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= 0.952 USER MOD Set 1.2: A 37 CYS SG : rot -51:sc= 0.347 USER MOD Set 1.3: A 60 CYS SG : rot -132:sc= 0.0871 USER MOD Set 1.4: A 63 CYS SG : rot 104:sc= 0.233 USER MOD Set 2.1: A 19 CYS SG : rot 149:sc= 0.353 USER MOD Set 2.2: A 22 CYS SG : rot -54:sc= -0.115 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -3.1 K(o=-2.8,f=-3.4) USER MOD Set 2.4: A 45 CYS SG : rot 131:sc= 0.0343 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= -0.0392 K(o=-0.039,f=-1.6!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= -0.0697 (180deg=-0.479) USER MOD Single : A 40 ASN : amide:sc= -1.69 K(o=-1.7,f=-2.8) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0324 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 10.763 13.546 8.879 1.00 0.00 N ATOM 184 CA SER A 16 11.785 12.826 8.129 1.00 0.00 C ATOM 185 C SER A 16 11.287 11.443 7.721 1.00 0.00 C ATOM 186 O SER A 16 10.150 11.070 8.012 1.00 0.00 O ATOM 187 CB SER A 16 13.062 12.696 8.961 1.00 0.00 C ATOM 188 OG SER A 16 14.214 12.729 8.136 1.00 0.00 O ATOM 0 HA SER A 16 12.005 13.395 7.225 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.109 13.506 9.689 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.040 11.762 9.523 1.00 0.00 H new ATOM 0 HG SER A 16 15.017 12.646 8.692 1.00 0.00 H new ATOM 194 N TYR A 17 12.145 10.688 7.046 1.00 0.00 N ATOM 195 CA TYR A 17 11.793 9.346 6.595 1.00 0.00 C ATOM 196 C TYR A 17 12.687 8.299 7.252 1.00 0.00 C ATOM 197 O TYR A 17 13.889 8.243 6.992 1.00 0.00 O ATOM 198 CB TYR A 17 11.908 9.250 5.073 1.00 0.00 C ATOM 199 CG TYR A 17 11.283 10.418 4.344 1.00 0.00 C ATOM 200 CD1 TYR A 17 9.979 10.814 4.614 1.00 0.00 C ATOM 201 CD2 TYR A 17 11.998 11.126 3.385 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.405 11.880 3.949 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.431 12.194 2.716 1.00 0.00 C ATOM 204 CZ TYR A 17 10.135 12.567 3.001 1.00 0.00 C ATOM 205 OH TYR A 17 9.566 13.630 2.338 1.00 0.00 O ATOM 0 H TYR A 17 13.090 10.982 6.798 1.00 0.00 H new ATOM 0 HA TYR A 17 10.761 9.151 6.887 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.961 9.184 4.800 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.433 8.328 4.739 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.405 10.280 5.356 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.014 10.837 3.159 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.390 12.174 4.170 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.000 12.734 1.974 1.00 0.00 H new ATOM 0 HH TYR A 17 10.213 14.005 1.705 1.00 0.00 H new ATOM 215 N ILE A 18 12.090 7.471 8.102 1.00 0.00 N ATOM 216 CA ILE A 18 12.831 6.423 8.795 1.00 0.00 C ATOM 217 C ILE A 18 12.338 5.039 8.386 1.00 0.00 C ATOM 218 O ILE A 18 11.139 4.760 8.421 1.00 0.00 O ATOM 219 CB ILE A 18 12.714 6.568 10.323 1.00 0.00 C ATOM 220 CG1 ILE A 18 12.996 8.011 10.745 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.669 5.610 11.020 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.361 8.508 10.321 1.00 0.00 C ATOM 0 H ILE A 18 11.096 7.505 8.328 1.00 0.00 H new ATOM 0 HA ILE A 18 13.877 6.532 8.508 1.00 0.00 H new ATOM 0 HB ILE A 18 11.696 6.316 10.620 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.233 8.662 10.319 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.911 8.087 11.829 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.575 5.724 12.100 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.425 4.585 10.741 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.693 5.834 10.719 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.493 9.538 10.653 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.132 7.881 10.769 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.443 8.464 9.235 1.00 0.00 H new ATOM 234 N CYS A 19 13.270 4.175 8.001 1.00 0.00 N ATOM 235 CA CYS A 19 12.932 2.818 7.587 1.00 0.00 C ATOM 236 C CYS A 19 12.069 2.128 8.640 1.00 0.00 C ATOM 237 O CYS A 19 12.119 2.473 9.820 1.00 0.00 O ATOM 238 CB CYS A 19 14.204 2.005 7.342 1.00 0.00 C ATOM 239 SG CYS A 19 13.925 0.436 6.459 1.00 0.00 S ATOM 0 H CYS A 19 14.266 4.390 7.967 1.00 0.00 H new ATOM 0 HA CYS A 19 12.364 2.879 6.659 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.906 2.612 6.770 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.676 1.791 8.301 1.00 0.00 H new ATOM 0 HG CYS A 19 14.968 0.153 5.736 1.00 0.00 H new ATOM 244 N GLN A 20 11.280 1.152 8.202 1.00 0.00 N ATOM 245 CA GLN A 20 10.406 0.414 9.106 1.00 0.00 C ATOM 246 C GLN A 20 10.921 -1.005 9.323 1.00 0.00 C ATOM 247 O GLN A 20 10.165 -1.900 9.703 1.00 0.00 O ATOM 248 CB GLN A 20 8.981 0.373 8.552 1.00 0.00 C ATOM 249 CG GLN A 20 8.150 1.592 8.920 1.00 0.00 C ATOM 250 CD GLN A 20 7.622 1.531 10.340 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.668 0.485 10.988 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.116 2.656 10.832 1.00 0.00 N ATOM 0 H GLN A 20 11.228 0.854 7.228 1.00 0.00 H new ATOM 0 HA GLN A 20 10.400 0.930 10.066 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.024 0.288 7.466 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.482 -0.522 8.922 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.756 2.490 8.800 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.312 1.678 8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.098 3.500 10.260 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.746 2.676 11.782 1.00 0.00 H new ATOM 261 N VAL A 21 12.212 -1.205 9.080 1.00 0.00 N ATOM 262 CA VAL A 21 12.829 -2.515 9.249 1.00 0.00 C ATOM 263 C VAL A 21 14.114 -2.416 10.062 1.00 0.00 C ATOM 264 O VAL A 21 14.372 -3.241 10.940 1.00 0.00 O ATOM 265 CB VAL A 21 13.142 -3.168 7.890 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.813 -4.518 8.088 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.874 -3.309 7.062 1.00 0.00 C ATOM 0 H VAL A 21 12.852 -0.476 8.765 1.00 0.00 H new ATOM 0 HA VAL A 21 12.111 -3.136 9.784 1.00 0.00 H new ATOM 0 HB VAL A 21 13.833 -2.523 7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.026 -4.964 7.117 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.744 -4.384 8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.150 -5.175 8.651 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.114 -3.772 