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= 1.05 USER MOD Set 1.2: A 37 CYS SG : rot -50:sc= 0.318 USER MOD Set 1.3: A 60 CYS SG : rot -135:sc= 0.539 USER MOD Set 1.4: A 63 CYS SG : rot 103:sc= 0.216 USER MOD Set 2.1: A 19 CYS SG : rot 149:sc= 0.525 USER MOD Set 2.2: A 22 CYS SG : rot -56:sc= -0.0301 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -2.91 K(o=-2.4,f=-2.9) USER MOD Set 2.4: A 45 CYS SG : rot 130:sc= 0.0305 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= -0.0553 K(o=-0.055,f=-1.3) USER MOD Single : A 23 SER OG : rot -65:sc= 0.781 USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= -0.0618 (180deg=-0.566) USER MOD Single : A 40 ASN : amide:sc= -2.56 K(o=-2.6,f=-3.5) 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 10.812 13.947 7.885 1.00 0.00 N ATOM 184 CA SER A 16 11.885 12.959 7.853 1.00 0.00 C ATOM 185 C SER A 16 11.351 11.590 7.443 1.00 0.00 C ATOM 186 O SER A 16 10.155 11.320 7.552 1.00 0.00 O ATOM 187 CB SER A 16 12.562 12.867 9.222 1.00 0.00 C ATOM 188 OG SER A 16 13.967 13.010 9.107 1.00 0.00 O ATOM 0 HA SER A 16 12.619 13.279 7.113 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.167 13.642 9.879 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.328 11.908 9.683 1.00 0.00 H new ATOM 0 HG SER A 16 14.376 12.949 9.996 1.00 0.00 H new ATOM 194 N TYR A 17 12.247 10.731 6.971 1.00 0.00 N ATOM 195 CA TYR A 17 11.868 9.390 6.542 1.00 0.00 C ATOM 196 C TYR A 17 12.803 8.342 7.138 1.00 0.00 C ATOM 197 O TYR A 17 13.978 8.267 6.778 1.00 0.00 O ATOM 198 CB TYR A 17 11.885 9.296 5.016 1.00 0.00 C ATOM 199 CG TYR A 17 11.206 10.460 4.330 1.00 0.00 C ATOM 200 CD1 TYR A 17 9.900 10.814 4.649 1.00 0.00 C ATOM 201 CD2 TYR A 17 11.869 11.206 3.363 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.275 11.876 4.024 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.252 12.270 2.735 1.00 0.00 C ATOM 204 CZ TYR A 17 9.956 12.602 3.069 1.00 0.00 C ATOM 205 OH TYR A 17 9.338 13.661 2.444 1.00 0.00 O ATOM 0 H TYR A 17 13.241 10.939 6.876 1.00 0.00 H new ATOM 0 HA TYR A 17 10.857 9.194 6.900 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.919 9.237 4.675 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.396 8.370 4.712 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.365 10.249 5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 17 12.884 10.949 3.098 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.259 12.136 4.282 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.782 12.839 1.986 1.00 0.00 H new ATOM 0 HH TYR A 17 9.955 14.066 1.800 1.00 0.00 H new ATOM 215 N ILE A 18 12.272 7.534 8.049 1.00 0.00 N ATOM 216 CA ILE A 18 13.057 6.489 8.694 1.00 0.00 C ATOM 217 C ILE A 18 12.558 5.104 8.299 1.00 0.00 C ATOM 218 O ILE A 18 11.358 4.828 8.345 1.00 0.00 O ATOM 219 CB ILE A 18 13.017 6.620 10.228 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.274 8.069 10.645 1.00 0.00 C ATOM 221 CG2 ILE A 18 14.038 5.690 10.866 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.633 8.586 10.227 1.00 0.00 C ATOM 0 H ILE A 18 11.301 7.583 8.357 1.00 0.00 H new ATOM 0 HA ILE A 18 14.085 6.612 8.355 1.00 0.00 H new ATOM 0 HB ILE A 18 12.025 6.332 10.577 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.503 8.706 10.211 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.181 8.149 11.728 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.998 5.794 11.950 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.813 4.659 10.592 1.00 0.00 H new ATOM 0 HG23 ILE A 18 15.036 5.949 10.514 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.746 9.619 10.556 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.411 7.973 10.682 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.722 8.539 9.142 1.00 0.00 H new ATOM 234 N CYS A 19 13.485 4.234 7.913 1.00 0.00 N ATOM 235 CA CYS A 19 13.141 2.875 7.512 1.00 0.00 C ATOM 236 C CYS A 19 12.282 2.196 8.574 1.00 0.00 C ATOM 237 O CYS A 19 12.391 2.499 9.762 1.00 0.00 O ATOM 238 CB CYS A 19 14.410 2.057 7.266 1.00 0.00 C ATOM 239 SG CYS A 19 14.118 0.470 6.419 1.00 0.00 S ATOM 0 H CYS A 19 14.482 4.446 7.869 1.00 0.00 H new ATOM 0 HA CYS A 19 12.567 2.930 6.587 1.00 0.00 H new ATOM 0 HB2 CYS A 19 15.104 2.652 6.672 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.895 1.863 8.222 1.00 0.00 H new ATOM 0 HG CYS A 19 15.155 0.167 5.696 1.00 0.00 H new ATOM 244 N GLN A 20 11.428 1.276 8.137 1.00 0.00 N ATOM 245 CA GLN A 20 10.550 0.554 9.050 1.00 0.00 C ATOM 246 C GLN A 20 11.070 -0.857 9.304 1.00 0.00 C ATOM 247 O GLN A 20 10.316 -1.746 9.700 1.00 0.00 O ATOM 248 CB GLN A 20 9.130 0.492 8.485 1.00 0.00 C ATOM 249 CG GLN A 20 8.260 1.669 8.896 1.00 0.00 C ATOM 250 CD GLN A 20 7.846 1.608 10.353 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.971 0.569 11.003 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.350 2.724 10.875 1.00 0.00 N ATOM 0 H GLN A 20 11.326 1.013 7.157 1.00 0.00 H new ATOM 0 HA GLN A 20 10.533 1.092 9.998 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.182 0.452 7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.656 -0.432 8.816 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.802 2.597 8.715 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.368 1.693 8.270 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.264 3.562 10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.055 2.743 11.851 1.00 0.00 H new ATOM 261 N VAL A 21 12.364 -1.057 9.071 1.00 0.00 N ATOM 262 CA VAL A 21 12.985 -2.360 9.275 1.00 0.00 C ATOM 263 C VAL A 21 14.276 -2.234 10.078 1.00 0.00 C ATOM 264 O VAL A 21 14.540 -3.031 10.978 1.00 0.00 O ATOM 265 CB VAL A 21 13.294 -3.050 7.934 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.971 -4.392 8.167 1.00 0.00 C ATOM 267 CG2 VAL A 21 12.021 -3.221 7.118 1.00 0.00 C ATOM 0 H VAL A 21 13.002 -0.333 8.741 1.00 0.00 H new ATOM 0 HA VAL A 21 12.271 -2.967 9.832 1.00 0.00 H new ATOM 0 HB VAL A 21 13.979 -2.418 7.369 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.182 -4.865 7.208 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.904 -4.239 8.709 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.313 -5.035 8.752 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.257 -3.710 6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.311 -3.832 7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.582 -2.243 6.920 1.00 0.00 H new ATOM 277 N CYS A 22 15.076 -1.226 9.746 1.00 0.00 N ATOM 278 CA CYS A 22 16.340 -0.994 10.435 1.00 0.00 C ATOM 279 C CYS A 22 16.325 0.348 11.161 1.00 0.00 C ATOM 280 O CYS A 22 17.201 0.634 11.977 1.00 0.00 O ATOM 281 CB CYS A 22 17.502 -1.035 9.441 1.00 0.00 C ATOM 282 SG CYS A 22 17.444 0.272 8.174 1.00 0.00 S ATOM 0 H CYS A 22 14.871 -0.557 9.004 1.00 0.00 H new ATOM 0 HA CYS A 22 16.474 -1.785 11.173 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.439 -0.952 9.991 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.508 -2.006 8.946 1.00 0.00 H new ATOM 0 HG CYS A 22 16.311 0.211 7.540 1.00 0.00 H new ATOM 287 N SER A 23 15.323 1.167 10.858 1.00 0.00 N ATOM 288 CA SER A 23 15.195 2.481 11.479 1.00 0.00 C ATOM 289 C SER A 23 16.432 3.332 11.208 1.00 0.00 C ATOM 290 O SER A 23 17.159 3.701 12.131 1.00 0.00 O ATOM 291 CB SER A 23 14.981 2.337 12.987 1.00 0.00 C ATOM 292 OG SER A 23 15.041 3.597 13.633 1.00 0.00 O ATOM 0 H SER A 23 14.588 0.944 10.187 1.00 0.00 H new ATOM 0 HA SER A 23 14.329 2.980 11.043 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.013 1.873 13.178 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.740 1.675 13.404 1.00 0.00 H new ATOM 0 HG SER A 23 15.943 3.969 13.541 1.00 0.00 H new ATOM 298 N ARG A 24 16.664 3.640 9.937 1.00 0.00 N ATOM 299 CA ARG A 24 17.813 4.447 9.543 1.00 0.00 C ATOM 300 C ARG A 24 17.373 5.652 8.718 1.00 0.00 C ATOM 301 O ARG A 24 16.222 5.741 8.293 1.00 0.00 O ATOM 302 CB ARG A 24 18.806 3.602 8.743 1.00 0.00 C ATOM 303 CG ARG A 24 19.715 2.746 9.610 1.00 0.00 C ATOM 304 CD ARG A 24 20.740 3.594 10.347 1.00 0.00 C ATOM 305 NE ARG A 24 21.497 2.813 11.322 1.00 0.00 N ATOM 306 CZ ARG A 24 22.478 1.980 10.993 1.00 0.00 C ATOM 307 NH1 ARG A 24 22.820 1.821 9.722 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.120 1.304 11.937 1.00 0.00 N ATOM 0 H ARG A 24 16.072 3.343 9.162 1.00 0.00 H new ATOM 0 HA ARG A 24 18.301 4.807 10.449 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.253 2.955 8.062 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.419 4.262 8.129 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.115 2.190 10.330 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.228 2.012 8.988 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.427 4.039 9.627 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.234 4.415 10.855 1.00 0.00 H new ATOM 0 HE ARG A 24 21.259 2.913 12.309 1.00 0.00 H new ATOM 0 HH11 ARG A 24 22.329 2.339 8.993 1.00 0.00 H new ATOM 0 HH12 ARG A 24 23.574 1.181 9.473 1.00 0.00 H new ATOM 0 HH21 ARG A 24 22.860 1.424 12.916 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.873 0.665 11.684 1.00 0.00 H new ATOM 322 N GLY A 25 18.300 6.580 8.495 1.00 0.00 N ATOM 323 CA GLY A 25 17.989 7.768 7.722 1.00 0.00 C ATOM 324 C GLY A 25 19.012 8.038 6.636 1.00 0.00 C ATOM 325 O GLY A 25 18.666 8.501 5.549 1.00 0.00 O ATOM 0 H GLY A 25 19.260 6.530 8.836 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.004 7.655 7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.936 8.628 8.389 1.00 0.00 H new ATOM 329 N ASP A 26 20.275 7.750 6.931 1.00 0.00 N ATOM 330 CA ASP A 26 21.352 7.965 5.972 1.00 0.00 C ATOM 331 C ASP A 26 21.117 7.155 4.700 1.00 0.00 C ATOM 332 O ASP A 26 21.650 7.480 3.640 1.00 0.00 O ATOM 333 CB ASP A 26 22.698 7.585 6.591 1.00 0.00 C ATOM 334 CG ASP A 26 23.392 8.767 7.238 1.00 0.00 C ATOM 335 OD1 ASP A 26 22.847 9.309 8.222 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.480 9.152 6.759 1.00 0.00 O ATOM 0 H ASP A 26 20.578 7.367 7.827 1.00 0.00 H new ATOM 0 HA ASP A 26 21.366 9.023 5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.544 6.805 7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.344 7.166 5.820 1.00 0.00 H new ATOM 341 N GLU A 27 20.316 6.100 4.816 1.00 0.00 N ATOM 342 CA GLU A 27 20.013 5.244 3.675 1.00 0.00 C ATOM 343 C GLU A 27 18.816 5.780 2.895 1.00 0.00 C ATOM 344 O GLU A 27 18.404 5.199 1.891 1.00 0.00 O ATOM 345 CB GLU A 27 19.732 3.815 4.142 1.00 0.00 C ATOM 346 CG GLU A 27 20.987 2.978 4.331 1.00 0.00 C ATOM 347 CD GLU A 27 21.752 2.775 3.037 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.148 2.949 1.958 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.954 2.443 3.104 1.00 0.00 O ATOM 0 H GLU A 27 19.866 5.818 5.687 1.00 0.00 H new ATOM 0 HA GLU A 27 20.881 5.240 3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.184 3.851 5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.085 3.325 3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.636 3.462 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.713 2.007 4.743 1.00 0.00 H new ATOM 356 N ASP A 28 18.261 6.892 3.366 1.00 0.00 N ATOM 357 CA ASP A 28 17.111 7.508 2.714 1.00 0.00 C ATOM 358 C ASP A 28 17.362 7.681 1.219 1.00 0.00 C ATOM 359 O ASP A 28 16.426 7.694 0.420 1.00 0.00 O ATOM 360 CB ASP A 28 16.801 8.863 3.352 1.00 0.00 C ATOM 361 CG ASP A 28 17.897 9.881 3.109 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.085 9.505 3.188 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.567 11.056 2.840 1.00 0.00 O ATOM 0 H ASP A 28 18.589 7.385 4.197 1.00 0.00 H new ATOM 0 HA ASP A 28 16.253 6.848 2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.861 9.243 2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.661 8.733 4.425 1.00 0.00 H new ATOM 368 N ASP A 29 18.631 7.814 0.850 1.00 0.00 N ATOM 369 CA ASP A 29 19.005 7.987 -0.549 1.00 0.00 C ATOM 370 C ASP A 29 18.369 6.907 -1.419 1.00 0.00 C ATOM 371 O ASP A 29 18.098 7.126 -2.600 1.00 0.00 O ATOM 372 CB ASP A 29 20.527 7.950 -0.700 1.00 0.00 C ATOM 373 CG ASP A 29 21.179 9.262 -0.313 1.00 0.00 C ATOM 374 OD1 ASP A 29 20.470 10.290 -0.277 1.00 0.00 O ATOM 375 OD2 ASP A 29 22.399 9.262 -0.047 1.00 0.00 O ATOM 0 H ASP A 29 19.418 7.805 1.499 1.00 0.00 H new ATOM 0 HA ASP A 29 18.638 8.958 -0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.931 7.150 -0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.781 7.712 -1.733 1.00 0.00 H new ATOM 380 N LYS A 30 18.133 5.741 -0.828 1.00 0.00 N ATOM 381 CA LYS A 30 17.529 4.626 -1.548 1.00 0.00 C ATOM 382 C LYS A 30 16.270 4.139 -0.838 1.00 