USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=14 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= 0.908 USER MOD Set 1.2: A 37 CYS SG : rot -52:sc= 0.355 USER MOD Set 1.3: A 60 CYS SG : rot -133:sc= 0.419 USER MOD Set 1.4: A 63 CYS SG : rot 104:sc= 0.24 USER MOD Set 2.1: A 19 CYS SG : rot 146:sc= 0.621 USER MOD Set 2.2: A 22 CYS SG : rot -60:sc= 0.0384 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -3.13 X(o=-2.3,f=-2.4) USER MOD Set 2.4: A 45 CYS SG : rot 127:sc= 0.131 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0168 K(o=-0.017,f=-1.3) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= -0.0668 (180deg=-0.56) USER MOD Single : A 40 ASN : amide:sc= -2.73 X(o=-2.7,f=-3.2) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0101) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 16 11.322 13.394 9.163 1.00 0.00 N ATOM 184 CA SER A 16 12.245 12.664 8.301 1.00 0.00 C ATOM 185 C SER A 16 11.664 11.310 7.906 1.00 0.00 C ATOM 186 O SER A 16 10.556 10.956 8.310 1.00 0.00 O ATOM 187 CB SER A 16 13.588 12.469 9.007 1.00 0.00 C ATOM 188 OG SER A 16 14.660 12.498 8.081 1.00 0.00 O ATOM 0 HA SER A 16 12.400 13.251 7.396 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.727 13.251 9.753 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.588 11.517 9.539 1.00 0.00 H new ATOM 0 HG SER A 16 15.507 12.373 8.557 1.00 0.00 H new ATOM 194 N TYR A 17 12.419 10.558 7.114 1.00 0.00 N ATOM 195 CA TYR A 17 11.980 9.243 6.661 1.00 0.00 C ATOM 196 C TYR A 17 12.909 8.150 7.179 1.00 0.00 C ATOM 197 O TYR A 17 14.064 8.053 6.763 1.00 0.00 O ATOM 198 CB TYR A 17 11.924 9.199 5.134 1.00 0.00 C ATOM 199 CG TYR A 17 11.267 10.413 4.516 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.097 10.941 5.049 1.00 0.00 C ATOM 201 CD2 TYR A 17 11.817 11.033 3.401 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.494 12.050 4.488 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.221 12.143 2.834 1.00 0.00 C ATOM 204 CZ TYR A 17 10.059 12.647 3.381 1.00 0.00 C ATOM 205 OH TYR A 17 9.461 13.752 2.819 1.00 0.00 O ATOM 0 H TYR A 17 13.339 10.836 6.772 1.00 0.00 H new ATOM 0 HA TYR A 17 10.981 9.064 7.060 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.938 9.107 4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.381 8.306 4.824 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.652 10.476 5.916 1.00 0.00 H new ATOM 0 HD2 TYR A 17 12.726 10.640 2.970 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.585 12.447 4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.662 12.613 1.968 1.00 0.00 H new ATOM 0 HH TYR A 17 9.986 14.051 2.047 1.00 0.00 H new ATOM 215 N ILE A 18 12.396 7.328 8.089 1.00 0.00 N ATOM 216 CA ILE A 18 13.178 6.241 8.663 1.00 0.00 C ATOM 217 C ILE A 18 12.633 4.884 8.231 1.00 0.00 C ATOM 218 O ILE A 18 11.423 4.656 8.243 1.00 0.00 O ATOM 219 CB ILE A 18 13.193 6.309 10.202 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.507 7.731 10.668 1.00 0.00 C ATOM 221 CG2 ILE A 18 14.206 5.324 10.766 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.838 8.250 10.171 1.00 0.00 C ATOM 0 H ILE A 18 11.442 7.395 8.444 1.00 0.00 H new ATOM 0 HA ILE A 18 14.197 6.356 8.293 1.00 0.00 H new ATOM 0 HB ILE A 18 12.205 6.036 10.573 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.716 8.399 10.328 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.500 7.757 11.758 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.205 5.384 11.854 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.941 4.313 10.458 1.00 0.00 H new ATOM 0 HG23 ILE A 18 15.200 5.569 10.390 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.994 9.264 10.540 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.638 7.605 10.533 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.842 8.256 9.081 1.00 0.00 H new ATOM 234 N CYS A 19 13.534 3.984 7.850 1.00 0.00 N ATOM 235 CA CYS A 19 13.145 2.648 7.415 1.00 0.00 C ATOM 236 C CYS A 19 12.234 1.985 8.444 1.00 0.00 C ATOM 237 O CYS A 19 12.315 2.275 9.637 1.00 0.00 O ATOM 238 CB CYS A 19 14.385 1.784 7.183 1.00 0.00 C ATOM 239 SG CYS A 19 14.049 0.220 6.310 1.00 0.00 S ATOM 0 H CYS A 19 14.539 4.156 7.834 1.00 0.00 H new ATOM 0 HA CYS A 19 12.596 2.743 6.478 1.00 0.00 H new ATOM 0 HB2 CYS A 19 15.113 2.358 6.610 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.843 1.559 8.146 1.00 0.00 H new ATOM 0 HG CYS A 19 15.064 -0.083 5.556 1.00 0.00 H new ATOM 244 N GLN A 20 11.368 1.093 7.972 1.00 0.00 N ATOM 245 CA GLN A 20 10.442 0.389 8.851 1.00 0.00 C ATOM 246 C GLN A 20 10.915 -1.037 9.110 1.00 0.00 C ATOM 247 O GLN A 20 10.126 -1.907 9.477 1.00 0.00 O ATOM 248 CB GLN A 20 9.040 0.371 8.239 1.00 0.00 C ATOM 249 CG GLN A 20 8.176 1.548 8.662 1.00 0.00 C ATOM 250 CD GLN A 20 7.617 1.389 10.062 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.783 0.345 10.694 1.00 0.00 O ATOM 252 NE2 GLN A 20 6.949 2.425 10.554 1.00 0.00 N ATOM 0 H GLN A 20 11.289 0.841 6.987 1.00 0.00 H new ATOM 0 HA GLN A 20 10.409 0.919 9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.127 0.367 7.152 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.541 -0.556 8.522 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.766 2.463 8.612 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.353 1.661 7.957 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.836 3.271 9.995 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.549 2.375 11.491 1.00 0.00 H new ATOM 261 N VAL A 21 12.210 -1.270 8.916 1.00 0.00 N ATOM 262 CA VAL A 21 12.789 -2.591 9.130 1.00 0.00 C ATOM 263 C VAL A 21 14.081 -2.501 9.933 1.00 0.00 C ATOM 264 O VAL A 21 14.331 -3.317 10.821 1.00 0.00 O ATOM 265 CB VAL A 21 13.077 -3.301 7.793 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.659 -4.684 8.038 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.812 -3.386 6.953 1.00 0.00 C ATOM 0 H VAL A 21 12.877 -0.561 8.611 1.00 0.00 H new ATOM 0 HA VAL A 21 12.056 -3.171 9.691 1.00 0.00 H new ATOM 0 HB VAL A 21 13.813 -2.716 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.856 -5.170 7.083 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.590 -4.593 8.598 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.949 -5.282 8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.033 -3.890 