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= 0.905 USER MOD Set 1.2: A 37 CYS SG : rot -51:sc= 0.355 USER MOD Set 1.3: A 60 CYS SG : rot -133:sc= 0.272 USER MOD Set 1.4: A 63 CYS SG : rot 104:sc= 0.233 USER MOD Set 2.1: A 19 CYS SG : rot 148:sc= 0.332 USER MOD Set 2.2: A 22 CYS SG : rot -55:sc= -0.0961 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -3.52 X(o=-3.3,f=-3.4) USER MOD Set 2.4: A 45 CYS SG : rot 135:sc= -0.0136 USER MOD Single : A 16 SER OG : rot 36:sc= 0.11 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0384 K(o=-0.038,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -0.0643 (180deg=-0.469) USER MOD Single : A 40 ASN : amide:sc= -1.94 K(o=-1.9,f=-3.4) 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 USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 16 10.953 13.522 8.670 1.00 0.00 N ATOM 184 CA SER A 16 12.029 12.673 8.171 1.00 0.00 C ATOM 185 C SER A 16 11.485 11.330 7.695 1.00 0.00 C ATOM 186 O SER A 16 10.278 11.088 7.731 1.00 0.00 O ATOM 187 CB SER A 16 13.081 12.454 9.259 1.00 0.00 C ATOM 188 OG SER A 16 13.570 13.690 9.752 1.00 0.00 O ATOM 0 HA SER A 16 12.493 13.178 7.324 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.648 11.878 10.077 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.907 11.867 8.858 1.00 0.00 H new ATOM 0 HG SER A 16 12.840 14.344 9.777 1.00 0.00 H new ATOM 194 N TYR A 17 12.384 10.458 7.251 1.00 0.00 N ATOM 195 CA TYR A 17 11.995 9.139 6.767 1.00 0.00 C ATOM 196 C TYR A 17 12.874 8.053 7.379 1.00 0.00 C ATOM 197 O TYR A 17 14.071 7.978 7.100 1.00 0.00 O ATOM 198 CB TYR A 17 12.087 9.086 5.241 1.00 0.00 C ATOM 199 CG TYR A 17 11.481 10.289 4.555 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.146 10.623 4.748 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.241 11.092 3.714 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.587 11.722 4.123 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.691 12.192 3.086 1.00 0.00 C ATOM 204 CZ TYR A 17 10.364 12.503 3.294 1.00 0.00 C ATOM 205 OH TYR A 17 9.811 13.598 2.669 1.00 0.00 O ATOM 0 H TYR A 17 13.387 10.641 7.216 1.00 0.00 H new ATOM 0 HA TYR A 17 10.963 8.958 7.069 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.135 9.003 4.951 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.586 8.185 4.886 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.535 10.014 5.397 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.281 10.852 3.548 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.548 11.967 4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.297 12.805 2.436 1.00 0.00 H new ATOM 0 HH TYR A 17 10.492 14.041 2.121 1.00 0.00 H new ATOM 215 N ILE A 18 12.271 7.213 8.213 1.00 0.00 N ATOM 216 CA ILE A 18 12.998 6.130 8.863 1.00 0.00 C ATOM 217 C ILE A 18 12.471 4.770 8.418 1.00 0.00 C ATOM 218 O ILE A 18 11.268 4.513 8.463 1.00 0.00 O ATOM 219 CB ILE A 18 12.900 6.228 10.397 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.215 7.652 10.860 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.845 5.232 11.053 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.580 8.140 10.430 1.00 0.00 C ATOM 0 H ILE A 18 11.281 7.262 8.454 1.00 0.00 H new ATOM 0 HA ILE A 18 14.042 6.228 8.566 1.00 0.00 H new ATOM 0 HB ILE A 18 11.881 5.985 10.697 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.456 8.329 10.468 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.149 7.695 11.947 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.764 5.313 12.137 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.580 4.221 10.744 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.869 5.447 10.748 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.734 9.156 10.793 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.347 7.486 10.844 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.644 8.130 9.342 1.00 0.00 H new ATOM 234 N CYS A 19 13.381 3.901 7.990 1.00 0.00 N ATOM 235 CA CYS A 19 13.010 2.566 7.537 1.00 0.00 C ATOM 236 C CYS A 19 12.148 1.858 8.579 1.00 0.00 C ATOM 237 O CYS A 19 12.224 2.160 9.769 1.00 0.00 O ATOM 238 CB CYS A 19 14.263 1.737 7.247 1.00 0.00 C ATOM 239 SG CYS A 19 13.940 0.200 6.323 1.00 0.00 S ATOM 0 H CYS A 19 14.381 4.098 7.948 1.00 0.00 H new ATOM 0 HA CYS A 19 12.430 2.668 6.620 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.967 2.347 6.681 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.746 1.486 8.191 1.00 0.00 H new ATOM 0 HG CYS A 19 14.959 -0.071 5.562 1.00 0.00 H new ATOM 244 N GLN A 20 11.330 0.916 8.121 1.00 0.00 N ATOM 245 CA GLN A 20 10.454 0.166 9.013 1.00 0.00 C ATOM 246 C GLN A 20 10.942 -1.270 9.175 1.00 0.00 C ATOM 247 O GLN A 20 10.172 -2.162 9.531 1.00 0.00 O ATOM 248 CB GLN A 20 9.021 0.172 8.478 1.00 0.00 C ATOM 249 CG GLN A 20 8.223 1.399 8.891 1.00 0.00 C ATOM 250 CD GLN A 20 7.724 1.317 10.320 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.870 0.290 10.983 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.132 2.403 10.804 1.00 0.00 N ATOM 0 H GLN A 20 11.256 0.654 7.138 1.00 0.00 H new ATOM 0 HA GLN A 20 10.472 0.649 9.990 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.048 0.116 7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.506 -0.722 8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.845 2.287 8.778 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.373 1.518 8.220 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.032 3.233 10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.777 2.407 11.760 1.00 0.00 H new ATOM 261 N VAL A 21 12.227 -1.486 8.911 1.00 0.00 N ATOM 262 CA VAL A 21 12.819 -2.813 9.028 1.00 0.00 C ATOM 263 C VAL A 21 14.116 -2.768 9.827 1.00 0.00 C ATOM 264 O VAL A 21 14.368 -3.627 10.673 1.00 0.00 O ATOM 265 CB VAL A 21 13.102 -3.426 7.644 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.747 -4.796 7.788 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.821 -3.515 6.829 1.00 0.00 C ATOM 0 H VAL A 21 12.878 -0.759 8.615 1.00 0.00 H new ATOM 0 HA VAL A 21 12.095 -3.437 9.552 1.00 0.00 H new ATOM 0 HB VAL A 21 13.799 -2.776 7.114 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.939 -5.213 6.800 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.687 -4.700 8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.077 -5.458 