USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=21 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= 0.893 K(o=2,f=-1.1) USER MOD Set 1.2: A 29 THR OG1 : rot -8:sc= 1.15 USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 0.985 (180deg=0.98) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -142:sc= -0.0289 (180deg=-1.92!) USER MOD Single : A 20 MET CE :methyl 156:sc= -3.77! (180deg=-5.58!) USER MOD Single : A 23 THR OG1 : rot 109:sc= 2.11 USER MOD Single : A 25 SER OG : rot -129:sc= -0.0774 USER MOD Single : A 31 LYS NZ :NH3+ -179:sc= 2.37 (180deg=2.32) USER MOD Single : A 33 THR OG1 : rot -124:sc= 1.51 USER MOD Single : A 37 THR OG1 : rot -79:sc= 1.2 USER MOD Single : A 38 SER OG : rot -87:sc= 1.26 USER MOD Single : A 41 GLN : amide:sc= 1.18 K(o=1.2,f=-0.39) USER MOD Single : A 43 SER OG : rot -89:sc= 1.3 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.76 X(o=-0.76,f=-0.37) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.95! K(o=-2.9!,f=-0.2) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -126:sc= -0.468 (180deg=-4.7!) USER MOD Single : A 69 SER OG : rot 180:sc= -0.107 USER MOD Single : A 70 TYR OH : rot -134:sc= 0.48 USER MOD Single : A 75 LYS NZ :NH3+ 171:sc=-0.00111 (180deg=-0.0767) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.381 K(o=-0.38,f=-1.1) USER MOD Single : A 84 CYS SG : rot 180:sc= -3.76! USER MOD Single : A 88 THR OG1 : rot 159:sc= 0.215 USER MOD ----------------------------------------------------------------- ATOM 233 N LYS A 16 -1.037 13.809 0.901 1.00 0.00 N ATOM 234 CA LYS A 16 -0.113 13.647 -0.176 1.00 0.00 C ATOM 235 C LYS A 16 -0.307 12.289 -0.780 1.00 0.00 C ATOM 236 O LYS A 16 -0.390 11.285 -0.053 1.00 0.00 O ATOM 237 CB LYS A 16 1.335 13.774 0.336 1.00 0.00 C ATOM 238 CG LYS A 16 2.405 13.556 -0.736 1.00 0.00 C ATOM 239 CD LYS A 16 2.403 14.667 -1.772 1.00 0.00 C ATOM 240 CE LYS A 16 3.352 14.363 -2.928 1.00 0.00 C ATOM 241 NZ LYS A 16 2.868 13.254 -3.786 1.00 0.00 N ATOM 0 HA LYS A 16 -0.291 14.422 -0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.469 14.765 0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.489 13.052 1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.386 13.501 -0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.235 12.599 -1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.392 14.804 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.694 15.605 -1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.478 15.259 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.334 14.108 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.572 13.054 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.724 12.403 -3.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.968 13.526 -4.230 1.00 0.00 H new ATOM 255 N THR A 17 -0.398 12.260 -2.074 1.00 0.00 N ATOM 256 CA THR A 17 -0.512 11.049 -2.789 1.00 0.00 C ATOM 257 C THR A 17 0.805 10.270 -2.682 1.00 0.00 C ATOM 258 O THR A 17 1.891 10.803 -2.974 1.00 0.00 O ATOM 259 CB THR A 17 -0.845 11.354 -4.257 1.00 0.00 C ATOM 260 OG1 THR A 17 -2.090 12.094 -4.329 1.00 0.00 O ATOM 261 CG2 THR A 17 -0.957 10.086 -5.080 1.00 0.00 C ATOM 0 H THR A 17 -0.394 13.094 -2.661 1.00 0.00 H new ATOM 0 HA THR A 17 -1.313 10.441 -2.369 1.00 0.00 H new ATOM 0 HB THR A 17 -0.032 11.951 -4.670 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.301 12.290 -5.266 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.193 10.342 -6.113 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.010 9.546 -5.048 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.748 9.456 -4.672 1.00 0.00 H new ATOM 269 N LEU A 18 0.712 9.088 -2.164 1.00 0.00 N ATOM 270 CA LEU A 18 1.815 8.194 -2.062 1.00 0.00 C ATOM 271 C LEU A 18 1.252 6.857 -2.564 1.00 0.00 C ATOM 272 O LEU A 18 0.261 6.351 -2.043 1.00 0.00 O ATOM 273 CB LEU A 18 2.253 8.104 -0.569 1.00 0.00 C ATOM 274 CG LEU A 18 3.771 7.916 -0.186 1.00 0.00 C ATOM 275 CD1 LEU A 18 4.460 6.750 -0.819 1.00 0.00 C ATOM 276 CD2 LEU A 18 4.614 9.180 -0.317 1.00 0.00 C ATOM 0 H LEU A 18 -0.158 8.709 -1.790 1.00 0.00 H new ATOM 0 HA LEU A 18 2.692 8.500 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.909 9.014 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.704 7.274 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 18 3.699 7.679 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.498 6.716 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.956 5.828 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.430 6.854 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.644 8.961 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.587 9.530 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.214 9.954 0.339 1.00 0.00 H new ATOM 288 N MET A 19 1.761 6.361 -3.621 1.00 0.00 N ATOM 289 CA MET A 19 1.274 5.095 -4.115 1.00 0.00 C ATOM 290 C MET A 19 2.353 4.072 -3.998 1.00 0.00 C ATOM 291 O MET A 19 3.536 4.378 -4.198 1.00 0.00 O ATOM 292 CB MET A 19 0.715 5.191 -5.561 1.00 0.00 C ATOM 293 CG MET A 19 1.714 5.143 -6.716 1.00 0.00 C ATOM 294 SD MET A 19 2.308 3.467 -7.089 1.00 0.00 S ATOM 295 CE MET A 19 3.423 3.789 -8.446 1.00 0.00 C ATOM 0 H MET A 19 2.506 6.789 -4.170 1.00 0.00 H new ATOM 0 HA MET A 19 0.428 4.790 -3.499 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.003 4.377 -5.700 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.154 6.122 -5.642 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.247 5.562 -7.608 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.567 5.777 -6.475 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.344 2.987 -9.180 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.161 4.737 -8.915 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.446 3.840 -8.072 1.00 0.00 H new ATOM 305 N MET A 20 1.989 2.892 -3.637 1.00 0.00 N ATOM 306 CA MET A 20 2.955 1.846 -3.509 1.00 0.00 C ATOM 307 C MET A 20 2.674 0.756 -4.418 1.00 0.00 C ATOM 308 O MET A 20 1.533 0.224 -4.427 1.00 0.00 O ATOM 309 CB MET A 20 3.016 1.257 -2.111 1.00 0.00 C ATOM 310 CG MET A 20 3.864 2.002 -1.129 1.00 0.00 C ATOM 311 SD MET A 20 3.331 3.681 -0.840 1.00 0.00 S ATOM 312 CE MET A 20 1.695 3.383 -0.271 1.00 0.00 C ATOM 0 H MET A 20 1.029 2.621 -3.424 1.00 0.00 H new ATOM 0 HA MET A 20 3.910 2.317 -3.743 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.002 1.199 -1.717 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.389 0.235 -2.183 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.864 1.463 -0.182 1.00 0.00 H new ATOM 0 HG3 MET A 20 4.893 2.015 -1.489 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.364 4.222 0.341 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.027 3.272 -1.125 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.678 2.470 0.325 1.00 0.00 H new ATOM 322 N PHE A 21 3.670 0.387 -5.184 1.00 0.00 N ATOM 323 CA PHE A 21 3.528 -0.826 -5.894 1.00 0.00 C ATOM 324 C PHE A 21 4.257 -1.866 -5.116 1.00 0.00 C ATOM 325 O PHE A 21 5.443 -1.698 -4.743 1.00 0.00 O ATOM 326 CB PHE A 21 3.814 -0.802 -7.422 1.00 0.00 C ATOM 327 CG PHE A 21 5.190 -0.514 -7.913 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.168 -1.500 -7.927 1.00 0.00 C ATOM 329 CD2 PHE A 21 5.475 0.718 -8.459 1.00 0.00 C ATOM 330 CE1 PHE A 21 7.402 -1.250 -8.471 1.00 0.00 C ATOM 331 CE2 PHE A 21 6.716 0.981 -8.991 1.00 0.00 C ATOM 332 CZ PHE A 21 7.682 -0.007 -9.000 1.00 0.00 C ATOM 0 H PHE A 21 4.545 0.893 -5.319 1.00 0.00 H new ATOM 0 HA PHE A 21 2.467 -1.067 -5.952 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.522 -1.773 -7.823 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.149 -0.061 -7.866 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.955 -2.472 -7.506 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.716 1.486 -8.470 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.154 -2.025 -8.485 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.935 1.956 -9.400 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.656 0.194 -9.421 1.00 0.00 H new ATOM 342 N VAL A 22 3.551 -2.868 -4.779 1.00 0.00 N ATOM 343 CA VAL A 22 3.996 -3.809 -3.841 1.00 0.00 C ATOM 344 C VAL A 22 4.210 -5.189 -4.416 1.00 0.00 C ATOM 345 O VAL A 22 3.310 -5.789 -5.003 1.00 0.00 O ATOM 346 CB VAL A 22 3.056 -3.804 -2.574 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.583 -3.782 -2.960 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.320 -4.998 -1.675 1.00 0.00 C ATOM 0 H VAL A 22 2.624 -3.061 -5.158 1.00 0.00 H new ATOM 0 HA VAL A 22 4.992 -3.501 -3.522 1.00 0.00 H new ATOM 0 HB VAL A 22 3.289 -2.890 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.971 -3.779 -2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.373 -2.886 -3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.349 -4.665 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.653 -4.959 -0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.141 -5.918 -2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.355 -4.975 -1.334 1.00 0.00 H new ATOM 358 N THR A 23 5.424 -5.654 -4.266 1.00 0.00 N ATOM 359 CA THR A 23 5.770 -6.983 -4.570 1.00 0.00 C ATOM 360 C THR A 23 5.185 -7.847 -3.387 1.00 0.00 