USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 398 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 44 CYS SG : rot 149:sc= 1.71 USER MOD Set 1.2: A 47 CYS SG : rot -53:sc= -1.7! USER MOD Set 1.3: A 65 CYS SG : rot -131:sc= -3.8! USER MOD Set 1.4: A 68 CYS SG : rot 155:sc= 1.27 USER MOD Set 2.1: A 18 CYS SG : rot 30:sc= -1.13! USER MOD Set 2.2: A 21 CYS SG : rot 180:sc= 0.112 USER MOD Set 2.3: A 38 HIS : no HD1:sc= -4.34! C(o=-6.1!,f=-7.3!) USER MOD Set 2.4: A 41 CYS SG : rot -167:sc= -0.764 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.346) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 32 TYR OH : rot 15:sc= -0.0613 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -140:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -3 K(o=-3,f=-6!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 54 GLN : amide:sc= -0.751 K(o=-0.75,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.023 USER MOD Single : A 58 SER OG : rot -129:sc= 0.6! USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N PRO A 16 3.870 11.217 -2.647 1.00 0.00 N ATOM 194 CA PRO A 16 2.953 10.376 -1.872 1.00 0.00 C ATOM 195 C PRO A 16 3.652 9.667 -0.717 1.00 0.00 C ATOM 196 O PRO A 16 4.869 9.486 -0.733 1.00 0.00 O ATOM 197 CB PRO A 16 2.452 9.358 -2.899 1.00 0.00 C ATOM 198 CG PRO A 16 3.531 9.291 -3.924 1.00 0.00 C ATOM 199 CD PRO A 16 4.125 10.670 -3.990 1.00 0.00 C ATOM 0 HA PRO A 16 2.159 10.960 -1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.281 8.384 -2.440 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.506 9.673 -3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.285 8.554 -3.649 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.131 8.992 -4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.191 10.638 -4.215 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.654 11.274 -4.766 1.00 0.00 H new ATOM 207 N ARG A 17 2.873 9.268 0.284 1.00 0.00 N ATOM 208 CA ARG A 17 3.418 8.580 1.448 1.00 0.00 C ATOM 209 C ARG A 17 2.603 7.332 1.773 1.00 0.00 C ATOM 210 O ARG A 17 1.373 7.346 1.704 1.00 0.00 O ATOM 211 CB ARG A 17 3.441 9.517 2.657 1.00 0.00 C ATOM 212 CG ARG A 17 4.182 10.820 2.405 1.00 0.00 C ATOM 213 CD ARG A 17 4.359 11.617 3.687 1.00 0.00 C ATOM 214 NE ARG A 17 4.889 12.954 3.432 1.00 0.00 N ATOM 215 CZ ARG A 17 4.185 13.930 2.870 1.00 0.00 C ATOM 216 NH1 ARG A 17 2.927 13.719 2.507 1.00 0.00 N ATOM 217 NH2 ARG A 17 4.738 15.119 2.670 1.00 0.00 N ATOM 0 H ARG A 17 1.863 9.409 0.312 1.00 0.00 H new ATOM 0 HA ARG A 17 4.438 8.276 1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.416 9.743 2.950 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.906 9.001 3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.159 10.606 1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.633 11.417 1.677 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.400 11.699 4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.032 11.082 4.356 1.00 0.00 H new ATOM 0 HE ARG A 17 5.854 13.149 3.700 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.499 12.806 2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.388 14.470 2.076 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.705 15.285 2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.196 15.867 2.238 1.00 0.00 H new ATOM 231 N CYS A 18 3.295 6.254 2.126 1.00 0.00 N ATOM 232 CA CYS A 18 2.637 4.997 2.461 1.00 0.00 C ATOM 233 C CYS A 18 1.386 5.245 3.299 1.00 0.00 C ATOM 234 O CYS A 18 1.446 5.889 4.346 1.00 0.00 O ATOM 235 CB CYS A 18 3.599 4.080 3.218 1.00 0.00 C ATOM 236 SG CYS A 18 2.906 2.442 3.615 1.00 0.00 S ATOM 0 H CYS A 18 4.313 6.226 2.187 1.00 0.00 H new ATOM 0 HA CYS A 18 2.340 4.512 1.531 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.502 3.946 2.622 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.899 4.570 4.144 1.00 0.00 H new ATOM 0 HG CYS A 18 2.039 2.106 2.706 1.00 0.00 H new ATOM 241 N ALA A 19 0.255 4.729 2.831 1.00 0.00 N ATOM 242 CA ALA A 19 -1.009 4.891 3.538 1.00 0.00 C ATOM 243 C ALA A 19 -0.944 4.271 4.930 1.00 0.00 C ATOM 244 O ALA A 19 -1.764 4.577 5.795 1.00 0.00 O ATOM 245 CB ALA A 19 -2.146 4.274 2.736 1.00 0.00 C ATOM 0 H ALA A 19 0.188 4.195 1.965 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.197 5.958 3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.084 4.403 3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.216 4.766 1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.954 3.211 2.591 1.00 0.00 H new ATOM 251 N ARG A 20 0.037 3.399 5.138 1.00 0.00 N ATOM 252 CA ARG A 20 0.208 2.734 6.424 1.00 0.00 C ATOM 253 C ARG A 20 1.115 3.550 7.341 1.00 0.00 C ATOM 254 O ARG A 20 0.692 4.007 8.404 1.00 0.00 O ATOM 255 CB ARG A 20 0.793 1.335 6.226 1.00 0.00 C ATOM 256 CG ARG A 20 1.198 0.654 7.523 1.00 0.00 C ATOM 257 CD ARG A 20 -0.017 0.228 8.332 1.00 0.00 C ATOM 258 NE ARG A 20 0.357 -0.325 9.631 1.00 0.00 N ATOM 259 CZ ARG A 20 -0.408 -1.165 10.320 1.00 0.00 C ATOM 260 NH1 ARG A 20 -1.581 -1.547 9.835 1.00 0.00 N ATOM 261 NH2 ARG A 20 0.002 -1.625 11.495 1.00 0.00 N ATOM 0 H ARG A 20 0.725 3.137 4.433 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.772 2.647 6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.059 0.713 5.713 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.664 1.404 5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.812 -0.218 7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.811 1.333 8.116 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.674 1.085 8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.584 -0.515 7.771 1.00 0.00 H new ATOM 0 HE ARG A 20 1.254 -0.051 10.031 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.898 -1.196 8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.167 -2.192 10.366 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.905 -1.334 11.870 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.586 -2.270 12.023 1.00 0.00 H new ATOM 275 N CYS A 21 2.363 3.730 6.924 1.00 0.00 N ATOM 276 CA CYS A 21 3.330 4.490 7.706 1.00 0.00 C ATOM 277 C CYS A 21 3.263 5.975 7.362 1.00 0.00 C ATOM 278 O CYS A 21 3.371 6.832 8.239 1.00 0.00 O ATOM 279 CB CYS A 21 4.745 3.962 7.460 1.00 0.00 C ATOM 280 SG CYS A 21 4.823 2.173 7.125 1.00 0.00 S ATOM 0 H CYS A 21 2.729 3.359 6.047 1.00 0.00 H new ATOM 0 HA CYS A 21 3.082 4.368 8.760 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.180 4.498 6.616 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.361 4.185 8.331 1.00 0.00 H new ATOM 0 