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 95 THR OG1 : rot 180:sc= -0.109 USER MOD Set 1.2: A 97 GLN : amide:sc= -10.2! C(o=-10!,f=-4.7!) USER MOD Single : A 21 LYS NZ :NH3+ 151:sc= -0.554 (180deg=-1.77!) USER MOD Single : A 22 ASN : amide:sc= 0.0745 X(o=0.075,f=-0.013) USER MOD Single : A 23 MET CE :methyl -138:sc= -3.06 (180deg=-8.25!) USER MOD Single : A 25 HIS : no HD1:sc= -3.13! C(o=-3.1!,f=-5.8!) USER MOD Single : A 27 MET CE :methyl -111:sc= -0.275 (180deg=-2.24!) USER MOD Single : A 37 ASN : amide:sc= -0.586 K(o=-0.59,f=-0.038) USER MOD Single : A 47 CYS SG : rot 92:sc= -7.42! USER MOD Single : A 48 SER OG : rot 32:sc= 0.0895 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=-0.055) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= -0.153 (180deg=-0.153) USER MOD Single : A 62 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-8.6!) USER MOD Single : A 68 SER OG : rot -89:sc= 0.223 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 -169:sc= -3.37! USER MOD Single : A 82 GLN : amide:sc= -1.03 K(o=-1,f=-1.6) USER MOD Single : A 83 THR OG1 : rot 104:sc= 0.352 USER MOD Single : A 93 GLN : amide:sc= -2.11 X(o=-2.1,f=-2.2!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -158:sc= 1.98 USER MOD Single : A 105 TYR OH : rot 180:sc= -0.602 USER MOD ----------------------------------------------------------------- ATOM 219 N VAL A 17 9.312 10.574 -2.102 1.00 0.00 N ATOM 220 CA VAL A 17 8.497 9.605 -1.379 1.00 0.00 C ATOM 221 C VAL A 17 7.399 10.298 -0.580 1.00 0.00 C ATOM 222 O VAL A 17 7.604 11.384 -0.036 1.00 0.00 O ATOM 223 CB VAL A 17 9.352 8.753 -0.423 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.529 7.614 0.159 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.583 8.220 -1.142 1.00 0.00 C ATOM 0 HA VAL A 17 8.043 8.954 -2.126 1.00 0.00 H new ATOM 0 HB VAL A 17 9.685 9.385 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.150 7.023 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.682 8.022 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.164 6.979 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.176 7.620 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.273 7.603 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.183 9.055 -1.505 1.00 0.00 H new ATOM 235 N VAL A 18 6.233 9.664 -0.513 1.00 0.00 N ATOM 236 CA VAL A 18 5.102 10.219 0.221 1.00 0.00 C ATOM 237 C VAL A 18 4.659 9.281 1.339 1.00 0.00 C ATOM 238 O VAL A 18 4.695 8.060 1.188 1.00 0.00 O ATOM 239 CB VAL A 18 3.906 10.490 -0.711 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.363 11.208 -1.971 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.195 9.190 -1.056 1.00 0.00 C ATOM 0 H VAL A 18 6.047 8.765 -0.958 1.00 0.00 H new ATOM 0 HA VAL A 18 5.437 11.162 0.653 1.00 0.00 H new ATOM 0 HB VAL A 18 3.200 11.136 -0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.504 11.391 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.823 12.159 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.089 10.590 -2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.353 9.400 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.890 8.517 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.832 8.720 -0.142 1.00 0.00 H new ATOM 251 N ILE A 19 4.242 9.861 2.459 1.00 0.00 N ATOM 252 CA ILE A 19 3.791 9.077 3.602 1.00 0.00 C ATOM 253 C ILE A 19 2.271 9.113 3.728 1.00 0.00 C ATOM 254 O ILE A 19 1.631 10.099 3.361 1.00 0.00 O ATOM 255 CB ILE A 19 4.415 9.585 4.915 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.939 9.639 4.793 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.002 8.694 6.077 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.523 8.491 3.999 1.00 0.00 C ATOM 0 H ILE A 19 4.207 10.871 2.599 1.00 0.00 H new ATOM 0 HA ILE A 19 4.115 8.051 3.428 1.00 0.00 H new ATOM 0 HB ILE A 19 4.049 10.593 5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.224 10.579 4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.376 9.639 5.792 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.451 9.066 6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.916 8.702 6.174 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.343 7.675 5.893 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.607 8.594 3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.268 7.548 4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.115 8.503 2.988 1.00 0.00 H new ATOM 270 N ILE A 20 1.701 8.033 4.250 1.00 0.00 N ATOM 271 CA ILE A 20 0.257 7.942 4.427 1.00 0.00 C ATOM 272 C ILE A 20 -0.097 7.485 5.838 1.00 0.00 C ATOM 273 O ILE A 20 0.445 6.498 6.337 1.00 0.00 O ATOM 274 CB ILE A 20 -0.375 6.971 3.412 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.257 7.160 2.031 1.00 0.00 C ATOM 276 CG2 ILE A 20 -1.880 7.180 3.345 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.335 8.311 1.248 1.00 0.00 C ATOM 0 H ILE A 20 2.217 7.209 4.558 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.144 8.942 4.260 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.184 5.950 3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.328 7.325 2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.138 6.241 1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.312 6.487 2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.316 7.000 4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.092 8.204 3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.161 8.386 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.401 8.139 1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.192 9.239 1.801 1.00 0.00 H new ATOM 289 N LYS A 21 -1.010 8.208 6.477 1.00 0.00 N ATOM 290 CA LYS A 21 -1.440 7.877 7.830 1.00 0.00 C ATOM 291 C LYS A 21 -2.891 7.407 7.841 1.00 0.00 C ATOM 292 O LYS A 21 -3.641 7.661 6.900 1.00 0.00 O ATOM 293 CB LYS A 21 -1.278 9.089 8.750 1.00 0.00 C ATOM 294 CG LYS A 21 0.147 9.609 8.827 1.00 0.00 C ATOM 295 CD LYS A 21 1.121 8.508 9.214 1.00 0.00 C ATOM 296 CE LYS A 21 2.279 9.053 10.036 1.00 0.00 C ATOM 297 NZ LYS A 21 1.810 9.947 11.131 1.00 0.00 N ATOM 0 H LYS A 21 -1.467 9.028 6.079 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.811 7.065 8.195 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.929 9.890 8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.613 8.821 9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.435 10.029 7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.202 10.418 9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.597 7.741 9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.506 8.028 8.314 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.844 8.224 10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.959 9.602 9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.481 9.906 11.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.749 10.924 10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.872 9.636 11.455 1.00 0.00 H new ATOM 311 N ASN A 22 -3.279 6.723 8.912 1.00 0.00 N ATOM 312 CA ASN A 22 -4.641 6.219 9.045 1.00 0.00 C ATOM 313 C ASN A 22 -5.099 5.542 7.756 1.00 0.00 C ATOM 314 O ASN A 22 -6.133 5.897 7.191 1.00 0.00 O ATOM 315 CB ASN A 22 -5.596 7.359 9.403 1.00 0.00 C ATOM 316 CG ASN A 22 -6.762 6.891 10.252 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.582 6.465 11.393 1.00 0.00 O ATOM 318 ND2 ASN A 22 -7.966 6.968 9.698 1.00 0.00 N ATOM 0 H ASN A 22 -2.670 6.505 9.700 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.652 5.480 9.846 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.048 8.134 9.939 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.976 7.812 8.487 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.788 6.667 10.221 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.069 7.328 8.749 1.00 0.00 H new ATOM 325 N MET A 23 -4.322 4.566 7.298 1.00 0.00 N ATOM 326 CA MET A 23 -4.648 3.839 6.077 1.00 0.00 C ATOM 327 C MET A 23 -4.819 2.350 6.361 1.00 0.00 C ATOM 328 O MET A 23 -5.587 1.663 5.686 1.00 0.00 O ATOM 329 CB MET A 23 -3.557 4.048 5.026 1.00 0.00 C ATOM 330 CG MET A 23 -2.167 3.667 5.509 1.00 0.00 C ATOM 331 SD MET A 23 -1.037 3.296 4.154 1.00 0.00 S ATOM 332 CE MET A 23 -1.918 1.970 3.333 1.00 0.00 C ATOM 0 H MET A 23 -3.462 4.260 7.754 1.00 0.00 H new ATOM 0 HA MET A 23 -5.591 4.228 5.693 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.799 3.460 4.141 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.553 5.095 4.722 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.758 4.483 6.105 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.240 2.799 6.164 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.214 1.189 3.045 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.664 1.554 4.011 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.413 2.359 2.443 1.00 0.00 H new ATOM 342 N PHE A 24 -4.099 1.856 7.363 1.00 0.00 N ATOM 343 CA PHE A 24 -4.171 0.448 7.735 1.00 0.00 C ATOM 344 C PHE A 24 -3.912 0.266 9.227 1.00 0.00 C ATOM 345 O PHE A 24 -3.608 1.224 9.938 1.00 0.00 O ATOM 346 CB PHE A 24 -3.158 -0.367 6.927 1.00 0.00 C ATOM 347 CG PHE A 24 -1.729 -0.051 7.264 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.156 -0.535 8.429 1.00 0.00 C ATOM 349 CD2 PHE A 24 -0.959 0.729 6.417 1.00 0.00 C ATOM 350 CE1 PHE A 24 0.159 -0.245 8.742 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.356 1.022 6.725 1.00 0.00 C ATOM 352 CZ PHE A 24 0.916 0.533 7.888 1.00 0.00 C ATOM 0 H PHE A 24 -3.459 2.410 7.932 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.176 0.090 7.512 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.337 -1.428 7.099 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.321 -0.184 5.865 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.743 -1.145 9.100 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.392 1.113 5.505 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.594 -0.627 9.654 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.945 1.633 6.057 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.944 0.758 8.130 1.00 0.00 H new ATOM 362 N HIS A 25 -4.036 -0.972 9.696 1.00 0.00 N ATOM 363 CA HIS A 25 -3.816 -1.281 11.105 1.00 0.00 C ATOM 364 C HIS A 25 -3.192 -2.664 11.266 1.00 0.00 C ATOM 365 O HIS A 25 -3.533 -3.612 10.558 1.00 0.00 O ATOM 366 CB HIS A 25 -5.134 -1.210 11.876 1.00 0.00 C ATOM 367 CG HIS A 25 -4.966 -0.825 13.314 1.00 0.00 C ATOM 368 ND1 HIS A 25 -4.744 -1.744 14.318 1.00 0.00 N ATOM 369 CD2 HIS A 25 -4.987 0.388 13.914 1.00 0.00 C ATOM 370 CE1 HIS A 25 -4.638 -1.113 15.474 1.00 0.00 C ATOM 371 NE2 HIS A 25 -4.781 0.182 15.256 1.00 0.00 N ATOM 0 H HIS A 25 -4.287 -1.777 9.122 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.126 -0.541 11.511 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.792 -0.489 11.390 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.629 -2.180 11.823 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.138 1.341 13.428 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.464 -1.577 16.434 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.744 0.911 15.969 1.00 0.00 H new ATOM 379 N PRO A 26 -2.256 -2.784 12.220 1.00 