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= 0.893 USER MOD Set 1.2: A 37 CYS SG : rot -51:sc= 0.339 USER MOD Set 1.3: A 60 CYS SG : rot -133:sc= 0.366 USER MOD Set 1.4: A 63 CYS SG : rot 104:sc= 0.226 USER MOD Set 2.1: A 19 CYS SG : rot 149:sc= 0.336 USER MOD Set 2.2: A 22 CYS SG : rot -55:sc= -0.109 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -3.18 X(o=-2.9,f=-3.3) USER MOD Set 2.4: A 45 CYS SG : rot 133:sc= 0.0356 USER MOD Single : A 16 SER OG : rot 29:sc= 0.347 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0416 K(o=-0.042,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -0.0613 (180deg=-0.452) USER MOD Single : A 40 ASN : amide:sc= -1.89 K(o=-1.9,f=-3.4) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 16 10.989 13.435 8.826 1.00 0.00 N ATOM 184 CA SER A 16 12.031 12.663 8.161 1.00 0.00 C ATOM 185 C SER A 16 11.491 11.318 7.686 1.00 0.00 C ATOM 186 O SER A 16 10.287 11.065 7.740 1.00 0.00 O ATOM 187 CB SER A 16 13.216 12.446 9.105 1.00 0.00 C ATOM 188 OG SER A 16 13.504 13.622 9.840 1.00 0.00 O ATOM 0 HA SER A 16 12.368 13.227 7.291 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.993 11.630 9.792 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.093 12.149 8.530 1.00 0.00 H new ATOM 0 HG SER A 16 12.683 14.145 9.955 1.00 0.00 H new ATOM 194 N TYR A 17 12.391 10.457 7.221 1.00 0.00 N ATOM 195 CA TYR A 17 12.006 9.138 6.734 1.00 0.00 C ATOM 196 C TYR A 17 12.886 8.053 7.347 1.00 0.00 C ATOM 197 O TYR A 17 14.084 7.981 7.070 1.00 0.00 O ATOM 198 CB TYR A 17 12.101 9.087 5.209 1.00 0.00 C ATOM 199 CG TYR A 17 11.492 10.289 4.523 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.203 10.707 4.826 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.208 11.008 3.573 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.643 11.805 4.201 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.657 12.108 2.945 1.00 0.00 C ATOM 204 CZ TYR A 17 10.374 12.502 3.262 1.00 0.00 C ATOM 205 OH TYR A 17 9.820 13.597 2.638 1.00 0.00 O ATOM 0 H TYR A 17 13.391 10.650 7.171 1.00 0.00 H new ATOM 0 HA TYR A 17 10.974 8.955 7.033 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.149 9.008 4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.603 8.185 4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.628 10.165 5.562 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.213 10.701 3.322 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.638 12.116 4.447 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.228 12.656 2.210 1.00 0.00 H new ATOM 0 HH TYR A 17 10.466 13.975 2.006 1.00 0.00 H new ATOM 215 N ILE A 18 12.283 7.211 8.180 1.00 0.00 N ATOM 216 CA ILE A 18 13.011 6.129 8.830 1.00 0.00 C ATOM 217 C ILE A 18 12.482 4.768 8.389 1.00 0.00 C ATOM 218 O ILE A 18 11.278 4.513 8.434 1.00 0.00 O ATOM 219 CB ILE A 18 12.917 6.230 10.364 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.237 7.654 10.823 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.861 5.232 11.019 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.607 8.133 10.397 1.00 0.00 C ATOM 0 H ILE A 18 11.293 7.258 8.420 1.00 0.00 H new ATOM 0 HA ILE A 18 14.054 6.226 8.530 1.00 0.00 H new ATOM 0 HB ILE A 18 11.898 5.990 10.668 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.483 8.333 10.425 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.166 7.701 11.910 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.783 5.315 12.103 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.592 4.221 10.712 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.885 5.444 10.711 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.765 9.150 10.757 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.369 7.477 10.817 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.676 8.119 9.309 1.00 0.00 H new ATOM 234 N CYS A 19 13.390 3.896 7.964 1.00 0.00 N ATOM 235 CA CYS A 19 13.017 2.560 7.516 1.00 0.00 C ATOM 236 C CYS A 19 12.155 1.857 8.560 1.00 0.00 C ATOM 237 O CYS A 19 12.234 2.161 9.750 1.00 0.00 O ATOM 238 CB CYS A 19 14.269 1.728 7.228 1.00 0.00 C ATOM 239 SG CYS A 19 13.943 0.189 6.310 1.00 0.00 S ATOM 0 H CYS A 19 14.390 4.091 7.920 1.00 0.00 H new ATOM 0 HA CYS A 19 12.436 2.660 6.599 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.973 2.335 6.660 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.753 1.480 8.173 1.00 0.00 H new ATOM 0 HG CYS A 19 14.968 -0.097 5.564 1.00 0.00 H new ATOM 244 N GLN A 20 11.334 0.916 8.105 1.00 0.00 N ATOM 245 CA GLN A 20 10.457 0.170 9.000 1.00 0.00 C ATOM 246 C GLN A 20 10.943 -1.266 9.165 1.00 0.00 C ATOM 247 O GLN A 20 10.171 -2.156 9.524 1.00 0.00 O ATOM 248 CB GLN A 20 9.023 0.178 8.467 1.00 0.00 C ATOM 249 CG GLN A 20 8.225 1.402 8.885 1.00 0.00 C ATOM 250 CD GLN A 20 7.736 1.318 10.318 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.875 0.285 10.974 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.159 2.407 10.811 1.00 0.00 N ATOM 0 H GLN A 20 11.258 0.652 7.123 1.00 0.00 H new ATOM 0 HA GLN A 20 10.477 0.655 9.976 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.049 0.126 7.379 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.509 -0.717 8.817 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.844 2.292 8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.370 1.518 8.219 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.065 3.241 10.232 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.810 2.410 11.769 1.00 0.00 H new ATOM 261 N VAL A 21 12.227 -1.486 8.901 1.00 0.00 N ATOM 262 CA VAL A 21 12.816 -2.814 9.022 1.00 0.00 C ATOM 263 C VAL A 21 14.114 -2.769 9.819 1.00 0.00 C ATOM 264 O VAL A 21 14.365 -3.626 10.667 1.00 0.00 O ATOM 265 CB VAL A 21 13.097 -3.431 7.639 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.740 -4.801 7.786 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.815 -3.518 6.824 1.00 0.00 C ATOM 0 H VAL A 21 12.879 -0.761 8.602 1.00 0.00 H new ATOM 0 HA VAL A 21 12.091 -3.435 9.549 1.00 0.00 H new ATOM 0 HB VAL A 21 13.795 -2.785 7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.931 -5.221 6.799 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.681 -4.705 8.328 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.070 -5.460 8.337 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.032 -3.956 5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.092 -4.142 7.349 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.402 -2.519 6.688 1.00 0.00 H new ATOM 277 N CYS A 22 14.937 -1.763 9.543 1.00 0.00 N ATOM 278 CA CYS A 22 16.211 -1.604 10.234 1.00 0.00 C ATOM 279 C CYS A 22 16.224 -0.324 11.065 1.00 0.00 C ATOM 280 O CYS A 22 17.058 -0.157 11.955 1.00 0.00 O ATOM 281 CB CYS A 22 17.363 -1.583 9.227 1.00 0.00 C ATOM 282 SG CYS A 22 17.308 -0.181 8.065 1.00 0.00 S ATOM 0 H CYS A 22 14.744 -1.045 8.845 1.00 0.00 H new ATOM 0 HA CYS A 22 16.339 -2.453 10.905 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.307 -1.553 9.771 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.352 -2.513 8.659 1.00 0.00 H new ATOM 0 HG CYS A 22 16.156 -0.162 7.462 1.00 0.00 H new ATOM 287 N SER A 23 15.292 0.576 10.769 1.00 0.00 N ATOM 288 CA SER A 23 15.197 1.842 11.486 1.00 0.00 C ATOM 289 C SER A 23 16.445 2.690 11.258 1.00 0.00 C ATOM 290 O SER A 23 17.189 2.984 12.194 1.00 0.00 O ATOM 291 CB SER A 23 15.003 1.592 12.983 1.00 0.00 C ATOM 292 OG SER A 23 14.098 0.526 13.208 1.00 0.00 O ATOM 0 H SER A 23 14.592 0.452 10.038 1.00 0.00 H new ATOM 0 HA SER A 23 14.334 2.385 11.101 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.963 1.361 13.444 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.629 2.498 13.461 1.00 0.00 H new ATOM 0 HG SER A 23 13.992 0.385 14.172 1.00 0.00 H new ATOM 298 N ARG A 24 16.667 3.081 10.007 1.00 0.00 N ATOM 299 CA ARG A 24 17.824 3.894 9.654 1.00 0.00 C ATOM 300 C ARG A 24 17.392 5.183 8.961 1.00 0.00 C ATOM 301 O ARG A 24 16.202 5.426 8.765 1.00 0.00 O ATOM 302 CB ARG A 24 18.770 3.106 8.746 1.00 0.00 C ATOM 303 CG ARG A 24 19.747 2.222 9.505 1.00 0.00 C ATOM 304 CD ARG A 24 20.798 3.048 10.229 1.00 0.00 C ATOM 305 NE ARG A 24 21.751 2.209 10.951 1.00 0.00 N ATOM 306 CZ ARG A 24 22.672 1.461 10.354 1.00 0.00 C ATOM 307 NH1 ARG A 24 22.764 1.448 9.031 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.503 0.724 11.079 1.00 0.00 N ATOM 0 H ARG A 24 16.060 2.848 9.221 1.00 0.00 H new ATOM 0 HA ARG A 24 18.348 4.155 10.574 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.180 2.485 8.072 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.332 3.805 8.126 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.203 1.611 10.225 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.235 1.538 8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.333 3.667 9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.308 3.725 10.929 1.00 0.00 H new ATOM 0 HE ARG A 24 21.707 2.197 11.970 1.00 0.00 H new ATOM 0 HH11 ARG A 24 22.127 2.013 8.470 1.00 0.00 H new ATOM 0 HH12 ARG A 24 23.472 0.873 8.575 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.435 0.731 12.097 1.00 0.00 H new ATOM 0 HH22 ARG A 24 24.210 0.150 10.619 1.00 0.00 H new ATOM 322 N GLY A 25 18.369 6.006 8.591 1.00 0.00 N ATOM 323 CA GLY A 25 18.070 7.260 7.924 1.00 0.00 C ATOM 324 C GLY A 25 19.051 7.574 6.813 1.00 0.00 C ATOM 325 O GLY A 25 18.662 8.057 5.749 1.00 0.00 O ATOM 0 H GLY A 25 19.362 5.827 8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.061 7.218 7.513 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.083 8.069 8.655 1.00 0.00 H new ATOM 329 N ASP A 26 20.328 7.301 7.058 1.00 0.00 N ATOM 330 CA ASP A 26 21.369 7.558 6.070 1.00 0.00 C ATOM 331 C ASP A 26 21.101 6.782 4.784 1.00 0.00 C ATOM 332 O ASP A 26 21.588 7.148 3.715 1.00 0.00 O ATOM 333 CB ASP A 26 22.740 7.180 6.632 1.00 0.00 C ATOM 334 CG ASP A 26 23.856 8.029 6.055 1.00 0.00 C ATOM 335 OD1 ASP A 26 24.140 7.894 4.847 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.446 8.828 6.813 1.00 0.00 O ATOM 0 H ASP A 26 20.667 6.901 7.933 1.00 0.00 H new ATOM 0 HA ASP A 26 21.361 8.623 5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.728 7.289 7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 26 22.940 6.130 6.420 1.00 0.00 H new ATOM 341 N GLU A 27 20.324 5.710 4.897 1.00 0.00 N ATOM 342 CA GLU A 27 19.993 4.882 3.743 1.00 0.00 C ATOM 343 C GLU A 27 18.815 5.469 2.972 1.00 0.00 C ATOM 344 O GLU A 27 18.384 4.915 1.960 1.00 0.00 O ATOM 345 CB GLU A 27 19.665 3.455 4.189 1.00 0.00 C ATOM 346 CG GLU A 27 20.893 2.583 4.393 1.00 0.00 C ATOM 347 CD GLU A 27 21.650 2.331 3.104 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.074 2.564 2.021 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.820 1.900 3.179 1.00 0.00 O ATOM 0 H GLU A 27 19.912 5.394 5.775 1.00 0.00 H new ATOM 0 HA GLU A 27 20.861 4.859 3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.100 3.495 5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.019 2.990 3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.558 3.061 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.589 1.629 4.824 1.00 0.00 H new ATOM 356 N ASP A 28 18.299 6.593 3.457 1.00 0.00 N ATOM 357 CA ASP A 28 17.171 7.257 2.813 1.00 0.00 C ATOM 358 C ASP A 28 17.424 7.432 1.319 1.00 0.00 C ATOM 359 O ASP A 28 16.487 7.479 0.522 1.00 0.00 O ATOM 360 CB ASP A 28 16.915 8.617 3.463 1.00 0.00 C ATOM 361 CG ASP A 28 18.065 9.583 3.257 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.226 9.178 3.474 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.804 10.744 2.879 1.00 0.00 O ATOM 0 H ASP A 28 18.644 7.064 4.294 1.00 0.00 H new ATOM 0 HA ASP A 28 16.289 6.630 2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.004 9.048 3.049 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.746 8.480 4.531 1.00 0.00 H new ATOM 368 N ASP A 29 18.696 7.529 0.947 1.00 0.00 N ATOM 369 CA ASP A 29 19.072 7.699 -0.451 1.00 0.00 C ATOM 370 C ASP A 29 18.405 6.643 -1.326 1.00 0.00 C ATOM 371 O ASP A 29 18.144 6.873 -2.507 1.00 0.00 O ATOM 372 CB ASP A 29 20.592 7.621 -0.606 1.00 0.00 C ATOM 373 CG ASP A 29 21.179 8.883 -1.206 1.00 0.00 C ATOM 374 OD1 ASP A 29 20.560 9.441 -2.137 1.00 0.00 O ATOM 375 OD2 ASP A 29 22.256 9.314 -0.744 1.00 0.00 O ATOM 0 H ASP A 29 19.483 7.493 1.594 1.00 0.00 H new ATOM 0 HA ASP A 29 18.731 8.682 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.045 7.441 0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.847 6.770 -1.237 1.00 0.00 H new ATOM 380 N LYS A 30 18.132 5.482 -0.740 1.00 0.00 N ATOM 381 CA LYS A 30 17.494 4.389 -1.464 