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= 1.39 USER MOD Set 1.2: A 47 CYS SG : rot -50:sc= 0.367 USER MOD Set 1.3: A 65 CYS SG : rot -131:sc= -4.07! USER MOD Set 1.4: A 68 CYS SG : rot 152:sc= 1.06 USER MOD Set 2.1: A 18 CYS SG : rot 20:sc= -0.91 USER MOD Set 2.2: A 21 CYS SG : rot 180:sc= 0.0111 USER MOD Set 2.3: A 38 HIS : no HD1:sc= -5.25! C(o=-7.2!,f=-9.6!) USER MOD Set 2.4: A 41 CYS SG : rot -168:sc= -1.1 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -15:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -130:sc= -0.0232 USER MOD Single : A 48 GLN : amide:sc= -0.0751 K(o=-0.075,f=-0.62) USER MOD Single : A 49 THR OG1 : rot 80:sc= -1.01 USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 58 SER OG : rot -170:sc= -0.0123 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N PRO A 16 4.129 11.029 -2.973 1.00 0.00 N ATOM 194 CA PRO A 16 3.175 10.229 -2.200 1.00 0.00 C ATOM 195 C PRO A 16 3.815 9.590 -0.972 1.00 0.00 C ATOM 196 O PRO A 16 5.039 9.494 -0.878 1.00 0.00 O ATOM 197 CB PRO A 16 2.729 9.153 -3.192 1.00 0.00 C ATOM 198 CG PRO A 16 3.859 9.033 -4.155 1.00 0.00 C ATOM 199 CD PRO A 16 4.453 10.410 -4.269 1.00 0.00 C ATOM 0 HA PRO A 16 2.357 10.834 -1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.536 8.206 -2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.807 9.439 -3.698 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.600 8.316 -3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.510 8.677 -5.124 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.529 10.371 -4.438 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.020 10.967 -5.100 1.00 0.00 H new ATOM 207 N ARG A 17 2.980 9.154 -0.035 1.00 0.00 N ATOM 208 CA ARG A 17 3.466 8.524 1.187 1.00 0.00 C ATOM 209 C ARG A 17 2.629 7.297 1.536 1.00 0.00 C ATOM 210 O ARG A 17 1.404 7.310 1.407 1.00 0.00 O ATOM 211 CB ARG A 17 3.435 9.521 2.347 1.00 0.00 C ATOM 212 CG ARG A 17 4.200 10.805 2.067 1.00 0.00 C ATOM 213 CD ARG A 17 4.306 11.673 3.311 1.00 0.00 C ATOM 214 NE ARG A 17 4.771 13.021 2.999 1.00 0.00 N ATOM 215 CZ ARG A 17 5.303 13.841 3.899 1.00 0.00 C ATOM 216 NH1 ARG A 17 5.436 13.452 5.159 1.00 0.00 N ATOM 217 NH2 ARG A 17 5.703 15.054 3.538 1.00 0.00 N ATOM 0 H ARG A 17 1.964 9.225 -0.098 1.00 0.00 H new ATOM 0 HA ARG A 17 4.494 8.205 1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.398 9.768 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.852 9.046 3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.199 10.563 1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.700 11.362 1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.332 11.729 3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.991 11.208 4.020 1.00 0.00 H new ATOM 0 HE ARG A 17 4.683 13.351 2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.130 12.521 5.440 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.845 14.084 5.847 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.602 15.357 2.569 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.111 15.683 4.229 1.00 0.00 H new ATOM 231 N CYS A 18 3.298 6.236 1.977 1.00 0.00 N ATOM 232 CA CYS A 18 2.617 5.000 2.343 1.00 0.00 C ATOM 233 C CYS A 18 1.349 5.293 3.140 1.00 0.00 C ATOM 234 O CYS A 18 1.381 6.020 4.132 1.00 0.00 O ATOM 235 CB CYS A 18 3.550 4.103 3.159 1.00 0.00 C ATOM 236 SG CYS A 18 2.835 2.484 3.590 1.00 0.00 S ATOM 0 H CYS A 18 4.311 6.208 2.089 1.00 0.00 H new ATOM 0 HA CYS A 18 2.336 4.483 1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.469 3.944 2.595 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.825 4.623 4.077 1.00 0.00 H new ATOM 0 HG CYS A 18 1.846 2.219 2.789 1.00 0.00 H new ATOM 241 N ALA A 19 0.234 4.720 2.698 1.00 0.00 N ATOM 242 CA ALA A 19 -1.044 4.917 3.370 1.00 0.00 C ATOM 243 C ALA A 19 -1.016 4.341 4.782 1.00 0.00 C ATOM 244 O ALA A 19 -1.863 4.669 5.613 1.00 0.00 O ATOM 245 CB ALA A 19 -2.168 4.285 2.562 1.00 0.00 C ATOM 0 H ALA A 19 0.190 4.116 1.877 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.225 5.989 3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.117 4.440 3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.210 4.746 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.983 3.216 2.456 1.00 0.00 H new ATOM 251 N ARG A 20 -0.039 3.480 5.045 1.00 0.00 N ATOM 252 CA ARG A 20 0.098 2.857 6.356 1.00 0.00 C ATOM 253 C ARG A 20 0.997 3.691 7.264 1.00 0.00 C ATOM 254 O ARG A 20 0.583 4.119 8.342 1.00 0.00 O ATOM 255 CB ARG A 20 0.667 1.443 6.216 1.00 0.00 C ATOM 256 CG ARG A 20 1.051 0.807 7.542 1.00 0.00 C ATOM 257 CD ARG A 20 -0.176 0.470 8.375 1.00 0.00 C ATOM 258 NE ARG A 20 0.067 -0.651 9.278 1.00 0.00 N ATOM 259 CZ ARG A 20 -0.617 -0.853 10.399 1.00 0.00 C ATOM 260 NH1 ARG A 20 -1.581 -0.014 10.751 1.00 0.00 N ATOM 261 NH2 ARG A 20 -0.337 -1.896 11.170 1.00 0.00 N ATOM 0 H ARG A 20 0.670 3.198 4.368 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.892 2.800 6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.070 0.811 5.720 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.545 1.476 5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.628 -0.100 7.358 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.695 1.487 8.100 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.472 1.345 8.954 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.008 0.229 7.714 1.00 0.00 H new ATOM 0 HE ARG A 20 0.802 -1.315 9.035 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.799 0.789 10.161 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.105 -0.171 11.612 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.404 -2.544 10.902 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.863 -2.050 12.030 1.00 0.00 H new ATOM 275 N CYS A 21 2.229 3.917 6.821 1.00 0.00 N ATOM 276 CA CYS A 21 3.188 4.699 7.593 1.00 0.00 C ATOM 277 C CYS A 21 3.114 6.176 7.216 1.00 0.00 C ATOM 278 O CYS A 21 3.192 7.052 8.077 1.00 0.00 O ATOM 279 CB CYS A 21 4.606 4.173 7.366 1.00 0.00 C ATOM 280 SG CYS A 21 4.704 2.368 7.144 1.00 0.00 S ATOM 0 H CYS A 21 2.587 3.570 5.931 1.00 0.00 H new ATOM 0 HA CYS A 21 2.936 4.599 8.649 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.026 4.660 6.486 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.228 4.458 8.215 1.00 0.00 H new ATOM 0 HG CYS A 21 5.943 2.020 6.956 1.00 0.00 H new ATOM 285 N SER A 22 2.963 6.444 5.923 1.00 0.00 N ATOM 286 CA SER A 22 2.883 7.814 5.430 1.00 0.00 C ATOM 287 C SER A 22 4.216 8.535 5.610 1.00 