USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=16 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 48 SER OG : rot 180:sc=-0.00842 USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc=-0.000907 USER MOD Set 2.1: A 23 CYS SG : rot 146:sc= 1.81 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.0383 K(o=-0.28,f=-2.2) USER MOD Set 2.3: A 26 CYS SG : rot -54:sc= -1.24 USER MOD Set 2.4: A 47 CYS SG : rot -130:sc= -0.113 USER MOD Set 2.5: A 51 CYS SG : rot 134:sc= -0.697 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+ -116:sc= -0.57 (180deg=-2.32!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -6.74! C(o=-6.7!,f=-8.2!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0109 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0159) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0235 X(o=-0.023,f=-0.22) 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 54 SER OG : rot 99:sc= 0.789 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 251 N LYS A 20 6.617 3.624 -2.725 1.00 0.00 N ATOM 252 CA LYS A 20 6.674 2.349 -2.019 1.00 0.00 C ATOM 253 C LYS A 20 5.427 1.516 -2.300 1.00 0.00 C ATOM 254 O LYS A 20 4.325 2.052 -2.420 1.00 0.00 O ATOM 255 CB LYS A 20 6.816 2.581 -0.513 1.00 0.00 C ATOM 256 CG LYS A 20 6.736 1.307 0.309 1.00 0.00 C ATOM 257 CD LYS A 20 6.720 1.605 1.799 1.00 0.00 C ATOM 258 CE LYS A 20 6.626 0.329 2.622 1.00 0.00 C ATOM 259 NZ LYS A 20 7.967 -0.271 2.869 1.00 0.00 N ATOM 0 HA LYS A 20 7.545 1.802 -2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.770 3.070 -0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.034 3.265 -0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.837 0.754 0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.587 0.667 0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.624 2.149 2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.875 2.253 2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.144 0.546 3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.995 -0.393 2.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.861 -1.138 3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.417 -0.502 1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.561 0.408 3.387 1.00 0.00 H new ATOM 273 N ILE A 21 5.609 0.204 -2.403 1.00 0.00 N ATOM 274 CA ILE A 21 4.498 -0.703 -2.667 1.00 0.00 C ATOM 275 C ILE A 21 4.666 -2.015 -1.908 1.00 0.00 C ATOM 276 O ILE A 21 5.768 -2.559 -1.822 1.00 0.00 O ATOM 277 CB ILE A 21 4.364 -1.006 -4.171 1.00 0.00 C ATOM 278 CG1 ILE A 21 4.291 0.296 -4.972 1.00 0.00 C ATOM 279 CG2 ILE A 21 3.135 -1.864 -4.431 1.00 0.00 C ATOM 280 CD1 ILE A 21 4.294 0.086 -6.470 1.00 0.00 C ATOM 0 H ILE A 21 6.515 -0.255 -2.308 1.00 0.00 H new ATOM 0 HA ILE A 21 3.593 -0.201 -2.324 1.00 0.00 H new ATOM 0 HB ILE A 21 5.245 -1.560 -4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.387 0.836 -4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.137 0.928 -4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.054 -2.070 -5.498 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.225 -2.804 -3.886 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.244 -1.334 -4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.240 1.052 -6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.210 -0.426 -6.764 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.433 -0.519 -6.754 1.00 0.00 H new ATOM 292 N THR A 22 3.566 -2.520 -1.360 1.00 0.00 N ATOM 293 CA THR A 22 3.591 -3.769 -0.609 1.00 0.00 C ATOM 294 C THR A 22 2.535 -4.741 -1.123 1.00 0.00 C ATOM 295 O THR A 22 1.453 -4.332 -1.545 1.00 0.00 O ATOM 296 CB THR A 22 3.359 -3.525 0.894 1.00 0.00 C ATOM 297 OG1 THR A 22 2.379 -2.497 1.078 1.00 0.00 O ATOM 298 CG2 THR A 22 4.655 -3.128 1.584 1.00 0.00 C ATOM 0 H THR A 22 2.646 -2.083 -1.422 1.00 0.00 H new ATOM 0 HA THR A 22 4.581 -4.203 -0.751 1.00 0.00 H new ATOM 0 HB THR A 22 2.999 -4.453 1.339 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.236 -2.349 2.036 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.466 -2.961 2.644 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.389 -3.926 1.467 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.040 -2.212 1.135 1.00 0.00 H new ATOM 306 N CYS A 23 2.856 -6.030 -1.086 1.00 0.00 N ATOM 307 CA CYS A 23 1.936 -7.062 -1.548 1.00 0.00 C ATOM 308 C CYS A 23 0.572 -6.914 -0.878 1.00 0.00 C ATOM 309 O CYS A 23 0.483 -6.702 0.331 1.00 