0.00 N ATOM 380 CA PRO A 26 -1.566 -4.047 12.496 1.00 0.00 C ATOM 381 C PRO A 26 -2.486 -5.085 13.131 1.00 0.00 C ATOM 382 O PRO A 26 -2.508 -6.244 12.718 1.00 0.00 O ATOM 383 CB PRO A 26 -0.462 -3.641 13.475 1.00 0.00 C ATOM 384 CG PRO A 26 -0.977 -2.410 14.137 1.00 0.00 C ATOM 385 CD PRO A 26 -1.801 -1.697 13.102 1.00 0.00 C ATOM 0 HA PRO A 26 -1.196 -4.516 11.585 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.268 -4.430 14.202 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.477 -3.448 12.955 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.579 -2.660 15.011 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.157 -1.781 14.484 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.640 -1.167 13.552 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.212 -0.958 12.558 1.00 0.00 H new ATOM 393 N MET A 27 -3.243 -4.660 14.136 1.00 0.00 N ATOM 394 CA MET A 27 -4.167 -5.553 14.827 1.00 0.00 C ATOM 395 C MET A 27 -5.188 -6.136 13.855 1.00 0.00 C ATOM 396 O MET A 27 -5.927 -7.060 14.197 1.00 0.00 O ATOM 397 CB MET A 27 -4.885 -4.807 15.953 1.00 0.00 C ATOM 398 CG MET A 27 -3.981 -4.460 17.125 1.00 0.00 C ATOM 399 SD MET A 27 -3.917 -5.769 18.364 1.00 0.00 S ATOM 400 CE MET A 27 -2.538 -6.740 17.760 1.00 0.00 C ATOM 0 H MET A 27 -3.236 -3.704 14.491 1.00 0.00 H new ATOM 0 HA MET A 27 -3.590 -6.373 15.255 1.00 0.00 H new ATOM 0 HB2 MET A 27 -5.316 -3.889 15.553 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.713 -5.418 16.312 1.00 0.00 H new ATOM 0 HG2 MET A 27 -2.974 -4.264 16.757 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.334 -3.540 17.592 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.902 -7.699 17.392 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.043 -6.204 16.950 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.829 -6.908 18.570 1.00 0.00 H new ATOM 410 N ASP A 28 -5.225 -5.589 12.645 1.00 0.00 N ATOM 411 CA ASP A 28 -6.156 -6.056 11.624 1.00 0.00 C ATOM 412 C ASP A 28 -5.554 -7.208 10.825 1.00 0.00 C ATOM 413 O ASP A 28 -6.252 -8.154 10.458 1.00 0.00 O ATOM 414 CB ASP A 28 -6.532 -4.909 10.684 1.00 0.00 C ATOM 415 CG ASP A 28 -7.746 -4.140 11.166 1.00 0.00 C ATOM 416 OD1 ASP A 28 -7.720 -3.647 12.313 1.00 0.00 O ATOM 417 OD2 ASP A 28 -8.723 -4.031 10.396 1.00 0.00 O ATOM 0 H ASP A 28 -4.622 -4.822 12.347 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.055 -6.416 12.124 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.687 -4.227 10.591 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.730 -5.308 9.689 1.00 0.00 H new ATOM 422 N PHE A 29 -4.255 -7.121 10.559 1.00 0.00 N ATOM 423 CA PHE A 29 -3.559 -8.155 9.802 1.00 0.00 C ATOM 424 C PHE A 29 -3.517 -9.465 10.583 1.00 0.00 C ATOM 425 O PHE A 29 -3.440 -10.546 9.998 1.00 0.00 O ATOM 426 CB PHE A 29 -2.137 -7.702 9.467 1.00 0.00 C ATOM 427 CG PHE A 29 -2.059 -6.285 8.975 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.957 -5.816 8.030 1.00 0.00 C ATOM 429 CD2 PHE A 29 -1.089 -5.422 9.459 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.887 -4.512 7.575 1.00 0.00 C ATOM 431 CE2 PHE A 29 -1.015 -4.117 9.009 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.916 -3.662 8.066 1.00 0.00 C ATOM 0 H PHE A 29 -3.663 -6.345 10.856 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.107 -8.322 8.875 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.513 -7.805 10.355 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.723 -8.365 8.708 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.720 -6.476 7.644 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.382 -5.773 10.197 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.591 -4.159 6.836 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.254 -3.454 9.394 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.861 -2.643 7.713 1.00 0.00 H new ATOM 442 N GLU A 30 -3.567 -9.360 11.907 1.00 0.00 N ATOM 443 CA GLU A 30 -3.532 -10.536 12.768 1.00 0.00 C ATOM 444 C GLU A 30 -4.769 -11.404 12.554 1.00 0.00 C ATOM 445 O GLU A 30 -4.722 -12.623 12.719 1.00 0.00 O ATOM 446 CB GLU A 30 -3.438 -10.118 14.237 1.00 0.00 C ATOM 447 CG GLU A 30 -2.177 -9.338 14.568 1.00 0.00 C ATOM 448 CD GLU A 30 -1.035 -10.234 15.007 1.00 0.00 C ATOM 449 OE1 GLU A 30 -1.266 -11.110 15.866 1.00 0.00 O ATOM 450 OE2 GLU A 30 0.089 -10.059 14.491 1.00 0.00 O ATOM 0 H GLU A 30 -3.632 -8.473 12.406 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.649 -11.120 12.506 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.307 -9.511 14.490 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.479 -11.009 14.863 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.869 -8.765 13.694 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.395 -8.620 15.359 1.00 0.00 H new ATOM 457 N ASP A 31 -5.875 -10.766 12.185 1.00 0.00 N ATOM 458 CA ASP A 31 -7.125 -11.479 11.947 1.00 0.00 C ATOM 459 C ASP A 31 -7.147 -12.085 10.547 1.00 0.00 C ATOM 460 O ASP A 31 -7.711 -13.158 10.334 1.00 0.00 O ATOM 461 CB ASP A 31 -8.316 -10.536 12.126 1.00 0.00 C ATOM 462 CG ASP A 31 -9.526 -10.972 11.323 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.920 -12.152 11.437 1.00 0.00 O ATOM 464 OD2 ASP A 31 -10.079 -10.134 10.582 1.00 0.00 O ATOM 0 H ASP A 31 -5.931 -9.757 12.044 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.198 -12.287 12.675 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.582 -10.488 13.182 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.027 -9.529 11.824 1.00 0.00 H new ATOM 469 N ASP A 32 -6.530 -11.391 9.597 1.00 0.00 N ATOM 470 CA ASP A 32 -6.478 -11.861 8.218 1.00 0.00 C ATOM 471 C ASP A 32 -5.450 -11.072 7.413 1.00 0.00 C ATOM 472 O ASP A 32 -5.326 -9.854 7.542 1.00 0.00 O ATOM 473 CB ASP A 32 -7.856 -11.741 7.564 1.00 0.00 C ATOM 474 CG ASP A 32 -8.689 -12.997 7.736 1.00 0.00 C ATOM 475 OD1 ASP A 32 -8.097 -14.080 7.924 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.932 -12.895 7.683 1.00 0.00 O ATOM 0 H ASP A 32 -6.059 -10.501 9.757 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.178 -12.909 8.228 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.388 -10.894 7.996 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.734 -11.532 6.501 1.00 0.00 H new ATOM 481 N PRO A 33 -4.693 -11.781 6.563 1.00 0.00 N ATOM 482 CA PRO A 33 -3.661 -11.168 5.721 1.00 0.00 C ATOM 483 C PRO A 33 -4.254 -10.296 4.620 1.00 0.00 C ATOM 484 O PRO A 33 -3.698 -9.254 4.271 1.00 0.00 O ATOM 485 CB PRO A 33 -2.934 -12.372 5.117 1.00 0.00 C ATOM 486 CG PRO A 33 -3.940 -13.471 5.137 1.00 0.00 C ATOM 487 CD PRO A 33 -4.786 -13.236 6.358 1.00 0.00 C ATOM 0 HA PRO A 33 -3.012 -10.503 6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.597 -12.162 4.102 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.050 -12.634 5.699 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.548 -13.460 4.233 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.453 -14.445 5.181 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.816 -13.554 6.200 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.410 -13.788 7.220 1.00 0.00 H new ATOM 495 N LEU A 34 -5.387 -10.728 4.076 1.00 0.00 N ATOM 496 CA LEU A 34 -6.056 -9.986 3.013 1.00 0.00 C ATOM 497 C LEU A 34 -5.999 -8.485 3.277 1.00 0.00 C ATOM 498 O LEU A 34 -5.674 -7.699 2.386 1.00 0.00 O ATOM 499 CB LEU A 34 -7.513 -10.438 2.888 1.00 0.00 C ATOM 500 CG LEU A 34 -7.746 -11.753 2.144 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.713 -11.529 0.640 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.710 -12.789 2.554 1.00 0.00 C ATOM 0 H LEU A 34 -5.861 -11.588 4.353 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.536 -10.192 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.931 -10.532 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.074 -9.653 2.381 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.733 -12.130 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.881 -12.476 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.494 -10.822 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.741 -11.128 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.892 -13.718 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.712 -12.420 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.783 -12.972 3.626 1.00 0.00 H new ATOM 514 N VAL A 35 -6.313 -8.093 4.508 1.00 0.00 N ATOM 515 CA VAL A 35 -6.294 -6.687 4.890 1.00 0.00 C ATOM 516 C VAL A 35 -5.046 -5.990 4.359 1.00 0.00 C ATOM 517 O VAL A 35 -5.137 -5.002 3.629 1.00 0.00 O ATOM 518 CB VAL A 35 -6.349 -6.520 6.421 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.253 -5.051 6.802 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.620 -7.143 6.978 1.00 0.00 C ATOM 0 H VAL A 35 -6.584 -8.730 5.257 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.179 -6.228 4.450 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.496 -7.039 6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.294 -4.953 7.887 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.312 -4.641 6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.085 -4.505 6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.643 -7.016 8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.489 -6.654 6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.640 -8.206 6.737 1.00 0.00 H new ATOM 530 N LEU A 36 -3.881 -6.510 4.730 1.00 0.00 N ATOM 531 CA LEU A 36 -2.613 -5.939 4.290 1.00 0.00 C ATOM 532 C LEU A 36 -2.445 -6.084 2.781 1.00 0.00 C ATOM 533 O LEU A 36 -1.862 -5.221 2.126 1.00 0.00 O ATOM 534 CB LEU A 36 -1.448 -6.617 5.013 1.00 0.00 C ATOM 535 CG LEU A 36 -0.116 -5.866 4.990 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.147 -4.695 5.960 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.032 -6.807 5.323 1.00 0.00 C ATOM 0 H LEU A 36 -3.788 -7.326 5.335 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.616 -4.877 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.735 -6.776 6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.295 -7.601 4.570 1.00 0.00 H new ATOM 0 HG LEU A 36 0.042 -5.474 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.809 -4.172 5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.945 -4.009 5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.328 -5.064 6.970 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.972 -6.256 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.881 -7.228 6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.067 -7.612 4.589 1.00 0.00 H new ATOM 549 N ASN A 37 -2.961 -7.180 2.236 1.00 0.00 N ATOM 550 CA ASN A 37 -2.869 -7.438 0.803 1.00 0.00 C ATOM 551 C ASN A 37 -3.586 -6.351 0.008 1.00 0.00 C ATOM 552 O ASN A 37 -2.966 -5.628 -0.771 1.00 0.00 O ATOM 553 CB ASN A 37 -3.466 -8.807 0.471 1.00 0.00 C ATOM 554 CG ASN A 37 -2.481 -9.937 0.699 1.00 0.00 C ATOM 555 OD1 ASN A 37 -1.428 -9.996 0.063 1.00 0.00 O ATOM 556 ND2 ASN A 37 -2.821 -10.842 1.609 1.00 0.00 N ATOM 0 H ASN A 37 -3.447 -7.904 2.764 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.815 -7.432 0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.352 -8.972 1.083 