USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 439 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 15 GLN : amide:sc= -0.921 K(o=-0.92,f=-4.6) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=1.2) USER MOD Single : A 22 THR OG1 : rot 78:sc= 0.704 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot -114:sc= -0.704 USER MOD Single : A 28 GLN : amide:sc=-0.00503 X(o=-0.005,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc=-0.00261 X(o=-0.0026,f=-0.0026) USER MOD Single : A 45 GLN : amide:sc= -0.246 X(o=-0.25,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.81! K(o=-1.8!,f=-1.1) USER MOD Single : A 54 LYS NZ :NH3+ -143:sc= -0.0134 (180deg=-1.21) USER MOD Single : A 55 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.026) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0.0779 USER MOD ----------------------------------------------------------------- ATOM 229 N ARG A 14 9.265 1.156 -8.260 1.00 0.00 N ATOM 230 CA ARG A 14 10.102 1.420 -7.095 1.00 0.00 C ATOM 231 C ARG A 14 10.361 2.915 -6.939 1.00 0.00 C ATOM 232 O ARG A 14 10.703 3.385 -5.855 1.00 0.00 O ATOM 233 CB ARG A 14 11.430 0.670 -7.215 1.00 0.00 C ATOM 234 CG ARG A 14 12.167 0.941 -8.516 1.00 0.00 C ATOM 235 CD ARG A 14 12.121 -0.263 -9.444 1.00 0.00 C ATOM 236 NE ARG A 14 13.272 -1.142 -9.258 1.00 0.00 N ATOM 237 CZ ARG A 14 13.487 -2.235 -9.982 1.00 0.00 C ATOM 238 NH1 ARG A 14 12.633 -2.580 -10.936 1.00 0.00 N ATOM 239 NH2 ARG A 14 14.557 -2.984 -9.753 1.00 0.00 N ATOM 0 HA ARG A 14 9.572 1.067 -6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.072 0.948 -6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.242 -0.400 -7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.723 1.803 -9.014 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.205 1.197 -8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.204 -0.824 -9.265 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.089 0.078 -10.479 1.00 0.00 H new ATOM 0 HE ARG A 14 13.948 -0.904 -8.532 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.809 -2.006 -11.115 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.800 -3.420 -11.491 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.216 -2.721 -9.020 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.721 -3.823 -10.310 1.00 0.00 H new ATOM 253 N GLN A 15 10.197 3.656 -8.031 1.00 0.00 N ATOM 254 CA GLN A 15 10.415 5.098 -8.015 1.00 0.00 C ATOM 255 C GLN A 15 9.651 5.751 -6.868 1.00 0.00 C ATOM 256 O GLN A 15 10.215 6.527 -6.098 1.00 0.00 O ATOM 257 CB GLN A 15 9.985 5.714 -9.347 1.00 0.00 C ATOM 258 CG GLN A 15 10.781 5.206 -10.538 1.00 0.00 C ATOM 259 CD GLN A 15 12.269 5.136 -10.258 1.00 0.00 C ATOM 260 OE1 GLN A 15 12.736 4.255 -9.536 1.00 0.00 O ATOM 261 NE2 GLN A 15 13.024 6.067 -10.831 1.00 0.00 N ATOM 0 H GLN A 15 9.914 3.282 -8.937 1.00 0.00 H new ATOM 0 HA GLN A 15 11.480 5.278 -7.867 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.928 5.503 -9.511 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.089 6.797 -9.287 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.420 4.216 -10.815 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.606 5.860 -11.393 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.595 6.779 -11.422 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.033 6.070 -10.680 1.00 0.00 H new ATOM 270 N GLN A 16 8.365 5.431 -6.762 1.00 0.00 N ATOM 271 CA GLN A 16 7.524 5.988 -5.709 1.00 0.00 C ATOM 272 C GLN A 16 8.129 5.728 -4.334 1.00 0.00 C ATOM 273 O GLN A 16 7.981 6.535 -3.415 1.00 0.00 O ATOM 274 CB GLN A 16 6.118 5.392 -5.782 1.00 0.00 C ATOM 275 CG GLN A 16 5.379 5.731 -7.067 1.00 0.00 C ATOM 276 CD GLN A 16 4.375 4.666 -7.461 1.00 0.00 C ATOM 277 OE1 GLN A 16 3.296 4.566 -6.876 1.00 0.00 O ATOM 278 NE2 GLN A 16 4.725 3.863 -8.459 1.00 0.00 N ATOM 0 H GLN A 16 7.883 4.789 -7.392 1.00 0.00 H new ATOM 0 HA GLN A 16 7.462 7.066 -5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.186 4.308 -5.687 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.536 5.750 -4.933 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.863 6.683 -6.945 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.101 5.861 -7.873 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.629 3.981 -8.916 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.090 3.128 -8.769 1.00 0.00 H new ATOM 287 N LEU A 17 8.812 4.596 -4.198 1.00 0.00 N ATOM 288 CA LEU A 17 9.440 4.228 -2.934 1.00 0.00 C ATOM 289 C LEU A 17 10.866 4.762 -2.858 1.00 0.00 C ATOM 290 O LEU A 17 11.493 4.736 -1.800 1.00 0.00 O ATOM 291 CB LEU A 17 9.443 2.707 -2.767 1.00 0.00 C ATOM 292 CG LEU A 17 8.071 2.038 -2.682 1.00 0.00 C ATOM 293 CD1 LEU A 17 7.980 0.880 -3.663 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.797 1.561 -1.263 1.00 0.00 C ATOM 0 H LEU A 17 8.945 3.917 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 17 8.861 4.675 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.986 2.271 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.001 2.462 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 17 7.312 2.774 -2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.996 0.416 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.131 1.250 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.748 0.143 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.816 1.087 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.560 0.841 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.818 2.412 -0.583 1.00 0.00 H new ATOM 306 N GLU A 18 11.371 5.249 -3.988 1.00 0.00 N ATOM 307 CA GLU A 18 12.723 5.791 -4.049 1.00 0.00 C ATOM 308 C GLU A 18 12.798 7.145 -3.350 1.00 0.00 C ATOM 309 O GLU A 18 13.764 7.439 -2.645 1.00 0.00 O ATOM 310 CB GLU A 18 13.176 5.930 -5.504 1.00 0.00 C ATOM 311 CG GLU A 18 13.516 4.604 -6.165 1.00 0.00 C ATOM 312 CD GLU A 18 14.990 4.263 -6.065 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.793 4.884 -6.792 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.340 3.375 -5.259 1.00 0.00 O ATOM 0 H GLU A 18 10.864 5.279 -4.873 1.00 0.00 H new ATOM 0 HA GLU A 18 13.388 5.098 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.388 6.420 -6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.050 6.581 -5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.931 3.810 -5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.226 4.641 -7.215 1.00 0.00 H new ATOM 321 N ILE A 19 11.772 7.965 -3.550 1.00 0.00 N ATOM 322 CA ILE A 19 11.721 9.288 -2.939 1.00 0.00 C ATOM 323 C ILE A 19 12.144 9.234 -1.475 1.00 0.00 C ATOM 324 O ILE A 19 12.834 10.127 -0.983 1.00 0.00 O ATOM 325 CB ILE A 19 10.310 9.897 -3.033 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.810 9.862 -4.478 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.313 11.323 -2.502 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.627 8.942 -4.686 1.00 0.00 C ATOM 0 H ILE A 19 10.965 7.737 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 19 12.417 9.919 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 19 9.632 9.303 -2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.533 10.871 -4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.625 9.545 -5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.309 11.740 -2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.631 11.322 -1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.001 11.929 -3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.326 8.967 -5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.905 7.924 -4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.796 9.271 -4.062 1.00 0.00 H new ATOM 340 N LEU A 20 11.726 8.179 -0.784 1.00 0.00 N ATOM 341 CA LEU A 20 12.063 8.006 0.625 1.00 0.00 C ATOM 342 C LEU A 20 13.318 7.154 0.785 1.00 0.00 C ATOM 343 O LEU A 20 14.331 7.616 1.308 1.00 0.00 O ATOM 344 CB LEU A 20 10.895 7.360 1.373 1.00 0.00 C ATOM 345 CG LEU A 20 9.515 7.527 0.736 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.282 8.976 0.339 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.372 6.612 -0.472 1.00 0.00 C ATOM 0 H LEU A 20 11.154 7.431 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 20 12.259 8.991 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.100 6.294 1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.861 7.775 2.380 1.00 0.00 H new ATOM 0 HG LEU A 20 8.760 7.247 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.295 9.075 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.342 9.610 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.042 9.283 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.384 6.744 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.135 6.861 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.495 5.575 -0.159 1.00 0.00 H new ATOM 359 N GLU A 21 13.243 5.908 0.328 1.00 0.00 N ATOM 360 CA GLU A 21 14.373 4.992 0.420 1.00 0.00 C ATOM 361 C GLU A 21 15.673 5.691 0.032 1.00 0.00 C ATOM 362 O GLU A 21 16.750 5.341 0.517 1.00 0.00 O ATOM 363 CB GLU A 21 14.148 3.776 -0.481 1.00 0.00 C ATOM 364 CG GLU A 21 14.590 2.464 0.145 1.00 0.00 C ATOM 365 CD GLU A 21 14.898 1.398 -0.889 1.00 0.00 C ATOM 366 OE1 GLU A 21 14.396 1.512 -2.027 1.00 0.00 O ATOM 367 OE2 GLU A 21 15.642 0.451 -0.561 1.00 0.00 O ATOM 0 H GLU A 21 12.412 5.510 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 21 14.454 4.659 1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.089 3.711 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.688 3.923 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.475 2.638 0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.808 2.102 0.812 1.00 0.00 H new ATOM 374 N THR A 22 15.565 6.684 -0.846 1.00 0.00 N ATOM 375 CA THR A 22 16.730 7.432 -1.301 1.00 0.00 C ATOM 376 C THR A 22 16.970 8.659 -0.429 1.00 0.00 C ATOM 377 O THR A 22 18.064 8.850 0.104 1.00 0.00 O ATOM 378 CB THR A 22 16.573 7.880 -2.766 1.00 0.00 C ATOM 379 OG1 THR A 22 16.202 6.764 -3.583 1.00 0.00 O ATOM 380 CG2 THR A 22 17.866 8.489 -3.287 1.00 0.00 C ATOM 0 H THR A 22 14.682 6.988 -1.256 1.00 0.00 H new ATOM 0 HA THR A 22 17.586 6.762 -1.224 1.00 0.00 H new ATOM 0 HB THR A 22 15.790 8.637 -2.809 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.247 6.576 -3.466 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.731 8.798 -4.324 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.130 9.356 -2.681 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.665 7.750 -3.230 1.00 0.00 H new ATOM 388 N LEU A 23 15.942 9.488 -0.287 1.00 0.00 N ATOM 389 CA LEU A 23 16.041 10.698 0.523 1.00 0.00 C ATOM 390 C LEU A 23 16.113 10.356 2.007 1.00 0.00 C ATOM 391 O LEU A 23 17.123 10.606 2.665 1.00 0.00 O ATOM 392 CB LEU A 23 14.844 11.613 0.256 1.00 0.00 C ATOM 393 CG LEU A 23 14.956 13.039 0.795 1.00 0.00 C ATOM 394 CD1 LEU A 23 13.936 13.945 0.124 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.774 13.054 2.306 1.00 0.00 C ATOM 0 H LEU A 23 15.030 9.345 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 23 16.958 11.218 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.685 11.665 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.956 11.151 0.688 1.00 0.00 H new ATOM 0 HG LEU A 23 15.953 13.416 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.031 14.956 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.113 13.959 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.931 13.571 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.857 14.077 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.791 12.657 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.544 12.439 2.771 1.00 0.00 H new ATOM 407 N PHE A 24 15.035 9.780 2.529 1.00 0.00 N ATOM 408 CA PHE A 24 14.976 9.402 3.937 1.00 0.00 C ATOM 409 C PHE A 24 16.271 8.721 4.371 1.00 0.00 C ATOM 410 O PHE A 24 16.732 8.902 5.497 1.00 0.00 O ATOM 411 CB PHE A 24 13.788 8.471 4.187 1.00 0.00 C ATOM 412 CG PHE A 24 13.740 7.922 5.584 1.00 0.00 C ATOM 413 CD1 PHE A 24 13.094 8.617 6.594 1.00 0.00 C ATOM 414 CD2 PHE A 24 14.342 6.712 5.889 1.00 0.00 C ATOM 415 CE1 PHE A 24 13.048 8.115 7.881 1.00 0.00 C ATOM 416 CE2 PHE A 24 14.299 6.204 7.174 1.00 0.00 C ATOM 417 CZ PHE A 24 13.652 6.908 8.171 1.00 0.00 C ATOM 0 H PHE A 24 14.191 9.565 1.999 1.00 0.00 H new ATOM 0 HA PHE A 24 14.848 10.310 4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.864 9.013 3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.832 