0.00 C ATOM 383 O LYS A 30 15.946 2.951 -0.872 1.00 0.00 O ATOM 384 CB LYS A 30 18.529 3.476 -1.681 1.00 0.00 C ATOM 385 CG LYS A 30 19.558 3.689 -2.779 1.00 0.00 C ATOM 386 CD LYS A 30 20.542 2.533 -2.852 1.00 0.00 C ATOM 387 CE LYS A 30 20.720 2.043 -4.281 1.00 0.00 C ATOM 388 NZ LYS A 30 21.033 3.159 -5.216 1.00 0.00 N ATOM 0 H LYS A 30 18.351 5.543 0.149 1.00 0.00 H new ATOM 0 HA LYS A 30 17.253 4.975 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.046 3.343 -0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.984 2.553 -1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.051 3.798 -3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.099 4.618 -2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.506 2.848 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.189 1.713 -2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.522 1.306 -4.315 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.810 1.540 -4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.592 2.796 -6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.148 3.572 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.579 3.889 -4.715 1.00 0.00 H new ATOM 402 N LEU A 31 15.563 5.062 -0.196 1.00 0.00 N ATOM 403 CA LEU A 31 14.338 4.727 0.522 1.00 0.00 C ATOM 404 C LEU A 31 13.137 4.736 -0.418 1.00 0.00 C ATOM 405 O LEU A 31 13.055 5.560 -1.331 1.00 0.00 O ATOM 406 CB LEU A 31 14.110 5.712 1.669 1.00 0.00 C ATOM 407 CG LEU A 31 14.313 5.158 3.080 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.080 6.244 4.119 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.388 3.975 3.327 1.00 0.00 C ATOM 0 H LEU A 31 15.817 6.049 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 31 14.449 3.723 0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.782 6.559 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.093 6.097 1.594 1.00 0.00 H new ATOM 0 HG LEU A 31 15.343 4.813 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.229 5.831 5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.783 7.061 3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.061 6.620 4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.546 3.594 4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.352 4.295 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.603 3.188 2.604 1.00 0.00 H new ATOM 421 N LEU A 32 12.206 3.817 -0.188 1.00 0.00 N ATOM 422 CA LEU A 32 11.006 3.721 -1.013 1.00 0.00 C ATOM 423 C LEU A 32 9.794 4.287 -0.281 1.00 0.00 C ATOM 424 O LEU A 32 9.719 4.238 0.947 1.00 0.00 O ATOM 425 CB LEU A 32 10.747 2.264 -1.402 1.00 0.00 C ATOM 426 CG LEU A 32 11.546 1.735 -2.594 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.984 1.452 -2.189 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.893 0.482 -3.159 1.00 0.00 C ATOM 0 H LEU A 32 12.258 3.128 0.562 1.00 0.00 H new ATOM 0 HA LEU A 32 11.168 4.309 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.962 1.635 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.686 2.151 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 32 11.553 2.499 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.537 1.076 -3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.449 2.371 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.998 0.706 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.475 0.119 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.856 -0.288 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.880 0.716 -3.488 1.00 0.00 H new ATOM 440 N PHE A 33 8.846 4.823 -1.042 1.00 0.00 N ATOM 441 CA PHE A 33 7.636 5.397 -0.465 1.00 0.00 C ATOM 442 C PHE A 33 6.406 4.587 -0.864 1.00 0.00 C ATOM 443 O PHE A 33 6.214 4.264 -2.037 1.00 0.00 O ATOM 444 CB PHE A 33 7.472 6.850 -0.915 1.00 0.00 C ATOM 445 CG PHE A 33 8.730 7.662 -0.793 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.387 7.767 0.422 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.256 8.319 -1.894 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.545 8.513 0.537 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.413 9.066 -1.785 1.00 0.00 C ATOM 450 CZ PHE A 33 11.059 9.162 -0.568 1.00 0.00 C ATOM 0 H PHE A 33 8.892 4.872 -2.060 1.00 0.00 H new ATOM 0 HA PHE A 33 7.731 5.368 0.620 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.139 6.865 -1.953 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.687 7.319 -0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.990 7.260 1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.756 8.246 -2.848 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.047 8.588 1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.812 9.574 -2.650 1.00 0.00 H new ATOM 0 HZ PHE A 33 11.965 9.744 -0.481 1.00 0.00 H new ATOM 460 N CYS A 34 5.575 4.262 0.120 1.00 0.00 N ATOM 461 CA CYS A 34 4.363 3.489 -0.125 1.00 0.00 C ATOM 462 C CYS A 34 3.201 4.405 -0.500 1.00 0.00 C ATOM 463 O CYS A 34 3.019 5.468 0.093 1.00 0.00 O ATOM 464 CB CYS A 34 4.000 2.665 1.111 1.00 0.00 C ATOM 465 SG CYS A 34 2.370 1.856 1.013 1.00 0.00 S ATOM 0 H CYS A 34 5.719 4.522 1.096 1.00 0.00 H new ATOM 0 HA CYS A 34 4.554 2.814 -0.959 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.764 1.902 1.263 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.019 3.315 1.986 1.00 0.00 H new ATOM 0 HG CYS A 34 2.395 0.746 1.690 1.00 0.00 H new ATOM 470 N ASP A 35 2.417 3.983 -1.486 1.00 0.00 N ATOM 471 CA ASP A 35 1.271 4.763 -1.939 1.00 0.00 C ATOM 472 C ASP A 35 0.009 4.365 -1.180 1.00 0.00 C ATOM 473 O ASP A 35 -1.048 4.162 -1.776 1.00 0.00 O ATOM 474 CB ASP A 35 1.059 4.573 -3.442 1.00 0.00 C ATOM 475 CG ASP A 35 -0.003 5.500 -3.998 1.00 0.00 C ATOM 476 OD1 ASP A 35 0.014 6.699 -3.650 1.00 0.00 O ATOM 477 OD2 ASP A 35 -0.851 5.026 -4.784 1.00 0.00 O ATOM 0 H ASP A 35 2.554 3.105 -1.987 1.00 0.00 H new ATOM 0 HA ASP A 35 1.477 5.815 -1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.000 4.749 -3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.774 3.539 -3.638 1.00 0.00 H new ATOM 482 N GLY A 36 0.127 4.255 0.140 1.00 0.00 N ATOM 483 CA GLY A 36 -1.011 3.880 0.958 1.00 0.00 C ATOM 484 C GLY A 36 -0.850 4.305 2.404 1.00 0.00 C ATOM 485 O GLY A 36 -1.810 4.739 3.042 1.00 0.00 O ATOM 0 H GLY A 36 0.991 4.419 0.657 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.914 