USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 251 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 Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.07 K(o=-1.1,f=-4.5!) USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= -0.0295 (180deg=-0.425) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 56:sc= 0.189 USER MOD Single : A 39 ASN : amide:sc= -0.117 K(o=-0.12,f=-1) USER MOD Single : A 40 SER OG : rot -164:sc= -1 USER MOD Single : A 44 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-2.2!) USER MOD Single : A 46 ASN : amide:sc= -6.55! C(o=-6.6!,f=-12!) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 144:sc= -0.105 (180deg=-1.59!) USER MOD ----------------------------------------------------------------- ATOM 253 N PRO A 18 -12.167 25.623 -5.829 1.00 0.00 N ATOM 254 CA PRO A 18 -11.064 26.359 -5.236 1.00 0.00 C ATOM 255 C PRO A 18 -9.815 25.482 -5.127 1.00 0.00 C ATOM 256 O PRO A 18 -9.712 24.456 -5.798 1.00 0.00 O ATOM 257 CB PRO A 18 -11.582 26.826 -3.886 1.00 0.00 C ATOM 258 CG PRO A 18 -12.782 25.947 -3.574 1.00 0.00 C ATOM 259 CD PRO A 18 -13.179 25.228 -4.853 1.00 0.00 C ATOM 0 HA PRO A 18 -10.752 27.209 -5.843 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.815 26.727 -3.118 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.866 27.878 -3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.535 25.228 -2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.610 26.550 -3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -13.193 24.147 -4.712 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -14.178 25.520 -5.178 1.00 0.00 H new ATOM 264 N PHE A 19 -8.898 25.917 -4.276 1.00 0.00 N ATOM 265 CA PHE A 19 -7.660 25.183 -4.069 1.00 0.00 C ATOM 266 C PHE A 19 -7.693 24.415 -2.747 1.00 0.00 C ATOM 267 O PHE A 19 -7.148 23.316 -2.651 1.00 0.00 O ATOM 268 CB PHE A 19 -6.532 26.215 -4.018 1.00 0.00 C ATOM 269 CG PHE A 19 -5.670 26.257 -5.281 1.00 0.00 C ATOM 270 CD1 PHE A 19 -6.243 26.513 -6.488 1.00 0.00 C ATOM 271 CD2 PHE A 19 -4.330 26.041 -5.197 1.00 0.00 C ATOM 272 CE1 PHE A 19 -5.443 26.552 -7.660 1.00 0.00 C ATOM 273 CE2 PHE A 19 -3.530 26.080 -6.370 1.00 0.00 C ATOM 274 CZ PHE A 19 -4.103 26.334 -7.576 1.00 0.00 C ATOM 0 H PHE A 19 -8.987 26.768 -3.721 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.516 24.462 -4.873 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.964 27.202 -3.852 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.893 25.998 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.307 26.687 -6.555 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.874 25.840 -4.239 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.898 26.755 -8.618 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.466 25.908 -6.304 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.494 26.363 -8.468 1.00 0.00 H new ATOM 283 N ARG A 20 -8.337 25.023 -1.761 1.00 0.00 N ATOM 284 CA ARG A 20 -8.448 24.409 -0.449 1.00 0.00 C ATOM 285 C ARG A 20 -9.478 23.279 -0.477 1.00 0.00 C ATOM 286 O ARG A 20 -9.362 22.309 0.271 1.00 0.00 O ATOM 287 CB ARG A 20 -8.857 25.437 0.607 1.00 0.00 C ATOM 288 CG ARG A 20 -8.817 26.856 0.035 1.00 0.00 C ATOM 289 CD ARG A 20 -10.111 27.180 -0.717 1.00 0.00 C ATOM 290 NE ARG A 20 -10.928 28.129 0.069 1.00 0.00 N ATOM 291 CZ ARG A 20 -10.576 29.398 0.316 1.00 0.00 C ATOM 292 NH1 ARG A 20 -9.419 29.877 -0.159 1.00 0.00 N ATOM 293 NH2 ARG A 20 -11.382 30.189 1.039 1.00 0.00 N ATOM 0 H ARG A 20 -8.787 25.934 -1.845 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.469 24.006 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.862 25.214 0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.188 25.368 1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.672 27.574 0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.966 26.957 -0.638 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.877 27.609 -1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.675 26.265 -0.898 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.815 27.797 0.447 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.806 29.276 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.151 30.843 0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.263 29.825 1.401 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.114 31.155 1.227 1.00 0.00 H new ATOM 304 N ALA A 21 -10.463 23.440 -1.348 1.00 0.00 N ATOM 305 CA ALA A 21 -11.514 22.445 -1.483 1.00 0.00 C ATOM 306 C ALA A 21 -10.883 21.077 -1.745 1.00 0.00 C ATOM 307 O ALA A 21 -11.408 20.053 -1.308 1.00 