7.642 3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 24 12.621 9.562 6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.851 6.159 5.113 1.00 0.00 H new ATOM 0 HE1 PHE A 24 12.540 8.666 8.659 1.00 0.00 H new ATOM 0 HE2 PHE A 24 14.770 5.258 7.398 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.619 6.515 9.176 1.00 0.00 H new ATOM 427 N ASN A 25 16.851 7.936 3.469 1.00 0.00 N ATOM 428 CA ASN A 25 18.092 7.226 3.759 1.00 0.00 C ATOM 429 C ASN A 25 19.282 8.180 3.737 1.00 0.00 C ATOM 430 O ASN A 25 20.135 8.144 4.623 1.00 0.00 O ATOM 431 CB ASN A 25 18.308 6.100 2.747 1.00 0.00 C ATOM 432 CG ASN A 25 19.559 5.294 3.037 1.00 0.00 C ATOM 433 OD1 ASN A 25 19.664 4.642 4.075 1.00 0.00 O ATOM 434 ND2 ASN A 25 20.516 5.336 2.117 1.00 0.00 N ATOM 0 H ASN A 25 16.482 7.775 2.532 1.00 0.00 H new ATOM 0 HA ASN A 25 18.011 6.797 4.758 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.442 5.438 2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.376 6.524 1.745 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.381 4.814 2.257 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.386 5.890 1.271 1.00 0.00 H new ATOM 441 N GLU A 26 19.331 9.033 2.718 1.00 0.00 N ATOM 442 CA GLU A 26 20.417 9.997 2.581 1.00 0.00 C ATOM 443 C GLU A 26 20.581 10.816 3.857 1.00 0.00 C ATOM 444 O GLU A 26 21.691 10.983 4.364 1.00 0.00 O ATOM 445 CB GLU A 26 20.156 10.927 1.394 1.00 0.00 C ATOM 446 CG GLU A 26 21.407 11.616 0.875 1.00 0.00 C ATOM 447 CD GLU A 26 21.578 13.015 1.437 1.00 0.00 C ATOM 448 OE1 GLU A 26 20.735 13.884 1.133 1.00 0.00 O ATOM 449 OE2 GLU A 26 22.555 13.239 2.181 1.00 0.00 O ATOM 0 H GLU A 26 18.632 9.076 1.976 1.00 0.00 H new ATOM 0 HA GLU A 26 21.340 9.444 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.706 10.352 0.585 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.430 11.684 1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 26 22.280 11.016 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.364 11.668 -0.213 1.00 0.00 H new ATOM 456 N THR A 27 19.468 11.328 4.372 1.00 0.00 N ATOM 457 CA THR A 27 19.487 12.132 5.588 1.00 0.00 C ATOM 458 C THR A 27 18.081 12.574 5.977 1.00 0.00 C ATOM 459 O THR A 27 17.133 12.400 5.213 1.00 0.00 O ATOM 460 CB THR A 27 20.377 13.379 5.423 1.00 0.00 C ATOM 461 OG1 THR A 27 20.662 13.597 4.037 1.00 0.00 O ATOM 462 CG2 THR A 27 21.678 13.220 6.194 1.00 0.00 C ATOM 0 H THR A 27 18.541 11.200 3.966 1.00 0.00 H new ATOM 0 HA THR A 27 19.898 11.502 6.377 1.00 0.00 H new ATOM 0 HB THR A 27 19.839 14.238 5.822 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.621 13.474 3.877 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.290 14.112 6.063 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.459 13.083 7.253 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.219 12.351 5.820 1.00 0.00 H new ATOM 470 N GLN A 28 17.954 13.146 7.171 1.00 0.00 N ATOM 471 CA GLN A 28 16.663 13.612 7.661 1.00 0.00 C ATOM 472 C GLN A 28 16.514 15.116 7.456 1.00 0.00 C ATOM 473 O GLN A 28 16.071 15.834 8.353 1.00 0.00 O ATOM 474 CB GLN A 28 16.501 13.269 9.142 1.00 0.00 C ATOM 475 CG GLN A 28 15.066 12.974 9.546 1.00 0.00 C ATOM 476 CD GLN A 28 14.972 12.203 10.847 1.00 0.00 C ATOM 477 OE1 GLN A 28 14.543 12.738 11.870 1.00 0.00 O ATOM 478 NE2 GLN A 28 15.373 10.937 10.816 1.00 0.00 N ATOM 0 H GLN A 28 18.730 13.297 7.816 1.00 0.00 H new ATOM 0 HA GLN A 28 15.883 13.107 7.091 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.120 12.403 9.375 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.875 14.099 9.741 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.520 13.912 9.644 1.00 0.00 H new ATOM 0 HG3 GLN A 28 14.580 12.404 8.754 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.722 10.534 9.946 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.332 10.368 11.662 1.00 0.00 H new ATOM 487 N TYR A 29 16.887 15.586 6.271 1.00 0.00 N ATOM 488 CA TYR A 29 16.797 17.006 5.949 1.00 0.00 C ATOM 489 C TYR A 29 15.741 17.256 4.877 1.00 0.00 C ATOM 490 O TYR A 29 16.048 17.455 3.701 1.00 0.00 O ATOM 491 CB TYR A 29 18.154 17.530 5.477 1.00 0.00 C ATOM 492 CG TYR A 29 19.287 17.222 6.429 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.137 17.401 7.799 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.508 16.753 5.960 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.170 17.122 8.673 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.545 16.470 6.826 1.00 0.00 C ATOM 497 CZ TYR A 29 21.372 16.656 8.182 1.00 0.00 C ATOM 498 OH TYR A 29 22.404 16.377 9.049 1.00 0.00 O ATOM 0 H TYR A 29 17.254 15.005 5.517 1.00 0.00 H new ATOM 0 HA TYR A 29 16.503 17.540 6.853 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.382 17.098 4.503 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.089 18.609 5.340 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.197 17.764 8.187 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.648 16.607 4.899 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.037 17.268 9.735 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.487 16.105 6.444 1.00 0.00 H new ATOM 0 HH TYR A 29 23.180 16.057 8.542 1.00 0.00 H new ATOM 508 N PRO A 30 14.465 17.247 5.291 1.00 0.00 N ATOM 509 CA PRO A 30 13.337 17.472 4.383 1.00 0.00 C ATOM 510 C PRO A 30 13.269 18.914 3.890 1.00 0.00 C ATOM 511 O PRO A 30 12.458 19.706 4.369 1.00 0.00 O ATOM 512 CB PRO A 30 12.116 17.145 5.247 1.00 0.00 C ATOM 513 CG PRO A 30 12.568 17.381 6.647 1.00 0.00 C ATOM 514 CD PRO A 30 14.026 17.017 6.678 1.00 0.00 C ATOM 0 HA PRO A 30 13.413 16.866 3.480 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.269 17.782 4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.794 16.113 5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.419 18.422 6.935 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.999 16.772 7.349 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.580 17.637 7.383 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.175 15.980 6.980 1.00 0.00 H new ATOM 522 N ASP A 31 14.124 19.246 2.929 1.00 0.00 N ATOM 523 CA ASP A 31 14.160 20.592 2.369 1.00 0.00 C ATOM 524 C ASP A 31 14.027 20.552 0.850 1.00 0.00 C ATOM 525 O ASP A 