USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 396 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 34 CYS SG : rot 149:sc= 1.03 USER MOD Set 1.2: A 37 CYS SG : rot -50:sc= 0.33 USER MOD Set 1.3: A 60 CYS SG : rot -133:sc= 0.515 USER MOD Set 1.4: A 63 CYS SG : rot 103:sc= 0.224 USER MOD Set 2.1: A 19 CYS SG : rot 149:sc= 0.633 USER MOD Set 2.2: A 22 CYS SG : rot -59:sc= 0.0609 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -2.89 X(o=-2.2,f=-2.6) USER MOD Set 2.4: A 45 CYS SG : rot 131:sc= 0.009 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0281 K(o=-0.028,f=-1.4) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= -0.0689 (180deg=-0.583) USER MOD Single : A 40 ASN : amide:sc= -2.98 X(o=-3,f=-3) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.112 USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 16 11.174 13.740 8.880 1.00 0.00 N ATOM 184 CA SER A 16 12.143 12.932 8.147 1.00 0.00 C ATOM 185 C SER A 16 11.567 11.558 7.820 1.00 0.00 C ATOM 186 O SER A 16 10.511 11.178 8.327 1.00 0.00 O ATOM 187 CB SER A 16 13.429 12.778 8.961 1.00 0.00 C ATOM 188 OG SER A 16 14.556 12.644 8.112 1.00 0.00 O ATOM 0 HA SER A 16 12.372 13.443 7.212 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.559 13.645 9.609 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.351 11.904 9.608 1.00 0.00 H new ATOM 0 HG SER A 16 15.366 12.549 8.656 1.00 0.00 H new ATOM 194 N TYR A 17 12.268 10.817 6.969 1.00 0.00 N ATOM 195 CA TYR A 17 11.827 9.486 6.571 1.00 0.00 C ATOM 196 C TYR A 17 12.766 8.414 7.116 1.00 0.00 C ATOM 197 O TYR A 17 13.915 8.305 6.687 1.00 0.00 O ATOM 198 CB TYR A 17 11.751 9.385 5.046 1.00 0.00 C ATOM 199 CG TYR A 17 11.086 10.576 4.393 1.00 0.00 C ATOM 200 CD1 TYR A 17 9.931 11.132 4.929 1.00 0.00 C ATOM 201 CD2 TYR A 17 11.613 11.145 3.241 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.320 12.220 4.336 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.009 12.234 2.641 1.00 0.00 C ATOM 204 CZ TYR A 17 9.863 12.767 3.192 1.00 0.00 C ATOM 205 OH TYR A 17 9.258 13.851 2.598 1.00 0.00 O ATOM 0 H TYR A 17 13.144 11.116 6.541 1.00 0.00 H new ATOM 0 HA TYR A 17 10.834 9.321 6.990 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.760 9.278 4.647 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.204 8.481 4.777 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.503 10.706 5.825 1.00 0.00 H new ATOM 0 HD2 TYR A 17 12.510 10.730 2.806 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.422 12.640 4.766 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.432 12.665 1.746 1.00 0.00 H new ATOM 0 HH TYR A 17 9.767 14.115 1.803 1.00 0.00 H new ATOM 215 N ILE A 18 12.268 7.627 8.063 1.00 0.00 N ATOM 216 CA ILE A 18 13.061 6.563 8.666 1.00 0.00 C ATOM 217 C ILE A 18 12.543 5.189 8.254 1.00 0.00 C ATOM 218 O ILE A 18 11.337 4.940 8.263 1.00 0.00 O ATOM 219 CB ILE A 18 13.058 6.660 10.203 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.343 8.097 10.645 1.00 0.00 C ATOM 221 CG2 ILE A 18 14.082 5.705 10.797 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.664 8.634 10.141 1.00 0.00 C ATOM 0 H ILE A 18 11.319 7.706 8.429 1.00 0.00 H new ATOM 0 HA ILE A 18 14.082 6.687 8.304 1.00 0.00 H new ATOM 0 HB ILE A 18 12.071 6.376 10.568 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.539 8.743 10.292 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.334 8.142 11.734 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.067 5.786 11.884 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.838 4.683 10.506 1.00 0.00 H new ATOM 0 HG23 ILE A 18 15.075 5.961 10.428 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.799 9.657 10.493 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.477 8.011 10.515 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.670 8.622 9.051 1.00 0.00 H new ATOM 234 N CYS A 19 13.462 4.299 7.894 1.00 0.00 N ATOM 235 CA CYS A 19 13.099 2.950 7.479 1.00 0.00 C ATOM 236 C CYS A 19 12.194 2.288 8.515 1.00 0.00 C ATOM 237 O CYS A 19 12.287 2.574 9.708 1.00 0.00 O ATOM 238 CB CYS A 19 14.356 2.103 7.269 1.00 0.00 C ATOM 239 SG CYS A 19 14.055 0.529 6.403 1.00 0.00 S ATOM 0 H CYS A 19 14.464 4.488 7.882 1.00 0.00 H new ATOM 0 HA CYS A 19 12.554 3.020 6.537 1.00 0.00 H new ATOM 0 HB2 CYS A 19 15.083 2.685 6.701 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.805 1.891 8.239 1.00 0.00 H new ATOM 0 HG CYS A 19 15.101 0.214 5.699 1.00 0.00 H new ATOM 244 N GLN A 20 11.319 1.402 8.048 1.00 0.00 N ATOM 245 CA GLN A 20 10.398 0.700 8.933 1.00 0.00 C ATOM 246 C GLN A 20 10.887 -0.717 9.215 1.00 0.00 C ATOM 247 O GLN A 20 10.109 -1.587 9.607 1.00 0.00 O ATOM 248 CB GLN A 20 8.999 0.656 8.317 1.00 0.00 C ATOM 249 CG GLN A 20 8.109 1.812 8.745 1.00 0.00 C ATOM 250 CD GLN A 20 7.598 1.660 10.164 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.724 0.596 10.771 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.018 2.727 10.702 1.00 0.00 N ATOM 0 H GLN A 20 11.229 1.154 7.063 1.00 0.00 H new ATOM 0 HA GLN A 20 10.355 1.244 9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.089 0.661 7.231 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.519 -0.283 8.593 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.666 2.745 8.661 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.262 1.885 8.063 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.935 3.589 10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.656 2.685 11.655 1.00 0.00 H new ATOM 261 N VAL A 21 12.181 -0.943 9.012 1.00 0.00 N ATOM 262 CA VAL A 21 12.775 -2.254 9.245 1.00 0.00 C ATOM 263 C VAL A 21 14.046 -2.142 10.078 1.00 0.00 C ATOM 264 O VAL A 21 14.280 -2.941 10.986 1.00 0.00 O ATOM 265 CB VAL A 21 13.104 -2.964 7.919 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.735 -4.323 8.183 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.852 -3.106 7.066 1.00 0.00 C ATOM 0 H VAL A 21 12.839 -0.234 8.686 1.00 0.00 H new ATOM 0 HA VAL A 21 12.038 -2.843 9.791 1.00 0.00 H new ATOM 0 HB VAL A 21 13.823 -2.356 7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.961 -4.810 7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.656 -4.192 8.752 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.041 -4.942 8.752 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.103 -3.610 6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.108 -3.692 7.606 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.447 -2.118 6.847 1.00 0.00 H new ATOM 277 N CYS A 22 14.866 -1.144 9.765 1.00 0.00 N ATOM 278 CA CYS A 22 16.116 -0.926 10.483 1.00 0.00 C ATOM 279 C CYS A 22 16.097 0.415 11.211 1.00 0.00 C ATOM 280 O CYS A 22 16.904 0.658 12.109 1.00 0.00 O ATOM 281 CB CYS A 22 17.300 -0.978 9.517 1.00 0.00 C ATOM 282 SG CYS A 22 17.272 0.317 8.236 1.00 0.00 S ATOM 0 H CYS A 22 14.687 -0.473 9.018 1.00 0.00 H new ATOM 0 HA CYS A 22 16.225 -1.720 11.222 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.225 -0.890 10.087 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.317 -1.954 9.032 1.00 0.00 H new ATOM 0 HG CYS A 22 16.183 0.210 7.534 1.00 0.00 H new ATOM 287 N SER A 23 15.171 1.283 10.817 1.00 0.00 N ATOM 288 CA SER A 23 15.049 2.601 11.429 1.00 0.00 C ATOM 289 C SER A 23 16.302 3.435 11.178 1.00 0.00 C ATOM 290 O SER A 23 17.011 3.806 12.113 1.00 0.00 O ATOM 291 CB SER A 23 14.804 2.468 12.933 1.00 0.00 C ATOM 292 OG SER A 23 14.430 3.712 13.501 1.00 0.00 O ATOM 0 H SER A 23 14.494 1.097 10.077 1.00 0.00 H new ATOM 0 HA SER A 23 14.199 3.108 10.973 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.020 1.732 13.113 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.706 2.099 13.420 1.00 0.00 H new ATOM 0 HG SER A 23 14.278 3.600 14.463 1.00 0.00 H new ATOM 298 N ARG A 24 16.568 3.724 9.908 1.00 0.00 N ATOM 299 CA ARG A 24 17.735 4.512 9.533 1.00 0.00 C ATOM 300 C ARG A 24 17.330 5.713 8.682 1.00 0.00 C ATOM 301 O ARG A 24 16.200 5.794 8.203 1.00 0.00 O ATOM 302 CB ARG A 24 18.737 3.646 8.768 1.00 0.00 C ATOM 303 CG ARG A 24 19.658 2.839 9.669 1.00 0.00 C ATOM 304 CD ARG A 24 20.688 3.726 10.349 1.00 0.00 C ATOM 305 NE ARG A 24 21.281 3.079 11.517 1.00 0.00 N ATOM 306 CZ ARG A 24 21.946 3.735 12.462 1.00 0.00 C ATOM 307 NH1 ARG A 24 22.102 5.049 12.377 1.00 0.00 N ATOM 308 NH2 ARG A 24 22.457 3.076 13.494 1.00 0.00 N ATOM 0 H ARG A 24 15.991 3.424 9.122 1.00 0.00 H new ATOM 0 HA ARG A 24 18.204 4.878 10.446 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.191 2.964 8.116 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.341 4.286 8.125 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.067 2.320 10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.166 2.074 9.081 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.474 3.981 9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.217 4.661 10.652 1.00 0.00 H new ATOM 0 HE ARG A 24 21.179 2.069 11.612 1.00 0.00 H new ATOM 0 HH11 ARG A 24 21.711 5.559 11.585 1.00 0.00 H new ATOM 0 HH12 ARG A 24 22.613 5.550 13.104 1.00 0.00 H new ATOM 0 HH21 ARG A 24 22.340 2.065 13.562 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.967 3.580 14.219 1.00 0.00 H new ATOM 322 N GLY A 25 18.262 6.644 8.500 1.00 0.00 N ATOM 323 CA GLY A 25 17.983 7.827 7.708 1.00 0.00 C ATOM 324 C GLY A 25 19.027 8.067 6.636 1.00 0.00 C ATOM 325 O GLY A 25 18.708 8.530 5.541 1.00 0.00 O ATOM 0 H GLY A 25 19.205 6.600 8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.004 7.725 7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.934 8.696 8.364 1.00 0.00 H new ATOM 329 N ASP A 26 20.279 7.753 6.951 1.00 0.00 N ATOM 330 CA ASP A 26 21.375 7.938 6.006 1.00 0.00 C ATOM 331 C ASP A 26 21.141 7.124 4.737 1.00 0.00 C ATOM 332 O ASP A 26 21.695 7.430 3.682 1.00 0.00 O ATOM 333 CB ASP A 26 22.703 7.534 6.648 1.00 0.00 C ATOM 334 CG ASP A 26 23.505 8.731 7.120 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.963 9.514 6.261 1.00 0.00 O ATOM 336 OD2 ASP A 26 23.675 8.885 8.347 1.00 0.00 O ATOM 0 H ASP A 26 20.560 7.369 7.853 1.00 0.00 H new ATOM 0 HA ASP A 26 21.416 8.993 5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.509 6.874 7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.293 6.966 5.929 1.00 0.00 H new ATOM 341 N GLU A 27 20.317 6.086 4.849 1.00 0.00 N ATOM 342 CA GLU A 27 20.013 5.228 3.710 1.00 0.00 C ATOM 343 C GLU A 27 18.820 5.767 2.926 1.00 0.00 C ATOM 344 O GLU A 27 18.408 5.184 1.923 1.00 0.00 O ATOM 345 CB GLU A 27 19.724 3.801 4.181 1.00 0.00 C ATOM 346 CG GLU A 27 20.974 2.959 4.373 1.00 0.00 C ATOM 347 CD GLU A 27 21.755 2.773 3.087 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.122 2.698 2.013 1.00 0.00 O ATOM 349 OE2 GLU A 27 23.001 2.704 3.154 1.00 0.00 O ATOM 0 H GLU A 27 19.849 5.820 5.715 1.00 0.00 H new ATOM 0 HA GLU A 27 20.883 5.218 3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.176 3.842 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.075 3.312 3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.615 3.431 5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.693 1.983 4.767 1.00 0.00 H new ATOM 356 N ASP A 28 18.269 6.883 3.391 1.00 0.00 N ATOM 357 CA ASP A 28 17.124 7.502 2.734 1.00 0.00 C ATOM 358 C ASP A 28 17.379 7.667 1.239 1.00 0.00 C ATOM 359 O ASP A 28 16.444 7.681 0.438 1.00 0.00 O ATOM 360 CB ASP A 28 16.821 8.862 3.366 1.00 0.00 C ATOM 361 CG ASP A 28 17.919 9.875 3.113 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.105 9.488 3.157 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.593 11.057 2.873 1.00 0.00 O ATOM 0 H ASP A 28 18.597 7.377 4.221 1.00 0.00 H new ATOM 0 HA ASP A 28 16.262 6.848 2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.880 9.243 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.686 8.738 4.440 1.00 0.00 H new ATOM 368 N ASP A 29 18.649 7.793 0.871 1.00 0.00 N ATOM 369 CA ASP A 29 19.027 7.958 -0.527 1.00 0.00 C ATOM 370 C ASP A 29 18.387 6.877 -1.394 1.00 0.00 C ATOM 371 O ASP A 29 18.120 7.092 -2.576 1.00 0.00 O ATOM 372 CB ASP A 29 20.548 7.913 -0.675 1.00 0.00 C ATOM 373 CG ASP A 29 21.173 9.295 -0.658 1.00 0.00 C ATOM 374 OD1 ASP A 29 20.761 10.122 0.183 1.00 0.00 O ATOM 375 OD2 ASP A 29 22.073 9.549 -1.484 1.00 0.00 O ATOM 0 H ASP A 29 19.434 7.784 1.522 1.00 0.00 H new ATOM 0 HA ASP A 29 18.666 8.930 -0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.971 7.316 0.133 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.805 7.413 -1.609 1.00 0.00 H new ATOM 380 N LYS A 30 18.145 5.715 -0.798 1.00 0.00 N ATOM 381 CA LYS A 30 17.537 4.599 -1.513 1.00 0.00 C ATOM 382 C LYS A 30 16.275 