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= 0.916 USER MOD Set 1.2: A 37 CYS SG : rot -51:sc= 0.365 USER MOD Set 1.3: A 60 CYS SG : rot -133:sc= 0.29 USER MOD Set 1.4: A 63 CYS SG : rot 105:sc= 0.247 USER MOD Set 2.1: A 19 CYS SG : rot 145:sc= 0.544 USER MOD Set 2.2: A 22 CYS SG : rot -59:sc= 0.045 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -3.2 X(o=-2.5,f=-2.5) USER MOD Set 2.4: A 45 CYS SG : rot 128:sc= 0.147 USER MOD Single : A 16 SER OG : rot -17:sc= 0.326 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0337 K(o=-0.034,f=-1.5!) USER MOD Single : A 23 SER OG : rot -63:sc= 0.786 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -0.0613 (180deg=-0.541) USER MOD Single : A 40 ASN : amide:sc= -2.39 K(o=-2.4,f=-4) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot -100:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 16 10.910 13.278 9.019 1.00 0.00 N ATOM 184 CA SER A 16 11.954 12.547 8.309 1.00 0.00 C ATOM 185 C SER A 16 11.446 11.184 7.849 1.00 0.00 C ATOM 186 O SER A 16 10.298 10.819 8.103 1.00 0.00 O ATOM 187 CB SER A 16 13.181 12.371 9.206 1.00 0.00 C ATOM 188 OG SER A 16 12.801 12.065 10.536 1.00 0.00 O ATOM 0 HA SER A 16 12.235 13.126 7.429 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.812 11.574 8.812 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.777 13.284 9.196 1.00 0.00 H new ATOM 0 HG SER A 16 11.859 12.300 10.669 1.00 0.00 H new ATOM 194 N TYR A 17 12.309 10.436 7.171 1.00 0.00 N ATOM 195 CA TYR A 17 11.949 9.114 6.673 1.00 0.00 C ATOM 196 C TYR A 17 12.890 8.048 7.227 1.00 0.00 C ATOM 197 O TYR A 17 14.069 8.004 6.877 1.00 0.00 O ATOM 198 CB TYR A 17 11.983 9.096 5.144 1.00 0.00 C ATOM 199 CG TYR A 17 11.316 10.295 4.509 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.078 10.742 4.952 1.00 0.00 C ATOM 201 CD2 TYR A 17 11.925 10.982 3.465 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.465 11.837 4.374 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.320 12.078 2.882 1.00 0.00 C ATOM 204 CZ TYR A 17 10.090 12.502 3.340 1.00 0.00 C ATOM 205 OH TYR A 17 9.483 13.593 2.763 1.00 0.00 O ATOM 0 H TYR A 17 13.263 10.723 6.954 1.00 0.00 H new ATOM 0 HA TYR A 17 10.937 8.890 7.010 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.020 9.050 4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.494 8.189 4.789 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.586 10.225 5.762 1.00 0.00 H new ATOM 0 HD2 TYR A 17 12.888 10.653 3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.501 12.170 4.730 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.807 12.600 2.072 1.00 0.00 H new ATOM 0 HH TYR A 17 10.055 13.947 2.050 1.00 0.00 H new ATOM 215 N ILE A 18 12.358 7.191 8.092 1.00 0.00 N ATOM 216 CA ILE A 18 13.148 6.124 8.693 1.00 0.00 C ATOM 217 C ILE A 18 12.625 4.753 8.280 1.00 0.00 C ATOM 218 O ILE A 18 11.423 4.492 8.336 1.00 0.00 O ATOM 219 CB ILE A 18 13.146 6.220 10.230 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.437 7.655 10.674 1.00 0.00 C ATOM 221 CG2 ILE A 18 14.168 5.260 10.822 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.764 8.184 10.178 1.00 0.00 C ATOM 0 H ILE A 18 11.383 7.215 8.392 1.00 0.00 H new ATOM 0 HA ILE A 18 14.169 6.245 8.331 1.00 0.00 H new ATOM 0 HB ILE A 18 12.158 5.940 10.595 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.639 8.306 10.317 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.421 7.700 11.763 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.155 5.339 11.909 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.921 4.239 10.530 1.00 0.00 H new ATOM 0 HG23 ILE A 18 15.162 5.513 10.452 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.903 9.206 10.531 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.570 7.556 10.557 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.776 8.172 9.088 1.00 0.00 H new ATOM 234 N CYS A 19 13.536 3.879 7.866 1.00 0.00 N ATOM 235 CA CYS A 19 13.168 2.532 7.444 1.00 0.00 C ATOM 236 C CYS A 19 12.315 1.844 8.505 1.00 0.00 C ATOM 237 O CYS A 19 12.437 2.131 9.696 1.00 0.00 O ATOM 238 CB CYS A 19 14.422 1.702 7.165 1.00 0.00 C ATOM 239 SG CYS A 19 14.095 0.121 6.320 1.00 0.00 S ATOM 0 H CYS A 19 14.535 4.079 7.814 1.00 0.00 H new ATOM 0 HA CYS A 19 12.583 2.612 6.528 1.00 0.00 H new ATOM 0 HB2 CYS A 19 15.107 2.292 6.556 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.928 1.499 8.109 1.00 0.00 H new ATOM 0 HG CYS A 19 15.073 -0.147 5.507 1.00 0.00 H new ATOM 244 N GLN A 20 11.451 0.935 8.064 1.00 0.00 N ATOM 245 CA GLN A 20 10.578 0.206 8.976 1.00 0.00 C ATOM 246 C GLN A 20 11.083 -1.217 9.194 1.00 0.00 C ATOM 247 O GLN A 20 10.318 -2.109 9.560 1.00 0.00 O ATOM 248 CB GLN A 20 9.149 0.174 8.431 1.00 0.00 C ATOM 249 CG GLN A 20 8.314 1.376 8.843 1.00 0.00 C ATOM 250 CD GLN A 20 7.798 1.269 10.264 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.931 0.228 10.909 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.204 2.347 10.762 1.00 0.00 N ATOM 0 H GLN A 20 11.337 0.686 7.081 1.00 0.00 H new ATOM 0 HA GLN A 20 10.583 0.724 9.935 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.185 0.123 7.343 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.657 -0.735 8.777 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.914 2.281 8.746 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.470 1.478 8.161 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.115 3.189 10.193 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.837 2.333 11.713 1.00 0.00 H new ATOM 261 N VAL A 21 12.377 -1.422 8.965 1.00 0.00 N ATOM 262 CA VAL A 21 12.985 -2.736 9.136 1.00 0.00 C ATOM 263 C VAL A 21 14.300 -2.637 9.901 1.00 0.00 C ATOM 264 O VAL A 21 14.590 -3.462 10.768 1.00 0.00 O ATOM 265 CB VAL A 21 13.243 -3.416 7.779 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.784 -4.823 7.981 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.970 -3.441 6.945 1.00 0.00 C ATOM 0 H VAL A 21 13.024 -0.695 8.661 1.00 0.00 H new ATOM 0 HA VAL A 21 12.280 -3.339 9.708 1.00 0.00 H new ATOM 0 HB VAL A 21 13.993 -2.838 7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.960 -5.288 7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.721 -4.776 8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.059 -5.415 