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= 0.917 USER MOD Set 1.2: A 37 CYS SG : rot -51:sc= 0.342 USER MOD Set 1.3: A 60 CYS SG : rot -133:sc= 0.428 USER MOD Set 1.4: A 63 CYS SG : rot 104:sc= 0.228 USER MOD Set 2.1: A 19 CYS SG : rot 149:sc= 0.342 USER MOD Set 2.2: A 22 CYS SG : rot -55:sc= -0.111 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -3.11 X(o=-2.8,f=-3.2) USER MOD Set 2.4: A 45 CYS SG : rot 133:sc= 0.039 USER MOD Single : A 16 SER OG : rot 18:sc= 0.542 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0528 K(o=-0.053,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -0.0649 (180deg=-0.427) USER MOD Single : A 40 ASN : amide:sc= -1.84 K(o=-1.8,f=-3.3) 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 10.962 13.405 8.921 1.00 0.00 N ATOM 184 CA SER A 16 12.019 12.617 8.299 1.00 0.00 C ATOM 185 C SER A 16 11.495 11.254 7.860 1.00 0.00 C ATOM 186 O SER A 16 10.350 10.897 8.140 1.00 0.00 O ATOM 187 CB SER A 16 13.189 12.439 9.269 1.00 0.00 C ATOM 188 OG SER A 16 13.335 13.573 10.106 1.00 0.00 O ATOM 0 HA SER A 16 12.366 13.154 7.416 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.027 11.551 9.880 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.109 12.277 8.708 1.00 0.00 H new ATOM 0 HG SER A 16 12.509 14.100 10.090 1.00 0.00 H new ATOM 194 N TYR A 17 12.341 10.496 7.171 1.00 0.00 N ATOM 195 CA TYR A 17 11.963 9.172 6.691 1.00 0.00 C ATOM 196 C TYR A 17 12.844 8.094 7.315 1.00 0.00 C ATOM 197 O TYR A 17 14.043 8.024 7.045 1.00 0.00 O ATOM 198 CB TYR A 17 12.066 9.111 5.166 1.00 0.00 C ATOM 199 CG TYR A 17 11.458 10.307 4.470 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.187 10.758 4.805 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.153 10.986 3.477 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.627 11.850 4.171 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.601 12.080 2.839 1.00 0.00 C ATOM 204 CZ TYR A 17 10.338 12.508 3.189 1.00 0.00 C ATOM 205 OH TYR A 17 9.784 13.596 2.555 1.00 0.00 O ATOM 0 H TYR A 17 13.293 10.776 6.933 1.00 0.00 H new ATOM 0 HA TYR A 17 10.930 8.987 6.987 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.116 9.032 4.884 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.572 8.206 4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.628 10.246 5.574 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.142 10.653 3.199 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.638 12.187 4.443 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.156 12.597 2.070 1.00 0.00 H new ATOM 0 HH TYR A 17 10.415 13.944 1.891 1.00 0.00 H new ATOM 215 N ILE A 18 12.240 7.256 8.151 1.00 0.00 N ATOM 216 CA ILE A 18 12.968 6.180 8.812 1.00 0.00 C ATOM 217 C ILE A 18 12.445 4.815 8.380 1.00 0.00 C ATOM 218 O ILE A 18 11.241 4.557 8.423 1.00 0.00 O ATOM 219 CB ILE A 18 12.870 6.293 10.345 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.184 7.722 10.794 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.814 5.304 11.011 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.553 8.203 10.367 1.00 0.00 C ATOM 0 H ILE A 18 11.249 7.302 8.387 1.00 0.00 H new ATOM 0 HA ILE A 18 14.012 6.277 8.514 1.00 0.00 H new ATOM 0 HB ILE A 18 11.851 6.052 10.647 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.429 8.396 10.389 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.111 7.777 11.880 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.733 5.396 12.094 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.548 4.290 10.712 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.838 5.516 10.705 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.707 9.223 10.720 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.317 7.553 10.794 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.624 8.181 9.280 1.00 0.00 H new ATOM 234 N CYS A 19 13.356 3.942 7.964 1.00 0.00 N ATOM 235 CA CYS A 19 12.988 2.602 7.525 1.00 0.00 C ATOM 236 C CYS A 19 12.124 1.905 8.571 1.00 0.00 C ATOM 237 O CYS A 19 12.197 2.219 9.759 1.00 0.00 O ATOM 238 CB CYS A 19 14.243 1.771 7.248 1.00 0.00 C ATOM 239 SG CYS A 19 13.924 0.223 6.341 1.00 0.00 S ATOM 0 H CYS A 19 14.356 4.139 7.922 1.00 0.00 H new ATOM 0 HA CYS A 19 12.410 2.694 6.605 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.948 2.376 6.677 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.724 1.532 8.196 1.00 0.00 H new ATOM 0 HG CYS A 19 14.952 -0.065 5.599 1.00 0.00 H new ATOM 244 N GLN A 20 11.308 0.957 8.121 1.00 0.00 N ATOM 245 CA GLN A 20 10.429 0.216 9.018 1.00 0.00 C ATOM 246 C GLN A 20 10.918 -1.217 9.197 1.00 0.00 C ATOM 247 O GLN A 20 10.147 -2.106 9.559 1.00 0.00 O ATOM 248 CB GLN A 20 8.997 0.217 8.480 1.00 0.00 C ATOM 249 CG GLN A 20 8.195 1.442 8.887 1.00 0.00 C ATOM 250 CD GLN A 20 7.730 1.383 10.328 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.731 0.321 10.950 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.328 2.528 10.868 1.00 0.00 N ATOM 0 H GLN A 20 11.237 0.684 7.141 1.00 0.00 H new ATOM 0 HA GLN A 20 10.443 0.709 9.990 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.026 0.157 7.392 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.484 -0.677 8.834 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.804 2.335 8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.328 1.538 8.233 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.344 3.386 10.316 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.004 2.550 11.835 1.00 0.00 H new ATOM 261 N VAL A 21 12.203 -1.436 8.940 1.00 0.00 N ATOM 262 CA VAL A 21 12.795 -2.762 9.073 1.00 0.00 C ATOM 263 C VAL A 21 14.092 -2.707 9.873 1.00 0.00 C ATOM 264 O VAL A 21 14.344 -3.558 10.727 1.00 0.00 O ATOM 265 CB VAL A 21 13.081 -3.390 7.696 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.724 -4.759 7.856 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.801 -3.485 6.879 1.00 0.00 C ATOM 0 H VAL A 21 12.855 -0.712 8.638 1.00 0.00 H new ATOM 0 HA VAL A 21 12.070 -3.380 9.603 1.00 0.00 H new ATOM 0 HB VAL A 21 13.780 -2.748 7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.919 -5.187 6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.663 -4.659 8.400 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.052 -5.414 8.410 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.021 -3.931 5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.077 -4.105 7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.387 -2.487 6.734 1.00 0.00 H new ATOM 277 N CYS A 22 14.912 -1.700 9.592 1.00 0.00 N ATOM 278 CA CYS A 22 16.184 -1.533 10.284 1.00 0.00 C ATOM 279 C CYS A 22 16.191 -0.247 11.106 1.00 0.00 C ATOM 280 O CYS A 22 17.023 -0.071 11.996 1.00 0.00 O ATOM 281 CB CYS A 22 17.338 -1.515 9.279 1.00 0.00 C ATOM 282 SG CYS A 22 17.282 -0.122 8.107 1.00 0.00 S ATOM 0 H CYS A 22 14.718 -0.987 8.889 1.00 0.00 H new ATOM 0 HA CYS A 22 16.314 -2.377 10.961 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.281 -1.479 9.825 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.331 -2.449 8.717 1.00 0.00 H new ATOM 0 HG CYS A 22 16.132 -0.111 7.501 1.00 0.00 H new ATOM 287 N SER A 23 15.258 0.649 10.800 1.00 0.00 N ATOM 288 CA SER A 23 15.158 1.920 11.507 1.00 0.00 C ATOM 289 C SER A 23 16.404 2.770 11.276 1.00 0.00 C ATOM 290 O SER A 23 17.145 3.071 12.212 1.00 0.00 O ATOM 291 CB SER A 23 14.961 1.681 13.005 1.00 0.00 C ATOM 292 OG SER A 23 14.028 0.639 13.237 1.00 0.00 O ATOM 0 H SER A 23 14.561 0.518 10.067 1.00 0.00 H new ATOM 0 HA SER A 23 14.294 2.458 11.115 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.916 1.427 13.465 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.612 2.598 13.480 1.00 0.00 H new ATOM 0 HG SER A 23 13.921 0.505 14.202 1.00 0.00 H new ATOM 298 N ARG A 24 16.628 3.151 10.023 1.00 0.00 N ATOM 299 CA ARG A 24 17.785 3.965 9.667 1.00 0.00 C ATOM 300 C ARG A 24 17.351 5.247 8.963 1.00 0.00 C ATOM 301 O ARG A 24 16.161 5.486 8.763 1.00 0.00 O ATOM 302 CB ARG A 24 18.735 3.172 8.768 1.00 0.00 C ATOM 303 CG ARG A 24 19.711 2.296 9.535 1.00 0.00 C ATOM 304 CD ARG A 24 20.772 3.129 10.239 1.00 0.00 C ATOM 305 NE ARG A 24 21.488 2.359 11.252 1.00 0.00 N ATOM 306 CZ ARG A 24 22.665 2.718 11.753 1.00 0.00 C ATOM 307 NH1 ARG A 24 23.254 3.831 11.336 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.255 1.965 12.672 1.00 0.00 N ATOM 0 H ARG A 24 16.024 2.909 9.237 1.00 0.00 H new ATOM 0 HA ARG A 24 18.306 4.234 10.586 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.148 2.545 8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.297 3.868 8.145 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.168 1.701 10.269 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.191 1.597 8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.481 3.509 9.504 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.302 3.995 10.706 1.00 0.00 H new ATOM 0 HE ARG A 24 21.061 1.498 11.594 1.00 0.00 H new ATOM 0 HH11 ARG A 24 22.803 4.413 10.630 1.00 0.00 H new ATOM 0 HH12 ARG A 24 24.158 4.105 11.722 1.00 0.00 H new ATOM 0 HH21 ARG A 24 22.805 1.109 12.995 1.00 0.00 H new ATOM 0 HH22 ARG A 24 24.159 2.242 13.055 1.00 0.00 H new ATOM 322 N GLY A 25 18.327 6.070 8.590 1.00 0.00 N ATOM 323 CA GLY A 25 18.026 7.318 7.913 1.00 0.00 C ATOM 324 C GLY A 25 19.010 7.626 6.802 1.00 0.00 C ATOM 325 O GLY A 25 18.622 8.100 5.733 1.00 0.00 O ATOM 0 H GLY A 25 19.320 5.895 8.745 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.019 7.270 7.499 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.034 8.132 8.638 1.00 0.00 H new ATOM 329 N ASP A 26 20.287 7.360 7.054 1.00 0.00 N ATOM 330 CA ASP A 26 21.330 7.612 6.066 1.00 0.00 C ATOM 331 C ASP A 26 21.068 6.826 4.785 1.00 0.00 C ATOM 332 O ASP A 26 21.559 7.184 3.715 1.00 0.00 O ATOM 333 CB ASP A 26 22.701 7.243 6.635 1.00 0.00 C ATOM 334 CG ASP A 26 23.729 8.337 6.425 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.609 9.396 7.073 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.655 8.133 5.610 1.00 0.00 O ATOM 0 H ASP A 26 20.625 6.970 7.934 1.00 0.00 H new ATOM 0 HA ASP A 26 21.319 8.675 5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.605 7.038 7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.051 6.324 6.164 1.00 0.00 H new ATOM 341 N GLU A 27 20.293 5.753 4.904 1.00 0.00 N ATOM 342 CA GLU A 27 19.968 4.915 3.756 1.00 0.00 C ATOM 343 C GLU A 27 18.791 5.494 2.976 1.00 0.00 C ATOM 344 O GLU A 27 18.364 4.932 1.967 1.00 0.00 O ATOM 345 CB GLU A 27 19.642 3.491 4.211 1.00 0.00 C ATOM 346 CG GLU A 27 20.872 2.624 4.424 1.00 0.00 C ATOM 347 CD GLU A 27 21.632 2.362 3.139 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.037 2.532 2.054 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.820 1.988 3.217 1.00 0.00 O ATOM 0 H GLU A 27 19.879 5.444 5.783 1.00 0.00 H new ATOM 0 HA GLU A 27 20.838 4.888 3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.074 3.536 5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 27 18.999 3.019 3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.534 3.110 5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.570 1.673 4.863 1.00 0.00 H new ATOM 356 N ASP A 28 18.270 6.619 3.452 1.00 0.00 N ATOM 357 CA ASP A 28 17.142 7.275 2.801 1.00 0.00 C ATOM 358 C ASP A 28 17.399 7.441 1.306 1.00 0.00 C ATOM 359 O ASP A 28 16.464 7.480 0.506 1.00 0.00 O ATOM 360 CB ASP A 28 16.880 8.640 3.439 1.00 0.00 C ATOM 361 CG ASP A 28 18.028 9.608 3.230 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.190 9.208 3.453 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.764 10.765 2.842 1.00 0.00 O ATOM 0 H ASP A 28 18.611 7.096 4.287 1.00 0.00 H new ATOM 0 HA ASP A 28 16.262 6.645 2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.969 9.065 3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.708 8.511 4.508 1.00 0.00 H new ATOM 368 N ASP A 29 18.671 7.538 0.937 1.00 0.00 N ATOM 369 CA ASP A 29 19.052 7.699 -0.462 1.00 0.00 C ATOM 370 C ASP A 29 18.390 6.634 -1.331 1.00 0.00 C ATOM 371 O ASP A 29 18.132 6.855 -2.515 1.00 0.00 O ATOM 372 CB ASP A 29 20.572 7.624 -0.611 1.00 0.00 C ATOM 373 CG ASP A 29 21.194 8.978 -0.890 1.00 0.00 C ATOM 374 OD1 ASP A 29 20.765 9.969 -0.263 1.00 0.00 O ATOM 375 OD2 ASP A 29 22.110 9.047 -1.736 1.00 0.00 O ATOM 0 H ASP A 29 19.456 7.508 1.587 1.00 0.00 H new ATOM 0 HA ASP A 29 18.710 8.679 -0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.003 7.210 0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.821 6.939 -1.421 1.00 0.00 H new ATOM 380 N LYS A 30 18.117 5.477 -0.736 1.00 0.00 N ATOM 381 CA LYS A 30 17.485 4.377 -1.455 