1.00 0.00 C ATOM 382 C LYS A 30 16.215 3.944 -0.763 1.00 0.00 C ATOM 383 O LYS A 30 15.849 2.769 -0.803 1.00 0.00 O ATOM 384 CB LYS A 30 18.456 3.206 -1.592 1.00 0.00 C ATOM 385 CG LYS A 30 19.525 3.403 -2.654 1.00 0.00 C ATOM 386 CD LYS A 30 20.484 2.225 -2.705 1.00 0.00 C ATOM 387 CE LYS A 30 20.748 1.784 -4.137 1.00 0.00 C ATOM 388 NZ LYS A 30 21.151 2.925 -5.004 1.00 0.00 N ATOM 0 H LYS A 30 18.343 5.274 0.236 1.00 0.00 H new ATOM 0 HA LYS A 30 17.234 4.749 -2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.939 3.035 -0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.885 2.308 -1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.052 3.531 -3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.081 4.317 -2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.425 2.499 -2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.070 1.392 -2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.532 1.027 -4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.851 1.318 -4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.726 2.573 -5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.301 3.396 -5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.707 3.605 -4.447 1.00 0.00 H new ATOM 402 N LEU A 31 15.538 4.890 -0.121 1.00 0.00 N ATOM 403 CA LEU A 31 14.298 4.596 0.588 1.00 0.00 C ATOM 404 C LEU A 31 13.100 4.679 -0.352 1.00 0.00 C ATOM 405 O LEU A 31 13.028 5.562 -1.208 1.00 0.00 O ATOM 406 CB LEU A 31 14.112 5.566 1.756 1.00 0.00 C ATOM 407 CG LEU A 31 14.312 4.980 3.154 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.088 6.045 4.216 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.378 3.799 3.375 1.00 0.00 C ATOM 0 H LEU A 31 15.827 5.867 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 31 14.363 3.579 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.808 6.395 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.107 5.983 1.699 1.00 0.00 H new ATOM 0 HG LEU A 31 15.340 4.626 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.235 5.610 5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.797 6.860 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.071 6.430 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.534 3.394 4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.344 4.129 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.586 3.027 2.634 1.00 0.00 H new ATOM 421 N LEU A 32 12.159 3.755 -0.187 1.00 0.00 N ATOM 422 CA LEU A 32 10.962 3.724 -1.020 1.00 0.00 C ATOM 423 C LEU A 32 9.768 4.315 -0.278 1.00 0.00 C ATOM 424 O LEU A 32 9.733 4.330 0.952 1.00 0.00 O ATOM 425 CB LEU A 32 10.651 2.289 -1.448 1.00 0.00 C ATOM 426 CG LEU A 32 11.524 1.718 -2.567 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.930 1.440 -2.057 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.901 0.453 -3.137 1.00 0.00 C ATOM 0 H LEU A 32 12.202 3.017 0.516 1.00 0.00 H new ATOM 0 HA LEU A 32 11.151 4.328 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.745 1.642 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.610 2.244 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 32 11.589 2.458 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.537 1.034 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.377 2.367 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.885 0.719 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.536 0.061 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.805 -0.293 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.915 0.683 -3.540 1.00 0.00 H new ATOM 440 N PHE A 33 8.789 4.801 -1.035 1.00 0.00 N ATOM 441 CA PHE A 33 7.591 5.392 -0.449 1.00 0.00 C ATOM 442 C PHE A 33 6.344 4.616 -0.861 1.00 0.00 C ATOM 443 O PHE A 33 6.119 4.361 -2.044 1.00 0.00 O ATOM 444 CB PHE A 33 7.459 6.856 -0.876 1.00 0.00 C ATOM 445 CG PHE A 33 8.736 7.635 -0.749 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.343 7.799 0.486 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.330 8.205 -1.864 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.519 8.516 0.607 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.505 8.922 -1.749 1.00 0.00 C ATOM 450 CZ PHE A 33 11.100 9.079 -0.512 1.00 0.00 C ATOM 0 H PHE A 33 8.802 4.797 -2.055 1.00 0.00 H new ATOM 0 HA PHE A 33 7.685 5.343 0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.121 6.895 -1.911 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.689 7.335 -0.271 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.892 7.362 1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.869 8.087 -2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.982 8.636 1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.959 9.360 -2.626 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.018 9.641 -0.420 1.00 0.00 H new ATOM 460 N CYS A 34 5.536 4.241 0.125 1.00 0.00 N ATOM 461 CA CYS A 34 4.312 3.492 -0.132 1.00 0.00 C ATOM 462 C CYS A 34 3.174 4.429 -0.529 1.00 0.00 C ATOM 463 O CYS A 34 3.016 5.507 0.044 1.00 0.00 O ATOM 464 CB CYS A 34 3.914 2.685 1.106 1.00 0.00 C ATOM 465 SG CYS A 34 2.279 1.890 0.980 1.00 0.00 S ATOM 0 H CYS A 34 5.707 4.444 1.110 1.00 0.00 H new ATOM 0 HA CYS A 34 4.501 2.808 -0.959 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.667 1.917 1.284 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.920 3.344 1.974 1.00 0.00 H new ATOM 0 HG CYS A 34 2.282 0.782 1.660 1.00 0.00 H new ATOM 470 N ASP A 35 2.385 4.009 -1.511 1.00 0.00 N ATOM 471 CA ASP A 35 1.262 4.809 -1.984 1.00 0.00 C ATOM 472 C ASP A 35 -0.015 4.453 -1.229 1.00 0.00 C ATOM 473 O ASP A 35 -1.074 4.275 -1.829 1.00 0.00 O ATOM 474 CB ASP A 35 1.056 4.601 -3.486 1.00 0.00 C ATOM 475 CG ASP A 35 0.023 5.546 -4.065 1.00 0.00 C ATOM 476 OD1 ASP A 35 -0.051 6.703 -3.600 1.00 0.00 O ATOM 477 OD2 ASP A 35 -0.712 5.130 -4.985 1.00 0.00 O ATOM 0 H ASP A 35 2.502 3.119 -1.995 1.00 0.00 H new ATOM 0 HA ASP A 35 1.492 5.858 -1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.005 4.744 -4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.745 3.572 -3.668 1.00 0.00 H new ATOM 482 N GLY A 36 0.094 4.349 0.092 1.00 0.00 N ATOM 483 CA GLY A 36 -1.059 4.013 0.907 1.00 0.00 C ATOM 484 C GLY A 36 -0.889 4.434 2.353 1.00 0.00 C ATOM 485 O GLY A 36 -1.836 4.900 2.988 1.00 0.00 O ATOM 0 H GLY A 36 0.960 