USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 579 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 27 ASN : amide:sc= -0.333 K(o=-0.22,f=-4.2!) USER MOD Set 1.2: A 29 THR OG1 : rot 54:sc= 0.112 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 168:sc=-0.00325 (180deg=-0.346) USER MOD Single : A 20 MET CE :methyl 172:sc= -0.449 (180deg=-0.803) USER MOD Single : A 23 THR OG1 : rot 133:sc= 0.0648 USER MOD Single : A 25 SER OG : rot 84:sc= 1.23 USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 2.49 (180deg=2.36) USER MOD Single : A 33 THR OG1 : rot 95:sc= 1.3 USER MOD Single : A 37 THR OG1 : rot -90:sc= 0.578 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 1.24 K(o=1.2,f=-0.35) USER MOD Single : A 43 SER OG : rot -91:sc= 1.23 USER MOD Single : A 46 ASN : amide:sc=-0.00249 X(o=-0.0025,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.186 K(o=-0.19,f=-0.69) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.295 K(o=0.3,f=-6.6!) USER MOD Single : A 58 SER OG : rot -39:sc= 1.25 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 12:sc= 0.571 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -30:sc= 0.168 USER MOD Single : A 81 GLN : amide:sc= 0.23 K(o=0.23,f=-0.35) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 2:sc= 0.205 USER MOD ----------------------------------------------------------------- ATOM 233 N LYS A 16 -0.213 14.368 0.535 1.00 0.00 N ATOM 234 CA LYS A 16 0.646 13.830 -0.494 1.00 0.00 C ATOM 235 C LYS A 16 0.033 12.587 -1.137 1.00 0.00 C ATOM 236 O LYS A 16 -0.479 11.719 -0.439 1.00 0.00 O ATOM 237 CB LYS A 16 2.049 13.534 0.060 1.00 0.00 C ATOM 238 CG LYS A 16 3.102 13.281 -1.016 1.00 0.00 C ATOM 239 CD LYS A 16 3.259 14.506 -1.915 1.00 0.00 C ATOM 240 CE LYS A 16 4.331 14.310 -2.971 1.00 0.00 C ATOM 241 NZ LYS A 16 4.466 15.501 -3.845 1.00 0.00 N ATOM 0 HA LYS A 16 0.745 14.587 -1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.369 14.374 0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.994 12.662 0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.057 13.042 -0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.816 12.417 -1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.308 14.722 -2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.508 15.373 -1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.285 14.104 -2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.088 13.439 -3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.208 15.329 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.562 15.682 -4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.723 16.327 -3.268 1.00 0.00 H new ATOM 255 N THR A 17 0.071 12.522 -2.439 1.00 0.00 N ATOM 256 CA THR A 17 -0.363 11.354 -3.171 1.00 0.00 C ATOM 257 C THR A 17 0.772 10.308 -3.090 1.00 0.00 C ATOM 258 O THR A 17 1.912 10.611 -3.449 1.00 0.00 O ATOM 259 CB THR A 17 -0.625 11.755 -4.638 1.00 0.00 C ATOM 260 OG1 THR A 17 -1.456 12.941 -4.663 1.00 0.00 O ATOM 261 CG2 THR A 17 -1.340 10.651 -5.394 1.00 0.00 C ATOM 0 H THR A 17 0.406 13.282 -3.031 1.00 0.00 H new ATOM 0 HA THR A 17 -1.281 10.939 -2.755 1.00 0.00 H new ATOM 0 HB THR A 17 0.337 11.940 -5.116 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.625 13.202 -5.592 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.509 10.966 -6.424 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.728 9.749 -5.386 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.297 10.444 -4.916 1.00 0.00 H new ATOM 269 N LEU A 18 0.487 9.114 -2.591 1.00 0.00 N ATOM 270 CA LEU A 18 1.555 8.135 -2.376 1.00 0.00 C ATOM 271 C LEU A 18 1.100 6.771 -2.939 1.00 0.00 C ATOM 272 O LEU A 18 0.257 6.137 -2.386 1.00 0.00 O ATOM 273 CB LEU A 18 1.868 8.106 -0.816 1.00 0.00 C ATOM 274 CG LEU A 18 3.198 7.557 -0.270 1.00 0.00 C ATOM 275 CD1 LEU A 18 4.309 7.628 -1.246 1.00 0.00 C ATOM 276 CD2 LEU A 18 3.592 8.369 0.941 1.00 0.00 C ATOM 0 H LEU A 18 -0.448 8.800 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 18 2.476 8.395 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.778 9.131 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.071 7.531 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 18 3.034 6.506 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.216 7.225 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.054 7.045 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.477 8.667 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.534 7.993 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.711 9.414 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.816 8.287 1.702 1.00 0.00 H new ATOM 288 N MET A 19 1.592 6.378 -4.098 1.00 0.00 N ATOM 289 CA MET A 19 1.204 5.073 -4.651 1.00 0.00 C ATOM 290 C MET A 19 2.054 3.974 -4.078 1.00 0.00 C ATOM 291 O MET A 19 3.278 3.943 -4.281 1.00 0.00 O ATOM 292 CB MET A 19 1.237 5.002 -6.201 1.00 0.00 C ATOM 293 CG MET A 19 2.577 5.318 -6.857 1.00 0.00 C ATOM 294 SD MET A 19 2.691 4.695 -8.552 1.00 0.00 S ATOM 295 CE MET A 19 1.219 5.394 -9.292 1.00 0.00 C ATOM 0 H MET A 19 2.243 6.917 -4.669 1.00 0.00 H new ATOM 0 HA MET A 19 0.163 4.937 -4.356 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.933 4.000 -6.505 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.491 5.694 -6.592 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.729 6.397 -6.860 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.380 4.885 -6.261 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.265 5.276 -10.375 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.339 4.879 -8.908 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.156 6.454 -9.045 1.00 0.00 H new ATOM 305 N MET A 20 1.424 3.061 -3.364 1.00 0.00 N ATOM 306 CA MET A 20 2.154 1.987 -2.738 1.00 0.00 C ATOM 307 C MET A 20 2.317 0.854 -3.687 1.00 0.00 C ATOM 308 O MET A 20 1.379 0.072 -3.900 1.00 0.00 O ATOM 309 CB MET A 20 1.484 1.539 -1.416 1.00 0.00 C ATOM 310 CG MET A 20 1.427 2.672 -0.403 1.00 0.00 C ATOM 311 SD MET A 20 0.707 2.304 1.175 1.00 0.00 S ATOM 312 CE MET A 20 1.948 1.284 1.873 1.00 0.00 C ATOM 0 H MET A 20 0.416 3.045 -3.206 1.00 0.00 H new ATOM 0 HA MET A 20 3.147 2.354 -2.476 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.474 1.184 -1.622 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.037 0.700 -0.993 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.443 3.029 -0.237 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.868 3.496 -0.847 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.711 1.086 2.918 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.995 0.342 1.327 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.912 1.789 1.809 1.00 0.00 H new ATOM 322 N PHE A 21 3.520 0.817 -4.290 1.00 0.00 N ATOM 323 CA PHE A 21 3.921 -0.184 -5.258 1.00 0.00 C ATOM 324 C PHE A 21 4.513 -1.284 -4.450 1.00 0.00 C ATOM 325 O PHE A 21 5.618 -1.152 -3.866 1.00 0.00 O ATOM 326 CB PHE A 21 4.915 0.466 -6.252 1.00 0.00 C ATOM 327 CG PHE A 21 5.618 -0.399 -7.285 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.690 -1.201 -6.937 1.00 0.00 C ATOM 329 CD2 PHE A 21 5.242 -0.350 -8.626 1.00 0.00 C ATOM 330 CE1 PHE A 21 7.364 -1.937 -7.884 1.00 0.00 C ATOM 331 CE2 PHE A 21 5.911 -1.091 -9.574 1.00 0.00 C ATOM 332 CZ PHE A 21 6.973 -1.883 -9.204 1.00 0.00 C ATOM 0 H PHE A 21 4.248 1.506 -4.103 1.00 0.00 H new ATOM 0 HA PHE A 21 3.107 -0.580 -5.865 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.375 1.244 -6.791 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.686 0.963 -5.664 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.003 -1.250 -5.905 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.415 0.277 -8.925 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.199 -2.557 -7.593 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.602 -1.050 -10.608 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.500 -2.462 -9.948 1.00 0.00 H new ATOM 342 N VAL A 22 3.778 -2.326 -4.348 1.00 0.00 N ATOM 343 CA VAL A 22 4.060 -3.305 -3.387 1.00 0.00 C ATOM 344 C VAL A 22 4.185 -4.709 -4.011 1.00 0.00 C ATOM 345 O VAL A 22 3.325 -5.165 -4.770 1.00 0.00 O ATOM 346 CB VAL A 22 2.952 -3.195 -2.290 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.564 -3.616 -2.782 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.333 -3.877 -1.034 1.00 0.00 C ATOM 0 H VAL A 22 2.964 -2.519 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 22 5.035 -3.139 -2.929 1.00 0.00 H new ATOM 0 HB VAL A 22 2.873 -2.132 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.844 -3.515 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.264 -2.979 -3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.595 -4.654 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.530 -3.771 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.506 -4.935 -1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.244 -3.428 -0.638 1.00 0.00 H new ATOM 358 N THR A 23 5.295 -5.338 -3.739 1.00 0.00 N ATOM 359 CA THR A 23 5.575 -6.646 -4.219 1.00 0.00 C ATOM 360 C THR A 23 5.139 -7.745 -3.188 1.00 0.00 C ATOM 361 O THR A 23 5.324 -7.541 -1.942 1.00 0.00 O ATOM 362 CB THR A 23 7.070 -6.748 -4.575 1.00 0.00 C ATOM 363 OG1 THR A 23 7.338 -5.916 -5.706 1.00 0.00 O ATOM 364 CG2 THR A 23 7.539 -8.178 -4.819 1.00 0.00 C ATOM 0 H THR A 23 6.039 -4.941 -3.166 1.00 0.00 H new ATOM 0 HA THR A 23 4.990 -6.827 -5.121 1.00 0.00 H new ATOM 0 HB THR A 23 7.639 -6.401 -3.713 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.139 -5.378 -5.534 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.601 -8.176 -5.065 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.376 -8.773 -3.920 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.976 -8.609 -5.647 1.00 0.00 H new ATOM 372 N VAL A 24 4.600 -8.902 -3.693 1.00 0.00 N ATOM 373 CA VAL A 24 4.098 -9.975 -2.920 1.00 0.00 C ATOM 374 C VAL A 24 4.778 -11.238 -3.553 1.00 0.00 C ATOM 375 O VAL A 24 4.727 -11.362 -4.751 1.00 0.00 O ATOM 376 CB VAL A 24 2.518 -10.025 -3.084 1.00 0.00 C ATOM 377 CG1 VAL A 24 2.061 -10.161 -4.522 1.00 0.00 C ATOM 378 CG2 VAL A 24 1.888 -11.090 -2.237 1.00 0.00 C ATOM 0 H VAL A 24 4.523 -9.071 -4.696 1.00 0.00 H new ATOM 0 HA VAL A 24 4.306 -9.896 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 24 2.174 -9.054 -2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.972 -10.189 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.421 -9.310 -5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.461 -11.082 -4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.808 -11.082 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.286 -12.064 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.111 -10.899 -1.187 1.00 0.00 H new ATOM 388 N SER A 25 5.436 -12.141 -2.821 1.00 0.00 N ATOM 389 CA SER A 25 6.182 -13.150 -3.543 1.00 0.00 C ATOM 390 C SER A 25 6.239 -14.467 -2.798 1.00 0.00 C ATOM 391 O SER A 25 7.109 -15.315 -3.072 1.00 0.00 O ATOM 392 CB SER A 25 7.591 -12.649 -3.841 1.00 0.00 C ATOM 393 OG SER A 25 8.030 -13.072 -5.117 1.00 0.00 O ATOM 0 H SER A 25 5.465 -12.190 -1.803 1.00 0.00 H new ATOM 0 HA SER A 25 5.656 -13.333 -4.480 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.610 -11.560 -3.791 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.278 -13.015 -3.078 1.00 0.00 H new ATOM 0 HG SER A 25 7.699 -12.451 -5.799 1.00 0.00 H new ATOM 399 N GLY A 26 5.311 -14.670 -1.878 1.00 0.00 N ATOM 400 CA GLY A 26 5.201 -15.959 -1.255 1.00 0.00 C ATOM 401 C GLY A 26 4.708 -16.911 -2.309 1.00 0.00 C ATOM 402 O GLY A 26 5.073 -18.091 -2.338 1.00 0.00 O ATOM 0 H GLY A 26 4.641 -13.971 -1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.165 -16.282 -0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.510 -15.923 -0.413 1.00 0.00 H new ATOM 406 N ASN A 27 3.911 -16.362 -3.207 1.00 0.00 N ATOM 407 CA ASN A 27 3.427 -17.025 -4.347 1.00 0.00 C ATOM 408 C ASN A 27 3.975 -16.232 -5.506 1.00 0.00 C ATOM 409 O ASN A 27 3.515 -15.120 -5.749 1.00 0.00 O ATOM 410 CB ASN A 27 1.898 -17.059 -4.337 1.00 0.00 C ATOM 411 CG ASN A 27 1.286 -17.632 -5.595 1.00 0.00 C ATOM 412 OD1 ASN A 27 0.968 -16.895 -6.527 1.00 0.00 O ATOM 413 ND2 ASN A 27 1.079 -18.916 -5.623 1.00 0.00 N ATOM 0 H ASN A 27 3.584 -15.399 -3.135 1.00 0.00 H new ATOM 0 HA ASN A 27 3.739 -18.068 -4.400 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.564 -17.647 -3.482 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.523 -16.046 -4.192 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.639 -19.344 -6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.357 -19.495 -4.830 1.00 0.00 H new ATOM 420 N PRO A 28 4.990 -16.732 -6.190 1.00 0.00 N ATOM 421 CA PRO A 28 5.666 -15.990 -7.272 1.00 0.00 C ATOM 422 C PRO A 28 4.871 -16.017 -8.585 1.00 0.00 C ATOM 423 O PRO A 28 5.448 -15.931 -9.680 1.00 0.00 O ATOM 424 CB PRO A 28 6.972 -16.776 -7.433 1.00 0.00 C ATOM 425 CG PRO A 28 6.619 -18.175 -7.067 1.00 0.00 C ATOM 426 CD PRO A 28 5.575 -18.078 -5.993 1.00 0.00 C ATOM 0 HA PRO A 28 5.793 -14.933 -7.039 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.346 -16.717 -8.455 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.754 -16.382 -6.784 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.238 -18.719 -7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.495 -18.717 -6.710 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.823 -18.860 -6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.012 -18.183 -5.000 1.00 0.00 H new ATOM 434 N THR A 29 3.568 -16.052 -8.475 1.00 0.00 N ATOM 435 CA THR A 29 2.709 -16.219 -9.603 1.00 0.00 C ATOM 436 C THR A 29 1.396 -15.451 -9.401 1.00 0.00 C ATOM 437 O THR A 29 1.324 -14.542 -8.561 1.00 0.00 O ATOM 438 CB THR A 29 2.463 -17.724 -9.874 1.00 0.00 C ATOM 439 OG1 THR A 29 2.511 -18.470 -8.644 1.00 0.00 O ATOM 440 CG2 THR A 29 3.465 -18.289 -10.872 1.00 0.00 C ATOM 0 H THR A 29 3.075 -15.964 -7.587 1.00 0.00 H new ATOM 0 HA THR A 29 3.196 -15.801 -10.484 1.00 0.00 H new ATOM 0 HB THR A 29 1.469 -17.820 -10.311 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.892 -18.073 -7.996 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.259 -19.347 -11.035 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.379 -17.753 -11.817 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.475 -18.173 -10.479 1.00 0.00 H new ATOM 448 N GLU A 30 0.371 -15.796 -10.147 1.00 0.00 N ATOM 449 CA GLU A 30 -0.861 -15.052 -10.137 1.00 0.00 C ATOM 450 C GLU A 30 -1.724 -15.332 -8.895 1.00 0.00 C ATOM 451 O GLU A 30 -2.563 -14.531 -8.572 1.00 0.00 O ATOM 452 CB GLU A 30 -1.673 -15.370 -11.393 1.00 0.00 C ATOM 453 CG GLU A 30 -2.804 -14.399 -11.660 1.00 0.00 C ATOM 454 CD GLU A 30 -2.331 -13.111 -12.278 1.00 0.00 C ATOM 455 OE1 GLU A 30 -1.453 -12.436 -11.720 1.00 0.00 O ATOM 456 OE2 GLU A 30 -2.808 -12.774 -13.379 1.00 0.00 O ATOM 0 H GLU A 30 0.371 -16.599 -10.776 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.586 -13.997 -10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.004 -15.377 -12.253 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.085 -16.375 -11.302 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.532 -14.869 -12.322 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.318 -14.181 -10.724 1.00 0.00 H new ATOM 463 N LYS A 31 -1.495 -16.424 -8.176 1.00 0.00 N ATOM 464 CA LYS A 31 -2.418 -16.774 -7.086 1.00 0.00 C ATOM 465 C LYS A 31 -2.441 -15.756 -5.941 1.00 0.00 C ATOM 466 O LYS A 31 -3.519 -15.296 -5.545 1.00 0.00 O ATOM 467 CB LYS A 31 -2.245 -18.231 -6.574 1.00 0.00 C ATOM 468 CG LYS A 31 -3.288 -18.660 -5.520 1.00 0.00 C ATOM 469 CD LYS A 31 -2.940 -18.184 -4.107 1.00 0.00 C ATOM 470 CE LYS A 31 -4.181 -17.764 -3.345 1.00 0.00 C ATOM 471 NZ LYS A 31 -3.872 -17.342 -1.956 1.00 0.00 N ATOM 0 H LYS A 31 -0.713 -17.064 -8.313 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.406 -16.726 -7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.302 -18.912 -7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.248 -18.338 -6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.264 -18.265 -5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.372 -19.747 -5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.432 -18.983 -3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.245 -17.346 -4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.668 -16.944 -3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.889 -18.593 -3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.720 -16.922 -1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.574 -18.169 -1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.106 -16.639 -1.969 1.00 0.00 H new ATOM 485 N GLU A 32 -1.296 -15.404 -5.385 1.00 0.00 N ATOM 486 CA GLU A 32 -1.344 -14.475 -4.249 1.00 0.00 C ATOM 487 C GLU A 32 -1.734 -13.115 -4.785 1.00 0.00 C ATOM 488 O GLU A 32 -2.485 -12.383 -4.167 1.00 0.00 O ATOM 489 CB GLU A 32 -0.023 -14.429 -3.431 1.00 0.00 C ATOM 490 CG GLU A 32 -0.214 -14.185 -1.910 1.00 0.00 C ATOM 491 CD GLU A 32 -1.023 -15.324 -1.295 1.00 0.00 C ATOM 492 OE1 GLU A 32 -0.433 -16.343 -0.902 1.00 0.00 O ATOM 493 OE2 GLU A 32 -2.268 -15.239 -1.240 1.00 0.00 O ATOM 0 H GLU A 32 -0.369 -15.719 -5.672 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.087 -14.827 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.509 -15.370 -3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.612 -13.641 -3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.757 -14.112 -1.420 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.725 -13.236 -1.747 1.00 0.00 H new ATOM 500 N THR A 33 -1.251 -12.848 -5.970 1.00 0.00 N ATOM 501 CA THR A 33 -1.599 -11.701 -6.745 1.00 0.00 C ATOM 502 C THR A 33 -3.122 -11.534 -6.828 1.00 0.00 C ATOM 503 O THR A 33 -3.649 -10.538 -6.395 1.00 0.00 O ATOM 504 CB THR A 33 -1.052 -11.878 -8.151 1.00 0.00 C ATOM 505 OG1 THR A 33 0.351 -12.116 -8.041 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.306 -10.630 -8.981 1.00 0.00 C ATOM 0 H THR A 33 -0.576 -13.454 -6.435 1.00 0.00 H new ATOM 0 HA THR A 33 -1.175 -10.817 -6.269 1.00 0.00 H new ATOM 0 HB THR A 33 -1.546 -12.714 -8.646 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.520 -13.081 -8.040 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.908 -10.774 -9.985 