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 148:sc= 1.85 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.021 K(o=0.7,f=-1.1) USER MOD Set 1.3: A 26 CYS SG : rot -51:sc= 0.435 USER MOD Set 1.4: A 47 CYS SG : rot -134:sc= -0.572! USER MOD Set 1.5: A 51 CYS SG : rot 132:sc= -0.99 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+ -177:sc= 0 (180deg=-0.00653) USER MOD Single : A 31 GLN : amide:sc= -2.4! C(o=-2.4!,f=-2.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0691 X(o=-0.069,f=-0.26) USER MOD Single : A 48 SER OG : rot 180:sc=-0.00104 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00557 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -52:sc= 0.461 USER MOD ----------------------------------------------------------------- ATOM 251 N LYS A 20 6.191 3.385 -0.156 1.00 0.00 N ATOM 252 CA LYS A 20 6.591 2.273 -1.009 1.00 0.00 C ATOM 253 C LYS A 20 5.398 1.376 -1.328 1.00 0.00 C ATOM 254 O LYS A 20 4.281 1.630 -0.876 1.00 0.00 O ATOM 255 CB LYS A 20 7.692 1.453 -0.332 1.00 0.00 C ATOM 256 CG LYS A 20 7.232 0.741 0.928 1.00 0.00 C ATOM 257 CD LYS A 20 8.388 0.497 1.883 1.00 0.00 C ATOM 258 CE LYS A 20 8.813 1.778 2.584 1.00 0.00 C ATOM 259 NZ LYS A 20 10.218 1.706 3.070 1.00 0.00 N ATOM 0 HA LYS A 20 6.975 2.684 -1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.070 0.715 -1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.524 2.112 -0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.467 1.337 1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.771 -0.210 0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.097 -0.246 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.234 0.084 1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.709 2.619 1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.147 1.969 3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.468 2.598 3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.312 0.920 3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.856 1.549 2.264 1.00 0.00 H new ATOM 273 N ILE A 21 5.644 0.327 -2.105 1.00 0.00 N ATOM 274 CA ILE A 21 4.590 -0.608 -2.481 1.00 0.00 C ATOM 275 C ILE A 21 4.767 -1.948 -1.775 1.00 0.00 C ATOM 276 O ILE A 21 5.881 -2.462 -1.664 1.00 0.00 O ATOM 277 CB ILE A 21 4.562 -0.842 -4.003 1.00 0.00 C ATOM 278 CG1 ILE A 21 4.412 0.489 -4.743 1.00 0.00 C ATOM 279 CG2 ILE A 21 3.430 -1.789 -4.372 1.00 0.00 C ATOM 280 CD1 ILE A 21 4.663 0.385 -6.231 1.00 0.00 C ATOM 0 H ILE A 21 6.563 0.103 -2.486 1.00 0.00 H new ATOM 0 HA ILE A 21 3.645 -0.160 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 21 5.505 -1.299 -4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.406 0.875 -4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.105 1.213 -4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.423 -1.945 -5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.576 -2.745 -3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.479 -1.357 -4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.539 1.366 -6.690 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.678 0.029 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.953 -0.314 -6.672 1.00 0.00 H new ATOM 292 N THR A 22 3.660 -2.511 -1.300 1.00 0.00 N ATOM 293 CA THR A 22 3.692 -3.791 -0.605 1.00 0.00 C ATOM 294 C THR A 22 2.614 -4.730 -1.133 1.00 0.00 C ATOM 295 O THR A 22 1.521 -4.295 -1.498 1.00 0.00 O ATOM 296 CB THR A 22 3.502 -3.612 0.913 1.00 0.00 C ATOM 297 OG1 THR A 22 2.464 -2.659 1.168 1.00 0.00 O ATOM 298 CG2 THR A 22 4.794 -3.150 1.570 1.00 0.00 C ATOM 0 H THR A 22 2.730 -2.100 -1.384 1.00 0.00 H new ATOM 0 HA THR A 22 4.673 -4.227 -0.792 1.00 0.00 H new ATOM 0 HB THR A 22 3.222 -4.576 1.338 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.348 -2.552 2.135 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.635 -3.031 2.642 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.574 -3.892 1.399 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.100 -2.196 1.140 1.00 0.00 H new ATOM 306 N CYS A 23 2.927 -6.021 -1.172 1.00 0.00 N ATOM 307 CA CYS A 23 1.985 -7.023 -1.656 1.00 0.00 C ATOM 308 C CYS A 23 0.599 -6.801 -1.055 1.00 0.00 C ATOM 309 O CYS A 23 0.466 -6.506 0.132 1.00 0.00 O ATOM 310 CB CYS A 23 2.482 -8.429 -1.313 1.00 0.00 C ATOM 311 SG CYS A 23 1.338 -9.761 -1.799 1.00 0.00 S ATOM 0 H CYS A 23 3.827 -6.398 -0.874 1.00 0.00 H new ATOM 0 HA CYS A 23 