USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 THR OG1 : rot 179:sc= 0.659 USER MOD Set 1.2: A 31 THR OG1 : rot 180:sc= 0.00806! USER MOD Set 2.1: A 19 LYS NZ :NH3+ -114:sc= 0.641 (180deg=0) USER MOD Set 2.2: A 37 GLN :FLIP amide:sc= -11.1! C(o=-11!,f=-10!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0074 USER MOD Single : A 17 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.642) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.043) USER MOD Single : A 38 TYR OH : rot 90:sc= -3.58! USER MOD Single : A 43 SER OG : rot 43:sc= -3.1! USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0788) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -10.5! C(o=-10!,f=-15!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.87! C(o=-1.9!,f=-9.8!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -5.07! C(o=-5.1!,f=-5.2!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -2.29! C(o=-2.3!,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 12.009 -0.473 3.153 1.00 0.00 N ATOM 216 CA CYS A 14 11.803 0.786 3.919 1.00 0.00 C ATOM 217 C CYS A 14 10.956 0.493 5.161 1.00 0.00 C ATOM 218 O CYS A 14 9.780 0.200 5.067 1.00 0.00 O ATOM 219 CB CYS A 14 11.077 1.731 2.955 1.00 0.00 C ATOM 220 SG CYS A 14 12.267 2.447 1.784 1.00 0.00 S ATOM 0 HA CYS A 14 12.736 1.228 4.269 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.302 1.188 2.414 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.580 2.524 3.514 1.00 0.00 H new ATOM 225 N THR A 15 11.550 0.541 6.324 1.00 0.00 N ATOM 226 CA THR A 15 10.781 0.231 7.566 1.00 0.00 C ATOM 227 C THR A 15 10.367 1.505 8.311 1.00 0.00 C ATOM 228 O THR A 15 9.664 1.444 9.299 1.00 0.00 O ATOM 229 CB THR A 15 11.739 -0.597 8.423 1.00 0.00 C ATOM 230 OG1 THR A 15 12.919 0.156 8.671 1.00 0.00 O ATOM 231 CG2 THR A 15 12.099 -1.888 7.686 1.00 0.00 C ATOM 0 H THR A 15 12.531 0.781 6.468 1.00 0.00 H new ATOM 0 HA THR A 15 9.855 -0.297 7.338 1.00 0.00 H new ATOM 0 HB THR A 15 11.260 -0.845 9.370 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.534 -0.372 9.222 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.782 -2.478 8.297 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.193 -2.463 7.496 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.579 -1.644 6.738 1.00 0.00 H new ATOM 239 N GLY A 16 10.790 2.656 7.861 1.00 0.00 N ATOM 240 CA GLY A 16 10.403 3.907 8.568 1.00 0.00 C ATOM 241 C GLY A 16 8.879 4.049 8.571 1.00 0.00 C ATOM 242 O GLY A 16 8.164 3.179 9.027 1.00 0.00 O ATOM 0 H GLY A 16 11.382 2.782 7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.778 3.888 9.591 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.857 4.768 8.078 1.00 0.00 H new ATOM 246 N LYS A 17 8.373 5.143 8.073 1.00 0.00 N ATOM 247 CA LYS A 17 6.896 5.341 8.059 1.00 0.00 C ATOM 248 C LYS A 17 6.457 5.872 6.690 1.00 0.00 C ATOM 249 O LYS A 17 7.233 6.475 5.982 1.00 0.00 O ATOM 250 CB LYS A 17 6.660 6.380 9.156 1.00 0.00 C ATOM 251 CG LYS A 17 5.216 6.307 9.657 1.00 0.00 C ATOM 252 CD LYS A 17 4.533 7.651 9.423 1.00 0.00 C ATOM 253 CE LYS A 17 4.568 7.973 7.931 1.00 0.00 C ATOM 254 NZ LYS A 17 3.788 9.234 7.789 1.00 0.00 N ATOM 0 H LYS A 17 8.918 5.908 7.675 1.00 0.00 H new ATOM 0 HA LYS A 17 6.331 4.425 8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.348 6.207 9.984 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.868 7.378 8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.677 5.516 9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.199 6.057 10.718 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.503 7.616 9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.038 8.434 9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.592 8.101 7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.127 7.168 7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.071 9.117 7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.319 9.455 8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.429 10.012 7.532 1.00 0.00 H new ATOM 268 N PHE A 18 5.229 5.644 6.297 1.00 0.00 N ATOM 269 CA PHE A 18 4.787 6.141 4.957 1.00 0.00 C ATOM 270 C PHE A 18 3.641 7.148 5.075 1.00 0.00 C ATOM 271 O PHE A 18 2.711 6.969 5.835 1.00 0.00 O ATOM 272 CB PHE A 18 4.328 4.901 4.207 1.00 0.00 C ATOM 273 CG PHE A 18 5.536 4.195 3.657 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.297 3.377 4.495 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.907 4.371 2.319 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.430 2.727 4.000 1.00 0.00 C ATOM 277 CE2 PHE A 18 7.043 3.723 1.821 1.00 0.00 C ATOM 278 CZ PHE A 18 7.805 2.900 2.663 1.00 0.00 C ATOM 0 H PHE A 18 4.522 5.143 6.836 1.00 0.00 H new ATOM 0 HA PHE A 18 5.594 6.664 4.445 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.775 4.239 4.874 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.651 5.177 3.398 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.009 3.247 5.528 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.318 5.005 1.673 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.016 2.092 4.648 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.333 3.857 0.789 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.682 2.399 2.279 1.00 0.00 H new ATOM 288 N LYS A 19 3.702 8.202 4.306 1.00 0.00 N ATOM 289 CA LYS A 19 2.622 9.225 4.345 1.00 0.00 C ATOM 290 C LYS A 19 1.792 9.131 3.066 1.00 0.00 C ATOM 291 O LYS A 19 2.298 9.307 1.979 1.00 0.00 O ATOM 292 CB LYS A 19 3.353 10.567 4.405 1.00 0.00 C ATOM 293 CG LYS A 19 2.331 11.702 4.484 1.00 0.00 C ATOM 294 CD LYS A 19 3.042 13.043 4.294 1.00 0.00 C ATOM 295 CE LYS A 19 3.414 13.219 2.819 1.00 0.00 C ATOM 296 NZ LYS A 19 3.872 14.631 2.705 1.00 0.00 N ATOM 0 H LYS A 19 4.458 8.398 3.650 1.00 0.00 H new ATOM 0 HA LYS A 19 1.945 9.093 5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.012 10.596 5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.982 10.690 3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.567 11.572 3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.822 11.681 5.448 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.395 13.859 4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.938 13.083 4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.200 12.524 2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.559 13.027 2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.208 15.164 2.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.910 15.061 3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.819 14.655 2.276 1.00 0.00 H new ATOM 310 N VAL A 20 0.526 8.860 3.173 1.00 0.00 N ATOM 311 CA VAL A 20 -0.296 8.764 1.938 1.00 0.00 C ATOM 312 C VAL A 20 -0.251 10.099 1.194 1.00 0.00 C ATOM 313 O VAL A 20 -0.571 11.139 1.735 1.00 0.00 O ATOM 314 CB VAL A 20 -1.717 8.460 2.417 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.629 8.240 1.208 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.706 7.197 3.280 1.00 0.00 C ATOM 0 H VAL A 20 0.028 8.702 4.049 1.00 0.00 H new ATOM 0 HA VAL A 20 0.064 7.995 1.254 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.088 9.300 3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.641 8.023 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.639 9.139 0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.258 7.401 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.718 6.981 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.334 6.358 2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.058 7.351 4.143 1.00 0.00 H new ATOM 326 N VAL A 21 0.136 10.070 -0.047 1.00 0.00 N ATOM 327 CA VAL A 21 0.198 11.315 -0.849 1.00 0.00 C ATOM 328 C VAL A 21 -1.108 11.421 -1.623 1.00 0.00 C ATOM 329 O VAL A 21 -1.589 12.492 -1.936 1.00 0.00 O ATOM 330 CB VAL A 21 1.401 11.104 -1.770 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.528 12.266 -2.753 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.672 11.018 -0.922 1.00 0.00 C ATOM 0 H VAL A 21 0.415 9.225 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 21 0.313 12.233 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 21 1.262 10.180 -2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.388 12.102 -3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.624 12.331 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.662 13.196 -2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.534 10.868 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.798 11.944 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.591 10.181 -0.228 1.00 0.00 H new ATOM 342 N LYS A 22 -1.703 10.291 -1.889 1.00 0.00 N ATOM 343 CA LYS A 22 -3.010 10.263 -2.593 1.00 0.00 C ATOM 344 C LYS A 22 -3.693 8.925 -2.314 1.00 0.00 C ATOM 345 O LYS A 22 -3.081 7.865 -2.387 1.00 0.00 O ATOM 346 CB LYS A 22 -2.713 10.431 -4.078 1.00 0.00 C ATOM 347 CG LYS A 22 -3.982 10.145 -4.882 1.00 0.00 C ATOM 348 CD LYS A 22 -3.598 9.503 -6.214 1.00 0.00 C ATOM 349 CE LYS A 22 -4.732 9.697 -7.223 1.00 0.00 C ATOM 350 NZ LYS A 22 -4.376 10.937 -7.968 1.00 0.00 N ATOM 0 H LYS A 22 -1.331 9.374 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.677 11.056 -2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.362 11.443 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.916 9.752 -4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.640 9.482 -4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.533 11.069 -5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.679 9.951 -6.594 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.400 8.440 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.813 8.842 -7.895 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.694 9.800 -6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.108 11.137 -8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.312 11.735 -7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.459 10.807 -8.441 1.00 0.00 H new ATOM 364 N GLU A 23 -4.953 8.983 -1.979 1.00 0.00 N ATOM 365 CA GLU A 23 -5.727 7.750 -1.655 1.00 0.00 C ATOM 366 C GLU A 23 -5.527 6.673 -2.717 1.00 0.00 C ATOM 367 O GLU A 23 -5.126 6.945 -3.831 1.00 0.00 O ATOM 368 CB GLU A 23 -7.186 8.202 -1.624 1.00 0.00 C ATOM 369 CG GLU A 23 -7.927 7.460 -0.510 1.00 0.00 C ATOM 370 CD GLU A 23 -9.170 8.256 -0.104 1.00 0.00 C ATOM 371 OE1 GLU A 23 -9.297 9.383 -0.551 1.00 0.00 O ATOM 372 OE2 GLU A 23 -9.971 7.724 0.645 1.00 0.00 O ATOM 0 H GLU A 23 -5.489 9.849 -1.915 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.405 7.310 -0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.241 9.278 -1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.660 8.003 -2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.215 6.465 -0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.271 7.326 0.350 1.00 0.00 H new ATOM 379 N ILE A 24 -5.810 5.448 -2.372 1.00 0.00 N ATOM 380 CA ILE A 24 -5.645 4.342 -3.351 1.00 0.00 C ATOM 381 C ILE A 24 -6.466 4.625 -4.611 1.00 0.00 C ATOM 382 O ILE A 24 -7.629 4.971 -4.550 1.00 0.00 O ATOM 383 CB ILE A 24 -6.153 3.082 -2.622 1.00 0.00 C ATOM 384 CG1 ILE A 24 -4.963 2.314 -2.048 1.00 0.00 C ATOM 385 CG2 ILE A 24 -6.901 2.158 -3.590 1.00 0.00 C ATOM 386 CD1 ILE A 24 -3.974 1.996 -3.173 1.00 0.00 C ATOM 0 H ILE A 24 -6.149 5.166 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.612 4.224 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.830 3.396 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.473 2.905 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.304 1.392 -1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.250 1.276 -3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.755 2.688 -4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.230 1.853 -4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.124 1.448 -2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.468 1.388 -3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.625 2.925 -3.624 1.00 0.00 H new ATOM 398 N ALA A 25 -5.868 4.452 -5.752 1.00 0.00 N ATOM 399 CA ALA A 25 -6.599 4.672 -7.023 1.00 0.00 C ATOM 400 C ALA A 25 -6.845 3.316 -7.676 1.00 0.00 C ATOM 401 O ALA A 25 -6.312 2.318 -7.245 1.00 0.00 O ATOM 402 CB ALA A 25 -5.664 5.528 -7.878 1.00 0.00 C ATOM 0 H ALA A 25 -4.895 4.165 -5.858 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.564 5.161 -6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.136 5.734 -8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.460 6.468 -7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.728 4.993 -8.041 1.00 0.00 H new ATOM 408 N GLU A 26 -7.644 3.249 -8.697 1.00 0.00 N ATOM 409 CA GLU A 26 -7.891 1.926 -9.330 1.00 0.00 C ATOM 410 C GLU A 26 -7.349 1.904 -10.757 1.00 0.00 C ATOM 411 O GLU A 26 -7.549 2.825 -11.525 1.00 0.00 O ATOM 412 CB GLU A 26 -9.407 1.753 -9.322 1.00 0.00 C ATOM 413 CG GLU A 26 -10.069 3.032 -9.832 1.00 0.00 C ATOM 414 CD GLU A 26 -10.626 3.826 -8.649 1.00 0.00 C ATOM 415 OE1 GLU A 26 -9.849 4.504 -7.998 1.00 0.00 O ATOM 416 OE2 GLU A 26 -11.821 3.743 -8.415 1.00 0.00 O ATOM 0 H GLU A 26 -8.132 4.040 -9.118 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.390 1.119 -8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.691 0.909 -9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.753 1.529 -8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.345 3.635 -10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.871 2.786 -10.528 1.00 0.00 H new ATOM 423 N THR A 27 -6.659 0.858 -11.115 1.00 0.00 N ATOM 424 CA THR A 27 -6.097 0.776 -12.492 1.00 0.00 C ATOM 425 C THR A 27 -7.076 0.054 -13.422 1.00 0.00 C ATOM 426 O THR A 27 -8.076 -0.483 -12.990 1.00 0.00 O ATOM 427 CB THR A 27 -4.801 -0.022 -12.340 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.114 -1.395 -12.160 1.00 0.00 O ATOM 429 CG2 THR A 27 -4.021 0.490 -11.127 1.00 0.00 C ATOM 0 H THR A 27 -6.460 0.057 -10.515 1.00 0.00 H new ATOM 0 HA THR A 27 -5.920 1.759 -12.928 1.00 0.00 H new ATOM 0 HB THR A 27 -4.192 0.099 -13.236 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.285 -1.912 -12.082 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.098 -0.080 -11.021 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.782 1.544 -11.267 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.626 0.371 -10.228 1.00 0.00 H new ATOM 437 N GLN A 28 -6.800 0.044 -14.699 1.00 0.00 N ATOM 438 CA GLN A 28 -7.721 -0.635 -15.658 1.00 0.00 C ATOM 439 C GLN A 28 -7.370 -2.122 -15.779 1.00 0.00 C ATOM 440 O GLN A 28 -7.626 -2.746 -16.789 1.00 0.00 O ATOM 441 CB GLN A 28 -7.496 0.076 -16.992 1.00 0.00 C ATOM 442 CG GLN A 28 -7.554 1.591 -16.780 1.00 0.00 C ATOM 443 CD GLN A 28 -8.998 2.013 -16.508 1.00 0.00 C ATOM 444 OE1 GLN A 28 -9.336 2.385 -15.401 1.00 0.00 O ATOM 445 NE2 GLN A 28 -9.871 1.973 -17.477 1.00 0.00 N ATOM 0 H GLN A 28 -5.977 0.476 -15.120 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.760 -0.582 -15.334 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.529 -0.207 -17.408 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.255 -0.230 -17.712 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.917 1.876 -15.943 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.173 2.107 -17.661 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.588 1.661 -18.406 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.836 2.254 -17.306 1.00 0.00 H new ATOM 454 N HIS A 29 -6.790 -2.693 -14.760 1.00 0.00 N ATOM 455 CA HIS A 29 -6.430 -4.139 -14.827 1.00 0.00 C ATOM 456 C HIS A 29 -6.944 -4.870 -13.583 1.00 0.00 C ATOM 457 O HIS A 29 -6.655 -6.030 -13.369 1.00 0.00 O ATOM 458 CB HIS A 29 -4.903 -4.166 -14.874 1.00 0.00 C ATOM 459 CG HIS A 29 -4.452 -4.567 -16.252 1.00 0.00 C ATOM 460 ND1 HIS A 29 -3.425 -3.913 -16.913 1.00 0.00 N ATOM 461 CD2 HIS A 29 -4.879 -5.554 -17.105 1.00 0.00 C ATOM 462 CE1 HIS A 29 -3.269 -4.509 -18.110 1.00 0.00 C ATOM 463 NE2 HIS A 29 -4.131 -5.515 -18.278 1.00 0.00 N ATOM 0 H HIS A 29 -6.550 -2.224 -13.887 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.872 -4.635 -15.691 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.503 -3.184 -14.620 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.518 -4.868 -14.135 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.674 -6.254 -16.897 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.536 -4.210 -18.845 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.222 -6.124 -19.091 1.00 0.00 H new ATOM 471 N GLY A 30 -7.702 -4.197 -12.761 1.00 0.00 N ATOM 472 CA GLY A 30 -8.230 -4.852 -11.531 1.00 0.00 C ATOM 473 C GLY A 30 -7.316 -4.524 -10.350 1.00 0.00 C ATOM 474 O GLY A 30 -7.485 -5.035 -9.260 1.00 0.00 O ATOM 0 H GLY A 30 -7.978 -3.223 -12.888 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.244 -4.506 -11.328 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.284 -5.931 -11.675 1.00 0.00 H new ATOM 478 N THR A 31 -6.346 -3.676 -10.558 1.00 0.00 N ATOM 479 CA THR A 31 -5.418 -3.315 -9.448 1.00 0.00 C ATOM 480 C THR A 31 -5.786 -1.952 -8.868 1.00 0.00 C ATOM 481 O THR A 31 -6.685 -1.281 -9.338 1.00 0.00 O ATOM 482 CB THR A 31 -4.029 -3.241 -10.090 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.141 -3.404 -11.497 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.146 -4.346 -9.517 1.00 0.00 C ATOM 0 H THR A 31 -6.156 -3.217 -11.449 1.00 0.00 H new ATOM 0 HA THR A 31 -5.463 -4.040 -8.635 1.00 0.00 H new ATOM 0 HB THR A 31 -3.583 -2.270 -9.876 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.251 -3.354 -11.904 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.157 -4.295 -9.973 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.056 -4.217 -8.438 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.594 -5.317 -9.730 1.00 0.00 H new ATOM 492 N ILE A 32 -5.072 -1.531 -7.868 1.00 0.00 N ATOM 493 CA ILE A 32 -5.335 -0.201 -7.260 1.00 0.00 C ATOM 494 C ILE A 32 -3.995 0.488 -7.062 1.00 0.00 C ATOM 495 O ILE A 32 -2.977 -0.156 -6.945 1.00 0.00 O ATOM 496 CB ILE A 32 -6.037 -0.425 -5.909 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.221 -1.919 -5.616 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.409 0.246 -5.952 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.408 -2.123 -4.112 1.00 0.00 C ATOM 0 H ILE A 32 -4.309 -2.056 -7.441 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.971 0.419 -7.892 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.418 0.004 -5.121 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.086 -2.303 -6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.353 -2.479 -5.965 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.918 0.095 -5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.286 1.314 -6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.003 -0.192 -6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.539 -3.185 -3.902 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.529 -1.754 -3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.289 -1.576 -3.777 1.00 0.00 H new ATOM 511 N VAL A 33 -3.973 1.781 -7.061 1.00 0.00 N ATOM 512 CA VAL A 33 -2.671 2.483 -6.920 1.00 0.00 C ATOM 513 C VAL A 33 -2.615 3.340 -5.658 1.00 0.00 C ATOM 514 O VAL A 33 -3.508 4.110 -5.376 1.00 0.00 O ATOM 515 CB VAL A 33 -2.607 3.356 -8.161 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.463 4.356 -8.024 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.385 2.468 -9.385 1.00 0.00 C ATOM 0 H VAL A 33 -4.791 2.384 -7.151 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.836 1.788 -6.831 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.542 3.904 -8.277 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.418 4.982 -8.915 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.631 4.983 -7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.522 3.819 -7.910 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.338 3.088 -10.280 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.449 1.921 -9.273 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.210 1.761 -9.476 1.00 0.00 H new ATOM 527 N ILE A 34 -1.555 3.225 -4.905 1.00 0.00 N ATOM 528 CA ILE A 34 -1.427 4.040 -3.678 1.00 0.00 C ATOM 529 C ILE A 34 -0.219 4.959 -3.787 1.00 0.00 C ATOM 530 O ILE A 34 0.900 4.515 -3.917 1.00 0.00 O ATOM 531 CB ILE A 34 -1.267 3.028 -2.537 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.057 3.539 -1.353 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.201 2.860 -2.128 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.350 4.752 -0.762 1.00 0.00 C ATOM 0 H ILE A 34 -0.773 2.598 -5.093 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.289 4.685 -3.511 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.629 2.056 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.067 3.808 -1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.153 2.757 -0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.272 2.135 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.779 2.507 -2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.597 3.819 -1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.917 5.123 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.349 4.467 -0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.278 5.535 -1.517 1.00 0.00 H new ATOM 546 N ARG A 35 -0.429 6.233 -3.716 1.00 0.00 N ATOM 547 CA ARG A 35 0.724 7.159 -3.801 1.00 0.00 C ATOM 548 C ARG A 35 1.047 7.644 -2.398 1.00 0.00 C ATOM 549 O ARG A 35 0.198 8.166 -1.701 1.00 0.00 O ATOM 550 CB ARG A 35 0.262 8.296 -4.705 1.00 0.00 C ATOM 551 CG ARG A 35 1.167 9.513 -4.514 1.00 0.00 C ATOM 552 CD ARG A 35 1.798 9.896 -5.852 1.00 0.00 C ATOM 553 NE ARG A 35 1.504 11.347 -6.015 1.00 0.00 N ATOM 554 CZ ARG A 35 1.738 11.940 -7.156 1.00 0.00 C ATOM 555 NH1 ARG A 35 2.229 11.264 -8.160 1.00 0.00 N ATOM 556 NH2 ARG A 35 1.481 13.212 -7.293 1.00 0.00 N ATOM 0 H ARG A 35 -1.342 6.674 -3.604 1.00 0.00 H new ATOM 0 HA ARG A 35 1.627 6.701 -4.204 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.284 7.976 -5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.770 8.560 -4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.590 10.350 -4.119 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.945 9.290 -3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.872 9.709 -5.850 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.374 9.313 -6.670 1.00 0.00 H new ATOM 0 HE ARG A 35 1.119 11.879 -5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.431 10.270 -8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.410 11.730 -9.049 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.098 13.742 -6.510 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.663 13.676 -8.183 1.00 0.00 H new ATOM 570 N VAL A 36 2.255 7.459 -1.960 1.00 0.00 N ATOM 571 CA VAL A 36 2.606 7.886 -0.598 1.00 0.00 C ATOM 572 C VAL A 36 4.047 8.315 -0.580 1.00 0.00 C ATOM 573 O VAL A 36 4.811 8.014 -1.465 1.00 0.00 O ATOM 574 CB VAL A 36 2.359 6.665 0.298 1.00 0.00 C ATOM 575 CG1 VAL A 36 1.139 5.890 -0.202 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.584 5.742 0.282 1.00 0.00 C ATOM 0 H VAL A 36 3.011 7.029 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 36 2.015 8.733 -0.248 1.00 0.00 H new ATOM 0 HB VAL A 36 2.180 7.011 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.970 5.025 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.262 6.537 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.314 5.555 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.398 4.879 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.772 5.405 -0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.454 6.285 0.651 1.00 0.00 H new ATOM 586 N GLN A 37 4.417 9.035 0.403 1.00 0.00 N ATOM 587 CA GLN A 37 5.796 9.517 0.474 1.00 0.00 C ATOM 588 C GLN A 37 6.534 8.748 1.562 1.00 0.00 C ATOM 589 O GLN A 37 6.114 8.717 2.701 1.00 0.00 O ATOM 590 CB GLN A 37 5.589 10.973 0.840 1.00 0.00 C ATOM 591 CG GLN A 37 6.923 11.715 0.864 1.00 0.00 C ATOM 592 CD GLN A 37 6.688 13.184 0.503 1.00 0.00 C ATOM 593 OE1 GLN A 37 6.494 14.054 1.457 1.00 0.00 O flip ATOM 594 NE2 GLN A 37 6.678 13.543 -0.657 1.00 0.00 N flip ATOM 0 H GLN A 37 3.816 9.318 1.177 1.00 0.00 H new ATOM 0 HA GLN A 37 6.390 9.391 -0.431 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.918 11.443 0.121 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.110 11.044 1.816 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.377 11.639 1.852 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.618 11.261 0.158 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.830 12.864 -1.402 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.518 14.524 -0.886 1.00 0.00 H new ATOM 603 N TYR A 38 7.612 8.104 1.229 1.00 0.00 N ATOM 604 CA TYR A 38 8.332 7.322 2.272 1.00 0.00 C ATOM 605 C TYR A 38 8.842 8.253 3.376 1.00 0.00 C ATOM 606 O TYR A 38 9.583 9.183 3.134 1.00 0.00 O ATOM 607 CB TYR A 38 9.488 6.630 1.553 1.00 0.00 C ATOM 608 CG TYR A 38 10.386 5.982 2.575 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.830 5.229 3.617 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.773 6.135 2.484 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.664 4.629 4.567 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.606 5.535 3.434 1.00 0.00 C ATOM 613 CZ TYR A 38 12.052 4.782 4.476 1.00 0.00 C ATOM 614 OH TYR A 38 12.873 4.190 5.414 1.00 0.00 O ATOM 0 H TYR A 38 8.023 8.082 0.296 1.00 0.00 H new ATOM 0 HA TYR A 38 7.682 6.593 2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.105 5.881 0.860 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.051 7.353 0.962 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.759 5.112 3.687 1.00 0.00 H new ATOM 0 HD2 TYR A 38 12.201 6.716 1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.236 4.048 5.371 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.677 5.653 3.364 1.00 0.00 H new ATOM 0 HH TYR A 38 13.116 3.289 5.114 1.00 0.00 H new ATOM 624 N GLU A 39 8.439 8.008 4.588 1.00 0.00 N ATOM 625 CA GLU A 39 8.883 8.871 5.719 1.00 0.00 C ATOM 626 C GLU A 39 9.726 8.057 6.698 1.00 0.00 C ATOM 627 O GLU A 39 9.205 7.347 7.533 1.00 0.00 O ATOM 628 CB GLU A 39 7.591 9.321 6.396 1.00 0.00 C ATOM 629 CG GLU A 39 7.086 10.605 5.735 1.00 0.00 C ATOM 630 CD GLU A 39 7.745 11.815 6.401 1.00 0.00 C ATOM 631 OE1 GLU A 39 8.948 11.960 6.261 1.00 0.00 O ATOM 632 OE2 GLU A 39 7.035 12.576 7.037 1.00 0.00 O ATOM 0 H GLU A 39 7.817 7.243 4.848 1.00 0.00 H new ATOM 0 HA GLU A 39 9.492 9.711 5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.836 8.539 6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.765 9.491 7.458 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.316 10.593 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.002 10.672 5.826 1.00 0.00 H new ATOM 639 N GLY A 40 11.021 8.147 6.609 1.00 0.00 N ATOM 640 CA GLY A 40 11.870 7.365 7.545 1.00 0.00 C ATOM 641 C GLY A 40 13.277 7.223 6.980 1.00 0.00 C ATOM 642 O GLY A 40 13.749 8.053 6.229 1.00 0.00 O ATOM 0 H GLY A 40 11.525 8.723 5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.907 7.861 8.515 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.434 6.379 7.707 1.00 0.00 H new ATOM 646 N ASP A 41 13.946 6.167 7.339 1.00 0.00 N ATOM 647 CA ASP A 41 15.329 5.951 6.829 1.00 0.00 C ATOM 648 C ASP A 41 15.328 4.850 5.769 1.00 0.00 C ATOM 649 O ASP A 41 15.189 3.683 6.075 1.00 0.00 O ATOM 650 CB ASP A 41 16.143 5.524 8.051 1.00 0.00 C ATOM 651 CG ASP A 41 15.929 6.530 9.183 1.00 0.00 C ATOM 652 OD1 ASP A 41 14.805 6.646 9.642 1.00 0.00 O ATOM 653 OD2 ASP A 41 16.894 7.167 9.572 1.00 0.00 O ATOM 0 H ASP A 41 13.596 5.441 7.965 1.00 0.00 H new ATOM 0 HA ASP A 41 15.743 6.844 6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.840 4.528 8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.201 5.468 7.795 1.00 0.00 H new ATOM 658 N GLY A 42 15.477 5.209 4.524 1.00 0.00 N ATOM 659 CA GLY A 42 15.476 4.172 3.456 1.00 0.00 C ATOM 660 C GLY A 42 16.018 4.752 2.150 1.00 0.00 C ATOM 661 O GLY A 42 16.766 4.104 1.447 1.00 0.00 O ATOM 0 H GLY A 42 15.599 6.169 4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.085 3.322 3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.463 3.799 3.303 1.00 0.00 H new ATOM 665 N SER A 43 15.647 5.958 1.803 1.00 0.00 N