4.491 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.945 4.494 0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.230 2.937 0.863 1.00 0.00 H new ATOM 489 N CYS A 37 0.322 4.270 2.877 1.00 0.00 N ATOM 490 CA CYS A 37 0.613 4.634 4.258 1.00 0.00 C ATOM 491 C CYS A 37 1.795 5.597 4.329 1.00 0.00 C ATOM 492 O CYS A 37 2.166 6.063 5.407 1.00 0.00 O ATOM 493 CB CYS A 37 0.910 3.382 5.086 1.00 0.00 C ATOM 494 SG CYS A 37 2.415 2.492 4.574 1.00 0.00 S ATOM 0 H CYS A 37 1.117 3.887 2.365 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.265 5.133 4.669 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.008 3.667 6.134 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.059 2.704 5.018 1.00 0.00 H new ATOM 0 HG CYS A 37 2.374 2.271 3.293 1.00 0.00 H new ATOM 499 N ASP A 38 2.382 5.890 3.174 1.00 0.00 N ATOM 500 CA ASP A 38 3.521 6.797 3.104 1.00 0.00 C ATOM 501 C ASP A 38 4.610 6.381 4.088 1.00 0.00 C ATOM 502 O ASP A 38 5.015 7.162 4.948 1.00 0.00 O ATOM 503 CB ASP A 38 3.077 8.232 3.394 1.00 0.00 C ATOM 504 CG ASP A 38 4.075 9.259 2.898 1.00 0.00 C ATOM 505 OD1 ASP A 38 5.274 8.922 2.799 1.00 0.00 O ATOM 506 OD2 ASP A 38 3.658 10.400 2.610 1.00 0.00 O ATOM 0 H ASP A 38 2.088 5.512 2.273 1.00 0.00 H new ATOM 0 HA ASP A 38 3.930 6.748 2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.111 8.412 2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.936 8.356 4.468 1.00 0.00 H new ATOM 511 N ASP A 39 5.078 5.144 3.956 1.00 0.00 N ATOM 512 CA ASP A 39 6.120 4.623 4.833 1.00 0.00 C ATOM 513 C ASP A 39 7.474 4.626 4.131 1.00 0.00 C ATOM 514 O ASP A 39 7.584 5.037 2.976 1.00 0.00 O ATOM 515 CB ASP A 39 5.771 3.205 5.288 1.00 0.00 C ATOM 516 CG ASP A 39 4.950 3.192 6.563 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.161 4.138 6.771 1.00 0.00 O ATOM 518 OD2 ASP A 39 5.096 2.236 7.352 1.00 0.00 O ATOM 0 H ASP A 39 4.752 4.484 3.250 1.00 0.00 H new ATOM 0 HA ASP A 39 6.183 5.272 5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.217 2.699 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.690 2.640 5.445 1.00 0.00 H new ATOM 523 N ASN A 40 8.502 4.166 4.836 1.00 0.00 N ATOM 524 CA ASN A 40 9.849 4.117 4.281 1.00 0.00 C ATOM 525 C ASN A 40 10.409 2.699 4.334 1.00 0.00 C ATOM 526 O ASN A 40 10.501 2.096 5.403 1.00 0.00 O ATOM 527 CB ASN A 40 10.772 5.070 5.043 1.00 0.00 C ATOM 528 CG ASN A 40 10.051 6.317 5.517 1.00 0.00 C ATOM 529 OD1 ASN A 40 10.037 6.623 6.710 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.449 7.044 4.583 1.00 0.00 N ATOM 0 H ASN A 40 8.428 3.822 5.793 1.00 0.00 H new ATOM 0 HA ASN A 40 9.796 4.429 3.238 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.197 4.551 5.902 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.604 5.357 4.400 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.949 7.894 4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.487 6.752 3.606 1.00 0.00 H new ATOM 537 N TYR A 41 10.782 2.173 3.172 1.00 0.00 N ATOM 538 CA TYR A 41 11.331 0.824 3.086 1.00 0.00 C ATOM 539 C TYR A 41 12.495 0.773 2.102 1.00 0.00 C ATOM 540 O TYR A 41 12.405 1.287 0.986 1.00 0.00 O ATOM 541 CB TYR A 41 10.244 -0.165 2.660 1.00 0.00 C ATOM 542 CG TYR A 41 9.215 -0.433 3.734 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.405 -1.444 4.669 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.053 0.324 3.816 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.466 -1.693 5.652 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.110 0.083 4.796 1.00 0.00 C ATOM 547 CZ TYR A 41 7.321 -0.927 5.711 1.00 0.00 C ATOM 548 OH TYR A 41 6.385 -1.171 6.690 1.00 0.00 O ATOM 0 H TYR A 41 10.714 2.659 2.278 1.00 0.00 H new ATOM 0 HA TYR A 41 11.700 0.545 4.073 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.740 0.221 1.774 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.713 -1.107 2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.301 -2.045 4.627 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.884 1.115 3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.628 -2.483 6.370 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.213 0.682 4.845 1.00 0.00 H new ATOM 0 HH TYR A 41 5.639 -0.543 6.593 1.00 0.00 H new ATOM 558 N HIS A 42 13.590 0.147 2.523 1.00 0.00 N ATOM 559 CA HIS A 42 14.773 0.026 1.679 1.00 0.00 C ATOM 560 C HIS A 42 14.588 -1.073 0.637 1.00 0.00 C ATOM 561 O HIS A 42 13.539 -1.716 0.579 1.00 0.00 O ATOM 562 CB HIS A 42 16.007 -0.269 2.533 1.00 0.00 C ATOM 563 CG HIS A 42 16.359 0.839 3.478 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.003 0.627 4.679 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.156 2.174 3.392 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.179 1.784 5.291 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.674 2.739 4.531 1.00 0.00 N ATOM 0 H HIS A 42 13.682 -0.284 3.443 1.00 0.00 H new ATOM 0 HA HIS A 42 14.916 0.974 1.160 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.834 -1.181 3.104 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.856 -0.459 1.877 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.676 2.698 2.579 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.655 1.925 6.250 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.670 3.734 4.754 1.00 0.00 H new ATOM 575 N ILE A 43 15.611 -1.282 -0.184 1.00 0.00 N ATOM 576 CA ILE A 43 15.560 -2.303 -1.223 1.00 0.00 C ATOM 577 C ILE A 43 16.201 -3.603 -0.749 1.00 0.00 C ATOM 578 O ILE A 43 15.993 -4.662 -1.341 1.00 0.00 O ATOM 579 CB ILE A 43 16.268 -1.834 -2.508 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.742 -1.536 -2.225 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.573 -0.607 -3.078 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.576 -1.369 -3.476 1.00 0.00 C ATOM 0 H ILE A 43 16.485 -0.758 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 43 14.507 -2.479 -1.441 1.00 0.00 H new ATOM 0 HB ILE A 43 16.214 -2.633 -3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.812 -0.627 -1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.159 -2.345 -1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 43 16.085 -0.288 -3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.537 -0.852 -3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.598 0.199 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.609 -1.160 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.536 -2.285 -4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.184 -0.541 -4.067 1.00 0.00 H new ATOM 594 N PHE A 44 16.979 -3.515 0.324 1.00 0.00 N ATOM 595 CA PHE A 44 17.650 -4.685 0.880 1.00 0.00 C ATOM 596 C PHE A 44 17.046 -5.069 2.228 1.00 0.00 C ATOM 597 O PHE A 44 17.625 -5.853 2.980 1.00 0.00 O ATOM 598 CB PHE A 44 19.147 -4.413 1.039 1.00 0.00 C ATOM 599 CG PHE A 44 19.451 -3.094 1.690 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.555 -1.939 0.931 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.633 -3.009 3.061 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.835 -0.725 1.528 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.913 -1.797 3.663 1.00 0.00 C ATOM 604 CZ PHE A 44 20.014 -0.653 2.896 1.00 0.00 C ATOM 0 H PHE A 44 17.161 -2.646 0.826 1.00 0.00 H new ATOM 0 HA PHE A 44 17.510 -5.516 0.189 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.592 -5.212 1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.620 -4.442 0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.416 -1.989 -0.139 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.555 -3.900 3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.914 0.168 0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.053 -1.744 4.733 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.232 0.295 3.364 1.00 0.00 H new ATOM 614 N CYS A 45 15.877 -4.511 2.526 1.00 0.00 N ATOM 615 CA CYS A 45 15.193 -4.792 3.782 1.00 0.00 C ATOM 616 C CYS A 45 13.920 -5.597 3.540 1.00 0.00 C ATOM 617 O CYS A 45 13.436 -6.298 4.430 1.00 0.00 O ATOM 618 CB CYS A 45 14.855 -3.488 4.507 1.00 0.00 C ATOM 619 SG CYS A 45 16.259 -2.750 5.404 1.00 0.00 S ATOM 0 H CYS A 45 15.384 -3.861 1.914 1.00 0.00 H new ATOM 0 HA CYS A 45 15.863 -5.383 4.406 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.483 -2.766 3.780 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.046 -3.676 5.212 1.00 0.00 H new ATOM 0 HG CYS A 45 16.331 -1.482 5.129 1.00 0.00 H new ATOM 624 N LEU A 46 13.382 -5.493 2.329 1.00 0.00 N ATOM 625 CA LEU A 46 12.165 -6.211 1.968 1.00 0.00 C ATOM 626 C LEU A 46 12.429 -7.709 1.857 1.00 0.00 C ATOM 627 O LEU A 46 13.494 -8.193 2.244 1.00 0.00 O ATOM 628 CB LEU A 46 11.610 -5.680 0.646 1.00 0.00 C ATOM 629 CG LEU A 46 11.557 -4.158 0.502 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.411 -3.765 -0.959 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.415 -3.584 1.328 1.00 0.00 C ATOM 0 H LEU A 46 13.770 -4.918 1.581 1.00 0.00 H new ATOM 0 HA LEU A 46 11.429 -6.048 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.216 -6.081 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.602 -6.072 0.515 1.00 0.00 H new ATOM 0 HG LEU A 46 12.493 -3.744 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.375 -2.679 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.262 -4.144 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.491 -4.190 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.392 -2.500 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.470 -4.005 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.564 -3.835 2.378 1.00 0.00 H new ATOM 643 N LEU A 47 11.455 -8.438 1.324 1.00 0.00 N ATOM 644 CA LEU A 47 11.583 -9.882 1.160 1.00 0.00 C ATOM 645 C LEU A 47 10.438 -10.437 0.318 1.00 0.00 C ATOM 646 O LEU A 47 9.301 -10.558 0.774 1.00 0.00 O ATOM 647 CB LEU A 47 11.607 -10.571 2.525 1.00 0.00 C ATOM 648 CG LEU A 47 12.583 -11.739 2.670 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.079 -11.846 4.104 1.00 0.00 C ATOM 650 CD2 LEU A 47 11.925 -13.040 2.233 1.00 0.00 C ATOM 0 H LEU A 47 10.568 -8.053 0.998 1.00 0.00 H new ATOM 0 HA LEU A 47 12.521 -10.082 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.849 -9.825 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.603 -10.933 2.744 1.00 0.00 H new ATOM 0 HG LEU A 47 13.441 -11.553 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.772 -12.683 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.588 -10.923 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.232 -12.009 4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.634 -13.861 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.049 -13.231 2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.620 -12.961 1.190 1.00 0.00 H new ATOM 662 N PRO A 48 10.744 -10.786 -0.941 1.00 0.00 N ATOM 663 CA PRO A 48 12.094 -10.646 -1.495 1.00 0.00 C ATOM 664 C PRO A 48 12.489 -9.187 -1.699 1.00 0.00 C ATOM 665 O PRO A 48 11.654 -8.327 -1.981 1.00 0.00 O ATOM 666 CB PRO A 48 12.001 -11.368 -2.842 1.00 0.00 C ATOM 667 CG PRO A 48 10.561 -11.292 -3.214 1.00 0.00 C ATOM 668 CD PRO A 48 9.796 -11.343 -1.920 1.00 0.00 C ATOM 0 HA PRO A 48 12.853 -11.055 -0.828 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.630 -10.888 -3.592 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.335 -12.402 -2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.347 -10.372 -3.758 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.282 -12.120 -3.865 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.880 -10.755 -1.972 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.507 -12.362 -1.664 1.00 0.00 H new ATOM 676 N PRO A 49 13.791 -8.900 -1.555 1.00 0.00 N ATOM 677 CA PRO A 49 14.326 -7.545 -1.720 1.00 0.00 C ATOM 678 C PRO A 49 14.283 -7.078 -3.171 1.00 0.00 C ATOM 679 O PRO A 49 14.021 -7.867 -4.081 1.00 0.00 O ATOM 680 CB PRO A 49 15.774 -7.675 -1.243 1.00 0.00 C ATOM 681 CG PRO A 49 16.115 -9.110 -1.452 1.00 0.00 C ATOM 682 CD PRO A 49 14.842 -9.876 -1.220 1.00 0.00 C ATOM 0 HA PRO A 49 13.745 -6.807 -1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.438 -7.024 -1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.872 -7.394 -0.195 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.494 -9.278 -2.460 1.00 0.00 H new ATOM 0 HG3 PRO A 49 16.895 -9.430 -0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.785 -10.761 -1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.760 -10.216 -0.188 1.00 0.00 H new ATOM 690 N LEU A 50 14.541 -5.792 -3.381 1.00 0.00 N ATOM 691 CA LEU A 50 14.532 -5.219 -4.723 1.00 0.00 C ATOM 692 C LEU A 50 15.933 -4.781 -5.137 1.00 0.00 C ATOM 693 O LEU A 50 16.815 -4.567 -4.305 1.00 0.00 O ATOM 694 CB LEU A 50 13.574 -4.028 -4.785 1.00 0.00 C ATOM 695 CG LEU A 50 12.094 -4.366 -4.961 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.239 -3.118 -4.803 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.852 -5.012 -6.317 1.00 0.00 C ATOM 0 H LEU A 50 14.759 -5.126 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 50 14.191 -5.987 -5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.687 -3.448 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.880 -3.384 -5.610 1.00 0.00 H new ATOM 0 HG LEU A 50 11.809 -5.077 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.188 -3.378 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.390 -2.697 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.526 -2.383 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.793 -5.246 -6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.154 -4.324 -7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.436 -5.930 -6.392 1.00 0.00 H new ATOM 709 N PRO A 51 16.145 -4.643 -6.455 1.00 0.00 N ATOM 710 CA PRO A 51 17.437 -4.227 -7.009 1.00 0.00 C ATOM 711 C PRO A 51 17.755 -2.767 -6.706 1.00 0.00 C ATOM 712 O PRO A 51 18.895 -2.422 -6.401 1.00 0.00 O ATOM 713 CB PRO A 51 17.259 -4.434 -8.515 1.00 0.00 C ATOM 714 CG PRO A 51 15.790 -4.329 -8.742 1.00 0.00 C ATOM 715 CD PRO A 51 15.140 -4.883 -7.504 1.00 0.00 C ATOM 0 HA PRO A 51 18.265 -4.792 -6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.802 -3.680 -9.085 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.639 -5.406 -8.828 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.494 -3.293 -8.908 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.490 -4.892 -9.626 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.200 -4.377 -7.283 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.914 -5.944 -7.609 1.00 0.00 H new ATOM 723 N GLU A 52 16.738 -1.915 -6.791 1.00 0.00 N ATOM 724 CA GLU A 52 16.911 -0.491 -6.525 1.00 0.00 C ATOM 725 C GLU A 52 15.566 0.230 -6.529 1.00 0.00 C ATOM 726 O GLU A 52 14.519 -0.388 -6.722 1.00 0.00 O ATOM 727 CB GLU A 52 17.841 0.135 -7.566 1.00 0.00 C ATOM 728 CG GLU A 52 17.232 0.216 -8.956 1.00 0.00 C ATOM 729 CD GLU A 52 18.271 0.113 -10.055 1.00 0.00 C ATOM 730 OE1 GLU A 52 18.734 -1.014 -10.329 1.00 0.00 O ATOM 731 OE2 GLU A 52 18.622 1.159 -10.641 1.00 0.00 O ATOM 0 H GLU A 52 15.787 -2.185 -7.042 1.00 0.00 H new ATOM 0 HA GLU A 52 17.359 -0.383 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.115 1.138 -7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.761 -0.447 -7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.502 -0.584 -9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.693 1.158 -9.058 1.00 0.00 H new ATOM 738 N ILE A 53 15.604 1.541 -6.314 1.00 0.00 N ATOM 739 CA ILE A 53 14.389 2.346 -6.293 1.00 0.00 C ATOM 740 C ILE A 53 13.546 2.102 -7.539 1.00 0.00 C ATOM 741 O ILE A 53 14.039 2.126 -8.667 1.00 0.00 O ATOM 742 CB ILE A 53 14.712 3.849 -6.191 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.146 4.205 -4.768 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.506 4.679 -6.606 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.026 4.116 -3.755 1.00 0.00 C ATOM 0 H ILE A 53 16.462 2.068 -6.152 1.00 0.00 H new ATOM 0 HA ILE A 53 13.825 2.043 -5.411 1.00 0.00 H new ATOM 0 HB ILE A 53 15.535 4.075 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.953 3.538 -4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.550 5.217 -4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.750 5.739 -6.529 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.238 4.442 -7.636 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.665 4.451 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.406 4.382 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.228 4.804 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.636 3.098 -3.732 1.00 0.00 H new ATOM 757 N PRO A 54 12.242 1.862 -7.334 1.00 0.00 N ATOM 758 CA PRO A 54 11.301 1.611 -8.430 1.00 0.00 C ATOM 759 C PRO A 54 11.040 2.858 -9.267 1.00 0.00 C ATOM 760 O PRO A 54 11.471 3.956 -8.913 1.00 0.00 O ATOM 761 CB PRO A 54 10.024 1.175 -7.708 1.00 0.00 C ATOM 762 CG PRO A 54 10.122 1.795 -6.357 1.00 0.00 C ATOM 763 CD PRO A 54 11.586 1.818 -6.016 1.00 0.00 C ATOM 0 HA PRO A 54 11.683 0.871 -9.134 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.134 1.517 -8.237 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.958 0.089 -7.641 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.706 2.803 -6.359 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.559 1.219 -5.622 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.844 2.686 -5.410 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.881 0.935 -5.450 1.00 0.00 H new ATOM 771 N ARG A 55 10.332 2.682 -10.378 1.00 0.00 N ATOM 772 CA ARG A 55 10.014 3.794 -11.265 1.00 0.00 C ATOM 773 C ARG A 55 8.630 4.358 -10.957 1.00 0.00 C ATOM 774 O ARG A 55 8.503 5.435 -10.377 1.00 0.00 O ATOM 775 CB ARG A 55 10.079 3.343 -12.726 1.00 0.00 C ATOM 776 CG ARG A 55 11.494 3.271 -13.278 1.00 0.00 C ATOM 777 CD ARG A 55 11.871 4.547 -14.014 1.00 0.00 C ATOM 778 NE ARG A 55 12.446 4.272 -15.327 1.00 0.00 N ATOM 779 CZ ARG A 55 13.165 5.153 -16.014 1.00 0.00 C ATOM 780 NH1 ARG A 55 13.397 6.359 -15.513 1.00 0.00 N ATOM 781 NH2 ARG A 55 13.655 4.829 -17.203 1.00 0.00 N ATOM 0 H ARG A 55 9.968 1.780 -10.685 1.00 0.00 H new ATOM 0 HA ARG A 55 10.752 4.579 -11.100 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.612 2.362 -12.816 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.494 4.031 -13.336 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.196 3.100 -12.462 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.579 2.421 -13.955 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.987 5.173 -14.130 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.586 5.112 -13.416 1.00 0.00 H new ATOM 0 HE ARG A 55 12.287 3.353 -15.740 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.023 6.612 -14.598 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.949 7.034 -16.042 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.480 3.902 -17.591 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.207 5.507 -17.729 1.00 0.00 H new ATOM 795 N GLY A 56 