6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.052 -3.948 7.496 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.443 -2.381 6.748 1.00 0.00 H new ATOM 277 N CYS A 22 14.900 -1.504 9.617 1.00 0.00 N ATOM 278 CA CYS A 22 16.168 -1.306 10.309 1.00 0.00 C ATOM 279 C CYS A 22 16.174 0.021 11.063 1.00 0.00 C ATOM 280 O CYS A 22 16.993 0.235 11.957 1.00 0.00 O ATOM 281 CB CYS A 22 17.328 -1.343 9.312 1.00 0.00 C ATOM 282 SG CYS A 22 17.291 -0.005 8.077 1.00 0.00 S ATOM 0 H CYS A 22 14.708 -0.820 8.885 1.00 0.00 H new ATOM 0 HA CYS A 22 16.291 -2.115 11.030 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.267 -1.289 9.862 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.317 -2.302 8.794 1.00 0.00 H new ATOM 0 HG CYS A 22 16.197 -0.089 7.379 1.00 0.00 H new ATOM 287 N SER A 23 15.255 0.908 10.697 1.00 0.00 N ATOM 288 CA SER A 23 15.156 2.215 11.336 1.00 0.00 C ATOM 289 C SER A 23 16.417 3.037 11.088 1.00 0.00 C ATOM 290 O SER A 23 17.147 3.372 12.022 1.00 0.00 O ATOM 291 CB SER A 23 14.925 2.055 12.840 1.00 0.00 C ATOM 292 OG SER A 23 14.578 3.292 13.437 1.00 0.00 O ATOM 0 H SER A 23 14.568 0.746 9.961 1.00 0.00 H new ATOM 0 HA SER A 23 14.308 2.742 10.900 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.131 1.328 13.014 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.826 1.661 13.310 1.00 0.00 H new ATOM 0 HG SER A 23 14.434 3.163 14.398 1.00 0.00 H new ATOM 298 N ARG A 24 16.667 3.360 9.824 1.00 0.00 N ATOM 299 CA ARG A 24 17.840 4.142 9.452 1.00 0.00 C ATOM 300 C ARG A 24 17.440 5.364 8.630 1.00 0.00 C ATOM 301 O ARG A 24 16.313 5.459 8.147 1.00 0.00 O ATOM 302 CB ARG A 24 18.823 3.280 8.658 1.00 0.00 C ATOM 303 CG ARG A 24 19.735 2.435 9.532 1.00 0.00 C ATOM 304 CD ARG A 24 20.781 3.287 10.233 1.00 0.00 C ATOM 305 NE ARG A 24 21.529 2.525 11.229 1.00 0.00 N ATOM 306 CZ ARG A 24 22.615 2.983 11.842 1.00 0.00 C ATOM 307 NH1 ARG A 24 23.076 4.194 11.562 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.241 2.230 12.737 1.00 0.00 N ATOM 0 H ARG A 24 16.073 3.092 9.039 1.00 0.00 H new ATOM 0 HA ARG A 24 18.324 4.483 10.367 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.262 2.624 7.992 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.434 3.927 8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.139 1.904 10.275 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.229 1.680 8.921 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.471 3.694 9.494 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.294 4.135 10.715 1.00 0.00 H new ATOM 0 HE ARG A 24 21.200 1.590 11.467 1.00 0.00 H new ATOM 0 HH11 ARG A 24 22.597 4.776 10.875 1.00 0.00 H new ATOM 0 HH12 ARG A 24 23.910 4.544 12.034 1.00 0.00 H new ATOM 0 HH21 ARG A 24 22.889 1.298 12.955 1.00 0.00 H new ATOM 0 HH22 ARG A 24 24.075 2.583 13.207 1.00 0.00 H new ATOM 322 N GLY A 25 18.373 6.299 8.477 1.00 0.00 N ATOM 323 CA GLY A 25 18.099 7.503 7.714 1.00 0.00 C ATOM 324 C GLY A 25 19.132 7.752 6.633 1.00 0.00 C ATOM 325 O GLY A 25 18.801 8.231 5.548 1.00 0.00 O ATOM 0 H GLY A 25 19.314 6.244 8.868 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.112 7.424 7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.070 8.358 8.389 1.00 0.00 H new ATOM 329 N ASP A 26 20.386 7.428 6.928 1.00 0.00 N ATOM 330 CA ASP A 26 21.470 7.620 5.973 1.00 0.00 C ATOM 331 C ASP A 26 21.217 6.824 4.696 1.00 0.00 C ATOM 332 O ASP A 26 21.762 7.140 3.639 1.00 0.00 O ATOM 333 CB ASP A 26 22.805 7.201 6.593 1.00 0.00 C ATOM 334 CG ASP A 26 23.887 8.245 6.396 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.789 9.325 7.016 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.832 7.980 5.624 1.00 0.00 O ATOM 0 H ASP A 26 20.677 7.031 7.821 1.00 0.00 H new ATOM 0 HA ASP A 26 21.513 8.679 5.718 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.667 7.022 7.659 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.128 6.259 6.150 1.00 0.00 H new ATOM 341 N GLU A 27 20.388 5.790 4.803 1.00 0.00 N ATOM 342 CA GLU A 27 20.065 4.949 3.657 1.00 0.00 C ATOM 343 C GLU A 27 18.872 5.511 2.889 1.00 0.00 C ATOM 344 O GLU A 27 18.444 4.944 1.884 1.00 0.00 O ATOM 345 CB GLU A 27 19.763 3.520 4.114 1.00 0.00 C ATOM 346 CG GLU A 27 21.007 2.672 4.320 1.00 0.00 C ATOM 347 CD GLU A 27 21.745 2.394 3.024 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.191 2.702 1.948 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.876 1.869 3.088 1.00 0.00 O ATOM 0 H GLU A 27 19.928 5.515 5.671 1.00 0.00 H new ATOM 0 HA GLU A 27 20.930 4.936 2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.200 3.557 5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.123 3.038 3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.677 3.179 5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.725 1.726 4.783 1.00 0.00 H new ATOM 356 N ASP A 28 18.341 6.630 3.369 1.00 0.00 N ATOM 357 CA ASP A 28 17.198 7.270 2.728 1.00 0.00 C ATOM 358 C ASP A 28 17.442 7.446 1.233 1.00 0.00 C ATOM 359 O ASP A 28 16.500 7.489 0.441 1.00 0.00 O ATOM 360 CB ASP A 28 16.918 8.628 3.375 1.00 0.00 C ATOM 361 CG ASP A 28 18.029 9.628 3.126 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.211 9.228 3.183 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.718 10.811 2.874 1.00 0.00 O ATOM 0 H ASP A 28 18.684 7.113 4.200 1.00 0.00 H new ATOM 0 HA ASP A 28 16.329 6.626 2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.981 9.026 2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.787 8.495 4.449 1.00 0.00 H new ATOM 368 N ASP A 29 18.711 7.548 0.854 1.00 0.00 N ATOM 369 CA ASP A 29 19.079 7.720 -0.547 1.00 0.00 C ATOM 370 C ASP A 29 18.411 6.661 -1.418 1.00 0.00 C ATOM 371 O ASP A 29 18.147 6.888 -2.599 1.00 0.00 O ATOM 372 CB ASP A 29 20.598 7.647 -0.710 1.00 0.00 C ATOM 373 CG ASP A 29 21.176 8.907 -1.324 1.00 0.00 C ATOM 374 OD1 ASP A 29 21.209 9.944 -0.630 1.00 0.00 O ATOM 375 OD2 ASP A 29 21.594 8.856 -2.500 1.00 0.00 O ATOM 0 H ASP A 29 19.502 7.515 1.497 1.00 0.00 H new ATOM 0 HA ASP A 29 18.733 8.702 -0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.057 7.477 0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.853 6.792 -1.336 1.00 0.00 H new ATOM 380 N LYS A 30 18.140 5.501 -0.828 1.00 0.00 N ATOM 381 CA LYS A 30 17.502 4.406 -1.549 1.00 0.00 C ATOM 382 C LYS A 30 16.227 