USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 694 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.0217 X(o=0.022,f=0) USER MOD Single : A 23 MET CE :methyl -143:sc= -5.72 (180deg=-12!) USER MOD Single : A 25 HIS : no HD1:sc= -2.67! C(o=-2.7!,f=-3.5!) USER MOD Single : A 27 MET CE :methyl 137:sc= -1.53 (180deg=-4.46!) USER MOD Single : A 37 ASN : amide:sc= -0.646 X(o=-0.65,f=-0.18) USER MOD Single : A 47 CYS SG : rot 92:sc= -6.72! USER MOD Single : A 48 SER OG : rot 21:sc= 0.0597 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= -0.07 (180deg=-0.0798) USER MOD Single : A 62 HIS : no HD1:sc= -0.443 K(o=-0.44,f=-1.9) USER MOD Single : A 68 SER OG : rot 180:sc= -0.232 USER MOD Single : A 70 SER OG : rot -160:sc= -0.8 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -61:sc= -4.85! USER MOD Single : A 82 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.4) USER MOD Single : A 83 THR OG1 : rot 114:sc= 0.54 USER MOD Single : A 93 GLN : amide:sc= -2.15! C(o=-2.2!,f=-2.5!) USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.000619 USER MOD Single : A 97 GLN : amide:sc= -9.62! C(o=-9.6!,f=-4.3!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -168:sc= -0.11! USER MOD ----------------------------------------------------------------- ATOM 219 N VAL A 17 9.321 10.551 -2.092 1.00 0.00 N ATOM 220 CA VAL A 17 8.587 9.575 -1.296 1.00 0.00 C ATOM 221 C VAL A 17 7.471 10.243 -0.500 1.00 0.00 C ATOM 222 O VAL A 17 7.680 11.278 0.133 1.00 0.00 O ATOM 223 CB VAL A 17 9.519 8.827 -0.324 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.740 7.794 0.475 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.665 8.175 -1.082 1.00 0.00 C ATOM 0 HA VAL A 17 8.154 8.859 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 17 9.941 9.548 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.415 7.276 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.958 8.292 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.288 7.073 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.314 7.651 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.265 7.465 -1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.239 8.941 -1.604 1.00 0.00 H new ATOM 235 N VAL A 18 6.286 9.643 -0.535 1.00 0.00 N ATOM 236 CA VAL A 18 5.136 10.179 0.185 1.00 0.00 C ATOM 237 C VAL A 18 4.730 9.261 1.332 1.00 0.00 C ATOM 238 O VAL A 18 4.889 8.042 1.252 1.00 0.00 O ATOM 239 CB VAL A 18 3.930 10.377 -0.752 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.378 10.961 -2.083 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.195 9.061 -0.959 1.00 0.00 C ATOM 0 H VAL A 18 6.096 8.786 -1.054 1.00 0.00 H new ATOM 0 HA VAL A 18 5.436 11.147 0.587 1.00 0.00 H new ATOM 0 HB VAL A 18 3.242 11.082 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.512 11.094 -2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.857 11.926 -1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.087 10.283 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.346 9.219 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.873 8.332 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.840 8.688 0.001 1.00 0.00 H new ATOM 251 N ILE A 19 4.203 9.853 2.398 1.00 0.00 N ATOM 252 CA ILE A 19 3.772 9.089 3.562 1.00 0.00 C ATOM 253 C ILE A 19 2.257 9.145 3.726 1.00 0.00 C ATOM 254 O ILE A 19 1.616 10.119 3.329 1.00 0.00 O ATOM 255 CB ILE A 19 4.437 9.603 4.852 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.928 9.855 4.618 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.234 8.609 5.985 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.641 8.694 3.961 1.00 0.00 C ATOM 0 H ILE A 19 4.064 10.860 2.480 1.00 0.00 H new ATOM 0 HA ILE A 19 4.079 8.057 3.393 1.00 0.00 H new ATOM 0 HB ILE A 19 3.968 10.546 5.134 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.045 10.742 3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.406 10.071 5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.710 8.987 6.890 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.167 8.475 6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.679 7.652 5.713 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.694 8.943 3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.555 7.810 4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.189 8.492 2.990 1.00 0.00 H new ATOM 270 N ILE A 20 1.692 8.097 4.316 1.00 0.00 N ATOM 271 CA ILE A 20 0.252 8.029 4.536 1.00 0.00 C ATOM 272 C ILE A 20 -0.066 7.539 5.944 1.00 0.00 C ATOM 273 O ILE A 20 0.605 6.652 6.471 1.00 0.00 O ATOM 274 CB ILE A 20 -0.430 7.100 3.515 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.214 7.261 2.136 1.00 0.00 C ATOM 276 CG2 ILE A 20 -1.921 7.393 3.446 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.245 8.498 1.395 1.00 0.00 C ATOM 0 H ILE A 20 2.209 7.284 4.650 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.135 9.040 4.410 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.297 6.068 3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.297 7.298 2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.012 6.381 1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.389 6.728 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.369 7.233 4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.075 8.428 3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.252 8.547 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.324 8.454 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.006 9.385 1.977 1.00 0.00 H new ATOM 289 N LYS A 21 -1.095 8.122 6.549 1.00 0.00 N ATOM 290 CA LYS A 21 -1.507 7.744 7.896 1.00 0.00 C ATOM 291 C LYS A 21 -2.975 7.330 7.920 1.00 0.00 C ATOM 292 O LYS A 21 -3.774 7.795 7.108 1.00 0.00 O ATOM 293 CB LYS A 21 -1.277 8.905 8.866 1.00 0.00 C ATOM 294 CG LYS A 21 0.058 8.838 9.589 1.00 0.00 C ATOM 295 CD LYS A 21 1.222 8.993 8.624 1.00 0.00 C ATOM 296 CE LYS A 21 2.553 9.032 9.359 1.00 0.00 C ATOM 297 NZ LYS A 21 2.797 10.356 9.995 1.00 0.00 N ATOM 0 H LYS A 21 -1.660 8.859 6.127 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.903 6.892 8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.336 9.844 8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.080 8.916 9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.104 9.622 10.345 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.142 7.886 10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.221 8.165 7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.097 9.909 8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.569 8.254 10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.360 8.810 8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.714 10.342 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.807 11.096 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.041 10.557 10.680 1.00 0.00 H new ATOM 311 N ASN A 22 -3.323 6.455 8.858 1.00 0.00 N ATOM 312 CA ASN A 22 -4.695 5.980 8.988 1.00 0.00 C ATOM 313 C ASN A 22 -5.168 5.322 7.695 1.00 0.00 C ATOM 314 O ASN A 22 -6.195 5.703 7.133 1.00 0.00 O ATOM 315 CB ASN A 22 -5.625 7.138 9.355 1.00 0.00 C ATOM 316 CG ASN A 22 -6.805 6.689 10.195 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.642 6.279 11.344 1.00 0.00 O ATOM 318 ND2 ASN A 22 -8.001 6.764 9.623 1.00 0.00 N ATOM 0 H ASN A 22 -2.674 6.061 9.539 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.722 5.236 9.784 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.061 7.894 9.901 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.991 7.610 8.443 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.832 6.475 10.139 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.089 7.110 8.668 1.00 0.00 H new ATOM 325 N MET A 23 -4.413 4.333 7.230 1.00 0.00 N ATOM 326 CA MET A 23 -4.756 3.621 6.005 1.00 0.00 C ATOM 327 C MET A 23 -4.940 2.131 6.275 1.00 0.00 C ATOM 328 O MET A 23 -5.652 1.441 5.545 1.00 0.00 O ATOM 329 CB MET A 23 -3.670 3.829 4.947 1.00 0.00 C ATOM 330 CG MET A 23 -2.264 3.562 5.460 1.00 0.00 C ATOM 331 SD MET A 23 -1.118 3.114 4.142 1.00 0.00 S ATOM 332 CE MET A 23 -2.028 1.798 3.335 1.00 0.00 C ATOM 0 H MET A 23 -3.559 4.006 7.683 1.00 0.00 H new ATOM 0 HA MET A 23 -5.698 4.024 5.633 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.869 3.173 4.099 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.725 4.853 4.578 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.893 4.450 5.972 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.296 2.759 6.197 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.334 1.025 3.005 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.744 1.368 4.036 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.561 2.200 2.473 1.00 0.00 H new ATOM 342 N PHE A 24 -4.293 1.640 7.327 1.00 0.00 N ATOM 343 CA PHE A 24 -4.385 0.232 7.693 1.00 0.00 C ATOM 344 C PHE A 24 -4.227 0.049 9.199 1.00 0.00 C ATOM 345 O PHE A 24 -4.099 1.022 9.944 1.00 0.00 O ATOM 346 CB PHE A 24 -3.317 -0.579 6.955 1.00 0.00 C ATOM 347 CG PHE A 24 -1.912 -0.187 7.314 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.332 -0.638 8.489 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.172 0.632 6.477 1.00 0.00 C ATOM 350 CE1 PHE A 24 -0.040 -0.279 8.822 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.121 0.995 6.805 1.00 0.00 C ATOM 352 CZ PHE A 24 0.688 0.538 7.979 1.00 0.00 C ATOM 0 H PHE A 24 -3.699 2.197 7.941 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.372 -0.129 7.403 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.458 -1.637 7.176 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.457 -0.456 5.881 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.896 -1.277 9.152 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.610 0.991 5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.400 -0.637 9.741 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.687 1.635 6.144 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.698 0.819 8.237 1.00 0.00 H new ATOM 362 N HIS A 25 -4.237 -1.204 9.642 1.00 0.00 N ATOM 363 CA HIS A 25 -4.095 -1.516 11.060 1.00 0.00 C ATOM 364 C HIS A 25 -3.390 -2.854 11.254 1.00 0.00 C ATOM 365 O HIS A 25 -3.621 -3.817 10.522 1.00 0.00 O ATOM 366 CB HIS A 25 -5.466 -1.545 11.737 1.00 0.00 C ATOM 367 CG HIS A 25 -5.426 -1.173 13.187 1.00 0.00 C ATOM 368 ND1 HIS A 25 -5.464 -2.103 14.204 1.00 0.00 N ATOM 369 CD2 HIS A 25 -5.349 0.037 13.789 1.00 0.00 C ATOM 370 CE1 HIS A 25 -5.414 -1.482 15.369 1.00 0.00 C ATOM 371 NE2 HIS A 25 -5.343 -0.182 15.144 1.00 0.00 N ATOM 0 H HIS A 25 -4.342 -2.020 9.039 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.488 -0.736 11.519 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.135 -0.862 11.214 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.890 -2.544 11.638 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.301 0.996 13.295 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -5.429 -1.956 16.339 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.292 0.542 15.861 1.00 0.00 H new ATOM 379 N PRO A 26 -2.509 -2.919 12.263 1.00 0.00 N ATOM 380 CA PRO A 26 -1.752 -4.135 12.577 1.00 0.00 C ATOM 381 C PRO A 26 -2.637 -5.237 