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 79 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 83 THR OG1 : rot 122:sc= 0.996 USER MOD Set 2.1: A 47 CYS SG : rot 89:sc= -5.45! USER MOD Set 2.2: A 80 CYS SG : rot 53:sc= -7.04! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.85! C(o=-1.8!,f=-4.4!) USER MOD Single : A 23 MET CE :methyl -140:sc= -4.28! (180deg=-10.2!) USER MOD Single : A 25 HIS : no HD1:sc= -2.81! C(o=-2.8!,f=-6.5!) USER MOD Single : A 27 MET CE :methyl -161:sc= -2.31! (180deg=-3.53!) USER MOD Single : A 37 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.012) USER MOD Single : A 48 SER OG : rot 39:sc= 0.0465 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc=-0.00356 K(o=-0.0036,f=-0.83) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc= -0.315 (180deg=-0.426) USER MOD Single : A 62 HIS : no HD1:sc= -4.32! X(o=-4.3!,f=-4.6) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0541 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.5) USER MOD Single : A 93 GLN : amide:sc= -2.35! C(o=-2.3!,f=-2.5!) USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00205 USER MOD Single : A 97 GLN : amide:sc= -10.3! C(o=-10!,f=-4.9!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -152:sc= 2.62 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 219 N VAL A 17 9.047 10.548 -2.345 1.00 0.00 N ATOM 220 CA VAL A 17 8.306 9.598 -1.524 1.00 0.00 C ATOM 221 C VAL A 17 7.194 10.293 -0.747 1.00 0.00 C ATOM 222 O VAL A 17 7.378 11.397 -0.233 1.00 0.00 O ATOM 223 CB VAL A 17 9.232 8.869 -0.532 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.493 7.728 0.149 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.478 8.361 -1.243 1.00 0.00 C ATOM 0 HA VAL A 17 7.868 8.867 -2.204 1.00 0.00 H new ATOM 0 HB VAL A 17 9.543 9.577 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.163 7.225 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.635 8.123 0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.150 7.017 -0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.121 7.848 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.189 7.668 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.017 9.202 -1.678 1.00 0.00 H new ATOM 235 N VAL A 18 6.039 9.640 -0.665 1.00 0.00 N ATOM 236 CA VAL A 18 4.897 10.195 0.052 1.00 0.00 C ATOM 237 C VAL A 18 4.495 9.303 1.221 1.00 0.00 C ATOM 238 O VAL A 18 4.551 8.077 1.127 1.00 0.00 O ATOM 239 CB VAL A 18 3.684 10.378 -0.881 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.122 10.947 -2.221 1.00 0.00 C ATOM 241 CG2 VAL A 18 2.952 9.058 -1.066 1.00 0.00 C ATOM 0 H VAL A 18 5.869 8.727 -1.086 1.00 0.00 H new ATOM 0 HA VAL A 18 5.205 11.169 0.432 1.00 0.00 H new ATOM 0 HB VAL A 18 2.996 11.087 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.252 11.069 -2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.598 11.915 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.830 10.265 -2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.098 9.205 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.629 8.325 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.603 8.697 -0.099 1.00 0.00 H new ATOM 251 N ILE A 19 4.089 9.927 2.322 1.00 0.00 N ATOM 252 CA ILE A 19 3.676 9.189 3.509 1.00 0.00 C ATOM 253 C ILE A 19 2.161 9.224 3.679 1.00 0.00 C ATOM 254 O ILE A 19 1.515 10.224 3.366 1.00 0.00 O ATOM 255 CB ILE A 19 4.337 9.753 4.781 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.847 9.896 4.576 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.041 8.856 5.973 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.485 8.692 3.920 1.00 0.00 C ATOM 0 H ILE A 19 4.037 10.941 2.416 1.00 0.00 H new ATOM 0 HA ILE A 19 4.000 8.158 3.368 1.00 0.00 H new ATOM 0 HB ILE A 19 3.922 10.740 4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.040 10.778 3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.322 10.067 5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.515 9.267 6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.963 8.800 6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.433 7.857 5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.555 8.864 3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.323 7.811 4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.037 8.532 2.939 1.00 0.00 H new ATOM 270 N ILE A 20 1.602 8.127 4.177 1.00 0.00 N ATOM 271 CA ILE A 20 0.163 8.033 4.391 1.00 0.00 C ATOM 272 C ILE A 20 -0.152 7.553 5.804 1.00 0.00 C ATOM 273 O ILE A 20 0.554 6.710 6.357 1.00 0.00 O ATOM 274 CB ILE A 20 -0.497 7.080 3.378 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.130 7.259 1.993 1.00 0.00 C ATOM 276 CG2 ILE A 20 -1.997 7.322 3.321 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.458 8.411 1.209 1.00 0.00 C ATOM 0 H ILE A 20 2.123 7.291 4.440 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.243 9.035 4.251 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.327 6.054 3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.203 7.417 2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.002 6.339 1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.448 6.640 2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.431 7.149 4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.188 8.351 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.033 8.479 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.526 8.246 1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.306 9.340 1.758 1.00 0.00 H new ATOM 289 N LYS A 21 -1.219 8.094 6.383 1.00 0.00 N ATOM 290 CA LYS A 21 -1.632 7.720 7.730 1.00 0.00 C ATOM 291 C LYS A 21 -3.109 7.342 7.761 1.00 0.00 C ATOM 292 O LYS A 21 -3.876 7.723 6.878 1.00 0.00 O ATOM 293 CB LYS A 21 -1.368 8.870 8.704 1.00 0.00 C ATOM 294 CG LYS A 21 -0.040 8.758 9.433 1.00 0.00 C ATOM 295 CD LYS A 21 1.128 9.082 8.516 1.00 0.00 C ATOM 296 CE LYS A 21 2.443 9.111 9.279 1.00 0.00 C ATOM 297 NZ LYS A 21 2.764 10.477 9.779 1.00 0.00 N ATOM 0 H LYS A 21 -1.814 8.794 5.939 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.047 6.852 8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.394 9.812 8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.174 8.906 9.437 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.034 9.437 10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.075 7.749 9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.184 8.339 7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.961 10.048 8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.390 8.420 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.247 8.763 8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.668 10.455 10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.839 11.132 8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.009 10.799 10.418 1.00 0.00 H new ATOM 311 N ASN A 22 -3.502 6.591 8.785 1.00 0.00 N ATOM 312 CA ASN A 22 -4.888 6.162 8.932 1.00 0.00 C ATOM 313 C ASN A 22 -5.356 5.404 7.694 1.00 0.00 C ATOM 314 O ASN A 22 -6.421 5.687 7.145 1.00 0.00 O ATOM 315 CB ASN A 22 -5.794 7.371 9.176 1.00 0.00 C ATOM 316 CG ASN A 22 -6.979 7.035 10.061 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.829 6.400 11.104 1.00 0.00 O ATOM 318 ND2 ASN A 22 -8.167 7.461 9.646 1.00 0.00 N ATOM 0 H ASN A 22 -2.880 6.267 9.525 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.947 5.493 9.790 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.213 8.169 9.638 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.154 7.751 8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.001 7.265 10.199 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.245 7.985 8.774 1.00 0.00 H new ATOM 325 N MET A 23 -4.554 4.437 7.260 1.00 0.00 N ATOM 326 CA MET A 23 -4.887 3.636 6.088 1.00 0.00 C ATOM 327 C MET A 23 -4.967 2.155 6.446 1.00 0.00 C ATOM 328 O MET A 23 -5.758 1.409 5.870 1.00 0.00 O ATOM 329 CB MET A 23 -3.848 3.850 4.985 1.00 0.00 C ATOM 330 CG MET A 23 -2.413 3.708 5.466 1.00 0.00 C ATOM 331 SD MET A 23 -1.269 3.318 4.128 1.00 0.00 S ATOM 332 CE MET A 23 -2.097 1.924 3.369 1.00 0.00 C ATOM 0 H MET A 23 -3.669 4.189 7.702 1.00 0.00 H new ATOM 0 HA MET A 23 -5.863 3.957 5.725 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.027 3.132 4.184 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.983 4.844 4.558 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.101 4.635 5.947 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.363 2.924 6.222 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.359 1.174 3.084 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.802 1.489 4.078 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.635 2.259 2.482 1.00 0.00 H new ATOM 342 N PHE A 24 -4.143 1.737 7.401 1.00 0.00 N ATOM 343 CA PHE A 24 -4.120 0.345 7.835 1.00 0.00 C ATOM 344 C PHE A 24 -3.796 0.245 9.323 1.00 0.00 C ATOM 345 O PHE A 24 -3.420 1.231 9.956 1.00 0.00 O ATOM 346 CB PHE A 24 -3.093 -0.448 7.024 1.00 0.00 C ATOM 347 CG PHE A 24 -1.671 -0.064 7.319 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.014 -0.585 8.423 1.00 0.00 C ATOM 349 CD2 PHE A 24 -0.991 0.815 6.493 1.00 0.00 C ATOM 350 CE1 PHE A 24 0.294 -0.233 8.697 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.318 1.170 6.762 1.00 0.00 C ATOM 352 CZ PHE A 24 0.961 0.644 7.865 1.00 0.00 C ATOM 0 H PHE A 24 -3.483 2.342 7.889 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.110 -0.078 7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.224 -1.511 7.227 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.288 -0.300 5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.530 -1.273 9.076 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.489 1.228 5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.794 -0.644 9.562 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.837 1.858 6.110 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.984 0.918 8.077 1.00 0.00 H new ATOM 362 N HIS A 25 -3.946 -0.955 9.876 1.00 0.00 N ATOM 363 CA HIS A 25 -3.670 -1.186 11.289 1.00 0.00 C ATOM 364 C HIS A 25 -3.115 -2.589 11.512 1.00 0.00 C ATOM 365 O HIS A 25 -3.547 -3.560 10.891 1.00 0.00 O ATOM 366 CB HIS A 25 -4.941 -0.990 12.117 1.00 0.00 C ATOM 367 CG HIS A 25 -4.676 -0.547 13.524 1.00 0.00 C ATOM 368 ND1 HIS A 25 -4.531 -1.427 14.575 1.00 0.00 N ATOM 369 CD2 HIS A 25 -4.530 0.692 14.049 1.00 0.00 C ATOM 370 CE1 HIS A 25 -4.308 -0.749 15.686 1.00 0.00 C ATOM 371 NE2 HIS A 25 -4.302 0.539 15.395 1.00 0.00 N ATOM 0 H HIS A 25 -4.257 -1.782 9.367 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.920 -0.463 11.610 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.575 -0.252 11.626 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.499 -1.926 12.138 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.583 1.627 13.510 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.156 -1.176 16.666 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.152 1.297 16.061 1.00 0.00 H new ATOM 379 N PRO A 26 -2.134 -2.701 12.420 1.00 0.00 N ATOM 380 CA PRO A 26 -1.499 -3.981 12.746 1.00 0.00 C ATOM 381 C PRO A 26 -2.436 -4.918 13.500 1.00 0.00 C