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 Single : A 16 LYS NZ :NH3+ -118:sc= 0.17 (180deg=-0.161) USER MOD Single : A 17 THR OG1 : rot -25:sc= 1.12 USER MOD Single : A 19 MET CE :methyl -164:sc= -0.0327 (180deg=-0.366) USER MOD Single : A 20 MET CE :methyl -112:sc= -6.18! (180deg=-8.04!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -170:sc=-0.00274 USER MOD Single : A 27 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.52) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0566 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 158:sc= -3.89! USER MOD Single : A 37 THR OG1 : rot -72:sc= 1.28 USER MOD Single : A 38 SER OG : rot 81:sc= 0.381 USER MOD Single : A 41 GLN : amide:sc= 0.543 K(o=0.54,f=-0.13) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.0903 X(o=-0.09,f=-0.0021) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.42) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0438 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -45:sc= 0.229 USER MOD Single : A 70 TYR OH : rot -118:sc= 1.27 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.31) USER MOD Single : A 84 CYS SG : rot -148:sc= 1.05 USER MOD Single : A 88 THR OG1 : rot 13:sc= 0.412 USER MOD ----------------------------------------------------------------- ATOM 233 N LYS A 16 -0.199 14.256 0.918 1.00 0.00 N ATOM 234 CA LYS A 16 0.687 13.690 -0.087 1.00 0.00 C ATOM 235 C LYS A 16 0.180 12.336 -0.594 1.00 0.00 C ATOM 236 O LYS A 16 0.134 11.360 0.150 1.00 0.00 O ATOM 237 CB LYS A 16 2.117 13.544 0.449 1.00 0.00 C ATOM 238 CG LYS A 16 3.135 13.147 -0.620 1.00 0.00 C ATOM 239 CD LYS A 16 3.247 14.234 -1.685 1.00 0.00 C ATOM 240 CE LYS A 16 4.184 13.846 -2.820 1.00 0.00 C ATOM 241 NZ LYS A 16 3.698 12.670 -3.570 1.00 0.00 N ATOM 0 HA LYS A 16 0.696 14.387 -0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.425 14.488 0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.124 12.795 1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.108 12.981 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.836 12.206 -1.083 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.257 14.443 -2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.603 15.155 -1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.294 14.689 -3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.173 13.633 -2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.386 11.895 -3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.783 12.365 -3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.582 12.921 -4.573 1.00 0.00 H new ATOM 255 N THR A 17 -0.211 12.303 -1.843 1.00 0.00 N ATOM 256 CA THR A 17 -0.630 11.094 -2.508 1.00 0.00 C ATOM 257 C THR A 17 0.586 10.132 -2.627 1.00 0.00 C ATOM 258 O THR A 17 1.663 10.529 -3.111 1.00 0.00 O ATOM 259 CB THR A 17 -1.202 11.479 -3.907 1.00 0.00 C ATOM 260 OG1 THR A 17 -2.326 12.377 -3.729 1.00 0.00 O ATOM 261 CG2 THR A 17 -1.644 10.273 -4.736 1.00 0.00 C ATOM 0 H THR A 17 -0.248 13.131 -2.438 1.00 0.00 H new ATOM 0 HA THR A 17 -1.408 10.580 -1.943 1.00 0.00 H new ATOM 0 HB THR A 17 -0.395 11.960 -4.459 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.727 12.228 -2.847 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.031 10.614 -5.696 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.792 9.613 -4.902 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.424 9.731 -4.202 1.00 0.00 H new ATOM 269 N LEU A 18 0.425 8.906 -2.135 1.00 0.00 N ATOM 270 CA LEU A 18 1.500 7.923 -2.130 1.00 0.00 C ATOM 271 C LEU A 18 0.992 6.665 -2.847 1.00 0.00 C ATOM 272 O LEU A 18 0.088 5.972 -2.364 1.00 0.00 O ATOM 273 CB LEU A 18 1.874 7.583 -0.669 1.00 0.00 C ATOM 274 CG LEU A 18 3.345 7.198 -0.281 1.00 0.00 C ATOM 275 CD1 LEU A 18 3.990 6.037 -1.035 1.00 0.00 C ATOM 276 CD2 LEU A 18 4.270 8.399 -0.170 1.00 0.00 C ATOM 0 H LEU A 18 -0.449 8.570 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 18 2.383 8.313 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.598 8.444 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.235 6.756 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 18 3.205 6.786 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.004 5.881 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.404 5.131 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.024 6.268 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.271 8.063 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.308 8.919 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.895 9.077 0.596 1.00 0.00 H new ATOM 288 N MET A 19 1.507 6.433 -4.006 1.00 0.00 N ATOM 289 CA MET A 19 1.185 5.241 -4.794 1.00 0.00 C ATOM 290 C MET A 19 2.248 4.197 -4.562 1.00 0.00 C ATOM 291 O MET A 19 3.361 4.294 -5.088 1.00 0.00 O ATOM 292 CB MET A 19 1.033 5.558 -6.309 1.00 0.00 C ATOM 293 CG MET A 19 2.197 6.298 -6.947 1.00 0.00 C ATOM 294 SD MET A 19 1.990 6.602 -8.717 1.00 0.00 S ATOM 295 CE MET A 19 2.027 4.931 -9.368 1.00 0.00 C ATOM 0 H MET A 19 2.174 7.059 -4.458 1.00 0.00 H new ATOM 0 HA MET A 19 0.218 4.861 -4.464 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.885 4.620 -6.845 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.129 6.151 -6.449 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.331 7.252 -6.438 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.110 5.723 -6.791 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.196 4.963 -10.444 1.00 0.00 H new ATOM 0 HE2 MET A 19 2.832 4.372 -8.891 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.075 4.440 -9.165 1.00 0.00 H new ATOM 305 N MET A 20 1.962 3.212 -3.772 1.00 0.00 N ATOM 306 CA MET A 20 3.034 2.327 -3.430 1.00 0.00 C ATOM 307 C MET A 20 2.830 0.918 -3.966 1.00 0.00 C ATOM 308 O MET A 20 1.708 0.329 -3.854 1.00 0.00 O ATOM 309 CB MET A 20 3.302 2.397 -1.945 1.00 0.00 C ATOM 310 CG MET A 20 2.387 1.608 -1.104 1.00 0.00 C ATOM 311 SD MET A 20 2.321 2.244 0.534 1.00 0.00 S ATOM 312 CE MET A 20 1.492 3.768 0.187 1.00 0.00 C ATOM 0 H MET A 20 1.049 3.004 -3.369 1.00 0.00 H new ATOM 0 HA MET A 20 3.940 2.663 -3.933 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.322 2.059 -1.760 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.250 3.440 -1.632 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.388 1.617 -1.541 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.715 0.569 -1.081 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.175 4.601 0.357 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.163 3.775 -0.852 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.627 3.869 0.842 1.00 0.00 H new ATOM 322 N PHE A 21 3.938 0.412 -4.526 1.00 0.00 N ATOM 323 CA PHE A 21 4.080 -0.839 -5.243 1.00 0.00 C ATOM 324 C PHE A 21 4.625 -1.873 -4.267 1.00 0.00 C ATOM 325 O PHE A 21 5.717 -1.722 -3.713 1.00 0.00 O ATOM 326 CB PHE A 21 5.065 -0.538 -6.411 1.00 0.00 C ATOM 327 CG PHE A 21 5.599 -1.663 -7.273 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.512 -2.576 -6.768 1.00 0.00 C ATOM 329 CD2 PHE A 21 5.250 -1.752 -8.620 1.00 0.00 C ATOM 330 CE1 PHE A 21 7.055 -3.554 -7.565 1.00 0.00 C ATOM 331 CE2 PHE A 21 5.791 -2.744 -9.424 1.00 0.00 C ATOM 332 CZ PHE A 21 6.692 -3.641 -8.892 1.00 0.00 C ATOM 0 H PHE A 21 4.823 0.917 -4.479 1.00 0.00 H new ATOM 0 HA PHE A 21 3.147 -1.234 -5.646 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.570 0.170 -7.076 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.926 -0.024 -5.982 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.801 -2.517 -5.729 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.553 -1.043 -9.041 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.766 -4.254 -7.152 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.507 -2.813 -10.464 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.115 -4.414 -9.516 1.00 0.00 H new ATOM 342 N VAL A 22 3.877 -2.889 -4.046 1.00 0.00 N ATOM 343 CA VAL A 22 4.190 -3.855 -3.023 1.00 0.00 C ATOM 344 C VAL A 22 4.320 -5.287 -3.572 1.00 0.00 C ATOM 345 O VAL A 22 3.421 -5.803 -4.274 1.00 0.00 O ATOM 346 CB VAL A 22 3.200 -3.673 -1.802 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.865 -3.135 -2.298 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.980 -4.962 -0.991 1.00 0.00 C ATOM 0 H VAL A 22 3.022 -3.089 -4.565 1.00 0.00 H new ATOM 0 HA VAL A 22 5.190 -3.663 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 22 3.669 -2.960 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.186 -3.011 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.019 -2.172 -2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.432 -3.836 -3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.291 -4.762 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.560 -5.732 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.933 -5.306 -0.589 1.00 0.00 H new ATOM 358 N THR A 23 5.486 -5.867 -3.287 1.00 0.00 N ATOM 359 CA THR A 23 5.899 -7.160 -3.708 1.00 0.00 C ATOM 360 C THR A 23 5.456 -8.306 -2.676 1.00 0.00 C ATOM 361 O THR A 23 5.861 -8.268 -1.476 1.00 0.00 O ATOM 362 CB THR A 23 7.445 -7.164 -3.850 1.00 0.00 C ATOM 363 OG1 THR A 23 7.827 -6.224 -4.869 1.00 