3.958 -0.841 1.00 0.00 C ATOM 383 O LYS A 30 15.859 2.783 -0.888 1.00 0.00 O ATOM 384 CB LYS A 30 18.466 3.226 -1.682 1.00 0.00 C ATOM 385 CG LYS A 30 19.516 3.417 -2.763 1.00 0.00 C ATOM 386 CD LYS A 30 20.482 2.245 -2.815 1.00 0.00 C ATOM 387 CE LYS A 30 20.697 1.763 -4.242 1.00 0.00 C ATOM 388 NZ LYS A 30 21.058 2.881 -5.157 1.00 0.00 N ATOM 0 H LYS A 30 18.353 5.295 0.148 1.00 0.00 H new ATOM 0 HA LYS A 30 17.237 4.764 -2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.965 3.066 -0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.894 2.323 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.027 3.530 -3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.069 4.338 -2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.438 2.540 -2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.096 1.426 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.487 1.012 -4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.790 1.278 -4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.621 2.513 -5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.191 3.323 -5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.614 3.589 -4.637 1.00 0.00 H new ATOM 402 N LEU A 31 15.557 4.900 -0.186 1.00 0.00 N ATOM 403 CA LEU A 31 14.323 4.602 0.531 1.00 0.00 C ATOM 404 C LEU A 31 13.119 4.673 -0.403 1.00 0.00 C ATOM 405 O LEU A 31 13.055 5.528 -1.287 1.00 0.00 O ATOM 406 CB LEU A 31 14.137 5.577 1.695 1.00 0.00 C ATOM 407 CG LEU A 31 14.338 4.998 3.096 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.150 6.076 4.152 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.381 3.840 3.336 1.00 0.00 C ATOM 0 H LEU A 31 15.848 5.876 -0.137 1.00 0.00 H new ATOM 0 HA LEU A 31 14.397 3.588 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.833 6.406 1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.131 5.993 1.637 1.00 0.00 H new ATOM 0 HG LEU A 31 15.358 4.621 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.297 5.645 5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.876 6.873 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.142 6.484 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.538 3.440 4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.354 4.192 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.565 3.057 2.600 1.00 0.00 H new ATOM 421 N LEU A 32 12.166 3.770 -0.201 1.00 0.00 N ATOM 422 CA LEU A 32 10.962 3.731 -1.024 1.00 0.00 C ATOM 423 C LEU A 32 9.773 4.327 -0.278 1.00 0.00 C ATOM 424 O LEU A 32 9.749 4.354 0.953 1.00 0.00 O ATOM 425 CB LEU A 32 10.650 2.292 -1.438 1.00 0.00 C ATOM 426 CG LEU A 32 11.516 1.713 -2.557 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.924 1.437 -2.053 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.889 0.443 -3.115 1.00 0.00 C ATOM 0 H LEU A 32 12.203 3.055 0.525 1.00 0.00 H new ATOM 0 HA LEU A 32 11.143 4.328 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.750 1.653 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.607 2.243 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 32 11.576 2.447 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.526 1.025 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.374 2.366 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.883 0.722 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.519 0.045 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.797 -0.297 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.901 0.670 -3.515 1.00 0.00 H new ATOM 440 N PHE A 33 8.786 4.802 -1.031 1.00 0.00 N ATOM 441 CA PHE A 33 7.592 5.397 -0.441 1.00 0.00 C ATOM 442 C PHE A 33 6.341 4.625 -0.851 1.00 0.00 C ATOM 443 O PHE A 33 6.107 4.384 -2.036 1.00 0.00 O ATOM 444 CB PHE A 33 7.464 6.862 -0.864 1.00 0.00 C ATOM 445 CG PHE A 33 8.745 7.636 -0.741 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.311 7.870 0.501 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.382 8.130 -1.868 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.490 8.582 0.618 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.562 8.842 -1.757 1.00 0.00 C ATOM 450 CZ PHE A 33 11.116 9.069 -0.513 1.00 0.00 C ATOM 0 H PHE A 33 8.789 4.786 -2.051 1.00 0.00 H new ATOM 0 HA PHE A 33 7.689 5.347 0.644 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.121 6.905 -1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.699 7.342 -0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.826 7.492 1.389 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.952 7.957 -2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.921 8.757 1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 33 11.050 9.220 -2.643 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.037 9.626 -0.424 1.00 0.00 H new ATOM 460 N CYS A 34 5.541 4.240 0.137 1.00 0.00 N ATOM 461 CA CYS A 34 4.314 3.495 -0.119 1.00 0.00 C ATOM 462 C CYS A 34 3.177 4.436 -0.508 1.00 0.00 C ATOM 463 O CYS A 34 3.023 5.512 0.070 1.00 0.00 O ATOM 464 CB CYS A 34 3.919 2.683 1.116 1.00 0.00 C ATOM 465 SG CYS A 34 2.282 1.893 0.995 1.00 0.00 S ATOM 0 H CYS A 34 5.720 4.432 1.123 1.00 0.00 H new ATOM 0 HA CYS A 34 4.498 2.814 -0.950 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.671 1.912 1.286 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.931 3.338 1.987 1.00 0.00 H new ATOM 0 HG CYS A 34 2.285 0.783 1.672 1.00 0.00 H new ATOM 470 N ASP A 35 2.385 4.022 -1.490 1.00 0.00 N ATOM 471 CA ASP A 35 1.261 4.826 -1.956 1.00 0.00 C ATOM 472 C ASP A 35 -0.014 4.470 -1.198 1.00 0.00 C ATOM 473 O ASP A 35 -1.075 4.295 -1.796 1.00 0.00 O ATOM 474 CB ASP A 35 1.050 4.625 -3.458 1.00 0.00 C ATOM 475 CG ASP A 35 0.016 5.575 -4.030 1.00 0.00 C ATOM 476 OD1 ASP A 35 -0.091 6.711 -3.522 1.00 0.00 O ATOM 477 OD2 ASP A 35 -0.685 5.183 -4.985 1.00 0.00 O ATOM 0 H ASP A 35 2.500 3.134 -1.979 1.00 0.00 H new ATOM 0 HA ASP A 35 1.493 5.874 -1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.998 4.768 -3.977 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.737 3.598 -3.644 1.00 0.00 H new ATOM 482 N GLY A 36 0.099 4.362 0.122 1.00 0.00 N ATOM 483 CA GLY A 36 -1.052 4.026 0.940 1.00 0.00 C ATOM 484 C GLY A 36 -0.875 4.440 2.388 1.00 0.00 C ATOM 485 O GLY A 36 -1.819 4.903 3.028 1.00 0.00 O ATOM 0 H GLY A 36 0.967 4.501 0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.938 