ATOM 382 O PRO A 26 -2.043 -6.013 13.902 1.00 0.00 O ATOM 383 CB PRO A 26 -0.319 -3.576 13.634 1.00 0.00 C ATOM 384 CG PRO A 26 -0.728 -2.276 14.236 1.00 0.00 C ATOM 385 CD PRO A 26 -1.570 -1.586 13.199 1.00 0.00 C ATOM 0 HA PRO A 26 -1.208 -4.531 11.851 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.126 -4.325 14.402 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.597 -3.472 13.052 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.292 -2.432 15.156 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.143 -1.674 14.495 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.352 -0.979 13.655 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.973 -0.921 12.575 1.00 0.00 H new ATOM 393 N MET A 27 -3.677 -4.482 13.687 1.00 0.00 N ATOM 394 CA MET A 27 -4.671 -5.283 14.391 1.00 0.00 C ATOM 395 C MET A 27 -5.538 -6.062 13.407 1.00 0.00 C ATOM 396 O MET A 27 -6.285 -6.959 13.798 1.00 0.00 O ATOM 397 CB MET A 27 -5.550 -4.390 15.268 1.00 0.00 C ATOM 398 CG MET A 27 -6.436 -5.165 16.230 1.00 0.00 C ATOM 399 SD MET A 27 -5.645 -5.454 17.824 1.00 0.00 S ATOM 400 CE MET A 27 -4.310 -6.549 17.347 1.00 0.00 C ATOM 0 H MET A 27 -4.018 -3.578 13.361 1.00 0.00 H new ATOM 0 HA MET A 27 -4.143 -5.995 15.025 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.912 -3.714 15.838 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.178 -3.771 14.627 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.365 -4.616 16.384 1.00 0.00 H new ATOM 0 HG3 MET A 27 -6.702 -6.122 15.782 1.00 0.00 H new ATOM 0 HE1 MET A 27 -3.943 -7.080 18.226 1.00 0.00 H new ATOM 0 HE2 MET A 27 -4.674 -7.269 16.614 1.00 0.00 H new ATOM 0 HE3 MET A 27 -3.499 -5.966 16.911 1.00 0.00 H new ATOM 410 N ASP A 28 -5.435 -5.712 12.130 1.00 0.00 N ATOM 411 CA ASP A 28 -6.210 -6.378 11.090 1.00 0.00 C ATOM 412 C ASP A 28 -5.426 -7.540 10.488 1.00 0.00 C ATOM 413 O ASP A 28 -5.993 -8.583 10.164 1.00 0.00 O ATOM 414 CB ASP A 28 -6.593 -5.383 9.993 1.00 0.00 C ATOM 415 CG ASP A 28 -7.671 -4.415 10.440 1.00 0.00 C ATOM 416 OD1 ASP A 28 -8.866 -4.738 10.272 1.00 0.00 O ATOM 417 OD2 ASP A 28 -7.319 -3.335 10.959 1.00 0.00 O ATOM 0 H ASP A 28 -4.822 -4.971 11.790 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.118 -6.773 11.545 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.709 -4.823 9.690 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.940 -5.929 9.116 1.00 0.00 H new ATOM 422 N PHE A 29 -4.119 -7.352 10.342 1.00 0.00 N ATOM 423 CA PHE A 29 -3.257 -8.384 9.777 1.00 0.00 C ATOM 424 C PHE A 29 -3.204 -9.607 10.688 1.00 0.00 C ATOM 425 O PHE A 29 -2.969 -10.724 10.230 1.00 0.00 O ATOM 426 CB PHE A 29 -1.845 -7.835 9.558 1.00 0.00 C ATOM 427 CG PHE A 29 -1.823 -6.419 9.060 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.700 -6.006 8.069 1.00 0.00 C ATOM 429 CD2 PHE A 29 -0.926 -5.501 9.581 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.680 -4.703 7.608 1.00 0.00 C ATOM 431 CE2 PHE A 29 -0.902 -4.196 9.124 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.782 -3.797 8.137 1.00 0.00 C ATOM 0 H PHE A 29 -3.633 -6.495 10.607 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.675 -8.686 8.817 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.293 -7.890 10.496 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.323 -8.471 8.843 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.406 -6.709 7.653 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.237 -5.808 10.354 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.367 -4.393 6.834 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.197 -3.490 9.538 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.768 -2.778 7.779 1.00 0.00 H new ATOM 442 N GLU A 30 -3.424 -9.385 11.980 1.00 0.00 N ATOM 443 CA GLU A 30 -3.400 -10.469 12.955 1.00 0.00 C ATOM 444 C GLU A 30 -4.591 -11.403 12.760 1.00 0.00 C ATOM 445 O GLU A 30 -4.550 -12.568 13.154 1.00 0.00 O ATOM 446 CB GLU A 30 -3.408 -9.905 14.378 1.00 0.00 C ATOM 447 CG GLU A 30 -2.136 -9.158 14.744 1.00 0.00 C ATOM 448 CD GLU A 30 -1.809 -9.253 16.221 1.00 0.00 C ATOM 449 OE1 GLU A 30 -2.747 -9.435 17.026 1.00 0.00 O ATOM 450 OE2 GLU A 30 -0.616 -9.145 16.574 1.00 0.00 O ATOM 0 H GLU A 30 -3.621 -8.466 12.375 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.484 -11.040 12.803 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.259 -9.233 14.488 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.555 -10.723 15.083 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.304 -9.559 14.165 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.242 -8.109 14.466 1.00 0.00 H new ATOM 457 N ASP A 31 -5.650 -10.882 12.150 1.00 0.00 N ATOM 458 CA ASP A 31 -6.853 -11.668 11.902 1.00 0.00 C ATOM 459 C ASP A 31 -6.814 -12.296 10.512 1.00 0.00 C ATOM 460 O ASP A 31 -7.335 -13.391 10.300 1.00 0.00 O ATOM 461 CB ASP A 31 -8.099 -10.793 12.045 1.00 0.00 C ATOM 462 CG ASP A 31 -9.341 -11.602 12.364 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.243 -12.543 13.179 1.00 0.00 O ATOM 464 OD2 ASP A 31 -10.410 -11.293 11.799 1.00 0.00 O ATOM 0 H ASP A 31 -5.700 -9.919 11.818 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.894 -12.467 12.642 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.935 -10.058 12.833 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.258 -10.238 11.120 1.00 0.00 H new ATOM 469 N ASP A 32 -6.194 -11.595 9.569 1.00 0.00 N ATOM 470 CA ASP A 32 -6.088 -12.083 8.199 1.00 0.00 C ATOM 471 C ASP A 32 -5.086 -11.253 7.403 1.00 0.00 C ATOM 472 O ASP A 32 -5.009 -10.032 7.537 1.00 0.00 O ATOM 473 CB ASP A 32 -7.455 -12.048 7.515 1.00 0.00 C ATOM 474 CG ASP A 32 -8.211 -13.354 7.666 1.00 0.00 C ATOM 475 OD1 ASP A 32 -7.690 -14.397 7.219 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.324 -13.332 8.232 1.00 0.00 O ATOM 0 H ASP A 32 -5.757 -10.687 9.728 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.734 -13.113 8.233 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.049 -11.237 7.937 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.323 -11.828 6.456 1.00 0.00 H new ATOM 481 N PRO A 33 -4.298 -11.930 6.554 1.00 0.00 N ATOM 482 CA PRO A 33 -3.286 -11.275 5.720 1.00 0.00 C ATOM 483 C PRO A 33 -3.906 -10.423 4.618 1.00 0.00 C ATOM 484 O PRO A 33 -3.401 -9.347 4.293 1.00 0.00 O ATOM 485 CB PRO A 33 -2.510 -12.449 5.116 1.00 0.00 C ATOM 486 CG PRO A 33 -3.474 -13.585 5.126 1.00 0.00 C ATOM 487 CD PRO A 33 -4.334 -13.387 6.344 1.00 0.00 C ATOM 0 HA PRO A 33 -2.666 -10.588 6.296 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.175 -12.223 4.104 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.621 -12.679 5.702 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.078 -13.592 4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.951 -14.540 5.169 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.351 -13.744 6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.941 -13.927 7.205 1.00 0.00 H new ATOM 495 N LEU A 34 -5.002 -10.908 4.047 1.00 0.00 N ATOM 496 CA LEU A 34 -5.692 -10.190 2.982 1.00 0.00 C ATOM 497 C LEU A 34 -5.706 -8.690 3.256 1.00 0.00 C ATOM 498 O LEU A 34 -5.403 -7.884 2.376 1.00 0.00 O ATOM 499 CB LEU A 34 -7.125 -10.707 2.836 1.00 0.00 C ATOM 500 CG LEU A 34 -7.291 -12.018 2.067 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.267 -11.764 0.568 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.203 -13.007 2.459 1.00 0.00 C ATOM 0 H LEU A 34 -5.432 -11.796 4.304 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.152 -10.365 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.546 -10.838 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.718 -9.940 2.338 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.258 -12.449 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.386 -12.708 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.082 -11.091 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.316 -11.310 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.337 -13.934 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.226 -12.583 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.266 -13.213 3.527 1.00 0.00 H new ATOM 514 N VAL A 35 -6.057 -8.321 4.484 1.00 0.00 N ATOM 515 CA VAL A 35 -6.106 -6.918 4.876 1.00 0.00 C ATOM 516 C VAL A 35 -4.882 -6.163 4.372 1.00 0.00 C ATOM 517 O VAL A 35 -5.003 -5.176 3.644 1.00 0.00 O ATOM 518 CB VAL A 35 -6.196 -6.765 6.406 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.221 -5.295 6.796 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.423 -7.488 6.942 1.00 0.00 C ATOM 0 H VAL A 35 -6.312 -8.975 5.224 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.002 -6.495 4.423 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.311 -7.219 6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.285 -5.207 7.881 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.310 -4.810 6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.086 -4.813 6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.471 -7.370 8.024 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.321 -7.065 6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.357 -8.548 6.695 1.00 0.00 H new ATOM 530 N LEU A 36 -3.702 -6.632 4.763 1.00 0.00 N ATOM 531 CA LEU A 36 -2.453 -6.002 4.350 1.00 0.00 C ATOM 532 C LEU A 36 -2.253 -6.125 2.843 1.00 0.00 C ATOM 533 O LEU A 36 -1.697 -5.231 2.206 1.00 0.00 O ATOM 534 CB LEU A 36 -1.271 -6.636 5.087 1.00 0.00 C ATOM 535 CG LEU A 36 0.032 -5.836 5.078 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.051 -4.668 6.048 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.211 -6.735 5.421 1.00 0.00 C ATOM 0 H LEU A 36 -3.584 -7.447 5.366 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.507 -4.944 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.563 -6.805 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.077 -7.614 4.647 1.00 0.00 H new ATOM 0 HG LEU A 36 0.184 -5.437 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.886 -4.111 6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.871 -4.011 5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.227 -5.044 7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.130 -6.149 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.065 -7.163 6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.283 -7.537 4.686 1.00 0.00 H new ATOM 549 N ASN A 37 -2.711 -7.238 2.279 1.00 0.00 N ATOM 550 CA ASN A 37 -2.584 -7.477 0.846 1.00 0.00 C ATOM 551 C ASN A 37 -3.334 -6.415 0.049 1.00 0.00 C ATOM 552 O ASN A 37 -2.734 -5.659 -0.715 1.00 0.00 O ATOM 553 CB ASN A 37 -3.115 -8.867 0.491 1.00 0.00 C ATOM 554 CG ASN A 37 -2.068 -9.949 0.671 1.00 0.00 C ATOM 555 OD1 ASN A 37 -1.048 -9.964 -0.019 1.00 0.00 O ATOM 556 ND2 ASN A 37 -2.315 -10.863 1.603 1.00 0.00 N ATOM 0 H ASN A 37 -3.173 -7.988 2.792 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.527 -7.422 0.586 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.979 -9.094 1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.461 -8.868 -0.543 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.646 -11.615 1.770 