1.913 -6.925 -2.739 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.442 -8.593 -1.802 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.657 -8.489 -0.239 1.00 0.00 H new ATOM 0 HG CYS A 23 2.018 -10.819 -2.127 1.00 0.00 H new ATOM 316 N ALA A 24 -0.429 -6.947 -1.884 1.00 0.00 N ATOM 317 CA ALA A 24 -1.804 -6.766 -1.435 1.00 0.00 C ATOM 318 C ALA A 24 -2.342 -8.036 -0.786 1.00 0.00 C ATOM 319 O ALA A 24 -3.553 -8.233 -0.695 1.00 0.00 O ATOM 320 CB ALA A 24 -2.689 -6.350 -2.601 1.00 0.00 C ATOM 0 H ALA A 24 -0.336 -7.190 -2.870 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.814 -5.975 -0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.713 -6.218 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.324 -5.411 -3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.664 -7.122 -3.370 1.00 0.00 H new ATOM 326 N ASN A 25 -1.433 -8.896 -0.338 1.00 0.00 N ATOM 327 CA ASN A 25 -1.818 -10.150 0.302 1.00 0.00 C ATOM 328 C ASN A 25 -1.026 -10.369 1.588 1.00 0.00 C ATOM 329 O ASN A 25 -1.600 -10.471 2.673 1.00 0.00 O ATOM 330 CB ASN A 25 -1.594 -11.323 -0.654 1.00 0.00 C ATOM 331 CG ASN A 25 -2.400 -12.548 -0.264 1.00 0.00 C ATOM 332 OD1 ASN A 25 -3.578 -12.663 -0.602 1.00 0.00 O ATOM 333 ND2 ASN A 25 -1.766 -13.469 0.452 1.00 0.00 N ATOM 0 H ASN A 25 -0.426 -8.748 -0.406 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.877 -10.092 0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.864 -11.020 -1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.534 -11.578 -0.670 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.256 -14.314 0.745 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.789 -13.331 0.709 1.00 0.00 H new ATOM 340 N CYS A 26 0.294 -10.440 1.459 1.00 0.00 N ATOM 341 CA CYS A 26 1.165 -10.647 2.609 1.00 0.00 C ATOM 342 C CYS A 26 1.666 -9.314 3.159 1.00 0.00 C ATOM 343 O CYS A 26 2.166 -9.241 4.281 1.00 0.00 O ATOM 344 CB CYS A 26 2.353 -11.531 2.223 1.00 0.00 C ATOM 345 SG CYS A 26 3.302 -10.919 0.794 1.00 0.00 S ATOM 0 H CYS A 26 0.784 -10.357 0.568 1.00 0.00 H new ATOM 0 HA CYS A 26 0.587 -11.146 3.386 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.022 -11.617 3.080 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.989 -12.534 2.001 1.00 0.00 H new ATOM 0 HG CYS A 26 2.491 -10.667 -0.190 1.00 0.00 H new ATOM 350 N LYS A 27 1.529 -8.262 2.359 1.00 0.00 N ATOM 351 CA LYS A 27 1.965 -6.930 2.764 1.00 0.00 C ATOM 352 C LYS A 27 3.479 -6.887 2.949 1.00 0.00 C ATOM 353 O LYS A 27 3.979 -6.354 3.940 1.00 0.00 O ATOM 354 CB LYS A 27 1.270 -6.517 4.063 1.00 0.00 C ATOM 355 CG LYS A 27 -0.246 -6.540 3.976 1.00 0.00 C ATOM 356 CD LYS A 27 -0.795 -5.230 3.437 1.00 0.00 C ATOM 357 CE LYS A 27 -0.669 -4.111 4.460 1.00 0.00 C ATOM 358 NZ LYS A 27 -1.467 -2.914 4.074 1.00 0.00 N ATOM 0 H LYS A 27 1.119 -8.306 1.426 1.00 0.00 H new ATOM 0 HA LYS A 27 1.693 -6.229 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.590 -7.184 4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.595 -5.513 4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.562 -7.360 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.665 -6.732 4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.259 -4.956 2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.842 -5.358 3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.001 -4.470 5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.379 -3.831 4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.355 -2.174 4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.133 -2.556 3.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.471 -3.175 3.999 1.00 0.00 H new ATOM 372 N LYS A 28 4.204 -7.449 1.988 1.00 0.00 N ATOM 373 CA LYS A 28 5.661 -7.472 2.042 1.00 0.00 C ATOM 374 C LYS A 28 6.254 -6.320 1.238 1.00 0.00 C ATOM 375 O LYS A 28 5.723 -5.916 0.203 1.00 0.00 O ATOM 376 CB LYS A 28 6.190 -8.805 1.509 1.00 0.00 C ATOM 377 CG LYS A 28 6.345 -9.871 2.581 1.00 0.00 C ATOM 378 CD LYS A 28 6.912 -11.159 2.009 1.00 0.00 C ATOM 379 CE LYS A 28 6.766 -12.315 2.987 1.00 0.00 C ATOM 380 NZ LYS A 28 7.539 -12.083 4.238 1.00 0.00 N ATOM 0 H LYS A 28 3.806 -7.895 1.162 1.00 0.00 H new ATOM 0 HA LYS A 28 5.963 -7.358 3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.513 -9.173 0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.156 -8.638 1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.001 -9.502 3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.376 -10.071 3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.399 -11.402 1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.965 -11.018 1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.713 -12.453 3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.107 -13.236 2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.455 -12.914 4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.540 -11.925 4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.163 -11.247 4.729 1.00 0.00 H new ATOM 394 N PRO A 29 7.381 -5.777 1.722 1.00 0.00 N ATOM 395 CA PRO A 29 8.071 -4.665 1.063 1.00 0.00 C ATOM 396 C PRO A 29 8.721 -5.084 -0.252 1.00 0.00 C ATOM 397 O PRO A 29 9.843 -5.593 -0.267 1.00 0.00 O ATOM 398 CB PRO A 29 9.138 -4.256 2.081 1.00 0.00 C ATOM 399 CG PRO A 29 9.385 -5.485 2.885 1.00 0.00 C ATOM 400 CD PRO A 29 8.068 -6.209 2.951 1.00 0.00 C ATOM 0 HA PRO A 29 7.386 -3.860 0.797 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.048 -3.917 1.586 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.792 -3.435 2.709 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.150 -6.108 2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.742 -5.233 3.883 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.204 -7.290 2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.504 -5.938 3.843 1.00 0.00 H new ATOM 408 N LEU A 30 8.011 -4.866 -1.353 1.00 0.00 N ATOM 409 CA LEU A 30 8.520 -5.221 -2.674 1.00 0.00 C ATOM 410 C LEU A 30 9.543 -4.197 -3.156 1.00 0.00 C ATOM 411 O LEU A 30 9.225 -3.020 -3.324 1.00 0.00 O ATOM 412 CB LEU A 30 7.368 -5.320 -3.676 1.00 0.00 C ATOM 413 CG LEU A 30 6.163 -6.150 -3.233 1.00 0.00 C ATOM 414 CD1 LEU A 30 4.952 -5.836 -4.098 1.00 0.00 C ATOM 415 CD2 LEU A 30 6.489 -7.635 -3.288 1.00 0.00 C ATOM 0 H LEU A 30 7.082 -4.445 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 30 9.012 -6.191 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.025 -4.311 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.755 -5.743 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 30 5.925 -5.889 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.104 -6.436 -3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.705 -4.778 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.178 -6.068 -5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.620 -8.210 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.753 -7.912 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.328 -7.848 -2.626 1.00 0.00 H new ATOM 427 N GLN A 31 10.770 -4.655 -3.379 1.00 0.00 N ATOM 428 CA GLN A 31 11.839 -3.779 -3.844 1.00 0.00 C ATOM 429 C GLN A 31 11.466 -3.120 -5.168 1.00 0.00 C ATOM 430 O GLN A 31 11.027 -3.789 -6.105 1.00 0.00 O ATOM 431 CB GLN A 31 13.141 -4.566 -4.002 1.00 0.00 C ATOM 432 CG GLN A 31 13.743 -5.016 -2.680 1.00 0.00 C ATOM 433 CD GLN A 31 12.858 -6.000 -1.940 1.00 0.00 C ATOM 434 OE1 GLN A 31 12.416 -5.735 -0.822 1.00 0.00 O ATOM 435 NE2 GLN A 31 12.593 -7.143 -2.562 1.00 0.00 N ATOM 0 H GLN A 31 11.049 -5.627 -3.245 1.00 0.00 H new ATOM 0 HA GLN A 31 11.984 -2.998 -3.098 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.954 -5.442 -4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.867 -3.949 -4.531 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.714 -5.475 -2.865 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.917 -4.144 -2.049 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.981 -7.321 -3.489 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.002 -7.843 -2.113 1.00 0.00 H new ATOM 444 N LYS A 32 11.643 -1.806 -5.240 1.00 0.00 N ATOM 445 CA LYS A 32 11.326 -1.056 -6.450 1.00 0.00 C ATOM 446 C LYS A 32 12.080 -1.616 -7.651 1.00 0.00 C ATOM 447 O LYS A 32 13.287 -1.421 -7.785 1.00 0.00 O ATOM 448 CB LYS A 32 11.671 0.424 -6.263 1.00 0.00 C ATOM 449 CG LYS A 32 13.126 0.667 -5.899 1.00 0.00 C ATOM 450 CD LYS A 32 13.315 2.019 -5.233 1.00 0.00 C ATOM 451 CE LYS A 32 14.769 2.255 -4.852 1.00 0.00 C ATOM 452 NZ LYS A 32 15.160 1.474 -3.646 1.00 0.00 N ATOM 0 H LYS A 32 12.005 -1.237 -4.474 1.00 0.00 H new ATOM 0 HA LYS A 32 10.257 -1.153 -6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.440 0.961 -7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.035 0.841 -5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.471 -0.121 -5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.741 0.614 -6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.982 2.808 -5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.690 2.077 -4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.413 1.980 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.927 3.317 -4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.157 1.662 -3.