8.337 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.040 -3.950 5.854 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.099 -4.142 7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.405 -2.517 6.695 1.00 0.00 H new ATOM 277 N CYS A 22 14.938 -1.760 9.553 1.00 0.00 N ATOM 278 CA CYS A 22 16.211 -1.601 10.245 1.00 0.00 C ATOM 279 C CYS A 22 16.221 -0.323 11.079 1.00 0.00 C ATOM 280 O CYS A 22 17.056 -0.156 11.968 1.00 0.00 O ATOM 281 CB CYS A 22 17.363 -1.576 9.239 1.00 0.00 C ATOM 282 SG CYS A 22 17.307 -0.173 8.079 1.00 0.00 S ATOM 0 H CYS A 22 14.745 -1.041 8.856 1.00 0.00 H new ATOM 0 HA CYS A 22 16.341 -2.452 10.914 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.306 -1.545 9.784 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.354 -2.505 8.669 1.00 0.00 H new ATOM 0 HG CYS A 22 16.155 -0.154 7.477 1.00 0.00 H new ATOM 287 N SER A 23 15.288 0.576 10.784 1.00 0.00 N ATOM 288 CA SER A 23 15.191 1.841 11.503 1.00 0.00 C ATOM 289 C SER A 23 16.437 2.692 11.276 1.00 0.00 C ATOM 290 O SER A 23 17.181 2.986 12.212 1.00 0.00 O ATOM 291 CB SER A 23 14.998 1.588 12.999 1.00 0.00 C ATOM 292 OG SER A 23 14.059 0.551 13.224 1.00 0.00 O ATOM 0 H SER A 23 14.588 0.452 10.052 1.00 0.00 H new ATOM 0 HA SER A 23 14.327 2.383 11.119 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.953 1.323 13.452 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.658 2.503 13.485 1.00 0.00 H new ATOM 0 HG SER A 23 13.955 0.408 14.188 1.00 0.00 H new ATOM 298 N ARG A 24 16.659 3.084 10.026 1.00 0.00 N ATOM 299 CA ARG A 24 17.815 3.900 9.674 1.00 0.00 C ATOM 300 C ARG A 24 17.380 5.195 8.993 1.00 0.00 C ATOM 301 O ARG A 24 16.189 5.439 8.804 1.00 0.00 O ATOM 302 CB ARG A 24 18.757 3.120 8.756 1.00 0.00 C ATOM 303 CG ARG A 24 19.744 2.238 9.503 1.00 0.00 C ATOM 304 CD ARG A 24 20.823 3.065 10.185 1.00 0.00 C ATOM 305 NE ARG A 24 21.637 2.261 11.093 1.00 0.00 N ATOM 306 CZ ARG A 24 22.527 1.364 10.683 1.00 0.00 C ATOM 307 NH1 ARG A 24 22.717 1.157 9.387 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.229 0.671 11.570 1.00 0.00 N ATOM 0 H ARG A 24 16.053 2.850 9.239 1.00 0.00 H new ATOM 0 HA ARG A 24 18.343 4.153 10.594 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.164 2.499 8.084 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.310 3.824 8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.213 1.645 10.248 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.206 1.537 8.808 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.464 3.519 9.429 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.358 3.880 10.740 1.00 0.00 H new ATOM 0 HE ARG A 24 21.515 2.396 12.097 1.00 0.00 H new ATOM 0 HH11 ARG A 24 22.179 1.687 8.702 1.00 0.00 H new ATOM 0 HH12 ARG A 24 23.401 0.468 9.076 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.086 0.827 12.568 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.912 -0.018 11.254 1.00 0.00 H new ATOM 322 N GLY A 25 18.355 6.022 8.627 1.00 0.00 N ATOM 323 CA GLY A 25 18.052 7.281 7.972 1.00 0.00 C ATOM 324 C GLY A 25 19.029 7.604 6.858 1.00 0.00 C ATOM 325 O GLY A 25 18.632 8.077 5.794 1.00 0.00 O ATOM 0 H GLY A 25 19.349 5.843 8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.042 7.242 7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.068 8.084 8.709 1.00 0.00 H new ATOM 329 N ASP A 26 20.309 7.349 7.104 1.00 0.00 N ATOM 330 CA ASP A 26 21.346 7.616 6.113 1.00 0.00 C ATOM 331 C ASP A 26 21.085 6.834 4.830 1.00 0.00 C ATOM 332 O ASP A 26 21.566 7.203 3.759 1.00 0.00 O ATOM 333 CB ASP A 26 22.722 7.256 6.674 1.00 0.00 C ATOM 334 CG ASP A 26 23.428 8.449 7.288 1.00 0.00 C ATOM 335 OD1 ASP A 26 22.802 9.149 8.112 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.606 8.681 6.946 1.00 0.00 O ATOM 0 H ASP A 26 20.654 6.958 7.981 1.00 0.00 H new ATOM 0 HA ASP A 26 21.325 8.680 5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.611 6.476 7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.340 6.843 5.876 1.00 0.00 H new ATOM 341 N GLU A 27 20.321 5.752 4.946 1.00 0.00 N ATOM 342 CA GLU A 27 19.999 4.917 3.795 1.00 0.00 C ATOM 343 C GLU A 27 18.818 5.494 3.019 1.00 0.00 C ATOM 344 O GLU A 27 18.393 4.933 2.009 1.00 0.00 O ATOM 345 CB GLU A 27 19.680 3.490 4.245 1.00 0.00 C ATOM 346 CG GLU A 27 20.914 2.642 4.501 1.00 0.00 C ATOM 347 CD GLU A 27 20.739 1.696 5.673 1.00 0.00 C ATOM 348 OE1 GLU A 27 19.886 0.789 5.581 1.00 0.00 O ATOM 349 OE2 GLU A 27 21.456 1.862 6.682 1.00 0.00 O ATOM 0 H GLU A 27 19.914 5.433 5.825 1.00 0.00 H new ATOM 0 HA GLU A 27 20.869 4.896 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.082 3.530 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.069 3.006 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.146 2.066 3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.766 3.295 4.690 1.00 0.00 H new ATOM 356 N ASP A 28 18.294 6.616 3.498 1.00 0.00 N ATOM 357 CA ASP A 28 17.163 7.270 2.850 1.00 0.00 C ATOM 358 C ASP A 28 17.419 7.443 1.356 1.00 0.00 C ATOM 359 O ASP A 28 16.483 7.488 0.557 1.00 0.00 O ATOM 360 CB ASP A 28 16.894 8.630 3.496 1.00 0.00 C ATOM 361 CG ASP A 28 18.038 9.604 3.293 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.200 9.209 3.524 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.772 10.760 2.903 1.00 0.00 O ATOM 0 H ASP A 28 18.634 7.092 4.333 1.00 0.00 H new ATOM 0 HA ASP A 28 16.285 6.636 2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.981 9.054 3.077 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.722 8.494 4.564 1.00 0.00 H new ATOM 368 N ASP A 29 18.691 7.542 0.987 1.00 0.00 N ATOM 369 CA ASP A 29 19.070 7.711 -0.411 1.00 0.00 C ATOM 370 C ASP A 29 18.402 6.655 -1.287 1.00 0.00 C ATOM 371 O ASP A 29 18.140 6.887 -2.467 1.00 0.00 O ATOM 372 CB ASP A 29 20.590 7.630 -0.563 1.00 0.00 C ATOM 373 CG ASP A 29 21.204 8.959 -0.955 1.00 0.00 C ATOM 374 OD1 ASP A 29 20.760 9.543 -1.965 1.00 0.00 O ATOM 375 OD2 ASP A 29 22.130 9.416 -0.251 1.00 0.00 O ATOM 0 H ASP A 29 19.477 7.508 1.636 1.00 0.00 H new ATOM 0 HA ASP A 29 18.732 8.695 -0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.029 7.293 0.376 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.838 6.882 -1.317 1.00 0.00 H new ATOM 380 N LYS A 30 18.130 5.494 -0.701 1.00 0.00 N ATOM 381 CA LYS A 