6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.157 -3.932 7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.441 -2.324 6.890 1.00 0.00 H new ATOM 277 N CYS A 22 14.919 -1.401 9.766 1.00 0.00 N ATOM 278 CA CYS A 22 16.179 -1.193 10.468 1.00 0.00 C ATOM 279 C CYS A 22 16.152 0.111 11.260 1.00 0.00 C ATOM 280 O CYS A 22 16.970 0.324 12.154 1.00 0.00 O ATOM 281 CB CYS A 22 17.344 -1.176 9.476 1.00 0.00 C ATOM 282 SG CYS A 22 17.275 0.190 8.273 1.00 0.00 S ATOM 0 H CYS A 22 14.720 -0.709 9.044 1.00 0.00 H new ATOM 0 HA CYS A 22 16.317 -2.019 11.166 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.279 -1.110 10.032 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.361 -2.122 8.935 1.00 0.00 H new ATOM 0 HG CYS A 22 16.124 0.179 7.669 1.00 0.00 H new ATOM 287 N SER A 23 15.204 0.981 10.924 1.00 0.00 N ATOM 288 CA SER A 23 15.072 2.266 11.601 1.00 0.00 C ATOM 289 C SER A 23 16.304 3.134 11.364 1.00 0.00 C ATOM 290 O SER A 23 17.028 3.472 12.300 1.00 0.00 O ATOM 291 CB SER A 23 14.862 2.057 13.102 1.00 0.00 C ATOM 292 OG SER A 23 13.907 1.038 13.346 1.00 0.00 O ATOM 0 H SER A 23 14.517 0.819 10.188 1.00 0.00 H new ATOM 0 HA SER A 23 14.203 2.778 11.188 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.809 1.792 13.572 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.529 2.989 13.559 1.00 0.00 H new ATOM 0 HG SER A 23 13.792 0.922 14.312 1.00 0.00 H new ATOM 298 N ARG A 24 16.535 3.491 10.105 1.00 0.00 N ATOM 299 CA ARG A 24 17.679 4.319 9.743 1.00 0.00 C ATOM 300 C ARG A 24 17.229 5.578 9.007 1.00 0.00 C ATOM 301 O ARG A 24 16.037 5.789 8.789 1.00 0.00 O ATOM 302 CB ARG A 24 18.654 3.526 8.871 1.00 0.00 C ATOM 303 CG ARG A 24 19.638 2.684 9.667 1.00 0.00 C ATOM 304 CD ARG A 24 20.639 3.553 10.412 1.00 0.00 C ATOM 305 NE ARG A 24 21.665 2.756 11.079 1.00 0.00 N ATOM 306 CZ ARG A 24 22.573 3.267 11.903 1.00 0.00 C ATOM 307 NH1 ARG A 24 22.581 4.568 12.160 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.474 2.477 12.472 1.00 0.00 N ATOM 0 H ARG A 24 15.945 3.220 9.318 1.00 0.00 H new ATOM 0 HA ARG A 24 18.184 4.618 10.662 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.086 2.875 8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.210 4.219 8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.094 2.062 10.378 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.169 2.010 8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.113 4.242 9.712 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.114 4.159 11.150 1.00 0.00 H new ATOM 0 HE ARG A 24 21.686 1.752 10.902 1.00 0.00 H new ATOM 0 HH11 ARG A 24 21.889 5.178 11.725 1.00 0.00 H new ATOM 0 HH12 ARG A 24 23.279 4.959 12.793 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.470 1.476 12.277 1.00 0.00 H new ATOM 0 HH22 ARG A 24 24.171 2.871 13.104 1.00 0.00 H new ATOM 322 N GLY A 25 18.193 6.412 8.627 1.00 0.00 N ATOM 323 CA GLY A 25 17.876 7.639 7.921 1.00 0.00 C ATOM 324 C GLY A 25 18.865 7.943 6.813 1.00 0.00 C ATOM 325 O GLY A 25 18.480 8.390 5.733 1.00 0.00 O ATOM 0 H GLY A 25 19.187 6.259 8.796 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.874 7.563 7.499 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.862 8.468 8.628 1.00 0.00 H new ATOM 329 N ASP A 26 20.143 7.701 7.082 1.00 0.00 N ATOM 330 CA ASP A 26 21.192 7.952 6.100 1.00 0.00 C ATOM 331 C ASP A 26 20.955 7.138 4.832 1.00 0.00 C ATOM 332 O ASP A 26 21.449 7.485 3.759 1.00 0.00 O ATOM 333 CB ASP A 26 22.563 7.615 6.688 1.00 0.00 C ATOM 334 CG ASP A 26 23.521 8.789 6.634 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.070 9.934 6.853 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.720 8.564 6.372 1.00 0.00 O ATOM 0 H ASP A 26 20.478 7.331 7.972 1.00 0.00 H new ATOM 0 HA ASP A 26 21.167 9.011 5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.442 7.296 7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 26 22.992 6.774 6.143 1.00 0.00 H new ATOM 341 N GLU A 27 20.198 6.054 4.964 1.00 0.00 N ATOM 342 CA GLU A 27 19.898 5.189 3.828 1.00 0.00 C ATOM 343 C GLU A 27 18.716 5.732 3.029 1.00 0.00 C ATOM 344 O GLU A 27 18.309 5.144 2.026 1.00 0.00 O ATOM 345 CB GLU A 27 19.595 3.768 4.306 1.00 0.00 C ATOM 346 CG GLU A 27 20.839 2.931 4.552 1.00 0.00 C ATOM 347 CD GLU A 27 21.628 2.671 3.283 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.062 2.851 2.185 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.812 2.288 3.390 1.00 0.00 O ATOM 0 H GLU A 27 19.781 5.753 5.845 1.00 0.00 H new ATOM 0 HA GLU A 27 20.774 5.167 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.014 3.819 5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 27 18.972 3.269 3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.477 3.440 5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.550 1.979 4.997 1.00 0.00 H new ATOM 356 N ASP A 28 18.170 6.855 3.481 1.00 0.00 N ATOM 357 CA ASP A 28 17.035 7.477 2.809 1.00 0.00 C ATOM 358 C ASP A 28 17.302 7.623 1.314 1.00 0.00 C ATOM 359 O ASP A 28 16.373 7.626 0.505 1.00 0.00 O ATOM 360 CB ASP A 28 16.740 8.847 3.422 1.00 0.00 C ATOM 361 CG ASP A 28 17.869 9.835 3.203 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.039 9.459 3.431 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.584 10.983 2.804 1.00 0.00 O ATOM 0 H ASP A 28 18.495 7.353 4.310 1.00 0.00 H new ATOM 0 HA ASP A 28 16.167 6.832 2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.823 9.246 2.988 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.563 8.733 4.492 1.00 0.00 H new ATOM 368 N ASP A 29 18.575 7.744 0.954 1.00 0.00 N ATOM 369 CA ASP A 29 18.964 7.890 -0.443 1.00 0.00 C ATOM 370 C ASP A 29 18.336 6.795 -1.300 1.00 0.00 C ATOM 371 O ASP A 29 18.081 6.990 -2.488 1.00 0.00 O ATOM 372 CB ASP A 29 20.487 7.848 -0.578 1.00 0.00 C ATOM 373 CG ASP A 29 21.063 6.490 -0.227 1.00 0.00 C ATOM 374 OD1 ASP A 29 20.831 6.023 0.908 1.00 0.00 O ATOM 375 OD2 ASP A 29 21.744 5.895 -1.087 1.00 0.00 O ATOM 0 H ASP A 29 19.355 7.744 1.611 1.00 0.00 H new ATOM 0 HA ASP A 29 18.602 8.856 -0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.765 8.104 -1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.927 8.605 0.071 1.00 0.00 H new ATOM 380 N LYS A 30 18.088 5.641 -0.688 1.00 0.00 N ATOM 381 CA LYS A 30 17.489 4.514 -1.393 1.00 