -3.711 1.343 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.784 -3.283 2.563 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.169 -5.918 2.112 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.849 -5.087 3.622 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.292 -7.154 2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.629 -5.838 3.723 1.00 0.00 H new ATOM 408 N LEU A 30 7.780 -4.554 -1.475 1.00 0.00 N ATOM 409 CA LEU A 30 8.204 -4.857 -2.837 1.00 0.00 C ATOM 410 C LEU A 30 9.225 -3.836 -3.329 1.00 0.00 C ATOM 411 O LEU A 30 9.012 -2.629 -3.219 1.00 0.00 O ATOM 412 CB LEU A 30 6.996 -4.881 -3.776 1.00 0.00 C ATOM 413 CG LEU A 30 5.802 -5.715 -3.312 1.00 0.00 C ATOM 414 CD1 LEU A 30 4.601 -5.476 -4.213 1.00 0.00 C ATOM 415 CD2 LEU A 30 6.163 -7.193 -3.283 1.00 0.00 C ATOM 0 H LEU A 30 6.872 -4.095 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 30 8.673 -5.841 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.660 -3.856 -3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.322 -5.258 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 30 5.539 -5.405 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.761 -6.078 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.328 -4.421 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.852 -5.757 -5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.301 -7.772 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.453 -7.516 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.994 -7.351 -2.595 1.00 0.00 H new ATOM 427 N GLN A 31 10.332 -4.330 -3.875 1.00 0.00 N ATOM 428 CA GLN A 31 11.385 -3.460 -4.385 1.00 0.00 C ATOM 429 C GLN A 31 11.277 -3.305 -5.899 1.00 0.00 C ATOM 430 O GLN A 31 10.801 -4.204 -6.593 1.00 0.00 O ATOM 431 CB GLN A 31 12.760 -4.017 -4.014 1.00 0.00 C ATOM 432 CG GLN A 31 12.955 -4.210 -2.519 1.00 0.00 C ATOM 433 CD GLN A 31 13.496 -2.969 -1.836 1.00 0.00 C ATOM 434 OE1 GLN A 31 13.362 -1.857 -2.346 1.00 0.00 O ATOM 435 NE2 GLN A 31 14.112 -3.154 -0.674 1.00 0.00 N ATOM 0 H GLN A 31 10.523 -5.327 -3.975 1.00 0.00 H new ATOM 0 HA GLN A 31 11.264 -2.478 -3.928 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.903 -4.973 -4.517 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.529 -3.342 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.003 -4.484 -2.065 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.640 -5.041 -2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.201 -4.094 -0.288 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.496 -2.356 -0.168 1.00 0.00 H new ATOM 444 N LYS A 32 11.723 -2.160 -6.405 1.00 0.00 N ATOM 445 CA LYS A 32 11.678 -1.887 -7.836 1.00 0.00 C ATOM 446 C LYS A 32 12.102 -3.114 -8.638 1.00 0.00 C ATOM 447 O LYS A 32 11.438 -3.499 -9.599 1.00 0.00 O ATOM 448 CB LYS A 32 12.584 -0.703 -8.179 1.00 0.00 C ATOM 449 CG LYS A 32 14.029 -0.901 -7.756 1.00 0.00 C ATOM 450 CD LYS A 32 14.793 0.413 -7.749 1.00 0.00 C ATOM 451 CE LYS A 32 15.438 0.690 -9.098 1.00 0.00 C ATOM 452 NZ LYS A 32 16.809 0.116 -9.186 1.00 0.00 N ATOM 0 H LYS A 32 12.120 -1.406 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 32 10.650 -1.639 -8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.550 -0.529 -9.255 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.193 0.194 -7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.060 -1.346 -6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 32 14.515 -1.602 -8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.115 1.228 -7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 32 15.561 0.384 -6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.817 0.271 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.484 1.766 -9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.214 0.326 -10.