USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=17 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 150:sc= 1.7 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.6 K(o=-0.079,f=-5!) USER MOD Set 1.3: A 26 CYS SG : rot -51:sc= -0.853 USER MOD Set 1.4: A 47 CYS SG : rot -139:sc= -0.207 USER MOD Set 1.5: A 51 CYS SG : rot 135:sc= -0.121 USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.236) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 148:sc= 0.0202 (180deg=0) 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= -1.25 K(o=-1.3,f=-3.7!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc=-0.00217 USER MOD Single : A 38 GLN : amide:sc= -0.433 K(o=-0.43,f=-3.9!) USER MOD Single : A 40 LYS NZ :NH3+ 169:sc=-0.00251 (180deg=-0.106) USER MOD Single : A 42 SER OG : rot 16:sc= 1.2 USER MOD Single : A 44 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.27) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.032 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0827 USER MOD Single : A 54 SER OG : rot 93:sc= 1.33 USER MOD Single : A 56 SER OG : rot 39:sc= 0.209 USER MOD ----------------------------------------------------------------- ATOM 251 N LYS A 20 6.149 3.410 -0.020 1.00 0.00 N ATOM 252 CA LYS A 20 6.460 2.369 -0.993 1.00 0.00 C ATOM 253 C LYS A 20 5.241 1.490 -1.257 1.00 0.00 C ATOM 254 O LYS A 20 4.183 1.685 -0.659 1.00 0.00 O ATOM 255 CB LYS A 20 7.624 1.509 -0.496 1.00 0.00 C ATOM 256 CG LYS A 20 7.358 0.837 0.840 1.00 0.00 C ATOM 257 CD LYS A 20 8.418 -0.202 1.163 1.00 0.00 C ATOM 258 CE LYS A 20 8.605 -0.359 2.665 1.00 0.00 C ATOM 259 NZ LYS A 20 9.975 -0.832 3.007 1.00 0.00 N ATOM 0 HA LYS A 20 6.747 2.853 -1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.843 0.744 -1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.514 2.133 -0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.333 1.590 1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.377 0.363 0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.134 -1.160 0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.364 0.087 0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.417 0.596 3.156 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.870 -1.066 3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.987 -1.183 3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.249 -1.599 2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.648 -0.044 2.914 1.00 0.00 H new ATOM 273 N ILE A 21 5.399 0.522 -2.154 1.00 0.00 N ATOM 274 CA ILE A 21 4.312 -0.388 -2.494 1.00 0.00 C ATOM 275 C ILE A 21 4.494 -1.741 -1.814 1.00 0.00 C ATOM 276 O ILE A 21 5.611 -2.249 -1.706 1.00 0.00 O ATOM 277 CB ILE A 21 4.211 -0.600 -4.016 1.00 0.00 C ATOM 278 CG1 ILE A 21 4.011 0.739 -4.727 1.00 0.00 C ATOM 279 CG2 ILE A 21 3.072 -1.555 -4.343 1.00 0.00 C ATOM 280 CD1 ILE A 21 4.169 0.655 -6.229 1.00 0.00 C ATOM 0 H ILE A 21 6.269 0.348 -2.658 1.00 0.00 H new ATOM 0 HA ILE A 21 3.391 0.073 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 21 5.143 -1.042 -4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.016 1.119 -4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.728 1.460 -4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.013 -1.695 -5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.253 -2.516 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.133 -1.139 -3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.014 1.641 -6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.173 0.305 -6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.435 -0.041 -6.634 1.00 0.00 H new ATOM 292 N THR A 22 3.389 -2.321 -1.357 1.00 0.00 N ATOM 293 CA THR A 22 3.426 -3.616 -0.689 1.00 0.00 C ATOM 294 C THR A 22 2.439 -4.590 -1.322 1.00 0.00 C ATOM 295 O THR A 22 1.534 -4.186 -2.053 1.00 0.00 O ATOM 296 CB THR A 22 3.106 -3.482 0.812 1.00 0.00 C ATOM 297 OG1 THR A 22 2.013 -2.577 1.002 1.00 0.00 O ATOM 298 CG2 THR A 22 4.321 -2.986 1.582 1.00 0.00 C ATOM 0 H THR A 22 2.457 -1.914 -1.437 1.00 0.00 H new ATOM 0 HA THR A 22 4.438 -4.003 -0.805 1.00 0.00 H new ATOM 0 HB THR A 22 2.832 -4.466 1.191 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.815 -2.499 1.959 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.071 -2.899 2.639 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.142 -3.692 1.460 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.621 -2.011 1.199 1.00 0.00 H new ATOM 306 N CYS A 23 