13.149 1.00 0.00 C ATOM 382 O PRO A 26 -2.569 -6.387 12.718 1.00 0.00 O ATOM 383 CB PRO A 26 -0.741 -3.662 13.625 1.00 0.00 C ATOM 384 CG PRO A 26 -1.379 -2.475 14.259 1.00 0.00 C ATOM 385 CD PRO A 26 -2.184 -1.810 13.176 1.00 0.00 C ATOM 0 HA PRO A 26 -1.294 -4.571 11.689 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.538 -4.442 14.359 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.212 -3.401 13.166 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.016 -2.773 15.092 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.627 -1.795 14.660 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.084 -1.341 13.575 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.613 -1.029 12.673 1.00 0.00 H new ATOM 393 N MET A 27 -3.467 -4.877 14.123 1.00 0.00 N ATOM 394 CA MET A 27 -4.367 -5.837 14.753 1.00 0.00 C ATOM 395 C MET A 27 -5.284 -6.482 13.719 1.00 0.00 C ATOM 396 O MET A 27 -5.966 -7.466 14.008 1.00 0.00 O ATOM 397 CB MET A 27 -5.203 -5.150 15.835 1.00 0.00 C ATOM 398 CG MET A 27 -4.370 -4.408 16.867 1.00 0.00 C ATOM 399 SD MET A 27 -3.752 -5.491 18.170 1.00 0.00 S ATOM 400 CE MET A 27 -2.415 -6.321 17.314 1.00 0.00 C ATOM 0 H MET A 27 -3.535 -3.929 14.493 1.00 0.00 H new ATOM 0 HA MET A 27 -3.761 -6.618 15.213 1.00 0.00 H new ATOM 0 HB2 MET A 27 -5.889 -4.448 15.361 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.812 -5.898 16.342 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.528 -3.927 16.370 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.972 -3.616 17.313 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.545 -6.381 17.969 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.730 -7.327 17.036 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.155 -5.761 16.416 1.00 0.00 H new ATOM 410 N ASP A 28 -5.295 -5.923 12.514 1.00 0.00 N ATOM 411 CA ASP A 28 -6.128 -6.445 11.436 1.00 0.00 C ATOM 412 C ASP A 28 -5.413 -7.568 10.692 1.00 0.00 C ATOM 413 O ASP A 28 -6.022 -8.577 10.336 1.00 0.00 O ATOM 414 CB ASP A 28 -6.499 -5.326 10.462 1.00 0.00 C ATOM 415 CG ASP A 28 -7.727 -4.556 10.904 1.00 0.00 C ATOM 416 OD1 ASP A 28 -8.648 -5.182 11.470 1.00 0.00 O ATOM 417 OD2 ASP A 28 -7.768 -3.328 10.685 1.00 0.00 O ATOM 0 H ASP A 28 -4.737 -5.108 12.259 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.039 -6.849 11.877 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.658 -4.639 10.366 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.677 -5.752 9.475 1.00 0.00 H new ATOM 422 N PHE A 29 -4.117 -7.386 10.460 1.00 0.00 N ATOM 423 CA PHE A 29 -3.319 -8.383 9.756 1.00 0.00 C ATOM 424 C PHE A 29 -3.223 -9.673 10.566 1.00 0.00 C ATOM 425 O PHE A 29 -3.047 -10.756 10.008 1.00 0.00 O ATOM 426 CB PHE A 29 -1.917 -7.839 9.475 1.00 0.00 C ATOM 427 CG PHE A 29 -1.912 -6.420 8.982 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.745 -6.031 7.945 1.00 0.00 C ATOM 429 CD2 PHE A 29 -1.076 -5.476 9.555 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.742 -4.726 7.489 1.00 0.00 C ATOM 431 CE2 PHE A 29 -1.069 -4.170 9.103 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.904 -3.794 8.070 1.00 0.00 C ATOM 0 H PHE A 29 -3.597 -6.557 10.749 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.812 -8.604 8.809 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.323 -7.901 10.387 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.431 -8.474 8.734 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.403 -6.755 7.488 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.422 -5.764 10.365 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.394 -4.435 6.679 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.411 -3.444 9.558 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.902 -2.773 7.717 1.00 0.00 H new ATOM 442 N GLU A 30 -3.339 -9.548 11.884 1.00 0.00 N ATOM 443 CA GLU A 30 -3.264 -10.703 12.771 1.00 0.00 C ATOM 444 C GLU A 30 -4.481 -11.606 12.592 1.00 0.00 C ATOM 445 O GLU A 30 -4.420 -12.807 12.854 1.00 0.00 O ATOM 446 CB GLU A 30 -3.162 -10.249 14.229 1.00 0.00 C ATOM 447 CG GLU A 30 -2.013 -9.290 14.488 1.00 0.00 C ATOM 448 CD GLU A 30 -0.732 -10.004 14.875 1.00 0.00 C ATOM 449 OE1 GLU A 30 -0.598 -10.380 16.059 1.00 0.00 O ATOM 450 OE2 GLU A 30 0.135 -10.187 13.996 1.00 0.00 O ATOM 0 H GLU A 30 -3.485 -8.659 12.361 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.370 -11.271 12.512 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.097 -9.769 14.518 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.044 -11.125 14.866 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.835 -8.692 13.594 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.294 -8.599 15.283 1.00 0.00 H new ATOM 457 N ASP A 31 -5.585 -11.019 12.145 1.00 0.00 N ATOM 458 CA ASP A 31 -6.817 -11.769 11.930 1.00 0.00 C ATOM 459 C ASP A 31 -6.867 -12.339 10.516 1.00 0.00 C ATOM 460 O ASP A 31 -7.444 -13.401 10.284 1.00 0.00 O ATOM 461 CB ASP A 31 -8.034 -10.875 12.176 1.00 0.00 C ATOM 462 CG ASP A 31 -9.309 -11.462 11.604 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.458 -12.702 11.635 1.00 0.00 O ATOM 464 OD2 ASP A 31 -10.159 -10.682 11.126 1.00 0.00 O ATOM 0 H ASP A 31 -5.652 -10.025 11.924 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.836 -12.598 12.638 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.157 -10.721 13.248 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.857 -9.895 11.732 1.00 0.00 H new ATOM 469 N ASP A 32 -6.260 -11.624 9.574 1.00 0.00 N ATOM 470 CA ASP A 32 -6.235 -12.058 8.182 1.00 0.00 C ATOM 471 C ASP A 32 -5.241 -11.231 7.373 1.00 0.00 C ATOM 472 O ASP A 32 -5.152 -10.011 7.513 1.00 0.00 O ATOM 473 CB ASP A 32 -7.631 -11.948 7.566 1.00 0.00 C ATOM 474 CG ASP A 32 -8.444 -13.215 7.743 1.00 0.00 C ATOM 475 OD1 ASP A 32 -7.849 -14.313 7.698 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.674 -13.109 7.928 1.00 0.00 O ATOM 0 H ASP A 32 -5.779 -10.742 9.749 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.917 -13.100 8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.162 -11.113 8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.539 -11.724 6.503 1.00 0.00 H new ATOM 481 N PRO A 33 -4.474 -11.909 6.506 1.00 0.00 N ATOM 482 CA PRO A 33 -3.473 -11.256 5.657 1.00 0.00 C ATOM 483 C PRO A 33 -4.106 -10.392 4.573 1.00 0.00 C ATOM 484 O PRO A 33 -3.596 -9.321 4.241 1.00 0.00 O ATOM 485 CB PRO A 33 -2.718 -12.432 5.032 1.00 0.00 C ATOM 486 CG PRO A 33 -3.690 -13.560 5.052 1.00 0.00 C ATOM 487 CD PRO A 33 -4.526 -13.364 6.287 1.00 0.00 C ATOM 0 HA PRO A 33 -2.837 -10.577 6.225 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.399 -12.202 4.015 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.820 -12.673 5.601 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.311 -13.556 4.156 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.174 -14.520 5.078 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.548 -13.712 6.140 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.122 -13.913 7.137 1.00 0.00 H new ATOM 495 N LEU A 34 -5.220 -10.863 4.023 1.00 0.00 N ATOM 496 CA LEU A 34 -5.924 -10.132 2.975 1.00 0.00 C ATOM 497 C LEU A 34 -5.892 -8.631 3.242 1.00 0.00 C ATOM 498 O LEU A 34 -5.589 -7.837 2.351 1.00 0.00 O ATOM 499 CB LEU A 34 -7.373 -10.613 2.876 1.00 0.00 C ATOM 500 CG LEU A 34 -7.598 -11.910 2.097 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.679 -11.629 0.605 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.489 -12.909 2.395 1.00 0.00 C ATOM 0 H LEU A 34 -5.655 -11.748 4.285 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.418 -10.325 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.760 -10.748 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.965 -9.825 2.410 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.546 -12.344 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.839 -12.563 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.508 -10.950 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.748 -11.172 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.665 -13.826 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.528 -12.484 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.479 -13.134 3.462 1.00 0.00 H new ATOM 514 N VAL A 35 -6.205 -8.247 4.476 1.00 0.00 N ATOM 515 CA VAL A 35 -6.208 -6.842 4.862 1.00 0.00 C ATOM 516 C VAL A 35 -4.972 -6.123 4.333 1.00 0.00 C ATOM 517 O VAL A 35 -5.079 -5.129 3.613 1.00 0.00 O ATOM 518 CB VAL A 35 -6.266 -6.680 6.393 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.325 -5.208 6.773 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.459 -7.434 6.963 1.00 0.00 C ATOM 0 H VAL A 35 -6.460 -8.890 5.225 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.100 -6.396 4.422 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.358 -7.105 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.365 -5.114 7.858 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.437 -4.699 6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.215 -4.755 6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.485 -7.309 8.046 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.379 -7.041 6.530 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.369 -8.493 6.722 1.00 0.00 H new ATOM 530 N LEU A 36 -3.799 -6.632 4.693 1.00 0.00 N ATOM 531 CA LEU A 36 -2.541 -6.040 4.254 1.00 0.00 C ATOM 532 C LEU A 36 -2.375 -6.171 2.743 1.00 0.00 C ATOM 533 O LEU A 36 -1.810 -5.294 2.092 1.00 0.00 O ATOM 534 CB LEU A 36 -1.364 -6.706 4.968 1.00 0.00 C ATOM 535 CG LEU A 36 -0.029 -5.964 4.898 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.101 -4.660 5.677 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.097 -6.841 5.426 1.00 0.00 C ATOM 0 H LEU A 36 -3.693 -7.454 5.288 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.559 -4.980 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.629 -6.838 6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.226 -7.702 4.547 1.00 0.00 H new ATOM 0 HG LEU A 36 0.179 -5.729 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.858 -4.146 5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.880 -4.026 5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.333 -4.872 6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.040 -6.297 5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.895 -7.108 6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.164 -7.748 4.825 1.00 0.00 H new ATOM 549 N ASN A 37 -2.873 -7.274 2.192 1.00 0.00 N ATOM 550 CA ASN A 37 -2.781 -7.520 0.758 1.00 0.00 C ATOM 551 C ASN A 37 -3.511 -6.435 -0.028 1.00 0.00 C ATOM 552 O ASN A 37 -2.903 -5.707 -0.812 1.00 0.00 O ATOM 553 CB ASN A 37 -3.363 -8.893 0.416 1.00 0.00 C ATOM 554 CG ASN A 37 -2.360 -10.012 0.616 1.00 0.00 C ATOM 555 OD1 ASN A 37 -1.240 -9.955 0.109 1.00 0.00 O ATOM 556 ND2 ASN A 37 -2.759 -11.039 1.359 1.00 0.00 N ATOM 0 H ASN A 37 -3.344 -8.011 2.717 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.728 -7.500 0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.239 -9.078 1.038 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.702 -8.893 -0.620 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.127 -11.822 1.528 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.697 -11.044 1.760 1.00 0.00 H new ATOM 563 N GLU A 38 -4.819 -6.334 0.189 1.00 0.00 N ATOM 564 CA GLU A 38 -5.632 -5.339 -0.500 1.00 0.00 C ATOM 565 C GLU A 38 -5.089 -3.933 -0.261 1.00 0.00 C ATOM 566 O GLU A 38 -5.028 -3.116 -1.180 1.00 0.00 O ATOM 567 CB GLU A 38 -7.086 -5.423 -0.031 1.00 0.00 C ATOM 568 CG GLU A 38 -7.240 -5.960 1.382 1.00 0.00 C ATOM 569 CD GLU A 38 -8.437 -5.371 2.104 1.00 0.00 C ATOM 570 OE1 GLU A 38 -8.387 -4.175 2.458 1.00 0.00 O ATOM 571 OE2 GLU A 38 -9.423 -6.108 2.313 1.00 0.00 O ATOM 0 H GLU A 38 -5.337 -6.928 0.836 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.590 -5.549 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.534 -4.431 -0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.644 -6.062 -0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.340 -7.045 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.335 -5.743 1.950 1.00 0.00 H new ATOM 578 N ILE A 39 -4.697 -3.660 0.979 1.00 0.00 N ATOM 579 CA ILE A 39 -4.159 -2.354 1.339 1.00 0.00 C ATOM 580 C ILE A 39 -2.884 -2.051 0.560 1.00 0.00 C ATOM 581 O ILE A 39 -2.786 -1.027 -0.117 1.00 0.00 O ATOM 582 CB ILE A 39 -3.860 -2.264 2.847 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.160 -2.324 3.652 1.00 0.00 C ATOM 584 CG2 ILE A 39 -3.094 -0.988 3.161 1.00 0.00 C ATOM 585 CD1 ILE A 39 -4.950 -2.636 5.117 1.00 0.00 C ATOM 0 H ILE A 39 -4.742 -4.325 1.751 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.921 -1.618 1.084 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.240 -3.115 3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.677 -1.369 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.812 -3.082 3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.891 -0.940 4.231 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.152 -0.984 2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.689 -0.124 2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.914 -2.663 5.625 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.461 -3.605 5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.324 -1.866 5.567 1.00 0.00 H new ATOM 597 N ARG A 40 -1.909 -2.949 0.659 1.00 0.00 N ATOM 598 CA ARG A 40 -0.639 -2.779 -0.036 1.00 0.00 C ATOM 599 C ARG A 40 -0.864 -2.528 -1.525 1.00 0.00 C ATOM 600 O ARG A 40 -0.475 -1.487 -2.053 1.00 0.00 O ATOM 601 CB ARG A 40 0.242 -4.014 0.156 1.00 0.00 C ATOM 602 CG ARG A 40 1.694 -3.794 -0.236 1.00 0.00 C ATOM 603 CD ARG A 40 2.391 -5.108 -0.551 1.00 0.00 C ATOM 604 NE ARG A 40 2.867 -5.778 0.656 1.00 0.00 N ATOM 605 CZ ARG A 40 3.672 -6.835 0.642 1.00 0.00 C ATOM 606 NH1 ARG A 40 4.089 -7.339 -0.512 1.00 0.00 N ATOM 607 NH2 ARG A 40 4.062 -7.389 1.782 1.00 0.00 N ATOM 0 H ARG A 40 -1.975 -3.802 1.214 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.134 -1.912 0.390 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.199 -4.321 1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.164 -4.835 -0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.742 -3.138 -1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.218 -3.288 0.575 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.703 -5.765 -1.083 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.233 -4.921 -1.218 1.00 0.00 H new ATOM 0 HE ARG A 40 2.565 -5.414 1.560 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.792 -6.915 -1.391 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.707 -8.150 -0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.744 -7.004 2.671 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.680 -8.200 1.770 1.00 0.00 H new ATOM 621 N GLU A 41 -1.494 -3.489 -2.193 1.00 0.00 N ATOM 622 CA GLU A 41 -1.768 -3.371 -3.621 1.00 0.00 C ATOM 623 C GLU A 41 -2.525 -2.082 -3.925 1.00 0.00 C ATOM 624 O GLU A 41 -2.307 -1.451 -4.959 1.00 0.00 O ATOM 625 CB GLU A 41 -2.576 -4.576 -4.108 1.00 0.00 C ATOM 626 CG GLU A 41 -4.079 -4.368 -4.044 1.00 0.00 C ATOM 627 CD GLU A 41 -4.856 -5.659 -4.215 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.241 -6.675 -4.602 1.00 0.00 O ATOM 629 OE2 GLU A 41 -6.078 -5.654 -3.961 1.00 0.00 O ATOM 0 H GLU A 41 -1.824 -4.356 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.814 -3.344 -4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.293 -4.801 -5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.312 -5.446 -3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.339 -3.916 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.378 -3.663 -4.820 1.00 0.00 H new ATOM 636 N ASP A 42 -3.415 -1.697 -3.016 1.00 0.00 N ATOM 637 CA ASP A 42 -4.204 -0.482 -3.186 1.00 0.00 C ATOM 638 C ASP A 42 -3.300 0.740 -3.313 1.00 0.00 C ATOM 639 O ASP A 42 -3.525 1.606 -4.159 1.00 0.00 O ATOM 640 CB ASP A 42 -5.163 -0.303 -2.008 1.00 0.00 C ATOM 641 CG ASP A 42 -6.506 -0.964 -2.248 1.00 0.00 C ATOM 642 OD1 ASP A 42 -6.994 -0.914 -3.396 1.00 0.00 O ATOM 643 OD2 ASP A 42 -7.069 -1.532 -1.288 1.00 0.00 O ATOM 0 H ASP A 42 -3.608 -2.208 -2.155 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.783 -0.579 -4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.711 -0.722 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.313 0.761 -1.824 1.00 0.00 H new ATOM 648 N LEU A 43 -2.279 0.804 -2.466 1.00 0.00 N ATOM 649 CA LEU A 43 -1.340 1.921 -2.483 1.00 0.00 C ATOM 650 C LEU A 43 -0.497 1.905 -3.753 1.00 0.00 C ATOM 651 O LEU A 43 -0.024 2.947 -4.210 1.00 0.00 O ATOM 652 CB LEU A 43 -0.432 1.868 -1.253 1.00 0.00 C ATOM 653 CG LEU A 43 -0.903 2.665 -0.036 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.081 2.516 1.114 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.086 4.132 -0.397 1.00 0.00 C ATOM 0 H LEU A 43 -2.080 0.096 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.915 2.847 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.316 0.826 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.555 2.230 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.866 2.267 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.271 3.090 1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.162 1.465 1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.059 2.886 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.421 4.684 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.137 4.543 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.830 4.222 -1.188 1.00 0.00 H new ATOM 667 N ARG A 44 -0.313 0.718 -4.321 1.00 0.00 N ATOM 668 CA ARG A 44 0.472 0.566 -5.539 1.00 0.00 C ATOM 669 C ARG A 44 -0.366 0.894 -6.771 1.00 0.00 C ATOM 670 O ARG A 44 0.153 1.376 -7.778 1.00 0.00 O ATOM 671 CB ARG A 44 1.019 -0.859 -5.646 1.00 0.00 C ATOM 672 CG ARG A 44 2.310 -0.958 -6.442 1.00 0.00 C ATOM 673 CD ARG A 44 3.004 -2.292 -6.213 1.00 0.00 C ATOM 674 NE ARG A 44 3.863 -2.661 -7.334 1.00 0.00 N ATOM 675 CZ ARG A 44 4.890 -3.497 -7.229 1.00 0.00 C ATOM 676 NH1 ARG A 44 5.184 -4.047 -6.059 1.00 0.00 N ATOM 677 NH2 ARG A 44 5.626 -3.784 -8.296 1.00 0.00 N ATOM 0 H ARG A 44 -0.698 -0.153 -3.956 1.00 0.00 H new ATOM 0 HA ARG A 44 1.307 1.265 -5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.190 -1.250 -4.643 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.265 -1.494 -6.112 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.095 -0.836 -7.504 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.978 -0.145 -6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.600 -2.239 -5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.255 -3.069 -6.059 1.00 0.00 H new ATOM 0 HE ARG A 44 3.664 -2.255 -8.248 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.621 -3.829 -5.237 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.973 -4.689 -5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.403 -3.362 -9.198 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.414 -4.426 -8.214 1.00 0.00 H new ATOM 691 N VAL A 45 -1.666 0.629 -6.684 1.00 0.00 N ATOM 692 CA VAL A 45 -2.577 0.897 -7.790 1.00 0.00 C ATOM 693 C VAL A 45 -3.075 2.337 -7.757 1.00 0.00 C ATOM 694 O VAL A 45 -3.408 2.913 -8.792 1.00 0.00 O ATOM 695 CB VAL A 45 -3.788 -0.054 -7.762 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.359 -1.454 -7.352 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.862 0.479 -6.826 1.00 0.00 C ATOM 0 H VAL A 45 -2.112 0.229 -5.858 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.015 0.732 -8.709 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.208 -0.109 -8.766 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.228 -2.111 -7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.628 -1.834 -8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.913 -1.421 -6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.710 -0.205 -6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.456 0.565 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.190 1.460 -7.170 1.00 0.00 H new ATOM 707 N GLU A 46 -3.121 2.914 -6.560 1.00 0.00 N ATOM 708 CA GLU A 46 -3.579 4.288 -6.392 1.00 0.00 C ATOM 709 C GLU A 46 -2.509 5.277 -6.847 1.00 0.00 C ATOM 710 O GLU A 46 -2.802 6.241 -7.555 1.00 0.00 O ATOM 711 CB GLU A 46 -3.944 4.552 -4.930 1.00 0.00 C ATOM 712 CG GLU A 46 -2.779 5.050 -4.091 1.00 0.00 C ATOM 713 CD GLU A 46 -3.204 5.488 -2.703 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.415 5.421 -2.406 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.327 5.898 -1.915 1.00 0.00 O ATOM 0 H GLU A 46 -2.847 2.451 -5.693 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.465 4.427 -7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.748 5.287 -4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.331 3.633 -4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.033 4.259 -4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.300 5.886 -4.601 1.00 0.00 H new ATOM 722 N CYS A 47 -1.271 5.031 -6.434 1.00 0.00 N ATOM 723 CA CYS A 47 -0.157 5.900 -6.798 1.00 0.00 C ATOM 724 C CYS A 47 0.215 5.721 -8.266 1.00 0.00 C ATOM 725 O CYS A 47 0.882 6.572 -8.856 1.00 0.00 O ATOM 726 CB CYS A 47 1.055 5.608 -5.912 1.00 0.00 C ATOM 727 SG CYS A 47 0.797 5.981 -4.162 1.00 0.00 S ATOM 0 H CYS A 47 -1.013 4.238 -5.847 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.469 6.933 -6.645 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.320 4.556 -6.013 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.904 6.187 -6.274 1.00 0.00 H new ATOM 0 HG CYS A 47 0.356 4.921 -3.553 1.00 0.00 H new ATOM 733 N SER A 48 -0.219 4.609 -8.850 1.00 0.00 N ATOM 734 CA SER A 48 0.074 4.315 -10.248 1.00 0.00 C ATOM 735 C SER A 48 -0.847 5.105 -11.173 1.00 0.00 C ATOM 736 O SER A 48 -0.486 5.419 -12.308 1.00 0.00 O ATOM 737 CB SER A 48 -0.076 2.817 -10.519 1.00 0.00 C ATOM 738 OG SER A 48 0.199 2.514 -11.875 1.00 0.00 O ATOM 0 H SER A 48 -0.775 3.897 -8.377 1.00 0.00 H new ATOM 0 HA SER A 48 1.104 4.612 -10.448 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.602 2.258 -9.874 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.088 2.499 -10.270 1.00 0.00 H new ATOM 0 HG SER A 48 0.739 3.231 -12.267 1.00 0.00 H new ATOM 744 N LYS A 49 -2.039 5.424 -10.680 1.00 0.00 N ATOM 745 CA LYS A 49 -3.013 6.179 -11.460 1.00 0.00 C ATOM 746 C LYS A 49 -2.365 7.399 -12.106 1.00 0.00 C ATOM 747 O LYS A 49 -2.646 7.725 -13.260 1.00 0.00 O ATOM 748 CB LYS A 49 -4.178 6.618 -10.570 1.00 0.00 C ATOM 749 CG LYS A 49 -4.867 5.468 -9.858 1.00 0.00 C ATOM 750 CD LYS A 49 -5.316 4.395 -10.836 1.00 0.00 C ATOM 751 CE LYS A 49 -6.029 3.255 -10.125 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.057 2.616 -10.993 1.00 0.00 N ATOM 0 H LYS A 49 -2.354 5.171 -9.743 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.391 5.530 -12.250 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.810 7.326 -9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.910 7.148 -11.180 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.187 5.033 -9.126 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.730 5.844 -9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.981 4.834 -11.579 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.451 4.006 -11.373 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.299 2.507 -9.816 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.503 3.632 -9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.520 1.844 -10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.768 3.324 -11.