0.00 C ATOM 382 C LYS A 30 16.215 4.051 -0.695 1.00 0.00 C ATOM 383 O LYS A 30 15.883 2.865 -0.708 1.00 0.00 O ATOM 384 CB LYS A 30 18.485 3.355 -1.482 1.00 0.00 C ATOM 385 CG LYS A 30 19.563 3.558 -2.531 1.00 0.00 C ATOM 386 CD LYS A 30 20.545 2.399 -2.554 1.00 0.00 C ATOM 387 CE LYS A 30 20.828 1.935 -3.975 1.00 0.00 C ATOM 388 NZ LYS A 30 21.214 3.068 -4.861 1.00 0.00 N ATOM 0 H LYS A 30 18.293 5.462 0.295 1.00 0.00 H new ATOM 0 HA LYS A 30 17.231 4.842 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.958 3.218 -0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.942 2.437 -1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.101 3.664 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.098 4.486 -2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.477 2.701 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.143 1.569 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.628 1.194 -3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.944 1.443 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.816 2.716 -5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.358 3.503 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.738 3.777 -4.309 1.00 0.00 H new ATOM 402 N LEU A 31 15.503 4.994 -0.087 1.00 0.00 N ATOM 403 CA LEU A 31 14.262 4.683 0.615 1.00 0.00 C ATOM 404 C LEU A 31 13.074 4.712 -0.340 1.00 0.00 C ATOM 405 O LEU A 31 12.994 5.567 -1.224 1.00 0.00 O ATOM 406 CB LEU A 31 14.037 5.675 1.758 1.00 0.00 C ATOM 407 CG LEU A 31 14.239 5.128 3.171 1.00 0.00 C ATOM 408 CD1 LEU A 31 13.988 6.214 4.205 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.327 3.934 3.416 1.00 0.00 C ATOM 0 H LEU A 31 15.764 5.980 -0.066 1.00 0.00 H new ATOM 0 HA LEU A 31 14.349 3.677 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.711 6.520 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.021 6.062 1.682 1.00 0.00 H new ATOM 0 HG LEU A 31 15.273 4.796 3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.137 5.806 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.682 7.038 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.965 6.577 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.484 3.557 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.287 4.241 3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.556 3.148 2.696 1.00 0.00 H new ATOM 421 N LEU A 32 12.151 3.775 -0.157 1.00 0.00 N ATOM 422 CA LEU A 32 10.964 3.694 -1.001 1.00 0.00 C ATOM 423 C LEU A 32 9.747 4.275 -0.287 1.00 0.00 C ATOM 424 O LEU A 32 9.676 4.273 0.942 1.00 0.00 O ATOM 425 CB LEU A 32 10.692 2.241 -1.394 1.00 0.00 C ATOM 426 CG LEU A 32 11.557 1.678 -2.523 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.969 1.406 -2.028 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.935 0.410 -3.090 1.00 0.00 C ATOM 0 H LEU A 32 12.201 3.060 0.569 1.00 0.00 H new ATOM 0 HA LEU A 32 11.148 4.280 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.829 1.615 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.646 2.155 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 32 11.610 2.420 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.570 1.006 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.414 2.334 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.936 0.682 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.564 0.023 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.851 -0.338 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.944 0.635 -3.483 1.00 0.00 H new ATOM 440 N PHE A 33 8.792 4.771 -1.067 1.00 0.00 N ATOM 441 CA PHE A 33 7.577 5.355 -0.509 1.00 0.00 C ATOM 442 C PHE A 33 6.348 4.551 -0.924 1.00 0.00 C ATOM 443 O PHE A 33 6.152 4.259 -2.104 1.00 0.00 O ATOM 444 CB PHE A 33 7.428 6.807 -0.966 1.00 0.00 C ATOM 445 CG PHE A 33 8.693 7.608 -0.838 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.339 7.718 0.383 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.236 8.251 -1.939 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.501 8.455 0.503 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.399 8.989 -1.825 1.00 0.00 C ATOM 450 CZ PHE A 33 11.033 9.090 -0.602 1.00 0.00 C ATOM 0 H PHE A 33 8.836 4.780 -2.086 1.00 0.00 H new ATOM 0 HA PHE A 33 7.657 5.330 0.578 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.102 6.821 -2.006 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.643 7.285 -0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.929 7.222 1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.744 8.174 -2.898 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.993 8.535 1.461 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.811 9.486 -2.691 1.00 0.00 H new ATOM 0 HZ PHE A 33 11.943 9.664 -0.510 1.00 0.00 H new ATOM 460 N CYS A 34 5.523 4.196 0.055 1.00 0.00 N ATOM 461 CA CYS A 34 4.313 3.425 -0.205 1.00 0.00 C ATOM 462 C CYS A 34 3.165 4.340 -0.622 1.00 0.00 C ATOM 463 O CYS A 34 2.984 5.421 -0.062 1.00 0.00 O ATOM 464 CB CYS A 34 3.916 2.624 1.037 1.00 0.00 C ATOM 465 SG CYS A 34 2.290 1.812 0.910 1.00 0.00 S ATOM 0 H CYS A 34 5.670 4.430 1.037 1.00 0.00 H new ATOM 0 HA CYS A 34 4.520 2.735 -1.023 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.675 1.865 1.225 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.911 3.290 1.900 1.00 0.00 H new ATOM 0 HG CYS A 34 2.293 0.722 1.619 1.00 0.00 H new ATOM 470 N ASP A 35 2.393 3.898 -1.609 1.00 0.00 N ATOM 471 CA ASP A 35 1.261 4.675 -2.101 1.00 0.00 C ATOM 472 C ASP A 35 -0.017 4.307 -1.354 1.00 0.00 C ATOM 473 O ASP A 35 -1.066 4.102 -1.962 1.00 0.00 O ATOM 474 CB ASP A 35 1.073 4.448 -3.602 1.00 0.00 C ATOM 475 CG ASP A 35 0.030 5.370 -4.200 1.00 0.00 C ATOM 476 OD1 ASP A 35 0.125 6.596 -3.980 1.00 0.00 O ATOM 477 OD2 ASP A 35 -0.883 4.867 -4.888 1.00 0.00 O ATOM 0 H ASP A 35 2.530 3.006 -2.084 1.00 0.00 H new ATOM 0 HA ASP A 35 1.472 5.730 -1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.024 4.601 -4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.781 3.412 -3.776 1.00 0.00 H new ATOM 482 N GLY A 36 0.080 4.222 -0.030 1.00 0.00 N ATOM 483 CA GLY A 36 -1.074 3.877 0.778 1.00 0.00 C ATOM 484 C GLY A 36 -0.927 4.321 2.220 1.00 0.00 C ATOM 485 O GLY A 36 -1.888 4.778 2.838 1.00 0.00 O ATOM 0 H GLY A 36 0.938 4.386 0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.964 