USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 261 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 30 GLN : amide:sc= 1.08 K(o=1.8,f=-0.42) USER MOD Set 1.2: A 32 TYR OH : rot -10:sc= 0.739 USER MOD Single : A 21 SER OG : rot 38:sc= 0.463 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 24 HIS : no HE2:sc= -0.761 K(o=-0.76,f=-3!) USER MOD Single : A 27 SER OG : rot 150:sc= 0.894 USER MOD Single : A 31 THR OG1 : rot 11:sc= -0.166 USER MOD Single : A 34 ASN : amide:sc= -0.974 K(o=-0.97,f=-6.6!) USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= -0.0592 (180deg=-0.234) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 40:sc= -0.979 USER MOD Single : A 40 LYS NZ :NH3+ -140:sc= -0.0515 (180deg=-0.348) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= 0.198 (180deg=0.0297) USER MOD Single : A 45 SER OG : rot 77:sc=-0.00177 USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= 1.16 (180deg=0.889) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 1.11 (180deg=1.08) USER MOD Single : A 53 HIS : no HE2:sc= -1.99! C(o=-2!,f=-6.4!) USER MOD Single : A 56 LYS NZ :NH3+ -150:sc= 1.03 (180deg=0.328) USER MOD ----------------------------------------------------------------- ATOM 294 N SER A 21 -9.572 15.583 9.606 1.00 0.00 N ATOM 295 CA SER A 21 -10.090 16.268 10.796 1.00 0.00 C ATOM 296 C SER A 21 -10.947 15.341 11.683 1.00 0.00 C ATOM 297 O SER A 21 -11.869 15.788 12.346 1.00 0.00 O ATOM 298 CB SER A 21 -11.000 17.262 10.258 1.00 0.00 C ATOM 299 OG SER A 21 -10.365 18.032 9.233 1.00 0.00 O ATOM 0 HA SER A 21 -9.265 16.648 11.399 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.885 16.770 9.854 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.339 17.921 11.057 1.00 0.00 H new ATOM 0 HG SER A 21 -9.783 17.451 8.701 1.00 0.00 H new ATOM 305 N ASN A 22 -10.617 14.116 11.673 1.00 0.00 N ATOM 306 CA ASN A 22 -11.355 13.050 12.374 1.00 0.00 C ATOM 307 C ASN A 22 -10.779 12.778 13.759 1.00 0.00 C ATOM 308 O ASN A 22 -9.904 11.931 13.887 1.00 0.00 O ATOM 309 CB ASN A 22 -11.270 11.746 11.552 1.00 0.00 C ATOM 310 CG ASN A 22 -11.934 11.875 10.179 1.00 0.00 C ATOM 311 OD1 ASN A 22 -12.931 12.565 10.027 1.00 0.00 O ATOM 312 ND2 ASN A 22 -11.358 11.271 9.166 1.00 0.00 N ATOM 0 H ASN A 22 -9.800 13.772 11.169 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.387 13.382 12.484 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.224 11.470 11.422 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.746 10.938 12.108 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.742 11.372 8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.526 10.700 9.318 1.00 0.00 H new ATOM 319 N PRO A 23 -11.275 13.434 14.827 1.00 0.00 N ATOM 320 CA PRO A 23 -10.723 13.270 16.160 1.00 0.00 C ATOM 321 C PRO A 23 -11.209 11.980 16.795 1.00 0.00 C ATOM 322 O PRO A 23 -12.253 11.451 16.417 1.00 0.00 O ATOM 323 CB PRO A 23 -11.234 14.505 16.928 1.00 0.00 C ATOM 324 CG PRO A 23 -11.995 15.315 15.920 1.00 0.00 C ATOM 325 CD PRO A 23 -12.405 14.352 14.848 1.00 0.00 C ATOM 0 HA PRO A 23 -9.635 13.202 16.161 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.874 14.213 17.761 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.406 15.077 17.347 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.866 15.788 16.375 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.376 16.114 15.512 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.340 13.845 15.089 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.549 14.846 13.887 1.00 0.00 H new ATOM 333 N HIS A 24 -10.478 11.491 17.745 1.00 0.00 N ATOM 334 CA HIS A 24 -10.740 10.210 18.373 1.00 0.00 C ATOM 335 C HIS A 24 -10.374 10.303 19.789 1.00 0.00 C ATOM 336 O HIS A 24 -9.263 10.716 20.148 1.00 0.00 O ATOM 337 CB HIS A 24 -9.877 9.100 17.745 1.00 0.00 C ATOM 338 CG HIS A 24 -10.247 8.626 16.345 1.00 0.00 C ATOM 339 ND1 HIS A 24 -10.254 9.415 15.211 1.00 0.00 N ATOM 340 CD2 HIS A 24 -10.613 7.389 15.924 1.00 0.00 C ATOM 341 CE1 HIS A 24 -10.613 8.657 14.178 1.00 0.00 C ATOM 342 NE2 HIS A 24 -10.839 7.415 14.552 1.00 0.00 N ATOM 0 H HIS A 24 -9.662 11.972 18.123 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.795 