4.121 -0.804 1.00 0.00 C ATOM 383 O LYS A 30 15.944 2.935 -0.835 1.00 0.00 O ATOM 384 CB LYS A 30 18.533 3.444 -1.640 1.00 0.00 C ATOM 385 CG LYS A 30 19.571 3.652 -2.729 1.00 0.00 C ATOM 386 CD LYS A 30 20.555 2.495 -2.789 1.00 0.00 C ATOM 387 CE LYS A 30 20.737 1.992 -4.213 1.00 0.00 C ATOM 388 NZ LYS A 30 21.054 3.099 -5.157 1.00 0.00 N ATOM 0 H LYS A 30 18.361 5.521 0.180 1.00 0.00 H new ATOM 0 HA LYS A 30 17.263 4.945 -2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.042 3.308 -0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.985 2.524 -1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.073 3.758 -3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.111 4.581 -2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.518 2.813 -2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.200 1.681 -2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.538 1.253 -4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.828 1.487 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.615 2.729 -5.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.170 3.510 -5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.599 3.833 -4.661 1.00 0.00 H new ATOM 402 N LEU A 31 15.572 5.051 -0.165 1.00 0.00 N ATOM 403 CA LEU A 31 14.344 4.724 0.551 1.00 0.00 C ATOM 404 C LEU A 31 13.145 4.731 -0.392 1.00 0.00 C ATOM 405 O LEU A 31 13.065 5.554 -1.305 1.00 0.00 O ATOM 406 CB LEU A 31 14.117 5.717 1.692 1.00 0.00 C ATOM 407 CG LEU A 31 14.312 5.171 3.107 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.084 6.266 4.138 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.378 3.996 3.358 1.00 0.00 C ATOM 0 H LEU A 31 15.832 6.037 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 31 14.450 3.721 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.794 6.560 1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.102 6.106 1.611 1.00 0.00 H new ATOM 0 HG LEU A 31 15.339 4.820 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.227 5.859 5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.794 7.076 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.068 6.649 4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.530 3.620 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.344 4.322 3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.590 3.203 2.640 1.00 0.00 H new ATOM 421 N LEU A 32 12.215 3.811 -0.164 1.00 0.00 N ATOM 422 CA LEU A 32 11.017 3.713 -0.991 1.00 0.00 C ATOM 423 C LEU A 32 9.804 4.283 -0.264 1.00 0.00 C ATOM 424 O LEU A 32 9.724 4.235 0.964 1.00 0.00 O ATOM 425 CB LEU A 32 10.757 2.255 -1.375 1.00 0.00 C ATOM 426 CG LEU A 32 11.565 1.718 -2.557 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.997 1.428 -2.137 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.910 0.467 -3.125 1.00 0.00 C ATOM 0 H LEU A 32 12.267 3.122 0.586 1.00 0.00 H new ATOM 0 HA LEU A 32 11.182 4.298 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.962 1.629 -0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.697 2.144 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 32 11.584 2.480 -3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.557 1.047 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.464 2.345 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.999 0.684 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.498 0.098 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.860 -0.300 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.902 0.706 -3.465 1.00 0.00 H new ATOM 440 N PHE A 33 8.861 4.822 -1.030 1.00 0.00 N ATOM 441 CA PHE A 33 7.650 5.401 -0.459 1.00 0.00 C ATOM 442 C PHE A 33 6.419 4.596 -0.864 1.00 0.00 C ATOM 443 O PHE A 33 6.232 4.275 -2.038 1.00 0.00 O ATOM 444 CB PHE A 33 7.494 6.855 -0.908 1.00 0.00 C ATOM 445 CG PHE A 33 8.757 7.659 -0.786 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.379 7.816 0.442 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.323 8.257 -1.901 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.541 8.555 0.557 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.486 8.996 -1.792 1.00 0.00 C ATOM 450 CZ PHE A 33 11.095 9.147 -0.561 1.00 0.00 C ATOM 0 H PHE A 33 8.912 4.870 -2.048 1.00 0.00 H new ATOM 0 HA PHE A 33 7.740 5.371 0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.160 6.873 -1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.713 7.329 -0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.951 7.355 1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.850 8.144 -2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.016 8.670 1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.918 9.455 -2.669 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.002 9.727 -0.473 1.00 0.00 H new ATOM 460 N CYS A 34 5.581 4.273 0.115 1.00 0.00 N ATOM 461 CA CYS A 34 4.368 3.506 -0.137 1.00 0.00 C ATOM 462 C CYS A 34 3.210 4.426 -0.512 1.00 0.00 C ATOM 463 O CYS A 34 3.033 5.491 0.080 1.00 0.00 O ATOM 464 CB CYS A 34 3.997 2.678 1.095 1.00 0.00 C ATOM 465 SG CYS A 34 2.368 1.870 0.986 1.00 0.00 S ATOM 0 H CYS A 34 5.720 4.531 1.092 1.00 0.00 H new ATOM 0 HA CYS A 34 4.561 2.834 -0.973 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.760 1.915 1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.012 3.325 1.972 1.00 0.00 H new ATOM 0 HG CYS A 34 2.389 0.759 1.660 1.00 0.00 H new ATOM 470 N ASP A 35 2.426 4.008 -1.499 1.00 0.00 N ATOM 471 CA ASP A 35 1.284 4.794 -1.953 1.00 0.00 C ATOM 472 C ASP A 35 0.018 4.398 -1.200 1.00 0.00 C ATOM 473 O ASP A 35 -1.039 4.206 -1.799 1.00 0.00 O ATOM 474 CB ASP A 35 1.076 4.609 -3.457 1.00 0.00 C ATOM 475 CG ASP A 35 0.019 5.542 -4.015 1.00 0.00 C ATOM 476 OD1 ASP A 35 0.033 6.737 -3.652 1.00 0.00 O ATOM 477 OD2 ASP A 35 -0.821 5.077 -4.813 1.00 0.00 O ATOM 0 H ASP A 35 2.560 3.130 -2.000 1.00 0.00 H new ATOM 0 HA ASP A 35 1.493 5.844 -1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.019 4.782 -3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.787 3.577 -3.657 1.00 0.00 H new ATOM 482 N GLY A 36 0.134 4.276 0.119 1.00 0.00 N ATOM 483 CA GLY A 36 -1.008 3.902 0.933 1.00 0.00 C ATOM 484 C GLY A 36 -0.851 4.321 2.381 1.00 0.00 C ATOM 485 O GLY A 36 -1.810 4.758 3.017 1.00 0.00 O ATOM 0 H GLY A 36 0.998 4.429 0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.908 