4.332 0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.147 2.799 0.913 1.00 0.00 H new ATOM 489 N CYS A 37 0.366 4.178 2.925 1.00 0.00 N ATOM 490 CA CYS A 37 0.650 4.550 4.305 1.00 0.00 C ATOM 491 C CYS A 37 1.815 5.533 4.376 1.00 0.00 C ATOM 492 O CYS A 37 2.187 5.994 5.455 1.00 0.00 O ATOM 493 CB CYS A 37 0.968 3.305 5.136 1.00 0.00 C ATOM 494 SG CYS A 37 2.476 2.428 4.612 1.00 0.00 S ATOM 0 H CYS A 37 1.171 3.820 2.411 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.237 5.035 4.713 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.074 3.596 6.181 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.123 2.618 5.080 1.00 0.00 H new ATOM 0 HG CYS A 37 2.435 2.224 3.329 1.00 0.00 H new ATOM 499 N ASP A 38 2.385 5.849 3.218 1.00 0.00 N ATOM 500 CA ASP A 38 3.507 6.778 3.147 1.00 0.00 C ATOM 501 C ASP A 38 4.610 6.374 4.120 1.00 0.00 C ATOM 502 O ASP A 38 5.016 7.160 4.976 1.00 0.00 O ATOM 503 CB ASP A 38 3.038 8.202 3.452 1.00 0.00 C ATOM 504 CG ASP A 38 4.136 9.228 3.256 1.00 0.00 C ATOM 505 OD1 ASP A 38 4.982 9.028 2.359 1.00 0.00 O ATOM 506 OD2 ASP A 38 4.149 10.232 3.998 1.00 0.00 O ATOM 0 H ASP A 38 2.089 5.476 2.316 1.00 0.00 H new ATOM 0 HA ASP A 38 3.910 6.745 2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.195 8.449 2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.679 8.251 4.480 1.00 0.00 H new ATOM 511 N ASP A 39 5.090 5.142 3.984 1.00 0.00 N ATOM 512 CA ASP A 39 6.146 4.633 4.851 1.00 0.00 C ATOM 513 C ASP A 39 7.495 4.667 4.140 1.00 0.00 C ATOM 514 O ASP A 39 7.591 5.089 2.989 1.00 0.00 O ATOM 515 CB ASP A 39 5.825 3.205 5.295 1.00 0.00 C ATOM 516 CG ASP A 39 5.018 3.166 6.578 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.374 4.184 6.906 1.00 0.00 O ATOM 518 OD2 ASP A 39 5.031 2.116 7.254 1.00 0.00 O ATOM 0 H ASP A 39 4.764 4.478 3.282 1.00 0.00 H new ATOM 0 HA ASP A 39 6.203 5.275 5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.271 2.698 4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.755 2.654 5.437 1.00 0.00 H new ATOM 523 N ASN A 40 8.536 4.220 4.836 1.00 0.00 N ATOM 524 CA ASN A 40 9.881 4.200 4.272 1.00 0.00 C ATOM 525 C ASN A 40 10.491 2.805 4.368 1.00 0.00 C ATOM 526 O ASN A 40 10.611 2.243 5.457 1.00 0.00 O ATOM 527 CB ASN A 40 10.774 5.211 4.995 1.00 0.00 C ATOM 528 CG ASN A 40 10.008 6.439 5.448 1.00 0.00 C ATOM 529 OD1 ASN A 40 10.037 6.804 6.623 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.317 7.083 4.514 1.00 0.00 N ATOM 0 H ASN A 40 8.474 3.867 5.791 1.00 0.00 H new ATOM 0 HA ASN A 40 9.811 4.474 3.219 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.233 4.733 5.860 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.584 5.515 4.332 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.782 7.916 4.759 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.322 6.744 3.552 1.00 0.00 H new ATOM 537 N TYR A 41 10.875 2.253 3.223 1.00 0.00 N ATOM 538 CA TYR A 41 11.471 0.923 3.177 1.00 0.00 C ATOM 539 C TYR A 41 12.646 0.886 2.205 1.00 0.00 C ATOM 540 O TYR A 41 12.570 1.424 1.100 1.00 0.00 O ATOM 541 CB TYR A 41 10.424 -0.114 2.769 1.00 0.00 C ATOM 542 CG TYR A 41 9.376 -0.368 3.829 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.604 -1.278 4.854 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.159 0.302 3.806 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.650 -1.513 5.826 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.200 0.074 4.774 1.00 0.00 C ATOM 547 CZ TYR A 41 7.450 -0.835 5.781 1.00 0.00 C ATOM 548 OH TYR A 41 6.497 -1.066 6.746 1.00 0.00 O ATOM 0 H TYR A 41 10.784 2.706 2.314 1.00 0.00 H new ATOM 0 HA TYR A 41 11.840 0.683 4.174 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.931 0.220 1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.927 -1.052 2.535 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.543 -1.811 4.892 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.959 1.013 3.018 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.843 -2.223 6.616 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.260 0.605 4.742 1.00 0.00 H new ATOM 0 HH TYR A 41 5.711 -0.508 6.570 1.00 0.00 H new ATOM 558 N HIS A 42 13.733 0.246 2.625 1.00 0.00 N ATOM 559 CA HIS A 42 14.925 0.137 1.792 1.00 0.00 C ATOM 560 C HIS A 42 14.778 -0.995 0.779 1.00 0.00 C ATOM 561 O HIS A 42 13.814 -1.760 0.824 1.00 0.00 O ATOM 562 CB HIS A 42 16.161 -0.098 2.661 1.00 0.00 C ATOM 563 CG HIS A 42 16.493 1.058 3.554 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.157 0.915 4.754 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.251 2.382 3.415 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.308 2.101 5.315 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.767 3.009 4.522 1.00 0.00 N ATOM 0 H HIS A 42 13.813 -0.205 3.537 1.00 0.00 H new ATOM 0 HA HIS A 42 15.045 1.074 1.249 1.00 0.00 H new ATOM 0 HB2 HIS A 42 16.001 -0.986 3.273 1.00 0.00 H new ATOM 0 HB3 HIS A 42 17.015 -0.305 2.016 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.746 2.857 2.587 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.791 2.296 6.261 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.738 4.012 4.703 1.00 0.00 H new ATOM 575 N ILE A 43 15.740 -1.095 -0.133 1.00 0.00 N ATOM 576 CA ILE A 43 15.717 -2.133 -1.156 1.00 0.00 C ATOM 577 C ILE A 43 16.476 -3.373 -0.697 1.00 0.00 C ATOM 578 O ILE A 43 16.561 -4.366 -1.421 1.00 0.00 O ATOM 579 CB ILE A 43 16.325 -1.633 -2.479 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.734 -1.085 -2.244 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.434 -0.569 -3.103 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.615 -1.135 -3.472 1.00 0.00 C ATOM 0 H ILE A 43 16.544 -0.470 -0.184 1.00 0.00 H new ATOM 0 HA ILE A 43 14.671 -2.390 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 43 16.393 -2.473 -3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.661 -0.053 -1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.207 -1.654 -1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 43 15.877 -0.225 -4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.449 -0.991 -3.302 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.337 0.272 -2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.598 -0.731 -3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.719 -2.168 -3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.164 -0.542 -4.268 1.00 0.00 H new ATOM 594 N PHE A 44 17.026 -3.311 0.511 1.00 0.00 N ATOM 595 CA PHE A 44 17.778 -4.429 1.068 1.00 0.00 C ATOM 596 C PHE A 44 17.254 -4.803 2.451 1.00 0.00 C ATOM 597 O PHE A 44 17.900 -5.541 3.194 1.00 0.00 O ATOM 598 CB PHE A 44 19.266 -4.080 1.151 1.00 0.00 C ATOM 599 CG PHE A 44 19.530 -2.715 1.719 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.552 -2.512 3.089 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.756 -1.634 0.882 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.795 -1.257 3.615 1.00 0.00 C ATOM 603 CE2 PHE A 44 20.000 -0.377 1.402 1.00 0.00 C ATOM 604 CZ PHE A 44 20.018 -0.188 2.770 1.00 0.00 C ATOM 0 H PHE A 44 16.965 -2.498 1.123 1.00 0.00 H new ATOM 0 HA PHE A 44 17.649 -5.286 0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.772 -4.825 1.765 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.701 -4.140 0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.377 -3.344 3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.741 -1.775 -0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.810 -1.113 4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.177 0.457 0.739 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.206 0.794 3.178 1.00 0.00 H new ATOM 614 N CYS A 45 16.077 -4.286 2.791 1.00 0.00 N ATOM 615 CA CYS A 45 15.465 -4.563 4.084 1.00 0.00 C ATOM 616 C CYS A 45 14.220 -5.431 3.922 1.00 0.00 C ATOM 617 O CYS A 45 13.816 -6.136 4.848 1.00 0.00 O ATOM 618 CB CYS A 45 15.099 -3.255 4.789 1.00 0.00 C ATOM 619 SG CYS A 45 16.500 -2.445 5.626 1.00 0.00 S ATOM 0 H CYS A 45 15.529 -3.673 2.188 1.00 0.00 H new ATOM 0 HA CYS A 45 16.189 -5.106 4.692 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.679 -2.565 4.057 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.318 -3.456 5.522 1.00 0.00 H new ATOM 0 HG CYS A 45 16.548 -1.193 5.279 1.00 0.00 H new ATOM 624 N LEU A 46 13.617 -5.376 2.740 1.00 0.00 N ATOM 625 CA LEU A 46 12.419 -6.157 2.455 1.00 0.00 C ATOM 626 C LEU A 46 12.750 -7.641 2.342 1.00 0.00 C ATOM 627 O LEU A 46 13.857 -8.068 2.672 1.00 0.00 O ATOM 628 CB LEU A 46 11.764 -5.669 1.161 1.00 0.00 C ATOM 629 CG LEU A 46 11.594 -4.156 1.024 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.452 -3.765 -0.439 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.391 -3.679 1.825 1.00 0.00 C ATOM 0 H LEU A 46 13.938 -4.798 1.963 1.00 0.00 H new ATOM 0 HA LEU A 46 11.722 -6.021 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.358 -6.025 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.782 -6.134 1.077 1.00 0.00 H new ATOM 0 HG LEU A 46 12.485 -3.672 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.332 -2.684 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.344 -4.071 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.578 -4.259 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.286 -2.600 1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.491 -4.171 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.534 -3.925 2.877 1.00 0.00 H new ATOM 643 N LEU A 47 11.785 -8.424 1.872 1.00 0.00 N ATOM 644 CA LEU A 47 11.975 -9.861 1.712 1.00 0.00 C ATOM 645 C LEU A 47 10.820 -10.480 0.931 1.00 0.00 C ATOM 646 O LEU A 47 9.713 -10.652 1.443 1.00 0.00 O ATOM 647 CB LEU A 47 12.098 -10.534 3.081 1.00 0.00 C ATOM 648 CG LEU A 47 13.138 -11.649 3.189 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.705 -11.715 4.599 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.529 -12.987 2.794 1.00 0.00 C ATOM 0 H LEU A 47 10.863 -8.087 1.595 1.00 0.00 H new ATOM 0 HA LEU A 47 12.896 -10.021 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.337 -9.769 3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.125 -10.945 3.351 1.00 0.00 H new ATOM 0 HG LEU A 47 13.954 -11.427 2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.444 -12.514 4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.179 -10.765 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.900 -11.913 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.284 -13.769 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.694 -13.217 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.172 -12.935 1.765 1.00 0.00 H new ATOM 662 N PRO A 48 11.082 -10.824 -0.339 1.00 0.00 N ATOM 663 CA PRO A 48 12.395 -10.624 -0.959 1.00 0.00 C ATOM 664 C PRO A 48 12.707 -9.149 -1.191 1.00 0.00 C ATOM 665 O PRO A 48 11.818 -8.333 -1.438 1.00 0.00 O ATOM 666 CB PRO A 48 12.273 -11.362 -2.294 1.00 0.00 C ATOM 667 CG PRO A 48 10.814 -11.360 -2.596 1.00 0.00 C ATOM 668 CD PRO A 48 10.116 -11.436 -1.267 1.00 0.00 C ATOM 0 HA PRO A 48 13.205 -10.990 -0.327 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.840 -10.859 -3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.661 -12.378 -2.222 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.528 -10.457 -3.136 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.545 -12.207 -3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.170 -10.894 -1.278 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.890 -12.466 -0.990 1.00 0.00 H new ATOM 676 N PRO A 49 13.999 -8.797 -1.113 1.00 0.00 N ATOM 677 CA PRO A 49 14.457 -7.420 -1.313 1.00 0.00 C ATOM 678 C PRO A 49 14.321 -6.968 -2.763 1.00 0.00 C ATOM 679 O PRO A 49 13.892 -7.736 -3.625 1.00 0.00 O ATOM 680 CB PRO A 49 15.932 -7.474 -0.906 1.00 0.00 C ATOM 681 CG PRO A 49 16.332 -8.893 -1.121 1.00 0.00 C ATOM 682 CD PRO A 49 15.111 -9.718 -0.823 1.00 0.00 C ATOM 0 HA PRO A 49 13.867 -6.707 -0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.535 -6.797 -1.511 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.067 -7.178 0.134 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.670 -9.052 -2.145 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.159 -9.169 -0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 49 15.067 -10.611 -1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.095 -10.053 0.214 1.00 0.00 H new ATOM 690 N LEU A 50 14.690 -5.720 -3.026 1.00 0.00 N ATOM 691 CA LEU A 50 14.610 -5.166 -4.374 1.00 0.00 C ATOM 692 C LEU A 50 15.989 -4.744 -4.872 1.00 0.00 C ATOM 693 O LEU A 50 16.909 -4.497 -4.092 1.00 