USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 CYS SG : rot 150:sc= 0.83 USER MOD Set 1.2: A 37 CYS SG : rot -52:sc= 0.343 USER MOD Set 1.3: A 60 CYS SG : rot -132:sc= 0.185 USER MOD Set 1.4: A 63 CYS SG : rot 105:sc= 0.22 USER MOD Set 2.1: A 19 CYS SG : rot 151:sc= 0.385 USER MOD Set 2.2: A 22 CYS SG : rot -55:sc= -0.0834 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -2.9 X(o=-2.6,f=-3) USER MOD Set 2.4: A 45 CYS SG : rot 128:sc= 0.00888 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.034 K(o=-0.034,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc=-0.00717 USER MOD Single : A 30 LYS NZ :NH3+ 151:sc= -0.0602 (180deg=-0.561) USER MOD Single : A 40 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.8) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 16 10.997 13.441 8.935 1.00 0.00 N ATOM 184 CA SER A 16 11.950 12.783 8.049 1.00 0.00 C ATOM 185 C SER A 16 11.439 11.410 7.625 1.00 0.00 C ATOM 186 O SER A 16 10.293 11.051 7.895 1.00 0.00 O ATOM 187 CB SER A 16 13.308 12.643 8.740 1.00 0.00 C ATOM 188 OG SER A 16 14.367 12.955 7.852 1.00 0.00 O ATOM 0 HA SER A 16 12.065 13.400 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.349 13.304 9.606 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.428 11.625 9.110 1.00 0.00 H new ATOM 0 HG SER A 16 15.224 12.860 8.318 1.00 0.00 H new ATOM 194 N TYR A 17 12.298 10.646 6.959 1.00 0.00 N ATOM 195 CA TYR A 17 11.933 9.313 6.494 1.00 0.00 C ATOM 196 C TYR A 17 12.816 8.250 7.141 1.00 0.00 C ATOM 197 O TYR A 17 14.012 8.166 6.860 1.00 0.00 O ATOM 198 CB TYR A 17 12.051 9.231 4.971 1.00 0.00 C ATOM 199 CG TYR A 17 11.436 10.410 4.252 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.080 10.692 4.371 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.210 11.244 3.454 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.514 11.768 3.715 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.652 12.323 2.796 1.00 0.00 C ATOM 204 CZ TYR A 17 10.304 12.580 2.929 1.00 0.00 C ATOM 205 OH TYR A 17 9.744 13.654 2.275 1.00 0.00 O ATOM 0 H TYR A 17 13.251 10.927 6.729 1.00 0.00 H new ATOM 0 HA TYR A 17 10.899 9.126 6.782 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.104 9.160 4.700 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.571 8.315 4.627 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.458 10.059 4.987 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.266 11.045 3.346 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.458 11.972 3.817 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.268 12.962 2.181 1.00 0.00 H new ATOM 0 HH TYR A 17 10.437 14.124 1.765 1.00 0.00 H new ATOM 215 N ILE A 18 12.218 7.441 8.008 1.00 0.00 N ATOM 216 CA ILE A 18 12.948 6.383 8.694 1.00 0.00 C ATOM 217 C ILE A 18 12.449 5.006 8.269 1.00 0.00 C ATOM 218 O ILE A 18 11.245 4.749 8.246 1.00 0.00 O ATOM 219 CB ILE A 18 12.822 6.512 10.224 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.111 7.949 10.662 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.765 5.540 10.917 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.500 8.424 10.296 1.00 0.00 C ATOM 0 H ILE A 18 11.229 7.498 8.252 1.00 0.00 H new ATOM 0 HA ILE A 18 13.996 6.490 8.413 1.00 0.00 H new ATOM 0 HB ILE A 18 11.801 6.264 10.512 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.377 8.614 10.207 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.983 8.024 11.742 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.664 5.643 11.997 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.515 4.520 10.625 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.792 5.759 10.626 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.635 9.450 10.637 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.241 7.783 10.773 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.626 8.382 9.214 1.00 0.00 H new ATOM 234 N CYS A 19 13.383 4.122 7.934 1.00 0.00 N ATOM 235 CA CYS A 19 13.040 2.770 7.511 1.00 0.00 C ATOM 236 C CYS A 19 12.179 2.073 8.560 1.00 0.00 C ATOM 237 O CYS A 19 12.243 2.399 9.745 1.00 0.00 O ATOM 238 CB CYS A 19 14.310 1.955 7.254 1.00 0.00 C ATOM 239 SG CYS A 19 14.022 0.386 6.376 1.00 0.00 S ATOM 0 H CYS A 19 14.384 4.318 7.947 1.00 0.00 H new ATOM 0 HA CYS A 19 12.468 2.840 6.586 1.00 0.00 H new ATOM 0 HB2 CYS A 19 15.006 2.561 6.674 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.791 1.742 8.208 1.00 0.00 H new ATOM 0 HG CYS A 19 15.074 0.081 5.677 1.00 0.00 H new ATOM 244 N GLN A 20 11.376 1.112 8.116 1.00 0.00 N ATOM 245 CA GLN A 20 10.502 0.370 9.017 1.00 0.00 C ATOM 246 C GLN A 20 11.017 -1.051 9.226 1.00 0.00 C ATOM 247 O GLN A 20 10.258 -1.949 9.591 1.00 0.00 O ATOM 248 CB GLN A 20 9.077 0.331 8.462 1.00 0.00 C ATOM 249 CG GLN A 20 8.234 1.530 8.868 1.00 0.00 C ATOM 250 CD GLN A 20 7.750 1.444 10.302 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.637 0.356 10.867 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.460 2.594 10.899 1.00 0.00 N ATOM 0 H GLN A 20 11.312 0.829 7.138 1.00 0.00 H new ATOM 0 HA GLN A 20 10.496 0.881 9.980 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.121 0.279 7.374 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.587 -0.580 8.805 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.819 2.441 8.740 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.374 1.607 8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.568 3.473 10.393 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.129 2.599 11.864 1.00 0.00 H new ATOM 261 N VAL A 21 12.311 -1.246 8.994 1.00 0.00 N ATOM 262 CA VAL A 21 12.927 -2.557 9.158 1.00 0.00 C ATOM 263 C VAL A 21 14.217 -2.461 9.964 1.00 0.00 C ATOM 264 O VAL A 21 14.479 -3.287 10.839 1.00 0.00 O ATOM 265 CB VAL A 21 13.234 -3.208 7.796 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.905 -4.560 7.988 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.961 -3.348 6.974 1.00 0.00 C ATOM 0 H VAL A 21 12.953 -0.513 8.692 1.00 0.00 H new ATOM 0 HA VAL A 21 12.210 -3.178 9.696 1.00 0.00 H new ATOM 0 HB VAL A 21 13.923 -2.562 7.252 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.114 -5.004 7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.839 -4.428 8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.244 -5.218 8.552 