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.563 1.755 -2.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.033 0.459 -3.834 1.00 0.00 H new ATOM 466 N GLY A 33 11.359 -2.313 -8.525 1.00 0.00 N ATOM 467 CA GLY A 33 11.977 -2.890 -9.704 1.00 0.00 C ATOM 468 C GLY A 33 11.514 -4.310 -9.965 1.00 0.00 C ATOM 469 O GLY A 33 11.271 -4.688 -11.111 1.00 0.00 O ATOM 0 H GLY A 33 10.358 -2.488 -8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.747 -2.271 -10.571 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.060 -2.881 -9.584 1.00 0.00 H new ATOM 473 N GLN A 34 11.395 -5.097 -8.901 1.00 0.00 N ATOM 474 CA GLN A 34 10.961 -6.484 -9.022 1.00 0.00 C ATOM 475 C GLN A 34 9.596 -6.570 -9.696 1.00 0.00 C ATOM 476 O GLN A 34 8.714 -5.747 -9.445 1.00 0.00 O ATOM 477 CB GLN A 34 10.906 -7.145 -7.644 1.00 0.00 C ATOM 478 CG GLN A 34 12.270 -7.314 -6.995 1.00 0.00 C ATOM 479 CD GLN A 34 13.263 -8.019 -7.898 1.00 0.00 C ATOM 480 OE1 GLN A 34 13.111 -9.202 -8.204 1.00 0.00 O ATOM 481 NE2 GLN A 34 14.288 -7.294 -8.331 1.00 0.00 N ATOM 0 H GLN A 34 11.593 -4.798 -7.946 1.00 0.00 H new ATOM 0 HA GLN A 34 11.685 -7.013 -9.642 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.273 -6.547 -6.989 1.00 0.00 H new ATOM 0 HB3 GLN A 34 10.434 -8.123 -7.738 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.663 -6.334 -6.724 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.160 -7.880 -6.070 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.375 -6.317 -8.053 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.988 -7.715 -8.942 1.00 0.00 H new ATOM 490 N THR A 35 9.426 -7.572 -10.553 1.00 0.00 N ATOM 491 CA THR A 35 8.169 -7.765 -11.264 1.00 0.00 C ATOM 492 C THR A 35 7.021 -8.013 -10.293 1.00 0.00 C ATOM 493 O THR A 35 7.173 -8.736 -9.309 1.00 0.00 O ATOM 494 CB THR A 35 8.257 -8.946 -12.250 1.00 0.00 C ATOM 495 OG1 THR A 35 9.277 -8.696 -13.223 1.00 0.00 O ATOM 496 CG2 THR A 35 6.924 -9.167 -12.950 1.00 0.00 C ATOM 0 H THR A 35 10.144 -8.263 -10.771 1.00 0.00 H new ATOM 0 HA THR A 35 7.977 -6.849 -11.822 1.00 0.00 H new ATOM 0 HB THR A 35 8.506 -9.845 -11.686 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.328 -9.452 -13.845 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.011 -10.006 -13.641 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.156 -9.386 -12.209 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.650 -8.268 -13.503 1.00 0.00 H new ATOM 504 N ALA A 36 5.871 -7.410 -10.577 1.00 0.00 N ATOM 505 CA ALA A 36 4.696 -7.568 -9.729 1.00 0.00 C ATOM 506 C ALA A 36 3.523 -8.140 -10.519 1.00 0.00 C ATOM 507 O ALA A 36 3.408 -7.921 -11.725 1.00 0.00 O ATOM 508 CB ALA A 36 4.313 -6.235 -9.103 1.00 0.00 C ATOM 0 H ALA A 36 5.728 -6.808 -11.388 1.00 0.00 H new ATOM 0 HA ALA A 36 4.944 -8.272 -8.934 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.434 -6.368 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.141 -5.866 -8.498 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.089 -5.514 -9.890 1.00 0.00 H new ATOM 514 N TYR A 37 2.655 -8.874 -9.831 1.00 0.00 N ATOM 515 CA TYR A 37 1.492 -9.480 -10.469 1.00 0.00 C ATOM 516 C TYR A 37 0.211 -8.755 -10.067 1.00 0.00 C ATOM 517 O TYR A 37 -0.035 -8.517 -8.885 1.00 0.00 O ATOM 518 CB TYR A 37 1.393 -10.960 -10.095 1.00 0.00 C ATOM 519 CG TYR A 37 2.613 -11.765 -10.482 1.00 0.00 C ATOM 520 CD1 TYR A 37 3.756 -11.754 -9.691 1.00 0.00 C ATOM 521 CD2 TYR A 37 2.624 -12.535 -11.638 1.00 0.00 C ATOM 522 CE1 TYR A 37 4.873 -12.488 -10.041 1.00 0.00 C ATOM 523 CE2 TYR A 37 3.736 -13.272 -11.995 1.00 0.00 C ATOM 524 CZ TYR A 37 4.858 -13.245 -11.193 1.00 0.00 C ATOM 525 OH TYR A 37 5.969 -13.978 -11.545 1.00 0.00 O ATOM 0 H TYR A 37 2.735 -9.064 -8.832 1.00 0.00 H new ATOM 0 HA TYR A 37 1.614 -9.392 -11.549 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.238 -11.045 -9.019 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.516 -11.390 -10.578 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.771 -11.162 -8.788 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.748 -12.558 -12.269 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.753 -12.469 -9.415 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.727 -13.866 -12.897 1.00 0.00 H new ATOM 0 HH TYR A 37 5.794 -14.456 -12.382 1.00 0.00 H new ATOM 535 N GLN A 38 -0.601 -8.408 -11.060 1.00 0.00 N ATOM 536 CA GLN A 38 -1.857 -7.711 -10.811 1.00 0.00 C ATOM 537 C GLN A 38 -2.949 -8.201 -11.757 1.00 0.00 C ATOM 538 O GLN A 38 -2.675 -8.924 -12.715 1.00 0.00 O ATOM 539 CB GLN A 38 -1.667 -6.201 -10.971 1.00 0.00 C ATOM 540 CG GLN A 38 -1.442 -5.766 -12.410 1.00 0.00 C ATOM 541 CD GLN A 38 -0.833 -4.381 -12.512 1.00 0.00 C ATOM 542 OE1 GLN A 38 0.372 -4.234 -12.720 1.00 0.00 O ATOM 543 NE2 GLN A 38 -1.664 -3.356 -12.366 1.00 0.00 N ATOM 0 H GLN A 38 -0.412 -8.598 -12.044 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.165 -7.925 -9.788 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.545 -5.689 -10.578 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.817 -5.884 -10.367 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.788 -6.484 -12.905 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.393 -5.781 -12.943 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.655 -3.524 -12.195 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.311 -2.401 -12.425 1.00 0.00 H new ATOM 552 N ARG A 39 -4.186 -7.804 -11.480 1.00 0.00 N ATOM 553 CA ARG A 39 -5.320 -8.204 -12.305 1.00 0.00 C ATOM 554 C ARG A 39 -5.864 -7.017 -13.094 1.00 0.00 C ATOM 555 O ARG A 39 -5.698 -5.864 -12.696 1.00 0.00 O ATOM 556 CB ARG A 39 -6.426 -8.802 -11.434 1.00 0.00 C ATOM 557 CG ARG A 39 -6.168 -10.243 -11.025 1.00 0.00 C ATOM 558 CD ARG A 39 -6.749 -11.221 -12.033 1.00 0.00 C ATOM 559 NE ARG A 39 -5.907 -11.352 -13.219 1.00 0.00 N ATOM 560 CZ ARG A 39 -4.871 -12.181 -13.297 1.00 0.00 C ATOM 561 NH1 ARG A 39 -4.553 -12.949 -12.264 1.00 0.00 N ATOM 562 NH2 ARG A 39 -4.152 -12.242 -14.410 1.00 0.00 N ATOM 0 H ARG A 39 -4.429 -7.206 -10.691 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.975 -8.959 -13.011 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.539 -8.193 -10.537 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.371 -8.751 -11.975 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.095 -10.409 -10.932 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.605 -10.428 -10.044 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.868 -12.197 -11.563 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.743 -10.887 -12.330 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.126 -10.776 -14.032 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.104 -12.905 -11.407 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.757 -13.584 -12.327 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.394 -11.653 -15.206 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.357 -12.878 -14.469 1.00 0.00 H new ATOM 576 N LYS A 40 -6.515 -7.308 -14.216 1.00 0.00 N ATOM 577 CA LYS A 40 -7.085 -6.266 -15.062 1.00 0.00 C ATOM 578 C LYS A 40 -8.246 -5.569 -14.359 1.00 0.00 C ATOM 579 O LYS A 40 -9.282 -6.179 -14.097 1.00 0.00 O ATOM 580 CB LYS A 40 -7.561 -6.861 -16.389 1.00 0.00 C ATOM 581 CG LYS A 40 -7.870 -5.817 -17.448 1.00 0.00 C ATOM 582 CD LYS A 40 -8.693 -6.402 -18.584 1.00 0.00 C ATOM 583 CE LYS A 40 -9.300 -5.310 -19.451 1.00 0.00 C ATOM 584 NZ LYS A 40 -10.529 -4.734 -18.838 1.00 0.00 N ATOM 0 H LYS A 40 -6.661 -8.257 -14.560 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.308 -5.528 -15.260 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.795 -7.537 -16.770 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.454 -7.460 -16.210 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.412 -4.987 -16.995 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.939 -5.412 -17.843 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.063 -7.047 -19.197 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.487 -7.027 -18.175 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.566 -4.519 -19.605 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.541 -5.718 -20.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.912 -3.993 -19.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.239 -5.484 -18.