0.00 O ATOM 310 CB CYS A 23 2.508 -8.451 -1.261 1.00 0.00 C ATOM 311 SG CYS A 23 1.407 -9.822 -1.739 1.00 0.00 S ATOM 0 H CYS A 23 3.748 -6.385 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 23 1.808 -6.944 -2.624 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.455 -8.559 -1.790 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.727 -8.529 -0.196 1.00 0.00 H new ATOM 0 HG CYS A 23 2.120 -10.828 -2.150 1.00 0.00 H new ATOM 316 N ALA A 24 -0.487 -7.027 -1.673 1.00 0.00 N ATOM 317 CA ALA A 24 -1.845 -6.908 -1.158 1.00 0.00 C ATOM 318 C ALA A 24 -2.322 -8.227 -0.560 1.00 0.00 C ATOM 319 O ALA A 24 -3.523 -8.476 -0.462 1.00 0.00 O ATOM 320 CB ALA A 24 -2.790 -6.454 -2.261 1.00 0.00 C ATOM 0 H ALA A 24 -0.430 -7.201 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.843 -6.159 -0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.801 -6.369 -1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.467 -5.484 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.780 -7.183 -3.072 1.00 0.00 H new ATOM 326 N ASN A 25 -1.374 -9.068 -0.161 1.00 0.00 N ATOM 327 CA ASN A 25 -1.698 -10.363 0.427 1.00 0.00 C ATOM 328 C ASN A 25 -0.859 -10.619 1.675 1.00 0.00 C ATOM 329 O ASN A 25 -1.393 -10.805 2.769 1.00 0.00 O ATOM 330 CB ASN A 25 -1.471 -11.481 -0.593 1.00 0.00 C ATOM 331 CG ASN A 25 -2.234 -12.745 -0.245 1.00 0.00 C ATOM 332 OD1 ASN A 25 -3.417 -12.875 -0.559 1.00 0.00 O ATOM 333 ND2 ASN A 25 -1.557 -13.683 0.408 1.00 0.00 N ATOM 0 H ASN A 25 -0.375 -8.876 -0.234 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.749 -10.351 0.714 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.777 -11.136 -1.581 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.406 -11.707 -0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.017 -14.555 0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.577 -13.531 0.647 1.00 0.00 H new ATOM 340 N CYS A 26 0.459 -10.627 1.504 1.00 0.00 N ATOM 341 CA CYS A 26 1.373 -10.860 2.615 1.00 0.00 C ATOM 342 C CYS A 26 1.843 -9.540 3.219 1.00 0.00 C ATOM 343 O CYS A 26 2.389 -9.508 4.322 1.00 0.00 O ATOM 344 CB CYS A 26 2.579 -11.677 2.147 1.00 0.00 C ATOM 345 SG CYS A 26 3.467 -10.950 0.733 1.00 0.00 S ATOM 0 H CYS A 26 0.918 -10.475 0.606 1.00 0.00 H new ATOM 0 HA CYS A 26 0.838 -11.420 3.382 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.274 -11.789 2.980 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.243 -12.678 1.875 1.00 0.00 H new ATOM 0 HG CYS A 26 2.630 -10.725 -0.236 1.00 0.00 H new ATOM 350 N LYS A 27 1.627 -8.451 2.488 1.00 0.00 N ATOM 351 CA LYS A 27 2.025 -7.127 2.950 1.00 0.00 C ATOM 352 C LYS A 27 3.542 -7.030 3.082 1.00 0.00 C ATOM 353 O LYS A 27 4.058 -6.534 4.083 1.00 0.00 O ATOM 354 CB LYS A 27 1.365 -6.814 4.295 1.00 0.00 C ATOM 355 CG LYS A 27 -0.153 -6.829 4.246 1.00 0.00 C ATOM 356 CD LYS A 27 -0.703 -5.565 3.607 1.00 0.00 C ATOM 357 CE LYS A 27 -0.666 -4.391 4.574 1.00 0.00 C ATOM 358 NZ LYS A 27 0.605 -3.622 4.463 1.00 0.00 N ATOM 0 H LYS A 27 1.178 -8.460 1.572 1.00 0.00 H new ATOM 0 HA LYS A 27 1.694 -6.397 2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.703 -7.540 5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.699 -5.834 4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.491 -7.699 3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.550 -6.929 5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.122 -5.323 2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.729 -5.737 3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.509 -3.730 4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.781 -4.757 5.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.132 -3.691 5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.181 -4.013 3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.391 -2.624 4.264 1.00 0.00 H new ATOM 372 N LYS A 28 4.251 -7.507 2.064 1.00 0.00 N ATOM 373 CA LYS A 28 5.708 -7.472 2.063 1.00 0.00 C ATOM 374 C LYS A 28 6.224 -6.285 1.255 1.00 0.00 C ATOM 375 O LYS A 28 5.646 -5.898 0.239 1.00 0.00 O ATOM 376 CB LYS A 28 6.270 -8.775 1.491 1.00 0.00 C ATOM 377 CG LYS A 28 6.515 -9.845 2.542 1.00 0.00 C ATOM 378 CD LYS A 28 6.674 -11.218 1.912 1.00 0.00 C ATOM 379 CE LYS A 28 8.109 -11.468 1.474 1.00 0.00 C ATOM 380 NZ LYS A 28 8.198 -12.552 0.457 1.00 0.00 N ATOM 0 H LYS A 28 3.839 -7.923 1.229 1.00 0.00 H new ATOM 0 HA LYS A 28 6.044 -7.360 3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.577 -9.163 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.207 -8.562 0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.411 -9.599 3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.684 -9.861 3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.372 -11.984 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.010 -11.304 1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.529 -10.550 1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.712 -11.734 2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.192 -12.692 0.