0.00 O ATOM 308 CB ALA A 21 -12.476 22.867 -2.595 1.00 0.00 C ATOM 0 H ALA A 21 -10.556 24.245 -1.968 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.093 22.370 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.264 22.121 -2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.919 23.831 -2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.931 22.950 -3.535 1.00 0.00 H new ATOM 314 N TYR A 22 -9.767 21.101 -2.456 1.00 0.00 N ATOM 315 CA TYR A 22 -9.059 19.875 -2.782 1.00 0.00 C ATOM 316 C TYR A 22 -8.300 19.340 -1.565 1.00 0.00 C ATOM 317 O TYR A 22 -8.180 18.129 -1.388 1.00 0.00 O ATOM 318 CB TYR A 22 -8.052 20.246 -3.873 1.00 0.00 C ATOM 319 CG TYR A 22 -6.674 19.604 -3.692 1.00 0.00 C ATOM 320 CD1 TYR A 22 -5.777 20.138 -2.789 1.00 0.00 C ATOM 321 CD2 TYR A 22 -6.328 18.492 -4.433 1.00 0.00 C ATOM 322 CE1 TYR A 22 -4.481 19.535 -2.619 1.00 0.00 C ATOM 323 CE2 TYR A 22 -5.032 17.889 -4.263 1.00 0.00 C ATOM 324 CZ TYR A 22 -4.172 18.440 -3.365 1.00 0.00 C ATOM 325 OH TYR A 22 -2.948 17.870 -3.204 1.00 0.00 O ATOM 0 H TYR A 22 -9.334 21.951 -2.816 1.00 0.00 H new ATOM 0 HA TYR A 22 -9.758 19.103 -3.103 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.455 19.950 -4.841 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -7.937 21.330 -3.894 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.048 21.008 -2.210 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.029 18.074 -5.140 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.770 19.942 -1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.749 17.018 -4.836 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.866 17.096 -3.800 1.00 0.00 H new ATOM 334 N LEU A 23 -7.809 20.270 -0.759 1.00 0.00 N ATOM 335 CA LEU A 23 -7.066 19.907 0.436 1.00 0.00 C ATOM 336 C LEU A 23 -7.946 19.035 1.333 1.00 0.00 C ATOM 337 O LEU A 23 -7.504 17.993 1.818 1.00 0.00 O ATOM 338 CB LEU A 23 -6.527 21.158 1.133 1.00 0.00 C ATOM 339 CG LEU A 23 -6.534 21.130 2.662 1.00 0.00 C ATOM 340 CD1 LEU A 23 -7.963 21.202 3.205 1.00 0.00 C ATOM 341 CD2 LEU A 23 -5.781 19.908 3.192 1.00 0.00 C ATOM 0 H LEU A 23 -7.911 21.274 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.190 19.314 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.503 21.324 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.114 22.015 0.803 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.007 22.014 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.940 21.180 4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.433 22.127 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.535 20.350 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.801 19.913 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.257 18.999 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.747 19.940 2.848 1.00 0.00 H new ATOM 352 N GLU A 24 -9.174 19.491 1.528 1.00 0.00 N ATOM 353 CA GLU A 24 -10.119 18.765 2.359 1.00 0.00 C ATOM 354 C GLU A 24 -10.226 17.311 1.894 1.00 0.00 C ATOM 355 O GLU A 24 -10.542 16.424 2.686 1.00 0.00 O ATOM 356 CB GLU A 24 -11.489 19.445 2.353 1.00 0.00 C ATOM 357 CG GLU A 24 -12.112 19.438 3.750 1.00 0.00 C ATOM 358 CD GLU A 24 -12.391 20.864 4.232 1.00 0.00 C ATOM 359 OE1 GLU A 24 -11.409 21.538 4.609 1.00 0.00 O ATOM 360 OE2 GLU A 24 -13.581 21.246 4.213 1.00 0.00 O ATOM 0 H GLU A 24 -9.537 20.355 1.125 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.751 18.772 3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.387 20.472 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.150 18.933 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.040 18.867 3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.441 18.938 4.449 1.00 0.00 H new ATOM 365 N SER A 25 -9.958 17.111 0.612 1.00 0.00 N ATOM 366 CA SER A 25 -10.020 15.780 0.033 1.00 0.00 C ATOM 367 C SER A 25 -9.123 14.825 0.822 1.00 0.00 C ATOM 368 O SER A 25 -9.289 13.608 0.744 1.00 0.00 O ATOM 369 CB SER A 25 -9.608 15.801 -1.441 1.00 0.00 C ATOM 370 OG SER A 25 -10.065 14.646 -2.139 1.00 0.00 O ATOM 0 H SER A 25 -9.697 17.849 -0.042 1.00 0.00 H new ATOM 0 HA SER A 25 -11.051 15.430 0.089 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.010 16.695 -1.917 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.522 15.862 -1.513 1.00 0.00 H new ATOM 0 HG SER A 25 -9.783 14.698 -3.076 1.00 0.00 H new ATOM 375 N GLU A 26 -8.195 15.410 1.563 1.00 0.00 N ATOM 376 CA GLU A 26 -7.272 14.624 2.365 1.00 0.00 C ATOM 377 C GLU A 26 -8.042 13.748 3.355 1.00 0.00 C ATOM 378 O GLU A 26 -7.725 12.572 3.525 1.00 0.00 O ATOM 