4.336 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.226 2.798 0.747 1.00 0.00 H new ATOM 489 N CYS A 37 0.280 4.184 2.758 1.00 0.00 N ATOM 490 CA CYS A 37 0.551 4.572 4.137 1.00 0.00 C ATOM 491 C CYS A 37 1.720 5.550 4.207 1.00 0.00 C ATOM 492 O CYS A 37 2.077 6.032 5.283 1.00 0.00 O ATOM 493 CB CYS A 37 0.854 3.336 4.987 1.00 0.00 C ATOM 494 SG CYS A 37 2.369 2.451 4.497 1.00 0.00 S ATOM 0 H CYS A 37 1.086 3.807 2.260 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.337 5.066 4.530 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.944 3.639 6.030 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.009 2.650 4.926 1.00 0.00 H new ATOM 0 HG CYS A 37 2.342 2.220 3.218 1.00 0.00 H new ATOM 499 N ASP A 38 2.313 5.839 3.054 1.00 0.00 N ATOM 500 CA ASP A 38 3.441 6.761 2.983 1.00 0.00 C ATOM 501 C ASP A 38 4.525 6.369 3.982 1.00 0.00 C ATOM 502 O ASP A 38 4.921 7.169 4.830 1.00 0.00 O ATOM 503 CB ASP A 38 2.975 8.192 3.253 1.00 0.00 C ATOM 504 CG ASP A 38 4.087 9.207 3.072 1.00 0.00 C ATOM 505 OD1 ASP A 38 5.091 8.874 2.409 1.00 0.00 O ATOM 506 OD2 ASP A 38 3.954 10.333 3.595 1.00 0.00 O ATOM 0 H ASP A 38 2.031 5.448 2.155 1.00 0.00 H new ATOM 0 HA ASP A 38 3.860 6.708 1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.152 8.436 2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.588 8.259 4.270 1.00 0.00 H new ATOM 511 N ASP A 39 5.002 5.134 3.876 1.00 0.00 N ATOM 512 CA ASP A 39 6.041 4.635 4.770 1.00 0.00 C ATOM 513 C ASP A 39 7.403 4.655 4.084 1.00 0.00 C ATOM 514 O ASP A 39 7.521 5.059 2.927 1.00 0.00 O ATOM 515 CB ASP A 39 5.709 3.215 5.231 1.00 0.00 C ATOM 516 CG ASP A 39 4.880 3.198 6.500 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.125 4.166 6.729 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.988 2.217 7.266 1.00 0.00 O ATOM 0 H ASP A 39 4.686 4.459 3.179 1.00 0.00 H new ATOM 0 HA ASP A 39 6.083 5.290 5.640 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.168 2.696 4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.635 2.664 5.398 1.00 0.00 H new ATOM 523 N ASN A 40 8.430 4.217 4.805 1.00 0.00 N ATOM 524 CA ASN A 40 9.785 4.186 4.266 1.00 0.00 C ATOM 525 C ASN A 40 10.377 2.784 4.363 1.00 0.00 C ATOM 526 O ASN A 40 10.471 2.212 5.449 1.00 0.00 O ATOM 527 CB ASN A 40 10.676 5.181 5.013 1.00 0.00 C ATOM 528 CG ASN A 40 9.917 6.417 5.457 1.00 0.00 C ATOM 529 OD1 ASN A 40 9.874 6.739 6.644 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.314 7.115 4.502 1.00 0.00 N ATOM 0 H ASN A 40 8.350 3.879 5.764 1.00 0.00 H new ATOM 0 HA ASN A 40 9.738 4.469 3.214 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.110 4.692 5.885 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.504 5.478 4.369 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.788 7.956 4.740 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.377 6.810 3.531 1.00 0.00 H new ATOM 537 N TYR A 41 10.775 2.236 3.220 1.00 0.00 N ATOM 538 CA TYR A 41 11.357 0.899 3.175 1.00 0.00 C ATOM 539 C TYR A 41 12.540 0.852 2.213 1.00 0.00 C ATOM 540 O TYR A 41 12.464 1.354 1.091 1.00 0.00 O ATOM 541 CB TYR A 41 10.302 -0.125 2.755 1.00 0.00 C ATOM 542 CG TYR A 41 9.247 -0.375 3.808 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.435 -1.336 4.794 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.062 0.351 3.818 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.473 -1.568 5.758 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.095 0.126 4.779 1.00 0.00 C ATOM 547 CZ TYR A 41 7.305 -0.834 5.746 1.00 0.00 C ATOM 548 OH TYR A 41 6.345 -1.062 6.706 1.00 0.00 O ATOM 0 H TYR A 41 10.705 2.697 2.313 1.00 0.00 H new ATOM 0 HA TYR A 41 11.715 0.652 4.174 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.817 0.220 1.842 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.797 -1.067 2.518 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.349 -1.911 4.807 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.894 1.104 3.062 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.634 -2.320 6.517 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.180 0.699 4.773 1.00 0.00 H new ATOM 0 HH TYR A 41 5.585 -0.462 6.557 1.00 0.00 H new ATOM 558 N HIS A 42 13.635 0.245 2.661 1.00 0.00 N ATOM 559 CA HIS A 42 14.835 0.130 1.840 1.00 0.00 C ATOM 560 C HIS A 42 14.695 -1.003 0.829 1.00 0.00 C ATOM 561 O HIS A 42 13.696 -1.723 0.823 1.00 0.00 O ATOM 562 CB HIS A 42 16.061 -0.107 2.723 1.00 0.00 C ATOM 563 CG HIS A 42 16.371 1.038 3.637 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.001 0.880 4.853 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.137 2.364 3.505 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.139 2.060 5.432 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.623 2.978 4.634 1.00 0.00 N ATOM 0 H HIS A 42 13.716 -0.174 3.587 1.00 0.00 H new ATOM 0 HA HIS A 42 14.964 1.065 1.295 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.900 -1.005 3.320 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.925 -0.298 2.087 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.657 2.850 2.668 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.596 2.243 6.393 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.591 3.979 4.825 1.00 0.00 H new ATOM 575 N ILE A 43 15.701 -1.155 -0.025 1.00 0.00 N ATOM 576 CA ILE A 43 15.690 -2.201 -1.041 1.00 0.00 C ATOM 577 C ILE A 43 16.383 -3.463 -0.538 1.00 0.00 C ATOM 578 O ILE A 43 16.307 -4.519 -1.167 1.00 0.00 O ATOM 579 CB ILE A 43 16.377 -1.734 -2.338 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.833 -1.353 -2.061 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.622 -0.560 -2.943 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.674 -1.234 -3.313 1.00 0.00 C ATOM 0 H ILE A 43 16.535 -0.567 -0.034 1.00 0.00 H new ATOM 0 HA ILE A 43 14.644 -2.423 -1.253 1.00 0.00 H new ATOM 0 HB ILE A 43 16.367 -2.556 -3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.856 -0.404 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.277 -2.101 -1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 43 16.119 -0.241 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.600 -0.863 -3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.605 0.267 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.694 -0.962 -3.042 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.681 -2.189 -3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.254 -0.466 -3.962 1.00 0.00 H new ATOM 594 N PHE A 44 17.057 -3.348 0.601 1.00 0.00 N ATOM 595 CA PHE A 44 17.763 -4.479 1.190 1.00 0.00 C ATOM 596 C PHE A 44 17.189 -4.825 2.561 1.00 0.00 C ATOM 597 O PHE A 44 17.827 -5.513 3.359 1.00 0.00 O ATOM 598 CB PHE A 44 19.256 -4.168 1.314 1.00 0.00 C ATOM 599 CG PHE A 44 19.540 -2.834 1.944 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.648 -1.694 1.164 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.698 -2.720 3.315 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.909 -0.465 1.740 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.958 -1.494 3.897 1.00 0.00 C ATOM 604 CZ PHE A 44 20.065 -0.365 3.108 1.00 0.00 C ATOM 0 H PHE A 44 17.129 -2.482 1.135 1.00 0.00 H new ATOM 0 HA PHE A 44 17.631 -5.339 0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.734 -4.949 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.709 -4.197 0.323 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.527 -1.767 0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.617 -3.599 3.937 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.991 0.416 1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.077 -1.418 4.968 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.270 0.594 3.561 1.00 0.00 H new ATOM 614 N CYS A 45 15.979 -4.343 2.828 1.00 0.00 N ATOM 615 CA CYS A 45 15.318 -4.599 4.101 1.00 0.00 C ATOM 616 C CYS A 45 14.071 -5.457 3.904 1.00 0.00 C ATOM 617 O CYS A 45 13.621 -6.139 4.826 1.00 0.00 O ATOM 618 CB CYS A 45 14.940 -3.280 4.778 1.00 0.00 C ATOM 619 SG CYS A 45 16.313 -2.485 5.674 1.00 0.00 S ATOM 0 H CYS A 45 15.437 -3.773 2.179 1.00 0.00 H new ATOM 0 HA CYS A 45 16.014 -5.142 4.740 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.566 -2.590 4.022 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.123 -3.463 5.475 1.00 0.00 H new ATOM 0 HG CYS A 45 16.391 -1.235 5.327 1.00 0.00 H new ATOM 624 N LEU A 46 13.518 -5.417 2.697 1.00 0.00 N ATOM 625 CA LEU A 46 12.323 -6.191 2.377 1.00 0.00 C ATOM 626 C LEU A 46 12.647 -7.679 2.281 1.00 0.00 C ATOM 627 O LEU A 46 13.740 -8.112 2.649 1.00 0.00 O ATOM 628 CB LEU A 46 11.714 -5.704 1.061 1.00 0.00 C ATOM 629 CG LEU A 46 11.616 -4.188 0.887 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.357 -3.834 -0.569 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.524 -3.618 1.779 1.00 0.00 C ATOM 0 H LEU A 46 13.877 -4.857 1.924 1.00 0.00 H new ATOM 0 HA LEU A 46 11.601 -6.047 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.306 -6.106 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.713 -6.126 0.969 1.00 0.00 H new ATOM 0 HG LEU A 46 12.567 -3.745 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.290 -2.751 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.174 -4.209 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.421 -4.288 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.469 -2.538 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.567 -4.067 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.753 -3.840 2.821 1.00 0.00 H new ATOM 643 N LEU A 47 11.692 -8.456 1.782 1.00 0.00 N ATOM 644 CA LEU A 47 11.876 -9.895 1.635 1.00 0.00 C ATOM 645 C LEU A 47 10.742 -10.509 0.821 1.00 0.00 C ATOM 646 O LEU A 47 9.619 -10.672 1.299 1.00 0.00 O ATOM 647 CB LEU A 47 11.952 -10.563 3.009 1.00 0.00 C ATOM 648 CG LEU A 47 12.978 -11.687 3.154 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.501 -11.751 4.581 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.369 -13.021 2.747 1.00 0.00 C ATOM 0 H LEU A 47 10.782 -8.113 1.472 1.00 0.00 H new ATOM 0 HA LEU A 47 12.813 -10.064 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.175 -9.797 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.968 -10.964 3.251 1.00 0.00 H new ATOM 0 HG LEU A 47 13.816 -11.476 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.230 -12.557 4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.976 -10.804 4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.673 -11.938 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.114 -13.809 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.512 -13.240 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.044 -12.971 1.708 1.00 0.00 H new ATOM 662 N PRO A 48 11.040 -10.860 -0.439 1.00 0.00 N ATOM 663 CA PRO A 48 12.373 -10.670 -1.019 1.00 0.00 C ATOM 664 C PRO A 48 12.702 -9.199 -1.247 1.00 0.00 C ATOM 665 O PRO A 48 11.827 -8.378 -1.525 1.00 0.00 O ATOM 666 CB PRO A 48 12.287 -11.412 -2.355 1.00 0.00 C ATOM 667 CG PRO A 48 10.838 -11.402 -2.702 1.00 0.00 C ATOM 668 CD PRO A 48 10.099 -11.468 -1.394 1.00 0.00 C ATOM 0 HA PRO A 48 13.160 -11.038 -0.361 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.881 -10.916 -3.122 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.666 -12.430 -2.267 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.575 -10.500 -3.254 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.583 -12.250 -3.338 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.158 -10.919 -1.436 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.857 -12.495 -1.121 1.00 0.00 H new ATOM 676 N PRO A 49 13.993 -8.855 -1.129 1.00 0.00 N ATOM 677 CA PRO A 49 14.467 -7.481 -1.320 1.00 0.00 C ATOM 678 C PRO A 49 14.380 -7.034 -2.775 1.00 0.00 C ATOM 679 O PRO A 49 14.013 -7.816 -3.654 1.00 0.00 O ATOM 680 CB PRO A 49 15.927 -7.543 -0.866 1.00 0.00 C ATOM 681 CG PRO A 49 16.325 -8.965 -1.063 1.00 0.00 C ATOM 682 CD PRO A 49 15.089 -9.781 -0.800 1.00 0.00 C ATOM 0 HA PRO A 49 13.864 -6.762 -0.766 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.553 -6.872 -1.454 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.030 -7.244 0.177 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.694 -9.130 -2.075 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.129 -9.243 -0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 49 15.059 -10.676 -1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.039 -10.111 0.238 1.00 0.00 H new ATOM 690 N LEU A 50 14.719 -5.774 -3.024 1.00 0.00 N ATOM 691 CA LEU A 50 14.680 -5.224 -4.374 1.00 0.00 C ATOM 692 C LEU A 50 16.071 -4.789 -4.825 1.00 0.00 C