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.295 -4.322 -17.912 1.00 0.00 H new ATOM 598 N GLY A 41 -8.066 -4.287 -14.057 1.00 0.00 N ATOM 599 CA GLY A 41 -9.107 -3.528 -13.389 1.00 0.00 C ATOM 600 C GLY A 41 -8.735 -3.161 -11.967 1.00 0.00 C ATOM 601 O GLY A 41 -8.948 -2.028 -11.535 1.00 0.00 O ATOM 0 H GLY A 41 -7.217 -3.760 -14.263 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.309 -2.618 -13.955 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.029 -4.110 -13.381 1.00 0.00 H new ATOM 605 N SER A 42 -8.177 -4.121 -11.236 1.00 0.00 N ATOM 606 CA SER A 42 -7.780 -3.894 -9.851 1.00 0.00 C ATOM 607 C SER A 42 -6.464 -3.124 -9.783 1.00 0.00 C ATOM 608 O SER A 42 -5.581 -3.308 -10.620 1.00 0.00 O ATOM 609 CB SER A 42 -7.642 -5.226 -9.113 1.00 0.00 C ATOM 610 OG SER A 42 -7.249 -5.025 -7.766 1.00 0.00 O ATOM 0 H SER A 42 -7.990 -5.063 -11.580 1.00 0.00 H new ATOM 0 HA SER A 42 -8.556 -3.299 -9.369 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.591 -5.761 -9.142 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.907 -5.852 -9.620 1.00 0.00 H new ATOM 0 HG SER A 42 -7.169 -5.892 -7.316 1.00 0.00 H new ATOM 616 N ALA A 43 -6.342 -2.260 -8.780 1.00 0.00 N ATOM 617 CA ALA A 43 -5.135 -1.464 -8.601 1.00 0.00 C ATOM 618 C ALA A 43 -4.301 -1.984 -7.435 1.00 0.00 C ATOM 619 O ALA A 43 -3.712 -1.207 -6.684 1.00 0.00 O ATOM 620 CB ALA A 43 -5.495 -0.001 -8.383 1.00 0.00 C ATOM 0 H ALA A 43 -7.065 -2.094 -8.080 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.536 -1.549 -9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.584 0.582 -8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.042 0.372 -9.249 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.118 0.092 -7.493 1.00 0.00 H new ATOM 626 N HIS A 44 -4.257 -3.305 -7.289 1.00 0.00 N ATOM 627 CA HIS A 44 -3.495 -3.930 -6.213 1.00 0.00 C ATOM 628 C HIS A 44 -2.417 -4.852 -6.775 1.00 0.00 C ATOM 629 O HIS A 44 -2.702 -5.734 -7.586 1.00 0.00 O ATOM 630 CB HIS A 44 -4.426 -4.717 -5.291 1.00 0.00 C ATOM 631 CG HIS A 44 -5.076 -3.877 -4.236 1.00 0.00 C ATOM 632 ND1 HIS A 44 -4.369 -3.034 -3.404 1.00 0.00 N ATOM 633 CD2 HIS A 44 -6.376 -3.751 -3.879 1.00 0.00 C ATOM 634 CE1 HIS A 44 -5.205 -2.427 -2.581 1.00 0.00 C ATOM 635 NE2 HIS A 44 -6.430 -2.845 -2.849 1.00 0.00 N ATOM 0 H HIS A 44 -4.739 -3.963 -7.902 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.010 -3.141 -5.639 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.200 -5.194 -5.892 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.859 -5.514 -4.810 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.215 -4.267 -4.322 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.934 -1.711 -1.819 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.278 -2.543 -2.369 1.00 0.00 H new ATOM 644 N LEU A 45 -1.180 -4.641 -6.341 1.00 0.00 N ATOM 645 CA LEU A 45 -0.059 -5.453 -6.801 1.00 0.00 C ATOM 646 C LEU A 45 0.169 -6.642 -5.874 1.00 0.00 C ATOM 647 O LEU A 45 -0.312 -6.661 -4.741 1.00 0.00 O ATOM 648 CB LEU A 45 1.212 -4.604 -6.882 1.00 0.00 C ATOM 649 CG LEU A 45 1.167 -3.420 -7.848 1.00 0.00 C ATOM 650 CD1 LEU A 45 2.370 -2.513 -7.637 1.00 0.00 C ATOM 651 CD2 LEU A 45 1.112 -3.908 -9.288 1.00 0.00 C ATOM 0 H LEU A 45 -0.927 -3.914 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.300 -5.831 -7.794 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.436 -4.225 -5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.040 -5.252 -7.171 1.00 0.00 H new ATOM 0 HG LEU A 45 0.264 -2.845 -7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.321 -1.676 -8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.366 -2.135 -6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.286 -3.077 -7.812 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.080 -3.052 -9.961 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.997 -4.507 -9.503 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.219 -4.516 -9.432 1.00 0.00 H new ATOM 663 N PHE A 46 0.908 -7.633 -6.362 1.00 0.00 N ATOM 664 CA PHE A 46 1.201 -8.827 -5.577 1.00 0.00 C ATOM 665 C PHE A 46 2.665 -9.230 -5.727 1.00 0.00 C ATOM 666 O PHE A 46 3.292 -8.966 -6.753 1.00 0.00 O ATOM 667 CB PHE A 46 0.296 -9.982 -6.009 1.00 0.00 C ATOM 668 CG PHE A 46 -1.159 -9.745 -5.718 1.00 0.00 C ATOM 669 CD1 PHE A 46 -1.635 -9.792 -4.418 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.049 -9.474 -6.744 1.00 0.00 C ATOM 671 CE1 PHE A 46 -2.973 -9.575 -4.147 