C ATOM 361 O THR A 23 5.354 -7.450 -2.207 1.00 0.00 O ATOM 362 CB THR A 23 7.300 -7.090 -4.671 1.00 0.00 C ATOM 363 OG1 THR A 23 7.770 -6.374 -5.834 1.00 0.00 O ATOM 364 CG2 THR A 23 7.780 -8.512 -4.702 1.00 0.00 C ATOM 0 H THR A 23 6.202 -5.092 -3.921 1.00 0.00 H new ATOM 0 HA THR A 23 5.369 -7.330 -5.523 1.00 0.00 H new ATOM 0 HB THR A 23 7.715 -6.637 -3.770 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.247 -5.566 -5.550 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.868 -8.527 -4.774 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.469 -9.021 -3.789 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.352 -9.022 -5.565 1.00 0.00 H new ATOM 372 N VAL A 24 4.537 -8.994 -3.644 1.00 0.00 N ATOM 373 CA VAL A 24 3.719 -9.538 -2.639 1.00 0.00 C ATOM 374 C VAL A 24 4.097 -11.001 -2.175 1.00 0.00 C ATOM 375 O VAL A 24 4.266 -11.878 -3.020 1.00 0.00 O ATOM 376 CB VAL A 24 2.244 -9.543 -3.122 1.00 0.00 C ATOM 377 CG1 VAL A 24 2.081 -10.351 -4.377 1.00 0.00 C ATOM 378 CG2 VAL A 24 1.340 -10.092 -2.068 1.00 0.00 C ATOM 0 H VAL A 24 4.582 -9.520 -4.517 1.00 0.00 H new ATOM 0 HA VAL A 24 3.872 -8.896 -1.771 1.00 0.00 H new ATOM 0 HB VAL A 24 1.973 -8.508 -3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.036 -10.334 -4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.702 -9.927 -5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.387 -11.380 -4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.312 -10.085 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.635 -11.115 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.412 -9.478 -1.171 1.00 0.00 H new ATOM 388 N SER A 25 4.275 -11.243 -0.834 1.00 0.00 N ATOM 389 CA SER A 25 4.291 -12.573 -0.254 1.00 0.00 C ATOM 390 C SER A 25 5.522 -13.444 -0.562 1.00 0.00 C ATOM 391 O SER A 25 6.140 -13.984 0.355 1.00 0.00 O ATOM 392 CB SER A 25 2.942 -13.262 -0.563 1.00 0.00 C ATOM 393 OG SER A 25 2.881 -14.627 -0.197 1.00 0.00 O ATOM 0 H SER A 25 4.409 -10.499 -0.149 1.00 0.00 H new ATOM 0 HA SER A 25 4.404 -12.445 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.147 -12.725 -0.045 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.741 -13.176 -1.631 1.00 0.00 H new ATOM 0 HG SER A 25 2.562 -15.156 -0.958 1.00 0.00 H new ATOM 399 N GLY A 26 5.905 -13.538 -1.793 1.00 0.00 N ATOM 400 CA GLY A 26 6.942 -14.435 -2.167 1.00 0.00 C ATOM 401 C GLY A 26 6.458 -15.324 -3.266 1.00 0.00 C ATOM 402 O GLY A 26 7.261 -15.945 -3.966 1.00 0.00 O ATOM 0 H GLY A 26 5.509 -12.997 -2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.819 -13.877 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.247 -15.033 -1.309 1.00 0.00 H new ATOM 406 N ASN A 27 5.139 -15.366 -3.432 1.00 0.00 N ATOM 407 CA ASN A 27 4.505 -16.129 -4.472 1.00 0.00 C ATOM 408 C ASN A 27 4.753 -15.436 -5.798 1.00 0.00 C ATOM 409 O ASN A 27 4.201 -14.380 -6.058 1.00 0.00 O ATOM 410 CB ASN A 27 3.004 -16.240 -4.189 1.00 0.00 C ATOM 411 CG ASN A 27 2.243 -16.976 -5.268 1.00 0.00 C ATOM 412 OD1 ASN A 27 1.724 -16.367 -6.220 1.00 0.00 O ATOM 413 ND2 ASN A 27 2.180 -18.273 -5.152 1.00 0.00 N ATOM 0 H ASN A 27 4.484 -14.861 -2.835 1.00 0.00 H new ATOM 0 HA ASN A 27 4.918 -17.137 -4.509 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.858 -16.752 -3.238 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.587 -15.239 -4.079 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.692 -18.825 -5.857 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.619 -18.736 -4.356 1.00 0.00 H new ATOM 420 N PRO A 28 5.571 -16.036 -6.662 1.00 0.00 N ATOM 421 CA PRO A 28 6.020 -15.404 -7.897 1.00 0.00 C ATOM 422 C PRO A 28 5.046 -15.593 -9.050 1.00 0.00 C ATOM 423 O PRO A 28 5.427 -15.478 -10.222 1.00 0.00 O ATOM 424 CB PRO A 28 7.324 -16.145 -8.181 1.00 0.00 C ATOM 425 CG PRO A 28 7.104 -17.525 -7.655 1.00 0.00 C ATOM 426 CD PRO A 28 6.114 -17.407 -6.524 1.00 0.00 C ATOM 0 HA PRO A 28 6.117 -14.323 -7.796 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.546 -16.160 -9.248 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.168 -15.664 -7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.721 -18.180 -8.437 1.00 0.00 H new ATOM 0 HG3 PRO A 28 8.041 -17.959 -7.305 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.327 -18.157 -6.603 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.595 -17.550 -5.556 1.00 0.00 H new ATOM 434 N THR A 29 3.802 -15.831 -8.738 1.00 0.00 N ATOM 435 CA THR A 29 2.843 -16.077 -9.765 1.00 0.00 C ATOM 436 C THR A 29 1.715 -15.067 -9.619 1.00 0.00 C ATOM 437 O THR A 29 1.817 -14.146 -8.801 1.00 0.00 O ATOM 438 CB THR A 29 2.293 -17.540 -9.729 1.00 0.00 C ATOM 439 OG1 THR A 29 1.668 -17.836 -8.464 1.00 0.00 O ATOM 440 CG2 THR A 29 3.398 -18.558 -9.994 1.00 0.00 C ATOM 0 H THR A 29 3.436 -15.859 -7.786 1.00 0.00 H new ATOM 0 HA THR A 29 3.329 -15.962 -10.734 1.00 0.00 H new ATOM 0 HB THR A 29 1.546 -17.613 -10.520 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.835 -17.102 -7.837 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.981 -19.564 -9.962 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.832 -18.376 -10.977 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.172 -18.461 -9.233 1.00 0.00 H new ATOM 448 N GLU A 30 0.635 -15.229 -10.353 1.00 0.00 N ATOM 449 CA GLU A 30 -0.439 -14.286 -10.280 1.00 0.00 C ATOM 450 C GLU A 30 -1.443 -14.751 -9.218 1.00 0.00 C ATOM 451 O GLU A 30 -2.492 -14.173 -9.053 1.00 0.00 O ATOM 452 CB GLU A 30 -1.093 -14.124 -11.670 1.00 0.00 C ATOM 453 CG GLU A 30 -2.077 -12.966 -11.788 1.00 0.00 C ATOM 454 CD GLU A 30 -2.638 -12.815 -13.174 1.00 0.00 C ATOM 455 OE1 GLU A 30 -1.976 -12.182 -14.024 1.00 0.00 O ATOM 456 OE2 GLU A 30 -3.752 -13.302 -13.438 1.00 0.00 O ATOM 0 H GLU A 30 0.486 -16.003 -11.001 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.065 -13.306 -9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.306 -13.989 -12.412 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.612 -15.049 -11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.896 -13.118 -11.085 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.578 -12.041 -11.501 1.00 0.00 H new ATOM 463 N LYS A 31 -1.065 -15.774 -8.454 1.00 0.00 N ATOM 464 CA LYS A 31 -1.927 -16.314 -7.428 1.00 0.00 C ATOM 465 C LYS A 31 -2.111 -15.316 -6.320 1.00 0.00 C ATOM 466 O LYS A 31 -3.243 -14.976 -5.941 1.00 0.00 O ATOM 467 CB LYS A 31 -1.373 -17.644 -6.856 1.00 0.00 C ATOM 468 CG LYS A 31 -2.307 -18.312 -5.827 1.00 0.00 C ATOM 469 CD LYS A 31 -2.137 -17.752 -4.405 1.00 0.00 C ATOM 470 CE LYS A 31 -3.485 -17.495 -3.753 1.00 0.00 C ATOM 471 NZ LYS A 31 -3.365 -16.939 -2.387 1.00 0.00 N ATOM 0 H LYS A 31 -0.162 -16.241 -8.534 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.893 -16.523 -7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.197 -18.338 -7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.407 -17.454 -6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.341 -18.177 -6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.115 -19.385 -5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.565 -18.456 -3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.565 -16.825 -4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.057 -16.804 -4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.048 -18.428 -3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.314 -16.800 -1.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.829 -17.600 -1.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.868 -16.026 -2.426 1.00 0.00 H new ATOM 485 N GLU A 32 -1.017 -14.856 -5.771 1.00 0.00 N ATOM 486 CA GLU A 32 -1.123 -13.970 -4.653 1.00 0.00 C ATOM 487 C GLU A 32 -1.700 -12.651 -5.159 1.00 0.00 C ATOM 488 O GLU A 32 -2.588 -12.070 -4.545 1.00 0.00 O ATOM 489 CB GLU A 32 0.231 -13.824 -3.930 1.00 0.00 C ATOM 490 CG GLU A 32 0.117 -13.513 -2.434 1.00 0.00 C ATOM 491 CD GLU A 32 -0.494 -14.667 -1.676 1.00 0.00 C ATOM 492 OE1 GLU A 32 -1.731 -14.868 -1.729 1.00 0.00 O ATOM 493 OE2 GLU A 32 0.260 -15.409 -1.005 1.00 0.00 O ATOM 0 H GLU A 32 -0.068 -15.075 -6.073 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.798 -14.369 -3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.798 -14.747 -4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.803 -13.031 -4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.105 -13.293 -2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.491 -12.620 -2.292 1.00 0.00 H new ATOM 500 N THR A 33 -1.230 -12.262 -6.329 1.00 0.00 N ATOM 501 CA THR A 33 -1.758 -11.156 -7.086 1.00 0.00 C ATOM 502 C THR A 33 -3.303 -11.204 -7.166 1.00 0.00 C ATOM 503 O THR A 33 -3.959 -10.278 -6.738 1.00 0.00 O ATOM 504 CB THR A 33 -1.190 -11.183 -8.514 1.00 0.00 C ATOM 505 OG1 THR A 33 0.230 -11.072 -8.455 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.741 -10.037 -9.342 1.00 0.00 C ATOM 0 H THR A 33 -0.446 -12.725 -6.788 1.00 0.00 H new ATOM 0 HA THR A 33 -1.464 -10.239 -6.575 1.00 0.00 H new ATOM 0 HB THR A 33 -1.481 -12.123 -8.983 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.522 -10.312 -9.000 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.322 -10.080 -10.348 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.827 -10.117 -9.397 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.470 -9.089 -8.877 1.00 0.00 H new ATOM 514 N GLU A 34 -3.861 -12.312 -7.665 1.00 0.00 N ATOM 515 CA GLU A 34 -5.304 -12.443 -7.873 1.00 0.00 C ATOM 516 C GLU A 34 -6.076 -12.354 -6.551 1.00 0.00 C ATOM 517 O GLU A 34 -7.021 -11.547 -6.427 1.00 0.00 O ATOM 518 CB GLU A 34 -5.650 -13.742 -8.644 1.00 0.00 C ATOM 519 CG GLU A 34 -5.470 -15.040 -7.868 1.00 0.00 C ATOM 520 CD GLU A 34 -5.830 -16.253 -8.676 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.016 -16.406 -9.042 1.00 0.00 O ATOM 522 OE2 GLU A 34 -4.960 -17.106 -8.919 1.00 0.00 O ATOM 0 H GLU A 34 -3.327 -13.138 -7.934 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.620 -11.602 -8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.686 -13.680 -8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.030 -13.787 -9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.434 -15.122 -7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.087 -15.010 -6.970 1.00 0.00 H new ATOM 529 N GLU A 35 -5.606 -13.138 -5.566 1.00 0.00 N ATOM 530 CA GLU A 35 -6.172 -13.245 -4.208 1.00 0.00 C ATOM 531 C GLU A 35 -6.384 -11.840 -3.666 1.00 0.00 C ATOM 532 O GLU A 35 -7.514 -11.385 -3.368 1.00 0.00 O ATOM 533 CB GLU A 35 -5.083 -13.940 -3.303 1.00 0.00 C ATOM 534 CG GLU A 35 -5.507 -14.260 -1.884 1.00 0.00 C ATOM 535 CD GLU A 35 -6.510 -15.360 -1.839 1.00 0.00 C ATOM 536 OE1 GLU A 35 -6.096 -16.535 -1.835 1.00 0.00 O ATOM 537 OE2 GLU A 35 -7.733 -15.084 -1.793 1.00 0.00 O ATOM 0 H GLU A 35 -4.791 -13.737 -5.697 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.109 -13.802 -4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.774 -14.867 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.206 -13.294 -3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.632 -14.542 -1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.926 -13.367 -1.420 1.00 0.00 H new ATOM 544 N ILE A 36 -5.296 -11.178 -3.638 1.00 0.00 N ATOM 545 CA ILE A 36 -5.127 -9.909 -3.076 1.00 0.00 C ATOM 546 C ILE A 36 -5.766 -8.805 -3.876 1.00 0.00 C ATOM 547 O ILE A 36 -6.406 -7.969 -3.307 1.00 0.00 O ATOM 548 CB ILE A 36 -3.645 -9.728 -2.901 1.00 0.00 C ATOM 549 CG1 ILE A 36 -3.196 -10.579 -1.717 1.00 0.00 C ATOM 550 CG2 ILE A 36 -3.193 -8.280 -2.830 1.00 0.00 C ATOM 551 CD1 ILE A 36 -1.753 -10.845 -1.711 1.00 0.00 C ATOM 0 H ILE A 36 -4.433 -11.543 -4.042 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.644 -9.846 -2.118 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.142 -10.079 -3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.470 -10.074 -0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.734 -11.527 -1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.111 -8.242 -2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.469 -7.767 -3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.675 -7.790 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.499 -11.455 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.477 -11.377 -2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.209 -9.902 -1.663 1.00 0.00 H new ATOM 563 N THR A 37 -5.635 -8.805 -5.170 1.00 0.00 N ATOM 564 CA THR A 37 -6.212 -7.728 -5.926 1.00 0.00 C ATOM 565 C THR A 37 -7.719 -7.713 -5.796 1.00 0.00 C ATOM 566 O THR A 37 -8.290 -6.694 -5.412 1.00 0.00 O ATOM 567 CB THR A 37 -5.763 -7.710 -7.389 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.917 -9.020 -7.970 1.00 0.00 O ATOM 569 CG2 THR A 37 -4.307 -7.251 -7.490 1.00 0.00 C ATOM 0 H THR A 37 -5.148 -9.517 -5.714 1.00 0.00 H new ATOM 0 HA THR A 37 -5.830 -6.805 -5.490 1.00 0.00 H new ATOM 0 HB THR A 37 -6.388 -7.007 -7.940 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.173 -9.592 -7.688 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.000 -7.243 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.212 -6.247 -7.076 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.670 -7.936 -6.930 1.00 0.00 H new ATOM 577 N SER A 38 -8.339 -8.864 -5.988 1.00 0.00 N ATOM 578 CA SER A 38 -9.770 -8.954 -5.890 1.00 0.00 C ATOM 579 C SER A 38 -10.240 -8.631 -4.463 1.00 0.00 C ATOM 580 O SER A 38 -10.903 -7.583 -4.226 1.00 0.00 O ATOM 581 CB SER A 38 -10.244 -10.338 -6.346 1.00 0.00 C ATOM 582 OG SER A 38 -9.551 -11.369 -5.649 1.00 0.00 O ATOM 0 H SER A 38 -7.869 -9.741 -6.211 1.00 0.00 H new ATOM 0 HA SER A 38 -10.218 -8.213 -6.552 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.316 -10.434 -6.174 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.082 -10.447 -7.418 1.00 0.00 H new ATOM 0 HG SER A 38 -8.720 -11.582 -6.122 1.00 0.00 H new ATOM 588 N LEU A 39 -9.821 -9.459 -3.503 1.00 0.00 N ATOM 589 CA LEU A 39 -10.263 -9.321 -2.134 1.00 0.00 C ATOM 590 C LEU A 39 -9.823 -7.993 -1.513 1.00 0.00 C ATOM 591 O LEU A 39 -10.662 -7.259 -0.943 1.00 0.00 O ATOM 592 CB LEU A 39 -9.840 -10.542 -1.279 1.00 0.00 C ATOM 593 CG LEU A 39 -10.169 -10.493 0.215 1.00 0.00 C ATOM 594 CD1 LEU A 39 -11.670 -10.414 0.436 1.00 0.00 C ATOM 595 CD2 LEU A 39 -9.595 -11.711 0.919 1.00 0.00 C ATOM 0 H LEU A 39 -9.174 -10.231 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.353 -9.301 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.311 -11.430 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.763 -10.672 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.715 -9.596 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.879 -10.380 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.061 -9.514 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.149 -11.291 0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.836 -11.664 1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.024 -12.616 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.512 -11.728 0.793 1.00 0.00 H new ATOM 607 N TRP A 40 -8.558 -7.619 -1.683 1.00 0.00 N ATOM 608 CA TRP A 40 -8.083 -6.423 -1.053 1.00 0.00 C ATOM 609 C TRP A 40 -8.587 -5.236 -1.752 1.00 0.00 C ATOM 610 O TRP A 40 -9.286 -4.519 -1.157 1.00 0.00 O ATOM 611 CB TRP A 40 -6.579 -6.292 -0.932 1.00 0.00 C ATOM 612 CG TRP A 40 -5.872 -7.341 -0.173 1.00 0.00 C ATOM 613 CD1 TRP A 40 -6.362 -8.486 0.376 1.00 0.00 C ATOM 614 CD2 TRP A 40 -4.503 -7.320 0.083 1.00 0.00 C ATOM 615 NE1 TRP A 40 -5.338 -9.195 0.937 1.00 0.00 N ATOM 616 CE2 TRP A 40 -4.175 -8.483 0.774 1.00 0.00 C ATOM 617 CE3 TRP A 40 -3.511 -6.414 -0.231 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -2.866 -8.763 1.166 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -2.238 -6.686 0.143 1.00 0.00 C ATOM 620 CH2 TRP A 40 -1.911 -7.848 0.835 1.00 0.00 C ATOM 0 H TRP A 40 -7.869 -8.123 -2.241 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.469 -6.497 -0.036 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.160 -6.262 -1.938 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.359 -5.331 -0.466 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.399 -8.787 0.369 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.423 -10.100 1.399 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -3.745 -5.505 -0.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.620 -9.664 1.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.456 -5.982 -0.102 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.883 -8.028 1.115 1.00 0.00 H new ATOM 631 N GLN A 41 -8.298 -5.031 -3.061 1.00 0.00 N ATOM 632 CA GLN A 41 -8.688 -3.741 -3.640 1.00 0.00 C ATOM 633 C GLN A 41 -10.201 -3.556 -3.657 1.00 0.00 C ATOM 634 O GLN A 41 -10.691 -2.407 -3.569 1.00 0.00 O ATOM 635 CB GLN A 41 -7.932 -3.306 -4.957 1.00 0.00 C ATOM 636 CG GLN A 41 -8.378 -3.871 -6.302 1.00 0.00 C ATOM 637 CD GLN A 41 -9.440 -3.009 -6.962 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.626 -3.187 -6.732 1.00 0.00 O ATOM 639 NE2 GLN A 41 -9.020 -2.061 -7.779 1.00 0.00 N ATOM 0 H GLN A 41 -7.833 -5.689 -3.686 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.305 -2.995 -2.944 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.991 -2.220 -5.024 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.880 -3.561 -4.829 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.516 -3.953 -6.964 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.767 -4.879 -6.160 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.022 -1.940 -7.949 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.694 -1.450 -8.240 1.00 0.00 H new ATOM 648 N GLY A 42 -10.933 -4.685 -3.677 1.00 0.00 N ATOM 649 CA GLY A 42 -12.358 -4.638 -3.502 1.00 0.00 C ATOM 650 C GLY A 42 -12.698 -4.052 -2.135 1.00 0.00 C ATOM 651 O GLY A 42 -13.414 -3.046 -2.047 1.00 0.00 O ATOM 0 H GLY A 42 -10.548 -5.620 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.809 -4.033 -4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.777 -5.640 -3.591 1.00 0.00 H new ATOM 655 N SER A 43 -12.127 -4.627 -1.072 1.00 0.00 N ATOM 656 CA SER A 43 -12.367 -4.119 0.275 1.00 0.00 C ATOM 657 C SER A 43 -11.673 -2.750 0.505 1.00 0.00 C ATOM 658 O SER A 43 -12.163 -1.917 1.267 1.00 0.00 O ATOM 659 CB SER A 43 -11.983 -5.164 1.344 1.00 0.00 C ATOM 660 OG SER A 43 -10.653 -5.646 1.177 1.00 0.00 O ATOM 0 H SER A 43 -11.504 -5.433 -1.120 1.00 0.00 H new ATOM 0 HA SER A 43 -13.438 -3.941 0.377 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.085 -4.721 2.335 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.679 -6.001 1.296 1.00 0.00 H new ATOM 0 HG SER A 43 -10.660 -6.425 0.583 1.00 0.00 H new ATOM 666 N LEU A 44 -10.561 -2.514 -0.205 1.00 0.00 N ATOM 667 CA LEU A 44 -9.829 -1.256 -0.149 1.00 0.00 C ATOM 668 C LEU A 44 -10.741 -0.114 -0.623 1.00 0.00 C ATOM 669 O LEU A 44 -10.691 0.998 -0.090 1.00 0.00 O ATOM 670 CB LEU A 44 -8.471 -1.268 -0.978 1.00 0.00 C ATOM 671 CG LEU A 44 -7.411 -2.344 -0.684 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.036 -1.985 -1.343 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.298 -2.609 0.810 1.00 0.00 C ATOM 0 H LEU A 44 -10.147 -3.200 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.538 -1.103 0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.733 -1.348 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.996 -0.296 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.737 -3.278 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.309 -2.765 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.160 -1.907 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.681 -1.033 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.542 -3.374 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.012 -1.690 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.259 -2.954 1.192 1.00 0.00 H new ATOM 685 N PHE A 45 -11.609 -0.406 -1.603 1.00 0.00 N ATOM 686 CA PHE A 45 -12.552 0.592 -2.072 1.00 0.00 C ATOM 687 C PHE A 45 -13.829 0.547 -1.219 1.00 0.00 C ATOM 688 O PHE A 45 -14.473 1.578 -0.992 1.00 0.00 O ATOM 689 CB PHE A 45 -12.882 0.366 -3.556 1.00 0.00 C ATOM 690 CG PHE A 45 -13.705 1.451 -4.199 1.00 0.00 C ATOM 691 CD1 PHE A 45 -13.094 2.588 -4.694 1.00 0.00 C ATOM 692 CD2 PHE A 45 -15.079 1.326 -4.320 1.00 0.00 C ATOM 693 CE1 PHE A 45 -13.834 3.584 -5.297 1.00 0.00 C ATOM 694 CE2 PHE A 45 -15.827 2.320 -4.919 1.00 0.00 C ATOM 695 CZ PHE A 45 -15.204 3.449 -5.409 1.00 0.00 C ATOM 0 H PHE A 45 -11.670 -1.310 -2.072 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.100 1.579 -1.973 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -11.948 0.264 -4.109 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.415 -0.580 -3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -12.023 2.698 -4.608 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -15.570 0.442 -3.942 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.344 4.467 -5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -16.898 2.214 -5.004 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.787 4.227 -5.880 1.00 0.00 H new ATOM 705 N ASN A 46 -14.154 -0.640 -0.705 1.00 0.00 N ATOM 706 CA ASN A 46 -15.373 -0.858 0.089 1.00 0.00 C ATOM 707 C ASN A 46 -15.292 -0.150 1.450 1.00 0.00 C ATOM 708 O ASN A 46 -16.305 0.260 2.015 1.00 0.00 O ATOM 709 CB ASN A 46 -15.650 -2.374 0.256 1.00 0.00 C ATOM 710 CG ASN A 46 -16.934 -2.687 1.010 1.00 0.00 C ATOM 711 OD1 ASN A 46 -16.943 -2.808 2.231 1.00 0.00 O ATOM 712 ND2 ASN A 46 -18.014 -2.860 0.293 1.00 0.00 N ATOM 0 H ASN A 46 -13.584 -1.478 -0.824 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.211 -0.418 -0.452 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.698 -2.835 -0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.811 -2.831 0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.894 -3.102 0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.976 -2.753 -0.721 1.00 0.00 H new ATOM 719 N ALA A 47 -14.078 0.031 1.958 1.00 0.00 N ATOM 720 CA ALA A 47 -13.882 0.745 3.210 1.00 0.00 C ATOM 721 C ALA A 47 -13.788 2.247 2.961 1.00 0.00 C ATOM 722 O ALA A 47 -13.613 3.033 3.890 1.00 0.00 O ATOM 723 CB ALA A 47 -12.655 0.237 3.951 1.00 0.00 C ATOM 0 H ALA A 47 -13.219 -0.306 1.523 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.748 0.556 3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.537 0.791 4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.777 -0.823 4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.770 0.378 3.330 1.00 0.00 H new ATOM 729 N ASN A 48 -13.921 2.619 1.683 1.00 0.00 N ATOM 730 CA ASN A 48 -13.918 4.016 1.211 1.00 0.00 C ATOM 731 C ASN A 48 -12.592 4.747 1.547 1.00 0.00 C ATOM 732 O ASN A 48 -12.590 5.943 1.809 1.00 0.00 O ATOM 733 CB ASN A 48 -15.145 4.776 1.812 1.00 0.00 C ATOM 734 CG ASN A 48 -15.380 6.184 1.235 1.00 0.00 C ATOM 735 OD1 ASN A 48 -15.799 7.097 1.950 1.00 0.00 O ATOM 736 ND2 ASN A 48 -15.177 6.361 -0.057 1.00 0.00 N ATOM 0 H ASN A 48 -14.037 1.944 0.927 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.998 4.004 0.124 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.041 4.177 1.648 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.010 4.859 2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.367 7.268 -0.484 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.830 5.591 -0.629 1.00 0.00 H new ATOM 743 N TYR A 49 -11.447 4.050 1.514 1.00 0.00 N ATOM 744 CA TYR A 49 -10.183 4.740 1.812 1.00 0.00 C ATOM 745 C TYR A 49 -9.691 5.885 0.791 1.00 0.00 C ATOM 746 O TYR A 49 -8.689 6.534 1.053 1.00 0.00 O ATOM 747 CB TYR A 49 -9.108 3.721 2.073 1.00 0.00 C ATOM 748 CG TYR A 49 -9.042 3.189 3.465 1.00 0.00 C ATOM 749 CD1 TYR A 49 -9.128 4.028 4.563 1.00 0.00 C ATOM 750 CD2 TYR A 49 -8.826 1.843 3.676 1.00 0.00 C ATOM 751 CE1 TYR A 49 -9.005 3.530 5.837 1.00 0.00 C ATOM 752 CE2 TYR A 49 -8.683 1.332 4.938 1.00 0.00 C ATOM 753 CZ TYR A 49 -8.771 2.181 6.023 1.00 0.00 C ATOM 754 OH TYR A 49 -8.604 1.685 7.293 1.00 0.00 O ATOM 0 H TYR A 49 -11.367 3.057 1.295 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.399 5.327 2.705 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.254 2.884 1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.144 4.167 1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.294 5.085 4.416 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.768 1.178 2.827 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.091 4.189 6.688 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.503 0.277 5.083 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.449 0.718 7.249 1.00 0.00 H new ATOM 764 N ASP A 50 -10.417 6.134 -0.308 1.00 0.00 N ATOM 765 CA ASP A 50 -10.080 7.145 -1.359 1.00 0.00 C ATOM 766 C ASP A 50 -8.746 6.850 -1.986 1.00 0.00 C ATOM 767 O ASP A 50 -7.727 7.493 -1.701 1.00 0.00 O ATOM 768 CB ASP A 50 -10.196 8.610 -0.906 1.00 0.00 C ATOM 769 CG ASP A 50 -10.014 9.565 -2.074 1.00 0.00 C ATOM 770 OD1 ASP A 50 -10.651 9.356 -3.135 1.00 0.00 O ATOM 771 OD2 ASP A 50 -9.217 10.527 -1.983 1.00 0.00 O ATOM 0 H ASP A 50 -11.282 5.632 -0.510 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.852 7.039 -2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.171 8.775 -0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.445 8.818 -0.143 1.00 0.00 H new ATOM 776 N VAL A 51 -8.754 5.801 -2.768 1.00 0.00 N ATOM 777 CA VAL A 51 -7.554 5.209 -3.319 1.00 0.00 C ATOM 778 C VAL A 51 -7.807 4.597 -4.711 1.00 0.00 C ATOM 779 O VAL A 51 -8.947 4.532 -5.184 1.00 0.00 O ATOM 780 CB VAL A 51 -7.094 4.067 -2.383 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.466 4.575 -1.093 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.274 3.212 -2.064 1.00 0.00 C ATOM 0 H VAL A 51 -9.610 5.322 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.802 5.993 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.323 3.498 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.163 3.728 -0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.593 5.183 -1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.192 5.178 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.968 2.400 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.036 3.814 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.682 2.796 -2.985 1.00 0.00 H new ATOM 792 N GLN A 52 -6.736 4.104 -5.316 1.00 0.00 N ATOM 793 CA GLN A 52 -6.745 3.360 -6.597 1.00 0.00 C ATOM 794 C GLN A 52 -5.819 2.190 -6.366 1.00 0.00 C ATOM 795 O GLN A 52 -4.783 2.356 -5.775 1.00 0.00 O ATOM 796 CB GLN A 52 -6.167 4.213 -7.719 1.00 0.00 C ATOM 797 CG GLN A 52 -6.813 5.572 -7.892 1.00 0.00 C ATOM 798 CD GLN A 52 -6.027 6.460 -8.829 1.00 0.00 C ATOM 799 OE1 GLN A 52 -6.579 7.343 -9.482 1.00 0.00 O ATOM 800 NE2 GLN A 52 -4.744 6.192 -8.954 1.00 0.00 N ATOM 0 H GLN A 52 -5.799 4.207 -4.927 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.756 3.069 -6.882 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.102 4.355 -7.534 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.258 3.663 -8.656 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.825 5.446 -8.277 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.900 6.058 -6.920 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.321 5.451 -8.395 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.173 6.725 -9.610 1.00 0.00 H new ATOM 809 N ARG A 53 -6.195 1.011 -6.727 1.00 0.00 N ATOM 810 CA ARG A 53 -5.361 -0.142 -6.408 1.00 0.00 C ATOM 811 C ARG A 53 -5.325 -1.026 -7.612 1.00 0.00 C ATOM 812 O ARG A 53 -6.367 -1.292 -8.210 1.00 0.00 O ATOM 813 CB ARG A 53 -5.848 -0.914 -5.154 1.00 0.00 C ATOM 814 CG ARG A 53 -6.070 -0.096 -3.884 1.00 0.00 C ATOM 815 CD ARG A 53 -7.291 0.748 -3.984 1.00 0.00 C ATOM 816 NE ARG A 53 -8.515 -0.008 -4.297 1.00 0.00 N ATOM 817 CZ ARG A 53 -9.493 0.434 -5.119 1.00 0.00 C ATOM 818 NH1 ARG A 53 -9.491 1.691 -5.548 1.00 0.00 N ATOM 819 NH2 ARG A 53 -10.493 -0.363 -5.452 1.00 0.00 N ATOM 0 H ARG A 53 -7.055 0.801 -7.235 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.359 0.205 -6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.784 -1.413 -5.405 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.120 -1.695 -4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.159 -0.767 -3.029 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.202 0.538 -3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.433 1.277 -3.042 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.136 1.504 -4.754 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.633 -0.925 -3.866 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.749 2.328 -5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.231 2.019 -6.168 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.529 -1.315 -5.089 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.229 -0.026 -6.072 1.00 0.00 H new ATOM 833 N PHE A 54 -4.170 -1.510 -7.964 1.00 0.00 N ATOM 834 CA PHE A 54 -4.043 -2.064 -9.321 1.00 0.00 C ATOM 835 C PHE A 54 -3.330 -3.404 -9.370 1.00 0.00 C ATOM 836 O PHE A 54 -2.509 -3.726 -8.482 1.00 0.00 O ATOM 837 CB PHE A 54 -3.324 -1.020 -10.223 1.00 0.00 C ATOM 838 CG PHE A 54 -3.408 -1.254 -11.719 1.00 0.00 C ATOM 839 CD1 PHE A 54 -4.579 -0.985 -12.400 1.00 0.00 C ATOM 840 CD2 PHE A 54 -2.317 -1.715 -12.444 1.00 0.00 C ATOM 841 CE1 PHE A 54 -4.663 -1.173 -13.762 1.00 0.00 C ATOM 842 CE2 PHE A 54 -2.398 -1.907 -13.800 1.00 0.00 C ATOM 843 CZ PHE A 54 -3.570 -1.635 -14.462 1.00 0.00 C ATOM 0 H PHE A 54 -3.332 -1.543 -7.383 1.00 0.00 H new ATOM 0 HA PHE A 54 -5.049 -2.261 -9.690 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.741 -0.036 -10.007 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.272 -0.990 -9.940 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.440 -0.623 -11.858 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.390 -1.926 -11.932 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.585 -0.958 -14.281 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.541 -2.272 -14.346 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.635 -1.783 -15.530 1.00 0.00 H new ATOM 853 N ILE A 55 -3.687 -4.201 -10.382 1.00 0.00 N ATOM 854 CA ILE A 55 -2.989 -5.427 -10.703 1.00 0.00 C ATOM 855 C ILE A 55 -1.887 -5.057 -11.682 1.00 0.00 C ATOM 856 O ILE A 55 -2.130 -4.929 -12.880 1.00 0.00 O ATOM 857 CB ILE A 55 -3.900 -6.468 -11.427 1.00 0.00 C ATOM 858 CG1 ILE A 55 -5.203 -6.704 -10.665 1.00 0.00 C ATOM 859 CG2 ILE A 55 -3.148 -7.781 -11.618 1.00 0.00 C ATOM 860 CD1 ILE A 55 -6.096 -7.764 -11.276 1.00 0.00 C ATOM 0 H ILE A 55 -4.475 -4.003 -10.999 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.632 -5.872 -9.774 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.161 -6.061 -12.404 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.965 -6.992 -9.641 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.755 -5.766 -10.612 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.793 -8.499 -12.124 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.257 -7.606 -12.221 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.856 -8.178 -10.646 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.999 -7.870 -10.675 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.367 -7.471 -12.290 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.565 -8.716 -11.303 1.00 0.00 H new ATOM 872 N VAL A 56 -0.711 -4.854 -11.183 1.00 0.00 N ATOM 873 CA VAL A 56 0.391 -4.444 -11.990 1.00 0.00 C ATOM 874 C VAL A 56 1.219 -5.655 -12.443 1.00 0.00 C ATOM 875 O VAL A 56 1.868 -5.616 -13.495 1.00 0.00 O ATOM 876 CB VAL A 56 1.249 -3.336 -11.266 1.00 0.00 C ATOM 877 CG1 VAL A 56 1.799 -3.796 -9.941 1.00 0.00 C ATOM 878 CG2 VAL A 56 2.362 -2.814 -12.136 1.00 0.00 C ATOM 0 H VAL A 56 -0.487 -4.969 -10.195 1.00 0.00 H new ATOM 0 HA VAL A 56 0.005 -3.979 -12.897 1.00 0.00 H new ATOM 0 HB VAL A 56 0.556 -2.518 -11.071 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.380 -2.992 -9.490 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.976 -4.065 -9.279 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.439 -4.665 -10.095 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.923 -2.054 -11.592 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.028 -3.634 -12.405 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.941 -2.376 -13.041 1.00 0.00 H new ATOM 888 N GLY A 57 1.177 -6.747 -11.685 1.00 0.00 N ATOM 889 CA GLY A 57 1.888 -7.926 -12.127 1.00 0.00 C ATOM 890 C GLY A 57 1.774 -9.112 -11.206 1.00 0.00 C ATOM 891 O GLY A 57 1.205 -9.034 -10.119 1.00 0.00 O ATOM 0 H GLY A 57 0.679 -6.834 -10.799 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.516 -8.210 -13.111 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.942 -7.675 -12.245 1.00 0.00 H new ATOM 895 N SER A 58 2.293 -10.214 -11.646 1.00 0.00 N ATOM 896 CA SER A 58 2.362 -11.398 -10.849 1.00 0.00 C ATOM 897 C SER A 58 3.396 -11.138 -9.767 1.00 0.00 C ATOM 898 O SER A 58 4.554 -10.810 -10.113 1.00 0.00 O ATOM 899 CB SER A 58 2.799 -12.551 -11.740 1.00 0.00 C ATOM 900 OG SER A 58 1.935 -12.668 -12.872 1.00 0.00 O ATOM 0 H SER A 58 2.686 -10.319 -12.581 1.00 0.00 H new ATOM 0 HA SER A 58 1.402 -11.650 -10.399 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.824 -12.391 -12.073 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.790 -13.481 -11.171 1.00 0.00 H new ATOM 0 HG SER A 58 2.232 -13.413 -13.435 1.00 0.00 H new ATOM 906 N ASP A 59 2.958 -11.167 -8.464 1.00 0.00 N ATOM 907 CA ASP A 59 3.826 -10.899 -7.344 1.00 0.00 C ATOM 908 C ASP A 59 3.933 -9.385 -7.168 1.00 0.00 C ATOM 909 O ASP A 59 4.686 -8.900 -6.387 1.00 0.00 O ATOM 910 CB ASP A 59 5.191 -11.669 -7.488 1.00 0.00 C ATOM 911 CG ASP A 59 6.295 -11.322 -6.516 1.00 0.00 C ATOM 912 OD1 ASP A 59 6.282 -11.802 -5.363 1.00 0.00 O ATOM 913 OD2 ASP A 59 7.264 -10.644 -6.937 1.00 0.00 O ATOM 0 H ASP A 59 1.996 -11.378 -8.200 1.00 0.00 H new ATOM 0 HA ASP A 59 3.412 -11.289 -6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.986 -12.736 -7.397 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.567 -11.501 -8.497 1.00 0.00 H new ATOM 918 N ARG A 60 3.076 -8.639 -7.905 1.00 0.00 N ATOM 919 CA ARG A 60 2.992 -7.178 -7.798 1.00 0.00 C ATOM 920 C ARG A 60 1.529 -6.634 -7.829 1.00 0.00 C ATOM 921 O ARG A 60 0.808 -6.740 -8.825 1.00 0.00 O ATOM 922 CB ARG A 60 3.832 -6.438 -8.860 1.00 0.00 C ATOM 923 CG ARG A 60 5.327 -6.283 -8.565 1.00 0.00 C ATOM 924 CD ARG A 60 6.119 -7.547 -8.825 1.00 0.00 C ATOM 925 NE ARG A 60 7.532 -7.386 -8.473 1.00 0.00 N ATOM 926 CZ ARG A 60 8.545 -7.596 -9.311 1.00 0.00 C ATOM 927 NH1 ARG A 60 8.305 -7.785 -10.610 1.00 0.00 N ATOM 928 NH2 ARG A 60 9.796 -7.543 -8.883 1.00 0.00 N ATOM 0 H ARG A 60 2.430 -9.039 -8.585 1.00 0.00 H new ATOM 0 HA ARG A 60 3.414 -6.967 -6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.725 -6.966 -9.808 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.407 -5.444 -8.999 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.730 -5.477 -9.178 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.457 -5.988 -7.524 1.00 0.00 H new ATOM 0 HD2 ARG A 60 5.692 -8.368 -8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.035 -7.818 -9.877 1.00 0.00 H new ATOM 0 HE ARG A 60 7.755 -7.093 -7.522 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.347 -7.768 -10.959 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.080 -7.946 -11.254 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.991 -7.340 -7.903 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.565 -7.705 -9.533 1.00 0.00 H new ATOM 942 N ALA A 61 1.150 -6.009 -6.760 1.00 0.00 N ATOM 943 CA ALA A 61 -0.160 -5.367 -6.577 1.00 0.00 C ATOM 944 C ALA A 61 0.092 -3.908 -6.227 1.00 0.00 C ATOM 945 O ALA A 61 1.244 -3.553 -6.014 1.00 0.00 O ATOM 946 CB ALA A 61 -0.873 -6.036 -5.427 1.00 0.00 C ATOM 0 H ALA A 61 1.753 -5.915 -5.943 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.767 -5.449 -7.478 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.847 -5.568 -5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.008 -7.094 -5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.279 -5.929 -4.519 1.00 0.00 H new ATOM 952 N ILE A 62 -0.912 -3.020 -6.228 1.00 0.00 N ATOM 953 CA ILE A 62 -0.630 -1.685 -5.690 1.00 0.00 C ATOM 954 C ILE A 62 -1.751 -1.229 -4.862 1.00 0.00 C ATOM 955 O ILE A 62 -2.928 -1.638 -5.112 1.00 0.00 O ATOM 956 CB ILE A 62 -0.442 -0.513 -6.726 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.804 0.181 -7.053 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.251 -0.968 -7.975 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.675 1.440 -7.874 1.00 0.00 C ATOM 