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= -0.809 K(o=-0.81,f=-0.19) USER MOD Single : A 23 MET CE :methyl -140:sc= -6.63! (180deg=-12.6!) USER MOD Single : A 25 HIS : no HD1:sc= -3.18! C(o=-3.2!,f=-6!) USER MOD Single : A 27 MET CE :methyl -151:sc= -0.393 (180deg=-1.76!) USER MOD Single : A 37 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.073) USER MOD Single : A 47 CYS SG : rot 88:sc= -6.15! USER MOD Single : A 48 SER OG : rot 180:sc= 0 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+ 152:sc= -0.267 (180deg=-1.17) USER MOD Single : A 62 HIS : no HD1:sc= -0.691 K(o=-0.69,f=-1.8) USER MOD Single : A 68 SER OG : rot 180:sc= -1.09 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -67:sc= -2.71! USER MOD Single : A 82 GLN : amide:sc= -1.74! C(o=-1.7!,f=-2.9!) USER MOD Single : A 83 THR OG1 : rot 118:sc= 0.641 USER MOD Single : A 93 GLN : amide:sc= -2.32! C(o=-2.3!,f=-2.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -10.1! C(o=-10!,f=-4.6!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -134:sc= 0.419! USER MOD ----------------------------------------------------------------- ATOM 219 N VAL A 17 9.348 10.295 -2.009 1.00 0.00 N ATOM 220 CA VAL A 17 8.544 9.343 -1.253 1.00 0.00 C ATOM 221 C VAL A 17 7.453 10.053 -0.459 1.00 0.00 C ATOM 222 O VAL A 17 7.699 11.082 0.171 1.00 0.00 O ATOM 223 CB VAL A 17 9.413 8.517 -0.286 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.560 7.512 0.473 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.531 7.816 -1.043 1.00 0.00 C ATOM 0 HA VAL A 17 8.083 8.672 -1.978 1.00 0.00 H new ATOM 0 HB VAL A 17 9.864 9.194 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.191 6.938 1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.798 8.041 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.078 6.836 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.136 7.237 -0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.102 7.149 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.158 8.559 -1.536 1.00 0.00 H new ATOM 235 N VAL A 18 6.246 9.496 -0.492 1.00 0.00 N ATOM 236 CA VAL A 18 5.117 10.075 0.226 1.00 0.00 C ATOM 237 C VAL A 18 4.693 9.186 1.390 1.00 0.00 C ATOM 238 O VAL A 18 4.783 7.960 1.313 1.00 0.00 O ATOM 239 CB VAL A 18 3.911 10.292 -0.706 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.364 10.860 -2.043 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.148 8.990 -0.902 1.00 0.00 C ATOM 0 H VAL A 18 6.025 8.645 -1.008 1.00 0.00 H new ATOM 0 HA VAL A 18 5.447 11.040 0.611 1.00 0.00 H new ATOM 0 HB VAL A 18 3.240 11.014 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.498 11.007 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.863 11.816 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.057 10.165 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.299 9.162 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.808 8.245 -1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.790 8.630 0.062 1.00 0.00 H new ATOM 251 N ILE A 19 4.229 9.812 2.466 1.00 0.00 N ATOM 252 CA ILE A 19 3.789 9.078 3.646 1.00 0.00 C ATOM 253 C ILE A 19 2.272 9.135 3.795 1.00 0.00 C ATOM 254 O ILE A 19 1.645 10.146 3.479 1.00 0.00 O ATOM 255 CB ILE A 19 4.440 9.629 4.928 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.951 9.779 4.735 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.140 8.718 6.109 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.595 8.588 4.061 1.00 0.00 C ATOM 0 H ILE A 19 4.148 10.826 2.545 1.00 0.00 H new ATOM 0 HA ILE A 19 4.100 8.043 3.507 1.00 0.00 H new ATOM 0 HB ILE A 19 4.019 10.613 5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.146 10.672 4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.420 9.934 5.707 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.607 9.121 7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.062 8.657 6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.536 7.722 5.910 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.666 8.764 3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.431 7.695 4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.153 8.445 3.075 1.00 0.00 H new ATOM 270 N ILE A 20 1.690 8.044 4.280 1.00 0.00 N ATOM 271 CA ILE A 20 0.247 7.971 4.474 1.00 0.00 C ATOM 272 C ILE A 20 -0.095 7.465 5.871 1.00 0.00 C ATOM 273 O ILE A 20 0.566 6.571 6.399 1.00 0.00 O ATOM 274 CB ILE A 20 -0.416 7.052 3.430 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.207 7.277 2.051 1.00 0.00 C ATOM 276 CG2 ILE A 20 -1.917 7.296 3.387 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.395 8.445 1.301 1.00 0.00 C ATOM 0 H ILE A 20 2.195 7.199 4.546 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.139 8.983 4.352 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.245 6.015 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.278 7.443 2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.088 6.372 1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.371 6.639 2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.348 7.089 4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.109 8.335 3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.094 8.546 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.461 8.272 1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.252 9.360 1.877 1.00 0.00 H new ATOM 289 N LYS A 21 -1.135 8.041 6.464 1.00 0.00 N ATOM 290 CA LYS A 21 -1.569 7.647 7.800 1.00 0.00 C ATOM 291 C LYS A 21 -3.040 7.241 7.796 1.00 0.00 C ATOM 292 O LYS A 21 -3.800 7.637 6.914 1.00 0.00 O ATOM 293 CB LYS A 21 -1.348 8.794 8.789 1.00 0.00 C ATOM 294 CG LYS A 21 -0.022 8.716 9.524 1.00 0.00 C ATOM 295 CD LYS A 21 1.153 8.905 8.579 1.00 0.00 C ATOM 296 CE LYS A 21 2.476 8.909 9.328 1.00 0.00 C ATOM 297 NZ LYS A 21 2.723 10.208 10.012 1.00 0.00 N ATOM 0 H LYS A 21 -1.693 8.782 6.041 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.974 6.788 8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.401 9.741 8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.158 8.795 9.518 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.009 9.479 10.302 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.062 7.750 10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.156 8.107 7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.038 9.844 8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.479 8.105 10.064 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.289 8.706 8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.635 10.170 10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.746 10.973 9.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.961 10.390 10.696 1.00 0.00 H new ATOM 311 N ASN A 22 -3.433 6.451 8.790 1.00 0.00 N ATOM 312 CA ASN A 22 -4.813 5.993 8.901 1.00 0.00 C ATOM 313 C ASN A 22 -5.264 5.308 7.615 1.00 0.00 C ATOM 314 O ASN A 22 -6.274 5.684 7.020 1.00 0.00 O ATOM 315 CB ASN A 22 -5.739 7.169 9.218 1.00 0.00 C ATOM 316 CG ASN A 22 -6.940 6.753 10.045 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.796 6.204 11.137 1.00 0.00 O ATOM 318 ND2 ASN A 22 -8.134 7.012 9.525 1.00 0.00 N ATOM 0 H ASN A 22 -2.816 6.115 9.529 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.865 5.269 9.714 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.179 7.934 9.755 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.081 7.620 8.286 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.979 6.754 10.035 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.206 7.469 8.616 1.00 0.00 H new ATOM 325 N MET A 23 -4.509 4.300 7.192 1.00 0.00 N ATOM 326 CA MET A 23 -4.832 3.561 5.977 1.00 0.00 C ATOM 327 C MET A 23 -4.945 2.067 6.263 1.00 0.00 C ATOM 328 O MET A 23 -5.617 1.334 5.536 1.00 0.00 O ATOM 329 CB MET A 23 -3.768 3.807 4.906 1.00 0.00 C ATOM 330 CG MET A 23 -2.346 3.598 5.402 1.00 0.00 C ATOM 331 SD MET A 23 -1.211 3.133 4.080 1.00 0.00 S ATOM 332 CE MET A 23 -2.076 1.737 3.366 1.00 0.00 C ATOM 0 H MET A 23 -3.669 3.976 7.672 1.00 0.00 H new ATOM 0 HA MET A 23 -5.795 3.917 5.611 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.952 3.140 4.063 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.868 4.827 4.534 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.992 4.514 5.874 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.343 2.823 6.168 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.359 0.958 3.108 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.793 1.345 4.088 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.604 2.057 2.467 1.00 0.00 H new ATOM 342 N PHE A 24 -4.284 1.621 7.326 1.00 0.00 N ATOM 343 CA PHE A 24 -4.309 0.213 7.707 1.00 0.00 C ATOM 344 C PHE A 24 -4.093 0.053 9.209 1.00 0.00 C ATOM 345 O PHE A 24 -3.878 1.031 9.925 1.00 0.00 O ATOM 346 CB PHE A 24 -3.238 -0.564 6.939 1.00 0.00 C ATOM 347 CG PHE A 24 -1.835 -0.184 7.317 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.254 -0.687 8.470 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.098 0.676 6.520 1.00 0.00 C ATOM 350 CE1 PHE A 24 0.037 -0.338 8.820 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.193 1.028 6.864 1.00 0.00 C ATOM 352 CZ PHE A 24 0.762 0.519 8.016 1.00 0.00 C ATOM 0 H PHE A 24 -3.724 2.214 7.939 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.290 -0.190 7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.377 -1.630 7.116 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.376 -0.398 5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.816 -1.359 9.102 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.538 1.076 5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.478 -0.736 9.722 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.757 1.700 6.234 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.772 0.791 8.287 1.00 0.00 H new ATOM 362 N HIS A 25 -4.150 -1.189 9.679 1.00 0.00 N ATOM 363 CA HIS A 25 -3.960 -1.479 11.096 1.00 0.00 C ATOM 364 C HIS A 25 -3.313 -2.848 11.288 1.00 0.00 C ATOM 365 O HIS A 25 -3.625 -3.812 10.589 1.00 0.00 O ATOM 366 CB HIS A 25 -5.299 -1.427 11.833 1.00 0.00 C ATOM 367 CG HIS A 25 -5.167 -1.120 13.293 1.00 0.00 C ATOM 368 ND1 HIS A 25 -5.293 -2.077 14.278 1.00 0.00 N ATOM 369 CD2 HIS A 25 -4.917 0.046 13.934 1.00 0.00 C ATOM 370 CE1 HIS A 25 -5.128 -1.512 15.461 1.00 0.00 C ATOM 371 NE2 HIS A 25 -4.898 -0.224 15.280 1.00 0.00 N ATOM 0 H HIS A 25 -4.326 -2.010 9.100 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.296 -0.721 11.511 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.932 -0.672 11.367 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.806 -2.385 11.716 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.761 1.010 13.472 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -5.173 -2.018 16.414 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.733 0.459 16.020 1.00 0.00 H new ATOM 379 N PRO A 26 -2.391 -2.936 12.258 1.00 0.00 N ATOM 380 CA PRO A 26 -1.681 -4.182 12.564 1.00 0.00 C ATOM 381 C PRO A 26 -2.592 -5.226 13.201 1.00 0.00 C ATOM 382 O PRO A 26 -2.385 -6.428 13.034 1.00 0.00 O ATOM 383 CB PRO A 26 -0.601 -3.740 13.555 