8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.171 -3.925 5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.197 -3.995 7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.629 -2.420 6.770 1.00 0.00 H new ATOM 277 N CYS A 22 15.093 -1.622 9.575 1.00 0.00 N ATOM 278 CA CYS A 22 16.378 -1.414 10.231 1.00 0.00 C ATOM 279 C CYS A 22 16.393 -0.091 10.992 1.00 0.00 C ATOM 280 O CYS A 22 17.285 0.162 11.801 1.00 0.00 O ATOM 281 CB CYS A 22 17.509 -1.434 9.201 1.00 0.00 C ATOM 282 SG CYS A 22 17.430 -0.083 7.983 1.00 0.00 S ATOM 0 H CYS A 22 14.868 -0.930 8.860 1.00 0.00 H new ATOM 0 HA CYS A 22 16.529 -2.225 10.944 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.464 -1.381 9.725 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.488 -2.387 8.672 1.00 0.00 H new ATOM 0 HG CYS A 22 16.307 -0.151 7.332 1.00 0.00 H new ATOM 287 N SER A 23 15.397 0.749 10.727 1.00 0.00 N ATOM 288 CA SER A 23 15.297 2.047 11.383 1.00 0.00 C ATOM 289 C SER A 23 16.541 2.889 11.115 1.00 0.00 C ATOM 290 O SER A 23 17.292 3.216 12.034 1.00 0.00 O ATOM 291 CB SER A 23 15.104 1.867 12.890 1.00 0.00 C ATOM 292 OG SER A 23 15.197 3.108 13.569 1.00 0.00 O ATOM 0 H SER A 23 14.648 0.553 10.063 1.00 0.00 H new ATOM 0 HA SER A 23 14.432 2.568 10.973 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.131 1.415 13.084 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.857 1.180 13.277 1.00 0.00 H new ATOM 0 HG SER A 23 16.099 3.475 13.459 1.00 0.00 H new ATOM 298 N ARG A 24 16.751 3.236 9.850 1.00 0.00 N ATOM 299 CA ARG A 24 17.904 4.038 9.459 1.00 0.00 C ATOM 300 C ARG A 24 17.466 5.278 8.684 1.00 0.00 C ATOM 301 O ARG A 24 16.308 5.397 8.286 1.00 0.00 O ATOM 302 CB ARG A 24 18.867 3.207 8.610 1.00 0.00 C ATOM 303 CG ARG A 24 19.786 2.315 9.428 1.00 0.00 C ATOM 304 CD ARG A 24 20.858 3.124 10.141 1.00 0.00 C ATOM 305 NE ARG A 24 21.769 2.274 10.903 1.00 0.00 N ATOM 306 CZ ARG A 24 21.440 1.682 12.045 1.00 0.00 C ATOM 307 NH1 ARG A 24 20.227 1.845 12.555 1.00 0.00 N ATOM 308 NH2 ARG A 24 22.324 0.924 12.680 1.00 0.00 N ATOM 0 H ARG A 24 16.138 2.974 9.078 1.00 0.00 H new ATOM 0 HA ARG A 24 18.416 4.359 10.366 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.290 2.587 7.923 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.473 3.878 8.002 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.199 1.761 10.161 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.257 1.580 8.775 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.425 3.699 9.409 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.385 3.841 10.812 1.00 0.00 H new ATOM 0 HE ARG A 24 22.710 2.127 10.538 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.544 2.426 12.070 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.977 1.389 13.432 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.258 0.795 12.291 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.070 0.470 13.557 1.00 0.00 H new ATOM 322 N GLY A 25 18.401 6.200 8.475 1.00 0.00 N ATOM 323 CA GLY A 25 18.092 7.418 7.750 1.00 0.00 C ATOM 324 C GLY A 25 19.092 7.706 6.647 1.00 0.00 C ATOM 325 O GLY A 25 18.724 8.190 5.577 1.00 0.00 O ATOM 0 H GLY A 25 19.367 6.125 8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.094 7.338 7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.072 8.256 8.446 1.00 0.00 H new ATOM 329 N ASP A 26 20.360 7.409 6.909 1.00 0.00 N ATOM 330 CA ASP A 26 21.417 7.639 5.930 1.00 0.00 C ATOM 331 C ASP A 26 21.152 6.854 4.649 1.00 0.00 C ATOM 332 O ASP A 26 21.665 7.195 3.585 1.00 0.00 O ATOM 333 CB ASP A 26 22.775 7.246 6.512 1.00 0.00 C ATOM 334 CG ASP A 26 23.304 8.273 7.494 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.370 9.465 7.126 1.00 0.00 O ATOM 336 OD2 ASP A 26 23.653 7.886 8.629 1.00 0.00 O ATOM 0 H ASP A 26 20.681 7.009 7.790 1.00 0.00 H new ATOM 0 HA ASP A 26 21.428 8.702 5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.687 6.281 7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.492 7.121 5.701 1.00 0.00 H new ATOM 341 N GLU A 27 20.347 5.802 4.762 1.00 0.00 N ATOM 342 CA GLU A 27 20.016 4.968 3.613 1.00 0.00 C ATOM 343 C GLU A 27 18.815 5.531 2.860 1.00 0.00 C ATOM 344 O GLU A 27 18.379 4.969 1.855 1.00 0.00 O ATOM 345 CB GLU A 27 19.724 3.534 4.062 1.00 0.00 C ATOM 346 CG GLU A 27 20.973 2.692 4.260 1.00 0.00 C ATOM 347 CD GLU A 27 21.701 2.413 2.959 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.044 2.425 1.897 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.928 2.184 3.004 1.00 0.00 O ATOM 0 H GLU A 27 19.913 5.508 5.637 1.00 0.00 H new ATOM 0 HA GLU A 27 20.874 4.963 2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.163 3.562 4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.086 3.053 3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.647 3.204 4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.699 1.747 4.729 1.00 0.00 H new ATOM 356 N ASP A 28 18.284 6.644 3.353 1.00 0.00 N ATOM 357 CA ASP A 28 17.133 7.285 2.727 1.00 0.00 C ATOM 358 C ASP A 28 17.361 7.469 1.230 1.00 0.00 C ATOM 359 O ASP A 28 16.411 7.512 0.448 1.00 0.00 O ATOM 360 CB ASP A 28 16.857 8.639 3.384 1.00 0.00 C ATOM 361 CG ASP A 28 17.970 9.639 3.140 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.151 9.247 3.241 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.660 10.813 2.850 1.00 0.00 O ATOM 0 H ASP A 28 18.632 7.122 4.184 1.00 0.00 H new ATOM 0 HA ASP A 28 16.267 6.638 2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.920 9.042 2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.727 8.499 4.457 1.00 0.00 H new ATOM 368 N ASP A 29 18.626 7.579 0.839 1.00 0.00 N ATOM 369 CA ASP A 29 18.979 7.759 -0.565 1.00 0.00 C ATOM 370 C ASP A 29 18.307 6.700 -1.434 1.00 0.00 C ATOM 371 O ASP A 29 18.029 6.932 -2.611 1.00 0.00 O ATOM 372 CB ASP A 29 20.497 7.695 -0.743 1.00 0.00 C ATOM 373 CG ASP A 29 20.982 8.563 -1.887 1.00 0.00 C ATOM 374 OD1 ASP A 29 20.225 8.734 -2.866 1.00 0.00 O ATOM 375 OD2 ASP A 29 22.119 9.073 -1.804 1.00 0.00 O ATOM 0 H ASP A 29 19.424 7.547 1.474 1.00 0.00 H new ATOM 0 HA ASP A 29 18.625 8.740 -0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.982 8.011 0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.796 6.662 -0.922 1.00 0.00 H new ATOM 380 N LYS A 30 18.050 5.536 -0.847 1.00 0.00 N