ATOM 693 O LEU A 50 16.964 -4.540 -4.015 1.00 0.00 O ATOM 694 CB LEU A 50 13.718 -4.036 -4.434 1.00 0.00 C ATOM 695 CG LEU A 50 12.231 -4.381 -4.519 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.384 -3.122 -4.415 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.928 -5.124 -5.812 1.00 0.00 C ATOM 0 H LEU A 50 15.024 -5.114 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 50 14.327 -6.005 -5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.878 -3.420 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.979 -3.426 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 50 11.981 -5.033 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.329 -3.387 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.579 -2.630 -3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.637 -2.445 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.865 -5.361 -5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.194 -4.497 -6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.507 -6.047 -5.846 1.00 0.00 H new ATOM 709 N PRO A 51 16.261 -4.694 -6.149 1.00 0.00 N ATOM 710 CA PRO A 51 17.540 -4.286 -6.739 1.00 0.00 C ATOM 711 C PRO A 51 17.850 -2.814 -6.489 1.00 0.00 C ATOM 712 O PRO A 51 18.986 -2.454 -6.181 1.00 0.00 O ATOM 713 CB PRO A 51 17.340 -4.544 -8.234 1.00 0.00 C ATOM 714 CG PRO A 51 15.867 -4.458 -8.440 1.00 0.00 C ATOM 715 CD PRO A 51 15.241 -4.975 -7.174 1.00 0.00 C ATOM 0 HA PRO A 51 18.380 -4.831 -6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.868 -3.805 -8.837 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.723 -5.523 -8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.560 -3.431 -8.636 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.558 -5.053 -9.299 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.301 -4.469 -6.955 1.00 0.00 H new ATOM 0 HD3 PRO A 51 15.021 -6.041 -7.241 1.00 0.00 H new ATOM 723 N GLU A 52 16.833 -1.968 -6.624 1.00 0.00 N ATOM 724 CA GLU A 52 17.000 -0.535 -6.412 1.00 0.00 C ATOM 725 C GLU A 52 15.651 0.178 -6.434 1.00 0.00 C ATOM 726 O GLU A 52 14.610 -0.447 -6.638 1.00 0.00 O ATOM 727 CB GLU A 52 17.919 0.057 -7.483 1.00 0.00 C ATOM 728 CG GLU A 52 17.444 -0.199 -8.903 1.00 0.00 C ATOM 729 CD GLU A 52 17.973 0.825 -9.889 1.00 0.00 C ATOM 730 OE1 GLU A 52 17.380 1.920 -9.980 1.00 0.00 O ATOM 731 OE2 GLU A 52 18.978 0.531 -10.568 1.00 0.00 O ATOM 0 H GLU A 52 15.886 -2.250 -6.879 1.00 0.00 H new ATOM 0 HA GLU A 52 17.454 -0.388 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.001 1.132 -7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.919 -0.360 -7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.761 -1.195 -9.214 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.354 -0.190 -8.925 1.00 0.00 H new ATOM 738 N ILE A 53 15.678 1.489 -6.221 1.00 0.00 N ATOM 739 CA ILE A 53 14.459 2.288 -6.217 1.00 0.00 C ATOM 740 C ILE A 53 13.632 2.036 -7.473 1.00 0.00 C ATOM 741 O ILE A 53 14.139 2.062 -8.595 1.00 0.00 O ATOM 742 CB ILE A 53 14.771 3.792 -6.114 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.187 4.153 -4.686 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.566 4.614 -6.544 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.058 4.050 -3.684 1.00 0.00 C ATOM 0 H ILE A 53 16.531 2.021 -6.049 1.00 0.00 H new ATOM 0 HA ILE A 53 13.886 1.984 -5.341 1.00 0.00 H new ATOM 0 HB ILE A 53 15.600 4.022 -6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.999 3.495 -4.375 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.579 5.170 -4.676 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.803 5.675 -6.465 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.312 4.374 -7.576 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.719 4.383 -5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.425 4.320 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.254 4.728 -3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.681 3.028 -3.665 1.00 0.00 H new ATOM 757 N PRO A 54 12.328 1.789 -7.284 1.00 0.00 N ATOM 758 CA PRO A 54 11.402 1.531 -8.390 1.00 0.00 C ATOM 759 C PRO A 54 11.144 2.775 -9.233 1.00 0.00 C ATOM 760 O PRO A 54 11.558 3.877 -8.872 1.00 0.00 O ATOM 761 CB PRO A 54 10.118 1.088 -7.683 1.00 0.00 C ATOM 762 CG PRO A 54 10.196 1.712 -6.332 1.00 0.00 C ATOM 763 CD PRO A 54 11.656 1.743 -5.974 1.00 0.00 C ATOM 0 HA PRO A 54 11.797 0.792 -9.088 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.233 1.423 -8.223 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.058 0.002 -7.615 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.775 2.717 -6.342 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.627 1.135 -5.602 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.902 2.613 -5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.949 0.862 -5.403 1.00 0.00 H new ATOM 771 N ARG A 55 10.458 2.592 -10.356 1.00 0.00 N ATOM 772 CA ARG A 55 10.146 3.700 -11.250 1.00 0.00 C ATOM 773 C ARG A 55 8.751 4.251 -10.967 1.00 0.00 C ATOM 774 O ARG A 55 8.603 5.331 -10.396 1.00 0.00 O ATOM 775 CB ARG A 55 10.241 3.249 -12.709 1.00 0.00 C ATOM 776 CG ARG A 55 11.666 3.166 -13.229 1.00 0.00 C ATOM 777 CD ARG A 55 11.809 3.857 -14.576 1.00 0.00 C ATOM 778 NE ARG A 55 11.030 3.192 -15.617 1.00 0.00 N ATOM 779 CZ ARG A 55 11.115 3.497 -16.907 1.00 0.00 C ATOM 780 NH1 ARG A 55 11.941 4.452 -17.313 1.00 0.00 N ATOM 781 NH2 ARG A 55 10.374 2.847 -17.795 1.00 0.00 N ATOM 0 H ARG A 55 10.108 1.686 -10.668 1.00 0.00 H new ATOM 0 HA ARG A 55 10.874 4.492 -11.073 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.769 2.272 -12.810 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.676 3.942 -13.332 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.344 3.625 -12.510 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.960 2.121 -13.322 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.485 4.894 -14.488 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.860 3.874 -14.865 1.00 0.00 H new ATOM 0 HE ARG A 55 10.385 2.453 -15.338 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.513 4.954 -16.634 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.004 4.684 -18.304 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.738 2.112 -17.488 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.441 3.083 -18.785 