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.821 -13.435 0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.643 -12.287 -0.382 1.00 0.00 H new ATOM 394 N PRO A 29 7.338 -5.695 1.713 1.00 0.00 N ATOM 395 CA PRO A 29 7.956 -4.546 1.045 1.00 0.00 C ATOM 396 C PRO A 29 8.588 -4.922 -0.291 1.00 0.00 C ATOM 397 O PRO A 29 9.721 -5.402 -0.340 1.00 0.00 O ATOM 398 CB PRO A 29 9.032 -4.096 2.037 1.00 0.00 C ATOM 399 CG PRO A 29 9.358 -5.320 2.822 1.00 0.00 C ATOM 400 CD PRO A 29 8.079 -6.104 2.917 1.00 0.00 C ATOM 0 HA PRO A 29 7.226 -3.773 0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.911 -3.711 1.520 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.667 -3.297 2.682 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.137 -5.903 2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.731 -5.060 3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.266 -7.178 2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.529 -5.867 3.827 1.00 0.00 H new ATOM 408 N LEU A 30 7.848 -4.701 -1.372 1.00 0.00 N ATOM 409 CA LEU A 30 8.337 -5.017 -2.710 1.00 0.00 C ATOM 410 C LEU A 30 9.455 -4.064 -3.121 1.00 0.00 C ATOM 411 O LEU A 30 9.248 -2.855 -3.215 1.00 0.00 O ATOM 412 CB LEU A 30 7.192 -4.945 -3.722 1.00 0.00 C ATOM 413 CG LEU A 30 5.946 -5.764 -3.385 1.00 0.00 C ATOM 414 CD1 LEU A 30 4.842 -5.496 -4.396 1.00 0.00 C ATOM 415 CD2 LEU A 30 6.279 -7.248 -3.338 1.00 0.00 C ATOM 0 H LEU A 30 6.908 -4.305 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 30 8.737 -6.031 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.897 -3.902 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.568 -5.275 -4.690 1.00 0.00 H new ATOM 0 HG LEU A 30 5.591 -5.460 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.963 -6.088 -4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.584 -4.437 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.187 -5.771 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.380 -7.815 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.659 -7.566 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.037 -7.427 -2.575 1.00 0.00 H new ATOM 427 N GLN A 31 10.637 -4.618 -3.366 1.00 0.00 N ATOM 428 CA GLN A 31 11.787 -3.817 -3.768 1.00 0.00 C ATOM 429 C GLN A 31 11.477 -3.012 -5.025 1.00 0.00 C ATOM 430 O GLN A 31 10.515 -3.299 -5.738 1.00 0.00 O ATOM 431 CB GLN A 31 13.002 -4.715 -4.011 1.00 0.00 C ATOM 432 CG GLN A 31 13.715 -5.132 -2.735 1.00 0.00 C ATOM 433 CD GLN A 31 14.890 -6.053 -2.997 1.00 0.00 C ATOM 434 OE1 GLN A 31 14.933 -7.180 -2.502 1.00 0.00 O ATOM 435 NE2 GLN A 31 15.852 -5.579 -3.780 1.00 0.00 N ATOM 0 H GLN A 31 10.824 -5.618 -3.293 1.00 0.00 H new ATOM 0 HA GLN A 31 12.013 -3.122 -2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.682 -5.608 -4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.707 -4.192 -4.657 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.065 -4.242 -2.212 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.007 -5.632 -2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.776 -4.639 -4.169 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.667 -6.155 -3.992 1.00 0.00 H new ATOM 444 N LYS A 32 12.297 -2.001 -5.292 1.00 0.00 N ATOM 445 CA LYS A 32 12.111 -1.153 -6.464 1.00 0.00 C ATOM 446 C LYS A 32 12.688 -1.815 -7.711 1.00 0.00 C ATOM 447 O LYS A 32 13.301 -1.154 -8.549 1.00 0.00 O ATOM 448 CB LYS A 32 12.773 0.209 -6.243 1.00 0.00 C ATOM 449 CG LYS A 32 14.291 0.153 -6.237 1.00 0.00 C ATOM 450 CD LYS A 32 14.836 -0.054 -4.834 1.00 0.00 C ATOM 451 CE LYS A 32 16.274 0.427 -4.717 1.00 0.00 C ATOM 452 NZ LYS A 32 16.944 -0.117 -3.504 1.00 0.00 N ATOM 0 H LYS A 32 13.097 -1.749 -4.712 1.00 0.00 H new ATOM 0 HA LYS A 32 11.041 -1.010 -6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.446 0.894 -7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.429 0.621 -5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.629 -0.658 -6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 32 14.692 1.078 -6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.213 0.482 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.783 -1.111 -4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.831 0.127 -5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.291 1.516 -4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.922 0.234 -3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.428 0.190 -2.