2.618 -5.875 -1.036 1.00 0.00 N ATOM 307 CA CYS A 23 1.743 -6.908 -1.578 1.00 0.00 C ATOM 308 C CYS A 23 0.350 -6.818 -0.962 1.00 0.00 C ATOM 309 O CYS A 23 0.204 -6.603 0.241 1.00 0.00 O ATOM 310 CB CYS A 23 2.337 -8.295 -1.321 1.00 0.00 C ATOM 311 SG CYS A 23 1.274 -9.671 -1.862 1.00 0.00 S ATOM 0 H CYS A 23 3.361 -6.226 -0.432 1.00 0.00 H new ATOM 0 HA CYS A 23 1.657 -6.750 -2.653 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.296 -8.368 -1.833 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.536 -8.401 -0.255 1.00 0.00 H new ATOM 0 HG CYS A 23 2.015 -10.680 -2.212 1.00 0.00 H new ATOM 316 N ALA A 24 -0.671 -6.984 -1.797 1.00 0.00 N ATOM 317 CA ALA A 24 -2.052 -6.924 -1.335 1.00 0.00 C ATOM 318 C ALA A 24 -2.488 -8.255 -0.732 1.00 0.00 C ATOM 319 O ALA A 24 -3.680 -8.539 -0.627 1.00 0.00 O ATOM 320 CB ALA A 24 -2.975 -6.535 -2.481 1.00 0.00 C ATOM 0 H ALA A 24 -0.567 -7.161 -2.796 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.116 -6.164 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.003 -6.494 -2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.686 -5.557 -2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.898 -7.275 -3.277 1.00 0.00 H new ATOM 326 N ASN A 25 -1.513 -9.068 -0.337 1.00 0.00 N ATOM 327 CA ASN A 25 -1.797 -10.370 0.255 1.00 0.00 C ATOM 328 C ASN A 25 -0.988 -10.575 1.533 1.00 0.00 C ATOM 329 O ASN A 25 -1.549 -10.780 2.609 1.00 0.00 O ATOM 330 CB ASN A 25 -1.485 -11.486 -0.744 1.00 0.00 C ATOM 331 CG ASN A 25 -2.201 -12.780 -0.407 1.00 0.00 C ATOM 332 OD1 ASN A 25 -3.343 -12.994 -0.814 1.00 0.00 O ATOM 333 ND2 ASN A 25 -1.531 -13.650 0.339 1.00 0.00 N ATOM 0 H ASN A 25 -0.520 -8.848 -0.416 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.857 -10.403 0.508 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.773 -11.165 -1.745 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.410 -11.663 -0.763 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.961 -14.538 0.597 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.586 -13.430 0.654 1.00 0.00 H new ATOM 340 N CYS A 26 0.333 -10.517 1.405 1.00 0.00 N ATOM 341 CA CYS A 26 1.221 -10.696 2.548 1.00 0.00 C ATOM 342 C CYS A 26 1.656 -9.347 3.115 1.00 0.00 C ATOM 343 O CYS A 26 2.195 -9.270 4.219 1.00 0.00 O ATOM 344 CB CYS A 26 2.450 -11.512 2.143 1.00 0.00 C ATOM 345 SG CYS A 26 3.373 -10.817 0.735 1.00 0.00 S ATOM 0 H CYS A 26 0.813 -10.347 0.521 1.00 0.00 H new ATOM 0 HA CYS A 26 0.674 -11.236 3.321 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.120 -11.590 3.000 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.134 -12.525 1.892 1.00 0.00 H new ATOM 0 HG CYS A 26 2.553 -10.576 -0.245 1.00 0.00 H new ATOM 350 N LYS A 27 1.417 -8.286 2.351 1.00 0.00 N ATOM 351 CA LYS A 27 1.782 -6.940 2.776 1.00 0.00 C ATOM 352 C LYS A 27 3.292 -6.816 2.954 1.00 0.00 C ATOM 353 O LYS A 27 3.768 -6.318 3.974 1.00 0.00 O ATOM 354 CB LYS A 27 1.072 -6.586 4.084 1.00 0.00 C ATOM 355 CG LYS A 27 -0.432 -6.431 3.938 1.00 0.00 C ATOM 356 CD LYS A 27 -1.141 -7.772 4.029 1.00 0.00 C ATOM 357 CE LYS A 27 -1.357 -8.191 5.475 1.00 0.00 C ATOM 358 NZ LYS A 27 -2.210 -9.408 5.579 1.00 0.00 N ATOM 0 H LYS A 27 0.972 -8.333 1.434 1.00 0.00 H new ATOM 0 HA LYS A 27 1.468 -6.243 1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.279 -7.362 4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.488 -5.657 4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.808 -5.766 4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.659 -5.962 2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.102 -7.712 3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.553 -8.531 3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.393 -8.382 5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.823 -7.373 6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.921 -9.965 6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.206 -9.126 5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.100 -9.984 4.720 1.00 0.00 H new ATOM 372 N LYS A 28 4.041 -7.272 1.956 1.00 0.00 N ATOM 373 CA LYS A 28 5.497 -7.210 2.000 1.00 0.00 C ATOM 374 C LYS A 28 6.019 -6.062 1.143 1.00 0.00 C ATOM 375 O LYS A 28 5.464 -5.738 0.093 1.00 0.00 O ATOM 376 CB LYS A 28 6.099 -8.534 1.522 1.00 0.00 C ATOM 377 CG LYS A 28 6.248 -9.568 2.624 1.00 0.00 C ATOM 378 CD LYS A 28 6.655 -10.922 2.067 1.00 0.00 C ATOM 379 CE LYS A 28 7.032 -11.890 3.178 1.00 0.00 C ATOM 380 