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= 0.936 USER MOD Set 1.2: A 37 CYS SG : rot -51:sc= 0.337 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= 0.226 USER MOD Set 2.1: A 19 CYS SG : rot 149:sc= 0.372 USER MOD Set 2.2: A 22 CYS SG : rot -55:sc= -0.0975 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -3.14 X(o=-2.8,f=-3.2) USER MOD Set 2.4: A 45 CYS SG : rot 129:sc= 0.0677 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= -0.0568 K(o=-0.057,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= -0.0439 (180deg=-0.413) USER MOD Single : A 40 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.6) 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 10.893 13.577 8.673 1.00 0.00 N ATOM 184 CA SER A 16 11.966 12.785 8.084 1.00 0.00 C ATOM 185 C SER A 16 11.457 11.411 7.659 1.00 0.00 C ATOM 186 O SER A 16 10.299 11.066 7.895 1.00 0.00 O ATOM 187 CB SER A 16 13.119 12.630 9.078 1.00 0.00 C ATOM 188 OG SER A 16 14.343 12.394 8.406 1.00 0.00 O ATOM 0 HA SER A 16 12.327 13.309 7.199 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.202 13.531 9.686 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.909 11.804 9.758 1.00 0.00 H new ATOM 0 HG SER A 16 15.064 12.300 9.063 1.00 0.00 H new ATOM 194 N TYR A 17 12.331 10.632 7.032 1.00 0.00 N ATOM 195 CA TYR A 17 11.971 9.296 6.571 1.00 0.00 C ATOM 196 C TYR A 17 12.848 8.237 7.232 1.00 0.00 C ATOM 197 O TYR A 17 14.052 8.170 6.983 1.00 0.00 O ATOM 198 CB TYR A 17 12.101 9.206 5.050 1.00 0.00 C ATOM 199 CG TYR A 17 11.496 10.383 4.319 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.226 10.846 4.640 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.194 11.032 3.308 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.668 11.921 3.974 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.645 12.108 2.638 1.00 0.00 C ATOM 204 CZ TYR A 17 10.382 12.549 2.975 1.00 0.00 C ATOM 205 OH TYR A 17 9.831 13.620 2.309 1.00 0.00 O ATOM 0 H TYR A 17 13.294 10.902 6.831 1.00 0.00 H new ATOM 0 HA TYR A 17 10.934 9.110 6.851 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.156 9.130 4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.621 8.290 4.706 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.665 10.358 5.423 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.183 10.689 3.041 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.679 12.267 4.234 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.201 12.601 1.855 1.00 0.00 H new ATOM 0 HH TYR A 17 10.464 13.948 1.636 1.00 0.00 H new ATOM 215 N ILE A 18 12.236 7.413 8.075 1.00 0.00 N ATOM 216 CA ILE A 18 12.959 6.356 8.770 1.00 0.00 C ATOM 217 C ILE A 18 12.448 4.979 8.362 1.00 0.00 C ATOM 218 O ILE A 18 11.245 4.716 8.393 1.00 0.00 O ATOM 219 CB ILE A 18 12.839 6.503 10.299 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.136 7.944 10.719 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.782 5.536 11.000 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.507 8.425 10.299 1.00 0.00 C ATOM 0 H ILE A 18 11.241 7.457 8.293 1.00 0.00 H new ATOM 0 HA ILE A 18 14.007 6.451 8.485 1.00 0.00 H new ATOM 0 HB ILE A 18 11.818 6.261 10.594 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.381 8.602 10.289 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.048 8.024 11.803 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.686 5.652 12.080 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.528 4.513 10.721 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.809 5.749 10.703 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.649 9.454 10.630 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.269 7.790 10.751 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.592 8.378 9.213 1.00 0.00 H new ATOM 234 N CYS A 19 13.369 4.101 7.980 1.00 0.00 N ATOM 235 CA CYS A 19 13.014 2.749 7.566 1.00 0.00 C ATOM 236 C CYS A 19 12.146 2.068 8.621 1.00 0.00 C ATOM 237 O CYS A 19 12.208 2.406 9.802 1.00 0.00 O ATOM 238 CB CYS A 19 14.276 1.921 7.317 1.00 0.00 C ATOM 239 SG CYS A 19 13.974 0.351 6.443 1.00 0.00 S ATOM 0 H CYS A 19 14.368 4.302 7.949 1.00 0.00 H new ATOM 0 HA CYS A 19 12.444 2.817 6.639 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.981 2.517 6.738 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.752 1.706 8.274 1.00 0.00 H new ATOM 0 HG CYS A 19 15.008 0.054 5.714 1.00 0.00 H new ATOM 244 N GLN A 20 11.338 1.108 8.184 1.00 0.00 N ATOM 245 CA GLN A 20 10.457 0.380 9.090 1.00 0.00 C ATOM 246 C GLN A 20 10.954 -1.046 9.304 1.00 0.00 C ATOM 247 O GLN A 20 10.186 -1.933 9.676 1.00 0.00 O ATOM 248 CB GLN A 20 9.030 0.358 8.539 1.00 0.00 C ATOM 249 CG GLN A 20 8.208 1.575 8.930 1.00 0.00 C ATOM 250 CD GLN A 20 7.744 1.528 10.373 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.808 0.485 11.023 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.275 2.661 10.881 1.00 0.00 N ATOM 0 H GLN A 20 11.275 0.816 7.209 1.00 0.00 H new ATOM 0 HA GLN A 20 10.460 0.894 10.051 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.070 0.291 7.452 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.526 -0.540 8.895 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.802 2.475 8.773 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.339 1.647 8.275 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.240 3.502 10.305 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.949 2.690 11.847 1.00 0.00 H new ATOM 261 N VAL A 21 12.244 -1.260 9.066 1.00 0.00 N ATOM 262 CA VAL A 21 12.845 -2.578 9.233 1.00 0.00 C ATOM 263 C VAL A 21 14.135 -2.495 10.040 1.00 0.00 C ATOM 264 O VAL A 21 14.389 -3.325 10.913 1.00 0.00 O ATOM 265 CB VAL A 21 13.144 -3.235 7.873 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.797 -4.595 8.069 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.870 -3.360 7.051 1.00 0.00 C ATOM 0 H VAL A 21 12.894 -0.537 8.757 1.00 0.00 H new ATOM 0 HA VAL A 21 12.122 -3.190 9.772 1.00 0.00 H new ATOM 0 HB VAL A 21 13.841 -2.599 7.327 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.001 -5.044 7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.732 -4.474 8.616 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.127 -5.242 8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.099 -3.826 6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.148 -3.974 7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.448 -2.369 6.881 1.00 0.00 H new ATOM 277 N CYS A 22 14.949 -1.487 9.743 1.00 0.00 N ATOM 278 CA CYS A 22 16.215 -1.295 10.440 1.00 0.00 C ATOM 279 C CYS A 22 16.207 0.011 11.231 1.00 0.00 C ATOM 280 O CYS A 22 17.033 0.215 12.120 1.00 0.00 O ATOM 281 CB CYS A 22 17.375 -1.293 9.443 1.00 0.00 C ATOM 282 SG CYS A 22 17.318 0.072 8.238 1.00 0.00 S ATOM 0 H CYS A 22 14.754 -0.790 9.024 1.00 0.00 H new ATOM 0 HA CYS A 22 16.346 -2.122 11.138 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.314 -1.238 9.994 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.378 -2.240 8.903 1.00 0.00 H new ATOM 0 HG CYS A 22 16.172 0.061 7.623 1.00 0.00 H new ATOM 287 N SER A 23 15.268 0.891 10.899 1.00 0.00 N ATOM 288 CA SER A 23 15.154 2.178 11.575 1.00 0.00 C ATOM 289 C SER A 23 16.395 3.032 11.330 1.00 0.00 C ATOM 290 O SER A 23 17.128 3.363 12.263 1.00 0.00 O ATOM 291 CB SER A 23 14.950 1.973 13.077 1.00 0.00 C ATOM 292 OG SER A 23 14.121 0.853 13.331 1.00 0.00 O ATOM 0 H SER A 23 14.575 0.736 10.166 1.00 0.00 H new ATOM 0 HA SER A 23 14.289 2.700 11.166 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.916 1.832 13.562 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.502 2.867 13.512 1.00 0.00 H new ATOM 0 HG SER A 23 14.008 0.743 14.298 1.00 0.00 H new ATOM 298 N ARG A 24 16.624 3.384 10.070 1.00 0.00 N ATOM 299 CA ARG A 24 17.777 4.197 9.701 1.00 0.00 C ATOM 300 C ARG A 24 17.339 5.451 8.949 1.00 0.00 C ATOM 301 O ARG A 24 16.154 5.645 8.681 1.00 0.00 O ATOM 302 CB ARG A 24 18.746 3.386 8.840 1.00 0.00 C ATOM 303 CG ARG A 24 19.707 2.529 9.648 1.00 0.00 C ATOM 304 CD ARG A 24 20.737 3.380 10.375 1.00 0.00 C ATOM 305 NE ARG A 24 21.599 2.578 11.238 1.00 0.00 N ATOM 306 CZ ARG A 24 22.624 3.076 11.921 1.00 0.00 C ATOM 307 NH1 ARG A 24 22.913 4.368 11.840 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.362 2.282 12.686 1.00 0.00 N ATOM 0 H ARG A 24 16.027 3.119 9.287 1.00 0.00 H new ATOM 0 HA ARG A 24 18.284 4.501 10.617 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.174 2.743 8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.320 4.068 8.213 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.147 1.936 10.372 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.215 1.827 8.986 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.348 3.911 9.645 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.226 4.135 10.973 1.00 0.00 H new ATOM 0 HE ARG A 24 21.404 1.580 11.321 1.00 0.00 H new ATOM 0 HH11 ARG A 24 22.348 4.981 11.253 1.00 0.00 H new ATOM 0 HH12 ARG A 24 23.700 4.748 12.365 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.143 1.288 12.750 1.00 0.00 H new ATOM 0 HH22 ARG A 24 24.149 2.666 13.210 1.00 0.00 H new ATOM 322 N GLY A 25 18.305 6.300 8.612 1.00 0.00 N ATOM 323 CA GLY A 25 18.000 7.525 7.895 1.00 0.00 C ATOM 324 C GLY A 25 18.997 7.814 6.791 1.00 0.00 C ATOM 325 O GLY A 25 18.622 8.270 5.711 1.00 0.00 O ATOM 0 H GLY A 25 19.293 6.162 8.823 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.000 7.453 7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.987 8.359 8.596 1.00 0.00 H new ATOM 329 N ASP A 26 20.270 7.551 7.062 1.00 0.00 N ATOM 330 CA ASP A 26 21.325 7.786 6.083 1.00 0.00 C ATOM 331 C ASP A 26 21.079 6.977 4.813 1.00 0.00 C ATOM 332 O ASP A 26 21.584 7.314 3.744 1.00 0.00 O ATOM 333 CB ASP A 26 22.689 7.428 6.675 1.00 0.00 C ATOM 334 CG ASP A 26 23.134 8.411 7.739 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.099 9.631 7.473 1.00 0.00 O ATOM 336 OD2 ASP A 26 23.517 7.961 8.839 1.00 0.00 O ATOM 0 H ASP A 26 20.597 7.175 7.952 1.00 0.00 H new ATOM 0 HA ASP A 26 21.317 8.845 5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.644 6.427 7.105 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.432 7.399 5.878 1.00 0.00 H new ATOM 341 N GLU A 27 20.300 5.907 4.942 1.00 0.00 N ATOM 342 CA GLU A 27 19.990 5.049 3.804 1.00 0.00 C ATOM 343 C GLU A 27 18.813 5.606 3.008 1.00 0.00 C ATOM 344 O GLU A 27 18.399 5.025 2.004 1.00 0.00 O ATOM 345 CB GLU A 27 19.671 3.630 4.280 1.00 0.00 C ATOM 346 CG GLU A 27 20.905 2.777 4.520 1.00 0.00 C ATOM 347 CD GLU A 27 21.655 2.462 3.241 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.072 2.640 2.151 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.827 2.039 3.329 1.00 0.00 O ATOM 0 H GLU A 27 19.873 5.614 5.821 1.00 0.00 H new ATOM 0 HA GLU A 27 20.865 5.019 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.094 3.687 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.040 3.140 3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.572 3.295 5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.610 1.845 5.002 1.00 0.00 H new ATOM 356 N ASP A 28 18.280 6.734 3.462 1.00 0.00 N ATOM 357 CA ASP A 28 17.152 7.371 2.793 1.00 0.00 C ATOM 358 C ASP A 28 17.420 7.519 1.298 1.00 0.00 C ATOM 359 O ASP A 28 16.492 7.536 0.490 1.00 0.00 O ATOM 360 CB ASP A 28 16.872 8.742 3.411 1.00 0.00 C ATOM 361 CG ASP A 28 18.010 9.720 3.191 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.177 9.330 3.404 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.733 10.874 2.804 1.00 0.00 O ATOM 0 H ASP A 28 18.611 7.227 4.291 1.00 0.00 H new ATOM 0 HA ASP A 28 16.277 6.735 2.926 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.957 9.151 2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.698 8.626 4.481 1.00 0.00 H new ATOM 368 N ASP A 29 18.695 7.625 0.939 1.00 0.00 N ATOM 369 CA ASP A 29 19.085 7.772 -0.459 1.00 0.00 C ATOM 370 C ASP A 29 18.445 6.686 -1.318 1.00 0.00 C ATOM 371 O ASP A 29 18.198 6.885 -2.508 1.00 0.00 O ATOM 372 CB ASP A 29 20.608 7.715 -0.594 1.00 0.00 C ATOM 373 CG ASP A 29 21.215 9.076 -0.871 1.00 0.00 C ATOM 374 OD1 ASP A 29 20.944 9.637 -1.953 1.00 0.00 O ATOM 375 OD2 ASP A 29 21.963 9.580 -0.006 1.00 0.00 O ATOM 0 H ASP A 29 19.475 7.612 1.596 1.00 0.00 H new ATOM 0 HA ASP A 29 18.733 8.742 -0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.036 7.309 0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.873 7.031 -1.400 1.00 0.00 H new ATOM 380 N LYS A 30 18.180 5.535 -0.708 1.00 0.00 N ATOM 381 CA LYS A 30 17.569 4.417 -1.416 1.00 0.00 C ATOM 382 C LYS A 30 16.287 3.969 -0.722 1.00 