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.951 -1.156 -3.548 1.00 0.00 H new ATOM 466 N GLY A 33 12.487 -3.124 -7.828 1.00 0.00 N ATOM 467 CA GLY A 33 12.992 -3.852 -8.977 1.00 0.00 C ATOM 468 C GLY A 33 12.151 -5.070 -9.308 1.00 0.00 C ATOM 469 O GLY A 33 11.935 -5.382 -10.478 1.00 0.00 O ATOM 0 H GLY A 33 11.983 -3.693 -7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.019 -3.188 -9.841 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.018 -4.165 -8.783 1.00 0.00 H new ATOM 473 N GLN A 34 11.678 -5.759 -8.274 1.00 0.00 N ATOM 474 CA GLN A 34 10.859 -6.950 -8.461 1.00 0.00 C ATOM 475 C GLN A 34 9.682 -6.661 -9.387 1.00 0.00 C ATOM 476 O GLN A 34 9.423 -5.510 -9.740 1.00 0.00 O ATOM 477 CB GLN A 34 10.349 -7.461 -7.113 1.00 0.00 C ATOM 478 CG GLN A 34 9.496 -6.451 -6.363 1.00 0.00 C ATOM 479 CD GLN A 34 8.049 -6.458 -6.816 1.00 0.00 C ATOM 480 OE1 GLN A 34 7.235 -7.239 -6.322 1.00 0.00 O ATOM 481 NE2 GLN A 34 7.720 -5.585 -7.761 1.00 0.00 N ATOM 0 H GLN A 34 11.848 -5.513 -7.299 1.00 0.00 H new ATOM 0 HA GLN A 34 11.480 -7.719 -8.921 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.766 -8.368 -7.275 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.201 -7.736 -6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.539 -6.666 -5.295 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.912 -5.454 -6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.427 -4.956 -8.143 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.761 -5.543 -8.105 1.00 0.00 H new ATOM 490 N THR A 35 8.971 -7.714 -9.779 1.00 0.00 N ATOM 491 CA THR A 35 7.823 -7.574 -10.665 1.00 0.00 C ATOM 492 C THR A 35 6.522 -7.504 -9.873 1.00 0.00 C ATOM 493 O THR A 35 6.446 -7.985 -8.743 1.00 0.00 O ATOM 494 CB THR A 35 7.739 -8.742 -11.665 1.00 0.00 C ATOM 495 OG1 THR A 35 6.680 -8.511 -12.601 1.00 0.00 O ATOM 496 CG2 THR A 35 7.504 -10.059 -10.941 1.00 0.00 C ATOM 0 H THR A 35 9.171 -8.673 -9.496 1.00 0.00 H new ATOM 0 HA THR A 35 7.961 -6.643 -11.215 1.00 0.00 H new ATOM 0 HB THR A 35 8.688 -8.803 -12.198 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.635 -9.257 -13.234 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.448 -10.869 -11.668 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.327 -10.247 -10.251 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.568 -10.006 -10.384 1.00 0.00 H new ATOM 504 N ALA A 36 5.501 -6.902 -10.474 1.00 0.00 N ATOM 505 CA ALA A 36 4.202 -6.772 -9.825 1.00 0.00 C ATOM 506 C ALA A 36 3.133 -7.563 -10.571 1.00 0.00 C ATOM 507 O ALA A 36 3.110 -7.586 -11.802 1.00 0.00 O ATOM 508 CB ALA A 36 3.805 -5.306 -9.728 1.00 0.00 C ATOM 0 H ALA A 36 5.548 -6.497 -11.409 1.00 0.00 H new ATOM 0 HA ALA A 36 4.284 -7.183 -8.819 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.833 -5.224 -9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.550 -4.765 -9.144 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.747 -4.878 -10.729 1.00 0.00 H new ATOM 514 N TYR A 37 2.251 -8.211 -9.819 1.00 0.00 N ATOM 515 CA TYR A 37 1.181 -9.007 -10.410 1.00 0.00 C ATOM 516 C TYR A 37 -0.169 -8.317 -10.240 1.00 0.00 C ATOM 517 O TYR A 37 -0.536 -7.912 -9.138 1.00 0.00 O ATOM 518 CB TYR A 37 1.140 -10.397 -9.774 1.00 0.00 C ATOM 519 CG TYR A 37 2.397 -11.205 -10.001 1.00 0.00 C ATOM 520 CD1 TYR A 37 3.582 -10.879 -9.353 1.00 0.00 C ATOM 521 CD2 TYR A 37 2.401 -12.294 -10.865 1.00 0.00 C ATOM 522 CE1 TYR A 37 4.734 -11.614 -9.559 1.00 0.00 C ATOM 523 CE2 TYR A 37 3.547 -13.035 -11.075 1.00 0.00 C ATOM 524 CZ TYR A 37 4.711 -12.691 -10.420 1.00 0.00 C ATOM 525 OH TYR A 37 5.856 -13.426 -10.628 1.00 0.00 O ATOM 0 H TYR A 37 2.255 -8.201 -8.799 1.00 0.00 H new ATOM 0 HA TYR A 37 1.385 -9.109 -11.476 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.975 -10.292 -8.702 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.288 -10.946 -10.175 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.603 -10.037 -8.677 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.492 -12.565 -11.381 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.647 -11.346 -9.048 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.532 -13.879 -11.748 1.00 0.00 H new ATOM 0 HH TYR A 37 5.669 -14.150 -11.261 1.00 0.00 H new ATOM 535 N GLN A 38 -0.903 -8.188 -11.341 1.00 0.00 N ATOM 536 CA GLN A 38 -2.212 -7.547 -11.314 1.00 0.00 C ATOM 537 C GLN A 38 -3.197 -8.283 -12.217 1.00 0.00 C ATOM 538 O GLN A 38 -2.847 -8.706 -13.319 1.00 0.00 O ATOM 539 CB GLN A 38 -2.097 -6.085 -11.750 1.00 0.00 C ATOM 540 CG GLN A 38 -3.236 -5.210 -11.252 1.00 0.00 C ATOM 541 CD GLN A 38 -3.211 -3.820 -11.857 1.00 0.00 C ATOM 542 OE1 GLN A 38 -3.847 -3.564 -12.880 1.00 0.00 O ATOM 543 NE2 GLN A 38 -2.475 -2.913 -11.226 1.00 0.00 N ATOM 0 H GLN A 38 -0.614 -8.519 -12.262 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.586 -7.585 -10.291 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.153 -5.679 -11.387 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.065 -6.041 -12.839 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.187 -5.688 -11.488 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.180 -5.131 -10.166 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.964 -3.169 -10.381 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.420 -1.960 -11.586 1.00 0.00 H new ATOM 552 N ARG A 39 -4.429 -8.433 -11.742 1.00 0.00 N ATOM 553 CA ARG A 39 -5.464 -9.120 -12.505 1.00 0.00 C ATOM 554 C ARG A 39 -6.041 -8.206 -13.583 1.00 0.00 C ATOM 555 O ARG A 39 -5.799 -8.403 -14.774 1.00 0.00 O ATOM 556 CB ARG A 39 -6.581 -9.598 -11.576 1.00 0.00 C ATOM 557 CG ARG A 39 -7.275 -10.861 -12.058 1.00 0.00 C ATOM 558 CD ARG A 39 -8.008 -11.562 -10.924 1.00 0.00 C ATOM 559 NE ARG A 39 -8.587 -12.833 -11.349 1.00 0.00 N ATOM 560 CZ ARG A 39 -9.774 -12.940 -11.935 1.00 0.00 C ATOM 561 NH1 ARG A 39 -10.504 -11.857 -12.165 1.00 0.00 N ATOM 562 NH2 ARG A 39 -10.234 -14.132 -12.294 1.00 0.00 N ATOM 0 H ARG A 39 -4.735 -8.088 -10.832 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.009 -9.984 -12.989 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.165 -9.778 -10.585 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.321 -8.804 -11.472 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.982 -10.610 -12.849 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.539 -11.539 -12.491 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.317 -11.736 -10.099 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.798 -10.912 -10.547 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.051 -13.685 -11.187 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.154 -10.939 -11.892 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.415 -11.942 -12.615 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.676 -14.968 -12.120 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.146 -14.212 -12.744 1.00 0.00 H new ATOM 576 N LYS A 40 -6.805 -7.206 -13.157 1.00 0.00 N ATOM 577 CA LYS A 40 -7.417 -6.261 -14.083 1.00 0.00 C ATOM 578 C LYS A 40 -8.055 -5.097 -13.332 1.00 0.00 C ATOM 579 O LYS A 40 -9.068 -5.264 -12.654 1.00 0.00 O ATOM 580 CB LYS A 40 -8.470 -6.966 -14.942 1.00 0.00 C ATOM 581 CG LYS A 40 -7.916 -7.539 -16.235 1.00 0.00 C ATOM 582 CD LYS A 40 -8.968 -7.560 -17.331 1.00 0.00 C ATOM 583 CE LYS A 40 -8.418 -8.150 -18.620 1.00 0.00 C ATOM 584 NZ LYS A 40 -8.229 -9.624 -18.520 1.00 0.00 N ATOM 0 H LYS A 40 -7.015 -7.029 -12.175 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.633 -5.866 -14.730 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.921 -7.771 -14.361 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.266 -6.260 -15.179 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.062 -6.945 -16.561 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.552 -8.551 -16.059 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.828 -8.143 -17.001 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.323 -6.546 -17.516 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.099 -7.926 -19.441 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.465 -7.677 -18.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.917 -9.997 -19.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.509 -9.834 -17.