1.00 0.00 C ATOM 382 C LYS A 30 16.204 3.935 -0.754 1.00 0.00 C ATOM 383 O LYS A 30 15.840 2.759 -0.790 1.00 0.00 O ATOM 384 CB LYS A 30 18.450 3.195 -1.571 1.00 0.00 C ATOM 385 CG LYS A 30 19.522 3.387 -2.630 1.00 0.00 C ATOM 386 CD LYS A 30 20.482 2.210 -2.671 1.00 0.00 C ATOM 387 CE LYS A 30 20.751 1.759 -4.098 1.00 0.00 C ATOM 388 NZ LYS A 30 21.153 2.895 -4.973 1.00 0.00 N ATOM 0 H LYS A 30 18.324 5.277 0.243 1.00 0.00 H new ATOM 0 HA LYS A 30 17.229 4.728 -2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.930 3.032 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.882 2.294 -1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.053 3.509 -3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.076 4.303 -2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.421 2.489 -2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.067 1.381 -2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.538 1.005 -4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.857 1.287 -4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.731 2.539 -5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.303 3.360 -5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.706 3.581 -4.420 1.00 0.00 H new ATOM 402 N LEU A 31 15.524 4.883 -0.120 1.00 0.00 N ATOM 403 CA LEU A 31 14.282 4.591 0.588 1.00 0.00 C ATOM 404 C LEU A 31 13.087 4.664 -0.357 1.00 0.00 C ATOM 405 O LEU A 31 13.020 5.537 -1.224 1.00 0.00 O ATOM 406 CB LEU A 31 14.091 5.570 1.747 1.00 0.00 C ATOM 407 CG LEU A 31 14.287 4.995 3.150 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.056 6.067 4.204 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.355 3.813 3.377 1.00 0.00 C ATOM 0 H LEU A 31 15.811 5.861 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 31 14.347 3.577 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.787 6.398 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.085 5.985 1.683 1.00 0.00 H new ATOM 0 HG LEU A 31 15.315 4.644 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.200 5.639 5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.763 6.883 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.039 6.449 4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.508 3.416 4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.321 4.139 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.568 3.036 2.643 1.00 0.00 H new ATOM 421 N LEU A 32 12.145 3.744 -0.183 1.00 0.00 N ATOM 422 CA LEU A 32 10.950 3.705 -1.019 1.00 0.00 C ATOM 423 C LEU A 32 9.752 4.299 -0.284 1.00 0.00 C ATOM 424 O LEU A 32 9.714 4.320 0.946 1.00 0.00 O ATOM 425 CB LEU A 32 10.644 2.267 -1.439 1.00 0.00 C ATOM 426 CG LEU A 32 11.521 1.691 -2.551 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.925 1.416 -2.035 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.901 0.421 -3.116 1.00 0.00 C ATOM 0 H LEU A 32 12.185 3.015 0.529 1.00 0.00 H new ATOM 0 HA LEU A 32 11.140 4.304 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.737 1.626 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.604 2.218 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 32 11.588 2.427 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.535 1.006 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.370 2.345 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.877 0.699 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.539 0.025 -3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.803 -0.320 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.916 0.647 -3.524 1.00 0.00 H new ATOM 440 N PHE A 33 8.775 4.777 -1.047 1.00 0.00 N ATOM 441 CA PHE A 33 7.574 5.370 -0.468 1.00 0.00 C ATOM 442 C PHE A 33 6.330 4.588 -0.878 1.00 0.00 C ATOM 443 O PHE A 33 6.109 4.325 -2.061 1.00 0.00 O ATOM 444 CB PHE A 33 7.440 6.830 -0.905 1.00 0.00 C ATOM 445 CG PHE A 33 8.716 7.613 -0.782 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.399 7.664 0.422 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.232 8.297 -1.871 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.573 8.384 0.538 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.406 9.019 -1.761 1.00 0.00 C ATOM 450 CZ PHE A 33 11.078 9.061 -0.556 1.00 0.00 C ATOM 0 H PHE A 33 8.791 4.766 -2.067 1.00 0.00 H new ATOM 0 HA PHE A 33 7.665 5.330 0.617 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.103 6.861 -1.941 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.669 7.311 -0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.010 7.135 1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.711 8.266 -2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.095 8.418 1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.797 9.549 -2.617 1.00 0.00 H new ATOM 0 HZ PHE A 33 11.997 9.622 -0.468 1.00 0.00 H new ATOM 460 N CYS A 34 5.520 4.218 0.108 1.00 0.00 N ATOM 461 CA CYS A 34 4.298 3.465 -0.147 1.00 0.00 C ATOM 462 C CYS A 34 3.158 4.397 -0.548 1.00 0.00 C ATOM 463 O CYS A 34 2.995 5.476 0.022 1.00 0.00 O ATOM 464 CB CYS A 34 3.902 2.659 1.092 1.00 0.00 C ATOM 465 SG CYS A 34 2.268 1.862 0.969 1.00 0.00 S ATOM 0 H CYS A 34 5.688 4.428 1.092 1.00 0.00 H new ATOM 0 HA CYS A 34 4.489 2.779 -0.972 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.656 1.892 1.270 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.908 3.319 1.959 1.00 0.00 H new ATOM 0 HG CYS A 34 2.272 0.756 1.652 1.00 0.00 H new ATOM 470 N ASP A 35 2.372 3.973 -1.531 1.00 0.00 N ATOM 471 CA ASP A 35 1.247 4.768 -2.007 1.00 0.00 C ATOM 472 C ASP A 35 -0.030 4.409 -1.254 1.00 0.00 C ATOM 473 O ASP A 35 -1.087 4.224 -1.855 1.00 0.00 O ATOM 474 CB ASP A 35 1.044 4.557 -3.509 1.00 0.00 C ATOM 475 CG ASP A 35 0.009 5.498 -4.092 1.00 0.00 C ATOM 476 OD1 ASP A 35 0.213 6.728 -4.012 1.00 0.00 O ATOM 477 OD2 ASP A 35 -1.005 5.005 -4.628 1.00 0.00 O ATOM 0 H ASP A 35 2.493 3.083 -2.014 1.00 0.00 H new ATOM 0 HA ASP A 35 1.473 5.818 -1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.993 4.702 -4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.737 3.527 -3.690 1.00 0.00 H new ATOM 482 N GLY A 36 0.077 4.310 0.068 1.00 0.00 N ATOM 483 CA GLY A 36 -1.076 3.972 0.882 1.00 0.00 C ATOM 484 C GLY A 36 -0.911 4.398 2.327 1.00 0.00 C ATOM 485 O GLY A 36 -1.861 4.860 2.959 1.00 0.00 O ATOM 0 H GLY A 36 0.941 4.458 