ATOM 381 CA LYS A 30 17.411 4.441 -1.566 1.00 0.00 C ATOM 382 C LYS A 30 16.144 3.985 -0.850 1.00 0.00 C ATOM 383 O LYS A 30 15.782 2.809 -0.895 1.00 0.00 O ATOM 384 CB LYS A 30 18.379 3.265 -1.710 1.00 0.00 C ATOM 385 CG LYS A 30 19.426 3.467 -2.791 1.00 0.00 C ATOM 386 CD LYS A 30 20.400 2.302 -2.850 1.00 0.00 C ATOM 387 CE LYS A 30 20.626 1.837 -4.281 1.00 0.00 C ATOM 388 NZ LYS A 30 20.984 2.967 -5.182 1.00 0.00 N ATOM 0 H LYS A 30 18.275 5.327 0.126 1.00 0.00 H new ATOM 0 HA LYS A 30 17.137 4.802 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.881 3.100 -0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.810 2.362 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.935 3.581 -3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 30 19.973 4.390 -2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.351 2.599 -2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.016 1.474 -2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.422 1.092 -4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.724 1.349 -4.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.540 2.608 -5.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.116 3.418 -5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.547 3.666 -4.656 1.00 0.00 H new ATOM 402 N LEU A 31 15.473 4.923 -0.190 1.00 0.00 N ATOM 403 CA LEU A 31 14.244 4.619 0.535 1.00 0.00 C ATOM 404 C LEU A 31 13.032 4.705 -0.387 1.00 0.00 C ATOM 405 O LEU A 31 12.929 5.614 -1.211 1.00 0.00 O ATOM 406 CB LEU A 31 14.072 5.579 1.713 1.00 0.00 C ATOM 407 CG LEU A 31 14.299 4.984 3.103 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.111 6.045 4.175 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.359 3.811 3.340 1.00 0.00 C ATOM 0 H LEU A 31 15.760 5.901 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 31 14.318 3.599 0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.761 6.413 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.063 5.990 1.676 1.00 0.00 H new ATOM 0 HG LEU A 31 15.325 4.619 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.277 5.603 5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.825 6.853 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.097 6.441 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.534 3.399 4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.326 4.151 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.542 3.041 2.591 1.00 0.00 H new ATOM 421 N LEU A 32 12.116 3.753 -0.242 1.00 0.00 N ATOM 422 CA LEU A 32 10.909 3.722 -1.060 1.00 0.00 C ATOM 423 C LEU A 32 9.724 4.316 -0.305 1.00 0.00 C ATOM 424 O LEU A 32 9.711 4.347 0.926 1.00 0.00 O ATOM 425 CB LEU A 32 10.592 2.287 -1.482 1.00 0.00 C ATOM 426 CG LEU A 32 11.457 1.710 -2.603 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.869 1.445 -2.106 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.835 0.435 -3.155 1.00 0.00 C ATOM 0 H LEU A 32 12.187 2.993 0.434 1.00 0.00 H new ATOM 0 HA LEU A 32 11.088 4.325 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.688 1.643 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.549 2.244 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 32 11.510 2.443 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.469 1.035 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.314 2.378 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.837 0.732 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.464 0.039 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.751 -0.303 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.844 0.656 -3.551 1.00 0.00 H new ATOM 440 N PHE A 33 8.728 4.784 -1.050 1.00 0.00 N ATOM 441 CA PHE A 33 7.538 5.375 -0.451 1.00 0.00 C ATOM 442 C PHE A 33 6.286 4.599 -0.849 1.00 0.00 C ATOM 443 O PHE A 33 6.048 4.345 -2.030 1.00 0.00 O ATOM 444 CB PHE A 33 7.400 6.839 -0.876 1.00 0.00 C ATOM 445 CG PHE A 33 8.679 7.619 -0.762 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.317 7.753 0.460 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.242 8.217 -1.877 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.493 8.471 0.568 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.419 8.936 -1.776 1.00 0.00 C ATOM 450 CZ PHE A 33 11.045 9.062 -0.552 1.00 0.00 C ATOM 0 H PHE A 33 8.722 4.765 -2.070 1.00 0.00 H new ATOM 0 HA PHE A 33 7.646 5.327 0.633 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.050 6.878 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.636 7.317 -0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.891 7.291 1.338 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.756 8.121 -2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.980 8.570 1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.848 9.398 -2.653 1.00 0.00 H new ATOM 0 HZ PHE A 33 11.965 9.622 -0.470 1.00 0.00 H new ATOM 460 N CYS A 34 5.488 4.224 0.146 1.00 0.00 N ATOM 461 CA CYS A 34 4.261 3.475 -0.098 1.00 0.00 C ATOM 462 C CYS A 34 3.119 4.413 -0.478 1.00 0.00 C ATOM 463 O CYS A 34 2.966 5.488 0.101 1.00 0.00 O ATOM 464 CB CYS A 34 3.879 2.665 1.142 1.00 0.00 C ATOM 465 SG CYS A 34 2.243 1.871 1.037 1.00 0.00 S ATOM 0 H CYS A 34 5.670 4.427 1.129 1.00 0.00 H new ATOM 0 HA CYS A 34 4.440 2.792 -0.929 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.634 1.896 1.307 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.897 3.322 2.012 1.00 0.00 H new ATOM 0 HG CYS A 34 2.254 0.762 1.716 1.00 0.00 H new ATOM 470 N ASP A 35 2.320 3.997 -1.454 1.00 0.00 N ATOM 471 CA ASP A 35 1.190 4.798 -1.911 1.00 0.00 C ATOM 472 C ASP A 35 -0.077 4.438 -1.142 1.00 0.00 C ATOM 473 O ASP A 35 -1.143 4.259 -1.731 1.00 0.00 O ATOM 474 CB ASP A 35 0.967 4.594 -3.411 1.00 0.00 C ATOM 475 CG ASP A 35 -0.074 5.542 -3.975 1.00 0.00 C ATOM 476 OD1 ASP A 35 -0.354 6.570 -3.324 1.00 0.00 O ATOM 477 OD2 ASP A 35 -0.608 5.255 -5.067 1.00 0.00 O ATOM 0 H ASP A 35 2.434 3.110 -1.944 1.00 0.00 H new ATOM 0 HA ASP A 35 1.420 5.847 -1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.910 4.738 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.654 3.566 -3.593 1.00 0.00 H new ATOM 482 N GLY A 36 0.047 4.333 0.178 1.00 0.00 N ATOM 483 CA GLY A 36 -1.096 3.994 1.005 1.00 0.00 C ATOM 484 C GLY A 36 -0.910 4.413 2.450 1.00 0.00 C ATOM 485 O GLY A 36 -1.851 4.875 3.097 1.00 0.00 O