30 17.492 4.401 -1.426 1.00 0.00 C ATOM 382 C LYS A 30 16.214 3.955 -0.724 1.00 0.00 C ATOM 383 O LYS A 30 15.853 2.777 -0.759 1.00 0.00 O ATOM 384 CB LYS A 30 18.455 3.219 -1.557 1.00 0.00 C ATOM 385 CG LYS A 30 19.525 3.420 -2.616 1.00 0.00 C ATOM 386 CD LYS A 30 20.482 2.241 -2.673 1.00 0.00 C ATOM 387 CE LYS A 30 20.735 1.798 -4.106 1.00 0.00 C ATOM 388 NZ LYS A 30 21.135 2.937 -4.977 1.00 0.00 N ATOM 0 H LYS A 30 18.342 5.285 0.275 1.00 0.00 H new ATOM 0 HA LYS A 30 17.231 4.761 -2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.936 3.045 -0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.885 2.321 -1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.054 3.555 -3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.082 4.332 -2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.427 2.515 -2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.071 1.409 -2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.517 1.039 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.834 1.334 -4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.704 2.583 -5.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.284 3.409 -5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.697 3.616 -4.425 1.00 0.00 H new ATOM 402 N LEU A 31 15.532 4.901 -0.088 1.00 0.00 N ATOM 403 CA LEU A 31 14.293 4.605 0.622 1.00 0.00 C ATOM 404 C LEU A 31 13.094 4.693 -0.317 1.00 0.00 C ATOM 405 O LEU A 31 13.006 5.599 -1.147 1.00 0.00 O ATOM 406 CB LEU A 31 14.109 5.571 1.794 1.00 0.00 C ATOM 407 CG LEU A 31 14.318 4.981 3.189 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.093 6.041 4.256 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.392 3.794 3.410 1.00 0.00 C ATOM 0 H LEU A 31 15.816 5.880 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 31 14.358 3.587 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.802 6.403 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.102 5.984 1.743 1.00 0.00 H new ATOM 0 HG LEU A 31 15.348 4.632 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.246 5.603 5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.797 6.860 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.074 6.421 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.554 3.387 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.356 4.118 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.602 3.026 2.666 1.00 0.00 H new ATOM 421 N LEU A 32 12.171 3.747 -0.179 1.00 0.00 N ATOM 422 CA LEU A 32 10.974 3.719 -1.014 1.00 0.00 C ATOM 423 C LEU A 32 9.780 4.311 -0.273 1.00 0.00 C ATOM 424 O LEU A 32 9.744 4.326 0.958 1.00 0.00 O ATOM 425 CB LEU A 32 10.662 2.284 -1.443 1.00 0.00 C ATOM 426 CG LEU A 32 11.537 1.713 -2.560 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.941 1.433 -2.048 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.913 0.447 -3.131 1.00 0.00 C ATOM 0 H LEU A 32 12.228 2.990 0.502 1.00 0.00 H new ATOM 0 HA LEU A 32 11.164 4.324 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.753 1.637 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.622 2.240 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 32 11.604 2.453 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.549 1.027 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.388 2.359 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.894 0.711 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.549 0.054 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.815 -0.298 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.928 0.678 -3.536 1.00 0.00 H new ATOM 440 N PHE A 33 8.802 4.796 -1.031 1.00 0.00 N ATOM 441 CA PHE A 33 7.604 5.388 -0.446 1.00 0.00 C ATOM 442 C PHE A 33 6.356 4.614 -0.861 1.00 0.00 C ATOM 443 O PHE A 33 6.133 4.362 -2.046 1.00 0.00 O ATOM 444 CB PHE A 33 7.474 6.853 -0.871 1.00 0.00 C ATOM 445 CG PHE A 33 8.752 7.631 -0.738 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.427 7.678 0.471 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.278 8.315 -1.822 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.602 8.394 0.596 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.453 9.033 -1.703 1.00 0.00 C ATOM 450 CZ PHE A 33 11.117 9.071 -0.492 1.00 0.00 C ATOM 0 H PHE A 33 8.815 4.791 -2.051 1.00 0.00 H new ATOM 0 HA PHE A 33 7.697 5.338 0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.139 6.894 -1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.702 7.331 -0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.030 7.149 1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.764 8.287 -2.771 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.118 8.424 1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.851 9.563 -2.555 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.037 9.629 -0.396 1.00 0.00 H new ATOM 460 N CYS A 34 5.546 4.239 0.123 1.00 0.00 N ATOM 461 CA CYS A 34 4.321 3.493 -0.137 1.00 0.00 C ATOM 462 C CYS A 34 3.186 4.432 -0.536 1.00 0.00 C ATOM 463 O CYS A 34 3.031 5.512 0.034 1.00 0.00 O ATOM 464 CB CYS A 34 3.919 2.685 1.098 1.00 0.00 C ATOM 465 SG CYS A 34 2.283 1.893 0.969 1.00 0.00 S ATOM 0 H CYS A 34 5.716 4.440 1.108 1.00 0.00 H new ATOM 0 HA CYS A 34 4.511 2.809 -0.964 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.670 1.915 1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.925 3.343 1.967 1.00 0.00 H new ATOM 0 HG CYS A 34 2.283 0.785 1.648 1.00 0.00 H new ATOM 470 N ASP A 35 2.396 4.012 -1.519 1.00 0.00 N ATOM 471 CA ASP A 35 1.275 4.814 -1.993 1.00 0.00 C ATOM 472 C ASP A 35 -0.004 4.460 -1.240 1.00 0.00 C ATOM 473 O ASP A 35 -1.063 4.287 -1.842 1.00 0.00 O ATOM 474 CB ASP A 35 1.071 4.606 -3.495 1.00 0.00 C ATOM 475 CG ASP A 35 0.042 5.555 -4.076 1.00 0.00 C ATOM 476 OD1 ASP A 35 0.068 6.751 -3.718 1.00 0.00 O ATOM 477 OD2 ASP A 35 -0.791 5.102 -4.889 1.00 0.00 O ATOM 0 H ASP A 35 2.512 3.121 -2.002 1.00 0.00 H new ATOM 0 HA ASP A 35 1.506 5.863 -1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.021 4.745 -4.011 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.757 3.578 -3.677 1.00 0.00 H new ATOM 482 N GLY A 36 0.104 4.353 0.081 1.00 0.00 N ATOM 483 CA GLY A 36 -1.051 4.019 0.894 1.00 0.00 C ATOM 484 C GLY A 36 -0.882 4.439 2.340 1.00 0.00 C ATOM 485 O GLY A 36 -1.830 4.904 2.975 1.00 0.00 O ATOM 0 H GLY A 