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.602 2.233 -11.846 1.00 0.00 H new ATOM 766 N PHE A 50 -1.494 8.068 -11.357 1.00 0.00 N ATOM 767 CA PHE A 50 -0.806 9.251 -11.858 1.00 0.00 C ATOM 768 C PHE A 50 0.408 8.860 -12.697 1.00 0.00 C ATOM 769 O PHE A 50 0.770 9.554 -13.646 1.00 0.00 O ATOM 770 CB PHE A 50 -0.370 10.144 -10.695 1.00 0.00 C ATOM 771 CG PHE A 50 -1.406 10.271 -9.615 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.561 9.274 -8.665 1.00 0.00 C ATOM 773 CD2 PHE A 50 -2.225 11.386 -9.550 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.514 9.387 -7.671 1.00 0.00 C ATOM 775 CE2 PHE A 50 -3.180 11.505 -8.558 1.00 0.00 C ATOM 776 CZ PHE A 50 -3.324 10.505 -7.617 1.00 0.00 C ATOM 0 H PHE A 50 -1.248 7.810 -10.401 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.500 9.804 -12.491 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.546 9.742 -10.263 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.133 11.136 -11.079 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.930 8.399 -8.702 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.116 12.172 -10.283 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.626 8.602 -6.937 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.813 12.379 -8.519 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.069 10.597 -6.840 1.00 0.00 H new ATOM 786 N GLY A 51 1.033 7.743 -12.337 1.00 0.00 N ATOM 787 CA GLY A 51 2.200 7.279 -13.065 1.00 0.00 C ATOM 788 C GLY A 51 2.523 5.826 -12.776 1.00 0.00 C ATOM 789 O GLY A 51 1.859 4.924 -13.284 1.00 0.00 O ATOM 0 H GLY A 51 0.752 7.151 -11.555 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.031 7.405 -14.134 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.058 7.898 -12.803 1.00 0.00 H new ATOM 793 N GLN A 52 3.548 5.601 -11.960 1.00 0.00 N ATOM 794 CA GLN A 52 3.959 4.248 -11.606 1.00 0.00 C ATOM 795 C GLN A 52 4.470 4.191 -10.170 1.00 0.00 C ATOM 796 O GLN A 52 4.563 5.216 -9.494 1.00 0.00 O ATOM 797 CB GLN A 52 5.044 3.755 -12.566 1.00 0.00 C ATOM 798 CG GLN A 52 4.523 3.424 -13.955 1.00 0.00 C ATOM 799 CD GLN A 52 5.626 3.008 -14.908 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.494 3.807 -15.260 1.00 0.00 O ATOM 801 NE2 GLN A 52 5.599 1.749 -15.331 1.00 0.00 N ATOM 0 H GLN A 52 4.108 6.338 -11.532 1.00 0.00 H new ATOM 0 HA GLN A 52 3.088 3.598 -11.688 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.818 4.518 -12.650 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.516 2.868 -12.143 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.789 2.621 -13.882 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.005 4.293 -14.361 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.861 1.120 -15.014 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.316 1.411 -15.973 1.00 0.00 H new ATOM 810 N ILE A 53 4.798 2.989 -9.711 1.00 0.00 N ATOM 811 CA ILE A 53 5.300 2.800 -8.356 1.00 0.00 C ATOM 812 C ILE A 53 6.710 2.218 -8.368 1.00 0.00 C ATOM 813 O ILE A 53 6.891 1.006 -8.480 1.00 0.00 O ATOM 814 CB ILE A 53 4.381 1.872 -7.540 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.939 1.978 -8.040 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.460 2.216 -6.060 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.321 3.341 -7.820 1.00 0.00 C ATOM 0 H ILE A 53 4.725 2.131 -10.257 1.00 0.00 H new ATOM 0 HA ILE A 53 5.319 3.784 -7.887 1.00 0.00 H new ATOM 0 HB ILE A 53 4.717 0.844 -7.673 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.914 1.744 -9.104 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.332 1.227 -7.535 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.805 1.552 -5.497 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.486 2.095 -5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.146 3.249 -5.909 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.299 3.342 -8.199 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.313 3.569 -6.754 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.905 4.095 -8.348 1.00 0.00 H new ATOM 829 N ARG A 54 7.705 3.091 -8.248 1.00 0.00 N ATOM 830 CA ARG A 54 9.099 2.664 -8.245 1.00 0.00 C ATOM 831 C ARG A 54 9.386 1.757 -7.052 1.00 0.00 C ATOM 832 O ARG A 54 10.219 0.853 -7.131 1.00 0.00 O ATOM 833 CB ARG A 54 10.027 3.880 -8.209 1.00 0.00 C ATOM 834 CG ARG A 54 10.298 4.479 -9.580 1.00 0.00 C ATOM 835 CD ARG A 54 9.069 4.406 -10.473 1.00 0.00 C ATOM 836 NE ARG A 54 8.952 3.111 -11.137 1.00 0.00 N ATOM 837 CZ ARG A 54 9.788 2.690 -12.080 1.00 0.00 C ATOM 838 NH1 ARG A 54 10.798 3.458 -12.466 1.00 0.00 N ATOM 839 NH2 ARG A 54 9.615 1.498 -12.638 1.00 0.00 N ATOM 0 H ARG A 54 7.572 4.098 -8.152 1.00 0.00 H new ATOM 0 HA ARG A 54 9.283 2.102 -9.161 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.586 4.644 -7.568 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.974 3.590 -7.754 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.607 5.518 -9.469 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.125 3.949 -10.053 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.176 4.589 -9.876 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.119 5.195 -11.223 1.00 0.00 H new ATOM 0 HE ARG A 54 8.186 2.496 -10.862 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.934 4.374 -12.039 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.438 3.133 -13.190 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.840 0.904 -12.343 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.257 1.176 -13.362 1.00 0.00 H new ATOM 853 N LYS A 55 8.692 2.004 -5.946 1.00 0.00 N ATOM 854 CA LYS A 55 8.871 1.210 -4.736 1.00 0.00 C ATOM 855 C LYS A 55 7.721 1.439 -3.760 1.00 0.00 C ATOM 856 O LYS A 55 7.241 2.562 -3.603 1.00 0.00 O ATOM 857 CB LYS A 55 10.201 1.560 -4.064 1.00 0.00 C ATOM 858 CG LYS A 55 10.860 0.381 -3.369 1.00 0.00 C ATOM 859 CD LYS A 55 10.429 0.279 -1.915 1.00 0.00 C ATOM 860 CE LYS A 55 11.372 -0.607 -1.115 1.00 0.00 C ATOM 861 NZ LYS A 55 12.637 0.099 -0.771 1.00 0.00 N ATOM 0 H LYS A 55 8.000 2.748 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 55 8.880 0.158 -5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.884 1.957 -4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.033 2.353 -3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.603 -0.541 -3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.944 0.486 -3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.400 1.275 -1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.417 -0.123 -1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.877 -0.932 -0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.601 -1.505 -1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.216 -0.507 -0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.164 0.312 -1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.416 0.986 -0.275 1.00 0.00 H new ATOM 875 N LEU A 56 7.285 0.368 -3.107 1.00 0.00 N ATOM 876 CA LEU A 56 6.192 0.452 -2.144 1.00 0.00 C ATOM 877 C LEU A 56 6.520 -0.331 -0.877 1.00 0.00 C ATOM 878 O LEU A 56 6.932 -1.490 -0.940 1.00 0.00 O ATOM 879 CB LEU A 56 4.898 -0.078 -2.764 1.00 0.00 C ATOM 880 CG LEU A 56 3.597 0.446 -2.155 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.143 1.708 -2.871 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.514 -0.621 -2.212 1.00 0.00 C ATOM 0 H LEU A 56 7.671 -0.569 -3.226 1.00 0.00 H new ATOM 0 HA LEU A 56 6.057 1.500 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.902 0.165 -3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.900 -1.165 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 56 3.781 0.693 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.216 2.066 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.911 2.476 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.976 1.488 -3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.595 -0.231 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.332 -0.899 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.838 -1.499 -1.653 1.00 0.00 H new ATOM 894 N LEU A 57 6.333 0.309 0.272 1.00 0.00 N ATOM 895 CA LEU A 57 6.607 -0.329 1.556 1.00 0.00 C ATOM 896 C LEU A 57 5.463 -0.091 2.537 1.00 0.00 C ATOM 897 O LEU A 57 5.084 1.051 2.800 1.00 0.00 O ATOM 898 CB LEU A 57 7.916 0.203 2.142 1.00 0.00 C ATOM 899 CG LEU A 57 9.200 -0.304 1.486 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.400 0.493 1.974 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.393 -1.787 1.766 1.00 0.00 C ATOM 0 H LEU A 57 5.993 1.268 0.341 1.00 0.00 H new ATOM 0 HA LEU A 57 6.700 -1.402 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.904 1.291 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.947 -0.053 3.201 1.00 0.00 H new ATOM 0 HG LEU A 57 9.113 -0.167 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.305 0.118 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.266 1.545 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.491 0.389 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.312 -2.130 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.458 -1.949 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.547 -2.346 1.366 1.00 0.00 H new ATOM 913 N LEU A 58 4.919 -1.176 3.077 1.00 0.00 N ATOM 914 CA LEU A 58 3.820 -1.086 4.032 1.00 0.00 C ATOM 915 C LEU A 58 4.297 -1.414 5.443 1.00 0.00 C ATOM 916 O LEU A 58 4.660 -2.553 5.739 1.00 0.00 O ATOM 917 CB LEU A 58 2.690 -2.036 3.629 1.00 0.00 C ATOM 918 CG LEU A 58 1.274 -1.585 3.988 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.245 -2.540 3.404 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.113 -1.483 5.498 1.00 0.00 C ATOM 0 H LEU A 58 5.221 -2.128 2.870 1.00 0.00 H new ATOM 0 HA LEU A 58 3.446 -0.062 4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.739 -2.190 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.871 -3.003 4.097 1.00 0.00 H new ATOM 0 HG LEU A 58 1.108 -0.597 