379 CB GLU A 26 -6.275 15.527 3.094 1.00 0.00 C ATOM 380 CG GLU A 26 -6.999 16.584 3.929 1.00 0.00 C ATOM 381 CD GLU A 26 -7.069 16.165 5.400 1.00 0.00 C ATOM 382 OE1 GLU A 26 -6.146 15.440 5.829 1.00 0.00 O ATOM 383 OE2 GLU A 26 -8.045 16.581 6.062 1.00 0.00 O ATOM 0 H GLU A 26 -8.062 16.419 1.626 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.705 13.974 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.637 14.923 3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.624 16.015 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.480 17.539 3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.007 16.732 3.541 1.00 0.00 H new ATOM 388 N VAL A 27 -9.040 14.355 3.981 1.00 0.00 N ATOM 389 CA VAL A 27 -9.859 13.644 4.948 1.00 0.00 C ATOM 390 C VAL A 27 -10.797 12.687 4.211 1.00 0.00 C ATOM 391 O VAL A 27 -11.036 11.571 4.671 1.00 0.00 O ATOM 392 CB VAL A 27 -10.603 14.643 5.838 1.00 0.00 C ATOM 393 CG1 VAL A 27 -11.907 15.097 5.180 1.00 0.00 C ATOM 394 CG2 VAL A 27 -10.864 14.052 7.225 1.00 0.00 C ATOM 0 H VAL A 27 -9.300 15.331 3.837 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.234 13.042 5.608 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.968 15.520 5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.416 15.806 5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.686 15.576 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -12.550 14.233 5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.394 14.782 7.838 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.470 13.151 7.128 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.915 13.802 7.698 1.00 0.00 H new ATOM 404 N ALA A 28 -11.302 13.156 3.081 1.00 0.00 N ATOM 405 CA ALA A 28 -12.208 12.355 2.276 1.00 0.00 C ATOM 406 C ALA A 28 -11.515 11.051 1.880 1.00 0.00 C ATOM 407 O ALA A 28 -12.142 9.993 1.852 1.00 0.00 O ATOM 408 CB ALA A 28 -12.663 13.165 1.061 1.00 0.00 C ATOM 0 H ALA A 28 -11.101 14.082 2.703 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.099 12.094 2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.343 12.564 0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.176 14.067 1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.795 13.442 0.463 1.00 0.00 H new ATOM 414 N ILE A 29 -10.228 11.168 1.585 1.00 0.00 N ATOM 415 CA ILE A 29 -9.441 10.011 1.193 1.00 0.00 C ATOM 416 C ILE A 29 -9.067 9.206 2.440 1.00 0.00 C ATOM 417 O ILE A 29 -8.991 7.979 2.391 1.00 0.00 O ATOM 418 CB ILE A 29 -8.236 10.441 0.354 1.00 0.00 C ATOM 419 CG1 ILE A 29 -7.190 11.147 1.219 1.00 0.00 C ATOM 420 CG2 ILE A 29 -8.673 11.300 -0.833 1.00 0.00 C ATOM 421 CD1 ILE A 29 -5.815 11.117 0.550 1.00 0.00 C ATOM 0 H ILE A 29 -9.711 12.047 1.610 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.027 9.352 0.552 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.766 9.546 -0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.492 12.180 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.134 10.665 2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.797 11.592 -1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.353 10.728 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.181 12.193 -0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.090 11.625 1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.505 10.083 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.869 11.622 -0.415 1.00 0.00 H new ATOM 432 N SER A 30 -8.846 9.930 3.526 1.00 0.00 N ATOM 433 CA SER A 30 -8.481 9.299 4.784 1.00 0.00 C ATOM 434 C SER A 30 -9.528 8.250 5.166 1.00 0.00 C ATOM 435 O SER A 30 -9.183 7.143 5.573 1.00 0.00 O ATOM 436 CB SER A 30 -8.338 10.337 5.899 1.00 0.00 C ATOM 437 OG SER A 30 -7.381 9.940 6.878 1.00 0.00 O ATOM 0 H SER A 30 -8.912 10.947 3.562 1.00 0.00 H new ATOM 0 HA SER A 30 -7.516 8.809 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.041 11.293 5.468 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.305 10.490 6.378 1.00 0.00 H new ATOM 0 HG SER A 30 -7.317 10.629 7.572 1.00 0.00 H new ATOM 442 N GLU A 31 -10.787 8.638 5.020 1.00 0.00 N ATOM 443 CA GLU A 31 -11.886 7.745 5.345 1.00 0.00 C ATOM 444 C GLU A 31 -11.916 6.564 4.372 1.00 0.00 C ATOM 445 O GLU A 31 -12.184 5.432 4.772 1.00 0.00 O ATOM 446 CB GLU A 31 -13.220 8.494 5.340 1.00 0.00 C ATOM 447 CG GLU A 31 -13.435 9.223 4.012 1.00 0.00 C ATOM 448 CD GLU A 31 -14.888 9.680 3.866 1.00 0.00 C ATOM 449 OE1 GLU A 31 -15.373 10.338 4.811 1.00 0.00 O ATOM 450 OE2 GLU A 31 -15.480 9.361 2.813 1.00 0.00 O ATOM 0 H GLU A 31 -11.070 9.558 4.681 