9.970 18.239 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.845 9.451 17.719 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.904 8.237 18.410 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -10.024 10.408 15.172 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -10.713 6.519 16.556 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -10.707 9.015 13.163 1.00 0.00 H new ATOM 350 N CYS A 25 -11.291 9.965 20.570 1.00 0.00 N ATOM 351 CA CYS A 25 -11.095 9.821 21.944 1.00 0.00 C ATOM 352 C CYS A 25 -11.025 8.366 22.157 1.00 0.00 C ATOM 353 O CYS A 25 -12.020 7.676 21.965 1.00 0.00 O ATOM 354 CB CYS A 25 -12.248 10.367 22.756 1.00 0.00 C ATOM 355 SG CYS A 25 -11.972 10.125 24.556 1.00 0.00 S ATOM 0 H CYS A 25 -12.245 9.770 20.266 1.00 0.00 H new ATOM 0 HA CYS A 25 -10.205 10.366 22.259 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -12.373 11.429 22.545 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.172 9.872 22.458 1.00 0.00 H new ATOM 360 N GLY A 26 -9.884 7.879 22.493 1.00 0.00 N ATOM 361 CA GLY A 26 -9.723 6.489 22.655 1.00 0.00 C ATOM 362 C GLY A 26 -10.398 6.026 23.899 1.00 0.00 C ATOM 363 O GLY A 26 -10.729 6.829 24.767 1.00 0.00 O ATOM 0 H GLY A 26 -9.044 8.433 22.661 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.138 5.966 21.793 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.662 6.242 22.697 1.00 0.00 H new ATOM 367 N SER A 27 -10.610 4.755 23.993 1.00 0.00 N ATOM 368 CA SER A 27 -11.188 4.129 25.192 1.00 0.00 C ATOM 369 C SER A 27 -10.241 4.299 26.393 1.00 0.00 C ATOM 370 O SER A 27 -10.588 4.005 27.526 1.00 0.00 O ATOM 371 CB SER A 27 -11.506 2.643 24.942 1.00 0.00 C ATOM 372 OG SER A 27 -10.342 1.919 24.550 1.00 0.00 O ATOM 0 H SER A 27 -10.394 4.094 23.247 1.00 0.00 H new ATOM 0 HA SER A 27 -12.127 4.631 25.423 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.923 2.202 25.847 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.267 2.558 24.166 1.00 0.00 H new ATOM 0 HG SER A 27 -10.418 0.990 24.851 1.00 0.00 H new ATOM 378 N ASP A 28 -9.046 4.777 26.077 1.00 0.00 N ATOM 379 CA ASP A 28 -8.010 5.138 26.996 1.00 0.00 C ATOM 380 C ASP A 28 -8.415 6.367 27.727 1.00 0.00 C ATOM 381 O ASP A 28 -8.108 6.565 28.894 1.00 0.00 O ATOM 382 CB ASP A 28 -6.746 5.378 26.185 1.00 0.00 C ATOM 383 CG ASP A 28 -5.589 5.842 27.004 1.00 0.00 C ATOM 384 OD1 ASP A 28 -5.519 7.039 27.262 1.00 0.00 O ATOM 385 OD2 ASP A 28 -4.733 5.033 27.342 1.00 0.00 O ATOM 0 H ASP A 28 -8.770 4.927 25.107 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.833 4.352 27.730 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.472 4.455 25.674 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.955 6.119 25.414 1.00 0.00 H new ATOM 390 N GLY A 29 -9.191 7.144 27.059 1.00 0.00 N ATOM 391 CA GLY A 29 -9.570 8.384 27.594 1.00 0.00 C ATOM 392 C GLY A 29 -8.911 9.466 26.851 1.00 0.00 C ATOM 393 O GLY A 29 -9.390 10.596 26.818 1.00 0.00 O ATOM 0 H GLY A 29 -9.573 6.933 26.137 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.653 8.499 27.539 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.297 8.435 28.648 1.00 0.00 H new ATOM 397 N GLN A 30 -7.813 9.125 26.229 1.00 0.00 N ATOM 398 CA GLN A 30 -7.090 10.104 25.462 1.00 0.00 C ATOM 399 C GLN A 30 -7.720 10.511 24.184 1.00 0.00 C ATOM 400 O GLN A 30 -8.212 9.704 23.416 1.00 0.00 O ATOM 401 CB GLN A 30 -5.700 9.694 25.199 1.00 0.00 C ATOM 402 CG GLN A 30 -4.908 9.827 26.399 1.00 0.00 C ATOM 403 CD GLN A 30 -3.469 9.337 26.221 1.00 0.00 C ATOM 404 OE1 GLN A 30 -2.572 10.091 25.803 1.00 0.00 O ATOM 405 NE2 GLN A 30 -3.234 8.102 26.545 1.00 0.00 N ATOM 0 H GLN A 30 -7.404 8.190 26.237 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.110 10.979 26.111 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.677 8.661 24.851 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.276 10.308 24.404 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.895 10.873 26.705 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.381 9.265 27.204 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.993 7.511 26.885 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.291 7.723 26.460 1.00 0.00 H new ATOM 