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.378 -10.444 -9.039 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.814 -9.776 -8.514 1.00 0.00 H new ATOM 514 N GLU A 34 -3.815 -12.549 -7.328 1.00 0.00 N ATOM 515 CA GLU A 34 -5.254 -12.493 -7.539 1.00 0.00 C ATOM 516 C GLU A 34 -6.016 -12.389 -6.221 1.00 0.00 C ATOM 517 O GLU A 34 -7.009 -11.628 -6.121 1.00 0.00 O ATOM 518 CB GLU A 34 -5.734 -13.691 -8.354 1.00 0.00 C ATOM 519 CG GLU A 34 -5.688 -15.026 -7.611 1.00 0.00 C ATOM 520 CD GLU A 34 -6.151 -16.175 -8.454 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.352 -16.236 -8.796 1.00 0.00 O ATOM 522 OE2 GLU A 34 -5.338 -17.033 -8.804 1.00 0.00 O ATOM 0 H GLU A 34 -3.392 -13.437 -7.599 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.464 -11.587 -8.108 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.758 -13.506 -8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.124 -13.770 -9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.668 -15.215 -7.275 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.311 -14.962 -6.719 1.00 0.00 H new ATOM 529 N GLU A 35 -5.537 -13.145 -5.222 1.00 0.00 N ATOM 530 CA GLU A 35 -6.079 -13.176 -3.859 1.00 0.00 C ATOM 531 C GLU A 35 -6.164 -11.742 -3.375 1.00 0.00 C ATOM 532 O GLU A 35 -7.235 -11.168 -3.179 1.00 0.00 O ATOM 533 CB GLU A 35 -5.043 -13.937 -2.941 1.00 0.00 C ATOM 534 CG GLU A 35 -5.465 -14.148 -1.505 1.00 0.00 C ATOM 535 CD GLU A 35 -6.555 -15.161 -1.379 1.00 0.00 C ATOM 536 OE1 GLU A 35 -7.738 -14.821 -1.572 1.00 0.00 O ATOM 537 OE2 GLU A 35 -6.237 -16.344 -1.117 1.00 0.00 O ATOM 0 H GLU A 35 -4.739 -13.769 -5.345 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.053 -13.664 -3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.839 -14.911 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.105 -13.381 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.604 -14.469 -0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.802 -13.201 -1.084 1.00 0.00 H new ATOM 544 N ILE A 36 -5.024 -11.188 -3.302 1.00 0.00 N ATOM 545 CA ILE A 36 -4.764 -9.898 -2.805 1.00 0.00 C ATOM 546 C ILE A 36 -5.346 -8.795 -3.681 1.00 0.00 C ATOM 547 O ILE A 36 -5.971 -7.908 -3.175 1.00 0.00 O ATOM 548 CB ILE A 36 -3.257 -9.816 -2.662 1.00 0.00 C ATOM 549 CG1 ILE A 36 -2.801 -10.645 -1.446 1.00 0.00 C ATOM 550 CG2 ILE A 36 -2.684 -8.415 -2.702 1.00 0.00 C ATOM 551 CD1 ILE A 36 -1.382 -11.052 -1.535 1.00 0.00 C ATOM 0 H ILE A 36 -4.176 -11.662 -3.613 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.256 -9.738 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.828 -10.263 -3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.952 -10.063 -0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.426 -11.534 -1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.601 -8.462 -2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.932 -7.948 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.106 -7.826 -1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.114 -11.633 -0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.233 -11.659 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.752 -10.164 -1.590 1.00 0.00 H new ATOM 563 N THR A 37 -5.202 -8.876 -4.976 1.00 0.00 N ATOM 564 CA THR A 37 -5.683 -7.804 -5.814 1.00 0.00 C ATOM 565 C THR A 37 -7.201 -7.672 -5.758 1.00 0.00 C ATOM 566 O THR A 37 -7.718 -6.606 -5.407 1.00 0.00 O ATOM 567 CB THR A 37 -5.205 -7.918 -7.270 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.495 -9.227 -7.788 1.00 0.00 O ATOM 569 CG2 THR A 37 -3.705 -7.617 -7.394 1.00 0.00 C ATOM 0 H THR A 37 -4.765 -9.655 -5.469 1.00 0.00 H new ATOM 0 HA THR A 37 -5.246 -6.894 -5.403 1.00 0.00 H new ATOM 0 HB THR A 37 -5.744 -7.175 -7.858 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.736 -9.823 -7.615 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.401 -7.707 -8.437 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.507 -6.604 -7.044 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.140 -8.326 -6.789 1.00 0.00 H new ATOM 577 N SER A 38 -7.909 -8.767 -6.014 1.00 0.00 N ATOM 578 CA SER A 38 -9.338 -8.709 -6.048 1.00 0.00 C ATOM 579 C SER A 38 -9.923 -8.502 -4.648 1.00 0.00 C ATOM 580 O SER A 38 -10.742 -7.570 -4.448 1.00 0.00 O ATOM 581 CB SER A 38 -9.947 -9.933 -6.791 1.00 0.00 C ATOM 582 OG SER A 38 -11.372 -9.879 -6.847 1.00 0.00 O ATOM 0 H SER A 38 -7.509 -9.687 -6.197 1.00 0.00 H new ATOM 0 HA SER A 38 -9.623 -7.833 -6.631 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.547 -9.976 -7.804 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.640 -10.850 -6.288 1.00 0.00 H new ATOM 0 HG SER A 38 -11.711 -10.666 -7.323 1.00 0.00 H new ATOM 588 N LEU A 39 -9.447 -9.271 -3.655 1.00 0.00 N ATOM 589 CA LEU A 39 -10.017 -9.194 -2.339 1.00 0.00 C ATOM 590 C LEU A 39 -9.637 -7.896 -1.666 1.00 0.00 C ATOM 591 O LEU A 39 -10.510 -7.217 -1.096 1.00 0.00 O ATOM 592 CB LEU A 39 -9.651 -10.421 -1.477 1.00 0.00 C ATOM 593 CG LEU A 39 -10.146 -10.420 -0.033 1.00 0.00 C ATOM 594 CD1 LEU A 39 -11.667 -10.461 0.025 1.00 0.00 C ATOM 595 CD2 LEU A 39 -9.542 -11.586 0.720 1.00 0.00 C ATOM 0 H LEU A 39 -8.681 -9.937 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.102 -9.207 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.042 -11.311 -1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.565 -10.515 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.826 -9.493 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.992 -10.459 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.074 -9.587 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.026 -11.366 -0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.900 -11.579 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.835 -12.520 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.455 -11.500 0.713 1.00 0.00 H new ATOM 607 N TRP A 40 -8.367 -7.484 -1.785 1.00 0.00 N ATOM 608 CA TRP A 40 -7.974 -6.280 -1.131 1.00 0.00 C ATOM 609 C TRP A 40 -8.532 -5.128 -1.843 1.00 0.00 C ATOM 610 O TRP A 40 -9.334 -4.488 -1.287 1.00 0.00 O ATOM 611 CB TRP A 40 -6.470 -6.078 -0.940 1.00 0.00 C ATOM 612 CG TRP A 40 -5.770 -7.117 -0.147 1.00 0.00 C ATOM 613 CD1 TRP A 40 -6.298 -8.214 0.479 1.00 0.00 C ATOM 614 CD2 TRP A 40 -4.380 -7.148 0.083 1.00 0.00 C ATOM 615 NE1 TRP A 40 -5.297 -8.938 1.059 1.00 0.00 N ATOM 616 CE2 TRP A 40 -4.104 -8.297 0.832 1.00 0.00 C ATOM 617 CE3 TRP A 40 -3.329 -6.303 -0.294 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -2.819 -8.631 1.212 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -2.050 -6.631 0.087 1.00 0.00 C ATOM 620 CH2 TRP A 40 -1.805 -7.791 0.826 1.00 0.00 C ATOM 0 H TRP A 40 -7.636 -7.962 -2.312 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.376 -6.371 -0.122 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.003 -6.024 -1.923 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.311 -5.113 -0.458 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.347 -8.468 0.509 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.415 -9.810 1.575 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -3.520 -5.411 -0.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.620 -9.520 1.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.228 -5.987 -0.187 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.789 -8.033 1.101 1.00 0.00 H new ATOM 631 N GLN A 41 -8.187 -4.886 -3.129 1.00 0.00 N ATOM 632 CA GLN A 41 -8.635 -3.630 -3.733 1.00 0.00 C ATOM 633 C GLN A 41 -10.157 -3.533 -3.826 1.00 0.00 C ATOM 634 O GLN A 41 -10.718 -2.414 -3.764 1.00 0.00 O ATOM 635 CB GLN A 41 -7.839 -3.159 -5.008 1.00 0.00 C ATOM 636 CG GLN A 41 -8.211 -3.712 -6.383 1.00 0.00 C ATOM 637 CD GLN A 41 -9.294 -2.874 -7.048 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.479 -3.139 -6.894 1.00 0.00 O ATOM 639 NE2 GLN A 41 -8.891 -1.838 -7.772 1.00 0.00 N ATOM 0 H GLN A 41 -7.637 -5.503 -3.727 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.347 -2.858 -3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.923 -2.073 -5.061 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.787 -3.390 -4.838 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.326 -3.735 -7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.557 -4.741 -6.281 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.895 -1.647 -7.879 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.577 -1.232 -8.222 1.00 0.00 H new ATOM 648 N GLY A 42 -10.824 -4.698 -3.877 1.00 0.00 N ATOM 649 CA GLY A 42 -12.258 -4.724 -3.788 1.00 0.00 C ATOM 650 C GLY A 42 -12.716 -4.187 -2.436 1.00 0.00 C ATOM 651 O GLY A 42 -13.538 -3.277 -2.376 1.00 0.00 O ATOM 0 H GLY A 42 -10.383 -5.612 -3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.689 -4.125 -4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.619 -5.744 -3.923 1.00 0.00 H new ATOM 655 N SER A 43 -12.152 -4.708 -1.348 1.00 0.00 N ATOM 656 CA SER A 43 -12.500 -4.221 -0.021 1.00 0.00 C ATOM 657 C SER A 43 -11.870 -2.834 0.255 1.00 0.00 C ATOM 658 O SER A 43 -12.402 -2.045 1.035 1.00 0.00 O ATOM 659 CB SER A 43 -12.134 -5.247 1.064 1.00 0.00 C ATOM 660 OG SER A 43 -10.760 -5.607 1.009 1.00 