3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.757 -2.203 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.344 -2.562 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.409 -3.541 3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.099 -1.161 5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.299 -2.457 5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.825 -0.758 5.892 1.00 0.00 H new ATOM 932 N PHE A 59 4.291 -0.408 6.312 1.00 0.00 N ATOM 933 CA PHE A 59 4.722 -0.589 7.693 1.00 0.00 C ATOM 934 C PHE A 59 3.566 -1.074 8.564 1.00 0.00 C ATOM 935 O PHE A 59 3.100 -0.358 9.450 1.00 0.00 O ATOM 936 CB PHE A 59 5.281 0.721 8.252 1.00 0.00 C ATOM 937 CG PHE A 59 6.267 1.390 7.337 1.00 0.00 C ATOM 938 CD1 PHE A 59 7.040 0.642 6.464 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.421 2.767 7.351 1.00 0.00 C ATOM 940 CE1 PHE A 59 7.948 1.254 5.621 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.327 3.385 6.510 1.00 0.00 C ATOM 942 CZ PHE A 59 8.092 2.627 5.645 1.00 0.00 C ATOM 0 H PHE A 59 3.993 0.540 6.084 1.00 0.00 H new ATOM 0 HA PHE A 59 5.507 -1.345 7.706 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.455 1.406 8.447 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.763 0.522 9.209 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.932 -0.432 6.442 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.826 3.364 8.027 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.544 0.659 4.945 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.437 4.459 6.529 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.802 3.108 4.988 1.00 0.00 H new ATOM 952 N ASP A 60 3.110 -2.294 8.305 1.00 0.00 N ATOM 953 CA ASP A 60 2.009 -2.877 9.064 1.00 0.00 C ATOM 954 C ASP A 60 2.267 -2.768 10.564 1.00 0.00 C ATOM 955 O ASP A 60 1.335 -2.805 11.368 1.00 0.00 O ATOM 956 CB ASP A 60 1.810 -4.342 8.673 1.00 0.00 C ATOM 957 CG ASP A 60 3.118 -5.105 8.600 1.00 0.00 C ATOM 958 OD1 ASP A 60 3.963 -4.754 7.750 1.00 0.00 O ATOM 959 OD2 ASP A 60 3.298 -6.052 9.394 1.00 0.00 O ATOM 0 H ASP A 60 3.486 -2.899 7.575 1.00 0.00 H new ATOM 0 HA ASP A 60 1.102 -2.321 8.827 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.153 -4.822 9.398 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.309 -4.392 7.706 1.00 0.00 H new ATOM 964 N ARG A 61 3.537 -2.635 10.933 1.00 0.00 N ATOM 965 CA ARG A 61 3.917 -2.524 12.336 1.00 0.00 C ATOM 966 C ARG A 61 3.255 -1.312 12.984 1.00 0.00 C ATOM 967 O ARG A 61 2.506 -1.444 13.953 1.00 0.00 O ATOM 968 CB ARG A 61 5.438 -2.420 12.468 1.00 0.00 C ATOM 969 CG ARG A 61 6.138 -3.767 12.523 1.00 0.00 C ATOM 970 CD ARG A 61 5.994 -4.524 11.212 1.00 0.00 C ATOM 971 NE ARG A 61 7.096 -5.459 10.996 1.00 0.00 N ATOM 972 CZ ARG A 61 7.438 -5.928 9.801 1.00 0.00 C ATOM 973 NH1 ARG A 61 6.768 -5.551 8.721 1.00 0.00 N ATOM 974 NH2 ARG A 61 8.452 -6.775 9.685 1.00 0.00 N ATOM 0 H ARG A 61 4.320 -2.602 10.280 1.00 0.00 H new ATOM 0 HA ARG A 61 3.575 -3.422 12.851 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.829 -1.851 11.625 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.678 -1.858 13.371 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.195 -3.620 12.745 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.721 -4.362 13.336 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.050 -5.069 11.210 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.954 -3.814 10.386 1.00 0.00 H new ATOM 0 HE ARG A 61 7.632 -5.768 11.807 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.988 -4.899 8.806 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.033 -5.913 7.805 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.970 -7.067 10.514 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.714 -7.135 8.767 1.00 0.00 H new ATOM 988 N HIS A 62 3.537 -0.131 12.444 1.00 0.00 N ATOM 989 CA HIS A 62 2.968 1.106 12.969 1.00 0.00 C ATOM 990 C HIS A 62 1.449 1.008 13.065 1.00 0.00 C ATOM 991 O HIS A 62 0.750 0.839 12.066 1.00 0.00 O ATOM 992 CB HIS A 62 3.360 2.289 12.084 1.00 0.00 C ATOM 993 CG HIS A 62 3.669 3.536 12.853 1.00 0.00 C ATOM 994 ND1 HIS A 62 2.754 4.160 13.675 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.801 4.276 12.923 1.00 0.00 C ATOM 996 CE1 HIS A 62 3.309 5.230 14.216 1.00 0.00 C ATOM 997 NE2 HIS A 62 4.551 5.323 13.776 1.00 0.00 N ATOM 0 H HIS A 62 4.156 -0.004 11.643 1.00 0.00 H new ATOM 0 HA HIS A 62 3.368 1.264 13.971 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.231 2.014 11.489 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.549 2.494 11.386 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.728 4.079 12.405 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.829 5.913 14.901 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.216 6.054 14.029 1.00 0.00 H new ATOM 1005 N PRO A 63 0.924 1.116 14.295 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.517 1.042 14.550 1.00 0.00 C ATOM 1007 C PRO A 63 -1.263 2.261 14.018 1.00 0.00 C ATOM 1008 O PRO A 63 -2.471 2.396 14.214 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.605 0.985 16.077 1.00 0.00 C ATOM 1010 CG PRO A 63 0.644 1.643 16.553 1.00 0.00 C ATOM 1011 CD PRO A 63 1.698 1.318 15.531 1.00 0.00 C ATOM 0 HA PRO A 63 -0.976 0.188 14.051 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.490 1.505 16.442 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.671 -0.044 16.432 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.507 2.721 16.644 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.929 1.274 17.538 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.419 2.129 15.426 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.260 0.425 15.804 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.536 3.146 13.345 1.00 0.00 N ATOM 1020 CA ASP A 64 -1.130 4.354 12.784 1.00 0.00 C ATOM 1021 C ASP A 64 -1.204 4.267 11.262 1.00 0.00 C ATOM 1022 O ASP A 64 -1.279 5.285 10.575 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.322 5.585 13.198 1.00 0.00 C ATOM 1024 CG ASP A 64 -1.172 6.839 13.269 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -2.097 6.975 12.442 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -0.910 7.684 14.150 1.00 0.00 O ATOM 0 H ASP A 64 0.465 3.050 13.175 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.143 4.446 13.175 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.136 5.405 14.170 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.489 5.739 12.487 1.00 0.00 H new ATOM 1031 N GLY A 65 -1.180 3.044 10.743 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.244 2.846 9.306 1.00 0.00 C ATOM 1033 C GLY A 65 -0.263 3.726 8.556 1.00 0.00 C ATOM 1034 O GLY A 65 -0.649 4.734 7.964 1.00 0.00 O ATOM 0 H GLY A 65 -1.117 2.186 11.291 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.038 1.800 9.077 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.255 3.056 8.958 1.00 0.00 H new ATOM 1038 N VAL A 66 1.010 3.346 8.582 1.00 0.00 N ATOM 1039 CA VAL A 66 2.050 4.108 7.900 1.00 0.00 C ATOM 1040 C VAL A 66 2.596 3.341 6.701 1.00 0.00 C ATOM 1041 O VAL A 66 2.998 2.184 6.822 1.00 0.00 O ATOM 1042 CB VAL A 66 3.212 4.447 8.852 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.301 5.211 8.113 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.708 5.243 10.046 1.00 0.00 C ATOM 0 H VAL A 66 1.347 2.515 9.068 1.00 0.00 H new ATOM 0 HA VAL A 66 1.590 5.034 7.556 1.00 0.00 H new ATOM 0 HB VAL A 66 3.641 3.515 9.221 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.114 5.442 8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.681 4.601 7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.889 6.138 7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.543 5.474 10.708 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.253 6.171 9.699 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.967 4.656 10.588 1.00 0.00 H new ATOM 1054 N ALA A 67 2.609 3.993 5.544 1.00 0.00 N ATOM 1055 CA ALA A 67 3.108 3.374 4.323 1.00 0.00 C ATOM 1056 C ALA A 67 4.007 4.332 3.549 1.00 0.00 C ATOM 1057 O ALA A 67 3.747 5.534 3.494 1.00 0.00 O ATOM 1058 CB ALA A 67 1.948 2.915 3.451 1.00 0.00 C ATOM 0 H ALA A 67 2.279 4.951 5.426 1.00 0.00 H new ATOM 0 HA ALA A 67 3.703 2.505 4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.336 2.455 2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.347 2.189 3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.329 3.773 3.187 1.00 0.00 H new ATOM 1064 N SER A 68 5.065 3.793 2.952 1.00 0.00 N ATOM 1065 CA SER A 68 6.005 4.602 2.184 1.00 0.00 C ATOM 1066 C SER A 68 5.915 4.274 0.697 1.00 0.00 C ATOM 1067 O SER A 68 6.301 3.189 0.264 1.00 0.00 O ATOM 1068 CB SER A 68 7.433 4.372 2.683 1.00 0.00 C ATOM 1069 OG SER A 68 8.333 5.293 2.092 1.00 0.00 O ATOM 0 H SER A 68 5.293 2.799 2.985 1.00 0.00 H new ATOM 0 HA SER A 68 5.743 5.651 2.323 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.464 4.474 3.768 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.744 3.354 2.449 1.00 0.00 H new ATOM 0 HG SER A 68 9.239 5.127 2.428 1.00 0.00 H new ATOM 1075 N VAL A 69 5.401 5.222 -0.081 1.00 0.00 N ATOM 1076 CA VAL A 69 5.260 5.036 -1.520 1.00 0.00 C ATOM 1077 C VAL A 69 6.322 5.821 -2.282 1.00 0.00 C ATOM 1078 O VAL A 69 6.260 7.048 -2.367 1.00 0.00 O ATOM 1079 CB VAL A 69 3.866 5.473 -2.009 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.567 4.875 -3.375 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.800 5.075 -0.999 1.00 0.00 C ATOM 0 H VAL A 69 5.076 6.126 0.261 1.00 0.00 H new ATOM 0 HA VAL A 69 5.388 3.971 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 69 3.857 6.559 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.578 5.195 -3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.315 5.214 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.593 3.787 -3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.821 5.391 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.807 3.993 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.007 5.556 -0.043 1.00 0.00 H new ATOM 1091 N SER A 70 7.296 5.105 -2.835 1.00 0.00 N ATOM 1092 CA SER A 70 8.375 5.735 -3.588 1.00 0.00 C ATOM 1093 C SER A 70 7.926 6.064 -5.008 1.00 0.00 C ATOM 1094 O SER A 70 7.178 5.306 -5.627 1.00 0.00 O ATOM 1095 CB SER A 70 9.600 4.820 -3.627 1.00 0.00 C ATOM 1096 OG SER A 70 9.921 4.342 -2.332 1.00 0.00 O ATOM 0 H SER A 70 7.360 4.089 -2.776 1.00 0.00 H new ATOM 0 HA SER A 70 8.641 6.665 -3.085 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.408 3.978 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.451 5.363 -4.039 1.00 0.00 H new ATOM 0 HG SER A 70 10.852 4.036 -2.318 1.00 0.00 H new ATOM 1102 N PHE A 71 8.387 7.201 -5.519 1.00 0.00 N ATOM 1103 CA PHE A 71 8.033 7.632 -6.866 1.00 0.00 C ATOM 1104 C PHE A 71 9.284 7.900 -7.698 1.00 0.00 C ATOM 1105 O PHE A 71 10.406 7.679 -7.241 1.00 0.00 O ATOM 1106 CB PHE A 71 7.166 8.892 -6.810 1.00 0.00 C ATOM 1107 CG PHE A 71 5.805 8.656 -6.220 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.624 8.638 -4.847 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.706 8.453 -7.040 1.00 0.00 C ATOM 1110 CE1 PHE A 71 4.373 8.420 -4.302 