NZ LYS A 28 5.838 -12.574 3.747 1.00 0.00 N ATOM 0 H LYS A 28 3.663 -7.689 1.105 1.00 0.00 H new ATOM 0 HA LYS A 28 5.797 -7.034 3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.470 -8.945 0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.077 -8.341 1.082 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.994 -9.230 3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.306 -9.664 3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.834 -11.338 1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.499 -10.799 1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.727 -12.635 2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.552 -11.350 3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.137 -13.225 4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.186 -11.865 4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.355 -13.110 2.998 1.00 0.00 H new ATOM 394 N PRO A 29 7.113 -5.433 1.597 1.00 0.00 N ATOM 395 CA PRO A 29 7.735 -4.313 0.885 1.00 0.00 C ATOM 396 C PRO A 29 8.407 -4.752 -0.412 1.00 0.00 C ATOM 397 O PRO A 29 9.518 -5.284 -0.398 1.00 0.00 O ATOM 398 CB PRO A 29 8.778 -3.796 1.879 1.00 0.00 C ATOM 399 CG PRO A 29 9.099 -4.971 2.737 1.00 0.00 C ATOM 400 CD PRO A 29 7.827 -5.767 2.841 1.00 0.00 C ATOM 0 HA PRO A 29 7.003 -3.563 0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.666 -3.427 1.365 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.385 -2.969 2.471 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.898 -5.568 2.298 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.442 -4.653 3.722 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.027 -6.836 2.915 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.250 -5.489 3.723 1.00 0.00 H new ATOM 408 N LEU A 30 7.727 -4.526 -1.530 1.00 0.00 N ATOM 409 CA LEU A 30 8.259 -4.898 -2.837 1.00 0.00 C ATOM 410 C LEU A 30 9.262 -3.861 -3.332 1.00 0.00 C ATOM 411 O LEU A 30 9.147 -2.676 -3.022 1.00 0.00 O ATOM 412 CB LEU A 30 7.121 -5.046 -3.849 1.00 0.00 C ATOM 413 CG LEU A 30 5.910 -5.856 -3.384 1.00 0.00 C ATOM 414 CD1 LEU A 30 4.765 -5.722 -4.375 1.00 0.00 C ATOM 415 CD2 LEU A 30 6.287 -7.318 -3.196 1.00 0.00 C ATOM 0 H LEU A 30 6.807 -4.087 -1.558 1.00 0.00 H new ATOM 0 HA LEU A 30 8.773 -5.854 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.780 -4.050 -4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.521 -5.512 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 30 5.580 -5.460 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.912 -6.305 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.478 -4.674 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.083 -6.091 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.413 -7.879 -2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.644 -7.726 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.074 -7.397 -2.447 1.00 0.00 H new ATOM 427 N GLN A 31 10.244 -4.317 -4.102 1.00 0.00 N ATOM 428 CA GLN A 31 11.267 -3.428 -4.641 1.00 0.00 C ATOM 429 C GLN A 31 11.092 -3.244 -6.145 1.00 0.00 C ATOM 430 O GLN A 31 10.682 -4.166 -6.850 1.00 0.00 O ATOM 431 CB GLN A 31 12.662 -3.981 -4.342 1.00 0.00 C ATOM 432 CG GLN A 31 12.963 -4.102 -2.857 1.00 0.00 C ATOM 433 CD GLN A 31 14.448 -4.202 -2.569 1.00 0.00 C ATOM 434 OE1 GLN A 31 15.066 -5.245 -2.786 1.00 0.00 O ATOM 435 NE2 GLN A 31 15.031 -3.114 -2.079 1.00 0.00 N ATOM 0 H GLN A 31 10.353 -5.296 -4.367 1.00 0.00 H new ATOM 0 HA GLN A 31 11.158 -2.456 -4.160 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.762 -4.962 -4.806 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.407 -3.333 -4.804 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.553 -3.237 -2.335 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.459 -4.983 -2.459 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.481 -2.271 -1.914 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.029 -3.121 -1.867 1.00 0.00 H new ATOM 444 N LYS A 32 11.404 -2.047 -6.630 1.00 0.00 N ATOM 445 CA LYS A 32 11.282 -1.741 -8.050 1.00 0.00 C ATOM 446 C LYS A 32 11.824 -2.884 -8.902 1.00 0.00 C ATOM 447 O LYS A 32 11.193 -3.302 -9.871 1.00 0.00 O ATOM 448 CB LYS A 32 12.028 -0.446 -8.379 1.00 0.00 C ATOM 449 CG LYS A 32 11.658 0.143 -9.730 1.00 0.00 C ATOM 450 CD LYS A 32 10.253 0.720 -9.720 1.00 0.00 C ATOM 451 CE LYS A 32 10.198 2.040 -8.966 1.00 0.00 C ATOM 452 NZ LYS A 32 10.672 3.177 -9.802 1.00 0.00 N ATOM 0 H LYS A 32 11.744 -1.272 -6.060 1.00 0.00 H new ATOM 0 HA LYS A 32 10.224 -1.612 -8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.821 0.290 -7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.101 -0.639 -8.358 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.371 0.924 -9.995 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.730 -0.629 -10.497 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.913 0.871 -10.745 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.569 0.007 -9.259 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.175 2.230 -8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.810 1.970 -8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.619 4.058 -9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.657 3.008 -10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.072 3.260 -10.647 1.00 0.00 H new ATOM 466 N GLY A 33 12.998 -3.386 -8.532 1.00 0.00 N ATOM 467 CA GLY A 33 13.605 -4.477 -9.272 1.00 0.00 C ATOM 468 C GLY A 33 12.714 -5.701 -9.334 1.00 0.00 C ATOM 469 O GLY A 33 12.527 -6.286 -10.400 1.00 0.00 O ATOM 0 H GLY A 33 13.540 -3.057 -7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.830 -4.144 -10.285 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.553 -4.745 -8.806 1.00 0.00 H new ATOM 473 N GLN A 34 12.165 -6.091 -8.188 1.00 0.00 N ATOM 474 CA GLN A 34 11.291 -7.255 -8.117 1.00 0.00 C ATOM 475 C GLN A 34 10.080 -7.084 -9.029 1.00 0.00 C ATOM 476 O GLN A 34 9.738 -5.968 -9.422 1.00 0.00 O ATOM 477 CB GLN A 34 10.830 -7.486 -6.676 1.00 0.00 C ATOM 478 CG GLN A 34 11.811 -8.299 -5.847 1.00 0.00 C ATOM 479 CD GLN A 34 13.249 -7.867 -6.055 1.00 0.00 C ATOM 480 OE1 GLN A 34 13.722 -6.920 -5.426 1.00 0.00 O ATOM 481 NE2 GLN A 34 13.954 -8.562 -6.940 1.00 0.00 N ATOM 0 H GLN A 34 12.310 -5.618 -7.296 1.00 0.00 H new ATOM 0 HA GLN A 34 11.857 -8.123 -8.454 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.673 -6.521 -6.194 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.867 -7.997 -6.689 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.556 -8.203 -4.792 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.712 -9.354 -6.104 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.522 -9.340 -7.439 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.928 -8.318 -7.121 1.00 0.00 H new ATOM 490 N THR A 35 9.435 -8.197 -9.363 1.00 0.00 N ATOM 491 CA THR A 35 8.264 -8.171 -10.230 1.00 0.00 C ATOM 492 C THR A 35 6.976 -8.235 -9.417 1.00 0.00 C ATOM 493 O THR A 35 6.915 -8.903 -8.385 1.00 0.00 O ATOM 494 CB THR A 35 8.282 -9.339 -11.234 1.00 0.00 C ATOM 495 OG1 THR A 35 9.451 -9.259 -12.057 1.00 0.00 O ATOM 496 CG2 THR A 35 7.038 -9.319 -12.109 1.00 0.00 C ATOM 0 H THR A 35 9.704 -9.128 -9.046 1.00 0.00 H new ATOM 0 HA THR A 35 8.298 -7.230 -10.778 1.00 0.00 H new ATOM 0 HB THR A 35 8.297 -10.273 -10.672 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.456 -10.006 -12.691 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.073 -10.153 -12.810 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.151 -9.409 -11.482 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.998 -8.381 -12.663 1.00 0.00 H new ATOM 504 N ALA A 36 5.948 -7.537 -9.889 1.00 0.00 N ATOM 505 CA ALA A 36 4.660 -7.517 -9.206 1.00 0.00 C ATOM 506 C ALA A 36 3.528 -7.885 -10.159 1.00 0.00 C ATOM 507 O ALA A 36 3.631 -7.681 -11.369 1.00 0.00 O ATOM 508 CB ALA A 36 4.410 -6.149 -8.590 1.00 0.00 C ATOM 0 H ALA A 36 5.982 -6.978 -10.742 1.00 0.00 H new ATOM 0 HA ALA A 36 4.687 -8.262 -8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.445 -6.149 -8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.197 -5.925 -7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.408 -5.392 -9.374 1.00 0.00 H new ATOM 514 N TYR A 37 2.450 -8.429 -9.607 1.00 0.00 N ATOM 515 CA TYR A 37 1.299 -8.828 -10.409 1.00 0.00 C ATOM 516 C TYR A 37 0.137 -7.859 -10.216 1.00 0.00 C ATOM 517 O TYR A 37 -0.133 -7.413 -9.101 1.00 0.00 O ATOM 518 CB TYR A 37 0.862 -10.247 -10.040 1.00 0.00 C ATOM 519 CG TYR A 37 1.856 -11.312 -10.444 1.00 0.00 C ATOM 520 CD1 TYR A 37 3.008 -11.532 -9.700 1.00 0.00 C ATOM 521 CD2 TYR A 37 1.644 -12.097 -11.571 1.00 0.00 C ATOM 522 CE1 TYR A 37 3.920 -12.503 -10.065 1.00 0.00 C ATOM 523 CE2 TYR A 37 2.550 -13.071 -11.943 1.00 0.00 C ATOM 524 CZ TYR A 37 3.686 -13.271 -11.187 1.00 0.00 C ATOM 525 OH TYR A 37 4.591 -14.239 -11.556 1.00 0.00 O ATOM 0 H TYR A 37 2.348 -8.604 -8.607 1.00 0.00 H new