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.791 -8.816 -0.569 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.199 -11.626 1.805 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.704 -10.753 2.112 1.00 0.00 H new ATOM 563 N GLU A 38 -4.895 -6.242 0.212 1.00 0.00 N ATOM 564 CA GLU A 38 -5.696 -5.244 -0.486 1.00 0.00 C ATOM 565 C GLU A 38 -5.127 -3.844 -0.273 1.00 0.00 C ATOM 566 O GLU A 38 -5.028 -3.054 -1.212 1.00 0.00 O ATOM 567 CB GLU A 38 -7.148 -5.295 -0.005 1.00 0.00 C ATOM 568 CG GLU A 38 -7.301 -5.816 1.414 1.00 0.00 C ATOM 569 CD GLU A 38 -8.478 -5.194 2.140 1.00 0.00 C ATOM 570 OE1 GLU A 38 -8.363 -4.027 2.569 1.00 0.00 O ATOM 571 OE2 GLU A 38 -9.516 -5.875 2.278 1.00 0.00 O ATOM 0 H GLU A 38 -5.423 -6.832 0.855 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.666 -5.472 -1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.577 -4.295 -0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.723 -5.929 -0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.426 -6.899 1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.387 -5.614 1.972 1.00 0.00 H new ATOM 578 N ILE A 39 -4.756 -3.545 0.967 1.00 0.00 N ATOM 579 CA ILE A 39 -4.197 -2.242 1.303 1.00 0.00 C ATOM 580 C ILE A 39 -2.905 -1.983 0.536 1.00 0.00 C ATOM 581 O ILE A 39 -2.776 -0.977 -0.162 1.00 0.00 O ATOM 582 CB ILE A 39 -3.917 -2.122 2.813 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.224 -2.206 3.604 1.00 0.00 C ATOM 584 CG2 ILE A 39 -3.191 -0.820 3.115 1.00 0.00 C ATOM 585 CD1 ILE A 39 -5.023 -2.526 5.069 1.00 0.00 C ATOM 0 H ILE A 39 -4.832 -4.187 1.756 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.941 -1.497 1.019 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.277 -2.951 3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.754 -1.257 3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.861 -2.969 3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.000 -0.750 4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.244 -0.798 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.808 0.022 2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.991 -2.570 5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.521 -3.489 5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.412 -1.750 5.530 1.00 0.00 H new ATOM 597 N ARG A 40 -1.951 -2.899 0.669 1.00 0.00 N ATOM 598 CA ARG A 40 -0.668 -2.770 -0.013 1.00 0.00 C ATOM 599 C ARG A 40 -0.868 -2.532 -1.507 1.00 0.00 C ATOM 600 O ARG A 40 -0.451 -1.506 -2.042 1.00 0.00 O ATOM 601 CB ARG A 40 0.177 -4.026 0.206 1.00 0.00 C ATOM 602 CG ARG A 40 1.647 -3.837 -0.132 1.00 0.00 C ATOM 603 CD ARG A 40 2.312 -5.158 -0.487 1.00 0.00 C ATOM 604 NE ARG A 40 2.870 -5.822 0.688 1.00 0.00 N ATOM 605 CZ ARG A 40 3.298 -7.080 0.687 1.00 0.00 C ATOM 606 NH1 ARG A 40 3.231 -7.806 -0.421 1.00 0.00 N ATOM 607 NH2 ARG A 40 3.794 -7.614 1.796 1.00 0.00 N ATOM 0 H ARG A 40 -2.042 -3.738 1.242 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.146 -1.911 0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.089 -4.336 1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.226 -4.836 -0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.743 -3.144 -0.968 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.161 -3.386 0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.583 -5.814 -0.963 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.104 -4.981 -1.214 1.00 0.00 H new ATOM 0 HE ARG A 40 2.935 -5.291 1.557 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.850 -7.399 -1.275 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.560 -8.771 -0.419 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.847 -7.059 2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.122 -8.580 1.794 1.00 0.00 H new ATOM 621 N GLU A 41 -1.508 -3.488 -2.173 1.00 0.00 N ATOM 622 CA GLU A 41 -1.761 -3.382 -3.605 1.00 0.00 C ATOM 623 C GLU A 41 -2.488 -2.082 -3.934 1.00 0.00 C ATOM 624 O GLU A 41 -2.237 -1.462 -4.968 1.00 0.00 O ATOM 625 CB GLU A 41 -2.585 -4.577 -4.090 1.00 0.00 C ATOM 626 CG GLU A 41 -4.085 -4.339 -4.049 1.00 0.00 C ATOM 627 CD GLU A 41 -4.881 -5.629 -4.049 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.312 -6.678 -3.680 1.00 0.00 O ATOM 629 OE2 GLU A 41 -6.073 -5.590 -4.418 1.00 0.00 O ATOM 0 H GLU A 41 -1.860 -4.344 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.800 -3.381 -4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.292 -4.819 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.346 -5.445 -3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.333 -3.763 -3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.377 -3.736 -4.909 1.00 0.00 H new ATOM 636 N ASP A 42 -3.390 -1.675 -3.048 1.00 0.00 N ATOM 637 CA ASP A 42 -4.154 -0.448 -3.243 1.00 0.00 C ATOM 638 C ASP A 42 -3.225 0.754 -3.385 1.00 0.00 C ATOM 639 O ASP A 42 -3.428 1.610 -4.246 1.00 0.00 O ATOM 640 CB ASP A 42 -5.116 -0.230 -2.074 1.00 0.00 C ATOM 641 CG ASP A 42 -6.472 -0.863 -2.314 1.00 0.00 C ATOM 642 OD1 ASP A 42 -6.948 -0.826 -3.468 1.00 0.00 O ATOM 643 OD2 ASP A 42 -7.058 -1.396 -1.348 1.00 0.00 O ATOM 0 H ASP A 42 -3.610 -2.177 -2.188 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.730 -0.550 -4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.680 -0.646 -1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.242 0.840 -1.906 1.00 0.00 H new ATOM 648 N LEU A 43 -2.207 0.812 -2.533 1.00 0.00 N ATOM 649 CA LEU A 43 -1.247 1.909 -2.563 1.00 0.00 C ATOM 650 C LEU A 43 -0.422 1.877 -3.845 1.00 0.00 C ATOM 651 O LEU A 43 0.033 2.914 -4.329 1.00 0.00 O ATOM 652 CB LEU A 43 -0.322 1.837 -1.346 1.00 0.00 C ATOM 653 CG LEU A 43 -0.732 2.684 -0.141 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.333 2.621 0.943 1.00 0.00 C ATOM 655 CD2 LEU A 43 -0.984 4.124 -0.561 1.00 0.00 C ATOM 0 H LEU A 43 -2.026 0.112 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.803 2.846 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.254 0.797 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.678 2.142 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.659 2.278 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.024 3.230 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.464 1.588 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.276 3.000 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.275 4.711 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.075 4.541 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.784 4.152 -1.301 1.00 0.00 H new ATOM 667 N ARG A 44 -0.234 0.681 -4.392 1.00 0.00 N ATOM 668 CA ARG A 44 0.535 0.513 -5.619 1.00 0.00 C ATOM 669 C ARG A 44 -0.327 0.802 -6.845 1.00 0.00 C ATOM 670 O ARG A 44 0.182 1.183 -7.899 1.00 0.00 O ATOM 671 CB ARG A 44 1.100 -0.906 -5.703 1.00 0.00 C ATOM 672 CG ARG A 44 2.413 -0.994 -6.462 1.00 0.00 C ATOM 673 CD ARG A 44 3.214 -2.220 -6.050 1.00 0.00 C ATOM 674 NE ARG A 44 4.046 -2.723 -7.140 1.00 0.00 N ATOM 675 CZ ARG A 44 4.952 -3.682 -6.990 1.00 0.00 C ATOM 676 NH1 ARG A 44 5.143 -4.239 -5.801 1.00 0.00 N ATOM 677 NH2 ARG A 44 5.670 -4.086 -8.030 1.00 0.00 N ATOM 0 H ARG A 44 -0.604 -0.187 -4.004 1.00 0.00 H new ATOM 0 HA ARG A 44 1.361 1.225 -5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.247 -1.290 -4.693 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.367 -1.552 -6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.214 -1.031 -7.533 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.001 -0.095 -6.279 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.846 -1.970 -5.198 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.532 -3.005 -5.723 1.00 0.00 H new ATOM 0 HE ARG A 44 3.924 -2.315 -8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.593 -3.931 -4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.840 -4.976 -5.689 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.526 -3.660 -8.945 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.366 -4.823 -7.914 1.00 0.00 H new ATOM 691 N VAL A 45 -1.636 0.618 -6.699 1.00 0.00 N ATOM 692 CA VAL A 45 -2.569 0.859 -7.793 1.00 0.00 C ATOM 693 C VAL A 45 -3.095 2.289 -7.760 1.00 0.00 C ATOM 694 O VAL A 45 -3.516 2.829 -8.783 1.00 0.00 O ATOM 695 CB VAL A 45 -3.759 -0.116 -7.740 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.292 -1.509 -7.347 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.821 0.391 -6.775 1.00 0.00 C ATOM 0 H VAL A 45 -2.074 0.303 -5.833 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.019 0.698 -8.720 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.202 -0.175 -8.734 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.147 -2.184 -7.315 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.571 -1.871 -8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.822 -1.471 -6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.655 -0.311 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.392 0.481 -5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.177 1.366 -7.106 1.00 0.00 H new ATOM 707 N GLU A 46 -3.069 2.898 -6.579 1.00 0.00 N ATOM 708 CA GLU A 46 -3.545 4.266 -6.414 1.00 0.00 C ATOM 709 C GLU A 46 -2.491 5.268 -6.876 1.00 0.00 C ATOM 710 O GLU A 46 -2.793 6.207 -7.614 1.00 0.00 O ATOM 711 CB GLU A 46 -3.908 4.530 -4.951 1.00 0.00 C ATOM 712 CG GLU A 46 -2.746 5.045 -4.118 1.00 0.00 C ATOM 713 CD GLU A 46 -3.173 5.489 -2.733 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.383 5.409 -2.431 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.299 5.916 -1.950 1.00 0.00 O ATOM 0 H GLU A 46 -2.723 2.466 -5.722 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.435 4.391 -7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.721 5.255 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.282 3.608 -4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.993 4.262 -4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.276 5.882 -4.635 1.00 0.00 H new ATOM 722 N CYS A 47 -1.254 5.061 -6.438 1.00 0.00 N ATOM 723 CA CYS A 47 -0.155 5.947 -6.805 1.00 0.00 C ATOM 724 C CYS A 47 0.212 5.777 -8.276 1.00 0.00 C ATOM 725 O CYS A 47 0.823 6.659 -8.879 1.00 0.00 O ATOM 726 CB CYS A 47 1.066 5.669 -5.927 1.00 0.00 C ATOM 727 SG CYS A 47 0.803 6.001 -4.169 1.00 0.00 S ATOM 0 H CYS A 47 -0.987 4.288 -5.829 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.481 6.975 -6.647 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.358 4.626 -6.049 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.899 6.276 -6.280 1.00 0.00 H new ATOM 0 HG CYS A 47 0.401 4.915 -3.578 1.00 0.00 H new ATOM 733 N SER A 48 -0.164 4.637 -8.846 1.00 0.00 N ATOM 734 CA SER A 48 0.130 4.349 -10.245 1.00 0.00 C ATOM 735 C SER A 48 -0.787 5.146 -11.168 1.00 0.00 C ATOM 736 O SER A 48 -0.421 5.469 -12.299 1.00 0.00 O ATOM 737 CB SER A 48 -0.024 2.852 -10.523 1.00 0.00 C ATOM 738 OG SER A 48 0.051 2.581 -11.912 1.00 0.00 O ATOM 0 H SER A 48 -0.673 3.898 -8.361 1.00 0.00 H new ATOM 0 HA SER A 48 1.161 4.644 -10.442 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.756 2.299 -9.999 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.980 2.503 -10.132 1.00 0.00 H new ATOM 0 HG SER A 48 0.655 3.224 -12.339 1.00 0.00 H new ATOM 744 N LYS A 49 -1.981 5.460 -10.678 1.00 0.00 N ATOM 745 CA LYS A 49 -2.952 6.220 -11.456 1.00 0.00 C ATOM 746 C LYS A 49 -2.289 7.411 -12.140 1.00 0.00 C ATOM 747 O LYS A 49 -2.555 7.696 -13.308 1.00 0.00 O ATOM 748 CB LYS A 49 -4.090 6.706 -10.556 1.00 0.00 C ATOM 749 CG LYS A 49 -4.817 5.583 -9.836 1.00 0.00 C ATOM 750 CD LYS A 49 -5.373 4.561 -10.814 1.00 0.00 C ATOM 751 CE LYS A 49 -6.132 3.457 -10.095 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.233 2.904 -10.932 1.00 0.00 N ATOM 0 H LYS A 49 -2.300 5.200 -9.745 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.359 5.562 -12.224 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.687 7.399 -9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.806 7.264 -11.159 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.134 5.091 -9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.630 5.998 -9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.036 5.057 -11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.557 4.127 -11.391 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.442 2.657 -9.828 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.544 3.847 -9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.726 2.154 -10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.905 3.662 -11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.838 2.509 -11.809 1.00 0.00 H new ATOM 766 N PHE A 50 -1.422 8.102 -11.407 1.00 0.00 N ATOM 767 CA PHE A 50 -0.720 9.262 -11.944 1.00 0.00 C ATOM 768 C PHE A 50 0.428 8.830 -12.852 1.00 0.00 C ATOM 769 O PHE A 50 0.779 9.529 -13.801 1.00 0.00 O ATOM 770 CB PHE A 50 -0.185 10.133 -10.805 1.00 0.00 C ATOM 771 CG PHE A 50 -1.159 10.307 -9.675 1.00 0.00 C ATOM 772 CD1 PHE A 50 -2.084 11.339 -9.693 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.149 9.440 -8.595 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.982 11.502 -8.655 1.00 0.00 C ATOM 775 CE2 PHE A 50 -2.045 9.597 -7.554 1.00 0.00 C ATOM 776 CZ PHE A 50 -2.962 10.631 -7.584 1.00 0.00 C ATOM 0 H PHE A 50 -1.189 7.879 -10.439 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.428 9.843 -12.535 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.732 9.688 -10.418 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.079 11.114 -11.201 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.103 12.024 -10.528 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.433 8.632 -8.566 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.698 12.310 -8.682 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.029 8.913 -6.719 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.662 10.757 -6.771 1.00 0.00 H new ATOM 786 N GLY A 51 1.010 7.673 -12.551 1.00 0.00 N ATOM 787 CA GLY A 51 2.112 7.168 -13.348 1.00 0.00 C ATOM 788 C GLY A 51 2.449 5.726 -13.024 1.00 0.00 C ATOM 789 O GLY A 51 1.761 4.807 -13.467 1.00 0.00 O ATOM 0 H GLY A 51 0.738 7.077 -11.769 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.859 7.250 -14.405 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.992 7.790 -13.181 1.00 0.00 H new ATOM 793 N GLN A 52 3.511 5.528 -12.250 1.00 0.00 N ATOM 794 CA GLN A 52 3.939 4.187 -11.869 1.00 0.00 C ATOM 795 C GLN A 52 4.361 4.146 -10.404 1.00 0.00 C ATOM 796 O GLN A 52 4.247 5.140 -9.687 1.00 0.00 O ATOM 797 CB GLN A 52 5.095 3.725 -12.758 1.00 0.00 C ATOM 798 CG GLN A 52 4.663 3.333 -14.162 1.00 0.00 C ATOM 799 CD GLN A 52 5.835 2.973 -15.053 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.718 2.211 -14.660 1.00 0.00 O ATOM 801 NE2 GLN A 52 5.849 3.521 -16.263 1.00 0.00 N ATOM 0 H GLN A 52 4.091 6.279 -11.875 1.00 0.00 H new ATOM 0 HA GLN A 52 3.094 3.512 -12.004 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.834 4.524 -12.824 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.587 2.874 -12.287 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.981 2.485 -14.105 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.109 4.157 -14.611 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.096 4.148 -16.548 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.613 3.315 -16.907 1.00 0.00 H new ATOM 810 N ILE A 53 4.848 2.990 -9.966 1.00 0.00 N ATOM 811 CA ILE A 53 5.288 2.820 -8.587 1.00 0.00 C ATOM 812 C ILE A 53 6.750 2.390 -8.524 1.00 0.00 C ATOM 813 O ILE A 53 7.061 1.201 -8.590 1.00 0.00 O ATOM 814 CB ILE A 53 4.427 1.780 -7.845 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.953 1.946 -8.220 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.614 1.913 -6.341 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.354 3.254 -7.753 1.00 0.00 C ATOM 0 H ILE A 53 4.948 2.157 -10.546 1.00 0.00 H new ATOM 0 HA ILE A 53 5.175 3.788 -8.099 1.00 0.00 H new ATOM 0 HB ILE A 53 4.749 0.783 -8.145 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.852 1.876 -9.303 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.383 1.121 -7.792 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.999 1.171 -5.831 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.662 1.751 -6.089 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.315 2.912 -6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.307 3.303 -8.054 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.423 3.319 -6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.899 4.085 -8.201 1.00 0.00 H new ATOM 829 N ARG A 54 7.643 3.366 -8.396 1.00 0.00 N ATOM 830 CA ARG A 54 9.072 3.089 -8.324 1.00 0.00 C ATOM 831 C ARG A 54 9.383 2.127 -7.181 1.00 0.00 C ATOM 832 O ARG A 54 10.257 1.268 -7.297 1.00 0.00 O ATOM 833 CB ARG A 54 9.857 4.389 -8.137 1.00 0.00 C ATOM 834 CG ARG A 54 10.132 5.126 -9.438 1.00 0.00 C ATOM 835 CD ARG A 54 11.392 4.609 -10.115 1.00 0.00 C ATOM 836 NE ARG A 54 11.109 3.511 -11.035 1.00 0.00 N ATOM 837 CZ ARG A 54 12.041 2.696 -11.516 1.00 0.00 C ATOM 838 NH1 ARG A 54 13.310 2.855 -11.166 1.00 0.00 N ATOM 839 NH2 ARG A 54 11.704 1.720 -12.349 1.00 0.00 N ATOM 0 H ARG A 54 7.402 4.355 -8.340 1.00 0.00 H new ATOM 0 HA ARG A 54 9.373 2.622 -9.262 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.302 5.046 -7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.805 4.164 -7.649 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.282 5.009 -10.110 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.236 6.192 -9.238 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.871 5.423 -10.659 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.099 4.273 -9.356 1.00 0.00 H new ATOM 0 HE ARG A 54 10.142 3.362 -11.324 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.572 3.605 -10.526 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.024 2.228 -11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.729 1.595 -12.620 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.420 1.094 -12.718 1.00 0.00 H new ATOM 853 N LYS A 55 8.661 2.277 -6.075 1.00 0.00 N ATOM 854 CA LYS A 55 8.858 1.423 -4.910 1.00 0.00 C ATOM 855 C LYS A 55 7.752 1.641 -3.882 1.00 0.00 C ATOM 856 O LYS A 55 7.299 2.768 -3.672 1.00 0.00 O ATOM 857 CB LYS A 55 10.222 1.698 -4.274 1.00 0.00 C ATOM 858 CG LYS A 55 10.855 0.473 -3.638 1.00 0.00 C ATOM 859 CD LYS A 55 11.860 0.858 -2.565 1.00 0.00 C ATOM 860 CE LYS A 55 11.950 -0.203 -1.479 1.00 0.00 C ATOM 861 NZ LYS A 55 13.144 -0.008 -0.610 1.00 0.00 N ATOM 0 H LYS A 55 7.934 2.983 -5.961 1.00 0.00 H new ATOM 0 HA LYS A 55 8.822 0.385 -5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.896 2.091 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.110 2.474 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.078 -0.154 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.351 -0.122 -4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.841 1.000 -3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.573 1.811 -2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.048 -0.175 -0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.993 -1.190 -1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.169 -0.751 0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.007 -0.060 -1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.091 0.924 -0.151 1.00 0.00 H new ATOM 875 N LEU A 56 7.323 0.559 -3.243 1.00 0.00 N ATOM 876 CA LEU A 56 6.271 0.633 -2.235 1.00 0.00 C ATOM 877 C LEU A 56 6.623 -0.217 -1.017 1.00 0.00 C ATOM 878 O LEU A 56 7.121 -1.335 -1.151 1.00 0.00 O ATOM 879 CB LEU A 56 4.938 0.171 -2.825 1.00 0.00 C ATOM 880 CG LEU A 56 3.680 0.752 -2.179 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.269 2.040 -2.876 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.545 -0.261 -2.215 1.00 0.00 C ATOM 0 H LEU A 56 7.687 -0.380 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 56 6.180 1.671 -1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.927 0.422 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.890 -0.916 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 56 3.903 0.981 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.372 2.439 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.075 2.769 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.065 1.836 -3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.658 0.170 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.323 -0.522 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.840 -1.158 -1.670 1.00 0.00 H new ATOM 894 N LEU A 57 6.359 0.321 0.168 1.00 0.00 N ATOM 895 CA LEU A 57 6.646 -0.389 1.411 1.00 0.00 C ATOM 896 C LEU A 57 5.575 -0.105 2.459 1.00 0.00 C ATOM 897 O LEU A 57 5.366 1.043 2.854 1.00 0.00 O ATOM 898 CB LEU A 57 8.020 0.015 1.946 1.00 0.00 C ATOM 899 CG LEU A 57 9.153 0.062 0.920 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.332 0.856 1.463 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.586 -1.346 0.539 1.00 0.00 C ATOM 0 H LEU A 57 5.947 1.245 0.295 1.00 0.00 H new ATOM 0 HA LEU A 57 6.646 -1.458 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.933 0.999 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.300 -0.683 2.735 1.00 0.00 H new ATOM 0 HG LEU A 57 8.786 0.563 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.129 0.879 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.013 1.875 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.700 0.384 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.393 -1.293 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.935 -1.872 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.741 -1.883 0.108 1.00 0.00 H new ATOM 913 N LEU A 58 4.901 -1.158 2.909 1.00 0.00 N ATOM 914 CA LEU A 58 3.853 -1.022 3.914 1.00 0.00 C ATOM 915 C LEU A 58 4.391 -1.332 5.307 1.00 0.00 C ATOM 916 O LEU A 58 4.756 -2.470 5.604 1.00 0.00 O ATOM 917 CB LEU A 58 2.683 -1.953 3.588 1.00 0.00 C ATOM 918 CG LEU A 58 1.298 -1.464 4.014 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.214 -2.358 3.432 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.193 -1.415 5.532 1.00 0.00 C ATOM 0 H LEU A 58 5.062 -2.115 2.594 1.00 0.00 H new ATOM 0 HA LEU A 58 3.503 0.010 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.671 -2.125 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.868 -2.917 4.063 1.00 0.00 H new ATOM 0 HG LEU A 58 1.155 -0.455 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.765 -1.995 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.275 -2.343 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.354 -3.378 3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.201 -1.065 5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.357 -2.412 5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.946 -0.733 5.927 1.00 0.00 H new ATOM 932 N PHE A 59 4.436 -0.313 6.159 1.00 0.00 N ATOM 933 CA PHE A 59 4.928 -0.477 7.522 1.00 0.00 C ATOM 934 C PHE A 59 3.832 -1.017 8.435 1.00 0.00 C ATOM 935 O PHE A 59 3.388 -0.336 9.360 1.00 0.00 O ATOM 936 CB PHE A 59 5.447 0.857 8.063 1.00 0.00 C ATOM 937 CG PHE A 59 6.371 1.569 7.116 1.00 0.00 C ATOM 938 CD1 PHE A 59 7.338 0.870 6.414 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.272 2.939 6.930 1.00 0.00 C ATOM 940 CE1 PHE A 59 8.189 1.522 5.541 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.120 3.596 6.059 1.00 0.00 C ATOM 942 CZ PHE A 59 8.081 2.887 5.365 1.00 0.00 C ATOM 0 H PHE A 59 4.138 0.635 5.930 1.00 0.00 H new ATOM 0 HA PHE A 59 5.746 -1.197 7.502 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.599 1.504 8.286 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.969 0.680 9.003 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.429 -0.198 6.550 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.524 3.499 7.472 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.937 0.964 4.997 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.031 4.663 5.921 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.747 3.399 4.686 1.00 0.00 H new ATOM 952 N ASP A 60 3.399 -2.244 8.168 1.00 0.00 N ATOM 953 CA ASP A 60 2.355 -2.878 8.965 1.00 0.00 C ATOM 954 C ASP A 60 2.639 -2.721 10.456 1.00 0.00 C ATOM 955 O ASP A 60 1.727 -2.774 11.281 1.00 0.00 O ATOM 956 CB ASP A 60 2.240 -4.360 8.609 1.00 0.00 C ATOM 957 CG ASP A 60 3.255 -5.213 9.344 1.00 0.00 C ATOM 958 OD1 ASP A 60 4.421 -5.263 8.899 1.00 0.00 O ATOM 959 OD2 ASP A 60 2.884 -5.832 10.364 1.00 0.00 O ATOM 0 H ASP A 60 3.755 -2.820 7.405 1.00 0.00 H new ATOM 0 HA ASP A 60 1.410 -2.384 8.739 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.236 -4.711 8.846 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.376 -4.484 7.535 1.00 0.00 H new ATOM 964 N ARG A 61 3.910 -2.528 10.794 1.00 0.00 N ATOM 965 CA ARG A 61 4.315 -2.366 12.185 1.00 0.00 C ATOM 966 C ARG A 61 3.607 -1.173 12.822 1.00 0.00 C ATOM 967 O ARG A 61 2.912 -1.315 13.828 1.00 0.00 O ATOM 968 CB ARG A 61 5.831 -2.183 12.280 1.00 0.00 C ATOM 969 CG ARG A 61 6.597 -3.492 12.373 1.00 0.00 C ATOM 970 CD ARG A 61 6.260 -4.419 11.215 1.00 0.00 C ATOM 971 NE ARG A 61 7.359 -5.329 10.905 1.00 0.00 N ATOM 972 CZ ARG A 61 8.498 -4.940 10.343 1.00 0.00 C ATOM 973 NH1 ARG A 61 8.688 -3.665 10.033 1.00 0.00 N ATOM 974 NH2 ARG A 61 9.452 -5.828 10.091 1.00 0.00 N ATOM 0 H ARG A 61 4.677 -2.480 10.123 1.00 0.00 H new ATOM 0 HA ARG A 61 4.030 -3.268 12.727 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.177 -1.630 11.407 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.061 -1.574 13.154 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.668 -3.289 12.378 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.362 -3.986 13.316 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.369 -4.997 11.461 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.021 -3.825 10.333 1.00 0.00 H new ATOM 0 HE ARG A 61 7.246 -6.317 11.132 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.958 -2.979 10.226 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.564 -3.370 9.602 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.311 -6.810 10.329 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.326 -5.529 9.659 1.00 0.00 H new ATOM 988 N HIS A 62 3.789 0.002 12.228 1.00 0.00 N ATOM 989 CA HIS A 62 3.168 1.220 12.737 1.00 0.00 C ATOM 990 C HIS A 62 1.663 1.034 12.904 1.00 0.00 C ATOM 991 O HIS A 62 0.942 0.725 11.955 1.00 0.00 O ATOM 992 CB HIS A 62 3.447 2.392 11.795 1.00 0.00 C ATOM 993 CG HIS A 62 3.516 3.716 12.491 1.00 0.00 C ATOM 994 ND1 HIS A 62 2.411 4.514 12.702 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.566 4.381 13.027 1.00 0.00 C ATOM 996 CE1 HIS A 62 2.779 5.613 13.335 1.00 0.00 C ATOM 997 NE2 HIS A 62 4.082 5.557 13.545 1.00 0.00 N ATOM 0 H HIS A 62 4.361 0.137 11.394 1.00 0.00 H new ATOM 0 HA HIS A 62 3.600 1.437 13.714 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.389 2.214 11.276 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.667 2.430 11.035 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.593 4.049 13.044 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.126 6.420 13.631 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.638 6.271 14.015 1.00 0.00 H new ATOM 1005 N PRO A 63 1.176 1.224 14.139 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.247 1.082 14.460 1.00 0.00 C ATOM 1007 C PRO A 63 -1.093 2.194 13.848 1.00 0.00 C ATOM 1008 O PRO A 63 -2.310 2.061 13.718 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.277 1.166 15.988 1.00 0.00 C ATOM 1010 CG PRO A 63 0.940 1.946 16.348 1.00 0.00 C ATOM 1011 CD PRO A 63 1.977 1.594 15.318 1.00 0.00 C ATOM 0 HA PRO A 63 -0.664 0.157 14.063 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.183 1.660 16.340 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.260 0.174 16.440 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.733 3.016 16.344 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.284 1.692 17.351 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.636 2.436 15.108 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.609 0.770 15.649 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.441 3.290 13.476 1.00 0.00 N ATOM 1020 CA ASP A 64 -1.133 4.425 12.876 1.00 0.00 C ATOM 1021 C ASP A 64 -1.146 4.312 11.355 1.00 0.00 C ATOM 1022 O ASP A 64 -1.239 5.315 10.649 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.468 5.736 13.297 1.00 0.00 C ATOM 1024 CG ASP A 64 -1.439 6.899 13.315 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -1.932 7.277 12.231 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -1.707 7.433 14.412 1.00 0.00 O ATOM 0 H ASP A 64 0.566 3.417 13.579 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.163 4.419 13.231 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.031 5.616 14.288 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.350 5.961 12.613 1.00 0.00 H new ATOM 1031 N GLY A 65 -1.051 3.083 10.857 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.053 2.862 9.423 1.00 0.00 C ATOM 1033 C GLY A 65 -0.114 3.800 8.690 1.00 0.00 C ATOM 1034 O GLY A 65 -0.508 4.893 8.285 1.00 0.00 O ATOM 0 H GLY A 65 -0.973 2.237 11.421 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.765 1.831 9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.065 2.993 9.040 1.00 0.00 H new ATOM 1038 N VAL A 66 1.134 3.374 8.522 1.00 0.00 N ATOM 1039 CA VAL A 66 2.132 4.184 7.834 1.00 0.00 C ATOM 1040 C VAL A 66 2.755 3.419 6.672 1.00 0.00 C ATOM 1041 O VAL A 66 3.139 2.258 6.814 1.00 0.00 O ATOM 1042 CB VAL A 66 3.249 4.634 8.795 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.289 5.461 8.056 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.664 5.416 9.962 1.00 0.00 C ATOM 0 H VAL A 66 1.478 2.473 8.853 1.00 0.00 H new ATOM 0 HA VAL A 66 1.616 5.064 7.451 1.00 0.00 H new ATOM 0 HB VAL A 66 3.742 3.747 9.192 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.070 5.770 8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.729 4.863 7.258 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.815 6.344 7.628 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.467 5.726 10.631 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.144 6.297 9.586 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.961 4.786 10.507 1.00 0.00 H new ATOM 1054 N ALA A 67 2.852 4.077 5.522 1.00 0.00 N ATOM 1055 CA ALA A 67 3.431 3.460 4.335 1.00 0.00 C ATOM 1056 C ALA A 67 4.299 4.452 3.568 1.00 0.00 C ATOM 1057 O ALA A 67 4.153 5.665 3.719 1.00 0.00 O ATOM 1058 CB ALA A 67 2.332 2.913 3.436 1.00 0.00 C ATOM 0 H ALA A 67 2.537 5.038 5.387 1.00 0.00 H new ATOM 0 HA ALA A 67 4.066 2.635 4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.778 2.455 2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.755 2.165 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.674 3.726 3.129 1.00 0.00 H new ATOM 1064 N SER A 68 5.203 3.928 2.746 1.00 0.00 N ATOM 1065 CA SER A 68 6.098 4.768 1.959 1.00 0.00 C ATOM 1066 C SER A 68 5.984 4.442 0.474 1.00 0.00 C ATOM 1067 O SER A 68 6.354 3.353 0.035 1.00 0.00 O ATOM 1068 CB SER A 68 7.545 4.584 2.423 1.00 0.00 C ATOM 1069 OG SER A 68 7.887 3.210 2.493 1.00 0.00 O ATOM 0 H SER A 68 5.335 2.926 2.608 1.00 0.00 H new ATOM 0 HA SER A 68 5.805 5.807 2.109 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.219 5.095 1.735 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.678 5.046 3.401 1.00 0.00 H new ATOM 0 HG SER A 68 7.668 2.863 3.383 1.00 0.00 H new ATOM 1075 N VAL A 69 5.468 5.394 -0.297 1.00 0.00 N ATOM 1076 CA VAL A 69 5.304 5.210 -1.734 1.00 0.00 C ATOM 1077 C VAL A 69 6.331 6.024 -2.513 1.00 0.00 C ATOM 1078 O VAL A 69 6.194 7.239 -2.658 1.00 0.00 O ATOM 1079 CB VAL A 69 3.890 5.612 -2.194 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.553 4.953 -3.523 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.862 5.250 -1.134 1.00 0.00 C ATOM 0 H VAL A 69 5.156 6.301 0.050 1.00 0.00 H new ATOM 0 HA VAL A 69 5.456 4.150 -1.937 1.00 0.00 H new ATOM 0 HB VAL A 69 3.866 6.693 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.550 5.249 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.273 5.268 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.594 3.869 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.869 5.541 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.884 4.175 -0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.095 5.774 -0.207 1.00 0.00 H new ATOM 1091 N SER A 70 7.360 5.347 -3.012 1.00 0.00 N ATOM 1092 CA SER A 70 8.413 6.008 -3.774 1.00 0.00 C ATOM 1093 C SER A 70 7.950 6.304 -5.197 1.00 0.00 C ATOM 1094 O SER A 70 7.236 5.508 -5.808 1.00 0.00 O ATOM 1095 CB SER A 70 9.671 5.139 -3.806 1.00 0.00 C ATOM 1096 OG SER A 70 10.771 5.852 -4.345 1.00 0.00 O ATOM 0 H SER A 70 7.487 4.341 -2.902 1.00 0.00 H new ATOM 0 HA SER A 70 8.645 6.953 -3.282 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.911 4.803 -2.797 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.485 4.246 -4.403 1.00 0.00 H new ATOM 0 HG SER A 70 11.563 5.275 -4.353 1.00 0.00 H new ATOM 1102 N PHE A 71 8.361 7.455 -5.719 1.00 0.00 N ATOM 1103 CA PHE A 71 7.988 7.858 -7.070 1.00 0.00 C ATOM 1104 C PHE A 71 9.226 8.174 -7.904 1.00 0.00 C ATOM 1105 O PHE A 71 10.327 8.315 -7.372 1.00 0.00 O ATOM 1106 CB PHE A 71 7.064 9.077 -7.025 1.00 0.00 C ATOM 1107 CG PHE A 71 5.689 8.768 -6.507 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.462 8.621 -5.148 