0 H ILE A 62 -1.860 -3.182 -6.569 1.00 0.00 H new ATOM 0 HA ILE A 62 0.315 -1.848 -5.171 1.00 0.00 H new ATOM 0 HB ILE A 62 0.205 0.226 -6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.439 -0.525 -7.588 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.311 0.421 -6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.358 -0.126 -8.659 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.237 -1.358 -7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.338 -1.751 -8.453 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.665 1.858 -8.056 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.068 2.166 -7.333 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.199 1.206 -8.826 1.00 0.00 H new ATOM 971 N PHE A 63 -1.403 -0.297 -3.984 1.00 0.00 N ATOM 972 CA PHE A 63 -2.338 0.503 -3.271 1.00 0.00 C ATOM 973 C PHE A 63 -1.903 1.969 -3.403 1.00 0.00 C ATOM 974 O PHE A 63 -0.872 2.389 -2.860 1.00 0.00 O ATOM 975 CB PHE A 63 -2.603 0.047 -1.791 1.00 0.00 C ATOM 976 CG PHE A 63 -1.453 0.101 -0.790 1.00 0.00 C ATOM 977 CD1 PHE A 63 -0.257 -0.559 -1.029 1.00 0.00 C ATOM 978 CD2 PHE A 63 -1.608 0.777 0.432 1.00 0.00 C ATOM 979 CE1 PHE A 63 0.758 -0.550 -0.087 1.00 0.00 C ATOM 980 CE2 PHE A 63 -0.593 0.787 1.362 1.00 0.00 C ATOM 981 CZ PHE A 63 0.589 0.121 1.107 1.00 0.00 C ATOM 0 H PHE A 63 -0.431 -0.086 -3.756 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.321 0.373 -3.723 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.413 0.660 -1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.966 -0.980 -1.822 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.115 -1.086 -1.961 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.532 1.294 0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.684 -1.069 -0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.722 1.317 2.294 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.381 0.125 1.841 1.00 0.00 H new ATOM 991 N MET A 64 -2.599 2.676 -4.263 1.00 0.00 N ATOM 992 CA MET A 64 -2.385 4.134 -4.483 1.00 0.00 C ATOM 993 C MET A 64 -3.238 4.881 -3.502 1.00 0.00 C ATOM 994 O MET A 64 -4.446 4.728 -3.529 1.00 0.00 O ATOM 995 CB MET A 64 -2.746 4.531 -5.965 1.00 0.00 C ATOM 996 CG MET A 64 -2.788 6.045 -6.334 1.00 0.00 C ATOM 997 SD MET A 64 -4.205 6.958 -5.641 1.00 0.00 S ATOM 998 CE MET A 64 -3.852 8.643 -6.145 1.00 0.00 C ATOM 0 H MET A 64 -3.337 2.278 -4.844 1.00 0.00 H new ATOM 0 HA MET A 64 -1.336 4.388 -4.329 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.025 4.048 -6.624 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.723 4.105 -6.195 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.867 6.515 -5.989 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.808 6.140 -7.420 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.863 9.294 -5.271 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.870 8.684 -6.616 1.00 0.00 H new ATOM 0 HE3 MET A 64 -4.609 8.976 -6.855 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.623 5.637 -2.616 1.00 0.00 N ATOM 1009 CA LEU A 65 -3.358 6.376 -1.607 1.00 0.00 C ATOM 1010 C LEU A 65 -3.159 7.865 -1.629 1.00 0.00 C ATOM 1011 O LEU A 65 -2.092 8.370 -2.000 1.00 0.00 O ATOM 1012 CB LEU A 65 -3.409 5.762 -0.193 1.00 0.00 C ATOM 1013 CG LEU A 65 -2.141 5.322 0.465 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -1.556 4.120 -0.219 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -1.147 6.450 0.559 1.00 0.00 C ATOM 0 H LEU A 65 -1.611 5.757 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.381 6.235 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.881 6.493 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.072 4.898 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.387 5.025 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.635 3.827 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.269 3.296 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.339 4.363 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.237 6.094 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.909 6.810 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.575 7.264 1.145 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.185 8.547 -1.247 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.257 9.993 -1.426 1.00 0.00 C ATOM 1029 C ARG A 66 -4.236 10.879 -0.140 1.00 0.00 C ATOM 1030 O ARG A 66 -3.389 11.752 -0.050 1.00 0.00 O ATOM 1031 CB ARG A 66 -5.321 10.356 -2.477 1.00 0.00 C ATOM 1032 CG ARG A 66 -5.650 11.827 -2.633 1.00 0.00 C ATOM 1033 CD ARG A 66 -6.447 12.055 -3.910 1.00 0.00 C ATOM 1034 NE ARG A 66 -7.590 11.130 -4.056 1.00 0.00 N ATOM 1035 CZ ARG A 66 -7.977 10.554 -5.214 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -7.326 10.819 -6.345 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -9.024 9.733 -5.234 1.00 0.00 N ATOM 0 H ARG A 66 -5.006 8.137 -0.801 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.288 10.283 -1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.988 9.978 -3.443 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.240 9.826 -2.227 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.222 12.172 -1.772 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.731 12.412 -2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.814 13.081 -3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.785 11.943 -4.769 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.128 10.910 -3.218 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.532 11.459 -6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.621 10.382 -7.218 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.536 9.538 -4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.315 9.299 -6.110 1.00 0.00 H new ATOM 1051 N ASP A 67 -5.163 10.710 0.831 1.00 0.00 N ATOM 1052 CA ASP A 67 -5.079 11.492 2.115 1.00 0.00 C ATOM 1053 C ASP A 67 -3.702 11.496 2.876 1.00 0.00 C ATOM 1054 O ASP A 67 -3.538 12.305 3.773 1.00 0.00 O ATOM 1055 CB ASP A 67 -6.191 11.125 3.099 1.00 0.00 C ATOM 1056 CG ASP A 67 -7.495 11.811 2.832 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -8.275 11.339 1.976 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -7.786 12.836 3.505 1.00 0.00 O ATOM 0 H ASP A 67 -5.954 10.069 0.769 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.203 12.510 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.347 10.047 3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.863 11.371 4.109 1.00 0.00 H new ATOM 1063 N GLY A 68 -2.729 10.605 2.546 1.00 0.00 N ATOM 1064 CA GLY A 68 -1.428 10.615 3.222 1.00 0.00 C ATOM 1065 C GLY A 68 -1.468 10.433 4.744 1.00 0.00 C ATOM 1066 O GLY A 68 -0.617 10.982 5.447 1.00 0.00 O ATOM 0 H GLY A 68 -2.829 9.888 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.812 9.823 2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.931 11.560 3.000 1.00 0.00 H new ATOM 1070 N SER A 69 -2.455 9.734 5.274 1.00 0.00 N ATOM 1071 CA SER A 69 -2.534 9.534 6.743 1.00 0.00 C ATOM 1072 C SER A 69 -3.262 8.206 7.140 1.00 0.00 C ATOM 1073 O SER A 69 -4.009 8.200 8.127 1.00 0.00 O ATOM 1074 CB SER A 69 -3.323 10.730 7.341 1.00 0.00 C ATOM 1075 OG SER A 69 -2.720 11.982 6.988 1.00 0.00 O ATOM 0 H SER A 69 -3.206 9.297 4.739 1.00 0.00 H new ATOM 0 HA SER A 69 -1.517 9.471 7.131 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.352 10.706 6.982 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.362 10.636 8.426 1.00 0.00 H new ATOM 0 HG SER A 69 -3.239 12.716 7.377 1.00 0.00 H new ATOM 1081 N TYR A 70 -2.960 7.057 6.467 1.00 0.00 N ATOM 1082 CA TYR A 70 -3.787 5.838 6.643 1.00 0.00 C ATOM 1083 C TYR A 70 -3.282 4.665 5.770 1.00 0.00 C ATOM 1084 O TYR A 70 -3.987 3.663 5.592 1.00 0.00 O ATOM 1085 CB TYR A 70 -5.243 6.152 6.234 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.419 6.510 4.759 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -4.985 7.717 4.246 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -6.023 5.633 3.904 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -5.149 8.027 2.925 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -6.196 5.933 2.563 1.00 0.00 C ATOM 1091 CZ TYR A 70 -5.754 7.143 2.088 1.00 0.00 C ATOM 1092 OH TYR A 70 -5.920 7.474 0.761 1.00 0.00 O ATOM 0 H TYR A 70 -2.177 6.955 5.821 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.722 5.543 7.690 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.867 5.288 6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.609 6.979 6.843 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.507 8.430 4.902 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.374 4.684 4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.798 8.975 2.546 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.672 5.225 1.900 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.833 7.254 0.481 1.00 0.00 H new ATOM 1102 N ALA A 71 -2.068 4.754 5.283 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.592 3.797 4.296 1.00 0.00 C ATOM 1104 C ALA A 71 -0.700 2.684 4.885 1.00 0.00 C ATOM 1105 O ALA A 71 -0.728 1.493 4.454 1.00 0.00 O ATOM 1106 CB ALA A 71 -0.839 4.547 3.228 1.00 0.00 C ATOM 0 H ALA A 71 -1.392 5.470 