4.358 0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.147 2.822 0.884 1.00 0.00 H new ATOM 489 N CYS A 37 0.363 4.187 2.905 1.00 0.00 N ATOM 490 CA CYS A 37 0.644 4.553 4.288 1.00 0.00 C ATOM 491 C CYS A 37 1.808 5.536 4.365 1.00 0.00 C ATOM 492 O CYS A 37 2.176 5.996 5.446 1.00 0.00 O ATOM 493 CB CYS A 37 0.961 3.304 5.114 1.00 0.00 C ATOM 494 SG CYS A 37 2.468 2.427 4.587 1.00 0.00 S ATOM 0 H CYS A 37 1.168 3.827 2.392 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.244 5.036 4.697 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.067 3.591 6.160 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.115 2.619 5.056 1.00 0.00 H new ATOM 0 HG CYS A 37 2.428 2.229 3.303 1.00 0.00 H new ATOM 499 N ASP A 38 2.384 5.854 3.211 1.00 0.00 N ATOM 500 CA ASP A 38 3.506 6.783 3.146 1.00 0.00 C ATOM 501 C ASP A 38 4.606 6.376 4.121 1.00 0.00 C ATOM 502 O ASP A 38 5.014 7.162 4.976 1.00 0.00 O ATOM 503 CB ASP A 38 3.036 8.206 3.454 1.00 0.00 C ATOM 504 CG ASP A 38 4.015 9.257 2.969 1.00 0.00 C ATOM 505 OD1 ASP A 38 4.936 8.902 2.204 1.00 0.00 O ATOM 506 OD2 ASP A 38 3.860 10.434 3.354 1.00 0.00 O ATOM 0 H ASP A 38 2.092 5.482 2.307 1.00 0.00 H new ATOM 0 HA ASP A 38 3.912 6.753 2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.066 8.374 2.987 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.895 8.314 4.529 1.00 0.00 H new ATOM 511 N ASP A 39 5.081 5.142 3.988 1.00 0.00 N ATOM 512 CA ASP A 39 6.134 4.630 4.857 1.00 0.00 C ATOM 513 C ASP A 39 7.486 4.665 4.151 1.00 0.00 C ATOM 514 O ASP A 39 7.586 5.092 3.002 1.00 0.00 O ATOM 515 CB ASP A 39 5.811 3.201 5.297 1.00 0.00 C ATOM 516 CG ASP A 39 4.996 3.159 6.575 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.382 4.190 6.921 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.972 2.095 7.228 1.00 0.00 O ATOM 0 H ASP A 39 4.753 4.478 3.287 1.00 0.00 H new ATOM 0 HA ASP A 39 6.188 5.270 5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.262 2.695 4.503 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.740 2.650 5.444 1.00 0.00 H new ATOM 523 N ASN A 40 8.523 4.213 4.849 1.00 0.00 N ATOM 524 CA ASN A 40 9.870 4.195 4.289 1.00 0.00 C ATOM 525 C ASN A 40 10.482 2.801 4.391 1.00 0.00 C ATOM 526 O ASN A 40 10.600 2.242 5.482 1.00 0.00 O ATOM 527 CB ASN A 40 10.759 5.208 5.012 1.00 0.00 C ATOM 528 CG ASN A 40 9.986 6.427 5.478 1.00 0.00 C ATOM 529 OD1 ASN A 40 10.060 6.815 6.644 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.239 7.037 4.566 1.00 0.00 N ATOM 0 H ASN A 40 8.457 3.855 5.802 1.00 0.00 H new ATOM 0 HA ASN A 40 9.803 4.468 3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.228 4.728 5.871 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.562 5.523 4.346 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.696 7.862 4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.208 6.680 3.611 1.00 0.00 H new ATOM 537 N TYR A 41 10.870 2.246 3.248 1.00 0.00 N ATOM 538 CA TYR A 41 11.468 0.917 3.208 1.00 0.00 C ATOM 539 C TYR A 41 12.644 0.878 2.238 1.00 0.00 C ATOM 540 O TYR A 41 12.572 1.419 1.133 1.00 0.00 O ATOM 541 CB TYR A 41 10.423 -0.123 2.802 1.00 0.00 C ATOM 542 CG TYR A 41 9.364 -0.360 3.855 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.582 -1.248 4.901 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.145 0.305 3.803 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.616 -1.468 5.864 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.174 0.093 4.763 1.00 0.00 C ATOM 547 CZ TYR A 41 7.414 -0.795 5.791 1.00 0.00 C ATOM 548 OH TYR A 41 6.450 -1.010 6.749 1.00 0.00 O ATOM 0 H TYR A 41 10.781 2.696 2.337 1.00 0.00 H new ATOM 0 HA TYR A 41 11.836 0.682 4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.940 0.200 1.880 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.926 -1.066 2.586 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.523 -1.775 4.962 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.953 0.999 2.998 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.801 -2.163 6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.233 0.620 4.709 1.00 0.00 H new ATOM 0 HH TYR A 41 5.665 -0.458 6.552 1.00 0.00 H new ATOM 558 N HIS A 42 13.729 0.234 2.657 1.00 0.00 N ATOM 559 CA HIS A 42 14.922 0.122 1.826 1.00 0.00 C ATOM 560 C HIS A 42 14.779 -1.017 0.821 1.00 0.00 C ATOM 561 O HIS A 42 13.825 -1.793 0.880 1.00 0.00 O ATOM 562 CB HIS A 42 16.158 -0.103 2.698 1.00 0.00 C ATOM 563 CG HIS A 42 16.483 1.058 3.586 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.133 0.921 4.795 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.246 2.382 3.436 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.281 2.110 5.350 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.751 3.014 4.545 1.00 0.00 N ATOM 0 H HIS A 42 13.806 -0.218 3.568 1.00 0.00 H new ATOM 0 HA HIS A 42 15.040 1.056 1.276 1.00 0.00 H new ATOM 0 HB2 HIS A 42 16.002 -0.989 3.314 1.00 0.00 H new ATOM 0 HB3 HIS A 42 17.014 -0.309 2.055 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.752 2.854 2.600 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.755 2.310 6.300 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.722 4.019 4.719 1.00 0.00 H new ATOM 575 N ILE A 43 15.732 -1.110 -0.100 1.00 0.00 N ATOM 576 CA ILE A 43 15.712 -2.154 -1.117 1.00 0.00 C ATOM 577 C ILE A 43 16.458 -3.397 -0.644 1.00 0.00 C ATOM 578 O ILE A 43 16.551 -4.391 -1.364 1.00 0.00 O ATOM 579 CB ILE A 43 16.336 -1.666 -2.437 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.749 -1.131 -2.192 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.462 -0.595 -3.073 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.636 -1.185 -3.416 1.00 0.00 C ATOM 0 H ILE A 43 16.528 -0.475 -0.163 1.00 0.00 H new ATOM 0 HA ILE A 43 14.666 -2.405 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 43 16.401 -2.510 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.683 -0.099 -1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.213 -1.707 -1.391 1.00 0.00 H new ATOM 0 HG21 ILE A 43 15.917 -0.260 -4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.474 -1.007 -3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.368 0.250 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.621 -0.790 -3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.732 -2.218 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.194 -0.586 -4.212 1.00 0.00 H new ATOM 594 N PHE A 44 16.988 -3.334 0.574 1.00 0.00 N ATOM 595 CA PHE A 44 17.726 -4.455 1.144 1.00 0.00 C ATOM 596 C PHE A 44 17.188 -4.813 2.527 1.00 0.00 C ATOM 597 O PHE A 44 17.828 -5.542 3.285 1.00 0.00 O ATOM 598 CB PHE A 44 19.216 -4.118 1.237 1.00 0.00 C ATOM 599 CG PHE A 44 19.488 -2.750 1.792 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.494 -2.531 3.160 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.737 -1.681 0.946 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.744 -1.273 3.675 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.988 -0.421 1.455 1.00 0.00 C ATOM 604 CZ PHE A 44 19.991 -0.216 2.821 1.00 0.00 C ATOM 0 H PHE A 44 16.920 -2.519 1.184 1.00 0.00 H new ATOM 0 HA PHE A 44 17.595 -5.315 0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.710 -4.860 1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.660 -4.193 0.244 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.301 -3.354 3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.735 -1.834 -0.123 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.746 -1.117 4.744 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.182 0.403 0.785 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.186 0.768 3.220 1.00 0.00 H new ATOM 614 N CYS A 45 16.007 -4.295 2.847 1.00 0.00 N ATOM 615 CA CYS A 45 15.381 -4.557 4.138 1.00 0.00 C ATOM 616 C CYS A 45 14.137 -5.425 3.972 1.00 0.00 C ATOM 617 O CYS A 45 13.725 -6.124 4.899 1.00 0.00 O ATOM 618 CB CYS A 45 15.012 -3.242 4.826 1.00 0.00 C ATOM 619 SG CYS A 45 16.397 -2.445 5.700 1.00 0.00 S ATOM 0 H CYS A 45 15.464 -3.691 2.230 1.00 0.00 H new ATOM 0 HA CYS A 45 16.097 -5.095 4.759 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.622 -2.551 4.079 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.208 -3.430 5.537 1.00 0.00 H new ATOM 0 HG CYS A 45 16.464 -1.193 5.357 1.00 0.00 H new ATOM 624 N LEU A 46 13.541 -5.375 2.785 1.00 0.00 N ATOM 625 CA LEU A 46 12.343 -6.156 2.497 1.00 0.00 C ATOM 626 C LEU A 46 12.674 -7.641 2.393 1.00 0.00 C ATOM 627 O LEU A 46 13.778 -8.068 2.733 1.00 0.00 O ATOM 628 CB LEU A 46 11.697 -5.673 1.197 1.00 0.00 C ATOM 629 CG LEU A 46 11.475 -4.165 1.077 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.543 -3.730 -0.378 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.140 -3.772 1.691 1.00 0.00 C ATOM 0 H LEU A 46 13.868 -4.802 2.007 1.00 0.00 H new ATOM 0 HA LEU A 46 11.641 -6.016 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.321 -5.996 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.734 -6.172 1.086 1.00 0.00 H new ATOM 0 HG LEU A 46 12.268 -3.656 1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.383 -2.654 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.523 -3.977 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.772 -4.247 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.999 -2.695 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.334 -4.291 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.129 -4.048 2.745 1.00 0.00 H new ATOM 643 N LEU A 47 11.711 -8.424 1.921 1.00 0.00 N ATOM 644 CA LEU A 47 11.899 -9.863 1.770 1.00 0.00 C ATOM 645 C LEU A 47 10.749 -10.484 0.983 1.00 0.00 C ATOM 646 O LEU A 47 9.639 -10.651 1.487 1.00 0.00 O ATOM 647 CB LEU A 47 12.011 -10.530 3.142 1.00 0.00 C ATOM 648 CG LEU A 47 13.046 -11.649 3.262 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.605 -11.710 4.675 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.433 -12.986 2.871 1.00 0.00 C ATOM 0 H LEU A 47 10.791 -8.087 1.636 1.00 0.00 H new ATOM 0 HA LEU A 47 12.824 -10.027 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.248 -9.762 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.035 -10.935 3.407 1.00 0.00 H new ATOM 0 HG LEU A 47 13.867 -11.434 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.340 -12.512 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.081 -10.760 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.795 -11.901 5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.184 -13.771 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.594 -13.208 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.082 -12.938 1.840 1.00 0.00 H new ATOM 662 N PRO A 48 11.020 -10.835 -0.283 1.00 0.00 N ATOM 663 CA PRO A 48 12.338 -10.639 -0.895 1.00 0.00 C ATOM 664 C PRO A 48 12.653 -9.166 -1.132 1.00 0.00 C ATOM 665 O PRO A 48 11.768 -8.350 -1.389 1.00 0.00 O ATOM 666 CB PRO A 48 12.225 -11.384 -2.227 1.00 0.00 C ATOM 667 CG PRO A 48 10.768 -11.381 -2.540 1.00 0.00 C ATOM 668 CD PRO A 48 10.060 -11.450 -1.215 1.00 0.00 C ATOM 0 HA PRO A 48 13.143 -11.002 -0.256 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.799 -10.887 -3.009 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.611 -12.400 -2.146 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.488 -10.480 -3.086 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.502 -12.230 -3.169 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.115 -10.907 -1.235 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.830 -12.478 -0.935 1.00 0.00 H new ATOM 676 N PRO A 49 13.945 -8.816 -1.047 1.00 0.00 N ATOM 677 CA PRO A 49 14.407 -7.440 -1.250 1.00 0.00 C ATOM 678 C PRO A 49 14.282 -6.995 -2.704 1.00 0.00 C ATOM 679 O PRO A 49 13.848 -7.763 -3.563 1.00 0.00 O ATOM 680 CB PRO A 49 15.879 -7.494 -0.833 1.00 0.00 C ATOM 681 CG PRO A 49 16.279 -8.915 -1.039 1.00 0.00 C ATOM 682 CD PRO A 49 15.054 -9.736 -0.745 1.00 0.00 C ATOM 0 HA PRO A 49 13.815 -6.724 -0.681 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.487 -6.820 -1.437 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.007 -7.193 0.207 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.623 -9.080 -2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.101 -9.189 -0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 49 15.013 -10.632 -1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.031 -10.065 0.294 1.00 0.00 H new ATOM 690 N LEU A 50 14.664 -5.751 -2.972 1.00 0.00 N ATOM 691 CA LEU A 50 14.595 -5.204 -4.322 1.00 0.00 C ATOM 692 C LEU A 50 15.979 -4.793 -4.815 1.00 0.00 C ATOM 693 O LEU A 50 16.896 -4.548 -4.031 1.00 0.00 O ATOM 694 CB LEU A 50 13.650 -4.002 -4.359 1.00 0.00 C ATOM 695 CG LEU A 50 12.155 -4.323 -4.344 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.335 -3.044 -4.265 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.770 -5.130 -5.576 1.00 0.00 C ATOM 0 H LEU A 50 15.025 -5.102 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 50 14.210 -5.981 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.873 -3.364 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.868 -3.422 -5.256 1.00 0.00 H new ATOM 0 HG LEU A 50 11.941 -4.923 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.274 -3.292 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.590 -2.504 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.553 -2.418 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.703 -5.349 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.999 -4.556 -6.474 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.332 -6.064 -5.589 1.00 0.00 H new ATOM 709 N PRO A 51 16.134 -4.713 -6.145 1.00 0.00 N ATOM 710 CA PRO A 51 17.402 -4.328 -6.772 1.00 0.00 C ATOM 711 C PRO A 51 17.738 -2.858 -6.546 1.00 0.00 C ATOM 712 O PRO A 51 18.876 -2.515 -6.226 1.00 0.00 O ATOM 713 CB PRO A 51 17.159 -4.599 -8.259 1.00 0.00 C ATOM 714 CG PRO A 51 15.682 -4.495 -8.426 1.00 0.00 C ATOM 715 CD PRO A 51 15.084 -4.991 -7.139 1.00 0.00 C ATOM 0 HA PRO A 51 18.246 -4.879 -6.357 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.680 -3.874 -8.884 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.521 -5.586 -8.546 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.383 -3.466 -8.624 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.342 -5.094 -9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.157 -4.470 -6.900 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.849 -6.054 -7.189 1.00 0.00 H new ATOM 723 N GLU A 52 16.741 -1.995 -6.714 1.00 0.00 N ATOM 724 CA GLU A 52 16.933 -0.562 -6.528 1.00 0.00 C ATOM 725 C GLU A 52 15.594 0.170 -6.524 1.00 0.00 C ATOM 726 O GLU A 52 14.542 -0.437 -6.727 1.00 0.00 O ATOM 727 CB GLU A 52 17.832 0.002 -7.630 1.00 0.00 C ATOM 728 CG GLU A 52 17.363 -0.343 -9.034 1.00 0.00 C ATOM 729 CD GLU A 52 18.017 0.520 -10.096 1.00 0.00 C ATOM 730 OE1 GLU A 52 18.995 1.224 -9.768 1.00 0.00 O ATOM 731 OE2 GLU A 52 17.552 0.491 -11.254 1.00 0.00 O ATOM 0 H GLU A 52 15.793 -2.263 -6.978 1.00 0.00 H new ATOM 0 HA GLU A 52 17.415 -0.408 -5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.881 1.086 -7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.845 -0.377 -7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.581 -1.391 -9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.281 -0.225 -9.091 1.00 0.00 H new ATOM 738 N ILE A 53 15.642 1.478 -6.292 1.00 0.00 N ATOM 739 CA ILE A 53 14.434 2.293 -6.262 1.00 0.00 C ATOM 740 C ILE A 53 13.593 2.074 -7.515 1.00 0.00 C ATOM 741 O ILE A 53 14.089 2.112 -8.641 1.00 0.00 O ATOM 742 CB ILE A 53 14.769 3.791 -6.136 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.207 4.120 -4.708 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.569 4.637 -6.536 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.094 3.997 -3.691 1.00 0.00 C ATOM 0 H ILE A 53 16.504 1.995 -6.122 1.00 0.00 H new ATOM 0 HA ILE A 53 13.864 1.982 -5.386 1.00 0.00 H new ATOM 0 HB ILE A 53 15.593 4.022 -6.811 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.022 3.455 -4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.601 5.136 -4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.821 5.693 -6.442 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.298 4.419 -7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.727 4.405 -5.884 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.477 4.245 -2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.287 4.682 -3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.715 2.975 -3.688 1.00 0.00 H new ATOM 757 N PRO A 54 12.287 1.842 -7.317 1.00 0.00 N ATOM 758 CA PRO A 54 11.347 1.615 -8.419 1.00 0.00 C ATOM 759 C PRO A 54 11.099 2.878 -9.238 1.00 0.00 C ATOM 760 O PRO A 54 11.544 3.965 -8.870 1.00 0.00 O ATOM 761 CB PRO A 54 10.064 1.178 -7.708 1.00 0.00 C ATOM 762 CG PRO A 54 10.163 1.777 -6.347 1.00 0.00 C ATOM 763 CD PRO A 54 11.626 1.782 -6.002 1.00 0.00 C ATOM 0 HA PRO A 54 11.725 0.883 -9.133 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.179 1.535 -8.234 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.989 0.092 -7.658 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.756 2.788 -6.335 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.593 1.195 -5.622 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.889 2.638 -5.381 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.912 0.887 -5.449 1.00 0.00 H new ATOM 771 N ARG A 55 10.384 2.726 -10.348 1.00 0.00 N ATOM 772 CA ARG A 55 10.077 3.854 -11.219 1.00 0.00 C ATOM 773 C ARG A 55 8.699 4.428 -10.901 1.00 0.00 C ATOM 774 O ARG A 55 8.583 5.490 -10.292 1.00 0.00 O ATOM 775 CB ARG A 55 10.136 3.425 -12.686 1.00 0.00 C ATOM 776 CG ARG A 55 11.549 3.194 -13.196 1.00 0.00 C ATOM 777 CD ARG A 55 11.546 2.587 -14.590 1.00 0.00 C ATOM 778 NE ARG A 55 10.900 1.277 -14.616 1.00 0.00 N ATOM 779 CZ ARG A 55 10.539 0.657 -15.734 1.00 0.00 C ATOM 780 NH1 ARG A 55 10.760 1.225 -16.911 1.00 0.00 N ATOM 781 NH2 ARG A 55 9.956 -0.533 -15.675 1.00 0.00 N ATOM 0 H ARG A 55 10.007 1.833 -10.665 1.00 0.00 H new ATOM 0 HA ARG A 55 10.824 4.629 -11.044 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.559 2.509 -12.811 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.658 4.189 -13.299 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.091 4.140 -13.211 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.081 2.533 -12.511 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.031 3.259 -15.277 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.572 2.492 -14.946 1.00 0.00 H new ATOM 0 HE ARG A 55 10.716 0.813 -13.727 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.208 2.140 -16.960 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.482 0.747 -17.768 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.785 -0.973 -14.771 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.679 -1.008 -16.534 1.00 0.00 H new