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 17.409 0.534 -8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.763 -0.914 -9.053 1.00 0.00 H new ATOM 466 N GLY A 33 13.212 -3.725 -8.234 1.00 0.00 N ATOM 467 CA GLY A 33 13.704 -4.902 -8.925 1.00 0.00 C ATOM 468 C GLY A 33 12.658 -5.995 -9.024 1.00 0.00 C ATOM 469 O GLY A 33 12.550 -6.667 -10.050 1.00 0.00 O ATOM 0 H GLY A 33 13.779 -3.426 -7.441 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.029 -4.622 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.579 -5.287 -8.402 1.00 0.00 H new ATOM 473 N GLN A 34 11.889 -6.175 -7.955 1.00 0.00 N ATOM 474 CA GLN A 34 10.849 -7.197 -7.926 1.00 0.00 C ATOM 475 C GLN A 34 9.640 -6.767 -8.751 1.00 0.00 C ATOM 476 O GLN A 34 9.144 -5.649 -8.609 1.00 0.00 O ATOM 477 CB GLN A 34 10.423 -7.480 -6.485 1.00 0.00 C ATOM 478 CG GLN A 34 11.335 -8.459 -5.762 1.00 0.00 C ATOM 479 CD GLN A 34 11.162 -9.885 -6.247 1.00 0.00 C ATOM 480 OE1 GLN A 34 10.100 -10.485 -6.081 1.00 0.00 O ATOM 481 NE2 GLN A 34 12.208 -10.436 -6.852 1.00 0.00 N ATOM 0 H GLN A 34 11.966 -5.627 -7.098 1.00 0.00 H new ATOM 0 HA GLN A 34 11.258 -8.108 -8.362 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.399 -6.542 -5.931 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.407 -7.875 -6.486 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.372 -8.155 -5.902 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.132 -8.416 -4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.069 -9.902 -6.968 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.150 -11.393 -7.200 1.00 0.00 H new ATOM 490 N THR A 35 9.171 -7.662 -9.615 1.00 0.00 N ATOM 491 CA THR A 35 8.021 -7.375 -10.463 1.00 0.00 C ATOM 492 C THR A 35 6.721 -7.440 -9.670 1.00 0.00 C ATOM 493 O THR A 35 6.676 -8.012 -8.581 1.00 0.00 O ATOM 494 CB THR A 35 7.937 -8.358 -11.646 1.00 0.00 C ATOM 495 OG1 THR A 35 6.919 -7.936 -12.562 1.00 0.00 O ATOM 496 CG2 THR A 35 7.635 -9.767 -11.158 1.00 0.00 C ATOM 0 H THR A 35 9.570 -8.592 -9.746 1.00 0.00 H new ATOM 0 HA THR A 35 8.157 -6.364 -10.848 1.00 0.00 H new ATOM 0 HB THR A 35 8.902 -8.365 -12.154 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.873 -8.565 -13.312 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.580 -10.444 -12.011 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.426 -10.096 -10.484 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.682 -9.772 -10.629 1.00 0.00 H new ATOM 504 N ALA A 36 5.666 -6.850 -10.222 1.00 0.00 N ATOM 505 CA ALA A 36 4.364 -6.844 -9.566 1.00 0.00 C ATOM 506 C ALA A 36 3.324 -7.579 -10.404 1.00 0.00 C ATOM 507 O ALA A 36 3.358 -7.533 -11.634 1.00 0.00 O ATOM 508 CB ALA A 36 3.916 -5.415 -9.297 1.00 0.00 C ATOM 0 H ALA A 36 5.687 -6.370 -11.122 1.00 0.00 H new ATOM 0 HA ALA A 36 4.461 -7.368 -8.615 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.942 -5.425 -8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.642 -4.921 -8.651 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.842 -4.873 -10.240 1.00 0.00 H new ATOM 514 N TYR A 37 2.400 -8.256 -9.731 1.00 0.00 N ATOM 515 CA TYR A 37 1.352 -9.004 -10.414 1.00 0.00 C ATOM 516 C TYR A 37 -0.030 -8.493 -10.015 1.00 0.00 C ATOM 517 O TYR A 37 -0.327 -8.337 -8.831 1.00 0.00 O ATOM 518 CB TYR A 37 1.468 -10.495 -10.095 1.00 0.00 C ATOM 519 CG TYR A 37 2.788 -11.103 -10.514 1.00 0.00 C ATOM 520 CD1 TYR A 37 3.924 -10.954 -9.728 1.00 0.00 C ATOM 521 CD2 TYR A 37 2.899 -11.825 -11.695 1.00 0.00 C ATOM 522 CE1 TYR A 37 5.132 -11.506 -10.106 1.00 0.00 C ATOM 523 CE2 TYR A 37 4.103 -12.382 -12.081 1.00 0.00 C ATOM 524 CZ TYR A 37 5.217 -12.220 -11.283 1.00 0.00 C ATOM 525 OH TYR A 37 6.418 -12.772 -11.665 1.00 0.00 O ATOM 0 H TYR A 37 2.356 -8.302 -8.713 1.00 0.00 H new ATOM 0 HA TYR A 37 1.478 -8.859 -11.487 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.335 -10.640 -9.023 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.658 -11.028 -10.592 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.861 -10.397 -8.805 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.029 -11.953 -12.322 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.005 -11.379 -9.483 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.172 -12.941 -13.002 1.00 0.00 H new ATOM 0 HH TYR A 37 6.305 -13.243 -12.517 1.00 0.00 H new ATOM 535 N GLN A 38 -0.869 -8.236 -11.013 1.00 0.00 N ATOM 536 CA GLN A 38 -2.219 -7.743 -10.767 1.00 0.00 C ATOM 537 C GLN A 38 -3.203 -8.321 -11.779 1.00 0.00 C ATOM 538 O GLN A 38 -2.805 -8.981 -12.739 1.00 0.00 O ATOM 539 CB GLN A 38 -2.246 -6.214 -10.829 1.00 0.00 C ATOM 540 CG GLN A 38 -1.783 -5.651 -12.162 1.00 0.00 C ATOM 541 CD GLN A 38 -1.221 -4.248 -12.040 1.00 0.00 C ATOM 542 OE1 GLN A 38 -0.038 -4.063 -11.752 1.00 0.00 O ATOM 543 NE2 GLN A 38 -2.069 -3.250 -12.259 1.00 0.00 N ATOM 0 H GLN A 38 -0.638 -8.361 -11.999 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.520 -8.065 -9.770 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.261 -5.869 -10.631 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.613 -5.815 -10.036 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.022 -6.307 -12.585 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.621 -5.643 -12.859 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.041 -3.449 -12.495 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.748 -2.284 -12.191 1.00 0.00 H new ATOM 552 N ARG A 39 -4.489 -8.070 -11.556 1.00 0.00 N ATOM 553 CA ARG A 39 -5.530 -8.568 -12.448 1.00 0.00 C ATOM 554 C ARG A 39 -6.387 -7.421 -12.976 1.00 0.00 C ATOM 555 O ARG A 39 -6.638 -6.443 -12.271 1.00 0.00 O ATOM 556 CB ARG A 39 -6.411 -9.584 -11.720 1.00 0.00 C ATOM 557 CG ARG A 39 -5.821 -10.985 -11.682 1.00 0.00 C ATOM 558 CD ARG A 39 -6.880 -12.026 -11.354 1.00 0.00 C ATOM 559 NE ARG A 39 -6.501 -13.358 -11.820 1.00 0.00 N ATOM 560 CZ ARG A 39 -6.720 -13.794 -13.055 1.00 0.00 C ATOM 561 NH1 ARG A 39 -7.314 -13.010 -13.944 1.00 0.00 N ATOM 562 NH2 ARG A 39 -6.346 -15.019 -13.403 1.00 0.00 N ATOM 0 H ARG A 39 -4.835 -7.525 -10.766 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.046 -9.057 -13.294 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.578 -9.241 -10.699 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.385 -9.622 -12.207 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.368 -11.216 -12.646 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.026 -11.026 -10.938 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.042 -12.051 -10.276 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.826 -11.737 -11.812 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.043 -13.987 -11.161 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.604 -12.068 -13.680 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.481 -13.348 -14.892 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.890 -15.626 -12.722 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.514 -15.353 -14.352 1.00 0.00 H new ATOM 576 N LYS A 40 -6.833 -7.548 -14.221 1.00 0.00 N ATOM 577 CA LYS A 40 -7.662 -6.524 -14.845 1.00 0.00 