ATOM 0 H GLY A 36 0.918 4.477 0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.987 4.475 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.266 2.918 0.961 1.00 0.00 H new ATOM 489 N CYS A 37 0.306 4.250 2.960 1.00 0.00 N ATOM 490 CA CYS A 37 0.614 4.612 4.338 1.00 0.00 C ATOM 491 C CYS A 37 1.799 5.572 4.397 1.00 0.00 C ATOM 492 O CYS A 37 2.185 6.032 5.472 1.00 0.00 O ATOM 493 CB CYS A 37 0.917 3.359 5.161 1.00 0.00 C ATOM 494 SG CYS A 37 2.412 2.464 4.630 1.00 0.00 S ATOM 0 H CYS A 37 1.095 3.869 2.438 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.258 5.113 4.759 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.029 3.643 6.207 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.063 2.684 5.103 1.00 0.00 H new ATOM 0 HG CYS A 37 2.357 2.248 3.349 1.00 0.00 H new ATOM 499 N ASP A 38 2.370 5.869 3.235 1.00 0.00 N ATOM 500 CA ASP A 38 3.510 6.775 3.154 1.00 0.00 C ATOM 501 C ASP A 38 4.611 6.352 4.122 1.00 0.00 C ATOM 502 O ASP A 38 5.033 7.131 4.976 1.00 0.00 O ATOM 503 CB ASP A 38 3.072 8.209 3.456 1.00 0.00 C ATOM 504 CG ASP A 38 4.124 9.229 3.068 1.00 0.00 C ATOM 505 OD1 ASP A 38 5.262 8.820 2.757 1.00 0.00 O ATOM 506 OD2 ASP A 38 3.809 10.438 3.075 1.00 0.00 O ATOM 0 H ASP A 38 2.063 5.496 2.337 1.00 0.00 H new ATOM 0 HA ASP A 38 3.906 6.730 2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.147 8.424 2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.854 8.303 4.520 1.00 0.00 H new ATOM 511 N ASP A 39 5.070 5.113 3.982 1.00 0.00 N ATOM 512 CA ASP A 39 6.121 4.585 4.844 1.00 0.00 C ATOM 513 C ASP A 39 7.469 4.602 4.130 1.00 0.00 C ATOM 514 O ASP A 39 7.567 5.027 2.980 1.00 0.00 O ATOM 515 CB ASP A 39 5.782 3.161 5.286 1.00 0.00 C ATOM 516 CG ASP A 39 4.988 3.128 6.577 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.418 4.175 6.949 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.939 2.057 7.217 1.00 0.00 O ATOM 0 H ASP A 39 4.731 4.456 3.280 1.00 0.00 H new ATOM 0 HA ASP A 39 6.188 5.223 5.725 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.212 2.666 4.500 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.704 2.595 5.416 1.00 0.00 H new ATOM 523 N ASN A 40 8.505 4.137 4.820 1.00 0.00 N ATOM 524 CA ASN A 40 9.848 4.101 4.252 1.00 0.00 C ATOM 525 C ASN A 40 10.423 2.689 4.307 1.00 0.00 C ATOM 526 O ASN A 40 10.533 2.093 5.378 1.00 0.00 O ATOM 527 CB ASN A 40 10.767 5.067 5.001 1.00 0.00 C ATOM 528 CG ASN A 40 10.032 6.297 5.499 1.00 0.00 C ATOM 529 OD1 ASN A 40 10.067 6.616 6.687 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.361 6.993 4.589 1.00 0.00 N ATOM 0 H ASN A 40 8.441 3.780 5.773 1.00 0.00 H new ATOM 0 HA ASN A 40 9.783 4.408 3.208 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.220 4.551 5.847 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.580 5.375 4.343 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.847 7.830 4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.360 6.691 3.615 1.00 0.00 H new ATOM 537 N TYR A 41 10.789 2.160 3.144 1.00 0.00 N ATOM 538 CA TYR A 41 11.351 0.817 3.059 1.00 0.00 C ATOM 539 C TYR A 41 12.513 0.775 2.071 1.00 0.00 C ATOM 540 O TYR A 41 12.423 1.311 0.965 1.00 0.00 O ATOM 541 CB TYR A 41 10.273 -0.184 2.638 1.00 0.00 C ATOM 542 CG TYR A 41 9.247 -0.456 3.714 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.454 -1.449 4.664 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.069 0.279 3.780 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.518 -1.701 5.648 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.129 0.034 4.762 1.00 0.00 C ATOM 547 CZ TYR A 41 7.358 -0.957 5.694 1.00 0.00 C ATOM 548 OH TYR A 41 6.423 -1.205 6.672 1.00 0.00 O ATOM 0 H TYR A 41 10.707 2.640 2.248 1.00 0.00 H new ATOM 0 HA TYR A 41 11.726 0.544 4.045 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.765 0.193 1.750 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.750 -1.123 2.357 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.362 -2.033 4.632 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.886 1.055 3.051 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.694 -2.477 6.378 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.220 0.615 4.800 1.00 0.00 H new ATOM 0 HH TYR A 41 5.666 -0.593 6.563 1.00 0.00 H new ATOM 558 N HIS A 42 13.604 0.135 2.478 1.00 0.00 N ATOM 559 CA HIS A 42 14.785 0.021 1.630 1.00 0.00 C ATOM 560 C HIS A 42 14.598 -1.072 0.582 1.00 0.00 C ATOM 561 O HIS A 42 13.524 -1.664 0.474 1.00 0.00 O ATOM 562 CB HIS A 42 16.022 -0.276 2.478 1.00 0.00 C ATOM 563 CG HIS A 42 16.402 0.845 3.396 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.080 0.651 4.581 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.197 2.179 3.296 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.273 1.817 5.171 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.747 2.761 4.412 1.00 0.00 N ATOM 0 H HIS A 42 13.695 -0.313 3.390 1.00 0.00 H new ATOM 0 HA HIS A 42 14.926 0.972 1.117 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.840 -1.173 3.070 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.861 -0.494 1.818 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.694 2.691 2.489 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.776 1.972 6.114 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.749 3.759 4.620 1.00 0.00 H new ATOM 575 N ILE A 43 15.650 -1.334 -0.187 1.00 0.00 N ATOM 576 CA ILE A 43 15.600 -2.355 -1.225 1.00 0.00 C ATOM 577 C ILE A 43 16.334 -3.619 -0.789 1.00 0.00 C ATOM 578 O ILE A 43 16.291 -4.642 -1.472 1.00 0.00 O ATOM 579 CB ILE A 43 16.215 -1.849 -2.544 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.605 -1.261 -2.291 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.306 -0.813 -3.188 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.510 -1.308 -3.502 1.00 0.00 C ATOM 0 H ILE A 43 16.546 -0.853 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 43 14.547 -2.586 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 43 16.316 -2.692 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.499 -0.226 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.077 -1.805 -1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 43 15.754 -0.465 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.335 -1.261 -3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.177 0.030 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.478 -0.875 -3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.646 -2.343 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.059 -0.740 -4.316 1.00 0.00 H new ATOM 594 N PHE A 44 17.005 -3.541 0.356 1.00 0.00 N ATOM 595 CA PHE A 44 17.748 -4.679 0.885 1.00 0.00 C ATOM 596 C PHE A 44 17.203 -5.097 2.248 1.00 0.00 C ATOM 597 O PHE A 44 17.832 -5.872 2.970 1.00 0.00 O ATOM 598 CB PHE A 44 19.234 -4.336 1.001 1.00 0.00 C ATOM 599 CG PHE A 44 19.494 -2.999 1.634 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.564 -2.873 3.012 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.668 -1.869 0.851 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.802 -1.643 3.597 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.907 -0.637 1.431 1.00 0.00 C ATOM 604 CZ PHE A 44 19.975 -0.525 2.806 1.00 0.00 C ATOM 0 H PHE A 44 17.049 -2.702 0.935 1.00 0.00 H new ATOM 0 HA PHE A 44 17.628 -5.513 0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.732 -5.109 1.586 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.681 -4.351 0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.431 -3.745 3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.616 -1.952 -0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.853 -1.557 4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.040 0.236 0.810 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.163 0.436 3.262 1.00 0.00 H new ATOM 614 N CYS A 45 16.030 -4.577 2.595 1.00 0.00 N ATOM 615 CA CYS A 45 15.400 -4.893 3.871 1.00 0.00 C ATOM 616 C CYS A 45 14.152 -5.746 3.664 1.00 0.00 C ATOM 617 O CYS A 45 13.726 -6.472 4.563 1.00 0.00 O ATOM 618 CB CYS A 45 15.036 -3.608 4.616 1.00 0.00 C ATOM 619 SG CYS A 45 16.448 -2.795 5.431 1.00 0.00 S ATOM 0 H CYS A 45 15.496 -3.934 2.009 1.00 0.00 H new ATOM 0 HA CYS A 45 16.112 -5.462 4.469 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.584 -2.909 3.913 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.280 -3.838 5.367 1.00 0.00 H new ATOM 0 HG CYS A 45 16.501 -1.549 5.066 1.00 0.00 H new ATOM 624 N LEU A 46 13.569 -5.653 2.474 1.00 0.00 N ATOM 625 CA LEU A 46 12.369 -6.415 2.148 1.00 0.00 C ATOM 626 C LEU A 46 12.686 -7.902 2.022 1.00 0.00 C ATOM 627 O LEU A 46 13.779 -8.347 2.375 1.00 0.00 O ATOM 628 CB LEU A 46 11.753 -5.902 0.845 1.00 0.00 C ATOM 629 CG LEU A 46 11.636 -4.383 0.711 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.407 -3.992 -0.741 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.512 -3.855 1.591 1.00 0.00 C ATOM 0 H LEU A 46 13.908 -5.057 1.719 1.00 0.00 H new ATOM 0 HA LEU A 46 11.653 -6.282 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.350 -6.275 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.757 -6.334 0.742 1.00 0.00 H new ATOM 0 HG LEU A 46 12.572 -3.935 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.326 -2.908 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.245 -4.337 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.486 -4.451 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.443 -2.773 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.569 -4.310 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.718 -4.103 2.632 1.00 0.00 H new ATOM 643 N LEU A 47 11.724 -8.666 1.516 1.00 0.00 N ATOM 644 CA LEU A 47 11.901 -10.104 1.341 1.00 0.00 C ATOM 645 C LEU A 47 10.754 -10.699 0.531 1.00 0.00 C ATOM 646 O LEU A 47 9.636 -10.864 1.021 1.00 0.00 O ATOM 647 CB LEU A 47 11.992 -10.795 2.703 1.00 0.00 C ATOM 648 CG LEU A 47 13.015 -11.926 2.813 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.558 -12.018 4.231 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.394 -13.250 2.392 1.00 0.00 C ATOM 0 H LEU A 47 10.814 -8.314 1.220 1.00 0.00 H new ATOM 0 HA LEU A 47 12.830 -10.268 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.229 -10.042 3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.009 -11.195 2.952 1.00 0.00 H new ATOM 0 HG LEU A 47 13.844 -11.706 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.285 -12.828 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.040 -11.078 4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.738 -12.214 4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.137 -14.043 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.546 -13.476 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.054 -13.180 1.359 1.00 0.00 H new ATOM 662 N PRO A 48 11.035 -11.031 -0.737 1.00 0.00 N ATOM 663 CA PRO A 48 12.361 -10.838 -1.331 1.00 0.00 C ATOM 664 C PRO A 48 12.694 -9.365 -1.540 1.00 0.00 C ATOM 665 O PRO A 48 11.819 -8.536 -1.791 1.00 0.00 O ATOM 666 CB PRO A 48 12.255 -11.559 -2.678 1.00 0.00 C ATOM 667 CG PRO A 48 10.802 -11.536 -3.006 1.00 0.00 C ATOM 668 CD PRO A 48 10.079 -11.620 -1.690 1.00 0.00 C ATOM 0 HA PRO A 48 13.155 -11.220 -0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.842 -11.054 -3.445 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.630 -12.580 -2.611 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.537 -10.623 -3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.535 -12.372 -3.652 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.140 -11.067 -1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.836 -12.650 -1.430 1.00 0.00 H new ATOM 676 N PRO A 49 13.988 -9.029 -1.434 1.00 0.00 N ATOM 677 CA PRO A 49 14.466 -7.655 -1.609 1.00 0.00 C ATOM 678 C PRO A 49 14.361 -7.184 -3.056 1.00 0.00 C ATOM 679 O PRO A 49 14.087 -7.976 -3.959 1.00 0.00 O ATOM 680 CB PRO A 49 15.933 -7.731 -1.177 1.00 0.00 C ATOM 681 CG PRO A 49 16.321 -9.152 -1.403 1.00 0.00 C ATOM 682 CD PRO A 49 15.085 -9.966 -1.136 1.00 0.00 C ATOM 0 HA PRO A 49 13.875 -6.942 -1.034 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.554 -7.053 -1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.053 -7.449 -0.131 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.675 -9.303 -2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.133 -9.445 -0.738 1.00 0.00 H new ATOM 0 HD2 PRO A 49 15.042 -10.851 -1.771 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.048 -10.313 -0.103 1.00 0.00 H new ATOM 690 N LEU A 50 14.581 -5.892 -3.270 1.00 0.00 N ATOM 691 CA LEU A 50 14.512 -5.315 -4.608 1.00 