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.728 7.357 6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.036 7.792 5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.241 9.211 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.771 10.086 3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -13.173 8.564 3.185 1.00 0.00 H new ATOM 455 N GLU A 32 -11.638 6.869 3.113 1.00 0.00 N ATOM 456 CA GLU A 32 -11.630 5.847 2.080 1.00 0.00 C ATOM 457 C GLU A 32 -10.424 4.922 2.258 1.00 0.00 C ATOM 458 O GLU A 32 -10.522 3.718 2.027 1.00 0.00 O ATOM 459 CB GLU A 32 -11.636 6.478 0.686 1.00 0.00 C ATOM 460 CG GLU A 32 -12.995 6.294 0.007 1.00 0.00 C ATOM 461 CD GLU A 32 -13.170 4.856 -0.489 1.00 0.00 C ATOM 462 OE1 GLU A 32 -13.228 3.960 0.381 1.00 0.00 O ATOM 463 OE2 GLU A 32 -13.243 4.687 -1.725 1.00 0.00 O ATOM 0 H GLU A 32 -11.417 7.809 2.785 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.538 5.251 2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.405 7.540 0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.856 6.025 0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.792 6.540 0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.083 6.985 -0.831 1.00 0.00 H new ATOM 468 N LEU A 33 -9.315 5.519 2.669 1.00 0.00 N ATOM 469 CA LEU A 33 -8.093 4.764 2.881 1.00 0.00 C ATOM 470 C LEU A 33 -8.308 3.761 4.017 1.00 0.00 C ATOM 471 O LEU A 33 -8.089 2.564 3.842 1.00 0.00 O ATOM 472 CB LEU A 33 -6.912 5.709 3.112 1.00 0.00 C ATOM 473 CG LEU A 33 -5.671 5.454 2.254 1.00 0.00 C ATOM 474 CD1 LEU A 33 -4.935 4.194 2.715 1.00 0.00 C ATOM 475 CD2 LEU A 33 -6.034 5.394 0.769 1.00 0.00 C ATOM 0 H LEU A 33 -9.238 6.518 2.861 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.842 4.189 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.249 6.730 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.623 5.647 4.161 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.987 6.293 2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.057 4.036 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.624 4.314 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.599 3.334 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.134 5.212 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.747 4.587 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.480 6.341 0.465 1.00 0.00 H new ATOM 486 N VAL A 34 -8.737 4.287 5.155 1.00 0.00 N ATOM 487 CA VAL A 34 -8.985 3.453 6.319 1.00 0.00 C ATOM 488 C VAL A 34 -9.999 2.367 5.955 1.00 0.00 C ATOM 489 O VAL A 34 -9.888 1.231 6.413 1.00 0.00 O ATOM 490 CB VAL A 34 -9.432 4.319 7.497 1.00 0.00 C ATOM 491 CG1 VAL A 34 -8.483 5.502 7.700 1.00 0.00 C ATOM 492 CG2 VAL A 34 -10.873 4.799 7.310 1.00 0.00 C ATOM 0 H VAL A 34 -8.919 5.281 5.296 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.070 2.951 6.632 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.398 3.704 8.396 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.824 6.101 8.544 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.478 5.132 7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.470 6.117 6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.166 5.413 8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.944 5.389 6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.537 3.938 7.238 1.00 0.00 H new ATOM 502 N GLN A 35 -10.965 2.755 5.135 1.00 0.00 N ATOM 503 CA GLN A 35 -11.998 1.828 4.704 1.00 0.00 C ATOM 504 C GLN A 35 -11.415 0.792 3.741 1.00 0.00 C ATOM 505 O GLN A 35 -11.932 -0.319 3.631 1.00 0.00 O ATOM 506 CB GLN A 35 -13.171 2.573 4.064 1.00 0.00 C ATOM 507 CG GLN A 35 -14.276 2.841 5.089 1.00 0.00 C ATOM 508 CD GLN A 35 -14.925 1.534 5.549 1.00 0.00 C ATOM 509 OE1 GLN A 35 -14.423 0.446 5.317 1.00 0.00 O ATOM 510 NE2 GLN A 35 -16.065 1.701 6.213 1.00 0.00 N ATOM 0 H GLN A 35 -11.054 3.698 4.758 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.378 1.305 5.582 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.822 3.517 3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.571 1.986 3.237 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.860 3.367 5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.032 3.493 4.652 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.429 2.640 6.373 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.575 0.890 6.563 1.00 0.00 H new ATOM 517 N LYS A 36 -10.347 1.194 3.067 1.00 0.00 N ATOM 518 CA LYS A 36 -9.689 0.314 2.116 1.00 0.00 C ATOM 519 C LYS A 36 -8.949 -0.789 2.876 1.00 0.00 C ATOM 520 O LYS A 36 -8.775 -1.893 2.362 1.00 0.00 O ATOM 521 CB