36 0.970 4.492 0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.936 4.502 0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.225 2.944 0.849 1.00 0.00 H new ATOM 489 N CYS A 37 0.327 4.274 2.866 1.00 0.00 N ATOM 490 CA CYS A 37 0.618 4.638 4.247 1.00 0.00 C ATOM 491 C CYS A 37 1.801 5.598 4.320 1.00 0.00 C ATOM 492 O CYS A 37 2.172 6.062 5.398 1.00 0.00 O ATOM 493 CB CYS A 37 0.912 3.385 5.075 1.00 0.00 C ATOM 494 SG CYS A 37 2.416 2.492 4.563 1.00 0.00 S ATOM 0 H CYS A 37 1.122 3.890 2.355 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.259 5.139 4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.010 3.669 6.123 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.060 2.709 5.007 1.00 0.00 H new ATOM 0 HG CYS A 37 2.376 2.273 3.282 1.00 0.00 H new ATOM 499 N ASP A 38 2.389 5.892 3.165 1.00 0.00 N ATOM 500 CA ASP A 38 3.529 6.799 3.097 1.00 0.00 C ATOM 501 C ASP A 38 4.615 6.381 4.083 1.00 0.00 C ATOM 502 O ASP A 38 5.020 7.163 4.943 1.00 0.00 O ATOM 503 CB ASP A 38 3.085 8.234 3.386 1.00 0.00 C ATOM 504 CG ASP A 38 4.137 9.254 2.999 1.00 0.00 C ATOM 505 OD1 ASP A 38 5.069 8.891 2.251 1.00 0.00 O ATOM 506 OD2 ASP A 38 4.030 10.416 3.445 1.00 0.00 O ATOM 0 H ASP A 38 2.095 5.516 2.264 1.00 0.00 H new ATOM 0 HA ASP A 38 3.940 6.751 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.163 8.443 2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.859 8.334 4.448 1.00 0.00 H new ATOM 511 N ASP A 39 5.082 5.144 3.952 1.00 0.00 N ATOM 512 CA ASP A 39 6.121 4.622 4.831 1.00 0.00 C ATOM 513 C ASP A 39 7.477 4.624 4.131 1.00 0.00 C ATOM 514 O ASP A 39 7.590 5.036 2.978 1.00 0.00 O ATOM 515 CB ASP A 39 5.770 3.205 5.286 1.00 0.00 C ATOM 516 CG ASP A 39 4.947 3.192 6.559 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.399 4.253 6.921 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.852 2.120 7.194 1.00 0.00 O ATOM 0 H ASP A 39 4.757 4.484 3.245 1.00 0.00 H new ATOM 0 HA ASP A 39 6.182 5.271 5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.217 2.699 4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.688 2.640 5.445 1.00 0.00 H new ATOM 523 N ASN A 40 8.503 4.162 4.839 1.00 0.00 N ATOM 524 CA ASN A 40 9.852 4.112 4.286 1.00 0.00 C ATOM 525 C ASN A 40 10.410 2.693 4.340 1.00 0.00 C ATOM 526 O ASN A 40 10.500 2.091 5.410 1.00 0.00 O ATOM 527 CB ASN A 40 10.774 5.065 5.049 1.00 0.00 C ATOM 528 CG ASN A 40 10.053 6.312 5.523 1.00 0.00 C ATOM 529 OD1 ASN A 40 10.046 6.624 6.714 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.442 7.032 4.589 1.00 0.00 N ATOM 0 H ASN A 40 8.426 3.817 5.796 1.00 0.00 H new ATOM 0 HA ASN A 40 9.802 4.424 3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.198 4.545 5.908 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.607 5.352 4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.941 7.882 4.847 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.474 6.735 3.614 1.00 0.00 H new ATOM 537 N TYR A 41 10.783 2.166 3.179 1.00 0.00 N ATOM 538 CA TYR A 41 11.331 0.817 3.094 1.00 0.00 C ATOM 539 C TYR A 41 12.497 0.764 2.112 1.00 0.00 C ATOM 540 O TYR A 41 12.409 1.277 0.996 1.00 0.00 O ATOM 541 CB TYR A 41 10.244 -0.171 2.666 1.00 0.00 C ATOM 542 CG TYR A 41 9.213 -0.438 3.738 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.400 -1.448 4.674 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.051 0.320 3.817 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.460 -1.696 5.655 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.106 0.080 4.796 1.00 0.00 C ATOM 547 CZ TYR A 41 7.315 -0.930 5.712 1.00 0.00 C ATOM 548 OH TYR A 41 6.376 -1.173 6.689 1.00 0.00 O ATOM 0 H TYR A 41 10.716 2.652 2.285 1.00 0.00 H new ATOM 0 HA TYR A 41 11.698 0.538 4.082 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.742 0.216 1.779 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.713 -1.113 2.382 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.296 -2.050 4.634 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.884 1.111 3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.621 -2.486 6.374 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.209 0.680 4.844 1.00 0.00 H new ATOM 0 HH TYR A 41 5.630 -0.545 6.590 1.00 0.00 H new ATOM 558 N HIS A 42 13.591 0.139 2.536 1.00 0.00 N ATOM 559 CA HIS A 42 14.777 0.017 1.694 1.00 0.00 C ATOM 560 C HIS A 42 14.593 -1.084 0.654 1.00 0.00 C ATOM 561 O HIS A 42 13.549 -1.734 0.602 1.00 0.00 O ATOM 562 CB HIS A 42 16.008 -0.275 2.552 1.00 0.00 C ATOM 563 CG HIS A 42 16.364 0.838 3.488 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.000 0.633 4.694 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.171 2.174 3.389 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.181 1.794 5.298 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.687 2.746 4.526 1.00 0.00 N ATOM 0 H HIS A 42 13.681 -0.291 3.457 1.00 0.00 H new ATOM 0 HA HIS A 42 14.923 0.963 1.173 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.831 -1.182 3.130 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.857 -0.474 1.898 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.699 2.694 2.568 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.652 1.940 6.259 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.689 3.743 4.740 1.00 0.00 H new ATOM 575 N ILE A 43 15.614 -1.286 -0.173 1.00 0.00 N ATOM 576 CA ILE A 43 15.565 -2.308 -1.211 1.00 0.00 C ATOM 577 C ILE A 43 16.198 -3.609 -0.731 1.00 0.00 C ATOM 578 O ILE A 43 15.981 -4.670 -1.317 1.00 0.00 O ATOM 579 CB ILE A 43 16.281 -1.843 -2.492 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.755 -1.554 -2.202 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.597 -0.611 -3.065 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.592 -1.373 -3.449 1.00 0.00 C ATOM 0 H ILE A 43 16.485 -0.755 -0.144 1.00 0.00 H new ATOM 0 HA ILE A 43 14.512 -2.481 -1.435 1.00 0.00 H new ATOM 0 HB ILE A 43 16.225 -2.642 -3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.827 -0.654 -1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.168 -2.372 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 43 16.115 -0.295 -3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.561 -0.849 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.624 0.195 