0.00 O ATOM 0 H SER A 43 -11.461 -5.458 -1.361 1.00 0.00 H new ATOM 0 HA SER A 43 -13.582 -4.091 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.362 -4.834 2.047 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.748 -6.139 0.943 1.00 0.00 H new ATOM 0 HG SER A 43 -10.649 -6.386 0.425 1.00 0.00 H new ATOM 666 N LEU A 44 -10.757 -2.533 -0.432 1.00 0.00 N ATOM 667 CA LEU A 44 -10.091 -1.247 -0.327 1.00 0.00 C ATOM 668 C LEU A 44 -11.043 -0.156 -0.821 1.00 0.00 C ATOM 669 O LEU A 44 -11.048 0.959 -0.293 1.00 0.00 O ATOM 670 CB LEU A 44 -8.689 -1.191 -1.074 1.00 0.00 C ATOM 671 CG LEU A 44 -7.624 -2.271 -0.745 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.213 -1.995 -1.415 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.544 -2.514 0.760 1.00 0.00 C ATOM 0 H LEU A 44 -10.302 -3.182 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.850 -1.080 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.884 -1.235 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.245 -0.217 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.959 -3.201 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.519 -2.790 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.324 -1.967 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.825 -1.038 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.791 -3.275 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.271 -1.587 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.513 -2.854 1.126 1.00 0.00 H new ATOM 685 N PHE A 45 -11.878 -0.498 -1.819 1.00 0.00 N ATOM 686 CA PHE A 45 -12.911 0.418 -2.274 1.00 0.00 C ATOM 687 C PHE A 45 -14.199 0.232 -1.446 1.00 0.00 C ATOM 688 O PHE A 45 -14.910 1.190 -1.179 1.00 0.00 O ATOM 689 CB PHE A 45 -13.190 0.237 -3.780 1.00 0.00 C ATOM 690 CG PHE A 45 -14.251 1.150 -4.337 1.00 0.00 C ATOM 691 CD1 PHE A 45 -13.961 2.469 -4.636 1.00 0.00 C ATOM 692 CD2 PHE A 45 -15.537 0.682 -4.568 1.00 0.00 C ATOM 693 CE1 PHE A 45 -14.929 3.307 -5.151 1.00 0.00 C ATOM 694 CE2 PHE A 45 -16.509 1.515 -5.082 1.00 0.00 C ATOM 695 CZ PHE A 45 -16.205 2.829 -5.374 1.00 0.00 C ATOM 0 H PHE A 45 -11.850 -1.390 -2.312 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.553 1.437 -2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -12.263 0.401 -4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.488 -0.796 -3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -12.964 2.848 -4.464 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -15.779 -0.346 -4.343 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.689 4.335 -5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -17.507 1.139 -5.256 1.00 0.00 H new ATOM 0 HZ PHE A 45 -16.964 3.483 -5.777 1.00 0.00 H new ATOM 705 N ASN A 46 -14.462 -1.000 -1.009 1.00 0.00 N ATOM 706 CA ASN A 46 -15.670 -1.326 -0.225 1.00 0.00 C ATOM 707 C ASN A 46 -15.717 -0.582 1.119 1.00 0.00 C ATOM 708 O ASN A 46 -16.779 -0.125 1.551 1.00 0.00 O ATOM 709 CB ASN A 46 -15.823 -2.864 -0.048 1.00 0.00 C ATOM 710 CG ASN A 46 -16.955 -3.267 0.887 1.00 0.00 C ATOM 711 OD1 ASN A 46 -18.102 -3.421 0.468 1.00 0.00 O ATOM 712 ND2 ASN A 46 -16.640 -3.496 2.134 1.00 0.00 N ATOM 0 H ASN A 46 -13.853 -1.800 -1.183 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.529 -0.972 -0.795 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.993 -3.317 -1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.887 -3.271 0.334 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -17.354 -3.812 2.791 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -15.680 -3.359 2.451 1.00 0.00 H new ATOM 719 N ALA A 47 -14.568 -0.412 1.756 1.00 0.00 N ATOM 720 CA ALA A 47 -14.499 0.315 3.018 1.00 0.00 C ATOM 721 C ALA A 47 -14.280 1.802 2.753 1.00 0.00 C ATOM 722 O ALA A 47 -14.127 2.605 3.683 1.00 0.00 O ATOM 723 CB ALA A 47 -13.397 -0.250 3.898 1.00 0.00 C ATOM 0 H ALA A 47 -13.672 -0.766 1.422 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.444 0.196 3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.360 0.305 4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.600 -1.301 4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.440 -0.160 3.385 1.00 0.00 H new ATOM 729 N ASN A 48 -14.265 2.140 1.469 1.00 0.00 N ATOM 730 CA ASN A 48 -14.129 3.498 0.959 1.00 0.00 C ATOM 731 C ASN A 48 -12.894 4.225 1.532 1.00 0.00 C ATOM 732 O ASN A 48 -13.008 5.298 2.142 1.00 0.00 O ATOM 733 CB ASN A 48 -15.422 4.309 1.213 1.00 0.00 C ATOM 734 CG ASN A 48 -15.403 5.687 0.556 1.00 0.00 C ATOM 735 OD1 ASN A 48 -14.759 5.900 -0.482 1.00 0.00 O ATOM 736 ND2 ASN A 48 -16.094 6.621 1.141 1.00 0.00 N ATOM 0 H ASN A 48 -14.351 1.447 0.725 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.972 3.421 -0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.277 3.746 0.838 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.565 4.427 2.287 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.117 7.561 0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.613 6.413 1.994 1.00 0.00 H new ATOM 743 N TYR A 49 -11.717 3.611 1.446 1.00 0.00 N ATOM 744 CA TYR A 49 -10.507 4.325 1.832 1.00 0.00 C ATOM 745 C TYR A 49 -10.121 5.591 0.942 1.00 0.00 C ATOM 746 O TYR A 49 -9.226 6.332 1.325 1.00 0.00 O ATOM 747 CB TYR A 49 -9.369 3.353 1.920 1.00 0.00 C ATOM 748 CG TYR A 49 -9.031 2.908 3.285 1.00 0.00 C ATOM 749 CD1 TYR A 49 -8.514 3.788 4.214 1.00 0.00 C ATOM 750 CD2 TYR A 49 -9.192 1.590 3.636 1.00 0.00 C ATOM 751 CE1 TYR A 49 -8.171 3.357 5.469 1.00 0.00 C ATOM 752 CE2 TYR A 49 -8.844 1.140 4.879 1.00 0.00 C ATOM 753 CZ TYR A 49 -8.332 2.031 5.800 1.00 0.00 C ATOM 754 OH TYR A 49 -7.961 1.593 7.048 1.00 0.00 O ATOM 0 H TYR A 49 -11.577 2.653 1.124 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.724 4.764 2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.612 2.477 1.319 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.486 3.810 1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.378 4.826 3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.601 0.896 2.917 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.777 4.054 6.194 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.968 0.099 5.137 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.140 0.632 7.124 1.00 0.00 H new ATOM 764 N ASP A 50 -10.829 5.848 -0.182 1.00 0.00 N ATOM 765 CA ASP A 50 -10.546 6.954 -1.140 1.00 0.00 C ATOM 766 C ASP A 50 -9.156 6.786 -1.734 1.00 0.00 C ATOM 767 O ASP A 50 -8.225 7.512 -1.413 1.00 0.00 O ATOM 768 CB ASP A 50 -10.738 8.364 -0.522 1.00 0.00 C ATOM 769 CG ASP A 50 -10.895 9.424 -1.588 1.00 0.00 C ATOM 770 OD1 ASP A 50 -11.910 9.379 -2.324 1.00 0.00 O ATOM 771 OD2 ASP A 50 -10.028 10.304 -1.740 1.00 0.00 O ATOM 0 H ASP A 50 -11.632 5.283 -0.459 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.284 6.885 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.617 8.362 0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.882 8.605 0.108 1.00 0.00 H new ATOM 776 N VAL A 51 -9.016 5.747 -2.530 1.00 0.00 N ATOM 777 CA VAL A 51 -7.730 5.315 -3.059 1.00 0.00 C ATOM 778 C VAL A 51 -7.883 4.692 -4.453 1.00 0.00 C ATOM 779 O VAL A 51 -8.994 4.474 -4.934 1.00 0.00 O ATOM 780 CB VAL A 51 -7.091 4.255 -2.120 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.422 4.859 -0.901 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.144 3.324 -1.660 1.00 0.00 C ATOM 0 H VAL A 51 -9.799 5.168 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.093 6.197 -3.125 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.320 3.745 -2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.997 4.064 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.629 5.536 -1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.159 5.412 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.705 2.576 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.910 3.880 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.594 2.829 -2.521 1.00 0.00 H new ATOM 792 N GLN A 52 -6.765 4.356 -5.054 1.00 0.00 N ATOM 793 CA GLN A 52 -6.686 3.699 -6.377 1.00 0.00 C ATOM 794 C GLN A 52 -5.748 2.535 -6.188 1.00 0.00 C ATOM 795 O GLN A 52 -4.685 2.701 -5.683 1.00 0.00 O ATOM 796 CB GLN A 52 -6.095 4.693 -7.375 1.00 0.00 C ATOM 797 CG GLN A 52 -6.895 5.989 -7.507 1.00 0.00 C ATOM 798 CD GLN A 52 -6.100 7.124 -8.131 1.00 0.00 C ATOM 799 OE1 GLN A 52 -6.341 8.307 -7.837 1.00 0.00 O ATOM 800 NE2 GLN A 52 -5.151 6.799 -8.958 1.00 0.00 N ATOM 0 H GLN A 52 -5.849 4.529 -4.640 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.657 3.372 -6.749 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.077 4.936 -7.071 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.031 4.216 -8.353 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.782 5.800 -8.112 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.241 6.296 -6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.980 5.818 -9.178 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.578 7.525 -9.387 1.00 0.00 H new ATOM 809 N ARG A 53 -6.157 1.361 -6.512 1.00 0.00 N ATOM 810 CA ARG A 53 -5.344 0.198 -6.202 1.00 0.00 C ATOM 811 C ARG A 53 -5.326 -0.653 -7.421 1.00 0.00 C ATOM 812 O