31 14.009 19.479 0.246 1.00 0.00 O ATOM 526 CB ASP A 31 15.460 21.296 2.762 1.00 0.00 C ATOM 527 CG ASP A 31 15.656 21.354 4.264 1.00 0.00 C ATOM 528 OD1 ASP A 31 14.698 21.728 4.973 1.00 0.00 O ATOM 529 OD2 ASP A 31 16.767 21.026 4.730 1.00 0.00 O ATOM 0 H ASP A 31 14.801 18.602 2.522 1.00 0.00 H new ATOM 0 HA ASP A 31 13.317 21.151 2.775 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.303 20.775 2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.457 22.309 2.360 1.00 0.00 H new ATOM 534 N VAL A 32 13.934 21.728 0.238 1.00 0.00 N ATOM 535 CA VAL A 32 13.803 21.828 -1.211 1.00 0.00 C ATOM 536 C VAL A 32 14.901 21.042 -1.917 1.00 0.00 C ATOM 537 O VAL A 32 14.644 20.328 -2.887 1.00 0.00 O ATOM 538 CB VAL A 32 13.853 23.294 -1.679 1.00 0.00 C ATOM 539 CG1 VAL A 32 12.580 24.026 -1.281 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.079 23.993 -1.111 1.00 0.00 C ATOM 0 H VAL A 32 13.947 22.625 0.723 1.00 0.00 H new ATOM 0 HA VAL A 32 12.833 21.405 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 32 13.926 23.307 -2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.634 25.060 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.721 23.538 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.472 24.005 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.098 25.028 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.039 23.970 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.980 23.482 -1.452 1.00 0.00 H new ATOM 550 N PHE A 33 16.128 21.178 -1.425 1.00 0.00 N ATOM 551 CA PHE A 33 17.268 20.481 -2.010 1.00 0.00 C ATOM 552 C PHE A 33 17.021 18.975 -2.053 1.00 0.00 C ATOM 553 O PHE A 33 17.614 18.261 -2.861 1.00 0.00 O ATOM 554 CB PHE A 33 18.539 20.777 -1.211 1.00 0.00 C ATOM 555 CG PHE A 33 19.659 21.325 -2.049 1.00 0.00 C ATOM 556 CD1 PHE A 33 19.464 22.442 -2.845 1.00 0.00 C ATOM 557 CD2 PHE A 33 20.907 20.723 -2.039 1.00 0.00 C ATOM 558 CE1 PHE A 33 20.493 22.947 -3.617 1.00 0.00 C ATOM 559 CE2 PHE A 33 21.940 21.224 -2.809 1.00 0.00 C ATOM 560 CZ PHE A 33 21.733 22.338 -3.598 1.00 0.00 C ATOM 0 H PHE A 33 16.359 21.764 -0.623 1.00 0.00 H new ATOM 0 HA PHE A 33 17.397 20.840 -3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.304 21.490 -0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 33 18.874 19.861 -0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.497 22.923 -2.862 1.00 0.00 H new ATOM 0 HD2 PHE A 33 21.075 19.852 -1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.328 23.817 -4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 33 22.908 20.745 -2.793 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.539 22.733 -4.199 1.00 0.00 H new ATOM 570 N ALA A 34 16.141 18.501 -1.177 1.00 0.00 N ATOM 571 CA ALA A 34 15.814 17.082 -1.116 1.00 0.00 C ATOM 572 C ALA A 34 14.692 16.735 -2.088 1.00 0.00 C ATOM 573 O ALA A 34 14.892 15.975 -3.035 1.00 0.00 O ATOM 574 CB ALA A 34 15.426 16.691 0.303 1.00 0.00 C ATOM 0 H ALA A 34 15.642 19.079 -0.500 1.00 0.00 H new ATOM 0 HA ALA A 34 16.699 16.517 -1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.184 15.629 0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.258 16.894 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.557 17.270 0.615 1.00 0.00 H new ATOM 580 N ARG A 35 13.511 17.295 -1.846 1.00 0.00 N ATOM 581 CA ARG A 35 12.356 17.043 -2.699 1.00 0.00 C ATOM 582 C ARG A 35 12.671 17.380 -4.154 1.00 0.00 C ATOM 583 O ARG A 35 12.364 16.607 -5.060 1.00 0.00 O ATOM 584 CB ARG A 35 11.155 17.861 -2.223 1.00 0.00 C ATOM 585 CG ARG A 35 11.441 19.349 -2.101 1.00 0.00 C ATOM 586 CD ARG A 35 10.290 20.085 -1.434 1.00 0.00 C ATOM 587 NE ARG A 35 10.046 21.389 -2.046 1.00 0.00 N ATOM 588 CZ ARG A 35 9.387 22.372 -1.443 1.00 0.00 C ATOM 589 NH1 ARG A 35 8.909 22.200 -0.218 1.00 0.00 N ATOM 590 NH2 ARG A 35 9.206 23.530 -2.064 1.00 0.00 N ATOM 0 H ARG A 35 13.329 17.926 -1.066 1.00 0.00 H new ATOM 0 HA ARG A 35 12.112 15.983 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.328 17.714 -2.918 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.829 17.482 -1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.353 19.499 -1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.618 19.769 -3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.386 19.479 -1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.510 20.217 -0.375 1.00 0.00 H new ATOM 0 HE ARG A 35 10.401 21.554 -2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.047 21.311 0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.403 22.956 0.243 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.573 23.666 -3.006 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.700 24.284 -1.600 1.00 0.00 H new ATOM 604 N GLU A 36 13.285 18.540 -4.367 1.00 0.00 N ATOM 605 CA GLU A 36 13.639 18.980 -5.712 1.00 0.00 C ATOM 606 C GLU A 36 14.611 18.002 -6.365 1.00 0.00 C ATOM 607 O GLU A 36 14.691 17.915 -7.591 1.00 0.00 O ATOM 608 CB GLU A 36 14.259 20.379 -5.668 1.00 0.00 C ATOM 609 CG GLU A 36 14.511 20.975 -7.042 1.00 0.00 C ATOM 610 CD GLU A 36 14.619 22.488 -7.011 1.00 0.00 C ATOM 611 OE1 GLU A 36 13.629 23.145 -6.627 1.00 0.00 O ATOM 612 OE2 GLU A 36 15.693 23.014 -7.369 1.00 0.00 O ATOM 0 H GLU A 36 13.547 19.191 -3.627 1.00 0.00 H new ATOM 0 HA GLU A 36 12.727 19.013 -6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.599 21.042 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.202 20.333 -5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.430 20.557 -7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.702 20.686 -7.713 1.00 0.00 H new ATOM 619 N ARG A 37 15.349 17.268 -5.538 1.00 0.00 N ATOM 620 CA ARG A 37 16.316 16.297 -6.035 1.00 0.00 C ATOM 621 C ARG A 37 15.621 15.012 -6.475 1.00 0.00 C ATOM 622 O ARG A 37 15.653 14.647 -7.650 1.00 0.00 O ATOM 623 CB ARG A 37 17.356 15.984 -4.957 1.00 0.00 C ATOM 624 CG ARG A 37 18.422 14.999 -5.407 1.00 0.00 C ATOM 625 CD ARG A 37 19.039 14.267 -4.225 1.00 0.00 C ATOM 626 NE ARG A 37 20.150 15.013 -3.640 1.00 0.00 N ATOM 627 CZ ARG A 37 20.620 14.792 -2.417 1.00 0.00 C ATOM 628 NH1 ARG A 37 20.078 13.853 -1.654 1.00 0.00 N ATOM 629 NH2 ARG A 37 21.635 15.512 -1.955 1.00 0.00 N ATOM 0 H ARG A 37 