414 N THR A 31 -7.657 11.780 23.956 1.00 0.00 N ATOM 415 CA THR A 31 -8.154 12.357 22.737 1.00 0.00 C ATOM 416 C THR A 31 -7.009 12.776 21.880 1.00 0.00 C ATOM 417 O THR A 31 -6.101 13.478 22.330 1.00 0.00 O ATOM 418 CB THR A 31 -9.053 13.594 22.944 1.00 0.00 C ATOM 419 OG1 THR A 31 -10.214 13.257 23.701 1.00 0.00 O ATOM 420 CG2 THR A 31 -9.483 14.182 21.586 1.00 0.00 C ATOM 0 H THR A 31 -7.259 12.455 24.608 1.00 0.00 H new ATOM 0 HA THR A 31 -8.760 11.580 22.272 1.00 0.00 H new ATOM 0 HB THR A 31 -8.475 14.337 23.493 1.00 0.00 H new ATOM 0 HG1 THR A 31 -10.109 12.359 24.078 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.116 15.054 21.751 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.599 14.478 21.021 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.038 13.431 21.024 1.00 0.00 H new ATOM 428 N TYR A 32 -7.041 12.344 20.674 1.00 0.00 N ATOM 429 CA TYR A 32 -6.097 12.747 19.724 1.00 0.00 C ATOM 430 C TYR A 32 -6.793 13.325 18.523 1.00 0.00 C ATOM 431 O TYR A 32 -7.959 12.998 18.242 1.00 0.00 O ATOM 432 CB TYR A 32 -5.119 11.634 19.382 1.00 0.00 C ATOM 433 CG TYR A 32 -4.056 11.424 20.455 1.00 0.00 C ATOM 434 CD1 TYR A 32 -4.348 10.794 21.658 1.00 0.00 C ATOM 435 CD2 TYR A 32 -2.764 11.892 20.269 1.00 0.00 C ATOM 436 CE1 TYR A 32 -3.386 10.634 22.631 1.00 0.00 C ATOM 437 CE2 TYR A 32 -1.803 11.736 21.245 1.00 0.00 C ATOM 438 CZ TYR A 32 -2.122 11.101 22.422 1.00 0.00 C ATOM 439 OH TYR A 32 -1.170 10.965 23.418 1.00 0.00 O ATOM 0 H TYR A 32 -7.740 11.689 20.322 1.00 0.00 H new ATOM 0 HA TYR A 32 -5.481 13.538 20.153 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.670 10.705 19.238 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.631 11.865 18.435 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -5.347 10.423 21.834 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.506 12.387 19.344 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.633 10.139 23.559 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.803 12.111 21.086 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.603 10.671 24.246 1.00 0.00 H new ATOM 449 N GLY A 33 -6.083 14.215 17.876 1.00 0.00 N ATOM 450 CA GLY A 33 -6.563 14.984 16.729 1.00 0.00 C ATOM 451 C GLY A 33 -7.181 14.157 15.630 1.00 0.00 C ATOM 452 O GLY A 33 -8.158 14.572 15.033 1.00 0.00 O ATOM 0 H GLY A 33 -5.122 14.440 18.133 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.299 15.709 17.077 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.729 15.550 16.314 1.00 0.00 H new ATOM 456 N ASN A 34 -6.610 13.006 15.357 1.00 0.00 N ATOM 457 CA ASN A 34 -7.142 12.118 14.362 1.00 0.00 C ATOM 458 C ASN A 34 -6.719 10.708 14.656 1.00 0.00 C ATOM 459 O ASN A 34 -6.043 10.468 15.657 1.00 0.00 O ATOM 460 CB ASN A 34 -6.789 12.549 12.912 1.00 0.00 C ATOM 461 CG ASN A 34 -5.298 12.684 12.632 1.00 0.00 C ATOM 462 OD1 ASN A 34 -4.462 11.970 13.198 1.00 0.00 O ATOM 463 ND2 ASN A 34 -4.956 13.596 11.763 1.00 0.00 N ATOM 0 H ASN A 34 -5.767 12.665 15.819 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.229 12.172 14.417 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.210 11.821 12.219 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.272 13.504 12.704 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.973 13.737 11.532 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.672 14.167 11.315 1.00 0.00 H new ATOM 470 N LYS A 35 -7.129 9.766 13.824 1.00 0.00 N ATOM 471 CA LYS A 35 -6.750 8.347 14.038 1.00 0.00 C ATOM 472 C LYS A 35 -5.265 8.145 14.057 1.00 0.00 C ATOM 473 O LYS A 35 -4.750 7.511 14.939 1.00 0.00 O ATOM 474 CB LYS A 35 -7.418 7.430 13.030 1.00 0.00 C ATOM 475 CG LYS A 35 -7.033 5.939 13.060 1.00 0.00 C ATOM 476 CD LYS A 35 -7.525 5.178 14.272 1.00 0.00 C ATOM 477 CE LYS A 35 -7.018 3.723 14.238 1.00 0.00 C ATOM 478 NZ LYS A 35 -7.357 3.000 12.959 1.00 0.00 N ATOM 0 H LYS A 35 -7.713 9.935 13.005 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.117 8.077 15.028 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.496 7.502 13.173 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.202 7.813 12.033 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.426 5.459 12.164 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.947 5.858 13.015 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.179 5.669 15.182 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.615 5.189 14.298 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.936 3.720 14.373 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.445 3.177 15.