ATOM 795 N GLY A 56 7.657 3.715 -11.318 1.00 0.00 N ATOM 796 CA GLY A 56 6.301 4.169 -11.069 1.00 0.00 C ATOM 797 C GLY A 56 5.945 4.153 -9.596 1.00 0.00 C ATOM 798 O GLY A 56 6.798 4.401 -8.742 1.00 0.00 O ATOM 0 H GLY A 56 7.728 2.832 -11.823 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.183 5.181 -11.457 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.603 3.535 -11.615 1.00 0.00 H new ATOM 802 N ILE A 57 4.684 3.862 -9.296 1.00 0.00 N ATOM 803 CA ILE A 57 4.218 3.816 -7.916 1.00 0.00 C ATOM 804 C ILE A 57 4.596 2.496 -7.252 1.00 0.00 C ATOM 805 O ILE A 57 4.359 1.422 -7.805 1.00 0.00 O ATOM 806 CB ILE A 57 2.692 4.003 -7.830 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.289 5.361 -8.407 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.223 3.874 -6.388 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.792 5.552 -8.516 1.00 0.00 C ATOM 0 H ILE A 57 3.966 3.654 -9.991 1.00 0.00 H new ATOM 0 HA ILE A 57 4.706 4.637 -7.391 1.00 0.00 H new ATOM 0 HB ILE A 57 2.212 3.222 -8.419 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.703 6.150 -7.780 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.734 5.473 -9.396 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.142 4.009 -6.343 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.481 2.885 -6.008 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.709 4.635 -5.778 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.580 6.537 -8.933 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.374 4.785 -9.167 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.342 5.473 -7.526 1.00 0.00 H new ATOM 821 N TRP A 58 5.182 2.585 -6.064 1.00 0.00 N ATOM 822 CA TRP A 58 5.591 1.397 -5.323 1.00 0.00 C ATOM 823 C TRP A 58 4.836 1.292 -4.002 1.00 0.00 C ATOM 824 O TRP A 58 4.620 2.294 -3.319 1.00 0.00 O ATOM 825 CB TRP A 58 7.098 1.426 -5.063 1.00 0.00 C ATOM 826 CG TRP A 58 7.580 0.274 -4.234 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.085 -0.910 -4.691 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.601 0.196 -2.805 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.418 -1.719 -3.632 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.132 -1.064 -2.464 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.225 1.068 -1.780 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.294 -1.470 -1.142 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.386 0.663 -0.468 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.917 -0.596 -0.159 1.00 0.00 C ATOM 0 H TRP A 58 5.385 3.467 -5.593 1.00 0.00 H new ATOM 0 HA TRP A 58 5.351 0.522 -5.927 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.624 1.423 -6.018 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.355 2.359 -4.561 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.205 -1.172 -5.732 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.814 -2.656 -3.704 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.816 2.041 -2.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.703 -2.440 -0.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.098 1.328 0.332 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.031 -0.883 0.876 1.00 0.00 H new ATOM 845 N ARG A 59 4.438 0.075 -3.648 1.00 0.00 N ATOM 846 CA ARG A 59 3.707 -0.159 -2.408 1.00 0.00 C ATOM 847 C ARG A 59 4.495 -1.076 -1.477 1.00 0.00 C ATOM 848 O ARG A 59 5.394 -1.796 -1.911 1.00 0.00 O ATOM 849 CB ARG A 59 2.338 -0.773 -2.707 1.00 0.00 C ATOM 850 CG ARG A 59 1.182 0.197 -2.526 1.00 0.00 C ATOM 851 CD ARG A 59 -0.068 -0.511 -2.030 1.00 0.00 C ATOM 852 NE ARG A 59 -1.177 -0.390 -2.973 1.00 0.00 N ATOM 853 CZ ARG A 59 -2.428 -0.731 -2.685 1.00 0.00 C ATOM 854 NH1 ARG A 59 -2.728 -1.212 -1.487 1.00 0.00 N ATOM 855 NH2 ARG A 59 -3.382 -0.591 -3.596 1.00 0.00 N ATOM 0 H ARG A 59 4.609 -0.764 -4.202 1.00 0.00 H new ATOM 0 HA ARG A 59 3.567 0.801 -1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.332 -1.145 -3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.185 -1.633 -2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.466 0.975 -1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.969 0.692 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.154 -1.565 -1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.363 -0.093 -1.068 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.980 -0.023 -3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.997 -1.321 -0.784 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.689 -1.473 -1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.155 -0.221 -4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.342 -0.853 -3.373 1.00 0.00 H new ATOM 869 N CYS A 60 4.152 -1.042 -0.193 1.00 0.00 N ATOM 870 CA CYS A 60 4.827 -1.868 0.801 1.00 0.00 C ATOM 871 C CYS A 60 4.048 -3.154 1.059 1.00 0.00 C ATOM 872 O CYS A 60 2.850 -3.247 0.793 1.00 0.00 O ATOM 873 CB CYS A 60 4.999 -1.091 2.108 1.00 0.00 C ATOM 874 SG CYS A 60 3.486 -0.993 3.118 1.00 0.00 S ATOM 0 H CYS A 60 3.411 -0.451 0.183 1.00 0.00 H new ATOM 0 HA CYS A 60 5.810 -2.132 0.411 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.787 -1.561 2.697 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.335 -0.080 1.876 1.00 0.00 H new ATOM 0 HG CYS A 60 3.312 0.231 3.521 1.00 0.00 H new ATOM 879 N PRO A 61 4.743 -4.170 1.590 1.00 0.00 N ATOM 880 CA PRO A 61 4.137 -5.469 1.897 1.00 0.00 C ATOM 881 C PRO A 61 3.165 -5.393 3.069 1.00 0.00 C ATOM 882 O PRO A 61 2.265 -6.224 3.198 1.00 0.00 O ATOM 883 CB PRO A 61 5.340 -6.346 2.256 1.00 0.00 C ATOM 884 CG PRO A 61 6.379 -5.389 2.730 1.00 0.00 C ATOM 885 CD PRO A 61 6.175 -4.129 1.933 1.00 0.00 C ATOM 0 HA PRO A 61 3.547 -5.851 1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.085 -7.069 3.031 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.688 -6.913 1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.275 -5.197 3.798 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.380 -5.791 2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.424 -3.241 2.514 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.801 -4.112 1.041 1.00 0.00 H new ATOM 893 N LYS A 62 3.351 -4.392 3.922 1.00 0.00 N ATOM 894 CA LYS A 62 2.489 -4.205 5.083 1.00 0.00 C ATOM 895 C LYS A 62 1.098 -3.746 4.660 1.00 0.00 C ATOM 896 O LYS A 62 0.134 -3.873 5.416 1.00 0.00 O ATOM 897 CB LYS A 62 3.105 -3.184 6.042 1.00 0.00 C ATOM 898 CG LYS A 62 3.681 -3.804 7.303 1.00 0.00 C ATOM 899 CD LYS A 62 3.295 -3.012 8.541 1.00 0.00 C ATOM 900 CE LYS A 62 3.956 -3.574 9.791 1.00 0.00 C ATOM 901 NZ LYS A 62 3.175 -3.261 11.019 1.00 0.00 N ATOM 0 H LYS A 62 4.092 -3.697 3.831 1.00 0.00 H new ATOM 0 HA LYS A 62 2.396 -5.164 5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.893 -2.640 5.522 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.344 -2.455 6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.325 -4.830 7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.767 -3.850 7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.585 -1.969 8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.212 -3.029 8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.060 -4.655 9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.962 -3.164 9.