ATOM 666 CA SER A 43 16.160 6.524 0.528 1.00 0.00 C ATOM 667 C SER A 43 15.935 5.469 -0.570 1.00 0.00 C ATOM 668 O SER A 43 15.006 4.701 -0.454 1.00 0.00 O ATOM 669 CB SER A 43 17.636 6.770 0.827 1.00 0.00 C ATOM 670 OG SER A 43 18.103 7.876 0.066 1.00 0.00 O ATOM 0 H SER A 43 15.023 6.562 2.338 1.00 0.00 H new ATOM 0 HA SER A 43 15.679 7.439 0.184 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.774 6.965 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.218 5.880 0.588 1.00 0.00 H new ATOM 0 HG SER A 43 17.432 8.591 0.082 1.00 0.00 H new ATOM 676 N PRO A 44 16.767 5.425 -1.592 1.00 0.00 N ATOM 677 CA PRO A 44 16.569 4.399 -2.641 1.00 0.00 C ATOM 678 C PRO A 44 16.360 3.045 -1.960 1.00 0.00 C ATOM 679 O PRO A 44 17.297 2.346 -1.629 1.00 0.00 O ATOM 680 CB PRO A 44 17.862 4.442 -3.448 1.00 0.00 C ATOM 681 CG PRO A 44 18.401 5.820 -3.231 1.00 0.00 C ATOM 682 CD PRO A 44 17.923 6.280 -1.877 1.00 0.00 C ATOM 0 HA PRO A 44 15.703 4.567 -3.281 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.567 3.683 -3.107 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.675 4.252 -4.505 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.490 5.818 -3.274 1.00 0.00 H new ATOM 0 HG3 PRO A 44 18.053 6.496 -4.012 1.00 0.00 H new ATOM 0 HD2 PRO A 44 18.699 6.165 -1.121 1.00 0.00 H new ATOM 0 HD3 PRO A 44 17.645 7.334 -1.890 1.00 0.00 H new ATOM 690 N CYS A 45 15.128 2.700 -1.713 1.00 0.00 N ATOM 691 CA CYS A 45 14.821 1.424 -1.009 1.00 0.00 C ATOM 692 C CYS A 45 13.416 0.947 -1.407 1.00 0.00 C ATOM 693 O CYS A 45 12.703 1.632 -2.105 1.00 0.00 O ATOM 694 CB CYS A 45 14.925 1.810 0.479 1.00 0.00 C ATOM 695 SG CYS A 45 13.647 1.000 1.478 1.00 0.00 S ATOM 0 H CYS A 45 14.311 3.254 -1.972 1.00 0.00 H new ATOM 0 HA CYS A 45 15.487 0.596 -1.252 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.910 1.536 0.857 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.834 2.891 0.581 1.00 0.00 H new ATOM 700 N LYS A 46 13.023 -0.224 -0.977 1.00 0.00 N ATOM 701 CA LYS A 46 11.673 -0.749 -1.355 1.00 0.00 C ATOM 702 C LYS A 46 10.583 -0.236 -0.408 1.00 0.00 C ATOM 703 O LYS A 46 10.854 0.453 0.550 1.00 0.00 O ATOM 704 CB LYS A 46 11.809 -2.268 -1.247 1.00 0.00 C ATOM 705 CG LYS A 46 12.207 -2.849 -2.605 1.00 0.00 C ATOM 706 CD LYS A 46 11.937 -4.354 -2.617 1.00 0.00 C ATOM 707 CE LYS A 46 11.476 -4.780 -4.012 1.00 0.00 C ATOM 708 NZ LYS A 46 12.733 -5.013 -4.778 1.00 0.00 N ATOM 0 H LYS A 46 13.576 -0.840 -0.381 1.00 0.00 H new ATOM 0 HA LYS A 46 11.377 -0.423 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.559 -2.523 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.867 -2.704 -0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.643 -2.362 -3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.262 -2.657 -2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.840 -4.898 -2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.175 -4.603 -1.879 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.867 -5.683 -3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.866 -4.007 -4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.534 -4.957 -5.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.435 -4.289 -4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.109 -5.956 -4.550 1.00 0.00 H new ATOM 722 N ILE A 47 9.341 -0.546 -0.698 1.00 0.00 N ATOM 723 CA ILE A 47 8.220 -0.052 0.156 1.00 0.00 C ATOM 724 C ILE A 47 7.365 -1.204 0.703 1.00 0.00 C ATOM 725 O ILE A 47 6.904 -2.045 -0.041 1.00 0.00 O ATOM 726 CB ILE A 47 7.391 0.801 -0.792 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.324 1.738 -1.553 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.381 1.619 0.013 1.00 0.00 C ATOM 729 CD1 ILE A 47 8.872 2.779 -0.587 1.00 0.00 C ATOM 0 H ILE A 47 9.058 -1.121 -1.491 1.00 0.00 H new ATOM 0 HA ILE A 47 8.585 0.489 1.029 1.00 0.00 H new ATOM 0 HB ILE A 47 6.855 0.165 -1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.141 1.173 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.787 2.225 -2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.786 2.231 -0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.725 0.946 0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.911 2.264 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.541 3.454 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.047 3.348 -0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.422 2.281 0.212 1.00 0.00 H new ATOM 741 N PRO A 48 7.167 -1.184 1.995 1.00 0.00 N ATOM 742 CA PRO A 48 6.339 -2.221 2.674 1.00 0.00 C ATOM 743 C PRO A 48 4.882 -2.168 2.198 1.00 0.00 C ATOM 744 O PRO A 48 4.344 -1.114 1.923 1.00 0.00 O ATOM 745 CB PRO A 48 6.412 -1.827 4.147 1.00 0.00 C ATOM 746 CG PRO A 48 7.616 -0.952 4.253 1.00 0.00 C ATOM 747 CD PRO A 48 7.693 -0.210 2.953 1.00 0.00 C ATOM 0 HA PRO A 48 6.693 -3.231 2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.511 -1.299 4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.504 -2.705 4.786 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.527 -0.263 5.093 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.516 -1.543 4.420 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.097 0.702 2.972 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.715 0.082 2.713 1.00 0.00 H new ATOM 755 N PHE A 49 4.242 -3.303 2.107 1.00 0.00 N ATOM 756 CA PHE A 49 2.825 -3.335 1.658 1.00 0.00 C ATOM 757 C PHE A 49 2.123 -4.592 2.189 1.00 0.00 C ATOM 758 O PHE A 49 2.726 -5.640 2.311 1.00 0.00 O ATOM 759 CB PHE A 49 2.926 -3.407 0.147 1.00 0.00 C ATOM 760 CG PHE A 49 1.665 -2.847 -0.471 1.00 0.00 C ATOM 761 CD1 PHE A 49 1.553 -1.472 -0.705 1.00 0.00 C ATOM 762 CD2 PHE A 49 0.604 -3.700 -0.801 1.00 0.00 C ATOM 763 CE1 PHE A 49 0.384 -0.949 -1.270 1.00 0.00 C ATOM 764 CE2 PHE A 49 -0.566 -3.176 -1.366 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.675 -1.801 -1.600 1.00 0.00 C ATOM 0 H PHE A 49 4.645 -4.214 2.327 1.00 0.00 H new ATOM 0 HA PHE A 49 2.254 -2.477 2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.793 -2.844 -0.197 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.071 -4.440 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.370 -0.813 -0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.688 -4.761 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.300 0.112 -1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.384 -3.834 -1.621 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.577 -1.397 -2.036 1.00 0.00 H new ATOM 775 N GLU A 50 0.856 -4.504 2.499 1.00 0.00 N ATOM 776 CA GLU A 50 0.135 -5.700 3.011 1.00 0.00 C ATOM 777 C GLU A 50 -1.372 -5.560 2.766 1.00 0.00 C ATOM 778 O GLU A 50 -2.036 -4.741 3.367 1.00 0.00 O ATOM 779 CB GLU A 50 0.437 -5.771 4.516 1.00 0.00 C ATOM 780 CG GLU A 50 0.966 -4.434 5.052 1.00 0.00 C ATOM 781 CD GLU A 50 2.493 -4.421 4.973 1.00 0.00 C ATOM 782 OE1 GLU A 50 3.079 -5.489 5.048 1.00 0.00 O ATOM 783 OE2 GLU A 50 3.052 -3.345 4.838 1.00 0.00 O ATOM 0 H GLU A 50 0.293 -3.657 2.419 1.00 0.00 H new ATOM 0 HA GLU A 50 0.458 -6.608 2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.469 -6.047 5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.171 -6.554 4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.554 -3.609 4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.643 -4.290 6.083 1.00 0.00 H new ATOM 790 N ILE A 51 -1.916 -6.358 1.887 1.00 0.00 N ATOM 791 CA ILE A 51 -3.380 -6.273 1.605 1.00 0.00 C ATOM 792 C ILE A 51 -4.134 -7.356 2.381 1.00 0.00 C ATOM 793 O ILE A 51 -4.841 -8.163 1.811 1.00 0.00 O ATOM 794 CB ILE A 51 -3.509 -6.502 0.097 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.460 -5.662 -0.636 1.00 0.00 C ATOM 796 CG2 ILE A 51 -4.907 -6.085 -0.364 1.00 0.00 C ATOM 797 CD1 ILE A 51 -2.763 -5.660 -2.135 1.00 0.00 C ATOM 0 H ILE A 51 -1.411 -7.065 1.352 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.803 -5.315 1.908 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.352 -7.557 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.463 -4.642 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.464 -6.067 -0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.000 -6.248 -1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.655 -6.680 0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.063 -5.029 -0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.016 -5.062 -2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.738 -6.682 -2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.752 -5.235 -2.306 1.00 0.00 H new ATOM 970 N GLY A 61 -4.483 -11.078 -2.360 1.00 0.00 N ATOM 971 CA GLY A 61 -4.211 -9.812 -3.098 1.00 0.00 C ATOM 972 C GLY A 61 -2.850 -9.908 -3.787 1.00 0.00 C ATOM 973 O GLY A 61 -2.018 -10.718 -3.429 1.00 0.00 O ATOM 0 HA2 GLY A 61 -4.993 -9.633 -3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.224 -8.967 -2.410 1.00 0.00 H new ATOM 977 N ARG A 62 -2.616 -9.089 -4.773 1.00 0.00 N ATOM 978 CA ARG A 62 -1.307 -9.136 -5.485 1.00 0.00 C ATOM 979 C ARG A 62 -0.695 -7.742 -5.565 1.00 0.00 C ATOM 980 O ARG A 62 -1.368 -6.745 -5.397 1.00 0.00 O ATOM 981 CB ARG A 62 -1.634 -9.643 -6.889 1.00 0.00 C ATOM 982 CG ARG A 62 -0.680 -10.779 -7.254 1.00 0.00 C ATOM 983 CD ARG A 62 0.311 -10.295 -8.314 1.00 0.00 C ATOM 984 NE ARG A 62 -0.400 -10.466 -9.612 1.00 0.00 N ATOM 985 CZ ARG A 62 0.212 -10.201 -10.736 1.00 0.00 C ATOM 986 NH1 ARG A 62 1.450 -9.785 -10.727 