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 150:sc= 0.838 USER MOD Set 1.2: A 37 CYS SG : rot -51:sc= 0.358 USER MOD Set 1.3: A 60 CYS SG : rot -132:sc= 0.367 USER MOD Set 1.4: A 63 CYS SG : rot 105:sc= 0.23 USER MOD Set 2.1: A 19 CYS SG : rot 148:sc= 0.394 USER MOD Set 2.2: A 22 CYS SG : rot -56:sc= -0.0638 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -3.05 X(o=-2.6,f=-3) USER MOD Set 2.4: A 45 CYS SG : rot 129:sc= 0.0742 USER MOD Single : A 16 SER OG : rot 28:sc= 0.194 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0357 K(o=-0.036,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= -0.0593 (180deg=-0.531) USER MOD Single : A 40 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.8) 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 10.784 13.702 8.507 1.00 0.00 N ATOM 184 CA SER A 16 11.872 12.876 7.996 1.00 0.00 C ATOM 185 C SER A 16 11.363 11.495 7.595 1.00 0.00 C ATOM 186 O SER A 16 10.225 11.131 7.891 1.00 0.00 O ATOM 187 CB SER A 16 12.975 12.741 9.048 1.00 0.00 C ATOM 188 OG SER A 16 13.351 14.008 9.558 1.00 0.00 O ATOM 0 HA SER A 16 12.282 13.364 7.111 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.629 12.106 9.863 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.843 12.250 8.608 1.00 0.00 H new ATOM 0 HG SER A 16 12.589 14.622 9.503 1.00 0.00 H new ATOM 194 N TYR A 17 12.215 10.731 6.920 1.00 0.00 N ATOM 195 CA TYR A 17 11.852 9.391 6.476 1.00 0.00 C ATOM 196 C TYR A 17 12.742 8.340 7.132 1.00 0.00 C ATOM 197 O TYR A 17 13.939 8.263 6.854 1.00 0.00 O ATOM 198 CB TYR A 17 11.960 9.289 4.954 1.00 0.00 C ATOM 199 CG TYR A 17 11.335 10.456 4.223 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.101 10.963 4.610 1.00 0.00 C ATOM 201 CD2 TYR A 17 11.979 11.051 3.145 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.526 12.029 3.945 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.412 12.118 2.475 1.00 0.00 C ATOM 204 CZ TYR A 17 10.186 12.603 2.878 1.00 0.00 C ATOM 205 OH TYR A 17 9.617 13.665 2.213 1.00 0.00 O ATOM 0 H TYR A 17 13.161 11.017 6.669 1.00 0.00 H new ATOM 0 HA TYR A 17 10.820 9.204 6.774 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.012 9.219 4.677 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.481 8.367 4.625 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.582 10.516 5.445 1.00 0.00 H new ATOM 0 HD2 TYR A 17 12.939 10.673 2.825 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.566 12.411 4.259 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.927 12.570 1.640 1.00 0.00 H new ATOM 0 HH TYR A 17 10.210 13.953 1.488 1.00 0.00 H new ATOM 215 N ILE A 18 12.149 7.531 8.003 1.00 0.00 N ATOM 216 CA ILE A 18 12.886 6.483 8.698 1.00 0.00 C ATOM 217 C ILE A 18 12.400 5.099 8.281 1.00 0.00 C ATOM 218 O ILE A 18 11.197 4.839 8.238 1.00 0.00 O ATOM 219 CB ILE A 18 12.757 6.622 10.226 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.041 8.063 10.655 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.703 5.658 10.927 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.432 8.537 10.297 1.00 0.00 C ATOM 0 H ILE A 18 11.159 7.581 8.244 1.00 0.00 H new ATOM 0 HA ILE A 18 13.933 6.596 8.419 1.00 0.00 H new ATOM 0 HB ILE A 18 11.736 6.372 10.514 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.310 8.723 10.189 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.904 8.146 11.733 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.600 5.768 12.007 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.457 4.635 10.641 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.730 5.879 10.636 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.563 9.566 10.631 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.170 7.900 10.785 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.567 8.486 9.217 1.00 0.00 H new ATOM 234 N CYS A 19 13.342 4.214 7.975 1.00 0.00 N ATOM 235 CA CYS A 19 13.010 2.855 7.563 1.00 0.00 C ATOM 236 C CYS A 19 12.148 2.163 8.614 1.00 0.00 C ATOM 237 O CYS A 19 12.203 2.501 9.796 1.00 0.00 O ATOM 238 CB CYS A 19 14.287 2.047 7.322 1.00 0.00 C ATOM 239 SG CYS A 19 14.014 0.466 6.460 1.00 0.00 S ATOM 0 H CYS A 19 14.342 4.413 8.004 1.00 0.00 H new ATOM 0 HA CYS A 19 12.443 2.912 6.634 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.982 2.651 6.739 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.765 1.848 8.281 1.00 0.00 H new ATOM 0 HG CYS A 19 15.052 0.186 5.729 1.00 0.00 H new ATOM 244 N GLN A 20 11.354 1.193 8.174 1.00 0.00 N ATOM 245 CA GLN A 20 10.480 0.453 9.077 1.00 0.00 C ATOM 246 C GLN A 20 11.004 -0.961 9.305 1.00 0.00 C ATOM 247 O GLN A 20 10.249 -1.862 9.672 1.00 0.00 O ATOM 248 CB GLN A 20 9.058 0.398 8.514 1.00 0.00 C ATOM 249 CG GLN A 20 8.201 1.589 8.910 1.00 0.00 C ATOM 250 CD GLN A 20 7.699 1.498 10.338 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.818 0.457 10.985 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.133 2.590 10.837 1.00 0.00 N ATOM 0 H GLN A 20 11.298 0.901 7.198 1.00 0.00 H new ATOM 0 HA GLN A 20 10.464 0.974 10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.108 0.343 7.427 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.575 -0.517 8.858 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.780 2.504 8.790 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.349 1.660 8.233 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.055 3.431 10.265 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.776 2.588 11.792 1.00 0.00 H new ATOM 261 N VAL A 21 12.301 -1.148 9.087 1.00 0.00 N ATOM 262 CA VAL A 21 12.927 -2.453 9.269 1.00 0.00 C ATOM 263 C VAL A 21 14.214 -2.336 10.077 1.00 0.00 C ATOM 264 O VAL A 21 14.478 -3.147 10.966 1.00 0.00 O ATOM 265 CB VAL A 21 13.241 -3.118 7.916 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.919 -4.464 8.128 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.972 -3.275 7.092 1.00 0.00 C ATOM 0 H VAL A 21 12.940 -0.413 8.784 1.00 0.00 H new ATOM 0 HA VAL A 21 12.215 -3.073 9.813 1.00 0.00 H new ATOM 0 HB VAL A 21 13.927 -2.475 7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.134 -4.920 7.161 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.850 -4.320 8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.259 -5.118 8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.213 -3.747 6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.260 -3.897 7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.532 -2.294 6.910 1.00 0.00 H new ATOM 277 N CYS A 22 15.014 -1.322 9.764 1.00 0.00 N ATOM 278 CA CYS A 22 16.275 -1.098 10.460 1.00 0.00 C ATOM 279 C CYS A 22 16.241 0.214 11.238 1.00 0.00 C ATOM 280 O CYS A 22 17.063 0.443 12.125 1.00 0.00 O ATOM 281 CB CYS A 22 17.436 -1.083 9.464 1.00 0.00 C ATOM 282 SG CYS A 22 17.354 0.269 8.247 1.00 0.00 S ATOM 0 H CYS A 22 14.811 -0.642 9.032 1.00 0.00 H new ATOM 0 HA CYS A 22 16.422 -1.915 11.166 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.373 -1.005 10.016 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.457 -2.035 8.933 1.00 0.00 H new ATOM 0 HG CYS A 22 16.217 0.219 7.618 1.00 0.00 H new ATOM 287 N SER A 23 15.284 1.072 10.900 1.00 0.00 N ATOM 288 CA SER A 23 15.144 2.363 11.563 1.00 0.00 C ATOM 289 C SER A 23 16.367 3.239 11.310 1.00 0.00 C ATOM 290 O SER A 23 17.093 3.594 12.239 1.00 0.00 O ATOM 291 CB SER A 23 14.945 2.168 13.068 1.00 0.00 C ATOM 292 OG SER A 23 14.094 1.065 13.331 1.00 0.00 O ATOM 0 H SER A 23 14.593 0.896 10.170 1.00 0.00 H new ATOM 0 HA SER A 23 14.268 2.863 11.149 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.911 2.009 13.548 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.518 3.072 13.502 1.00 0.00 H new ATOM 0 HG SER A 23 13.984 0.960 14.299 1.00 0.00 H new ATOM 298 N ARG A 24 16.589 3.583 10.046 1.00 0.00 N ATOM 299 CA ARG A 24 17.724 4.417 9.669 1.00 0.00 C ATOM 300 C ARG A 24 17.263 5.644 8.889 1.00 0.00 C ATOM 301 O ARG A 24 16.083 5.780 8.567 1.00 0.00 O ATOM 302 CB ARG A 24 18.719 3.611 8.832 1.00 0.00 C ATOM 303 CG ARG A 24 19.681 2.778 9.663 1.00 0.00 C ATOM 304 CD ARG A 24 20.679 3.653 10.405 1.00 0.00 C ATOM 305 NE ARG A 24 21.661 2.861 11.141 1.00 0.00 N ATOM 306 CZ ARG A 24 21.381 2.195 12.255 1.00 0.00 C ATOM 307 NH1 ARG A 24 20.155 2.224 12.759 1.00 0.00 N ATOM 308 NH2 ARG A 24 22.329 1.496 12.867 1.00 0.00 N ATOM 0 H ARG A 24 15.998 3.297 9.265 1.00 0.00 H new ATOM 0 HA ARG A 24 18.215 4.753 10.582 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.167 2.952 8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.292 4.295 8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.119 2.178 10.379 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.216 2.084 9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.194 4.299 9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.146 4.304 11.098 1.00 0.00 H new ATOM 0 HE ARG A 24 22.614 2.817 10.780 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.424 2.759 12.291 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.943 1.711 13.615 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.273 1.470 12.482 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.113 0.985 13.723 1.00 0.00 H new ATOM 322 N GLY A 25 18.202 6.535 8.588 1.00 0.00 N ATOM 323 CA GLY A 25 17.872 7.740 7.848 1.00 0.00 C ATOM 324 C GLY A 25 18.875 8.040 6.752 1.00 0.00 C ATOM 325 O GLY A 25 18.503 8.494 5.669 1.00 0.00 O ATOM 0 H GLY A 25 19.185 6.445 8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.880 7.633 7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.827 8.584 8.536 1.00 0.00 H new ATOM 329 N ASP A 26 20.148 7.787 7.031 1.00 0.00 N ATOM 330 CA ASP A 26 21.208 8.033 6.060 1.00 0.00 C ATOM 331 C ASP A 26 20.979 7.223 4.789 1.00 0.00 C ATOM 332 O ASP A 26 21.489 7.566 3.723 1.00 0.00 O ATOM 333 CB ASP A 26 22.571 7.687 6.662 1.00 0.00 C ATOM 334 CG ASP A 26 23.615 8.750 6.380 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.728 9.699 7.184 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.319 8.632 5.356 1.00 0.00 O ATOM 0 H ASP A 26 20.472 7.411 7.922 1.00 0.00 H new ATOM 0 HA ASP A 26 21.192 9.092 5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.467 7.560 7.740 1.00 0.00 H new ATOM 0 HB3 ASP A 26 22.911 6.732 6.260 1.00 0.00 H new ATOM 341 N GLU A 27 20.209 6.146 4.910 1.00 0.00 N ATOM 342 CA GLU A 27 19.915 5.286 3.770 1.00 0.00 C ATOM 343 C GLU A 27 18.725 5.820 2.978 1.00 0.00 C ATOM 344 O GLU A 27 18.323 5.236 1.971 1.00 0.00 O ATOM 345 CB GLU A 27 19.630 3.858 4.240 1.00 0.00 C ATOM 346 CG GLU A 27 20.883 3.032 4.473 1.00 0.00 C ATOM 347 CD GLU A 27 21.692 2.828 3.207 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.108 2.927 2.107 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.909 2.568 3.315 1.00 0.00 O ATOM 0 H GLU A 27 19.778 5.849 5.785 1.00 0.00 H new ATOM 0 HA GLU A 27 20.789 5.279 3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.054 3.897 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.008 3.358 3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.504 3.525 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.603 2.061 4.881 1.00 0.00 H new ATOM 356 N ASP A 28 18.165 6.932 3.441 1.00 0.00 N ATOM 357 CA ASP A 28 17.021 7.546 2.777 1.00 0.00 C ATOM 358 C ASP A 28 17.287 7.718 1.285 1.00 0.00 C ATOM 359 O ASP A 28 16.359 7.721 0.476 1.00 0.00 O ATOM 360 CB ASP A 28 16.704 8.902 3.411 1.00 0.00 C ATOM 361 CG ASP A 28 17.810 9.916 3.190 1.00 0.00 C ATOM 362 OD1 ASP A 28 18.993 9.547 3.344 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.491 11.078 2.864 1.00 0.00 O ATOM 0 H ASP A 28 18.485 7.427 4.274 1.00 0.00 H new ATOM 0 HA ASP A 28 16.162 6.886 2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.773 9.287 2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.543 8.771 4.481 1.00 0.00 H new ATOM 368 N ASP A 29 18.558 7.860 0.928 1.00 0.00 N ATOM 369 CA ASP A 29 18.946 8.032 -0.467 1.00 0.00 C ATOM 370 C ASP A 29 18.327 6.946 -1.341 1.00 0.00 C ATOM 371 O ASP A 29 18.066 7.159 -2.525 1.00 0.00 O ATOM 372 CB ASP A 29 20.469 8.007 -0.602 1.00 0.00 C ATOM 373 CG ASP A 29 21.007 9.230 -1.318 1.00 0.00 C ATOM 374 OD1 ASP A 29 20.982 10.326 -0.721 1.00 0.00 O ATOM 375 OD2 ASP A 29 21.453 9.091 -2.477 1.00 0.00 O ATOM 0 H ASP A 29 19.338 7.859 1.585 1.00 0.00 H new ATOM 0 HA ASP A 29 18.575 9.000 -0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.918 7.943 0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.768 7.111 -1.145 1.00 0.00 H new ATOM 380 N LYS A 30 18.095 5.779 -0.750 1.00 0.00 N ATOM 381 CA LYS A 30 17.507 4.657 -1.473 1.00 0.00 C ATOM 