ARG A 53 -6.365 -0.842 -8.045 1.00 0.00 O ATOM 813 CB ARG A 53 -5.869 -0.596 -4.977 1.00 0.00 C ATOM 814 CG ARG A 53 -6.204 0.210 -3.722 1.00 0.00 C ATOM 815 CD ARG A 53 -7.445 0.998 -3.907 1.00 0.00 C ATOM 816 NE ARG A 53 -8.617 0.186 -4.287 1.00 0.00 N ATOM 817 CZ ARG A 53 -9.585 0.587 -5.148 1.00 0.00 C ATOM 818 NH1 ARG A 53 -9.601 1.827 -5.607 1.00 0.00 N ATOM 819 NH2 ARG A 53 -10.552 -0.240 -5.496 1.00 0.00 N ATOM 0 H ARG A 53 -7.037 1.162 -6.987 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.340 0.519 -5.926 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.765 -1.137 -5.282 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.121 -1.343 -4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.321 -0.465 -2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.377 0.879 -3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.668 1.529 -2.982 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.274 1.753 -4.675 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.705 -0.742 -3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.882 2.489 -5.314 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.332 2.122 -6.254 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.574 -1.187 -5.117 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.277 0.067 -6.144 1.00 0.00 H new ATOM 833 N PHE A 54 -4.196 -1.165 -7.771 1.00 0.00 N ATOM 834 CA PHE A 54 -4.085 -1.735 -9.097 1.00 0.00 C ATOM 835 C PHE A 54 -3.391 -3.074 -9.122 1.00 0.00 C ATOM 836 O PHE A 54 -2.551 -3.379 -8.249 1.00 0.00 O ATOM 837 CB PHE A 54 -3.396 -0.715 -10.041 1.00 0.00 C ATOM 838 CG PHE A 54 -3.414 -1.081 -11.501 1.00 0.00 C ATOM 839 CD1 PHE A 54 -4.606 -1.123 -12.196 1.00 0.00 C ATOM 840 CD2 PHE A 54 -2.246 -1.369 -12.181 1.00 0.00 C ATOM 841 CE1 PHE A 54 -4.635 -1.453 -13.529 1.00 0.00 C ATOM 842 CE2 PHE A 54 -2.272 -1.698 -13.516 1.00 0.00 C ATOM 843 CZ PHE A 54 -3.466 -1.741 -14.190 1.00 0.00 C ATOM 0 H PHE A 54 -3.357 -1.208 -7.193 1.00 0.00 H new ATOM 0 HA PHE A 54 -5.096 -1.935 -9.452 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.881 0.254 -9.919 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.360 -0.594 -9.726 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.529 -0.893 -11.684 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.302 -1.335 -11.658 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.577 -1.486 -14.057 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.352 -1.923 -14.034 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.487 -2.001 -15.238 1.00 0.00 H new ATOM 853 N ILE A 55 -3.780 -3.881 -10.096 1.00 0.00 N ATOM 854 CA ILE A 55 -3.128 -5.127 -10.398 1.00 0.00 C ATOM 855 C ILE A 55 -2.096 -4.844 -11.472 1.00 0.00 C ATOM 856 O ILE A 55 -2.432 -4.763 -12.655 1.00 0.00 O ATOM 857 CB ILE A 55 -4.106 -6.184 -10.979 1.00 0.00 C ATOM 858 CG1 ILE A 55 -5.372 -6.283 -10.130 1.00 0.00 C ATOM 859 CG2 ILE A 55 -3.408 -7.549 -11.080 1.00 0.00 C ATOM 860 CD1 ILE A 55 -6.354 -7.330 -10.602 1.00 0.00 C ATOM 0 H ILE A 55 -4.573 -3.677 -10.705 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.702 -5.521 -9.475 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.402 -5.868 -11.980 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.089 -6.504 -9.101 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.868 -5.312 -10.123 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.102 -8.283 -11.489 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.540 -7.466 -11.735 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.085 -7.867 -10.089 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.224 -7.335 -9.945 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.669 -7.101 -11.620 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.878 -8.310 -10.582 1.00 0.00 H new ATOM 872 N VAL A 56 -0.879 -4.645 -11.065 1.00 0.00 N ATOM 873 CA VAL A 56 0.194 -4.376 -11.974 1.00 0.00 C ATOM 874 C VAL A 56 0.647 -5.690 -12.565 1.00 0.00 C ATOM 875 O VAL A 56 1.040 -5.759 -13.734 1.00 0.00 O ATOM 876 CB VAL A 56 1.382 -3.678 -11.261 1.00 0.00 C ATOM 877 CG1 VAL A 56 2.456 -3.238 -12.249 1.00 0.00 C ATOM 878 CG2 VAL A 56 0.900 -2.501 -10.438 1.00 0.00 C ATOM 0 H VAL A 56 -0.600 -4.665 -10.084 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.157 -3.701 -12.755 1.00 0.00 H new ATOM 0 HB VAL A 56 1.833 -4.410 -10.590 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.270 -2.754 -11.710 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.840 -4.109 -12.780 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.027 -2.536 -12.964 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.750 -2.027 -9.947 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.408 -1.779 -11.089 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.194 -2.849 -9.684 1.00 0.00 H new ATOM 888 N GLY A 57 0.576 -6.739 -11.769 1.00 0.00 N ATOM 889 CA GLY A 57 0.908 -8.043 -12.294 1.00 0.00 C ATOM 890 C GLY A 57 1.111 -9.065 -11.238 1.00 0.00 C ATOM 891 O GLY A 57 0.965 -8.774 -10.065 1.00 0.00 O ATOM 0 H GLY A 57 0.300 -6.716 -10.787 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.111 -8.372 -12.961 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.814 -7.966 -12.894 1.00 0.00 H new ATOM 895 N SER A 58 1.437 -10.261 -11.658 1.00 0.00 N ATOM 896 CA SER A 58 1.727 -11.354 -10.769 1.00 0.00 C ATOM 897 C SER A 58 2.913 -10.965 -9.903 1.00 0.00 C ATOM 898 O SER A 58 3.957 -10.603 -10.442 1.00 0.00 O ATOM 899 CB SER A 58 2.069 -12.563 -11.622 1.00 0.00 C ATOM 900 OG SER A 58 1.029 -12.803 -12.566 1.00 0.00 O ATOM 0 H SER A 58 1.509 -10.505 -12.646 1.00 0.00 H new ATOM 0 HA SER A 58 0.878 -11.586 -10.126 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.012 -12.396 -12.142 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.205 -13.439 -10.988 1.00 0.00 H new ATOM 0 HG SER A 58 0.160 -12.638 -12.144 1.00 0.00 H new ATOM 906 N ASP A 59 2.717 -10.959 -8.577 1.00 0.00 N ATOM 907 CA ASP A 59 3.752 -10.584 -7.612 1.00 0.00 C ATOM 908 C ASP A 59 3.900 -9.021 -7.508 1.00 0.00 C ATOM 909 O ASP A 59 4.749 -8.492 -6.784 1.00 0.00 O ATOM 910 CB ASP A 59 5.092 -11.432 -7.857 1.00 0.00 C ATOM 911 CG ASP A 59 6.449 -10.769 -7.519 1.00 0.00 C ATOM 912 OD1 ASP A 59 7.008 -10.009 -8.366 1.00 0.00 O ATOM 913 OD2 ASP A 59 7.030 -11.068 -6.477 1.00 0.00 O ATOM 0 H ASP A 59 1.830 -11.216 -8.145 1.00 0.00 H new ATOM 0 HA ASP A 59 3.451 -10.866 -6.603 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.016 -12.350 -7.275 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.115 -11.722 -8.908 1.00 0.00 H new ATOM 918 N ARG A 60 2.959 -8.281 -8.157 1.00 0.00 N ATOM 919 CA ARG A 60 2.972 -6.806 -8.150 1.00 0.00 C ATOM 920 C ARG A 60 1.525 -6.223 -7.946 1.00 0.00 C ATOM 921 O ARG A 60 0.648 -6.382 -8.812 1.00 0.00 O ATOM 922 CB ARG A 60 3.519 -6.286 -9.481 1.00 0.00 C ATOM 923 CG ARG A 60 4.039 -4.870 -9.401 1.00 0.00 C ATOM 924 CD ARG A 60 5.399 -4.842 -8.739 1.00 0.00 C ATOM 925 NE ARG A 60 6.435 -5.382 -9.627 1.00 0.00 N ATOM 926 CZ ARG A 60 7.086 -6.550 -9.469 1.00 0.00 C ATOM 927 NH1 ARG A 60 6.782 -7.362 -8.461 1.00 0.00 N ATOM 928 NH2 ARG A 60 8.044 -6.886 -10.325 1.00 0.00 N ATOM 0 H ARG A 60 2.188 -8.688 -8.687 1.00 0.00 H new ATOM 0 HA ARG A 60 3.606 -6.485 -7.323 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.322 -6.942 -9.817 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.732 -6.335 -10.233 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.106 -4.444 -10.402 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.341 -4.251 -8.837 1.00 0.00 H new ATOM 0 HD2 ARG A 60 5.651 -3.818 -8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.369 -5.422 -7.817 1.00 0.00 H new ATOM 0 HE ARG A 60 6.685 -4.820 -10.440 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.050 -7.102 -7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.280 -8.245 -8.349 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.282 -6.261 -11.095 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.542 -7.769 -10.212 1.00 0.00 H new ATOM 942 N ALA A 61 1.322 -5.477 -6.873 1.00 0.00 N ATOM 943 CA ALA A 61 0.000 -4.950 -6.497 1.00 0.00 C ATOM 944 C ALA A 61 0.181 -3.519 -6.064 1.00 0.00 C ATOM 945 O ALA A 61 1.334 -3.115 -5.826 1.00 0.00 O ATOM 946 CB ALA A 61 -0.540 -5.765 -5.320 1.00 0.00 C ATOM 0 H ALA A 61 2.067 -5.213 -6.228 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.695 -5.012 -7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.520 -5.384 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.630 -6.811 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.144 -5.682 -4.475 1.00 0.00 H new ATOM 952 N ILE A 62 -0.882 -2.696 -6.014 1.00 0.00 N ATOM 953 CA ILE A 62 -0.691 -1.393 -5.401 1.00 0.00 C ATOM 954 C ILE A 62 -1.881 -1.011 -4.635 1.00 0.00 C ATOM 955 O ILE A 62 -3.014 -1.456 -4.959 1.00 0.00 O ATOM 956 CB ILE A 62 -0.475 -0.165 -6.370 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.827 0.434 -6.830 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.391 -0.500 -7.547 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.694 1.677 -7.685 1.00 0.00 C ATOM 0 H