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.128 -10.072 -18.251 1.00 0.00 H new ATOM 598 N GLY A 41 -7.454 -3.918 -13.457 1.00 0.00 N ATOM 599 CA GLY A 41 -7.979 -2.743 -12.785 1.00 0.00 C ATOM 600 C GLY A 41 -7.659 -2.732 -11.303 1.00 0.00 C ATOM 601 O GLY A 41 -7.237 -1.711 -10.760 1.00 0.00 O ATOM 0 H GLY A 41 -6.613 -3.755 -14.011 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.566 -1.848 -13.250 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.060 -2.703 -12.921 1.00 0.00 H new ATOM 605 N SER A 42 -7.862 -3.870 -10.647 1.00 0.00 N ATOM 606 CA SER A 42 -7.597 -3.986 -9.217 1.00 0.00 C ATOM 607 C SER A 42 -6.414 -3.113 -8.812 1.00 0.00 C ATOM 608 O SER A 42 -5.287 -3.332 -9.254 1.00 0.00 O ATOM 609 CB SER A 42 -7.322 -5.444 -8.844 1.00 0.00 C ATOM 610 OG SER A 42 -7.668 -5.699 -7.494 1.00 0.00 O ATOM 0 H SER A 42 -8.209 -4.725 -11.082 1.00 0.00 H new ATOM 0 HA SER A 42 -8.481 -3.642 -8.679 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.891 -6.104 -9.499 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.267 -5.670 -9.001 1.00 0.00 H new ATOM 0 HG SER A 42 -7.484 -6.638 -7.281 1.00 0.00 H new ATOM 616 N ALA A 43 -6.679 -2.122 -7.966 1.00 0.00 N ATOM 617 CA ALA A 43 -5.637 -1.217 -7.499 1.00 0.00 C ATOM 618 C ALA A 43 -4.821 -1.852 -6.377 1.00 0.00 C ATOM 619 O ALA A 43 -4.509 -1.202 -5.379 1.00 0.00 O ATOM 620 CB ALA A 43 -6.249 0.095 -7.031 1.00 0.00 C ATOM 0 H ALA A 43 -7.607 -1.926 -7.590 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.965 -1.015 -8.333 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.459 0.762 -6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.782 0.563 -7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.944 -0.099 -6.214 1.00 0.00 H new ATOM 626 N HIS A 44 -4.480 -3.125 -6.548 1.00 0.00 N ATOM 627 CA HIS A 44 -3.700 -3.848 -5.550 1.00 0.00 C ATOM 628 C HIS A 44 -2.716 -4.804 -6.217 1.00 0.00 C ATOM 629 O HIS A 44 -3.116 -5.746 -6.902 1.00 0.00 O ATOM 630 CB HIS A 44 -4.626 -4.623 -4.612 1.00 0.00 C ATOM 631 CG HIS A 44 -5.307 -3.761 -3.595 1.00 0.00 C ATOM 632 ND1 HIS A 44 -4.638 -2.833 -2.825 1.00 0.00 N ATOM 633 CD2 HIS A 44 -6.607 -3.688 -3.224 1.00 0.00 C ATOM 634 CE1 HIS A 44 -5.496 -2.228 -2.024 1.00 0.00 C ATOM 635 NE2 HIS A 44 -6.698 -2.728 -2.246 1.00 0.00 N ATOM 0 H HIS A 44 -4.731 -3.677 -7.368 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.134 -3.119 -4.970 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.382 -5.137 -5.205 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.048 -5.391 -4.097 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.421 -4.275 -3.623 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.256 -1.455 -1.309 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.555 -2.447 -1.769 1.00 0.00 H new ATOM 644 N LEU A 45 -1.427 -4.555 -6.014 1.00 0.00 N ATOM 645 CA LEU A 45 -0.384 -5.393 -6.596 1.00 0.00 C ATOM 646 C LEU A 45 -0.046 -6.561 -5.675 1.00 0.00 C ATOM 647 O LEU A 45 -0.479 -6.602 -4.523 1.00 0.00 O ATOM 648 CB LEU A 45 0.872 -4.563 -6.868 1.00 0.00 C ATOM 649 CG LEU A 45 0.689 -3.348 -7.778 1.00 0.00 C ATOM 650 CD1 LEU A 45 1.975 -2.539 -7.852 1.00 0.00 C ATOM 651 CD2 LEU A 45 0.250 -3.783 -9.168 1.00 0.00 C ATOM 0 H LEU A 45 -1.079 -3.779 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.758 -5.794 -7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.270 -4.220 -5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.625 -5.214 -7.312 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.091 -2.715 -7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.826 -1.678 -8.504 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.247 -2.196 -6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.775 -3.163 -8.251 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.125 -2.905 -9.801 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.007 -4.437 -9.600 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.697 -4.319 -9.099 1.00 0.00 H new ATOM 663 N PHE A 46 0.731 -7.508 -6.190 1.00 0.00 N ATOM 664 CA PHE A 46 1.129 -8.676 -5.413 1.00 0.00 C ATOM 665 C PHE A 46 2.597 -9.014 -5.653 1.00 0.00 C ATOM 666 O PHE A 46 3.158 -8.690 -6.700 1.00 0.00 O ATOM 667 CB PHE A 46 0.252 -9.877 -5.773 1.00 0.00 C ATOM 668 CG PHE A 46 -1.203 -9.672 -5.460 1.00 0.00 C ATOM 669 CD1 PHE A 46 -1.685 -9.877 -4.177 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.089 -9.274 -6.449 1.00 0.00 C