0.00 O ATOM 364 CG2 THR A 23 7.967 -8.545 -4.210 1.00 0.00 C ATOM 0 H THR A 23 6.194 -5.399 -2.721 1.00 0.00 H new ATOM 0 HA THR A 23 5.417 -7.377 -4.661 1.00 0.00 H new ATOM 0 HB THR A 23 7.879 -6.881 -2.891 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.803 -6.221 -4.962 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.053 -8.511 -4.301 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.691 -9.253 -3.429 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.533 -8.862 -5.158 1.00 0.00 H new ATOM 372 N VAL A 24 4.653 -9.314 -3.163 1.00 0.00 N ATOM 373 CA VAL A 24 4.120 -10.445 -2.440 1.00 0.00 C ATOM 374 C VAL A 24 4.879 -11.688 -3.028 1.00 0.00 C ATOM 375 O VAL A 24 4.963 -11.774 -4.237 1.00 0.00 O ATOM 376 CB VAL A 24 2.629 -10.457 -2.868 1.00 0.00 C ATOM 377 CG1 VAL A 24 1.866 -11.650 -2.444 1.00 0.00 C ATOM 378 CG2 VAL A 24 1.963 -9.202 -2.395 1.00 0.00 C ATOM 0 H VAL A 24 4.363 -9.324 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 24 4.223 -10.430 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 24 2.629 -10.505 -3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.836 -11.565 -2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.320 -12.544 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.878 -11.722 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.915 -9.210 -2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.028 -9.143 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.460 -8.338 -2.836 1.00 0.00 H new ATOM 388 N SER A 25 5.477 -12.626 -2.239 1.00 0.00 N ATOM 389 CA SER A 25 6.352 -13.600 -2.897 1.00 0.00 C ATOM 390 C SER A 25 5.973 -15.083 -2.711 1.00 0.00 C ATOM 391 O SER A 25 6.634 -15.944 -3.286 1.00 0.00 O ATOM 392 CB SER A 25 7.783 -13.352 -2.469 1.00 0.00 C ATOM 393 OG SER A 25 8.067 -11.961 -2.560 1.00 0.00 O ATOM 0 H SER A 25 5.374 -12.717 -1.228 1.00 0.00 H new ATOM 0 HA SER A 25 6.224 -13.433 -3.966 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.934 -13.700 -1.447 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.467 -13.917 -3.102 1.00 0.00 H new ATOM 0 HG SER A 25 9.028 -11.815 -2.438 1.00 0.00 H new ATOM 399 N GLY A 26 4.963 -15.377 -1.878 1.00 0.00 N ATOM 400 CA GLY A 26 4.459 -16.756 -1.736 1.00 0.00 C ATOM 401 C GLY A 26 4.219 -17.447 -3.092 1.00 0.00 C ATOM 402 O GLY A 26 4.600 -18.603 -3.270 1.00 0.00 O ATOM 0 H GLY A 26 4.483 -14.689 -1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.173 -17.341 -1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.527 -16.741 -1.171 1.00 0.00 H new ATOM 406 N ASN A 27 3.599 -16.750 -4.042 1.00 0.00 N ATOM 407 CA ASN A 27 3.468 -17.264 -5.394 1.00 0.00 C ATOM 408 C ASN A 27 4.419 -16.519 -6.306 1.00 0.00 C ATOM 409 O ASN A 27 4.836 -15.402 -5.982 1.00 0.00 O ATOM 410 CB ASN A 27 2.032 -17.140 -5.951 1.00 0.00 C ATOM 411 CG ASN A 27 1.073 -18.198 -5.448 1.00 0.00 C ATOM 412 OD1 ASN A 27 1.166 -18.674 -4.320 1.00 0.00 O ATOM 413 ND2 ASN A 27 0.159 -18.601 -6.302 1.00 0.00 N ATOM 0 H ASN A 27 3.182 -15.831 -3.896 1.00 0.00 H new ATOM 0 HA ASN A 27 3.710 -18.326 -5.357 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.638 -16.157 -5.692 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.072 -17.191 -7.039 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.502 -19.331 -6.035 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.110 -18.184 -7.231 1.00 0.00 H new ATOM 420 N PRO A 28 4.842 -17.142 -7.409 1.00 0.00 N ATOM 421 CA PRO A 28 5.666 -16.516 -8.426 1.00 0.00 C ATOM 422 C PRO A 28 4.868 -16.320 -9.740 1.00 0.00 C ATOM 423 O PRO A 28 5.419 -16.472 -10.843 1.00 0.00 O ATOM 424 CB PRO A 28 6.710 -17.622 -8.633 1.00 0.00 C ATOM 425 CG PRO A 28 5.953 -18.917 -8.429 1.00 0.00 C ATOM 426 CD PRO A 28 4.657 -18.564 -7.722 1.00 0.00 C ATOM 0 HA PRO A 28 6.052 -15.533 -8.156 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.145 -17.572 -9.631 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.531 -17.528 -7.922 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.752 -19.401 -9.385 1.00 0.00 H new ATOM 0 HG3 PRO A 28 6.539 -19.617 -7.834 1.00 0.00 H new ATOM 0 HD2 PRO A 28 3.789 -18.729 -8.360 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.510 -19.162 -6.822 1.00 0.00 H new ATOM 434 N THR A 29 3.607 -15.918 -9.641 1.00 0.00 N ATOM 435 CA THR A 29 2.735 -15.949 -10.808 1.00 0.00 C ATOM 436 C THR A 29 1.960 -14.630 -11.008 1.00 0.00 C ATOM 437 O THR A 29 2.506 -13.659 -11.526 1.00 0.00 O ATOM 438 CB THR A 29 1.756 -17.137 -10.678 1.00 0.00 C ATOM 439 OG1 THR A 29 1.210 -17.132 -9.325 1.00 0.00 O ATOM 440 CG2 THR A 29 2.454 -18.469 -10.944 1.00 0.00 C ATOM 0 H THR A 29 3.172 -15.574 -8.785 1.00 0.00 H new ATOM 0 HA THR A 29 3.363 -16.074 -11.690 1.00 0.00 H new ATOM 0 HB THR A 29 0.963 -17.027 -11.418 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.584 -17.879 -9.222 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.736 -19.283 -10.844 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.864 -18.469 -11.954 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.261 -18.607 -10.224 1.00 0.00 H new ATOM 448 N GLU A 30 0.682 -14.680 -10.679 1.00 0.00 N ATOM 449 CA GLU A 30 -0.230 -13.565 -10.570 1.00 0.00 C ATOM 450 C GLU A 30 -1.489 -14.092 -9.854 1.00 0.00 C ATOM 451 O GLU A 30 -2.544 -13.448 -9.804 1.00 0.00 O ATOM 452 CB GLU A 30 -0.571 -12.962 -11.957 1.00 0.00 C ATOM 453 CG GLU A 30 -1.283 -11.611 -11.882 1.00 0.00 C ATOM 454 CD GLU A 30 -1.495 -10.967 -13.226 1.00 0.00 C ATOM 455 OE1 GLU A 30 -0.507 -10.472 -13.822 1.00 0.00 O ATOM 456 OE2 GLU A 30 -2.642 -10.915 -13.714 1.00 0.00 O ATOM 0 H GLU A 30 0.225 -15.567 -10.466 1.00 0.00 H new ATOM 0 HA GLU A 30 0.225 -12.752 -10.003 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.350 -12.846 -12.529 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.200 -13.664 -12.504 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.249 -11.745 -11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.701 -10.937 -11.253 1.00 0.00 H new ATOM 463 N LYS A 31 -1.344 -15.254 -9.234 1.00 0.00 N ATOM 464 CA LYS A 31 -2.459 -15.927 -8.616 1.00 0.00 C ATOM 465 C LYS A 31 -2.632 -15.416 -7.200 1.00 0.00 C ATOM 466 O LYS A 31 -3.771 -15.297 -6.678 1.00 0.00 O ATOM 467 CB LYS A 31 -2.265 -17.471 -8.671 1.00 0.00 C ATOM 468 CG LYS A 31 -3.493 -18.297 -8.252 1.00 0.00 C ATOM 469 CD LYS A 31 -3.678 -18.359 -6.743 1.00 0.00 C ATOM 470 CE LYS A 31 -5.090 -18.761 -6.380 1.00 0.00 C ATOM 471 NZ LYS A 31 -5.253 -18.903 -4.923 1.00 0.00 N ATOM 0 H LYS A 31 -0.455 -15.747 -9.150 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.375 -15.708 -9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.987 -17.751 -9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.428 -17.740 -8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.386 -17.866 -8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.394 -19.310 -8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.973 -19.073 -6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.450 -17.387 -6.306 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.790 -18.014 -6.754 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.338 -19.703 -6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.232 -19.179 -4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.602 -19.633 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.040 -17.997 -4.460 1.00 0.00 H new ATOM 485 N GLU A 32 -1.546 -15.053 -6.590 1.00 0.00 N ATOM 486 CA GLU A 32 -1.629 -14.540 -5.272 1.00 0.00 C ATOM 487 C GLU A 32 -2.214 -13.155 -5.446 1.00 0.00 C ATOM 488 O GLU A 32 -3.155 -12.798 -4.782 1.00 0.00 O ATOM 489 CB GLU A 32 -0.250 -14.542 -4.578 1.00 0.00 C ATOM 490 CG GLU A 32 -0.299 -14.364 -3.069 1.00 0.00 C ATOM 491 CD GLU A 32 -1.038 -15.512 -2.409 1.00 0.00 C ATOM 492 OE1 GLU A 32 -2.269 -15.486 -2.330 1.00 0.00 O ATOM 493 OE2 GLU A 32 -0.389 -16.478 -1.963 1.00 0.00 O ATOM 0 H GLU A 32 -0.606 -15.104 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.252 -15.148 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.254 -15.482 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.358 -13.744 -5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.715 -14.304 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.792 -13.422 -2.826 1.00 0.00 H new ATOM 500 N THR A 33 -1.678 -12.446 -6.436 1.00 0.00 N ATOM 501 CA THR A 33 -2.243 -11.202 -6.951 1.00 0.00 C ATOM 502 C THR A 33 -3.753 -11.285 -7.141 1.00 0.00 C ATOM 503 O THR A 33 -4.433 -10.444 -6.672 1.00 0.00 O ATOM 504 CB THR A 33 -1.614 -10.813 -8.295 1.00 0.00 C ATOM 505 OG1 THR A 33 -0.277 -10.563 -8.079 1.00 0.00 O ATOM 506 CG2 THR A 33 -2.237 -9.554 -8.859 1.00 0.00 C ATOM 0 H THR A 33 -0.821 -12.726 -6.913 1.00 0.00 H new ATOM 0 HA THR A 33 -2.018 -10.445 -6.200 1.00 0.00 H new ATOM 0 HB THR A 33 -1.774 -11.627 -9.002 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.214 -10.657 -8.922 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.766 -9.310 -9.811 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.304 -9.713 -9.013 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.090 -8.731 -8.160 1.00 0.00 H new ATOM 514 N GLU A 34 -4.275 -12.299 -7.826 1.00 0.00 N ATOM 515 CA GLU A 34 -5.726 -12.364 -8.051 1.00 0.00 C ATOM 516 C GLU A 34 -6.514 -12.503 -6.745 1.00 0.00 C ATOM 517 O GLU A 34 -7.397 -11.670 -6.467 1.00 0.00 O ATOM 518 CB GLU A 34 -6.116 -13.420 -9.089 1.00 0.00 C ATOM 519 CG GLU A 34 -5.784 -14.846 -8.718 1.00 0.00 C ATOM 520 CD GLU A 34 -6.047 -15.808 -9.831 1.00 0.00 C ATOM 521 OE1 GLU A 34 -5.300 -15.797 -10.824 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.987 -16.605 -9.737 1.00 0.00 O ATOM 0 H GLU A 34 -3.738 -13.068 -8.227 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.011 -11.403 -8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.189 -13.350 -9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.619 -13.182 -10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.734 -14.907 -8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.370 -15.136 -7.846 1.00 0.00 H new ATOM 529 N GLU A 35 -6.136 -13.502 -5.923 1.00 0.00 N ATOM 530 CA GLU A 35 -6.778 -13.751 -4.598 1.00 0.00 C ATOM 531 C GLU A 35 -6.734 -12.441 -3.796 1.00 0.00 C ATOM 532 O GLU A 35 -7.769 -11.811 -3.439 1.00 0.00 O ATOM 533 CB GLU A 35 -5.912 -14.816 -3.826 1.00 0.00 C ATOM 534 CG GLU A 35 -6.371 -15.126 -2.408 1.00 0.00 C ATOM 535 CD GLU A 35 -7.677 -15.856 -2.351 1.00 0.00 C ATOM 536 OE1 GLU A 35 -8.737 -15.220 -2.310 1.00 0.00 O ATOM 537 OE2 GLU A 35 -7.656 -17.103 -2.323 1.00 0.00 O ATOM 0 H GLU A 35 -5.387 -14.157 -6.147 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.803 -14.100 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.910 -15.743 -4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.882 -14.463 -3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.608 -15.723 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.460 -14.193 -1.851 1.00 0.00 H new ATOM 544 N ILE A 36 -5.534 -12.032 -3.606 1.00 0.00 N ATOM 545 CA ILE A 36 -5.182 -10.908 -2.862 1.00 0.00 C ATOM 546 C ILE A 36 -5.784 -9.610 -3.425 1.00 0.00 C ATOM 547 O ILE A 36 -6.362 -8.916 -2.692 1.00 0.00 O ATOM 548 CB ILE A 36 -3.653 -10.887 -2.706 1.00 0.00 C ATOM 549 CG1 ILE A 36 -3.114 -11.494 -1.395 1.00 0.00 C ATOM 550 CG2 ILE A 36 -2.970 -9.629 -3.087 1.00 0.00 C ATOM 551 CD1 ILE A 36 -1.623 -11.726 -1.486 1.00 0.00 C ATOM 0 H ILE A 36 -4.726 -12.516 -3.998 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.619 -10.972 -1.866 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.361 -11.589 -3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.333 -10.826 -0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.622 -12.436 -1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.896 -9.737 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.166 -9.412 -4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.344 -8.811 -2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.264 -12.155 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.411 -12.413 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.118 -10.778 -1.668 1.00 0.00 H new ATOM 563 N THR A 37 -5.753 -9.345 -4.744 1.00 0.00 N ATOM 564 CA THR A 37 -6.266 -8.056 -5.230 1.00 0.00 C ATOM 565 C THR A 37 -7.740 -7.977 -5.065 1.00 0.00 C ATOM 566 O THR A 37 -8.269 -6.894 -4.768 1.00 0.00 O ATOM 567 CB THR A 37 -5.900 -7.673 -6.695 1.00 0.00 C ATOM 568 OG1 THR A 37 -6.147 -8.758 -7.592 1.00 0.00 O ATOM 569 CG2 THR A 37 -4.469 -7.177 -6.832 1.00 0.00 C ATOM 0 H THR A 37 -5.395 -9.975 -5.462 1.00 0.00 H new ATOM 0 HA THR A 37 -5.752 -7.328 -4.602 1.00 0.00 H new ATOM 0 HB THR A 37 -6.552 -6.843 -6.967 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.472 -9.455 -7.456 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.269 -6.925 -7.873 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.330 -6.292 -6.211 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.781 -7.958 -6.510 1.00 0.00 H new ATOM 577 N SER A 38 -8.414 -9.117 -5.227 1.00 0.00 N ATOM 578 CA SER A 38 -9.807 -9.134 -5.028 1.00 0.00 C ATOM 579 C SER A 38 -10.130 -8.784 -3.561 1.00 0.00 C ATOM 580 O SER A 38 -10.838 -7.793 -3.312 1.00 0.00 O ATOM 581 CB SER A 38 -10.449 -10.447 -5.551 1.00 0.00 C ATOM 582 OG SER A 38 -10.155 -10.614 -6.948 1.00 0.00 O ATOM 0 H SER A 38 -7.999 -10.010 -5.491 1.00 0.00 H new ATOM 0 HA SER A 38 -10.276 -8.358 -5.633 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.068 -11.298 -4.986 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.528 -10.420 -5.398 1.00 0.00 H new ATOM 0 HG SER A 38 -9.254 -10.984 -7.051 1.00 0.00 H new ATOM 588 N LEU A 39 -9.491 -9.467 -2.582 1.00 0.00 N ATOM 589 CA LEU A 39 -9.790 -9.157 -1.194 1.00 0.00 C ATOM 590 C LEU A 39 -9.221 -7.818 -0.795 1.00 0.00 C ATOM 591 O LEU A 39 -9.902 -7.022 -0.144 1.00 0.00 O ATOM 592 CB LEU A 39 -9.341 -10.237 -0.202 1.00 0.00 C ATOM 593 CG LEU A 39 -10.212 -11.492 -0.092 1.00 0.00 C ATOM 594 CD1 LEU A 39 -10.140 -12.346 -1.338 1.00 0.00 C ATOM 595 CD2 LEU A 39 -9.834 -12.282 1.140 1.00 0.00 C ATOM 0 H LEU A 39 -8.799 -10.201 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.878 -9.120 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.333 -10.548 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.277 -9.782 0.787 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.249 -11.171 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.773 -13.224 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.485 -11.768 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.110 -12.662 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.460 -13.172 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.787 -12.579 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.982 -11.666 2.027 1.00 0.00 H new ATOM 607 N TRP A 40 -8.001 -7.565 -1.211 1.00 0.00 N ATOM 608 CA TRP A 40 -7.300 -6.348 -0.909 1.00 0.00 C ATOM 609 C TRP A 40 -8.003 -5.159 -1.487 1.00 0.00 C ATOM 610 O TRP A 40 -8.743 -4.509 -0.770 1.00 0.00 O ATOM 611 CB TRP A 40 -5.817 -6.381 -1.339 1.00 0.00 C ATOM 612 CG TRP A 40 -4.947 -7.334 -0.539 1.00 0.00 C ATOM 613 CD1 TRP A 40 -5.354 -8.255 0.394 1.00 0.00 C ATOM 614 CD2 TRP A 40 -3.517 -7.448 -0.609 1.00 0.00 C ATOM 615 NE1 TRP A 40 -4.269 -8.904 0.922 1.00 0.00 N ATOM 616 CE2 TRP A 40 -3.129 -8.430 0.327 1.00 0.00 C ATOM 617 CE3 TRP A 40 -2.527 -6.810 -1.364 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -1.790 -8.782 0.531 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -1.201 -7.162 -1.158 1.00 0.00 C ATOM 620 CH2 TRP A 40 -0.841 -8.138 -0.217 1.00 0.00 C ATOM 0 H TRP A 40 -7.461 -8.216 -1.781 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.303 -6.256 0.177 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.764 -6.659 -2.392 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.405 -5.375 -1.253 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.381 -8.441 0.672 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.304 -9.625 1.643 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.790 -6.058 -2.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.515 -9.536 1.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.429 -6.674 -1.735 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.201 -8.385 -0.080 1.00 0.00 H new ATOM 631 N GLN A 41 -7.894 -4.919 -2.800 1.00 0.00 N ATOM 632 CA GLN A 41 -8.433 -3.682 -3.327 1.00 0.00 C ATOM 633 C GLN A 41 -9.958 -3.682 -3.336 1.00 0.00 C ATOM 634 O GLN A 41 -10.584 -2.595 -3.326 1.00 0.00 O ATOM 635 CB GLN A 41 -7.743 -3.168 -4.649 1.00 0.00 C ATOM 636 CG GLN A 41 -8.166 -3.784 -5.984 1.00 0.00 C ATOM 637 CD GLN A 41 -9.264 -2.961 -6.665 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.451 -3.188 -6.452 1.00 0.00 O ATOM 639 NE2 GLN A 41 -8.867 -1.983 -7.474 1.00 0.00 N ATOM 0 H GLN A 41 -7.457 -5.540 -3.481 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.152 -2.903 -2.618 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.910 -2.093 -4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.669 -3.318 -4.541 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.301 -3.853 -6.643 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.523 -4.801 -5.819 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.872 -1.822 -7.629 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.558 -1.394 -7.940 1.00 0.00 H new ATOM 648 N GLY A 42 -10.561 -4.891 -3.270 1.00 0.00 N ATOM 649 CA GLY A 42 -11.979 -4.993 -3.098 1.00 0.00 C ATOM 650 C GLY A 42 -12.392 -4.368 -1.794 1.00 0.00 C ATOM 651 O GLY A 42 -13.233 -3.477 -1.768 1.00 0.00 O ATOM 0 H GLY A 42 -10.072 -5.784 -3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.489 -4.498 -3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.280 -6.040 -3.119 1.00 0.00 H new ATOM 655 N SER A 43 -11.742 -4.777 -0.715 1.00 0.00 N ATOM 656 CA SER A 43 -12.032 -4.244 0.596 1.00 0.00 C ATOM 657 C SER A 43 -11.499 -2.802 0.705 1.00 0.00 C ATOM 658 O SER A 43 -12.033 -1.987 1.470 1.00 0.00 O ATOM 659 CB SER A 43 -11.447 -5.161 1.680 1.00 0.00 C ATOM 660 OG SER A 43 -11.788 -4.742 2.996 1.00 0.00 O ATOM 0 H SER A 43 -11.005 -5.482 -0.728 1.00 0.00 H new ATOM 0 HA SER A 43 -13.111 -4.209 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.806 -6.178 1.522 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.362 -5.187 1.581 1.00 0.00 H new ATOM 0 HG SER A 43 -11.394 -5.358 3.648 1.00 0.00 H new ATOM 666 N LEU A 44 -10.476 -2.477 -0.099 1.00 0.00 N ATOM 667 CA LEU A 44 -9.933 -1.126 -0.138 1.00 0.00 C ATOM 668 C LEU A 44 -10.997 -0.142 -0.626 1.00 0.00 C ATOM 669 O LEU A 44 -11.068 0.999 -0.155 1.00 0.00 O ATOM 670 CB LEU A 44 -8.614 -1.021 -0.976 1.00 0.00 C ATOM 671 CG LEU A 44 -7.470 -1.953 -0.581 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.122 -1.620 -1.317 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.344 -1.986 0.927 1.00 0.00 C ATOM 0 H LEU A 44 -10.014 -3.135 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.654 -0.859 0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.860 -1.209 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.253 0.005 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.712 -2.960 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.349 -2.317 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.264 -1.710 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.817 -0.602 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.528 -2.651 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.138 -0.982 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.275 -2.349 1.362 1.00 0.00 H new ATOM 685 N PHE A 45 -11.856 -0.600 -1.541 1.00 0.00 N ATOM 686 CA PHE A 45 -12.960 0.230 -1.995 1.00 0.00 C ATOM 687 C PHE A 45 -14.198 -0.028 -1.129 1.00 0.00 C ATOM 688 O PHE A 45 -15.057 0.831 -0.982 1.00 0.00 O ATOM 689 CB PHE A 45 -13.265 -0.049 -3.466 1.00 0.00 C ATOM 690 CG PHE A 45 -14.320 0.839 -4.072 1.00 0.00 C ATOM 691 CD1 PHE A 45 -14.060 2.179 -4.305 1.00 0.00 C ATOM 692 CD2 PHE A 45 -15.567 0.337 -4.403 1.00 0.00 C ATOM 693 CE1 PHE A 45 -15.022 3.000 -4.858 1.00 0.00 C ATOM 694 CE2 PHE A 45 -16.532 1.154 -4.956 1.00 0.00 C ATOM 695 CZ PHE A 45 -16.259 2.488 -5.183 1.00 0.00 C ATOM 0 H PHE A 45 -11.806 -1.523 -1.971 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.678 1.278 -1.898 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -12.345 0.060 -4.040 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.582 -1.087 -3.566 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -13.093 2.587 -4.051 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -15.787 -0.706 -4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.805 4.043 -5.036 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -17.500 0.750 -5.211 1.00 0.00 H new ATOM 0 HZ PHE A 45 -17.014 3.129 -5.614 1.00 0.00 H new ATOM 705 N ASN A 46 -14.254 -1.207 -0.525 1.00 0.00 N ATOM 706 CA ASN A 46 -15.393 -1.622 0.313 1.00 0.00 C ATOM 707 C ASN A 46 -15.488 -0.788 1.591 1.00 0.00 C ATOM 708 O ASN A 46 -16.575 -0.533 2.088 1.00 0.00 O ATOM 709 CB ASN A 46 -15.339 -3.148 0.615 1.00 0.00 C ATOM 710 CG ASN A 46 -16.485 -3.654 1.479 1.00 0.00 C ATOM 711 OD1 ASN A 46 -17.544 -4.021 0.970 1.00 0.00 O ATOM 712 ND2 ASN A 46 -16.267 -3.742 2.762 1.00 0.00 N ATOM 0 H ASN A 46 -13.517 -1.909 -0.596 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.306 -1.434 -0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.342 -3.694 -0.328 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.396 -3.375 1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -16.986 -4.124 3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -15.378 -3.428 3.151 1.00 0.00 H new ATOM 719 N ALA A 47 -14.349 -0.342 2.108 1.00 0.00 N ATOM 720 CA ALA A 47 -14.337 0.531 3.277 1.00 0.00 C ATOM 721 C ALA A 47 -14.188 1.979 2.831 1.00 0.00 C ATOM 722 O ALA A 47 -14.046 2.894 3.654 1.00 0.00 O ATOM 723 CB ALA A 47 -13.214 0.140 4.212 1.00 0.00 C ATOM 0 H ALA A 47 -13.426 -0.569 1.739 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.279 0.424 3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.217 0.800 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.355 -0.890 4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.260 0.229 3.692 1.00 0.00 H new ATOM 729 N ASN A 48 -14.211 2.140 1.509 1.00 0.00 N ATOM 730 CA ASN A 48 -14.125 3.408 0.785 1.00 0.00 C ATOM 731 C ASN A 48 -12.995 4.323 1.307 1.00 0.00 C ATOM 732 O ASN A 48 -13.250 5.435 1.767 1.00 0.00 O ATOM 733 CB ASN A 48 -15.497 4.143 0.797 1.00 0.00 C ATOM 734 CG ASN A 48 -15.580 5.273 -0.242 1.00 0.00 C ATOM 735 OD1 ASN A 48 -15.906 5.026 -1.411 1.00 0.00 O ATOM 736 ND2 ASN A 48 -15.336 6.495 0.163 1.00 0.00 N ATOM 0 H ASN A 48 -14.295 1.343 0.878 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.869 3.166 -0.246 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.291 3.422 0.606 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.673 4.556 1.790 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.413 7.274 -0.491 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.069 6.667 1.132 1.00 0.00 H new ATOM 743 N TYR A 49 -11.743 3.835 1.347 1.00 0.00 N ATOM 744 CA TYR A 49 -10.639 4.735 1.708 1.00 0.00 C ATOM 745 C TYR A 49 -10.300 5.892 0.665 1.00 0.00 C ATOM 746 O TYR A 49 -9.393 6.674 0.930 1.00 0.00 O ATOM 747 CB TYR A 49 -9.396 3.935 2.044 1.00 0.00 C ATOM 748 CG TYR A 49 -9.315 3.403 3.420 1.00 0.00 C ATOM 749 CD1 TYR A 49 -9.090 4.229 4.496 1.00 0.00 C ATOM 750 CD2 TYR A 49 -9.426 2.057 3.633 1.00 0.00 C ATOM 751 CE1 TYR A 49 -8.986 3.717 5.766 1.00 0.00 C ATOM 752 CE2 TYR A 49 -9.319 1.519 4.893 1.00 0.00 C ATOM 753 CZ TYR A 49 -9.100 2.348 5.960 1.00 0.00 C ATOM 754 OH TYR A 49 -9.002 1.815 7.231 1.00 0.00 O ATOM 0 H TYR A 49 -11.479 2.871 1.145 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.003 5.271 2.585 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.329 3.098 1.349 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.525 4.566 1.869 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.994 5.293 4.340 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.602 1.402 2.792 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.817 4.374 6.606 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.407 0.453 5.040 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.106 0.842 7.186 1.00 0.00 H new ATOM 764 N ASP A 50 -11.045 6.010 -0.458 1.00 0.00 N ATOM 765 CA ASP A 50 -10.823 7.021 -1.537 1.00 0.00 C ATOM 766 C ASP A 50 -9.425 6.924 -2.086 1.00 0.00 C ATOM 767 O ASP A 50 -8.549 7.755 -1.818 1.00 0.00 O ATOM 768 CB ASP A 50 -11.188 8.469 -1.144 1.00 0.00 C ATOM 769 CG ASP A 50 -11.025 9.422 -2.319 1.00 0.00 C ATOM 770 OD1 ASP A 50 -11.732 9.258 -3.330 1.00 0.00 O ATOM 771 OD2 ASP A 50 -10.188 10.355 -2.260 1.00 0.00 O ATOM 0 H ASP A 50 -11.836 5.396 -0.651 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.527 6.766 -2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.217 8.502 -0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.554 8.794 -0.319 1.00 0.00 H new ATOM 776 N VAL A 51 -9.203 5.841 -2.776 1.00 0.00 N ATOM 777 CA VAL A 51 -7.900 5.457 -3.264 1.00 0.00 C ATOM 778 C VAL A 51 -8.021 4.711 -4.596 1.00 0.00 C ATOM 779 O VAL A 51 -9.112 4.382 -5.034 1.00 0.00 O ATOM 780 CB VAL A 51 -7.213 4.526 -2.240 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.726 5.264 -1.017 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.183 3.492 -1.815 1.00 0.00 C ATOM 0 H VAL A 51 -9.940 5.181 -3.023 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.310 6.362 -3.408 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.343 4.086 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.252 4.561 -0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.003 6.024 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.570 5.741 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.712 2.827 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.049 3.971 -1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.504 2.916 -2.683 1.00 0.00 H new ATOM 792 N GLN A 52 -6.900 4.387 -5.168 1.00 0.00 N ATOM 793 CA GLN A 52 -6.796 3.676 -6.439 1.00 0.00 C ATOM 794 C GLN A 52 -5.761 2.579 -6.233 1.00 0.00 C ATOM 795 O GLN A 52 -4.695 2.827 -5.736 1.00 0.00 O ATOM 796 CB GLN A 52 -6.349 4.693 -7.467 1.00 0.00 C ATOM 797 CG GLN A 52 -6.113 4.189 -8.852 1.00 0.00 C ATOM 798 CD GLN A 52 -5.575 5.300 -9.707 1.00 0.00 C ATOM 799 OE1 GLN A 52 -6.321 6.020 -10.368 1.00 0.00 O ATOM 800 NE2 GLN A 52 -4.292 5.491 -9.651 1.00 0.00 N ATOM 0 H GLN A 52 -5.992 4.611 -4.760 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.729 3.224 -6.776 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.101 5.481 -7.515 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.427 5.154 -7.111 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.408 3.358 -8.832 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.043 3.809 -9.275 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.708 4.870 -9.090 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.868 6.262 -10.168 1.00 0.00 H new ATOM 809 N ARG A 53 -6.104 1.360 -6.524 1.00 0.00 N ATOM 810 CA ARG A 53 -5.236 0.249 -6.160 1.00 0.00 C ATOM 811 C ARG A 53 -5.125 -0.686 -7.337 1.00 0.00 C ATOM 812 O ARG A 53 -6.123 -0.939 -8.019 1.00 