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.196 -3.810 6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.247 -3.972 7.512 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.526 -2.363 6.806 1.00 0.00 H new ATOM 277 N CYS A 22 15.021 -1.446 9.665 1.00 0.00 N ATOM 278 CA CYS A 22 16.285 -1.239 10.362 1.00 0.00 C ATOM 279 C CYS A 22 16.264 0.067 11.151 1.00 0.00 C ATOM 280 O CYS A 22 17.091 0.282 12.037 1.00 0.00 O ATOM 281 CB CYS A 22 17.445 -1.227 9.364 1.00 0.00 C ATOM 282 SG CYS A 22 17.374 0.137 8.159 1.00 0.00 S ATOM 0 H CYS A 22 14.819 -0.753 8.944 1.00 0.00 H new ATOM 0 HA CYS A 22 16.425 -2.063 11.062 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.383 -1.163 9.915 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.456 -2.174 8.825 1.00 0.00 H new ATOM 0 HG CYS A 22 16.227 0.117 7.548 1.00 0.00 H new ATOM 287 N SER A 23 15.312 0.934 10.823 1.00 0.00 N ATOM 288 CA SER A 23 15.185 2.221 11.499 1.00 0.00 C ATOM 289 C SER A 23 16.414 3.089 11.248 1.00 0.00 C ATOM 290 O SER A 23 17.145 3.432 12.178 1.00 0.00 O ATOM 291 CB SER A 23 14.990 2.014 13.002 1.00 0.00 C ATOM 292 OG SER A 23 14.194 0.871 13.261 1.00 0.00 O ATOM 0 H SER A 23 14.618 0.770 10.094 1.00 0.00 H new ATOM 0 HA SER A 23 14.312 2.733 11.094 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.960 1.902 13.486 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.518 2.896 13.435 1.00 0.00 H new ATOM 0 HG SER A 23 14.086 0.760 14.229 1.00 0.00 H new ATOM 298 N ARG A 24 16.634 3.442 9.986 1.00 0.00 N ATOM 299 CA ARG A 24 17.774 4.270 9.612 1.00 0.00 C ATOM 300 C ARG A 24 17.319 5.509 8.846 1.00 0.00 C ATOM 301 O ARG A 24 16.139 5.657 8.531 1.00 0.00 O ATOM 302 CB ARG A 24 18.759 3.465 8.762 1.00 0.00 C ATOM 303 CG ARG A 24 19.716 2.614 9.580 1.00 0.00 C ATOM 304 CD ARG A 24 20.777 3.466 10.260 1.00 0.00 C ATOM 305 NE ARG A 24 21.585 2.690 11.196 1.00 0.00 N ATOM 306 CZ ARG A 24 22.530 3.219 11.965 1.00 0.00 C ATOM 307 NH1 ARG A 24 22.784 4.520 11.910 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.223 2.448 12.793 1.00 0.00 N ATOM 0 H ARG A 24 16.038 3.168 9.205 1.00 0.00 H new ATOM 0 HA ARG A 24 18.272 4.592 10.526 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.199 2.819 8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.336 4.151 8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.157 2.057 10.333 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.197 1.881 8.933 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.425 3.910 9.504 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.296 4.288 10.791 1.00 0.00 H new ATOM 0 HE ARG A 24 21.415 1.687 11.263 1.00 0.00 H new ATOM 0 HH11 ARG A 24 22.253 5.117 11.276 1.00 0.00 H new ATOM 0 HH12 ARG A 24 23.510 4.923 12.502 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.030 1.447 12.840 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.948 2.856 13.383 1.00 0.00 H new ATOM 322 N GLY A 25 18.264 6.396 8.550 1.00 0.00 N ATOM 323 CA GLY A 25 17.940 7.611 7.825 1.00 0.00 C ATOM 324 C GLY A 25 18.941 7.914 6.727 1.00 0.00 C ATOM 325 O GLY A 25 18.568 8.381 5.651 1.00 0.00 O ATOM 0 H GLY A 25 19.248 6.295 8.799 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.945 7.517 7.390 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.905 8.448 8.522 1.00 0.00 H new ATOM 329 N ASP A 26 20.214 7.651 7.000 1.00 0.00 N ATOM 330 CA ASP A 26 21.271 7.900 6.028 1.00 0.00 C ATOM 331 C ASP A 26 21.033 7.102 4.749 1.00 0.00 C ATOM 332 O ASP A 26 21.543 7.450 3.685 1.00 0.00 O ATOM 333 CB ASP A 26 22.634 7.540 6.621 1.00 0.00 C ATOM 334 CG ASP A 26 23.717 8.523 6.221 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.693 8.995 5.066 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.590 8.820 7.064 1.00 0.00 O ATOM 0 H ASP A 26 20.539 7.265 7.887 1.00 0.00 H new ATOM 0 HA ASP A 26 21.260 8.961 5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.558 7.510 7.708 1.00 0.00 H new ATOM 0 HB3 ASP A 26 22.917 6.539 6.294 1.00 0.00 H new ATOM 341 N GLU A 27 20.256 6.029 4.864 1.00 0.00 N ATOM 342 CA GLU A 27 19.953 5.180 3.717 1.00 0.00 C ATOM 343 C GLU A 27 18.761 5.727 2.937 1.00 0.00 C ATOM 344 O GLU A 27 18.351 5.153 1.927 1.00 0.00 O ATOM 345 CB GLU A 27 19.664 3.750 4.176 1.00 0.00 C ATOM 346 CG GLU A 27 20.915 2.914 4.388 1.00 0.00 C ATOM 347 CD GLU A 27 20.728 1.842 5.445 1.00 0.00 C ATOM 348 OE1 GLU A 27 20.026 2.110 6.443 1.00 0.00 O ATOM 349 OE2 GLU A 27 21.284 0.737 5.274 1.00 0.00 O ATOM 0 H GLU A 27 19.826 5.727 5.738 1.00 0.00 H new ATOM 0 HA GLU A 27 20.823 5.174 3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.098 3.784 5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.031 3.261 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.198 2.445 3.446 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.738 3.566 4.679 1.00 0.00 H new ATOM 356 N ASP A 28 18.209 6.838 3.412 1.00 0.00 N ATOM 357 CA ASP A 28 17.065 7.463 2.759 1.00 0.00 C ATOM 358 C ASP A 28 17.323 7.645 1.267 1.00 0.00 C ATOM 359 O ASP A 28 16.390 7.663 0.463 1.00 0.00 O ATOM 360 CB ASP A 28 16.758 8.815 3.405 1.00 0.00 C ATOM 361 CG ASP A 28 17.866 9.826 3.186 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.049 9.451 3.332 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.551 10.992 2.868 1.00 0.00 O ATOM 0 H ASP A 28 18.535 7.324 4.247 1.00 0.00 H new ATOM 0 HA ASP A 28 16.204 6.806 2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.827 9.207 2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.603 8.676 4.475 1.00 0.00 H new ATOM 368 N ASP A 29 18.594 7.781 0.904 1.00 0.00 N ATOM 369 CA ASP A 29 18.975 7.961 -0.492 1.00 0.00 C ATOM 370 C ASP A 29 18.342 6.888 -1.372 1.00 0.00 C ATOM 371 O ASP A 29 18.077 7.114 -2.553 1.00 0.00 O ATOM 372 CB ASP A 29 20.497 7.925 -0.637 1.00 0.00 C ATOM 373 CG ASP A 29 21.085 9.293 -0.918 1.00 0.00 C ATOM 374 OD1 ASP A 29 20.506 10.030 -1.744 1.00 0.00 O ATOM 375 OD2 ASP A 29 22.124 9.628 -0.313 1.00 0.00 O ATOM 0 H ASP A 29 19.377 7.770 1.557 1.00 0.00 H new ATOM 0 HA ASP A 29 18.610 8.935 -0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.937 7.525 0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.766 7.244 -1.445 1.00 0.00 H new ATOM 380 N LYS A 30 18.103 5.718 -0.789 1.00 0.00 N ATOM 381 CA LYS A 30 17.501 4.608 -1.518 1.00 0.00 C ATOM 382 C LYS A 30 16.238 4.117 -0.817 1.00 0.00 C ATOM 383 O LYS A 30 15.915 2.929 -0.858 1.00 0.00 O ATOM 384 CB LYS A 30 18.501 3.458 -1.655 1.00 0.00 C ATOM 385 CG LYS A 30 19.541 3.682 -2.739 1.00 0.00 C ATOM 386 CD LYS A 30 20.508 2.513 -2.834 1.00 0.00 C ATOM 387 CE LYS A 30 20.686 2.053 -4.273 1.00 0.00 C ATOM 388 NZ LYS A 30 21.024 3.185 -5.180 1.00 0.00 N ATOM 0 H LYS A 30 18.317 5.514 0.187 1.00 0.00 H new ATOM 0 HA LYS A 30 17.229 4.964 -2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.008 3.313 -0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.957 2.538 -1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.043 3.823 -3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.095 4.597 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.474 2.804 -2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.140 1.685 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.475 1.303 -4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.770 1.573 -4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.595 2.834 -5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.148 3.611 -5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.565 3.901 -4.655 1.00 0.00 H new ATOM 402 N LEU A 31 15.528 5.037 -0.175 1.00 0.00 N ATOM 403 CA LEU A 31 14.299 4.698 0.535 1.00 0.00 C ATOM 404 C LEU A 31 13.101 4.722 -0.409 1.00 0.00 C ATOM 405 O LEU A 31 13.029 5.551 -1.318 1.00 0.00 O ATOM 406 CB LEU A 31 14.070 5.672 1.692 1.00 0.00 C ATOM 407 CG LEU A 31 14.275 5.104 3.097 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.036 6.177 4.147 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.356 3.913 3.330 1.00 0.00 C ATOM 0 H LEU A 31 15.782 6.024 -0.131 1.00 0.00 H new ATOM 0 HA LEU A 31 14.405 3.689 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.741 6.522 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.052 6.056 1.622 1.00 0.00 H new ATOM 0 HG LEU A 31 15.307 4.764 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.187 5.754 5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.735 6.999 3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.015 6.548 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.515 3.522 4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.318 4.228 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.576 3.135 2.599 1.00 0.00 H new ATOM 421 N LEU A 32 12.162 3.809 -0.188 1.00 0.00 N ATOM 422 CA LEU A 32 10.964 3.726 -1.017 1.00 0.00 C ATOM 423 C LEU A 32 9.752 4.285 -0.280 1.00 0.00 C ATOM 424 O LEU A 32 9.678 4.229 0.948 1.00 0.00 O ATOM 425 CB LEU A 32 10.703 2.276 -1.427 1.00 0.00 C ATOM 426 CG LEU A 32 11.507 1.761 -2.622 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.947 1.487 -2.219 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.864 0.507 -3.196 1.00 0.00 C ATOM 0 H LEU A 32 12.207 3.115 0.558 1.00 0.00 H new ATOM 0 HA LEU A 32 11.129 4.326 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.911 1.634 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.642 2.169 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 32 11.508 2.531 -3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.503 1.121 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.405 2.407 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.967 0.736 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.449 0.154 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.832 -0.268 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.850 0.736 -3.524 1.00 0.00 H new ATOM 440 N PHE A 33 8.800 4.821 -1.037 1.00 0.00 N ATOM 441 CA PHE A 33 7.589 5.388 -0.456 1.00 0.00 C ATOM 442 C PHE A 33 6.358 4.595 -0.883 1.00 0.00 C ATOM 443 O PHE A 33 6.162 4.321 -2.067 1.00 0.00 O ATOM 444 CB PHE A 33 7.436 6.853 -0.872 1.00 0.00 C ATOM 445 CG PHE A 33 8.697 7.655 -0.719 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.356 7.709 0.498 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.224 8.353 -1.794 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.516 8.447 0.642 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.384 9.092 -1.656 1.00 0.00 C ATOM 450 CZ PHE A 33 11.031 9.138 -0.438 1.00 0.00 C ATOM 0 H PHE A 33 8.844 4.874 -2.055 1.00 0.00 H new ATOM 0 HA PHE A 33 7.676 5.333 0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.112 6.895 -1.912 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.648 7.312 -0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.959 7.168 1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.723 8.319 -2.750 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.019 8.483 1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.784 9.633 -2.501 1.00 0.00 H new ATOM 0 HZ PHE A 33 11.939 9.713 -0.329 1.00 0.00 H new ATOM 460 N CYS A 34 5.531 4.229 0.091 1.00 0.00 N ATOM 461 CA CYS A 34 4.319 3.466 -0.182 1.00 0.00 C ATOM 462 C CYS A 34 3.167 4.393 -0.561 1.00 0.00 C ATOM 463 O CYS A 34 3.005 5.468 0.017 1.00 0.00 O ATOM 464 CB CYS A 34 3.933 2.628 1.039 1.00 0.00 C ATOM 465 SG CYS A 34 2.300 1.831 0.908 1.00 0.00 S ATOM 0 H CYS A 34 5.678 4.449 1.076 1.00 0.00 H new ATOM 0 HA CYS A 34 4.519 2.801 -1.022 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.690 1.859 1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.944 3.266 1.923 1.00 0.00 H new ATOM 0 HG CYS A 34 2.307 0.715 1.575 1.00 0.00 H new ATOM 470 N ASP A 35 2.370 3.968 -1.536 1.00 0.00 N ATOM 471 CA ASP A 35 1.232 4.758 -1.992 1.00 0.00 C ATOM 472 C ASP A 35 -0.032 4.383 -1.225 1.00 0.00 C ATOM 473 O ASP A 35 -1.096 4.197 -1.815 1.00 0.00 O ATOM 474 CB ASP A 35 1.013 4.556 -3.492 1.00 0.00 C ATOM 475 CG ASP A 35 -0.039 5.491 -4.055 1.00 0.00 C ATOM 476 OD1 ASP A 35 -0.232 6.582 -3.478 1.00 0.00 O ATOM 477 OD2 ASP A 35 -0.667 5.134 -5.072 1.00 0.00 O ATOM 0 H ASP A 35 2.491 3.081 -2.025 1.00 0.00 H new ATOM 0 HA ASP A 35 1.451 5.809 -1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.954 4.714 -4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.714 3.524 -3.677 1.00 0.00 H new ATOM 482 N GLY A 36 0.093 4.273 0.094 1.00 0.00 N ATOM 483 CA GLY A 36 -1.047 3.920 0.920 1.00 0.00 C ATOM 484 C GLY A 36 -0.876 4.356 2.362 1.00 0.00 C ATOM 485 O GLY A 36 -1.809 4.873 2.977 1.00 0.00 O ATOM 0 H GLY A 36 0.963 4.422 