LYS A 36 -8.791 1.120 1.174 1.00 0.00 C ATOM 522 CG LYS A 36 -7.313 0.892 1.496 1.00 0.00 C ATOM 523 CD LYS A 36 -6.416 1.604 0.482 1.00 0.00 C ATOM 524 CE LYS A 36 -6.403 0.862 -0.856 1.00 0.00 C ATOM 525 NZ LYS A 36 -5.620 1.616 -1.859 1.00 0.00 N ATOM 0 H LYS A 36 -9.921 2.116 3.161 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.424 -0.176 1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.990 0.833 0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.026 2.181 1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.095 1.257 2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.097 -0.176 1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.769 2.624 0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.401 1.672 0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.975 -0.131 -0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.424 0.724 -1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.850 1.269 -2.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.854 2.627 -1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.605 1.483 -1.678 1.00 0.00 H new ATOM 535 N TYR A 37 -8.533 -0.452 4.088 1.00 0.00 N ATOM 536 CA TYR A 37 -7.816 -1.400 4.924 1.00 0.00 C ATOM 537 C TYR A 37 -8.431 -2.797 4.820 1.00 0.00 C ATOM 538 O TYR A 37 -7.754 -3.797 5.053 1.00 0.00 O ATOM 539 CB TYR A 37 -7.967 -0.894 6.360 1.00 0.00 C ATOM 540 CG TYR A 37 -9.200 -1.437 7.084 1.00 0.00 C ATOM 541 CD1 TYR A 37 -10.459 -1.227 6.557 1.00 0.00 C ATOM 542 CD2 TYR A 37 -9.056 -2.137 8.265 1.00 0.00 C ATOM 543 CE1 TYR A 37 -11.620 -1.738 7.238 1.00 0.00 C ATOM 544 CE2 TYR A 37 -10.216 -2.648 8.947 1.00 0.00 C ATOM 545 CZ TYR A 37 -11.442 -2.423 8.400 1.00 0.00 C ATOM 546 OH TYR A 37 -12.537 -2.906 9.044 1.00 0.00 O ATOM 0 H TYR A 37 -8.679 0.465 4.511 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.773 -1.473 4.614 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.076 -1.167 6.926 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.016 0.195 6.348 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -10.573 -0.679 5.633 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.072 -2.301 8.678 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.610 -1.581 6.836 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.116 -3.197 9.871 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.258 -3.374 9.858 1.00 0.00 H new ATOM 555 N SER A 38 -9.710 -2.821 4.471 1.00 0.00 N ATOM 556 CA SER A 38 -10.424 -4.079 4.333 1.00 0.00 C ATOM 557 C SER A 38 -9.669 -5.008 3.381 1.00 0.00 C ATOM 558 O SER A 38 -9.661 -6.223 3.570 1.00 0.00 O ATOM 559 CB SER A 38 -11.852 -3.850 3.832 1.00 0.00 C ATOM 560 OG SER A 38 -12.814 -4.008 4.871 1.00 0.00 O ATOM 0 H SER A 38 -10.269 -1.990 4.280 1.00 0.00 H new ATOM 0 HA SER A 38 -10.484 -4.548 5.315 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.933 -2.847 3.413 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.070 -4.551 3.026 1.00 0.00 H new ATOM 0 HG SER A 38 -12.599 -3.402 5.611 1.00 0.00 H new ATOM 565 N ASN A 39 -9.054 -4.400 2.377 1.00 0.00 N ATOM 566 CA ASN A 39 -8.298 -5.158 1.393 1.00 0.00 C ATOM 567 C ASN A 39 -7.371 -6.138 2.114 1.00 0.00 C ATOM 568 O ASN A 39 -7.067 -7.210 1.592 1.00 0.00 O ATOM 569 CB ASN A 39 -7.433 -4.235 0.532 1.00 0.00 C ATOM 570 CG ASN A 39 -8.302 -3.310 -0.323 1.00 0.00 C ATOM 571 OD1 ASN A 39 -9.455 -3.588 -0.609 1.00 0.00 O ATOM 572 ND2 ASN A 39 -7.686 -2.197 -0.712 1.00 0.00 N ATOM 0 H ASN A 39 -9.064 -3.392 2.223 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.008 -5.685 0.755 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.782 -3.639 1.172 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.788 -4.832 -0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.181 -1.514 -1.285 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.719 -2.027 -0.437 1.00 0.00 H new ATOM 578 N SER A 40 -6.946 -5.736 3.303 1.00 0.00 N ATOM 579 CA SER A 40 -6.059 -6.566 4.101 1.00 0.00 C ATOM 580 C SER A 40 -6.700 -7.934 4.345 1.00 0.00 C ATOM 581 O SER A 40 -6.013 -8.893 4.693 1.00 0.00 O ATOM 582 CB SER A 40 -5.725 -5.892 5.433 1.00 0.00 C ATOM 583 OG SER A 40 -4.618 -6.512 6.082 1.00 0.00 O ATOM 0 H SER A 40 -7.199 -4.846 3.733 1.00 0.00 H new ATOM 0 HA SER A 40 -5.129 -6.701 3.549 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.501 -4.839 5.261 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.596 -5.930 6.087 1.00 0.00 H new ATOM 0 HG SER A 40 -4.592 -6.234 7.021 1.00 0.00 H new ATOM 588 N ALA A 41 -8.010 -7.980 4.152 1.00 0.00 N ATOM 589 