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.625 -1.171 -3.167 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.550 -2.281 -4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.204 -0.536 -4.029 1.00 0.00 H new ATOM 594 N PHE A 44 16.979 -3.521 0.340 1.00 0.00 N ATOM 595 CA PHE A 44 17.644 -4.692 0.900 1.00 0.00 C ATOM 596 C PHE A 44 17.037 -5.070 2.248 1.00 0.00 C ATOM 597 O PHE A 44 17.614 -5.850 3.006 1.00 0.00 O ATOM 598 CB PHE A 44 19.142 -4.428 1.059 1.00 0.00 C ATOM 599 CG PHE A 44 19.452 -3.108 1.707 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.560 -1.956 0.945 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.636 -3.020 3.077 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.846 -0.741 1.538 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.922 -1.808 3.676 1.00 0.00 C ATOM 604 CZ PHE A 44 20.026 -0.667 2.906 1.00 0.00 C ATOM 0 H PHE A 44 17.167 -2.651 0.838 1.00 0.00 H new ATOM 0 HA PHE A 44 17.500 -5.524 0.210 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.583 -5.228 1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.615 -4.462 0.078 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.419 -2.008 -0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.555 -3.909 3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.929 0.150 0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.064 -1.753 4.745 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.248 0.282 3.372 1.00 0.00 H new ATOM 614 N CYS A 45 15.868 -4.510 2.541 1.00 0.00 N ATOM 615 CA CYS A 45 15.181 -4.785 3.797 1.00 0.00 C ATOM 616 C CYS A 45 13.905 -5.585 3.555 1.00 0.00 C ATOM 617 O CYS A 45 13.418 -6.283 4.446 1.00 0.00 O ATOM 618 CB CYS A 45 14.847 -3.477 4.517 1.00 0.00 C ATOM 619 SG CYS A 45 16.251 -2.744 5.416 1.00 0.00 S ATOM 0 H CYS A 45 15.376 -3.862 1.925 1.00 0.00 H new ATOM 0 HA CYS A 45 15.847 -5.377 4.424 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.481 -2.756 3.786 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.034 -3.659 5.220 1.00 0.00 H new ATOM 0 HG CYS A 45 16.301 -1.467 5.176 1.00 0.00 H new ATOM 624 N LEU A 46 13.367 -5.480 2.345 1.00 0.00 N ATOM 625 CA LEU A 46 12.147 -6.194 1.985 1.00 0.00 C ATOM 626 C LEU A 46 12.405 -7.693 1.877 1.00 0.00 C ATOM 627 O LEU A 46 13.467 -8.181 2.267 1.00 0.00 O ATOM 628 CB LEU A 46 11.595 -5.663 0.661 1.00 0.00 C ATOM 629 CG LEU A 46 11.525 -4.142 0.524 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.451 -3.741 -0.942 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.330 -3.592 1.289 1.00 0.00 C ATOM 0 H LEU A 46 13.757 -4.907 1.596 1.00 0.00 H new ATOM 0 HA LEU A 46 11.411 -6.027 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.212 -6.053 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.592 -6.067 0.521 1.00 0.00 H new ATOM 0 HG LEU A 46 12.433 -3.716 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.402 -2.655 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.337 -4.102 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.561 -4.178 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.296 -2.508 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.412 -4.026 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.424 -3.848 2.344 1.00 0.00 H new ATOM 643 N LEU A 47 11.429 -8.419 1.344 1.00 0.00 N ATOM 644 CA LEU A 47 11.551 -9.864 1.183 1.00 0.00 C ATOM 645 C LEU A 47 10.406 -10.416 0.341 1.00 0.00 C ATOM 646 O LEU A 47 9.267 -10.531 0.795 1.00 0.00 O ATOM 647 CB LEU A 47 11.570 -10.550 2.550 1.00 0.00 C ATOM 648 CG LEU A 47 12.541 -11.722 2.699 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.035 -11.827 4.134 1.00 0.00 C ATOM 650 CD2 LEU A 47 11.879 -13.021 2.264 1.00 0.00 C ATOM 0 H LEU A 47 10.544 -8.031 1.016 1.00 0.00 H new ATOM 0 HA LEU A 47 12.489 -10.069 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.814 -9.803 3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.564 -10.908 2.769 1.00 0.00 H new ATOM 0 HG LEU A 47 13.400 -11.542 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.725 -12.666 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.548 -10.906 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.187 -11.984 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.584 -13.844 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.002 -13.207 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.576 -12.943 1.220 1.00 0.00 H new ATOM 662 N PRO A 48 10.712 -10.769 -0.917 1.00 0.00 N ATOM 663 CA PRO A 48 12.063 -10.637 -1.469 1.00 0.00 C ATOM 664 C PRO A 48 12.465 -9.180 -1.676 1.00 0.00 C ATOM 665 O PRO A 48 11.635 -8.317 -1.961 1.00 0.00 O ATOM 666 CB PRO A 48 11.970 -11.362 -2.814 1.00 0.00 C ATOM 667 CG PRO A 48 10.530 -11.280 -3.189 1.00 0.00 C ATOM 668 CD PRO A 48 9.763 -11.324 -1.896 1.00 0.00 C ATOM 0 HA PRO A 48 12.818 -11.048 -0.799 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.602 -10.887 -3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.299 -12.398 -2.729 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.321 -10.361 -3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.248 -12.109 -3.839 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.850 -10.732 -1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.468 -12.341 -1.638 1.00 0.00 H new ATOM 676 N PRO A 49 13.768 -8.898 -1.530 1.00 0.00 N ATOM 677 CA PRO A 49 14.309 -7.546 -1.698 1.00 0.00 C ATOM 678 C PRO A 49 14.270 -7.082 -3.150 1.00 0.00 C ATOM 679 O PRO A 49 14.005 -7.872 -4.058 1.00 0.00 O ATOM 680 CB PRO A 49 15.756 -7.681 -1.218 1.00 0.00 C ATOM 681 CG PRO A 49 16.091 -9.118 -1.423 1.00 0.00 C ATOM 682 CD PRO A 49 14.814 -9.878 -1.191 1.00 0.00 C ATOM 0 HA PRO A 49 13.730 -6.804 -1.148 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.424 -7.034 -1.787 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.854 -7.397 -0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.470 -9.290 -2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 49 16.868 -9.440 -0.730 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.754 -10.765 -1.822 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.729 -10.215 -0.158 1.00 0.00 H new ATOM 690 N LEU A 50 14.538 -5.799 -3.363 1.00 0.00 N ATOM 691 CA LEU A 50 14.534 -5.229 -4.706 1.00 0.00 C ATOM 692 C LEU A 50 15.937 -4.795 -5.117 1.00 0.00 C ATOM 