1.00 0.00 H new ATOM 795 N GLY A 56 7.730 3.501 -11.370 1.00 0.00 N ATOM 796 CA GLY A 56 6.361 3.930 -11.152 1.00 0.00 C ATOM 797 C GLY A 56 5.988 3.951 -9.683 1.00 0.00 C ATOM 798 O GLY A 56 6.814 4.279 -8.830 1.00 0.00 O ATOM 0 H GLY A 56 7.827 2.603 -11.844 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.224 4.926 -11.573 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.685 3.263 -11.686 1.00 0.00 H new ATOM 802 N ILE A 57 4.741 3.603 -9.386 1.00 0.00 N ATOM 803 CA ILE A 57 4.260 3.584 -8.010 1.00 0.00 C ATOM 804 C ILE A 57 4.646 2.285 -7.311 1.00 0.00 C ATOM 805 O ILE A 57 4.435 1.195 -7.844 1.00 0.00 O ATOM 806 CB ILE A 57 2.731 3.754 -7.945 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.318 5.094 -8.559 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.247 3.653 -6.507 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.821 5.258 -8.701 1.00 0.00 C ATOM 0 H ILE A 57 4.045 3.330 -10.080 1.00 0.00 H new ATOM 0 HA ILE A 57 4.732 4.423 -7.499 1.00 0.00 H new ATOM 0 HB ILE A 57 2.267 2.953 -8.521 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.707 5.903 -7.941 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.781 5.193 -9.541 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.164 3.775 -6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.513 2.677 -6.101 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.716 4.434 -5.909 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.602 6.230 -9.143 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.428 4.470 -9.344 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.353 5.192 -7.719 1.00 0.00 H new ATOM 821 N TRP A 58 5.210 2.408 -6.115 1.00 0.00 N ATOM 822 CA TRP A 58 5.623 1.243 -5.341 1.00 0.00 C ATOM 823 C TRP A 58 4.854 1.161 -4.027 1.00 0.00 C ATOM 824 O TRP A 58 4.609 2.177 -3.377 1.00 0.00 O ATOM 825 CB TRP A 58 7.127 1.296 -5.064 1.00 0.00 C ATOM 826 CG TRP A 58 7.614 0.166 -4.209 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.142 -1.018 -4.639 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.616 0.113 -2.778 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.472 -1.804 -3.561 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.160 -1.132 -2.408 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.214 0.997 -1.774 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.309 -1.513 -1.078 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.362 0.618 -0.454 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.907 -0.628 -0.115 1.00 0.00 C ATOM 0 H TRP A 58 5.392 3.303 -5.660 1.00 0.00 H new ATOM 0 HA TRP A 58 5.400 0.351 -5.927 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.664 1.282 -6.012 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.366 2.241 -4.576 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.280 -1.296 -5.674 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.883 -2.736 -3.611 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.795 1.960 -2.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.727 -2.473 -0.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.053 1.293 0.330 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.012 -0.895 0.926 1.00 0.00 H new ATOM 845 N ARG A 59 4.477 -0.054 -3.642 1.00 0.00 N ATOM 846 CA ARG A 59 3.735 -0.267 -2.405 1.00 0.00 C ATOM 847 C ARG A 59 4.520 -1.159 -1.447 1.00 0.00 C ATOM 848 O ARG A 59 5.427 -1.883 -1.858 1.00 0.00 O ATOM 849 CB ARG A 59 2.373 -0.896 -2.705 1.00 0.00 C ATOM 850 CG ARG A 59 1.210 0.071 -2.559 1.00 0.00 C ATOM 851 CD ARG A 59 -0.042 -0.634 -2.062 1.00 0.00 C ATOM 852 NE ARG A 59 -1.143 -0.533 -3.017 1.00 0.00 N ATOM 853 CZ ARG A 59 -2.411 -0.777 -2.705 1.00 0.00 C ATOM 854 NH1 ARG A 59 -2.736 -1.135 -1.470 1.00 0.00 N ATOM 855 NH2 ARG A 59 -3.356 -0.664 -3.629 1.00 0.00 N ATOM 0 H ARG A 59 4.673 -0.905 -4.168 1.00 0.00 H new ATOM 0 HA ARG A 59 3.583 0.702 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.381 -1.291 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.217 -1.742 -2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.481 0.866 -1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.006 0.544 -3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.183 -1.685 -1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.348 -0.201 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.926 -0.260 -3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.012 -1.223 -0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.710 -1.322 -1.233 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.109 -0.390 -4.580 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.329 -0.852 -3.389 1.00 0.00 H new ATOM 869 N CYS A 60 4.166 -1.099 -0.168 1.00 0.00 N ATOM 870 CA CYS A 60 4.836 -1.900 0.849 1.00 0.00 C ATOM 871 C CYS A 60 4.073 -3.195 1.113 1.00 0.00 C ATOM 872 O CYS A 60 2.881 -3.311 0.829 1.00 0.00 O ATOM 873 CB CYS A 60 4.972 -1.102 2.148 1.00 0.00 C ATOM 874 SG CYS A 60 3.437 -1.001 3.123 1.00 0.00 S ATOM 0 H CYS A 60 3.419 -0.504 0.189 1.00 0.00 H new ATOM 0 HA CYS A 60 5.830 -2.154 0.479 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.750 -1.557 2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.305 -0.092 1.908 1.00 0.00 H new ATOM 0 HG CYS A 60 3.231 0.232 3.481 1.00 0.00 H new ATOM 879 N PRO A 61 4.776 -4.193 1.669 1.00 0.00 N ATOM 880 CA PRO A 61 4.186 -5.497 1.984 1.00 0.00 C ATOM 881 C PRO A 61 3.194 -5.421 3.139 1.00 0.00 C ATOM 882 O PRO A 61 2.296 -6.255 3.257 1.00 0.00 O ATOM 883 CB PRO A 61 5.396 -6.349 2.373 1.00 0.00 C ATOM 884 CG PRO A 61 6.412 -5.369 2.850 1.00 0.00 C ATOM 885 CD PRO A 61 6.201 -4.124 2.034 1.00 0.00 C ATOM 0 HA PRO A 61 3.616 -5.899 1.147 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.141 -7.066 3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.767 -6.922 1.523 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.288 -5.164 3.913 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.422 -5.757 2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.426 -3.225 2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.841 -4.108 1.152 1.00 0.00 H new ATOM 893 N LYS A 62 3.362 -4.415 3.991 1.00 0.00 N ATOM 894 CA LYS A 62 2.480 -4.228 5.138 1.00 0.00 C ATOM 895 C LYS A 62 1.094 -3.777 4.690 1.00 0.00 C ATOM 896 O LYS A 62 0.121 -3.893 5.436 1.00 0.00 O ATOM 897 CB LYS A 62 3.076 -3.199 6.102 1.00 0.00 C ATOM 898 CG LYS A 62 4.103 -3.784 7.056 1.00 0.00 C ATOM 899 CD LYS A 62 5.381 -4.170 6.331 1.00 0.00 C ATOM 900 CE LYS A 62 6.453 -4.638 7.303 1.00 0.00 C ATOM 901 NZ LYS A 62 7.110 -5.892 6.842 1.00 0.00 N ATOM 0 H LYS A 62 4.101 -3.717 3.909 1.00 0.00 H new ATOM 0 HA LYS A 62 2.383 -5.185 5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.542 -2.400 5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.271 -2.747 6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.331 -3.058 7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.684 -4.661 7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.168 -4.962 5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.751 -3.316 5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.204 -3.856 7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.007 -4.801 8.