1.00 0.00 C ATOM 384 CG PRO A 26 -1.150 -2.509 14.190 1.00 0.00 C ATOM 385 CD PRO A 26 -1.970 -1.827 13.131 1.00 0.00 C ATOM 0 HA PRO A 26 -1.287 -4.658 11.666 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.404 -4.514 14.297 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.342 -3.537 13.048 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.762 -2.757 15.058 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.348 -1.860 14.541 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.826 -1.306 13.559 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.386 -1.086 12.586 1.00 0.00 H new ATOM 393 N MET A 27 -3.600 -4.760 13.930 1.00 0.00 N ATOM 394 CA MET A 27 -4.544 -5.656 14.589 1.00 0.00 C ATOM 395 C MET A 27 -5.485 -6.298 13.575 1.00 0.00 C ATOM 396 O MET A 27 -6.255 -7.197 13.911 1.00 0.00 O ATOM 397 CB MET A 27 -5.352 -4.894 15.641 1.00 0.00 C ATOM 398 CG MET A 27 -5.783 -5.755 16.818 1.00 0.00 C ATOM 399 SD MET A 27 -4.562 -5.781 18.144 1.00 0.00 S ATOM 400 CE MET A 27 -3.540 -7.162 17.636 1.00 0.00 C ATOM 0 H MET A 27 -3.785 -3.768 14.080 1.00 0.00 H new ATOM 0 HA MET A 27 -3.975 -6.446 15.079 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.756 -4.060 16.011 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.238 -4.469 15.169 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.730 -5.382 17.209 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.960 -6.774 16.472 1.00 0.00 H new ATOM 0 HE1 MET A 27 -3.101 -7.633 18.516 1.00 0.00 H new ATOM 0 HE2 MET A 27 -4.151 -7.890 17.102 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.745 -6.805 16.981 1.00 0.00 H new ATOM 410 N ASP A 28 -5.417 -5.829 12.333 1.00 0.00 N ATOM 411 CA ASP A 28 -6.263 -6.358 11.270 1.00 0.00 C ATOM 412 C ASP A 28 -5.560 -7.494 10.531 1.00 0.00 C ATOM 413 O ASP A 28 -6.194 -8.466 10.119 1.00 0.00 O ATOM 414 CB ASP A 28 -6.636 -5.248 10.286 1.00 0.00 C ATOM 415 CG ASP A 28 -8.002 -5.462 9.663 1.00 0.00 C ATOM 416 OD1 ASP A 28 -8.530 -6.589 9.763 1.00 0.00 O ATOM 417 OD2 ASP A 28 -8.542 -4.502 9.076 1.00 0.00 O ATOM 0 H ASP A 28 -4.785 -5.084 12.039 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.172 -6.751 11.724 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.622 -4.288 10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.884 -5.197 9.498 1.00 0.00 H new ATOM 422 N PHE A 29 -4.248 -7.363 10.367 1.00 0.00 N ATOM 423 CA PHE A 29 -3.460 -8.377 9.676 1.00 0.00 C ATOM 424 C PHE A 29 -3.417 -9.674 10.480 1.00 0.00 C ATOM 425 O PHE A 29 -3.257 -10.757 9.920 1.00 0.00 O ATOM 426 CB PHE A 29 -2.038 -7.869 9.431 1.00 0.00 C ATOM 427 CG PHE A 29 -1.985 -6.450 8.939 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.809 -6.030 7.907 1.00 0.00 C ATOM 429 CD2 PHE A 29 -1.112 -5.538 9.509 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.762 -4.726 7.452 1.00 0.00 C ATOM 431 CE2 PHE A 29 -1.061 -4.232 9.058 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.887 -3.825 8.029 1.00 0.00 C ATOM 0 H PHE A 29 -3.708 -6.565 10.703 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.936 -8.580 8.717 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.469 -7.946 10.357 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.550 -8.516 8.702 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.495 -6.730 7.453 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.464 -5.851 10.315 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.408 -4.411 6.646 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.376 -3.531 9.510 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.849 -2.805 7.676 1.00 0.00 H new ATOM 442 N GLU A 30 -3.561 -9.552 11.796 1.00 0.00 N ATOM 443 CA GLU A 30 -3.537 -10.714 12.677 1.00 0.00 C ATOM 444 C GLU A 30 -4.751 -11.606 12.434 1.00 0.00 C ATOM 445 O GLU A 30 -4.684 -12.823 12.603 1.00 0.00 O ATOM 446 CB GLU A 30 -3.501 -10.271 14.141 1.00 0.00 C ATOM 447 CG GLU A 30 -2.241 -9.508 14.515 1.00 0.00 C ATOM 448 CD GLU A 30 -1.138 -10.416 15.022 1.00 0.00 C ATOM 449 OE1 GLU A 30 -0.778 -11.371 14.303 1.00 0.00 O ATOM 450 OE2 GLU A 30 -0.634 -10.170 16.138 1.00 0.00 O ATOM 0 H GLU A 30 -3.695 -8.662 12.275 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.637 -11.287 12.456 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.369 -9.644 14.344 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.587 -11.150 14.780 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.882 -8.958 13.645 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.481 -8.771 15.282 1.00 0.00 H new ATOM 457 N ASP A 31 -5.860 -10.991 12.037 1.00 0.00 N ATOM 458 CA ASP A 31 -7.090 -11.728 11.770 1.00 0.00 C ATOM 459 C ASP A 31 -7.082 -12.304 10.358 1.00 0.00 C ATOM 460 O ASP A 31 -7.732 -13.313 10.085 1.00 0.00 O ATOM 461 CB ASP A 31 -8.305 -10.819 11.958 1.00 0.00 C ATOM 462 CG ASP A 31 -9.583 -11.601 12.188 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.657 -12.762 11.737 1.00 0.00 O ATOM 464 OD2 ASP A 31 -10.510 -11.051 12.820 1.00 0.00 O ATOM 0 H ASP A 31 -5.932 -9.984 11.893 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.152 -12.554 12.479 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.131 -10.156 12.805 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.422 -10.188 11.077 1.00 0.00 H new ATOM 469 N ASP A 32 -6.345 -11.654 9.464 1.00 0.00 N ATOM 470 CA ASP A 32 -6.253 -12.102 8.079 1.00 0.00 C ATOM 471 C ASP A 32 -5.238 -11.267 7.304 1.00 0.00 C ATOM 472 O ASP A 32 -5.157 -10.047 7.454 1.00 0.00 O ATOM 473 CB ASP A 32 -7.622 -12.019 7.402 1.00 0.00 C ATOM 474 CG ASP A 32 -8.417 -13.302 7.545 1.00 0.00 C ATOM 475 OD1 ASP A 32 -7.964 -14.342 7.022 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.491 -13.267 8.181 1.00 0.00 O ATOM 0 H ASP A 32 -5.803 -10.816 9.673 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.919 -13.139 8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.188 -11.194 7.834 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.488 -11.794 6.344 1.00 0.00 H new ATOM 481 N PRO A 33 -4.443 -11.937 6.457 1.00 0.00 N ATOM 482 CA PRO A 33 -3.418 -11.277 5.643 1.00 0.00 C ATOM 483 C PRO A 33 -4.021 -10.409 4.544 1.00 0.00 C ATOM 484 O PRO A 33 -3.506 -9.333 4.236 1.00 0.00 O ATOM 485 CB PRO A 33 -2.641 -12.447 5.034 1.00 0.00 C ATOM 486 CG PRO A 33 -3.610 -13.579 5.020 1.00 0.00 C ATOM 487 CD PRO A 33 -4.483 -13.391 6.229 1.00 0.00 C ATOM 0 HA PRO A 33 -2.802 -10.600 6.234 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.294 -12.211 4.028 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.759 -12.688 5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.203 -13.574 4.106 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.092 -14.537 5.058 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.499 -13.742 6.049 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.103 -13.943 7.089 1.00 0.00 H new ATOM 495 N LEU A 34 -5.115 -10.881 3.957 1.00 0.00 N ATOM 496 CA LEU A 34 -5.789 -10.147 2.892 1.00 0.00 C ATOM 497 C LEU A 34 -5.777 -8.648 3.172 1.00 0.00 C ATOM 498 O LEU A 34 -5.445 -7.845 2.299 1.00 0.00 O ATOM 499 CB LEU A 34 -7.230 -10.637 2.741 1.00 0.00 C ATOM 500 CG LEU A 34 -7.418 -11.937 1.958 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.409 -11.666 0.462 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.337 -12.943 2.326 1.00 0.00 C ATOM 0 H LEU A 34 -5.554 -11.769 4.201 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.250 -10.329 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.653 -10.771 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.809 -9.854 2.251 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.386 -12.361 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.544 -12.603 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.220 -10.982 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.456 -11.218 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.487 -13.862 1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.357 -12.527 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.391 -13.162 3.392 1.00 0.00 H new ATOM 514 N VAL A 35 -6.139 -8.276 4.396 1.00 0.00 N ATOM 515 CA VAL A 35 -6.166 -6.873 4.792 1.00 0.00 C ATOM 516 C VAL A 35 -4.925 -6.138 4.299 1.00 0.00 C ATOM 517 O VAL A 35 -5.024 -5.144 3.578 1.00 0.00 O ATOM 518 CB VAL A 35 -6.263 -6.725 6.322 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.326 -5.256 6.713 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.472 -7.479 6.855 1.00 0.00 C ATOM 0 H VAL A 35 -6.418 -8.927 5.130 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.051 -6.432 4.334 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.368 -7.158 6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.394 -5.171 7.798 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.427 -4.748 6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.202 -4.795 6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.525 -7.363 7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.379 -7.078 6.403 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.380 -8.536 6.607 1.00 0.00 H new ATOM 530 N LEU A 36 -3.757 -6.634 4.690 1.00 0.00 N ATOM 531 CA LEU A 36 -2.494 -6.024 4.287 1.00 0.00 C ATOM 532 C LEU A 36 -2.289 -6.141 2.780 1.00 0.00 C ATOM 533 O LEU A 36 -1.741 -5.240 2.146 1.00 0.00 O ATOM 534 CB LEU A 36 -1.328 -6.685 5.024 1.00 0.00 C ATOM 535 CG LEU A 36 -0.015 -5.901 5.043 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.107 -4.727 6.004 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.145 -6.812 5.420 1.00 0.00 C ATOM 0 H LEU A 36 -3.657 -7.456 5.285 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.530 -4.967 4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.633 -6.869 6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.141 -7.657 4.568 1.00 0.00 H new ATOM 0 HG LEU A 36 0.166 -5.510 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.837 -4.182 6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.911 -4.061 5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.313 -5.095 7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.071 -6.237 5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.970 -7.233 6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.225 -7.619 4.692 1.00 0.00 H new ATOM 549 N ASN A 37 -2.736 -7.257 2.213 1.00 0.00 N ATOM 550 CA ASN A 37 -2.603 -7.492 0.779 1.00 0.00 C ATOM 551 C ASN A 37 -3.330 -6.413 -0.018 1.00 0.00 C ATOM 552 O ASN A 37 -2.711 -5.661 -0.771 1.00 0.00 O ATOM 553 CB ASN A 37 -3.155 -8.871 0.414 1.00 0.00 C ATOM 554 CG ASN A 37 -2.122 -9.969 0.575 1.00 0.00 C ATOM 555 OD1 ASN A 37 -1.053 -9.925 -0.034 1.00 0.00 O ATOM 556 ND2 ASN A 37 -2.437 -10.961 1.399 1.00 0.00 N ATOM 0 H ASN A 37 -3.193 -8.012 2.724 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.543 -7.454 0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.017 -9.092 1.043 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.508 -8.857 -0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.781 -11.728 1.548 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.335 -10.956 1.883 