693 O LEU A 50 16.817 -4.581 -4.283 1.00 0.00 O ATOM 694 CB LEU A 50 13.579 -4.037 -4.773 1.00 0.00 C ATOM 695 CG LEU A 50 12.097 -4.372 -4.949 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.244 -3.123 -4.787 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.853 -5.015 -6.306 1.00 0.00 C ATOM 0 H LEU A 50 14.761 -5.133 -2.623 1.00 0.00 H new ATOM 0 HA LEU A 50 14.194 -5.998 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.693 -3.454 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.887 -3.397 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 50 11.811 -5.085 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.193 -3.381 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.396 -2.705 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.531 -2.386 -5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.793 -5.247 -6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.156 -4.326 -7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.435 -5.934 -6.383 1.00 0.00 H new ATOM 709 N PRO A 51 16.153 -4.660 -6.434 1.00 0.00 N ATOM 710 CA PRO A 51 17.447 -4.247 -6.986 1.00 0.00 C ATOM 711 C PRO A 51 17.767 -2.787 -6.684 1.00 0.00 C ATOM 712 O PRO A 51 18.909 -2.443 -6.382 1.00 0.00 O ATOM 713 CB PRO A 51 17.272 -4.456 -8.493 1.00 0.00 C ATOM 714 CG PRO A 51 15.805 -4.348 -8.723 1.00 0.00 C ATOM 715 CD PRO A 51 15.150 -4.899 -7.486 1.00 0.00 C ATOM 0 HA PRO A 51 18.273 -4.813 -6.556 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.818 -3.704 -9.063 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.651 -5.430 -8.804 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.512 -3.312 -8.891 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.506 -4.911 -9.607 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.211 -4.391 -7.268 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.922 -5.960 -7.590 1.00 0.00 H new ATOM 723 N GLU A 52 16.751 -1.934 -6.769 1.00 0.00 N ATOM 724 CA GLU A 52 16.926 -0.511 -6.504 1.00 0.00 C ATOM 725 C GLU A 52 15.583 0.213 -6.511 1.00 0.00 C ATOM 726 O GLU A 52 14.535 -0.403 -6.705 1.00 0.00 O ATOM 727 CB GLU A 52 17.859 0.113 -7.544 1.00 0.00 C ATOM 728 CG GLU A 52 17.295 0.099 -8.955 1.00 0.00 C ATOM 729 CD GLU A 52 18.367 -0.085 -10.011 1.00 0.00 C ATOM 730 OE1 GLU A 52 18.711 -1.247 -10.312 1.00 0.00 O ATOM 731 OE2 GLU A 52 18.862 0.934 -10.536 1.00 0.00 O ATOM 0 H GLU A 52 15.799 -2.203 -7.019 1.00 0.00 H new ATOM 0 HA GLU A 52 17.372 -0.404 -5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.072 1.143 -7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.808 -0.423 -7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.564 -0.704 -9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.765 1.034 -9.140 1.00 0.00 H new ATOM 738 N ILE A 53 15.623 1.524 -6.298 1.00 0.00 N ATOM 739 CA ILE A 53 14.410 2.332 -6.281 1.00 0.00 C ATOM 740 C ILE A 53 13.568 2.087 -7.528 1.00 0.00 C ATOM 741 O ILE A 53 14.063 2.109 -8.655 1.00 0.00 O ATOM 742 CB ILE A 53 14.735 3.834 -6.181 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.168 4.191 -4.757 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.532 4.666 -6.599 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.047 4.106 -3.746 1.00 0.00 C ATOM 0 H ILE A 53 16.482 2.049 -6.135 1.00 0.00 H new ATOM 0 HA ILE A 53 13.844 2.032 -5.399 1.00 0.00 H new ATOM 0 HB ILE A 53 15.559 4.058 -6.858 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.973 3.522 -4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.575 5.202 -4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.778 5.725 -6.523 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.266 4.429 -7.629 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.689 4.441 -5.945 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.426 4.372 -2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.251 4.795 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.655 3.089 -3.722 1.00 0.00 H new ATOM 757 N PRO A 54 12.264 1.850 -7.325 1.00 0.00 N ATOM 758 CA PRO A 54 11.324 1.599 -8.422 1.00 0.00 C ATOM 759 C PRO A 54 11.067 2.846 -9.261 1.00 0.00 C ATOM 760 O PRO A 54 11.502 3.943 -8.910 1.00 0.00 O ATOM 761 CB PRO A 54 10.045 1.166 -7.701 1.00 0.00 C ATOM 762 CG PRO A 54 10.141 1.789 -6.351 1.00 0.00 C ATOM 763 CD PRO A 54 11.605 1.809 -6.008 1.00 0.00 C ATOM 0 HA PRO A 54 11.705 0.858 -9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.156 1.507 -8.232 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.978 0.080 -7.632 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.727 2.798 -6.356 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.576 1.216 -5.616 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.864 2.677 -5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.897 0.926 -5.440 1.00 0.00 H new ATOM 771 N ARG A 55 10.358 2.670 -10.372 1.00 0.00 N ATOM 772 CA ARG A 55 10.043 3.781 -11.261 1.00 0.00 C ATOM 773 C ARG A 55 8.662 4.350 -10.953 1.00 0.00 C ATOM 774 O ARG A 55 8.538 5.426 -10.369 1.00 0.00 O ATOM 775 CB ARG A 55 10.106 3.327 -12.721 1.00 0.00 C ATOM 776 CG ARG A 55 11.408 3.690 -13.416 1.00 0.00 C ATOM 777 CD ARG A 55 11.161 4.532 -14.658 1.00 0.00 C ATOM 778 NE ARG A 55 12.260 4.432 -15.615 1.00 0.00 N ATOM 779 CZ ARG A 55 13.394 5.114 -15.505 1.00 0.00 C ATOM 780 NH1 ARG A 55 13.577 5.942 -14.486 1.00 0.00 N ATOM 781 NH2 ARG A 55 14.347 4.970 -16.416 1.00 0.00 N ATOM 0 H ARG A 55 9.991 1.768 -10.677 1.00 0.00 H new ATOM 0 HA ARG A 55 10.783 4.564 -11.099 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.971 2.246 -12.763 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.275 3.774 -13.268 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.050 4.238 -12.726 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.940 2.780 -13.692 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.235 4.211 -15.135 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.026 5.574 -14.368 1.00 0.00 H new ATOM 0 HE ARG A 55 12.150 3.804 -16.411 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.846 6.056 -13.784 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.449 6.465 -14.404 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.209 4.335 -17.202 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.218 5.494 -16.331 1.00 