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.142 1.988 13.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.369 3.119 12.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.794 3.394 12.178 1.00 0.00 H new ATOM 492 N CYS A 36 -4.626 8.715 13.112 1.00 0.00 N ATOM 493 CA CYS A 36 -3.153 8.636 12.907 1.00 0.00 C ATOM 494 C CYS A 36 -2.400 9.001 14.154 1.00 0.00 C ATOM 495 O CYS A 36 -1.369 8.412 14.508 1.00 0.00 O ATOM 496 CB CYS A 36 -2.741 9.589 11.799 1.00 0.00 C ATOM 497 SG CYS A 36 -3.189 9.170 10.079 1.00 0.00 S ATOM 0 H CYS A 36 -5.093 9.284 12.406 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.912 7.607 12.641 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.170 10.565 12.025 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.657 9.699 11.842 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.756 10.099 9.279 1.00 0.00 H new ATOM 502 N ALA A 37 -2.964 9.927 14.812 1.00 0.00 N ATOM 503 CA ALA A 37 -2.425 10.516 16.003 1.00 0.00 C ATOM 504 C ALA A 37 -2.304 9.508 17.163 1.00 0.00 C ATOM 505 O ALA A 37 -1.269 9.444 17.821 1.00 0.00 O ATOM 506 CB ALA A 37 -3.306 11.669 16.381 1.00 0.00 C ATOM 0 H ALA A 37 -3.860 10.329 14.537 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.409 10.856 15.803 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.921 12.139 17.286 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.319 12.398 15.571 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.319 11.309 16.562 1.00 0.00 H new ATOM 512 N PHE A 38 -3.341 8.714 17.396 1.00 0.00 N ATOM 513 CA PHE A 38 -3.335 7.778 18.548 1.00 0.00 C ATOM 514 C PHE A 38 -3.294 6.315 18.104 1.00 0.00 C ATOM 515 O PHE A 38 -3.141 5.409 18.917 1.00 0.00 O ATOM 516 CB PHE A 38 -4.562 8.067 19.438 1.00 0.00 C ATOM 517 CG PHE A 38 -4.664 7.275 20.718 1.00 0.00 C ATOM 518 CD1 PHE A 38 -3.636 7.290 21.649 1.00 0.00 C ATOM 519 CD2 PHE A 38 -5.791 6.523 20.987 1.00 0.00 C ATOM 520 CE1 PHE A 38 -3.735 6.569 22.821 1.00 0.00 C ATOM 521 CE2 PHE A 38 -5.896 5.802 22.155 1.00 0.00 C ATOM 522 CZ PHE A 38 -4.866 5.825 23.074 1.00 0.00 C ATOM 0 H PHE A 38 -4.186 8.687 16.826 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.425 7.941 19.125 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.558 9.127 19.692 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.461 7.883 18.850 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.748 7.873 21.454 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.600 6.500 20.272 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.928 6.588 23.538 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.783 5.219 22.352 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.947 5.260 23.991 1.00 0.00 H new ATOM 532 N CYS A 39 -3.313 6.114 16.811 1.00 0.00 N ATOM 533 CA CYS A 39 -3.400 4.792 16.187 1.00 0.00 C ATOM 534 C CYS A 39 -2.307 3.930 16.628 1.00 0.00 C ATOM 535 O CYS A 39 -2.545 2.858 17.099 1.00 0.00 O ATOM 536 CB CYS A 39 -3.383 4.922 14.661 1.00 0.00 C ATOM 537 SG CYS A 39 -3.386 3.354 13.748 1.00 0.00 S ATOM 0 H CYS A 39 -3.268 6.876 16.135 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.341 4.336 16.495 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.251 5.504 14.353 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.499 5.490 14.371 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.185 2.512 14.334 1.00 0.00 H new ATOM 542 N LYS A 40 -1.138 4.471 16.604 1.00 0.00 N ATOM 543 CA LYS A 40 0.060 3.797 16.838 1.00 0.00 C ATOM 544 C LYS A 40 0.169 3.221 18.164 1.00 0.00 C ATOM 545 O LYS A 40 0.774 2.186 18.353 1.00 0.00 O ATOM 546 CB LYS A 40 1.193 4.704 16.521 1.00 0.00 C ATOM 547 CG LYS A 40 1.084 6.211 16.923 1.00 0.00 C ATOM 548 CD LYS A 40 1.209 6.446 18.415 1.00 0.00 C ATOM 549 CE LYS A 40 1.185 7.930 18.773 1.00 0.00 C ATOM 550 NZ LYS A 40 2.239 8.695 18.068 1.00 0.00 N