5.547 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.466 3.291 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.474 3.845 2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.503 5.270 2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.006 5.069 3.677 1.00 0.00 H new ATOM 1112 N TRP A 72 0.065 2.991 5.874 1.00 0.00 N ATOM 1113 CA TRP A 72 0.998 2.006 6.294 1.00 0.00 C ATOM 1114 C TRP A 72 0.420 1.069 7.352 1.00 0.00 C ATOM 1115 O TRP A 72 0.929 -0.037 7.631 1.00 0.00 O ATOM 1116 CB TRP A 72 2.457 2.551 6.391 1.00 0.00 C ATOM 1117 CG TRP A 72 2.830 3.114 5.002 1.00 0.00 C ATOM 1118 CD1 TRP A 72 2.524 2.522 3.818 1.00 0.00 C ATOM 1119 CD2 TRP A 72 3.520 4.353 4.622 1.00 0.00 C ATOM 1120 NE1 TRP A 72 2.891 3.323 2.785 1.00 0.00 N ATOM 1121 CE2 TRP A 72 3.497 4.405 3.219 1.00 0.00 C ATOM 1122 CE3 TRP A 72 4.119 5.405 5.286 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 4.026 5.446 2.477 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 4.653 6.444 4.548 1.00 0.00 C ATOM 1125 CH2 TRP A 72 4.593 6.453 3.138 1.00 0.00 C ATOM 0 H TRP A 72 0.068 3.873 6.387 1.00 0.00 H new ATOM 0 HA TRP A 72 1.170 1.271 5.507 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.527 3.328 7.152 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.145 1.757 6.681 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.056 1.554 3.714 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.719 3.113 1.802 1.00 0.00 H new ATOM 0 HE3 TRP A 72 4.169 5.416 6.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 3.981 5.442 1.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.127 7.267 5.062 1.00 0.00 H new ATOM 0 HH2 TRP A 72 5.011 7.285 2.590 1.00 0.00 H new ATOM 1136 N GLU A 73 -0.752 1.461 7.826 1.00 0.00 N ATOM 1137 CA GLU A 73 -1.592 0.560 8.556 1.00 0.00 C ATOM 1138 C GLU A 73 -2.185 -0.432 7.547 1.00 0.00 C ATOM 1139 O GLU A 73 -2.491 -1.597 7.893 1.00 0.00 O ATOM 1140 CB GLU A 73 -2.678 1.302 9.310 1.00 0.00 C ATOM 1141 CG GLU A 73 -2.135 2.125 10.454 1.00 0.00 C ATOM 1142 CD GLU A 73 -3.145 3.077 10.987 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -3.945 2.691 11.843 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -3.157 4.248 10.537 1.00 0.00 O ATOM 0 H GLU A 73 -1.132 2.400 7.712 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.011 0.029 9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.213 1.955 8.620 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.402 0.584 9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.806 1.461 11.253 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.258 2.678 10.118 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.305 0.018 6.259 1.00 0.00 N ATOM 1152 CA ILE A 74 -2.687 -0.895 5.207 1.00 0.00 C ATOM 1153 C ILE A 74 -1.548 -1.940 5.071 1.00 0.00 C ATOM 1154 O ILE A 74 -1.794 -3.146 4.881 1.00 0.00 O ATOM 1155 CB ILE A 74 -2.996 -0.255 3.775 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.181 0.723 3.769 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.317 -1.381 2.832 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.311 1.505 2.467 1.00 0.00 C ATOM 0 H ILE A 74 -2.143 0.980 5.961 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.643 -1.321 5.510 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.115 0.316 3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.102 0.168 3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.069 1.424 4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.533 -0.977 1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.464 -2.057 2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.186 -1.926 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.167 2.177 2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.405 2.087 2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.454 0.811 1.639 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.289 -1.463 5.221 1.00 0.00 N ATOM 1171 CA LYS A 75 0.886 -2.381 5.214 1.00 0.00 C ATOM 1172 C LYS A 75 0.751 -3.468 6.336 1.00 0.00 C ATOM 1173 O LYS A 75 1.041 -4.737 6.139 1.00 0.00 O ATOM 1174 CB LYS A 75 2.202 -1.586 5.344 1.00 0.00 C ATOM 1175 CG LYS A 75 3.472 -2.429 5.303 1.00 0.00 C ATOM 1176 CD LYS A 75 4.723 -1.556 5.348 1.00 0.00 C ATOM 1177 CE LYS A 75 4.858 -0.795 6.666 1.00 0.00 C ATOM 1178 NZ LYS A 75 5.060 -1.698 7.821 1.00 0.00 N ATOM 0 H LYS A 75 -0.059 -0.477 5.345 1.00 0.00 H new ATOM 0 HA LYS A 75 0.911 -2.902 4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.246 -0.851 4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.182 -1.031 6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.479 -3.120 6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.480 -3.033 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.604 -2.181 5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.696 -0.845 4.523 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.697 -0.103 6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.963 -0.195 6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.297 -1.136 8.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.188 -2.236 7.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.837 -2.357 7.614 1.00 0.00 H new ATOM 1192 N ASP A 76 0.294 -3.018 7.488 1.00 0.00 N ATOM 1193 CA ASP A 76 -0.006 -3.973 8.548 1.00 0.00 C ATOM 1194 C ASP A 76 -1.037 -5.000 8.068 1.00 0.00 C ATOM 1195 O ASP A 76 -0.830 -6.191 8.251 1.00 0.00 O ATOM 1196 CB ASP A 76 -0.488 -3.309 9.825 1.00 0.00 C ATOM 1197 CG ASP A 76 -0.749 -4.316 10.930 1.00 0.00 C ATOM 1198 OD1 ASP A 76 0.211 -4.933 11.432 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -1.923 -4.478 11.337 1.00 0.00 O ATOM 0 H ASP A 76 0.126 -2.038 7.714 1.00 0.00 H new ATOM 0 HA ASP A 76 0.931 -4.477 8.786 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.257 -2.588 10.161 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.402 -2.751 9.620 1.00 0.00 H new ATOM 1204 N PHE A 77 -2.121 -4.546 7.383 1.00 0.00 N ATOM 1205 CA PHE A 77 -3.124 -5.518 6.868 1.00 0.00 C ATOM 1206 C PHE A 77 -2.505 -6.478 5.851 1.00 0.00 C ATOM 1207 O PHE A 77 -2.978 -7.577 5.695 1.00 0.00 O ATOM 1208 CB PHE A 77 -4.380 -4.908 6.237 1.00 0.00 C ATOM 1209 CG PHE A 77 -5.052 -3.815 7.023 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -5.443 -4.023 8.336 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -5.318 -2.589 6.437 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -6.078 -3.025 9.049 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -5.950 -1.585 7.146 1.00 0.00 C ATOM 1214 CZ PHE A 77 -6.329 -1.804 8.454 1.00 0.00 C ATOM 0 H PHE A 77 -2.318 -3.566 7.182 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.443 -6.040 7.770 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.114 -4.512 5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.103 -5.706 6.072 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.249 -4.975 8.807 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.028 -2.415 5.411 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.378 -3.199 10.072 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.146 -0.632 6.677 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.821 -1.022 9.012 1.00 0.00 H new ATOM 1224 N LEU A 78 -1.467 -6.053 5.152 1.00 0.00 N ATOM 1225 CA LEU A 78 -0.746 -6.950 4.219 1.00 0.00 C ATOM 1226 C LEU A 78 -0.278 -8.160 4.963 1.00 0.00 C ATOM 1227 O LEU A 78 -0.664 -9.336 4.655 1.00 0.00 O ATOM 1228 CB LEU A 78 0.500 -6.313 3.728 1.00 0.00 C ATOM 1229 CG LEU A 78 0.406 -4.959 3.180 1.00 0.00 C ATOM 1230 CD1 LEU A 78 1.778 -4.487 2.890 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -0.412 -4.957 1.970 1.00 0.00 C ATOM 0 H LEU A 78 -1.095 -5.105 5.200 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.430 -7.182 3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.212 -6.291 4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.924 -6.957 2.958 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.070 -4.291 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.737 -3.478 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.363 -4.481 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.247 -5.154 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.473 -3.943 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.040 -5.612 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.414 -5.315 2.208 1.00 0.00 H new ATOM 1243 N VAL A 79 0.540 -7.910 5.986 1.00 0.00 N ATOM 1244 CA VAL A 79 1.014 -9.061 6.774 1.00 0.00 C ATOM 1245 C VAL A 79 -0.014 -9.587 7.721 1.00 0.00 C ATOM 1246 O VAL A 79 0.179 -10.608 8.398 1.00 0.00 O ATOM 1247 CB VAL A 79 2.379 -8.906 7.422 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.413 -9.242 6.390 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.577 -7.487 7.928 1.00 0.00 C ATOM 0 H VAL A 79 0.873 -6.991 6.279 1.00 0.00 H new ATOM 0 HA VAL A 79 1.175 -9.827 6.015 1.00 0.00 H new ATOM 0 HB VAL A 79 2.465 -9.573 8.280 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.407 -9.140 6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.269 -10.268 6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.316 -8.563 