0.00 O ATOM 813 CB ARG A 53 -5.749 -0.483 -4.883 1.00 0.00 C ATOM 814 CG ARG A 53 -6.095 0.414 -3.693 1.00 0.00 C ATOM 815 CD ARG A 53 -7.397 1.105 -3.896 1.00 0.00 C ATOM 816 NE ARG A 53 -8.528 0.190 -4.132 1.00 0.00 N ATOM 817 CZ ARG A 53 -9.632 0.500 -4.858 1.00 0.00 C ATOM 818 NH1 ARG A 53 -9.835 1.740 -5.289 1.00 0.00 N ATOM 819 NH2 ARG A 53 -10.541 -0.422 -5.098 1.00 0.00 N ATOM 0 H ARG A 53 -6.964 1.098 -7.006 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.245 0.630 -5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.635 -1.059 -5.149 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.988 -1.197 -4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.137 -0.185 -2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.307 1.153 -3.551 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.613 1.716 -3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.309 1.784 -4.744 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.477 -0.742 -3.721 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.157 2.472 -5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.669 1.960 -5.834 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.415 -1.368 -4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.371 -0.190 -5.643 1.00 0.00 H new ATOM 833 N PHE A 54 -3.948 -1.216 -7.567 1.00 0.00 N ATOM 834 CA PHE A 54 -3.682 -1.890 -8.859 1.00 0.00 C ATOM 835 C PHE A 54 -2.999 -3.228 -8.794 1.00 0.00 C ATOM 836 O PHE A 54 -2.293 -3.547 -7.842 1.00 0.00 O ATOM 837 CB PHE A 54 -2.878 -1.006 -9.829 1.00 0.00 C ATOM 838 CG PHE A 54 -3.649 0.034 -10.586 1.00 0.00 C ATOM 839 CD1 PHE A 54 -4.409 -0.325 -11.686 1.00 0.00 C ATOM 840 CD2 PHE A 54 -3.590 1.362 -10.228 1.00 0.00 C ATOM 841 CE1 PHE A 54 -5.099 0.621 -12.410 1.00 0.00 C ATOM 842 CE2 PHE A 54 -4.273 2.312 -10.951 1.00 0.00 C ATOM 843 CZ PHE A 54 -5.031 1.944 -12.042 1.00 0.00 C ATOM 0 H PHE A 54 -3.166 -1.207 -6.912 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.695 -2.067 -9.221 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.094 -0.504 -9.262 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.383 -1.655 -10.551 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.461 -1.363 -11.981 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.003 1.660 -9.372 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.691 0.325 -13.263 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.215 3.351 -10.663 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.569 2.692 -12.605 1.00 0.00 H new ATOM 853 N ILE A 55 -3.281 -4.002 -9.821 1.00 0.00 N ATOM 854 CA ILE A 55 -2.585 -5.199 -10.187 1.00 0.00 C ATOM 855 C ILE A 55 -1.426 -4.709 -11.062 1.00 0.00 C ATOM 856 O ILE A 55 -1.655 -4.158 -12.154 1.00 0.00 O ATOM 857 CB ILE A 55 -3.517 -6.117 -11.035 1.00 0.00 C ATOM 858 CG1 ILE A 55 -4.747 -6.536 -10.215 1.00 0.00 C ATOM 859 CG2 ILE A 55 -2.769 -7.330 -11.563 1.00 0.00 C ATOM 860 CD1 ILE A 55 -5.756 -7.385 -10.965 1.00 0.00 C ATOM 0 H ILE A 55 -4.051 -3.791 -10.456 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.254 -5.771 -9.320 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.859 -5.547 -11.899 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.410 -7.088 -9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.247 -5.638 -9.853 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.448 -7.949 -12.150 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.942 -7.002 -12.192 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.380 -7.910 -10.726 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.587 -7.631 -10.304 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.129 -6.831 -11.827 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.278 -8.304 -11.304 1.00 0.00 H new ATOM 872 N VAL A 56 -0.218 -4.842 -10.585 1.00 0.00 N ATOM 873 CA VAL A 56 0.936 -4.246 -11.257 1.00 0.00 C ATOM 874 C VAL A 56 2.070 -5.217 -11.466 1.00 0.00 C ATOM 875 O VAL A 56 2.869 -5.059 -12.390 1.00 0.00 O ATOM 876 CB VAL A 56 1.472 -3.002 -10.494 1.00 0.00 C ATOM 877 CG1 VAL A 56 0.542 -1.814 -10.673 1.00 0.00 C ATOM 878 CG2 VAL A 56 1.623 -3.321 -9.008 1.00 0.00 C ATOM 0 H VAL A 56 0.007 -5.356 -9.733 1.00 0.00 H new ATOM 0 HA VAL A 56 0.565 -3.943 -12.236 1.00 0.00 H new ATOM 0 HB VAL A 56 2.447 -2.744 -10.908 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.939 -0.956 -10.130 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.465 -1.569 -11.732 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.446 -2.064 -10.286 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.999 -2.443 -8.484 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.654 -3.602 -8.596 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.324 -4.146 -8.882 1.00 0.00 H new ATOM 888 N GLY A 57 2.158 -6.205 -10.633 1.00 0.00 N ATOM 889 CA GLY A 57 3.263 -7.133 -10.770 1.00 0.00 C ATOM 890 C GLY A 57 2.837 -8.537 -10.576 1.00 0.00 C ATOM 891 O GLY A 57 1.675 -8.745 -10.188 1.00 0.00 O ATOM 0 H GLY A 57 1.508 -6.397 -9.871 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.708 -7.023 -11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.036 -6.885 -10.043 1.00 0.00 H new ATOM 895 N SER A 58 3.788 -9.495 -10.794 1.00 0.00 N ATOM 896 CA SER A 58 3.557 -10.954 -10.682 1.00 0.00 C ATOM 897 C SER A 58 2.659 -11.228 -9.514 1.00 0.00 C ATOM 898 O SER A 58 1.504 -11.512 -9.702 1.00 0.00 O ATOM 899 CB SER A 58 4.890 -11.666 -10.510 1.00 0.00 C ATOM 900 OG SER A 58 5.856 -11.166 -11.436 1.00 0.00 O ATOM 0 H SER A 58 4.746 -9.263 -11.055 1.00 0.00 H new ATOM 0 HA SER A 58 3.077 -11.324 -11.588 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.252 -11.529 -9.491 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.757 -12.737 -10.660 1.00 0.00 H new ATOM 0 HG SER A 58 6.706 -11.636 -11.307 1.00 0.00 H new ATOM 906 N ASP A 59 3.141 -11.064 -8.314 1.00 0.00 N ATOM 907 CA ASP A 59 2.314 -11.075 -7.230 1.00 0.00 C ATOM 908 C ASP A 59 2.630 -9.809 -6.533 1.00 0.00 C ATOM 909 O ASP A 59 3.370 -9.767 -5.582 1.00 0.00 O ATOM 910 CB ASP A 59 2.416 -12.358 -6.387 1.00 0.00 C ATOM 911 CG ASP A 59 1.951 -13.589 -7.188 1.00 0.00 C ATOM 912 OD1 ASP A 59 0.733 -13.818 -7.319 1.00 0.00 O ATOM 913 OD2 ASP A 59 2.804 -14.331 -7.707 1.00 0.00 O ATOM 0 H ASP A 59 4.128 -10.921 -8.101 1.00 0.00 H new ATOM 0 HA ASP A 59 1.258 -11.111 -7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.446 -12.501 -6.061 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.808 -12.255 -5.488 1.00 0.00 H new ATOM 918 N ARG A 60 2.297 -8.729 -7.242 1.00 0.00 N ATOM 919 CA ARG A 60 2.551 -7.373 -6.789 1.00 0.00 C ATOM 920 C ARG A 60 1.305 -6.541 -7.014 1.00 0.00 C ATOM 921 O ARG A 60 0.694 -6.578 -8.100 1.00 0.00 O ATOM 922 CB ARG A 60 3.762 -6.689 -7.509 1.00 0.00 C ATOM 923 CG ARG A 60 5.185 -7.256 -7.262 1.00 0.00 C ATOM 924 CD ARG A 60 5.380 -8.662 -7.806 1.00 0.00 C ATOM 925 NE ARG A 60 6.774 -9.111 -7.766 1.00 0.00 N ATOM 926 CZ ARG A 60 7.212 -10.285 -7.265 1.00 0.00 C ATOM 927 NH1 ARG A 60 6.418 -11.055 -6.512 1.00 0.00 N ATOM 928 NH2 ARG A 60 8.460 -10.653 -7.479 1.00 0.00 N ATOM 0 H ARG A 60 1.840 -8.778 -8.153 1.00 0.00 H new ATOM 0 HA ARG A 60 2.809 -7.433 -5.732 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.573 -6.724 -8.582 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.769 -5.638 -7.220 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.917 -6.592 -7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.386 -7.258 -6.191 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.766 -9.355 -7.231 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.023 -8.699 -8.835 1.00 0.00 H new ATOM 0 HE ARG A 60 7.476 -8.480 -8.151 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.464 -10.758 -6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.767 -11.939 -6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.083 -10.052 -8.018 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.802 -11.538 -7.105 1.00 0.00 H new ATOM 942 N ALA A 61 0.992 -5.753 -6.045 1.00 0.00 N ATOM 943 CA ALA A 61 -0.236 -4.975 -5.994 1.00 0.00 C ATOM 944 C ALA A 61 0.126 -3.586 -5.567 1.00 0.00 C ATOM 945 O ALA A 61 1.294 -3.352 -5.239 1.00 0.00 O ATOM 946 CB ALA A 61 -1.196 -5.596 -4.983 1.00 0.00 C ATOM 0 H ALA A 61 1.591 -5.615 -5.231 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.724 -4.960 -6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.115 -5.011 -4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.428 -6.618 -5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.732 -5.603 -3.997 1.00 0.00 H new ATOM 952 N ILE A 62 -0.786 -2.634 -5.645 1.00 0.00 N ATOM 953 CA ILE A 62 -0.482 -1.344 -5.081 1.00 0.00 C ATOM 954 C ILE A 62 -1.627 -0.855 -4.347 1.00 0.00 C ATOM 955 O ILE A 62 -2.808 -1.220 -4.678 1.00 0.00 O ATOM 956 CB ILE A 62 -0.204 -0.182 -6.078 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.500 0.371 -6.694 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.781 -0.543 -7.121 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.267 1.553 -7.599 1.00 0.00 C ATOM 0 H ILE A 62 -1.706 -2.727 -6.076 1.00 0.00 H new ATOM 