0.00 C ATOM 383 O LYS A 30 15.936 2.788 -0.746 1.00 0.00 O ATOM 384 CB LYS A 30 18.550 3.245 -1.504 1.00 0.00 C ATOM 385 CG LYS A 30 19.642 3.442 -2.542 1.00 0.00 C ATOM 386 CD LYS A 30 20.598 2.262 -2.577 1.00 0.00 C ATOM 387 CE LYS A 30 20.882 1.817 -4.003 1.00 0.00 C ATOM 388 NZ LYS A 30 21.302 2.956 -4.866 1.00 0.00 N ATOM 0 H LYS A 30 18.379 5.353 0.276 1.00 0.00 H new ATOM 0 HA LYS A 30 17.319 4.750 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.011 3.094 -0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.997 2.336 -1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.191 3.575 -3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.196 4.354 -2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.533 2.535 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.173 1.431 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.664 1.058 -3.998 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.990 1.353 -4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.902 2.603 -5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.460 3.418 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.838 3.643 -4.298 1.00 0.00 H new ATOM 402 N LEU A 31 15.591 4.918 -0.106 1.00 0.00 N ATOM 403 CA LEU A 31 14.346 4.621 0.594 1.00 0.00 C ATOM 404 C LEU A 31 13.159 4.666 -0.363 1.00 0.00 C ATOM 405 O LEU A 31 13.114 5.492 -1.275 1.00 0.00 O ATOM 406 CB LEU A 31 14.131 5.614 1.737 1.00 0.00 C ATOM 407 CG LEU A 31 14.322 5.062 3.150 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.085 6.151 4.185 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.392 3.882 3.392 1.00 0.00 C ATOM 0 H LEU A 31 15.867 5.899 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 31 14.421 3.614 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.817 6.450 1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.120 6.015 1.658 1.00 0.00 H new ATOM 0 HG LEU A 31 15.350 4.714 3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.225 5.740 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.792 6.965 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.068 6.530 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.542 3.502 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.357 4.204 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.610 3.093 2.672 1.00 0.00 H new ATOM 421 N LEU A 32 12.199 3.773 -0.149 1.00 0.00 N ATOM 422 CA LEU A 32 11.009 3.712 -0.991 1.00 0.00 C ATOM 423 C LEU A 32 9.799 4.295 -0.268 1.00 0.00 C ATOM 424 O LEU A 32 9.728 4.275 0.961 1.00 0.00 O ATOM 425 CB LEU A 32 10.725 2.266 -1.401 1.00 0.00 C ATOM 426 CG LEU A 32 11.568 1.717 -2.552 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.988 1.435 -2.086 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.933 0.458 -3.125 1.00 0.00 C ATOM 0 H LEU A 32 12.221 3.081 0.600 1.00 0.00 H new ATOM 0 HA LEU A 32 11.195 4.307 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.874 1.627 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.674 2.188 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 32 11.608 2.470 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.573 1.045 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.442 2.357 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.968 0.700 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.547 0.081 -3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.862 -0.301 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.935 0.691 -3.497 1.00 0.00 H new ATOM 440 N PHE A 33 8.848 4.812 -1.039 1.00 0.00 N ATOM 441 CA PHE A 33 7.640 5.400 -0.472 1.00 0.00 C ATOM 442 C PHE A 33 6.404 4.607 -0.886 1.00 0.00 C ATOM 443 O PHE A 33 6.201 4.323 -2.067 1.00 0.00 O ATOM 444 CB PHE A 33 7.498 6.857 -0.917 1.00 0.00 C ATOM 445 CG PHE A 33 8.769 7.648 -0.791 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.395 7.787 0.437 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.336 8.254 -1.901 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.564 8.515 0.556 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.505 8.982 -1.787 1.00 0.00 C ATOM 450 CZ PHE A 33 11.120 9.114 -0.557 1.00 0.00 C ATOM 0 H PHE A 33 8.891 4.836 -2.058 1.00 0.00 H new ATOM 0 HA PHE A 33 7.725 5.367 0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.166 6.881 -1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.720 7.336 -0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.965 7.321 1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.859 8.156 -2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.042 8.615 1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.938 9.448 -2.660 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.033 9.684 -0.466 1.00 0.00 H new ATOM 460 N CYS A 34 5.580 4.253 0.094 1.00 0.00 N ATOM 461 CA CYS A 34 4.364 3.492 -0.166 1.00 0.00 C ATOM 462 C CYS A 34 3.216 4.418 -0.559 1.00 0.00 C ATOM 463 O CYS A 34 3.047 5.492 0.018 1.00 0.00 O ATOM 464 CB CYS A 34 3.975 2.674 1.067 1.00 0.00 C ATOM 465 SG CYS A 34 2.343 1.873 0.944 1.00 0.00 S ATOM 0 H CYS A 34 5.732 4.481 1.076 1.00 0.00 H new ATOM 0 HA CYS A 34 4.561 2.814 -0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.732 1.908 1.235 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.983 3.327 1.940 1.00 0.00 H new ATOM 0 HG CYS A 34 2.351 0.766 1.625 1.00 0.00 H new ATOM 470 N ASP A 35 2.431 3.994 -1.543 1.00 0.00 N ATOM 471 CA ASP A 35 1.299 4.784 -2.012 1.00 0.00 C ATOM 472 C ASP A 35 0.026 4.409 -1.259 1.00 0.00 C ATOM 473 O ASP A 35 -1.031 4.224 -1.860 1.00 0.00 O ATOM 474 CB ASP A 35 1.096 4.581 -3.514 1.00 0.00 C ATOM 475 CG ASP A 35 0.051 5.518 -4.089 1.00 0.00 C ATOM 476 OD1 ASP A 35 0.259 6.748 -4.026 1.00 0.00 O ATOM 477 OD2 ASP A 35 -0.973 5.021 -4.602 1.00 0.00 O ATOM 0 H ASP A 35 2.558 3.108 -2.031 1.00 0.00 H new ATOM 0 HA ASP A 35 1.517 5.835 -1.821 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.043 4.737 -4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.797 3.550 -3.701 1.00 0.00 H new ATOM 482 N GLY A 36 0.136 4.298 0.061 1.00 0.00 N ATOM 483 CA GLY A 36 -1.013 3.945 0.875 1.00 0.00 C ATOM 484 C GLY A 36 -0.853 4.371 2.321 1.00 0.00 C ATOM 485 O GLY A 36 -1.809 4.823 2.952 1.00 0.00 O ATOM 0 H GLY A 36 1.000 4.446 0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.906 