382 C LYS A 30 16.246 4.160 -0.773 1.00 0.00 C ATOM 383 O LYS A 30 15.936 2.969 -0.802 1.00 0.00 O ATOM 384 CB LYS A 30 18.519 3.515 -1.595 1.00 0.00 C ATOM 385 CG LYS A 30 19.555 3.735 -2.683 1.00 0.00 C ATOM 386 CD LYS A 30 20.551 2.589 -2.745 1.00 0.00 C ATOM 387 CE LYS A 30 20.763 2.110 -4.173 1.00 0.00 C ATOM 388 NZ LYS A 30 21.088 3.236 -5.092 1.00 0.00 N ATOM 0 H LYS A 30 18.305 5.585 0.229 1.00 0.00 H new ATOM 0 HA LYS A 30 17.236 5.002 -2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.029 3.389 -0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.984 2.587 -1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.056 3.837 -3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.085 4.669 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.503 2.910 -2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.194 1.762 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.571 1.378 -4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.864 1.603 -4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.652 2.881 -5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.207 3.657 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.632 3.958 -4.578 1.00 0.00 H new ATOM 402 N LEU A 31 15.521 5.080 -0.146 1.00 0.00 N ATOM 403 CA LEU A 31 14.292 4.736 0.559 1.00 0.00 C ATOM 404 C LEU A 31 13.098 4.742 -0.391 1.00 0.00 C ATOM 405 O LEU A 31 13.023 5.564 -1.305 1.00 0.00 O ATOM 406 CB LEU A 31 14.048 5.716 1.709 1.00 0.00 C ATOM 407 CG LEU A 31 14.253 5.161 3.119 1.00 0.00 C ATOM 408 CD1 LEU A 31 13.997 6.240 4.159 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.346 3.962 3.357 1.00 0.00 C ATOM 0 H LEU A 31 15.763 6.070 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 31 14.405 3.730 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.710 6.572 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.027 6.089 1.632 1.00 0.00 H new ATOM 0 HG LEU A 31 15.288 4.833 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.148 5.827 5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.687 7.069 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.972 6.599 4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.505 3.580 4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.305 4.265 3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.577 3.181 2.632 1.00 0.00 H new ATOM 421 N LEU A 32 12.166 3.822 -0.167 1.00 0.00 N ATOM 422 CA LEU A 32 10.974 3.723 -1.002 1.00 0.00 C ATOM 423 C LEU A 32 9.754 4.284 -0.278 1.00 0.00 C ATOM 424 O LEU A 32 9.672 4.237 0.949 1.00 0.00 O ATOM 425 CB LEU A 32 10.722 2.266 -1.394 1.00 0.00 C ATOM 426 CG LEU A 32 11.535 1.740 -2.578 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.972 1.469 -2.161 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.896 0.481 -3.146 1.00 0.00 C ATOM 0 H LEU A 32 12.213 3.135 0.585 1.00 0.00 H new ATOM 0 HA LEU A 32 11.142 4.312 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.929 1.637 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.663 2.151 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 32 11.542 2.503 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.535 1.095 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.427 2.392 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.986 0.725 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.488 0.121 -3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.857 -0.288 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.885 0.707 -3.484 1.00 0.00 H new ATOM 440 N PHE A 33 8.808 4.813 -1.047 1.00 0.00 N ATOM 441 CA PHE A 33 7.592 5.382 -0.479 1.00 0.00 C ATOM 442 C PHE A 33 6.365 4.582 -0.908 1.00 0.00 C ATOM 443 O PHE A 33 6.176 4.299 -2.091 1.00 0.00 O ATOM 444 CB PHE A 33 7.437 6.842 -0.910 1.00 0.00 C ATOM 445 CG PHE A 33 8.692 7.652 -0.747 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.291 7.782 0.496 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.272 8.283 -1.835 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.446 8.525 0.650 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.427 9.027 -1.688 1.00 0.00 C ATOM 450 CZ PHE A 33 11.014 9.150 -0.443 1.00 0.00 C ATOM 0 H PHE A 33 8.860 4.859 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 33 7.673 5.337 0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.127 6.873 -1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.639 7.302 -0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.850 7.297 1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.816 8.192 -2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.904 8.617 1.624 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.871 9.512 -2.545 1.00 0.00 H new ATOM 0 HZ PHE A 33 11.915 9.734 -0.325 1.00 0.00 H new ATOM 460 N CYS A 34 5.535 4.218 0.064 1.00 0.00 N ATOM 461 CA CYS A 34 4.327 3.448 -0.210 1.00 0.00 C ATOM 462 C CYS A 34 3.174 4.368 -0.600 1.00 0.00 C ATOM 463 O CYS A 34 3.003 5.444 -0.027 1.00 0.00 O ATOM 464 CB CYS A 34 3.939 2.616 1.014 1.00 0.00 C ATOM 465 SG CYS A 34 2.309 1.814 0.881 1.00 0.00 S ATOM 0 H CYS A 34 5.677 4.444 1.049 1.00 0.00 H new ATOM 0 HA CYS A 34 4.533 2.778 -1.045 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.697 1.850 1.174 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.945 3.259 1.894 1.00 0.00 H new ATOM 0 HG CYS A 34 2.317 0.701 1.553 1.00 0.00 H new ATOM 470 N ASP A 35 2.385 3.936 -1.578 1.00 0.00 N ATOM 471 CA ASP A 35 1.246 4.719 -2.044 1.00 0.00 C ATOM 472 C ASP A 35 -0.021 4.343 -1.281 1.00 0.00 C ATOM 473 O ASP A 35 -1.079 4.145 -1.876 1.00 0.00 O ATOM 474 CB ASP A 35 1.035 4.507 -3.544 1.00 0.00 C ATOM 475 CG ASP A 35 -0.020 5.434 -4.116 1.00 0.00 C ATOM 476 OD1 ASP A 35 -0.168 6.559 -3.594 1.00 0.00 O ATOM 477 OD2 ASP A 35 -0.696 5.035 -5.087 1.00 0.00 O ATOM 0 H ASP A 35 2.513 3.048 -2.063 1.00 0.00 H new ATOM 0 HA ASP A 35 1.460 5.772 -1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.978 4.667 -4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.742 3.473 -3.724 1.00 0.00 H new ATOM 482 N GLY A 36 0.097 4.244 0.039 1.00 0.00 N ATOM 483 CA GLY A 36 -1.046 3.891 0.861 1.00 0.00 C ATOM 484 C GLY A 36 -0.884 4.337 2.301 1.00 0.00 C ATOM 485 O GLY A 36 -1.821 4.858 2.906 1.00 0.00 O ATOM 0 H GLY A 36 0.963 4.402 