0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.963 4.448 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.243 2.896 0.841 1.00 0.00 H new ATOM 489 N CYS A 37 0.299 4.242 2.854 1.00 0.00 N ATOM 490 CA CYS A 37 0.587 4.612 4.234 1.00 0.00 C ATOM 491 C CYS A 37 1.766 5.578 4.304 1.00 0.00 C ATOM 492 O CYS A 37 2.135 6.046 5.381 1.00 0.00 O ATOM 493 CB CYS A 37 0.886 3.364 5.067 1.00 0.00 C ATOM 494 SG CYS A 37 2.395 2.477 4.561 1.00 0.00 S ATOM 0 H CYS A 37 1.097 3.861 2.345 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.293 5.110 4.641 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.981 3.653 6.114 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.037 2.683 5.000 1.00 0.00 H new ATOM 0 HG CYS A 37 2.357 2.252 3.281 1.00 0.00 H new ATOM 499 N ASP A 38 2.352 5.872 3.149 1.00 0.00 N ATOM 500 CA ASP A 38 3.489 6.783 3.078 1.00 0.00 C ATOM 501 C ASP A 38 4.576 6.374 4.066 1.00 0.00 C ATOM 502 O ASP A 38 4.975 7.159 4.926 1.00 0.00 O ATOM 503 CB ASP A 38 3.038 8.217 3.361 1.00 0.00 C ATOM 504 CG ASP A 38 4.156 9.224 3.169 1.00 0.00 C ATOM 505 OD1 ASP A 38 5.002 9.006 2.278 1.00 0.00 O ATOM 506 OD2 ASP A 38 4.184 10.228 3.910 1.00 0.00 O ATOM 0 H ASP A 38 2.059 5.493 2.249 1.00 0.00 H new ATOM 0 HA ASP A 38 3.902 6.732 2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.208 8.470 2.702 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.665 8.283 4.383 1.00 0.00 H new ATOM 511 N ASP A 39 5.051 5.140 3.937 1.00 0.00 N ATOM 512 CA ASP A 39 6.092 4.625 4.819 1.00 0.00 C ATOM 513 C ASP A 39 7.448 4.627 4.118 1.00 0.00 C ATOM 514 O ASP A 39 7.559 5.032 2.962 1.00 0.00 O ATOM 515 CB ASP A 39 5.746 3.209 5.281 1.00 0.00 C ATOM 516 CG ASP A 39 4.921 3.201 6.553 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.454 4.284 6.965 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.742 2.112 7.136 1.00 0.00 O ATOM 0 H ASP A 39 4.732 4.478 3.230 1.00 0.00 H new ATOM 0 HA ASP A 39 6.151 5.278 5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.196 2.696 4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.666 2.648 5.445 1.00 0.00 H new ATOM 523 N ASN A 40 8.476 4.174 4.828 1.00 0.00 N ATOM 524 CA ASN A 40 9.824 4.125 4.275 1.00 0.00 C ATOM 525 C ASN A 40 10.387 2.709 4.338 1.00 0.00 C ATOM 526 O ASN A 40 10.480 2.113 5.412 1.00 0.00 O ATOM 527 CB ASN A 40 10.743 5.086 5.032 1.00 0.00 C ATOM 528 CG ASN A 40 10.019 6.335 5.495 1.00 0.00 C ATOM 529 OD1 ASN A 40 9.996 6.647 6.686 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.422 7.056 4.553 1.00 0.00 N ATOM 0 H ASN A 40 8.401 3.836 5.787 1.00 0.00 H new ATOM 0 HA ASN A 40 9.772 4.430 3.230 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.167 4.574 5.896 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.576 5.370 4.389 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.918 7.907 4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.467 6.759 3.578 1.00 0.00 H new ATOM 537 N TYR A 41 10.762 2.175 3.181 1.00 0.00 N ATOM 538 CA TYR A 41 11.315 0.828 3.104 1.00 0.00 C ATOM 539 C TYR A 41 12.483 0.773 2.124 1.00 0.00 C ATOM 540 O TYR A 41 12.395 1.283 1.006 1.00 0.00 O ATOM 541 CB TYR A 41 10.233 -0.167 2.681 1.00 0.00 C ATOM 542 CG TYR A 41 9.199 -0.429 3.753 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.387 -1.432 4.696 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.034 0.325 3.822 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.445 -1.676 5.677 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.088 0.089 4.800 1.00 0.00 C ATOM 547 CZ TYR A 41 7.298 -0.913 5.725 1.00 0.00 C ATOM 548 OH TYR A 41 6.357 -1.152 6.700 1.00 0.00 O ATOM 0 H TYR A 41 10.693 2.654 2.283 1.00 0.00 H new ATOM 0 HA TYR A 41 11.682 0.557 4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.732 0.211 1.790 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.706 -1.110 2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.285 -2.031 4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.865 1.109 3.099 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.606 -2.460 6.402 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.189 0.686 4.841 1.00 0.00 H new ATOM 0 HH TYR A 41 5.610 -0.527 6.594 1.00 0.00 H new ATOM 558 N HIS A 42 13.577 0.151 2.551 1.00 0.00 N ATOM 559 CA HIS A 42 14.763 0.027 1.711 1.00 0.00 C ATOM 560 C HIS A 42 14.583 -1.078 0.676 1.00 0.00 C ATOM 561 O HIS A 42 13.535 -1.722 0.617 1.00 0.00 O ATOM 562 CB HIS A 42 15.995 -0.259 2.571 1.00 0.00 C ATOM 563 CG HIS A 42 16.343 0.856 3.508 1.00 0.00 C ATOM 564 ND1 HIS A 42 16.985 0.655 4.712 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.138 2.191 3.411 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.157 1.817 5.316 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.653 2.765 4.547 1.00 0.00 N ATOM 0 H HIS A 42 13.667 -0.275 3.473 1.00 0.00 H new ATOM 0 HA HIS A 42 14.907 0.972 1.186 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.822 -1.167 3.148 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.846 -0.453 1.919 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.659 2.708 2.593 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.629 1.966 6.276 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.647 3.762 4.762 1.00 0.00 H new ATOM 575 N ILE A 43 15.611 -1.292 -0.139 1.00 0.00 N ATOM 576 CA ILE A 43 15.566 -2.320 -1.172 1.00 0.00 C ATOM 577 C ILE A 43 16.209 -3.615 -0.687 1.00 0.00 C ATOM 578 O ILE A 43 16.010 -4.678 -1.276 1.00 0.00 O ATOM 579 CB ILE A 43 16.275 -1.857 -2.458 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.746 -1.551 -2.173 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.577 -0.635 -3.037 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.584 -1.395 -3.423 1.00 0.00 C ATOM 0 H ILE A 43 16.485 -0.767 -0.104 1.00 0.00 H new ATOM 0 HA ILE A 43 14.514 -2.500 -1.392 1.00 0.00 H new ATOM 0 HB ILE A 43 16.226 -2.661 -3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.811 -0.635 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.164 -2.352 -1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 43 16.090 -0.320 -3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.542 -0.884 -3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.598 0.175 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.616 -1.179 -3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.550 -2.318 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.191 -0.575 -4.024 1.00 0.00 H new ATOM 594 N PHE A 44 16.981 -3.518 0.390 1.00 0.00 N ATOM 595 CA PHE A 44 17.654 -4.682 0.955 1.00 0.00 C ATOM 596 C PHE A 44 17.048 -5.059 2.304 1.00 0.00 C ATOM 597 O PHE A 44 17.629 -5.835 3.063 1.00 0.00 O ATOM 598 CB PHE A 44 19.150 -4.405 1.115 1.00 0.00 C ATOM 599 CG PHE A 44 19.449 -3.082 1.759 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.553 -1.931 0.993 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.626 -2.988 3.130 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.829 -0.712 1.583 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.902 -1.771 3.726 1.00 0.00 C ATOM 604 CZ PHE A 44 20.003 -0.632 2.951 1.00 0.00 C ATOM 0 H PHE A 44 17.156 -2.646 0.889 1.00 0.00 H new ATOM 0 HA PHE A 44 17.518 -5.518 0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.597 -5.200 1.712 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.624 -4.438 0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.417 -1.988 -0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.548 -3.876 3.740 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.909 0.177 0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.038 -1.711 4.796 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.218 0.320 3.414 1.00 0.00 H new ATOM 614 N CYS A 45 15.877 -4.504 2.596 1.00 0.00 N ATOM 615 CA CYS A 45 15.191 -4.779 3.853 1.00 0.00 C ATOM 616 C CYS A 45 13.921 -5.590 3.613 1.00 0.00 C ATOM 617 O CYS A 45 13.438 -6.288 4.506 1.00 0.00 O ATOM 618 CB CYS A 45 14.847 -3.471 4.567 1.00 0.00 C ATOM 619 SG CYS A 45 16.247 -2.722 5.462 1.00 0.00 S ATOM 0 H CYS A 45 15.382 -3.860 1.978 1.00 0.00 H new ATOM 0 HA CYS A 45 15.861 -5.364 4.484 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.474 -2.756 3.833 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.036 -3.656 5.272 1.00 0.00 H new ATOM 0 HG CYS A 45 16.317 -1.456 5.177 1.00 0.00 H new ATOM 624 N LEU A 46 13.384 -5.493 2.402 1.00 0.00 N ATOM 625 CA LEU A 46 12.169 -6.217 2.043 1.00 0.00 C ATOM 626 C LEU A 46 12.438 -7.715 1.942 1.00 0.00 C ATOM 627 O LEU A 46 13.503 -8.194 2.335 1.00 0.00 O ATOM 628 CB LEU A 46 11.615 -5.697 0.716 1.00 0.00 C ATOM 629 CG LEU A 46 11.559 -4.177 0.562 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.376 -3.794 -0.899 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.438 -3.595 1.412 1.00 0.00 C ATOM 0 H LEU A 46 13.771 -4.920 1.652 1.00 0.00 H new ATOM 0 HA LEU A 46 11.431 -6.051 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.224 -6.102 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.608 -6.093 0.586 1.00 0.00 H new ATOM 0 HG LEU A 46 12.505 -3.761 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.338 -2.708 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.212 -4.178 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.446 -4.221 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.413 -2.512 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.484 -4.018 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.613 -3.838 2.460 1.00 0.00 H new ATOM 643 N LEU A 47 11.468 -8.451 1.411 1.00 0.00 N ATOM 644 CA LEU A 47 11.600 -9.895 1.256 1.00 0.00 C ATOM 645 C LEU A 47 10.459 -10.460 0.416 1.00 0.00 C ATOM 646 O LEU A 47 9.322 -10.581 0.870 1.00 0.00 O ATOM 647 CB LEU A 47 11.624 -10.575 2.626 1.00 0.00 C ATOM 648 CG LEU A 47 12.604 -11.739 2.781 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.097 -11.834 4.217 1.00 0.00 C ATOM 650 CD2 LEU A 47 11.952 -13.045 2.351 1.00 0.00 C ATOM 0 H LEU A 47 10.581 -8.071 1.080 1.00 0.00 H new ATOM 0 HA LEU A 47 12.539 -10.095 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.862 -9.823 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.621 -10.939 2.846 1.00 0.00 H new ATOM 0 HG LEU A 47 13.463 -11.555 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.793 -12.668 4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.602 -10.908 4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.249 -11.995 4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.663 -13.863 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.076 -13.235 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.649 -12.974 1.306 1.00 0.00 H new ATOM 662 N PRO A 48 10.769 -10.815 -0.840 1.00 0.00 N ATOM 663 CA PRO A 48 12.119 -10.674 -1.393 1.00 0.00 C ATOM 664 C PRO A 48 12.510 -9.216 -1.605 1.00 0.00 C ATOM 665 O PRO A 48 11.673 -8.360 -1.893 1.00 0.00 O ATOM 666 CB PRO A 48 12.031 -11.405 -2.735 1.00 0.00 C ATOM 667 CG PRO A 48 10.591 -11.336 -3.110 1.00 0.00 C ATOM 668 CD PRO A 48 9.824 -11.381 -1.818 1.00 0.00 C ATOM 0 HA PRO A 48 12.878 -11.076 -0.722 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.659 -10.928 -3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.368 -12.438 -2.646 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.375 -10.420 -3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.316 -12.169 -3.756 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.906 -10.796 -1.875 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.537 -12.399 -1.556 1.00 0.00 H new ATOM 676 N PRO A 49 13.811 -8.924 -1.461 1.00 0.00 N ATOM 677 CA PRO A 49 14.342 -7.568 -1.633 1.00 0.00 C ATOM 678 C PRO A 49 14.300 -7.110 -3.087 1.00 0.00 C ATOM 679 O PRO A 49 14.042 -7.905 -3.992 1.00 0.00 O ATOM 680 CB PRO A 49 15.790 -7.691 -1.153 1.00 0.00 C ATOM 681 CG PRO A 49 16.135 -9.126 -1.352 1.00 0.00 C ATOM 682 CD PRO A 49 14.864 -9.894 -1.118 1.00 0.00 C ATOM 0 HA PRO A 49 13.758 -6.829 -1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.453 -7.042 -1.725 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.886 -7.402 -0.106 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.516 -9.300 -2.358 1.00 0.00 H new ATOM 0 HG3 PRO A 49 16.914 -9.440 -0.657 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.811 -10.784 -1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.781 -10.228 -0.084 1.00 0.00 H new ATOM 690 N LEU A 50 14.554 -5.824 -3.305 1.00 0.00 N ATOM 691 CA LEU A 50 14.546 -5.260 -4.650 1.00 0.00 C ATOM 692 C LEU A 50 15.947 -4.824 -5.066 1.00 0.00 C ATOM 693 O LEU A 50 16.828 -4.604 -4.235 1.00 0.00 