0.00 H new ATOM 795 N GLY A 56 7.624 3.620 -11.352 1.00 0.00 N ATOM 796 CA GLY A 56 6.265 4.069 -11.110 1.00 0.00 C ATOM 797 C GLY A 56 5.912 4.080 -9.636 1.00 0.00 C ATOM 798 O GLY A 56 6.756 4.380 -8.791 1.00 0.00 O ATOM 0 H GLY A 56 7.700 2.727 -11.838 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.139 5.072 -11.518 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.571 3.419 -11.642 1.00 0.00 H new ATOM 802 N ILE A 57 4.661 3.755 -9.327 1.00 0.00 N ATOM 803 CA ILE A 57 4.199 3.730 -7.945 1.00 0.00 C ATOM 804 C ILE A 57 4.581 2.422 -7.261 1.00 0.00 C ATOM 805 O ILE A 57 4.353 1.338 -7.799 1.00 0.00 O ATOM 806 CB ILE A 57 2.672 3.914 -7.858 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.264 5.260 -8.461 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.207 3.811 -6.413 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.767 5.434 -8.591 1.00 0.00 C ATOM 0 H ILE A 57 3.950 3.506 -10.015 1.00 0.00 H new ATOM 0 HA ILE A 57 4.687 4.561 -7.435 1.00 0.00 H new ATOM 0 HB ILE A 57 2.192 3.120 -8.430 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.663 6.063 -7.841 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.720 5.361 -9.446 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.126 3.943 -6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.469 2.831 -6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.692 4.585 -5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.551 6.410 -9.025 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.364 4.653 -9.236 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.306 5.365 -7.606 1.00 0.00 H new ATOM 821 N TRP A 58 5.163 2.531 -6.072 1.00 0.00 N ATOM 822 CA TRP A 58 5.576 1.356 -5.312 1.00 0.00 C ATOM 823 C TRP A 58 4.821 1.269 -3.990 1.00 0.00 C ATOM 824 O TRP A 58 4.598 2.281 -3.325 1.00 0.00 O ATOM 825 CB TRP A 58 7.082 1.395 -5.052 1.00 0.00 C ATOM 826 CG TRP A 58 7.569 0.255 -4.210 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.078 -0.932 -4.652 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.591 0.195 -2.779 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.415 -1.727 -3.583 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.127 -1.058 -2.423 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.213 1.078 -1.765 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.291 -1.448 -1.096 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.376 0.690 -0.449 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.912 -0.563 -0.124 1.00 0.00 C ATOM 0 H TRP A 58 5.360 3.421 -5.613 1.00 0.00 H new ATOM 0 HA TRP A 58 5.339 0.471 -5.902 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.609 1.383 -6.006 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.334 2.334 -4.560 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.198 -1.206 -5.690 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.815 -2.663 -3.644 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.801 2.047 -2.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.702 -2.414 -0.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.085 1.364 0.343 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.028 -0.836 0.915 1.00 0.00 H new ATOM 845 N ARG A 59 4.431 0.056 -3.615 1.00 0.00 N ATOM 846 CA ARG A 59 3.701 -0.162 -2.372 1.00 0.00 C ATOM 847 C ARG A 59 4.489 -1.065 -1.428 1.00 0.00 C ATOM 848 O ARG A 59 5.388 -1.791 -1.854 1.00 0.00 O ATOM 849 CB ARG A 59 2.331 -0.780 -2.662 1.00 0.00 C ATOM 850 CG ARG A 59 1.175 0.191 -2.486 1.00 0.00 C ATOM 851 CD ARG A 59 -0.071 -0.513 -1.974 1.00 0.00 C ATOM 852 NE ARG A 59 -1.176 -0.431 -2.926 1.00 0.00 N ATOM 853 CZ ARG A 59 -2.309 -1.112 -2.797 1.00 0.00 C ATOM 854 NH1 ARG A 59 -2.485 -1.922 -1.763 1.00 0.00 N ATOM 855 NH2 ARG A 59 -3.268 -0.984 -3.705 1.00 0.00 N ATOM 0 H ARG A 59 4.608 -0.792 -4.154 1.00 0.00 H new ATOM 0 HA ARG A 59 3.561 0.805 -1.888 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.322 -1.161 -3.683 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.180 -1.634 -2.002 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.462 0.978 -1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.956 0.674 -3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.160 -1.560 -1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.375 -0.068 -1.026 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.072 0.183 -3.734 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.749 -2.024 -1.064 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.356 -2.444 -1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.135 -0.362 -4.503 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.138 -1.507 -3.605 1.00 0.00 H new ATOM 869 N CYS A 60 4.147 -1.015 -0.145 1.00 0.00 N ATOM 870 CA CYS A 60 4.822 -1.827 0.859 1.00 0.00 C ATOM 871 C CYS A 60 4.055 -3.120 1.119 1.00 0.00 C ATOM 872 O CYS A 60 2.859 -3.227 0.846 1.00 0.00 O ATOM 873 CB CYS A 60 4.975 -1.041 2.163 1.00 0.00 C ATOM 874 SG CYS A 60 3.452 -0.951 3.159 1.00 0.00 S ATOM 0 H CYS A 60 3.405 -0.420 0.224 1.00 0.00 H new ATOM 0 HA CYS A 60 5.811 -2.082 0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.761 -1.500 2.762 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.303 -0.029 1.928 1.00 0.00 H new ATOM 0 HG CYS A 60 3.259 0.275 3.548 1.00 0.00 H new ATOM 879 N PRO A 61 4.758 -4.127 1.659 1.00 0.00 N ATOM 880 CA PRO A 61 4.163 -5.431 1.969 1.00 0.00 C ATOM 881 C PRO A 61 3.183 -5.359 3.135 1.00 0.00 C ATOM 882 O PRO A 61 2.285 -6.192 3.257 1.00 0.00 O ATOM 883 CB PRO A 61 5.373 -6.293 2.339 1.00 0.00 C ATOM 884 CG PRO A 61 6.398 -5.323 2.814 1.00 0.00 C ATOM 885 CD PRO A 61 6.187 -4.070 2.010 1.00 0.00 C ATOM 0 HA PRO A 61 3.582 -5.823 1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.122 -7.015 3.116 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.732 -6.860 1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.285 -5.126 3.880 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.404 -5.716 2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.423 -3.177 2.588 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.819 -4.051 1.122 1.00 0.00 H new ATOM 893 N LYS A 62 3.361 -4.358 3.990 1.00 0.00 N ATOM 894 CA LYS A 62 2.491 -4.175 5.146 1.00 0.00 C ATOM 895 C LYS A 62 1.101 -3.719 4.715 1.00 0.00 C ATOM 896 O LYS A 62 