0.00 C ATOM 692 C LEU A 50 15.892 -4.870 -5.082 1.00 0.00 C ATOM 693 O LEU A 50 16.808 -4.653 -4.288 1.00 0.00 O ATOM 694 CB LEU A 50 13.548 -4.128 -4.624 1.00 0.00 C ATOM 695 CG LEU A 50 12.061 -4.472 -4.722 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.211 -3.223 -4.550 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.756 -5.147 -6.051 1.00 0.00 C ATOM 0 H LEU A 50 14.809 -5.224 -2.534 1.00 0.00 H new ATOM 0 HA LEU A 50 14.145 -6.083 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.706 -3.545 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.808 -3.486 -5.465 1.00 0.00 H new ATOM 0 HG LEU A 50 11.816 -5.167 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.156 -3.488 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.408 -2.781 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.459 -2.504 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.693 -5.385 -6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.018 -4.476 -6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.338 -6.065 -6.135 1.00 0.00 H new ATOM 709 N PRO A 51 16.046 -4.729 -6.406 1.00 0.00 N ATOM 710 CA PRO A 51 17.311 -4.306 -7.016 1.00 0.00 C ATOM 711 C PRO A 51 17.635 -2.845 -6.723 1.00 0.00 C ATOM 712 O PRO A 51 18.773 -2.504 -6.404 1.00 0.00 O ATOM 713 CB PRO A 51 17.069 -4.511 -8.513 1.00 0.00 C ATOM 714 CG PRO A 51 15.592 -4.412 -8.675 1.00 0.00 C ATOM 715 CD PRO A 51 14.998 -4.971 -7.412 1.00 0.00 C ATOM 0 HA PRO A 51 18.160 -4.869 -6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.584 -3.754 -9.105 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.439 -5.481 -8.845 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.285 -3.377 -8.826 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.256 -4.975 -9.546 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.066 -4.470 -7.150 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.772 -6.033 -7.510 1.00 0.00 H new ATOM 723 N GLU A 52 16.626 -1.986 -6.834 1.00 0.00 N ATOM 724 CA GLU A 52 16.805 -0.561 -6.582 1.00 0.00 C ATOM 725 C GLU A 52 15.463 0.165 -6.583 1.00 0.00 C ATOM 726 O GLU A 52 14.412 -0.453 -6.756 1.00 0.00 O ATOM 727 CB GLU A 52 17.731 0.053 -7.635 1.00 0.00 C ATOM 728 CG GLU A 52 17.168 -0.001 -9.045 1.00 0.00 C ATOM 729 CD GLU A 52 18.187 -0.481 -10.061 1.00 0.00 C ATOM 730 OE1 GLU A 52 18.564 -1.670 -10.008 1.00 0.00 O ATOM 731 OE2 GLU A 52 18.606 0.333 -10.910 1.00 0.00 O ATOM 0 H GLU A 52 15.677 -2.252 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 52 17.259 -0.446 -5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.929 1.092 -7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.688 -0.469 -7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.303 -0.664 -9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.815 0.990 -9.330 1.00 0.00 H new ATOM 738 N ILE A 53 15.507 1.478 -6.387 1.00 0.00 N ATOM 739 CA ILE A 53 14.296 2.288 -6.366 1.00 0.00 C ATOM 740 C ILE A 53 13.440 2.030 -7.602 1.00 0.00 C ATOM 741 O ILE A 53 13.922 2.038 -8.734 1.00 0.00 O ATOM 742 CB ILE A 53 14.625 3.791 -6.288 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.074 4.165 -4.874 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.418 4.619 -6.703 1.00 0.00 C ATOM 745 CD1 ILE A 53 13.963 4.096 -3.849 1.00 0.00 C ATOM 0 H ILE A 53 16.369 2.004 -6.240 1.00 0.00 H new ATOM 0 HA ILE A 53 13.739 1.999 -5.475 1.00 0.00 H new ATOM 0 HB ILE A 53 15.443 4.005 -6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.880 3.498 -4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.483 5.175 -4.887 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.666 5.679 -6.643 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.140 4.369 -7.727 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.582 4.403 -6.037 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.353 4.374 -2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.165 4.784 -4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.569 3.081 -3.808 1.00 0.00 H new ATOM 757 N PRO A 54 12.138 1.796 -7.381 1.00 0.00 N ATOM 758 CA PRO A 54 11.186 1.533 -8.464 1.00 0.00 C ATOM 759 C PRO A 54 10.920 2.770 -9.315 1.00 0.00 C ATOM 760 O PRO A 54 11.370 3.869 -8.988 1.00 0.00 O ATOM 761 CB PRO A 54 9.915 1.110 -7.724 1.00 0.00 C ATOM 762 CG PRO A 54 10.027 1.749 -6.383 1.00 0.00 C ATOM 763 CD PRO A 54 11.494 1.771 -6.057 1.00 0.00 C ATOM 0 HA PRO A 54 11.559 0.783 -9.161 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.021 1.446 -8.249 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.848 0.025 -7.641 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.615 2.758 -6.396 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.469 1.186 -5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.761 2.646 -5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.791 0.894 -5.482 1.00 0.00 H new ATOM 771 N ARG A 55 10.188 2.585 -10.409 1.00 0.00 N ATOM 772 CA ARG A 55 9.863 3.686 -11.307 1.00 0.00 C ATOM 773 C ARG A 55 8.493 4.271 -10.977 1.00 0.00 C ATOM 774 O ARG A 55 8.392 5.352 -10.398 1.00 0.00 O ATOM 775 CB ARG A 55 9.890 3.211 -12.761 1.00 0.00 C ATOM 776 CG ARG A 55 11.220 3.449 -13.456 1.00 0.00 C ATOM 777 CD ARG A 55 11.026 3.835 -14.914 1.00 0.00 C ATOM 778 NE ARG A 55 12.217 3.564 -15.715 1.00 0.00 N ATOM 779 CZ ARG A 55 12.217 3.531 -17.043 1.00 0.00 C ATOM 780 NH1 ARG A 55 11.096 3.752 -17.715 1.00 0.00 N ATOM 781 NH2 ARG A 55 13.341 3.278 -17.701 1.00 0.00 N ATOM 0 H ARG A 55 9.809 1.682 -10.695 1.00 0.00 H new ATOM 0 HA ARG A 55 10.613 4.465 -11.172 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.660 2.146 -12.790 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.103 3.722 -13.316 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.766 4.238 -12.939 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.830 2.548 -13.395 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.180 3.285 -15.325 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.779 4.895 -14.979 1.00 0.00 H new ATOM 0 HE ARG A 55 13.096 3.391 -15.228 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.230 3.948 -17.212 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.099 3.726 -18.735 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.206 3.109 -17.187 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.340 