O ATOM 694 CB LEU A 50 13.587 -4.070 -4.719 1.00 0.00 C ATOM 695 CG LEU A 50 12.108 -4.409 -4.902 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.252 -3.161 -4.752 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.873 -5.059 -6.258 1.00 0.00 C ATOM 0 H LEU A 50 14.768 -5.153 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 50 14.207 -6.033 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.695 -3.489 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.896 -3.427 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 50 11.819 -5.119 -4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.202 -3.422 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.397 -2.737 -3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.542 -2.428 -5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.814 -5.293 -6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.179 -4.373 -7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.457 -5.977 -6.328 1.00 0.00 H new ATOM 709 N PRO A 51 16.159 -4.694 -6.384 1.00 0.00 N ATOM 710 CA PRO A 51 17.451 -4.281 -6.941 1.00 0.00 C ATOM 711 C PRO A 51 17.768 -2.818 -6.646 1.00 0.00 C ATOM 712 O PRO A 51 18.908 -2.471 -6.341 1.00 0.00 O ATOM 713 CB PRO A 51 17.274 -4.496 -8.446 1.00 0.00 C ATOM 714 CG PRO A 51 15.805 -4.393 -8.673 1.00 0.00 C ATOM 715 CD PRO A 51 15.155 -4.940 -7.432 1.00 0.00 C ATOM 0 HA PRO A 51 18.279 -4.844 -6.511 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.817 -3.745 -9.020 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.655 -5.470 -8.754 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.508 -3.358 -8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.505 -4.961 -9.553 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.215 -4.433 -7.214 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.930 -6.002 -7.531 1.00 0.00 H new ATOM 723 N GLU A 52 16.751 -1.967 -6.739 1.00 0.00 N ATOM 724 CA GLU A 52 16.923 -0.542 -6.482 1.00 0.00 C ATOM 725 C GLU A 52 15.579 0.180 -6.494 1.00 0.00 C ATOM 726 O GLU A 52 14.532 -0.440 -6.686 1.00 0.00 O ATOM 727 CB GLU A 52 17.856 0.078 -7.524 1.00 0.00 C ATOM 728 CG GLU A 52 17.345 -0.046 -8.949 1.00 0.00 C ATOM 729 CD GLU A 52 18.458 -0.293 -9.949 1.00 0.00 C ATOM 730 OE1 GLU A 52 19.039 -1.399 -9.927 1.00 0.00 O ATOM 731 OE2 GLU A 52 18.748 0.617 -10.752 1.00 0.00 O ATOM 0 H GLU A 52 15.801 -2.239 -6.990 1.00 0.00 H new ATOM 0 HA GLU A 52 17.368 -0.429 -5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.000 1.133 -7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.833 -0.400 -7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.625 -0.863 -9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.813 0.866 -9.221 1.00 0.00 H new ATOM 738 N ILE A 53 15.616 1.492 -6.287 1.00 0.00 N ATOM 739 CA ILE A 53 14.401 2.297 -6.275 1.00 0.00 C ATOM 740 C ILE A 53 13.562 2.045 -7.522 1.00 0.00 C ATOM 741 O ILE A 53 14.058 2.063 -8.649 1.00 0.00 O ATOM 742 CB ILE A 53 14.724 3.800 -6.182 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.154 4.165 -4.760 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.520 4.628 -6.605 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.032 4.084 -3.749 1.00 0.00 C ATOM 0 H ILE A 53 16.474 2.020 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 53 13.834 2.000 -5.393 1.00 0.00 H new ATOM 0 HB ILE A 53 15.549 4.021 -6.859 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.959 3.499 -4.451 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.559 5.177 -4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.764 5.688 -6.534 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.255 4.385 -7.634 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.677 4.405 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.410 4.356 -2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.235 4.771 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.641 3.067 -3.720 1.00 0.00 H new ATOM 757 N PRO A 54 12.258 1.806 -7.319 1.00 0.00 N ATOM 758 CA PRO A 54 11.320 1.547 -8.416 1.00 0.00 C ATOM 759 C PRO A 54 11.061 2.790 -9.262 1.00 0.00 C ATOM 760 O PRO A 54 11.493 3.889 -8.915 1.00 0.00 O ATOM 761 CB PRO A 54 10.041 1.115 -7.695 1.00 0.00 C ATOM 762 CG PRO A 54 10.134 1.744 -6.348 1.00 0.00 C ATOM 763 CD PRO A 54 11.598 1.769 -6.003 1.00 0.00 C ATOM 0 HA PRO A 54 11.704 0.803 -9.114 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.153 1.452 -8.229 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.976 0.029 -7.621 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.718 2.752 -6.358 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.569 1.173 -5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.854 2.640 -5.400 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.891 0.889 -5.431 1.00 0.00 H new ATOM 771 N ARG A 55 10.353 2.607 -10.371 1.00 0.00 N ATOM 772 CA ARG A 55 10.037 3.714 -11.267 1.00 0.00 C ATOM 773 C ARG A 55 8.654 4.282 -10.961 1.00 0.00 C ATOM 774 O ARG A 55 8.530 5.359 -10.378 1.00 0.00 O ATOM 775 CB ARG A 55 10.099 3.252 -12.724 1.00 0.00 C ATOM 776 CG ARG A 55 11.495 3.311 -13.322 1.00 0.00 C ATOM 777 CD ARG A 55 11.659 4.515 -14.237 1.00 0.00 C ATOM 778 NE ARG A 55 11.640 4.137 -15.647 1.00 0.00 N ATOM 779 CZ ARG A 55 12.645 3.517 -16.255 1.00 0.00 C ATOM 780 NH1 ARG A 55 13.743 3.206 -15.580 1.00 0.00 N ATOM 781 NH2 ARG A 55 12.553 3.206 -17.542 1.00 0.00 N ATOM 0 H ARG A 55 9.987 1.703 -10.671 1.00 0.00 H new ATOM 0 HA ARG A 55 10.777 4.499 -11.110 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.728 2.229 -12.788 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.430 3.871 -13.322 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.233 3.358 -12.521 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.691 2.397 -13.883 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.859 5.230 -14.042 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.599 5.018 -14.009 1.00 0.00 H new ATOM 0 HE ARG A 55 10.810 4.361 -16.195 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.818 3.443 -14.591 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.513 2.730 -16.050 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.710 3.443 -18.065 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.325 2.730 -18.008 1.00 0.00 H new