1.00 0.00 N ATOM 987 NH2 ARG A 62 -0.414 -10.352 -11.870 1.00 0.00 N ATOM 0 H ARG A 62 -3.273 -8.389 -5.117 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.589 -9.775 -4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.666 -9.993 -6.930 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.543 -8.831 -7.611 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.144 -11.116 -6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.243 -11.633 -7.630 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.588 -9.254 -8.150 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.232 -10.877 -8.289 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.367 -10.791 -9.623 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.942 -9.666 -9.841 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.925 -9.579 -11.606 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.381 -10.677 -11.880 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.063 -10.145 -12.747 1.00 0.00 H new ATOM 1001 N LEU A 63 0.576 -7.666 -5.831 1.00 0.00 N ATOM 1002 CA LEU A 63 1.229 -6.340 -5.937 1.00 0.00 C ATOM 1003 C LEU A 63 1.923 -6.217 -7.293 1.00 0.00 C ATOM 1004 O LEU A 63 2.892 -6.894 -7.568 1.00 0.00 O ATOM 1005 CB LEU A 63 2.249 -6.300 -4.801 1.00 0.00 C ATOM 1006 CG LEU A 63 2.245 -4.913 -4.166 1.00 0.00 C ATOM 1007 CD1 LEU A 63 2.367 -3.859 -5.263 1.00 0.00 C ATOM 1008 CD2 LEU A 63 0.935 -4.706 -3.407 1.00 0.00 C ATOM 0 H LEU A 63 1.190 -8.467 -5.979 1.00 0.00 H new ATOM 0 HA LEU A 63 0.518 -5.517 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.007 -7.055 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.243 -6.535 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 63 3.083 -4.823 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.365 -2.865 -4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.298 -4.008 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.525 -3.949 -5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.930 -3.715 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.097 -4.792 -4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.842 -5.463 -2.628 1.00 0.00 H new ATOM 1020 N ILE A 64 1.441 -5.353 -8.138 1.00 0.00 N ATOM 1021 CA ILE A 64 2.086 -5.182 -9.470 1.00 0.00 C ATOM 1022 C ILE A 64 3.409 -4.467 -9.270 1.00 0.00 C ATOM 1023 O ILE A 64 4.349 -4.615 -10.026 1.00 0.00 O ATOM 1024 CB ILE A 64 1.117 -4.308 -10.262 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.303 -4.874 -10.150 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.541 -4.271 -11.729 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -0.269 -6.401 -10.256 1.00 0.00 C ATOM 0 H ILE A 64 0.630 -4.758 -7.966 1.00 0.00 H new ATOM 0 HA ILE A 64 2.284 -6.123 -9.983 1.00 0.00 H new ATOM 0 HB ILE A 64 1.133 -3.297 -9.856 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.748 -4.577 -9.200 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.931 -4.461 -10.939 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.848 -3.646 -12.292 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.547 -3.858 -11.807 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.531 -5.282 -12.136 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.282 -6.794 -10.175 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.157 -6.690 -11.217 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.343 -6.808 -9.451 1.00 0.00 H new ATOM 1039 N THR A 65 3.471 -3.695 -8.232 1.00 0.00 N ATOM 1040 CA THR A 65 4.704 -2.944 -7.909 1.00 0.00 C ATOM 1041 C THR A 65 5.333 -3.575 -6.659 1.00 0.00 C ATOM 1042 O THR A 65 5.956 -2.920 -5.850 1.00 0.00 O ATOM 1043 CB THR A 65 4.182 -1.508 -7.702 1.00 0.00 C ATOM 1044 OG1 THR A 65 4.524 -0.721 -8.833 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.766 -0.861 -6.450 1.00 0.00 C ATOM 0 H THR A 65 2.701 -3.550 -7.579 1.00 0.00 H new ATOM 0 HA THR A 65 5.491 -2.957 -8.663 1.00 0.00 H new ATOM 0 HB THR A 65 3.100 -1.561 -7.578 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.193 0.193 -8.708 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.371 0.149 -6.344 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.493 -1.451 -5.575 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.852 -0.819 -6.535 1.00 0.00 H new ATOM 1053 N VAL A 66 5.153 -4.871 -6.529 1.00 0.00 N ATOM 1054 CA VAL A 66 5.697 -5.647 -5.361 1.00 0.00 C ATOM 1055 C VAL A 66 6.745 -4.854 -4.594 1.00 0.00 C ATOM 1056 O VAL A 66 7.827 -4.595 -5.084 1.00 0.00 O ATOM 1057 CB VAL A 66 6.332 -6.895 -5.971 1.00 0.00 C ATOM 1058 CG1 VAL A 66 7.233 -7.575 -4.935 1.00 0.00 C ATOM 1059 CG2 VAL A 66 5.234 -7.868 -6.404 1.00 0.00 C ATOM 0 H VAL A 66 4.638 -5.439 -7.202 1.00 0.00 H new ATOM 0 HA VAL A 66 4.907 -5.881 -4.647 1.00 0.00 H new ATOM 0 HB VAL A 66 6.928 -6.608 -6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.684 -8.465 -5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.018 -6.885 -4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.639 -7.860 -4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.688 -8.758 -6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.637 -8.152 -5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.594 -7.388 -7.144 1.00 0.00 H new ATOM 1069 N ASN A 67 6.434 -4.472 -3.394 1.00 0.00 N ATOM 1070 CA ASN A 67 7.413 -3.701 -2.597 1.00 0.00 C ATOM 1071 C ASN A 67 8.044 -2.612 -3.468 1.00 0.00 C ATOM 1072 O ASN A 67 9.210 -2.683 -3.804 1.00 0.00 O ATOM 1073 CB ASN A 67 8.455 -4.734 -2.164 1.00 0.00 C ATOM 1074 CG ASN A 67 9.104 -4.288 -0.853 1.00 0.00 C ATOM 1075 OD1 ASN A 67 8.903 -3.174 -0.410 1.00 0.00 O ATOM 1076 ND2 ASN A 67 9.877 -5.117 -0.206 1.00 0.00 N ATOM 0 H ASN A 67 5.545 -4.661 -2.932 1.00 0.00 H new ATOM 0 HA ASN A 67 6.965 -3.197 -1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.984 -5.709 -2.036 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.214 -4.846 -2.938 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.312 -4.830 0.671 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.046 -6.052 -0.577 1.00 0.00 H new ATOM 1083 N PRO A 68 7.238 -1.641 -3.809 1.00 0.00 N ATOM 1084 CA PRO A 68 7.712 -0.522 -4.652 1.00 0.00 C ATOM 1085 C PRO A 68 9.019 0.022 -4.087 1.00 0.00 C ATOM 1086 O PRO A 68 9.534 -0.496 -3.119 1.00 0.00 O ATOM 1087 CB PRO A 68 6.600 0.525 -4.575 1.00 0.00 C ATOM 1088 CG PRO A 68 5.501 -0.066 -3.736 1.00 0.00 C ATOM 1089 CD PRO A 68 5.834 -1.504 -3.438 1.00 0.00 C ATOM 0 HA PRO A 68 7.910 -0.818 -5.682 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.970 1.449 -4.131 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.234 0.774 -5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.392 0.496 -2.808 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.549 -0.001 -4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.678 -1.737 -2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.204 -2.184 -4.012 1.00 0.00 H new ATOM 1097 N ILE A 69 9.574 1.044 -4.681 1.00 0.00 N ATOM 1098 CA ILE A 69 10.865 1.570 -4.156 1.00 0.00 C ATOM 1099 C ILE A 69 10.926 3.099 -4.194 1.00 0.00 C ATOM 1100 O ILE A 69 10.544 3.725 -5.164 1.00 0.00 O ATOM 1101 CB ILE A 69 11.926 1.007 -5.101 1.00 0.00 C ATOM 1102 CG1 ILE A 69 11.958 -0.533 -4.982 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.292 1.627 -4.763 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.304 -1.025 -4.428 1.00 0.00 C ATOM 0 H ILE A 69 9.196 1.530 -5.494 1.00 0.00 H new ATOM 0 HA ILE A 69 11.004 1.280 -3.115 1.00 0.00 H new ATOM 0 HB ILE A 69 11.684 1.261 -6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.151 -0.866 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.781 -0.979 -5.961 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.050 1.226 -5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.239 2.709 -4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.557 1.385 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.293 -2.113 -4.357 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.108 -0.713 -5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.468 -0.599 -3.438 1.00 0.00 H new ATOM 1116 N VAL A 70 11.467 3.700 -3.166 1.00 0.00 N ATOM 1117 CA VAL A 70 11.624 5.185 -3.171 1.00 0.00 C ATOM 1118 C VAL A 70 13.011 5.492 -3.731 1.00 0.00 C ATOM 1119 O VAL A 70 13.797 4.592 -3.949 1.00 0.00 O ATOM 1120 CB VAL A 70 11.524 5.633 -1.707 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.598 7.159 -1.627 1.00 0.00 C ATOM 1122 CG2 VAL A 70 10.190 5.177 -1.119 1.00 0.00 C ATOM 0 H VAL A 70 11.805 3.229 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 70 10.872 5.696 -3.773 1.00 0.00 H new ATOM 0 HB VAL A 70 12.348 5.192 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.527 7.473 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.546 7.500 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.775 7.593 -2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.122 5.497 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.372 5.618 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.123 4.090 -1.169 1.00 0.00 H new ATOM 1132 N THR A 71 13.332 6.730 -3.974 1.00 0.00 N ATOM 1133 CA THR A 71 14.686 7.029 -4.524 1.00 0.00 C ATOM 1134 C THR A 71 15.448 7.987 -3.610 1.00 0.00 C ATOM 1135 O THR A 71 16.661 8.031 -3.620 1.00 0.00 O ATOM 1136 CB THR A 71 14.442 7.675 -5.885 1.00 0.00 C ATOM 1137 OG1 THR A 71 13.548 6.869 -6.639 1.00 0.00 O ATOM 1138 CG2 