ATOM 0 HA TYR A 37 1.594 -8.807 -11.458 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.703 -10.300 -8.963 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.096 -10.458 -10.515 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.194 -10.933 -8.821 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.756 -11.943 -12.166 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.811 -12.660 -9.475 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.370 -13.673 -12.821 1.00 0.00 H new ATOM 0 HH TYR A 37 4.276 -14.689 -12.367 1.00 0.00 H new ATOM 535 N GLN A 38 -0.546 -7.539 -11.310 1.00 0.00 N ATOM 536 CA GLN A 38 -1.679 -6.623 -11.261 1.00 0.00 C ATOM 537 C GLN A 38 -2.960 -7.317 -11.712 1.00 0.00 C ATOM 538 O GLN A 38 -2.933 -8.188 -12.581 1.00 0.00 O ATOM 539 CB GLN A 38 -1.412 -5.400 -12.140 1.00 0.00 C ATOM 540 CG GLN A 38 -2.573 -4.421 -12.191 1.00 0.00 C ATOM 541 CD GLN A 38 -2.742 -3.647 -10.898 1.00 0.00 C ATOM 542 OE1 GLN A 38 -3.539 -4.020 -10.037 1.00 0.00 O ATOM 543 NE2 GLN A 38 -1.989 -2.562 -10.754 1.00 0.00 N ATOM 0 H GLN A 38 -0.335 -7.900 -12.240 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.807 -6.299 -10.228 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.528 -4.882 -11.769 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.184 -5.734 -13.152 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.417 -3.721 -13.011 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.493 -4.965 -12.407 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.341 -2.289 -11.493 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.059 -2.002 -9.904 1.00 0.00 H new ATOM 552 N ARG A 39 -4.081 -6.924 -11.115 1.00 0.00 N ATOM 553 CA ARG A 39 -5.373 -7.510 -11.455 1.00 0.00 C ATOM 554 C ARG A 39 -6.249 -6.504 -12.195 1.00 0.00 C ATOM 555 O ARG A 39 -6.442 -5.377 -11.737 1.00 0.00 O ATOM 556 CB ARG A 39 -6.087 -7.991 -10.190 1.00 0.00 C ATOM 557 CG ARG A 39 -5.729 -9.413 -9.792 1.00 0.00 C ATOM 558 CD ARG A 39 -6.494 -10.433 -10.622 1.00 0.00 C ATOM 559 NE ARG A 39 -7.908 -10.483 -10.260 1.00 0.00 N ATOM 560 CZ ARG A 39 -8.852 -10.975 -11.054 1.00 0.00 C ATOM 561 NH1 ARG A 39 -8.535 -11.457 -12.248 1.00 0.00 N ATOM 562 NH2 ARG A 39 -10.118 -10.986 -10.655 1.00 0.00 N ATOM 0 H ARG A 39 -4.121 -6.203 -10.394 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.196 -8.362 -12.111 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.842 -7.320 -9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.164 -7.926 -10.344 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.658 -9.569 -9.919 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.950 -9.563 -8.735 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.399 -10.185 -11.679 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.050 -11.419 -10.485 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.186 -10.120 -9.348 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.564 -11.451 -12.559 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.263 -11.834 -12.855 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.367 -10.616 -9.738 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.842 -11.364 -11.266 1.00 0.00 H new ATOM 576 N LYS A 40 -6.776 -6.918 -13.342 1.00 0.00 N ATOM 577 CA LYS A 40 -7.633 -6.054 -14.147 1.00 0.00 C ATOM 578 C LYS A 40 -8.649 -5.328 -13.271 1.00 0.00 C ATOM 579 O LYS A 40 -9.151 -5.883 -12.295 1.00 0.00 O ATOM 580 CB LYS A 40 -8.358 -6.874 -15.216 1.00 0.00 C ATOM 581 CG LYS A 40 -7.527 -7.116 -16.464 1.00 0.00 C ATOM 582 CD LYS A 40 -8.360 -7.724 -17.580 1.00 0.00 C ATOM 583 CE LYS A 40 -7.513 -8.030 -18.805 1.00 0.00 C ATOM 584 NZ LYS A 40 -6.551 -9.138 -18.553 1.00 0.00 N ATOM 0 H LYS A 40 -6.625 -7.847 -13.736 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.003 -5.310 -14.634 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.648 -7.835 -14.791 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.277 -6.359 -15.496 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.095 -6.174 -16.803 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.696 -7.780 -16.226 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.832 -8.640 -17.225 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.161 -7.037 -17.853 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.163 -8.296 -19.638 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.966 -7.135 -19.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.127 -9.441 -19.