0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.946 4.380 0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.197 2.841 0.885 1.00 0.00 H new ATOM 489 N CYS A 37 0.319 4.145 2.904 1.00 0.00 N ATOM 490 CA CYS A 37 0.610 4.517 4.283 1.00 0.00 C ATOM 491 C CYS A 37 1.718 5.564 4.341 1.00 0.00 C ATOM 492 O CYS A 37 1.934 6.198 5.375 1.00 0.00 O ATOM 493 CB CYS A 37 1.016 3.283 5.092 1.00 0.00 C ATOM 494 SG CYS A 37 2.527 2.464 4.490 1.00 0.00 S ATOM 0 H CYS A 37 1.102 3.718 2.409 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.294 4.945 4.716 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.164 3.576 6.132 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.196 2.565 5.076 1.00 0.00 H new ATOM 0 HG CYS A 37 2.415 2.228 3.217 1.00 0.00 H new ATOM 499 N ASP A 38 2.417 5.741 3.226 1.00 0.00 N ATOM 500 CA ASP A 38 3.503 6.711 3.149 1.00 0.00 C ATOM 501 C ASP A 38 4.634 6.338 4.102 1.00 0.00 C ATOM 502 O ASP A 38 5.116 7.175 4.866 1.00 0.00 O ATOM 503 CB ASP A 38 2.986 8.113 3.475 1.00 0.00 C ATOM 504 CG ASP A 38 3.911 9.203 2.970 1.00 0.00 C ATOM 505 OD1 ASP A 38 4.621 8.963 1.972 1.00 0.00 O ATOM 506 OD2 ASP A 38 3.925 10.297 3.574 1.00 0.00 O ATOM 0 H ASP A 38 2.251 5.225 2.362 1.00 0.00 H new ATOM 0 HA ASP A 38 3.893 6.703 2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.998 8.245 3.033 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.868 8.212 4.554 1.00 0.00 H new ATOM 511 N ASP A 39 5.051 5.078 4.052 1.00 0.00 N ATOM 512 CA ASP A 39 6.125 4.594 4.911 1.00 0.00 C ATOM 513 C ASP A 39 7.462 4.621 4.177 1.00 0.00 C ATOM 514 O ASP A 39 7.537 5.029 3.019 1.00 0.00 O ATOM 515 CB ASP A 39 5.822 3.175 5.393 1.00 0.00 C ATOM 516 CG ASP A 39 4.941 3.158 6.627 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.633 4.248 7.151 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.559 2.053 7.067 1.00 0.00 O ATOM 0 H ASP A 39 4.662 4.373 3.426 1.00 0.00 H new ATOM 0 HA ASP A 39 6.192 5.256 5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.332 2.620 4.593 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.758 2.661 5.611 1.00 0.00 H new ATOM 523 N ASN A 40 8.516 4.184 4.860 1.00 0.00 N ATOM 524 CA ASN A 40 9.850 4.159 4.272 1.00 0.00 C ATOM 525 C ASN A 40 10.454 2.760 4.353 1.00 0.00 C ATOM 526 O ASN A 40 10.591 2.193 5.437 1.00 0.00 O ATOM 527 CB ASN A 40 10.762 5.161 4.983 1.00 0.00 C ATOM 528 CG ASN A 40 10.010 6.390 5.459 1.00 0.00 C ATOM 529 OD1 ASN A 40 9.953 6.672 6.656 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.428 7.127 4.520 1.00 0.00 N ATOM 0 H ASN A 40 8.472 3.843 5.820 1.00 0.00 H new ATOM 0 HA ASN A 40 9.762 4.438 3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.236 4.675 5.836 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.560 5.466 4.306 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.907 7.965 4.779 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.502 6.855 3.540 1.00 0.00 H new ATOM 537 N TYR A 41 10.814 2.210 3.198 1.00 0.00 N ATOM 538 CA TYR A 41 11.401 0.877 3.137 1.00 0.00 C ATOM 539 C TYR A 41 12.581 0.845 2.170 1.00 0.00 C ATOM 540 O TYR A 41 12.511 1.392 1.069 1.00 0.00 O ATOM 541 CB TYR A 41 10.349 -0.148 2.709 1.00 0.00 C ATOM 542 CG TYR A 41 9.280 -0.389 3.751 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.451 -1.349 4.741 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.099 0.343 3.746 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.477 -1.574 5.695 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.120 0.126 4.697 1.00 0.00 C ATOM 547 CZ TYR A 41 7.314 -0.833 5.669 1.00 0.00 C ATOM 548 OH TYR A 41 6.341 -1.053 6.616 1.00 0.00 O ATOM 0 H TYR A 41 10.709 2.667 2.292 1.00 0.00 H new ATOM 0 HA TYR A 41 11.763 0.622 4.133 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.876 0.192 1.787 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.844 -1.092 2.484 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.361 -1.930 4.765 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.943 1.094 2.986 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.626 -2.325 6.456 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.208 0.704 4.679 1.00 0.00 H new ATOM 0 HH TYR A 41 5.587 -0.448 6.457 1.00 0.00 H new ATOM 558 N HIS A 42 13.664 0.200 2.589 1.00 0.00 N ATOM 559 CA HIS A 42 14.860 0.094 1.761 1.00 0.00 C ATOM 560 C HIS A 42 14.713 -1.026 0.735 1.00 0.00 C ATOM 561 O HIS A 42 13.753 -1.795 0.775 1.00 0.00 O ATOM 562 CB HIS A 42 16.090 -0.155 2.633 1.00 0.00 C ATOM 563 CG HIS A 42 16.423 0.988 3.541 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.081 0.829 4.743 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.186 2.315 3.417 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.233 2.008 5.319 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.699 2.927 4.534 1.00 0.00 N ATOM 0 H HIS A 42 13.738 -0.258 3.498 1.00 0.00 H new ATOM 0 HA HIS A 42 14.987 1.036 1.228 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.924 -1.049 3.234 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.946 -0.358 1.990 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.686 2.802 2.593 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.712 2.190 6.270 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.672 3.928 4.726 1.00 0.00 H new ATOM 575 N ILE A 43 15.670 -1.110 -0.183 1.00 0.00 N ATOM 576 CA ILE A 43 15.647 -2.135 -1.218 1.00 0.00 C ATOM 577 C ILE A 43 16.389 -3.389 -0.767 1.00 0.00 C ATOM 578 O ILE A 43 16.412 -4.397 -1.473 1.00 0.00 O ATOM 579 CB ILE A 43 16.274 -1.626 -2.530 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.687 -1.100 -2.274 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.403 -0.542 -3.147 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.567 -1.109 -3.505 1.00 0.00 C ATOM 0 H ILE A 43 16.471 -0.480 -0.231 1.00 0.00 H new ATOM 0 HA ILE A 43 14.600 -2.379 -1.396 1.00 0.00 H new ATOM 0 HB ILE A 43 16.338 -2.457 -3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.623 -0.082 -1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.156 -1.704 -1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 43 15.859 -0.192 -4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.414 -0.947 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.311 0.291 -2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.554 -0.723 -3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.661 -2.129 -3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.120 -0.481 -4.276 1.00 0.00 H new ATOM 594 N PHE A 44 16.993 -3.319 0.414 1.00 0.00 N ATOM 595 CA PHE A 44 17.735 -4.449 0.961 1.00 0.00 C ATOM 596 C PHE A 44 17.198 -4.838 2.336 1.00 0.00 C ATOM 597 O PHE A 44 17.842 -5.580 3.079 1.00 0.00 O ATOM 598 CB PHE A 44 19.224 -4.108 1.061 1.00 0.00 C ATOM 599 CG PHE A 44 19.491 -2.760 1.667 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.533 -2.600 3.042 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.699 -1.652 0.861 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.779 -1.361 3.603 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.946 -0.411 1.416 1.00 0.00 C ATOM 604 CZ PHE A 44 19.985 -0.265 2.789 1.00 0.00 C ATOM 0 H PHE A 44 16.983 -2.492 1.011 1.00 0.00 H new ATOM 0 HA PHE A 44 17.607 -5.296 0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.724 -4.871 1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.664 -4.143 0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.372 -3.454 3.684 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.668 -1.760 -0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.810 -1.250 4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.108 0.444 0.777 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.176 0.704 3.225 1.00 0.00 H new ATOM 614 N CYS A 45 16.015 -4.333 2.667 1.00 0.00 N ATOM 615 CA CYS A 45 15.390 -4.625 3.951 1.00 0.00 C ATOM 616 C CYS A 45 14.151 -5.496 3.767 1.00 0.00 C ATOM 617 O CYS A 45 13.736 -6.208 4.683 1.00 0.00 O ATOM 618 CB CYS A 45 15.013 -3.327 4.666 1.00 0.00 C ATOM 619 SG CYS A 45 16.390 -2.548 5.569 1.00 0.00 S ATOM 0 H CYS A 45 15.469 -3.719 2.063 1.00 0.00 H new ATOM 0 HA CYS A 45 16.109 -5.171 4.561 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.628 -2.619 3.932 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.203 -3.533 5.366 1.00 0.00 H new ATOM 0 HG CYS A 45 16.492 -1.302 5.214 1.00 0.00 H new ATOM 624 N LEU A 46 13.564 -5.436 2.577 1.00 0.00 N ATOM 625 CA LEU A 46 12.372 -6.219 2.271 1.00 0.00 C ATOM 626 C LEU A 46 12.712 -7.700 2.137 1.00 0.00 C ATOM 627 O LEU A 46 13.820 -8.126 2.468 1.00 0.00 O ATOM 628 CB LEU A 46 11.723 -5.715 0.980 1.00 0.00 C ATOM 629 CG LEU A 46 11.593 -4.197 0.843 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.360 -3.810 -0.609 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.466 -3.677 1.723 1.00 0.00 C ATOM 0 H LEU A 46 13.894 -4.853 1.808 1.00 0.00 H new ATOM 0 HA LEU A 46 11.669 -6.099 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.303 -6.088 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.728 -6.153 0.902 1.00 0.00 H new ATOM 0 HG LEU A 46 12.526 -3.740 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.270 -2.727 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.200 -4.149 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.443 -4.277 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.388 -2.595 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.526 -4.141 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.675 -3.922 2.764 1.00 0.00 H new ATOM 643 N LEU A 47 11.755 -8.480 1.648 1.00 0.00 N ATOM 644 CA LEU A 47 11.953 -9.914 1.467 1.00 0.00 C ATOM 645 C LEU A 47 10.806 -10.527 0.671 1.00 0.00 C ATOM 646 O LEU A 47 9.698 -10.714 1.174 1.00 0.00 O ATOM 647 CB LEU A 47 12.073 -10.607 2.826 1.00 0.00 C ATOM 648 CG LEU A 47 13.117 -11.720 2.922 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.679 -11.805 4.332 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.514 -13.054 2.504 1.00 0.00 C ATOM 0 H LEU A 47 10.833 -8.144 1.369 1.00 0.00 H new ATOM 0 HA LEU A 47 12.877 -10.060 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.306 -9.852 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.100 -11.025 3.085 1.00 0.00 H new ATOM 0 HG LEU A 47 13.935 -11.484 2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.420 -12.603 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.148 -10.857 4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.872 -12.017 5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.271 -13.835 2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.677 -13.296 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.161 -12.987 1.475 1.00 0.00 H new ATOM 662 N PRO A 48 11.076 -10.849 -0.603 1.00 0.00 N ATOM 663 CA PRO A 48 12.391 -10.631 -1.213 1.00 0.00 C ATOM 664 C PRO A 48 12.695 -9.151 -1.421 1.00 0.00 C ATOM 665 O PRO A 48 11.802 -8.337 -1.659 1.00 0.00 O ATOM 666 CB PRO A 48 12.280 -11.348 -2.561 1.00 0.00 C ATOM 667 CG PRO A 48 10.823 -11.350 -2.870 1.00 0.00 C ATOM 668 CD PRO A 48 10.118 -11.452 -1.545 1.00 0.00 C ATOM 0 HA PRO A 48 13.199 -11.002 -0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.848 -10.829 -3.333 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.674 -12.363 -2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.535 -10.440 -3.396 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.562 -12.188 -3.516 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.169 -10.916 -1.552 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.897 -12.487 -1.286 1.00 0.00 H new ATOM 676 N PRO A 49 13.984 -8.792 -1.330 1.00 0.00 N ATOM 677 CA PRO A 49 14.435 -7.409 -1.506 1.00 0.00 C ATOM 678 C PRO A 49 14.303 -6.935 -2.950 1.00 0.00 C ATOM 679 O PRO A 49 13.846 -7.679 -3.819 1.00 0.00 O ATOM 680 CB PRO A 49 15.908 -7.460 -1.093 1.00 0.00 C ATOM 681 CG PRO A 49 16.318 -8.873 -1.329 1.00 0.00 C ATOM 682 CD PRO A 49 15.101 -9.710 -1.050 1.00 0.00 C ATOM 0 HA PRO A 49 13.838 -6.709 -0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.509 -6.769 -1.684 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.036 -7.180 -0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.662 -9.014 -2.354 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.143 -9.154 -0.675 1.00 0.00 H new ATOM 0 HD2 PRO A 49 15.065 -10.593 -1.689 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.083 -10.062 -0.018 1.00 0.00 H new ATOM 690 N LEU A 50 14.707 -5.694 -3.199 1.00 0.00 N ATOM 691 CA LEU A 50 14.634 -5.121 -4.539 1.00 0.00 C ATOM 692 C LEU A 50 16.012 -4.672 -5.014 1.00 0.00 C ATOM 693 