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.173 -10.813 2.152 1.00 0.00 H new ATOM 563 N GLU A 38 -4.650 -6.363 0.233 1.00 0.00 N ATOM 564 CA GLU A 38 -5.482 -5.394 -0.470 1.00 0.00 C ATOM 565 C GLU A 38 -4.974 -3.973 -0.239 1.00 0.00 C ATOM 566 O GLU A 38 -4.918 -3.165 -1.167 1.00 0.00 O ATOM 567 CB GLU A 38 -6.937 -5.508 -0.010 1.00 0.00 C ATOM 568 CG GLU A 38 -7.088 -6.054 1.400 1.00 0.00 C ATOM 569 CD GLU A 38 -8.296 -5.486 2.119 1.00 0.00 C ATOM 570 OE1 GLU A 38 -9.433 -5.801 1.708 1.00 0.00 O ATOM 571 OE2 GLU A 38 -8.105 -4.727 3.092 1.00 0.00 O ATOM 0 H GLU A 38 -5.162 -6.981 0.863 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.428 -5.613 -1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.404 -4.524 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.478 -6.154 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.172 -7.140 1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.189 -5.826 1.972 1.00 0.00 H new ATOM 578 N ILE A 39 -4.607 -3.677 1.003 1.00 0.00 N ATOM 579 CA ILE A 39 -4.105 -2.355 1.355 1.00 0.00 C ATOM 580 C ILE A 39 -2.850 -2.014 0.558 1.00 0.00 C ATOM 581 O ILE A 39 -2.796 -0.992 -0.126 1.00 0.00 O ATOM 582 CB ILE A 39 -3.787 -2.256 2.859 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.070 -2.379 3.683 1.00 0.00 C ATOM 584 CG2 ILE A 39 -3.078 -0.945 3.165 1.00 0.00 C ATOM 585 CD1 ILE A 39 -4.826 -2.744 5.130 1.00 0.00 C ATOM 0 H ILE A 39 -4.648 -4.334 1.782 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.893 -1.642 1.111 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.124 -3.077 3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.611 -1.434 3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.712 -3.134 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.860 -0.890 4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.147 -0.895 2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.719 -0.110 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.780 -2.814 5.653 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.313 -3.704 5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.210 -1.977 5.600 1.00 0.00 H new ATOM 597 N ARG A 40 -1.844 -2.877 0.651 1.00 0.00 N ATOM 598 CA ARG A 40 -0.589 -2.668 -0.062 1.00 0.00 C ATOM 599 C ARG A 40 -0.841 -2.442 -1.550 1.00 0.00 C ATOM 600 O ARG A 40 -0.502 -1.392 -2.094 1.00 0.00 O ATOM 601 CB ARG A 40 0.339 -3.867 0.133 1.00 0.00 C ATOM 602 CG ARG A 40 1.812 -3.533 -0.043 1.00 0.00 C ATOM 603 CD ARG A 40 2.638 -4.782 -0.308 1.00 0.00 C ATOM 604 NE ARG A 40 3.129 -5.386 0.927 1.00 0.00 N ATOM 605 CZ ARG A 40 4.107 -6.284 0.968 1.00 0.00 C ATOM 606 NH1 ARG A 40 4.697 -6.678 -0.152 1.00 0.00 N ATOM 607 NH2 ARG A 40 4.498 -6.788 2.132 1.00 0.00 N ATOM 0 H ARG A 40 -1.873 -3.728 1.213 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.111 -1.778 0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.185 -4.276 1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.065 -4.647 -0.577 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.931 -2.834 -0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.183 -3.033 0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.033 -5.508 -0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.483 -4.529 -0.948 1.00 0.00 H new ATOM 0 HE ARG A 40 2.697 -5.103 1.807 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.400 -6.291 -1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.448 -7.368 -0.118 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.047 -6.486 2.996 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.249 -7.478 2.163 1.00 0.00 H new ATOM 621 N GLU A 41 -1.435 -3.437 -2.202 1.00 0.00 N ATOM 622 CA GLU A 41 -1.730 -3.347 -3.627 1.00 0.00 C ATOM 623 C GLU A 41 -2.531 -2.086 -3.938 1.00 0.00 C ATOM 624 O GLU A 41 -2.362 -1.475 -4.994 1.00 0.00 O ATOM 625 CB GLU A 41 -2.504 -4.583 -4.090 1.00 0.00 C ATOM 626 CG GLU A 41 -4.013 -4.418 -4.021 1.00 0.00 C ATOM 627 CD GLU A 41 -4.741 -5.744 -3.918 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.262 -6.629 -3.179 1.00 0.00 O ATOM 629 OE2 GLU A 41 -5.790 -5.896 -4.578 1.00 0.00 O ATOM 0 H GLU A 41 -1.721 -4.314 -1.766 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.783 -3.298 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.219 -4.816 -5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.212 -5.435 -3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.268 -3.800 -3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.358 -3.887 -4.908 1.00 0.00 H new ATOM 636 N ASP A 42 -3.404 -1.704 -3.013 1.00 0.00 N ATOM 637 CA ASP A 42 -4.232 -0.516 -3.188 1.00 0.00 C ATOM 638 C ASP A 42 -3.367 0.734 -3.323 1.00 0.00 C ATOM 639 O ASP A 42 -3.624 1.591 -4.170 1.00 0.00 O ATOM 640 CB ASP A 42 -5.193 -0.361 -2.008 1.00 0.00 C ATOM 641 CG ASP A 42 -6.517 -1.060 -2.245 1.00 0.00 C ATOM 642 OD1 ASP A 42 -6.945 -1.140 -3.415 1.00 0.00 O ATOM 643 OD2 ASP A 42 -7.127 -1.527 -1.259 1.00 0.00 O ATOM 0 H ASP A 42 -3.557 -2.199 -2.134 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.810 -0.637 -4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.728 -0.765 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.372 0.699 -1.826 1.00 0.00 H new ATOM 648 N LEU A 43 -2.343 0.832 -2.483 1.00 0.00 N ATOM 649 CA LEU A 43 -1.440 1.977 -2.508 1.00 0.00 C ATOM 650 C LEU A 43 -0.661 2.029 -3.818 1.00 0.00 C ATOM 651 O LEU A 43 -0.316 3.106 -4.305 1.00 0.00 O ATOM 652 CB LEU A 43 -0.470 1.913 -1.327 1.00 0.00 C ATOM 653 CG LEU A 43 -0.888 2.679 -0.072 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.100 2.433 1.058 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.003 4.167 -0.368 1.00 0.00 C ATOM 0 H LEU A 43 -2.117 0.132 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.041 2.883 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.325 0.867 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.497 2.294 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.866 2.315 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.214 2.986 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.132 1.368 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.092 2.768 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.301 4.696 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.039 4.546 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.751 4.327 -1.145 1.00 0.00 H new ATOM 667 N ARG A 44 -0.390 0.858 -4.386 1.00 0.00 N ATOM 668 CA ARG A 44 0.347 0.770 -5.641 1.00 0.00 C ATOM 669 C ARG A 44 -0.549 1.126 -6.823 1.00 0.00 C ATOM 670 O ARG A 44 -0.094 1.713 -7.805 1.00 0.00 O ATOM 671 CB ARG A 44 0.916 -0.638 -5.824 1.00 0.00 C ATOM 672 CG ARG A 44 2.034 -0.975 -4.851 1.00 0.00 C ATOM 673 CD ARG A 44 2.867 -2.148 -5.343 1.00 0.00 C ATOM 674 NE ARG A 44 2.319 -3.430 -4.909 1.00 0.00 N ATOM 675 CZ ARG A 44 2.588 -4.585 -5.507 1.00 0.00 C ATOM 676 NH1 ARG A 44 3.394 -4.618 -6.559 1.00 0.00 N ATOM 677 NH2 ARG A 44 2.050 -5.710 -5.053 1.00 0.00 N ATOM 0 H ARG A 44 -0.670 -0.042 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 44 1.169 1.485 -5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.112 -1.364 -5.705 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.290 -0.740 -6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.675 -0.104 -4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.609 -1.213 -3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.917 -2.125 -6.432 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.888 -2.047 -4.975 1.00 0.00 H new ATOM 0 HE ARG A 44 1.695 -3.439 -4.102 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.809 -3.755 -6.911 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.599 -5.506 -7.017 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.429 -5.688 -4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.257 -6.596 -5.513 1.00 0.00 H new ATOM 691 N VAL A 45 -1.824 0.767 -6.722 1.00 0.00 N ATOM 692 CA VAL A 45 -2.784 1.049 -7.783 1.00 0.00 C ATOM 693 C VAL A 45 -3.315 2.474 -7.679 1.00 0.00 C ATOM 694 O VAL A 45 -3.782 3.046 -8.664 1.00 0.00 O ATOM 695 CB VAL A 45 -3.971 0.067 -7.742 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.483 -1.349 -7.476 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.982 0.497 -6.690 1.00 0.00 C ATOM 0 H VAL A 45 -2.217 0.280 -5.916 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.255 0.929 -8.728 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.464 0.080 -8.714 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.335 -2.029 -7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.800 -1.653 -8.269 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.964 -1.381 -6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.813 -0.208 -6.675 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.503 0.514 -5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.355 1.493 -6.929 1.00 0.00 H new ATOM 707 N GLU A 46 -3.238 3.042 -6.480 1.00 0.00 N ATOM 708 CA GLU A 46 -3.712 4.402 -6.248 1.00 0.00 C ATOM 709 C GLU A 46 -2.664 5.424 -6.681 1.00 0.00 C ATOM 710 O GLU A 46 -2.975 6.388 -7.381 1.00 0.00 O ATOM 711 CB GLU A 46 -4.054 4.602 -4.770 1.00 0.00 C ATOM 712 CG GLU A 46 -2.887 5.108 -3.938 1.00 0.00 C ATOM 713 CD GLU A 46 -3.302 5.510 -2.536 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.512 5.444 -2.234 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.417 5.891 -1.742 1.00 0.00 O ATOM 0 H GLU A 46 -2.852 2.583 -5.655 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.611 4.553 -6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.880 5.309 -4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.402 3.656 -4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.124 4.332 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.433 5.964 -4.438 1.00 0.00 H new ATOM 722 N CYS A 47 -1.424 5.205 -6.260 1.00 0.00 N ATOM 723 CA CYS A 47 -0.330 6.107 -6.603 1.00 0.00 C ATOM 724 C CYS A 47 0.063 5.953 -8.069 1.00 0.00 C ATOM 725 O CYS A 47 0.728 6.819 -8.638 1.00 0.00 O ATOM 726 CB CYS A 47 0.880 5.839 -5.707 1.00 0.00 C ATOM 727 SG CYS A 47 0.588 6.170 -3.954 1.00 0.00 S ATOM 0 H CYS A 47 -1.151 4.411 -5.681 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.672 7.130 -6.443 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.182 4.798 -5.824 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.714 6.453 -6.048 1.00 0.00 H new ATOM 0 HG CYS A 47 0.134 5.096 -3.379 1.00 0.00 H new ATOM 733 N SER A 48 -0.351 4.844 -8.673 1.00 0.00 N ATOM 734 CA SER A 48 -0.038 4.574 -10.071 1.00 0.00 C ATOM 735 C SER A 48 -0.967 5.353 -10.997 1.00 0.00 C ATOM 736 O SER A 48 -0.575 5.760 -12.091 1.00 0.00 O ATOM 737 CB SER A 48 -0.150 3.076 -10.360 1.00 0.00 C ATOM 738 OG SER A 48 -0.190 2.827 -11.755 1.00 0.00 O ATOM 0 H SER A 48 -0.904 4.118 -8.216 1.00 0.00 H new ATOM 0 HA SER A 48 0.986 4.898 -10.257 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.698 2.553 -9.918 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.050 2.678 -9.890 1.00 0.00 H new ATOM 0 HG SER A 48 0.433 3.429 -12.213 1.00 0.00 H new ATOM 744 N LYS A 49 -2.202 5.556 -10.551 1.00 0.00 N ATOM 745 CA LYS A 49 -3.189 6.287 -11.336 1.00 0.00 C ATOM 746 C LYS A 49 -2.552 7.484 -12.034 1.00 0.00 C ATOM 747 O LYS A 49 -2.887 7.801 -13.176 1.00 0.00 O ATOM 748 CB LYS A 49 -4.337 6.757 -10.440 1.00 0.00 C ATOM 749 CG LYS A 49 -5.028 5.629 -9.694 1.00 0.00 C ATOM 750 CD LYS A 49 -5.588 4.589 -10.650 1.00 0.00 C ATOM 751 CE LYS A 49 -6.376 3.519 -9.910 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.482 2.969 -10.743 1.00 0.00 N ATOM 0 H LYS A 49 -2.543 5.224 -9.649 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.582 5.613 -12.097 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.952 7.476 -9.718 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.072 7.281 -11.051 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.321 5.155 -9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.835 6.036 -9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.232 5.076 -11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.772 4.124 -11.203 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.705 2.711 -9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.787 3.940 -8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.995 2.243 -10.