HG CYS A 21 6.059 1.822 6.928 1.00 0.00 H new ATOM 285 N SER A 22 3.082 6.271 6.079 1.00 0.00 N ATOM 286 CA SER A 22 3.004 7.652 5.617 1.00 0.00 C ATOM 287 C SER A 22 4.350 8.353 5.768 1.00 0.00 C ATOM 288 O SER A 22 4.432 9.459 6.302 1.00 0.00 O ATOM 289 CB SER A 22 1.930 8.413 6.397 1.00 0.00 C ATOM 290 OG SER A 22 1.468 9.536 5.667 1.00 0.00 O ATOM 0 H SER A 22 2.987 5.573 5.341 1.00 0.00 H new ATOM 0 HA SER A 22 2.737 7.641 4.560 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.094 7.748 6.614 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.335 8.740 7.355 1.00 0.00 H new ATOM 0 HG SER A 22 0.781 10.004 6.187 1.00 0.00 H new ATOM 296 N LYS A 23 5.406 7.700 5.294 1.00 0.00 N ATOM 297 CA LYS A 23 6.751 8.259 5.374 1.00 0.00 C ATOM 298 C LYS A 23 7.086 9.052 4.115 1.00 0.00 C ATOM 299 O LYS A 23 7.079 10.284 4.124 1.00 0.00 O ATOM 300 CB LYS A 23 7.778 7.142 5.574 1.00 0.00 C ATOM 301 CG LYS A 23 7.523 6.296 6.810 1.00 0.00 C ATOM 302 CD LYS A 23 8.135 6.924 8.051 1.00 0.00 C ATOM 303 CE LYS A 23 7.860 6.088 9.292 1.00 0.00 C ATOM 304 NZ LYS A 23 6.461 6.257 9.775 1.00 0.00 N ATOM 0 H LYS A 23 5.356 6.783 4.850 1.00 0.00 H new ATOM 0 HA LYS A 23 6.787 8.935 6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.776 6.497 4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.773 7.582 5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.449 6.175 6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.939 5.299 6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.211 7.030 7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.731 7.927 8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.043 5.037 9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.554 6.372 10.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.111 5.352 10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.438 6.974 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.856 6.563 8.986 1.00 0.00 H new ATOM 318 N THR A 24 7.378 8.339 3.032 1.00 0.00 N ATOM 319 CA THR A 24 7.715 8.977 1.765 1.00 0.00 C ATOM 320 C THR A 24 7.805 7.952 0.640 1.00 0.00 C ATOM 321 O THR A 24 8.235 6.818 0.853 1.00 0.00 O ATOM 322 CB THR A 24 9.051 9.739 1.858 1.00 0.00 C ATOM 323 OG1 THR A 24 9.904 9.116 2.824 1.00 0.00 O ATOM 324 CG2 THR A 24 8.819 11.193 2.241 1.00 0.00 C ATOM 0 H THR A 24 7.388 7.319 3.007 1.00 0.00 H new ATOM 0 HA THR A 24 6.916 9.685 1.545 1.00 0.00 H new ATOM 0 HB THR A 24 9.530 9.710 0.879 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.751 9.605 2.876 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.776 11.711 2.301 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.193 11.672 1.488 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.321 11.239 3.209 1.00 0.00 H new ATOM 332 N LEU A 25 7.398 8.358 -0.557 1.00 0.00 N ATOM 333 CA LEU A 25 7.433 7.474 -1.717 1.00 0.00 C ATOM 334 C LEU A 25 8.003 8.196 -2.934 1.00 0.00 C ATOM 335 O LEU A 25 7.503 8.046 -4.050 1.00 0.00 O ATOM 336 CB LEU A 25 6.029 6.954 -2.030 1.00 0.00 C ATOM 337 CG LEU A 25 5.402 6.039 -0.977 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.891 6.213 -0.950 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.769 4.587 -1.245 1.00 0.00 C ATOM 0 H LEU A 25 7.040 9.293 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 25 8.081 6.630 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.371 7.810 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.066 6.414 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 25 5.797 6.318 0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.462 5.554 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.648 7.248 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.478 5.962 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.314 3.951 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.404 4.295 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.853 4.474 -1.212 1.00 0.00 H new ATOM 396 N VAL A 30 4.000 1.473 -4.849 1.00 0.00 N ATOM 397 CA VAL A 30 2.765 0.933 -5.404 1.00 0.00 C ATOM 398 C VAL A 30 1.547 1.656 -4.840 1.00 0.00 C ATOM 399 O VAL A 30 1.671 2.530 -3.981 1.00 0.00 O ATOM 400 CB VAL A 30 2.631 -0.574 -5.117 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.689 -1.359 -5.877 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.729 -0.842 -3.622 1.00 0.00 C ATOM 0 HA VAL A 30 2.810 1.087 -6.482 1.00 0.00 H new ATOM 0 HB VAL A 30 1.651 -0.905 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.578 -2.422 -5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.568 -1.191 -6.947 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.680 -1.027 -5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.632 -1.912 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.694 -0.496 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.931 -0.311 -3.104 1.00 0.00 H new ATOM 412 N THR A 31 0.367 1.287 -5.329 1.00 0.00 N ATOM 413 CA THR A 31 -0.875 1.901 -4.876 1.00 0.00 C ATOM 414 C THR A 31 -1.966 0.854 -4.680 1.00 0.00 C ATOM 415 O THR A 31 -2.307 0.118 -5.607 1.00 0.00 O ATOM 416 CB THR A 31 -1.372 2.965 -5.872 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.409 3.750 -5.273 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.893 2.314 -7.144 1.00 0.00 C ATOM 0 H THR A 31 0.246 0.565 -6.039 1.00 0.00 H new ATOM 0 HA THR A 31 -0.661 2.381 -3.921 1.00 0.00 H new ATOM 0 HB THR A 31 -0.532 3.610 -6.130 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.719 4.425 -5.912 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.239 3.085 -7.832 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.093 1.741 -7.613 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.721 1.649 -6.899 1.00 0.00 H new ATOM 426 N TYR A 32 -2.511 0.794 -3.471 1.00 0.00 N ATOM 427 CA TYR A 32 -3.563 -0.164 -3.154 1.00 0.00 C ATOM 428 C TYR A 32 -4.859 0.552 -2.785 1.00 0.00 C ATOM 429 O TYR A 32 -4.900 1.335 -1.836 1.00 0.00 O ATOM 430 CB TYR A 32 -3.125 -1.073 -2.004 1.00 0.00 C ATOM 431 CG TYR A 32 -4.279 -1.681 -1.239 1.00 0.00 C ATOM 432 CD1 TYR A 32 -4.863 -1.008 -0.173 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.786 -2.928 -1.583 1.00 0.00 C ATOM 434 CE1 TYR A 32 -5.917 -1.560 0.529 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.840 -3.487 -0.887 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.402 -2.800 0.168 1.00 0.00 C ATOM 437 OH TYR A 32 -7.453 -3.352 0.864 1.00 0.00 O ATOM 0 H TYR A 32 -2.242 1.397 -2.694 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.744 -0.772 -4.040 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.502 -1.874 -2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.505 -0.500 -1.315 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.486 -0.037 0.112 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.348 -3.469 -2.409 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.359 -1.024 1.356 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.222 -4.457 -1.168 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.885 -2.660 1.407 1.00 0.00 H new ATOM 447 N ARG A 33 -5.916 0.276 -3.542 1.00 0.00 N ATOM 448 CA ARG A 33 -7.214 0.893 -3.297 1.00 0.00 C ATOM 449 C ARG A 33 -7.136 2.407 -3.467 1.00 0.00 C ATOM 450 O ARG A 33 -7.506 3.163 -2.568 1.00 0.00 O ATOM 451 CB ARG A 33 -7.707 0.552 -1.890 1.00 0.00 C ATOM 452 CG ARG A 33 -8.227 -0.870 -1.755 1.00 0.00 C ATOM 453 CD ARG A 33 -9.187 -1.003 -0.583 1.00 0.00 C ATOM 454 NE ARG A 33 -10.504 -0.450 -0.889 1.00 0.00 N ATOM 455 CZ ARG A 33 -11.416 -0.168 0.035 1.00 0.00 C ATOM 456 NH1 ARG A 33 -11.155 -0.386 1.316 1.00 0.00 N ATOM 457 NH2 ARG A 33 -12.591 0.334 -0.322 1.00 0.00 N ATOM 0 H ARG A 33 -5.899 -0.371 -4.330 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.920 0.498 -4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.891 0.700 -1.182 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.499 1.247 -1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.732 -1.163 -2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.389 -1.554 -1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.289 -2.055 -0.315 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.772 -0.492 0.286 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.736 -0.270 -1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.252 -0.771 1.594 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.857 -0.169 2.024 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.795 0.504 -1.307 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.290 0.550 0.388 1.00 0.00 H new ATOM 471 N ASP A 34 -6.653 2.844 -4.625 1.00 0.00 N ATOM 472 CA ASP A 34 -6.527 4.268 -4.913 1.00 0.00 C ATOM 473 C ASP A 34 -5.740 4.977 -3.816 1.00 0.00 C ATOM 474 O ASP A 34 -6.045 6.114 -3.458 1.00 0.00 O ATOM 475 CB ASP A 34 -7.910 4.904 -5.059 1.00 0.00 C ATOM 476 CG ASP A 34 -8.431 4.838 -6.482 1.00 0.00 C ATOM 477 OD1 ASP A 34 -7.603 4.824 -7.417 1.00 0.00 O ATOM 478 OD2 ASP A 34 -9.666 4.801 -6.660 1.00 0.00 O ATOM 0 H ASP A 34 -6.342 2.232 -5.380 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.984 4.377 -5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.611 4.399 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.863 5.945 -4.740 1.00 0.00 H new ATOM 483 N GLN A 35 -4.729 4.297 -3.286 1.00 0.00 N ATOM 484 CA GLN A 35 -3.900 4.862 -2.228 1.00 0.00 C ATOM 485 C GLN A 35 -2.471 4.334 -2.315 1.00 0.00 C ATOM 486 O GLN A 35 -2.232 3.169 -2.632 1.00 0.00 O ATOM 487 CB GLN A 35 -4.494 4.536 -0.857 1.00 0.00 C ATOM 488 CG GLN A 35 -5.851 5.177 -0.614 1.00 0.00 C ATOM 489 CD GLN A 35 -6.272 5.118 0.841 1.00 0.00 C ATOM 490 OE1 GLN A 35 -5.924 5.991 1.636 1.00 0.00 O ATOM 491 NE2 GLN A 35 -7.025 4.084 1.198 1.00 0.00 N ATOM 0 H GLN A 35 -4.464 3.354 -3.572 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.877 5.944 -2.358 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.590 3.455 -0.759 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.802 4.866 -0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.820 6.217 -0.937 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.601 4.675 -1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.290 3.383 0.506 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.338 3.991 2.164 1.00 0.00 H new ATOM 500 N PRO A 36 -1.498 5.211 -2.028 1.00 0.00 N ATOM 501 CA PRO A 36 -0.076 4.856 -2.066 1.00 0.00 C ATOM 502 C PRO A 36 0.315 3.904 -0.941 1.00 0.00 C ATOM 503 O PRO A 36 0.018 4.154 0.227 1.00 0.00 O ATOM 504 CB PRO A 36 0.631 6.203 -1.897 1.00 0.00 C ATOM 505 CG PRO A 36 -0.351 7.057 -1.173 1.00 0.00 C ATOM 506 CD PRO A 36 -1.710 6.616 -1.642 1.00 0.00 C ATOM 0 HA PRO A 36 0.188 4.333 -2.985 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.556 6.096 -1.331 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.896 6.635 -2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.252 6.936 -0.094 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.186 8.112 -1.392 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.457 6.708 -0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.059 7.215 -2.483 1.00 0.00 H new ATOM 514 N TRP A 37 0.981 2.813 -1.300 1.00 0.00 N ATOM 515 CA TRP A 37 1.412 1.823 -0.319 1.00 0.00 C ATOM 516 C TRP A 37 2.873 1.444 -0.535 1.00 0.00 C ATOM 517 O TRP A 37 3.394 1.547 -1.646 1.00 0.00 O ATOM 518 CB TRP A 37 0.532 0.575 -0.402 1.00 0.00 C ATOM 519 CG TRP A 37 -0.742 0.695 0.379 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.815 1.486 0.082 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.075 0.002 1.587 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.794 1.327 1.032 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.365 0.421 1.966 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.410 -0.934 2.384 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -3.000 -0.062 3.107 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -1.041 -1.413 3.516 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.325 -0.977 3.869 1.00 0.00 C ATOM 0 H TRP A 37 1.235 2.591 -2.263 1.00 0.00 H new ATOM 0 HA TRP A 37 1.312 2.264 0.673 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.292 0.377 -1.447 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.095 -0.283 -0.036 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.884 2.141 -0.774 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.695 1.806 1.041 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.579 -1.277 2.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.989 0.273 3.