0.136 -3.837 5.469 1.00 0.00 O ATOM 897 CB LYS A 62 3.099 -3.154 6.111 1.00 0.00 C ATOM 898 CG LYS A 62 3.906 -3.784 7.233 1.00 0.00 C ATOM 899 CD LYS A 62 3.034 -4.098 8.438 1.00 0.00 C ATOM 900 CE LYS A 62 3.861 -4.623 9.602 1.00 0.00 C ATOM 901 NZ LYS A 62 3.494 -6.022 9.957 1.00 0.00 N ATOM 0 H LYS A 62 4.100 -3.660 3.904 1.00 0.00 H new ATOM 0 HA LYS A 62 2.397 -5.135 5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.741 -2.474 5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.299 -2.553 6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.376 -4.700 6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.708 -3.108 7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.500 -3.199 8.746 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.282 -4.837 8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.919 -4.579 9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.717 -3.979 10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.080 -6.343 10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.490 -6.060 10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.655 -6.642 9.138 1.00 0.00 H new ATOM 915 N CYS A 63 1.007 -3.197 3.496 1.00 0.00 N ATOM 916 CA CYS A 63 -0.265 -2.723 2.964 1.00 0.00 C ATOM 917 C CYS A 63 -0.846 -3.725 1.970 1.00 0.00 C ATOM 918 O CYS A 63 -2.047 -3.995 1.975 1.00 0.00 O ATOM 919 CB CYS A 63 -0.083 -1.363 2.286 1.00 0.00 C ATOM 920 SG CYS A 63 -0.040 0.044 3.442 1.00 0.00 S ATOM 0 H CYS A 63 1.796 -3.092 2.859 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.961 -2.617 3.796 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.843 -1.376 1.712 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.896 -1.211 1.576 1.00 0.00 H new ATOM 0 HG CYS A 63 1.186 0.451 3.585 1.00 0.00 H new ATOM 925 N ILE A 64 0.015 -4.273 1.120 1.00 0.00 N ATOM 926 CA ILE A 64 -0.412 -5.246 0.122 1.00 0.00 C ATOM 927 C ILE A 64 -0.882 -6.539 0.780 1.00 0.00 C ATOM 928 O ILE A 64 -1.923 -7.089 0.418 1.00 0.00 O ATOM 929 CB ILE A 64 0.722 -5.571 -0.869 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.203 -4.296 -1.563 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.254 -6.594 -1.893 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.571 -4.431 -2.195 1.00 0.00 C ATOM 0 H ILE A 64 1.012 -4.060 1.102 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.242 -4.795 -0.422 1.00 0.00 H new ATOM 0 HB ILE A 64 1.558 -5.998 -0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.483 -4.017 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.226 -3.483 -0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.066 -6.813 -2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.044 -7.510 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.596 -6.193 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.848 -3.489 -2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.304 -4.680 -1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.549 -5.221 -2.945 1.00 0.00 H new ATOM 944 N LEU A 65 -0.111 -7.017 1.750 1.00 0.00 N ATOM 945 CA LEU A 65 -0.449 -8.245 2.462 1.00 0.00 C ATOM 946 C LEU A 65 -1.732 -8.070 3.269 1.00 0.00 C ATOM 947 O LEU A 65 -2.355 -9.048 3.682 1.00 0.00 O ATOM 948 CB LEU A 65 0.697 -8.653 3.388 1.00 0.00 C ATOM 949 CG LEU A 65 2.014 -9.022 2.703 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.125 -9.174 3.730 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.854 -10.302 1.895 1.00 0.00 C ATOM 0 H LEU A 65 0.753 -6.573 2.062 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.609 -9.031 1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.888 -7.833 4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.370 -9.504 3.985 1.00 0.00 H new ATOM 0 HG LEU A 65 2.285 -8.216 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.054 -9.437 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.256 -8.234 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.862 -9.961 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.801 -10.550 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.559 -11.116 2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.087 -10.158 1.134 1.00 0.00 H new ATOM 963 N ALA A 66 -2.122 -6.818 3.487 1.00 0.00 N ATOM 964 CA ALA A 66 -3.333 -6.516 4.240 1.00 0.00 C ATOM 965 C ALA A 66 -4.542 -6.410 3.317 1.00 0.00 C ATOM 966 O ALA A 66 -5.605 -6.957 3.607 1.00 0.00 O ATOM 967 CB ALA A 66 -3.155 -5.228 5.030 1.00 0.00 C ATOM 0 H ALA A 66 -1.617 -5.997 3.153 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.512 -7.335 4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.067 -5.014 5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.322 -5.339 5.725 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.948 -4.406 4.344 1.00 0.00 H new ATOM 973 N GLU A 67 -4.371 -5.702 2.205 1.00 0.00 N ATOM 974 CA GLU A 67 -5.450 -5.523 1.240 1.00 0.00 C ATOM 975 C GLU A 67 -5.690 -6.806 0.449 1.00 0.00 C ATOM 976 O GLU A 67 -6.797 -7.054 -0.031 1.00 0.00 O ATOM 977 CB GLU A 67 -5.124 -4.375 0.283 1.00 0.00 C ATOM 978 CG GLU A 67 -5.213 -3.002 0.928 1.00 0.00 C ATOM 979 CD GLU A 67 -6.538 -2.771 1.628 1.00 0.00 C ATOM 980 OE1 GLU A 67 -7.586 -3.121 1.047 1.00 0.00 O ATOM 981 OE2 GLU A 67 -6.526 -2.240 2.759 1.00 0.00 O ATOM 0 H GLU A 67 -3.496 -5.243 1.950 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.359 -5.280 1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.118 -4.517 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.808 -4.414 -0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.402 -2.889 1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.071 -2.236 0.165 1.00 0.00 H new ATOM 988 N CYS A 68 -4.647 -7.617 0.318 1.00 0.00 N ATOM 989 CA CYS A 68 -4.743 -8.874 -0.416 1.00 0.00 C ATOM 990 C CYS A 68 -5.900 -9.720 0.104 1.00 0.00 C ATOM 991 O CYS A 68 -6.844 -10.018 -0.629 1.00 0.00 O ATOM 992 CB CYS A 68 -3.433 -9.656 -0.303 1.00 0.00 C ATOM 993 SG CYS A 68 -2.399 -9.583 -1.785 1.00 0.00 S ATOM 0 H CYS A 68 -3.725 -7.427 0.710 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.929 -8.641 -1.464 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.864 -9.271 0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.663 -10.699 -0.084 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.314 -10.272 -1.591 1.00 0.00 H new