1.00 0.00 H new ATOM 563 N GLU A 38 -4.646 -6.343 0.154 1.00 0.00 N ATOM 564 CA GLU A 38 -5.457 -5.356 -0.549 1.00 0.00 C ATOM 565 C GLU A 38 -4.940 -3.944 -0.291 1.00 0.00 C ATOM 566 O GLU A 38 -4.871 -3.120 -1.204 1.00 0.00 O ATOM 567 CB GLU A 38 -6.920 -5.462 -0.116 1.00 0.00 C ATOM 568 CG GLU A 38 -7.100 -6.013 1.289 1.00 0.00 C ATOM 569 CD GLU A 38 -8.321 -5.444 1.986 1.00 0.00 C ATOM 570 OE1 GLU A 38 -8.238 -4.307 2.496 1.00 0.00 O ATOM 571 OE2 GLU A 38 -9.359 -6.137 2.022 1.00 0.00 O ATOM 0 H GLU A 38 -5.173 -6.958 0.774 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.387 -5.561 -1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.379 -4.475 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.453 -6.102 -0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.186 -7.099 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.212 -5.789 1.880 1.00 0.00 H new ATOM 578 N ILE A 39 -4.579 -3.671 0.958 1.00 0.00 N ATOM 579 CA ILE A 39 -4.068 -2.360 1.336 1.00 0.00 C ATOM 580 C ILE A 39 -2.796 -2.022 0.566 1.00 0.00 C ATOM 581 O ILE A 39 -2.700 -0.969 -0.064 1.00 0.00 O ATOM 582 CB ILE A 39 -3.776 -2.283 2.846 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.080 -2.350 3.644 1.00 0.00 C ATOM 584 CG2 ILE A 39 -3.012 -1.009 3.174 1.00 0.00 C ATOM 585 CD1 ILE A 39 -4.879 -2.698 5.102 1.00 0.00 C ATOM 0 H ILE A 39 -4.631 -4.341 1.726 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.844 -1.636 1.087 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.157 -3.136 3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.588 -1.388 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.737 -3.091 3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.813 -0.969 4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.068 -1.000 2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.607 -0.143 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.845 -2.728 5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.399 -3.673 5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.248 -1.944 5.572 1.00 0.00 H new ATOM 597 N ARG A 40 -1.821 -2.924 0.620 1.00 0.00 N ATOM 598 CA ARG A 40 -0.554 -2.722 -0.073 1.00 0.00 C ATOM 599 C ARG A 40 -0.783 -2.461 -1.559 1.00 0.00 C ATOM 600 O ARG A 40 -0.404 -1.413 -2.079 1.00 0.00 O ATOM 601 CB ARG A 40 0.350 -3.943 0.108 1.00 0.00 C ATOM 602 CG ARG A 40 1.819 -3.658 -0.164 1.00 0.00 C ATOM 603 CD ARG A 40 2.598 -4.940 -0.411 1.00 0.00 C ATOM 604 NE ARG A 40 3.020 -5.574 0.835 1.00 0.00 N ATOM 605 CZ ARG A 40 3.486 -6.815 0.908 1.00 0.00 C ATOM 606 NH1 ARG A 40 3.591 -7.553 -0.189 1.00 0.00 N ATOM 607 NH2 ARG A 40 3.850 -7.321 2.079 1.00 0.00 N ATOM 0 H ARG A 40 -1.884 -3.801 1.136 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.066 -1.849 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.243 -4.316 1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.013 -4.736 -0.559 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.909 -3.003 -1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.251 -3.126 0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.981 -5.635 -0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.475 -4.720 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 40 2.953 -5.033 1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.313 -7.167 -1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.949 -8.506 -0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.772 -6.756 2.925 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.208 -8.275 2.133 1.00 0.00 H new ATOM 621 N GLU A 41 -1.404 -3.423 -2.235 1.00 0.00 N ATOM 622 CA GLU A 41 -1.682 -3.296 -3.661 1.00 0.00 C ATOM 623 C GLU A 41 -2.453 -2.013 -3.953 1.00 0.00 C ATOM 624 O GLU A 41 -2.269 -1.389 -4.999 1.00 0.00 O ATOM 625 CB GLU A 41 -2.476 -4.506 -4.157 1.00 0.00 C ATOM 626 CG GLU A 41 -3.981 -4.309 -4.106 1.00 0.00 C ATOM 627 CD GLU A 41 -4.744 -5.617 -4.183 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.425 -6.537 -3.401 1.00 0.00 O ATOM 629 OE2 GLU A 41 -5.661 -5.720 -5.025 1.00 0.00 O ATOM 0 H GLU A 41 -1.724 -4.298 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.729 -3.254 -4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.182 -4.727 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.211 -5.375 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.245 -3.793 -3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.287 -3.665 -4.930 1.00 0.00 H new ATOM 636 N ASP A 42 -3.318 -1.624 -3.023 1.00 0.00 N ATOM 637 CA ASP A 42 -4.118 -0.415 -3.179 1.00 0.00 C ATOM 638 C ASP A 42 -3.225 0.818 -3.281 1.00 0.00 C ATOM 639 O ASP A 42 -3.434 1.679 -4.136 1.00 0.00 O ATOM 640 CB ASP A 42 -5.087 -0.263 -2.005 1.00 0.00 C ATOM 641 CG ASP A 42 -6.419 -0.940 -2.262 1.00 0.00 C ATOM 642 OD1 ASP A 42 -6.881 -0.917 -3.422 1.00 0.00 O ATOM 643 OD2 ASP A 42 -6.999 -1.492 -1.304 1.00 0.00 O ATOM 0 H ASP A 42 -3.483 -2.129 -2.152 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.690 -0.505 -4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.635 -0.686 -1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.253 0.796 -1.810 1.00 0.00 H new ATOM 648 N LEU A 43 -2.232 0.896 -2.403 1.00 0.00 N ATOM 649 CA LEU A 43 -1.307 2.024 -2.393 1.00 0.00 C ATOM 650 C LEU A 43 -0.469 2.053 -3.667 1.00 0.00 C ATOM 651 O LEU A 43 -0.018 3.113 -4.102 1.00 0.00 O ATOM 652 CB LEU A 43 -0.392 1.948 -1.169 1.00 0.00 C ATOM 653 CG LEU A 43 -0.870 2.699 0.074 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.111 2.511 1.221 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.057 4.177 -0.234 1.00 0.00 C ATOM 0 H LEU A 43 -2.046 0.192 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.893 2.942 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.257 0.899 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.588 2.335 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.833 2.287 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.246 3.053 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.194 1.450 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.089 2.895 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.397 4.695 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.109 4.603 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.799 4.293 -1.024 1.00 0.00 H new ATOM 667 N ARG A 44 -0.268 0.883 -4.263 1.00 0.00 N ATOM 668 CA ARG A 44 0.515 0.774 -5.489 1.00 0.00 C ATOM 669 C ARG A 44 -0.335 1.119 -6.709 1.00 0.00 C ATOM 670 O ARG A 44 0.171 1.635 -7.705 1.00 0.00 O ATOM 671 CB ARG A 44 1.083 -0.639 -5.633 1.00 0.00 C ATOM 672 CG ARG A 44 2.412 -0.689 -6.369 1.00 0.00 C ATOM 673 CD ARG A 44 3.108 -2.026 -6.172 1.00 0.00 C ATOM 674 NE ARG A 44 4.053 -2.315 -7.248 1.00 0.00 N ATOM 675 CZ ARG A 44 3.698 -2.840 -8.415 1.00 0.00 C ATOM 676 NH1 ARG A 44 2.428 -3.131 -8.657 1.00 0.00 N ATOM 677 NH2 ARG A 44 4.616 -3.074 -9.345 1.00 0.00 N ATOM 0 H ARG A 44 -0.636 -0.003 -3.917 1.00 0.00 H new ATOM 0 HA ARG A 44 1.339 1.485 -5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.210 -1.073 -4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.360 -1.260 -6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.247 -0.517 -7.433 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.057 0.114 -6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.635 -2.023 -5.218 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.362 -2.819 -6.122 1.00 0.00 H new ATOM 0 HE ARG A 44 5.039 -2.102 -7.095 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.719 -2.952 -7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.159 -3.534 -9.555 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.595 -2.851 -9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.343 -3.477 -10.241 1.00 0.00 H new ATOM 691 N VAL A 45 -1.630 0.830 -6.622 1.00 0.00 N ATOM 692 CA VAL A 45 -2.550 1.110 -7.718 1.00 0.00 C ATOM 693 C VAL A 45 -3.093 2.532 -7.630 1.00 0.00 C ATOM 694 O VAL A 45 -3.520 3.106 -8.631 1.00 0.00 O ATOM 695 CB VAL A 45 -3.731 0.121 -7.725 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.246 -1.292 -7.436 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.789 0.547 -6.719 1.00 0.00 C ATOM 0 H VAL A 45 -2.065 0.402 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.985 0.997 -8.643 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.183 0.129 -8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.094 -1.977 -7.445 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.528 -1.593 -8.199 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.768 -1.319 -6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.616 -0.163 -6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.353 0.570 -5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.158 1.540 -6.977 1.00 0.00 H new ATOM 707 N GLU A 46 -3.073 3.094 -6.426 1.00 0.00 N ATOM 708 CA GLU A 46 -3.564 4.450 -6.208 1.00 0.00 C ATOM 709 C GLU A 46 -2.532 5.480 -6.656 1.00 0.00 C ATOM 710 O GLU A 46 -2.858 6.434 -7.363 1.00 0.00 O ATOM 711 CB GLU A 46 -3.904 4.661 -4.731 1.00 0.00 C ATOM 712 CG GLU A 46 -2.741 5.186 -3.907 1.00 0.00 C ATOM 713 CD GLU A 46 -3.150 5.572 -2.499 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.350 5.450 -2.177 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.271 5.996 -1.720 1.00 0.00 O ATOM 0 H GLU A 46 -2.722 2.632 -5.587 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.467 4.583 -6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.737 5.360 -4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.242 3.716 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.962 4.425 -3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.309 6.053 -4.406 1.00 0.00 H new ATOM 722 N CYS A 47 -1.286 5.282 -6.239 1.00 0.00 N ATOM 723 CA CYS A 47 -0.206 6.194 -6.595 1.00 0.00 C ATOM 724 C CYS A 47 0.251 5.962 -8.032 1.00 0.00 C ATOM 725 O CYS A 47 0.926 6.804 -8.623 1.00 0.00 O ATOM 726 CB CYS A 47 0.974 6.020 -5.638 1.00 0.00 C ATOM 727 SG CYS A 47 0.526 6.115 -3.889 1.00 0.00 S ATOM 0 H CYS A 47 -0.999 4.497 -5.654 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.584 7.213 -6.513 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.444 5.056 -5.830 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.719 6.786 -5.853 1.00 0.00 H new ATOM 0 HG CYS A 47 0.175 4.937 -3.466 1.00 0.00 H new ATOM 733 N SER A 48 -0.122 4.813 -8.587 1.00 0.00 N ATOM 734 CA SER A 48 0.254 4.466 -9.953 1.00 0.00 C ATOM 735 C SER A 48 -0.655 5.164 -10.960 1.00 0.00 C ATOM 736 O SER A 48 -0.295 5.335 -12.125 1.00 0.00 O ATOM 737 CB SER A 48 0.188 2.951 -10.154 1.00 0.00 C ATOM 738 OG SER A 48 0.146 2.621 -11.531 1.00 0.00 O ATOM 0 H SER A 48 -0.684 4.107 -8.112 1.00 0.00 H new ATOM 0 HA SER A 48 1.277 4.803 -10.118 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.056 2.481 -9.691 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.695 2.553 -9.654 1.00 0.00 H new ATOM 0 HG SER A 48 0.106 1.647 -11.633 1.00 0.00 H new ATOM 744 N LYS A 49 -1.836 5.566 -10.502 1.00 0.00 N ATOM 745 CA LYS A 49 -2.798 6.247 -11.360 1.00 0.00 C ATOM 746 C LYS A 49 -2.158 7.446 -12.051 