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.536 -2.136 4.139 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.791 -1.371 4.760 1.00 0.00 H new ATOM 538 N HIS A 38 3.530 1.006 0.534 1.00 0.00 N ATOM 539 CA HIS A 38 4.932 0.610 0.461 1.00 0.00 C ATOM 540 C HIS A 38 5.070 -0.802 -0.098 1.00 0.00 C ATOM 541 O HIS A 38 4.571 -1.764 0.488 1.00 0.00 O ATOM 542 CB HIS A 38 5.579 0.689 1.844 1.00 0.00 C ATOM 543 CG HIS A 38 6.196 2.021 2.142 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.183 2.593 3.397 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.847 2.895 1.339 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.798 3.761 3.353 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.212 3.967 2.115 1.00 0.00 N ATOM 0 H HIS A 38 3.114 0.916 1.461 1.00 0.00 H new ATOM 0 HA HIS A 38 5.443 1.299 -0.211 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.826 0.469 2.601 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.345 -0.083 1.922 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.043 2.772 0.284 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.939 4.433 4.187 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.720 4.789 1.789 1.00 0.00 H new ATOM 555 N ARG A 39 5.749 -0.920 -1.235 1.00 0.00 N ATOM 556 CA ARG A 39 5.950 -2.215 -1.874 1.00 0.00 C ATOM 557 C ARG A 39 6.118 -3.316 -0.830 1.00 0.00 C ATOM 558 O ARG A 39 5.579 -4.412 -0.980 1.00 0.00 O ATOM 559 CB ARG A 39 7.177 -2.172 -2.787 1.00 0.00 C ATOM 560 CG ARG A 39 6.999 -1.280 -4.004 1.00 0.00 C ATOM 561 CD ARG A 39 7.816 -1.780 -5.185 1.00 0.00 C ATOM 562 NE ARG A 39 9.150 -1.185 -5.219 1.00 0.00 N ATOM 563 CZ ARG A 39 10.193 -1.684 -4.565 1.00 0.00 C ATOM 564 NH1 ARG A 39 10.058 -2.780 -3.832 1.00 0.00 N ATOM 565 NH2 ARG A 39 11.375 -1.086 -4.645 1.00 0.00 N ATOM 0 H ARG A 39 6.169 -0.135 -1.732 1.00 0.00 H new ATOM 0 HA ARG A 39 5.067 -2.437 -2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.035 -1.822 -2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.408 -3.184 -3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.945 -1.244 -4.279 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.299 -0.262 -3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.904 -2.865 -5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.292 -1.548 -6.112 1.00 0.00 H new ATOM 0 HE ARG A 39 9.288 -0.341 -5.775 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.151 -3.243 -3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.861 -3.161 -3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.483 -0.243 -5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.176 -1.469 -4.143 1.00 0.00 H new ATOM 579 N GLU A 40 6.869 -3.015 0.224 1.00 0.00 N ATOM 580 CA GLU A 40 7.108 -3.981 1.291 1.00 0.00 C ATOM 581 C GLU A 40 5.864 -4.153 2.158 1.00 0.00 C ATOM 582 O GLU A 40 5.424 -5.273 2.418 1.00 0.00 O ATOM 583 CB GLU A 40 8.288 -3.535 2.157 1.00 0.00 C ATOM 584 CG GLU A 40 9.575 -3.334 1.374 1.00 0.00 C ATOM 585 CD GLU A 40 10.722 -2.865 2.248 1.00 0.00 C ATOM 586 OE1 GLU A 40 10.741 -3.221 3.445 1.00 0.00 O ATOM 587 OE2 GLU A 40 11.601 -2.141 1.735 1.00 0.00 O ATOM 0 H GLU A 40 7.322 -2.112 0.363 1.00 0.00 H new ATOM 0 HA GLU A 40 7.345 -4.940 0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.028 -2.603 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.458 -4.279 2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.851 -4.271 0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.404 -2.604 0.582 1.00 0.00 H new ATOM 594 N CYS A 41 5.300 -3.035 2.603 1.00 0.00 N ATOM 595 CA CYS A 41 4.108 -3.059 3.441 1.00 0.00 C ATOM 596 C CYS A 41 2.975 -3.816 2.754 1.00 0.00 C ATOM 597 O CYS A 41 2.390 -4.735 3.328 1.00 0.00 O ATOM 598 CB CYS A 41 3.659 -1.634 3.768 1.00 0.00 C ATOM 599 SG CYS A 41 4.734 -0.770 4.958 1.00 0.00 S ATOM 0 H CYS A 41 5.651 -2.100 2.396 1.00 0.00 H new ATOM 0 HA CYS A 41 4.357 -3.575 4.368 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.619 -1.056 2.845 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.645 -1.667 4.168 1.00 0.00 H new ATOM 0 HG CYS A 41 4.136 0.303 5.384 1.00 0.00 H new ATOM 604 N LEU A 42 2.672 -3.424 1.521 1.00 0.00 N ATOM 605 CA LEU A 42 1.610 -4.066 0.754 1.00 0.00 C ATOM 606 C LEU A 42 1.762 -5.583 0.777 1.00 0.00 C ATOM 607 O LEU A 42 2.413 -6.166 -0.090 1.00 0.00 O ATOM 608 CB LEU A 42 1.623 -3.562 -0.691 1.00 0.00 C ATOM 609 CG LEU A 42 0.543 -4.135 -1.610 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.841 -3.870 -1.039 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.667 -3.546 -3.008 1.00 0.00 C ATOM 0 H LEU A 42 3.146 -2.665 1.031 1.00 0.00 H new ATOM 0 HA LEU A 42 0.656 -3.809 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.522 -2.477 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.598 -3.786 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 42 0.684 -5.214 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.596 -4.285 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.926 -4.339 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.995 -2.795 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.109 -3.964 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.552 -2.463 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.647 -3.788 -3.419 1.00 0.00 H new ATOM 623 N VAL A 43 1.154 -6.218 1.774 1.00 0.00 N ATOM 624 CA VAL A 43 1.218 -7.668 1.909 1.00 0.00 C ATOM 625 C VAL A 43 -0.129 -8.241 2.336 1.00 0.00 C ATOM 626 O VAL A 43 -0.971 -7.531 2.886 1.00 0.00 O ATOM 627 CB VAL A 43 2.290 -8.090 2.931 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.645 -7.509 2.555 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.887 -7.661 4.333 1.00 0.00 C ATOM 0 H VAL A 43 0.611 -5.751 2.500 1.00 0.00 H new ATOM 0 HA VAL A 43 1.484 -8.065 0.929 1.00 0.00 H new ATOM 0 HB VAL A 43 2.372 -9.177 2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.390 -7.818 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.935 -7.871 1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.582 -6.421 2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.656 -7.967 5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.776 -6.577 4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.940 -8.131 4.599 1.00 0.00 H new ATOM 639 N CYS A 44 -0.326 -9.530 2.080 1.00 0.00 N ATOM 640 CA CYS A 44 -1.570 -10.200 2.437 1.00 0.00 C ATOM 641 C CYS A 44 -1.862 -10.045 3.927 1.00 0.00 C ATOM 642 O CYS A 44 -0.966 -9.756 4.721 1.00 0.00 O ATOM 643 CB CYS A 44 -1.499 -11.683 2.071 1.00 0.00 C ATOM 644 SG CYS A 44 -3.083 -12.567 2.237 1.00 0.00 S ATOM 0 H CYS A 44 0.361 -10.132 1.626 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.379 -9.734 1.875 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.149 -11.776 1.043 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.757 -12.168 2.705 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.140 -13.523 1.358 1.00 0.00 H new ATOM 649 N THR A 45 -3.123 -10.242 4.301 1.00 0.00 N ATOM 650 