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.452 8.235 -6.500 1.00 0.00 C ATOM 1112 CZ PHE A 71 3.285 8.220 -5.130 1.00 0.00 C ATOM 0 H PHE A 71 9.006 7.840 -5.021 1.00 0.00 H new ATOM 0 HA PHE A 71 7.467 6.830 -7.340 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.681 9.652 -6.223 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.052 9.291 -7.818 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.470 8.796 -4.195 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.831 8.465 -8.113 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.246 8.406 -3.230 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.604 8.077 -7.150 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.306 8.052 -4.706 1.00 0.00 H new ATOM 1122 N ARG A 72 9.083 8.376 -8.922 1.00 0.00 N ATOM 1123 CA ARG A 72 10.194 8.672 -9.819 1.00 0.00 C ATOM 1124 C ARG A 72 10.255 10.164 -10.135 1.00 0.00 C ATOM 1125 O ARG A 72 11.288 10.807 -9.947 1.00 0.00 O ATOM 1126 CB ARG A 72 10.058 7.871 -11.115 1.00 0.00 C ATOM 1127 CG ARG A 72 11.050 8.281 -12.192 1.00 0.00 C ATOM 1128 CD ARG A 72 12.466 7.858 -11.835 1.00 0.00 C ATOM 1129 NE ARG A 72 13.412 8.153 -12.907 1.00 0.00 N ATOM 1130 CZ ARG A 72 13.990 9.338 -13.071 1.00 0.00 C ATOM 1131 NH1 ARG A 72 13.720 10.332 -12.237 1.00 0.00 N ATOM 1132 NH2 ARG A 72 14.841 9.530 -14.072 1.00 0.00 N ATOM 0 H ARG A 72 8.161 8.565 -9.316 1.00 0.00 H new ATOM 0 HA ARG A 72 11.119 8.386 -9.318 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.192 6.812 -10.893 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.046 7.990 -11.501 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.763 7.831 -13.143 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.015 9.362 -12.328 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.779 8.370 -10.925 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.482 6.789 -11.621 1.00 0.00 H new ATOM 0 HE ARG A 72 13.642 7.409 -13.566 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.067 10.188 -11.467 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.165 11.241 -12.365 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.051 8.767 -14.716 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.284 10.440 -14.197 1.00 0.00 H new ATOM 1146 N ASP A 73 9.142 10.708 -10.615 1.00 0.00 N ATOM 1147 CA ASP A 73 9.069 12.124 -10.956 1.00 0.00 C ATOM 1148 C ASP A 73 8.512 12.935 -9.791 1.00 0.00 C ATOM 1149 O ASP A 73 7.709 12.451 -8.993 1.00 0.00 O ATOM 1150 CB ASP A 73 8.198 12.326 -12.198 1.00 0.00 C ATOM 1151 CG ASP A 73 8.980 12.163 -13.486 1.00 0.00 C ATOM 1152 OD1 ASP A 73 9.558 13.163 -13.960 1.00 0.00 O ATOM 1153 OD2 ASP A 73 9.014 11.035 -14.020 1.00 0.00 O ATOM 0 H ASP A 73 8.278 10.190 -10.777 1.00 0.00 H new ATOM 0 HA ASP A 73 10.079 12.475 -11.169 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.376 11.610 -12.182 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.754 13.321 -12.169 1.00 0.00 H new ATOM 1158 N PRO A 74 8.947 14.200 -9.689 1.00 0.00 N ATOM 1159 CA PRO A 74 8.505 15.106 -8.624 1.00 0.00 C ATOM 1160 C PRO A 74 7.045 15.517 -8.782 1.00 0.00 C ATOM 1161 O PRO A 74 6.304 15.595 -7.802 1.00 0.00 O ATOM 1162 CB PRO A 74 9.424 16.319 -8.787 1.00 0.00 C ATOM 1163 CG PRO A 74 9.833 16.295 -10.219 1.00 0.00 C ATOM 1164 CD PRO A 74 9.903 14.843 -10.605 1.00 0.00 C ATOM 0 HA PRO A 74 8.563 14.639 -7.641 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.905 17.245 -8.539 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.289 16.252 -8.127 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.114 16.830 -10.839 1.00 0.00 H new ATOM 0 HG3 PRO A 74 10.798 16.783 -10.358 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.625 14.691 -11.648 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.909 14.442 -10.482 1.00 0.00 H new ATOM 1172 N GLU A 75 6.639 15.779 -10.020 1.00 0.00 N ATOM 1173 CA GLU A 75 5.267 16.183 -10.304 1.00 0.00 C ATOM 1174 C GLU A 75 4.275 15.160 -9.759 1.00 0.00 C ATOM 1175 O GLU A 75 3.434 15.483 -8.920 1.00 0.00 O ATOM 1176 CB GLU A 75 5.064 16.354 -11.811 1.00 0.00 C ATOM 1177 CG GLU A 75 5.975 17.399 -12.434 1.00 0.00 C ATOM 1178 CD GLU A 75 7.269 16.807 -12.956 1.00 0.00 C ATOM 1179 OE1 GLU A 75 7.243 15.654 -13.435 1.00 0.00 O ATOM 1180 OE2 GLU A 75 8.308 17.497 -12.887 1.00 0.00 O ATOM 0 H GLU A 75 7.240 15.719 -10.842 1.00 0.00 H new ATOM 0 HA GLU A 75 5.087 17.138 -9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.234 15.396 -12.303 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.027 16.630 -12.000 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.450 17.893 -13.252 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.203 18.165 -11.693 1.00 0.00 H new ATOM 1187 N GLU A 76 4.380 13.926 -10.242 1.00 0.00 N ATOM 1188 CA GLU A 76 3.491 12.857 -9.804 1.00 0.00 C ATOM 1189 C GLU A 76 3.291 12.900 -8.292 1.00 0.00 C ATOM 1190 O GLU A 76 2.176 13.087 -7.807 1.00 0.00 O ATOM 1191 CB GLU A 76 4.053 11.495 -10.216 1.00 0.00 C ATOM 1192 CG GLU A 76 3.025 10.376 -10.181 1.00 0.00 C ATOM 1193 CD GLU A 76 3.599 9.043 -10.619 1.00 0.00 C ATOM 1194 OE1 GLU A 76 4.539 9.042 -11.441 1.00 0.00 O ATOM 1195 OE2 GLU A 76 3.108 8.000 -10.139 1.00 0.00 O ATOM 0 H GLU A 76 5.071 13.642 -10.936 1.00 0.00 H new ATOM 0 HA GLU A 76 2.524 13.004 -10.285 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.462 11.570 -11.224 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.880 11.238 -9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.630 10.282 -9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.187 10.637 -10.828 1.00 0.00 H new ATOM 1202 N ALA A 77 4.382 12.726 -7.552 1.00 0.00 N ATOM 1203 CA ALA A 77 4.328 12.747 -6.095 1.00 0.00 C ATOM 1204 C ALA A 77 3.714 14.047 -5.587 1.00 0.00 C ATOM 1205 O ALA A 77 2.663 14.039 -4.946 1.00 0.00 O ATOM 1206 CB ALA A 77 5.721 12.555 -5.513 1.00 0.00 C ATOM 0 H ALA A 77 5.313 12.569 -7.938 1.00 0.00 H new ATOM 0 HA ALA A 77 3.693 11.924 -5.767 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.666 12.573 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.123 11.596 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.373 13.358 -5.857 1.00 0.00 H new ATOM 1212 N ASP A 78 4.377 15.161 -5.876 1.00 0.00 N ATOM 1213 CA ASP A 78 3.896 16.469 -5.448 1.00 0.00 C ATOM 1214 C ASP A 78 2.404 16.618 -5.729 1.00 0.00 C ATOM 1215 O ASP A 78 1.695 17.327 -5.014 1.00 0.00 O ATOM 1216 CB ASP A 78 4.674 17.579 -6.156 1.00 0.00 C ATOM 1217 CG ASP A 78 4.051 18.946 -5.949 1.00 0.00 C ATOM 1218 OD1 ASP A 78 4.394 19.608 -4.947 1.00 0.00 O ATOM 1219 OD2 ASP A 78 3.221 19.354 -6.788 1.00 0.00 O ATOM 0 H ASP A 78 5.249 15.184 -6.405 1.00 0.00 H new ATOM 0 HA ASP A 78 4.055 16.553 -4.373 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.700 17.591 -5.788 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.721 17.362 -7.223 1.00 0.00 H new ATOM 1224 N TYR A 79 1.934 15.947 -6.774 1.00 0.00 N ATOM 1225 CA TYR A 79 0.527 16.008 -7.152 1.00 0.00 C ATOM 1226 C TYR A 79 -0.253 14.852 -6.533 1.00 0.00 C ATOM 1227 O TYR A 79 -1.473 14.925 -6.378 1.00 0.00 O ATOM 1228 CB TYR A 79 0.385 15.976 -8.675 1.00 0.00 C ATOM 1229 CG TYR A 79 -1.050 15.911 -9.147 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -2.077 16.460 -8.390 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.379 15.300 -10.351 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.390 16.403 -8.817 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.688 15.239 -10.787 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.690 15.792 -10.016 1.00 0.00 C ATOM 1235 OH TYR A 79 -4.996 15.732 -10.446 1.00 0.00 O ATOM 0 H TYR A 79 2.507 15.354 -7.375 1.00 0.00 H new ATOM 0 HA TYR A 79 0.115 16.944 -6.775 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.857 16.864 -9.094 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.926 15.114 -9.064 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.845 16.940 -7.451 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.597 14.865 -10.956 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.176 16.834 -8.215 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.926 14.761 -11.726 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.035 15.270 -11.309 1.00 0.00 H new ATOM 1245 N CYS A 80 0.459 13.788 -6.181 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.165 12.615 -5.578 1.00 0.00 C ATOM 1247 C CYS A 80 -0.416 12.837 -4.090 1.00 0.00 C ATOM 1248 O CYS A 80 -1.291 12.205 -3.497 1.00 0.00 O ATOM 1249 CB CYS A 80 0.716 11.382 -5.781 1.00 0.00 C ATOM 1250 SG CYS A 80 0.699 10.732 -7.468 1.00 0.00 S ATOM 0 H CYS A 80 1.469 13.713 -6.302 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.124 12.452 -6.069 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.742 11.633 -5.510 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.389 10.598 -5.098 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.509 10.367 -7.780 1.00 0.00 H new ATOM 1256 N ILE A 81 0.357 13.738 -3.493 1.00 0.00 N ATOM 1257 CA ILE A 81 0.218 14.042 -2.074 1.00 0.00 C ATOM 1258 C ILE A 81 -1.008 14.910 -1.816 1.00 0.00 C ATOM 1259 O ILE A 81 -1.556 14.915 -0.713 1.00 0.00 O ATOM 1260 CB ILE A 81 1.466 14.761 -1.529 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.398 16.258 -1.842 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.729 14.149 -2.115 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.657 17.061 -0.796 1.00 0.00 C ATOM 0 H ILE A 81 1.085 14.270 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 81 0.101 13.090 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 81 1.494 14.636 -0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.412 16.648 -1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.911 16.397 -2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.602 14.668 -1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.781 13.094 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.710 14.245 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.648 18.112 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.368 16.698 -0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.156 16.952 0.167 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.435 15.642 -2.840 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.599 16.513 -2.723 1.00 0.00 C ATOM 1277 C GLN A 82 -3.874 15.775 -3.118 1.00 0.00 C ATOM 1278 O GLN A 82 -4.971 16.136 -2.693 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.422 17.755 -3.598 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.823 17.458 -4.963 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.797 18.675 -5.867 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.754 18.943 -6.594 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.698 19.419 -5.826 1.00 0.00 N ATOM 0 H GLN A 82 -0.993 15.649 -3.759 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.688 16.821 -1.681 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.391 18.235 -3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.783 18.468 -3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.807 17.083 -4.836 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.398 