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.622 8.624 -7.380 1.00 0.00 C ATOM 1110 CE1 PHE A 71 4.197 8.336 -4.670 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.355 8.339 -6.907 1.00 0.00 C ATOM 1112 CZ PHE A 71 3.142 8.196 -5.550 1.00 0.00 C ATOM 0 H PHE A 71 8.952 8.125 -5.227 1.00 0.00 H new ATOM 0 HA PHE A 71 7.459 7.027 -7.537 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.517 9.843 -6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.980 9.497 -8.028 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.283 8.730 -4.455 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.783 8.736 -8.442 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.034 8.223 -3.608 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.532 8.228 -7.598 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.152 7.975 -5.178 1.00 0.00 H new ATOM 1122 N ARG A 72 9.036 8.284 -9.215 1.00 0.00 N ATOM 1123 CA ARG A 72 10.137 8.581 -10.124 1.00 0.00 C ATOM 1124 C ARG A 72 10.160 10.064 -10.482 1.00 0.00 C ATOM 1125 O ARG A 72 11.227 10.656 -10.648 1.00 0.00 O ATOM 1126 CB ARG A 72 10.017 7.740 -11.396 1.00 0.00 C ATOM 1127 CG ARG A 72 10.891 8.235 -12.538 1.00 0.00 C ATOM 1128 CD ARG A 72 12.364 7.967 -12.268 1.00 0.00 C ATOM 1129 NE ARG A 72 12.752 6.612 -12.648 1.00 0.00 N ATOM 1130 CZ ARG A 72 14.009 6.183 -12.657 1.00 0.00 C ATOM 1131 NH1 ARG A 72 14.994 6.999 -12.308 1.00 0.00 N ATOM 1132 NH2 ARG A 72 14.283 4.935 -13.015 1.00 0.00 N ATOM 0 H ARG A 72 8.131 8.172 -9.671 1.00 0.00 H new ATOM 0 HA ARG A 72 11.070 8.332 -9.619 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.284 6.709 -11.166 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.977 7.735 -11.721 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.594 7.743 -13.464 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.735 9.304 -12.680 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.970 8.686 -12.819 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.572 8.120 -11.209 1.00 0.00 H new ATOM 0 HE ARG A 72 12.018 5.959 -12.922 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.787 7.959 -12.032 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.958 6.667 -12.316 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.528 4.304 -13.284 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.249 4.607 -13.022 1.00 0.00 H new ATOM 1146 N ASP A 73 8.978 10.658 -10.600 1.00 0.00 N ATOM 1147 CA ASP A 73 8.862 12.072 -10.938 1.00 0.00 C ATOM 1148 C ASP A 73 8.444 12.889 -9.720 1.00 0.00 C ATOM 1149 O ASP A 73 7.640 12.454 -8.895 1.00 0.00 O ATOM 1150 CB ASP A 73 7.851 12.267 -12.069 1.00 0.00 C ATOM 1151 CG ASP A 73 7.839 11.103 -13.041 1.00 0.00 C ATOM 1152 OD1 ASP A 73 8.932 10.611 -13.392 1.00 0.00 O ATOM 1153 OD2 ASP A 73 6.736 10.685 -13.451 1.00 0.00 O ATOM 0 H ASP A 73 8.086 10.182 -10.467 1.00 0.00 H new ATOM 0 HA ASP A 73 9.839 12.422 -11.270 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.855 12.393 -11.645 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.086 13.185 -12.608 1.00 0.00 H new ATOM 1158 N PRO A 74 9.003 14.103 -9.601 1.00 0.00 N ATOM 1159 CA PRO A 74 8.704 15.006 -8.486 1.00 0.00 C ATOM 1160 C PRO A 74 7.284 15.559 -8.552 1.00 0.00 C ATOM 1161 O PRO A 74 6.677 15.859 -7.525 1.00 0.00 O ATOM 1162 CB PRO A 74 9.725 16.133 -8.659 1.00 0.00 C ATOM 1163 CG PRO A 74 10.058 16.123 -10.111 1.00 0.00 C ATOM 1164 CD PRO A 74 9.970 14.686 -10.546 1.00 0.00 C ATOM 0 HA PRO A 74 8.767 14.499 -7.523 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.310 17.094 -8.355 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.611 15.961 -8.048 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.363 16.745 -10.675 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.057 16.523 -10.285 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.627 14.598 -11.577 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.938 14.189 -10.489 1.00 0.00 H new ATOM 1172 N GLU A 75 6.761 15.690 -9.768 1.00 0.00 N ATOM 1173 CA GLU A 75 5.412 16.207 -9.966 1.00 0.00 C ATOM 1174 C GLU A 75 4.368 15.190 -9.514 1.00 0.00 C ATOM 1175 O GLU A 75 3.553 15.471 -8.636 1.00 0.00 O ATOM 1176 CB GLU A 75 5.190 16.563 -11.438 1.00 0.00 C ATOM 1177 CG GLU A 75 5.531 18.005 -11.773 1.00 0.00 C ATOM 1178 CD GLU A 75 4.338 18.931 -11.647 1.00 0.00 C ATOM 1179 OE1 GLU A 75 3.460 18.893 -12.535 1.00 0.00 O ATOM 1180 OE2 GLU A 75 4.281 19.694 -10.660 1.00 0.00 O ATOM 0 H GLU A 75 7.250 15.446 -10.629 1.00 0.00 H new ATOM 0 HA GLU A 75 5.302 17.107 -9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.795 15.902 -12.058 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.147 16.376 -11.695 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.325 18.350 -11.111 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.920 18.056 -12.790 1.00 0.00 H new ATOM 1187 N GLU A 76 4.399 14.008 -10.122 1.00 0.00 N ATOM 1188 CA GLU A 76 3.454 12.950 -9.783 1.00 0.00 C ATOM 1189 C GLU A 76 3.292 12.830 -8.271 1.00 0.00 C ATOM 1190 O GLU A 76 2.182 12.921 -7.746 1.00 0.00 O ATOM 1191 CB GLU A 76 3.920 11.614 -10.365 1.00 0.00 C ATOM 1192 CG GLU A 76 3.426 11.360 -11.779 1.00 0.00 C ATOM 1193 CD GLU A 76 3.710 12.520 -12.713 1.00 0.00 C ATOM 1194 OE1 GLU A 76 4.895 12.738 -13.045 1.00 0.00 O ATOM 1195 OE2 GLU A 76 2.749 13.210 -13.113 1.00 0.00 O ATOM 0 H GLU A 76 5.068 13.759 -10.851 1.00 0.00 H new ATOM 0 HA GLU A 76 2.487 13.209 -10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.010 11.585 -10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.576 10.806 -9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.900 10.460 -12.169 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.353 11.171 -11.756 1.00 0.00 H new ATOM 1202 N ALA A 77 4.406 12.625 -7.576 1.00 0.00 N ATOM 1203 CA ALA A 77 4.388 12.494 -6.125 1.00 0.00 C ATOM 1204 C ALA A 77 3.779 13.729 -5.469 1.00 0.00 C ATOM 1205 O ALA A 77 2.792 13.633 -4.740 1.00 0.00 O ATOM 1206 CB ALA A 77 5.796 12.255 -5.599 1.00 0.00 C ATOM 0 H ALA A 77 5.333 12.546 -7.995 1.00 0.00 H new ATOM 0 HA ALA A 77 3.766 11.636 -5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.768 12.159 -4.514 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.196 11.339 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.434 13.095 -5.872 1.00 0.00 H new ATOM 1212 N ASP A 78 4.375 14.887 -5.732 1.00 0.00 N ATOM 1213 CA ASP A 78 3.891 16.141 -5.168 1.00 0.00 C ATOM 1214 C ASP A 78 2.395 16.309 -5.420 1.00 0.00 C ATOM 1215 O ASP A 78 1.706 17.013 -4.681 1.00 0.00 O ATOM 1216 CB ASP A 78 4.657 17.323 -5.765 1.00 0.00 C ATOM 1217 CG ASP A 78 4.317 18.635 -5.086 1.00 0.00 C ATOM 1218 OD1 ASP A 78 4.855 18.892 -3.989 1.00 0.00 O ATOM 1219 OD2 ASP A 78 3.512 19.405 -5.651 1.00 0.00 O ATOM 0 H ASP A 78 5.194 14.983 -6.332 1.00 0.00 H new ATOM 0 HA ASP A 78 4.059 16.115 -4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.728 17.139 -5.679 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.431 17.399 -6.829 1.00 0.00 H new ATOM 1224 N TYR A 79 1.901 15.659 -6.467 1.00 0.00 N ATOM 1225 CA TYR A 79 0.488 15.739 -6.819 1.00 0.00 C ATOM 1226 C TYR A 79 -0.319 14.675 -6.080 1.00 0.00 C ATOM 1227 O TYR A 79 -1.458 14.913 -5.676 1.00 0.00 O ATOM 1228 CB TYR A 79 0.306 15.575 -8.329 1.00 0.00 C ATOM 1229 CG TYR A 79 -1.138 15.626 -8.774 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -2.053 16.455 -8.137 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.587 14.844 -9.831 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.373 16.504 -8.540 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.905 14.888 -10.242 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.795 15.719 -9.593 1.00 0.00 C ATOM 1235 OH TYR A 79 -5.109 15.764 -9.998 1.00 0.00 O ATOM 0 H TYR A 79 2.458 15.071 -7.087 1.00 0.00 H new ATOM 0 HA TYR A 79 0.121 16.721 -6.520 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.863 16.360 -8.841 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.739 14.623 -8.637 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.726 17.072 -7.313 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.894 14.191 -10.340 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.071 17.154 -8.033 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.237 14.275 -11.067 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.240 15.152 -10.752 1.00 0.00 H new ATOM 1245 N CYS A 80 0.281 13.503 -5.906 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.380 12.401 -5.216 1.00 0.00 C ATOM 1247 C CYS A 80 -0.608 12.738 -3.746 1.00 0.00 C ATOM 1248 O CYS A 80 -1.539 12.232 -3.120 1.00 0.00 O ATOM 1249 CB CYS A 80 0.453 11.124 -5.335 1.00 0.00 C ATOM 1250 SG CYS A 80 1.651 10.896 -4.000 1.00 0.00 S ATOM 0 H CYS A 80 1.224 13.291 -6.233 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.349 12.239 -5.688 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.219 10.266 -5.356 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.984 11.137 -6.287 1.00 0.00 H new ATOM 0 HG CYS A 80 2.464 9.929 -4.307 1.00 0.00 H new ATOM 1256 N ILE A 81 0.249 13.595 -3.202 1.00 0.00 N ATOM 1257 CA ILE A 81 0.142 14.000 -1.806 1.00 0.00 C ATOM 1258 C ILE A 81 -1.111 14.837 -1.571 1.00 0.00 C ATOM 1259 O ILE A 81 -1.684 14.821 -0.482 1.00 0.00 O ATOM 1260 CB ILE A 81 1.375 14.804 -1.356 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.206 16.282 -1.714 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.637 14.241 -1.993 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.465 17.077 -0.662 1.00 0.00 C ATOM 0 H ILE A 81 1.025 14.022 -3.707 1.00 0.00 H new ATOM 0 HA ILE A 81 0.081 13.085 -1.216 1.00 0.00 H new ATOM 0 HB ILE A 81 1.469 14.720 -0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.190 16.725 -1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.671 16.359 -2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.500 14.820 -1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.763 13.201 -1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.553 14.298 -3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.382 18.116 -0.982 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.532 16.659 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.010 17.030 0.281 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.530 15.566 -2.600 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.716 16.409 -2.506 1.00 0.00 C ATOM 1277 C GLN A 82 -3.960 15.651 -2.959 1.00 0.00 C ATOM 1278 O GLN A 82 -5.071 15.935 -2.509 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.538 17.672 -3.350 1.00 0.00 C ATOM 1280 CG GLN A 82 -2.003 17.400 -4.746 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.919 18.655 -5.593 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.800 18.927 -6.409 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.856 19.427 -5.404 1.00 0.00 N ATOM 0 H GLN A 82 -1.066 15.590 -3.508 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.847 16.694 -1.462 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.497 18.183 -3.431 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.858 18.350 -2.835 