1.00 0.00 C ATOM 747 O LYS A 49 -2.335 7.651 -13.252 1.00 0.00 O ATOM 748 CB LYS A 49 -4.009 6.703 -10.542 1.00 0.00 C ATOM 749 CG LYS A 49 -4.658 5.586 -9.742 1.00 0.00 C ATOM 750 CD LYS A 49 -4.988 4.391 -10.620 1.00 0.00 C ATOM 751 CE LYS A 49 -5.901 3.408 -9.903 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.339 3.718 -10.130 1.00 0.00 N ATOM 0 H LYS A 49 -2.150 5.432 -9.541 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.127 5.543 -12.124 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.699 7.494 -9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.750 7.134 -11.215 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.989 5.275 -8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.569 5.956 -9.272 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.468 4.733 -11.537 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.067 3.887 -10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.689 2.397 -10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.689 3.430 -8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.927 3.025 -9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.548 4.673 -9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.548 3.672 -11.148 1.00 0.00 H new ATOM 766 N PHE A 50 -1.411 8.235 -11.286 1.00 0.00 N ATOM 767 CA PHE A 50 -0.743 9.414 -11.825 1.00 0.00 C ATOM 768 C PHE A 50 0.508 9.021 -12.606 1.00 0.00 C ATOM 769 O PHE A 50 0.889 9.689 -13.567 1.00 0.00 O ATOM 770 CB PHE A 50 -0.372 10.378 -10.696 1.00 0.00 C ATOM 771 CG PHE A 50 -1.407 10.456 -9.611 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.467 9.489 -8.621 1.00 0.00 C ATOM 773 CD2 PHE A 50 -2.321 11.498 -9.581 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.419 9.559 -7.621 1.00 0.00 C ATOM 775 CE2 PHE A 50 -3.275 11.573 -8.583 1.00 0.00 C ATOM 776 CZ PHE A 50 -3.323 10.602 -7.602 1.00 0.00 C ATOM 0 H PHE A 50 -1.253 8.079 -10.290 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.433 9.912 -12.506 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.577 10.066 -10.260 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.219 11.373 -11.114 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.762 8.671 -8.630 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.287 12.260 -10.346 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.455 8.798 -6.855 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.982 12.390 -8.571 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.067 10.659 -6.821 1.00 0.00 H new ATOM 786 N GLY A 51 1.144 7.932 -12.184 1.00 0.00 N ATOM 787 CA GLY A 51 2.346 7.469 -12.853 1.00 0.00 C ATOM 788 C GLY A 51 2.648 6.013 -12.559 1.00 0.00 C ATOM 789 O GLY A 51 1.964 5.119 -13.054 1.00 0.00 O ATOM 0 H GLY A 51 0.848 7.362 -11.391 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.234 7.604 -13.929 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.191 8.083 -12.541 1.00 0.00 H new ATOM 793 N GLN A 52 3.677 5.776 -11.752 1.00 0.00 N ATOM 794 CA GLN A 52 4.070 4.417 -11.395 1.00 0.00 C ATOM 795 C GLN A 52 4.600 4.362 -9.966 1.00 0.00 C ATOM 796 O GLN A 52 4.644 5.377 -9.270 1.00 0.00 O ATOM 797 CB GLN A 52 5.132 3.900 -12.366 1.00 0.00 C ATOM 798 CG GLN A 52 4.576 3.512 -13.726 1.00 0.00 C ATOM 799 CD GLN A 52 5.656 3.075 -14.696 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.557 3.846 -15.029 1.00 0.00 O ATOM 801 NE2 GLN A 52 5.573 1.832 -15.155 1.00 0.00 N ATOM 0 H GLN A 52 4.253 6.506 -11.333 1.00 0.00 H new ATOM 0 HA GLN A 52 3.188 3.781 -11.460 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.894 4.668 -12.500 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.626 3.034 -11.924 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.856 2.703 -13.602 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.035 4.359 -14.148 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.810 1.227 -14.853 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.273 1.482 -15.810 1.00 0.00 H new ATOM 810 N ILE A 53 5.001 3.170 -9.535 1.00 0.00 N ATOM 811 CA ILE A 53 5.528 2.983 -8.189 1.00 0.00 C ATOM 812 C ILE A 53 6.914 2.349 -8.225 1.00 0.00 C ATOM 813 O ILE A 53 7.057 1.160 -8.514 1.00 0.00 O ATOM 814 CB ILE A 53 4.595 2.104 -7.336 1.00 0.00 C ATOM 815 CG1 ILE A 53 3.143 2.275 -7.787 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.742 2.450 -5.862 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.566 3.635 -7.461 1.00 0.00 C ATOM 0 H ILE A 53 4.971 2.320 -10.098 1.00 0.00 H new ATOM 0 HA ILE A 53 5.595 3.972 -7.736 1.00 0.00 H new ATOM 0 HB ILE A 53 4.878 1.060 -7.474 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.084 2.112 -8.863 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.531 1.507 -7.314 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.076 1.820 -5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.772 2.281 -5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.483 3.497 -5.707 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.534 3.686 -7.809 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.593 3.793 -6.383 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.154 4.408 -7.956 1.00 0.00 H new ATOM 829 N ARG A 54 7.933 3.149 -7.929 1.00 0.00 N ATOM 830 CA ARG A 54 9.308 2.666 -7.926 1.00 0.00 C ATOM 831 C ARG A 54 9.567 1.768 -6.720 1.00 0.00 C ATOM 832 O ARG A 54 10.430 0.890 -6.758 1.00 0.00 O ATOM 833 CB ARG A 54 10.285 3.843 -7.919 1.00 0.00 C ATOM 834 CG ARG A 54 10.456 4.501 -9.278 1.00 0.00 C ATOM 835 CD ARG A 54 9.135 4.589 -10.025 1.00 0.00 C ATOM 836 NE ARG A 54 8.772 3.319 -10.648 1.00 0.00 N ATOM 837 CZ ARG A 54 9.403 2.811 -11.701 1.00 0.00 C ATOM 838 NH1 ARG A 54 10.422 3.462 -12.245 1.00 0.00 N ATOM 839 NH2 ARG A 54 9.014 1.650 -12.212 1.00 0.00 N ATOM 0 H ARG A 54 7.832 4.135 -7.688 1.00 0.00 H new ATOM 0 HA ARG A 54 9.462 2.080 -8.832 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.937 4.589 -7.205 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.257 3.495 -7.568 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.870 5.501 -9.150 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.173 3.933 -9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.348 4.892 -9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.202 5.362 -10.791 1.00 0.00 H new ATOM 0 HE ARG A 54 7.992 2.794 -10.253 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.723 4.355 -11.855 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.905 3.070 -13.053 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.230 1.147 -11.796 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.499 1.261 -13.020 1.00 0.00 H new ATOM 853 N LYS A 55 8.815 1.995 -5.648 1.00 0.00 N ATOM 854 CA LYS A 55 8.962 1.208 -4.429 1.00 0.00 C ATOM 855 C LYS A 55 7.768 1.413 -3.502 1.00 0.00 C ATOM 856 O LYS A 55 7.347 2.544 -3.256 1.00 0.00 O ATOM 857 CB LYS A 55 10.255 1.588 -3.704 1.00 0.00 C ATOM 858 CG LYS A 55 11.382 0.591 -3.909 1.00 0.00 C ATOM 859 CD LYS A 55 11.410 -0.454 -2.807 1.00 0.00 C ATOM 860 CE LYS A 55 10.469 -1.610 -3.111 1.00 0.00 C ATOM 861 NZ LYS A 55 10.762 -2.230 -4.433 1.00 0.00 N ATOM 0 H LYS A 55 8.097 2.718 -5.599 1.00 0.00 H new ATOM 0 HA LYS A 55 9.006 0.156 -4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.581 2.569 -4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.051 1.678 -2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.263 0.100 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.335 1.119 -3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.426 -0.832 -2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.128 0.007 -1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.556 -2.364 -2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.439 -1.253 -3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.478 -3.230 -4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.232 -1.731 -5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.781 -2.162 -4.630 1.00 0.00 H new ATOM 875 N LEU A 56 7.227 0.313 -2.990 1.00 0.00 N ATOM 876 CA LEU A 56 6.082 0.373 -2.088 1.00 0.00 C ATOM 877 C LEU A 56 6.356 -0.409 -0.807 1.00 0.00 C ATOM 878 O LEU A 56 6.458 -1.636 -0.826 1.00 0.00 O ATOM 879 CB LEU A 56 4.834 -0.180 -2.779 1.00 0.00 C ATOM 880 CG LEU A 56 3.495 0.374 -2.291 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.138 1.647 -3.042 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.397 -0.667 -2.451 1.00 0.00 C ATOM 0 H LEU A 56 7.562 -0.631 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 56 5.912 1.417 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.918 0.017 -3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.824 -1.263 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 56 3.588 0.615 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.182 2.026 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.912 2.396 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.064 1.432 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.451 -0.255 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.305 -0.940 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.647 -1.553 -1.867 1.00 0.00 H new ATOM 894 N LEU A 57 6.472 0.309 0.304 1.00 0.00 N ATOM 895 CA LEU A 57 6.733 -0.317 1.596 1.00 0.00 C ATOM 896 C LEU A 57 5.581 -0.067 2.564 1.00 0.00 C ATOM 897 O LEU A 57 5.192 1.078 2.801 1.00 0.00 O ATOM 898 CB LEU A 57 8.038 0.216 2.190 1.00 0.00 C ATOM 899 CG LEU A 57 9.327 -0.313 1.561 1.00 0.00 C ATOM 900 CD1 LEU A 57 9.118 -0.607 0.083 1.00 0.00 C ATOM 901 CD2 LEU A 57 10.462 0.682 1.753 1.00 0.00 C ATOM 0 H LEU A 57 6.390 1.325 0.337 1.00 0.00 H new ATOM 0 HA LEU A 57 6.825 -1.392 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.035 1.303 2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.053 -0.021 3.254 1.00 0.00 H new ATOM 0 HG LEU A 57 9.597 -1.243 2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.046 -0.983 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.335 -1.357 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.823 0.307 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.371 0.289 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.200 1.628 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.629 0.843 2.818 1.00 0.00 H new ATOM 913 N LEU A 58 5.040 -1.144 3.123 1.00 0.00 N ATOM 914 CA LEU A 58 3.934 -1.042 4.068 1.00 0.00 C ATOM 915 C LEU A 58 4.403 -1.337 5.489 1.00 0.00 C ATOM 916 O LEU A 58 4.779 -2.465 5.808 1.00 0.00 O ATOM 917 CB LEU A 58 2.813 -2.008 3.678 1.00 0.00 C ATOM 918 CG LEU A 58 1.391 -1.558 4.016 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.372 -2.495 3.387 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.198 -1.491 5.524 1.00 0.00 C ATOM 0 H LEU A 58 5.350 -2.098 2.938 1.00 0.00 H new ATOM 0 HA LEU A 58 3.554 -0.021 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.871 -2.185 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.997 -2.963 4.169 1.00 0.00 H new ATOM 0 HG LEU A 58 1.238 -0.560 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.634 -2.160 3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.496 -2.493 