4.512 0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.227 2.951 0.891 1.00 0.00 H new ATOM 489 N CYS A 37 0.337 4.271 2.906 1.00 0.00 N ATOM 490 CA CYS A 37 0.634 4.629 4.288 1.00 0.00 C ATOM 491 C CYS A 37 1.819 5.587 4.359 1.00 0.00 C ATOM 492 O CYS A 37 2.197 6.046 5.437 1.00 0.00 O ATOM 493 CB CYS A 37 0.931 3.372 5.109 1.00 0.00 C ATOM 494 SG CYS A 37 2.434 2.482 4.590 1.00 0.00 S ATOM 0 H CYS A 37 1.129 3.888 2.390 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.241 5.129 4.704 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.031 3.651 6.158 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.079 2.696 5.039 1.00 0.00 H new ATOM 0 HG CYS A 37 2.389 2.265 3.309 1.00 0.00 H new ATOM 499 N ASP A 38 2.401 5.886 3.202 1.00 0.00 N ATOM 500 CA ASP A 38 3.542 6.791 3.132 1.00 0.00 C ATOM 501 C ASP A 38 4.634 6.367 4.110 1.00 0.00 C ATOM 502 O ASP A 38 5.045 7.143 4.972 1.00 0.00 O ATOM 503 CB ASP A 38 3.102 8.225 3.431 1.00 0.00 C ATOM 504 CG ASP A 38 4.026 9.255 2.812 1.00 0.00 C ATOM 505 OD1 ASP A 38 4.541 9.001 1.703 1.00 0.00 O ATOM 506 OD2 ASP A 38 4.235 10.316 3.437 1.00 0.00 O ATOM 0 H ASP A 38 2.101 5.515 2.301 1.00 0.00 H new ATOM 0 HA ASP A 38 3.947 6.746 2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.090 8.377 3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.068 8.374 4.510 1.00 0.00 H new ATOM 511 N ASP A 39 5.098 5.130 3.969 1.00 0.00 N ATOM 512 CA ASP A 39 6.142 4.602 4.840 1.00 0.00 C ATOM 513 C ASP A 39 7.496 4.618 4.137 1.00 0.00 C ATOM 514 O ASP A 39 7.604 5.044 2.988 1.00 0.00 O ATOM 515 CB ASP A 39 5.798 3.177 5.278 1.00 0.00 C ATOM 516 CG ASP A 39 4.993 3.145 6.562 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.606 4.229 7.048 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.748 2.036 7.081 1.00 0.00 O ATOM 0 H ASP A 39 4.768 4.475 3.260 1.00 0.00 H new ATOM 0 HA ASP A 39 6.203 5.240 5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.234 2.683 4.487 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.719 2.610 5.415 1.00 0.00 H new ATOM 523 N ASN A 40 8.526 4.152 4.836 1.00 0.00 N ATOM 524 CA ASN A 40 9.873 4.115 4.279 1.00 0.00 C ATOM 525 C ASN A 40 10.448 2.703 4.341 1.00 0.00 C ATOM 526 O ASN A 40 10.548 2.108 5.414 1.00 0.00 O ATOM 527 CB ASN A 40 10.786 5.083 5.035 1.00 0.00 C ATOM 528 CG ASN A 40 10.048 6.316 5.517 1.00 0.00 C ATOM 529 OD1 ASN A 40 10.120 6.676 6.692 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.334 6.971 4.609 1.00 0.00 N ATOM 0 H ASN A 40 8.453 3.795 5.789 1.00 0.00 H new ATOM 0 HA ASN A 40 9.816 4.420 3.234 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.227 4.570 5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.608 5.385 4.386 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.817 7.809 4.875 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.303 6.636 3.646 1.00 0.00 H new ATOM 537 N TYR A 41 10.824 2.173 3.182 1.00 0.00 N ATOM 538 CA TYR A 41 11.388 0.830 3.103 1.00 0.00 C ATOM 539 C TYR A 41 12.556 0.786 2.123 1.00 0.00 C ATOM 540 O TYR A 41 12.480 1.336 1.024 1.00 0.00 O ATOM 541 CB TYR A 41 10.313 -0.172 2.679 1.00 0.00 C ATOM 542 CG TYR A 41 9.271 -0.431 3.743 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.461 -1.416 4.704 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.096 0.310 3.788 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.512 -1.656 5.679 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.142 0.077 4.759 1.00 0.00 C ATOM 547 CZ TYR A 41 7.354 -0.907 5.702 1.00 0.00 C ATOM 548 OH TYR A 41 6.405 -1.142 6.671 1.00 0.00 O ATOM 0 H TYR A 41 10.749 2.652 2.285 1.00 0.00 H new ATOM 0 HA TYR A 41 11.758 0.560 4.092 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.818 0.197 1.781 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.792 -1.115 2.414 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.366 -2.004 4.689 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.926 1.081 3.051 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.676 -2.426 6.419 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.235 0.662 4.780 1.00 0.00 H new ATOM 0 HH TYR A 41 5.651 -0.528 6.546 1.00 0.00 H new ATOM 558 N HIS A 42 13.637 0.128 2.530 1.00 0.00 N ATOM 559 CA HIS A 42 14.822 0.011 1.689 1.00 0.00 C ATOM 560 C HIS A 42 14.643 -1.091 0.648 1.00 0.00 C ATOM 561 O HIS A 42 13.582 -1.710 0.563 1.00 0.00 O ATOM 562 CB HIS A 42 16.055 -0.277 2.545 1.00 0.00 C ATOM 563 CG HIS A 42 16.431 0.853 3.453 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.090 0.670 4.651 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.238 2.188 3.332 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.284 1.842 5.228 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.777 2.780 4.448 1.00 0.00 N ATOM 0 H HIS A 42 13.716 -0.332 3.437 1.00 0.00 H new ATOM 0 HA HIS A 42 14.963 0.959 1.169 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.871 -1.168 3.145 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.897 -0.502 1.890 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.751 2.693 2.511 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.774 2.006 6.176 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.785 3.781 4.643 1.00 0.00 H new ATOM 575 N ILE A 43 15.685 -1.329 -0.140 1.00 0.00 N ATOM 576 CA ILE A 43 15.642 -2.356 -1.174 1.00 0.00 C ATOM 577 C ILE A 43 16.372 -3.617 -0.727 1.00 0.00 C ATOM 578 O ILE A 43 16.377 -4.627 -1.431 1.00 0.00 O ATOM 579 CB ILE A 43 16.264 -1.855 -2.491 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.663 -1.290 -2.237 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.371 -0.805 -3.134 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.569 -1.351 -3.447 1.00 0.00 C ATOM 0 H ILE A 43 16.570 -0.825 -0.083 1.00 0.00 H new ATOM 0 HA ILE A 43 14.591 -2.589 -1.344 1.00 0.00 H new ATOM 0 HB ILE A 43 16.352 -2.697 -3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.574 -0.253 -1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.126 -1.842 -1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 43 15.825 -0.461 -4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.394 -1.239 -3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.254 0.039 -2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.543 -0.934 -3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.689 -2.388 -3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.128 -0.775 -4.261 1.00 0.00 H new ATOM 594 N PHE A 44 16.987 -3.553 0.450 1.00 0.00 N ATOM 595 CA PHE A 44 17.720 -4.691 0.992 1.00 0.00 C ATOM 596 C PHE A 44 17.173 -5.087 2.361 1.00 0.00 C ATOM 597 O PHE A 44 17.805 -5.845 3.099 1.00 0.00 O ATOM 598 CB PHE A 44 19.209 -4.360 1.102 1.00 0.00 C ATOM 599 CG PHE A 44 19.481 -3.015 1.713 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.527 -2.861 3.089 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.690 -1.904 0.911 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.778 -1.626 3.655 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.941 -0.666 1.472 1.00 0.00 C ATOM 604 CZ PHE A 44 19.984 -0.526 2.845 1.00 0.00 C ATOM 0 H PHE A 44 16.992 -2.725 1.046 1.00 0.00 H new ATOM 0 HA PHE A 44 17.592 -5.532 0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.700 -5.128 1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.655 -4.396 0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.365 -3.717 3.727 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.656 -2.007 -0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.813 -1.521 4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.104 0.192 0.836 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.178 0.441 3.285 1.00 0.00 H new ATOM 614 N CYS A 45 15.996 -4.569 2.694 1.00 0.00 N ATOM 615 CA CYS A 45 15.364 -4.866 3.973 1.00 0.00 C ATOM 616 C CYS A 45 14.127 -5.738 3.779 1.00 0.00 C ATOM 617 O CYS A 45 13.700 -6.443 4.695 1.00 0.00 O ATOM 618 CB CYS A 45 14.980 -3.569 4.690 1.00 0.00 C ATOM 619 SG CYS A 45 16.360 -2.769 5.569 1.00 0.00 S ATOM 0 H CYS A 45 15.460 -3.941 2.095 1.00 0.00 H new ATOM 0 HA CYS A 45 16.081 -5.413 4.585 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.574 -2.869 3.960 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.184 -3.783 5.403 1.00 0.00 H new ATOM 0 HG CYS A 45 16.462 -1.532 5.182 1.00 0.00 H new ATOM 624 N LEU A 46 13.555 -5.686 2.581 1.00 0.00 N ATOM 625 CA LEU A 46 12.367 -6.471 2.265 1.00 0.00 C ATOM 626 C LEU A 46 12.713 -7.950 2.123 1.00 0.00 C ATOM 627 O LEU A 46 13.820 -8.374 2.457 1.00 0.00 O ATOM 628 CB LEU A 46 11.722 -5.960 0.976 1.00 0.00 C ATOM 629 CG LEU A 46 11.600 -4.442 0.842 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.349 -4.052 -0.607 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.488 -3.916 1.738 1.00 0.00 C ATOM 0 H LEU A 46 13.895 -5.108 1.812 1.00 0.00 H new ATOM 0 HA LEU A 46 11.659 -6.360 3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.300 -6.334 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.725 -6.393 0.896 1.00 0.00 H new ATOM 0 HG LEU A 46 12.540 -3.991 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.265 -2.968 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.178 -4.396 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.424 -4.513 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.415 -2.834 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.542 -4.374 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.710 -4.163 2.776 1.00 0.00 H new ATOM 643 N LEU A 47 11.761 -8.730 1.624 1.00 0.00 N ATOM 644 CA LEU A 47 11.965 -10.162 1.435 1.00 0.00 C ATOM 645 C LEU A 47 10.821 -10.774 0.633 1.00 0.00 C ATOM 646 O LEU A 47 9.713 -10.968 1.134 1.00 0.00 O ATOM 647 CB LEU A 47 12.086 -10.863 2.790 1.00 0.00 C ATOM 648 CG LEU A 47 13.134 -11.973 2.880 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.695 -12.064 4.291 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.537 -13.306 2.454 1.00 0.00 C ATOM 0 H LEU A 47 10.840 -8.395 1.343 1.00 0.00 H new ATOM 0 HA LEU A 47 12.891 -10.302 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.315 -10.112 3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.115 -11.286 3.046 1.00 0.00 H new ATOM 0 HG LEU A 47 13.952 -11.731 2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.439 -12.859 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.161 -11.116 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.888 -12.282 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.297 -14.084 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.701 -13.555 3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.185 -13.235 1.425 1.00 0.00 H new ATOM 662 N PRO A 48 11.094 -11.088 -0.642 1.00 0.00 N ATOM 663 CA PRO A 48 12.409 -10.862 -1.249 1.00 0.00 C ATOM 664 C PRO A 48 12.708 -9.380 -1.448 1.00 0.00 C ATOM 665 O PRO A 48 11.813 -8.567 -1.682 1.00 0.00 O ATOM 666 CB PRO A 48 12.302 -11.571 -2.601 1.00 0.00 C ATOM 667 CG PRO A 48 10.845 -11.577 -2.912 1.00 0.00 C ATOM 668 CD PRO A 48 10.140 -11.689 -1.589 1.00 0.00 C ATOM 0 HA PRO A 48 13.218 -11.234 -0.620 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.869 -11.045 -3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.700 -12.584 -2.549 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.554 -10.665 -3.434 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.588 -12.413 -3.563 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.189 -11.156 -1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.923 -12.727 -1.336 1.00 0.00 H new ATOM 676 N PRO A 49 13.996 -9.017 -1.353 1.00 0.00 N ATOM 677 CA PRO A 49 14.442 -7.631 -1.520 1.00 0.00 C ATOM 678 C PRO A 49 14.311 -7.149 -2.961 1.00 0.00 C ATOM 679 O PRO A 49 13.881 -7.898 -3.840 1.00 0.00 O ATOM 680 CB PRO A 49 15.915 -7.680 -1.105 1.00 0.00 C ATOM 681 CG PRO A 49 16.330 -9.089 -1.349 1.00 0.00 C ATOM 682 CD PRO A 49 15.115 -9.932 -1.076 1.00 0.00 C ATOM 0 HA PRO A 49 13.842 -6.936 -0.932 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.515 -6.983 -1.691 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.041 -7.406 -0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.675 -9.222 -2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.156 -9.371 -0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 49 15.083 -10.812 -1.719 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.097 -10.289 -0.046 1.00 0.00 H new ATOM 690 N LEU A 50 14.683 -5.896 -3.198 1.00 0.00 N ATOM 691 CA LEU A 50 14.608 -5.315 -4.533 1.00 0.00 C ATOM 692 C LEU A 50 15.986 -4.871 -5.013 1.00 0.00 C ATOM 693 O LEU A 50 16.905 -4.653 -4.223 1.00 0.00 O ATOM 694 CB LEU A 50 13.646 -4.125 -4.539 1.00 0.00 C ATOM 695 CG LEU A 50 12.157 -4.467 -4.609 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.313 -3.216 -4.418 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.825 -5.139 -5.933 1.00 0.00 C ATOM 0 H LEU A 50 15.040 -5.263 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 50 14.236 -6.080 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.821 -3.537 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.893 -3.488 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 50 11.926 -5.164 -3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.256 -3.478 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.529 -2.776 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.548 -2.496 -5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.761 -5.375 -5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.072 -4.466 -6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.403 -6.058 -6.030 1.00 0.00 H new ATOM 709 N PRO A 51 16.135 -4.731 -6.338 1.00 0.00 N ATOM 710 CA PRO A 51 17.397 -4.309 -6.953 1.00 0.00 C ATOM 711 C PRO A 51 17.723 -2.848 -6.664 1.00 0.00 C ATOM 712 O PRO A 51 18.862 -2.509 -6.346 1.00 0.00 O ATOM 713 CB PRO A 51 17.149 -4.516 -8.450 1.00 0.00 C ATOM 714 CG PRO A 51 15.671 -4.416 -8.606 1.00 0.00 C ATOM 715 CD PRO A 51 15.083 -4.974 -7.339 1.00 0.00 C ATOM 0 HA PRO A 51 18.247 -4.871 -6.566 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.662 -3.760 -9.045 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.517 -5.487 -8.782 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.363 -3.381 -8.756 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.331 -4.979 -9.475 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.152 -4.473 -7.073 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.857 -6.036 -7.435 1.00 0.00 H new ATOM 723 N GLU A 52 16.715 -1.988 -6.776 1.00 0.00 N ATOM 724 CA GLU A 52 16.897 -0.563 -6.526 1.00 0.00 C ATOM 725 C GLU A 52 15.556 0.165 -6.530 1.00 0.00 C ATOM 726 O GLU A 52 14.505 -0.449 -6.716 1.00 0.00 O ATOM 727 CB GLU A 52 17.824 0.048 -7.578 1.00 0.00 C ATOM 728 CG GLU A 52 17.379 -0.213 -9.007 1.00 0.00 C ATOM 729 CD GLU A 52 18.506 -0.718 -9.887 1.00 0.00 C ATOM 730 OE1 GLU A 52 19.265 -1.600 -9.433 1.00 0.00 O ATOM 731 OE2 GLU A 52 18.629 -0.231 -11.030 1.00 0.00 O ATOM 0 H GLU A 52 15.765 -2.253 -7.038 1.00 0.00 H new ATOM 0 HA GLU A 52 17.351 -0.448 -5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.884 1.124 -7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.829 -0.352 -7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.570 -0.944 -9.004 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.976 0.706 -9.432 1.00 0.00 H new ATOM 738 N ILE A 53 15.601 1.476 -6.322 1.00 0.00 N ATOM 739 CA ILE A 53 14.390 2.288 -6.302 1.00 0.00 C ATOM 740 C ILE A 53 13.542 2.041 -7.545 1.00 0.00 C ATOM 741 O ILE A 53 14.031 2.056 -8.674 1.00 0.00 O ATOM 742 CB ILE A 53 14.721 3.790 -6.211 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.161 4.152 -4.791 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.518 4.623 -6.628 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.043 4.078 -3.775 1.00 0.00 C ATOM 0 H ILE A 53 16.462 1.999 -6.165 1.00 0.00 H new ATOM 0 HA ILE A 53 13.827 1.993 -5.416 1.00 0.00 H new ATOM 0 HB ILE A 53 15.543 4.009 -6.892 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.964 3.481 -4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.573 5.161 -4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.767 5.682 -6.559 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.246 4.381 -7.655 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.678 4.404 -5.969 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.427 4.347 -2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.249 4.770 -4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.646 3.063 -3.744 1.00 0.00 H new ATOM 757 N PRO A 54 12.238 1.809 -7.334 1.00 0.00 N ATOM 758 CA PRO A 54 11.292 1.556 -8.425 1.00 0.00 C ATOM 759 C PRO A 54 11.035 2.800 -9.269 1.00 0.00 C ATOM 760 O PRO A 54 11.470 3.898 -8.922 1.00 0.00 O ATOM 761 CB PRO A 54 10.015 1.131 -7.697 1.00 0.00 C ATOM 762 CG PRO A 54 10.120 1.759 -6.350 1.00 0.00 C ATOM 763 CD PRO A 54 11.586 1.776 -6.014 1.00 0.00 C ATOM 0 HA PRO A 54 11.668 0.810 -9.125 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.125 1.474 -8.225 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.944 0.046 -7.623 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.710 2.769 -6.357 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.557 1.191 -5.610 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.851 2.646 -5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.878 0.894 -5.444 1.00 0.00 H new ATOM 771 N ARG A 55 10.326 2.620 -10.379 1.00 0.00 N ATOM 772 CA ARG A 55 10.011 3.728 -11.273 1.00 0.00 C ATOM 773 C ARG A 55 8.638 4.311 -10.954 1.00 0.00 C ATOM 774 O ARG A 55 8.530 5.388 -10.368 1.00 0.00 O ATOM 775 CB ARG A 55 10.055 3.264 -12.730 1.00 0.00 C ATOM 776 CG ARG A 55 11.338 3.640 -13.451 1.00 0.00 C ATOM 777 CD ARG A 55 11.053 4.412 -14.730 1.00 0.00 C ATOM 778 NE ARG A 55 12.228 4.492 -15.594 1.00 0.00 N ATOM 779 CZ ARG A 55 12.233 5.105 -16.773 1.00 0.00 C ATOM 780 NH1 ARG A 55 11.132 5.690 -17.224 1.00 0.00 N ATOM 781 NH2 ARG A 55 13.341 5.135 -17.502 1.00 0.00 N ATOM 0 H ARG A 55 9.959 1.717 -10.681 1.00 0.00 H new ATOM 0 HA ARG A 55 10.760 4.506 -11.124 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.935 2.181 -12.761 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.208 3.694 -13.265 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.963 4.243 -12.793 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.902 2.737 -13.687 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.238 3.930 -15.270 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.718 5.419 -14.479 1.00 0.00 H new ATOM 0 HE ARG A 55 13.092 4.053 -15.275 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.279 5.670 -16.666 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.138 6.160 -18.129 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.190 4.687 -17.158 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.344 5.606 -18.407 