CA THR A 45 -3.534 -10.124 5.694 1.00 0.00 C ATOM 651 C THR A 45 -3.540 -11.484 6.382 1.00 0.00 C ATOM 652 O THR A 45 -3.657 -11.572 7.604 1.00 0.00 O ATOM 653 CB THR A 45 -4.935 -9.494 5.815 1.00 0.00 C ATOM 654 OG1 THR A 45 -5.016 -8.320 5.000 1.00 0.00 O ATOM 655 CG2 THR A 45 -5.244 -9.137 7.261 1.00 0.00 C ATOM 0 H THR A 45 -3.877 -10.484 3.658 1.00 0.00 H new ATOM 0 HA THR A 45 -2.808 -9.475 6.184 1.00 0.00 H new ATOM 0 HB THR A 45 -5.669 -10.224 5.473 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.518 -7.626 5.475 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.238 -8.694 7.322 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.210 -10.038 7.873 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.505 -8.423 7.625 1.00 0.00 H new ATOM 663 N GLY A 46 -3.413 -12.544 5.590 1.00 0.00 N ATOM 664 CA GLY A 46 -3.405 -13.886 6.142 1.00 0.00 C ATOM 665 C GLY A 46 -2.020 -14.501 6.153 1.00 0.00 C ATOM 666 O GLY A 46 -1.505 -14.872 7.208 1.00 0.00 O ATOM 0 H GLY A 46 -3.315 -12.497 4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.795 -13.859 7.159 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.075 -14.519 5.560 1.00 0.00 H new ATOM 670 N CYS A 47 -1.414 -14.612 4.975 1.00 0.00 N ATOM 671 CA CYS A 47 -0.080 -15.188 4.852 1.00 0.00 C ATOM 672 C CYS A 47 0.991 -14.106 4.956 1.00 0.00 C ATOM 673 O CYS A 47 2.160 -14.400 5.205 1.00 0.00 O ATOM 674 CB CYS A 47 0.056 -15.930 3.521 1.00 0.00 C ATOM 675 SG CYS A 47 -0.218 -14.884 2.055 1.00 0.00 S ATOM 0 H CYS A 47 -1.826 -14.310 4.092 1.00 0.00 H new ATOM 0 HA CYS A 47 0.061 -15.894 5.670 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.053 -16.367 3.461 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.656 -16.756 3.503 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.355 -14.264 2.171 1.00 0.00 H new ATOM 680 N GLN A 48 0.583 -12.856 4.764 1.00 0.00 N ATOM 681 CA GLN A 48 1.508 -11.731 4.836 1.00 0.00 C ATOM 682 C GLN A 48 2.525 -11.789 3.701 1.00 0.00 C ATOM 683 O GLN A 48 3.726 -11.628 3.920 1.00 0.00 O ATOM 684 CB GLN A 48 2.230 -11.724 6.185 1.00 0.00 C ATOM 685 CG GLN A 48 1.292 -11.642 7.378 1.00 0.00 C ATOM 686 CD GLN A 48 0.188 -10.621 7.183 1.00 0.00 C ATOM 687 OE1 GLN A 48 -0.994 -10.932 7.332 1.00 0.00 O ATOM 688 NE2 GLN A 48 0.569 -9.394 6.849 1.00 0.00 N ATOM 0 H GLN A 48 -0.382 -12.597 4.557 1.00 0.00 H new ATOM 0 HA GLN A 48 0.932 -10.811 4.735 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.833 -12.628 6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.917 -10.878 6.215 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.848 -12.622 7.555 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.865 -11.386 8.269 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.560 -9.181 6.736 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.129 -8.665 6.705 1.00 0.00 H new ATOM 697 N THR A 49 2.036 -12.021 2.487 1.00 0.00 N ATOM 698 CA THR A 49 2.902 -12.102 1.317 1.00 0.00 C ATOM 699 C THR A 49 2.863 -10.808 0.514 1.00 0.00 C ATOM 700 O THR A 49 1.820 -10.171 0.367 1.00 0.00 O ATOM 701 CB THR A 49 2.501 -13.274 0.401 1.00 0.00 C ATOM 702 OG1 THR A 49 3.471 -13.437 -0.639 1.00 0.00 O ATOM 703 CG2 THR A 49 1.128 -13.037 -0.210 1.00 0.00 C ATOM 0 H THR A 49 1.045 -12.156 2.288 1.00 0.00 H new ATOM 0 HA THR A 49 3.915 -12.268 1.684 1.00 0.00 H new ATOM 0 HB THR A 49 2.461 -14.181 1.004 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.210 -14.185 -1.216 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.866 -13.877 -0.853 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.388 -12.943 0.584 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.146 -12.121 -0.800 1.00 0.00 H new ATOM 711 N PRO A 50 4.026 -10.407 -0.020 1.00 0.00 N ATOM 712 CA PRO A 50 4.151 -9.184 -0.820 1.00 0.00 C ATOM 713 C PRO A 50 3.458 -9.303 -2.173 1.00 0.00 C ATOM 714 O PRO A 50 3.940 -9.996 -3.070 1.00 0.00 O ATOM 715 CB PRO A 50 5.663 -9.034 -1.005 1.00 0.00 C ATOM 716 CG PRO A 50 6.200 -10.417 -0.876 1.00 0.00 C ATOM 717 CD PRO A 50 5.310 -11.116 0.114 1.00 0.00 C ATOM 0 HA PRO A 50 3.680 -8.329 -0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.902 -8.606 -1.978 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.090 -8.372 -0.252 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.192 -10.930 -1.838 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.234 -10.404 -0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.209 -12.177 -0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.704 -11.046 1.128 1.00 0.00 H new ATOM 725 N LEU A 51 2.325 -8.624 -2.314 1.00 0.00 N ATOM 726 CA LEU A 51 1.565 -8.653 -3.559 1.00 0.00 C ATOM 727 C LEU A 51 2.103 -7.625 -4.549 1.00 0.00 C ATOM 728 O LEU A 51 1.461 -7.323 -5.555 1.00 0.00 O ATOM 729 CB LEU A 51 0.085 -8.386 -3.282 1.00 0.00 C ATOM 730 CG LEU A 51 -0.517 -9.116 -2.081 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.624 -8.286 -1.450 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.043 -10.483 -2.496 1.00 0.00 C ATOM 0 H LEU A 51 1.912 -8.047 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 51 1.673 -9.644 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.048 -7.314 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.485 -8.659 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 51 0.268 -9.261 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.040 -8.822 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.217 -7.332 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.409 -8.108 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.468 -10.988 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.813 -10.361 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.225 -11.080 -2.899 1.00 0.00 H new ATOM 744 N ALA A 52 3.285 -7.093 -4.258 1.00 0.00 N ATOM 745 CA ALA A 52 3.911 -6.102 -5.124 1.00 0.00 C ATOM 746 C ALA A 52 3.821 -6.519 -6.589 1.00 0.00 C ATOM 747 O ALA A 52 4.622 -7.322 -7.066 1.00 0.00 O ATOM 748 CB ALA A 52 5.363 -5.892 -4.722 1.00 0.00 C ATOM 0 H ALA A 52 3.829 -7.332 -3.429 1.00 0.00 H new ATOM 0 HA ALA A 52 3.373 -5.161 -5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.818 -5.149 -5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.408 -5.542 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.905 -6.834 -4.810 1.00 0.00 H new ATOM 754 N GLY A 53 2.840 -5.968 -7.297 1.00 0.00 N ATOM 755 CA GLY A 53 2.663 -6.295 -8.700 1.00 0.00 C ATOM 756 C GLY A 53 2.177 -7.716 -8.906 1.00 0.00 C ATOM 757 O GLY A 