0 HA ILE A 62 0.421 -1.551 -4.507 1.00 0.00 H new ATOM 0 HB ILE A 62 0.246 0.617 -5.489 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.993 -0.420 -7.259 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.180 0.662 -5.894 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.934 0.307 -7.787 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.727 -0.811 -6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.408 -1.391 -7.695 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.220 1.896 -8.002 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.801 2.359 -7.032 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.611 1.260 -8.419 1.00 0.00 H new ATOM 971 N PHE A 63 -1.317 0.035 -3.450 1.00 0.00 N ATOM 972 CA PHE A 63 -2.305 0.857 -2.875 1.00 0.00 C ATOM 973 C PHE A 63 -1.875 2.300 -3.057 1.00 0.00 C ATOM 974 O PHE A 63 -0.803 2.733 -2.582 1.00 0.00 O ATOM 975 CB PHE A 63 -2.782 0.470 -1.428 1.00 0.00 C ATOM 976 CG PHE A 63 -1.799 0.540 -0.282 1.00 0.00 C ATOM 977 CD1 PHE A 63 -0.720 -0.329 -0.203 1.00 0.00 C ATOM 978 CD2 PHE A 63 -1.997 1.449 0.766 1.00 0.00 C ATOM 979 CE1 PHE A 63 0.138 -0.286 0.882 1.00 0.00 C ATOM 980 CE2 PHE A 63 -1.134 1.485 1.830 1.00 0.00 C ATOM 981 CZ PHE A 63 -0.073 0.623 1.890 1.00 0.00 C ATOM 0 H PHE A 63 -0.371 0.200 -3.107 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.239 0.691 -3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.624 1.115 -1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.163 -0.550 -1.471 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.549 -1.044 -0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.837 2.127 0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.974 -0.968 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.292 2.198 2.626 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.601 0.657 2.733 1.00 0.00 H new ATOM 991 N MET A 64 -2.597 2.968 -3.924 1.00 0.00 N ATOM 992 CA MET A 64 -2.370 4.385 -4.211 1.00 0.00 C ATOM 993 C MET A 64 -3.367 5.240 -3.465 1.00 0.00 C ATOM 994 O MET A 64 -4.552 5.292 -3.810 1.00 0.00 O ATOM 995 CB MET A 64 -2.378 4.669 -5.743 1.00 0.00 C ATOM 996 CG MET A 64 -2.363 6.149 -6.153 1.00 0.00 C ATOM 997 SD MET A 64 -1.955 6.384 -7.891 1.00 0.00 S ATOM 998 CE MET A 64 -1.970 8.175 -8.001 1.00 0.00 C ATOM 0 H MET A 64 -3.362 2.554 -4.457 1.00 0.00 H new ATOM 0 HA MET A 64 -1.375 4.652 -3.855 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.511 4.180 -6.188 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.263 4.202 -6.175 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.340 6.588 -5.951 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.640 6.685 -5.538 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.734 8.479 -9.021 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.958 8.548 -7.730 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.227 8.588 -7.319 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.889 5.858 -2.424 1.00 0.00 N ATOM 1009 CA LEU A 65 -3.685 6.707 -1.564 1.00 0.00 C ATOM 1010 C LEU A 65 -3.519 8.131 -1.853 1.00 0.00 C ATOM 1011 O LEU A 65 -2.437 8.593 -2.211 1.00 0.00 O ATOM 1012 CB LEU A 65 -3.674 6.393 -0.049 1.00 0.00 C ATOM 1013 CG LEU A 65 -2.378 6.044 0.619 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -1.810 4.738 0.100 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -1.372 7.164 0.526 1.00 0.00 C ATOM 0 H LEU A 65 -1.913 5.789 -2.137 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.700 6.428 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.086 7.260 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.362 5.565 0.119 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.599 5.902 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.871 4.522 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.519 3.932 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.631 4.820 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.449 6.866 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.166 7.382 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.773 8.055 1.009 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.564 8.813 -1.654 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.707 10.154 -2.174 1.00 0.00 C ATOM 1029 C ARG A 66 -4.573 11.290 -1.175 1.00 0.00 C ATOM 1030 O ARG A 66 -3.597 12.037 -1.270 1.00 0.00 O ATOM 1031 CB ARG A 66 -5.876 10.262 -3.187 1.00 0.00 C ATOM 1032 CG ARG A 66 -6.408 11.660 -3.453 1.00 0.00 C ATOM 1033 CD ARG A 66 -7.379 11.655 -4.618 1.00 0.00 C ATOM 1034 NE ARG A 66 -8.466 10.662 -4.479 1.00 0.00 N ATOM 1035 CZ ARG A 66 -8.785 9.757 -5.429 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -8.021 9.635 -6.521 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -9.856 8.975 -5.278 1.00 0.00 N ATOM 0 H ARG A 66 -5.369 8.479 -1.124 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.802 10.330 -2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.548 9.834 -4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.699 9.645 -2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.906 12.040 -2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.579 12.335 -3.668 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.816 12.648 -4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.829 11.453 -5.537 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.007 10.661 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.197 10.226 -6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.262 8.951 -7.238 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.436 9.060 -4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.094 8.292 -5.997 1.00 0.00 H new ATOM 1051 N ASP A 67 -5.522 11.450 -0.247 1.00 0.00 N ATOM 1052 CA ASP A 67 -5.449 12.505 0.785 1.00 0.00 C ATOM 1053 C ASP A 67 -4.051 12.685 1.482 1.00 0.00 C ATOM 1054 O ASP A 67 -3.744 13.783 1.890 1.00 0.00 O ATOM 1055 CB ASP A 67 -6.540 12.296 1.842 1.00 0.00 C ATOM 1056 CG ASP A 67 -6.571 13.347 2.924 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -6.790 14.533 2.619 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -6.431 12.992 4.102 1.00 0.00 O ATOM 0 H ASP A 67 -6.354 10.864 -0.184 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.611 13.433 0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.510 12.275 1.346 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.397 11.320 2.305 1.00 0.00 H new ATOM 1063 N GLY A 68 -3.166 11.646 1.526 1.00 0.00 N ATOM 1064 CA GLY A 68 -1.916 11.794 2.246 1.00 0.00 C ATOM 1065 C GLY A 68 -2.024 11.869 3.757 1.00 0.00 C ATOM 1066 O GLY A 68 -1.064 12.246 4.413 1.00 0.00 O ATOM 0 H GLY A 68 -3.308 10.739 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.270 10.955 1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.420 12.698 1.892 1.00 0.00 H new ATOM 1070 N SER A 69 -3.161 11.557 4.320 1.00 0.00 N ATOM 1071 CA SER A 69 -3.268 11.586 5.775 1.00 0.00 C ATOM 1072 C SER A 69 -3.683 10.196 6.357 1.00 0.00 C ATOM 1073 O SER A 69 -4.296 10.127 7.434 1.00 0.00 O ATOM 1074 CB SER A 69 -4.278 12.691 6.159 1.00 0.00 C ATOM 1075 OG SER A 69 -4.282 12.998 7.554 1.00 0.00 O ATOM 0 H SER A 69 -4.009 11.286 3.822 1.00 0.00 H new ATOM 0 HA SER A 69 -2.293 11.810 6.209 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.047 13.595 5.596 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.279 12.378 5.861 1.00 0.00 H new ATOM 0 HG SER A 69 -4.274 12.166 8.072 1.00 0.00 H new ATOM 1081 N TYR A 70 -3.258 9.093 5.707 1.00 0.00 N ATOM 1082 CA TYR A 70 -3.677 7.730 6.076 1.00 0.00 C ATOM 1083 C TYR A 70 -3.082 6.773 5.032 1.00 0.00 C ATOM 1084 O TYR A 70 -3.054 7.164 3.856 1.00 0.00 O ATOM 1085 CB TYR A 70 -5.261 7.628 6.041 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.864 7.815 4.645 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -6.105 9.066 4.109 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -6.109 6.721 3.856 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -6.559 9.204 2.821 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -6.580 6.842 2.564 1.00 0.00 C ATOM 1091 CZ TYR A 70 -6.792 8.097 2.051 1.00 0.00 C ATOM 1092 OH TYR A 70 -7.227 8.251 0.753 1.00 0.00 O ATOM 0 H TYR A 70 -2.617 9.124 4.914 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.334 7.479 7.080 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.561 6.654 6.428 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.679 8.380 6.710 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -5.934 9.946 4.711 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.928 5.735 4.257 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.733 10.189 2.414 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.778 5.964 1.967 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.108 7.833 0.651 1.00 0.00 H new ATOM 1102 N ALA A 71 -2.535 5.582 5.458 1.00 0.00 N ATOM 1103 CA ALA A 71 -2.074 4.496 4.505 1.00 0.00 C ATOM 1104 C ALA A 71 -1.252 3.353 5.176 1.00 0.00 C ATOM 1105 O ALA A 71 -1.328 2.153 4.780 1.00 0.00 O ATOM 1106 CB ALA A 71 -1.224 5.068 3.375 1.00 0.00 C ATOM 0 H ALA A 71 -2.402 5.348 6.442 