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.658 -3.661 11.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.097 -2.230 11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.224 -3.674 10.940 1.00 0.00 H new ATOM 915 N CYS A 63 0.999 -3.212 3.447 1.00 0.00 N ATOM 916 CA CYS A 63 -0.275 -2.735 2.922 1.00 0.00 C ATOM 917 C CYS A 63 -0.859 -3.730 1.924 1.00 0.00 C ATOM 918 O CYS A 63 -2.061 -3.995 1.927 1.00 0.00 O ATOM 919 CB CYS A 63 -0.096 -1.371 2.253 1.00 0.00 C ATOM 920 SG CYS A 63 -0.001 0.023 3.422 1.00 0.00 S ATOM 0 H CYS A 63 1.787 -3.099 2.809 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.969 -2.635 3.757 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.813 -1.390 1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.928 -1.202 1.569 1.00 0.00 H new ATOM 0 HG CYS A 63 1.237 0.396 3.553 1.00 0.00 H new ATOM 925 N ILE A 64 0.001 -4.279 1.072 1.00 0.00 N ATOM 926 CA ILE A 64 -0.430 -5.245 0.069 1.00 0.00 C ATOM 927 C ILE A 64 -0.905 -6.539 0.721 1.00 0.00 C ATOM 928 O ILE A 64 -1.946 -7.086 0.354 1.00 0.00 O ATOM 929 CB ILE A 64 0.703 -5.570 -0.923 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.184 -4.294 -1.617 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.233 -6.592 -1.947 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.575 -4.411 -2.199 1.00 0.00 C ATOM 0 H ILE A 64 1.000 -4.071 1.056 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.258 -4.788 -0.474 1.00 0.00 H new ATOM 0 HB ILE A 64 1.539 -5.997 -0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.486 -4.038 -2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.166 -3.472 -0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.044 -6.811 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.066 -7.508 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.617 -6.190 -2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.851 -3.470 -2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.285 -4.636 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.594 -5.211 -2.939 1.00 0.00 H new ATOM 944 N LEU A 65 -0.138 -7.022 1.692 1.00 0.00 N ATOM 945 CA LEU A 65 -0.482 -8.252 2.398 1.00 0.00 C ATOM 946 C LEU A 65 -1.752 -8.069 3.224 1.00 0.00 C ATOM 947 O LEU A 65 -2.384 -9.042 3.632 1.00 0.00 O ATOM 948 CB LEU A 65 0.672 -8.681 3.306 1.00 0.00 C ATOM 949 CG LEU A 65 1.981 -9.042 2.602 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.087 -9.278 3.619 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.793 -10.269 1.722 1.00 0.00 C ATOM 0 H LEU A 65 0.726 -6.581 2.009 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.662 -9.030 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.872 -7.874 4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.347 -9.542 3.890 1.00 0.00 H new ATOM 0 HG LEU A 65 2.272 -8.205 1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.010 -9.534 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.240 -8.373 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.804 -10.097 4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.735 -10.511 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.478 -11.112 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.032 -10.064 0.969 1.00 0.00 H new ATOM 963 N ALA A 66 -2.120 -6.814 3.463 1.00 0.00 N ATOM 964 CA ALA A 66 -3.317 -6.504 4.235 1.00 0.00 C ATOM 965 C ALA A 66 -4.548 -6.439 3.338 1.00 0.00 C ATOM 966 O ALA A 66 -5.580 -7.036 3.641 1.00 0.00 O ATOM 967 CB ALA A 66 -3.136 -5.191 4.983 1.00 0.00 C ATOM 0 H ALA A 66 -1.607 -5.997 3.133 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.470 -7.304 4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.037 -4.971 5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.286 -5.273 5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.955 -4.388 4.269 1.00 0.00 H new ATOM 973 N GLU A 67 -4.431 -5.709 2.233 1.00 0.00 N ATOM 974 CA GLU A 67 -5.536 -5.565 1.293 1.00 0.00 C ATOM 975 C GLU A 67 -5.780 -6.868 0.536 1.00 0.00 C ATOM 976 O GLU A 67 -6.893 -7.136 0.083 1.00 0.00 O ATOM 977 CB GLU A 67 -5.250 -4.434 0.303 1.00 0.00 C ATOM 978 CG GLU A 67 -4.133 -4.751 -0.677 1.00 0.00 C ATOM 979 CD GLU A 67 -4.648 -5.035 -2.075 1.00 0.00 C ATOM 980 OE1 GLU A 67 -5.689 -5.713 -2.197 1.00 0.00 O ATOM 981 OE2 GLU A 67 -4.010 -4.579 -3.047 1.00 0.00 O ATOM 0 H GLU A 67 -3.583 -5.209 1.967 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.433 -5.321 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.160 -4.212 -0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.990 -3.533 0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.437 -3.913 -0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.573 -5.614 -0.317 1.00 0.00 H new ATOM 988 N CYS A 68 -4.731 -7.672 0.403 1.00 0.00 N ATOM 989 CA CYS A 68 -4.830 -8.947 -0.300 1.00 0.00 C ATOM 990 C CYS A 68 -5.776 -9.897 0.427 1.00 0.00 C ATOM 991 O CYS A 68 -6.734 -10.404 -0.158 1.00 0.00 O ATOM 992 CB CYS A 68 -3.448 -9.587 -0.433 1.00 0.00 C ATOM 993 SG CYS A 68 -2.549 -9.102 -1.925 1.00 0.00 S ATOM 0 H CYS A 68 -3.803 -7.464 0.772 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.231 -8.755 -1.295 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.851 -9.322 0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.559 -10.671 -0.425 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.391 -9.693 -1.946 1.00 0.00 H new