ATOM 795 N GLY A 56 7.618 3.552 -11.359 1.00 0.00 N ATOM 796 CA GLY A 56 6.258 4.000 -11.120 1.00 0.00 C ATOM 797 C GLY A 56 5.904 4.014 -9.646 1.00 0.00 C ATOM 798 O GLY A 56 6.749 4.308 -8.801 1.00 0.00 O ATOM 0 H GLY A 56 7.695 2.658 -11.843 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.131 5.002 -11.531 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.565 3.347 -11.651 1.00 0.00 H new ATOM 802 N ILE A 57 4.650 3.698 -9.338 1.00 0.00 N ATOM 803 CA ILE A 57 4.187 3.677 -7.956 1.00 0.00 C ATOM 804 C ILE A 57 4.571 2.371 -7.267 1.00 0.00 C ATOM 805 O ILE A 57 4.342 1.286 -7.801 1.00 0.00 O ATOM 806 CB ILE A 57 2.660 3.858 -7.872 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.250 5.202 -8.478 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.193 3.758 -6.427 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.753 5.379 -8.600 1.00 0.00 C ATOM 0 H ILE A 57 3.938 3.453 -10.026 1.00 0.00 H new ATOM 0 HA ILE A 57 4.673 4.510 -7.448 1.00 0.00 H new ATOM 0 HB ILE A 57 2.183 3.062 -8.443 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.654 6.007 -7.863 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.701 5.298 -9.466 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.112 3.888 -6.384 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.457 2.779 -6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.676 4.535 -5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.536 6.354 -9.037 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.345 4.596 -9.239 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.297 5.315 -7.612 1.00 0.00 H new ATOM 821 N TRP A 58 5.154 2.485 -6.080 1.00 0.00 N ATOM 822 CA TRP A 58 5.568 1.313 -5.316 1.00 0.00 C ATOM 823 C TRP A 58 4.813 1.230 -3.994 1.00 0.00 C ATOM 824 O TRP A 58 4.588 2.243 -3.333 1.00 0.00 O ATOM 825 CB TRP A 58 7.074 1.355 -5.056 1.00 0.00 C ATOM 826 CG TRP A 58 7.562 0.220 -4.207 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.075 -0.968 -4.644 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.582 0.167 -2.776 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.412 -1.757 -3.570 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.120 -1.084 -2.414 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.199 1.054 -1.767 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.282 -1.467 -1.085 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.361 0.672 -0.448 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.899 -0.579 -0.117 1.00 0.00 C ATOM 0 H TRP A 58 5.351 3.376 -5.625 1.00 0.00 H new ATOM 0 HA TRP A 58 5.332 0.425 -5.903 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.601 1.338 -6.010 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.325 2.297 -4.570 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.198 -1.246 -5.680 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.815 -2.693 -3.625 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.784 2.020 -2.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.695 -2.431 -0.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.068 1.349 0.341 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.014 -0.848 0.923 1.00 0.00 H new ATOM 845 N ARG A 59 4.425 0.017 -3.615 1.00 0.00 N ATOM 846 CA ARG A 59 3.694 -0.198 -2.372 1.00 0.00 C ATOM 847 C ARG A 59 4.484 -1.097 -1.425 1.00 0.00 C ATOM 848 O ARG A 59 5.384 -1.823 -1.848 1.00 0.00 O ATOM 849 CB ARG A 59 2.326 -0.820 -2.661 1.00 0.00 C ATOM 850 CG ARG A 59 1.168 0.150 -2.490 1.00 0.00 C ATOM 851 CD ARG A 59 -0.079 -0.555 -1.979 1.00 0.00 C ATOM 852 NE ARG A 59 -1.182 -0.476 -2.933 1.00 0.00 N ATOM 853 CZ ARG A 59 -1.295 -1.269 -3.993 1.00 0.00 C ATOM 854 NH1 ARG A 59 -0.378 -2.196 -4.233 1.00 0.00 N ATOM 855 NH2 ARG A 59 -2.328 -1.136 -4.815 1.00 0.00 N ATOM 0 H ARG A 59 4.605 -0.832 -4.151 1.00 0.00 H new ATOM 0 HA ARG A 59 3.551 0.770 -1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.319 -1.205 -3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.176 -1.672 -1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.453 0.939 -1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.951 0.630 -3.444 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.152 -1.601 -1.778 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.385 -0.109 -1.033 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.905 0.226 -2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.417 -2.302 -3.603 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.468 -2.803 -5.048 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.036 -0.425 -4.633 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.414 -1.745 -5.629 1.00 0.00 H new ATOM 869 N CYS A 60 4.141 -1.042 -0.143 1.00 0.00 N ATOM 870 CA CYS A 60 4.818 -1.849 0.865 1.00 0.00 C ATOM 871 C CYS A 60 4.053 -3.144 1.129 1.00 0.00 C ATOM 872 O CYS A 60 2.858 -3.254 0.856 1.00 0.00 O ATOM 873 CB CYS A 60 4.967 -1.058 2.166 1.00 0.00 C ATOM 874 SG CYS A 60 3.443 -0.968 3.161 1.00 0.00 S ATOM 0 H CYS A 60 3.398 -0.447 0.223 1.00 0.00 H new ATOM 0 HA CYS A 60 5.808 -2.103 0.486 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.754 -1.513 2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.293 -0.046 1.928 1.00 0.00 H new ATOM 0 HG CYS A 60 3.248 0.258 3.547 1.00 0.00 H new ATOM 879 N PRO A 61 4.758 -4.147 1.673 1.00 0.00 N ATOM 880 CA PRO A 61 4.167 -5.451 1.986 1.00 0.00 C ATOM 881 C PRO A 61 3.186 -5.378 3.151 1.00 0.00 C ATOM 882 O PRO A 61 2.291 -6.215 3.277 1.00 0.00 O ATOM 883 CB PRO A 61 5.378 -6.309 2.359 1.00 0.00 C ATOM 884 CG PRO A 61 6.401 -5.335 2.832 1.00 0.00 C ATOM 885 CD PRO A 61 6.187 -4.085 2.024 1.00 0.00 C ATOM 0 HA PRO A 61 3.588 -5.847 1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.128 -7.030 3.137 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.739 -6.878 1.502 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.287 -5.135 3.897 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.408 -5.726 2.687 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.421 -3.189 2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.819 -4.067 1.136 1.00 0.00 H new ATOM 893 N LYS A 62 3.358 -4.372 4.001 1.00 0.00 N ATOM 894 CA LYS A 62 2.487 -4.187 5.156 1.00 0.00 C ATOM 895 C LYS A 62 1.096 -3.735 4.722 1.00 0.00 C ATOM 896 O LYS A 62 