0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.945 4.344 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.191 2.811 0.832 1.00 0.00 H new ATOM 489 N CYS A 37 0.307 4.131 2.853 1.00 0.00 N ATOM 490 CA CYS A 37 0.588 4.513 4.231 1.00 0.00 C ATOM 491 C CYS A 37 1.696 5.561 4.290 1.00 0.00 C ATOM 492 O CYS A 37 1.907 6.199 5.321 1.00 0.00 O ATOM 493 CB CYS A 37 0.989 3.285 5.051 1.00 0.00 C ATOM 494 SG CYS A 37 2.503 2.460 4.463 1.00 0.00 S ATOM 0 H CYS A 37 1.094 3.701 2.366 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.319 4.944 4.654 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.132 3.585 6.089 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.168 2.568 5.036 1.00 0.00 H new ATOM 0 HG CYS A 37 2.409 2.239 3.185 1.00 0.00 H new ATOM 499 N ASP A 38 2.400 5.732 3.176 1.00 0.00 N ATOM 500 CA ASP A 38 3.485 6.704 3.099 1.00 0.00 C ATOM 501 C ASP A 38 4.612 6.336 4.059 1.00 0.00 C ATOM 502 O ASP A 38 5.094 7.176 4.818 1.00 0.00 O ATOM 503 CB ASP A 38 2.966 8.107 3.417 1.00 0.00 C ATOM 504 CG ASP A 38 3.855 9.195 2.849 1.00 0.00 C ATOM 505 OD1 ASP A 38 5.032 9.274 3.258 1.00 0.00 O ATOM 506 OD2 ASP A 38 3.373 9.968 1.995 1.00 0.00 O ATOM 0 H ASP A 38 2.239 5.210 2.314 1.00 0.00 H new ATOM 0 HA ASP A 38 3.878 6.693 2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.959 8.218 3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.894 8.228 4.498 1.00 0.00 H new ATOM 511 N ASP A 39 5.027 5.074 4.020 1.00 0.00 N ATOM 512 CA ASP A 39 6.098 4.595 4.886 1.00 0.00 C ATOM 513 C ASP A 39 7.440 4.632 4.162 1.00 0.00 C ATOM 514 O ASP A 39 7.522 5.043 3.005 1.00 0.00 O ATOM 515 CB ASP A 39 5.800 3.172 5.361 1.00 0.00 C ATOM 516 CG ASP A 39 4.923 3.146 6.597 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.186 4.129 6.822 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.973 2.143 7.340 1.00 0.00 O ATOM 0 H ASP A 39 4.638 4.365 3.398 1.00 0.00 H new ATOM 0 HA ASP A 39 6.154 5.255 5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.310 2.620 4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.738 2.659 5.574 1.00 0.00 H new ATOM 523 N ASN A 40 8.491 4.199 4.851 1.00 0.00 N ATOM 524 CA ASN A 40 9.831 4.185 4.274 1.00 0.00 C ATOM 525 C ASN A 40 10.448 2.793 4.368 1.00 0.00 C ATOM 526 O ASN A 40 10.582 2.234 5.457 1.00 0.00 O ATOM 527 CB ASN A 40 10.726 5.201 4.985 1.00 0.00 C ATOM 528 CG ASN A 40 9.959 6.426 5.444 1.00 0.00 C ATOM 529 OD1 ASN A 40 9.903 6.726 6.637 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.362 7.140 4.497 1.00 0.00 N ATOM 0 H ASN A 40 8.441 3.853 5.809 1.00 0.00 H new ATOM 0 HA ASN A 40 9.750 4.457 3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.197 4.727 5.846 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.527 5.508 4.313 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.831 7.974 4.746 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.435 6.854 3.521 1.00 0.00 H new ATOM 537 N TYR A 41 10.823 2.239 3.221 1.00 0.00 N ATOM 538 CA TYR A 41 11.425 0.912 3.173 1.00 0.00 C ATOM 539 C TYR A 41 12.609 0.885 2.211 1.00 0.00 C ATOM 540 O TYR A 41 12.538 1.421 1.105 1.00 0.00 O ATOM 541 CB TYR A 41 10.386 -0.127 2.749 1.00 0.00 C ATOM 542 CG TYR A 41 9.308 -0.362 3.783 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.480 -1.296 4.796 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.116 0.352 3.746 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.497 -1.514 5.742 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.128 0.141 4.688 1.00 0.00 C ATOM 547 CZ TYR A 41 7.323 -0.793 5.684 1.00 0.00 C ATOM 548 OH TYR A 41 6.342 -1.006 6.625 1.00 0.00 O ATOM 0 H TYR A 41 10.721 2.689 2.311 1.00 0.00 H new ATOM 0 HA TYR A 41 11.786 0.669 4.172 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.920 0.196 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.891 -1.070 2.542 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.398 -1.862 4.845 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.960 1.084 2.968 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.647 -2.245 6.523 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.208 0.704 4.645 1.00 0.00 H new ATOM 0 HH TYR A 41 5.580 -0.417 6.442 1.00 0.00 H new ATOM 558 N HIS A 42 13.699 0.257 2.642 1.00 0.00 N ATOM 559 CA HIS A 42 14.899 0.158 1.819 1.00 0.00 C ATOM 560 C HIS A 42 14.772 -0.975 0.806 1.00 0.00 C ATOM 561 O HIS A 42 13.822 -1.758 0.852 1.00 0.00 O ATOM 562 CB HIS A 42 16.129 -0.066 2.700 1.00 0.00 C ATOM 563 CG HIS A 42 16.433 1.085 3.609 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.071 0.938 4.822 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.183 2.409 3.474 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.199 2.121 5.396 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.669 3.031 4.598 1.00 0.00 N ATOM 0 H HIS A 42 13.776 -0.190 3.555 1.00 0.00 H new ATOM 0 HA HIS A 42 15.015 1.096 1.276 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.977 -0.962 3.301 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.993 -0.253 2.062 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.693 2.887 2.638 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.659 2.312 6.354 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.628 4.033 4.786 1.00 0.00 H new ATOM 575 N ILE A 43 15.733 -1.056 -0.108 1.00 0.00 N ATOM 576 CA ILE A 43 15.727 -2.093 -1.132 1.00 0.00 C ATOM 577 C ILE A 43 16.491 -3.329 -0.667 1.00 0.00 C ATOM 578 O ILE A 43 16.593 -4.318 -1.393 1.00 0.00 O ATOM 579 CB ILE A 43 16.345 -1.587 -2.449 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.749 -1.032 -2.199 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.455 -0.527 -3.079 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.639 -1.067 -3.421 1.00 0.00 C ATOM 0 H ILE A 43 16.525 -0.416 -0.160 1.00 0.00 H new ATOM 0 HA ILE A 43 14.684 -2.358 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 43 16.424 -2.425 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.667 -0.003 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.220 -1.604 -1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 43 15.905 -0.179 -4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.474 -0.953 -3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.347 0.312 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.618 -0.659 -3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.752 -2.097 -3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.190 -0.471 -4.215 1.00 0.00 H new ATOM 594 N PHE A 44 17.023 -3.266 0.549 1.00 0.00 N ATOM 595 CA PHE A 44 17.777 -4.380 1.112 1.00 0.00 C ATOM 596 C PHE A 44 17.245 -4.754 2.492 1.00 0.00 C ATOM 597 O PHE A 44 17.905 -5.461 3.254 1.00 0.00 O ATOM 598 CB PHE A 44 19.262 -4.024 1.205 1.00 0.00 C ATOM 599 CG PHE A 44 19.517 -2.664 1.790 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.536 -2.479 3.163 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.736 -1.571 0.967 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.770 -1.229 3.705 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.972 -0.320 1.504 1.00 0.00 C ATOM 604 CZ PHE A 44 19.988 -0.148 2.874 1.00 0.00 C ATOM 0 H PHE A 44 16.946 -2.455 1.163 1.00 0.00 H new ATOM 0 HA PHE A 44 17.657 -5.238 0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.770 -4.773 1.813 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.702 -4.070 0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.366 -3.321 3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.722 -1.698 -0.105 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.782 -1.098 4.777 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.144 0.524 0.852 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.171 0.830 3.295 1.00 0.00 H new ATOM 614 N CYS A 45 16.046 -4.275 2.807 1.00 0.00 N ATOM 615 CA CYS A 45 15.424 -4.556 4.095 1.00 0.00 C ATOM 616 C CYS A 45 14.191 -5.439 3.922 1.00 0.00 C ATOM 617 O CYS A 45 13.788 -6.150 4.843 1.00 0.00 O ATOM 618 CB CYS A 45 15.037 -3.252 4.794 1.00 0.00 C ATOM 619 SG CYS A 45 16.410 -2.447 5.680 1.00 0.00 S ATOM 0 H CYS A 45 15.486 -3.690 2.187 1.00 0.00 H new ATOM 0 HA CYS A 45 16.148 -5.089 4.711 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.641 -2.558 4.052 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.233 -3.456 5.501 1.00 0.00 H new ATOM 0 HG CYS A 45 16.482 -1.198 5.326 1.00 0.00 H new ATOM 624 N LEU A 46 13.596 -5.388 2.735 1.00 0.00 N ATOM 625 CA LEU A 46 12.409 -6.183 2.439 1.00 0.00 C ATOM 626 C LEU A 46 12.760 -7.662 2.320 1.00 0.00 C ATOM 627 O LEU A 46 13.871 -8.076 2.653 1.00 0.00 O ATOM 628 CB LEU A 46 11.755 -5.696 1.145 1.00 0.00 C ATOM 629 CG LEU A 46 11.529 -4.188 1.033 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.500 -3.760 -0.426 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.240 -3.787 1.735 1.00 0.00 C ATOM 0 H LEU A 46 13.916 -4.805 1.962 1.00 0.00 H new ATOM 0 HA LEU A 46 11.705 -6.061 3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.375 -6.013 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.793 -6.196 1.037 1.00 0.00 H new ATOM 0 HG LEU A 46 12.358 -3.678 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.338 -2.684 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.450 -4.011 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.691 -4.278 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.096 -2.710 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.399 -4.305 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.300 -4.058 2.789 1.00 0.00 H new ATOM 643 N LEU A 47 11.807 -8.454 1.842 1.00 0.00 N ATOM 644 CA LEU A 47 12.015 -9.888 1.676 1.00 0.00 C ATOM 645 C LEU A 47 10.875 -10.516 0.881 1.00 0.00 C ATOM 646 O LEU A 47 9.766 -10.705 1.382 1.00 0.00 O ATOM 647 CB LEU A 47 12.135 -10.568 3.041 1.00 0.00 C ATOM 648 CG LEU A 47 13.186 -11.673 3.151 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.744 -11.741 4.564 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.594 -13.014 2.744 1.00 0.00 C ATOM 0 H LEU A 47 10.882 -8.127 1.562 1.00 0.00 H new ATOM 0 HA LEU A 47 12.942 -10.033 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.360 -9.805 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.164 -10.990 3.301 1.00 0.00 H new ATOM 0 HG LEU A 47 14.005 -11.438 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.490 -12.533 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.206 -10.787 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.936 -11.951 5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.356 -13.789 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.757 -13.256 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.245 -12.960 1.713 1.00 0.00 H new ATOM 662 N PRO A 48 11.151 -10.850 -0.388 1.00 0.00 N ATOM 663 CA PRO A 48 12.467 -10.630 -0.996 1.00 0.00 C ATOM 664 C PRO A 48 12.763 -9.150 -1.218 1.00 0.00 C ATOM 665 O PRO A 48 11.867 -8.344 -1.466 1.00 0.00 O ATOM 666 CB PRO A 48 12.365 -11.361 -2.337 1.00 0.00 C ATOM 667 CG PRO A 48 10.909 -11.375 -2.651 1.00 0.00 C ATOM 668 CD PRO A 48 10.201 -11.468 -1.328 1.00 0.00 C ATOM 0 HA PRO A 48 13.275 -10.989 -0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.932 -10.846 -3.113 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.765 -12.373 -2.268 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.617 -10.472 -3.187 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.656 -12.221 -3.290 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.249 -10.938 -1.344 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.985 -12.502 -1.060 1.00 0.00 H new ATOM 676 N PRO A 49 14.050 -8.783 -1.127 1.00 0.00 N ATOM 677 CA PRO A 49 14.493 -7.399 -1.315 1.00 0.00 C ATOM 678 C PRO A 49 14.363 -6.940 -2.764 1.00 0.00 C ATOM 679 O PRO A 49 13.923 -7.699 -3.629 1.00 0.00 O ATOM 680 CB PRO A 49 15.965 -7.438 -0.897 1.00 0.00 C ATOM 681 CG PRO A 49 16.385 -8.850 -1.117 1.00 0.00 C ATOM 682 CD PRO A 49 15.171 -9.692 -0.833 1.00 0.00 C ATOM 0 HA PRO A 49 13.890 -6.697 -0.739 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.564 -6.750 -1.493 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.088 -7.147 0.146 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.733 -8.999 -2.139 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.210 -9.119 -0.457 1.00 0.00 H new ATOM 0 HD2 PRO A 49 15.143 -10.582 -1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.151 -10.033 0.202 1.00 0.00 H new ATOM 690 N LEU A 50 14.749 -5.696 -3.022 1.00 0.00 N ATOM 691 CA LEU A 50 14.676 -5.136 -4.367 1.00 0.00 C ATOM 692 C LEU A 50 16.055 -4.700 -4.851 1.00 0.00 