ATOM 671 CE1 PHE A 46 -3.023 -9.690 -3.887 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.428 -9.085 -6.164 1.00 0.00 C ATOM 673 CZ PHE A 46 -3.895 -9.292 -4.881 1.00 0.00 C ATOM 0 H PHE A 46 1.097 -7.490 -7.142 1.00 0.00 H new ATOM 0 HA PHE A 46 0.996 -8.441 -4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.360 -10.090 -6.837 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.611 -10.754 -5.234 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.007 -10.186 -3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.729 -9.110 -7.454 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.387 -9.855 -2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.108 -8.776 -6.944 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.941 -9.143 -4.655 1.00 0.00 H new ATOM 683 N CYS A 47 3.215 -9.668 -4.674 1.00 0.00 N ATOM 684 CA CYS A 47 4.618 -10.051 -4.776 1.00 0.00 C ATOM 685 C CYS A 47 4.791 -11.241 -5.716 1.00 0.00 C ATOM 686 O CYS A 47 5.762 -11.315 -6.468 1.00 0.00 O ATOM 687 CB CYS A 47 5.177 -10.393 -3.394 1.00 0.00 C ATOM 688 SG CYS A 47 4.613 -11.997 -2.740 1.00 0.00 S ATOM 0 H CYS A 47 2.765 -9.944 -3.801 1.00 0.00 H new ATOM 0 HA CYS A 47 5.170 -9.205 -5.185 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.266 -10.396 -3.445 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.893 -9.607 -2.694 1.00 0.00 H new ATOM 0 HG CYS A 47 4.174 -11.841 -1.526 1.00 0.00 H new ATOM 693 N SER A 48 3.841 -12.170 -5.665 1.00 0.00 N ATOM 694 CA SER A 48 3.889 -13.358 -6.509 1.00 0.00 C ATOM 695 C SER A 48 2.490 -13.927 -6.726 1.00 0.00 C ATOM 696 O SER A 48 1.580 -13.692 -5.931 1.00 0.00 O ATOM 697 CB SER A 48 4.791 -14.421 -5.878 1.00 0.00 C ATOM 698 OG SER A 48 4.870 -15.575 -6.697 1.00 0.00 O ATOM 0 H SER A 48 3.030 -12.123 -5.049 1.00 0.00 H new ATOM 0 HA SER A 48 4.300 -13.070 -7.477 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.789 -14.011 -5.725 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.405 -14.694 -4.896 1.00 0.00 H new ATOM 0 HG SER A 48 5.453 -16.238 -6.272 1.00 0.00 H new ATOM 704 N THR A 49 2.326 -14.678 -7.811 1.00 0.00 N ATOM 705 CA THR A 49 1.039 -15.280 -8.136 1.00 0.00 C ATOM 706 C THR A 49 0.407 -15.923 -6.907 1.00 0.00 C ATOM 707 O THR A 49 -0.761 -15.682 -6.598 1.00 0.00 O ATOM 708 CB THR A 49 1.179 -16.342 -9.242 1.00 0.00 C ATOM 709 OG1 THR A 49 2.225 -17.261 -8.909 1.00 0.00 O ATOM 710 CG2 THR A 49 1.477 -15.691 -10.584 1.00 0.00 C ATOM 0 H THR A 49 3.069 -14.884 -8.479 1.00 0.00 H new ATOM 0 HA THR A 49 0.395 -14.476 -8.494 1.00 0.00 H new ATOM 0 HB THR A 49 0.234 -16.880 -9.320 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.307 -17.934 -9.617 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.572 -16.462 -11.349 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.664 -15.015 -10.849 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.409 -15.130 -10.517 1.00 0.00 H new ATOM 718 N THR A 50 1.185 -16.742 -6.206 1.00 0.00 N ATOM 719 CA THR A 50 0.701 -17.420 -5.011 1.00 0.00 C ATOM 720 C THR A 50 -0.217 -16.514 -4.199 1.00 0.00 C ATOM 721 O THR A 50 -1.249 -16.954 -3.689 1.00 0.00 O ATOM 722 CB THR A 50 1.867 -17.883 -4.117 1.00 0.00 C ATOM 723 OG1 THR A 50 1.360 -18.556 -2.959 1.00 0.00 O ATOM 724 CG2 THR A 50 2.723 -16.701 -3.688 1.00 0.00 C ATOM 0 H THR A 50 2.154 -16.952 -6.446 1.00 0.00 H new ATOM 0 HA THR A 50 0.141 -18.293 -5.347 1.00 0.00 H new ATOM 0 HB THR A 50 2.487 -18.570 -4.694 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.108 -18.848 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.540 -17.053 -3.058 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.132 -16.209 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.112 -15.993 -3.128 1.00 0.00 H new ATOM 732 N CYS A 51 0.162 -15.246 -4.082 1.00 0.00 N ATOM 733 CA CYS A 51 -0.628 -14.277 -3.332 1.00 0.00 C ATOM 734 C CYS A 51 -1.779 -13.742 -4.178 1.00 0.00 C ATOM 735 O CYS A 51 -2.926 -13.702 -3.732 1.00 0.00 O ATOM 736 CB CYS A 51 0.257 -13.120 -2.864 1.00 0.00 C ATOM 737 SG CYS A 51 1.344 -13.535 -1.463 1.00 0.00 S ATOM 0 H CYS A 51 1.012 -14.865 -4.497 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.045 -14.782 -2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.871 -12.785 -3.700 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.379 -12.282 -2.580 1.00 0.00 H new ATOM 0 HG CYS A 51 2.543 -13.091 -1.698 1.00 0.00 H new ATOM 