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.388 -9.256 -6.480 1.00 0.00 C ATOM 673 CZ PHE A 46 -3.850 -9.305 -5.179 1.00 0.00 C ATOM 0 H PHE A 46 1.315 -7.633 -7.297 1.00 0.00 H new ATOM 0 HA PHE A 46 1.011 -8.598 -4.528 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.422 -10.151 -7.078 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.616 -10.893 -5.503 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.953 -10.001 -3.607 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.692 -9.433 -7.763 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.332 -9.617 -3.129 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.072 -9.048 -7.289 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.895 -9.132 -4.969 1.00 0.00 H new ATOM 683 N CYS A 47 3.204 -9.871 -4.695 1.00 0.00 N ATOM 684 CA CYS A 47 4.594 -10.310 -4.709 1.00 0.00 C ATOM 685 C CYS A 47 4.773 -11.521 -5.621 1.00 0.00 C ATOM 686 O CYS A 47 5.711 -11.579 -6.416 1.00 0.00 O ATOM 687 CB CYS A 47 5.057 -10.653 -3.291 1.00 0.00 C ATOM 688 SG CYS A 47 4.379 -12.216 -2.646 1.00 0.00 S ATOM 0 H CYS A 47 2.699 -10.098 -3.838 1.00 0.00 H new ATOM 0 HA CYS A 47 5.203 -9.493 -5.095 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.145 -10.709 -3.279 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.772 -9.842 -2.621 1.00 0.00 H new ATOM 0 HG CYS A 47 3.951 -12.035 -1.432 1.00 0.00 H new ATOM 693 N SER A 48 3.866 -12.485 -5.499 1.00 0.00 N ATOM 694 CA SER A 48 3.925 -13.696 -6.310 1.00 0.00 C ATOM 695 C SER A 48 2.523 -14.223 -6.602 1.00 0.00 C ATOM 696 O SER A 48 1.545 -13.794 -5.989 1.00 0.00 O ATOM 697 CB SER A 48 4.748 -14.772 -5.598 1.00 0.00 C ATOM 698 OG SER A 48 5.084 -15.826 -6.483 1.00 0.00 O ATOM 0 H SER A 48 3.082 -12.451 -4.847 1.00 0.00 H new ATOM 0 HA SER A 48 4.406 -13.447 -7.256 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.658 -14.329 -5.193 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.183 -15.168 -4.754 1.00 0.00 H new ATOM 0 HG SER A 48 5.611 -16.500 -6.004 1.00 0.00 H new ATOM 704 N THR A 49 2.433 -15.157 -7.543 1.00 0.00 N ATOM 705 CA THR A 49 1.153 -15.743 -7.919 1.00 0.00 C ATOM 706 C THR A 49 0.407 -16.264 -6.696 1.00 0.00 C ATOM 707 O THR A 49 -0.771 -15.963 -6.499 1.00 0.00 O ATOM 708 CB THR A 49 1.335 -16.895 -8.925 1.00 0.00 C ATOM 709 OG1 THR A 49 2.103 -17.947 -8.331 1.00 0.00 O ATOM 710 CG2 THR A 49 2.028 -16.406 -10.188 1.00 0.00 C ATOM 0 H THR A 49 3.232 -15.524 -8.059 1.00 0.00 H new ATOM 0 HA THR A 49 0.569 -14.951 -8.388 1.00 0.00 H new ATOM 0 HB THR A 49 0.348 -17.273 -9.194 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.213 -18.676 -8.976 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.146 -17.237 -10.884 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.427 -15.625 -10.654 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.009 -16.005 -9.933 1.00 0.00 H new ATOM 718 N THR A 50 1.100 -17.048 -5.876 1.00 0.00 N ATOM 719 CA THR A 50 0.502 -17.612 -4.672 1.00 0.00 C ATOM 720 C THR A 50 -0.451 -16.620 -4.015 1.00 0.00 C ATOM 721 O THR A 50 -1.585 -16.963 -3.680 1.00 0.00 O ATOM 722 CB THR A 50 1.579 -18.025 -3.651 1.00 0.00 C ATOM 723 OG1 THR A 50 2.584 -18.818 -4.293 1.00 0.00 O ATOM 724 CG2 THR A 50 0.964 -18.810 -2.503 1.00 0.00 C ATOM 0 H THR A 50 2.076 -17.307 -6.024 1.00 0.00 H new ATOM 0 HA THR A 50 -0.055 -18.497 -4.980 1.00 0.00 H new ATOM 0 HB THR A 50 2.033 -17.119 -3.249 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.266 -19.075 -3.638 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.744 -19.091 -1.795 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.220 -18.194 -1.998 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.486 -19.709 -2.892 1.00 0.00 H new ATOM 732 N CYS A 51 0.015 -15.390 -3.834 1.00 0.00 N ATOM 733 CA CYS A 51 -0.796 -14.347 -3.217 1.00 0.00 C ATOM 734 C CYS A 51 -1.873 -13.855 -4.179 1.00 0.00 C ATOM 735 O CYS A 51 -3.051 -13.785 -3.826 1.00 0.00 O ATOM 736 CB CYS A 51 0.087 -13.176 -2.780 1.00 0.00 C ATOM 737 SG CYS A 51 1.091 -13.513 -1.298 1.00 0.00 S ATOM 0 H CYS A 51 0.951 -15.090 -4.106 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.284 -14.772 -2.340 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.751 -12.909 -3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.546 -12.310 -2.587 1.00 0.00 H new ATOM 0 HG CYS A 51 2.319 -13.143 -1.512 1.00 0.00 H new ATOM 742 