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.003 4.070 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.911 4.262 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.809 5.795 2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.344 5.556 3.793 1.00 0.00 H new ATOM 1112 N TRP A 72 -0.489 3.657 6.180 1.00 0.00 N ATOM 1113 CA TRP A 72 0.452 2.652 6.620 1.00 0.00 C ATOM 1114 C TRP A 72 -0.073 1.584 7.542 1.00 0.00 C ATOM 1115 O TRP A 72 0.528 0.485 7.702 1.00 0.00 O ATOM 1116 CB TRP A 72 1.900 3.159 6.770 1.00 0.00 C ATOM 1117 CG TRP A 72 2.338 3.557 5.390 1.00 0.00 C ATOM 1118 CD1 TRP A 72 2.161 2.793 4.304 1.00 0.00 C ATOM 1119 CD2 TRP A 72 2.969 4.772 4.895 1.00 0.00 C ATOM 1120 NE1 TRP A 72 2.559 3.435 3.207 1.00 0.00 N ATOM 1121 CE2 TRP A 72 3.067 4.616 3.515 1.00 0.00 C ATOM 1122 CE3 TRP A 72 3.440 5.952 5.441 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 3.596 5.570 2.673 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 3.980 6.903 4.596 1.00 0.00 C ATOM 1125 CH2 TRP A 72 4.048 6.698 3.213 1.00 0.00 C ATOM 0 H TRP A 72 -0.487 4.539 6.692 1.00 0.00 H new ATOM 0 HA TRP A 72 0.579 1.988 5.765 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.949 4.005 7.455 1.00 0.00 H new ATOM 0 HB3 TRP A 72 2.547 2.381 7.177 1.00 0.00 H new ATOM 0 HD1 TRP A 72 1.752 1.794 4.316 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.482 3.066 2.259 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.387 6.127 6.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 3.642 5.406 1.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 4.358 7.825 5.012 1.00 0.00 H new ATOM 0 HH2 TRP A 72 4.471 7.463 2.579 1.00 0.00 H new ATOM 1136 N GLU A 73 -1.257 1.830 8.024 1.00 0.00 N ATOM 1137 CA GLU A 73 -1.989 0.840 8.741 1.00 0.00 C ATOM 1138 C GLU A 73 -2.495 -0.170 7.696 1.00 0.00 C ATOM 1139 O GLU A 73 -2.488 -1.400 7.933 1.00 0.00 O ATOM 1140 CB GLU A 73 -3.124 1.498 9.507 1.00 0.00 C ATOM 1141 CG GLU A 73 -3.948 0.565 10.352 1.00 0.00 C ATOM 1142 CD GLU A 73 -4.970 1.310 11.146 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -5.929 1.848 10.549 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -4.829 1.399 12.377 1.00 0.00 O ATOM 0 H GLU A 73 -1.738 2.724 7.928 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.376 0.325 9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.707 2.273 10.150 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.782 1.995 8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.443 -0.166 9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.296 0.009 11.026 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.876 0.365 6.490 1.00 0.00 N ATOM 1152 CA ILE A 74 -3.222 -0.480 5.354 1.00 0.00 C ATOM 1153 C ILE A 74 -2.034 -1.444 5.072 1.00 0.00 C ATOM 1154 O ILE A 74 -2.212 -2.700 4.919 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.541 0.299 3.993 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.864 1.041 3.958 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.572 -0.699 2.924 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.953 2.025 2.810 1.00 0.00 C ATOM 0 H ILE A 74 -2.943 1.366 6.307 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.140 -0.992 5.643 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.766 1.058 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.678 0.320 3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.002 1.574 4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.787 -0.209 1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.605 -1.198 2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.347 -1.435 3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.920 2.526 2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.158 2.765 2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.844 1.493 1.865 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.814 -0.853 5.063 1.00 0.00 N ATOM 1171 CA LYS A 75 0.405 -1.583 4.748 1.00 0.00 C ATOM 1172 C LYS A 75 0.563 -2.766 5.687 1.00 0.00 C ATOM 1173 O LYS A 75 0.769 -3.946 5.230 1.00 0.00 O ATOM 1174 CB LYS A 75 1.602 -0.595 4.819 1.00 0.00 C ATOM 1175 CG LYS A 75 3.004 -1.140 4.522 1.00 0.00 C ATOM 1176 CD LYS A 75 3.655 -1.810 5.726 1.00 0.00 C ATOM 1177 CE LYS A 75 5.080 -2.225 5.413 1.00 0.00 C ATOM 1178 NZ LYS A 75 5.774 -2.759 6.595 1.00 0.00 N ATOM 0 H LYS A 75 -0.664 0.134 5.274 1.00 0.00 H new ATOM 0 HA LYS A 75 0.363 -1.994 3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.405 0.219 4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.617 -0.161 5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.942 -1.858 3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.640 -0.323 4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.650 -1.126 6.574 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.074 -2.684 6.018 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.073 -2.979 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.630 -1.367 5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.744 -3.030 6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.805 -2.032 7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.265 -3.594 6.949 1.00 0.00 H new ATOM 1192 N ASP A 76 0.408 -2.479 6.983 1.00 0.00 N ATOM 1193 CA ASP A 76 0.543 -3.517 8.002 1.00 0.00 C ATOM 1194 C ASP A 76 -0.443 -4.650 7.767 1.00 0.00 C ATOM 1195 O ASP A 76 -0.026 -5.823 7.755 1.00 0.00 O ATOM 1196 CB ASP A 76 0.380 -2.964 9.420 1.00 0.00 C ATOM 1197 CG ASP A 76 0.671 -4.007 10.498 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -0.250 -4.734 10.942 1.00 0.00 O ATOM 1199 OD2 ASP A 76 1.829 -4.102 10.949 1.00 0.00 O ATOM 0 H ASP A 76 0.192 -1.550 7.345 1.00 0.00 H new ATOM 0 HA ASP A 76 1.557 -3.908 7.913 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.049 -2.114 9.553 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.637 -2.592 9.546 1.00 0.00 H new ATOM 1204 N PHE A 77 -1.745 -4.302 7.513 1.00 0.00 N ATOM 1205 CA PHE A 77 -2.775 -5.341 7.291 1.00 0.00 C ATOM 1206 C PHE A 77 -2.310 -6.297 6.214 1.00 0.00 C ATOM 1207 O PHE A 77 -2.238 -7.481 6.424 1.00 0.00 O ATOM 1208 CB PHE A 77 -4.149 -4.814 6.797 1.00 0.00 C ATOM 1209 CG PHE A 77 -4.838 -3.716 7.556 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -4.891 -3.717 8.933 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -5.466 -2.680 6.859 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -5.550 -2.715 9.616 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -6.129 -1.677 7.538 1.00 0.00 C ATOM 1214 CZ PHE A 77 -6.172 -1.696 8.917 1.00 0.00 C ATOM 0 H PHE A 77 -2.086 -3.342 7.460 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.907 -5.798 8.272 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.017 -4.469 5.772 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.831 -5.664 6.761 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.411 -4.512 9.485 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.432 -2.664 5.780 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.580 -2.726 10.696 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.612 -0.880 6.992 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.692 -0.914 9.451 1.00 0.00 H new ATOM 1224 N LEU A 78 -1.947 -5.758 5.069 1.00 0.00 N ATOM 1225 CA LEU A 78 -1.600 -6.599 3.908 1.00 0.00 C ATOM 1226 C LEU A 78 -0.443 -7.524 4.129 1.00 0.00 C ATOM 1227 O LEU A 78 -0.548 -8.809 3.951 1.00 0.00 O ATOM 1228 CB LEU A 78 -1.273 -5.769 2.724 1.00 0.00 C ATOM 1229 CG LEU A 78 -2.352 -4.893 2.212 1.00 0.00 C ATOM 1230 CD1 LEU A 78 -1.945 -4.526 0.844 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -3.648 -5.634 2.194 1.00 0.00 C ATOM 0 H LEU A 78 -1.880 -4.754 4.903 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.493 -7.203 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.415 -5.144 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.961 -6.433 1.918 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.496 -4.012 2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.700 -3.876 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.989 -4.003 0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.844 -5.428 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.435 -4.981 1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.559 -6.507 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.898 -5.955 3.205 1.00 0.00 H new ATOM 1243 N VAL A 79 0.659 -6.952 4.528 1.00 0.00 N ATOM 1244 CA VAL A 79 1.825 -7.754 4.634 1.00 0.00 C ATOM 1245 C VAL A 79 1.851 -8.603 5.879 1.00 0.00 C ATOM 1246 O VAL A 79 2.740 -9.432 6.076 1.00 0.00 O ATOM 1247 CB VAL A 79 3.117 -7.011 4.327 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.067 -6.582 2.860 1.00 0.00 C ATOM 1249 CG2 VAL A 79 3.302 -5.819 5.236 1.00 0.00 C ATOM 0 H VAL A 79 0.766 -5.968 4.775 1.00 0.00 H new ATOM 0 HA VAL A 79 1.759 -8.478 3.822 1.00 0.00 H new ATOM 0 HB VAL A 79 3.971 -7.665 4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.981 -6.045 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.977 -7.464 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.208 -5.931 