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.523 -3.505 3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.181 -1.169 5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.370 -2.476 5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.905 -0.779 5.950 1.00 0.00 H new ATOM 932 N PHE A 59 4.375 -0.316 6.339 1.00 0.00 N ATOM 933 CA PHE A 59 4.796 -0.466 7.728 1.00 0.00 C ATOM 934 C PHE A 59 3.659 -1.014 8.585 1.00 0.00 C ATOM 935 O PHE A 59 3.188 -0.350 9.509 1.00 0.00 O ATOM 936 CB PHE A 59 5.269 0.878 8.287 1.00 0.00 C ATOM 937 CG PHE A 59 6.240 1.592 7.390 1.00 0.00 C ATOM 938 CD1 PHE A 59 6.999 0.888 6.469 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.393 2.967 7.468 1.00 0.00 C ATOM 940 CE1 PHE A 59 7.893 1.542 5.642 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.284 3.626 6.643 1.00 0.00 C ATOM 942 CZ PHE A 59 8.036 2.913 5.730 1.00 0.00 C ATOM 0 H PHE A 59 4.066 0.624 6.091 1.00 0.00 H new ATOM 0 HA PHE A 59 5.623 -1.175 7.756 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.403 1.518 8.454 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.736 0.714 9.258 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.891 -0.184 6.396 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.809 3.530 8.182 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.479 0.982 4.928 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.392 4.698 6.712 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.735 3.426 5.086 1.00 0.00 H new ATOM 952 N ASP A 60 3.222 -2.228 8.271 1.00 0.00 N ATOM 953 CA ASP A 60 2.140 -2.867 9.012 1.00 0.00 C ATOM 954 C ASP A 60 2.368 -2.749 10.516 1.00 0.00 C ATOM 955 O ASP A 60 1.419 -2.752 11.299 1.00 0.00 O ATOM 956 CB ASP A 60 2.022 -4.340 8.616 1.00 0.00 C ATOM 957 CG ASP A 60 3.294 -5.117 8.891 1.00 0.00 C ATOM 958 OD1 ASP A 60 4.349 -4.743 8.338 1.00 0.00 O ATOM 959 OD2 ASP A 60 3.234 -6.101 9.659 1.00 0.00 O ATOM 0 H ASP A 60 3.600 -2.790 7.508 1.00 0.00 H new ATOM 0 HA ASP A 60 1.210 -2.356 8.762 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.196 -4.795 9.163 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.779 -4.410 7.556 1.00 0.00 H new ATOM 964 N ARG A 61 3.633 -2.647 10.911 1.00 0.00 N ATOM 965 CA ARG A 61 3.985 -2.530 12.321 1.00 0.00 C ATOM 966 C ARG A 61 3.293 -1.328 12.957 1.00 0.00 C ATOM 967 O ARG A 61 2.517 -1.473 13.902 1.00 0.00 O ATOM 968 CB ARG A 61 5.501 -2.403 12.481 1.00 0.00 C ATOM 969 CG ARG A 61 6.213 -3.739 12.624 1.00 0.00 C ATOM 970 CD ARG A 61 6.190 -4.524 11.322 1.00 0.00 C ATOM 971 NE ARG A 61 7.359 -5.389 11.184 1.00 0.00 N ATOM 972 CZ ARG A 61 7.717 -5.964 10.041 1.00 0.00 C ATOM 973 NH1 ARG A 61 7.002 -5.766 8.943 1.00 0.00 N ATOM 974 NH2 ARG A 61 8.793 -6.738 9.995 1.00 0.00 N ATOM 0 H ARG A 61 4.430 -2.643 10.275 1.00 0.00 H new ATOM 0 HA ARG A 61 3.647 -3.433 12.830 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.906 -1.876 11.617 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.715 -1.791 13.357 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.245 -3.571 12.931 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.737 -4.324 13.411 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.284 -5.129 11.279 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.150 -3.831 10.482 1.00 0.00 H new ATOM 0 HE ARG A 61 7.932 -5.561 12.010 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.174 -5.171 8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.279 -6.209 8.067 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.347 -6.892 10.838 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.067 -7.179 9.117 1.00 0.00 H new ATOM 988 N HIS A 62 3.581 -0.141 12.433 1.00 0.00 N ATOM 989 CA HIS A 62 2.986 1.087 12.949 1.00 0.00 C ATOM 990 C HIS A 62 1.472 0.948 13.070 1.00 0.00 C ATOM 991 O HIS A 62 0.761 0.755 12.083 1.00 0.00 O ATOM 992 CB HIS A 62 3.331 2.267 12.040 1.00 0.00 C ATOM 993 CG HIS A 62 3.605 3.537 12.785 1.00 0.00 C ATOM 994 ND1 HIS A 62 2.707 4.102 13.665 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.686 4.352 12.777 1.00 0.00 C ATOM 996 CE1 HIS A 62 3.222 5.210 14.166 1.00 0.00 C ATOM 997 NE2 HIS A 62 4.423 5.384 13.644 1.00 0.00 N ATOM 0 H HIS A 62 4.222 -0.003 11.652 1.00 0.00 H new ATOM 0 HA HIS A 62 3.396 1.271 13.942 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.205 2.011 11.442 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.507 2.433 11.346 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.587 4.216 12.197 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.743 5.863 14.881 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.053 6.159 13.851 1.00 0.00 H new ATOM 1005 N PRO A 63 0.965 1.048 14.308 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.470 0.936 14.587 1.00 0.00 C ATOM 1007 C PRO A 63 -1.257 2.132 14.062 1.00 0.00 C ATOM 1008 O PRO A 63 -2.467 2.231 14.271 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.531 0.885 16.116 1.00 0.00 C ATOM 1010 CG PRO A 63 0.707 1.579 16.568 1.00 0.00 C ATOM 1011 CD PRO A 63 1.753 1.278 15.530 1.00 0.00 C ATOM 0 HA PRO A 63 -0.914 0.068 14.100 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.424 1.383 16.493 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.563 -0.143 16.477 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.542 2.653 16.656 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.018 1.223 17.550 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.449 2.108 15.409 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.344 0.402 15.798 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.565 3.038 13.381 1.00 0.00 N ATOM 1020 CA ASP A 64 -1.200 4.227 12.825 1.00 0.00 C ATOM 1021 C ASP A 64 -1.268 4.145 11.303 1.00 0.00 C ATOM 1022 O ASP A 64 -1.354 5.165 10.620 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.437 5.483 13.247 1.00 0.00 C ATOM 1024 CG ASP A 64 -0.371 5.641 14.754 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -1.264 5.108 15.445 1.00 0.00 O ATOM 1026 OD2 ASP A 64 0.572 6.299 15.241 1.00 0.00 O ATOM 0 H ASP A 64 0.437 2.972 13.200 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.217 4.282 13.214 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.575 5.442 12.844 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.918 6.360 12.813 1.00 0.00 H new ATOM 1031 N GLY A 65 -1.226 2.924 10.778 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.283 2.732 9.340 1.00 0.00 C ATOM 1033 C GLY A 65 -0.320 3.637 8.597 1.00 0.00 C ATOM 1034 O GLY A 65 -0.731 4.622 7.983 1.00 0.00 O ATOM 0 H GLY A 65 -1.154 2.065 11.323 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.054 1.692 9.106 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.298 2.922 8.991 1.00 0.00 H new ATOM 1038 N VAL A 66 0.965 3.304 8.652 1.00 0.00 N ATOM 1039 CA VAL A 66 1.989 4.094 7.979 1.00 0.00 C ATOM 1040 C VAL A 66 2.591 3.329 6.806 1.00 0.00 C ATOM 1041 O VAL A 66 2.935 2.154 6.929 1.00 0.00 O ATOM 1042 CB VAL A 66 3.117 4.495 8.949 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.189 5.292 8.221 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.555 5.286 10.120 1.00 0.00 C ATOM 0 H VAL A 66 1.322 2.492 9.156 1.00 0.00 H new ATOM 0 HA VAL A 66 1.500 4.995 7.609 1.00 0.00 H new ATOM 0 HB VAL A 66 3.577 3.587 9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.977 5.566 8.922 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.611 4.686 7.419 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.748 6.195 7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.365 5.561 10.795 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.069 6.189 9.750 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.828 4.676 10.656 1.00 0.00 H new ATOM 1054 N ALA A 67 2.715 4.004 5.668 1.00 0.00 N ATOM 1055 CA ALA A 67 3.278 3.388 4.472 1.00 0.00 C ATOM 1056 C ALA A 67 4.284 4.316 3.799 1.00 0.00 C ATOM 1057 O ALA A 67 4.388 5.492 4.147 1.00 0.00 O ATOM 1058 CB ALA A 67 2.169 3.014 3.500 1.00 0.00 C ATOM 0 H ALA A 67 2.433 4.977 5.549 1.00 0.00 H new ATOM 0 HA ALA A 67 3.804 2.482 4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.603 2.555 2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.489 2.308 3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.619 3.910 3.213 1.00 0.00 H new ATOM 1064 N SER A 68 5.023 3.779 2.834 1.00 0.00 N ATOM 1065 CA SER A 68 6.024 4.557 2.114 1.00 0.00 C ATOM 1066 C SER A 68 5.934 4.304 0.613 1.00 0.00 C ATOM 1067 O SER A 68 6.389 3.272 0.117 1.00 0.00 O ATOM 1068 CB SER A 68 7.427 4.213 2.618 1.00 0.00 C ATOM 1069 OG SER A 68 8.411 4.998 1.965 1.00 0.00 O ATOM 0 H SER A 68 4.947 2.808 2.532 1.00 0.00 H new ATOM 0 HA SER A 68 5.828 5.613 2.298 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.481 4.378 3.694 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.629 3.156 2.447 1.00 0.00 H new ATOM 0 HG SER A 68 9.298 4.760 2.306 1.00 0.00 H new ATOM 1075 N VAL A 69 5.344 5.253 -0.107 1.00 0.00 N ATOM 1076 CA VAL A 69 5.194 5.134 -1.553 1.00 0.00 C ATOM 1077 C VAL A 69 6.260 5.943 -2.284 1.00 0.00 C ATOM 1078 O VAL A 69 6.196 7.171 -2.334 1.00 0.00 O ATOM 1079 CB VAL A 69 3.802 5.605 -2.013 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.507 5.104 -3.419 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.733 5.139 -1.037 1.00 0.00 C ATOM 0 H VAL A 69 4.962 6.113 0.287 1.00 0.00 H new ATOM 0 HA VAL A 69 5.311 4.078 -1.798 1.00 0.00 H new ATOM 0 HB VAL A 69 3.794 6.695 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.519 5.446 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.257 5.492 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.533 4.014 -3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.756 5.481 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.739 4.050 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.938 5.552 -0.049 1.00 0.00 H new ATOM 1091 N SER A 70 7.239 5.245 -2.850 1.00 0.00 N ATOM 1092 CA SER A 70 8.322 5.898 -3.577 1.00 0.00 C ATOM 1093 C SER A 70 7.883 6.267 -4.991 1.00 0.00 C ATOM 1094 O SER A 70 7.142 5.524 -5.636 1.00 0.00 O ATOM 1095 CB SER A 70 9.550 4.987 -3.633 1.00 0.00 C ATOM 1096 OG SER A 70 10.560 5.542 -4.457 1.00 0.00 O ATOM 0 H SER A 70 7.305 4.228 -2.819 1.00 0.00 H new ATOM 0 HA SER A 70 8.582 6.814 -3.046 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.940 4.835 -2.627 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.263 4.007 -4.015 1.00 0.00 H new ATOM 0 HG SER A 70 11.334 4.942 -4.475 1.00 0.00 H new ATOM 1102 N PHE A 71 8.345 7.418 -5.466 1.00 0.00 N ATOM 1103 CA PHE A 71 8.000 7.887 -6.803 1.00 0.00 C ATOM 1104 C PHE A 71 9.256 8.182 -7.617 1.00 0.00 C ATOM 1105 O PHE A 71 10.371 8.133 -7.097 1.00 0.00 O ATOM 1106 CB PHE A 71 7.128 9.141 -6.717 1.00 0.00 C ATOM 1107 CG PHE A 71 5.798 8.904 -6.060 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.707 8.751 -4.686 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.640 8.833 -6.817 1.00 0.00 C ATOM 1110 CE1 PHE A 71 4.485 8.532 -4.079 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.415 8.614 -6.215 1.00 0.00 C ATOM 1112 CZ PHE A 