7.596 3.621 -11.350 1.00 0.00 N ATOM 796 CA GLY A 56 6.235 4.064 -11.108 1.00 0.00 C ATOM 797 C GLY A 56 5.884 4.079 -9.634 1.00 0.00 C ATOM 798 O GLY A 56 6.726 4.392 -8.792 1.00 0.00 O ATOM 0 H GLY A 56 7.676 2.725 -11.831 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.103 5.065 -11.520 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.543 3.408 -11.636 1.00 0.00 H new ATOM 802 N ILE A 57 4.638 3.740 -9.320 1.00 0.00 N ATOM 803 CA ILE A 57 4.178 3.717 -7.937 1.00 0.00 C ATOM 804 C ILE A 57 4.563 2.410 -7.252 1.00 0.00 C ATOM 805 O ILE A 57 4.335 1.326 -7.789 1.00 0.00 O ATOM 806 CB ILE A 57 2.651 3.900 -7.848 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.241 5.245 -8.452 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.189 3.799 -6.403 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.744 5.418 -8.579 1.00 0.00 C ATOM 0 H ILE A 57 3.929 3.478 -10.005 1.00 0.00 H new ATOM 0 HA ILE A 57 4.665 4.549 -7.428 1.00 0.00 H new ATOM 0 HB ILE A 57 2.170 3.105 -8.419 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.640 6.049 -7.834 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.695 5.345 -9.438 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.108 3.930 -6.357 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.453 2.819 -6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.674 4.575 -5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.526 6.393 -9.014 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.341 4.635 -9.222 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.285 5.350 -7.593 1.00 0.00 H new ATOM 821 N TRP A 58 5.145 2.520 -6.064 1.00 0.00 N ATOM 822 CA TRP A 58 5.560 1.347 -5.304 1.00 0.00 C ATOM 823 C TRP A 58 4.807 1.260 -3.981 1.00 0.00 C ATOM 824 O TRP A 58 4.581 2.273 -3.318 1.00 0.00 O ATOM 825 CB TRP A 58 7.067 1.388 -5.046 1.00 0.00 C ATOM 826 CG TRP A 58 7.557 0.249 -4.203 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.067 -0.938 -4.646 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.579 0.189 -2.773 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.406 -1.732 -3.577 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.118 -1.063 -2.417 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.200 1.072 -1.758 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.283 -1.452 -1.091 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.364 0.684 -0.442 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.903 -0.568 -0.118 1.00 0.00 C ATOM 0 H TRP A 58 5.340 3.410 -5.606 1.00 0.00 H new ATOM 0 HA TRP A 58 5.323 0.461 -5.893 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.592 1.376 -6.001 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.319 2.328 -4.555 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.186 -1.212 -5.684 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.807 -2.668 -3.637 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.786 2.040 -1.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.696 -2.417 -0.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.072 1.357 0.350 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.021 -0.841 0.920 1.00 0.00 H new ATOM 845 N ARG A 59 4.421 0.046 -3.603 1.00 0.00 N ATOM 846 CA ARG A 59 3.693 -0.171 -2.359 1.00 0.00 C ATOM 847 C ARG A 59 4.483 -1.074 -1.417 1.00 0.00 C ATOM 848 O ARG A 59 5.381 -1.800 -1.843 1.00 0.00 O ATOM 849 CB ARG A 59 2.323 -0.789 -2.646 1.00 0.00 C ATOM 850 CG ARG A 59 1.167 0.182 -2.470 1.00 0.00 C ATOM 851 CD ARG A 59 -0.078 -0.522 -1.955 1.00 0.00 C ATOM 852 NE ARG A 59 -1.184 -0.444 -2.905 1.00 0.00 N ATOM 853 CZ ARG A 59 -2.361 -1.030 -2.714 1.00 0.00 C ATOM 854 NH1 ARG A 59 -2.583 -1.733 -1.613 1.00 0.00 N ATOM 855 NH2 ARG A 59 -3.318 -0.912 -3.626 1.00 0.00 N ATOM 0 H ARG A 59 4.600 -0.802 -4.140 1.00 0.00 H new ATOM 0 HA ARG A 59 3.554 0.796 -1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.313 -1.171 -3.667 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.173 -1.642 -1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.455 0.970 -1.774 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.946 0.663 -3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.154 -1.568 -1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.381 -0.075 -1.008 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.045 0.090 -3.763 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.850 -1.825 -0.910 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.487 -2.182 -1.468 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.150 -0.371 -4.474 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.221 -1.362 -3.479 1.00 0.00 H new ATOM 869 N CYS A 60 4.143 -1.024 -0.133 1.00 0.00 N ATOM 870 CA CYS A 60 4.820 -1.836 0.871 1.00 0.00 C ATOM 871 C CYS A 60 4.053 -3.129 1.131 1.00 0.00 C ATOM 872 O CYS A 60 2.857 -3.237 0.860 1.00 0.00 O ATOM 873 CB CYS A 60 4.973 -1.049 2.174 1.00 0.00 C ATOM 874 SG CYS A 60 3.451 -0.959 3.171 1.00 0.00 S ATOM 0 H CYS A 60 3.402 -0.429 0.237 1.00 0.00 H new ATOM 0 HA CYS A 60 5.809 -2.091 0.491 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.760 -1.507 2.773 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.301 -0.036 1.938 1.00 0.00 H new ATOM 0 HG CYS A 60 3.258 0.267 3.559 1.00 0.00 H new ATOM 879 N PRO A 61 4.757 -4.136 1.670 1.00 0.00 N ATOM 880 CA PRO A 61 4.164 -5.440 1.980 1.00 0.00 C ATOM 881 C PRO A 61 3.185 -5.369 3.148 1.00 0.00 C ATOM 882 O PRO A 61 2.287 -6.202 3.270 1.00 0.00 O ATOM 883 CB PRO A 61 5.374 -6.302 2.348 1.00 0.00 C ATOM 884 CG PRO A 61 6.400 -5.331 2.822 1.00 0.00 C ATOM 885 CD PRO A 61 6.187 -4.078 2.019 1.00 0.00 C ATOM 0 HA PRO A 61 3.583 -5.832 1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.124 -7.025 3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.732 -6.869 1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.288 -5.135 3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.406 -5.723 2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.424 -3.185 2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.817 -4.058 1.130 1.00 0.00 H new ATOM 893 N LYS A 62 3.365 -4.369 4.004 1.00 0.00 N ATOM 894 CA LYS A 62 2.497 -4.187 5.161 1.00 0.00 C ATOM 895 C LYS A 62 1.107 -3.728 4.733 1.00 0.00 C ATOM 896 O LYS A 62 0.143 -3.844 5.490 1.00 0.00 O ATOM 897 CB LYS A 62 3.107 -3.168 6.127 1.00 0.00 C ATOM 898 CG LYS A 62 3.812 -3.801 7.314 1.00 0.00 C ATOM 899 CD LYS A 62 3.373 -3.171 8.625 1.00 0.00 C ATOM 900 CE LYS A 62 4.228 -3.650 9.788 1.00 0.00 C ATOM 901 NZ LYS A 62 3.729 -3.134 11.092 1.00 0.00 N ATOM 0 H LYS A 62 4.105 -3.672 3.918 1.00 0.00 H new ATOM 0 HA LYS A 62 2.403 -5.148 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.817 -2.545 5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.319 -2.509 6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.602 -4.870 7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.890 -3.690 7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.437 -2.086 8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.328 -3.416 8.815 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.236 -4.740 9.808 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.258 -3.326 9.