THR A 71 15.776 7.797 -6.622 1.00 0.00 C ATOM 0 H THR A 71 12.729 7.538 -3.820 1.00 0.00 H new ATOM 0 HA THR A 71 15.291 6.126 -4.604 1.00 0.00 H new ATOM 0 HB THR A 71 14.004 8.665 -5.753 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.390 7.285 -7.512 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.613 8.258 -7.596 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.459 8.415 -6.039 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.209 6.806 -6.757 1.00 0.00 H new ATOM 1146 N GLU A 72 14.755 8.761 -2.825 1.00 0.00 N ATOM 1147 CA GLU A 72 15.462 9.711 -1.923 1.00 0.00 C ATOM 1148 C GLU A 72 14.929 9.575 -0.499 1.00 0.00 C ATOM 1149 O GLU A 72 15.683 9.502 0.451 1.00 0.00 O ATOM 1150 CB GLU A 72 15.144 11.103 -2.477 1.00 0.00 C ATOM 1151 CG GLU A 72 15.425 11.147 -3.980 1.00 0.00 C ATOM 1152 CD GLU A 72 16.873 11.581 -4.217 1.00 0.00 C ATOM 1153 OE1 GLU A 72 17.761 10.794 -3.930 1.00 0.00 O ATOM 1154 OE2 GLU A 72 17.071 12.691 -4.683 1.00 0.00 O ATOM 0 H GLU A 72 13.737 8.778 -2.768 1.00 0.00 H new ATOM 0 HA GLU A 72 16.535 9.522 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.099 11.349 -2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.746 11.853 -1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.252 10.166 -4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.742 11.842 -4.468 1.00 0.00 H new ATOM 1161 N LYS A 73 13.629 9.547 -0.364 1.00 0.00 N ATOM 1162 CA LYS A 73 12.970 9.420 0.974 1.00 0.00 C ATOM 1163 C LYS A 73 11.567 10.010 0.885 1.00 0.00 C ATOM 1164 O LYS A 73 10.583 9.332 1.083 1.00 0.00 O ATOM 1165 CB LYS A 73 13.824 10.229 1.964 1.00 0.00 C ATOM 1166 CG LYS A 73 12.995 10.587 3.200 1.00 0.00 C ATOM 1167 CD LYS A 73 12.640 12.074 3.162 1.00 0.00 C ATOM 1168 CE LYS A 73 12.961 12.712 4.515 1.00 0.00 C ATOM 1169 NZ LYS A 73 12.323 14.056 4.468 1.00 0.00 N ATOM 0 H LYS A 73 12.977 9.608 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 73 12.891 8.381 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.700 9.651 2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.188 11.138 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.086 9.986 3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.556 10.359 4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.201 12.572 2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.582 12.200 2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.565 12.115 5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.037 12.791 4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.500 14.556 5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.725 14.604 3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.298 13.949 4.328 1.00 0.00 H new ATOM 1183 N ASP A 74 11.467 11.270 0.585 1.00 0.00 N ATOM 1184 CA ASP A 74 10.126 11.899 0.486 1.00 0.00 C ATOM 1185 C ASP A 74 9.587 11.781 -0.939 1.00 0.00 C ATOM 1186 O ASP A 74 8.611 12.410 -1.290 1.00 0.00 O ATOM 1187 CB ASP A 74 10.353 13.362 0.866 1.00 0.00 C ATOM 1188 CG ASP A 74 9.149 13.883 1.653 1.00 0.00 C ATOM 1189 OD1 ASP A 74 8.664 13.157 2.504 1.00 0.00 O ATOM 1190 OD2 ASP A 74 8.734 14.999 1.391 1.00 0.00 O ATOM 0 H ASP A 74 12.255 11.892 0.404 1.00 0.00 H new ATOM 0 HA ASP A 74 9.392 11.420 1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.259 13.456 1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.500 13.962 -0.032 1.00 0.00 H new ATOM 1195 N SER A 75 10.197 10.969 -1.758 1.00 0.00 N ATOM 1196 CA SER A 75 9.684 10.809 -3.146 1.00 0.00 C ATOM 1197 C SER A 75 8.384 10.003 -3.102 1.00 0.00 C ATOM 1198 O SER A 75 8.399 8.820 -2.822 1.00 0.00 O ATOM 1199 CB SER A 75 10.777 10.039 -3.889 1.00 0.00 C ATOM 1200 OG SER A 75 10.368 9.823 -5.234 1.00 0.00 O ATOM 0 H SER A 75 11.021 10.414 -1.528 1.00 0.00 H new ATOM 0 HA SER A 75 9.468 11.759 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.712 10.599 -3.867 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.965 9.085 -3.396 1.00 0.00 H new ATOM 0 HG SER A 75 11.067 9.331 -5.713 1.00 0.00 H new ATOM 1206 N PRO A 76 7.295 10.675 -3.360 1.00 0.00 N ATOM 1207 CA PRO A 76 5.968 10.013 -3.322 1.00 0.00 C ATOM 1208 C PRO A 76 5.937 8.821 -4.281 1.00 0.00 C ATOM 1209 O PRO A 76 6.018 8.974 -5.483 1.00 0.00 O ATOM 1210 CB PRO A 76 4.989 11.100 -3.772 1.00 0.00 C ATOM 1211 CG PRO A 76 5.830 12.201 -4.341 1.00 0.00 C ATOM 1212 CD PRO A 76 7.192 12.092 -3.713 1.00 0.00 C ATOM 0 HA PRO A 76 5.723 9.619 -2.335 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.294 10.715 -4.518 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.391 11.458 -2.934 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.898 12.112 -5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.385 13.173 -4.129 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.978 12.391 -4.406 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.281 12.732 -2.835 1.00 0.00 H new ATOM 1220 N VAL A 77 5.821 7.634 -3.754 1.00 0.00 N ATOM 1221 CA VAL A 77 5.786 6.425 -4.630 1.00 0.00 C ATOM 1222 C VAL A 77 4.354 5.896 -4.777 1.00 0.00 C ATOM 1223 O VAL A 77 3.545 6.004 -3.877 1.00 0.00 O ATOM 1224 CB VAL A 77 6.661 5.401 -3.928 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.695 4.128 -4.767 1.00 0.00 C ATOM 1226 CG2 VAL A 77 8.075 5.964 -3.802 1.00 0.00 C ATOM 0 H VAL A 77 5.749 7.447 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 77 6.139 6.646 -5.637 1.00 0.00 H new ATOM 0 HB VAL A 77 6.264 5.179 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.320 3.384 -4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.683 3.737 -4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.106 4.352 -5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.713 5.237 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.474 6.171 -4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.049 6.886 -3.222 1.00 0.00 H new ATOM 1236 N ASN A 78 4.039 5.322 -5.909 1.00 0.00 N ATOM 1237 CA ASN A 78 2.667 4.778 -6.126 1.00 0.00 C ATOM 1238 C ASN A 78 2.695 3.248 -6.065 1.00 0.00 C ATOM 1239 O ASN A 78 3.594 2.632 -6.603 1.00 0.00 O ATOM 1240 CB ASN A 78 2.293 5.223 -7.537 1.00 0.00 C ATOM 1241 CG ASN A 78 2.663 6.694 -7.732 1.00 0.00 C ATOM 1242 OD1 ASN A 78 3.078 7.360 -6.803 1.00 0.00 O ATOM 1243 ND2 ASN A 78 2.526 7.235 -8.911 1.00 0.00 N ATOM 0 H ASN A 78 4.677 5.207 -6.696 1.00 0.00 H new ATOM 0 HA ASN A 78 1.961 5.127 -5.373 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.812 4.608 -8.272 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.225 5.082 -7.701 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.767 8.216 -9.053 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.178 6.677 -9.691 1.00 0.00 H new ATOM 1250 N ILE A 79 1.739 2.606 -5.434 1.00 0.00 N ATOM 1251 CA ILE A 79 1.802 1.115 -5.408 1.00 0.00 C ATOM 1252 C ILE A 79 0.590 0.493 -6.102 1.00 0.00 C ATOM 1253 O ILE A 79 -0.543 0.684 -5.708 1.00 0.00 O ATOM 1254 CB ILE A 79 1.848 0.725 -3.937 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.944 1.544 -3.234 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.167 -0.770 -3.844 1.00 0.00 C ATOM 1257 CD1 ILE A 79 3.304 0.897 -1.895 1.00 0.00 C ATOM 0 H ILE A 79 0.947 3.033 -4.953 1.00 0.00 H new ATOM 0 HA ILE A 79 2.677 0.750 -5.946 1.00 0.00 H new ATOM 0 HB ILE A 79 0.891 0.927 -3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.829 1.603 -3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.599 2.565 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.204 -1.070 -2.797 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.392 -1.340 -4.357 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.132 -0.966 -4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.081 1.484 -1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.420 0.861 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.668 -0.116 -2.067 1.00 0.00 H new ATOM 1269 N GLU A 80 0.845 -0.261 -7.134 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.250 -0.930 -7.888 1.00 0.00 C ATOM 1271 C GLU A 80 -0.453 -2.349 -7.345 1.00 0.00 C ATOM 1272 O GLU A 80 0.385 -3.210 -7.523 1.00 0.00 O ATOM 1273 CB GLU A 80 0.250 -0.975 -9.332 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.766 -1.714 -10.202 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.413 -0.738 -11.186 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -1.055 0.427 -11.158 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -2.253 -1.175 -11.955 1.00 0.00 O ATOM 0 H GLU A 80 1.782 -0.445 -7.492 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.205 -0.411 -7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.398 0.037 -9.708 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.217 -1.477 -9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.274 -2.520 -10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.530 -2.172 -9.575 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.547 -2.601 -6.678 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.768 -3.968 -6.122 1.00 0.00 C ATOM 1286 C ALA A 81 -3.094 -4.554 -6.616 1.00 0.00 C ATOM 1287 O ALA A 81 -4.055 -3.846 -6.842 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.786 -3.781 -4.602 1.00 0.00 C ATOM 0 H ALA A 81 -2.291 -1.927 -6.495 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.992 -4.665 -6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.945 -4.745 -4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.833 -3.364 -4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.593 -3.101 -4.329 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.142 -5.848 -6.787 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.394 -6.497 -7.272 1.00 0.00 C ATOM 1296 C GLU A 82 -5.072 -7.274 -6.140 1.00 0.00 C ATOM 1297 O GLU A 82 -4.745 -8.417 -5.889 1.00 0.00 O ATOM 1298 CB GLU A 82 -3.934 -7.456 -8.369 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.138 -8.223 -8.917 1.00 0.00 C ATOM 1300 CD GLU A 82 -4.813 -8.754 -10.314 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -3.754 -9.339 -10.473 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -5.630 -8.569 -11.202 1.00 0.00 O ATOM 0 H GLU A 82 -2.365 -6.485 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.120 -5.769 -7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.448 -6.901 -9.171 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.196 -8.153 -7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.389 -9.049 -8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.010 -7.570 -8.958 1.00 0.00 H new ATOM 1309 N PRO A 83 -6.001 -6.623 -5.495 1.00 0.00 N ATOM 1310 CA PRO A 83 -6.741 -7.263 -4.381 1.00 0.00 C ATOM 1311 C PRO A 83 -7.714 -8.313 -4.926 1.00 0.00 C ATOM 1312 O PRO A 83 -8.159 -8.221 -6.052 1.00 0.00 O ATOM 1313 CB PRO A 83 -7.504 -6.105 -3.743 1.00 0.00 C ATOM 1314 CG PRO A 83 -7.631 -5.079 -4.825 1.00 0.00 C ATOM 1315 CD PRO A 83 -6.445 -5.247 -5.740 1.00 0.00 C ATOM 0 HA PRO A 83 -6.090 -7.780 -3.676 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.483 -6.426 -3.387 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.967 -5.706 -2.882 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.563 -5.213 -5.374 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.652 -4.075 -4.402 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.721 -5.096 -6.784 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.659 -4.527 -5.511 1.00 0.00 H new ATOM 1323 N PRO A 84 -8.014 -9.278 -4.100 1.00 0.00 N ATOM 1324 CA PRO A 84 -8.950 -10.357 -4.500 1.00 0.00 C ATOM 1325 C PRO A 84 -10.311 -9.763 -4.875 1.00 0.00 C ATOM 1326 O PRO A 84 -10.662 -9.671 -6.035 1.00 0.00 O ATOM 1327 CB PRO A 84 -9.065 -11.238 -3.254 1.00 0.00 C ATOM 1328 CG PRO A 84 -8.480 -10.438 -2.130 1.00 0.00 C ATOM 1329 CD PRO A 84 -7.518 -9.452 -2.735 1.00 0.00 C ATOM 0 HA PRO A 84 -8.605 -10.916 -5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.105 -11.494 -3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.526 -12.176 -3.388 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.264 -9.920 -1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.968 -11.089 -1.421 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.513 -8.510 -2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.496 -9.832 -2.725 1.00 0.00 H new ATOM 1387 N TYR A 89 -7.978 -4.365 2.995 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.324 -3.156 3.571 1.00 0.00 C ATOM 1389 C TYR A 89 -5.907 -3.009 3.016 1.00 0.00 C ATOM 1390 O TYR A 89 -5.015 -3.761 3.359 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.278 -3.382 5.084 1.00 0.00 C ATOM 1392 CG TYR A 89 -8.583 -3.982 5.553 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -9.798 -3.464 5.090 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -8.576 -5.056 6.452 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -11.008 -4.020 5.525 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -9.785 -5.612 6.887 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.001 -5.094 6.424 1.00 0.00 C ATOM 1398 OH TYR A 89 -12.193 -5.641 6.853 1.00 0.00 O ATOM 0 HA TYR A 89 -7.870 -2.247 3.319 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.451 -4.045 5.337 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.097 -2.437 5.596 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.803 -2.635 4.397 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.638 -5.455 6.810 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.946 -3.621 5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.780 -6.441 7.580 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.010 -6.378 7.473 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.686 -2.042 2.171 1.00 0.00 N ATOM 1409 CA ILE A 90 -4.322 -1.846 1.606 1.00 0.00 C ATOM 1410 C ILE A 90 -3.414 -1.225 2.669 1.00 0.00 C ATOM 1411 O ILE A 90 -3.556 -0.072 3.017 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.515 -0.881 0.435 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -5.577 -1.438 -0.520 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -3.190 -0.707 -0.310 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -4.988 -2.587 -1.341 1.00 0.00 C ATOM 0 H ILE A 90 -6.390 -1.379 1.847 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.859 -2.780 1.287 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.844 0.087 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.440 -1.789 0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.931 -0.649 -1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.329 -0.019 -1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.440 -0.305 0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.856 -1.673 -0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.748 -2.978 -2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.140 -2.223 -1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.656 -3.380 -0.671 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.481 -1.975 3.194 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.585 -1.404 4.237 1.00 0.00 C ATOM 1429 C ILE A 91 -0.240 -1.025 3.620 1.00 0.00 C ATOM 1430 O ILE A 91 0.169 -1.569 2.612 1.00 0.00 O ATOM 1431 CB ILE A 91 -1.418 -2.512 5.273 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.699 -2.632 6.100 1.00 0.00 C ATOM 1433 CG2 ILE A 91 -0.250 -2.170 6.196 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.781 -4.031 6.716 1.00 0.00 C ATOM 0 H ILE A 91 -2.303 -2.949 2.948 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.993 -0.498 4.685 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.220 -3.457 4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.709 -1.876 6.885 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.569 -2.449 5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.129 -2.960 6.937 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.664 -2.080 5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.451 -1.226 6.702 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.694 -4.116 7.305 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.790 -4.778 5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.917 -4.196 7.360 1.00 0.00 H new ATOM 1446 N ILE A 92 0.446 -0.084 4.207 1.00 0.00 N ATOM 1447 CA ILE A 92 1.758 0.343 3.638 1.00 0.00 C ATOM 1448 C ILE A 92 2.769 0.603 4.760 1.00 0.00 C ATOM 1449 O ILE A 92 2.408 0.991 5.847 1.00 0.00 O ATOM 1450 CB ILE A 92 1.431 1.643 2.888 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.086 1.323 1.433 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.626 2.602 2.923 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.375 2.524 0.811 1.00 0.00 C ATOM 0 H ILE A 92 0.158 0.407 5.053 1.00 0.00 H new ATOM 0 HA ILE A 92 2.205 -0.412 2.991 1.00 0.00 H new ATOM 0 HB ILE A 92 0.581 2.119 3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.993 1.092 0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.447 0.441 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.374 3.517 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.869 2.843 3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.486 2.129 2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.126 2.302 -0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.539 2.733 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.030 3.394 0.849 1.00 0.00 H new ATOM 1465 N GLY A 93 4.034 0.410 4.503 1.00 0.00 N ATOM 1466 CA GLY A 93 5.040 0.679 5.561 1.00 0.00 C ATOM 1467 C GLY A 93 5.051 -0.470 6.562 1.00 0.00 C ATOM 1468 O GLY A 93 4.656 -1.580 6.263 1.00 0.00 O ATOM 0 H GLY A 93 4.409 0.081 3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.028 0.796 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.807 1.615 6.069 1.00 0.00 H new ATOM 1472 N VAL A 94 5.505 -0.217 7.753 1.00 0.00 N ATOM 1473 CA VAL A 94 5.550 -1.300 8.773 1.00 0.00 C ATOM 1474 C VAL A 94 4.917 -0.825 10.079 1.00 0.00 C ATOM 1475 O VAL A 94 4.840 0.355 10.333 1.00 0.00 O ATOM 1476 CB VAL A 94 7.040 -1.605 8.957 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.457 -2.650 7.921 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.866 -0.329 8.748 1.00 0.00 C ATOM 0 H VAL A 94 5.847 0.691 8.066 1.00 0.00 H new ATOM 0 HA VAL A 94 4.993 -2.186 8.467 1.00 0.00 H new ATOM 0 HB VAL A 94 7.215 -1.980 9.965 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.516 -2.877 8.040 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.872 -3.559 8.065 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.280 -2.260 6.919 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.924 -0.555 8.881 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.700 0.051 7.740 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.562 0.424 9.475 1.00 0.00 H new ATOM 1488 N GLU A 95 4.461 -1.741 10.900 1.00 0.00 N ATOM 1489 CA GLU A 95 3.820 -1.359 12.200 1.00 0.00 C ATOM 1490 C GLU A 95 