71 3.337 8.464 -4.845 1.00 0.00 C ATOM 0 H PHE A 71 8.959 8.044 -4.945 1.00 0.00 H new ATOM 0 HA PHE A 71 7.441 7.097 -7.305 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.666 9.910 -6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.963 9.529 -7.722 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.601 8.803 -4.083 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.695 8.950 -7.889 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.427 8.414 -3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.519 8.560 -6.816 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.381 8.294 -4.373 1.00 0.00 H new ATOM 1122 N ARG A 72 9.067 8.488 -8.896 1.00 0.00 N ATOM 1123 CA ARG A 72 10.184 8.789 -9.783 1.00 0.00 C ATOM 1124 C ARG A 72 10.081 10.212 -10.325 1.00 0.00 C ATOM 1125 O ARG A 72 11.091 10.888 -10.518 1.00 0.00 O ATOM 1126 CB ARG A 72 10.225 7.792 -10.943 1.00 0.00 C ATOM 1127 CG ARG A 72 11.175 8.195 -12.059 1.00 0.00 C ATOM 1128 CD ARG A 72 12.628 8.040 -11.638 1.00 0.00 C ATOM 1129 NE ARG A 72 13.513 7.852 -12.785 1.00 0.00 N ATOM 1130 CZ ARG A 72 14.706 7.274 -12.705 1.00 0.00 C ATOM 1131 NH1 ARG A 72 15.154 6.830 -11.539 1.00 0.00 N ATOM 1132 NH2 ARG A 72 15.453 7.139 -13.793 1.00 0.00 N ATOM 0 H ARG A 72 8.151 8.534 -9.341 1.00 0.00 H new ATOM 0 HA ARG A 72 11.105 8.704 -9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.521 6.815 -10.561 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.221 7.683 -11.353 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.983 7.583 -12.940 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.986 9.230 -12.343 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.940 8.923 -11.080 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.721 7.188 -10.965 1.00 0.00 H new ATOM 0 HE ARG A 72 13.197 8.183 -13.697 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.582 6.932 -10.701 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.071 6.386 -11.480 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.111 7.479 -14.692 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.369 6.695 -13.731 1.00 0.00 H new ATOM 1146 N ASP A 73 8.853 10.658 -10.568 1.00 0.00 N ATOM 1147 CA ASP A 73 8.617 12.001 -11.087 1.00 0.00 C ATOM 1148 C ASP A 73 8.103 12.925 -9.988 1.00 0.00 C ATOM 1149 O ASP A 73 7.268 12.548 -9.166 1.00 0.00 O ATOM 1150 CB ASP A 73 7.616 11.955 -12.242 1.00 0.00 C ATOM 1151 CG ASP A 73 8.266 11.571 -13.557 1.00 0.00 C ATOM 1152 OD1 ASP A 73 9.082 10.625 -13.561 1.00 0.00 O ATOM 1153 OD2 ASP A 73 7.959 12.216 -14.582 1.00 0.00 O ATOM 0 H ASP A 73 8.007 10.110 -10.414 1.00 0.00 H new ATOM 0 HA ASP A 73 9.565 12.395 -11.454 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.828 11.240 -12.007 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.141 12.930 -12.346 1.00 0.00 H new ATOM 1158 N PRO A 74 8.613 14.165 -9.971 1.00 0.00 N ATOM 1159 CA PRO A 74 8.221 15.169 -8.977 1.00 0.00 C ATOM 1160 C PRO A 74 6.789 15.655 -9.179 1.00 0.00 C ATOM 1161 O PRO A 74 6.087 15.959 -8.216 1.00 0.00 O ATOM 1162 CB PRO A 74 9.212 16.311 -9.216 1.00 0.00 C ATOM 1163 CG PRO A 74 9.628 16.161 -10.638 1.00 0.00 C ATOM 1164 CD PRO A 74 9.613 14.684 -10.920 1.00 0.00 C ATOM 0 HA PRO A 74 8.246 14.770 -7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.748 17.281 -9.040 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.067 16.240 -8.544 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.946 16.692 -11.302 1.00 0.00 H new ATOM 0 HG3 PRO A 74 10.621 16.579 -10.800 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.333 14.475 -11.953 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.592 14.234 -10.758 1.00 0.00 H new ATOM 1172 N GLU A 75 6.365 15.726 -10.437 1.00 0.00 N ATOM 1173 CA GLU A 75 5.017 16.176 -10.763 1.00 0.00 C ATOM 1174 C GLU A 75 3.973 15.202 -10.223 1.00 0.00 C ATOM 1175 O GLU A 75 2.948 15.615 -9.680 1.00 0.00 O ATOM 1176 CB GLU A 75 4.857 16.323 -12.278 1.00 0.00 C ATOM 1177 CG GLU A 75 5.879 17.252 -12.910 1.00 0.00 C ATOM 1178 CD GLU A 75 5.401 17.839 -14.224 1.00 0.00 C ATOM 1179 OE1 GLU A 75 4.523 18.727 -14.192 1.00 0.00 O ATOM 1180 OE2 GLU A 75 5.903 17.410 -15.284 1.00 0.00 O ATOM 0 H GLU A 75 6.935 15.478 -11.246 1.00 0.00 H new ATOM 0 HA GLU A 75 4.862 17.147 -10.292 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.938 15.339 -12.741 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.856 16.696 -12.495 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.106 18.061 -12.216 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.807 16.705 -13.077 1.00 0.00 H new ATOM 1187 N GLU A 76 4.242 13.910 -10.376 1.00 0.00 N ATOM 1188 CA GLU A 76 3.325 12.878 -9.905 1.00 0.00 C ATOM 1189 C GLU A 76 3.179 12.932 -8.387 1.00 0.00 C ATOM 1190 O GLU A 76 2.108 13.241 -7.866 1.00 0.00 O ATOM 1191 CB GLU A 76 3.817 11.494 -10.332 1.00 0.00 C ATOM 1192 CG GLU A 76 3.329 11.072 -11.708 1.00 0.00 C ATOM 1193 CD GLU A 76 3.426 12.190 -12.729 1.00 0.00 C ATOM 1194 OE1 GLU A 76 4.559 12.536 -13.123 1.00 0.00 O ATOM 1195 OE2 GLU A 76 2.369 12.717 -13.133 1.00 0.00 O ATOM 0 H GLU A 76 5.087 13.552 -10.822 1.00 0.00 H new ATOM 0 HA GLU A 76 2.349 13.063 -10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.907 11.487 -10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.488 10.758 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.915 10.219 -12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.294 10.739 -11.636 1.00 0.00 H new ATOM 1202 N ALA A 77 4.265 12.629 -7.683 1.00 0.00 N ATOM 1203 CA ALA A 77 4.259 12.644 -6.226 1.00 0.00 C ATOM 1204 C ALA A 77 3.636 13.930 -5.692 1.00 0.00 C ATOM 1205 O ALA A 77 2.591 13.901 -5.042 1.00 0.00 O ATOM 1206 CB ALA A 77 5.674 12.480 -5.690 1.00 0.00 C ATOM 0 H ALA A 77 5.160 12.370 -8.099 1.00 0.00 H new ATOM 0 HA ALA A 77 3.652 11.807 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.654 12.493 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.086 11.531 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.297 13.298 -6.051 1.00 0.00 H new ATOM 1212 N ASP A 78 4.284 15.055 -5.971 1.00 0.00 N ATOM 1213 CA ASP A 78 3.793 16.352 -5.519 1.00 0.00 C ATOM 1214 C ASP A 78 2.299 16.493 -5.793 1.00 0.00 C ATOM 1215 O ASP A 78 1.603 17.254 -5.121 1.00 0.00 O ATOM 1216 CB ASP A 78 4.560 17.481 -6.210 1.00 0.00 C ATOM 1217 CG ASP A 78 3.978 18.847 -5.906 1.00 0.00 C ATOM 1218 OD1 ASP A 78 2.844 19.122 -6.353 1.00 0.00 O ATOM 1219 OD2 ASP A 78 4.655 19.641 -5.222 1.00 0.00 O ATOM 0 H ASP A 78 5.150 15.096 -6.508 1.00 0.00 H new ATOM 0 HA ASP A 78 3.955 16.419 -4.443 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.603 17.455 -5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.550 17.317 -7.287 1.00 0.00 H new ATOM 1224 N TYR A 79 1.813 15.756 -6.786 1.00 0.00 N ATOM 1225 CA TYR A 79 0.403 15.802 -7.152 1.00 0.00 C ATOM 1226 C TYR A 79 -0.363 14.647 -6.513 1.00 0.00 C ATOM 1227 O TYR A 79 -1.585 14.703 -6.366 1.00 0.00 O ATOM 1228 CB TYR A 79 0.247 15.753 -8.673 1.00 0.00 C ATOM 1229 CG TYR A 79 -1.193 15.766 -9.135 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -2.195 16.298 -8.333 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.551 15.246 -10.372 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.512 16.311 -8.750 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.865 15.256 -10.798 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.842 15.790 -9.984 1.00 0.00 C ATOM 1235 OH TYR A 79 -5.152 15.801 -10.404 1.00 0.00 O ATOM 0 H TYR A 79 2.375 15.120 -7.351 1.00 0.00 H new ATOM 0 HA TYR A 79 -0.012 16.739 -6.781 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.768 16.605 -9.111 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.733 14.853 -9.051 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.940 16.708 -7.367 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.789 14.827 -11.012 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.279 16.727 -8.113 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.126 14.848 -11.763 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.213 15.398 -11.295 1.00 0.00 H new ATOM 1245 N CYS A 80 0.363 13.601 -6.136 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.246 12.431 -5.513 1.00 0.00 C ATOM 1247 C CYS A 80 -0.490 12.672 -4.027 1.00 0.00 C ATOM 1248 O CYS A 80 -1.470 12.186 -3.462 1.00 0.00 O ATOM 1249 CB CYS A 80 0.645 11.203 -5.704 1.00 0.00 C ATOM 1250 SG CYS A 80 0.915 10.748 -7.433 1.00 0.00 S ATOM 0 H CYS A 80 1.375 13.539 -6.251 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.207 12.251 -5.996 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.610 11.391 -5.234 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.196 10.357 -5.183 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.205 10.343 -7.955 1.00 0.00 H new ATOM 1256 N ILE A 81 0.409 13.422 -3.399 1.00 0.00 N ATOM 1257 CA ILE A 81 0.292 13.726 -1.979 1.00 0.00 C ATOM 1258 C ILE A 81 -0.879 14.667 -1.712 1.00 0.00 C ATOM 1259 O ILE A 81 -1.403 14.721 -0.600 1.00 0.00 O ATOM 1260 CB ILE A 81 1.583 14.363 -1.431 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.701 15.815 -1.901 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.797 13.559 -1.868 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.944 16.795 -1.033 1.00 0.00 C ATOM 0 H ILE A 81 1.227 13.830 -3.852 1.00 0.00 H new ATOM 0 HA ILE A 81 0.118 12.779 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 81 1.540 14.356 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.754 16.097 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.332 15.888 -2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.701 14.022 -1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.715 12.541 -1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.846 13.537 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.073 17.804 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.115 16.538 -1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.328 16.751 -0.014 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.284 15.404 -2.741 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.393 16.342 -2.618 1.00 0.00 C ATOM 1277 C GLN A 82 -3.715 15.672 -2.981 1.00 0.00 C ATOM 1278 O GLN A 82 -4.779 16.080 -2.515 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.162 17.560 -3.515 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.649 17.205 -4.902 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.535 18.414 -5.808 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.479 18.765 -6.517 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.375 19.060 -5.791 1.00 0.00 N ATOM 0 H GLN A 82 -0.861 15.370 -3.669 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.445 16.670 -1.580 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.097 18.112 -3.613 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.448 18.227 -3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.673 16.729 -4.813 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.319 16.476 -5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.381 