15.295 17.328 -4.521 1.00 0.00 H new ATOM 0 HA ARG A 37 16.818 16.732 -6.900 1.00 0.00 H new ATOM 0 HB2 ARG A 37 17.838 16.912 -4.649 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.848 15.582 -4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.984 14.276 -6.095 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.201 15.529 -5.955 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.276 14.097 -3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.390 13.287 -4.548 1.00 0.00 H new ATOM 0 HE ARG A 37 20.589 15.743 -4.201 1.00 0.00 H new ATOM 0 HH11 ARG A 37 19.298 13.298 -2.005 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.441 13.686 -0.716 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.055 16.235 -2.539 1.00 0.00 H new ATOM 0 HH22 ARG A 37 21.995 15.342 -1.016 1.00 0.00 H new ATOM 643 N VAL A 38 14.993 14.329 -5.522 1.00 0.00 N ATOM 644 CA VAL A 38 14.290 13.085 -5.811 1.00 0.00 C ATOM 645 C VAL A 38 13.275 13.275 -6.933 1.00 0.00 C ATOM 646 O VAL A 38 12.912 12.323 -7.623 1.00 0.00 O ATOM 647 CB VAL A 38 13.564 12.549 -4.563 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.551 11.884 -3.615 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.811 13.669 -3.862 1.00 0.00 C ATOM 0 H VAL A 38 14.957 14.617 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 38 15.042 12.361 -6.124 1.00 0.00 H new ATOM 0 HB VAL A 38 12.840 11.799 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.020 11.512 -2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.040 11.053 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.301 12.610 -3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.304 13.272 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.514 14.444 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.075 14.095 -4.544 1.00 0.00 H new ATOM 659 N ALA A 39 12.821 14.512 -7.110 1.00 0.00 N ATOM 660 CA ALA A 39 11.850 14.828 -8.150 1.00 0.00 C ATOM 661 C ALA A 39 12.363 14.410 -9.524 1.00 0.00 C ATOM 662 O ALA A 39 11.580 14.080 -10.415 1.00 0.00 O ATOM 663 CB ALA A 39 11.525 16.314 -8.135 1.00 0.00 C ATOM 0 H ALA A 39 13.110 15.311 -6.546 1.00 0.00 H new ATOM 0 HA ALA A 39 10.939 14.267 -7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.799 16.535 -8.917 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.108 16.586 -7.165 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.435 16.887 -8.312 1.00 0.00 H new ATOM 669 N ASP A 40 13.681 14.429 -9.690 1.00 0.00 N ATOM 670 CA ASP A 40 14.298 14.052 -10.956 1.00 0.00 C ATOM 671 C ASP A 40 14.492 12.541 -11.038 1.00 0.00 C ATOM 672 O ASP A 40 14.721 11.993 -12.116 1.00 0.00 O ATOM 673 CB ASP A 40 15.642 14.761 -11.124 1.00 0.00 C ATOM 674 CG ASP A 40 16.082 14.833 -12.573 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.691 15.797 -13.265 1.00 0.00 O ATOM 676 OD2 ASP A 40 16.818 13.926 -13.015 1.00 0.00 O ATOM 0 H ASP A 40 14.343 14.702 -8.963 1.00 0.00 H new ATOM 0 HA ASP A 40 13.631 14.359 -11.762 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.570 15.770 -10.719 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.401 14.237 -10.543 1.00 0.00 H new ATOM 681 N GLN A 41 14.399 11.875 -9.891 1.00 0.00 N ATOM 682 CA GLN A 41 14.567 10.428 -9.834 1.00 0.00 C ATOM 683 C GLN A 41 13.304 9.714 -10.304 1.00 0.00 C ATOM 684 O GLN A 41 13.358 8.848 -11.178 1.00 0.00 O ATOM 685 CB GLN A 41 14.914 9.990 -8.410 1.00 0.00 C ATOM 686 CG GLN A 41 16.298 10.429 -7.958 1.00 0.00 C ATOM 687 CD GLN A 41 17.404 9.590 -8.567 1.00 0.00 C ATOM 688 OE1 GLN A 41 18.079 10.017 -9.504 1.00 0.00 O ATOM 689 NE2 GLN A 41 17.595 8.387 -8.038 1.00 0.00 N ATOM 0 H GLN A 41 14.209 12.314 -8.990 1.00 0.00 H new ATOM 0 HA GLN A 41 15.385 10.156 -10.501 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.171 10.395 -7.723 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.848 8.904 -8.347 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.450 11.474 -8.228 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.357 10.368 -6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 41 17.012 8.073 -7.262 1.00 0.00 H new ATOM 0 HE22 GLN A 41 18.324 7.777 -8.408 1.00 0.00 H new ATOM 698 N ILE A 42 12.169 10.083 -9.720 1.00 0.00 N ATOM 699 CA ILE A 42 10.893 9.478 -10.080 1.00 0.00 C ATOM 700 C ILE A 42 10.216 10.254 -11.205 1.00 0.00 C ATOM 701 O ILE A 42 9.175 9.842 -11.717 1.00 0.00 O ATOM 702 CB ILE A 42 9.940 9.411 -8.872 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.309 10.781 -8.617 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.685 8.927 -7.637 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.233 10.762 -7.553 1.00 0.00 C ATOM 0 H ILE A 42 12.107 10.798 -8.995 1.00 0.00 H new ATOM 0 HA ILE A 42 11.108 8.464 -10.418 1.00 0.00 H new ATOM 0 HB ILE A 42 9.144 8.701 -9.094 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.089 11.482 -8.321 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.882 11.154 -9.548 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.999 8.885 -6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.092 7.933 -7.824 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.499 9.616 -7.410 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.830 11.767 -7.425 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.433 10.086 -7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.660 10.419 -6.610 1.00 0.00 H new ATOM 717 N ARG A 43 10.815 11.377 -11.586 1.00 0.00 N ATOM 718 CA ARG A 43 10.270 12.210 -12.651 1.00 0.00 C ATOM 719 C ARG A 43 8.957 12.857 -12.218 1.00 0.00 C ATOM 720 O ARG A 43 7.924 12.686 -12.868 1.00 0.00 O ATOM 721 CB ARG A 43 10.048 11.378 -13.916 1.00 0.00 C ATOM 722 CG ARG A 43 9.920 12.213 -15.179 1.00 0.00 C ATOM 723 CD ARG A 43 11.192 12.999 -15.460 1.00 0.00 C ATOM 724 NE ARG A 43 11.151 13.660 -16.761 1.00 0.00 N ATOM 725 CZ ARG A 43 12.138 14.413 -17.234 1.00 0.00 C ATOM 726 NH1 ARG A 43 13.237 14.599 -16.516 1.00 0.00 N ATOM 727 NH2 ARG A 43 12.026 14.982 -18.427 1.00 0.00 N ATOM 0 H ARG A 43 11.678 11.731 -11.173 1.00 0.00 H new ATOM 0 HA ARG A 43 10.991 12.999 -12.865 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.879 10.682 -14.033 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.145 