C ATOM 578 C LYS A 40 -8.682 -5.972 -13.855 1.00 0.00 C ATOM 579 O LYS A 40 -9.464 -6.722 -13.271 1.00 0.00 O ATOM 580 CB LYS A 40 -8.382 -7.097 -16.068 1.00 0.00 C ATOM 581 CG LYS A 40 -7.448 -7.451 -17.213 1.00 0.00 C ATOM 582 CD LYS A 40 -8.105 -8.408 -18.193 1.00 0.00 C ATOM 583 CE LYS A 40 -8.993 -7.668 -19.183 1.00 0.00 C ATOM 584 NZ LYS A 40 -10.391 -7.540 -18.687 1.00 0.00 N ATOM 0 H LYS A 40 -6.634 -8.351 -14.818 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.011 -5.709 -15.162 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.933 -7.989 -15.770 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.116 -6.372 -16.420 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.150 -6.542 -17.735 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.539 -7.903 -16.816 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.337 -8.961 -18.734 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.699 -9.140 -17.646 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.581 -6.676 -19.369 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.993 -8.197 -20.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.038 -8.022 -19.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.466 -7.975 -17.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.647 -6.534 -18.625 1.00 0.00 H new ATOM 598 N GLY A 41 -8.670 -4.655 -13.670 1.00 0.00 N ATOM 599 CA GLY A 41 -9.599 -4.026 -12.751 1.00 0.00 C ATOM 600 C GLY A 41 -9.065 -3.971 -11.333 1.00 0.00 C ATOM 601 O GLY A 41 -9.231 -2.968 -10.639 1.00 0.00 O ATOM 0 H GLY A 41 -8.033 -4.013 -14.141 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.815 -3.014 -13.094 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.541 -4.574 -12.760 1.00 0.00 H new ATOM 605 N SER A 42 -8.423 -5.052 -10.902 1.00 0.00 N ATOM 606 CA SER A 42 -7.867 -5.125 -9.556 1.00 0.00 C ATOM 607 C SER A 42 -6.609 -4.271 -9.441 1.00 0.00 C ATOM 608 O SER A 42 -5.516 -4.703 -9.809 1.00 0.00 O ATOM 609 CB SER A 42 -7.548 -6.576 -9.191 1.00 0.00 C ATOM 610 OG SER A 42 -8.716 -7.378 -9.218 1.00 0.00 O ATOM 0 H SER A 42 -8.275 -5.889 -11.465 1.00 0.00 H new ATOM 0 HA SER A 42 -8.612 -4.739 -8.860 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.812 -6.976 -9.889 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.100 -6.614 -8.198 1.00 0.00 H new ATOM 0 HG SER A 42 -8.485 -8.301 -8.983 1.00 0.00 H new ATOM 616 N ALA A 43 -6.770 -3.056 -8.927 1.00 0.00 N ATOM 617 CA ALA A 43 -5.648 -2.141 -8.761 1.00 0.00 C ATOM 618 C ALA A 43 -4.597 -2.726 -7.825 1.00 0.00 C ATOM 619 O ALA A 43 -3.397 -2.638 -8.089 1.00 0.00 O ATOM 620 CB ALA A 43 -6.135 -0.798 -8.238 1.00 0.00 C ATOM 0 H ALA A 43 -7.668 -2.683 -8.618 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.185 -1.992 -9.737 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.286 -0.125 -8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.843 -0.367 -8.946 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.625 -0.939 -7.274 1.00 0.00 H new ATOM 626 N HIS A 44 -5.054 -3.323 -6.729 1.00 0.00 N ATOM 627 CA HIS A 44 -4.151 -3.923 -5.752 1.00 0.00 C ATOM 628 C HIS A 44 -3.091 -4.775 -6.444 1.00 0.00 C ATOM 629 O HIS A 44 -3.401 -5.571 -7.331 1.00 0.00 O ATOM 630 CB HIS A 44 -4.938 -4.776 -4.756 1.00 0.00 C ATOM 631 CG HIS A 44 -5.630 -3.975 -3.697 1.00 0.00 C ATOM 632 ND1 HIS A 44 -5.017 -2.952 -3.006 1.00 0.00 N ATOM 633 CD2 HIS A 44 -6.893 -4.050 -3.214 1.00 0.00 C ATOM 634 CE1 HIS A 44 -5.871 -2.433 -2.141 1.00 0.00 C ATOM 635 NE2 HIS A 44 -7.017 -3.082 -2.248 1.00 0.00 N ATOM 0 H HIS A 44 -6.043 -3.404 -6.495 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.650 -3.118 -5.214 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.679 -5.363 -5.299 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.259 -5.483 -4.280 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.660 -4.742 -3.530 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.667 -1.618 -1.463 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.858 -2.894 -1.702 1.00 0.00 H new ATOM 644 N LEU A 45 -1.840 -4.602 -6.032 1.00 0.00 N ATOM 645 CA LEU A 45 -0.733 -5.355 -6.613 1.00 0.00 C ATOM 646 C LEU A 45 -0.369 -6.550 -5.738 1.00 0.00 C ATOM 647 O LEU A 45 -0.897 -6.711 -4.637 1.00 0.00 O ATOM 648 CB LEU A 45 0.487 -4.449 -6.792 1.00 0.00 C ATOM 649 CG LEU A 45 0.270 -3.191 -7.634 1.00 0.00 C ATOM 650 CD1 LEU A 45 1.291 -2.124 -7.270 1.00 0.00 C ATOM 651 CD2 LEU A 45 0.348 -3.522 -9.117 1.00 0.00 C ATOM 0 H LEU A 45 -1.567 -3.948 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.050 -5.725 -7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.837 -4.146 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.286 -5.034 -7.248 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.725 -2.801 -7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.122 -1.236 -7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.188 -1.866 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.296 -2.504 -7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.191 -2.615 -9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.330 -3.936 -9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.421 -4.252 -9.368 1.00 0.00 H new ATOM 663 N PHE A 46 0.538 -7.385 -6.233 1.00 0.00 N ATOM 664 CA PHE A 46 0.974 -8.565 -5.496 1.00 0.00 C ATOM 665 C PHE A 46 2.461 -8.827 -5.719 1.00 0.00 C ATOM 666 O PHE A 46 3.040 -8.379 -6.709 1.00 0.00 O ATOM 667 CB PHE A 46 0.160 -9.788 -5.922 1.00 0.00 C ATOM 668 CG PHE A 46 -1.297 -9.691 -5.569 1.00 0.00 C ATOM 669 CD1 PHE A 46 -1.723 -9.891 -4.266 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.240 -9.398 -6.541 1.00 0.00 C ATOM 671 CE1 PHE A 46 -3.063 -9.802 -3.940 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.582 -9.308 -6.221 1.00 0.00 C ATOM 673 CZ PHE A 46 -3.994 -9.509 -4.918 1.00 0.00 C ATOM 0 H PHE A 46 0.986 -7.266 -7.142 1.00 0.00 H new ATOM 0 HA PHE A 46 0.811 -8.380 -4.434 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.256 -9.921 -6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.581 -10.677 -5.452 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.000 -10.119 -3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.923 -9.238 -7.561 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.383 -9.961 -2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.307 -9.081 -6.989 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.041 -9.437 -4.664 1.00 0.00 H new ATOM 683 N CYS A 47 3.073 -9.556 -4.791 1.00 0.00 N ATOM 684 CA CYS A 47 4.492 -9.878 -4.884 1.00 0.00 C ATOM 685 C CYS A 47 4.725 -11.033 -5.853 1.00 0.00 C ATOM 686 O CYS A 47 5.643 -10.995 -6.673 1.00 0.00 O ATOM 687 CB CYS A 47 5.046 -10.235 -3.504 1.00 0.00 C ATOM 688 SG CYS A 47 4.458 -11.834 -2.857 1.00 0.00 S ATOM 0 H CYS A 47 2.608 -9.935 -3.966 1.00 0.00 H new ATOM 0 HA CYS A 47 5.015 -8.999 -5.262 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.135 -10.254 -3.555 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.774 -9.448 -2.800 1.00 0.00 H new ATOM 0 HG CYS A 47 4.064 -11.686 -1.627 1.00 0.00 H new ATOM 693 N SER A 48 3.887 -12.061 -5.753 1.00 0.00 N ATOM 694 CA SER A 48 4.004 -13.229 -6.618 1.00 0.00 C ATOM 695 C SER A 48 2.634 -13.847 -6.883 1.00 