18.735 -5.188 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.240 19.881 -6.381 1.00 0.00 H new ATOM 1292 N THR A 83 -3.640 14.642 -3.818 1.00 0.00 N ATOM 1293 CA THR A 83 -4.830 13.916 -4.245 1.00 0.00 C ATOM 1294 C THR A 83 -5.059 12.680 -3.382 1.00 0.00 C ATOM 1295 O THR A 83 -6.182 12.184 -3.277 1.00 0.00 O ATOM 1296 CB THR A 83 -4.727 13.487 -5.720 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.936 14.616 -6.575 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.747 12.405 -6.042 1.00 0.00 C ATOM 0 H THR A 83 -2.768 14.292 -4.214 1.00 0.00 H new ATOM 0 HA THR A 83 -5.674 14.597 -4.131 1.00 0.00 H new ATOM 0 HB THR A 83 -3.728 13.084 -5.889 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.127 14.780 -7.104 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.655 12.118 -7.090 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.566 11.535 -5.410 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.752 12.785 -5.857 1.00 0.00 H new ATOM 1306 N LEU A 84 -3.990 12.187 -2.767 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.075 11.008 -1.912 1.00 0.00 C ATOM 1308 C LEU A 84 -4.315 11.406 -0.459 1.00 0.00 C ATOM 1309 O LEU A 84 -4.541 10.552 0.399 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.793 10.182 -2.021 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.503 9.570 -3.392 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.148 8.879 -3.393 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.602 8.592 -3.782 1.00 0.00 C ATOM 0 H LEU A 84 -3.054 12.585 -2.844 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.918 10.405 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.951 10.816 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.840 9.376 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.479 10.373 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.959 8.450 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.369 9.605 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.143 8.087 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.380 8.166 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.658 7.793 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.557 9.115 -3.823 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.268 12.706 -0.191 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.484 13.217 1.158 1.00 0.00 C ATOM 1327 C ASP A 85 -5.946 13.067 1.568 1.00 0.00 C ATOM 1328 O ASP A 85 -6.297 13.256 2.732 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.065 14.685 1.243 1.00 0.00 C ATOM 1330 CG ASP A 85 -5.205 15.632 0.919 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -5.955 15.352 -0.039 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -5.346 16.652 1.625 1.00 0.00 O ATOM 0 H ASP A 85 -4.082 13.425 -0.890 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.871 12.632 1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.694 14.897 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.240 14.865 0.554 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.795 12.727 0.602 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.208 12.560 0.883 1.00 0.00 C ATOM 1339 C GLY A 86 -8.696 11.156 0.584 1.00 0.00 C ATOM 1340 O GLY A 86 -9.869 10.843 0.787 1.00 0.00 O ATOM 0 H GLY A 86 -6.529 12.565 -0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.397 12.792 1.931 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.780 13.274 0.291 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.794 10.308 0.099 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.140 8.931 -0.231 1.00 0.00 C ATOM 1346 C ARG A 87 -8.788 8.233 0.961 1.00 0.00 C ATOM 1347 O ARG A 87 -8.703 8.708 2.094 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.893 8.161 -0.671 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.428 8.507 -2.075 1.00 0.00 C ATOM 1350 CD ARG A 87 -7.069 7.600 -3.114 1.00 0.00 C ATOM 1351 NE ARG A 87 -7.025 8.183 -4.452 1.00 0.00 N ATOM 1352 CZ ARG A 87 -7.804 9.185 -4.843 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -8.683 9.713 -4.002 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -7.705 9.662 -6.077 1.00 0.00 N ATOM 0 H ARG A 87 -6.819 10.551 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.856 8.949 -1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.084 8.364 0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.099 7.092 -0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.675 9.546 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.343 8.418 -2.132 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.556 6.638 -3.121 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.105 7.407 -2.837 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.359 7.800 -5.123 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.762 9.350 -3.052 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.280 10.483 -4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.030 9.259 -6.727 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.304 10.432 -6.376 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.435 7.103 0.698 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.098 6.340 1.750 1.00 0.00 C ATOM 1370 C TRP A 88 -9.641 4.885 1.736 1.00 0.00 C ATOM 1371 O TRP A 88 -9.781 4.190 0.730 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.616 6.412 1.581 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.185 7.764 1.890 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.092 8.888 1.119 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -12.932 8.134 3.054 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.736 9.934 1.734 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.261 9.497 2.922 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.357 7.446 4.193 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -13.993 10.183 3.887 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -14.083 8.128 5.151 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.396 9.484 4.993 1.00 0.00 C ATOM 0 H TRP A 88 -9.515 6.695 -0.233 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.825 6.778 2.710 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.873 6.143 0.557 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.082 5.672 2.232 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.587 8.946 0.166 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.811 10.882 1.366 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.122 6.400 4.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.234 11.229 3.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.415 7.606 6.037 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.967 9.988 5.759 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.096 4.431 2.860 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.618 3.058 2.976 1.00 0.00 C ATOM 1394 C PHE A 89 -9.311 2.336 4.128 1.00 0.00 C ATOM 1395 O PHE A 89 -9.514 2.905 5.200 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.102 3.039 3.187 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.318 3.131 1.909 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.583 4.133 0.989 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.316 2.216 1.629 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.863 4.219 -0.187 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.593 2.298 0.454 1.00 0.00 C ATOM 1402 CZ PHE A 89 -4.866 3.302 -0.455 1.00 0.00 C ATOM 0 H PHE A 89 -8.974 4.993 3.702 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.856 2.538 2.048 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.823 3.869 3.836 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.827 2.122 3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.360 4.854 1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.098 1.430 2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.080 5.004 -0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.815 1.578 0.247 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.301 3.369 -1.373 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.674 1.078 3.897 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.342 0.299 4.923 1.00 0.00 C ATOM 1414 C GLY A 90 -11.689 0.880 5.308 1.00 0.00 C ATOM 1415 O GLY A 90 -12.347 0.386 6.223 1.00 0.00 O ATOM 0 H GLY A 90 -9.517 0.585 3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.479 -0.722 4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.706 0.247 5.807 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.098 1.934 4.609 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.372 2.567 4.899 1.00 0.00 C ATOM 1421 C GLY A 91 -13.210 3.962 5.468 1.00 0.00 C ATOM 1422 O GLY A 91 -14.159 4.747 5.487 1.00 0.00 O ATOM 0 H GLY A 91 -11.571 2.361 3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.965 2.617 3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.927 1.951 5.607 1.00 0.00 H new ATOM 1426 N ARG A 92 -12.005 4.273 5.934 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.722 5.583 6.509 1.00 0.00 C ATOM 1428 C ARG A 92 -10.839 6.407 5.577 1.00 0.00 C ATOM 1429 O ARG A 92 -10.218 5.870 4.661 1.00 0.00 O ATOM 1430 CB ARG A 92 -11.042 5.430 7.871 1.00 0.00 C ATOM 1431 CG ARG A 92 -9.758 4.618 7.823 1.00 0.00 C ATOM 1432 CD ARG A 92 -9.364 4.118 9.203 1.00 0.00 C ATOM 1433 NE ARG A 92 -10.220 3.024 9.655 1.00 0.00 N ATOM 1434 CZ ARG A 92 -10.224 2.559 10.899 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -9.423 3.091 11.812 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -11.032 1.561 11.233 1.00 0.00 N ATOM 0 H ARG A 92 -11.209 3.636 5.925 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.669 6.106 6.640 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.821 6.420 8.271 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.737 4.955 8.563 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.887 3.770 7.151 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.954 5.230 7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.327 3.783 9.184 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.420 4.940 9.916 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.849 2.593 8.978 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.802 3.859 11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.428 2.732 12.767 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.651 1.150 10.534 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.034 1.205 12.189 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.789 7.713 5.819 1.00 0.00 N ATOM 1451 CA GLN A 93 -9.982 8.610 5.000 1.00 0.00 C ATOM 1452 C GLN A 93 -8.514 8.548 5.408 1.00 0.00 C ATOM 1453 O GLN A 93 -8.186 8.127 6.518 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.497 10.046 5.121 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.281 10.877 3.867 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.376 12.367 4.131 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.472 12.801 5.280 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.351 13.160 3.066 1.00 0.00 N ATOM 0 H GLN A 93 -11.297 8.173 6.574 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.065 