4.411 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.167 2.867 0.832 1.00 0.00 H new ATOM 489 N CYS A 37 0.358 4.225 2.848 1.00 0.00 N ATOM 490 CA CYS A 37 0.640 4.595 4.230 1.00 0.00 C ATOM 491 C CYS A 37 1.807 5.577 4.302 1.00 0.00 C ATOM 492 O CYS A 37 2.167 6.051 5.379 1.00 0.00 O ATOM 493 CB CYS A 37 0.956 3.349 5.060 1.00 0.00 C ATOM 494 SG CYS A 37 2.464 2.471 4.538 1.00 0.00 S ATOM 0 H CYS A 37 1.160 3.853 2.339 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.247 5.080 4.639 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.061 3.639 6.106 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.111 2.663 5.002 1.00 0.00 H new ATOM 0 HG CYS A 37 2.420 2.257 3.257 1.00 0.00 H new ATOM 499 N ASP A 38 2.392 5.876 3.148 1.00 0.00 N ATOM 500 CA ASP A 38 3.517 6.802 3.079 1.00 0.00 C ATOM 501 C ASP A 38 4.609 6.406 4.068 1.00 0.00 C ATOM 502 O ASP A 38 5.008 7.201 4.919 1.00 0.00 O ATOM 503 CB ASP A 38 3.048 8.230 3.364 1.00 0.00 C ATOM 504 CG ASP A 38 4.006 9.273 2.823 1.00 0.00 C ATOM 505 OD1 ASP A 38 4.853 8.919 1.976 1.00 0.00 O ATOM 506 OD2 ASP A 38 3.908 10.444 3.245 1.00 0.00 O ATOM 0 H ASP A 38 2.106 5.491 2.248 1.00 0.00 H new ATOM 0 HA ASP A 38 3.931 6.757 2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.063 8.381 2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.938 8.365 4.440 1.00 0.00 H new ATOM 511 N ASP A 39 5.086 5.171 3.950 1.00 0.00 N ATOM 512 CA ASP A 39 6.132 4.669 4.834 1.00 0.00 C ATOM 513 C ASP A 39 7.486 4.674 4.131 1.00 0.00 C ATOM 514 O ASP A 39 7.593 5.073 2.972 1.00 0.00 O ATOM 515 CB ASP A 39 5.793 3.254 5.306 1.00 0.00 C ATOM 516 CG ASP A 39 4.947 3.250 6.564 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.521 4.342 6.996 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.711 2.156 7.116 1.00 0.00 O ATOM 0 H ASP A 39 4.765 4.500 3.252 1.00 0.00 H new ATOM 0 HA ASP A 39 6.190 5.329 5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.262 2.727 4.513 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.716 2.705 5.491 1.00 0.00 H new ATOM 523 N ASN A 40 8.517 4.227 4.841 1.00 0.00 N ATOM 524 CA ASN A 40 9.865 4.182 4.285 1.00 0.00 C ATOM 525 C ASN A 40 10.441 2.772 4.372 1.00 0.00 C ATOM 526 O ASN A 40 10.542 2.197 5.456 1.00 0.00 O ATOM 527 CB ASN A 40 10.776 5.164 5.023 1.00 0.00 C ATOM 528 CG ASN A 40 10.039 6.410 5.475 1.00 0.00 C ATOM 529 OD1 ASN A 40 9.983 6.715 6.666 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.467 7.137 4.522 1.00 0.00 N ATOM 0 H ASN A 40 8.445 3.891 5.801 1.00 0.00 H new ATOM 0 HA ASN A 40 9.809 4.469 3.235 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.212 4.669 5.890 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.601 5.450 4.371 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.956 7.986 4.765 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.539 6.847 3.547 1.00 0.00 H new ATOM 537 N TYR A 41 10.819 2.222 3.223 1.00 0.00 N ATOM 538 CA TYR A 41 11.385 0.879 3.168 1.00 0.00 C ATOM 539 C TYR A 41 12.566 0.825 2.204 1.00 0.00 C ATOM 540 O TYR A 41 12.497 1.343 1.089 1.00 0.00 O ATOM 541 CB TYR A 41 10.317 -0.129 2.742 1.00 0.00 C ATOM 542 CG TYR A 41 9.282 -0.403 3.810 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.512 -1.348 4.802 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.074 0.284 3.827 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.569 -1.602 5.779 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.126 0.038 4.801 1.00 0.00 C ATOM 547 CZ TYR A 41 7.378 -0.906 5.774 1.00 0.00 C ATOM 548 OH TYR A 41 6.436 -1.155 6.746 1.00 0.00 O ATOM 0 H TYR A 41 10.744 2.685 2.317 1.00 0.00 H new ATOM 0 HA TYR A 41 11.742 0.621 4.165 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.815 0.242 1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.802 -1.066 2.469 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.444 -1.893 4.809 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.873 1.023 3.065 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.763 -2.341 6.542 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.193 0.582 4.800 1.00 0.00 H new ATOM 0 HH TYR A 41 5.656 -0.580 6.600 1.00 0.00 H new ATOM 558 N HIS A 42 13.650 0.191 2.642 1.00 0.00 N ATOM 559 CA HIS A 42 14.847 0.067 1.818 1.00 0.00 C ATOM 560 C HIS A 42 14.690 -1.057 0.798 1.00 0.00 C ATOM 561 O HIS A 42 13.686 -1.770 0.796 1.00 0.00 O ATOM 562 CB HIS A 42 16.071 -0.194 2.697 1.00 0.00 C ATOM 563 CG HIS A 42 16.404 0.943 3.613 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.043 0.772 4.822 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.185 2.273 3.489 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.201 1.948 5.404 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.689 2.875 4.615 1.00 0.00 N ATOM 0 H HIS A 42 13.724 -0.244 3.562 1.00 0.00 H new ATOM 0 HA HIS A 42 14.988 1.005 1.281 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.896 -1.090 3.292 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.930 -0.399 2.058 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.703 2.768 2.659 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.669 2.121 6.362 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.671 3.876 4.811 1.00 0.00 H new ATOM 575 N ILE A 43 15.686 -1.206 -0.068 1.00 0.00 N ATOM 576 CA ILE A 43 15.658 -2.243 -1.093 1.00 0.00 C ATOM 577 C ILE A 43 16.360 -3.509 -0.614 1.00 0.00 C ATOM 578 O ILE A 43 16.325 -4.542 -1.282 1.00 0.00 O ATOM 579 CB ILE A 43 16.322 -1.763 -2.397 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.743 -1.267 -2.119 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.489 -0.666 -3.043 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.636 -1.277 -3.340 1.00 0.00 C ATOM 0 H ILE A 43 16.522 -0.622 -0.081 1.00 0.00 H new ATOM 0 HA ILE A 43 14.609 -2.465 -1.289 1.00 0.00 H new ATOM 0 HB ILE A 43 16.380 -2.603 -3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.694 -0.253 -1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.192 -1.890 -1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 43 15.971 -0.337 -3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.495 -1.051 -3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.403 0.177 -2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.627 -0.913 -3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.715 -2.294 -3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.210 -0.631 -4.108 1.00 0.00 H new ATOM 594 N PHE A 44 16.997 -3.422 0.549 1.00 0.00 N ATOM 595 CA PHE A 44 17.707 -4.561 1.119 1.00 0.00 C ATOM 596 C PHE A 44 17.146 -4.920 2.492 1.00 0.00 C ATOM 597 O PHE A 44 17.783 -5.632 3.269 1.00 0.00 O ATOM 598 CB PHE A 44 19.202 -4.253 1.231 1.00 0.00 C ATOM 599 CG PHE A 44 19.495 -2.940 1.899 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.605 -2.858 3.277 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.661 -1.787 1.147 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.874 -1.650 3.894 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.930 -0.577 1.759 1.00 0.00 C ATOM 604 CZ PHE A 44 20.038 -0.509 3.134 1.00 0.00 C ATOM 0 H PHE A 44 17.036 -2.574 1.115 1.00 0.00 H new ATOM 0 HA PHE A 44 17.567 -5.414 0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.689 -5.052 1.790 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.640 -4.249 0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.479 -3.747 3.877 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.579 -1.835 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.956 -1.599 4.970 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.056 0.314 1.162 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.250 0.435 3.614 1.00 0.00 H new ATOM 614 N CYS A 45 15.950 -4.421 2.785 1.00 0.00 N ATOM 615 CA CYS A 45 15.302 -4.687 4.063 1.00 0.00 C ATOM 616 C CYS A 45 14.050 -5.537 3.872 1.00 0.00 C ATOM 617 O CYS A 45 13.608 -6.227 4.792 1.00 0.00 O ATOM 618 CB CYS A 45 14.938 -3.373 4.757 1.00 0.00 C ATOM 619 SG CYS A 45 16.321 -2.596 5.652 1.00 0.00 S ATOM 0 H CYS A 45 15.410 -3.830 2.154 1.00 0.00 H new ATOM 0 HA CYS A 45 16.003 -5.239 4.689 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.563 -2.672 4.011 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.124 -3.558 5.458 1.00 0.00 H new ATOM 0 HG CYS A 45 16.428 -1.352 5.290 1.00 0.00 H new ATOM 624 N LEU A 46 13.483 -5.484 2.672 1.00 0.00 N ATOM 625 CA LEU A 46 12.281 -6.250 2.358 1.00 0.00 C ATOM 626 C LEU A 46 12.600 -7.736 2.237 1.00 0.00 C ATOM 627 O LEU A 46 13.696 -8.178 2.584 1.00 0.00 O ATOM 628 CB LEU A 46 11.655 -5.743 1.058 1.00 0.00 C ATOM 629 CG LEU A 46 11.558 -4.225 0.906 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.332 -3.847 -0.550 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.442 -3.672 1.781 1.00 0.00 C ATOM 0 H LEU A 46 13.836 -4.919 1.900 1.00 0.00 H new ATOM 0 HA LEU A 46 11.570 -6.115 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.235 -6.135 0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.652 -6.161 0.974 1.00 0.00 H new ATOM 0 HG LEU A 46 12.501 -3.786 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.266 -2.763 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.164 -4.210 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.404 -4.297 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.387 -2.590 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.493 -4.119 1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.646 -3.911 2.825 1.00 0.00 H new ATOM 643 N LEU A 47 11.635 -8.504 1.743 1.00 0.00 N ATOM 644 CA LEU A 47 11.813 -9.942 1.573 1.00 0.00 C ATOM 645 C LEU A 47 10.663 -10.542 0.770 1.00 0.00 C ATOM 646 O LEU A 47 9.548 -10.708 1.265 1.00 0.00 O ATOM 647 CB LEU A 47 11.909 -10.628 2.937 1.00 0.00 C ATOM 648 CG LEU A 47 12.935 -11.757 3.050 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.482 -11.841 4.466 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.316 -13.083 2.635 1.00 0.00 C ATOM 0 H LEU A 47 10.721 -8.155 1.453 1.00 0.00 H new ATOM 0 HA LEU A 47 12.740 -10.106 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.146 -9.872 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.928 -11.029 3.189 1.00 0.00 H new ATOM 0 HG LEU A 47 13.763 -11.539 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.210 -12.650 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.963 -10.898 4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.665 -12.035 5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.060 -13.875 2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.469 -13.308 3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.974 -13.018 1.602 1.00 0.00 H new ATOM 662 N PRO A 48 10.939 -10.878 -0.499 1.00 0.00 N ATOM 663 CA PRO A 48 12.263 -10.684 -1.099 1.00 0.00 C ATOM 664 C PRO A 48 12.592 -9.211 -1.314 1.00 0.00 C ATOM 665 O PRO A 48 11.715 -8.384 -1.565 1.00 0.00 O ATOM 666 CB PRO A 48 12.153 -11.409 -2.442 1.00 0.00 C ATOM 667 CG PRO A 48 10.698 -11.391 -2.765 1.00 0.00 C ATOM 668 CD PRO A 48 9.981 -11.472 -1.446 1.00 0.00 C ATOM 0 HA PRO A 48 13.060 -11.062 -0.459 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.736 -10.905 -3.213 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.531 -12.429 -2.373 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.428 -10.481 -3.301 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.430 -12.230 -3.407 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.041 -10.921 -1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.741 -12.502 -1.182 1.00 0.00 H new ATOM 676 N PRO A 49 13.886 -8.873 -1.213 1.00 0.00 N ATOM 677 CA PRO A 49 14.361 -7.497 -1.394 1.00 0.00 C ATOM 678 C PRO A 49 14.250 -7.032 -2.842 1.00 0.00 C ATOM 679 O PRO A 49 13.769 -7.766 -3.706 1.00 0.00 O ATOM 680 CB PRO A 49 15.829 -7.570 -0.967 1.00 0.00 C ATOM 681 CG PRO A 49 16.219 -8.990 -1.190 1.00 0.00 C ATOM 682 CD PRO A 49 14.986 -9.806 -0.916 1.00 0.00 C ATOM 0 HA PRO A 49 13.771 -6.783 -0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.447 -6.893 -1.557 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.952 -7.285 0.078 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.569 -9.143 -2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.034 -9.280 -0.527 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.942 -10.693 -1.548 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.953 -10.150 0.118 1.00 0.00 H new ATOM 690 N LEU A 50 14.699 -5.809 -3.101 1.00 0.00 N ATOM 691 CA LEU A 50 14.650 -5.245 -4.446 1.00 0.00 C ATOM 692 C LEU A 50 16.037 -4.803 -4.901 1.00 0.00 C ATOM 693 O LEU