O LEU A 50 16.922 -4.431 -4.220 1.00 0.00 O ATOM 694 CB LEU A 50 13.665 -3.937 -4.557 1.00 0.00 C ATOM 695 CG LEU A 50 12.178 -4.289 -4.592 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.330 -3.039 -4.411 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.826 -4.990 -5.896 1.00 0.00 C ATOM 0 H LEU A 50 15.088 -5.066 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 50 14.269 -5.892 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.853 -3.326 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.893 -3.320 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 50 11.966 -4.970 -3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.274 -3.308 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.562 -2.578 -3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.546 -2.334 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.763 -5.233 -5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.054 -4.333 -6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.409 -5.907 -5.985 1.00 0.00 H new ATOM 709 N PRO A 51 16.172 -4.554 -6.341 1.00 0.00 N ATOM 710 CA PRO A 51 17.435 -4.131 -6.952 1.00 0.00 C ATOM 711 C PRO A 51 17.744 -2.661 -6.686 1.00 0.00 C ATOM 712 O PRO A 51 18.875 -2.305 -6.359 1.00 0.00 O ATOM 713 CB PRO A 51 17.203 -4.366 -8.447 1.00 0.00 C ATOM 714 CG PRO A 51 15.725 -4.285 -8.618 1.00 0.00 C ATOM 715 CD PRO A 51 15.131 -4.825 -7.346 1.00 0.00 C ATOM 0 HA PRO A 51 18.286 -4.679 -6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.713 -3.615 -9.050 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.585 -5.338 -8.759 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.408 -3.257 -8.791 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.399 -4.868 -9.479 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.194 -4.328 -7.098 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.915 -5.891 -7.424 1.00 0.00 H new ATOM 723 N GLU A 52 16.730 -1.813 -6.828 1.00 0.00 N ATOM 724 CA GLU A 52 16.895 -0.382 -6.603 1.00 0.00 C ATOM 725 C GLU A 52 15.544 0.327 -6.596 1.00 0.00 C ATOM 726 O GLU A 52 14.503 -0.297 -6.803 1.00 0.00 O ATOM 727 CB GLU A 52 17.797 0.226 -7.679 1.00 0.00 C ATOM 728 CG GLU A 52 17.122 0.360 -9.034 1.00 0.00 C ATOM 729 CD GLU A 52 18.034 -0.028 -10.181 1.00 0.00 C ATOM 730 OE1 GLU A 52 18.403 -1.217 -10.270 1.00 0.00 O ATOM 731 OE2 GLU A 52 18.378 0.859 -10.991 1.00 0.00 O ATOM 0 H GLU A 52 15.787 -2.092 -7.098 1.00 0.00 H new ATOM 0 HA GLU A 52 17.363 -0.245 -5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.129 1.210 -7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.688 -0.392 -7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.231 -0.267 -9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.791 1.389 -9.170 1.00 0.00 H new ATOM 738 N ILE A 53 15.570 1.634 -6.356 1.00 0.00 N ATOM 739 CA ILE A 53 14.348 2.428 -6.323 1.00 0.00 C ATOM 740 C ILE A 53 13.510 2.201 -7.577 1.00 0.00 C ATOM 741 O ILE A 53 14.006 2.254 -8.702 1.00 0.00 O ATOM 742 CB ILE A 53 14.657 3.931 -6.190 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.090 4.261 -4.760 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.442 4.758 -6.586 1.00 0.00 C ATOM 745 CD1 ILE A 53 13.976 4.125 -3.745 1.00 0.00 C ATOM 0 H ILE A 53 16.423 2.165 -6.182 1.00 0.00 H new ATOM 0 HA ILE A 53 13.784 2.103 -5.449 1.00 0.00 H new ATOM 0 HB ILE A 53 15.477 4.179 -6.864 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.911 3.603 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.474 5.281 -4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.675 5.818 -6.487 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.175 4.540 -7.620 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.604 4.509 -5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.355 4.374 -2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.163 4.803 -4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.607 3.099 -3.745 1.00 0.00 H new ATOM 757 N PRO A 54 12.209 1.944 -7.380 1.00 0.00 N ATOM 758 CA PRO A 54 11.273 1.706 -8.484 1.00 0.00 C ATOM 759 C PRO A 54 11.002 2.968 -9.296 1.00 0.00 C ATOM 760 O PRO A 54 11.419 4.063 -8.917 1.00 0.00 O ATOM 761 CB PRO A 54 9.998 1.243 -7.775 1.00 0.00 C ATOM 762 CG PRO A 54 10.086 1.836 -6.411 1.00 0.00 C ATOM 763 CD PRO A 54 11.549 1.866 -6.066 1.00 0.00 C ATOM 0 HA PRO A 54 11.664 0.985 -9.201 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.106 1.587 -8.299 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.942 0.155 -7.731 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.660 2.839 -6.393 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.527 1.240 -5.690 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.797 2.724 -5.441 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.851 0.974 -5.517 1.00 0.00 H new ATOM 771 N ARG A 55 10.301 2.808 -10.413 1.00 0.00 N ATOM 772 CA ARG A 55 9.975 3.935 -11.279 1.00 0.00 C ATOM 773 C ARG A 55 8.578 4.469 -10.974 1.00 0.00 C ATOM 774 O ARG A 55 8.426 5.543 -10.394 1.00 0.00 O ATOM 775 CB ARG A 55 10.064 3.519 -12.749 1.00 0.00 C ATOM 776 CG ARG A 55 11.482 3.230 -13.215 1.00 0.00 C ATOM 777 CD ARG A 55 11.491 2.374 -14.472 1.00 0.00 C ATOM 778 NE ARG A 55 12.020 1.036 -14.219 1.00 0.00 N ATOM 779 CZ ARG A 55 13.312 0.775 -14.054 1.00 0.00 C ATOM 780 NH1 ARG A 55 14.202 1.756 -14.115 1.00 0.00 N ATOM 781 NH2 ARG A 55 13.716 -0.468 -13.827 1.00 0.00 N ATOM 0 H ARG A 55 9.948 1.909 -10.740 1.00 0.00 H new ATOM 0 HA ARG A 55 10.698 4.728 -11.089 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.451 2.631 -12.904 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.641 4.310 -13.368 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.001 4.169 -13.409 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.030 2.721 -12.422 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.477 2.295 -14.864 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.092 2.862 -15.239 1.00 0.00 H new ATOM 0 HE ARG A 55 11.361 0.259 -14.166 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.895 2.713 -14.289 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.194 1.554 -13.988 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.034 -1.225 -13.779 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.708 -0.667 -13.701 1.00 