16.666 -5.443 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.071 19.159 -5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.623 20.250 -6.412 1.00 0.00 H new ATOM 1292 N THR A 83 -3.721 14.738 -3.937 1.00 0.00 N ATOM 1293 CA THR A 83 -4.860 13.950 -4.391 1.00 0.00 C ATOM 1294 C THR A 83 -5.068 12.725 -3.508 1.00 0.00 C ATOM 1295 O THR A 83 -6.174 12.189 -3.423 1.00 0.00 O ATOM 1296 CB THR A 83 -4.679 13.492 -5.851 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.891 14.595 -6.740 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.647 12.368 -6.189 1.00 0.00 C ATOM 0 H THR A 83 -2.820 14.425 -4.299 1.00 0.00 H new ATOM 0 HA THR A 83 -5.737 14.594 -4.326 1.00 0.00 H new ATOM 0 HB THR A 83 -3.661 13.121 -5.969 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.050 14.818 -7.191 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.501 12.061 -7.225 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.464 11.520 -5.530 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.671 12.717 -6.055 1.00 0.00 H new ATOM 1306 N LEU A 84 -3.999 12.286 -2.852 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.065 11.123 -1.974 1.00 0.00 C ATOM 1308 C LEU A 84 -4.312 11.545 -0.529 1.00 0.00 C ATOM 1309 O LEU A 84 -4.550 10.707 0.340 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.769 10.315 -2.067 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.460 9.697 -3.431 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.082 9.053 -3.425 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.525 8.677 -3.808 1.00 0.00 C ATOM 0 H LEU A 84 -3.077 12.718 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.898 10.500 -2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.939 10.964 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.810 9.514 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.465 10.491 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.879 8.618 -4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.329 9.808 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.049 8.271 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.289 8.247 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.552 7.886 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.498 9.167 -3.854 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.257 12.849 -0.282 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.479 13.383 1.057 1.00 0.00 C ATOM 1327 C ASP A 85 -5.939 13.226 1.470 1.00 0.00 C ATOM 1328 O ASP A 85 -6.306 13.507 2.610 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.075 14.857 1.115 1.00 0.00 C ATOM 1330 CG ASP A 85 -4.813 15.700 0.094 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -5.674 15.146 -0.622 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -4.531 16.913 0.011 1.00 0.00 O ATOM 0 H ASP A 85 -4.061 13.556 -0.991 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.861 12.817 1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.273 15.246 2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.002 14.944 0.946 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.769 12.776 0.533 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.179 12.591 0.819 1.00 0.00 C ATOM 1339 C GLY A 86 -8.660 11.193 0.487 1.00 0.00 C ATOM 1340 O GLY A 86 -9.852 10.900 0.581 1.00 0.00 O ATOM 0 H GLY A 86 -6.490 12.537 -0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.362 12.794 1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.760 13.316 0.250 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.730 10.327 0.096 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.066 8.952 -0.254 1.00 0.00 C ATOM 1346 C ARG A 87 -8.705 8.230 0.928 1.00 0.00 C ATOM 1347 O ARG A 87 -8.591 8.671 2.072 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.814 8.199 -0.709 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.359 8.566 -2.112 1.00 0.00 C ATOM 1350 CD ARG A 87 -6.980 7.651 -3.156 1.00 0.00 C ATOM 1351 NE ARG A 87 -6.924 8.232 -4.495 1.00 0.00 N ATOM 1352 CZ ARG A 87 -7.658 7.800 -5.515 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -8.501 6.790 -5.348 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -7.552 8.380 -6.703 1.00 0.00 N ATOM 0 H ARG A 87 -6.739 10.553 0.014 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.785 8.978 -1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.004 8.402 -0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.010 7.128 -0.668 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.631 9.600 -2.325 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.272 8.503 -2.171 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.460 6.693 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.018 7.450 -2.891 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.287 9.012 -4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.587 6.343 -4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.063 6.460 -6.132 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.906 9.159 -6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.116 8.047 -7.485 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.376 7.120 0.645 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.034 6.338 1.685 1.00 0.00 C ATOM 1370 C TRP A 88 -9.567 4.887 1.653 1.00 0.00 C ATOM 1371 O TRP A 88 -9.637 4.225 0.617 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.553 6.401 1.516 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.130 7.748 1.833 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.061 8.871 1.060 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -12.861 8.112 3.009 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.706 9.912 1.684 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.206 9.471 2.881 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.260 7.421 4.157 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -13.929 10.151 3.858 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -13.977 8.097 5.125 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.306 9.450 4.971 1.00 0.00 C ATOM 0 H TRP A 88 -9.479 6.741 -0.296 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.765 6.766 2.651 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.809 6.136 0.490 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.015 5.654 2.162 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.572 8.932 0.099 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.798 10.859 1.316 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.012 6.378 4.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.183 11.194 3.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.289 7.573 6.016 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.868 9.950 5.746 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.090 4.397 2.792 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.611 3.024 2.893 1.00 0.00 C ATOM 1394 C PHE A 89 -9.314 2.284 4.028 1.00 0.00 C ATOM 1395 O PHE A 89 -9.534 2.840 5.103 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.097 3.005 3.118 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.302 3.112 1.848 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.513 4.162 0.969 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.341 2.164 1.534 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.783 4.263 -0.200 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.608 2.259 0.367 1.00 0.00 C ATOM 1402 CZ PHE A 89 -4.829 3.311 -0.501 1.00 0.00 C ATOM 0 H PHE A 89 -9.025 4.931 3.659 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.839 2.516 1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.825 3.829 3.778 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.825 2.082 3.631 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.257 4.910 1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.163 1.341 2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.958 5.086 -0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.863 1.512 0.134 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.257 3.389 -1.413 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.664 1.026 3.779 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.339 0.230 4.787 1.00 0.00 C ATOM 1414 C GLY A 90 -11.682 0.812 5.182 1.00 0.00 C ATOM 1415 O GLY A 90 -12.330 0.324 6.107 1.00 0.00 O ATOM 0 H GLY A 90 -9.492 0.544 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.482 -0.783 4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.705 0.155 5.671 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.100 1.861 4.480 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.372 2.494 4.778 1.00 0.00 C ATOM 1421 C GLY A 91 -13.205 3.882 5.363 1.00 0.00 C ATOM 1422 O GLY A 91 -14.143 4.679 5.366 1.00 0.00 O ATOM 0 H GLY A 91 -11.581 2.284 3.711 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.966 2.556 3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.929 1.872 5.479 1.00 0.00 H new ATOM 1426 N ARG A 92 -12.007 4.173 5.861 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.722 5.474 6.454 1.00 0.00 C ATOM 1428 C ARG A 92 -10.863 6.321 5.519 1.00 0.00 C ATOM 1429 O ARG A 92 -10.324 5.820 4.532 1.00 0.00 O ATOM 1430 CB ARG A 92 -11.012 5.301 7.798 1.00 0.00 C ATOM 1431 CG ARG A 92 -11.723 4.347 8.743 1.00 0.00 C ATOM 1432 CD ARG A 92 -10.881 4.052 9.975 1.00 0.00 C ATOM 1433 NE ARG A 92 -11.073 5.054 11.021 1.00 0.00 N ATOM 1434 CZ ARG A 92 -10.792 4.841 12.302 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -10.309 3.670 12.693 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -10.993 5.802 13.195 1.00 0.00 N ATOM 0 H ARG A 92 -11.219 3.525 5.865 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.670 5.988 6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.000 4.937 7.621 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.920 6.275 8.279 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.677 4.778 9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.946 3.416 8.222 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.140 3.067 10.364 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.828 4.017 9.695 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.443 5.966 10.753 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.152 2.929 12.010 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.094 3.510 13.677 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.363 6.705 12.898 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.777 5.638 14.178 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.742 7.606 5.836 1.00 0.00 N ATOM 1451 CA GLN A 93 -9.951 8.522 5.024 1.00 0.00 C ATOM 1452 C GLN A 93 -8.485 8.497 5.446 1.00 0.00 C ATOM 1453 O GLN A 93 -8.156 8.075 6.555 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.502 9.944 5.138 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.294 10.780 3.885 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.342 12.269 4.162 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.430 12.696 5.313 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.284 13.070 3.104 1.00 0.00 N ATOM 0 H GLN A 93 -11.182 8.036 6.650 