CA ALA A 41 -8.752 -9.214 4.346 1.00 0.00 C ATOM 590 C ALA A 41 -8.228 -10.277 3.379 1.00 0.00 C ATOM 591 O ALA A 41 -8.033 -11.429 3.762 1.00 0.00 O ATOM 592 CB ALA A 41 -10.247 -8.945 4.163 1.00 0.00 C ATOM 0 H ALA A 41 -8.577 -7.182 3.863 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.610 -9.592 5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.804 -9.871 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.576 -8.205 4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.428 -8.567 3.157 1.00 0.00 H new ATOM 598 N LEU A 42 -8.015 -9.852 2.142 1.00 0.00 N ATOM 599 CA LEU A 42 -7.517 -10.753 1.116 1.00 0.00 C ATOM 600 C LEU A 42 -6.487 -11.702 1.733 1.00 0.00 C ATOM 601 O LEU A 42 -6.362 -12.849 1.307 1.00 0.00 O ATOM 602 CB LEU A 42 -6.985 -9.961 -0.080 1.00 0.00 C ATOM 603 CG LEU A 42 -6.081 -10.730 -1.045 1.00 0.00 C ATOM 604 CD1 LEU A 42 -5.827 -9.924 -2.320 1.00 0.00 C ATOM 605 CD2 LEU A 42 -4.778 -11.147 -0.361 1.00 0.00 C ATOM 0 H LEU A 42 -8.178 -8.896 1.827 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.326 -11.370 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.835 -9.573 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.432 -9.100 0.296 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.596 -11.644 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.182 -10.494 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.776 -9.721 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.343 -8.982 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.154 -11.692 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.247 -10.259 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.003 -11.787 0.492 1.00 0.00 H new ATOM 616 N GLY A 43 -5.777 -11.188 2.726 1.00 0.00 N ATOM 617 CA GLY A 43 -4.762 -11.975 3.406 1.00 0.00 C ATOM 618 C GLY A 43 -3.503 -11.144 3.661 1.00 0.00 C ATOM 619 O GLY A 43 -2.604 -11.578 4.379 1.00 0.00 O ATOM 0 H GLY A 43 -5.884 -10.236 3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.157 -12.344 4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.510 -12.848 2.804 1.00 0.00 H new ATOM 623 N HIS A 44 -3.480 -9.963 3.060 1.00 0.00 N ATOM 624 CA HIS A 44 -2.347 -9.068 3.213 1.00 0.00 C ATOM 625 C HIS A 44 -2.439 -7.942 2.182 1.00 0.00 C ATOM 626 O HIS A 44 -2.191 -8.159 0.996 1.00 0.00 O ATOM 627 CB HIS A 44 -1.028 -9.840 3.131 1.00 0.00 C ATOM 628 CG HIS A 44 -0.378 -10.089 4.471 1.00 0.00 C ATOM 629 ND1 HIS A 44 0.079 -9.068 5.285 1.00 0.00 N ATOM 630 CD2 HIS A 44 -0.115 -11.254 5.132 1.00 0.00 C ATOM 631 CE1 HIS A 44 0.593 -9.603 6.382 1.00 0.00 C ATOM 632 NE2 HIS A 44 0.472 -10.958 6.285 1.00 0.00 N ATOM 0 H HIS A 44 -4.229 -9.606 2.466 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.372 -8.611 4.202 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.209 -10.798 2.643 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.334 -9.286 2.499 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.345 -12.248 4.777 1.00 0.00 H new ATOM 0 HE1 HIS A 44 1.031 -9.062 7.208 1.00 0.00 H new ATOM 0 HE2 HIS A 44 0.782 -11.633 6.984 1.00 0.00 H new ATOM 640 N VAL A 45 -2.796 -6.763 2.669 1.00 0.00 N ATOM 641 CA VAL A 45 -2.924 -5.602 1.805 1.00 0.00 C ATOM 642 C VAL A 45 -2.653 -4.334 2.616 1.00 0.00 C ATOM 643 O VAL A 45 -1.873 -3.480 2.198 1.00 0.00 O ATOM 644 CB VAL A 45 -4.298 -5.600 1.132 1.00 0.00 C ATOM 645 CG1 VAL A 45 -4.384 -4.509 0.064 1.00 0.00 C ATOM 646 CG2 VAL A 45 -4.623 -6.974 0.542 1.00 0.00 C ATOM 0 H VAL A 45 -3.001 -6.587 3.652 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.185 -5.639 1.005 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.044 -5.380 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.371 -4.530 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.220 -3.535 0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.623 -4.684 -0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.605 -6.944 0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.871 -7.238 -0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.625 -7.720 1.337 1.00 0.00 H new ATOM 656 N ASN A 46 -3.312 -4.252 3.762 1.00 0.00 N ATOM 657 CA ASN A 46 -3.151 -3.101 4.636 1.00 0.00 C ATOM 658 C ASN A 46 -1.671 -2.721 4.704 1.00 0.00 C ATOM 659 O ASN A 46 -1.335 -1.546 4.843 1.00 0.00 O ATOM 660 CB ASN A 46 -3.623 -3.420 6.056 1.00 0.00 C ATOM 661 CG ASN A 46 -4.929 -2.691 6.376 1.00 0.00 C ATOM 662 OD1 ASN A 46 -5.130 -1.538 6.028 1.00 0.00 O ATOM 663 ND2 ASN A 46 -5.806 -3.425 7.056 1.00 0.00 N ATOM 0 H ASN A 46 -3.958 -4.962 4.106 