A 50 16.939 -4.575 -4.094 1.00 0.00 O ATOM 694 CB LEU A 50 13.685 -4.059 -4.488 1.00 0.00 C ATOM 695 CG LEU A 50 12.200 -4.406 -4.602 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.345 -3.162 -4.418 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.907 -5.063 -5.943 1.00 0.00 C ATOM 0 H LEU A 50 15.101 -5.189 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 50 14.294 -6.019 -5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.831 -3.466 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.956 -3.426 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 50 11.951 -5.113 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.292 -3.429 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.533 -2.734 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.597 -2.431 -5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.846 -5.303 -6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.173 -4.379 -6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.492 -5.978 -6.035 1.00 0.00 H new ATOM 709 N PRO A 51 16.213 -4.675 -6.225 1.00 0.00 N ATOM 710 CA PRO A 51 17.487 -4.256 -6.817 1.00 0.00 C ATOM 711 C PRO A 51 17.804 -2.792 -6.535 1.00 0.00 C ATOM 712 O PRO A 51 18.936 -2.446 -6.201 1.00 0.00 O ATOM 713 CB PRO A 51 17.270 -4.477 -8.316 1.00 0.00 C ATOM 714 CG PRO A 51 15.795 -4.383 -8.504 1.00 0.00 C ATOM 715 CD PRO A 51 15.182 -4.929 -7.245 1.00 0.00 C ATOM 0 HA PRO A 51 18.330 -4.813 -6.407 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.793 -3.725 -8.907 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.648 -5.449 -8.631 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.488 -3.351 -8.672 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.475 -4.956 -9.374 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.245 -4.426 -7.003 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.959 -5.992 -7.335 1.00 0.00 H new ATOM 723 N GLU A 52 16.796 -1.936 -6.672 1.00 0.00 N ATOM 724 CA GLU A 52 16.969 -0.508 -6.431 1.00 0.00 C ATOM 725 C GLU A 52 15.625 0.214 -6.451 1.00 0.00 C ATOM 726 O GLU A 52 14.579 -0.404 -6.653 1.00 0.00 O ATOM 727 CB GLU A 52 17.902 0.099 -7.481 1.00 0.00 C ATOM 728 CG GLU A 52 17.337 0.062 -8.891 1.00 0.00 C ATOM 729 CD GLU A 52 18.105 0.951 -9.850 1.00 0.00 C ATOM 730 OE1 GLU A 52 18.964 1.727 -9.383 1.00 0.00 O ATOM 731 OE2 GLU A 52 17.847 0.869 -11.070 1.00 0.00 O ATOM 0 H GLU A 52 15.852 -2.206 -6.948 1.00 0.00 H new ATOM 0 HA GLU A 52 17.414 -0.383 -5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.115 1.133 -7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.851 -0.437 -7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.355 -0.964 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.293 0.374 -8.869 1.00 0.00 H new ATOM 738 N ILE A 53 15.661 1.525 -6.240 1.00 0.00 N ATOM 739 CA ILE A 53 14.447 2.332 -6.234 1.00 0.00 C ATOM 740 C ILE A 53 13.617 2.086 -7.490 1.00 0.00 C ATOM 741 O ILE A 53 14.123 2.108 -8.612 1.00 0.00 O ATOM 742 CB ILE A 53 14.769 3.834 -6.131 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.192 4.191 -4.705 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.567 4.664 -6.556 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.067 4.092 -3.698 1.00 0.00 C ATOM 0 H ILE A 53 16.518 2.051 -6.071 1.00 0.00 H new ATOM 0 HA ILE A 53 13.873 2.031 -5.357 1.00 0.00 H new ATOM 0 HB ILE A 53 15.597 4.059 -6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.002 3.529 -4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.589 5.206 -4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.810 5.724 -6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.307 4.427 -7.588 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.721 4.437 -5.908 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.439 4.359 -2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.265 4.774 -3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.685 3.071 -3.678 1.00 0.00 H new ATOM 757 N PRO A 54 12.311 1.847 -7.300 1.00 0.00 N ATOM 758 CA PRO A 54 11.383 1.594 -8.406 1.00 0.00 C ATOM 759 C PRO A 54 11.132 2.841 -9.248 1.00 0.00 C ATOM 760 O PRO A 54 11.579 3.935 -8.902 1.00 0.00 O ATOM 761 CB PRO A 54 10.098 1.160 -7.698 1.00 0.00 C ATOM 762 CG PRO A 54 10.180 1.782 -6.347 1.00 0.00 C ATOM 763 CD PRO A 54 11.640 1.805 -5.989 1.00 0.00 C ATOM 0 HA PRO A 54 11.773 0.853 -9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.214 1.501 -8.238 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.031 0.074 -7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.765 2.790 -6.356 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.608 1.208 -5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.891 2.674 -5.381 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.928 0.922 -5.418 1.00 0.00 H new ATOM 771 N ARG A 55 10.416 2.668 -10.353 1.00 0.00 N ATOM 772 CA ARG A 55 10.106 3.779 -11.245 1.00 0.00 C ATOM 773 C ARG A 55 8.726 4.353 -10.939 1.00 0.00 C ATOM 774 O ARG A 55 8.606 5.426 -10.350 1.00 0.00 O ATOM 775 CB ARG A 55 10.169 3.323 -12.704 1.00 0.00 C ATOM 776 CG ARG A 55 11.583 3.230 -13.253 1.00 0.00 C ATOM 777 CD ARG A 55 11.584 3.069 -14.765 1.00 0.00 C ATOM 778 NE ARG A 55 12.866 2.575 -15.262 1.00 0.00 N ATOM 779 CZ ARG A 55 13.097 2.287 -16.538 1.00 0.00 C ATOM 780 NH1 ARG A 55 12.139 2.443 -17.441 1.00 0.00 N ATOM 781 NH2 ARG A 55 14.289 1.842 -16.913 1.00 0.00 N ATOM 0 H ARG A 55 10.039 1.769 -10.653 1.00 0.00 H new ATOM 0 HA ARG A 55 10.849 4.560 -11.084 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.689 2.348 -12.792 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.595 4.017 -13.318 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.140 4.127 -12.981 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.097 2.385 -12.796 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.792 2.379 -15.057 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.359 4.028 -15.232 1.00 0.00 H new ATOM 0 HE ARG A 55 13.625 2.444 -14.593 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.221 2.785 -17.157 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.320 2.221 -18.420 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.029 1.721 -16.221 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.466 1.621 -17.893 1.00 