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.017 8.196 3.986 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.568 9.895 5.359 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.024 10.443 5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.331 10.528 3.440 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.060 10.526 3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.211 12.673 2.167 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.312 14.082 3.228 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.610 8.949 4.554 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.180 8.979 4.835 1.00 0.00 C ATOM 1469 C ILE A 94 -5.557 10.293 4.378 1.00 0.00 C ATOM 1470 O ILE A 94 -6.140 11.025 3.576 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.448 7.811 4.149 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.516 7.960 2.628 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.047 6.482 4.584 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.679 6.944 1.883 1.00 0.00 C ATOM 0 H ILE A 94 -7.866 9.299 3.631 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.068 8.884 5.915 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.401 7.831 4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.554 7.868 2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.185 8.962 2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.519 5.666 4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.951 6.376 5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.101 6.451 4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.775 7.110 0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.634 7.050 2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.024 5.939 2.127 1.00 0.00 H new ATOM 1486 N THR A 95 -4.367 10.588 4.892 1.00 0.00 N ATOM 1487 CA THR A 95 -3.664 11.814 4.537 1.00 0.00 C ATOM 1488 C THR A 95 -2.356 11.509 3.815 1.00 0.00 C ATOM 1489 O THR A 95 -1.766 10.445 4.003 1.00 0.00 O ATOM 1490 CB THR A 95 -3.362 12.670 5.782 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.755 13.906 5.391 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.441 11.927 6.738 1.00 0.00 C ATOM 0 H THR A 95 -3.870 9.994 5.556 1.00 0.00 H new ATOM 0 HA THR A 95 -4.322 12.373 3.871 1.00 0.00 H new ATOM 0 HB THR A 95 -4.303 12.874 6.293 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.568 14.445 6.188 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.242 12.551 7.609 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.918 11.000 7.056 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.502 11.697 6.234 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.909 12.448 2.988 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.669 12.279 2.240 1.00 0.00 C ATOM 1502 C ALA A 96 0.251 13.481 2.424 1.00 0.00 C ATOM 1503 O ALA A 96 -0.212 14.603 2.627 1.00 0.00 O ATOM 1504 CB ALA A 96 -0.969 12.063 0.764 1.00 0.00 C ATOM 0 H ALA A 96 -2.387 13.333 2.819 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.156 11.399 2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.034 11.938 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.582 11.169 0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.506 12.926 0.372 1.00 0.00 H new ATOM 1510 N GLN A 97 1.556 13.238 2.353 1.00 0.00 N ATOM 1511 CA GLN A 97 2.540 14.301 2.514 1.00 0.00 C ATOM 1512 C GLN A 97 3.910 13.856 2.011 1.00 0.00 C ATOM 1513 O GLN A 97 4.179 12.661 1.891 1.00 0.00 O ATOM 1514 CB GLN A 97 2.634 14.721 3.982 1.00 0.00 C ATOM 1515 CG GLN A 97 2.751 13.549 4.943 1.00 0.00 C ATOM 1516 CD GLN A 97 1.403 13.063 5.437 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.945 13.454 6.511 1.00 0.00 O ATOM 1518 NE2 GLN A 97 0.759 12.205 4.654 1.00 0.00 N ATOM 0 H GLN A 97 1.956 12.315 2.185 1.00 0.00 H new ATOM 0 HA GLN A 97 2.215 15.155 1.920 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.498 15.373 4.110 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.752 15.306 4.241 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.270 12.728 4.448 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.362 13.843 5.796 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.176 11.908 3.772 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.152 11.843 4.935 1.00 0.00 H new ATOM 1527 N ALA A 98 4.771 14.825 1.718 1.00 0.00 N ATOM 1528 CA ALA A 98 6.113 14.532 1.230 1.00 0.00 C ATOM 1529 C ALA A 98 7.079 14.300 2.386 1.00 0.00 C ATOM 1530 O ALA A 98 7.149 15.100 3.320 1.00 0.00 O ATOM 1531 CB ALA A 98 6.610 15.664 0.343 1.00 0.00 C ATOM 0 H ALA A 98 4.563 15.819 1.810 1.00 0.00 H new ATOM 0 HA ALA A 98 6.067 13.616 0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.613 15.432 -0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.939 15.781 -0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.634 16.591 0.916 1.00 0.00 H new ATOM 1537 N TRP A 99 7.822 13.201 2.319 1.00 0.00 N ATOM 1538 CA TRP A 99 8.784 12.864 3.362 1.00 0.00 C ATOM 1539 C TRP A 99 10.116 13.567 3.122 1.00 0.00 C ATOM 1540 O TRP A 99 10.412 13.991 2.004 1.00 0.00 O ATOM 1541 CB TRP A 99 8.995 11.350 3.419 1.00 0.00 C ATOM 1542 CG TRP A 99 9.826 10.910 4.586 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.663 11.275 5.892 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.951 10.025 4.552 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.619 10.669 6.672 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.421 9.897 5.874 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.606 9.326 3.534 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.514 9.100 6.201 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.691 8.536 3.860 1.00 0.00 C ATOM 1550 CH2 TRP A 99 13.137 8.427 5.184 1.00 0.00 C ATOM 0 H TRP A 99 7.777 12.528 1.554 1.00 0.00 H new ATOM 0 HA TRP A 99 8.382 13.204 4.316 1.00 0.00 H new ATOM 0 HB2 TRP A 99 8.024 10.857 3.467 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.474 11.022 2.497 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.896 11.942 6.258 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.716 10.777 7.682 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.270 9.402 2.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 12.859 9.015 7.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 13.205 7.993 3.081 1.00 0.00 H new ATOM 0 HH2 TRP A 99 13.988 7.800 5.407 1.00 0.00 H new ATOM 1561 N ASP A 100 10.915 13.686 4.176 1.00 0.00 N ATOM 1562 CA ASP A 100 12.217 14.337 4.079 1.00 0.00 C ATOM 1563 C ASP A 100 13.343 13.339 4.330 1.00 0.00 C ATOM 1564 O ASP A 100 14.177 13.097 3.459 1.00 0.00 O ATOM 1565 CB ASP A 100 12.309 15.491 5.077 1.00 0.00 C ATOM 1566 CG ASP A 100 11.887 15.083 6.475 1.00 0.00 C ATOM 1567 OD1 ASP A 100 10.719 14.674 6.646 1.00 0.00 O ATOM 1568 OD2 ASP A 100 12.723 15.174 7.398 1.00 0.00 O ATOM 0 H ASP A 100 10.685 13.340 5.108 1.00 0.00 H new ATOM 0 HA ASP A 100 12.325 14.732 3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.333 15.863 5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.680 16.313 4.736 1.00 0.00 H new ATOM 1573 N GLY A 101 13.360 12.763 5.528 1.00 0.00 N ATOM 1574 CA GLY A 101 14.389 11.799 5.873 1.00 0.00 C ATOM 1575 C GLY A 101 14.756 11.844 7.343 1.00 0.00 C ATOM 1576 O GLY A 101 15.924 11.693 7.705 1.00 0.00 O ATOM 0 H GLY A 101 12.680 12.946 6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.044 10.797 5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.279 11.992 5.273 1.00 0.00 H new ATOM 1580 N THR A 102 13.757 12.053 8.195 1.00 0.00 N ATOM 1581 CA THR A 102 13.981 12.121 9.633 1.00 0.00 C ATOM 1582 C THR A 102 13.358 10.924 10.343 1.00 0.00 C ATOM 1583 O THR A 102 13.967 10.332 11.235 1.00 0.00 O ATOM 1584 CB THR A 102 13.402 13.416 10.232 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.495 13.381 11.660 1.00 0.00 O ATOM 1586 CG2 THR A 102 11.950 13.602 9.818 1.00 0.00 C ATOM 0 H THR A 102 12.785 12.178 7.913 1.00 0.00 H new ATOM 0 HA THR A 102 15.060 12.110 9.785 1.00 0.00 H new ATOM 0 HB THR A 102 13.983 14.256 9.852 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.126 14.209 12.032 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.563 14.523 10.253 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.886 13.659 8.731 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.360 12.757 10.172 1.00 0.00 H new ATOM 1594 N THR A 103 12.141 10.571 9.942 1.00 0.00 N ATOM 1595 CA THR A 103 11.436 9.444 10.540 1.00 0.00 C ATOM 1596 C THR A 103 12.234 8.154 10.392 1.00 0.00 C ATOM 1597 O THR A 103 13.024 8.005 9.459 1.00 0.00 O ATOM 1598 CB THR A 103 10.046 9.250 9.904 1.00 0.00 C ATOM 1599 OG1 THR A 103 9.198 8.517 10.794 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.156 8.513 8.578 1.00 0.00 C ATOM 0 H THR A 103 11.623 11.050 9.205 1.00 0.00 H new ATOM 0 HA THR A 103 11.315 9.673 11.599 1.00 0.00 H new ATOM 0 HB THR A 103 9.614 10.234 9.720 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.394 8.227 10.315 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.162 8.388 8.148 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.778 9.088 7.892 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.606 7.534 8.742 1.00 0.00 H new ATOM 1608 N ASP A 104 12.024 7.225 11.317 1.00 0.00 N ATOM 1609 CA ASP A 104 12.723 5.945 11.289 1.00 0.00 C ATOM 1610 C ASP A 104 11.765 4.810 10.943 1.00 0.00 C ATOM 1611 O ASP A 104 12.004 3.654 11.295 1.00 0.00 O ATOM 1612 CB ASP A 104 13.389 5.674 12.639 1.00 0.00 C ATOM 1613 CG ASP A 104 12.419 5.793 13.797 1.00 0.00 C ATOM 1614 OD1 ASP A 104 12.024 6.931 14.125 1.00 0.00 O ATOM 1615 OD2 ASP A 104 12.056 4.748 14.377 1.00 0.00 O ATOM 0 H ASP A 104 11.375 7.334 12.096 1.00 0.00 H new ATOM 0 HA ASP A 104 13.491 5.995 10.517 1.00 0.00 H new ATOM 0 HB2 ASP A 104 13.822 4.674 12.633 1.00 0.00 H new ATOM 0 HB3 ASP A 104 14.210 6.376 12.783 1.00 0.00 H new ATOM 1620 N TYR A 105 10.681 5.147 10.254 1.00 0.00 N ATOM 1621 CA TYR A 105 9.685 4.156 9.864 1.00 0.00 C ATOM 1622 C TYR A 105 10.330 3.008 9.093 1.00 0.00 C ATOM 1623 O TYR A 105 10.086 1.838 9.383 1.00 0.00 O ATOM 1624 CB TYR A 105 8.594 4.807 9.012 1.00 0.00 C ATOM 1625 CG TYR A 105 7.830 5.895 9.733 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.419 5.725 11.050 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.520 7.091 9.099 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.720 6.716 11.713 1.00 0.00 C ATOM 1629 CE2 TYR A 105 6.823 8.088 9.754 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.425 7.895 11.061 1.00 0.00 C ATOM 1631 OH TYR A 105 5.730 8.885 11.717 1.00 0.00 O ATOM 0 H TYR A 105 10.469 6.099 9.954 1.00 0.00 H new ATOM 0 HA TYR A 105 9.237 3.753 10.772 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.048 5.227 8.115 1.00 0.00 H new ATOM 0 HB3 TYR A 105 7.893 4.039 8.685 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.650 4.803 11.564 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.829 7.245 8.076 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.407 6.568 12.736 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.591 9.013 9.246 1.00 0.00 H new ATOM 0 HH TYR A 105 5.606 9.650 11.117 1.00 0.00 H new