3.253 -18.721 1.00 0.00 H new ATOM 795 N GLY A 56 7.441 3.549 -11.350 1.00 0.00 N ATOM 796 CA GLY A 56 6.092 4.013 -11.086 1.00 0.00 C ATOM 797 C GLY A 56 5.759 4.016 -9.607 1.00 0.00 C ATOM 798 O GLY A 56 6.628 4.256 -8.769 1.00 0.00 O ATOM 0 H GLY A 56 7.499 2.651 -11.830 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.973 5.021 -11.484 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.382 3.376 -11.614 1.00 0.00 H new ATOM 802 N ILE A 57 4.497 3.750 -9.286 1.00 0.00 N ATOM 803 CA ILE A 57 4.052 3.723 -7.898 1.00 0.00 C ATOM 804 C ILE A 57 4.443 2.414 -7.221 1.00 0.00 C ATOM 805 O ILE A 57 4.201 1.331 -7.753 1.00 0.00 O ATOM 806 CB ILE A 57 2.526 3.907 -7.793 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.110 5.253 -8.389 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.079 3.803 -6.342 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.611 5.436 -8.479 1.00 0.00 C ATOM 0 H ILE A 57 3.765 3.550 -9.968 1.00 0.00 H new ATOM 0 HA ILE A 57 4.546 4.552 -7.392 1.00 0.00 H new ATOM 0 HB ILE A 57 2.039 3.114 -8.361 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.530 6.055 -7.782 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.540 5.348 -9.386 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.999 3.935 -6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.346 2.822 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.571 4.577 -5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.389 6.412 -8.911 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.186 4.655 -9.110 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.176 5.373 -7.481 1.00 0.00 H new ATOM 821 N TRP A 58 5.047 2.522 -6.043 1.00 0.00 N ATOM 822 CA TRP A 58 5.471 1.346 -5.291 1.00 0.00 C ATOM 823 C TRP A 58 4.736 1.259 -3.958 1.00 0.00 C ATOM 824 O TRP A 58 4.528 2.270 -3.286 1.00 0.00 O ATOM 825 CB TRP A 58 6.981 1.384 -5.053 1.00 0.00 C ATOM 826 CG TRP A 58 7.479 0.247 -4.213 1.00 0.00 C ATOM 827 CD1 TRP A 58 7.980 -0.943 -4.658 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.522 0.193 -2.783 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.331 -1.734 -3.591 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.061 -1.060 -2.430 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.159 1.081 -1.767 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.244 -1.444 -1.104 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.341 0.698 -0.452 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.880 -0.555 -0.129 1.00 0.00 C ATOM 0 H TRP A 58 5.254 3.411 -5.588 1.00 0.00 H new ATOM 0 HA TRP A 58 5.226 0.462 -5.879 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.494 1.367 -6.015 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.242 2.325 -4.569 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.085 -1.221 -5.696 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.728 -2.671 -3.653 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.744 2.049 -2.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.659 -2.409 -0.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.063 1.376 0.341 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.011 -0.824 0.909 1.00 0.00 H new ATOM 845 N ARG A 59 4.345 0.046 -3.580 1.00 0.00 N ATOM 846 CA ARG A 59 3.632 -0.171 -2.327 1.00 0.00 C ATOM 847 C ARG A 59 4.436 -1.072 -1.394 1.00 0.00 C ATOM 848 O ARG A 59 5.331 -1.797 -1.831 1.00 0.00 O ATOM 849 CB ARG A 59 2.261 -0.793 -2.597 1.00 0.00 C ATOM 850 CG ARG A 59 1.105 0.173 -2.398 1.00 0.00 C ATOM 851 CD ARG A 59 -0.129 -0.537 -1.865 1.00 0.00 C ATOM 852 NE ARG A 59 -1.241 -0.489 -2.811 1.00 0.00 N ATOM 853 CZ ARG A 59 -2.372 -1.166 -2.651 1.00 0.00 C ATOM 854 NH1 ARG A 59 -2.541 -1.940 -1.587 1.00 0.00 N ATOM 855 NH2 ARG A 59 -3.338 -1.070 -3.556 1.00 0.00 N ATOM 0 H ARG A 59 4.510 -0.801 -4.124 1.00 0.00 H new ATOM 0 HA ARG A 59 3.496 0.796 -1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.237 -1.169 -3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.124 -1.651 -1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.402 0.959 -1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.867 0.657 -3.345 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.117 -1.576 -1.647 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.433 -0.078 -0.925 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.143 0.097 -3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.801 -2.016 -0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.411 -2.459 -1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.212 -0.476 -4.375 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.206 -1.590 -3.432 1.00 0.00 H new ATOM 869 N CYS A 60 4.112 -1.021 -0.106 1.00 0.00 N ATOM 870 CA CYS A 60 4.804 -1.830 0.890 1.00 0.00 C ATOM 871 C CYS A 60 4.047 -3.128 1.156 1.00 0.00 C ATOM 872 O CYS A 60 2.849 -3.242 0.896 1.00 0.00 O ATOM 873 CB CYS A 60 4.965 -1.045 2.193 1.00 0.00 C ATOM 874 SG CYS A 60 3.453 -0.965 3.205 1.00 0.00 S ATOM 0 H CYS A 60 3.374 -0.427 0.272 1.00 0.00 H new ATOM 0 HA CYS A 60 5.791 -2.078 0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.760 -1.500 2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.285 -0.030 1.956 1.00 0.00 H new ATOM 0 HG CYS A 60 3.259 0.259 3.599 1.00 0.00 H new ATOM 879 N PRO A 61 4.762 -4.132 1.687 1.00 0.00 N ATOM 880 CA PRO A 61 4.179 -5.439 2.001 1.00 0.00 C ATOM 881 C PRO A 61 3.211 -5.375 3.178 1.00 0.00 C ATOM 882 O PRO A 61 2.316 -6.211 3.306 1.00 0.00 O ATOM 883 CB PRO A 61 5.397 -6.295 2.357 1.00 0.00 C ATOM 884 CG PRO A 61 6.422 -5.319 2.822 1.00 0.00 C ATOM 885 CD PRO A 61 6.194 -4.066 2.022 1.00 0.00 C ATOM 0 HA PRO A 61 3.592 -5.833 1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.158 -7.019 3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.750 -6.859 1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.320 -5.124 3.890 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.429 -5.705 2.664 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.431 -3.172 2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.816 -4.042 1.127 1.00 0.00 H new ATOM 893 N LYS A 62 3.396 -4.377 4.036 1.00 0.00 N ATOM 894 CA LYS A 62 2.538 -4.202 5.202 1.00 0.00 C ATOM 895 C LYS A 62 1.142 -3.748 4.788 1.00 0.00 C ATOM 896 O LYS A 62 0.186 -3.870 5.554 1.00 0.00 O ATOM 897 CB LYS A 62 3.153 -3.182 6.164 1.00 0.00 C ATOM 898 CG LYS A 62 3.985 -3.812 7.267 1.00 0.00 C ATOM 899 CD LYS A 62 3.118 -4.262 8.431 1.00 0.00 C ATOM 900 CE LYS A 62 3.727 -3.863 9.767 1.00 0.00 C ATOM 901 NZ LYS A 62 2.958 -2.770 10.423 1.00 0.00 N ATOM 0 H LYS A 62 4.133 -3.677 3.946 1.00 0.00 H new ATOM 0 HA LYS A 62 2.453 -5.164 5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.778 -2.492 5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.355 -2.592 6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.533 -4.666 6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.726 -3.095 7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.125 -3.823 8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.993 -5.344 8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.758 -4.731 10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.757 -3.541 9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.405 -2.527 11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.950 -1.933 9.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.981 -3.085 10.592 1.00 0.00 H new ATOM 915 N CYS A 63 1.031 -3.227 3.570 1.00 0.00 N ATOM 916 CA CYS A 63 -0.248 -2.757 3.053 1.00 0.00 C ATOM 917 C CYS A 63 -0.838 -3.760 2.066 1.00 0.00 C ATOM 918 O CYS A 63 -2.039 -4.031 2.084 1.00 0.00 O ATOM 919 CB CYS A 63 -0.078 -1.396 2.374 1.00 0.00 C ATOM 920 SG CYS A 63 -0.040 0.012 3.529 1.00 0.00 S ATOM 0 H CYS A 63 1.812 -3.120 2.923 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.935 -2.654 3.893 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.846 -1.403 1.796 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.895 -1.250 1.667 1.00 0.00 H new ATOM 0 HG CYS A 63 1.182 0.439 3.652 1.00 0.00 H new ATOM 925 N ILE A 64 0.015 -4.307 1.206 1.00 0.00 N ATOM 926 CA ILE A 64 -0.421 -5.281 0.213 1.00 0.00 C ATOM 927 C ILE A 64 -0.887 -6.572 0.877 1.00 0.00 C ATOM 928 O ILE A 64 -1.929 -7.125 0.522 1.00 0.00 O ATOM 929 CB ILE A 64 0.704 -5.607 -0.787 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.176 -4.334 -1.491 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.228 -6.635 -1.802 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.552 -4.458 -2.105 1.00 0.00 C ATOM 0 H ILE A 64 1.012 -4.092 1.177 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.255 -4.831 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 64 1.546 -6.029 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.461 -4.074 -2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.179 -3.512 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.034 -6.855 -2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.063 -7.549 -1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.628 -6.238 -2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.821 -3.518 -2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.279 -4.688 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.549 -5.258 -2.846 1.00 0.00 H new ATOM 944 N LEU A 65 -0.110 -7.047 1.844 1.00 0.00 N ATOM 945 CA LEU A 65 -0.443 -8.274 2.560 1.00 0.00 C ATOM 946 C LEU A 65 -1.767 -8.128 3.304 1.00 0.00 C ATOM 947 O LEU A 65 -2.383 -9.118 3.695 1.00 0.00 O ATOM 948 CB LEU A 65 0.671 -8.631 3.546 1.00 0.00 C ATOM 949 CG LEU A 65 2.001 -9.065 2.927 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.091 -9.114 3.986 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.855 -10.418 2.245 1.00 0.00 C ATOM 0 H LEU A 65 0.755 -6.601 2.151 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.544 -9.076 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.855 -7.767 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.314 -9.434 4.191 1.00 0.00 H new ATOM 0 HG LEU A 65 2.287 -8.330 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.030 -9.425 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.213 -8.125 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.813 -9.827 4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.811 -10.711 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.546 -11.163 2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.104 -10.350 1.458 1.00 0.00 H new ATOM 963 N ALA A 66 -2.199 -6.885 3.492 1.00 0.00 N ATOM 964 CA ALA A 66 -3.452 -6.610 4.184 1.00 0.00 C ATOM 965 C ALA A 66 -4.595 -6.413 3.194 1.00 0.00 C ATOM 966 O ALA A 66 -5.690 -6.943 3.383 1.00 0.00 O ATOM 967 CB ALA A 66 -3.305 -5.383 5.073 1.00 0.00 C ATOM 0 H ALA A 66 -1.700 -6.054 3.175 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.691 -7.472 4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.248 -5.189 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.522 -5.560 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.039 -4.521 4.462 1.00 0.00 H new ATOM 973 N GLU A 67 -4.333 -5.649 2.138 1.00 0.00 N ATOM 974 CA GLU A 67 -5.341 -5.382 1.120 1.00 0.00 C ATOM 975 C GLU A 67 -5.536 -6.597 0.216 1.00 0.00 C ATOM 976 O GLU A 67 -6.493 -6.662 -0.557 1.00 0.00 O ATOM 977 CB GLU A 67 -4.941 -4.168 0.280 1.00 0.00 C ATOM 978 CG GLU A 67 -5.116 -2.843 1.004 1.00 0.00 C ATOM 979 CD GLU A 67 -6.551 -2.354 0.988 1.00 0.00 C ATOM 980 OE1 GLU A 67 -7.466 -3.193 1.123 1.00 0.00 O ATOM 981 OE2 GLU A 67 -6.759 -1.132 0.841 1.00 0.00 O ATOM 0 H GLU A 67 -3.431 -5.204 1.966 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.283 -5.171 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.899 -4.273 -0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.537 -4.156 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.785 -2.951 2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.475 -2.093 0.541 1.00 0.00 H new ATOM 988 N CYS A 68 -4.623 -7.556 0.320 1.00 0.00 N ATOM 989 CA CYS A 68 -4.693 -8.768 -0.488 1.00 0.00 C ATOM 990 C CYS A 68 -6.076 -9.405 -0.395 1.00 0.00 C ATOM 991 O CYS A 68 -6.861 -9.083 0.496 1.00 0.00 O ATOM 992 CB CYS A 68 -3.626 -9.768 -0.038 1.00 0.00 C ATOM 993 SG CYS A 68 -4.005 -10.599 1.522 1.00 0.00 S ATOM 0 H CYS A 68 -3.826 -7.518 0.955 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.509 -8.494 -1.527 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.497 -10.520 -0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.674 -9.247 0.062 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.351 -10.026 2.489 1.00 0.00 H new