ATOM 0 H LYS A 40 -1.002 5.462 16.406 1.00 0.00 H new ATOM 0 HA LYS A 40 0.086 2.932 16.176 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.085 4.298 16.999 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.360 4.660 15.445 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.862 6.774 16.407 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.126 6.603 16.580 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.394 5.937 18.930 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.138 6.003 18.773 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.209 8.346 18.524 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.315 8.044 19.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.652 9.396 18.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.982 8.044 17.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.824 9.184 17.249 1.00 0.00 H new ATOM 564 N ALA A 41 -0.395 3.873 19.030 1.00 0.00 N ATOM 565 CA ALA A 41 -0.437 3.469 20.392 1.00 0.00 C ATOM 566 C ALA A 41 -1.424 2.387 20.575 1.00 0.00 C ATOM 567 O ALA A 41 -1.227 1.507 21.399 1.00 0.00 O ATOM 568 CB ALA A 41 -0.875 4.550 21.178 1.00 0.00 C ATOM 0 H ALA A 41 -0.877 4.753 18.845 1.00 0.00 H new ATOM 0 HA ALA A 41 0.559 3.134 20.681 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.910 4.248 22.225 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.185 5.386 21.064 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.870 4.855 20.855 1.00 0.00 H new ATOM 574 N ILE A 42 -2.481 2.416 19.775 1.00 0.00 N ATOM 575 CA ILE A 42 -3.494 1.389 19.862 1.00 0.00 C ATOM 576 C ILE A 42 -2.857 0.133 19.452 1.00 0.00 C ATOM 577 O ILE A 42 -3.005 -0.904 20.072 1.00 0.00 O ATOM 578 CB ILE A 42 -4.611 1.753 18.927 1.00 0.00 C ATOM 579 CG1 ILE A 42 -5.306 2.901 19.537 1.00 0.00 C ATOM 580 CG2 ILE A 42 -5.513 0.583 18.670 1.00 0.00 C ATOM 581 CD1 ILE A 42 -5.977 3.775 18.563 1.00 0.00 C ATOM 0 H ILE A 42 -2.653 3.132 19.069 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.903 1.288 20.867 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.236 2.031 17.942 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.045 2.531 20.248 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.585 3.490 20.104 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.311 0.881 17.989 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.938 -0.228 18.223 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.947 0.244 19.611 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.466 4.596 19.087 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.241 4.176 17.866 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.723 3.201 18.013 1.00 0.00 H new ATOM 593 N VAL A 43 -2.080 0.294 18.451 1.00 0.00 N ATOM 594 CA VAL A 43 -1.248 -0.726 17.907 1.00 0.00 C ATOM 595 C VAL A 43 -0.303 -1.270 18.957 1.00 0.00 C ATOM 596 O VAL A 43 -0.030 -2.457 18.998 1.00 0.00 O ATOM 597 CB VAL A 43 -0.420 -0.167 16.789 1.00 0.00 C ATOM 598 CG1 VAL A 43 0.337 -1.263 16.073 1.00 0.00 C ATOM 599 CG2 VAL A 43 -1.262 0.637 15.859 1.00 0.00 C ATOM 0 H VAL A 43 -1.997 1.183 17.958 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.896 -1.524 17.546 1.00 0.00 H new ATOM 0 HB VAL A 43 0.324 0.506 17.214 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.929 -0.830 15.267 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.998 -1.769 16.777 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.369 -1.982 15.658 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.641 1.033 15.056 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.043 0.005 15.436 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.720 1.463 16.404 1.00 0.00 H new ATOM 609 N LYS A 44 0.159 -0.408 19.841 1.00 0.00 N ATOM 610 CA LYS A 44 1.140 -0.833 20.800 1.00 0.00 C ATOM 611 C LYS A 44 0.492 -1.589 21.921 1.00 0.00 C ATOM 612 O LYS A 44 1.058 -2.508 22.478 1.00 0.00 O ATOM 613 CB LYS A 44 1.937 0.340 21.282 1.00 0.00 C ATOM 614 CG LYS A 44 2.735 1.035 20.168 1.00 0.00 C ATOM 615 CD LYS A 44 3.717 0.099 19.444 1.00 0.00 C ATOM 616 CE LYS A 44 4.078 0.632 18.047 1.00 0.00 C ATOM 617 NZ LYS A 44 2.889 0.649 17.141 1.00 0.00 N ATOM 0 H LYS A 44 -0.126 0.569 19.910 1.00 0.00 H new ATOM 0 HA LYS A 44 1.837 -1.520 20.320 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.263 1.063 21.742 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.626 0.007 22.059 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.040 1.453 19.440 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.289 1.870 20.596 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.624 -0.009 20.039 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.275 -0.893 19.353 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.484 1.640 18.135 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.860 0.011 17.