8.287 3.962 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.562 10.023 5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.999 10.532 5.960 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.301 10.648 3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.021 10.597 3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.270 12.758 2.132 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.412 14.172 3.182 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.636 8.968 4.504 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.203 8.960 4.771 1.00 0.00 C ATOM 1469 C ILE A 94 -5.543 10.240 4.269 1.00 0.00 C ATOM 1470 O ILE A 94 -6.053 10.902 3.364 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.514 7.750 4.114 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.367 7.975 2.607 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.303 6.478 4.390 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.812 6.777 1.869 1.00 0.00 C ATOM 0 H ILE A 94 -7.891 9.318 3.581 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.085 8.892 5.852 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.519 7.639 4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.341 8.230 2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.714 8.831 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.804 5.631 3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.362 6.313 5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.309 6.578 3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.735 7.008 0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.824 6.534 2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.477 5.924 2.008 1.00 0.00 H new ATOM 1486 N THR A 95 -4.404 10.584 4.862 1.00 0.00 N ATOM 1487 CA THR A 95 -3.673 11.784 4.475 1.00 0.00 C ATOM 1488 C THR A 95 -2.368 11.430 3.771 1.00 0.00 C ATOM 1489 O THR A 95 -1.818 10.347 3.970 1.00 0.00 O ATOM 1490 CB THR A 95 -3.360 12.670 5.696 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.820 13.924 5.266 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.375 11.980 6.627 1.00 0.00 C ATOM 0 H THR A 95 -3.968 10.048 5.612 1.00 0.00 H new ATOM 0 HA THR A 95 -4.315 12.337 3.789 1.00 0.00 H new ATOM 0 HB THR A 95 -4.289 12.843 6.239 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.625 14.482 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.169 12.625 7.482 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.802 11.040 6.976 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.447 11.780 6.091 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.876 12.351 2.948 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.633 12.136 2.217 1.00 0.00 C ATOM 1502 C ALA A 96 0.278 13.355 2.315 1.00 0.00 C ATOM 1503 O ALA A 96 -0.192 14.482 2.461 1.00 0.00 O ATOM 1504 CB ALA A 96 -0.928 11.811 0.760 1.00 0.00 C ATOM 0 H ALA A 96 -2.319 13.253 2.771 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.115 11.290 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.009 11.653 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.535 10.907 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.470 12.640 0.305 1.00 0.00 H new ATOM 1510 N GLN A 97 1.584 13.119 2.234 1.00 0.00 N ATOM 1511 CA GLN A 97 2.561 14.198 2.315 1.00 0.00 C ATOM 1512 C GLN A 97 3.927 13.734 1.821 1.00 0.00 C ATOM 1513 O GLN A 97 4.165 12.538 1.656 1.00 0.00 O ATOM 1514 CB GLN A 97 2.672 14.707 3.753 1.00 0.00 C ATOM 1515 CG GLN A 97 2.808 13.597 4.783 1.00 0.00 C ATOM 1516 CD GLN A 97 1.470 13.144 5.333 1.00 0.00 C ATOM 1517 OE1 GLN A 97 1.028 13.611 6.383 1.00 0.00 O ATOM 1518 NE2 GLN A 97 0.818 12.229 4.626 1.00 0.00 N ATOM 0 H GLN A 97 1.989 12.191 2.112 1.00 0.00 H new ATOM 0 HA GLN A 97 2.220 15.011 1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.534 15.370 3.829 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.790 15.303 3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.317 12.746 4.330 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.436 13.943 5.604 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.222 11.870 3.761 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.087 11.885 4.948 1.00 0.00 H new ATOM 1527 N ALA A 98 4.821 14.689 1.586 1.00 0.00 N ATOM 1528 CA ALA A 98 6.164 14.378 1.112 1.00 0.00 C ATOM 1529 C ALA A 98 7.113 14.123 2.278 1.00 0.00 C ATOM 1530 O ALA A 98 7.144 14.886 3.243 1.00 0.00 O ATOM 1531 CB ALA A 98 6.690 15.507 0.238 1.00 0.00 C ATOM 0 H ALA A 98 4.639 15.684 1.716 1.00 0.00 H new ATOM 0 HA ALA A 98 6.110 13.467 0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.694 15.261 -0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.032 15.639 -0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.722 16.430 0.816 1.00 0.00 H new ATOM 1537 N TRP A 99 7.883 13.045 2.183 1.00 0.00 N ATOM 1538 CA TRP A 99 8.833 12.690 3.231 1.00 0.00 C ATOM 1539 C TRP A 99 10.184 13.354 2.991 1.00 0.00 C ATOM 1540 O TRP A 99 10.480 13.796 1.881 1.00 0.00 O ATOM 1541 CB TRP A 99 9.002 11.171 3.300 1.00 0.00 C ATOM 1542 CG TRP A 99 9.852 10.720 4.450 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.733 11.100 5.756 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.953 9.806 4.395 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.693 10.477 6.516 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.453 9.677 5.705 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.562 9.082 3.367 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.535 8.855 6.011 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.636 8.267 3.672 1.00 0.00 C ATOM 1550 CH2 TRP A 99 13.112 8.158 4.985 1.00 0.00 C ATOM 0 H TRP A 99 7.868 12.402 1.391 1.00 0.00 H new ATOM 0 HA TRP A 99 8.438 13.049 4.181 1.00 0.00 H new ATOM 0 HB2 TRP A 99 8.019 10.706 3.380 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.446 10.819 2.369 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.993 11.789 6.136 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.819 10.592 7.522 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.200 9.158 2.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 12.905 8.771 7.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 13.116 7.705 2.885 1.00 0.00 H new ATOM 0 HH2 TRP A 99 13.951 7.511 5.191 1.00 0.00 H new ATOM 1561 N ASP A 100 10.999 13.422 4.037 1.00 0.00 N ATOM 1562 CA ASP A 100 12.320 14.032 3.939 1.00 0.00 C ATOM 1563 C ASP A 100 13.414 13.009 4.230 1.00 0.00 C ATOM 1564 O ASP A 100 14.190 12.647 3.347 1.00 0.00 O ATOM 1565 CB ASP A 100 12.435 15.210 4.908 1.00 0.00 C ATOM 1566 CG ASP A 100 13.813 15.841 4.891 1.00 0.00 C ATOM 1567 OD1 ASP A 100 14.490 15.762 3.844 1.00 0.00 O ATOM 1568 OD2 ASP A 100 14.215 16.416 5.924 1.00 0.00 O ATOM 0 H ASP A 100 10.768 13.062 4.963 1.00 0.00 H new ATOM 0 HA ASP A 100 12.450 14.396 2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.691 15.963 4.650 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.207 14.869 5.918 1.00 0.00 H new ATOM 1573 N GLY A 101 13.470 12.548 5.476 1.00 0.00 N ATOM 1574 CA GLY A 101 14.473 11.573 5.862 1.00 0.00 C ATOM 1575 C GLY A 101 14.830 11.659 7.332 1.00 0.00 C ATOM 1576 O GLY A 101 15.990 11.491 7.709 1.00 0.00 O ATOM 0 H GLY A 101 12.839 12.833 6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.106 10.571 5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.371 11.724 5.264 1.00 0.00 H new ATOM 1580 N THR A 102 13.830 11.922 8.168 1.00 0.00 N ATOM 1581 CA THR A 102 14.044 12.033 9.605 1.00 0.00 C ATOM 1582 C THR A 102 13.391 10.873 10.349 1.00 0.00 C ATOM 1583 O THR A 102 13.942 10.358 11.323 1.00 0.00 O ATOM 1584 CB THR A 102 13.488 13.359 10.156 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.412 13.304 11.584 1.00 0.00 O ATOM 1586 CG2 THR A 102 12.109 13.648 9.580 1.00 0.00 C ATOM 0 H THR A 102 12.863 12.062 7.874 1.00 0.00 H new ATOM 0 HA THR A 102 15.122 12.005 9.767 1.00 0.00 H new ATOM 0 HB THR A 102 14.164 14.161 9.860 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.059 14.152 11.926 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.736 14.589 9.983 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.176 13.719 8.494 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.426 12.842 9.849 1.00 0.00 H new ATOM 1594 N THR A 103 12.214 10.466 9.885 1.00 0.00 N ATOM 1595 CA THR A 103 11.486 9.367 10.507 1.00 0.00 C ATOM 1596 C THR A 103 12.301 8.080 10.476 1.00 0.00 C ATOM 1597 O THR A 103 13.149 7.891 9.603 1.00 0.00 O ATOM 1598 CB THR A 103 10.135 9.123 9.809 1.00 0.00 C ATOM 1599 OG1 THR A 103 9.230 8.472 10.708 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.316 8.273 8.561 1.00 0.00 C ATOM 0 H THR A 103 11.744 10.881 9.080 1.00 0.00 H new ATOM 0 HA THR A 103 11.305 9.654 11.543 1.00 0.00 H new ATOM 0 HB THR A 103 9.724 10.089 9.515 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.782 7.735 10.244 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.348 8.114 8.085 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.982 8.784 7.866 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.747 7.310 8.836 1.00 0.00 H new ATOM 1608 N ASP A 104 12.040 7.196 11.433 1.00 0.00 N ATOM 1609 CA ASP A 104 12.749 5.924 11.513 1.00 0.00 C ATOM 1610 C ASP A 104 11.796 4.755 11.285 1.00 0.00 C ATOM 1611 O ASP A 104 12.026 3.649 11.774 1.00 0.00 O ATOM 1612 CB ASP A 104 13.433 5.783 12.874 1.00 0.00 C ATOM 1613 CG ASP A 104 14.762 6.510 12.933 1.00 0.00 C ATOM 1614 OD1 ASP A 104 14.755 7.747 13.101 1.00 0.00 O ATOM 1615 OD2 ASP A 104 15.809 5.841 12.812 1.00 0.00 O ATOM 0 H ASP A 104 11.343 7.337 12.164 1.00 0.00 H new ATOM 0 HA ASP A 104 13.507 5.908 10.730 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.774 6.173 13.650 1.00 0.00 H new ATOM 0 HB3 ASP A 104 13.590 4.726 13.090 1.00 0.00 H new ATOM 1620 N TYR A 105 10.726 5.009 10.540 1.00 0.00 N ATOM 1621 CA TYR A 105 9.735 3.978 10.250 1.00 0.00 C ATOM 1622 C TYR A 105 10.404 2.715 9.716 1.00 0.00 C ATOM 1623 O TYR A 105 10.343 1.657 10.341 1.00 0.00 O ATOM 1624 CB TYR A 105 8.713 4.495 9.237 1.00 0.00 C ATOM 1625 CG TYR A 105 7.974 5.731 9.698 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.580 5.873 11.023 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.668 6.754 8.810 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.904 7.000 11.450 1.00 0.00 C ATOM 1629 CE2 TYR A 105 6.994 7.885 9.228 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.613 8.003 10.549 1.00 0.00 C ATOM 1631 OH TYR A 105 5.940 9.127 10.969 1.00 0.00 O ATOM 0 H TYR A 105 10.522 5.919 10.126 1.00 0.00 H new ATOM 0 HA TYR A 105 9.222 3.730 11.179 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.223 4.716 8.299 1.00 0.00 H new ATOM 0 HB3 TYR A 105 7.990 3.706 9.028 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.806 5.089 11.731 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.962 6.664 7.775 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.605 7.095 12.483 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.767 8.673 8.525 1.00 0.00 H new ATOM 0 HH TYR A 105 5.816 9.736 10.211 1.00 0.00 H new