10.779 -13.793 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.699 11.563 -16.025 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.081 12.901 -15.078 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.337 13.745 -14.679 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.049 12.327 -15.422 1.00 0.00 H new ATOM 0 HE ARG A 43 10.319 13.537 -17.338 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.326 14.163 -15.598 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.993 15.178 -16.882 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.182 14.842 -18.982 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.784 15.560 -18.790 1.00 0.00 H new ATOM 741 N LEU A 44 9.004 13.599 -11.117 1.00 0.00 N ATOM 742 CA LEU A 44 7.818 14.271 -10.597 1.00 0.00 C ATOM 743 C LEU A 44 8.154 15.683 -10.130 1.00 0.00 C ATOM 744 O LEU A 44 9.323 16.029 -9.959 1.00 0.00 O ATOM 745 CB LEU A 44 7.219 13.468 -9.440 1.00 0.00 C ATOM 746 CG LEU A 44 5.835 13.909 -8.963 1.00 0.00 C ATOM 747 CD1 LEU A 44 4.849 13.915 -10.120 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.343 13.002 -7.845 1.00 0.00 C ATOM 0 H LEU A 44 9.850 13.751 -10.567 1.00 0.00 H new ATOM 0 HA LEU A 44 7.086 14.339 -11.402 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.161 12.422 -9.742 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.906 13.519 -8.595 1.00 0.00 H new ATOM 0 HG LEU A 44 5.912 14.924 -8.573 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.869 14.231 -9.762 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.195 14.606 -10.889 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.775 12.912 -10.540 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.357 13.330 -7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.282 11.976 -8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.038 13.049 -7.006 1.00 0.00 H new ATOM 760 N GLN A 45 7.121 16.494 -9.923 1.00 0.00 N ATOM 761 CA GLN A 45 7.308 17.868 -9.474 1.00 0.00 C ATOM 762 C GLN A 45 8.120 17.914 -8.184 1.00 0.00 C ATOM 763 O GLN A 45 8.112 16.966 -7.400 1.00 0.00 O ATOM 764 CB GLN A 45 5.953 18.546 -9.261 1.00 0.00 C ATOM 765 CG GLN A 45 5.637 19.612 -10.298 1.00 0.00 C ATOM 766 CD GLN A 45 6.479 20.860 -10.128 1.00 0.00 C ATOM 767 OE1 GLN A 45 6.112 21.775 -9.390 1.00 0.00 O ATOM 768 NE2 GLN A 45 7.617 20.905 -10.811 1.00 0.00 N ATOM 0 H GLN A 45 6.147 16.223 -10.059 1.00 0.00 H new ATOM 0 HA GLN A 45 7.858 18.404 -10.247 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.170 17.788 -9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.934 18.998 -8.269 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.799 19.202 -11.295 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.582 19.878 -10.230 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.883 20.124 -11.411 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.225 21.720 -10.735 1.00 0.00 H new ATOM 777 N GLU A 46 8.821 19.024 -7.970 1.00 0.00 N ATOM 778 CA GLU A 46 9.640 19.192 -6.776 1.00 0.00 C ATOM 779 C GLU A 46 8.765 19.390 -5.541 1.00 0.00 C ATOM 780 O GLU A 46 9.037 18.831 -4.478 1.00 0.00 O ATOM 781 CB GLU A 46 10.585 20.383 -6.941 1.00 0.00 C ATOM 782 CG GLU A 46 9.869 21.695 -7.213 1.00 0.00 C ATOM 783 CD GLU A 46 10.737 22.689 -7.961 1.00 0.00 C ATOM 784 OE1 GLU A 46 11.427 22.274 -8.916 1.00 0.00 O ATOM 785 OE2 GLU A 46 10.724 23.882 -7.592 1.00 0.00 O ATOM 0 H GLU A 46 8.838 19.819 -8.608 1.00 0.00 H new ATOM 0 HA GLU A 46 10.231 18.286 -6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.186 20.487 -6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.274 20.178 -7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.966 21.499 -7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.552 22.135 -6.267 1.00 0.00 H new ATOM 792 N SER A 47 7.715 20.191 -5.689 1.00 0.00 N ATOM 793 CA SER A 47 6.803 20.467 -4.585 1.00 0.00 C ATOM 794 C SER A 47 5.756 19.365 -4.456 1.00 0.00 C ATOM 795 O SER A 47 5.154 19.186 -3.397 1.00 0.00 O ATOM 796 CB SER A 47 6.114 21.818 -4.792 1.00 0.00 C ATOM 797 OG SER A 47 5.345 21.822 -5.982 1.00 0.00 O ATOM 0 H SER A 47 7.475 20.660 -6.562 1.00 0.00 H new ATOM 0 HA SER A 47 7.386 20.500 -3.664 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.471 22.036 -3.939 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.863 22.609 -4.837 1.00 0.00 H new ATOM 0 HG SER A 47 4.914 22.695 -6.090 1.00 0.00 H new ATOM 803 N ARG A 48 5.546 18.627 -5.542 1.00 0.00 N ATOM 804 CA ARG A 48 4.572 17.542 -5.551 1.00 0.00 C ATOM 805 C ARG A 48 5.139 16.297 -4.876 1.00 0.00 C ATOM 806 O ARG A 48 4.466 15.658 -4.066 1.00 0.00 O ATOM 807 CB ARG A 48 4.157 17.214 -6.986 1.00 0.00 C ATOM 808 CG ARG A 48 3.060 16.166 -7.078 1.00 0.00 C ATOM 809 CD ARG A 48 1.776 16.644 -6.418 1.00 0.00 C ATOM 810 NE ARG A 48 1.277 17.876 -7.022 1.00 0.00 N ATOM 811 CZ ARG A 48 0.386 18.671 -6.440 1.00 0.00 C ATOM 812 NH1 ARG A 48 -0.101 18.364 -5.245 1.00 0.00 N ATOM 813 NH2 ARG A 48 -0.020 19.776 -7.052 1.00 0.00 N ATOM 0 H ARG A 48 6.037 18.761 -6.426 1.00 0.00 H new ATOM 0 HA ARG A 48 3.695 17.869 -4.992 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.817 18.127 -7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.030 16.863 -7.537 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.867 15.931 -8.125 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.394 15.245 -6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.016 15.867 -6.498 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.954 16.807 -5.355 1.00 0.00 H new ATOM 0 HE ARG A 48 1.632 18.141 -7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.209 17.516 -4.771 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.785 18.976 -4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.352 20.016 -7.971 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.704 20.385 -6.604 1.00 0.00 H new ATOM 827 N ILE A 49 6.378 15.959 -5.215 1.00 0.00 N ATOM 828 CA ILE A 49 7.035 14.791 -4.641 1.00 0.00 C ATOM 829 C ILE A 49 6.987 14.827 -3.117 1.00 0.00 C ATOM 830 O ILE A 49 7.081 13.791 -2.460 1.00 0.00 O ATOM 831 CB ILE A 49 8.503 14.690 -5.096 1.00 0.00 C ATOM 832 CG1 ILE A 49 8.908 13.224 -5.264 