0.00 O ATOM 694 CB LEU A 50 13.658 -3.969 -4.398 1.00 0.00 C ATOM 695 CG LEU A 50 12.165 -4.297 -4.361 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.340 -3.023 -4.273 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.767 -5.109 -5.585 1.00 0.00 C ATOM 0 H LEU A 50 15.048 -5.072 -2.324 1.00 0.00 H new ATOM 0 HA LEU A 50 14.226 -5.941 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.890 -3.329 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.860 -3.388 -5.298 1.00 0.00 H new ATOM 0 HG LEU A 50 11.966 -4.896 -3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.280 -3.277 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.605 -2.480 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.543 -2.398 -5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.701 -5.333 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.981 -4.536 -6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.333 -6.040 -5.604 1.00 0.00 H new ATOM 709 N PRO A 51 16.136 -4.657 -6.202 1.00 0.00 N ATOM 710 CA PRO A 51 17.398 -4.263 -6.835 1.00 0.00 C ATOM 711 C PRO A 51 17.728 -2.792 -6.604 1.00 0.00 C ATOM 712 O PRO A 51 18.863 -2.444 -6.282 1.00 0.00 O ATOM 713 CB PRO A 51 17.148 -4.528 -8.321 1.00 0.00 C ATOM 714 CG PRO A 51 15.670 -4.432 -8.480 1.00 0.00 C ATOM 715 CD PRO A 51 15.082 -4.937 -7.192 1.00 0.00 C ATOM 0 HA PRO A 51 18.247 -4.812 -6.427 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.662 -3.797 -8.945 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.515 -5.512 -8.615 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.364 -3.404 -8.672 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.329 -5.029 -9.326 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.153 -4.423 -6.946 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.853 -6.001 -7.245 1.00 0.00 H new ATOM 723 N GLU A 52 16.726 -1.933 -6.770 1.00 0.00 N ATOM 724 CA GLU A 52 16.911 -0.499 -6.579 1.00 0.00 C ATOM 725 C GLU A 52 15.569 0.226 -6.572 1.00 0.00 C ATOM 726 O GLU A 52 14.520 -0.385 -6.776 1.00 0.00 O ATOM 727 CB GLU A 52 17.807 0.073 -7.681 1.00 0.00 C ATOM 728 CG GLU A 52 17.331 -0.259 -9.085 1.00 0.00 C ATOM 729 CD GLU A 52 18.214 0.347 -10.158 1.00 0.00 C ATOM 730 OE1 GLU A 52 18.697 1.481 -9.958 1.00 0.00 O ATOM 731 OE2 GLU A 52 18.423 -0.312 -11.198 1.00 0.00 O ATOM 0 H GLU A 52 15.780 -2.205 -7.036 1.00 0.00 H new ATOM 0 HA GLU A 52 17.392 -0.346 -5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.858 1.156 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.819 -0.309 -7.550 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.305 -1.342 -9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.310 0.101 -9.213 1.00 0.00 H new ATOM 738 N ILE A 53 15.611 1.533 -6.335 1.00 0.00 N ATOM 739 CA ILE A 53 14.399 2.342 -6.301 1.00 0.00 C ATOM 740 C ILE A 53 13.556 2.122 -7.553 1.00 0.00 C ATOM 741 O ILE A 53 14.051 2.166 -8.680 1.00 0.00 O ATOM 742 CB ILE A 53 14.726 3.841 -6.173 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.166 4.169 -4.745 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.521 4.682 -6.568 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.055 4.045 -3.726 1.00 0.00 C ATOM 0 H ILE A 53 16.471 2.054 -6.164 1.00 0.00 H new ATOM 0 HA ILE A 53 13.833 2.026 -5.425 1.00 0.00 H new ATOM 0 HB ILE A 53 15.547 4.078 -6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.982 3.504 -4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.560 5.185 -4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.768 5.739 -6.472 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.249 4.465 -7.601 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.682 4.445 -5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.440 4.292 -2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.247 4.730 -3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.676 3.023 -3.723 1.00 0.00 H new ATOM 757 N PRO A 54 12.252 1.882 -7.354 1.00 0.00 N ATOM 758 CA PRO A 54 11.312 1.653 -8.455 1.00 0.00 C ATOM 759 C PRO A 54 11.055 2.916 -9.270 1.00 0.00 C ATOM 760 O PRO A 54 11.495 4.004 -8.901 1.00 0.00 O ATOM 761 CB PRO A 54 10.032 1.207 -7.743 1.00 0.00 C ATOM 762 CG PRO A 54 10.130 1.803 -6.381 1.00 0.00 C ATOM 763 CD PRO A 54 11.594 1.816 -6.038 1.00 0.00 C ATOM 0 HA PRO A 54 11.693 0.925 -9.171 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.144 1.560 -8.267 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.963 0.120 -7.696 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.717 2.812 -6.366 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.565 1.216 -5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.853 2.672 -5.416 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.886 0.922 -5.487 1.00 0.00 H new ATOM 771 N ARG A 55 10.340 2.763 -10.380 1.00 0.00 N ATOM 772 CA ARG A 55 10.026 3.892 -11.248 1.00 0.00 C ATOM 773 C ARG A 55 8.641 4.451 -10.932 1.00 0.00 C ATOM 774 O ARG A 55 8.513 5.522 -10.342 1.00 0.00 O ATOM 775 CB ARG A 55 10.094 3.469 -12.716 1.00 0.00 C ATOM 776 CG ARG A 55 11.466 2.973 -13.144 1.00 0.00 C ATOM 777 CD ARG A 55 11.533 2.746 -14.646 1.00 0.00 C ATOM 778 NE ARG A 55 12.773 3.259 -15.222 1.00 0.00 N ATOM 779 CZ ARG A 55 13.937 2.623 -15.145 1.00 0.00 C ATOM 780 NH1 ARG A 55 14.019 1.457 -14.520 1.00 0.00 N ATOM 781 NH2 ARG A 55 15.021 3.154 -15.695 1.00 0.00 N ATOM 0 H ARG A 55 9.967 1.869 -10.699 1.00 0.00 H new ATOM 0 HA ARG A 55 10.765 4.673 -11.068 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.361 2.682 -12.893 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.811 4.315 -13.343 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.224 3.699 -12.851 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.697 2.043 -12.624 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.450 1.680 -14.856 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.683 3.232 -15.124 1.00 0.00 H new ATOM 0 HE ARG A 55 12.744 4.154 -15.710 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.187 1.046 -14.097 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.914 0.971 -14.462 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.961 4.051 -16.177 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.914 2.666 -15.636 1.00 0.00 H new ATOM 795 N GLY A 56 7.607 