1.00 0.00 H new ATOM 795 N GLY A 56 7.590 3.592 -11.344 1.00 0.00 N ATOM 796 CA GLY A 56 6.238 4.054 -11.092 1.00 0.00 C ATOM 797 C GLY A 56 5.891 4.055 -9.617 1.00 0.00 C ATOM 798 O GLY A 56 6.751 4.301 -8.771 1.00 0.00 O ATOM 0 H GLY A 56 7.653 2.698 -11.830 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.122 5.062 -11.490 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.534 3.417 -11.627 1.00 0.00 H new ATOM 802 N ILE A 57 4.628 3.782 -9.307 1.00 0.00 N ATOM 803 CA ILE A 57 4.170 3.753 -7.923 1.00 0.00 C ATOM 804 C ILE A 57 4.553 2.442 -7.245 1.00 0.00 C ATOM 805 O ILE A 57 4.319 1.361 -7.785 1.00 0.00 O ATOM 806 CB ILE A 57 2.644 3.940 -7.831 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.237 5.289 -8.428 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.184 3.834 -6.385 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.739 5.474 -8.535 1.00 0.00 C ATOM 0 H ILE A 57 3.904 3.578 -9.995 1.00 0.00 H new ATOM 0 HA ILE A 57 4.660 4.581 -7.411 1.00 0.00 H new ATOM 0 HB ILE A 57 2.160 3.149 -8.404 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.651 6.089 -7.814 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.679 5.387 -9.420 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.103 3.968 -6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.446 2.852 -5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.673 4.606 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.523 6.452 -8.966 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.321 4.695 -9.173 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.293 5.408 -7.543 1.00 0.00 H new ATOM 821 N TRP A 58 5.140 2.546 -6.058 1.00 0.00 N ATOM 822 CA TRP A 58 5.554 1.368 -5.305 1.00 0.00 C ATOM 823 C TRP A 58 4.806 1.280 -3.979 1.00 0.00 C ATOM 824 O TRP A 58 4.590 2.291 -3.309 1.00 0.00 O ATOM 825 CB TRP A 58 7.062 1.402 -5.052 1.00 0.00 C ATOM 826 CG TRP A 58 7.549 0.260 -4.213 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.054 -0.928 -4.659 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.577 0.198 -2.783 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.393 -1.725 -3.592 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.111 -1.057 -2.430 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.204 1.081 -1.766 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.279 -1.448 -1.105 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.371 0.691 -0.451 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.906 -0.564 -0.129 1.00 0.00 C ATOM 0 H TRP A 58 5.340 3.433 -5.597 1.00 0.00 H new ATOM 0 HA TRP A 58 5.312 0.486 -5.897 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.584 1.389 -6.009 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.320 2.340 -4.561 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.170 -1.201 -5.697 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.790 -2.662 -3.655 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.793 2.051 -2.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.689 -2.415 -0.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.084 1.365 0.343 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.026 -0.838 0.909 1.00 0.00 H new ATOM 845 N ARG A 59 4.413 0.067 -3.605 1.00 0.00 N ATOM 846 CA ARG A 59 3.688 -0.151 -2.359 1.00 0.00 C ATOM 847 C ARG A 59 4.479 -1.059 -1.422 1.00 0.00 C ATOM 848 O ARG A 59 5.373 -1.787 -1.854 1.00 0.00 O ATOM 849 CB ARG A 59 2.316 -0.765 -2.643 1.00 0.00 C ATOM 850 CG ARG A 59 1.163 0.208 -2.457 1.00 0.00 C ATOM 851 CD ARG A 59 -0.081 -0.496 -1.938 1.00 0.00 C ATOM 852 NE ARG A 59 -1.191 -0.414 -2.884 1.00 0.00 N ATOM 853 CZ ARG A 59 -1.319 -1.213 -3.937 1.00 0.00 C ATOM 854 NH1 ARG A 59 -0.412 -2.150 -4.177 1.00 0.00 N ATOM 855 NH2 ARG A 59 -2.357 -1.077 -4.752 1.00 0.00 N ATOM 0 H ARG A 59 4.584 -0.780 -4.147 1.00 0.00 H new ATOM 0 HA ARG A 59 3.553 0.815 -1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.301 -1.142 -3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.167 -1.621 -1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.456 0.992 -1.759 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.938 0.694 -3.407 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.151 -1.543 -1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.380 -0.051 -0.989 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.907 0.296 -2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.387 -2.259 -3.552 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.513 -2.762 -4.987 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.058 -0.358 -4.570 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.454 -1.691 -5.561 1.00 0.00 H new ATOM 869 N CYS A 60 4.144 -1.011 -0.137 1.00 0.00 N ATOM 870 CA CYS A 60 4.823 -1.827 0.862 1.00 0.00 C ATOM 871 C CYS A 60 4.055 -3.120 1.121 1.00 0.00 C ATOM 872 O CYS A 60 2.858 -3.224 0.854 1.00 0.00 O ATOM 873 CB CYS A 60 4.982 -1.045 2.167 1.00 0.00 C ATOM 874 SG CYS A 60 3.464 -0.955 3.170 1.00 0.00 S ATOM 0 H CYS A 60 3.406 -0.415 0.237 1.00 0.00 H new ATOM 0 HA CYS A 60 5.810 -2.082 0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.770 -1.507 2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.311 -0.032 1.933 1.00 0.00 H new ATOM 0 HG CYS A 60 3.275 0.270 3.562 1.00 0.00 H new ATOM 879 N PRO A 61 4.759 -4.129 1.655 1.00 0.00 N ATOM 880 CA PRO A 61 4.164 -5.433 1.963 1.00 0.00 C ATOM 881 C PRO A 61 3.189 -5.363 3.134 1.00 0.00 C ATOM 882 O PRO A 61 2.290 -6.195 3.257 1.00 0.00 O ATOM 883 CB PRO A 61 5.373 -6.298 2.325 1.00 0.00 C ATOM 884 CG PRO A 61 6.403 -5.331 2.798 1.00 0.00 C ATOM 885 CD PRO A 61 6.189 -4.075 2.000 1.00 0.00 C ATOM 0 HA PRO A 61 3.579 -5.821 1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.124 -7.022 3.101 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.727 -6.864 1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.296 -5.138 3.865 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.408 -5.725 2.644 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.429 -3.184 2.581 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.817 -4.053 1.109 1.00 0.00 H new ATOM 893 N LYS A 62 3.373 -4.366 3.992 1.00 0.00 N ATOM 894 CA LYS A 62 2.509 -4.186 5.153 1.00 0.00 C ATOM 895 C LYS A 62 1.118 -3.725 4.730 1.00 0.00 C ATOM 896 O LYS A 62 0.156 -3.843 5.489 1.00 0.00 O ATOM 897 CB LYS A 62 3.123 -3.169 6.119 1.00 0.00 C ATOM 898 CG LYS A 62 3.730 -3.800 7.360 1.00 0.00 C ATOM 899 CD LYS A 62 2.671 -4.093 8.410 1.00 0.00 C ATOM 900 CE LYS A 62 2.324 -2.849 9.214 1.00 0.00 C ATOM 901 NZ LYS A 62 0.944 -2.370 8.925 1.00 0.00 N ATOM 0 H LYS A 62 4.113 -3.670 3.906 1.00 0.00 H new ATOM 0 HA LYS A 62 2.416 -5.148 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.893 -2.602 5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.354 -2.458 6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.239 -4.724 7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.483 -3.132 7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.773 -4.477 7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.029 -4.873 9.082 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.418 -3.066 10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.038 -2.058 8.