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.415 15.386 -4.097 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.304 13.043 -5.816 1.00 0.00 C ATOM 0 H ILE A 49 6.947 16.477 -5.884 1.00 0.00 H new ATOM 0 HA ILE A 49 6.492 13.916 -4.998 1.00 0.00 H new ATOM 0 HB ILE A 49 8.605 15.188 -6.060 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.840 12.724 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.197 12.733 -5.928 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.449 15.306 -4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.138 16.437 -4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.312 14.913 -3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.524 11.979 -5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.371 13.514 -6.797 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.025 13.505 -5.141 1.00 0.00 H new ATOM 846 N GLN A 50 6.840 16.026 -2.563 1.00 0.00 N ATOM 847 CA GLN A 50 6.780 16.196 -1.117 1.00 0.00 C ATOM 848 C GLN A 50 5.648 15.368 -0.518 1.00 0.00 C ATOM 849 O GLN A 50 5.813 14.733 0.524 1.00 0.00 O ATOM 850 CB GLN A 50 6.589 17.672 -0.763 1.00 0.00 C ATOM 851 CG GLN A 50 7.621 18.201 0.221 1.00 0.00 C ATOM 852 CD GLN A 50 7.334 19.623 0.660 1.00 0.00 C ATOM 853 OE1 GLN A 50 6.464 20.293 0.102 1.00 0.00 O ATOM 854 NE2 GLN A 50 8.065 20.092 1.664 1.00 0.00 N ATOM 0 H GLN A 50 6.760 16.893 -3.094 1.00 0.00 H new ATOM 0 HA GLN A 50 7.723 15.847 -0.697 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.633 18.265 -1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.593 17.810 -0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.648 17.553 1.097 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.609 18.159 -0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.775 19.502 2.097 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.916 21.043 2.002 1.00 0.00 H new ATOM 863 N VAL A 51 4.497 15.379 -1.183 1.00 0.00 N ATOM 864 CA VAL A 51 3.337 14.628 -0.717 1.00 0.00 C ATOM 865 C VAL A 51 3.615 13.129 -0.724 1.00 0.00 C ATOM 866 O VAL A 51 3.101 12.389 0.115 1.00 0.00 O ATOM 867 CB VAL A 51 2.098 14.914 -1.585 1.00 0.00 C ATOM 868 CG1 VAL A 51 1.940 16.409 -1.816 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.191 14.169 -2.908 1.00 0.00 C ATOM 0 H VAL A 51 4.343 15.900 -2.046 1.00 0.00 H new ATOM 0 HA VAL A 51 3.138 14.953 0.304 1.00 0.00 H new ATOM 0 HB VAL A 51 1.215 14.558 -1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.059 16.591 -2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.824 16.915 -0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.824 16.794 -2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.307 14.383 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.082 14.492 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.251 13.097 -2.719 1.00 0.00 H new ATOM 879 N TRP A 52 4.430 12.688 -1.675 1.00 0.00 N ATOM 880 CA TRP A 52 4.776 11.276 -1.791 1.00 0.00 C ATOM 881 C TRP A 52 5.937 10.923 -0.869 1.00 0.00 C ATOM 882 O TRP A 52 6.155 9.754 -0.550 1.00 0.00 O ATOM 883 CB TRP A 52 5.136 10.935 -3.238 1.00 0.00 C ATOM 884 CG TRP A 52 3.946 10.587 -4.080 1.00 0.00 C ATOM 885 CD1 TRP A 52 3.107 11.459 -4.714 1.00 0.00 C ATOM 886 CD2 TRP A 52 3.462 9.273 -4.379 1.00 0.00 C ATOM 887 NE1 TRP A 52 2.130 10.765 -5.388 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.327 9.423 -5.199 1.00 0.00 C ATOM 889 CE3 TRP A 52 3.879 7.984 -4.035 1.00 0.00 C ATOM 890 CZ2 TRP A 52 1.605 8.333 -5.677 1.00 0.00 C ATOM 891 CZ3 TRP A 52 3.161 6.903 -4.510 1.00 0.00 C ATOM 892 CH2 TRP A 52 2.035 7.082 -5.325 1.00 0.00 C ATOM 0 H TRP A 52 4.864 13.288 -2.377 1.00 0.00 H new ATOM 0 HA TRP A 52 3.908 10.689 -1.492 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.653 11.784 -3.686 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.834 10.097 -3.244 1.00 0.00 H new ATOM 0 HD1 TRP A 52 3.198 12.535 -4.689 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.380 11.182 -5.939 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.747 7.836 -3.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.736 8.470 -6.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.473 5.903 -4.249 1.00 0.00 H new ATOM 0 HH2 TRP A 52 1.496 6.217 -5.682 1.00 0.00 H new ATOM 903 N PHE A 53 6.679 11.939 -0.443 1.00 0.00 N ATOM 904 CA PHE A 53 7.819 11.735 0.443 1.00 0.00 C ATOM 905 C PHE A 53 7.390 11.038 1.731 1.00 0.00 C ATOM 906 O PHE A 53 8.211 10.457 2.440 1.00 0.00 O ATOM 907 CB PHE A 53 8.483 13.074 0.771 1.00 0.00 C ATOM 908 CG PHE A 53 9.650 12.950 1.710 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.664 12.040 1.460 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.732 13.745 2.842 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.737 11.924 2.322 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.804 13.634 3.707 1.00 0.00 C ATOM 913 CZ PHE A 53 11.808 12.723 3.447 1.00 0.00 C ATOM 0 H PHE A 53 6.511 12.913 -0.697 1.00 0.00 H new ATOM 0 HA PHE A 53 8.538 11.097 -0.072 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.820 13.540 -0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.741 13.740 1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.615 11.414 0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.949 14.459 3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.520 11.209 2.117 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.856 14.260 4.586 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.647 12.635 4.121 1.00 0.00 H new ATOM 923 N LYS A 54 6.096 11.102 2.027 1.00 0.00 N ATOM 924 CA LYS A 54 5.554 10.478 3.228 1.00 0.00 C ATOM 925 C LYS A 54 5.163 9.028 2.959 1.00 0.00 C ATOM 926 O LYS A 54 4.978 8.243 3.887 1.00 0.00 O ATOM 927 CB LYS A 54 4.338 11.260 3.730 1.00 0.00 C ATOM 928 CG LYS A 54 4.297 11.417 5.240 1.00 0.00 C ATOM 929 CD LYS A 54 2.904 11.159 5.790 1.00 0.00 C ATOM 930 CE LYS A 54 2.852 11.370 7.296 1.00 0.00 C ATOM 931 NZ LYS A 54 2.109 10.277 7.983 1.00 0.00 N ATOM 0 H LYS A 54 5.403 11.580 1.451 1.00 0.00 H new ATOM 0 HA LYS A 54 6.329 10.491 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.337 12.248 3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.430 10.754 