0.00 H new ATOM 795 N GLY A 56 7.561 3.710 -11.371 1.00 0.00 N ATOM 796 CA GLY A 56 6.190 4.124 -11.132 1.00 0.00 C ATOM 797 C GLY A 56 5.834 4.128 -9.659 1.00 0.00 C ATOM 798 O GLY A 56 6.663 4.470 -8.815 1.00 0.00 O ATOM 0 H GLY A 56 7.662 2.817 -11.853 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.039 5.123 -11.542 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.514 3.455 -11.664 1.00 0.00 H new ATOM 802 N ILE A 57 4.599 3.750 -9.349 1.00 0.00 N ATOM 803 CA ILE A 57 4.136 3.712 -7.968 1.00 0.00 C ATOM 804 C ILE A 57 4.531 2.405 -7.291 1.00 0.00 C ATOM 805 O ILE A 57 4.317 1.322 -7.836 1.00 0.00 O ATOM 806 CB ILE A 57 2.607 3.880 -7.882 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.185 5.225 -8.477 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.142 3.764 -6.438 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.687 5.381 -8.616 1.00 0.00 C ATOM 0 H ILE A 57 3.901 3.466 -10.036 1.00 0.00 H new ATOM 0 HA ILE A 57 4.615 4.544 -7.452 1.00 0.00 H new ATOM 0 HB ILE A 57 2.136 3.085 -8.460 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.569 6.028 -7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.647 5.340 -9.458 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.060 3.885 -6.393 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.414 2.784 -6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.619 4.540 -5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.461 6.358 -9.044 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.299 4.600 -9.270 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.220 5.298 -7.635 1.00 0.00 H new ATOM 821 N TRP A 58 5.107 2.513 -6.099 1.00 0.00 N ATOM 822 CA TRP A 58 5.531 1.338 -5.346 1.00 0.00 C ATOM 823 C TRP A 58 4.780 1.240 -4.022 1.00 0.00 C ATOM 824 O TRP A 58 4.535 2.249 -3.361 1.00 0.00 O ATOM 825 CB TRP A 58 7.038 1.388 -5.088 1.00 0.00 C ATOM 826 CG TRP A 58 7.538 0.242 -4.263 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.062 -0.932 -4.724 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.560 0.159 -2.834 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.408 -1.740 -3.667 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.111 -1.092 -2.497 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.169 1.022 -1.806 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.278 -1.500 -1.176 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.336 0.616 -0.496 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.887 -0.636 -0.190 1.00 0.00 C ATOM 0 H TRP A 58 5.291 3.402 -5.633 1.00 0.00 H new ATOM 0 HA TRP A 58 5.300 0.454 -5.940 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.563 1.395 -6.043 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.282 2.323 -4.584 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.186 -1.188 -5.766 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.819 -2.671 -3.742 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.744 1.989 -2.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.701 -2.465 -0.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.037 1.275 0.306 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.005 -0.924 0.844 1.00 0.00 H new ATOM 845 N ARG A 59 4.418 0.019 -3.642 1.00 0.00 N ATOM 846 CA ARG A 59 3.694 -0.209 -2.397 1.00 0.00 C ATOM 847 C ARG A 59 4.488 -1.121 -1.466 1.00 0.00 C ATOM 848 O ARG A 59 5.385 -1.843 -1.902 1.00 0.00 O ATOM 849 CB ARG A 59 2.323 -0.826 -2.685 1.00 0.00 C ATOM 850 CG ARG A 59 1.169 0.147 -2.508 1.00 0.00 C ATOM 851 CD ARG A 59 -0.078 -0.556 -1.995 1.00 0.00 C ATOM 852 NE ARG A 59 -1.197 -0.433 -2.925 1.00 0.00 N ATOM 853 CZ ARG A 59 -1.328 -1.173 -4.020 1.00 0.00 C ATOM 854 NH1 ARG A 59 -0.415 -2.085 -4.321 1.00 0.00 N ATOM 855 NH2 ARG A 59 -2.375 -1.001 -4.817 1.00 0.00 N ATOM 0 H ARG A 59 4.614 -0.827 -4.178 1.00 0.00 H new ATOM 0 HA ARG A 59 3.556 0.754 -1.905 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.313 -1.207 -3.706 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.172 -1.680 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.458 0.933 -1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.950 0.631 -3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.142 -1.611 -1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.361 -0.135 -1.030 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.918 0.260 -2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.391 -2.220 -3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.518 -2.652 -5.163 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.080 -0.300 -4.589 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.475 -1.570 -5.658 1.00 0.00 H new ATOM 869 N CYS A 60 4.152 -1.082 -0.181 1.00 0.00 N ATOM 870 CA CYS A 60 4.833 -1.903 0.813 1.00 0.00 C ATOM 871 C CYS A 60 4.052 -3.186 1.087 1.00 0.00 C ATOM 872 O CYS A 60 2.851 -3.278 0.830 1.00 0.00 O ATOM 873 CB CYS A 60 5.018 -1.118 2.113 1.00 0.00 C ATOM 874 SG CYS A 60 3.515 -1.010 3.137 1.00 0.00 S ATOM 0 H CYS A 60 3.412 -0.490 0.197 1.00 0.00 H new ATOM 0 HA CYS A 60 5.812 -2.172 0.416 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.810 -1.586 2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.353 -0.109 1.871 1.00 0.00 H new ATOM 0 HG CYS A 60 3.330 0.222 3.508 1.00 0.00 H new ATOM 879 N PRO A 61 4.749 -4.200 1.620 1.00 0.00 N ATOM 880 CA PRO A 61 4.142 -5.495 1.941 1.00 0.00 C ATOM 881 C PRO A 61 3.178 -5.407 3.120 1.00 0.00 C ATOM 882 O PRO A 61 2.279 -6.235 3.263 1.00 0.00 O ATOM 883 CB PRO A 61 5.345 -6.372 2.298 1.00 0.00 C ATOM 884 CG PRO A 61 6.389 -5.414 2.756 1.00 0.00 C ATOM 885 CD PRO A 61 6.183 -4.160 1.952 1.00 0.00 C ATOM 0 HA PRO A 61 3.546 -5.882 1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.094 -7.088 3.080 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.685 -6.947 1.437 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.293 -5.213 3.823 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.388 -5.820 2.596 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.438 -3.269 2.525 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.803 -4.151 1.056 1.00 0.00 H new ATOM 893 N LYS A 62 3.372 -4.398 3.963 1.00 0.00 N ATOM 894 CA LYS A 62 2.520 -4.201 5.129 1.00 0.00 C ATOM 895 C LYS A 62 1.126 -3.742 4.713 1.00 0.00 C ATOM 896 O LYS A 62 