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.013 16.950 -4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.646 16.673 -5.242 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.150 19.163 -4.717 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.745 20.284 -5.946 1.00 0.00 H new ATOM 1292 N THR A 83 -3.767 14.686 -3.852 1.00 0.00 N ATOM 1293 CA THR A 83 -4.872 13.889 -4.367 1.00 0.00 C ATOM 1294 C THR A 83 -5.151 12.689 -3.468 1.00 0.00 C ATOM 1295 O THR A 83 -6.275 12.188 -3.416 1.00 0.00 O ATOM 1296 CB THR A 83 -4.587 13.389 -5.796 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.630 14.486 -6.716 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.599 12.332 -6.212 1.00 0.00 C ATOM 0 H THR A 83 -2.854 14.438 -4.234 1.00 0.00 H new ATOM 0 HA THR A 83 -5.747 14.538 -4.385 1.00 0.00 H new ATOM 0 HB THR A 83 -3.593 12.942 -5.809 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.717 14.735 -6.971 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.377 11.994 -7.224 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.544 11.486 -5.527 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.602 12.757 -6.183 1.00 0.00 H new ATOM 1306 N LEU A 84 -4.122 12.234 -2.762 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.257 11.093 -1.863 1.00 0.00 C ATOM 1308 C LEU A 84 -4.538 11.553 -0.437 1.00 0.00 C ATOM 1309 O LEU A 84 -4.805 10.739 0.448 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.987 10.240 -1.896 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.596 9.670 -3.259 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.241 8.985 -3.182 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.658 8.701 -3.757 1.00 0.00 C ATOM 0 H LEU A 84 -3.186 12.637 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.100 10.492 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.158 10.844 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.113 9.410 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.524 10.494 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.979 8.585 -4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.486 9.707 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.285 8.171 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.363 8.305 -4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.763 7.880 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.610 9.222 -3.852 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.477 12.862 -0.220 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.729 13.432 1.098 1.00 0.00 C ATOM 1327 C ASP A 85 -6.169 13.181 1.533 1.00 0.00 C ATOM 1328 O ASP A 85 -6.532 13.423 2.684 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.439 14.934 1.092 1.00 0.00 C ATOM 1330 CG ASP A 85 -5.663 15.758 0.746 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -6.378 15.388 -0.209 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -5.907 16.773 1.431 1.00 0.00 O ATOM 0 H ASP A 85 -4.255 13.549 -0.941 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.063 12.944 1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.068 15.233 2.072 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.647 15.145 0.373 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.987 12.696 0.604 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.378 12.421 0.910 1.00 0.00 C ATOM 1339 C GLY A 86 -8.788 11.011 0.535 1.00 0.00 C ATOM 1340 O GLY A 86 -9.976 10.693 0.492 1.00 0.00 O ATOM 0 H GLY A 86 -6.711 12.489 -0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.549 12.574 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.011 13.133 0.380 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.802 10.164 0.259 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.066 8.780 -0.118 1.00 0.00 C ATOM 1346 C ARG A 87 -8.722 8.019 1.031 1.00 0.00 C ATOM 1347 O ARG A 87 -8.724 8.480 2.172 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.767 8.085 -0.529 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.355 8.362 -1.965 1.00 0.00 C ATOM 1350 CD ARG A 87 -6.931 7.326 -2.919 1.00 0.00 C ATOM 1351 NE ARG A 87 -8.256 7.704 -3.403 1.00 0.00 N ATOM 1352 CZ ARG A 87 -8.807 7.203 -4.503 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -8.150 6.309 -5.229 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -10.017 7.597 -4.879 1.00 0.00 N ATOM 0 H ARG A 87 -6.813 10.412 0.289 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.751 8.785 -0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.967 8.406 0.138 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.882 7.010 -0.394 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.694 9.356 -2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.268 8.362 -2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.258 7.200 -3.767 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.991 6.362 -2.414 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.787 8.390 -2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.219 6.004 -4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.575 5.926 -6.073 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.525 8.285 -4.323 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.439 7.212 -5.724 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.277 6.854 0.720 1.00 0.00 N ATOM 1369 CA TRP A 88 -9.937 6.029 1.726 1.00 0.00 C ATOM 1370 C TRP A 88 -9.412 4.598 1.686 1.00 0.00 C ATOM 1371 O TRP A 88 -9.448 3.942 0.645 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.451 6.037 1.508 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.092 7.350 1.841 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.057 8.492 1.092 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -12.861 7.657 3.009 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.759 9.490 1.724 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.262 9.003 2.901 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.251 6.926 4.134 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -14.032 9.630 3.877 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -14.016 7.550 5.101 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.400 8.890 4.968 1.00 0.00 C ATOM 0 H TRP A 88 -9.284 6.459 -0.220 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.716 6.449 2.707 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.662 5.791 0.467 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -11.903 5.255 2.118 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.552 8.595 0.143 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.885 10.440 1.373 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -12.960 5.892 4.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.328 10.664 3.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.323 6.994 5.975 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.998 9.349 5.741 1.00 0.00 H new ATOM 1392 N PHE A 89 -8.925 4.119 2.826 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.393 2.765 2.921 1.00 0.00 C ATOM 1394 C PHE A 89 -9.050 2.001 4.066 1.00 0.00 C ATOM 1395 O PHE A 89 -9.277 2.550 5.144 1.00 0.00 O ATOM 1396 CB PHE A 89 -6.876 2.803 3.121 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.107 2.989 1.845 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.353 4.078 1.024 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.138 2.074 1.465 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.647 4.250 -0.151 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.429 2.241 0.290 1.00 0.00 C ATOM 1402 CZ PHE A 89 -4.683 3.332 -0.518 1.00 0.00 C ATOM 0 H PHE A 89 -8.888 4.649 3.697 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.616 2.248 1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.628 3.614 3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.557 1.875 3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.105 4.800 1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.934 1.220 2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.849 5.102 -0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.678 1.520 0.004 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.129 3.467 -1.435 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.353 0.729 3.825 1.00 0.00 N ATOM 1413 CA GLY A 90 -9.981 -0.091 4.845 1.00 0.00 C ATOM 1414 C GLY A 90 -11.347 0.430 5.247 1.00 0.00 C ATOM 1415 O GLY A 90 -11.957 -0.071 6.190 1.00 0.00 O ATOM 0 H GLY A 90 -9.175 0.252 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.079 -1.112 4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.337 -0.129 5.724 1.00 0.00 H new ATOM 1419 N GLY A 91 -11.828 1.441 4.530 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.126 2.015 4.833 1.00 0.00 C ATOM 1421 C GLY A 91 -13.021 3.407 5.423 1.00 0.00 C ATOM 1422 O GLY A 91 -14.000 4.152 5.451 1.00 0.00 O ATOM 0 H GLY A 91 -11.342 1.873 3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.724 2.054 3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.652 1.366 5.533 1.00 0.00 H new ATOM 1426 N ARG A 92 -11.830 3.759 5.898 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.602 5.070 6.493 1.00 0.00 C ATOM 1428 C ARG A 92 -10.777 5.954 5.561 1.00 0.00 C ATOM 1429 O ARG A 92 -10.208 5.475 4.581 1.00 0.00 O ATOM 1430 CB ARG A 92 -10.890 4.926 7.839 1.00 0.00 C ATOM 1431 CG ARG A 92 -9.613 4.104 7.768 1.00 0.00 C ATOM 1432 CD ARG A 92 -9.068 3.800 9.154 1.00 0.00 C ATOM 1433 NE ARG A 92 -9.645 2.580 9.713 1.00 0.00 N ATOM 1434 CZ ARG A 92 -9.454 2.184 10.967 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -8.705 2.908 11.787 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -10.012 1.062 11.402 1.00 0.00 N ATOM 0 H ARG A 92 -11.009 3.154 5.882 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.571 5.543 6.651 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.652 5.918 8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.571 4.463 8.553 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.809 3.171 7.240 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.863 4.645 7.191 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.984 3.698 9.103 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.279 4.638 9.818 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.226 2.000 9.108 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.274 3.771 11.456 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.560 2.602 12.749 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.588 0.502 10.774 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.865 0.759 12.365 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.720 7.244 5.875 1.00 0.00 N ATOM 1451 CA GLN A 93 -9.966 8.194 5.065 1.00 0.00 C ATOM 1452 C GLN A 93 -8.495 8.207 5.469 1.00 0.00 C ATOM 1453 O GLN A 93 -8.141 7.792 6.573 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.558 9.597 5.204 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.394 10.453 3.958 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.552 11.933 4.242 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.706 12.344 5.392 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.516 12.745 3.191 1.00 0.00 N ATOM 0 H GLN A 