C ATOM 693 O LEU A 50 16.965 -4.445 -4.062 1.00 0.00 O ATOM 694 CB LEU A 50 13.714 -3.947 -4.395 1.00 0.00 C ATOM 695 CG LEU A 50 12.224 -4.288 -4.378 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.387 -3.022 -4.280 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.845 -5.085 -5.618 1.00 0.00 C ATOM 0 H LEU A 50 15.116 -5.056 -2.318 1.00 0.00 H new ATOM 0 HA LEU A 50 14.304 -5.912 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.930 -3.310 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.921 -3.359 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 50 12.022 -4.901 -3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.329 -3.285 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.638 -2.490 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.593 -2.382 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.781 -5.319 -5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.063 -4.497 -6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.419 -6.011 -5.645 1.00 0.00 H new ATOM 709 N PRO A 51 16.215 -4.611 -6.180 1.00 0.00 N ATOM 710 CA PRO A 51 17.480 -4.203 -6.799 1.00 0.00 C ATOM 711 C PRO A 51 17.792 -2.729 -6.564 1.00 0.00 C ATOM 712 O PRO A 51 18.922 -2.370 -6.236 1.00 0.00 O ATOM 713 CB PRO A 51 17.247 -4.469 -8.289 1.00 0.00 C ATOM 714 CG PRO A 51 15.770 -4.387 -8.462 1.00 0.00 C ATOM 715 CD PRO A 51 15.173 -4.900 -7.180 1.00 0.00 C ATOM 0 HA PRO A 51 18.330 -4.743 -6.383 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.760 -3.732 -8.908 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.626 -5.449 -8.580 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.456 -3.361 -8.655 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.443 -4.986 -9.312 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.237 -4.395 -6.942 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.955 -5.966 -7.237 1.00 0.00 H new ATOM 723 N GLU A 52 16.783 -1.881 -6.733 1.00 0.00 N ATOM 724 CA GLU A 52 16.951 -0.445 -6.538 1.00 0.00 C ATOM 725 C GLU A 52 15.601 0.266 -6.538 1.00 0.00 C ATOM 726 O GLU A 52 14.560 -0.356 -6.748 1.00 0.00 O ATOM 727 CB GLU A 52 17.848 0.138 -7.632 1.00 0.00 C ATOM 728 CG GLU A 52 17.372 -0.177 -9.041 1.00 0.00 C ATOM 729 CD GLU A 52 18.245 0.457 -10.106 1.00 0.00 C ATOM 730 OE1 GLU A 52 19.420 0.050 -10.230 1.00 0.00 O ATOM 731 OE2 GLU A 52 17.755 1.360 -10.816 1.00 0.00 O ATOM 0 H GLU A 52 15.841 -2.163 -7.004 1.00 0.00 H new ATOM 0 HA GLU A 52 17.424 -0.288 -5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.901 1.220 -7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.860 -0.247 -7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.359 -1.258 -9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.347 0.173 -9.161 1.00 0.00 H new ATOM 738 N ILE A 53 15.628 1.573 -6.301 1.00 0.00 N ATOM 739 CA ILE A 53 14.408 2.369 -6.274 1.00 0.00 C ATOM 740 C ILE A 53 13.574 2.141 -7.530 1.00 0.00 C ATOM 741 O ILE A 53 14.075 2.189 -8.654 1.00 0.00 O ATOM 742 CB ILE A 53 14.718 3.872 -6.143 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.146 4.204 -4.712 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.507 4.700 -6.546 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.029 4.070 -3.701 1.00 0.00 C ATOM 0 H ILE A 53 16.482 2.103 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 53 13.841 2.046 -5.401 1.00 0.00 H new ATOM 0 HB ILE A 53 15.541 4.118 -6.814 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.966 3.546 -4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.531 5.224 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.742 5.760 -6.448 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.244 4.481 -7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.666 4.453 -5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.404 4.321 -2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.217 4.748 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.659 3.045 -3.701 1.00 0.00 H new ATOM 757 N PRO A 54 12.271 1.888 -7.338 1.00 0.00 N ATOM 758 CA PRO A 54 11.340 1.650 -8.445 1.00 0.00 C ATOM 759 C PRO A 54 11.075 2.910 -9.261 1.00 0.00 C ATOM 760 O PRO A 54 11.490 4.005 -8.882 1.00 0.00 O ATOM 761 CB PRO A 54 10.061 1.191 -7.739 1.00 0.00 C ATOM 762 CG PRO A 54 10.145 1.788 -6.377 1.00 0.00 C ATOM 763 CD PRO A 54 11.607 1.815 -6.026 1.00 0.00 C ATOM 0 HA PRO A 54 11.733 0.927 -9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.172 1.535 -8.268 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.003 0.104 -7.692 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.722 2.793 -6.365 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.581 1.196 -5.656 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.855 2.674 -5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.904 0.923 -5.474 1.00 0.00 H new ATOM 771 N ARG A 55 10.381 2.748 -10.383 1.00 0.00 N ATOM 772 CA ARG A 55 10.062 3.873 -11.253 1.00 0.00 C ATOM 773 C ARG A 55 8.663 4.408 -10.959 1.00 0.00 C ATOM 774 O ARG A 55 8.507 5.483 -10.382 1.00 0.00 O ATOM 775 CB ARG A 55 10.161 3.454 -12.721 1.00 0.00 C ATOM 776 CG ARG A 55 11.364 4.041 -13.442 1.00 0.00 C ATOM 777 CD ARG A 55 10.941 4.966 -14.571 1.00 0.00 C ATOM 778 NE ARG A 55 11.998 5.138 -15.564 1.00 0.00 N ATOM 779 CZ ARG A 55 13.078 5.887 -15.366 1.00 0.00 C ATOM 780 NH1 ARG A 55 13.242 6.529 -14.217 1.00 0.00 N ATOM 781 NH2 ARG A 55 13.996 5.994 -16.317 1.00 0.00 N ATOM 0 H ARG A 55 10.029 1.848 -10.711 1.00 0.00 H new ATOM 0 HA ARG A 55 10.784 4.666 -11.059 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.209 2.367 -12.777 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.252 3.760 -13.240 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.982 4.591 -12.732 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.979 3.235 -13.842 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.051 4.563 -15.055 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.668 5.938 -14.160 1.00 0.00 H new ATOM 0 HE ARG A 55 11.902 4.657 -16.458 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.538 6.449 -13.483 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.072 7.103 -14.068 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.874 5.501 -17.202 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.824 