0.00 C ATOM 288 O SER A 22 4.265 9.659 6.110 1.00 0.00 O ATOM 289 CB SER A 22 1.776 8.577 6.160 1.00 0.00 C ATOM 290 OG SER A 22 1.300 9.658 5.378 1.00 0.00 O ATOM 0 H SER A 22 2.894 5.730 5.198 1.00 0.00 H new ATOM 0 HA SER A 22 2.650 7.778 4.366 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.953 7.900 6.389 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.154 8.951 7.111 1.00 0.00 H new ATOM 0 HG SER A 22 0.592 10.128 5.866 1.00 0.00 H new ATOM 296 N LYS A 23 5.296 7.880 5.198 1.00 0.00 N ATOM 297 CA LYS A 23 6.630 8.456 5.311 1.00 0.00 C ATOM 298 C LYS A 23 7.044 9.129 4.007 1.00 0.00 C ATOM 299 O LYS A 23 7.033 10.356 3.898 1.00 0.00 O ATOM 300 CB LYS A 23 7.646 7.373 5.683 1.00 0.00 C ATOM 301 CG LYS A 23 7.418 6.772 7.059 1.00 0.00 C ATOM 302 CD LYS A 23 8.611 5.949 7.513 1.00 0.00 C ATOM 303 CE LYS A 23 8.541 5.638 9.001 1.00 0.00 C ATOM 304 NZ LYS A 23 9.748 4.904 9.472 1.00 0.00 N ATOM 0 H LYS A 23 5.273 6.949 4.782 1.00 0.00 H new ATOM 0 HA LYS A 23 6.607 9.210 6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.607 6.579 4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.649 7.798 5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.230 7.569 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.528 6.144 7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.649 5.018 6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.532 6.491 7.297 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.439 6.567 9.562 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.651 5.043 9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.662 4.711 10.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.831 4.005 8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.595 5.482 9.300 1.00 0.00 H new ATOM 318 N THR A 24 7.409 8.319 3.017 1.00 0.00 N ATOM 319 CA THR A 24 7.826 8.837 1.720 1.00 0.00 C ATOM 320 C THR A 24 7.925 7.719 0.689 1.00 0.00 C ATOM 321 O THR A 24 8.224 6.573 1.027 1.00 0.00 O ATOM 322 CB THR A 24 9.185 9.557 1.813 1.00 0.00 C ATOM 323 OG1 THR A 24 10.002 8.934 2.811 1.00 0.00 O ATOM 324 CG2 THR A 24 8.996 11.028 2.151 1.00 0.00 C ATOM 0 H THR A 24 7.424 7.302 3.089 1.00 0.00 H new ATOM 0 HA THR A 24 7.066 9.552 1.405 1.00 0.00 H new ATOM 0 HB THR A 24 9.677 9.484 0.843 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.865 9.396 2.863 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.969 11.515 2.211 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.398 11.506 1.375 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.485 11.118 3.110 1.00 0.00 H new ATOM 332 N LEU A 25 7.674 8.059 -0.571 1.00 0.00 N ATOM 333 CA LEU A 25 7.736 7.083 -1.654 1.00 0.00 C ATOM 334 C LEU A 25 8.483 7.651 -2.856 1.00 0.00 C ATOM 335 O LEU A 25 8.041 7.515 -3.997 1.00 0.00 O ATOM 336 CB LEU A 25 6.325 6.662 -2.068 1.00 0.00 C ATOM 337 CG LEU A 25 5.558 5.803 -1.063 1.00 0.00 C ATOM 338 CD1 LEU A 25 4.068 6.101 -1.132 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.820 4.325 -1.315 1.00 0.00 C ATOM 0 H LEU A 25 7.426 9.003 -0.868 1.00 0.00 H new ATOM 0 HA LEU A 25 8.278 6.209 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.742 7.562 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.392 6.113 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 25 5.911 6.049 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.539 5.480 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.896 7.152 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.700 5.885 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.266 3.729 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.496 4.065 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.886 4.122 -1.213 1.00 0.00 H new ATOM 396 N VAL A 30 3.916 1.625 -5.182 1.00 0.00 N ATOM 397 CA VAL A 30 2.656 1.046 -5.630 1.00 0.00 C ATOM 398 C VAL A 30 1.466 1.826 -5.082 1.00 0.00 C ATOM 399 O VAL A 30 1.633 2.797 -4.342 1.00 0.00 O ATOM 400 CB VAL A 30 2.531 -0.428 -5.201 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.467 -1.304 -6.019 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.815 -0.575 -3.713 1.00 0.00 C ATOM 0 HA VAL A 30 2.653 1.101 -6.719 1.00 0.00 H new ATOM 0 HB VAL A 30 1.509 -0.757 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.364 -2.342 -5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.212 -1.221 -7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.496 -0.978 -5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.722 -1.623 -3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.826 -0.229 -3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.100 0.021 -3.146 1.00 0.00 H new ATOM 412 N THR A 31 0.263 1.395 -5.448 1.00 0.00 N ATOM 413 CA THR A 31 -0.955 2.053 -4.993 1.00 0.00 C ATOM 414 C THR A 31 -2.079 1.045 -4.782 1.00 0.00 C ATOM 415 O THR A 31 -2.500 0.365 -5.719 1.00 0.00 O ATOM 416 CB THR A 31 -1.423 3.124 -5.997 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.476 3.907 -5.422 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.909 2.481 -7.287 1.00 0.00 C ATOM 0 H THR A 31 0.106 0.593 -6.058 1.00 0.00 H new ATOM 0 HA THR A 31 -0.719 2.533 -4.044 1.00 0.00 H new ATOM 0 HB THR A 31 -0.575 3.769 -6.228 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.767 4.587 -6.065 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.234 3.257 -7.980 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.097 1.909 -7.737 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.744 1.815 -7.070 1.00 0.00 H new ATOM 426 N TYR A 32 -2.560 0.953 -3.548 1.00 0.00 N ATOM 427 CA TYR A 32 -3.635 0.025 -3.214 1.00 0.00 C ATOM 428 C TYR A 32 -4.899 0.778 -2.810 1.00 0.00 C ATOM 429 O TYR A 32 -4.897 1.545 -1.847 1.00 0.00 O ATOM 430 CB TYR A 32 -3.199 -0.906 -2.082 1.00 0.00 C ATOM 431 CG TYR A 32 -4.355 -1.524 -1.327 1.00 0.00 C ATOM 432 CD1 TYR A 32 -4.954 -0.857 -0.266 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.849 -2.775 -1.677 1.00 0.00 C ATOM 434 CE1 TYR A 32 -6.010 -1.418 0.426 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.905 -3.343 -0.991 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.482 -2.661 0.060 1.00 0.00 C ATOM 437 OH TYR A 32 -7.534 -3.223 0.746 1.00 0.00 O ATOM 0 H TYR A 32 -2.223 1.509 -2.762 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.856 -0.570 -4.100 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.579 -1.702 -2.496 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.576 -0.348 -1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.588 0.117 0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.400 -3.312 -2.499 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.463 -0.886 1.249 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.277 -4.316 -1.276 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.669 -2.742 1.589 1.00 0.00 H new ATOM 447 N ARG A 33 -5.977 0.553 -3.554 1.00 0.00 N ATOM 448 CA ARG A 33 -7.248 1.209 -3.275 1.00 0.00 C ATOM 449 C ARG A 33 -7.130 2.720 -3.453 1.00 0.00 C ATOM 450 O ARG A 33 -7.459 3.489 -2.550 1.00 0.00 O ATOM 451 CB ARG A 33 -7.712 0.887 -1.854 1.00 0.00 C ATOM 452 CG ARG A 33 -8.470 -0.426 -1.743 1.00 0.00 C ATOM 453 CD ARG A 33 -9.074 -0.605 -0.359 1.00 0.00 C ATOM 454 NE ARG A 33 -10.077 -1.666 -0.334 1.00 0.00 N ATOM 455 CZ ARG A 33 -11.277 -1.557 -0.893 1.00 0.00 C ATOM 456 NH1 ARG A 33 -11.621 -0.440 -1.519 1.00 0.00 N ATOM 457 NH2 ARG A 33 -12.135 -2.567 -0.828 1.00 0.00 N ATOM 0 H ARG A 33 -5.995 -0.079 -4.355 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.985 0.833 -3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.843 0.852 -1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.349 1.696 -1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.261 -0.456 -2.493 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.796 -1.256 -1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.283 -0.836 0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.529 0.332 -0.038 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.843 -2.539 0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.964 0.338 -1.572 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.543 -0.359 -1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.873 -3.428 -0.348 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.056 -2.482 -1.258 1.00 0.00 H new ATOM 471 N ASP A 34 -6.658 3.138 -4.623 1.00 0.00 N ATOM 472 CA ASP A 34 -6.497 4.557 -4.920 1.00 0.00 C ATOM 473 C ASP A 34 -5.667 5.247 -3.842 1.00 0.00 C ATOM 474 O ASP A 34 -5.937 6.390 -3.475 1.00 0.00 O ATOM 475 CB ASP A 34 -7.864 5.233 -5.039 1.00 0.00 C ATOM 476 CG ASP A 34 -8.503 5.011 -6.396 1.00 0.00 C ATOM 477 OD1 ASP A 34 -9.171 3.972 -6.574 1.00 0.00 O ATOM 478 OD2 ASP A 34 -8.334 5.877 -7.280 1.00 0.00 O ATOM 0 H ASP A 34 -6.380 2.514 -5.381 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.972 4.647 -5.871 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.525 4.849 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.754 6.303 -4.863 1.00 0.00 H new ATOM 483 N GLN A 35 -4.658 4.543 -3.338 1.00 0.00 N ATOM 484 CA GLN A 35 -3.790 5.088 -2.301 1.00 0.00 C ATOM 485 C GLN A 35 -2.396 4.473 -2.379 1.00 0.00 C ATOM 486 O GLN A 35 -2.230 3.287 -2.663 1.00 0.00 O ATOM 487 CB GLN A 35 -4.394 4.838 -0.918 1.00 0.00 C ATOM 488 CG GLN A 35 -5.686 5.600 -0.671 1.00 0.00 C ATOM 489 CD GLN A 35 -6.022 5.717 0.802 1.00 0.00 C ATOM 490 OE1 GLN A 35 -6.172 6.818 1.331 1.00 0.00 O ATOM 491 NE2 GLN A 35 -6.143 4.578 1.474 1.00 0.00 N ATOM 0 H GLN A 35 -4.422 3.595 -3.631 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.703 6.162 -2.463 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.583 3.771 -0.801 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.666 5.118 -0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.603 6.598 -1.101 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.504 5.098 -1.188 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.010 3.687 0.996 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.369 4.594 2.469 1.00 0.00 H new ATOM 500 N PRO A 36 -1.370 5.298 -2.123 1.00 0.00 N ATOM 501 CA PRO A 36 0.027 4.858 -2.158 1.00 0.00 C ATOM 502 C PRO A 36 0.368 3.917 -1.006 1.00 0.00 C ATOM 503 O PRO A 36 0.044 4.193 0.149 1.00 0.00 O ATOM 504 CB PRO A 36 0.815 6.164 -2.031 1.00 0.00 C ATOM 505 CG PRO A 36 -0.110 7.097 -1.328 1.00 0.00 C ATOM 506 CD PRO A 36 -1.495 6.724 -1.778 1.00 0.00 C ATOM 0 HA PRO A 36 0.253 4.294 -3.063 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.735 6.018 -1.465 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.100 6.551 -3.009 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.012 7.002 -0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.116 8.133 -1.579 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.230 6.883 -0.989 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.813 7.318 -2.635 1.00 0.00 H new ATOM 514 N TRP A 37 1.023 2.808 -1.329 1.00 0.00 N ATOM 515 CA TRP A 37 1.407 1.827 -0.320 1.00 0.00 C ATOM 516 C TRP A 37 2.864 1.411 -0.494 1.00 0.00 C ATOM 517 O TRP A 37 3.422 1.511 -1.587 1.00 0.00 O ATOM 518 CB TRP A 37 0.500 0.599 -0.402 1.00 0.00 C ATOM 519 CG TRP A 37 -0.785 0.758 0.354 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.831 1.574 0.029 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.158 0.085 1.561 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.832 1.450 0.962 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.444 0.542 1.912 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.533 -0.860 2.379 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -3.112 0.085 3.045 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -1.197 -1.311 3.503 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.476 -0.840 3.828 1.00 0.00 C ATOM 0 H TRP A 37 1.299 2.565 -2.280 1.00 0.00 H new ATOM 0 HA TRP A 37 1.294 2.288 0.661 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.275 0.392 -1.448 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.037 -0.267 -0.014 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.866 2.222 -0.835 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.720 1.952 0.949 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.452 -1.231 2.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.098 0.448 3.