742 N LEU A 52 -1.465 -13.331 -5.402 1.00 0.00 N ATOM 743 CA LEU A 52 -2.472 -12.798 -6.313 1.00 0.00 C ATOM 744 C LEU A 52 -3.768 -13.598 -6.220 1.00 0.00 C ATOM 745 O LEU A 52 -4.845 -13.034 -6.025 1.00 0.00 O ATOM 746 CB LEU A 52 -1.950 -12.817 -7.750 1.00 0.00 C ATOM 747 CG LEU A 52 -3.004 -12.675 -8.849 1.00 0.00 C ATOM 748 CD1 LEU A 52 -3.316 -11.208 -9.103 1.00 0.00 C ATOM 749 CD2 LEU A 52 -2.535 -13.351 -10.129 1.00 0.00 C ATOM 0 H LEU A 52 -0.521 -13.357 -5.786 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.680 -11.768 -6.023 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.225 -12.011 -7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.413 -13.752 -7.908 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.917 -13.168 -8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.068 -11.127 -9.888 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.696 -10.753 -8.188 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.408 -10.692 -9.415 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.298 -13.240 -10.900 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.608 -12.888 -10.466 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.363 -14.410 -9.939 1.00 0.00 H new ATOM 761 N SER A 53 -3.655 -14.915 -6.358 1.00 0.00 N ATOM 762 CA SER A 53 -4.818 -15.793 -6.291 1.00 0.00 C ATOM 763 C SER A 53 -5.286 -15.966 -4.849 1.00 0.00 C ATOM 764 O SER A 53 -6.460 -15.770 -4.538 1.00 0.00 O ATOM 765 CB SER A 53 -4.489 -17.158 -6.900 1.00 0.00 C ATOM 766 OG SER A 53 -4.260 -17.052 -8.294 1.00 0.00 O ATOM 0 H SER A 53 -2.771 -15.398 -6.517 1.00 0.00 H new ATOM 0 HA SER A 53 -5.623 -15.333 -6.863 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.606 -17.574 -6.414 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.311 -17.850 -6.715 1.00 0.00 H new ATOM 0 HG SER A 53 -4.050 -17.937 -8.659 1.00 0.00 H new ATOM 772 N SER A 54 -4.357 -16.336 -3.973 1.00 0.00 N ATOM 773 CA SER A 54 -4.673 -16.540 -2.564 1.00 0.00 C ATOM 774 C SER A 54 -5.606 -15.446 -2.053 1.00 0.00 C ATOM 775 O SER A 54 -6.575 -15.721 -1.344 1.00 0.00 O ATOM 776 CB SER A 54 -3.391 -16.563 -1.730 1.00 0.00 C ATOM 777 OG SER A 54 -2.848 -17.870 -1.667 1.00 0.00 O ATOM 0 H SER A 54 -3.380 -16.501 -4.214 1.00 0.00 H new ATOM 0 HA SER A 54 -5.179 -17.500 -2.466 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.659 -15.882 -2.164 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.602 -16.204 -0.723 1.00 0.00 H new ATOM 0 HG SER A 54 -2.127 -17.957 -2.325 1.00 0.00 H new ATOM 783 N PHE A 55 -5.307 -14.204 -2.418 1.00 0.00 N ATOM 784 CA PHE A 55 -6.117 -13.067 -1.996 1.00 0.00 C ATOM 785 C PHE A 55 -7.605 -13.377 -2.136 1.00 0.00 C ATOM 786 O PHE A 55 -8.386 -13.153 -1.211 1.00 0.00 O ATOM 787 CB PHE A 55 -5.764 -11.828 -2.821 1.00 0.00 C ATOM 788 CG PHE A 55 -6.398 -10.566 -2.310 1.00 0.00 C ATOM 789 CD1 PHE A 55 -5.913 -9.943 -1.171 1.00 0.00 C ATOM 790 CD2 PHE A 55 -7.480 -10.003 -2.967 1.00 0.00 C ATOM 791 CE1 PHE A 55 -6.494 -8.782 -0.698 1.00 0.00 C ATOM 792 CE2 PHE A 55 -8.065 -8.841 -2.499 1.00 0.00 C ATOM 793 CZ PHE A 55 -7.572 -8.231 -1.362 1.00 0.00 C ATOM 0 H PHE A 55 -4.510 -13.959 -3.005 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.902 -12.870 -0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.681 -11.703 -2.829 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.074 -11.989 -3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.071 -10.370 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.871 -10.477 -3.855 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.105 -8.306 0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.906 -8.411 -3.022 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.029 -7.325 -0.993 1.00 0.00 H new ATOM 803 N SER A 56 -7.989 -13.895 -3.298 1.00 0.00 N ATOM 804 CA SER A 56 -9.382 -14.233 -3.562 1.00 0.00 C ATOM 805 C SER A 56 -9.629 -15.724 -3.354 1.00 0.00 C ATOM 806 O SER A 56 -9.700 -16.492 -4.312 1.00 0.00 O ATOM 807 CB SER A 56 -9.765 -13.835 -4.989 1.00 0.00 C ATOM 808 OG SER A 56 -11.167 -13.908 -5.180 1.00 0.00 O ATOM 0 H SER A 56 -7.354 -14.090 -4.072 1.00 0.00 H new ATOM 0 HA SER A 56 -10.003 -13.678 -2.859 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.419 -12.821 -5.192 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.263 -14.491 -5.700 1.00 0.00 H new ATOM 0 HG SER A 56 -11.386 -13.647 -6.099 1.00 0.00 H new