5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.561 -7.399 8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.503 -6.790 7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.809 -7.253 8.666 1.00 0.00 H new ATOM 1259 N SER A 80 -1.096 -8.900 7.755 1.00 0.00 N ATOM 1260 CA SER A 80 -2.252 -9.328 8.453 1.00 0.00 C ATOM 1261 C SER A 80 -3.110 -10.193 7.495 1.00 0.00 C ATOM 1262 O SER A 80 -4.034 -10.893 7.948 1.00 0.00 O ATOM 1263 CB SER A 80 -3.032 -8.100 8.969 1.00 0.00 C ATOM 1264 OG SER A 80 -4.052 -8.411 9.912 1.00 0.00 O ATOM 0 H SER A 80 -1.205 -8.001 7.286 1.00 0.00 H new ATOM 0 HA SER A 80 -1.981 -9.930 9.320 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.330 -7.403 9.427 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.482 -7.586 8.120 1.00 0.00 H new ATOM 0 HG SER A 80 -4.500 -7.586 10.194 1.00 0.00 H new ATOM 1270 N GLN A 81 -2.837 -10.168 6.143 1.00 0.00 N ATOM 1271 CA GLN A 81 -3.599 -11.042 5.302 1.00 0.00 C ATOM 1272 C GLN A 81 -2.896 -12.336 5.183 1.00 0.00 C ATOM 1273 O GLN A 81 -3.517 -13.391 5.301 1.00 0.00 O ATOM 1274 CB GLN A 81 -3.913 -10.428 3.962 1.00 0.00 C ATOM 1275 CG GLN A 81 -4.955 -9.325 4.040 1.00 0.00 C ATOM 1276 CD GLN A 81 -6.290 -9.820 4.547 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -6.655 -10.986 4.356 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -7.043 -8.946 5.144 1.00 0.00 N ATOM 0 H GLN A 81 -2.141 -9.584 5.680 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.570 -11.214 5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.997 -10.024 3.531 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.267 -11.207 3.286 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.592 -8.534 4.696 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.087 -8.884 3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.707 -7.993 5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.971 -9.213 5.474 1.00 0.00 H new ATOM 1287 N ASP A 82 -1.589 -12.249 4.995 1.00 0.00 N ATOM 1288 CA ASP A 82 -0.703 -13.436 5.000 1.00 0.00 C ATOM 1289 C ASP A 82 0.776 -13.083 4.854 1.00 0.00 C ATOM 1290 O ASP A 82 1.461 -12.994 5.880 1.00 0.00 O ATOM 1291 CB ASP A 82 -1.185 -14.663 4.143 1.00 0.00 C ATOM 1292 CG ASP A 82 -0.205 -15.819 4.136 1.00 0.00 C ATOM 1293 OD1 ASP A 82 -0.118 -16.548 5.147 1.00 0.00 O ATOM 1294 OD2 ASP A 82 0.439 -16.071 3.101 1.00 0.00 O ATOM 0 H ASP A 82 -1.101 -11.368 4.835 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.803 -13.832 6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.143 -15.012 4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.355 -14.335 3.117 1.00 0.00 H new ATOM 1299 N ARG A 83 1.307 -12.855 3.647 1.00 0.00 N ATOM 1300 CA ARG A 83 2.678 -12.446 3.542 1.00 0.00 C ATOM 1301 C ARG A 83 2.764 -11.186 2.710 1.00 0.00 C ATOM 1302 O ARG A 83 1.967 -10.979 1.796 1.00 0.00 O ATOM 1303 CB ARG A 83 3.564 -13.548 2.931 1.00 0.00 C ATOM 1304 CG ARG A 83 3.580 -14.859 3.698 1.00 0.00 C ATOM 1305 CD ARG A 83 4.591 -15.842 3.122 1.00 0.00 C ATOM 1306 NE ARG A 83 4.303 -16.237 1.730 1.00 0.00 N ATOM 1307 CZ ARG A 83 5.106 -17.007 0.973 1.00 0.00 C ATOM 1308 NH1 ARG A 83 6.286 -17.409 1.447 1.00 0.00 N ATOM 1309 NH2 ARG A 83 4.730 -17.371 -0.250 1.00 0.00 N ATOM 0 H ARG A 83 0.809 -12.948 2.762 1.00 0.00 H new ATOM 0 HA ARG A 83 3.051 -12.253 4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.224 -13.744 1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.585 -13.174 2.860 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.818 -14.665 4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.586 -15.305 3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.585 -15.396 3.166 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.614 -16.735 3.747 1.00 0.00 H new ATOM 0 HE ARG A 83 3.434 -15.903 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.580 -17.133 2.384 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.894 -17.993 0.873 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.829 -17.066 -0.618 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.343 -17.955 -0.819 1.00 0.00 H new ATOM 1323 N CYS A 84 3.703 -10.353 3.015 1.00 0.00 N ATOM 1324 CA CYS A 84 3.904 -9.150 2.277 1.00 0.00 C ATOM 1325 C CYS A 84 5.424 -9.095 2.022 1.00 0.00 C ATOM 1326 O CYS A 84 6.149 -9.845 2.674 1.00 0.00 O ATOM 1327 CB CYS A 84 3.340 -7.930 3.071 1.00 0.00 C ATOM 1328 SG CYS A 84 4.498 -7.125 4.217 1.00 0.00 S ATOM 0 H CYS A 84 4.356 -10.488 3.787 1.00 0.00 H new ATOM 0 HA CYS A 84 3.371 -9.121 1.327 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.991 -7.186 2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.469 -8.261 3.637 1.00 0.00 H new ATOM 0 HG CYS A 84 3.904 -6.130 4.807 1.00 0.00 H new ATOM 1334 N ALA A 85 5.928 -8.272 1.105 1.00 0.00 N ATOM 1335 CA ALA A 85 7.350 -8.382 0.773 1.00 0.00 C ATOM 1336 C ALA A 85 8.048 -7.075 0.336 1.00 0.00 C ATOM 1337 O ALA A 85 9.072 -6.716 0.912 1.00 0.00 O ATOM 1338 CB ALA A 85 7.612 -9.551 -0.202 1.00 0.00 C ATOM 0 H ALA A 85 5.406 -7.556 0.600 1.00 0.00 H new ATOM 0 HA ALA A 85 7.833 -8.609 1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.677 -9.605 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.291 -10.486 0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.053 -9.388 -1.124 1.00 0.00 H new ATOM 1344 N GLU A 86 7.513 -6.332 -0.619 1.00 0.00 N ATOM 1345 CA GLU A 86 8.260 -5.190 -1.124 1.00 0.00 C ATOM 1346 C GLU A 86 7.369 -4.033 -1.447 1.00 0.00 C ATOM 1347 O GLU A 86 6.491 -4.143 -2.275 1.00 0.00 O ATOM 1348 CB GLU A 86 9.048 -5.586 -2.370 1.00 0.00 C ATOM 1349 CG GLU A 86 9.713 -4.430 -3.101 1.00 0.00 C ATOM 1350 CD GLU A 86 10.332 -4.863 -4.380 1.00 0.00 C ATOM 1351 OE1 GLU A 86 11.424 -5.468 -4.364 1.00 0.00 O ATOM 1352 OE2 GLU A 86 9.725 -4.612 -5.447 1.00 0.00 O ATOM 0 H GLU A 86 6.600 -6.488 -1.047 1.00 0.00 H new ATOM 0 HA GLU A 86 8.943 -4.878 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.815 -6.305 -2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.376 -6.095 -3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.974 -3.654 -3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.476 -3.987 -2.461 1.00 0.00 H new ATOM 1359 N VAL A 87 7.610 -2.939 -0.823 1.00 0.00 N ATOM 1360 CA VAL A 87 6.878 -1.754 -1.114 1.00 0.00 C ATOM 1361 C VAL A 87 7.763 -0.723 -1.771 1.00 0.00 C ATOM 1362 O VAL A 87 8.826 -0.372 -1.244 1.00 0.00 O ATOM 1363 CB VAL A 87 6.206 -1.117 0.153 1.00 0.00 C ATOM 1364 CG1 VAL A 87 5.090 -1.975 0.661 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.213 -0.879 1.278 1.00 0.00 C ATOM 0 H VAL A 87 8.318 -2.836 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 87 6.083 -2.057 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 87 5.806 -0.153 -0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.643 -1.509 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.333 -2.085 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.479 -2.957 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.704 -0.437 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.661 -1.828 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.993 -0.202 0.931 1.00 0.00 H new ATOM 1375 N THR A 88 7.412 -0.291 -2.948 1.00 0.00 N ATOM 1376 CA THR A 88 8.033 0.879 -3.418 1.00 0.00 C ATOM 1377 C THR A 88 7.085 2.000 -3.358 1.00 0.00 C ATOM 1378 O THR A 88 5.982 1.994 -4.007 1.00 0.00 O ATOM 1379 CB THR A 88 8.791 0.819 -4.734 1.00 0.00 C ATOM 1380 OG1 THR A 88 8.023 0.210 -5.760 1.00 0.00 O ATOM 1381 CG2 THR A 88 10.107 0.110 -4.561 1.00 0.00 C ATOM 0 H THR A 88 6.725 -0.722 -3.567 1.00 0.00 H new ATOM 0 HA THR A 88 8.862 1.033 -2.727 1.00 0.00 H new ATOM 0 HB THR A 88 8.988 1.846 -5.041 1.00 0.00 H new ATOM 0 HG1 THR A 88 8.376 0.476 -6.635 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.632 0.079 -5.516 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.714 0.644 -3.830 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.929 -0.907 -4.212 1.00 0.00 H new ATOM 1389 N LEU A 89 7.474 2.885 -2.505 1.00 0.00 N ATOM 1390 CA LEU A 89 6.781 4.047 -2.119 1.00 0.00 C ATOM 1391 C LEU A 89 6.989 5.101 -3.194 1.00 0.00 C ATOM 1392 O LEU A 89 8.039 5.147 -3.828 1.00 0.00 O ATOM 1393 CB LEU A 89 7.404 4.579 -0.799 1.00 0.00 C ATOM 1394 CG LEU A 89 7.490 3.680 0.484 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.185 3.172 0.886 1.00 0.00 C ATOM 1396 CD2 LEU A 89 8.456 2.532 0.363 1.00 0.00 C ATOM 0 H LEU A 89 8.368 2.797 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 89 5.721 3.831 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.420 4.896 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.846 5.474 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 89 7.873 4.348 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.294 2.555 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.520 4.008 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.764 2.572 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.458 1.959 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.153 1.887 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.458 2.918 0.173 1.00 0.00 H new