0.130 -3.854 5.476 1.00 0.00 O ATOM 897 CB LYS A 62 3.091 -3.161 6.118 1.00 0.00 C ATOM 898 CG LYS A 62 3.650 -3.775 7.390 1.00 0.00 C ATOM 899 CD LYS A 62 2.661 -3.673 8.539 1.00 0.00 C ATOM 900 CE LYS A 62 3.373 -3.546 9.877 1.00 0.00 C ATOM 901 NZ LYS A 62 2.540 -4.057 11.000 1.00 0.00 N ATOM 0 H LYS A 62 4.094 -3.671 3.912 1.00 0.00 H new ATOM 0 HA LYS A 62 2.396 -5.145 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.886 -2.620 5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.327 -2.430 6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.896 -4.822 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.578 -3.271 7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.013 -2.810 8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.020 -4.555 8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.313 -4.097 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.623 -2.501 10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.061 -3.953 11.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.654 -3.514 11.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.322 -5.062 10.842 1.00 0.00 H new ATOM 915 N CYS A 63 1.001 -3.218 3.502 1.00 0.00 N ATOM 916 CA CYS A 63 -0.271 -2.749 2.966 1.00 0.00 C ATOM 917 C CYS A 63 -0.847 -3.755 1.974 1.00 0.00 C ATOM 918 O CYS A 63 -2.049 -4.024 1.973 1.00 0.00 O ATOM 919 CB CYS A 63 -0.093 -1.390 2.287 1.00 0.00 C ATOM 920 SG CYS A 63 -0.052 0.018 3.441 1.00 0.00 S ATOM 0 H CYS A 63 1.791 -3.113 2.865 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.970 -2.643 3.796 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.833 -1.402 1.712 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.907 -1.241 1.578 1.00 0.00 H new ATOM 0 HG CYS A 63 1.174 0.428 3.582 1.00 0.00 H new ATOM 925 N ILE A 64 0.019 -4.307 1.130 1.00 0.00 N ATOM 926 CA ILE A 64 -0.403 -5.284 0.134 1.00 0.00 C ATOM 927 C ILE A 64 -0.871 -6.576 0.794 1.00 0.00 C ATOM 928 O ILE A 64 -1.907 -7.133 0.429 1.00 0.00 O ATOM 929 CB ILE A 64 0.733 -5.607 -0.854 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.207 -4.333 -1.555 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.272 -6.639 -1.873 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.592 -4.451 -2.152 1.00 0.00 C ATOM 0 H ILE A 64 1.016 -4.094 1.116 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.233 -4.838 -0.413 1.00 0.00 H new ATOM 0 HB ILE A 64 1.571 -6.025 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.500 -4.078 -2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.197 -3.510 -0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.086 -6.857 -2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.021 -7.554 -1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.580 -6.247 -2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.862 -3.511 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.310 -4.675 -1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.603 -5.252 -2.891 1.00 0.00 H new ATOM 944 N LEU A 65 -0.102 -7.047 1.770 1.00 0.00 N ATOM 945 CA LEU A 65 -0.439 -8.274 2.484 1.00 0.00 C ATOM 946 C LEU A 65 -1.721 -8.100 3.292 1.00 0.00 C ATOM 947 O LEU A 65 -2.342 -9.078 3.707 1.00 0.00 O ATOM 948 CB LEU A 65 0.710 -8.680 3.409 1.00 0.00 C ATOM 949 CG LEU A 65 2.027 -9.046 2.724 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.165 -9.070 3.732 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.907 -10.390 2.021 1.00 0.00 C ATOM 0 H LEU A 65 0.758 -6.598 2.085 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.601 -9.061 1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.900 -7.860 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.385 -9.532 4.006 1.00 0.00 H new ATOM 0 HG LEU A 65 2.248 -8.285 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.094 -9.332 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.267 -8.086 4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.951 -9.809 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.854 -10.634 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.662 -11.162 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.120 -10.338 1.269 1.00 0.00 H new ATOM 963 N ALA A 66 -2.112 -6.849 3.509 1.00 0.00 N ATOM 964 CA ALA A 66 -3.322 -6.546 4.263 1.00 0.00 C ATOM 965 C ALA A 66 -4.515 -6.356 3.333 1.00 0.00 C ATOM 966 O ALA A 66 -5.622 -6.805 3.630 1.00 0.00 O ATOM 967 CB ALA A 66 -3.114 -5.305 5.119 1.00 0.00 C ATOM 0 H ALA A 66 -1.608 -6.028 3.173 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.535 -7.392 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.026 -5.091 5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.294 -5.477 5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.873 -4.457 4.478 1.00 0.00 H new ATOM 973 N GLU A 67 -4.282 -5.689 2.207 1.00 0.00 N ATOM 974 CA GLU A 67 -5.340 -5.439 1.235 1.00 0.00 C ATOM 975 C GLU A 67 -5.632 -6.693 0.414 1.00 0.00 C ATOM 976 O GLU A 67 -6.739 -6.870 -0.095 1.00 0.00 O ATOM 977 CB GLU A 67 -4.948 -4.288 0.306 1.00 0.00 C ATOM 978 CG GLU A 67 -4.842 -2.946 1.011 1.00 0.00 C ATOM 979 CD GLU A 67 -6.183 -2.437 1.500 1.00 0.00 C ATOM 980 OE1 GLU A 67 -7.219 -2.886 0.965 1.00 0.00 O ATOM 981 OE2 GLU A 67 -6.198 -1.590 2.417 1.00 0.00 O ATOM 0 H GLU A 67 -3.371 -5.312 1.945 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.243 -5.164 1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.991 -4.520 -0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.684 -4.211 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.162 -3.037 1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.407 -2.215 0.330 1.00 0.00 H new ATOM 988 N CYS A 68 -4.631 -7.557 0.290 1.00 0.00 N ATOM 989 CA CYS A 68 -4.779 -8.794 -0.469 1.00 0.00 C ATOM 990 C CYS A 68 -6.008 -9.571 -0.009 1.00 0.00 C ATOM 991 O CYS A 68 -6.750 -10.120 -0.823 1.00 0.00 O ATOM 992 CB CYS A 68 -3.527 -9.660 -0.322 1.00 0.00 C ATOM 993 SG CYS A 68 -3.635 -11.261 -1.156 1.00 0.00 S ATOM 0 H CYS A 68 -3.709 -7.424 0.705 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.910 -8.533 -1.519 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.671 -9.113 -0.718 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.336 -9.827 0.738 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.529 -11.919 -0.976 1.00 0.00 H new