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.834 -6.178 7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.398 -6.645 6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.557 -5.730 5.917 1.00 0.00 H new ATOM 915 N CYS A 63 1.009 -3.264 3.467 1.00 0.00 N ATOM 916 CA CYS A 63 -0.258 -2.797 2.919 1.00 0.00 C ATOM 917 C CYS A 63 -0.830 -3.809 1.931 1.00 0.00 C ATOM 918 O CYS A 63 -2.030 -4.085 1.933 1.00 0.00 O ATOM 919 CB CYS A 63 -0.071 -1.444 2.228 1.00 0.00 C ATOM 920 SG CYS A 63 -0.060 -0.023 3.368 1.00 0.00 S ATOM 0 H CYS A 63 1.804 -3.161 2.836 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.961 -2.683 3.744 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.867 -1.458 1.673 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.870 -1.306 1.500 1.00 0.00 H new ATOM 0 HG CYS A 63 1.161 0.395 3.529 1.00 0.00 H new ATOM 925 N ILE A 64 0.038 -4.360 1.088 1.00 0.00 N ATOM 926 CA ILE A 64 -0.380 -5.343 0.096 1.00 0.00 C ATOM 927 C ILE A 64 -0.852 -6.631 0.763 1.00 0.00 C ATOM 928 O ILE A 64 -1.888 -7.188 0.399 1.00 0.00 O ATOM 929 CB ILE A 64 0.760 -5.674 -0.884 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.245 -4.402 -1.584 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.300 -6.704 -1.904 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.629 -4.532 -2.182 1.00 0.00 C ATOM 0 H ILE A 64 1.034 -4.142 1.072 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.207 -4.899 -0.458 1.00 0.00 H new ATOM 0 HB ILE A 64 1.592 -6.097 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.540 -4.140 -2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.243 -3.580 -0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.117 -6.927 -2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.001 -7.616 -1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.546 -6.308 -2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.908 -3.594 -2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.346 -4.764 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.632 -5.332 -2.922 1.00 0.00 H new ATOM 944 N LEU A 65 -0.086 -7.097 1.743 1.00 0.00 N ATOM 945 CA LEU A 65 -0.426 -8.320 2.464 1.00 0.00 C ATOM 946 C LEU A 65 -1.706 -8.136 3.273 1.00 0.00 C ATOM 947 O LEU A 65 -2.333 -9.110 3.689 1.00 0.00 O ATOM 948 CB LEU A 65 0.723 -8.725 3.389 1.00 0.00 C ATOM 949 CG LEU A 65 2.041 -9.087 2.704 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.176 -9.124 3.715 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.920 -10.424 1.986 1.00 0.00 C ATOM 0 H LEU A 65 0.774 -6.647 2.057 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.591 -9.111 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.910 -7.905 4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.400 -9.579 3.984 1.00 0.00 H new ATOM 0 HG LEU A 65 2.266 -8.319 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.106 -9.383 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.278 -8.145 4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.958 -9.870 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.868 -10.665 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.671 -11.203 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.135 -10.362 1.232 1.00 0.00 H new ATOM 963 N ALA A 66 -2.088 -6.882 3.490 1.00 0.00 N ATOM 964 CA ALA A 66 -3.295 -6.571 4.246 1.00 0.00 C ATOM 965 C ALA A 66 -4.494 -6.403 3.319 1.00 0.00 C ATOM 966 O ALA A 66 -5.557 -6.977 3.555 1.00 0.00 O ATOM 967 CB ALA A 66 -3.088 -5.314 5.078 1.00 0.00 C ATOM 0 H ALA A 66 -1.579 -6.065 3.153 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.500 -7.406 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.997 -5.094 5.637 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.263 -5.470 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.855 -4.477 4.420 1.00 0.00 H new ATOM 973 N GLU A 67 -4.316 -5.613 2.265 1.00 0.00 N ATOM 974 CA GLU A 67 -5.386 -5.369 1.305 1.00 0.00 C ATOM 975 C GLU A 67 -5.693 -6.629 0.501 1.00 0.00 C ATOM 976 O GLU A 67 -6.824 -6.836 0.060 1.00 0.00 O ATOM 977 CB GLU A 67 -5.002 -4.229 0.359 1.00 0.00 C ATOM 978 CG GLU A 67 -3.813 -4.550 -0.530 1.00 0.00 C ATOM 979 CD GLU A 67 -4.220 -4.872 -1.955 1.00 0.00 C ATOM 980 OE1 GLU A 67 -4.872 -4.018 -2.593 1.00 0.00 O ATOM 981 OE2 GLU A 67 -3.888 -5.977 -2.433 1.00 0.00 O ATOM 0 H GLU A 67 -3.442 -5.131 2.054 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.280 -5.086 1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.859 -3.985 -0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.775 -3.340 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.128 -3.702 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.269 -5.397 -0.111 1.00 0.00 H new ATOM 988 N CYS A 68 -4.680 -7.467 0.316 1.00 0.00 N ATOM 989 CA CYS A 68 -4.840 -8.707 -0.436 1.00 0.00 C ATOM 990 C CYS A 68 -5.963 -9.556 0.150 1.00 0.00 C ATOM 991 O CYS A 68 -6.993 -9.771 -0.489 1.00 0.00 O ATOM 992 CB CYS A 68 -3.532 -9.500 -0.438 1.00 0.00 C ATOM 993 SG CYS A 68 -3.637 -11.095 -1.282 1.00 0.00 S ATOM 0 H CYS A 68 -3.739 -7.311 0.676 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.101 -8.450 -1.463 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.756 -8.900 -0.914 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.219 -9.666 0.593 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.482 -11.689 -1.232 1.00 0.00 H new