ILE A 62 -1.817 -2.899 -6.367 1.00 0.00 H new ATOM 0 HA ILE A 62 0.219 -1.552 -4.822 1.00 0.00 H new ATOM 0 HB ILE A 62 0.057 0.591 -5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.375 -0.323 -7.391 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.424 0.673 -5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.504 0.382 -8.178 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.371 -0.824 -7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.072 -1.301 -8.123 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.685 2.034 -7.965 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.175 2.452 -7.121 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.126 1.441 -8.585 1.00 0.00 H new ATOM 971 N PHE A 63 -1.634 -0.128 -3.700 1.00 0.00 N ATOM 972 CA PHE A 63 -2.654 0.660 -3.091 1.00 0.00 C ATOM 973 C PHE A 63 -2.189 2.101 -3.058 1.00 0.00 C ATOM 974 O PHE A 63 -1.300 2.483 -2.322 1.00 0.00 O ATOM 975 CB PHE A 63 -3.257 0.116 -1.759 1.00 0.00 C ATOM 976 CG PHE A 63 -2.356 -0.118 -0.581 1.00 0.00 C ATOM 977 CD1 PHE A 63 -1.434 -1.147 -0.583 1.00 0.00 C ATOM 978 CD2 PHE A 63 -2.491 0.646 0.574 1.00 0.00 C ATOM 979 CE1 PHE A 63 -0.664 -1.397 0.525 1.00 0.00 C ATOM 980 CE2 PHE A 63 -1.720 0.393 1.658 1.00 0.00 C ATOM 981 CZ PHE A 63 -0.803 -0.628 1.641 1.00 0.00 C ATOM 0 H PHE A 63 -0.698 0.060 -3.340 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.543 0.590 -3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.033 0.813 -1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.750 -0.829 -1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -1.318 -1.760 -1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.216 1.446 0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.053 -2.204 0.512 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.828 1.000 2.544 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.193 -0.821 2.511 1.00 0.00 H new ATOM 991 N MET A 64 -2.704 2.849 -3.980 1.00 0.00 N ATOM 992 CA MET A 64 -2.323 4.244 -4.172 1.00 0.00 C ATOM 993 C MET A 64 -3.147 5.142 -3.305 1.00 0.00 C ATOM 994 O MET A 64 -4.373 5.257 -3.484 1.00 0.00 O ATOM 995 CB MET A 64 -2.422 4.637 -5.662 1.00 0.00 C ATOM 996 CG MET A 64 -2.159 6.101 -5.998 1.00 0.00 C ATOM 997 SD MET A 64 -1.974 6.342 -7.768 1.00 0.00 S ATOM 998 CE MET A 64 -1.642 8.093 -7.846 1.00 0.00 C ATOM 0 H MET A 64 -3.411 2.521 -4.638 1.00 0.00 H new ATOM 0 HA MET A 64 -1.282 4.364 -3.871 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.716 4.026 -6.224 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.420 4.379 -6.017 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.981 6.714 -5.629 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.257 6.437 -5.487 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.504 8.391 -8.885 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.481 8.642 -7.419 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.737 8.317 -7.281 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.470 5.753 -2.375 1.00 0.00 N ATOM 1009 CA LEU A 65 -3.043 6.633 -1.398 1.00 0.00 C ATOM 1010 C LEU A 65 -3.259 7.951 -1.943 1.00 0.00 C ATOM 1011 O LEU A 65 -2.451 8.473 -2.757 1.00 0.00 O ATOM 1012 CB LEU A 65 -2.183 7.014 -0.258 1.00 0.00 C ATOM 1013 CG LEU A 65 -1.621 6.100 0.714 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -0.814 5.042 0.067 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -0.759 6.979 1.569 1.00 0.00 C ATOM 0 H LEU A 65 -1.461 5.647 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.913 6.049 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.335 7.545 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.756 7.742 0.316 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.390 5.572 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.409 4.376 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.443 4.472 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.005 5.498 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.283 6.379 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.007 7.449 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.374 7.750 2.034 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.253 8.524 -1.441 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.504 9.872 -1.679 1.00 0.00 C ATOM 1029 C ARG A 66 -4.416 10.540 -0.273 1.00 0.00 C ATOM 1030 O ARG A 66 -4.385 9.804 0.723 1.00 0.00 O ATOM 1031 CB ARG A 66 -5.870 10.034 -2.335 1.00 0.00 C ATOM 1032 CG ARG A 66 -6.206 11.434 -2.785 1.00 0.00 C ATOM 1033 CD ARG A 66 -7.533 11.452 -3.500 1.00 0.00 C ATOM 1034 NE ARG A 66 -7.531 10.623 -4.725 1.00 0.00 N ATOM 1035 CZ ARG A 66 -8.578 9.894 -5.142 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -9.656 9.790 -4.388 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -8.521 9.220 -6.289 1.00 0.00 N ATOM 0 H ARG A 66 -4.935 8.065 -0.838 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.798 10.337 -2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.921 9.370 -3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.634 9.703 -1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.241 12.101 -1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.424 11.808 -3.446 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.310 11.094 -2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.787 12.479 -3.761 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.681 10.604 -5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.695 10.264 -3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.450 9.235 -4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.676 9.255 -6.860 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.322 8.669 -6.597 1.00 0.00 H new ATOM 1051 N ASP A 67 -4.271 11.875 -0.174 1.00 0.00 N ATOM 1052 CA ASP A 67 -4.269 12.586 1.129 1.00 0.00 C ATOM 1053 C ASP A 67 -2.970 12.488 1.953 1.00 0.00 C ATOM 1054 O ASP A 67 -2.602 13.441 2.593 1.00 0.00 O ATOM 1055 CB ASP A 67 -5.520 12.295 2.011 1.00 0.00 C ATOM 1056 CG ASP A 67 -6.642 13.280 1.800 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -6.584 14.391 2.362 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -7.624 12.966 1.084 1.00 0.00 O ATOM 0 H ASP A 67 -4.153 12.489 -0.980 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.324 13.627 0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.883 11.290 1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.227 12.309 3.061 1.00 0.00 H new ATOM 1063 N GLY A 68 -2.275 11.368 1.945 1.00 0.00 N ATOM 1064 CA GLY A 68 -1.063 11.267 2.725 1.00 0.00 C ATOM 1065 C GLY A 68 -1.270 10.707 4.135 1.00 0.00 C ATOM 1066 O GLY A 68 -0.394 10.051 4.678 1.00 0.00 O ATOM 0 H GLY A 68 -2.524 10.531 1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.354 10.632 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.610 12.255 2.801 1.00 0.00 H new ATOM 1070 N SER A 69 -2.434 10.925 4.703 1.00 0.00 N ATOM 1071 CA SER A 69 -2.646 10.671 6.114 1.00 0.00 C ATOM 1072 C SER A 69 -3.272 9.294 6.463 1.00 0.00 C ATOM 1073 O SER A 69 -3.980 9.175 7.476 1.00 0.00 O ATOM 1074 CB SER A 69 -3.478 11.819 6.666 1.00 0.00 C ATOM 1075 OG SER A 69 -2.812 13.067 6.416 1.00 0.00 O ATOM 0 H SER A 69 -3.253 11.279 4.209 1.00 0.00 H new ATOM 0 HA SER A 69 -1.665 10.619 6.585 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.464 11.823 6.200 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.632 11.687 7.737 1.00 0.00 H new ATOM 0 HG SER A 69 -3.352 13.803 6.772 1.00 0.00 H new ATOM 1081 N TYR A 70 -2.966 8.257 5.681 1.00 0.00 N ATOM 1082 CA TYR A 70 -3.466 6.887 5.941 1.00 0.00 C ATOM 1083 C TYR A 70 -2.909 5.929 4.896 1.00 0.00 C ATOM 1084 O TYR A 70 -2.851 6.334 3.749 1.00 0.00 O ATOM 1085 CB TYR A 70 -5.028 6.847 5.892 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.664 7.328 4.577 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -5.785 6.471 3.509 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -6.114 8.626 4.419 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -6.326 6.852 2.314 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -6.663 9.038 3.224 1.00 0.00 C ATOM 1091 CZ TYR A 70 -6.769 8.147 2.171 1.00 0.00 C ATOM 1092 OH TYR A 70 -7.304 8.568 0.976 1.00 0.00 O ATOM 0 H TYR A 70 -2.371 8.331 4.856 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.136 6.586 6.935 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.353 5.824 6.079 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.415 7.459 6.707 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -5.438 5.454 3.619 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.034 9.323 5.240 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.405 6.150 1.497 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.010 10.054 3.110 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.473 7.792 0.402 1.00 0.00 H new ATOM 1102 N ALA A 71 -2.447 4.689 5.315 1.00 0.00 N ATOM 1103 CA ALA A 71 -2.042 3.575 4.361 1.00 0.00 C ATOM 1104 C ALA A 71 -1.214 2.457 5.002 1.00 0.00 C ATOM 1105 O ALA A 71 -1.361 1.266 4.670 1.00 0.00 O ATOM 1106 CB ALA A 71 -1.275 4.069 3.171 1.00 0.00 C ATOM 0 H ALA A 71 -2.347 4.438 