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.802 -8.808 -17.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.051 -9.940 -18.119 1.00 0.00 H new ATOM 598 N GLY A 41 -8.950 -4.083 -13.630 1.00 0.00 N ATOM 599 CA GLY A 41 -9.906 -3.302 -12.867 1.00 0.00 C ATOM 600 C GLY A 41 -9.646 -3.363 -11.375 1.00 0.00 C ATOM 601 O GLY A 41 -10.547 -3.664 -10.593 1.00 0.00 O ATOM 0 H GLY A 41 -8.549 -3.602 -14.435 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.868 -2.264 -13.197 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.913 -3.665 -13.072 1.00 0.00 H new ATOM 605 N SER A 42 -8.409 -3.078 -10.979 1.00 0.00 N ATOM 606 CA SER A 42 -8.031 -3.107 -9.571 1.00 0.00 C ATOM 607 C SER A 42 -6.675 -2.441 -9.359 1.00 0.00 C ATOM 608 O SER A 42 -5.744 -2.642 -10.137 1.00 0.00 O ATOM 609 CB SER A 42 -7.989 -4.549 -9.062 1.00 0.00 C ATOM 610 OG SER A 42 -9.285 -5.004 -8.711 1.00 0.00 O ATOM 0 H SER A 42 -7.652 -2.824 -11.614 1.00 0.00 H new ATOM 0 HA SER A 42 -8.781 -2.552 -9.007 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.568 -5.197 -9.831 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.331 -4.613 -8.196 1.00 0.00 H new ATOM 0 HG SER A 42 -9.958 -4.409 -9.104 1.00 0.00 H new ATOM 616 N ALA A 43 -6.573 -1.646 -8.299 1.00 0.00 N ATOM 617 CA ALA A 43 -5.332 -0.951 -7.981 1.00 0.00 C ATOM 618 C ALA A 43 -4.574 -1.663 -6.866 1.00 0.00 C ATOM 619 O ALA A 43 -4.033 -1.023 -5.963 1.00 0.00 O ATOM 620 CB ALA A 43 -5.619 0.491 -7.591 1.00 0.00 C ATOM 0 H ALA A 43 -7.336 -1.467 -7.646 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.704 -0.956 -8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.683 0.998 -7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.110 1.001 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.270 0.509 -6.717 1.00 0.00 H new ATOM 626 N HIS A 44 -4.540 -2.990 -6.933 1.00 0.00 N ATOM 627 CA HIS A 44 -3.848 -3.789 -5.927 1.00 0.00 C ATOM 628 C HIS A 44 -2.849 -4.738 -6.581 1.00 0.00 C ATOM 629 O HIS A 44 -3.229 -5.626 -7.346 1.00 0.00 O ATOM 630 CB HIS A 44 -4.855 -4.583 -5.095 1.00 0.00 C ATOM 631 CG HIS A 44 -5.781 -3.721 -4.293 1.00 0.00 C ATOM 632 ND1 HIS A 44 -5.399 -2.517 -3.740 1.00 0.00 N ATOM 633 CD2 HIS A 44 -7.079 -3.894 -3.953 1.00 0.00 C ATOM 634 CE1 HIS A 44 -6.422 -1.988 -3.093 1.00 0.00 C ATOM 635 NE2 HIS A 44 -7.454 -2.803 -3.208 1.00 0.00 N ATOM 0 H HIS A 44 -4.983 -3.535 -7.673 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.302 -3.110 -5.272 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.444 -5.215 -5.759 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.314 -5.246 -4.420 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.704 -4.734 -4.218 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.415 -1.048 -2.560 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.380 -2.648 -2.808 1.00 0.00 H new ATOM 644 N LEU A 45 -1.570 -4.547 -6.275 1.00 0.00 N ATOM 645 CA LEU A 45 -0.516 -5.386 -6.834 1.00 0.00 C ATOM 646 C LEU A 45 -0.192 -6.547 -5.899 1.00 0.00 C ATOM 647 O LEU A 45 -0.668 -6.596 -4.765 1.00 0.00 O ATOM 648 CB LEU A 45 0.743 -4.555 -7.088 1.00 0.00 C ATOM 649 CG LEU A 45 0.636 -3.493 -8.183 1.00 0.00 C ATOM 650 CD1 LEU A 45 1.822 -2.543 -8.122 1.00 0.00 C ATOM 651 CD2 LEU A 45 0.544 -4.147 -9.554 1.00 0.00 C ATOM 0 H LEU A 45 -1.238 -3.818 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.872 -5.793 -7.780 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.022 -4.062 -6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.556 -5.233 -7.346 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.274 -2.917 -8.016 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.729 -1.794 -8.908 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.843 -2.049 -7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.746 -3.104 -8.263 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.468 -3.376 -10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.436 -4.748 -9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.338 -4.786 -9.594 1.00 0.00 H new ATOM 663 N PHE A 46 0.622 -7.480 -6.383 1.00 0.00 N ATOM 664 CA PHE A 46 1.011 -8.640 -5.590 1.00 0.00 C ATOM 665 C PHE A 46 2.492 -8.956 -5.779 1.00 0.00 C ATOM 666 O PHE A 46 3.086 -8.614 -6.802 1.00 0.00 O ATOM 667 CB PHE A 46 0.165 -9.855 -5.978 1.00 0.00 C ATOM 668 CG PHE A 46 -1.296 -9.690 -5.673 1.00 0.00 C ATOM 669 CD1 PHE A 46 -1.775 -9.879 -4.387 