3.717 -11.332 1.00 0.00 N ATOM 796 CA GLY A 56 6.246 4.155 -11.084 1.00 0.00 C ATOM 797 C GLY A 56 5.896 4.154 -9.609 1.00 0.00 C ATOM 798 O GLY A 56 6.738 4.463 -8.765 1.00 0.00 O ATOM 0 H GLY A 56 7.688 2.827 -11.823 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.112 5.160 -11.485 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.555 3.503 -11.619 1.00 0.00 H new ATOM 802 N ILE A 57 4.652 3.808 -9.298 1.00 0.00 N ATOM 803 CA ILE A 57 4.193 3.769 -7.915 1.00 0.00 C ATOM 804 C ILE A 57 4.575 2.453 -7.246 1.00 0.00 C ATOM 805 O ILE A 57 4.345 1.376 -7.795 1.00 0.00 O ATOM 806 CB ILE A 57 2.667 3.955 -7.823 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.259 5.308 -8.408 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.205 3.836 -6.378 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.762 5.485 -8.537 1.00 0.00 C ATOM 0 H ILE A 57 3.943 3.551 -9.985 1.00 0.00 H new ATOM 0 HA ILE A 57 4.683 4.593 -7.396 1.00 0.00 H new ATOM 0 HB ILE A 57 2.185 3.169 -8.405 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.657 6.102 -7.777 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.716 5.422 -9.391 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.124 3.970 -6.329 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.466 2.851 -5.992 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.693 4.602 -5.776 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.547 6.467 -8.959 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.359 4.713 -9.192 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.300 5.403 -7.553 1.00 0.00 H new ATOM 821 N TRP A 58 5.159 2.549 -6.057 1.00 0.00 N ATOM 822 CA TRP A 58 5.571 1.365 -5.311 1.00 0.00 C ATOM 823 C TRP A 58 4.818 1.265 -3.989 1.00 0.00 C ATOM 824 O TRP A 58 4.595 2.269 -3.314 1.00 0.00 O ATOM 825 CB TRP A 58 7.078 1.400 -5.052 1.00 0.00 C ATOM 826 CG TRP A 58 7.566 0.250 -4.225 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.075 -0.932 -4.683 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.589 0.171 -2.795 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.412 -1.741 -3.625 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.125 -1.087 -2.456 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.210 1.040 -1.769 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.289 -1.494 -1.135 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.374 0.635 -0.458 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.910 -0.622 -0.150 1.00 0.00 C ATOM 0 H TRP A 58 5.358 3.433 -5.589 1.00 0.00 H new ATOM 0 HA TRP A 58 5.332 0.487 -5.911 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.603 1.400 -6.007 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.331 2.333 -4.549 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.195 -1.192 -5.724 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.811 -2.677 -3.698 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.796 2.011 -1.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.701 -2.463 -0.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.084 1.299 0.343 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.027 -0.909 0.885 1.00 0.00 H new ATOM 845 N ARG A 59 4.430 0.047 -3.626 1.00 0.00 N ATOM 846 CA ARG A 59 3.700 -0.184 -2.384 1.00 0.00 C ATOM 847 C ARG A 59 4.489 -1.098 -1.452 1.00 0.00 C ATOM 848 O ARG A 59 5.388 -1.820 -1.886 1.00 0.00 O ATOM 849 CB ARG A 59 2.330 -0.797 -2.679 1.00 0.00 C ATOM 850 CG ARG A 59 1.176 0.176 -2.503 1.00 0.00 C ATOM 851 CD ARG A 59 -0.076 -0.529 -2.006 1.00 0.00 C ATOM 852 NE ARG A 59 -1.188 -0.394 -2.944 1.00 0.00 N ATOM 853 CZ ARG A 59 -1.295 -1.100 -4.063 1.00 0.00 C ATOM 854 NH1 ARG A 59 -0.362 -1.986 -4.384 1.00 0.00 N ATOM 855 NH2 ARG A 59 -2.337 -0.921 -4.865 1.00 0.00 N ATOM 0 H ARG A 59 4.608 -0.795 -4.173 1.00 0.00 H new ATOM 0 HA ARG A 59 3.561 0.777 -1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.323 -1.174 -3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.176 -1.653 -2.022 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.461 0.956 -1.796 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.965 0.668 -3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.141 -1.586 -1.850 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.365 -0.117 -1.039 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.922 0.280 -2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.441 -2.126 -3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.447 -2.527 -5.245 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.057 -0.240 -4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.418 -1.464 -5.725 1.00 0.00 H new ATOM 869 N CYS A 60 4.148 -1.063 -0.168 1.00 0.00 N ATOM 870 CA CYS A 60 4.824 -1.887 0.826 1.00 0.00 C ATOM 871 C CYS A 60 4.045 -3.174 1.087 1.00 0.00 C ATOM 872 O CYS A 60 2.846 -3.267 0.823 1.00 0.00 O ATOM 873 CB CYS A 60 4.996 -1.109 2.132 1.00 0.00 C ATOM 874 SG CYS A 60 3.480 -0.997 3.136 1.00 0.00 S ATOM 0 H CYS A 60 3.407 -0.472 0.208 1.00 0.00 H new ATOM 0 HA CYS A 60 5.807 -2.151 0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.778 -1.584 2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.340 -0.101 1.899 1.00 0.00 H new ATOM 0 HG CYS A 60 3.328 0.223 3.557 1.00 0.00 H new ATOM 879 N PRO A 61 4.741 -4.189 1.618 1.00 0.00 N ATOM 880 CA PRO A 61 4.136 -5.488 1.927 1.00 0.00 C ATOM 881 C PRO A 61 3.166 -5.411 3.101 1.00 0.00 C ATOM 882 O PRO A 61 2.264 -6.239 3.230 1.00 0.00 O ATOM 883 CB PRO A 61 5.339 -6.364 2.285 1.00 0.00 C ATOM 884 CG PRO A 61 6.379 -5.406 2.756 1.00 0.00 C ATOM 885 CD PRO A 61 6.174 -4.148 1.959 1.00 0.00 C ATOM 0 HA PRO A 61 3.545 -5.870 1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.086 -7.086 3.061 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.686 -6.932 1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.277 -5.213 3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.380 -5.808 2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.424 -3.260 2.539 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.799 -4.132 1.066 1.00 0.00 H new ATOM 893 N LYS A 62 3.355 -4.410 3.954 1.00 0.00 N ATOM 894 CA LYS A 62 2.496 -4.223 5.117 1.00 0.00 C ATOM 895 C LYS A 62 1.105 -3.759 4.697 1.00 0.00 C ATOM 896 O LYS A 62 0.142 -3.883 5.455 1.00 0.00 O ATOM 897 CB LYS A 62 3.116 -3.204 6.077 1.00 0.00 C ATOM 898 CG LYS A 62 3.711 -3.830 7.326 1.00 0.00 C ATOM 899 CD LYS A 62 2.695 -3.897 8.454 1.00 0.00 C ATOM 900 CE LYS A 62 2.640 -2.592 9.233 1.00 0.00 C ATOM 901 NZ LYS A 62 3.534 -2.617 10.423 1.00 0.00 N ATOM 0 H LYS A 62 4.096 -3.715 3.862 1.00 0.00 H new ATOM 0 HA LYS A 62 2.402 -5.182 5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.894 -2.650 5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.353 -2.483 6.370 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.068 -4.834 7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.576 -3.250 7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.710 -4.119 8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.952 -4.714 9.128 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.927 -1.767 8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.615 -2.403 9.