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.748 -2.283 4.232 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.767 -4.495 6.162 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.855 -3.129 6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.709 -3.029 7.317 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.575 -4.384 7.316 1.00 0.00 H new ATOM 669 N CYS A 47 -0.826 -3.736 4.602 1.00 0.00 N ATOM 670 CA CYS A 47 0.610 -3.523 4.650 1.00 0.00 C ATOM 671 C CYS A 47 0.982 -2.510 3.566 1.00 0.00 C ATOM 672 O CYS A 47 1.736 -1.570 3.820 1.00 0.00 O ATOM 673 CB CYS A 47 1.383 -4.834 4.495 1.00 0.00 C ATOM 674 SG CYS A 47 3.140 -4.485 4.123 1.00 0.00 S ATOM 0 H CYS A 47 -1.109 -4.709 4.486 1.00 0.00 H new ATOM 0 HA CYS A 47 0.888 -3.127 5.627 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.306 -5.421 5.410 1.00 0.00 H new ATOM 0 HB3 CYS A 47 0.945 -5.431 3.695 1.00 0.00 H new ATOM 0 HG CYS A 47 3.787 -5.605 3.995 1.00 0.00 H new ATOM 679 N THR A 48 0.436 -2.734 2.379 1.00 0.00 N ATOM 680 CA THR A 48 0.701 -1.852 1.255 1.00 0.00 C ATOM 681 C THR A 48 -0.071 -0.541 1.413 1.00 0.00 C ATOM 682 O THR A 48 0.397 0.515 0.989 1.00 0.00 O ATOM 683 CB THR A 48 0.359 -2.608 -0.029 1.00 0.00 C ATOM 684 OG1 THR A 48 1.509 -3.411 -0.277 1.00 0.00 O ATOM 685 CG2 THR A 48 0.279 -1.687 -1.248 1.00 0.00 C ATOM 0 H THR A 48 -0.188 -3.513 2.172 1.00 0.00 H new ATOM 0 HA THR A 48 1.753 -1.570 1.212 1.00 0.00 H new ATOM 0 HB THR A 48 -0.592 -3.126 0.098 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.371 -3.937 -1.093 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.033 -2.275 -2.133 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.493 -0.935 -1.086 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.240 -1.194 -1.395 1.00 0.00 H new ATOM 693 N ILE A 49 -1.242 -0.650 2.023 1.00 0.00 N ATOM 694 CA ILE A 49 -2.084 0.513 2.242 1.00 0.00 C ATOM 695 C ILE A 49 -1.296 1.569 3.020 1.00 0.00 C ATOM 696 O ILE A 49 -1.515 2.767 2.845 1.00 0.00 O ATOM 697 CB ILE A 49 -3.396 0.106 2.915 1.00 0.00 C ATOM 698 CG1 ILE A 49 -4.209 -0.826 2.013 1.00 0.00 C ATOM 699 CG2 ILE A 49 -4.199 1.338 3.340 1.00 0.00 C ATOM 700 CD1 ILE A 49 -3.833 -0.631 0.544 1.00 0.00 C ATOM 0 H ILE A 49 -1.628 -1.527 2.373 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.367 0.963 1.290 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.157 -0.451 3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.034 -1.862 2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.273 -0.632 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.127 1.021 3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.613 1.929 4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.429 1.943 2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.425 -1.305 -0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.032 0.400 0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.774 -0.849 0.408 1.00 0.00 H new ATOM 711 N LYS A 50 -0.394 1.087 3.862 1.00 0.00 N ATOM 712 CA LYS A 50 0.428 1.974 4.668 1.00 0.00 C ATOM 713 C LYS A 50 1.034 3.054 3.770 1.00 0.00 C ATOM 714 O LYS A 50 1.228 4.189 4.203 1.00 0.00 O ATOM 715 CB LYS A 50 1.468 1.174 5.454 1.00 0.00 C ATOM 716 CG LYS A 50 2.663 0.808 4.571 1.00 0.00 C ATOM 717 CD LYS A 50 3.495 -0.308 5.206 1.00 0.00 C ATOM 718 CE LYS A 50 4.519 0.264 6.189 1.00 0.00 C ATOM 719 NZ LYS A 50 3.870 0.601 7.476 1.00 0.00 N ATOM 0 H LYS A 50 -0.214 0.093 4.004 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.180 2.483 5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.809 1.757 6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.011 0.266 5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.310 0.490 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.287 1.688 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.838 -1.006 5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.008 -0.872 4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.316 -0.461 6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.982 1.155 5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.524 0.398 8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.622 1.611 7.