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.235 -5.313 4.987 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.469 -5.129 5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.336 -6.154 6.273 1.00 0.00 H new ATOM 1259 N SER A 80 0.881 -8.398 6.718 1.00 0.00 N ATOM 1260 CA SER A 80 0.625 -9.315 7.760 1.00 0.00 C ATOM 1261 C SER A 80 -0.673 -10.084 7.467 1.00 0.00 C ATOM 1262 O SER A 80 -1.114 -10.876 8.295 1.00 0.00 O ATOM 1263 CB SER A 80 0.564 -8.607 9.107 1.00 0.00 C ATOM 1264 OG SER A 80 1.821 -8.003 9.412 1.00 0.00 O ATOM 0 H SER A 80 0.255 -7.593 6.691 1.00 0.00 H new ATOM 0 HA SER A 80 1.445 -10.031 7.812 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.217 -7.847 9.090 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.298 -9.320 9.887 1.00 0.00 H new ATOM 0 HG SER A 80 1.765 -7.551 10.280 1.00 0.00 H new ATOM 1270 N GLN A 81 -1.291 -9.864 6.264 1.00 0.00 N ATOM 1271 CA GLN A 81 -2.494 -10.559 5.945 1.00 0.00 C ATOM 1272 C GLN A 81 -2.092 -11.869 5.452 1.00 0.00 C ATOM 1273 O GLN A 81 -2.644 -12.895 5.877 1.00 0.00 O ATOM 1274 CB GLN A 81 -3.319 -9.813 4.885 1.00 0.00 C ATOM 1275 CG GLN A 81 -4.733 -10.326 4.737 1.00 0.00 C ATOM 1276 CD GLN A 81 -5.518 -10.250 6.041 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -6.413 -11.060 6.283 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -5.196 -9.291 6.883 1.00 0.00 N ATOM 0 H GLN A 81 -0.956 -9.222 5.546 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.132 -10.639 6.825 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.352 -8.755 5.143 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.812 -9.891 3.923 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.249 -9.746 3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.707 -11.359 4.391 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.449 -8.637 6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -5.694 -9.202 7.769 1.00 0.00 H new ATOM 1287 N ASP A 82 -1.084 -11.853 4.578 1.00 0.00 N ATOM 1288 CA ASP A 82 -0.536 -13.133 4.099 1.00 0.00 C ATOM 1289 C ASP A 82 0.835 -13.071 3.420 1.00 0.00 C ATOM 1290 O ASP A 82 1.863 -13.109 4.122 1.00 0.00 O ATOM 1291 CB ASP A 82 -1.560 -14.075 3.382 1.00 0.00 C ATOM 1292 CG ASP A 82 -2.149 -13.527 2.115 1.00 0.00 C ATOM 1293 OD1 ASP A 82 -3.212 -12.862 2.172 1.00 0.00 O ATOM 1294 OD2 ASP A 82 -1.598 -13.799 1.041 1.00 0.00 O ATOM 0 H ASP A 82 -0.644 -11.014 4.199 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.322 -13.637 5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.065 -15.019 3.156 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.371 -14.299 4.075 1.00 0.00 H new ATOM 1299 N ARG A 83 0.907 -12.965 2.101 1.00 0.00 N ATOM 1300 CA ARG A 83 2.211 -13.050 1.459 1.00 0.00 C ATOM 1301 C ARG A 83 2.843 -11.683 1.309 1.00 0.00 C ATOM 1302 O ARG A 83 2.222 -10.752 0.821 1.00 0.00 O ATOM 1303 CB ARG A 83 2.123 -13.788 0.132 1.00 0.00 C ATOM 1304 CG ARG A 83 1.388 -15.105 0.235 1.00 0.00 C ATOM 1305 CD ARG A 83 1.999 -16.028 1.268 1.00 0.00 C ATOM 1306 NE ARG A 83 1.138 -17.176 1.551 1.00 0.00 N ATOM 1307 CZ ARG A 83 1.496 -18.241 2.279 1.00 0.00 C ATOM 1308 NH1 ARG A 83 2.743 -18.363 2.734 1.00 0.00 N ATOM 1309 NH2 ARG A 83 0.613 -19.192 2.552 1.00 0.00 N ATOM 0 H ARG A 83 0.114 -12.826 1.475 1.00 0.00 H new ATOM 0 HA ARG A 83 2.866 -13.632 2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.619 -13.154 -0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.130 -13.969 -0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.345 -14.917 0.491 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.393 -15.598 -0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.968 -16.380 0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.179 -15.474 2.189 1.00 0.00 H new ATOM 0 HE ARG A 83 0.194 -17.164 1.165 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.434 -17.641 2.528 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.006 -19.178 3.288 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.344 -19.114 2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.891 -20.002 3.107 1.00 0.00 H new ATOM 1323 N CYS A 84 4.075 -11.575 1.735 1.00 0.00 N ATOM 1324 CA CYS A 84 4.764 -10.311 1.766 1.00 0.00 C ATOM 1325 C CYS A 84 6.274 -10.486 1.592 1.00 0.00 C ATOM 1326 O CYS A 84 6.810 -11.564 1.889 1.00 0.00 O ATOM 1327 CB CYS A 84 4.491 -9.697 3.126 1.00 0.00 C ATOM 1328 SG CYS A 84 4.864 -10.796 4.516 1.00 0.00 S ATOM 0 H CYS A 84 4.630 -12.362 2.071 1.00 0.00 H new ATOM 0 HA CYS A 84 4.412 -9.681 0.949 1.00 0.00 H new ATOM 0 HB2 CYS A 84 5.081 -8.786 3.227 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.442 -9.405 3.178 1.00 0.00 H new ATOM 0 HG CYS A 84 4.041 -10.555 5.493 1.00 0.00 H new ATOM 1334 N ALA A 85 6.930 -9.474 1.049 1.00 0.00 N ATOM 1335 CA ALA A 85 8.366 -9.404 0.990 1.00 0.00 C ATOM 1336 C ALA A 85 8.819 -7.964 0.932 1.00 0.00 C ATOM 1337 O ALA A 85 9.827 -7.609 1.550 1.00 0.00 O ATOM 1338 CB ALA A 85 8.925 -10.172 -0.191 1.00 0.00 C ATOM 0 H ALA A 85 6.464 -8.668 0.632 1.00 0.00 H new ATOM 0 HA ALA A 85 8.751 -9.869 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.012 -10.092 -0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.639 -11.221 -0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.526 -9.757 -1.117 1.00 0.00 H new ATOM 1344 N GLU A 86 8.071 -7.105 0.228 1.00 0.00 N ATOM 1345 CA GLU A 86 8.527 -5.749 0.037 1.00 0.00 C ATOM 1346 C GLU A 86 7.368 -4.796 -0.198 1.00 0.00 C ATOM 1347 O GLU A 86 6.508 -5.070 -1.000 1.00 0.00 O ATOM 1348 CB GLU A 86 9.515 -5.713 -1.145 1.00 0.00 C ATOM 1349 CG GLU A 86 10.029 -4.337 -1.511 1.00 0.00 C ATOM 1350 CD GLU A 86 11.051 -4.380 -2.595 1.00 0.00 C ATOM 1351 OE1 GLU A 86 10.694 -4.442 -3.776 1.00 0.00 O ATOM 1352 OE2 GLU A 86 12.248 -4.324 -2.288 1.00 0.00 O ATOM 0 H GLU A 86 7.174 -7.328 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 86 9.031 -5.417 0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.367 -6.350 -0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.028 -6.146 -2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.193 -3.713 -1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.461 -3.867 -0.627 1.00 0.00 H new ATOM 1359 N VAL A 87 7.332 -3.714 0.523 1.00 0.00 N ATOM 1360 CA VAL A 87 6.383 -2.658 0.268 1.00 0.00 C ATOM 1361 C VAL A 87 7.188 -1.422 -0.101 1.00 0.00 C ATOM 1362 O VAL A 87 7.745 -0.764 0.787 1.00 0.00 O ATOM 1363 CB VAL A 87 5.500 -2.332 1.524 1.00 0.00 C ATOM 1364 CG1 VAL A 87 4.466 -1.241 1.234 1.00 0.00 C ATOM 1365 CG2 VAL A 87 4.814 -3.576 2.055 1.00 0.00 C ATOM 0 H VAL A 87 7.959 -3.534 1.307 1.00 0.00 H new ATOM 0 HA VAL A 87 5.706 -2.971 -0.527 1.00 0.00 H new ATOM 0 HB VAL A 87 6.177 -1.954 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.878 -1.049 2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.977 -0.327 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.806 -1.570 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.211 -3.316 2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.172 -3.996 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.566 -4.311 2.342 1.00 0.00 H new ATOM 1375 N THR A 88 7.330 -1.139 -1.385 1.00 0.00 N ATOM 1376 CA THR A 88 8.060 0.030 -1.777 1.00 0.00 C ATOM 1377 C THR A 88 7.156 1.155 -2.125 1.00 0.00 C ATOM 1378 O THR A 88 6.125 1.004 -2.812 1.00 0.00 O ATOM 1379 CB THR A 88 9.119 -0.189 -2.840 1.00 0.00 C ATOM 1380 OG1 THR A 88 8.609 -0.979 -3.934 1.00 0.00 O ATOM 1381 CG2 THR A 88 10.323 -0.838 -2.235 1.00 0.00 C ATOM 0 H THR A 88 6.954 -1.697 -2.152 1.00 0.00 H new ATOM 0 HA THR A 88 8.625 0.303 -0.886 1.00 0.00 H new ATOM 0 HB THR A 88 9.405 0.782 -3.243 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.634 -1.043 -3.865 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.079 -0.992 -3.005 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.728 -0.196 -1.452 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.041 -1.800 -1.806 1.00 0.00 H new ATOM 1389 N LEU A 89 7.524 2.270 -1.647 1.00 0.00 N ATOM 1390 CA LEU A 89 6.693 3.394 -1.665 1.00 0.00 C ATOM 1391 C LEU A 89 7.194 4.387 -2.665 1.00 0.00 C ATOM 1392 O LEU A 89 8.356 4.369 -3.056 1.00 0.00 O ATOM 1393 CB LEU A 89 6.656 4.020 -0.292 1.00 0.00 C ATOM 1394 CG LEU A 89 6.603 3.070 0.936 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.308 3.804 2.190 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.678 1.911 0.765 1.00 0.00 C ATOM 0 H LEU A 89 8.437 2.431 -1.221 1.00 0.00 H new ATOM 0 HA LEU A 89 5.686 3.088 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.538 4.652 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.786 4.676 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 89 7.605 2.648 1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.280 3.103 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.085 4.548 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.342 4.302 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.697 1.295 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.665 2.276 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.996 1.315 -0.090 1.00 0.00 H new