0.00 C ATOM 696 O SER A 48 1.616 -13.368 -6.384 1.00 0.00 O ATOM 697 CB SER A 48 4.930 -14.269 -5.984 1.00 0.00 C ATOM 698 OG SER A 48 5.524 -15.093 -6.972 1.00 0.00 O ATOM 0 H SER A 48 3.120 -12.108 -5.082 1.00 0.00 H new ATOM 0 HA SER A 48 4.429 -12.906 -7.568 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.708 -13.766 -5.410 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.365 -14.885 -5.284 1.00 0.00 H new ATOM 0 HG SER A 48 6.112 -15.748 -6.541 1.00 0.00 H new ATOM 704 N THR A 49 2.617 -14.916 -7.674 1.00 0.00 N ATOM 705 CA THR A 49 1.375 -15.599 -8.008 1.00 0.00 C ATOM 706 C THR A 49 0.692 -16.143 -6.758 1.00 0.00 C ATOM 707 O THR A 49 -0.483 -15.870 -6.510 1.00 0.00 O ATOM 708 CB THR A 49 1.619 -16.760 -8.991 1.00 0.00 C ATOM 709 OG1 THR A 49 2.661 -17.609 -8.498 1.00 0.00 O ATOM 710 CG2 THR A 49 1.997 -16.233 -10.368 1.00 0.00 C ATOM 0 H THR A 49 3.450 -15.327 -8.095 1.00 0.00 H new ATOM 0 HA THR A 49 0.727 -14.861 -8.481 1.00 0.00 H new ATOM 0 HB THR A 49 0.695 -17.332 -9.079 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.809 -18.345 -9.128 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.164 -17.071 -11.045 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.190 -15.611 -10.754 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.908 -15.640 -10.293 1.00 0.00 H new ATOM 718 N THR A 50 1.437 -16.913 -5.971 1.00 0.00 N ATOM 719 CA THR A 50 0.903 -17.495 -4.746 1.00 0.00 C ATOM 720 C THR A 50 -0.106 -16.562 -4.088 1.00 0.00 C ATOM 721 O THR A 50 -1.193 -16.985 -3.694 1.00 0.00 O ATOM 722 CB THR A 50 2.026 -17.811 -3.739 1.00 0.00 C ATOM 723 OG1 THR A 50 3.018 -18.639 -4.355 1.00 0.00 O ATOM 724 CG2 THR A 50 1.468 -18.509 -2.508 1.00 0.00 C ATOM 0 H THR A 50 2.411 -17.148 -6.160 1.00 0.00 H new ATOM 0 HA THR A 50 0.405 -18.423 -5.028 1.00 0.00 H new ATOM 0 HB THR A 50 2.481 -16.870 -3.429 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.729 -18.834 -3.709 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.279 -18.722 -1.812 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.735 -17.863 -2.025 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.990 -19.443 -2.804 1.00 0.00 H new ATOM 732 N CYS A 51 0.259 -15.290 -3.972 1.00 0.00 N ATOM 733 CA CYS A 51 -0.615 -14.295 -3.362 1.00 0.00 C ATOM 734 C CYS A 51 -1.705 -13.858 -4.336 1.00 0.00 C ATOM 735 O CYS A 51 -2.894 -13.901 -4.016 1.00 0.00 O ATOM 736 CB CYS A 51 0.197 -13.080 -2.910 1.00 0.00 C ATOM 737 SG CYS A 51 1.298 -13.406 -1.496 1.00 0.00 S ATOM 0 H CYS A 51 1.155 -14.923 -4.293 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.090 -14.750 -2.493 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.796 -12.724 -3.748 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.489 -12.276 -2.645 1.00 0.00 H new ATOM 0 HG CYS A 51 2.483 -12.936 -1.751 1.00 0.00 H new ATOM 742 N LEU A 52 -1.293 -13.437 -5.527 1.00 0.00 N ATOM 743 CA LEU A 52 -2.233 -12.992 -6.549 1.00 0.00 C ATOM 744 C LEU A 52 -3.503 -13.837 -6.526 1.00 0.00 C ATOM 745 O LEU A 52 -4.614 -13.307 -6.534 1.00 0.00 O ATOM 746 CB LEU A 52 -1.584 -13.064 -7.933 1.00 0.00 C ATOM 747 CG LEU A 52 -2.497 -12.749 -9.119 1.00 0.00 C ATOM 748 CD1 LEU A 52 -2.507 -11.255 -9.403 1.00 0.00 C ATOM 749 CD2 LEU A 52 -2.056 -13.526 -10.351 1.00 0.00 C ATOM 0 H LEU A 52 -0.313 -13.395 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.503 -11.958 -6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.742 -12.372 -7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.177 -14.066 -8.070 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.512 -13.055 -8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.162 -11.050 -10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.870 -10.720 -8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.496 -10.922 -9.637 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.716 -13.290 -11.186 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.033 -13.250 -10.608 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.102 -14.595 -10.143 1.00 0.00 H new ATOM 761 N SER A 53 -3.330 -15.155 -6.496 1.00 0.00 N ATOM 762 CA SER A 53 -4.462 -16.074 -6.473 1.00 0.00 C ATOM 763 C SER A 53 -5.042 -16.187 -5.066 1.00 0.00 C ATOM 764 O SER A 53 -6.256 -16.117 -4.876 1.00 0.00 O ATOM 765 CB SER A 53 -4.035 -17.455 -6.973 1.00 0.00 C ATOM 766 OG SER A 53 -5.162 -18.270 -7.245 1.00 0.00 O ATOM 0 H SER A 53 -2.417 -15.610 -6.487 1.00 0.00 H new ATOM 0 HA SER A 53 -5.233 -15.678 -7.134 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.433 -17.348 -7.875 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.405 -17.937 -6.225 1.00 0.00 H new ATOM 0 HG SER A 53 -4.862 -19.147 -7.565 1.00 0.00 H new ATOM 772 N SER A 54 -4.164 -16.362 -4.084 1.00 0.00 N ATOM 773 CA SER A 54 -4.587 -16.488 -2.694 1.00 0.00 C ATOM 774 C SER A 54 -5.604 -15.409 -2.335 1.00 0.00 C ATOM 775 O SER A 54 -6.696 -15.705 -1.851 1.00 0.00 O ATOM 776 CB SER A 54 -3.379 -16.398 -1.760 1.00 0.00 C ATOM 777 OG SER A 54 -3.776 -16.483 -0.403 1.00 0.00 O ATOM 0 H SER A 54 -3.155 -16.420 -4.225 1.00 0.00 H new ATOM 0 HA SER A 54 -5.059 -17.463 -2.571 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.678 -17.201 -1.988 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.853 -15.459 -1.930 1.00 0.00 H new ATOM 0 HG SER A 54 -2.986 -16.425 0.173 1.00 0.00 H new ATOM 783 N PHE A 55 -5.236 -14.155 -2.577 1.00 0.00 N ATOM 784 CA PHE A 55 -6.114 -13.029 -2.279 1.00 0.00 C ATOM 785 C PHE A 55 -7.486 -13.227 -2.916 1.00 0.00 C ATOM 786 O PHE A 55 -8.513 -13.139 -2.244 1.00 0.00 O ATOM 787 CB PHE A 55 -5.491 -11.723 -2.776 1.00 0.00 C ATOM 788 CG PHE A 55 -6.153 -10.494 -2.223 1.00 0.00 C ATOM 789 CD1 PHE A 55 -7.269 -9.954 -2.841 1.00 0.00 C ATOM 790 CD2 PHE A 55 -5.660 -9.879 -1.083 1.00 0.00 C ATOM 791 CE1 PHE A 55 -7.880 -8.823 -2.334 1.00 0.00 C ATOM 792 CE2 PHE A 55 -6.267 -8.748 -0.571 1.00 0.00 C ATOM 793 CZ PHE A 55 -7.379 -8.220 -1.198 1.00 0.00 C ATOM 0 H PHE A 55 -4.336 -13.893 -2.979 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.239 -12.974 -1.198 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.435 -11.709 -2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.544 -11.696 -3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.666 -10.422 -3.729 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.791 -10.288 -0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.749 -8.411 -2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.873 -8.278 0.318 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.856 -7.337 -0.800 1.00 0.00 H new ATOM 803 N SER A 56 -7.494 -13.493 -4.219 1.00 0.00 N ATOM 804 CA SER A 56 -8.740 -13.698 -4.949 1.00 0.00 C ATOM 805 C SER A 56 -9.715 -14.541 -4.134 1.00 0.00 C ATOM 806 O SER A 56 -9.326 -15.202 -3.171 1.00 0.00 O ATOM 807 CB SER A 56 -8.462 -14.375 -6.293 1.00 0.00 C ATOM 808 OG SER A 56 -7.808 -13.489 -7.185 1.00 0.00 O ATOM 0 H SER A 56 -6.652 -13.571 -4.790 1.00 0.00 H new ATOM 0 HA SER A 56 -9.193 -12.723 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.845 -15.260 -6.137 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.400 -14.714 -6.734 1.00 0.00 H new ATOM 0 HG SER A 56 -6.856 -13.439 -6.957 1.00 0.00 H new