6.569 -16.164 1.00 0.00 H new ATOM 795 N GLY A 56 7.648 3.649 -11.362 1.00 0.00 N ATOM 796 CA GLY A 56 6.276 4.063 -11.134 1.00 0.00 C ATOM 797 C GLY A 56 5.910 4.071 -9.663 1.00 0.00 C ATOM 798 O GLY A 56 6.735 4.409 -8.813 1.00 0.00 O ATOM 0 H GLY A 56 7.752 2.755 -11.842 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.127 5.060 -11.548 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.604 3.392 -11.669 1.00 0.00 H new ATOM 802 N ILE A 57 4.670 3.701 -9.362 1.00 0.00 N ATOM 803 CA ILE A 57 4.197 3.667 -7.983 1.00 0.00 C ATOM 804 C ILE A 57 4.588 2.362 -7.299 1.00 0.00 C ATOM 805 O ILE A 57 4.373 1.277 -7.840 1.00 0.00 O ATOM 806 CB ILE A 57 2.668 3.835 -7.909 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.250 5.177 -8.513 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.193 3.726 -6.468 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.752 5.339 -8.645 1.00 0.00 C ATOM 0 H ILE A 57 3.975 3.421 -10.054 1.00 0.00 H new ATOM 0 HA ILE A 57 4.672 4.501 -7.466 1.00 0.00 H new ATOM 0 HB ILE A 57 2.201 3.037 -8.487 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.641 5.983 -7.893 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.707 5.282 -9.497 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.110 3.847 -6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.463 2.748 -6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.665 4.505 -5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.528 6.313 -9.080 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.357 4.554 -9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.290 5.267 -7.660 1.00 0.00 H new ATOM 821 N TRP A 58 5.163 2.474 -6.107 1.00 0.00 N ATOM 822 CA TRP A 58 5.583 1.302 -5.348 1.00 0.00 C ATOM 823 C TRP A 58 4.824 1.207 -4.029 1.00 0.00 C ATOM 824 O TRP A 58 4.576 2.218 -3.371 1.00 0.00 O ATOM 825 CB TRP A 58 7.088 1.354 -5.082 1.00 0.00 C ATOM 826 CG TRP A 58 7.584 0.211 -4.248 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.111 -0.965 -4.701 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.596 0.135 -2.819 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.450 -1.768 -3.638 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.145 -1.115 -2.473 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.199 1.002 -1.797 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.305 -1.518 -1.149 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.358 0.601 -0.484 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.907 -0.649 -0.170 1.00 0.00 C ATOM 0 H TRP A 58 5.349 3.364 -5.645 1.00 0.00 H new ATOM 0 HA TRP A 58 5.356 0.416 -5.941 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.618 1.356 -6.034 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.329 2.291 -4.581 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.242 -1.225 -5.741 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.862 -2.699 -3.706 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.776 1.968 -2.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.728 -2.481 -0.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.054 1.263 0.314 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.018 -0.933 0.866 1.00 0.00 H new ATOM 845 N ARG A 59 4.458 -0.012 -3.648 1.00 0.00 N ATOM 846 CA ARG A 59 3.726 -0.237 -2.407 1.00 0.00 C ATOM 847 C ARG A 59 4.515 -1.145 -1.468 1.00 0.00 C ATOM 848 O ARG A 59 5.416 -1.867 -1.896 1.00 0.00 O ATOM 849 CB ARG A 59 2.359 -0.856 -2.702 1.00 0.00 C ATOM 850 CG ARG A 59 1.202 0.117 -2.540 1.00 0.00 C ATOM 851 CD ARG A 59 -0.051 -0.585 -2.040 1.00 0.00 C ATOM 852 NE ARG A 59 -1.162 -0.458 -2.979 1.00 0.00 N ATOM 853 CZ ARG A 59 -1.297 -1.213 -4.063 1.00 0.00 C ATOM 854 NH1 ARG A 59 -0.396 -2.144 -4.344 1.00 0.00 N ATOM 855 NH2 ARG A 59 -2.336 -1.037 -4.870 1.00 0.00 N ATOM 0 H ARG A 59 4.656 -0.859 -4.180 1.00 0.00 H new ATOM 0 HA ARG A 59 3.583 0.727 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.357 -1.243 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.204 -1.706 -2.038 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.483 0.904 -1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.994 0.599 -3.495 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.166 -1.641 -1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.341 -0.166 -1.077 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.873 0.249 -2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.404 -2.282 -3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.503 -2.722 -5.178 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.031 -0.321 -4.658 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.439 -1.617 -5.703 1.00 0.00 H new ATOM 869 N CYS A 60 4.171 -1.103 -0.185 1.00 0.00 N ATOM 870 CA CYS A 60 4.846 -1.920 0.816 1.00 0.00 C ATOM 871 C CYS A 60 4.067 -3.204 1.085 1.00 0.00 C ATOM 872 O CYS A 60 2.869 -3.300 0.820 1.00 0.00 O ATOM 873 CB CYS A 60 5.018 -1.132 2.116 1.00 0.00 C ATOM 874 SG CYS A 60 3.504 -1.021 3.124 1.00 0.00 S ATOM 0 H CYS A 60 3.428 -0.511 0.186 1.00 0.00 H new ATOM 0 HA CYS A 60 5.829 -2.187 0.429 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.804 -1.599 2.710 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.356 -0.124 1.875 1.00 0.00 H new ATOM 0 HG CYS A 60 3.317 0.212 3.491 1.00 0.00 H new ATOM 879 N PRO A 61 4.763 -4.215 1.625 1.00 0.00 N ATOM 880 CA PRO A 61 4.158 -5.512 1.944 1.00 0.00 C ATOM 881 C PRO A 61 3.186 -5.426 3.115 1.00 0.00 C ATOM 882 O PRO A 61 2.285 -6.254 3.251 1.00 0.00 O ATOM 883 CB PRO A 61 5.361 -6.385 2.310 1.00 0.00 C ATOM 884 CG PRO A 61 6.399 -5.423 2.775 1.00 0.00 C ATOM 885 CD PRO A 61 6.195 -4.171 1.968 1.00 0.00 C ATOM 0 HA PRO A 61 3.569 -5.902 1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.107 -7.102 3.091 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.709 -6.959 1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.294 -5.221 3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.400 -5.826 2.623 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.443 -3.278 2.542 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.822 -4.161 1.076 1.00 0.00 H new ATOM 893 N LYS A 62 3.373 -4.418 3.960 1.00 0.00 N ATOM 894 CA LYS A 62 2.512 -4.221 5.121 1.00 0.00 C ATOM 895 C LYS A 62 1.123 -3.757 4.694 1.00 0.00 C ATOM 