0.00 H new ATOM 795 N GLY A 56 7.687 3.631 -11.345 1.00 0.00 N ATOM 796 CA GLY A 56 6.329 4.085 -11.106 1.00 0.00 C ATOM 797 C GLY A 56 5.968 4.084 -9.634 1.00 0.00 C ATOM 798 O GLY A 56 6.812 4.359 -8.781 1.00 0.00 O ATOM 0 H GLY A 56 7.761 2.740 -11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.210 5.092 -11.505 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.634 3.443 -11.648 1.00 0.00 H new ATOM 802 N ILE A 57 4.711 3.775 -9.335 1.00 0.00 N ATOM 803 CA ILE A 57 4.240 3.741 -7.956 1.00 0.00 C ATOM 804 C ILE A 57 4.623 2.430 -7.277 1.00 0.00 C ATOM 805 O ILE A 57 4.404 1.349 -7.824 1.00 0.00 O ATOM 806 CB ILE A 57 2.713 3.919 -7.878 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.304 5.269 -8.470 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.239 3.802 -6.437 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.807 5.441 -8.607 1.00 0.00 C ATOM 0 H ILE A 57 4.000 3.545 -10.029 1.00 0.00 H new ATOM 0 HA ILE A 57 4.721 4.571 -7.438 1.00 0.00 H new ATOM 0 HB ILE A 57 2.240 3.129 -8.461 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.697 6.067 -7.840 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.766 5.381 -9.451 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.157 3.930 -6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.502 2.819 -6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.717 4.573 -5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.591 6.421 -9.033 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.410 4.665 -9.261 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.340 5.361 -7.625 1.00 0.00 H new ATOM 821 N TRP A 58 5.195 2.534 -6.083 1.00 0.00 N ATOM 822 CA TRP A 58 5.607 1.356 -5.328 1.00 0.00 C ATOM 823 C TRP A 58 4.848 1.262 -4.009 1.00 0.00 C ATOM 824 O TRP A 58 4.616 2.270 -3.343 1.00 0.00 O ATOM 825 CB TRP A 58 7.113 1.396 -5.062 1.00 0.00 C ATOM 826 CG TRP A 58 7.600 0.251 -4.227 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.114 -0.931 -4.677 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.615 0.179 -2.797 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.449 -1.733 -3.613 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.153 -1.075 -2.448 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.228 1.053 -1.777 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.312 -1.475 -1.124 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.386 0.655 -0.463 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.925 -0.599 -0.146 1.00 0.00 C ATOM 0 H TRP A 58 5.384 3.421 -5.617 1.00 0.00 H new ATOM 0 HA TRP A 58 5.374 0.474 -5.924 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.643 1.393 -6.014 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.362 2.332 -4.562 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.239 -1.197 -5.716 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.853 -2.667 -3.679 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.813 2.022 -2.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.726 -2.442 -0.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.089 1.322 0.333 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.037 -0.880 0.891 1.00 0.00 H new ATOM 845 N ARG A 59 4.464 0.045 -3.638 1.00 0.00 N ATOM 846 CA ARG A 59 3.730 -0.180 -2.399 1.00 0.00 C ATOM 847 C ARG A 59 4.515 -1.090 -1.459 1.00 0.00 C ATOM 848 O ARG A 59 5.415 -1.813 -1.886 1.00 0.00 O ATOM 849 CB ARG A 59 2.361 -0.796 -2.697 1.00 0.00 C ATOM 850 CG ARG A 59 1.206 0.179 -2.533 1.00 0.00 C ATOM 851 CD ARG A 59 -0.048 -0.523 -2.035 1.00 0.00 C ATOM 852 NE ARG A 59 -1.160 -0.385 -2.972 1.00 0.00 N ATOM 853 CZ ARG A 59 -2.431 -0.582 -2.638 1.00 0.00 C ATOM 854 NH1 ARG A 59 -2.748 -0.924 -1.397 1.00 0.00 N ATOM 855 NH2 ARG A 59 -3.387 -0.437 -3.546 1.00 0.00 N ATOM 0 H ARG A 59 4.649 -0.800 -4.178 1.00 0.00 H new ATOM 0 HA ARG A 59 3.589 0.784 -1.910 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.359 -1.180 -3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.203 -1.648 -2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.488 0.964 -1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.999 0.663 -3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.166 -1.580 -1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.335 -0.110 -1.068 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.949 -0.123 -3.935 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.016 -1.036 -0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.724 -1.075 -1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.147 -0.174 -4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.362 -0.589 -3.288 1.00 0.00 H new ATOM 869 N CYS A 60 4.169 -1.048 -0.177 1.00 0.00 N ATOM 870 CA CYS A 60 4.841 -1.866 0.825 1.00 0.00 C ATOM 871 C CYS A 60 4.065 -3.154 1.085 1.00 0.00 C ATOM 872 O CYS A 60 2.868 -3.252 0.814 1.00 0.00 O ATOM 873 CB CYS A 60 5.003 -1.083 2.129 1.00 0.00 C ATOM 874 SG CYS A 60 3.482 -0.978 3.126 1.00 0.00 S ATOM 0 H CYS A 60 3.426 -0.455 0.193 1.00 0.00 H new ATOM 0 HA CYS A 60 5.827 -2.128 0.442 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.785 -1.551 2.727 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.342 -0.074 1.895 1.00 0.00 H new ATOM 0 HG CYS A 60 3.301 0.250 3.514 1.00 0.00 H new ATOM 879 N PRO A 61 4.762 -4.167 1.622 1.00 0.00 N ATOM 880 CA PRO A 61 4.159 -5.466 1.931 1.00 0.00 C ATOM 881 C PRO A 61 3.182 -5.389 3.100 1.00 0.00 C ATOM 882 O PRO A 61 2.281 -6.218 3.226 1.00 0.00 O ATOM 883 CB PRO A 61 5.363 -6.338 2.298 1.00 0.00 C ATOM 884 CG PRO A 61 6.397 -5.376 2.771 1.00 0.00 C ATOM 885 CD PRO A 61 6.192 -4.120 1.970 1.00 0.00 C ATOM 0 HA PRO A 61 3.574 -5.852 1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.108 -7.059 3.075 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.716 -6.908 1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.289 -5.180 3.838 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.400 -5.776 2.620 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.435 -3.230 2.550 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.822 -4.103 1.080 1.00 0.00 H new ATOM 893 N LYS A 62 3.366 -4.387 3.953 1.00 0.00 N ATOM 894 CA LYS A 62 2.500 -4.199 5.111 1.00 0.00 C ATOM 895 C LYS A 62 1.111 -3.736 4.683 1.00 0.00 C ATOM 896 O LYS A 62 0.146 -3.854 