93 -11.186 7.655 6.684 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.035 7.880 4.023 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.619 9.513 5.440 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.083 10.101 6.046 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.410 10.273 3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.130 10.149 3.214 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.386 12.362 2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.618 13.752 3.320 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.644 8.686 4.568 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.212 8.754 4.832 1.00 0.00 C ATOM 1469 C ILE A 94 -5.629 10.082 4.362 1.00 0.00 C ATOM 1470 O ILE A 94 -6.292 10.854 3.669 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.457 7.602 4.143 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.145 7.965 2.690 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.273 6.319 4.210 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.597 6.809 1.882 1.00 0.00 C ATOM 0 H ILE A 94 -7.921 9.032 3.650 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.086 8.666 5.911 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.516 7.439 4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.053 8.333 2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.424 8.782 2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.726 5.514 3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.450 6.054 5.252 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.228 6.469 3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.399 7.139 0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.671 6.455 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.326 5.999 1.866 1.00 0.00 H new ATOM 1486 N THR A 95 -4.381 10.342 4.741 1.00 0.00 N ATOM 1487 CA THR A 95 -3.707 11.576 4.358 1.00 0.00 C ATOM 1488 C THR A 95 -2.415 11.285 3.603 1.00 0.00 C ATOM 1489 O THR A 95 -1.848 10.200 3.720 1.00 0.00 O ATOM 1490 CB THR A 95 -3.385 12.445 5.588 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.704 13.637 5.181 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.526 11.679 6.583 1.00 0.00 C ATOM 0 H THR A 95 -3.817 9.714 5.313 1.00 0.00 H new ATOM 0 HA THR A 95 -4.390 12.121 3.707 1.00 0.00 H new ATOM 0 HB THR A 95 -4.324 12.711 6.073 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.504 14.185 5.969 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.312 12.314 7.443 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.059 10.788 6.914 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.591 11.386 6.106 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.956 12.262 2.829 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.729 12.112 2.056 1.00 0.00 C ATOM 1502 C ALA A 96 0.161 13.343 2.193 1.00 0.00 C ATOM 1503 O ALA A 96 -0.331 14.461 2.345 1.00 0.00 O ATOM 1504 CB ALA A 96 -1.054 11.853 0.593 1.00 0.00 C ATOM 0 H ALA A 96 -2.415 13.166 2.720 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.183 11.256 2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.128 11.743 0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.642 10.939 0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.625 12.691 0.193 1.00 0.00 H new ATOM 1510 N GLN A 97 1.471 13.130 2.137 1.00 0.00 N ATOM 1511 CA GLN A 97 2.429 14.223 2.256 1.00 0.00 C ATOM 1512 C GLN A 97 3.813 13.788 1.788 1.00 0.00 C ATOM 1513 O GLN A 97 4.088 12.596 1.656 1.00 0.00 O ATOM 1514 CB GLN A 97 2.498 14.713 3.704 1.00 0.00 C ATOM 1515 CG GLN A 97 2.602 13.589 4.722 1.00 0.00 C ATOM 1516 CD GLN A 97 1.248 13.131 5.227 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.773 13.588 6.267 1.00 0.00 O ATOM 1518 NE2 GLN A 97 0.617 12.224 4.490 1.00 0.00 N ATOM 0 H GLN A 97 1.894 12.211 2.010 1.00 0.00 H new ATOM 0 HA GLN A 97 2.091 15.040 1.619 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.358 15.373 3.815 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.610 15.307 3.921 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.123 12.744 4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.206 13.923 5.566 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.048 11.872 3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.298 11.879 4.779 1.00 0.00 H new ATOM 1527 N ALA A 98 4.681 14.763 1.537 1.00 0.00 N ATOM 1528 CA ALA A 98 6.038 14.481 1.085 1.00 0.00 C ATOM 1529 C ALA A 98 6.957 14.177 2.263 1.00 0.00 C ATOM 1530 O ALA A 98 6.909 14.854 3.290 1.00 0.00 O ATOM 1531 CB ALA A 98 6.579 15.651 0.278 1.00 0.00 C ATOM 0 H ALA A 98 4.468 15.755 1.639 1.00 0.00 H new ATOM 0 HA ALA A 98 6.006 13.598 0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.593 15.427 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.942 15.819 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.590 16.547 0.899 1.00 0.00 H new ATOM 1537 N TRP A 99 7.792 13.156 2.108 1.00 0.00 N ATOM 1538 CA TRP A 99 8.723 12.764 3.160 1.00 0.00 C ATOM 1539 C TRP A 99 9.921 13.704 3.206 1.00 0.00 C ATOM 1540 O TRP A 99 10.351 14.228 2.178 1.00 0.00 O ATOM 1541 CB TRP A 99 9.195 11.326 2.940 1.00 0.00 C ATOM 1542 CG TRP A 99 9.974 10.773 4.096 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.732 10.984 5.423 1.00 0.00 C ATOM 1544 CD2 TRP A 99 11.122 9.920 4.026 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.660 10.314 6.183 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.523 9.653 5.349 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.849 9.355 2.975 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.619 8.847 5.646 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.936 8.555 3.271 1.00 0.00 C ATOM 1550 CH2 TRP A 99 13.312 8.306 4.597 1.00 0.00 C ATOM 0 H TRP A 99 7.844 12.585 1.265 1.00 0.00 H new ATOM 0 HA TRP A 99 8.201 12.826 4.115 1.00 0.00 H new ATOM 0 HB2 TRP A 99 8.328 10.691 2.758 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.813 11.287 2.043 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.929 11.589 5.817 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.700 10.309 7.202 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.566 9.540 1.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 12.912 8.656 6.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 13.505 8.114 2.466 1.00 0.00 H new ATOM 0 HH2 TRP A 99 14.165 7.675 4.796 1.00 0.00 H new ATOM 1561 N ASP A 100 10.458 13.914 4.403 1.00 0.00 N ATOM 1562 CA ASP A 100 11.609 14.792 4.582 1.00 0.00 C ATOM 1563 C ASP A 100 12.810 14.012 5.108 1.00 0.00 C ATOM 1564 O ASP A 100 13.656 14.558 5.815 1.00 0.00 O ATOM 1565 CB ASP A 100 11.264 15.931 5.543 1.00 0.00 C ATOM 1566 CG ASP A 100 12.238 17.088 5.443 1.00 0.00 C ATOM 1567 OD1 ASP A 100 12.351 17.675 4.347 1.00 0.00 O ATOM 1568 OD2 ASP A 100 12.887 17.406 6.461 1.00 0.00 O ATOM 0 H ASP A 100 10.115 13.488 5.264 1.00 0.00 H new ATOM 0 HA ASP A 100 11.869 15.213 3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.256 16.289 5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.259 15.551 6.565 1.00 0.00 H new ATOM 1573 N GLY A 101 12.876 12.731 4.758 1.00 0.00 N ATOM 1574 CA GLY A 101 13.977 11.896 5.205 1.00 0.00 C ATOM 1575 C GLY A 101 14.337 12.140 6.657 1.00 0.00 C ATOM 1576 O GLY A 101 15.486 12.446 6.977 1.00 0.00 O ATOM 0 H GLY A 101 12.188 12.257 4.174 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.711 10.847 5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.850 12.086 4.581 1.00 0.00 H new ATOM 1580 N THR A 102 13.353 12.006 7.540 1.00 0.00 N ATOM 1581 CA THR A 102 13.571 12.216 8.965 1.00 0.00 C ATOM 1582 C THR A 102 12.968 11.082 9.787 1.00 0.00 C ATOM 1583 O THR A 102 13.589 10.583 10.726 1.00 0.00 O ATOM 1584 CB THR A 102 12.966 13.553 9.435 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.042 13.650 10.862 1.00 0.00 O ATOM 1586 CG2 THR A 102 11.517 13.677 8.990 1.00 0.00 C ATOM 0 H THR A 102 12.396 11.753 7.293 1.00 0.00 H new ATOM 0 HA THR A 102 14.650 12.239 9.119 1.00 0.00 H new ATOM 0 HB THR A 102 13.538 14.364 8.985 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.657 14.503 11.153 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.111 14.629 9.333 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.465 13.632 7.902 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.935 12.860 9.415 1.00 0.00 H new ATOM 1594 N THR A 103 11.754 10.678 9.428 1.00 0.00 N ATOM 1595 CA THR A 103 11.067 9.602 10.132 1.00 0.00 C ATOM 1596 C THR A 103 11.913 8.335 10.159 1.00 0.00 C ATOM 1597 O THR A 103 12.711 8.090 9.255 1.00 0.00 O ATOM 1598 CB THR A 103 9.707 9.284 9.482 1.00 0.00 C ATOM 1599 OG1 THR A 103 8.852 8.633 10.429 1.00 0.00 O ATOM 1600 CG2 THR A 103 9.885 8.397 8.259 1.00 0.00 C ATOM 0 H THR A 103 11.226 11.080 8.653 1.00 0.00 H new ATOM 0 HA THR A 103 10.902 9.947 11.153 1.00 0.00 H new ATOM 0 HB THR A 103 9.252 10.223 9.167 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.156 8.134 9.952 1.00 0.00 H new ATOM 0 HG21 THR A 103 8.911 8.186 7.817 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.512 8.907 7.528 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.360 7.461 8.554 1.00 0.00 H new ATOM 1608 N ASP A 104 11.733 7.532 11.202 1.00 0.00 N ATOM 1609 CA ASP A 104 12.479 6.287 11.347 1.00 0.00 C ATOM 1610 C ASP A 104 11.552 5.081 11.230 1.00 0.00 C ATOM 1611 O ASP A 104 11.619 4.154 12.038 1.00 0.00 O ATOM 1612 CB ASP A 104 13.208 6.257 12.691 1.00 0.00 C ATOM 1613 CG ASP A 104 12.297 5.862 13.835 1.00 0.00 C ATOM 1614 OD1 ASP A 104 11.098 6.209 13.786 1.00 0.00 O ATOM 1615 OD2 ASP A 104 12.782 5.205 14.781 1.00 0.00 O ATOM 0 H ASP A 104 11.077 7.721 11.960 1.00 0.00 H new ATOM 0 HA ASP A 104 13.214 6.237 10.543 1.00 0.00 H new ATOM 0 HB2 ASP A 104 14.040 5.555 12.634 1.00 0.00 H new ATOM 0 HB3 ASP A 104 13.634 7.240 12.892 1.00 0.00 H new ATOM 1620 N TYR A 105 10.688 5.101 10.222 1.00 0.00 N ATOM 1621 CA TYR A 105 9.745 4.011 10.002 1.00 0.00 C ATOM 1622 C TYR A 105 10.478 2.714 9.675 1.00 0.00 C ATOM 1623 O TYR A 105 10.535 1.798 10.495 1.00 0.00 O ATOM 1624 CB TYR A 105 8.780 4.364 8.868 1.00 0.00 C ATOM 1625 CG TYR A 105 7.816 5.476 9.218 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.155 5.489 10.440 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.566 6.511 8.326 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.273 6.502 10.763 1.00 0.00 C ATOM 1629 CE2 TYR A 105 6.687 7.529 8.641 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.043 7.520 9.861 1.00 0.00 C ATOM 1631 OH TYR A 105 5.165 8.531 10.178 1.00 0.00 O ATOM 0 H TYR A 105 10.621 5.860 9.544 1.00 0.00 H new ATOM 0 HA TYR A 105 9.178 3.865 10.921 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.356 4.656 7.990 1.00 0.00 H new ATOM 0 HB3 TYR A 105 8.212 3.475 8.595 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.334 4.694 11.149 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.068 6.520 7.370 1.00 0.00 H new ATOM 0 HE1 TYR A 105 5.766 6.497 11.717 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.505 8.327 7.936 1.00 0.00 H new ATOM 0 HH TYR A 105 5.118 9.168 9.435 1.00 0.00 H new