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.841 -1.388 9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.769 -2.413 7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.256 -2.974 9.419 1.00 0.00 H new ATOM 915 N CYS A 63 1.019 -3.200 3.513 1.00 0.00 N ATOM 916 CA CYS A 63 -0.255 -2.722 2.988 1.00 0.00 C ATOM 917 C CYS A 63 -0.843 -3.720 1.995 1.00 0.00 C ATOM 918 O CYS A 63 -2.045 -3.987 2.006 1.00 0.00 O ATOM 919 CB CYS A 63 -0.073 -1.361 2.313 1.00 0.00 C ATOM 920 SG CYS A 63 -0.027 0.044 3.472 1.00 0.00 S ATOM 0 H CYS A 63 1.805 -3.095 2.872 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.948 -2.617 3.823 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.853 -1.374 1.737 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.887 -1.207 1.604 1.00 0.00 H new ATOM 0 HG CYS A 63 1.200 0.449 3.614 1.00 0.00 H new ATOM 925 N ILE A 64 0.013 -4.268 1.139 1.00 0.00 N ATOM 926 CA ILE A 64 -0.421 -5.238 0.141 1.00 0.00 C ATOM 927 C ILE A 64 -0.893 -6.530 0.798 1.00 0.00 C ATOM 928 O ILE A 64 -1.937 -7.077 0.439 1.00 0.00 O ATOM 929 CB ILE A 64 0.708 -5.564 -0.855 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.186 -4.290 -1.553 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.234 -6.588 -1.876 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.557 -4.422 -2.179 1.00 0.00 C ATOM 0 H ILE A 64 1.011 -4.057 1.117 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.252 -4.784 -0.399 1.00 0.00 H new ATOM 0 HB ILE A 64 1.547 -5.990 -0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.467 -4.017 -2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.202 -3.474 -0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.043 -6.808 -2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.062 -7.503 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.619 -6.187 -2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.831 -3.481 -2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.288 -4.664 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.541 -5.216 -2.926 1.00 0.00 H new ATOM 944 N LEU A 65 -0.120 -7.012 1.764 1.00 0.00 N ATOM 945 CA LEU A 65 -0.460 -8.240 2.475 1.00 0.00 C ATOM 946 C LEU A 65 -1.752 -8.071 3.267 1.00 0.00 C ATOM 947 O LEU A 65 -2.373 -9.051 3.678 1.00 0.00 O ATOM 948 CB LEU A 65 0.679 -8.641 3.415 1.00 0.00 C ATOM 949 CG LEU A 65 1.997 -9.030 2.744 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.115 -9.111 3.772 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.850 -10.354 2.007 1.00 0.00 C ATOM 0 H LEU A 65 0.747 -6.572 2.073 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.608 -9.028 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.872 -7.811 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.343 -9.480 4.024 1.00 0.00 H new ATOM 0 HG LEU A 65 2.254 -8.259 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.045 -9.389 3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.237 -8.141 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.865 -9.861 4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.797 -10.615 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.569 -11.135 2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.078 -10.261 1.243 1.00 0.00 H new ATOM 963 N ALA A 66 -2.153 -6.821 3.476 1.00 0.00 N ATOM 964 CA ALA A 66 -3.374 -6.524 4.215 1.00 0.00 C ATOM 965 C ALA A 66 -4.571 -6.416 3.276 1.00 0.00 C ATOM 966 O ALA A 66 -5.636 -6.968 3.550 1.00 0.00 O ATOM 967 CB ALA A 66 -3.208 -5.238 5.011 1.00 0.00 C ATOM 0 H ALA A 66 -1.650 -5.998 3.144 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.561 -7.346 4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.127 -5.028 5.558 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.384 -5.350 5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.994 -4.414 4.330 1.00 0.00 H new ATOM 973 N GLU A 67 -4.388 -5.702 2.170 1.00 0.00 N ATOM 974 CA GLU A 67 -5.455 -5.522 1.193 1.00 0.00 C ATOM 975 C GLU A 67 -5.692 -6.806 0.403 1.00 0.00 C ATOM 976 O GLU A 67 -6.782 -7.030 -0.125 1.00 0.00 O ATOM 977 CB GLU A 67 -5.113 -4.378 0.236 1.00 0.00 C ATOM 978 CG GLU A 67 -3.999 -4.714 -0.741 1.00 0.00 C ATOM 979 CD GLU A 67 -4.509 -4.948 -2.150 1.00 0.00 C ATOM 980 OE1 GLU A 67 -5.300 -5.895 -2.343 1.00 0.00 O ATOM 981 OE2 GLU A 67 -4.117 -4.186 -3.058 1.00 0.00 O ATOM 0 H GLU A 67 -3.512 -5.239 1.928 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.369 -5.274 1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.007 -4.105 -0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.823 -3.503 0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.273 -3.901 -0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.475 -5.605 -0.396 1.00 0.00 H new ATOM 988 N CYS A 68 -4.665 -7.645 0.327 1.00 0.00 N ATOM 989 CA CYS A 68 -4.760 -8.906 -0.399 1.00 0.00 C ATOM 990 C CYS A 68 -5.893 -9.766 0.152 1.00 0.00 C ATOM 991 O CYS A 68 -6.598 -9.365 1.078 1.00 0.00 O ATOM 992 CB CYS A 68 -3.437 -9.668 -0.314 1.00 0.00 C ATOM 993 SG CYS A 68 -2.422 -9.553 -1.806 1.00 0.00 S ATOM 0 H CYS A 68 -3.757 -7.475 0.759 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.974 -8.681 -1.444 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.865 -9.288 0.532 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.647 -10.718 -0.110 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.324 -10.227 -1.637 1.00 0.00 H new