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.467 -1.709 10.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.244 -3.388 11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.516 -2.772 10.116 1.00 0.00 H new ATOM 915 N CYS A 63 1.006 -3.225 3.484 1.00 0.00 N ATOM 916 CA CYS A 63 -0.267 -2.743 2.962 1.00 0.00 C ATOM 917 C CYS A 63 -0.860 -3.740 1.970 1.00 0.00 C ATOM 918 O CYS A 63 -2.063 -4.002 1.983 1.00 0.00 O ATOM 919 CB CYS A 63 -0.083 -1.383 2.286 1.00 0.00 C ATOM 920 SG CYS A 63 -0.004 0.019 3.447 1.00 0.00 S ATOM 0 H CYS A 63 1.793 -3.115 2.844 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.957 -2.635 3.799 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.833 -1.404 1.695 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.907 -1.220 1.591 1.00 0.00 H new ATOM 0 HG CYS A 63 1.232 0.394 3.591 1.00 0.00 H new ATOM 925 N ILE A 64 -0.008 -4.291 1.113 1.00 0.00 N ATOM 926 CA ILE A 64 -0.447 -5.259 0.116 1.00 0.00 C ATOM 927 C ILE A 64 -0.925 -6.548 0.775 1.00 0.00 C ATOM 928 O ILE A 64 -1.973 -7.089 0.419 1.00 0.00 O ATOM 929 CB ILE A 64 0.679 -5.592 -0.880 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.166 -4.320 -1.578 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.199 -6.612 -1.902 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.535 -4.461 -2.206 1.00 0.00 C ATOM 0 H ILE A 64 0.990 -4.084 1.089 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.275 -4.801 -0.425 1.00 0.00 H new ATOM 0 HB ILE A 64 1.514 -6.024 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.448 -4.041 -2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.189 -3.505 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.007 -6.837 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.103 -7.526 -1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.651 -6.205 -2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.815 -3.521 -2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.265 -4.709 -1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.513 -5.254 -2.953 1.00 0.00 H new ATOM 944 N LEU A 65 -0.152 -7.036 1.739 1.00 0.00 N ATOM 945 CA LEU A 65 -0.497 -8.261 2.450 1.00 0.00 C ATOM 946 C LEU A 65 -1.770 -8.076 3.270 1.00 0.00 C ATOM 947 O LEU A 65 -2.399 -9.047 3.686 1.00 0.00 O ATOM 948 CB LEU A 65 0.654 -8.685 3.364 1.00 0.00 C ATOM 949 CG LEU A 65 1.961 -9.064 2.666 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.082 -9.223 3.681 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.783 -10.342 1.860 1.00 0.00 C ATOM 0 H LEU A 65 0.718 -6.601 2.046 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.674 -9.042 1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.859 -7.870 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.324 -9.536 3.960 1.00 0.00 H new ATOM 0 HG LEU A 65 2.231 -8.260 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.004 -9.493 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.226 -8.283 4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.821 -10.007 4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.723 -10.597 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.489 -11.154 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.010 -10.192 1.106 1.00 0.00 H new ATOM 963 N ALA A 66 -2.144 -6.820 3.495 1.00 0.00 N ATOM 964 CA ALA A 66 -3.344 -6.507 4.261 1.00 0.00 C ATOM 965 C ALA A 66 -4.567 -6.421 3.354 1.00 0.00 C ATOM 966 O ALA A 66 -5.622 -6.971 3.667 1.00 0.00 O ATOM 967 CB ALA A 66 -3.158 -5.204 5.024 1.00 0.00 C ATOM 0 H ALA A 66 -1.633 -6.004 3.158 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.510 -7.313 4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.062 -4.983 5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.315 -5.300 5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.964 -4.395 4.320 1.00 0.00 H new ATOM 973 N GLU A 67 -4.418 -5.728 2.230 1.00 0.00 N ATOM 974 CA GLU A 67 -5.512 -5.570 1.279 1.00 0.00 C ATOM 975 C GLU A 67 -5.760 -6.867 0.515 1.00 0.00 C ATOM 976 O GLU A 67 -6.894 -7.174 0.144 1.00 0.00 O ATOM 977 CB GLU A 67 -5.204 -4.437 0.297 1.00 0.00 C ATOM 978 CG GLU A 67 -4.114 -4.780 -0.704 1.00 0.00 C ATOM 979 CD GLU A 67 -3.640 -3.570 -1.487 1.00 0.00 C ATOM 980 OE1 GLU A 67 -4.231 -3.282 -2.548 1.00 0.00 O ATOM 981 OE2 GLU A 67 -2.678 -2.913 -1.038 1.00 0.00 O ATOM 0 H GLU A 67 -3.551 -5.267 1.955 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.413 -5.321 1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.114 -4.179 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.905 -3.552 0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.268 -5.222 -0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.487 -5.534 -1.397 1.00 0.00 H new ATOM 988 N CYS A 68 -4.693 -7.624 0.284 1.00 0.00 N ATOM 989 CA CYS A 68 -4.794 -8.888 -0.437 1.00 0.00 C ATOM 990 C CYS A 68 -5.859 -9.785 0.184 1.00 0.00 C ATOM 991 O CYS A 68 -5.978 -9.870 1.407 1.00 0.00 O ATOM 992 CB CYS A 68 -3.444 -9.606 -0.441 1.00 0.00 C ATOM 993 SG CYS A 68 -3.457 -11.199 -1.295 1.00 0.00 S ATOM 0 H CYS A 68 -3.748 -7.385 0.585 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.084 -8.669 -1.465 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.703 -8.960 -0.911 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.124 -9.761 0.589 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.270 -11.727 -1.246 1.00 0.00 H new