5.438 1.00 0.00 O ATOM 897 CB LYS A 62 3.115 -3.180 6.073 1.00 0.00 C ATOM 898 CG LYS A 62 3.931 -3.812 7.188 1.00 0.00 C ATOM 899 CD LYS A 62 3.149 -3.867 8.490 1.00 0.00 C ATOM 900 CE LYS A 62 3.245 -5.238 9.140 1.00 0.00 C ATOM 901 NZ LYS A 62 4.474 -5.374 9.969 1.00 0.00 N ATOM 0 H LYS A 62 4.108 -3.692 3.864 1.00 0.00 H new ATOM 0 HA LYS A 62 2.403 -5.158 5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.752 -2.499 5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.318 -2.580 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.226 -4.820 6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.848 -3.242 7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.529 -3.110 9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.103 -3.627 8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.366 -5.407 9.763 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.241 -6.007 8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.502 -6.322 10.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.313 -5.238 9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.466 -4.657 10.722 1.00 0.00 H new ATOM 915 N CYS A 63 1.017 -3.209 3.467 1.00 0.00 N ATOM 916 CA CYS A 63 -0.253 -2.729 2.937 1.00 0.00 C ATOM 917 C CYS A 63 -0.842 -3.728 1.945 1.00 0.00 C ATOM 918 O CYS A 63 -2.045 -3.992 1.954 1.00 0.00 O ATOM 919 CB CYS A 63 -0.066 -1.371 2.258 1.00 0.00 C ATOM 920 SG CYS A 63 -0.005 0.036 3.415 1.00 0.00 S ATOM 0 H CYS A 63 1.806 -3.104 2.830 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.947 -2.619 3.771 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.856 -1.391 1.678 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.883 -1.213 1.553 1.00 0.00 H new ATOM 0 HG CYS A 63 1.226 0.432 3.552 1.00 0.00 H new ATOM 925 N ILE A 64 0.014 -4.281 1.092 1.00 0.00 N ATOM 926 CA ILE A 64 -0.420 -5.252 0.096 1.00 0.00 C ATOM 927 C ILE A 64 -0.896 -6.542 0.756 1.00 0.00 C ATOM 928 O ILE A 64 -1.942 -7.086 0.398 1.00 0.00 O ATOM 929 CB ILE A 64 0.710 -5.584 -0.897 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.192 -4.312 -1.597 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.235 -6.608 -1.916 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.571 -4.443 -2.205 1.00 0.00 C ATOM 0 H ILE A 64 1.012 -4.073 1.071 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.248 -4.797 -0.447 1.00 0.00 H new ATOM 0 HB ILE A 64 1.546 -6.012 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.482 -4.047 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.196 -3.491 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.044 -6.832 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.065 -7.521 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.615 -6.206 -2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.848 -3.504 -2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.293 -4.678 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.567 -5.242 -2.947 1.00 0.00 H new ATOM 944 N LEU A 65 -0.124 -7.025 1.723 1.00 0.00 N ATOM 945 CA LEU A 65 -0.467 -8.250 2.436 1.00 0.00 C ATOM 946 C LEU A 65 -1.738 -8.064 3.259 1.00 0.00 C ATOM 947 O LEU A 65 -2.369 -9.035 3.673 1.00 0.00 O ATOM 948 CB LEU A 65 0.686 -8.674 3.347 1.00 0.00 C ATOM 949 CG LEU A 65 1.994 -9.042 2.646 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.124 -9.167 3.656 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.834 -10.335 1.860 1.00 0.00 C ATOM 0 H LEU A 65 0.744 -6.587 2.031 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.645 -9.032 1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.888 -7.863 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.360 -9.530 3.938 1.00 0.00 H new ATOM 0 HG LEU A 65 2.245 -8.244 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.047 -9.429 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.256 -8.217 4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.880 -9.944 4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.775 -10.581 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.558 -11.142 2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.054 -10.210 1.109 1.00 0.00 H new ATOM 963 N ALA A 66 -2.108 -6.808 3.490 1.00 0.00 N ATOM 964 CA ALA A 66 -3.306 -6.494 4.259 1.00 0.00 C ATOM 965 C ALA A 66 -4.535 -6.427 3.359 1.00 0.00 C ATOM 966 O ALA A 66 -5.576 -7.004 3.671 1.00 0.00 O ATOM 967 CB ALA A 66 -3.124 -5.182 5.007 1.00 0.00 C ATOM 0 H ALA A 66 -1.595 -5.992 3.156 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.463 -7.293 4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.026 -4.960 5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.276 -5.266 5.687 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.939 -4.379 4.294 1.00 0.00 H new ATOM 973 N GLU A 67 -4.406 -5.718 2.242 1.00 0.00 N ATOM 974 CA GLU A 67 -5.508 -5.574 1.298 1.00 0.00 C ATOM 975 C GLU A 67 -5.781 -6.891 0.576 1.00 0.00 C ATOM 976 O GLU A 67 -6.931 -7.230 0.295 1.00 0.00 O ATOM 977 CB GLU A 67 -5.197 -4.476 0.279 1.00 0.00 C ATOM 978 CG GLU A 67 -5.247 -3.073 0.861 1.00 0.00 C ATOM 979 CD GLU A 67 -6.652 -2.506 0.895 1.00 0.00 C ATOM 980 OE1 GLU A 67 -7.370 -2.639 -0.118 1.00 0.00 O ATOM 981 OE2 GLU A 67 -7.035 -1.928 1.934 1.00 0.00 O ATOM 0 H GLU A 67 -3.550 -5.235 1.969 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.400 -5.295 1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.206 -4.651 -0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.908 -4.544 -0.544 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.841 -3.088 1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.608 -2.416 0.271 1.00 0.00 H new ATOM 988 N CYS A 68 -4.716 -7.626 0.278 1.00 0.00 N ATOM 989 CA CYS A 68 -4.839 -8.905 -0.413 1.00 0.00 C ATOM 990 C CYS A 68 -5.679 -9.884 0.400 1.00 0.00 C ATOM 991 O CYS A 68 -6.804 -10.214 0.025 1.00 0.00 O ATOM 992 CB CYS A 68 -3.455 -9.500 -0.679 1.00 0.00 C ATOM 993 SG CYS A 68 -3.491 -11.152 -1.413 1.00 0.00 S ATOM 0 H CYS A 68 -3.758 -7.359 0.504 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.340 -8.729 -1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.905 -8.832 -1.341 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.903 -9.543 0.260 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.274 -11.569 -1.602 1.00 0.00 H new