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.191 -9.346 -6.673 1.00 0.00 C ATOM 671 CE1 PHE A 46 -3.119 -9.728 -4.104 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.537 -9.193 -6.397 1.00 0.00 C ATOM 673 CZ PHE A 46 -4.001 -9.384 -5.110 1.00 0.00 C ATOM 0 H PHE A 46 1.025 -7.455 -7.320 1.00 0.00 H new ATOM 0 HA PHE A 46 0.839 -8.406 -4.539 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.286 -10.046 -7.044 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.541 -10.732 -5.452 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.090 -10.147 -3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.833 -9.195 -7.681 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.480 -9.879 -3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.224 -8.925 -7.186 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.052 -9.265 -4.891 1.00 0.00 H new ATOM 683 N CYS A 47 3.082 -9.611 -4.785 1.00 0.00 N ATOM 684 CA CYS A 47 4.494 -9.973 -4.838 1.00 0.00 C ATOM 685 C CYS A 47 4.718 -11.150 -5.783 1.00 0.00 C ATOM 686 O CYS A 47 5.682 -11.171 -6.548 1.00 0.00 O ATOM 687 CB CYS A 47 5.006 -10.322 -3.440 1.00 0.00 C ATOM 688 SG CYS A 47 4.429 -11.935 -2.818 1.00 0.00 S ATOM 0 H CYS A 47 2.604 -9.902 -3.932 1.00 0.00 H new ATOM 0 HA CYS A 47 5.050 -9.115 -5.216 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.096 -10.318 -3.452 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.692 -9.543 -2.745 1.00 0.00 H new ATOM 0 HG CYS A 47 4.111 -11.827 -1.562 1.00 0.00 H new ATOM 693 N SER A 48 3.820 -12.129 -5.723 1.00 0.00 N ATOM 694 CA SER A 48 3.921 -13.311 -6.570 1.00 0.00 C ATOM 695 C SER A 48 2.549 -13.942 -6.788 1.00 0.00 C ATOM 696 O SER A 48 1.578 -13.596 -6.113 1.00 0.00 O ATOM 697 CB SER A 48 4.870 -14.334 -5.943 1.00 0.00 C ATOM 698 OG SER A 48 5.276 -15.303 -6.894 1.00 0.00 O ATOM 0 H SER A 48 3.015 -12.126 -5.097 1.00 0.00 H new ATOM 0 HA SER A 48 4.318 -13.002 -7.537 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.746 -13.824 -5.542 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.377 -14.827 -5.105 1.00 0.00 H new ATOM 0 HG SER A 48 5.883 -15.944 -6.469 1.00 0.00 H new ATOM 704 N THR A 49 2.475 -14.870 -7.737 1.00 0.00 N ATOM 705 CA THR A 49 1.223 -15.549 -8.047 1.00 0.00 C ATOM 706 C THR A 49 0.613 -16.174 -6.798 1.00 0.00 C ATOM 707 O THR A 49 -0.576 -16.007 -6.524 1.00 0.00 O ATOM 708 CB THR A 49 1.426 -16.645 -9.109 1.00 0.00 C ATOM 709 OG1 THR A 49 2.433 -17.566 -8.676 1.00 0.00 O ATOM 710 CG2 THR A 49 1.828 -16.037 -10.444 1.00 0.00 C ATOM 0 H THR A 49 3.268 -15.169 -8.305 1.00 0.00 H new ATOM 0 HA THR A 49 0.543 -14.794 -8.441 1.00 0.00 H new ATOM 0 HB THR A 49 0.482 -17.174 -9.238 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.555 -18.261 -9.356 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.966 -16.831 -11.178 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.046 -15.359 -10.785 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.761 -15.485 -10.326 1.00 0.00 H new ATOM 718 N THR A 50 1.434 -16.895 -6.041 1.00 0.00 N ATOM 719 CA THR A 50 0.976 -17.546 -4.820 1.00 0.00 C ATOM 720 C THR A 50 0.031 -16.642 -4.037 1.00 0.00 C ATOM 721 O THR A 50 -0.928 -17.112 -3.424 1.00 0.00 O ATOM 722 CB THR A 50 2.158 -17.941 -3.916 1.00 0.00 C ATOM 723 OG1 THR A 50 1.673 -18.529 -2.704 1.00 0.00 O ATOM 724 CG2 THR A 50 3.017 -16.729 -3.589 1.00 0.00 C ATOM 0 H THR A 50 2.421 -17.043 -6.252 1.00 0.00 H new ATOM 0 HA THR A 50 0.444 -18.448 -5.123 1.00 0.00 H new ATOM 0 HB THR A 50 2.770 -18.667 -4.452 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.431 -18.779 -2.135 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.846 -17.032 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.409 -16.301 -4.512 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.413 -15.984 -3.071 1.00 0.00 H new ATOM 732 N CYS A 51 0.307 -15.343 -4.062 1.00 0.00 N ATOM 733 CA CYS A 51 -0.519 -14.372 -3.354 1.00 0.00 C ATOM 734 C CYS A 51 -1.680 -13.905 -4.228 1.00 0.00 C ATOM 735 O CYS A 51 -2.819 -13.811 -3.768 1.00 0.00 O ATOM 736 CB CYS A 51 0.325 -13.170 -2.924 1.00 0.00 C ATOM 737 SG CYS A 51 1.413 -13.497 -1.500 1.00 0.00 S ATOM 0 H CYS A 51 1.096 -14.938 -4.565 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.927 -14.857 -2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.935 -12.848 -3.768 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.340 -12.342 -2.677 1.00 0.00 H new ATOM 