N LEU A 52 -1.462 -13.517 -5.396 1.00 0.00 N ATOM 743 CA LEU A 52 -2.391 -13.032 -6.410 1.00 0.00 C ATOM 744 C LEU A 52 -3.729 -13.759 -6.315 1.00 0.00 C ATOM 745 O LEU A 52 -4.790 -13.135 -6.348 1.00 0.00 O ATOM 746 CB LEU A 52 -1.795 -13.216 -7.806 1.00 0.00 C ATOM 747 CG LEU A 52 -2.776 -13.109 -8.975 1.00 0.00 C ATOM 748 CD1 LEU A 52 -3.006 -11.653 -9.346 1.00 0.00 C ATOM 749 CD2 LEU A 52 -2.264 -13.893 -10.174 1.00 0.00 C ATOM 0 H LEU A 52 -0.491 -13.570 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.562 -11.970 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.012 -12.471 -7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.316 -14.194 -7.848 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.729 -13.539 -8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.706 -11.596 -10.179 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.418 -11.120 -8.489 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.059 -11.198 -9.636 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.974 -13.806 -10.996 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.299 -13.493 -10.485 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.152 -14.942 -9.901 1.00 0.00 H new ATOM 761 N SER A 53 -3.670 -15.082 -6.197 1.00 0.00 N ATOM 762 CA SER A 53 -4.877 -15.895 -6.099 1.00 0.00 C ATOM 763 C SER A 53 -5.413 -15.902 -4.670 1.00 0.00 C ATOM 764 O SER A 53 -6.588 -15.621 -4.435 1.00 0.00 O ATOM 765 CB SER A 53 -4.591 -17.326 -6.555 1.00 0.00 C ATOM 766 OG SER A 53 -5.793 -18.061 -6.712 1.00 0.00 O ATOM 0 H SER A 53 -2.800 -15.613 -6.167 1.00 0.00 H new ATOM 0 HA SER A 53 -5.634 -15.458 -6.750 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.046 -17.308 -7.499 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.950 -17.822 -5.826 1.00 0.00 H new ATOM 0 HG SER A 53 -5.583 -18.972 -7.006 1.00 0.00 H new ATOM 772 N SER A 54 -4.541 -16.225 -3.720 1.00 0.00 N ATOM 773 CA SER A 54 -4.926 -16.273 -2.314 1.00 0.00 C ATOM 774 C SER A 54 -5.821 -15.090 -1.955 1.00 0.00 C ATOM 775 O SER A 54 -6.819 -15.244 -1.251 1.00 0.00 O ATOM 776 CB SER A 54 -3.683 -16.275 -1.423 1.00 0.00 C ATOM 777 OG SER A 54 -4.037 -16.185 -0.053 1.00 0.00 O ATOM 0 H SER A 54 -3.564 -16.457 -3.898 1.00 0.00 H new ATOM 0 HA SER A 54 -5.485 -17.193 -2.147 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.110 -17.186 -1.595 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.038 -15.438 -1.691 1.00 0.00 H new ATOM 0 HG SER A 54 -3.225 -16.190 0.496 1.00 0.00 H new ATOM 783 N PHE A 55 -5.457 -13.910 -2.445 1.00 0.00 N ATOM 784 CA PHE A 55 -6.225 -12.700 -2.177 1.00 0.00 C ATOM 785 C PHE A 55 -7.721 -12.960 -2.333 1.00 0.00 C ATOM 786 O PHE A 55 -8.526 -12.527 -1.509 1.00 0.00 O ATOM 787 CB PHE A 55 -5.790 -11.575 -3.117 1.00 0.00 C ATOM 788 CG PHE A 55 -6.273 -10.218 -2.692 1.00 0.00 C ATOM 789 CD1 PHE A 55 -5.823 -9.646 -1.512 1.00 0.00 C ATOM 790 CD2 PHE A 55 -7.176 -9.514 -3.471 1.00 0.00 C ATOM 791 CE1 PHE A 55 -6.265 -8.397 -1.118 1.00 0.00 C ATOM 792 CE2 PHE A 55 -7.622 -8.264 -3.082 1.00 0.00 C ATOM 793 CZ PHE A 55 -7.166 -7.706 -1.903 1.00 0.00 C ATOM 0 H PHE A 55 -4.634 -13.766 -3.030 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.032 -12.398 -1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.702 -11.562 -3.176 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.161 -11.786 -4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.119 -10.183 -0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.536 -9.946 -4.393 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.906 -7.962 -0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.326 -7.725 -3.699 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.514 -6.731 -1.596 1.00 0.00 H new ATOM 803 N SER A 56 -8.084 -13.668 -3.398 1.00 0.00 N ATOM 804 CA SER A 56 -9.482 -13.982 -3.666 1.00 0.00 C ATOM 805 C SER A 56 -9.723 -15.487 -3.605 1.00 0.00 C ATOM 806 O SER A 56 -10.407 -16.053 -4.458 1.00 0.00 O ATOM 807 CB SER A 56 -9.894 -13.443 -5.038 1.00 0.00 C ATOM 808 OG SER A 56 -11.285 -13.604 -5.252 1.00 0.00 O ATOM 0 H SER A 56 -7.429 -14.035 -4.089 1.00 0.00 H new ATOM 0 HA SER A 56 -10.089 -13.503 -2.898 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.631 -12.388 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.340 -13.965 -5.818 1.00 0.00 H new ATOM 0 HG SER A 56 -11.537 -14.535 -5.076 1.00 0.00 H new