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.202 0.799 16.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.388 -0.260 17.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.249 1.419 17.422 1.00 0.00 H new ATOM 631 N SER A 45 -0.692 -1.198 22.225 1.00 0.00 N ATOM 632 CA SER A 45 -1.491 -1.890 23.197 1.00 0.00 C ATOM 633 C SER A 45 -2.352 -3.003 22.541 1.00 0.00 C ATOM 634 O SER A 45 -3.371 -3.418 23.088 1.00 0.00 O ATOM 635 CB SER A 45 -2.344 -0.892 23.927 1.00 0.00 C ATOM 636 OG SER A 45 -1.529 0.129 24.476 1.00 0.00 O ATOM 0 H SER A 45 -1.146 -0.385 21.810 1.00 0.00 H new ATOM 0 HA SER A 45 -0.834 -2.389 23.909 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.076 -0.458 23.245 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.903 -1.389 24.720 1.00 0.00 H new ATOM 0 HG SER A 45 -1.253 0.745 23.765 1.00 0.00 H new ATOM 642 N GLY A 46 -1.947 -3.459 21.354 1.00 0.00 N ATOM 643 CA GLY A 46 -2.529 -4.599 20.737 1.00 0.00 C ATOM 644 C GLY A 46 -3.873 -4.422 20.130 1.00 0.00 C ATOM 645 O GLY A 46 -4.583 -5.417 19.884 1.00 0.00 O ATOM 0 H GLY A 46 -1.200 -3.028 20.810 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.849 -4.948 19.960 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.595 -5.392 21.482 1.00 0.00 H new ATOM 649 N GLY A 47 -4.270 -3.224 19.970 1.00 0.00 N ATOM 650 CA GLY A 47 -5.573 -2.945 19.462 1.00 0.00 C ATOM 651 C GLY A 47 -6.602 -3.152 20.524 1.00 0.00 C ATOM 652 O GLY A 47 -7.782 -3.166 20.250 1.00 0.00 O ATOM 0 H GLY A 47 -3.710 -2.399 20.184 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.617 -1.918 19.100 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.785 -3.592 18.611 1.00 0.00 H new ATOM 656 N LYS A 48 -6.136 -3.410 21.753 1.00 0.00 N ATOM 657 CA LYS A 48 -7.039 -3.507 22.857 1.00 0.00 C ATOM 658 C LYS A 48 -7.655 -2.182 23.205 1.00 0.00 C ATOM 659 O LYS A 48 -8.734 -2.129 23.776 1.00 0.00 O ATOM 660 CB LYS A 48 -6.442 -4.209 24.059 1.00 0.00 C ATOM 661 CG LYS A 48 -6.231 -5.707 23.818 1.00 0.00 C ATOM 662 CD LYS A 48 -4.915 -6.031 23.134 1.00 0.00 C ATOM 663 CE LYS A 48 -4.946 -7.398 22.470 1.00 0.00 C ATOM 664 NZ LYS A 48 -5.848 -7.400 21.278 1.00 0.00 N ATOM 0 H LYS A 48 -5.152 -3.550 21.984 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.853 -4.150 22.523 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.487 -3.746 24.309 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.098 -4.071 24.919 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.273 -6.230 24.773 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.051 -6.088 23.209 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.697 -5.269 22.386 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.108 -6.000 23.866 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.938 -7.681 22.167 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.285 -8.146 23.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.638 -8.228 20.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.839 -7.441 21.