6.299 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.005 3.168 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.016 3.226 2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.887 4.776 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.363 4.564 3.506 1.00 0.00 H new ATOM 1112 N TRP A 72 -0.372 2.778 5.928 1.00 0.00 N ATOM 1113 CA TRP A 72 0.516 1.766 6.424 1.00 0.00 C ATOM 1114 C TRP A 72 -0.175 0.859 7.450 1.00 0.00 C ATOM 1115 O TRP A 72 0.319 -0.215 7.811 1.00 0.00 O ATOM 1116 CB TRP A 72 1.913 2.319 6.806 1.00 0.00 C ATOM 1117 CG TRP A 72 2.737 2.737 5.567 1.00 0.00 C ATOM 1118 CD1 TRP A 72 3.732 2.019 4.956 1.00 0.00 C ATOM 1119 CD2 TRP A 72 2.605 3.951 4.792 1.00 0.00 C ATOM 1120 NE1 TRP A 72 4.220 2.705 3.852 1.00 0.00 N ATOM 1121 CE2 TRP A 72 3.536 3.896 3.720 1.00 0.00 C ATOM 1122 CE3 TRP A 72 1.794 5.060 4.902 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 3.639 4.951 2.754 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 1.913 6.076 3.978 1.00 0.00 C ATOM 1125 CH2 TRP A 72 2.830 5.993 2.921 1.00 0.00 C ATOM 0 H TRP A 72 -0.276 3.702 6.349 1.00 0.00 H new ATOM 0 HA TRP A 72 0.758 1.089 5.605 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.793 3.178 7.467 1.00 0.00 H new ATOM 0 HB3 TRP A 72 2.461 1.561 7.365 1.00 0.00 H new ATOM 0 HD1 TRP A 72 4.087 1.054 5.287 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.966 2.380 3.236 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.073 5.132 5.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.338 4.902 1.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.288 6.952 4.070 1.00 0.00 H new ATOM 0 HH2 TRP A 72 2.881 6.808 2.214 1.00 0.00 H new ATOM 1136 N GLU A 73 -1.364 1.267 7.850 1.00 0.00 N ATOM 1137 CA GLU A 73 -2.239 0.433 8.640 1.00 0.00 C ATOM 1138 C GLU A 73 -2.768 -0.671 7.685 1.00 0.00 C ATOM 1139 O GLU A 73 -2.893 -1.909 8.058 1.00 0.00 O ATOM 1140 CB GLU A 73 -3.419 1.253 9.260 1.00 0.00 C ATOM 1141 CG GLU A 73 -3.050 2.654 9.799 1.00 0.00 C ATOM 1142 CD GLU A 73 -2.942 3.722 8.705 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -1.863 3.883 8.095 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -3.944 4.401 8.431 1.00 0.00 O ATOM 0 H GLU A 73 -1.748 2.187 7.634 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.700 0.003 9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.195 1.368 8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.852 0.673 10.075 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.801 2.964 10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.100 2.592 10.330 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.987 -0.256 6.397 1.00 0.00 N ATOM 1152 CA ILE A 74 -3.364 -1.180 5.381 1.00 0.00 C ATOM 1153 C ILE A 74 -2.184 -2.196 5.235 1.00 0.00 C ATOM 1154 O ILE A 74 -2.379 -3.432 5.137 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.686 -0.507 3.977 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.941 0.362 3.975 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.868 -1.580 2.963 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.996 1.340 2.829 1.00 0.00 C ATOM 0 H ILE A 74 -2.899 0.710 6.083 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.295 -1.662 5.681 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.844 0.146 3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.819 -0.283 3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.993 0.912 4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.090 -1.132 1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.954 -2.170 2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.694 -2.226 3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.915 1.923 2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.137 2.009 2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.976 0.796 1.885 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.942 -1.643 5.326 1.00 0.00 N ATOM 1171 CA LYS A 75 0.291 -2.428 5.263 1.00 0.00 C ATOM 1172 C LYS A 75 0.377 -3.446 6.412 1.00 0.00 C ATOM 1173 O LYS A 75 0.868 -4.569 6.230 1.00 0.00 O ATOM 1174 CB LYS A 75 1.538 -1.479 5.179 1.00 0.00 C ATOM 1175 CG LYS A 75 2.936 -2.121 5.336 1.00 0.00 C ATOM 1176 CD LYS A 75 3.326 -2.312 6.811 1.00 0.00 C ATOM 1177 CE LYS A 75 4.694 -2.953 6.962 1.00 0.00 C ATOM 1178 NZ LYS A 75 5.107 -3.066 8.382 1.00 0.00 N ATOM 0 H LYS A 75 -0.785 -0.642 5.445 1.00 0.00 H new ATOM 0 HA LYS A 75 0.281 -3.022 4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.508 -0.969 4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.431 -0.714 5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.949 -3.087 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.679 -1.494 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.322 -1.345 7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.579 -2.933 7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.681 -3.945 6.509 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.431 -2.364 6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.046 -3.509 8.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.146 -2.118 8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.419 -3.650 8.898 1.00 0.00 H new ATOM 1192 N ASP A 76 -0.085 -3.070 7.579 1.00 0.00 N ATOM 1193 CA ASP A 76 -0.077 -4.013 8.698 1.00 0.00 C ATOM 1194 C ASP A 76 -0.953 -5.225 8.372 1.00 0.00 C ATOM 1195 O ASP A 76 -0.492 -6.395 8.467 1.00 0.00 O ATOM 1196 CB ASP A 76 -0.536 -3.364 10.002 1.00 0.00 C ATOM 1197 CG ASP A 76 -0.327 -4.279 11.196 1.00 0.00 C ATOM 1198 OD1 ASP A 76 0.813 -4.316 11.733 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -1.283 -4.953 11.640 1.00 0.00 O ATOM 0 H ASP A 76 -0.464 -2.146 7.788 1.00 0.00 H new ATOM 0 HA ASP A 76 0.953 -4.338 8.843 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.012 -2.435 10.157 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.592 -3.103 9.925 1.00 0.00 H new ATOM 1204 N PHE A 77 -2.183 -4.953 7.882 1.00 0.00 N ATOM 1205 CA PHE A 77 -3.121 -6.069 7.530 1.00 0.00 C ATOM 1206 C PHE A 77 -2.474 -6.994 6.499 1.00 0.00 C ATOM 1207 O PHE A 77 -2.477 -8.248 6.622 1.00 0.00 O ATOM 1208 CB PHE A 77 -4.435 -5.508 6.966 1.00 0.00 C ATOM 1209 CG PHE A 77 -5.473 -6.513 6.567 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -5.917 -7.467 7.463 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -6.016 -6.491 5.277 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -6.875 -8.380 7.094 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -6.975 -7.406 4.910 1.00 0.00 C ATOM 1214 CZ PHE A 77 -7.405 -8.348 5.819 1.00 0.00 C ATOM 0 H PHE A 77 -2.549 -4.014 7.722 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.338 -6.635 8.436 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.871 -4.845 7.713 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.199 -4.896 6.095 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.507 -7.495 8.462 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.680 -5.751 4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -7.214 -9.123 7.801 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -7.390 -7.386 3.913 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.160 -9.065 5.533 1.00 0.00 H new ATOM 1224 N LEU A 78 -1.877 -6.392 5.511 1.00 0.00 N ATOM 1225 CA LEU A 78 -1.259 -7.157 4.489 1.00 0.00 C ATOM 1226 C LEU A 78 -0.152 -8.048 4.956 1.00 0.00 C ATOM 1227 O LEU A 78 -0.197 -9.230 4.707 1.00 0.00 O ATOM 1228 CB LEU A 78 -0.934 -6.352 3.289 1.00 0.00 C ATOM 1229 CG LEU A 78 -0.123 -5.116 3.372 1.00 0.00 C ATOM 1230 CD1 LEU A 78 1.352 -5.405 3.417 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -0.433 -4.359 2.190 1.00 0.00 C ATOM 0 H LEU A 78 -1.810 -5.380 5.399 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.021 -7.866 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.424 -7.017 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.883 -6.076 2.829 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.358 -4.575 4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.905 -4.468 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.577 -6.016 4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.645 -5.942 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.137 -3.430 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.173 -4.942 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.499 -4.130 2.173 1.00 0.00 H new ATOM 1243 N VAL A 79 0.779 -7.549 5.729 1.00 0.00 N ATOM 1244 CA VAL A 79 1.829 -8.444 6.174 1.00 0.00 C ATOM 1245 C VAL A 79 1.360 -9.378 7.251 1.00 0.00 C ATOM 1246 O VAL A 79 2.068 -10.307 7.649 1.00 0.00 O ATOM 1247 CB VAL A 79 3.145 -7.764 6.517 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.708 -7.210 5.248 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.957 -6.669 7.546 1.00 0.00 C ATOM 0 H VAL A 79 0.839 -6.583 6.052 1.00 0.00 H new ATOM 0 HA VAL A 79 2.064 -9.051 5.300 1.00 0.00 H new ATOM 0 HB VAL A 79 3.831 -8.487 6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.656 -6.713 5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.872 -8.021 4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.008 -6.491 4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.919 -6.207 7.765 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.273 -5.916 7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.543 -7.095 8.460 1.00 0.00 H new ATOM 1259 N SER A 80 0.168 -9.148 7.699 1.00 0.00 N ATOM 1260 CA SER A 80 -0.462 -10.024 8.596 1.00 0.00 C ATOM 1261 C SER A 80 -1.393 -10.989 7.818 1.00 0.00 C ATOM 1262 O SER A 80 -1.953 -11.917 8.411 1.00 0.00 O ATOM 1263 CB SER A 80 -1.245 -9.227 9.657 1.00 0.00 C ATOM 1264 OG SER A 80 -1.756 -10.073 10.687 1.00 0.00 O ATOM 0 H SER A 80 -0.390 -8.334 7.442 1.00 0.00 H new ATOM 0 HA SER A 80 0.292 -10.617 9.113 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.594 -8.471 10.097 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.070 -8.698 9.179 1.00 0.00 H new ATOM 0 HG SER A 80 -1.947 -10.960 10.317 1.00 0.00 H new ATOM 1270 N GLN A 81 -1.570 -10.798 6.485 1.00 0.00 N ATOM 1271 CA GLN A 81 -2.458 -11.673 5.775 1.00 0.00 C ATOM 1272 C GLN A 81 -1.615 -12.682 5.062 1.00 0.00 C ATOM 1273 O GLN A 81 -1.702 -13.893 5.286 1.00 0.00 O ATOM 1274 CB GLN A 81 -3.253 -10.846 4.772 1.00 0.00 C ATOM 1275 CG GLN A 81 -4.373 -11.586 4.104 1.00 0.00 C ATOM 1276 CD GLN A 81 -5.361 -12.104 5.106 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -5.271 -13.233 5.568 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -6.228 -11.254 5.531 1.00 0.00 N ATOM 0 H GLN A 81 -1.120 -10.073 5.926 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.153 -12.176 6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.664 -9.975 5.283 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.572 -10.474 4.006 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.879 -10.925 3.400 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.968 -12.417 3.526 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.272 -10.321 5.120 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.871 -11.513 6.279 1.00 0.00 H new ATOM 1287 N ASP A 82 -0.787 -12.121 4.265 1.00 0.00 N ATOM 1288 CA ASP A 82 0.199 -12.708 3.426 1.00 0.00 C ATOM 1289 C ASP A 82 0.486 -11.527 2.510 1.00 0.00 C ATOM 1290 O ASP A 82 -0.299 -10.594 2.558 1.00 0.00 O ATOM 1291 CB ASP A 82 -0.293 -13.940 2.621 1.00 0.00 C ATOM 1292 CG ASP A 82 0.872 -14.727 2.020 1.00 0.00 C ATOM 1293 OD1 ASP A 82 1.573 -14.220 1.128 1.00 0.00 O ATOM 1294 OD2 ASP A 82 1.134 -15.868 2.465 1.00 0.00 O ATOM 0 H ASP A 82 -0.781 -11.105 4.171 1.00 0.00 H new ATOM 0 HA ASP A 82 1.048 -13.116 3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.874 -14.592 3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.959 -13.611 1.824 1.00 0.00 H new ATOM 1299 N ARG A 83 1.460 -11.586 1.639 1.00 0.00 N ATOM 1300 CA ARG A 83 2.015 -10.388 0.982 1.00 0.00 C ATOM 1301 C ARG A 83 2.840 -9.689 2.004 1.00 0.00 C ATOM 1302 O ARG A 83 2.356 -8.851 2.772 1.00 0.00 O ATOM 1303 CB ARG A 83 0.936 -9.431 0.345 1.00 0.00 C ATOM 1304 CG ARG A 83 1.435 -8.220 -0.474 1.00 0.00 C ATOM 1305 CD ARG A 83 1.956 -7.106 0.381 1.00 0.00 C ATOM 1306 NE ARG A 83 3.349 -6.777 0.081 1.00 0.00 N ATOM 1307 CZ ARG A 83 4.247 -6.420 0.994 1.00 0.00 C ATOM 1308 NH1 ARG A 83 4.034 -6.638 2.246 1.00 0.00 N ATOM 1309 NH2 ARG A 83 5.374 -5.882 0.642 1.00 0.00 N ATOM 0 H ARG A 83 1.904 -12.458 1.352 1.00 0.00 H new ATOM 0 HA ARG A 83 2.611 -10.699 0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.297 -10.032 -0.302 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.307 -9.053 1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.223 -8.548 -1.153 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.618 -7.845 -1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.337 -6.221 0.236 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.870 -7.387 1.431 1.00 0.00 H new ATOM 0 HE ARG A 83 3.651 -6.825 -0.892 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.169 -7.089 2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.730 -6.360 2.938 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.579 -5.728 -0.345 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.054 -5.613 1.353 1.00 0.00 H new ATOM 1323 N CYS A 84 4.064 -10.046 2.051 1.00 0.00 N ATOM 1324 CA CYS A 84 4.935 -9.525 3.026 1.00 0.00 C ATOM 1325 C CYS A 84 6.368 -9.564 2.511 1.00 0.00 C ATOM 1326 O CYS A 84 7.252 -10.177 3.103 1.00 0.00 O ATOM 1327 CB CYS A 84 4.708 -10.283 4.361 1.00 0.00 C ATOM 1328 SG CYS A 84 4.799 -12.083 4.248 1.00 0.00 S ATOM 0 H CYS A 84 4.493 -10.713 1.409 1.00 0.00 H new ATOM 0 HA CYS A 84 4.726 -8.475 3.229 1.00 0.00 H new ATOM 0 HB2 CYS A 84 5.449 -9.942 5.084 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.729 -10.009 4.754 1.00 0.00 H new ATOM 0 HG CYS A 84 4.596 -12.602 5.422 1.00 0.00 H new ATOM 1334 N ALA A 85 6.577 -8.916 1.355 1.00 0.00 N ATOM 1335 CA ALA A 85 7.882 -8.937 0.722 1.00 0.00 C ATOM 1336 C ALA A 85 8.509 -7.559 0.363 1.00 0.00 C ATOM 1337 O ALA A 85 9.548 -7.220 0.915 1.00 0.00 O ATOM 1338 CB ALA A 85 7.890 -9.913 -0.421 1.00 0.00 C ATOM 0 H ALA A 85 5.866 -8.383 0.855 1.00 0.00 H new ATOM 0 HA ALA A 85 8.567 -9.286 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.875 -9.919 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.659 -10.911 -0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.142 -9.618 -1.157 1.00 0.00 H new ATOM 1344 N GLU A 86 7.909 -6.742 -0.522 1.00 0.00 N ATOM 1345 CA GLU A 86 8.587 -5.496 -0.908 1.00 0.00 C ATOM 1346 C GLU A 86 7.618 -4.351 -0.887 1.00 0.00 C ATOM 1347 O GLU A 86 6.538 -4.448 -1.465 1.00 0.00 O ATOM 1348 CB GLU A 86 9.242 -5.622 -2.298 1.00 0.00 C ATOM 1349 CG GLU A 86 9.896 -4.335 -2.808 1.00 0.00 C ATOM 1350 CD GLU A 86 10.493 -4.478 -4.177 1.00 0.00 C ATOM 1351 OE1 GLU A 86 11.583 -5.062 -4.301 1.00 0.00 O ATOM 1352 OE2 GLU A 86 9.883 -3.998 -5.152 1.00 0.00 O ATOM 0 H GLU A 86 7.004 -6.909 -0.962 1.00 0.00 H new ATOM 0 HA GLU A 86 9.378 -5.303 -0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.996 -6.408 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.485 -5.940 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.152 -3.539 -2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.675 -4.029 -2.109 1.00 0.00 H new ATOM 1359 N VAL A 87 7.951 -3.330 -0.161 1.00 0.00 N ATOM 1360 CA VAL A 87 7.153 -2.148 -0.074 1.00 0.00 C ATOM 1361 C VAL A 87 7.938 -0.961 -0.611 1.00 0.00 C ATOM 1362 O VAL A 87 8.937 -0.561 -0.010 1.00 0.00 O ATOM 1363 CB VAL A 87 6.769 -1.859 1.402 1.00 0.00 C ATOM 1364 CG1 VAL A 87 6.067 -0.539 1.519 1.00 0.00 C ATOM 1365 CG2 VAL A 87 5.900 -2.958 1.976 1.00 0.00 C ATOM 0 H VAL A 87 8.803 -3.295 0.399 1.00 0.00 H new ATOM 0 HA VAL A 87 6.248 -2.300 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 87 7.694 -1.822 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.807 -0.356 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.724 0.255 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.159 -0.555 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.651 -2.722 3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.984 -3.040 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.439 -3.905 1.940 1.00 0.00 H new ATOM 1375 N THR A 88 7.538 -0.415 -1.738 1.00 0.00 N ATOM 1376 CA THR A 88 8.184 0.779 -2.192 1.00 0.00 C ATOM 1377 C THR A 88 7.220 1.900 -2.442 1.00 0.00 C ATOM 1378 O THR A 88 6.160 1.743 -3.136 1.00 0.00 O ATOM 1379 CB THR A 88 9.119 0.606 -3.365 1.00 0.00 C ATOM 1380 OG1 THR A 88 8.458 -0.057 -4.461 1.00 0.00 O ATOM 1381 CG2 THR A 88 10.363 -0.145 -2.966 1.00 0.00 C ATOM 0 H THR A 88 6.792 -0.770 -2.335 1.00 0.00 H new ATOM 0 HA THR A 88 8.822 1.049 -1.351 1.00 0.00 H new ATOM 0 HB THR A 88 9.416 1.601 -3.697 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.525 -0.237 -4.220 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.016 -0.253 -3.832 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.886 0.406 -2.184 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.088 -1.132 -2.593 1.00 0.00 H new ATOM 1389 N LEU A 89 7.567 3.006 -1.855 1.00 0.00 N ATOM 1390 CA LEU A 89 6.807 4.196 -1.851 1.00 0.00 C ATOM 1391 C LEU A 89 7.637 5.357 -2.249 1.00 0.00 C ATOM 1392 O LEU A 89 8.868 5.354 -2.145 1.00 0.00 O ATOM 1393 CB LEU A 89 6.120 4.446 -0.507 1.00 0.00 C ATOM 1394 CG LEU A 89 4.782 3.840 -0.292 1.00 0.00 C ATOM 1395 CD1 LEU A 89 3.891 4.393 -1.320 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.815 2.324 -0.347 1.00 0.00 C ATOM 0 H LEU A 89 8.442 3.095 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 89 6.016 4.069 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.782 4.085 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.025 5.524 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 89 4.423 4.083 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.892 3.973 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.844 5.477 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.274 4.140 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.811 1.932 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.175 2.003 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.482 1.946 0.428 1.00 0.00 H new