0 HG CYS A 51 2.597 -13.016 -1.739 1.00 0.00 H new ATOM 742 N LEU A 52 -1.383 -13.614 -5.489 1.00 0.00 N ATOM 743 CA LEU A 52 -2.402 -13.157 -6.429 1.00 0.00 C ATOM 744 C LEU A 52 -3.641 -14.045 -6.363 1.00 0.00 C ATOM 745 O LEU A 52 -4.770 -13.555 -6.391 1.00 0.00 O ATOM 746 CB LEU A 52 -1.843 -13.147 -7.852 1.00 0.00 C ATOM 747 CG LEU A 52 -2.845 -12.840 -8.965 1.00 0.00 C ATOM 748 CD1 LEU A 52 -2.933 -11.341 -9.205 1.00 0.00 C ATOM 749 CD2 LEU A 52 -2.459 -13.565 -10.246 1.00 0.00 C ATOM 0 H LEU A 52 -0.446 -13.686 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.689 -12.143 -6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.040 -12.411 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.396 -14.121 -8.052 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.827 -13.196 -8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.651 -11.141 -10.001 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.257 -10.845 -8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.954 -10.961 -9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.184 -13.335 -11.027 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.468 -13.240 -10.563 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.449 -14.640 -10.067 1.00 0.00 H new ATOM 761 N SER A 53 -3.421 -15.353 -6.273 1.00 0.00 N ATOM 762 CA SER A 53 -4.519 -16.310 -6.205 1.00 0.00 C ATOM 763 C SER A 53 -5.022 -16.457 -4.772 1.00 0.00 C ATOM 764 O SER A 53 -6.226 -16.413 -4.517 1.00 0.00 O ATOM 765 CB SER A 53 -4.073 -17.670 -6.744 1.00 0.00 C ATOM 766 OG SER A 53 -3.028 -18.213 -5.956 1.00 0.00 O ATOM 0 H SER A 53 -2.492 -15.774 -6.245 1.00 0.00 H new ATOM 0 HA SER A 53 -5.335 -15.934 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.920 -18.356 -6.754 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.737 -17.564 -7.776 1.00 0.00 H new ATOM 0 HG SER A 53 -2.762 -19.083 -6.320 1.00 0.00 H new ATOM 772 N SER A 54 -4.091 -16.634 -3.840 1.00 0.00 N ATOM 773 CA SER A 54 -4.439 -16.793 -2.433 1.00 0.00 C ATOM 774 C SER A 54 -5.422 -15.713 -1.991 1.00 0.00 C ATOM 775 O SER A 54 -6.417 -15.998 -1.324 1.00 0.00 O ATOM 776 CB SER A 54 -3.180 -16.738 -1.565 1.00 0.00 C ATOM 777 OG SER A 54 -2.516 -17.990 -1.551 1.00 0.00 O ATOM 0 H SER A 54 -3.090 -16.671 -4.034 1.00 0.00 H new ATOM 0 HA SER A 54 -4.915 -17.766 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.506 -15.970 -1.944 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.448 -16.453 -0.548 1.00 0.00 H new ATOM 0 HG SER A 54 -1.835 -18.007 -2.256 1.00 0.00 H new ATOM 783 N PHE A 55 -5.136 -14.471 -2.367 1.00 0.00 N ATOM 784 CA PHE A 55 -5.993 -13.347 -2.010 1.00 0.00 C ATOM 785 C PHE A 55 -7.463 -13.698 -2.214 1.00 0.00 C ATOM 786 O PHE A 55 -8.274 -13.579 -1.296 1.00 0.00 O ATOM 787 CB PHE A 55 -5.630 -12.116 -2.844 1.00 0.00 C ATOM 788 CG PHE A 55 -6.289 -10.853 -2.368 1.00 0.00 C ATOM 789 CD1 PHE A 55 -5.779 -10.154 -1.286 1.00 0.00 C ATOM 790 CD2 PHE A 55 -7.421 -10.366 -3.001 1.00 0.00 C ATOM 791 CE1 PHE A 55 -6.383 -8.992 -0.845 1.00 0.00 C ATOM 792 CE2 PHE A 55 -8.030 -9.204 -2.566 1.00 0.00 C ATOM 793 CZ PHE A 55 -7.511 -8.517 -1.486 1.00 0.00 C ATOM 0 H PHE A 55 -4.317 -14.218 -2.919 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.834 -13.122 -0.955 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.549 -11.981 -2.826 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.912 -12.294 -3.882 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.898 -10.522 -0.781 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.832 -10.901 -3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.974 -8.456 -0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.911 -8.834 -3.070 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.986 -7.610 -1.143 1.00 0.00 H new ATOM 803 N SER A 56 -7.800 -14.129 -3.426 1.00 0.00 N ATOM 804 CA SER A 56 -9.173 -14.493 -3.753 1.00 0.00 C ATOM 805 C SER A 56 -9.218 -15.810 -4.522 1.00 0.00 C ATOM 806 O SER A 56 -8.692 -15.913 -5.630 1.00 0.00 O ATOM 807 CB SER A 56 -9.834 -13.386 -4.577 1.00 0.00 C ATOM 808 OG SER A 56 -9.032 -13.031 -5.690 1.00 0.00 O ATOM 0 H SER A 56 -7.141 -14.234 -4.197 1.00 0.00 H new ATOM 0 HA SER A 56 -9.721 -14.619 -2.819 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.813 -13.720 -4.922 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.999 -12.510 -3.949 1.00 0.00 H new ATOM 0 HG SER A 56 -8.629 -13.838 -6.074 1.00 0.00 H new