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.136 3.735 -11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.088 2.544 -11.607 1.00 0.00 H new ATOM 766 N PHE A 50 -1.630 8.145 -11.342 1.00 0.00 N ATOM 767 CA PHE A 50 -0.944 9.307 -11.896 1.00 0.00 C ATOM 768 C PHE A 50 0.223 8.879 -12.780 1.00 0.00 C ATOM 769 O PHE A 50 0.559 9.554 -13.753 1.00 0.00 O ATOM 770 CB PHE A 50 -0.441 10.213 -10.770 1.00 0.00 C ATOM 771 CG PHE A 50 -1.383 10.298 -9.603 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.392 9.313 -8.629 1.00 0.00 C ATOM 773 CD2 PHE A 50 -2.258 11.365 -9.479 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.258 9.389 -7.555 1.00 0.00 C ATOM 775 CE2 PHE A 50 -3.127 11.447 -8.407 1.00 0.00 C ATOM 776 CZ PHE A 50 -3.125 10.458 -7.443 1.00 0.00 C ATOM 0 H PHE A 50 -1.340 7.896 -10.396 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.656 9.861 -12.508 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.524 9.845 -10.422 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.276 11.215 -11.167 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.714 8.476 -8.710 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.261 12.142 -10.229 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.257 8.613 -6.804 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.806 12.283 -8.324 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.801 10.521 -6.603 1.00 0.00 H new ATOM 786 N GLY A 51 0.839 7.752 -12.434 1.00 0.00 N ATOM 787 CA GLY A 51 1.962 7.254 -13.206 1.00 0.00 C ATOM 788 C GLY A 51 2.262 5.796 -12.918 1.00 0.00 C ATOM 789 O GLY A 51 1.628 4.904 -13.480 1.00 0.00 O ATOM 0 H GLY A 51 0.580 7.176 -11.633 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.751 7.375 -14.268 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.845 7.854 -12.986 1.00 0.00 H new ATOM 793 N GLN A 52 3.231 5.555 -12.041 1.00 0.00 N ATOM 794 CA GLN A 52 3.615 4.195 -11.682 1.00 0.00 C ATOM 795 C GLN A 52 4.135 4.136 -10.250 1.00 0.00 C ATOM 796 O GLN A 52 4.166 5.147 -9.549 1.00 0.00 O ATOM 797 CB GLN A 52 4.680 3.671 -12.647 1.00 0.00 C ATOM 798 CG GLN A 52 4.140 3.337 -14.028 1.00 0.00 C ATOM 799 CD GLN A 52 5.232 2.943 -15.002 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.369 3.404 -14.898 1.00 0.00 O ATOM 801 NE2 GLN A 52 4.892 2.086 -15.958 1.00 0.00 N ATOM 0 H GLN A 52 3.764 6.283 -11.566 1.00 0.00 H new ATOM 0 HA GLN A 52 2.729 3.564 -11.753 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.468 4.418 -12.745 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.138 2.779 -12.220 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.421 2.522 -13.945 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.601 4.199 -14.421 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.938 1.729 -16.007 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.585 1.785 -16.643 1.00 0.00 H new ATOM 810 N ILE A 53 4.543 2.946 -9.822 1.00 0.00 N ATOM 811 CA ILE A 53 5.063 2.756 -8.474 1.00 0.00 C ATOM 812 C ILE A 53 6.465 2.157 -8.504 1.00 0.00 C ATOM 813 O ILE A 53 6.630 0.944 -8.629 1.00 0.00 O ATOM 814 CB ILE A 53 4.145 1.842 -7.640 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.680 2.074 -8.017 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.361 2.089 -6.154 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.202 3.484 -7.747 1.00 0.00 C ATOM 0 H ILE A 53 4.523 2.099 -10.390 1.00 0.00 H new ATOM 0 HA ILE A 53 5.101 3.741 -8.010 1.00 0.00 H new ATOM 0 HB ILE A 53 4.396 0.804 -7.856 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.546 1.850 -9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.055 1.375 -7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.706 1.436 -5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.399 1.879 -5.897 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.133 3.129 -5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.156 3.575 -8.038 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.304 3.706 -6.685 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.802 4.188 -8.323 1.00 0.00 H new ATOM 829 N ARG A 54 7.472 3.017 -8.389 1.00 0.00 N ATOM 830 CA ARG A 54 8.861 2.573 -8.402 1.00 0.00 C ATOM 831 C ARG A 54 9.130 1.594 -7.263 1.00 0.00 C ATOM 832 O ARG A 54 9.918 0.660 -7.406 1.00 0.00 O ATOM 833 CB ARG A 54 9.803 3.773 -8.292 1.00 0.00 C ATOM 834 CG ARG A 54 9.829 4.644 -9.537 1.00 0.00 C ATOM 835 CD ARG A 54 10.534 3.946 -10.690 1.00 0.00 C ATOM 836 NE ARG A 54 11.986 3.976 -10.542 1.00 0.00 N ATOM 837 CZ ARG A 54 12.807 3.145 -11.175 1.00 0.00 C ATOM 838 NH1 ARG A 54 12.320 2.223 -11.994 1.00 0.00 N ATOM 839 NH2 ARG A 54 14.117 3.235 -10.988 1.00 0.00 N ATOM 0 H ARG A 54 7.352 4.025 -8.286 1.00 0.00 H new ATOM 0 HA ARG A 54 9.044 2.062 -9.347 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.503 4.382 -7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.812 3.414 -8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.809 4.893 -9.830 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.335 5.583 -9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.197 2.911 -10.748 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.255 4.425 -11.629 1.00 0.00 H new ATOM 0 HE ARG A 54 12.393 4.673 -9.918 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.313 2.151 -12.139 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.952 1.586 -12.479 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.495 3.943 -10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.747 2.597 -11.474 1.00 0.00 H new ATOM 853 N LYS A 55 8.470 1.816 -6.131 1.00 0.00 N ATOM 854 CA LYS A 55 8.636 0.955 -4.966 1.00 0.00 C ATOM 855 C LYS A 55 7.590 1.271 -3.902 1.00 0.00 C ATOM 856 O LYS A 55 7.159 2.416 -3.762 1.00 0.00 O ATOM 857 CB LYS A 55 10.041 1.119 -4.382 1.00 0.00 C ATOM 858 CG LYS A 55 10.575 -0.139 -3.720 1.00 0.00 C ATOM 859 CD LYS A 55 10.151 -0.227 -2.263 1.00 0.00 C ATOM 860 CE LYS A 55 10.010 -1.671 -1.810 1.00 0.00 C ATOM 861 NZ LYS A 55 11.331 -2.292 -1.514 1.00 0.00 N ATOM 0 H LYS A 55 7.815 2.586 -5.996 1.00 0.00 H new ATOM 0 HA LYS A 55 8.501 -0.078 -5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.723 1.418 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.029 1.927 -3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.214 -1.015 -4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.663 -0.151 -3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.885 0.281 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.202 0.292 -2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.382 -1.713 -0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.504 -2.247 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.186 -3.219 -1.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.863 -2.415 -2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.868 -1.676 -0.870 1.00 0.00 H new ATOM 875 N LEU A 56 7.188 0.251 -3.153 1.00 0.00 N ATOM 876 CA LEU A 56 6.193 0.420 -2.099 1.00 0.00 C ATOM 877 C LEU A 56 6.610 -0.321 -0.833 1.00 0.00 C ATOM 878 O LEU A 56 7.056 -1.468 -0.891 1.00 0.00 O ATOM 879 CB LEU A 56 4.828 -0.083 -2.573 1.00 0.00 C ATOM 880 CG LEU A 56 3.610 0.628 -1.984 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.208 1.809 -2.854 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.448 -0.343 -1.831 1.00 0.00 C ATOM 0 H LEU A 56 7.535 -0.702 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 56 6.121 1.483 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.787 0.007 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.753 -1.145 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 56 3.876 1.005 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.339 2.303 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.036 2.516 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.961 1.456 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.589 0.180 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.183 -0.750 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.739 -1.156 -1.166 1.00 0.00 H new ATOM 894 N LEU A 57 6.459 0.339 0.309 1.00 0.00 N ATOM 895 CA LEU A 57 6.817 -0.258 1.591 1.00 0.00 C ATOM 896 C LEU A 57 5.737 0.006 2.636 1.00 0.00 C ATOM 897 O LEU A 57 5.578 1.132 3.109 1.00 0.00 O ATOM 898 CB LEU A 57 8.158 0.296 2.077 1.00 0.00 C ATOM 899 CG LEU A 57 9.385 -0.098 1.253 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.576 0.774 1.620 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.715 -1.569 1.457 1.00 0.00 C ATOM 0 H LEU A 57 6.091 1.288 0.374 1.00 0.00 H new ATOM 0 HA LEU A 57 6.905 -1.335 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.093 1.384 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.314 -0.034 3.104 1.00 0.00 H new ATOM 0 HG LEU A 57 9.157 0.059 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.440 0.480 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.337 1.819 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.806 0.649 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.591 -1.831 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.923 -1.752 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.868 -2.179 1.143 1.00 0.00 H new ATOM 913 N LEU A 58 4.999 -1.039 2.992 1.00 0.00 N ATOM 914 CA LEU A 58 3.934 -0.922 3.983 1.00 0.00 C ATOM 915 C LEU A 58 4.449 -1.264 5.377 1.00 0.00 C ATOM 916 O LEU A 58 4.759 -2.419 5.670 1.00 0.00 O ATOM 917 CB LEU A 58 2.767 -1.841 3.617 1.00 0.00 C ATOM 918 CG LEU A 58 1.374 -1.343 4.006 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.304 -2.288 3.481 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.263 -1.194 5.516 1.00 0.00 C ATOM 0 H LEU A 58 5.118 -1.977 2.610 1.00 0.00 H new ATOM 0 HA LEU A 58 3.586 0.111 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.784 -2.006 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.930 -2.809 4.090 1.00 0.00 H new ATOM 0 HG LEU A 58 1.219 -0.364 3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.680 -1.918 3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.369 -2.344 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.456 -3.281 3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.265 -0.839 5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.439 -2.159 5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.005 -0.477 5.866 1.00 0.00 H new ATOM 932 N PHE A 59 4.535 -0.253 6.235 1.00 0.00 N ATOM 933 CA PHE A 59 5.010 -0.446 7.600 1.00 0.00 C ATOM 934 C PHE A 59 3.904 -1.013 8.486 1.00 0.00 C ATOM 935 O PHE A 59 3.324 -0.302 9.306 1.00 0.00 O ATOM 936 CB PHE A 59 5.514 0.877 8.180 1.00 0.00 C ATOM 937 CG PHE A 59 6.456 1.610 7.268 1.00 0.00 C ATOM 938 CD1 PHE A 59 7.469 0.934 6.607 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.330 2.976 7.073 1.00 0.00 C ATOM 940 CE1 PHE A 59 8.337 1.605 5.767 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.195 3.653 6.234 1.00 0.00 C ATOM 942 CZ PHE A 59 8.200 2.967 5.581 1.00 0.00 C ATOM 0 H PHE A 59 4.282 0.709 6.009 1.00 0.00 H new ATOM 0 HA PHE A 59 5.833 -1.160 7.573 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.660 1.518 8.398 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.016 0.682 9.127 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.581 -0.131 6.750 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.547 3.518 7.582 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.121 1.066 5.257 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.085 4.718 6.089 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.878 3.494 4.926 1.00 0.00 H new ATOM 952 N ASP A 60 3.618 -2.299 8.313 1.00 0.00 N ATOM 953 CA ASP A 60 2.582 -2.964 9.096 1.00 0.00 C ATOM 954 C ASP A 60 2.855 -2.820 10.590 1.00 0.00 C ATOM 955 O ASP A 60 1.977 -3.068 11.418 1.00 0.00 O ATOM 956 CB ASP A 60 2.499 -4.444 8.720 1.00 0.00 C ATOM 957 CG ASP A 60 2.961 -4.707 7.301 1.00 0.00 C ATOM 958 OD1 ASP A 60 2.941 -3.761 6.486 1.00 0.00 O ATOM 959 OD2 ASP A 60 3.341 -5.859 7.004 1.00 0.00 O ATOM 0 H ASP A 60 4.089 -2.902 7.638 1.00 0.00 H new ATOM 0 HA ASP A 60 1.628 -2.487 8.871 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.108 -5.026 9.411 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.471 -4.788 8.834 1.00 0.00 H new ATOM 964 N ARG A 61 4.076 -2.419 10.928 1.00 0.00 N ATOM 965 CA ARG A 61 4.464 -2.244 12.322 1.00 0.00 C ATOM 966 C ARG A 61 3.758 -1.040 12.937 1.00 0.00 C ATOM 967 O ARG A 61 3.030 -1.169 13.922 1.00 0.00 O ATOM 968 CB ARG A 61 5.980 -2.072 12.434 1.00 0.00 C ATOM 969 CG ARG A 61 6.736 -3.386 12.542 1.00 0.00 C ATOM 970 CD ARG A 61 6.625 -4.200 11.262 1.00 0.00 C ATOM 971 NE ARG A 61 7.720 -3.919 10.338 1.00 0.00 N ATOM 972 CZ ARG A 61 8.067 -4.727 9.343 1.00 0.00 C ATOM 973 NH1 ARG A 61 7.409 -5.861 9.144 1.00 0.00 N ATOM 974 NH2 ARG A 61 9.075 -4.402 8.543 1.00 0.00 N ATOM 0 H ARG A 61 4.814 -2.209 10.255 1.00 0.00 H new ATOM 0 HA ARG A 61 4.165 -3.137 12.870 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.340 -1.526 11.562 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.204 -1.461 13.308 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.786 -3.186 12.758 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.344 -3.965 13.378 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.621 -5.262 11.507 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.675 -3.982 10.775 1.00 0.00 H new ATOM 0 HE ARG A 61 8.247 -3.055 10.464 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.634 -6.115 9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.678 -6.479 8.379 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.584 -3.531 8.692 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.341 -5.023 7.779 1.00 0.00 H new ATOM 988 N HIS A 62 3.978 0.132 12.350 1.00 0.00 N ATOM 989 CA HIS A 62 3.363 1.361 12.839 1.00 0.00 C ATOM 990 C HIS A 62 1.860 1.178 13.028 1.00 0.00 C ATOM 991 O HIS A 62 1.116 0.929 12.079 1.00 0.00 O ATOM 992 CB HIS A 62 3.630 2.512 11.869 1.00 0.00 C ATOM 993 CG HIS A 62 3.796 3.838 12.545 1.00 0.00 C ATOM 994 ND1 HIS A 62 2.989 4.262 13.579 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.685 4.836 12.331 1.00 0.00 C ATOM 996 CE1 HIS A 62 3.372 5.464 13.970 1.00 0.00 C ATOM 997 NE2 HIS A 62 4.400 5.835 13.229 1.00 0.00 N ATOM 0 H HIS A 62 4.578 0.257 11.535 1.00 0.00 H new ATOM 0 HA HIS A 62 3.807 1.600 13.805 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.530 2.291 11.295 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.806 2.576 11.158 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.472 4.845 11.592 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.921 6.045 14.761 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.901 6.720 13.310 1.00 0.00 H new ATOM 1005 N PRO A 63 1.401 1.302 14.282 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.017 1.154 14.624 1.00 0.00 C ATOM 1007 C PRO A 63 -0.864 2.306 14.095 1.00 0.00 C ATOM 1008 O PRO A 63 -2.072 2.360 14.331 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.014 1.151 16.155 1.00 0.00 C ATOM 1010 CG PRO A 63 1.218 1.899 16.533 1.00 0.00 C ATOM 1011 CD PRO A 63 2.230 1.597 15.462 1.00 0.00 C ATOM 0 HA PRO A 63 -0.451 0.257 14.183 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.907 1.632 16.554 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.003 0.135 16.549 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.022 2.969 16.594 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.580 1.585 17.512 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.893 2.444 15.286 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.860 0.750 15.732 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.225 3.225 13.380 1.00 0.00 N ATOM 1020 CA ASP A 64 -0.921 4.375 12.816 1.00 0.00 C ATOM 1021 C ASP A 64 -1.030 4.255 11.299 1.00 0.00 C ATOM 1022 O ASP A 64 -1.161 5.255 10.594 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.195 5.669 13.186 1.00 0.00 C ATOM 1024 CG ASP A 64 -0.630 6.213 14.533 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -0.841 5.403 15.460 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -0.758 7.448 14.660 1.00 0.00 O ATOM 0 H ASP A 64 0.774 3.196 13.177 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.928 4.399 13.234 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.880 5.488 13.201 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.381 6.419 12.417 1.00 0.00 H new ATOM 1031 N GLY A 65 -0.975 3.022 10.803 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.067 2.794 9.373 1.00 0.00 C ATOM 1033 C GLY A 65 -0.170 3.721 8.578 1.00 0.00 C ATOM 1034 O GLY A 65 -0.632 4.717 8.021 1.00 0.00 O ATOM 0 H GLY A 65 -0.868 2.178 11.366 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.799 1.760 9.155 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.100 2.930 9.052 1.00 0.00 H new ATOM 1038 N VAL A 66 1.118 3.395 8.525 1.00 0.00 N ATOM 1039 CA VAL A 66 2.083 4.206 7.793 1.00 0.00 C ATOM 1040 C VAL A 66 2.677 3.431 6.623 1.00 0.00 C ATOM 1041 O VAL A 66 3.154 2.309 6.787 1.00 0.00 O ATOM 1042 CB VAL A 66 3.224 4.685 8.710 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.246 5.486 7.918 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.670 5.506 9.865 1.00 0.00 C ATOM 0 H VAL A 66 1.517 2.574 8.981 1.00 0.00 H new ATOM 0 HA VAL A 66 1.544 5.074 7.413 1.00 0.00 H new ATOM 0 HB VAL A 66 3.726 3.810 9.124 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.044 5.816 8.583 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.665 4.862 7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.762 6.355 7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.490 5.836 10.503 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.142 6.375 9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.980 4.895 10.448 1.00 0.00 H new ATOM 1054 N ALA A 67 2.645 4.038 5.441 1.00 0.00 N ATOM 1055 CA ALA A 67 3.183 3.406 4.243 1.00 0.00 C ATOM 1056 C ALA A 67 4.059 4.376 3.457 1.00 0.00 C ATOM 1057 O ALA A 67 3.787 5.575 3.412 1.00 0.00 O ATOM 1058 CB ALA A 67 2.053 2.884 3.368 1.00 0.00 C ATOM 0 H ALA A 67 2.252 4.967 5.288 1.00 0.00 H new ATOM 0 HA ALA A 67 3.804 2.566 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.470 2.415 2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.470 2.151 3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.408 3.712 3.074 1.00 0.00 H new ATOM 1064 N SER A 68 5.111 3.848 2.838 1.00 0.00 N ATOM 1065 CA SER A 68 6.029 4.668 2.057 1.00 0.00 C ATOM 1066 C SER A 68 5.929 4.331 0.572 1.00 0.00 C ATOM 1067 O SER A 68 6.314 3.244 0.143 1.00 0.00 O ATOM 1068 CB SER A 68 7.466 4.466 2.542 1.00 0.00 C ATOM 1069 OG SER A 68 8.397 4.974 1.603 1.00 0.00 O ATOM 0 H SER A 68 5.348 2.856 2.863 1.00 0.00 H new ATOM 0 HA SER A 68 5.751 5.713 2.194 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.603 4.965 3.501 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.652 3.405 2.706 1.00 0.00 H new ATOM 0 HG SER A 68 9.308 4.834 1.937 1.00 0.00 H new ATOM 1075 N VAL A 69 5.409 5.273 -0.208 1.00 0.00 N ATOM 1076 CA VAL A 69 5.259 5.079 -1.645 1.00 0.00 C ATOM 1077 C VAL A 69 6.358 5.801 -2.415 1.00 0.00 C ATOM 1078 O VAL A 69 6.393 7.030 -2.462 1.00 0.00 O ATOM 1079 CB VAL A 69 3.888 5.579 -2.139 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.642 5.134 -3.573 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.779 5.086 -1.222 1.00 0.00 C ATOM 0 H VAL A 69 5.084 6.178 0.131 1.00 0.00 H new ATOM 0 HA VAL A 69 5.335 4.007 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 69 3.889 6.669 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.669 5.496 -3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.420 5.541 -4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.660 4.045 -3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.818 5.449 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.775 3.996 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.949 5.460 -0.212 1.00 0.00 H new ATOM 1091 N SER A 70 7.256 5.028 -3.019 1.00 0.00 N ATOM 1092 CA SER A 70 8.360 5.594 -3.785 1.00 0.00 C ATOM 1093 C SER A 70 7.930 5.893 -5.218 1.00 0.00 C ATOM 1094 O SER A 70 7.309 5.060 -5.878 1.00 0.00 O ATOM 1095 CB SER A 70 9.551 4.634 -3.788 1.00 0.00 C ATOM 1096 OG SER A 70 10.078 4.470 -2.482 1.00 0.00 O ATOM 0 H SER A 70 7.240 4.008 -2.992 1.00 0.00 H new ATOM 0 HA SER A 70 8.657 6.529 -3.311 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.241 3.666 -4.183 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.327 5.015 -4.452 1.00 0.00 H new ATOM 0 HG SER A 70 10.837 3.851 -2.511 1.00 0.00 H new ATOM 1102 N PHE A 71 8.265 7.088 -5.692 1.00 0.00 N ATOM 1103 CA PHE A 71 7.913 7.499 -7.046 1.00 0.00 C ATOM 1104 C PHE A 71 9.164 7.705 -7.895 1.00 0.00 C ATOM 1105 O PHE A 71 10.287 7.623 -7.395 1.00 0.00 O ATOM 1106 CB PHE A 71 7.088 8.787 -7.013 1.00 0.00 C ATOM 1107 CG PHE A 71 5.721 8.608 -6.417 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.561 8.458 -5.049 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.595 8.591 -7.225 1.00 0.00 C ATOM 1110 CE1 PHE A 71 4.304 8.292 -4.499 