53 2.574 -8.381 -9.863 1.00 0.00 O ATOM 0 H GLY A 53 2.165 -5.301 -6.924 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.949 -5.602 -9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.609 -6.158 -9.224 1.00 0.00 H new ATOM 761 N GLN A 54 1.317 -8.183 -8.006 1.00 0.00 N ATOM 762 CA GLN A 54 0.779 -9.535 -8.094 1.00 0.00 C ATOM 763 C GLN A 54 -0.744 -9.510 -8.172 1.00 0.00 C ATOM 764 O GLN A 54 -1.383 -8.564 -7.712 1.00 0.00 O ATOM 765 CB GLN A 54 1.226 -10.364 -6.889 1.00 0.00 C ATOM 766 CG GLN A 54 0.516 -11.703 -6.774 1.00 0.00 C ATOM 767 CD GLN A 54 1.325 -12.729 -6.006 1.00 0.00 C ATOM 768 OE1 GLN A 54 2.119 -13.471 -6.585 1.00 0.00 O ATOM 769 NE2 GLN A 54 1.129 -12.776 -4.693 1.00 0.00 N ATOM 0 H GLN A 54 0.978 -7.645 -7.208 1.00 0.00 H new ATOM 0 HA GLN A 54 1.164 -9.994 -9.005 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.300 -10.536 -6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.051 -9.790 -5.979 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.445 -11.559 -6.279 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.306 -12.085 -7.773 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.461 -12.142 -4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.646 -13.446 -4.124 1.00 0.00 H new ATOM 778 N GLN A 55 -1.319 -10.556 -8.758 1.00 0.00 N ATOM 779 CA GLN A 55 -2.767 -10.653 -8.897 1.00 0.00 C ATOM 780 C GLN A 55 -3.417 -11.030 -7.570 1.00 0.00 C ATOM 781 O GLN A 55 -3.224 -12.135 -7.064 1.00 0.00 O ATOM 782 CB GLN A 55 -3.130 -11.684 -9.967 1.00 0.00 C ATOM 783 CG GLN A 55 -4.626 -11.826 -10.192 1.00 0.00 C ATOM 784 CD GLN A 55 -5.313 -10.492 -10.412 1.00 0.00 C ATOM 785 OE1 GLN A 55 -6.104 -10.044 -9.582 1.00 0.00 O ATOM 786 NE2 GLN A 55 -5.013 -9.850 -11.535 1.00 0.00 N ATOM 0 H GLN A 55 -0.804 -11.348 -9.144 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.144 -9.676 -9.201 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.655 -11.403 -10.907 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.721 -12.653 -9.680 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.800 -12.467 -11.056 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.073 -12.323 -9.331 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.351 -10.259 -12.195 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.444 -8.948 -11.738 1.00 0.00 H new ATOM 795 N PHE A 56 -4.189 -10.104 -7.011 1.00 0.00 N ATOM 796 CA PHE A 56 -4.867 -10.338 -5.741 1.00 0.00 C ATOM 797 C PHE A 56 -6.187 -9.576 -5.681 1.00 0.00 C ATOM 798 O PHE A 56 -6.560 -8.879 -6.626 1.00 0.00 O ATOM 799 CB PHE A 56 -3.970 -9.919 -4.575 1.00 0.00 C ATOM 800 CG PHE A 56 -3.736 -8.437 -4.500 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.647 -7.610 -3.864 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.605 -7.871 -5.066 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.435 -6.246 -3.795 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.387 -6.508 -5.000 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.303 -5.694 -4.362 1.00 0.00 C ATOM 0 H PHE A 56 -4.361 -9.184 -7.417 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.079 -11.404 -5.662 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.421 -10.255 -3.641 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.009 -10.426 -4.666 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.533 -8.036 -3.417 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.885 -8.503 -5.565 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.154 -5.612 -3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.502 -6.080 -5.447 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.134 -4.629 -4.307 1.00 0.00 H new ATOM 815 N THR A 57 -6.893 -9.714 -4.563 1.00 0.00 N ATOM 816 CA THR A 57 -8.173 -9.041 -4.379 1.00 0.00 C ATOM 817 C THR A 57 -8.307 -8.493 -2.963 1.00 0.00 C ATOM 818 O THR A 57 -7.691 -9.005 -2.028 1.00 0.00 O ATOM 819 CB THR A 57 -9.352 -9.990 -4.663 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.593 -9.299 -4.479 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.302 -11.205 -3.749 1.00 0.00 C ATOM 0 H THR A 57 -6.600 -10.286 -3.771 1.00 0.00 H new ATOM 0 HA THR A 57 -8.201 -8.215 -5.090 1.00 0.00 H new ATOM 0 HB THR A 57 -9.275 -10.329 -5.696 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.338 -9.909 -4.663 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.145 -11.860 -3.969 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.370 -11.745 -3.913 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.356 -10.881 -2.710 1.00 0.00 H new ATOM 829 N SER A 58 -9.116 -7.449 -2.812 1.00 0.00 N ATOM 830 CA SER A 58 -9.328 -6.829 -1.509 1.00 0.00 C ATOM 831 C SER A 58 -10.685 -7.225 -0.934 1.00 0.00 C ATOM 832 O SER A 58 -11.678 -7.309 -1.657 1.00 0.00 O ATOM 833 CB SER A 58 -9.235 -5.306 -1.624 1.00 0.00 C ATOM 834 OG SER A 58 -8.092 -4.920 -2.367 1.00 0.00 O ATOM 0 H SER A 58 -9.635 -7.015 -3.575 1.00 0.00 H new ATOM 0 HA SER A 58 -8.549 -7.183 -0.834 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.133 -4.919 -2.105 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.191 -4.865 -0.628 1.00 0.00 H new ATOM 0 HG SER A 58 -7.585 -4.251 -1.862 1.00 0.00 H new ATOM 840 N ARG A 59 -10.718 -7.467 0.373 1.00 0.00 N ATOM 841 CA ARG A 59 -11.952 -7.855 1.046 1.00 0.00 C ATOM 842 C ARG A 59 -12.079 -7.154 2.395 1.00 0.00 C ATOM 843 O ARG A 59 -11.123 -7.098 3.169 1.00 0.00 O ATOM 844 CB ARG A 59 -11.995 -9.372 1.242 1.00 0.00 C ATOM 845 CG ARG A 59 -13.394 -9.916 1.480 1.00 0.00 C ATOM 846 CD ARG A 59 -14.081 -10.279 0.173 1.00 0.00 C ATOM 847 NE ARG A 59 -14.832 -9.155 -0.381 1.00 0.00 N ATOM 848 CZ ARG A 59 -15.935 -8.664 0.173 1.00 0.00 C ATOM 849 NH1 ARG A 59 -16.412 -9.194 1.290 1.00 0.00 N ATOM 850 NH2 ARG A 59 -16.562 -7.640 -0.391 1.00 0.00 N ATOM 0 H ARG A 59 -9.905 -7.401 0.986 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.790 -7.552 0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.571 -9.856 0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.362 -9.639 2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.339 -10.797 2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.989 -9.173 2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.334 -10.608 -0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.755 -11.119 0.339 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.491 -8.724 -1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.932 -9.981 1.727 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.259 -8.815 1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.197 -7.229 -1.250 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.409 -7.263 0.035 1.00 0.00 H new ATOM 864 N ASP A 60 -13.264 -6.620 2.669 1.00 0.00 N ATOM 865 CA ASP A 60 -13.516 -5.922 3.924 1.00 0.00 C ATOM 866 C ASP A 60 -12.424 -4.894 4.204 1.00 0.00 C ATOM 867 O ASP A 60 -11.990 -4.731 5.344 1.00 0.00 O ATOM 868 CB ASP A 60 -13.602 -6.920 5.079 1.00 0.00 C ATOM 869 CG ASP A 60 -14.879 -7.738 5.045 1.00 0.00 C ATOM 870 OD1 ASP A 60 -14.926 -8.731 4.291 1.00 0.00 O ATOM 871 OD2 ASP A 60 -15.831 -7.383 5.771 1.00 0.00 O ATOM 0 H ASP A 60 -14.065 -6.657 2.039 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.468 -5.399 3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.744 -7.591 5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.544 -6.382 6.025 1.00 0.00 H new ATOM 876 N GLU A 61 -11.984 -4.205 3.156 1.00 0.00 N ATOM 877 CA GLU A 61 -10.941 -3.195 3.289 1.00 0.00 C ATOM 878 C GLU A 61 -9.622 -3.829 3.720 1.00 0.00 C ATOM 879 O GLU A 61 -8.951 -3.337 4.628 1.00 0.00 O ATOM 880 CB GLU A 61 -11.361 -2.127 4.302 1.00 0.00 C ATOM 881 CG GLU A 61 -12.703 -1.486 3.989 1.00 0.00 C ATOM 882 CD GLU A 61 -12.799 -0.059 4.492 1.00 0.00 C ATOM 883 OE1 GLU A 61 -12.084 0.279 5.459 1.00 0.00 O ATOM 884 OE2 GLU A 61 -13.588 0.720 3.918 1.00 0.00 O ATOM 0 H GLU A 61 -12.334 -4.328 2.206 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.798 -2.726 2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.405 -2.576 5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.596 -1.351 4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.865 -1.499 2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.499 -2.080 4.438 1.00 0.00 H new ATOM 891 N ASP A 62 -9.256 -4.924 3.063 1.00 0.00 N ATOM 892 CA ASP A 62 -8.017 -5.626 3.377 1.00 0.00 C ATOM 893 C ASP A 62 -7.520 -6.416 2.170 1.00 0.00 C ATOM 894 O ASP A 62 -8.245 -7.215 1.578 1.00 0.00 O ATOM 895 CB ASP A 62 -8.225 -6.565 4.566 1.00 0.00 C ATOM 896 CG ASP A 62 -8.141 -5.842 5.896 1.00 0.00 C ATOM 897 OD1 ASP A 62 -9.167 -5.282 6.333 1.00 0.00 O ATOM 898 OD2 ASP A 62 -7.047 -5.836 6.500 1.00 0.00 O ATOM 0 H ASP A 62 -9.800 -5.345 2.310 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.263 -4.883 3.638 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.199 -7.047 4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.475 -7.355 4.537 1.00 0.00 H new ATOM 903 N PRO A 63 -6.252 -6.188 1.795 1.00 0.00 N ATOM 904 CA PRO A 63 -5.630 -6.868 0.655 1.00 0.00 C ATOM 905 C PRO A 63 -5.386 -8.348 0.926 1.00 0.00 C ATOM 906 O PRO A 63 -4.564 -8.708 1.769 1.00 0.00 O ATOM 907 CB PRO A 63 -4.300 -6.129 0.485 1.00 0.00 C ATOM 908 CG PRO A 63 -3.999 -5.575 1.834 1.00 0.00 C ATOM 909 CD PRO A 63 -5.330 -5.248 2.454 1.00 0.00 C ATOM 0 HA PRO A 63 -6.264 -6.842 -0.231 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.512 -6.804 0.149 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.380 -5.337 -0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.453 -6.298 2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.374 -4.685 1.760 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.316 -5.390 3.535 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.615 -4.212 2.272 1.00 0.00 H new ATOM 917 N TYR A 64 -6.105 -9.203 0.206 1.00 0.00 N ATOM 918 CA TYR A 64 -5.967 -10.645 0.371 1.00 0.00 C ATOM 919 C TYR A 64 -5.508 -11.300 -0.928 1.00 0.00 C ATOM 920 O TYR A 64 -6.091 -11.078 -1.990 1.00 0.00 O ATOM 921 CB TYR A 64 -7.295 -11.256 0.822 1.00 0.00 C ATOM 922 CG TYR A 64 -7.564 -11.094 2.301 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.932 -11.904 3.236 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.451 -10.129 2.764 1.00 0.00 C ATOM 925 CE1 TYR A 64 -7.176 -11.760 4.588 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.700 -9.977 4.114 1.00 0.00 C ATOM 927 CZ TYR A 64 -8.061 -10.795 5.022 1.00 0.00 C ATOM 928 OH TYR A 64 -8.305 -10.647 6.368 1.00 0.00 O ATOM 0 H TYR A 64 -6.789 -8.922 -0.497 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.212 -10.828 1.135 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.107 -10.794 0.261 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.300 -12.317 0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.238 -12.660 2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.954 -9.487 2.056 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.677 -12.399 5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.391 -9.222 4.457 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.951 -9.923 6.506 1.00 0.00 H new ATOM 938 N CYS A 65 -4.459 -12.110 -0.836 1.00 0.00 N ATOM 939 CA CYS A 65 -3.919 -12.799 -2.001 1.00 0.00 C ATOM 940 C CYS A 65 -4.846 -13.928 -2.443 1.00 0.00 C ATOM 941 O CYS A 65 -5.606 -14.472 -1.642 1.00 0.00 O ATOM 942 CB CYS A 65 -2.529 -13.358 -1.692 1.00 0.00 C ATOM 943 SG CYS A 65 -2.546 -15.001 -0.904 1.00 0.00 S ATOM 0 H CYS A 65 -3.965 -12.305 0.035 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.840 -12.077 -2.814 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.959 -13.417 -2.619 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.005 -12.659 -1.040 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.766 -14.992 0.136 1.00 0.00 H new ATOM 948 N VAL A 66 -4.777 -14.276 -3.724 1.00 0.00 N ATOM 949 CA VAL A 66 -5.609 -15.341 -4.273 1.00 0.00 C ATOM 950 C VAL A 66 -5.539 -16.594 -3.408 1.00 0.00 C ATOM 951 O VAL A 66 -6.522 -17.322 -3.270 1.00 0.00 O ATOM 952 CB VAL A 66 -5.186 -15.698 -5.711 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.085 -16.787 -6.277 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.210 -14.462 -6.596 1.00 0.00 C ATOM 0 H VAL A 66 -4.154 -13.836 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.633 -14.969 -4.285 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.165 -16.079 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.771 -17.026 -7.293 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.012 -17.679 -5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.117 -16.437 -6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.908 -14.733 -7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.218 -14.049 -6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.520 -13.717 -6.199 1.00 0.00 H new ATOM 964 N ALA A 67 -4.369 -16.840 -2.826 1.00 0.00 N ATOM 965 CA ALA A 67 -4.171 -18.004 -1.971 1.00 0.00 C ATOM 966 C ALA A 67 -5.069 -17.941 -0.740 1.00 0.00 C ATOM 967 O ALA A 67 -5.591 -18.960 -0.287 1.00 0.00 O ATOM 968 CB ALA A 67 -2.711 -18.112 -1.557 1.00 0.00 C ATOM 0 H ALA A 67 -3.545 -16.249 -2.931 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.443 -18.893 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.577 -18.986 -0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.087 -18.213 -2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.421 -17.215 -1.010 1.00 0.00 H new ATOM 974 N CYS A 68 -5.245 -16.738 -0.203 1.00 0.00 N ATOM 975 CA CYS A 68 -6.079 -16.541 0.976 1.00 0.00 C ATOM 976 C CYS A 68 -7.544 -16.371 0.584 1.00 0.00 C ATOM 977 O CYS A 68 -8.423 -17.049 1.116 1.00 0.00 O ATOM 978 CB CYS A 68 -5.605 -15.318 1.763 1.00 0.00 C ATOM 979 SG CYS A 68 -4.097 -15.604 2.744 1.00 0.00 S ATOM 0 H CYS A 68 -4.821 -15.885 -0.566 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.990 -17.427 1.605 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.423 -14.499 1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.404 -14.997 2.431 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.477 -14.476 2.926 1.00 0.00 H new ATOM 984 N PHE A 69 -7.799 -15.461 -0.350 1.00 0.00 N ATOM 985 CA PHE A 69 -9.157 -15.201 -0.813 1.00 0.00 C ATOM 986 C PHE A 69 -9.904 -16.507 -1.071 1.00 0.00 C ATOM 987 O PHE A 69 -11.038 -16.683 -0.630 1.00 0.00 O ATOM 988 CB PHE A 69 -9.130 -14.356 -2.088 1.00 0.00 C ATOM 989 CG PHE A 69 -10.482 -14.177 -2.718 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.390 -13.269 -2.196 1.00 0.00 C ATOM 991 CD2 PHE A 69 -10.846 -14.918 -3.831 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.635 -13.102 -2.773 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.089 -14.755 -4.412 1.00 0.00 C ATOM 994 CZ PHE A 69 -12.985 -13.847 -3.882 1.00 0.00 C ATOM 0 H PHE A 69 -7.083 -14.891 -0.801 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.682 -14.651 -0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.714 -13.376 -1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.461 -14.824 -2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.122 -12.685 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.150 -15.631 -4.249 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.333 -12.390 -2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.360 -15.337 -5.280 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.958 -13.720 -4.334 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.257 -17.420 -1.789 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.874 -18.697 -2.094 1.00 0.00 C ATOM 1006 C GLY A 70 -9.551 -19.758 -1.061 1.00 0.00 C ATOM 1007 O GLY A 70 -9.518 -20.948 -1.375 1.00 0.00 O ATOM 0 H GLY A 70 -8.317 -17.298 -2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.955 -18.570 -2.154 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.538 -19.035 -3.074 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.312 -19.327 0.173 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.987 -20.250 1.255 1.00 0.00 C ATOM 1013 C GLU A 71 -9.771 -19.905 2.518 1.00 0.00 C ATOM 1014 O GLU A 71 -10.287 -20.789 3.203 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.486 -20.219 1.548 1.00 0.00 C ATOM 1016 CG GLU A 71 -7.099 -20.958 2.818 1.00 0.00 C ATOM 1017 CD GLU A 71 -7.084 -22.463 2.635 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -6.585 -22.930 1.590 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -7.573 -23.175 3.538 1.00 0.00 O ATOM 0 H GLU A 71 -9.337 -18.345 0.449 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.267 -21.255 0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.951 -20.657 0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.161 -19.182 1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.113 -20.625 3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.799 -20.699 3.612 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.856 -18.614 2.820 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.576 -18.150 4.001 1.00 0.00 C ATOM 1028 C LEU A 72 -12.073 -18.055 3.723 1.00 0.00 C ATOM 1029 O LEU A 72 -12.877 -18.742 4.354 1.00 0.00 O ATOM 1030 CB LEU A 72 -10.041 -16.788 4.447 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.696 -16.801 5.175 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.574 -17.171 4.217 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.426 -15.449 5.819 1.00 0.00 C ATOM 0 H LEU A 72 -9.435 -17.870 2.263 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.418 -18.874 4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.949 -16.150 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.781 -16.326 5.100 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.737 -17.554 5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.625 -17.175 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.761 -18.162 3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.531 -16.442 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.465 -15.476 6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.405 -14.677 5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.215 -15.224 6.537 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.440 -17.201 2.774 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.841 -17.017 2.412 1.00 0.00 C ATOM 1047 C PHE A 73 -14.376 -18.239 1.671 1.00 0.00 C ATOM 1048 O PHE A 73 -15.481 -18.707 1.941 1.00 0.00 O ATOM 1049 CB PHE A 73 -14.005 -15.768 1.543 1.00 0.00 C ATOM 1050 CG PHE A 73 -13.226 -14.585 2.042 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.526 -14.008 3.266 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -12.195 -14.050 1.288 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.811 -12.918 3.727 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -11.476 -12.960 1.744 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.785 -12.394 2.966 1.00 0.00 C ATOM 0 H PHE A 73 -11.788 -16.625 2.242 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.414 -16.891 3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.689 -15.999 0.526 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -15.061 -15.504 1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.327 -14.414 3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.949 -14.489 0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -13.055 -12.477 4.682 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.675 -12.552 1.146 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.225 -11.543 3.325 1.00 0.00 H new