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.696 -6.532 20.726 1.00 0.00 H new ATOM 678 N ILE A 49 -6.972 -1.115 22.885 1.00 0.00 N ATOM 679 CA ILE A 49 -7.593 0.170 23.016 1.00 0.00 C ATOM 680 C ILE A 49 -8.482 0.352 21.815 1.00 0.00 C ATOM 681 O ILE A 49 -8.082 0.096 20.682 1.00 0.00 O ATOM 682 CB ILE A 49 -6.592 1.308 23.022 1.00 0.00 C ATOM 683 CG1 ILE A 49 -5.508 1.043 24.031 1.00 0.00 C ATOM 684 CG2 ILE A 49 -7.304 2.638 23.358 1.00 0.00 C ATOM 685 CD1 ILE A 49 -4.303 1.901 23.827 1.00 0.00 C ATOM 0 H ILE A 49 -6.012 -1.110 22.541 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.131 0.197 23.963 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.143 1.382 22.031 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.902 1.211 25.033 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.215 -0.005 23.975 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.577 3.450 23.360 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.071 2.839 22.610 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.768 2.564 24.342 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.556 1.665 24.584 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.887 1.715 22.837 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.585 2.950 23.911 1.00 0.00 H new ATOM 697 N SER A 50 -9.632 0.785 22.064 1.00 0.00 N ATOM 698 CA SER A 50 -10.612 1.000 21.064 1.00 0.00 C ATOM 699 C SER A 50 -10.979 2.450 21.120 1.00 0.00 C ATOM 700 O SER A 50 -10.350 3.221 21.848 1.00 0.00 O ATOM 701 CB SER A 50 -11.824 0.116 21.351 1.00 0.00 C ATOM 702 OG SER A 50 -11.438 -1.246 21.430 1.00 0.00 O ATOM 0 H SER A 50 -9.950 1.015 23.005 1.00 0.00 H new ATOM 0 HA SER A 50 -10.242 0.746 20.071 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.291 0.422 22.287 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.569 0.244 20.566 1.00 0.00 H new ATOM 0 HG SER A 50 -12.225 -1.799 21.616 1.00 0.00 H new ATOM 708 N LEU A 51 -11.892 2.862 20.333 1.00 0.00 N ATOM 709 CA LEU A 51 -12.346 4.102 20.378 1.00 0.00 C ATOM 710 C LEU A 51 -13.490 4.265 21.350 1.00 0.00 C ATOM 711 O LEU A 51 -14.322 3.383 21.487 1.00 0.00 O ATOM 712 CB LEU A 51 -12.799 4.462 19.063 1.00 0.00 C ATOM 713 CG LEU A 51 -13.121 5.850 18.989 1.00 0.00 C ATOM 714 CD1 LEU A 51 -11.877 6.611 19.220 1.00 0.00 C ATOM 715 CD2 LEU A 51 -13.744 6.140 17.744 1.00 0.00 C ATOM 0 H LEU A 51 -12.334 2.279 19.622 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.535 4.747 20.718 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.026 4.226 18.332 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.675 3.869 18.802 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.842 6.140 19.753 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.089 7.679 19.170 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.478 6.366 20.204 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.144 6.350 18.456 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.986 7.202 17.697 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.065 5.886 16.930 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.659 5.555 17.650 1.00 0.00 H new ATOM 727 N LYS A 52 -13.483 5.371 22.038 1.00 0.00 N ATOM 728 CA LYS A 52 -14.505 5.748 22.863 1.00 0.00 C ATOM 729 C LYS A 52 -15.517 6.472 22.038 1.00 0.00 C ATOM 730 O LYS A 52 -16.703 6.191 22.122 1.00 0.00 O ATOM 731 CB LYS A 52 -13.918 6.556 23.966 1.00 0.00 C ATOM 732 CG LYS A 52 -14.828 7.481 24.615 1.00 0.00 C ATOM 733 CD LYS A 52 -14.139 8.189 25.780 1.00 0.00 C ATOM 734 CE LYS A 52 -14.946 9.360 26.332 1.00 0.00 C ATOM 735 NZ LYS A 52 -14.110 10.228 27.231 1.00 0.00 N ATOM 0 H LYS A 52 -12.712 6.038 22.011 1.00 0.00 H new ATOM 0 HA LYS A 52 -15.024 4.909 23.326 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.520 5.876 24.719 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.074 7.121 23.570 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.182 8.217 23.893 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.704 6.943 24.977 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.960 7.470 26.580 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.164 8.550 25.452 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.335 9.957 25.507 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.806 8.982 26.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.662 11.060 27.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.830 9.687 28.