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.336 8.426 -6.681 1.00 0.00 C ATOM 1112 CZ PHE A 71 3.190 8.278 -5.315 1.00 0.00 C ATOM 0 H PHE A 71 8.780 7.789 -5.159 1.00 0.00 H new ATOM 0 HA PHE A 71 7.317 6.705 -7.496 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.629 9.541 -6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.986 9.170 -8.028 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.428 8.471 -4.405 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.703 8.708 -8.293 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.193 8.173 -3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.467 8.413 -7.322 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.207 8.152 -4.886 1.00 0.00 H new ATOM 1122 N ARG A 72 8.963 7.973 -9.181 1.00 0.00 N ATOM 1123 CA ARG A 72 10.074 8.190 -10.099 1.00 0.00 C ATOM 1124 C ARG A 72 10.241 9.674 -10.410 1.00 0.00 C ATOM 1125 O ARG A 72 11.360 10.186 -10.459 1.00 0.00 O ATOM 1126 CB ARG A 72 9.851 7.408 -11.396 1.00 0.00 C ATOM 1127 CG ARG A 72 10.924 7.650 -12.445 1.00 0.00 C ATOM 1128 CD ARG A 72 12.217 6.930 -12.094 1.00 0.00 C ATOM 1129 NE ARG A 72 13.048 6.693 -13.272 1.00 0.00 N ATOM 1130 CZ ARG A 72 14.355 6.464 -13.215 1.00 0.00 C ATOM 1131 NH1 ARG A 72 14.977 6.440 -12.045 1.00 0.00 N ATOM 1132 NH2 ARG A 72 15.043 6.256 -14.331 1.00 0.00 N ATOM 0 H ARG A 72 8.041 8.045 -9.611 1.00 0.00 H new ATOM 0 HA ARG A 72 10.985 7.833 -9.618 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.813 6.343 -11.166 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.881 7.679 -11.812 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.568 7.308 -13.417 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.114 8.720 -12.533 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.776 7.521 -11.369 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.984 5.978 -11.617 1.00 0.00 H new ATOM 0 HE ARG A 72 12.600 6.704 -14.188 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.452 6.598 -11.185 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.981 6.264 -12.005 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.568 6.272 -15.233 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.047 6.080 -14.286 1.00 0.00 H new ATOM 1146 N ASP A 73 9.123 10.359 -10.620 1.00 0.00 N ATOM 1147 CA ASP A 73 9.145 11.785 -10.926 1.00 0.00 C ATOM 1148 C ASP A 73 8.644 12.603 -9.740 1.00 0.00 C ATOM 1149 O ASP A 73 7.643 12.271 -9.104 1.00 0.00 O ATOM 1150 CB ASP A 73 8.291 12.077 -12.160 1.00 0.00 C ATOM 1151 CG ASP A 73 7.100 11.145 -12.274 1.00 0.00 C ATOM 1152 OD1 ASP A 73 6.722 10.539 -11.250 1.00 0.00 O ATOM 1153 OD2 ASP A 73 6.548 11.021 -13.388 1.00 0.00 O ATOM 0 H ASP A 73 8.189 9.950 -10.584 1.00 0.00 H new ATOM 0 HA ASP A 73 10.176 12.071 -11.132 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.939 13.108 -12.119 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.907 11.986 -13.055 1.00 0.00 H new ATOM 1158 N PRO A 74 9.356 13.697 -9.433 1.00 0.00 N ATOM 1159 CA PRO A 74 9.003 14.585 -8.321 1.00 0.00 C ATOM 1160 C PRO A 74 7.725 15.372 -8.591 1.00 0.00 C ATOM 1161 O PRO A 74 7.133 15.943 -7.676 1.00 0.00 O ATOM 1162 CB PRO A 74 10.203 15.530 -8.226 1.00 0.00 C ATOM 1163 CG PRO A 74 10.792 15.532 -9.594 1.00 0.00 C ATOM 1164 CD PRO A 74 10.560 14.153 -10.147 1.00 0.00 C ATOM 0 HA PRO A 74 8.807 14.030 -7.403 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.895 16.532 -7.926 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.923 15.182 -7.485 1.00 0.00 H new ATOM 0 HG2 PRO A 74 10.320 16.288 -10.221 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.856 15.765 -9.560 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.404 14.174 -11.226 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.410 13.497 -9.961 1.00 0.00 H new ATOM 1172 N GLU A 75 7.306 15.397 -9.852 1.00 0.00 N ATOM 1173 CA GLU A 75 6.098 16.115 -10.241 1.00 0.00 C ATOM 1174 C GLU A 75 4.849 15.320 -9.869 1.00 0.00 C ATOM 1175 O GLU A 75 3.855 15.885 -9.415 1.00 0.00 O ATOM 1176 CB GLU A 75 6.107 16.396 -11.745 1.00 0.00 C ATOM 1177 CG GLU A 75 7.211 17.345 -12.180 1.00 0.00 C ATOM 1178 CD GLU A 75 7.034 17.833 -13.605 1.00 0.00 C ATOM 1179 OE1 GLU A 75 7.432 17.102 -14.536 1.00 0.00 O ATOM 1180 OE2 GLU A 75 6.497 18.945 -13.789 1.00 0.00 O ATOM 0 H GLU A 75 7.785 14.929 -10.621 1.00 0.00 H new ATOM 0 HA GLU A 75 6.080 17.062 -9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.217 15.454 -12.282 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.144 16.816 -12.033 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.234 18.202 -11.507 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.174 16.842 -12.089 1.00 0.00 H new ATOM 1187 N GLU A 76 4.910 14.007 -10.067 1.00 0.00 N ATOM 1188 CA GLU A 76 3.783 13.136 -9.753 1.00 0.00 C ATOM 1189 C GLU A 76 3.532 13.091 -8.249 1.00 0.00 C ATOM 1190 O GLU A 76 2.417 13.334 -7.788 1.00 0.00 O ATOM 1191 CB GLU A 76 4.041 11.722 -10.280 1.00 0.00 C ATOM 1192 CG GLU A 76 2.963 10.723 -9.896 1.00 0.00 C ATOM 1193 CD GLU A 76 3.146 9.378 -10.572 1.00 0.00 C ATOM 1194 OE1 GLU A 76 3.777 9.336 -11.649 1.00 0.00 O ATOM 1195 OE2 GLU A 76 2.659 8.368 -10.023 1.00 0.00 O ATOM 0 H GLU A 76 5.726 13.524 -10.443 1.00 0.00 H new ATOM 0 HA GLU A 76 2.896 13.542 -10.240 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.121 11.757 -11.366 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.001 11.372 -9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.969 10.586 -8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.986 11.128 -10.161 1.00 0.00 H new ATOM 1202 N ALA A 77 4.577 12.779 -7.489 1.00 0.00 N ATOM 1203 CA ALA A 77 4.471 12.704 -6.037 1.00 0.00 C ATOM 1204 C ALA A 77 3.794 13.947 -5.471 1.00 0.00 C ATOM 1205 O ALA A 77 2.716 13.865 -4.881 1.00 0.00 O ATOM 1206 CB ALA A 77 5.848 12.521 -5.416 1.00 0.00 C ATOM 0 H ALA A 77 5.507 12.574 -7.855 1.00 0.00 H new ATOM 0 HA ALA A 77 3.854 11.841 -5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.754 12.467 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.295 11.599 -5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.483 13.366 -5.683 1.00 0.00 H new ATOM 1212 N ASP A 78 4.432 15.098 -5.654 1.00 0.00 N ATOM 1213 CA ASP A 78 3.891 16.359 -5.162 1.00 0.00 C ATOM 1214 C ASP A 78 2.389 16.441 -5.413 1.00 0.00 C ATOM 1215 O ASP A 78 1.665 17.130 -4.693 1.00 0.00 O ATOM 1216 CB ASP A 78 4.598 17.538 -5.833 1.00 0.00 C ATOM 1217 CG ASP A 78 4.142 18.875 -5.283 1.00 0.00 C ATOM 1218 OD1 ASP A 78 4.091 19.020 -4.044 1.00 0.00 O ATOM 1219 OD2 ASP A 78 3.835 19.776 -6.091 1.00 0.00 O ATOM 0 H ASP A 78 5.325 15.183 -6.140 1.00 0.00 H new ATOM 0 HA ASP A 78 4.064 16.405 -4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.675 17.439 -5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.411 17.507 -6.906 1.00 0.00 H new ATOM 1224 N TYR A 79 1.926 15.734 -6.438 1.00 0.00 N ATOM 1225 CA TYR A 79 0.511 15.730 -6.787 1.00 0.00 C ATOM 1226 C TYR A 79 -0.202 14.538 -6.155 1.00 0.00 C ATOM 1227 O TYR A 79 -1.404 14.588 -5.889 1.00 0.00 O ATOM 1228 CB TYR A 79 0.338 15.695 -8.306 1.00 0.00 C ATOM 1229 CG TYR A 79 -1.101 15.551 -8.749 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -2.109 16.300 -8.155 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.452 14.666 -9.761 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.425 16.171 -8.555 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.765 14.532 -10.169 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.748 15.287 -9.563 1.00 0.00 C ATOM 1235 OH TYR A 79 -5.057 15.155 -9.966 1.00 0.00 O ATOM 0 H TYR A 79 2.511 15.156 -7.042 1.00 0.00 H new ATOM 0 HA TYR A 79 0.065 16.646 -6.399 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.750 16.610 -8.731 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.918 14.866 -8.710 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.860 16.995 -7.367 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.685 14.073 -10.237 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.197 16.759 -8.081 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.021 13.840 -10.958 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.112 14.492 -10.686 1.00 0.00 H new ATOM 1245 N CYS A 80 0.547 13.467 -5.917 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.011 12.261 -5.316 1.00 0.00 C ATOM 1247 C CYS A 80 -0.269 12.465 -3.827 1.00 0.00 C ATOM 1248 O CYS A 80 -0.964 11.670 -3.193 1.00 0.00 O ATOM 1249 CB CYS A 80 0.934 11.077 -5.526 1.00 0.00 C ATOM 1250 SG CYS A 80 0.095 9.488 -5.721 1.00 0.00 S ATOM 0 H CYS A 80 1.543 13.409 -6.131 1.00 0.00 H new ATOM 0 HA CYS A 80 -0.962 12.048 -5.804 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.543 11.265 -6.410 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.615 11.014 -4.677 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.804 9.584 -6.655 1.00 0.00 H new ATOM 1256 N ILE A 81 0.297 13.532 -3.275 1.00 0.00 N ATOM 1257 CA ILE A 81 0.129 13.839 -1.860 1.00 0.00 C ATOM 1258 C ILE A 81 -1.083 14.737 -1.632 1.00 0.00 C ATOM 1259 O ILE A 81 -1.665 14.747 -0.548 1.00 0.00 O ATOM 1260 CB ILE A 81 1.379 14.528 -1.280 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.470 15.971 -1.779 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.632 13.751 -1.655 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.676 16.951 -0.944 1.00 0.00 C ATOM 0 H ILE A 81 0.876 14.199 -3.786 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.023 12.889 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 81 1.297 14.545 -0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.516 16.278 -1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.116 16.014 -2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.507 14.249 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.566 12.739 -1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.722 13.707 -2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.787 17.954 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.377 16.669 -0.955 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.045 16.938 0.082 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.459 15.487 -2.663 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.603 16.387 -2.575 1.00 0.00 C ATOM 1277 C GLN A 82 -3.881 15.688 -3.028 1.00 0.00 C ATOM 1278 O GLN A 82 -4.985 16.087 -2.655 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.362 17.636 -3.425 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.716 17.342 -4.769 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.618 18.572 -5.651 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.570 18.929 -6.345 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.463 19.227 -5.627 1.00 0.00 N ATOM 0 H GLN A 82 -0.989 15.489 -3.568 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.722 16.683 -1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.313 18.141 -3.591 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.727 18.326 -2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.718 16.935 -4.607 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.293 