896 O LYS A 62 0.159 -3.870 5.453 1.00 0.00 O ATOM 897 CB LYS A 62 3.132 -3.199 6.075 1.00 0.00 C ATOM 898 CG LYS A 62 3.654 -3.808 7.364 1.00 0.00 C ATOM 899 CD LYS A 62 2.592 -3.807 8.451 1.00 0.00 C ATOM 900 CE LYS A 62 3.170 -4.224 9.795 1.00 0.00 C ATOM 901 NZ LYS A 62 2.130 -4.251 10.861 1.00 0.00 N ATOM 0 H LYS A 62 4.114 -3.724 3.863 1.00 0.00 H new ATOM 0 HA LYS A 62 2.415 -5.176 5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.950 -2.690 5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.386 -2.442 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.984 -4.830 7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.525 -3.249 7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.156 -2.811 8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.786 -4.486 8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.624 -5.211 9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.964 -3.533 10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.563 -4.540 11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.715 -3.303 10.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.385 -4.929 10.602 1.00 0.00 H new ATOM 915 N CYS A 63 1.026 -3.237 3.476 1.00 0.00 N ATOM 916 CA CYS A 63 -0.246 -2.756 2.948 1.00 0.00 C ATOM 917 C CYS A 63 -0.838 -3.758 1.961 1.00 0.00 C ATOM 918 O CYS A 63 -2.042 -4.014 1.968 1.00 0.00 O ATOM 919 CB CYS A 63 -0.058 -1.400 2.264 1.00 0.00 C ATOM 920 SG CYS A 63 0.022 0.008 3.417 1.00 0.00 S ATOM 0 H CYS A 63 1.813 -3.137 2.835 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.938 -2.642 3.782 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.859 -1.426 1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.881 -1.239 1.567 1.00 0.00 H new ATOM 0 HG CYS A 63 1.252 0.415 3.520 1.00 0.00 H new ATOM 925 N ILE A 64 0.017 -4.322 1.114 1.00 0.00 N ATOM 926 CA ILE A 64 -0.421 -5.296 0.122 1.00 0.00 C ATOM 927 C ILE A 64 -0.900 -6.582 0.789 1.00 0.00 C ATOM 928 O ILE A 64 -1.945 -7.127 0.432 1.00 0.00 O ATOM 929 CB ILE A 64 0.706 -5.635 -0.870 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.189 -4.368 -1.580 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.229 -6.666 -1.882 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.573 -4.500 -2.177 1.00 0.00 C ATOM 0 H ILE A 64 1.017 -4.121 1.095 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.248 -4.841 -0.423 1.00 0.00 H new ATOM 0 HB ILE A 64 1.543 -6.059 -0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.484 -4.113 -2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.185 -3.540 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.037 -6.895 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.071 -7.575 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.622 -6.267 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.850 -3.565 -2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.290 -4.724 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.577 -5.306 -2.911 1.00 0.00 H new ATOM 944 N LEU A 65 -0.130 -7.060 1.760 1.00 0.00 N ATOM 945 CA LEU A 65 -0.476 -8.281 2.479 1.00 0.00 C ATOM 946 C LEU A 65 -1.749 -8.089 3.297 1.00 0.00 C ATOM 947 O LEU A 65 -2.380 -9.058 3.719 1.00 0.00 O ATOM 948 CB LEU A 65 0.674 -8.699 3.397 1.00 0.00 C ATOM 949 CG LEU A 65 1.981 -9.082 2.702 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.118 -9.162 3.709 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.826 -10.404 1.964 1.00 0.00 C ATOM 0 H LEU A 65 0.738 -6.621 2.068 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.652 -9.068 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.879 -7.880 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.343 -9.546 3.998 1.00 0.00 H new ATOM 0 HG LEU A 65 2.222 -8.308 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.040 -9.436 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.245 -8.193 4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.885 -9.915 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.766 -10.660 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.560 -11.188 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.041 -10.312 1.214 1.00 0.00 H new ATOM 963 N ALA A 66 -2.123 -6.832 3.515 1.00 0.00 N ATOM 964 CA ALA A 66 -3.323 -6.513 4.278 1.00 0.00 C ATOM 965 C ALA A 66 -4.524 -6.322 3.358 1.00 0.00 C ATOM 966 O ALA A 66 -5.640 -6.719 3.690 1.00 0.00 O ATOM 967 CB ALA A 66 -3.097 -5.266 5.120 1.00 0.00 C ATOM 0 H ALA A 66 -1.612 -6.018 3.174 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.536 -7.352 4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.001 -5.039 5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.272 -5.438 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.856 -4.426 4.469 1.00 0.00 H new ATOM 973 N GLU A 67 -4.286 -5.712 2.202 1.00 0.00 N ATOM 974 CA GLU A 67 -5.350 -5.468 1.235 1.00 0.00 C ATOM 975 C GLU A 67 -5.705 -6.746 0.482 1.00 0.00 C ATOM 976 O GLU A 67 -6.859 -6.959 0.108 1.00 0.00 O ATOM 977 CB GLU A 67 -4.930 -4.379 0.244 1.00 0.00 C ATOM 978 CG GLU A 67 -5.033 -2.972 0.807 1.00 0.00 C ATOM 979 CD GLU A 67 -6.455 -2.445 0.805 1.00 0.00 C ATOM 980 OE1 GLU A 67 -6.969 -2.128 -0.288 1.00 0.00 O ATOM 981 OE2 GLU A 67 -7.053 -2.350 1.897 1.00 0.00 O ATOM 0 H GLU A 67 -3.367 -5.378 1.912 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.231 -5.132 1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.902 -4.562 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.553 -4.451 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.648 -2.964 1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.401 -2.304 0.222 1.00 0.00 H new ATOM 988 N CYS A 68 -4.706 -7.593 0.262 1.00 0.00 N ATOM 989 CA CYS A 68 -4.911 -8.851 -0.447 1.00 0.00 C ATOM 990 C CYS A 68 -6.038 -9.657 0.191 1.00 0.00 C ATOM 991 O CYS A 68 -6.220 -9.635 1.408 1.00 0.00 O ATOM 992 CB CYS A 68 -3.621 -9.672 -0.456 1.00 0.00 C ATOM 993 SG CYS A 68 -3.647 -11.076 -1.596 1.00 0.00 S ATOM 0 H CYS A 68 -3.745 -7.431 0.565 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.192 -8.619 -1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.789 -9.019 -0.720 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.430 -10.040 0.552 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.512 -11.707 -1.534 1.00 0.00 H new