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.338 -3.483 11.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.745 -2.094 11.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.755 -3.464 11.246 1.00 0.00 H new ATOM 915 N CYS A 63 1.010 -3.207 3.514 1.00 0.00 N ATOM 916 CA CYS A 63 -0.262 -2.732 2.984 1.00 0.00 C ATOM 917 C CYS A 63 -0.846 -3.734 1.992 1.00 0.00 C ATOM 918 O CYS A 63 -2.048 -4.003 2.002 1.00 0.00 O ATOM 919 CB CYS A 63 -0.079 -1.373 2.304 1.00 0.00 C ATOM 920 SG CYS A 63 -0.042 0.036 3.459 1.00 0.00 S ATOM 0 H CYS A 63 1.798 -3.103 2.875 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.957 -2.624 3.817 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.850 -1.386 1.733 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.889 -1.223 1.591 1.00 0.00 H new ATOM 0 HG CYS A 63 1.183 0.447 3.603 1.00 0.00 H new ATOM 925 N ILE A 64 0.012 -4.282 1.138 1.00 0.00 N ATOM 926 CA ILE A 64 -0.419 -5.255 0.142 1.00 0.00 C ATOM 927 C ILE A 64 -0.889 -6.546 0.802 1.00 0.00 C ATOM 928 O ILE A 64 -1.932 -7.096 0.444 1.00 0.00 O ATOM 929 CB ILE A 64 0.711 -5.581 -0.852 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.188 -4.307 -1.552 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.240 -6.608 -1.871 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.561 -4.437 -2.175 1.00 0.00 C ATOM 0 H ILE A 64 1.009 -4.069 1.116 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.250 -4.804 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 64 1.550 -6.005 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.470 -4.038 -2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.201 -3.489 -0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.050 -6.828 -2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.055 -7.522 -1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.613 -6.210 -2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.834 -3.496 -2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.291 -4.676 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.549 -5.233 -2.920 1.00 0.00 H new ATOM 944 N LEU A 65 -0.115 -7.026 1.769 1.00 0.00 N ATOM 945 CA LEU A 65 -0.453 -8.253 2.482 1.00 0.00 C ATOM 946 C LEU A 65 -1.736 -8.079 3.289 1.00 0.00 C ATOM 947 O LEU A 65 -2.357 -9.056 3.704 1.00 0.00 O ATOM 948 CB LEU A 65 0.694 -8.659 3.409 1.00 0.00 C ATOM 949 CG LEU A 65 2.010 -9.032 2.725 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.123 -9.177 3.751 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.850 -10.317 1.925 1.00 0.00 C ATOM 0 H LEU A 65 0.751 -6.584 2.077 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.613 -9.040 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.886 -7.837 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.366 -9.508 4.009 1.00 0.00 H new ATOM 0 HG LEU A 65 2.279 -8.230 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.051 -9.443 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.255 -8.233 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.861 -9.959 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.796 -10.567 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.556 -11.127 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.083 -10.178 1.163 1.00 0.00 H new ATOM 963 N ALA A 66 -2.128 -6.827 3.504 1.00 0.00 N ATOM 964 CA ALA A 66 -3.339 -6.525 4.256 1.00 0.00 C ATOM 965 C ALA A 66 -4.531 -6.336 3.325 1.00 0.00 C ATOM 966 O ALA A 66 -5.651 -6.732 3.647 1.00 0.00 O ATOM 967 CB ALA A 66 -3.133 -5.283 5.112 1.00 0.00 C ATOM 0 H ALA A 66 -1.624 -6.006 3.168 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.552 -7.372 4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.046 -5.069 5.668 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.314 -5.454 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.892 -4.435 4.471 1.00 0.00 H new ATOM 973 N GLU A 67 -4.283 -5.728 2.169 1.00 0.00 N ATOM 974 CA GLU A 67 -5.338 -5.486 1.192 1.00 0.00 C ATOM 975 C GLU A 67 -5.648 -6.753 0.400 1.00 0.00 C ATOM 976 O GLU A 67 -6.762 -6.933 -0.093 1.00 0.00 O ATOM 977 CB GLU A 67 -4.931 -4.362 0.237 1.00 0.00 C ATOM 978 CG GLU A 67 -4.693 -3.031 0.929 1.00 0.00 C ATOM 979 CD GLU A 67 -5.741 -1.994 0.575 1.00 0.00 C ATOM 980 OE1 GLU A 67 -6.916 -2.183 0.954 1.00 0.00 O ATOM 981 OE2 GLU A 67 -5.386 -0.992 -0.081 1.00 0.00 O ATOM 0 H GLU A 67 -3.361 -5.394 1.886 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.236 -5.187 1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.023 -4.655 -0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.710 -4.236 -0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.688 -3.183 2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.707 -2.654 0.655 1.00 0.00 H new ATOM 988 N CYS A 68 -4.655 -7.628 0.284 1.00 0.00 N ATOM 989 CA CYS A 68 -4.820 -8.879 -0.449 1.00 0.00 C ATOM 990 C CYS A 68 -6.046 -9.641 0.046 1.00 0.00 C ATOM 991 O CYS A 68 -6.681 -10.374 -0.711 1.00 0.00 O ATOM 992 CB CYS A 68 -3.571 -9.748 -0.302 1.00 0.00 C ATOM 993 SG CYS A 68 -3.495 -11.132 -1.463 1.00 0.00 S ATOM 0 H CYS A 68 -3.728 -7.495 0.688 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.965 -8.639 -1.502 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.688 -9.123 -0.439 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.530 -10.138 0.715 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.402 -11.807 -1.263 1.00 0.00 H new