4.420 -0.057 12.738 1.00 0.00 C ATOM 1491 O GLU A 95 3.711 0.900 12.981 1.00 0.00 O ATOM 1492 CB GLU A 95 4.129 -2.520 13.146 1.00 0.00 C ATOM 1493 CG GLU A 95 2.837 -3.276 13.464 1.00 0.00 C ATOM 1494 CD GLU A 95 3.142 -4.769 13.610 1.00 0.00 C ATOM 1495 OE1 GLU A 95 3.963 -5.105 14.448 1.00 0.00 O ATOM 1496 OE2 GLU A 95 2.549 -5.548 12.883 1.00 0.00 O ATOM 0 H GLU A 95 4.506 -2.745 10.724 1.00 0.00 H new ATOM 0 HA GLU A 95 2.749 -1.187 12.092 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.854 -3.193 12.688 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.579 -2.145 14.065 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.396 -2.892 14.384 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.106 -3.119 12.670 1.00 0.00 H new ATOM 1503 N PRO A 96 5.714 -0.063 12.888 1.00 0.00 N ATOM 1504 CA PRO A 96 6.430 1.134 13.380 1.00 0.00 C ATOM 1505 C PRO A 96 5.856 2.405 12.745 1.00 0.00 C ATOM 1506 O PRO A 96 5.695 3.419 13.396 1.00 0.00 O ATOM 1507 CB PRO A 96 7.863 0.889 12.922 1.00 0.00 C ATOM 1508 CG PRO A 96 8.003 -0.599 12.833 1.00 0.00 C ATOM 1509 CD PRO A 96 6.627 -1.178 12.618 1.00 0.00 C ATOM 0 HA PRO A 96 6.346 1.279 14.457 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.053 1.360 11.958 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.579 1.309 13.629 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.665 -0.872 12.012 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.447 -0.997 13.746 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.508 -1.551 11.601 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.440 -2.016 13.289 1.00 0.00 H new ATOM 1517 N GLY A 97 5.545 2.355 11.481 1.00 0.00 N ATOM 1518 CA GLY A 97 4.978 3.551 10.795 1.00 0.00 C ATOM 1519 C GLY A 97 4.278 3.097 9.515 1.00 0.00 C ATOM 1520 O GLY A 97 4.527 3.598 8.438 1.00 0.00 O ATOM 0 H GLY A 97 5.659 1.532 10.889 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.273 4.063 11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.770 4.263 10.560 1.00 0.00 H new ATOM 1524 N GLN A 98 3.420 2.130 9.619 1.00 0.00 N ATOM 1525 CA GLN A 98 2.727 1.625 8.403 1.00 0.00 C ATOM 1526 C GLN A 98 1.367 2.315 8.221 1.00 0.00 C ATOM 1527 O GLN A 98 0.714 2.693 9.173 1.00 0.00 O ATOM 1528 CB GLN A 98 2.582 0.114 8.661 1.00 0.00 C ATOM 1529 CG GLN A 98 1.216 -0.401 8.191 1.00 0.00 C ATOM 1530 CD GLN A 98 1.024 -1.840 8.672 1.00 0.00 C ATOM 1531 OE1 GLN A 98 -0.011 -2.179 9.210 1.00 0.00 O ATOM 1532 NE2 GLN A 98 1.984 -2.707 8.500 1.00 0.00 N ATOM 0 H GLN A 98 3.166 1.665 10.491 1.00 0.00 H new ATOM 0 HA GLN A 98 3.273 1.830 7.482 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.375 -0.424 8.141 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.704 -0.089 9.725 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.421 0.234 8.582 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.153 -0.358 7.104 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.853 -2.423 8.048 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.865 -3.669 8.817 1.00 0.00 H new ATOM 1541 N LEU A 99 0.940 2.467 6.995 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.374 3.114 6.729 1.00 0.00 C ATOM 1543 C LEU A 99 -1.461 2.049 6.592 1.00 0.00 C ATOM 1544 O LEU A 99 -1.193 0.863 6.651 1.00 0.00 O ATOM 1545 CB LEU A 99 -0.192 3.852 5.408 1.00 0.00 C ATOM 1546 CG LEU A 99 0.347 5.254 5.672 1.00 0.00 C ATOM 1547 CD1 LEU A 99 0.739 5.894 4.345 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.735 6.101 6.345 1.00 0.00 C ATOM 0 H LEU A 99 1.449 2.168 6.163 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.675 3.784 7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.496 3.303 4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.143 3.911 4.879 1.00 0.00 H new ATOM 0 HG LEU A 99 1.217 5.195 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.126 6.897 4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.508 5.290 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.136 5.953 3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.348 7.103 6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.606 6.165 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.023 5.640 7.290 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.682 2.460 6.401 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.788 1.468 6.262 1.00 0.00 C ATOM 1562 C LYS A 100 -4.880 1.988 5.328 1.00 0.00 C ATOM 1563 O LYS A 100 -5.501 3.002 5.578 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.340 1.291 7.670 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.611 -0.191 7.926 1.00 0.00 C ATOM 1566 CD LYS A 100 -5.334 -0.356 9.265 1.00 0.00 C ATOM 1567 CE LYS A 100 -4.901 -1.669 9.920 1.00 0.00 C ATOM 1568 NZ LYS A 100 -4.409 -1.282 11.271 1.00 0.00 N ATOM 0 H LYS A 100 -2.964 3.438 6.335 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.434 0.531 5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.629 1.674 8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.259 1.866 7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.217 -0.605 7.120 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.673 -0.746 7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.103 0.483 9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.413 -0.353 9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.734 -2.369 9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.119 -2.160 9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.094 -2.131 11.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.612 -0.621 11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.177 -0.823 11.802 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.128 1.282 4.262 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.191 1.700 3.308 1.00 0.00 C ATOM 1584 C LEU A 101 -7.115 0.509 3.053 1.00 0.00 C ATOM 1585 O LEU A 101 -7.093 -0.455 3.788 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.449 2.107 2.035 1.00 0.00 C ATOM 1587 CG LEU A 101 -5.088 3.590 2.110 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -3.921 3.784 3.080 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.682 4.088 0.721 1.00 0.00 C ATOM 0 H LEU A 101 -4.635 0.426 4.009 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.806 2.520 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.546 1.507 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.072 1.917 1.161 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.951 4.155 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.664 4.842 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.208 3.430 4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.058 3.218 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.425 5.146 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.819 3.522 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.512 3.951 0.028 1.00 0.00 H new ATOM 1601 N ASN A 102 -7.924 0.552 2.030 1.00 0.00 N ATOM 1602 CA ASN A 102 -8.832 -0.604 1.768 1.00 0.00 C ATOM 1603 C ASN A 102 -9.676 -0.363 0.515 1.00 0.00 C ATOM 1604 O ASN A 102 -9.984 0.760 0.166 1.00 0.00 O ATOM 1605 CB ASN A 102 -9.728 -0.689 3.005 1.00 0.00 C ATOM 1606 CG ASN A 102 -10.383 0.671 3.257 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -9.728 1.691 3.206 1.00 0.00 O ATOM 1608 ND2 ASN A 102 -11.658 0.726 3.528 1.00 0.00 N ATOM 0 H ASN A 102 -7.997 1.327 1.371 1.00 0.00 H new ATOM 0 HA ASN A 102 -8.276 -1.525 1.594 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.493 -1.452 2.861 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -9.140 -0.988 3.873 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.105 1.627 3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -12.208 -0.132 3.571 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.057 -1.413 -0.163 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.887 -1.248 -1.390 1.00 0.00 C ATOM 1617 C TRP A 103 -12.220 -1.987 -1.226 1.00 0.00 C ATOM 1618 O TRP A 103 -12.266 -3.107 -0.757 1.00 0.00 O ATOM 1619 CB TRP A 103 -10.061 -1.873 -2.515 1.00 0.00 C ATOM 1620 CG TRP A 103 -10.282 -1.103 -3.777 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -10.516 -1.652 -4.991 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -10.293 0.341 -3.971 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.670 -0.637 -5.918 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.542 0.609 -5.338 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -10.113 1.433 -3.102 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.611 1.915 -5.826 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -10.181 2.747 -3.590 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.430 2.988 -4.950 1.00 0.00 C ATOM 0 H TRP A 103 -9.829 -2.377 0.080 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.124 -0.204 -1.593 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -9.003 -1.866 -2.252 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -10.348 -2.915 -2.656 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -10.573 -2.710 -5.202 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.856 -0.791 -6.909 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -9.921 1.259 -2.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.803 2.095 -6.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -10.041 3.578 -2.915 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.482 4.002 -5.319 1.00 0.00 H new