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.007 0.031 7.589 1.00 0.00 H new ATOM 729 N GLU A 51 1.318 2.664 2.536 1.00 0.00 N ATOM 730 CA GLU A 51 1.898 3.585 1.574 1.00 0.00 C ATOM 731 C GLU A 51 0.870 4.642 1.164 1.00 0.00 C ATOM 732 O GLU A 51 1.215 5.806 0.969 1.00 0.00 O ATOM 733 CB GLU A 51 2.433 2.837 0.352 1.00 0.00 C ATOM 734 CG GLU A 51 1.401 2.821 -0.777 1.00 0.00 C ATOM 735 CD GLU A 51 1.843 1.896 -1.912 1.00 0.00 C ATOM 736 OE1 GLU A 51 2.950 2.135 -2.440 1.00 0.00 O ATOM 737 OE2 GLU A 51 1.064 0.970 -2.227 1.00 0.00 O ATOM 0 H GLU A 51 1.157 1.722 2.180 1.00 0.00 H new ATOM 0 HA GLU A 51 2.740 4.090 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.351 3.311 0.004 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.689 1.815 0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.437 2.491 -0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.261 3.832 -1.161 1.00 0.00 H new ATOM 742 N LEU A 52 -0.372 4.196 1.045 1.00 0.00 N ATOM 743 CA LEU A 52 -1.453 5.089 0.661 1.00 0.00 C ATOM 744 C LEU A 52 -1.697 6.099 1.783 1.00 0.00 C ATOM 745 O LEU A 52 -1.601 7.306 1.568 1.00 0.00 O ATOM 746 CB LEU A 52 -2.698 4.287 0.274 1.00 0.00 C ATOM 747 CG LEU A 52 -2.682 3.656 -1.120 1.00 0.00 C ATOM 748 CD1 LEU A 52 -2.143 4.638 -2.161 1.00 0.00 C ATOM 749 CD2 LEU A 52 -1.903 2.339 -1.116 1.00 0.00 C ATOM 0 H LEU A 52 -0.654 3.229 1.207 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.180 5.659 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.838 3.494 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.565 4.943 0.344 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.709 3.422 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.143 4.164 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.776 5.525 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.126 4.926 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.907 1.911 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.875 2.525 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.371 1.641 -0.422 1.00 0.00 H new ATOM 760 N ARG A 53 -2.007 5.570 2.957 1.00 0.00 N ATOM 761 CA ARG A 53 -2.266 6.411 4.113 1.00 0.00 C ATOM 762 C ARG A 53 -0.982 7.116 4.554 1.00 0.00 C ATOM 763 O ARG A 53 -1.020 8.265 4.991 1.00 0.00 O ATOM 764 CB ARG A 53 -2.814 5.587 5.280 1.00 0.00 C ATOM 765 CG ARG A 53 -1.944 4.356 5.540 1.00 0.00 C ATOM 766 CD ARG A 53 -2.802 3.096 5.670 1.00 0.00 C ATOM 767 NE ARG A 53 -3.428 3.046 7.010 1.00 0.00 N ATOM 768 CZ ARG A 53 -2.770 2.736 8.136 1.00 0.00 C ATOM 769 NH1 ARG A 53 -1.463 2.448 8.089 1.00 0.00 N ATOM 770 NH2 ARG A 53 -3.420 2.716 9.308 1.00 0.00 N ATOM 0 H ARG A 53 -2.085 4.568 3.133 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.011 7.153 3.825 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.854 6.204 6.178 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.835 5.275 5.061 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.230 4.232 4.725 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.365 4.502 6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.573 3.090 4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.187 2.210 5.513 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.423 3.261 7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.969 2.465 7.197 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.962 2.212 8.945 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.415 2.937 9.343 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.919 2.480 10.165 1.00 0.00 H new ATOM 781 N ARG A 54 0.124 6.399 4.422 1.00 0.00 N ATOM 782 CA ARG A 54 1.418 6.942 4.801 1.00 0.00 C ATOM 783 C ARG A 54 1.289 7.779 6.076 1.00 0.00 C ATOM 784 O ARG A 54 1.859 7.434 7.109 1.00 0.00 O ATOM 785 CB ARG A 54 1.999 7.811 3.684 1.00 0.00 C ATOM 786 CG ARG A 54 1.130 9.047 3.443 1.00 0.00 C ATOM 787 CD ARG A 54 1.808 10.013 2.469 1.00 0.00 C ATOM 788 NE ARG A 54 1.052 11.283 2.407 1.00 0.00 N ATOM 789 CZ ARG A 54 1.550 12.432 1.930 1.00 0.00 C ATOM 790 NH1 ARG A 54 2.809 12.477 1.471 1.00 0.00 N ATOM 791 NH2 ARG A 54 0.791 13.536 1.912 1.00 0.00 N ATOM 0 H ARG A 54 0.151 5.447 4.058 1.00 0.00 H new ATOM 0 HA ARG A 54 2.091 6.103 4.980 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.011 8.119 3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.072 7.228 2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.162 8.743 3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.941 9.553 4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.832 10.205 2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.862 9.564 1.477 1.00 0.00 H new ATOM 0 HE ARG A 54 0.091 11.284 2.749 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.387 11.637 1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.188 13.351 1.108 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.167 13.502 2.262 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.171 14.410 1.549 1.00 0.00 H new