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.722 -2.040 4.143 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.969 -1.214 4.713 1.00 0.00 H new ATOM 538 N HIS A 38 3.474 0.943 0.591 1.00 0.00 N ATOM 539 CA HIS A 38 4.867 0.510 0.557 1.00 0.00 C ATOM 540 C HIS A 38 4.976 -0.932 0.071 1.00 0.00 C ATOM 541 O HIS A 38 4.427 -1.847 0.684 1.00 0.00 O ATOM 542 CB HIS A 38 5.497 0.643 1.944 1.00 0.00 C ATOM 543 CG HIS A 38 6.090 1.993 2.206 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.082 2.590 3.449 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.713 2.862 1.377 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.672 3.769 3.373 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.065 3.958 2.126 1.00 0.00 N ATOM 0 H HIS A 38 3.026 0.854 1.503 1.00 0.00 H new ATOM 0 HA HIS A 38 5.405 1.151 -0.141 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.739 0.435 2.700 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.274 -0.114 2.055 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.899 2.720 0.323 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.810 4.461 4.191 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.551 4.784 1.776 1.00 0.00 H new ATOM 555 N ARG A 39 5.688 -1.126 -1.034 1.00 0.00 N ATOM 556 CA ARG A 39 5.867 -2.456 -1.603 1.00 0.00 C ATOM 557 C ARG A 39 6.054 -3.497 -0.504 1.00 0.00 C ATOM 558 O ARG A 39 5.530 -4.607 -0.592 1.00 0.00 O ATOM 559 CB ARG A 39 7.072 -2.473 -2.546 1.00 0.00 C ATOM 560 CG ARG A 39 6.755 -1.982 -3.949 1.00 0.00 C ATOM 561 CD ARG A 39 6.967 -0.482 -4.076 1.00 0.00 C ATOM 562 NE ARG A 39 8.375 -0.115 -3.948 1.00 0.00 N ATOM 563 CZ ARG A 39 8.791 1.045 -3.452 1.00 0.00 C ATOM 564 NH1 ARG A 39 7.911 1.946 -3.039 1.00 0.00 N ATOM 565 NH2 ARG A 39 10.089 1.305 -3.369 1.00 0.00 N ATOM 0 H ARG A 39 6.150 -0.379 -1.553 1.00 0.00 H new ATOM 0 HA ARG A 39 4.969 -2.706 -2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.862 -1.853 -2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.462 -3.489 -2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.387 -2.502 -4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.722 -2.227 -4.196 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.590 -0.143 -5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.387 0.032 -3.309 1.00 0.00 H new ATOM 0 HE ARG A 39 9.078 -0.787 -4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.912 1.749 -3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.233 2.836 -2.658 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.769 0.614 -3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.407 2.196 -2.988 1.00 0.00 H new ATOM 579 N GLU A 40 6.804 -3.131 0.530 1.00 0.00 N ATOM 580 CA GLU A 40 7.060 -4.034 1.646 1.00 0.00 C ATOM 581 C GLU A 40 5.830 -4.157 2.540 1.00 0.00 C ATOM 582 O GLU A 40 5.525 -5.235 3.051 1.00 0.00 O ATOM 583 CB GLU A 40 8.254 -3.541 2.467 1.00 0.00 C ATOM 584 CG GLU A 40 8.094 -2.119 2.979 1.00 0.00 C ATOM 585 CD GLU A 40 8.884 -1.864 4.248 1.00 0.00 C ATOM 586 OE1 GLU A 40 8.668 -2.596 5.237 1.00 0.00 O ATOM 587 OE2 GLU A 40 9.717 -0.934 4.253 1.00 0.00 O ATOM 0 H GLU A 40 7.245 -2.216 0.618 1.00 0.00 H new ATOM 0 HA GLU A 40 7.291 -5.018 1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.402 -4.209 3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.154 -3.599 1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.418 -1.420 2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.039 -1.921 3.166 1.00 0.00 H new ATOM 594 N CYS A 41 5.126 -3.045 2.725 1.00 0.00 N ATOM 595 CA CYS A 41 3.930 -3.026 3.557 1.00 0.00 C ATOM 596 C CYS A 41 2.795 -3.805 2.897 1.00 0.00 C ATOM 597 O CYS A 41 2.203 -4.697 3.506 1.00 0.00 O ATOM 598 CB CYS A 41 3.489 -1.585 3.820 1.00 0.00 C ATOM 599 SG CYS A 41 4.511 -0.706 5.044 1.00 0.00 S ATOM 0 H CYS A 41 5.364 -2.145 2.309 1.00 0.00 H new ATOM 0 HA CYS A 41 4.171 -3.504 4.506 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.511 -1.033 2.881 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.454 -1.590 4.163 1.00 0.00 H new ATOM 0 HG CYS A 41 3.927 0.406 5.379 1.00 0.00 H new ATOM 604 N LEU A 42 2.498 -3.461 1.649 1.00 0.00 N ATOM 605 CA LEU A 42 1.435 -4.128 0.904 1.00 0.00 C ATOM 606 C LEU A 42 1.621 -5.642 0.926 1.00 0.00 C ATOM 607 O LEU A 42 2.258 -6.212 0.040 1.00 0.00 O ATOM 608 CB LEU A 42 1.406 -3.627 -0.541 1.00 0.00 C ATOM 609 CG LEU A 42 0.267 -4.158 -1.412 1.00 0.00 C ATOM 610 CD1 LEU A 42 -1.073 -3.639 -0.915 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.485 -3.771 -2.868 1.00 0.00 C ATOM 0 H LEU A 42 2.978 -2.725 1.131 1.00 0.00 H new ATOM 0 HA LEU A 42 0.485 -3.891 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.348 -2.539 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.352 -3.890 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 42 0.259 -5.246 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.871 -4.028 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.232 -3.967 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.078 -2.550 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.335 -4.157 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.520 -2.685 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.426 -4.194 -3.220 1.00 0.00 H new ATOM 623 N VAL A 43 1.060 -6.287 1.943 1.00 0.00 N ATOM 624 CA VAL A 43 1.161 -7.735 2.079 1.00 0.00 C ATOM 625 C VAL A 43 -0.178 -8.345 2.480 1.00 0.00 C ATOM 626 O VAL A 43 -1.011 -7.685 3.102 1.00 0.00 O ATOM 627 CB VAL A 43 2.224 -8.128 3.122 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.583 -7.564 2.738 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.812 -7.653 4.507 1.00 0.00 C ATOM 0 H VAL A 43 0.531 -5.830 2.685 1.00 0.00 H new ATOM 0 HA VAL A 43 1.457 -8.124 1.105 1.00 0.00 H new ATOM 0 HB VAL A 43 2.302 -9.215 3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.321 -7.852 3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.879 -7.958 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.524 -6.477 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.574 -7.939 5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.704 -6.568 4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.861 -8.111 4.781 1.00 0.00 H new ATOM 639 N CYS A 44 -0.378 -9.608 2.120 1.00 0.00 N ATOM 640 CA CYS A 44 -1.616 -10.308 2.441 1.00 0.00 C ATOM 641 C CYS A 44 -1.911 -10.234 3.936 1.00 0.00 C ATOM 642 O CYS A 44 -0.996 -10.225 4.762 1.00 0.00 O ATOM 643 CB CYS A 44 -1.529 -11.770 1.999 1.00 0.00 C ATOM 644 SG CYS A 44 -3.039 -12.736 2.322 1.00 0.00 S ATOM 0 H CYS A 44 0.302 -10.168 1.606 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.429 -9.821 1.904 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.311 -11.803 0.932 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.691 -12.244 2.511 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.162 -13.663 1.419 1.00 0.00 H new ATOM 649 N THR A 45 -3.194 -10.180 4.279 1.00 0.00 N ATOM 650 CA THR A 45 -3.610 -10.106 5.674 1.00 0.00 C ATOM 651 C THR A 45 -3.811 -11.497 6.263 1.00 0.00 C ATOM 652 O THR A 45 -4.497 -11.662 7.271 1.00 0.00 O ATOM 653 CB THR A 45 -4.915 -9.302 5.829 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.928 -8.207 4.907 1.00 0.00 O ATOM 655 CG2 THR A 45 -5.062 -8.777 7.249 1.00 0.00 C ATOM 0 H THR A 45 -3.963 -10.186 3.609 1.00 0.00 H new ATOM 0 HA THR A 45 -2.812 -9.598 6.215 1.00 0.00 H new ATOM 0 HB THR A 45 -5.752 -9.966 5.616 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.155 -7.381 5.383 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.991 -8.213 7.334 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.081 -9.614 7.946 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.220 -8.127 7.486 1.00 0.00 H new ATOM 663 N GLY A 46 -3.207 -12.497 5.627 1.00 0.00 N ATOM 664 CA GLY A 46 -3.332 -13.862 6.103 1.00 0.00 C ATOM 665 C GLY A 46 -2.002 -14.587 6.142 1.00 0.00 C ATOM 666 O GLY A 46 -1.606 -15.119 7.180 1.00 0.00 O ATOM 0 H GLY A 46 -2.634 -12.386 4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.769 -13.857 7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.020 -14.407 5.457 1.00 0.00 H new ATOM 670 N CYS A 47 -1.308 -14.609 5.009 1.00 0.00 N ATOM 671 CA CYS A 47 -0.015 -15.276 4.916 1.00 0.00 C ATOM 672 C CYS A 47 1.124 -14.263 4.982 1.00 0.00 C ATOM 673 O CYS A 47 2.290 -14.634 5.121 1.00 0.00 O ATOM 674 CB CYS A 47 0.076 -16.078 3.617 1.00 0.00 C ATOM 675 SG CYS A 47 -0.162 -15.083 2.109 1.00 0.00 S ATOM 0 H CYS A 47 -1.620 -14.172 4.142 1.00 0.00 H new ATOM 0 HA CYS A 47 0.077 -15.957 5.762 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.051 -16.562 3.569 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.673 -16.870 3.639 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.244 -14.372 2.224 1.00 0.00 H new ATOM 680 N GLN A 48 0.779 -12.984 4.881 1.00 0.00 N ATOM 681 CA GLN A 48 1.773 -11.918 4.929 1.00 0.00 C ATOM 682 C GLN A 48 2.715 -11.999 3.733 1.00 0.00 C ATOM 683 O GLN A 48 3.937 -12.003 3.890 1.00 0.00 O ATOM 684 CB GLN A 48 2.573 -11.996 6.230 1.00 0.00 C ATOM 685 CG GLN A 48 1.713 -11.896 7.480 1.00 0.00 C ATOM 686 CD GLN A 48 0.951 -10.588 7.560 1.00 0.00 C ATOM 687 OE1 GLN A 48 1.420 -9.552 7.086 1.00 0.00 O ATOM 688 NE2 GLN A 48 -0.232 -10.628 8.162 1.00 0.00 N ATOM 0 H GLN A 48 -0.181 -12.660 4.765 1.00 0.00 H new ATOM 0 HA GLN A 48 1.248 -10.964 4.891 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.124 -12.936 6.252 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.311 -11.194 6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.006 -12.726 7.498 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.346 -11.998 8.361 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.582 -11.508 8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.791 -9.779 8.246 1.00 0.00 H new ATOM 697 N THR A 49 2.140 -12.063 2.536 1.00 0.00 N ATOM 698 CA THR A 49 2.929 -12.145 1.313 1.00 0.00 C ATOM 699 C THR A 49 2.875 -10.835 0.535 1.00 0.00 C ATOM 700 O THR A 49 1.838 -10.177 0.452 1.00 0.00 O ATOM 701 CB THR A 49 2.439 -13.289 0.404 1.00 0.00 C ATOM 702 OG1 THR A 49 3.395 -13.534 -0.633 1.00 0.00 O ATOM 703 CG2 THR A 49 1.090 -12.950 -0.212 1.00 0.00 C ATOM 0 H THR A 49 1.131 -12.060 2.388 1.00 0.00 H new ATOM 0 HA THR A 49 3.958 -12.344 1.613 1.00 0.00 H new ATOM 0 HB THR A 49 2.327 -14.186 1.013 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.130 -14.076 -0.279 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.764 -13.772 -0.850 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.358 -12.793 0.580 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.180 -12.042 -0.808 1.00 0.00 H new ATOM 711 N PRO A 50 4.017 -10.446 -0.050 1.00 0.00 N ATOM 712 CA PRO A 50 4.125 -9.211 -0.833 1.00 0.00 C ATOM 713 C PRO A 50 3.364 -9.293 -2.152 1.00 0.00 C ATOM 714 O PRO A 50 3.729 -10.057 -3.046 1.00 0.00 O ATOM 715 CB PRO A 50 5.629 -9.085 -1.091 1.00 0.00 C ATOM 716 CG PRO A 50 6.145 -10.481 -1.014 1.00 0.00 C ATOM 717 CD PRO A 50 5.292 -11.181 0.007 1.00 0.00 C ATOM 0 HA PRO A 50 3.695 -8.357 -0.309 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.827 -8.643 -2.067 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.106 -8.445 -0.348 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.079 -10.976 -1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.195 -10.494 -0.721 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.159 -12.235 -0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.737 -11.136 1.001 1.00 0.00 H new ATOM 725 N LEU A 51 2.303 -8.500 -2.267 1.00 0.00 N ATOM 726 CA LEU A 51 1.490 -8.482 -3.477 1.00 0.00 C ATOM 727 C LEU A 51 1.971 -7.402 -4.441 1.00 0.00 C ATOM 728 O LEU A 51 1.293 -7.080 -5.416 1.00 0.00 O ATOM 729 CB LEU A 51 0.020 -8.248 -3.124 1.00 0.00 C ATOM 730 CG LEU A 51 -0.535 -9.086 -1.972 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.623 -8.323 -1.233 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.069 -10.415 -2.487 1.00 0.00 C ATOM 0 H LEU A 51 1.987 -7.862 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 51 1.590 -9.451 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.110 -7.195 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.582 -8.443 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 51 0.276 -9.290 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.006 -8.935 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.210 -7.398 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.434 -8.088 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.460 -10.998 -1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.866 -10.232 -3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.264 -10.968 -2.970 1.00 0.00 H new ATOM 744 N ALA A 52 3.147 -6.849 -4.162 1.00 0.00 N ATOM 745 CA ALA A 52 3.721 -5.809 -5.006 1.00 0.00 C ATOM 746 C ALA A 52 3.632 -6.188 -6.481 1.00 0.00 C ATOM 747 O ALA A 52 4.472 -6.926 -6.994 1.00 0.00 O ATOM 748 CB ALA A 52 5.168 -5.548 -4.613 1.00 0.00 C ATOM 0 H ALA A 52 3.720 -7.104 -3.358 1.00 0.00 H new ATOM 0 HA ALA A 52 3.145 -4.896 -4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.584 -4.769 -5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.210 -5.225 -3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.748 -6.463 -4.732 1.00 0.00 H new ATOM 754 N GLY A 53 2.608 -5.677 -7.158 1.00 0.00 N ATOM 755 CA GLY A 53 2.428 -5.974 -8.567 1.00 0.00 C ATOM 756 C GLY A 53 2.013 -7.412 -8.808 1.00 0.00 C ATOM 757 O GLY A 53 2.416 -8.022 -9.798 1.00 0.00 O ATOM 0 H GLY A 53 1.900 -5.063 -6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.673 -5.307 -8.982 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.358 -5.773 -9.099 1.00 0.00 H new ATOM 761 N GLN A 54 1.208 -7.954 -7.901 1.00 0.00 N ATOM 762 CA GLN A 54 0.741 -9.330 -8.019 1.00 0.00 C ATOM 763 C GLN A 54 -0.780 -9.382 -8.129 1.00 0.00 C ATOM 764 O GLN A 54 -1.473 -8.457 -7.706 1.00 0.00 O ATOM 765 CB GLN A 54 1.206 -10.154 -6.817 1.00 0.00 C ATOM 766 CG GLN A 54 0.580 -11.538 -6.750 1.00 0.00 C ATOM 767 CD GLN A 54 1.393 -12.505 -5.912 1.00 0.00 C ATOM 768 OE1 GLN A 54 1.268 -12.397 -4.594 1.00 0.00 O flip ATOM 769 NE2 GLN A 54 2.125 -13.341 -6.442 1.00 0.00 N flip ATOM 0 H GLN A 54 0.865 -7.461 -7.076 1.00 0.00 H new ATOM 0 HA GLN A 54 1.167 -9.755 -8.928 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.291 -10.256 -6.855 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.968 -9.612 -5.902 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.425 -11.459 -6.335 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.477 -11.936 -7.760 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.191 -13.389 -7.459 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.665 -13.985 -5.864 1.00 0.00 H new ATOM 778 N GLN A 55 -1.290 -10.468 -8.699 1.00 0.00 N ATOM 779 CA GLN A 55 -2.729 -10.639 -8.865 1.00 0.00 C ATOM 780 C GLN A 55 -3.385 -11.040 -7.547 1.00 0.00 C ATOM 781 O GLN A 55 -3.205 -12.159 -7.068 1.00 0.00 O ATOM 782 CB GLN A 55 -3.019 -11.694 -9.934 1.00 0.00 C ATOM 783 CG GLN A 55 -2.349 -13.032 -9.666 1.00 0.00 C ATOM 784 CD GLN A 55 -2.548 -14.020 -10.798 1.00 0.00 C ATOM 785 OE1 GLN A 55 -3.195 -13.714 -11.800 1.00 0.00 O ATOM 786 NE2 GLN A 55 -1.990 -15.216 -10.645 1.00 0.00 N ATOM 0 H GLN A 55 -0.729 -11.243 -9.054 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.148 -9.685 -9.183 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.097 -11.844 -10.002 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.688 -11.319 -10.902 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.282 -12.875 -9.509 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.748 -13.456 -8.744 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.462 -15.428 -9.798 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.090 -15.922 -11.374 1.00 0.00 H new ATOM 795 N PHE A 56 -4.145 -10.118 -6.966 1.00 0.00 N ATOM 796 CA PHE A 56 -4.827 -10.374 -5.703 1.00 0.00 C ATOM 797 C PHE A 56 -6.135 -9.594 -5.623 1.00 0.00 C ATOM 798 O PHE A 56 -6.491 -8.858 -6.544 1.00 0.00 O ATOM 799 CB PHE A 56 -3.923 -10.000 -4.526 1.00 0.00 C ATOM 800 CG PHE A 56 -3.709 -8.520 -4.382 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.594 -7.747 -3.648 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.623 -7.902 -4.981 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.399 -6.385 -3.515 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.423 -6.541 -4.851 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.312 -5.781 -4.116 1.00 0.00 C ATOM 0 H PHE A 56 -4.304 -9.186 -7.350 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.056 -11.438 -5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.360 -10.387 -3.605 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.957 -10.488 -4.651 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.445 -8.214 -3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.924 -8.491 -5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.097 -5.793 -2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.573 -6.072 -5.323 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.157 -4.717 -4.012 1.00 0.00 H new ATOM 815 N THR A 57 -6.850 -9.760 -4.514 1.00 0.00 N ATOM 816 CA THR A 57 -8.120 -9.074 -4.313 1.00 0.00 C ATOM 817 C THR A 57 -8.223 -8.511 -2.900 1.00 0.00 C ATOM 818 O THR A 57 -7.460 -8.892 -2.012 1.00 0.00 O ATOM 819 CB THR A 57 -9.313 -10.014 -4.567 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.543 -9.316 -4.344 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.244 -11.233 -3.660 1.00 0.00 C ATOM 0 H THR A 57 -6.570 -10.364 -3.741 1.00 0.00 H new ATOM 0 HA THR A 57 -8.154 -8.255 -5.031 1.00 0.00 H new ATOM 0 HB THR A 57 -9.269 -10.349 -5.603 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.297 -9.920 -4.509 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.097 -11.882 -3.858 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.320 -11.778 -3.853 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.265 -10.913 -2.618 1.00 0.00 H new ATOM 829 N SER A 58 -9.172 -7.603 -2.697 1.00 0.00 N ATOM 830 CA SER A 58 -9.373 -6.985 -1.391 1.00 0.00 C ATOM 831 C SER A 58 -10.697 -7.430 -0.778 1.00 0.00 C ATOM 832 O SER A 58 -11.731 -7.439 -1.446 1.00 0.00 O ATOM 833 CB SER A 58 -9.341 -5.461 -1.515 1.00 0.00 C ATOM 834 OG SER A 58 -8.242 -5.035 -2.301 1.00 0.00 O ATOM 0 H SER A 58 -9.814 -7.279 -3.420 1.00 0.00 H new ATOM 0 HA SER A 58 -8.564 -7.306 -0.735 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.270 -5.110 -1.964 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.277 -5.014 -0.523 1.00 0.00 H new ATOM 0 HG SER A 58 -8.151 -4.061 -2.236 1.00 0.00 H new ATOM 840 N ARG A 59 -10.656 -7.799 0.498 1.00 0.00 N ATOM 841 CA ARG A 59 -11.852 -8.246 1.202 1.00 0.00 C ATOM 842 C ARG A 59 -11.998 -7.525 2.539 1.00 0.00 C ATOM 843 O ARG A 59 -11.025 -7.361 3.276 1.00 0.00 O ATOM 844 CB ARG A 59 -11.800 -9.758 1.430 1.00 0.00 C ATOM 845 CG ARG A 59 -12.455 -10.564 0.320 1.00 0.00 C ATOM 846 CD ARG A 59 -13.971 -10.545 0.438 1.00 0.00 C ATOM 847 NE ARG A 59 -14.597 -11.583 -0.376 1.00 0.00 N ATOM 848 CZ ARG A 59 -15.842 -11.510 -0.832 1.00 0.00 C ATOM 849 NH1 ARG A 59 -16.591 -10.451 -0.555 1.00 0.00 N ATOM 850 NH2 ARG A 59 -16.341 -12.496 -1.566 1.00 0.00 N ATOM 0 H ARG A 59 -9.808 -7.797 1.065 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.717 -8.007 0.583 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.759 -10.067 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -12.290 -9.992 2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.159 -10.160 -0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -12.099 -11.593 0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.255 -10.682 1.481 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.346 -9.569 0.131 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.047 -12.410 -0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.211 -9.691 0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.547 -10.397 -0.906 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.768 -13.312 -1.781 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.298 -12.438 -1.915 1.00 0.00 H new ATOM 864 N ASP A 60 -13.217 -7.096 2.844 1.00 0.00 N ATOM 865 CA ASP A 60 -13.490 -6.392 4.092 1.00 0.00 C ATOM 866 C ASP A 60 -12.475 -5.278 4.321 1.00 0.00 C ATOM 867 O ASP A 60 -12.046 -5.039 5.449 1.00 0.00 O ATOM 868 CB ASP A 60 -13.468 -7.369 5.268 1.00 0.00 C ATOM 869 CG ASP A 60 -14.726 -8.213 5.344 1.00 0.00 C ATOM 870 OD1 ASP A 60 -15.799 -7.716 4.944 1.00 0.00 O ATOM 871 OD2 ASP A 60 -14.636 -9.371 5.802 1.00 0.00 O ATOM 0 H ASP A 60 -14.032 -7.223 2.244 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.482 -5.945 4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.600 -8.023 5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.351 -6.812 6.197 1.00 0.00 H new ATOM 876 N GLU A 61 -12.093 -4.600 3.242 1.00 0.00 N ATOM 877 CA GLU A 61 -11.126 -3.513 3.327 1.00 0.00 C ATOM 878 C GLU A 61 -9.753 -4.036 3.738 1.00 0.00 C ATOM 879 O GLU A 61 -9.109 -3.485 4.631 1.00 0.00 O ATOM 880 CB GLU A 61 -11.601 -2.455 4.325 1.00 0.00 C ATOM 881 CG GLU A 61 -12.994 -1.924 4.033 1.00 0.00 C ATOM 882 CD GLU A 61 -13.183 -0.493 4.500 1.00 0.00 C ATOM 883 OE1 GLU A 61 -12.477 -0.078 5.443 1.00 0.00 O ATOM 884 OE2 GLU A 61 -14.036 0.211 3.922 1.00 0.00 O ATOM 0 H GLU A 61 -12.439 -4.785 2.300 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.041 -3.059 2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.587 -2.882 5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.897 -1.623 4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.183 -1.980 2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.731 -2.562 4.520 1.00 0.00 H new ATOM 891 N ASP A 62 -9.312 -5.103 3.081 1.00 0.00 N ATOM 892 CA ASP A 62 -8.016 -5.702 3.376 1.00 0.00 C ATOM 893 C ASP A 62 -7.480 -6.462 2.167 1.00 0.00 C ATOM 894 O ASP A 62 -8.171 -7.282 1.563 1.00 0.00 O ATOM 895 CB ASP A 62 -8.126 -6.642 4.578 1.00 0.00 C ATOM 896 CG ASP A 62 -8.240 -5.892 5.891 1.00 0.00 C ATOM 897 OD1 ASP A 62 -9.322 -5.329 6.160 1.00 0.00 O ATOM 898 OD2 ASP A 62 -7.248 -5.869 6.649 1.00 0.00 O ATOM 0 H ASP A 62 -9.834 -5.571 2.340 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.319 -4.899 3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.997 -7.286 4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.251 -7.292 4.609 1.00 0.00 H new ATOM 903 N PRO A 63 -6.219 -6.184 1.805 1.00 0.00 N ATOM 904 CA PRO A 63 -5.562 -6.831 0.665 1.00 0.00 C ATOM 905 C PRO A 63 -5.267 -8.304 0.925 1.00 0.00 C ATOM 906 O PRO A 63 -4.419 -8.641 1.752 1.00 0.00 O ATOM 907 CB PRO A 63 -4.259 -6.043 0.512 1.00 0.00 C ATOM 908 CG PRO A 63 -3.989 -5.490 1.869 1.00 0.00 C ATOM 909 CD PRO A 63 -5.336 -5.218 2.480 1.00 0.00 C ATOM 0 HA PRO A 63 -6.189 -6.820 -0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.445 -6.686 0.177 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.362 -5.248 -0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.422 -6.198 2.473 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.397 -4.577 1.808 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.325 -5.370 3.559 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.656 -4.191 2.305 1.00 0.00 H new ATOM 917 N TYR A 64 -5.970 -9.178 0.214 1.00 0.00 N ATOM 918 CA TYR A 64 -5.785 -10.616 0.370 1.00 0.00 C ATOM 919 C TYR A 64 -5.306 -11.248 -0.933 1.00 0.00 C ATOM 920 O TYR A 64 -5.770 -10.893 -2.017 1.00 0.00 O ATOM 921 CB TYR A 64 -7.090 -11.275 0.820 1.00 0.00 C ATOM 922 CG TYR A 64 -7.383 -11.095 2.292 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.741 -11.872 3.249 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.302 -10.147 2.727 1.00 0.00 C ATOM 925 CE1 TYR A 64 -7.006 -11.712 4.595 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.572 -9.979 4.072 1.00 0.00 C ATOM 927 CZ TYR A 64 -7.922 -10.764 5.001 1.00 0.00 C ATOM 928 OH TYR A 64 -8.188 -10.600 6.341 1.00 0.00 O ATOM 0 H TYR A 64 -6.674 -8.916 -0.476 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.023 -10.777 1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.915 -10.861 0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.046 -12.341 0.595 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.022 -12.614 2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.814 -9.531 2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.499 -12.325 5.325 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.288 -9.237 4.394 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.855 -9.892 6.458 1.00 0.00 H new ATOM 938 N CYS A 65 -4.374 -12.189 -0.820 1.00 0.00 N ATOM 939 CA CYS A 65 -3.831 -12.873 -1.987 1.00 0.00 C ATOM 940 C CYS A 65 -4.754 -14.002 -2.435 1.00 0.00 C ATOM 941 O CYS A 65 -5.446 -14.613 -1.620 1.00 0.00 O ATOM 942 CB CYS A 65 -2.440 -13.429 -1.676 1.00 0.00 C ATOM 943 SG CYS A 65 -2.456 -15.065 -0.874 1.00 0.00 S ATOM 0 H CYS A 65 -3.979 -12.495 0.069 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.753 -12.149 -2.798 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.872 -13.496 -2.604 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.915 -12.725 -1.031 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.674 -15.047 0.164 1.00 0.00 H new ATOM 948 N VAL A 66 -4.760 -14.273 -3.736 1.00 0.00 N ATOM 949 CA VAL A 66 -5.597 -15.329 -4.293 1.00 0.00 C ATOM 950 C VAL A 66 -5.535 -16.589 -3.437 1.00 0.00 C ATOM 951 O VAL A 66 -6.529 -17.298 -3.285 1.00 0.00 O ATOM 952 CB VAL A 66 -5.174 -15.679 -5.733 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.051 -16.790 -6.291 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.233 -14.445 -6.620 1.00 0.00 C ATOM 0 H VAL A 66 -4.195 -13.776 -4.424 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.619 -14.950 -4.303 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.144 -16.036 -5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.738 -17.024 -7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.953 -17.679 -5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.091 -16.464 -6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.931 -14.710 -7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.251 -14.056 -6.635 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.559 -13.683 -6.229 1.00 0.00 H new ATOM 964 N ALA A 67 -4.360 -16.861 -2.878 1.00 0.00 N ATOM 965 CA ALA A 67 -4.169 -18.033 -2.034 1.00 0.00 C ATOM 966 C ALA A 67 -5.078 -17.984 -0.811 1.00 0.00 C ATOM 967 O ALA A 67 -5.643 -18.999 -0.402 1.00 0.00 O ATOM 968 CB ALA A 67 -2.713 -18.145 -1.607 1.00 0.00 C ATOM 0 H ALA A 67 -3.526 -16.285 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.435 -18.915 -2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.585 -19.025 -0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.081 -18.236 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.428 -17.254 -1.048 1.00 0.00 H new ATOM 974 N CYS A 68 -5.216 -16.797 -0.229 1.00 0.00 N ATOM 975 CA CYS A 68 -6.056 -16.614 0.948 1.00 0.00 C ATOM 976 C CYS A 68 -7.514 -16.406 0.550 1.00 0.00 C ATOM 977 O CYS A 68 -8.419 -17.005 1.130 1.00 0.00 O ATOM 978 CB CYS A 68 -5.565 -15.421 1.770 1.00 0.00 C ATOM 979 SG CYS A 68 -4.064 -15.757 2.746 1.00 0.00 S ATOM 0 H CYS A 68 -4.756 -15.947 -0.554 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.989 -17.517 1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.369 -14.586 1.097 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.361 -15.106 2.445 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.397 -14.653 2.910 1.00 0.00 H new ATOM 984 N PHE A 69 -7.733 -15.553 -0.445 1.00 0.00 N ATOM 985 CA PHE A 69 -9.081 -15.265 -0.922 1.00 0.00 C ATOM 986 C PHE A 69 -9.876 -16.553 -1.119 1.00 0.00 C ATOM 987 O PHE A 69 -10.988 -16.693 -0.611 1.00 0.00 O ATOM 988 CB PHE A 69 -9.024 -14.482 -2.236 1.00 0.00 C ATOM 989 CG PHE A 69 -10.377 -14.118 -2.776 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.154 -13.160 -2.146 1.00 0.00 C ATOM 991 CD2 PHE A 69 -10.873 -14.735 -3.913 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.400 -12.822 -2.641 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.117 -14.402 -4.413 1.00 0.00 C ATOM 994 CZ PHE A 69 -12.882 -13.445 -3.775 1.00 0.00 C ATOM 0 H PHE A 69 -6.995 -15.049 -0.937 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.584 -14.660 -0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.446 -13.571 -2.082 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.492 -15.075 -2.980 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.782 -12.671 -1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.280 -15.485 -4.415 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.995 -12.072 -2.141 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.491 -14.889 -5.301 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.856 -13.184 -4.163 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.295 -17.492 -1.860 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.962 -18.756 -2.111 1.00 0.00 C ATOM 1006 C GLY A 70 -9.627 -19.806 -1.071 1.00 0.00 C ATOM 1007 O GLY A 70 -9.628 -21.001 -1.364 1.00 0.00 O ATOM 0 H GLY A 70 -8.375 -17.400 -2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.040 -18.597 -2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.679 -19.123 -3.097 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.338 -19.359 0.147 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.997 -20.269 1.234 1.00 0.00 C ATOM 1013 C GLU A 71 -9.732 -19.888 2.515 1.00 0.00 C ATOM 1014 O GLU A 71 -10.174 -20.753 3.272 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.486 -20.263 1.479 1.00 0.00 C ATOM 1016 CG GLU A 71 -7.065 -21.059 2.702 1.00 0.00 C ATOM 1017 CD GLU A 71 -6.919 -22.541 2.412 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -5.881 -22.935 1.841 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -7.844 -23.306 2.758 1.00 0.00 O ATOM 0 H GLU A 71 -9.333 -18.372 0.406 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.307 -21.273 0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.982 -20.668 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.149 -19.233 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.117 -20.671 3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.801 -20.918 3.494 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.860 -18.587 2.752 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.542 -18.089 3.941 1.00 0.00 C ATOM 1028 C LEU A 72 -12.039 -17.936 3.688 1.00 0.00 C ATOM 1029 O LEU A 72 -12.859 -18.570 4.351 1.00 0.00 O ATOM 1030 CB LEU A 72 -9.946 -16.748 4.371 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.612 -16.813 5.114 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.499 -17.256 4.177 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.281 -15.464 5.737 1.00 0.00 C ATOM 0 H LEU A 72 -9.500 -17.858 2.136 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.401 -18.816 4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.814 -16.130 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.669 -16.240 5.008 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.700 -17.548 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.557 -17.296 4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.730 -18.244 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.411 -16.546 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.328 -15.530 6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.213 -14.709 4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.065 -15.187 6.442 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.386 -17.092 2.722 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.784 -16.856 2.379 1.00 0.00 C ATOM 1047 C PHE A 73 -14.358 -18.034 1.597 1.00 0.00 C ATOM 1048 O PHE A 73 -15.476 -18.479 1.855 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.921 -15.570 1.561 1.00 0.00 C ATOM 1050 CG PHE A 73 -13.120 -14.424 2.109 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.597 -13.674 3.173 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -11.891 -14.095 1.561 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.862 -12.618 3.678 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -11.151 -13.040 2.062 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.638 -12.302 3.123 1.00 0.00 C ATOM 0 H PHE A 73 -11.719 -16.560 2.163 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.347 -16.749 3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.606 -15.766 0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -14.972 -15.283 1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.553 -13.918 3.612 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.506 -14.670 0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -13.245 -12.040 4.506 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.195 -12.794 1.625 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.062 -11.478 3.518 1.00 0.00 H new