16.575 -5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.299 18.895 -5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.338 20.062 -6.199 1.00 0.00 H new ATOM 1292 N THR A 83 -3.725 14.643 -3.835 1.00 0.00 N ATOM 1293 CA THR A 83 -4.865 13.890 -4.340 1.00 0.00 C ATOM 1294 C THR A 83 -5.171 12.691 -3.449 1.00 0.00 C ATOM 1295 O THR A 83 -6.305 12.215 -3.399 1.00 0.00 O ATOM 1296 CB THR A 83 -4.621 13.397 -5.779 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.756 14.486 -6.699 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.600 12.292 -6.146 1.00 0.00 C ATOM 0 H THR A 83 -2.819 14.299 -4.153 1.00 0.00 H new ATOM 0 HA THR A 83 -5.718 14.569 -4.336 1.00 0.00 H new ATOM 0 HB THR A 83 -3.609 12.997 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.922 14.595 -7.202 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.408 11.960 -7.166 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.475 11.453 -5.462 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.620 12.670 -6.073 1.00 0.00 H new ATOM 1306 N LEU A 84 -4.152 12.208 -2.747 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.312 11.063 -1.856 1.00 0.00 C ATOM 1308 C LEU A 84 -4.581 11.520 -0.426 1.00 0.00 C ATOM 1309 O LEU A 84 -4.871 10.707 0.452 1.00 0.00 O ATOM 1310 CB LEU A 84 -3.061 10.183 -1.895 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.697 9.595 -3.259 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.389 8.824 -3.175 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.815 8.697 -3.768 1.00 0.00 C ATOM 0 H LEU A 84 -3.207 12.591 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.168 10.483 -2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.216 10.771 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.197 9.361 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.567 10.416 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.146 8.413 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.591 9.494 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.491 8.012 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.539 8.287 -4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.976 7.882 -3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.732 9.278 -3.867 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.486 12.826 -0.200 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.723 13.392 1.123 1.00 0.00 C ATOM 1327 C ASP A 85 -6.174 13.191 1.548 1.00 0.00 C ATOM 1328 O ASP A 85 -6.542 13.470 2.689 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.377 14.882 1.133 1.00 0.00 C ATOM 1330 CG ASP A 85 -5.567 15.754 0.784 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -6.297 15.408 -0.169 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -5.767 16.783 1.462 1.00 0.00 O ATOM 0 H ASP A 85 -4.247 13.512 -0.916 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.080 12.873 1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.004 15.159 2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.572 15.070 0.423 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.995 12.705 0.622 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.397 12.476 0.920 1.00 0.00 C ATOM 1339 C GLY A 86 -8.834 11.060 0.600 1.00 0.00 C ATOM 1340 O GLY A 86 -10.014 10.728 0.710 1.00 0.00 O ATOM 0 H GLY A 86 -6.714 12.466 -0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.579 12.679 1.975 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.006 13.178 0.351 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.881 10.224 0.202 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.174 8.836 -0.137 1.00 0.00 C ATOM 1346 C ARG A 87 -8.859 8.125 1.026 1.00 0.00 C ATOM 1347 O ARG A 87 -8.816 8.593 2.164 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.888 8.098 -0.514 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.444 8.340 -1.947 1.00 0.00 C ATOM 1350 CD ARG A 87 -7.033 7.307 -2.894 1.00 0.00 C ATOM 1351 NE ARG A 87 -8.355 7.697 -3.378 1.00 0.00 N ATOM 1352 CZ ARG A 87 -8.945 7.144 -4.432 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -8.334 6.180 -5.108 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -10.149 7.554 -4.811 1.00 0.00 N ATOM 0 H ARG A 87 -6.899 10.483 0.106 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.851 8.832 -0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.090 8.407 0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.036 7.029 -0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.749 9.338 -2.260 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.356 8.308 -2.002 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.363 7.170 -3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.103 6.346 -2.384 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.853 8.435 -2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.409 5.862 -4.819 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.789 5.757 -5.917 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.622 8.294 -4.293 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.601 7.129 -5.620 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.490 6.994 0.732 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.185 6.219 1.754 1.00 0.00 C ATOM 1370 C TRP A 88 -9.761 4.755 1.708 1.00 0.00 C ATOM 1371 O TRP A 88 -9.969 4.070 0.706 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.699 6.331 1.566 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.237 7.695 1.879 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.135 8.813 1.102 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -12.958 8.083 3.053 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.750 9.874 1.723 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.263 9.452 2.920 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.378 7.408 4.202 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -13.967 10.155 3.894 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -14.076 8.107 5.168 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.365 9.469 5.009 1.00 0.00 C ATOM 0 H TRP A 88 -9.535 6.593 -0.205 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.916 6.625 2.729 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.950 6.077 0.536 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.192 5.598 2.204 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.644 8.857 0.141 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.814 10.822 1.352 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.161 6.358 4.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.191 11.205 3.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.404 7.595 6.061 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.913 9.988 5.782 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.167 4.281 2.798 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.713 2.898 2.881 1.00 0.00 C ATOM 1394 C PHE A 89 -9.431 2.157 4.006 1.00 0.00 C ATOM 1395 O PHE A 89 -9.580 2.677 5.111 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.201 2.847 3.106 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.401 3.008 1.845 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.686 4.031 0.954 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.365 2.137 1.550 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.952 4.180 -0.207 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.628 2.281 0.390 1.00 0.00 C ATOM 1402 CZ PHE A 89 -4.921 3.305 -0.489 1.00 0.00 C ATOM 0 H PHE A 89 -8.989 4.834 3.636 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.949 2.407 1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.920 3.632 3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.943 1.896 3.571 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.490 4.719 1.170 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.130 1.336 2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.184 4.980 -0.894 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.824 1.594 0.171 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.345 3.421 -1.395 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.875 0.938 3.714 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.573 0.145 4.709 1.00 0.00 C ATOM 1414 C GLY A 90 -11.891 0.766 5.126 1.00 0.00 C ATOM 1415 O GLY A 90 -12.572 0.257 6.015 1.00 0.00 O ATOM 0 H GLY A 90 -9.764 0.486 2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.755 -0.853 4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.937 0.027 5.586 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.253 1.871 4.481 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.497 2.546 4.805 1.00 0.00 C ATOM 1421 C GLY A 91 -13.272 3.903 5.441 1.00 0.00 C ATOM 1422 O GLY A 91 -14.199 4.705 5.553 1.00 0.00 O ATOM 0 H GLY A 91 -11.707 2.311 3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.088 2.667 3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.079 1.922 5.483 1.00 0.00 H new ATOM 1426 N ARG A 92 -12.037 4.161 5.861 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.694 5.429 6.493 1.00 0.00 C ATOM 1428 C ARG A 92 -10.809 6.270 5.578 1.00 0.00 C ATOM 1429 O ARG A 92 -10.117 5.739 4.709 1.00 0.00 O ATOM 1430 CB ARG A 92 -10.983 5.184 7.825 1.00 0.00 C ATOM 1431 CG ARG A 92 -9.554 4.688 7.670 1.00 0.00 C ATOM 1432 CD ARG A 92 -9.155 3.773 8.817 1.00 0.00 C ATOM 1433 NE ARG A 92 -8.986 4.507 10.068 1.00 0.00 N ATOM 1434 CZ ARG A 92 -9.018 3.934 11.266 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -9.212 2.626 11.375 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -8.856 4.669 12.359 1.00 0.00 N ATOM 0 H ARG A 92 -11.258 3.508 5.775 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.619 5.976 6.679 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.977 6.110 8.400 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.551 4.454 8.402 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.453 4.154 6.725 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.875 5.539 7.629 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.915 3.003 8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -8.225 3.263 8.567 1.00 0.00 H new ATOM 0 HE ARG A 92 -8.835 5.515 10.019 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.337 2.057 10.537 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.236 2.189 12.296 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.707 5.675 12.280 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.881 4.228 13.278 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.837 7.583 5.779 1.00 0.00 N ATOM 1451 CA GLN A 93 -10.038 8.497 4.972 1.00 0.00 C ATOM 1452 C GLN A 93 -8.567 8.429 5.368 1.00 0.00 C ATOM 1453 O GLN A 93 -8.229 7.969 6.459 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.554 9.929 5.123 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.352 10.783 3.881 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.464 12.267 4.169 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.516 12.685 5.326 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.500 13.073 3.114 1.00 0.00 N ATOM 0 H GLN A 93 -11.405 8.038 6.494 