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.259 10.539 26.720 1.00 0.00 H new ATOM 749 N HIS A 53 -15.023 7.367 21.219 1.00 0.00 N ATOM 750 CA HIS A 53 -15.870 8.088 20.248 1.00 0.00 C ATOM 751 C HIS A 53 -15.063 9.060 19.416 1.00 0.00 C ATOM 752 O HIS A 53 -13.965 9.469 19.826 1.00 0.00 O ATOM 753 CB HIS A 53 -17.093 8.823 20.896 1.00 0.00 C ATOM 754 CG HIS A 53 -16.789 9.951 21.837 1.00 0.00 C ATOM 755 ND1 HIS A 53 -16.551 11.249 21.438 1.00 0.00 N ATOM 756 CD2 HIS A 53 -16.740 9.960 23.183 1.00 0.00 C ATOM 757 CE1 HIS A 53 -16.372 11.987 22.527 1.00 0.00 C ATOM 758 NE2 HIS A 53 -16.478 11.244 23.626 1.00 0.00 N ATOM 0 H HIS A 53 -14.037 7.628 21.191 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.277 7.312 19.599 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -17.719 9.211 20.093 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -17.686 8.084 21.434 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -16.518 11.584 20.475 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -16.883 9.098 23.818 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -16.168 13.048 22.522 1.00 0.00 H new ATOM 766 N PRO A 54 -15.552 9.385 18.197 1.00 0.00 N ATOM 767 CA PRO A 54 -14.959 10.425 17.380 1.00 0.00 C ATOM 768 C PRO A 54 -15.193 11.790 18.027 1.00 0.00 C ATOM 769 O PRO A 54 -16.204 12.005 18.718 1.00 0.00 O ATOM 770 CB PRO A 54 -15.706 10.326 16.041 1.00 0.00 C ATOM 771 CG PRO A 54 -16.991 9.653 16.367 1.00 0.00 C ATOM 772 CD PRO A 54 -16.694 8.731 17.510 1.00 0.00 C ATOM 0 HA PRO A 54 -13.882 10.311 17.261 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.875 11.313 15.610 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.134 9.753 15.311 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -17.755 10.381 16.641 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -17.371 9.100 15.508 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.553 8.624 18.173 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -16.434 7.731 17.162 1.00 0.00 H new ATOM 780 N GLY A 55 -14.279 12.683 17.818 1.00 0.00 N ATOM 781 CA GLY A 55 -14.346 13.968 18.451 1.00 0.00 C ATOM 782 C GLY A 55 -13.606 13.923 19.749 1.00 0.00 C ATOM 783 O GLY A 55 -13.287 12.833 20.238 1.00 0.00 O ATOM 0 H GLY A 55 -13.471 12.548 17.210 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.915 14.729 17.800 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.386 14.247 18.622 1.00 0.00 H new ATOM 787 N LYS A 56 -13.242 15.069 20.274 1.00 0.00 N ATOM 788 CA LYS A 56 -12.649 15.103 21.548 1.00 0.00 C ATOM 789 C LYS A 56 -13.648 14.752 22.585 1.00 0.00 C ATOM 790 O LYS A 56 -14.858 14.925 22.399 1.00 0.00 O ATOM 791 CB LYS A 56 -12.070 16.456 21.870 1.00 0.00 C ATOM 792 CG LYS A 56 -13.117 17.541 22.101 1.00 0.00 C ATOM 793 CD LYS A 56 -12.505 18.848 22.607 1.00 0.00 C ATOM 794 CE LYS A 56 -11.862 18.705 24.003 1.00 0.00 C ATOM 795 NZ LYS A 56 -12.838 18.320 25.064 1.00 0.00 N ATOM 0 H LYS A 56 -13.354 15.977 19.823 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.837 14.376 21.540 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.448 16.371 22.761 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.417 16.764 21.053 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.651 17.730 21.170 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.852 17.184 22.823 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.751 19.190 21.898 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.278 19.615 22.645 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.072 17.956 23.957 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.391 19.649 24.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.531 18.713 25.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.778 18.695 24.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.886 17.283 25.132 1.00 0.00 H new ATOM 809 N CYS A 57 -13.163 14.293 23.642 1.00 0.00 N ATOM 810 CA CYS A 57 -14.005 13.942 24.710 1.00 0.00 C ATOM 811 C CYS A 57 -13.678 14.757 25.937 1.00 0.00 C ATOM 812 O CYS A 57 -13.531 14.185 27.026 1.00 0.00 O ATOM 813 CB CYS A 57 -13.844 12.483 24.933 1.00 0.00 C ATOM 814 SG CYS A 57 -12.180 11.934 25.427 1.00 0.00 S ATOM 815 OXT CYS A 57 -13.505 15.997 25.774 1.00 0.00 O ATOM 0 H CYS A 57 -12.168 14.143 23.808 1.00 0.00 H new ATOM 0 HA CYS A 57 -15.048 14.159 24.481 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -14.551 12.172 25.702 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -14.120 11.962 24.016 1.00 0.00 H new