0.168 -3.863 5.477 1.00 0.00 O ATOM 897 CB LYS A 62 3.145 -3.173 6.075 1.00 0.00 C ATOM 898 CG LYS A 62 3.909 -3.795 7.231 1.00 0.00 C ATOM 899 CD LYS A 62 3.032 -3.945 8.463 1.00 0.00 C ATOM 900 CE LYS A 62 3.709 -4.793 9.529 1.00 0.00 C ATOM 901 NZ LYS A 62 2.792 -5.094 10.663 1.00 0.00 N ATOM 0 H LYS A 62 4.112 -3.704 3.860 1.00 0.00 H new ATOM 0 HA LYS A 62 2.430 -5.156 5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.820 -2.533 5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.358 -2.533 6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.289 -4.772 6.933 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.773 -3.176 7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.804 -2.960 8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.083 -4.401 8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.056 -5.726 9.085 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.590 -4.271 9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.291 -5.674 11.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.481 -4.205 11.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.963 -5.614 10.311 1.00 0.00 H new ATOM 915 N CYS A 63 1.019 -3.218 3.497 1.00 0.00 N ATOM 916 CA CYS A 63 -0.258 -2.743 2.978 1.00 0.00 C ATOM 917 C CYS A 63 -0.851 -3.744 1.991 1.00 0.00 C ATOM 918 O CYS A 63 -2.054 -4.004 2.003 1.00 0.00 O ATOM 919 CB CYS A 63 -0.081 -1.383 2.298 1.00 0.00 C ATOM 920 SG CYS A 63 0.035 0.018 3.456 1.00 0.00 S ATOM 0 H CYS A 63 1.802 -3.111 2.852 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.946 -2.636 3.817 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.820 -1.410 1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.920 -1.214 1.623 1.00 0.00 H new ATOM 0 HG CYS A 63 1.270 0.415 3.535 1.00 0.00 H new ATOM 925 N ILE A 64 0.002 -4.303 1.139 1.00 0.00 N ATOM 926 CA ILE A 64 -0.437 -5.276 0.147 1.00 0.00 C ATOM 927 C ILE A 64 -0.914 -6.563 0.813 1.00 0.00 C ATOM 928 O ILE A 64 -1.959 -7.108 0.458 1.00 0.00 O ATOM 929 CB ILE A 64 0.690 -5.614 -0.847 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.169 -4.346 -1.558 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.212 -6.646 -1.858 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.559 -4.469 -2.141 1.00 0.00 C ATOM 0 H ILE A 64 1.001 -4.099 1.116 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.266 -4.821 -0.396 1.00 0.00 H new ATOM 0 HB ILE A 64 1.529 -6.037 -0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.469 -4.101 -2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.152 -3.515 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.019 -6.875 -2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.086 -7.555 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.640 -6.248 -2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.833 -3.534 -2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.270 -4.684 -1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.577 -5.278 -2.871 1.00 0.00 H new ATOM 944 N LEU A 65 -0.141 -7.042 1.782 1.00 0.00 N ATOM 945 CA LEU A 65 -0.486 -8.264 2.500 1.00 0.00 C ATOM 946 C LEU A 65 -1.764 -8.078 3.311 1.00 0.00 C ATOM 947 O LEU A 65 -2.394 -9.050 3.727 1.00 0.00 O ATOM 948 CB LEU A 65 0.662 -8.676 3.424 1.00 0.00 C ATOM 949 CG LEU A 65 1.971 -9.066 2.736 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.117 -9.076 3.736 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.836 -10.425 2.064 1.00 0.00 C ATOM 0 H LEU A 65 0.728 -6.603 2.088 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.656 -9.052 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.866 -7.851 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.329 -9.518 4.031 1.00 0.00 H new ATOM 0 HG LEU A 65 2.191 -8.324 1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.040 -9.356 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.229 -8.083 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.904 -9.797 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.777 -10.686 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.592 -11.179 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.043 -10.385 1.318 1.00 0.00 H new ATOM 963 N ALA A 66 -2.143 -6.823 3.529 1.00 0.00 N ATOM 964 CA ALA A 66 -3.349 -6.510 4.285 1.00 0.00 C ATOM 965 C ALA A 66 -4.541 -6.300 3.357 1.00 0.00 C ATOM 966 O ALA A 66 -5.673 -6.635 3.702 1.00 0.00 O ATOM 967 CB ALA A 66 -3.126 -5.275 5.146 1.00 0.00 C ATOM 0 H ALA A 66 -1.632 -6.007 3.193 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.571 -7.358 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.035 -5.052 5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.308 -5.460 5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.876 -4.427 4.508 1.00 0.00 H new ATOM 973 N GLU A 67 -4.277 -5.744 2.178 1.00 0.00 N ATOM 974 CA GLU A 67 -5.329 -5.489 1.202 1.00 0.00 C ATOM 975 C GLU A 67 -5.657 -6.754 0.413 1.00 0.00 C ATOM 976 O GLU A 67 -6.785 -6.937 -0.046 1.00 0.00 O ATOM 977 CB GLU A 67 -4.908 -4.373 0.244 1.00 0.00 C ATOM 978 CG GLU A 67 -4.848 -3.002 0.897 1.00 0.00 C ATOM 979 CD GLU A 67 -6.222 -2.461 1.244 1.00 0.00 C ATOM 980 OE1 GLU A 67 -6.956 -2.064 0.315 1.00 0.00 O ATOM 981 OE2 GLU A 67 -6.562 -2.435 2.445 1.00 0.00 O ATOM 0 H GLU A 67 -3.344 -5.462 1.877 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.222 -5.176 1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.929 -4.612 -0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.608 -4.338 -0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.245 -3.061 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.346 -2.305 0.225 1.00 0.00 H new ATOM 988 N CYS A 68 -4.664 -7.622 0.260 1.00 0.00 N ATOM 989 CA CYS A 68 -4.845 -8.870 -0.474 1.00 0.00 C ATOM 990 C CYS A 68 -6.040 -9.649 0.065 1.00 0.00 C ATOM 991 O CYS A 68 -6.756 -10.309 -0.689 1.00 0.00 O ATOM 992 CB CYS A 68 -3.581 -9.726 -0.387 1.00 0.00 C ATOM 993 SG CYS A 68 -2.728 -9.946 -1.966 1.00 0.00 S ATOM 0 H CYS A 68 -3.725 -7.485 0.634 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.036 -8.624 -1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.894 -9.268 0.324 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.845 -10.706 0.010 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.671 -10.682 -1.789 1.00 0.00 H new