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.129 8.194 3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.616 9.900 5.365 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.048 10.402 5.965 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.371 10.572 3.455 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.091 10.506 3.130 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.454 12.683 2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.573 14.082 3.245 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.697 8.891 4.476 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.262 8.883 4.733 1.00 0.00 C ATOM 1469 C ILE A 94 -5.611 10.175 4.254 1.00 0.00 C ATOM 1470 O ILE A 94 -6.087 10.814 3.315 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.574 7.689 4.046 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.599 7.863 2.526 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.249 6.386 4.447 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.834 6.790 1.783 1.00 0.00 C ATOM 0 H ILE A 94 -7.961 9.276 3.569 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.135 8.793 5.812 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.534 7.652 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.634 7.862 2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.181 8.837 2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.751 5.551 3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.183 6.260 5.528 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.297 6.412 4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.894 6.976 0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.790 6.805 2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.266 5.814 2.007 1.00 0.00 H new ATOM 1486 N THR A 95 -4.516 10.557 4.905 1.00 0.00 N ATOM 1487 CA THR A 95 -3.798 11.773 4.546 1.00 0.00 C ATOM 1488 C THR A 95 -2.513 11.450 3.793 1.00 0.00 C ATOM 1489 O THR A 95 -1.943 10.371 3.952 1.00 0.00 O ATOM 1490 CB THR A 95 -3.452 12.610 5.792 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.840 13.843 5.399 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.517 11.845 6.716 1.00 0.00 C ATOM 0 H THR A 95 -4.107 10.041 5.684 1.00 0.00 H new ATOM 0 HA THR A 95 -4.459 12.351 3.901 1.00 0.00 H new ATOM 0 HB THR A 95 -4.377 12.819 6.330 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.625 14.370 6.197 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.287 12.457 7.589 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.998 10.921 7.037 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.595 11.608 6.186 1.00 0.00 H new ATOM 1500 N ALA A 96 -2.060 12.393 2.972 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.840 12.209 2.196 1.00 0.00 C ATOM 1502 C ALA A 96 0.051 13.444 2.274 1.00 0.00 C ATOM 1503 O ALA A 96 -0.436 14.561 2.443 1.00 0.00 O ATOM 1504 CB ALA A 96 -1.179 11.891 0.747 1.00 0.00 C ATOM 0 H ALA A 96 -2.520 13.292 2.828 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.291 11.369 2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.258 11.756 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.769 10.976 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.752 12.713 0.319 1.00 0.00 H new ATOM 1510 N GLN A 97 1.357 13.234 2.150 1.00 0.00 N ATOM 1511 CA GLN A 97 2.316 14.331 2.207 1.00 0.00 C ATOM 1512 C GLN A 97 3.679 13.891 1.685 1.00 0.00 C ATOM 1513 O GLN A 97 3.967 12.698 1.601 1.00 0.00 O ATOM 1514 CB GLN A 97 2.448 14.846 3.642 1.00 0.00 C ATOM 1515 CG GLN A 97 2.638 13.742 4.669 1.00 0.00 C ATOM 1516 CD GLN A 97 1.325 13.249 5.246 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.901 13.686 6.316 1.00 0.00 O ATOM 1518 NE2 GLN A 97 0.673 12.335 4.537 1.00 0.00 N ATOM 0 H GLN A 97 1.776 12.315 2.009 1.00 0.00 H new ATOM 0 HA GLN A 97 1.947 15.136 1.571 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.294 15.531 3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.556 15.419 3.897 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.163 12.907 4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.271 14.108 5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.062 12.001 3.655 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.216 11.967 4.874 1.00 0.00 H new ATOM 1527 N ALA A 98 4.515 14.863 1.334 1.00 0.00 N ATOM 1528 CA ALA A 98 5.849 14.576 0.822 1.00 0.00 C ATOM 1529 C ALA A 98 6.828 14.307 1.959 1.00 0.00 C ATOM 1530 O ALA A 98 6.884 15.058 2.933 1.00 0.00 O ATOM 1531 CB ALA A 98 6.342 15.728 -0.041 1.00 0.00 C ATOM 0 H ALA A 98 4.292 15.856 1.395 1.00 0.00 H new ATOM 0 HA ALA A 98 5.790 13.677 0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.340 15.500 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.662 15.871 -0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.378 16.640 0.555 1.00 0.00 H new ATOM 1537 N TRP A 99 7.597 13.232 1.830 1.00 0.00 N ATOM 1538 CA TRP A 99 8.574 12.863 2.848 1.00 0.00 C ATOM 1539 C TRP A 99 9.913 13.543 2.589 1.00 0.00 C ATOM 1540 O TRP A 99 10.220 13.919 1.457 1.00 0.00 O ATOM 1541 CB TRP A 99 8.757 11.345 2.883 1.00 0.00 C ATOM 1542 CG TRP A 99 9.652 10.880 3.991 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.613 11.277 5.298 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.721 9.933 3.890 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.593 10.633 6.014 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.286 9.802 5.173 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.253 9.180 2.840 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.357 8.951 5.432 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.317 8.336 3.098 1.00 0.00 C ATOM 1550 CH2 TRP A 99 12.859 8.226 4.385 1.00 0.00 C ATOM 0 H TRP A 99 7.563 12.600 1.030 1.00 0.00 H new ATOM 0 HA TRP A 99 8.198 13.199 3.815 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.781 10.871 2.991 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.169 11.014 1.930 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.915 11.992 5.708 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.775 10.754 7.010 1.00 0.00 H new ATOM 0 HE3 TRP A 99 10.840 9.256 1.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 12.777 8.866 6.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 12.738 7.751 2.293 1.00 0.00 H new ATOM 0 HH2 TRP A 99 13.689 7.556 4.555 1.00 0.00 H new ATOM 1561 N ASP A 100 10.707 13.699 3.642 1.00 0.00 N ATOM 1562 CA ASP A 100 12.015 14.333 3.528 1.00 0.00 C ATOM 1563 C ASP A 100 13.132 13.323 3.770 1.00 0.00 C ATOM 1564 O ASP A 100 13.928 13.036 2.876 1.00 0.00 O ATOM 1565 CB ASP A 100 12.133 15.490 4.521 1.00 0.00 C ATOM 1566 CG ASP A 100 13.501 16.143 4.489 1.00 0.00 C ATOM 1567 OD1 ASP A 100 13.824 16.796 3.474 1.00 0.00 O ATOM 1568 OD2 ASP A 100 14.249 16.002 5.479 1.00 0.00 O ATOM 0 H ASP A 100 10.467 13.395 4.586 1.00 0.00 H new ATOM 0 HA ASP A 100 12.115 14.722 2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.372 16.237 4.296 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.932 15.123 5.528 1.00 0.00 H new ATOM 1573 N GLY A 101 13.185 12.786 4.985 1.00 0.00 N ATOM 1574 CA GLY A 101 14.209 11.815 5.323 1.00 0.00 C ATOM 1575 C GLY A 101 14.642 11.909 6.773 1.00 0.00 C ATOM 1576 O GLY A 101 15.834 11.859 7.077 1.00 0.00 O ATOM 0 H GLY A 101 12.537 13.006 5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.833 10.811 5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.075 11.965 4.678 1.00 0.00 H new ATOM 1580 N THR A 102 13.672 12.049 7.671 1.00 0.00 N ATOM 1581 CA THR A 102 13.959 12.154 9.096 1.00 0.00 C ATOM 1582 C THR A 102 13.332 11.000 9.870 1.00 0.00 C ATOM 1583 O THR A 102 13.918 10.487 10.823 1.00 0.00 O ATOM 1584 CB THR A 102 13.445 13.486 9.676 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.522 13.459 11.105 1.00 0.00 O ATOM 1586 CG2 THR A 102 12.010 13.746 9.244 1.00 0.00 C ATOM 0 H THR A 102 12.680 12.092 7.436 1.00 0.00 H new ATOM 0 HA THR A 102 15.043 12.113 9.204 1.00 0.00 H new ATOM 0 HB THR A 102 14.073 14.291 9.294 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.195 14.309 11.466 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.669 14.692 9.665 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.961 13.795 8.156 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.371 12.938 9.600 1.00 0.00 H new ATOM 1594 N THR A 103 12.136 10.595 9.453 1.00 0.00 N ATOM 1595 CA THR A 103 11.429 9.502 10.108 1.00 0.00 C ATOM 1596 C THR A 103 12.280 8.237 10.139 1.00 0.00 C ATOM 1597 O THR A 103 13.166 8.054 9.305 1.00 0.00 O ATOM 1598 CB THR A 103 10.096 9.192 9.400 1.00 0.00 C ATOM 1599 OG1 THR A 103 9.210 8.516 10.300 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.325 8.334 8.165 1.00 0.00 C ATOM 0 H THR A 103 11.637 11.008 8.665 1.00 0.00 H new ATOM 0 HA THR A 103 11.224 9.824 11.129 1.00 0.00 H new ATOM 0 HB THR A 103 9.647 10.135 9.088 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.594 7.950 9.789 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.369 8.129 7.682 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.976 8.864 7.470 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.794 7.394 8.457 1.00 0.00 H new ATOM 1608 N ASP A 104 12.004 7.369 11.106 1.00 0.00 N ATOM 1609 CA ASP A 104 12.744 6.120 11.245 1.00 0.00 C ATOM 1610 C ASP A 104 11.845 4.921 10.961 1.00 0.00 C ATOM 1611 O ASP A 104 11.984 3.867 11.582 1.00 0.00 O ATOM 1612 CB ASP A 104 13.336 6.007 12.651 1.00 0.00 C ATOM 1613 CG ASP A 104 12.291 6.180 13.735 1.00 0.00 C ATOM 1614 OD1 ASP A 104 11.731 7.291 13.846 1.00 0.00 O ATOM 1615 OD2 ASP A 104 12.034 5.206 14.473 1.00 0.00 O ATOM 0 H ASP A 104 11.274 7.507 11.805 1.00 0.00 H new ATOM 0 HA ASP A 104 13.555 6.124 10.517 1.00 0.00 H new ATOM 0 HB2 ASP A 104 13.814 5.034 12.763 1.00 0.00 H new ATOM 0 HB3 ASP A 104 14.113 6.761 12.776 1.00 0.00 H new ATOM 1620 N TYR A 105 10.922 5.090 10.021 1.00 0.00 N ATOM 1621 CA TYR A 105 9.997 4.023 9.657 1.00 0.00 C ATOM 1622 C TYR A 105 10.753 2.758 9.263 1.00 0.00 C ATOM 1623 O TYR A 105 10.647 1.727 9.928 1.00 0.00 O ATOM 1624 CB TYR A 105 9.096 4.471 8.505 1.00 0.00 C ATOM 1625 CG TYR A 105 8.175 5.615 8.866 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.540 5.658 10.101 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.940 6.653 7.973 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.698 6.701 10.436 1.00 0.00 C ATOM 1629 CE2 TYR A 105 7.101 7.700 8.299 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.482 7.719 9.531 1.00 0.00 C ATOM 1631 OH TYR A 105 5.643 8.760 9.860 1.00 0.00 O ATOM 0 H TYR A 105 10.794 5.956 9.497 1.00 0.00 H new ATOM 0 HA TYR A 105 9.379 3.800 10.527 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.719 4.770 7.662 1.00 0.00 H new ATOM 0 HB3 TYR A 105 8.496 3.624 8.173 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.707 4.862 10.812 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.422 6.641 7.007 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.212 6.719 11.400 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.931 8.499 7.593 1.00 0.00 H new ATOM 0 HH TYR A 105 5.600 9.394 9.114 1.00 0.00 H new