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.004 10.725 5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.615 12.424 5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.190 11.824 5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.601 10.139 5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.867 11.423 7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.375 12.326 7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.561 10.673 8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.463 9.819 7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.784 9.574 8.347 1.00 0.00 H new ATOM 945 N ASN A 55 5.042 8.680 1.682 1.00 0.00 N ATOM 946 CA ASN A 55 4.674 7.324 1.291 1.00 0.00 C ATOM 947 C ASN A 55 5.361 6.295 2.184 1.00 0.00 C ATOM 948 O ASN A 55 4.714 5.633 2.995 1.00 0.00 O ATOM 949 CB ASN A 55 5.045 7.075 -0.173 1.00 0.00 C ATOM 950 CG ASN A 55 4.936 5.611 -0.555 1.00 0.00 C ATOM 951 OD1 ASN A 55 3.926 4.961 -0.287 1.00 0.00 O ATOM 952 ND2 ASN A 55 5.981 5.086 -1.185 1.00 0.00 N ATOM 0 H ASN A 55 5.193 9.318 0.901 1.00 0.00 H new ATOM 0 HA ASN A 55 3.596 7.218 1.409 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.392 7.665 -0.816 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.064 7.419 -0.351 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.967 4.106 -1.467 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.798 5.663 -1.387 1.00 0.00 H new ATOM 959 N ARG A 56 6.674 6.168 2.028 1.00 0.00 N ATOM 960 CA ARG A 56 7.449 5.220 2.819 1.00 0.00 C ATOM 961 C ARG A 56 7.874 5.839 4.147 1.00 0.00 C ATOM 962 O ARG A 56 7.840 5.183 5.189 1.00 0.00 O ATOM 963 CB ARG A 56 8.683 4.761 2.040 1.00 0.00 C ATOM 964 CG ARG A 56 9.162 3.370 2.422 1.00 0.00 C ATOM 965 CD ARG A 56 10.582 3.398 2.965 1.00 0.00 C ATOM 966 NE ARG A 56 10.851 2.272 3.854 1.00 0.00 N ATOM 967 CZ ARG A 56 12.070 1.921 4.247 1.00 0.00 C ATOM 968 NH1 ARG A 56 13.127 2.604 3.831 1.00 0.00 N ATOM 969 NH2 ARG A 56 12.234 0.883 5.058 1.00 0.00 N ATOM 0 H ARG A 56 7.224 6.710 1.361 1.00 0.00 H new ATOM 0 HA ARG A 56 6.817 4.357 3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.456 4.778 0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.492 5.473 2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.493 2.947 3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.118 2.717 1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.288 3.381 2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.746 4.332 3.503 1.00 0.00 H new ATOM 0 HE ARG A 56 10.059 1.725 4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.005 3.402 3.207 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.062 2.332 4.135 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.423 0.354 5.380 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.171 0.614 5.359 1.00 0.00 H new ATOM 983 N ARG A 57 8.275 7.105 4.102 1.00 0.00 N ATOM 984 CA ARG A 57 8.708 7.813 5.301 1.00 0.00 C ATOM 985 C ARG A 57 7.700 7.634 6.432 1.00 0.00 C ATOM 986 O ARG A 57 8.065 7.628 7.607 1.00 0.00 O ATOM 987 CB ARG A 57 8.896 9.301 5.001 1.00 0.00 C ATOM 988 CG ARG A 57 9.168 10.142 6.237 1.00 0.00 C ATOM 989 CD ARG A 57 7.905 10.827 6.734 1.00 0.00 C ATOM 990 NE ARG A 57 8.199 12.071 7.441 1.00 0.00 N ATOM 991 CZ ARG A 57 7.346 12.665 8.269 1.00 0.00 C ATOM 992 NH1 ARG A 57 6.153 12.131 8.492 1.00 0.00 N ATOM 993 NH2 ARG A 57 7.686 13.795 8.875 1.00 0.00 N ATOM 0 H ARG A 57 8.309 7.662 3.248 1.00 0.00 H new ATOM 0 HA ARG A 57 9.662 7.390 5.617 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.723 9.420 4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.002 9.679 4.505 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.575 9.510 7.026 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.924 10.893 6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.250 11.037 5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.364 10.152 7.397 1.00 0.00 H new ATOM 0 HE ARG A 57 9.109 12.508 7.291 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.888 11.262 8.028 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.500 12.589 9.128 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.603 14.209 8.706 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.031 14.250 9.510 1.00 0.00 H new ATOM 1007 N ALA A 58 6.430 7.491 6.068 1.00 0.00 N ATOM 1008 CA ALA A 58 5.369 7.311 7.052 1.00 0.00 C ATOM 1009 C ALA A 58 5.178 5.836 7.390 1.00 0.00 C ATOM 1010 O ALA A 58 4.841 5.487 8.521 1.00 0.00 O ATOM 1011 CB ALA A 58 4.067 7.909 6.539 1.00 0.00 C ATOM 0 H ALA A 58 6.111 7.496 5.099 1.00 0.00 H new ATOM 0 HA ALA A 58 5.661 7.831 7.964 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.283 7.768 7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.204 8.974 6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.780 7.414 5.611 1.00 0.00 H new ATOM 1017 N LYS A 59 5.396 4.974 6.403 1.00 0.00 N ATOM 1018 CA LYS A 59 5.249 3.537 6.595 1.00 0.00 C ATOM 1019 C LYS A 59 6.144 3.045 7.728 1.00 0.00 C ATOM 1020 O LYS A 59 5.898 1.990 8.314 1.00 0.00 O ATOM 1021 CB LYS A 59 5.588 2.791 5.303 1.00 0.00 C ATOM 1022 CG LYS A 59 4.375 2.201 4.604 1.00 0.00 C ATOM 1023 CD LYS A 59 3.434 3.286 4.109 1.00 0.00 C ATOM 1024 CE LYS A 59 1.982 2.839 4.177 1.00 0.00 C ATOM 1025 NZ LYS A 59 1.346 3.216 5.469 1.00 0.00 N ATOM 0 H LYS A 59 5.676 5.247 5.461 1.00 0.00 H new ATOM 0 HA LYS A 59 4.211 3.336 6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.093 3.475 4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.291 1.990 5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.701 1.589 3.763 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.843 1.542 5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.567 4.186 4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.687 3.548 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.425 3.287 3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.928 1.758 4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.357 2.894 5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.862 2.768 6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.374 4.250 5.581 1.00 0.00 H new ATOM 1039 N TYR A 60 7.182 3.816 8.032 1.00 0.00 N ATOM 1040 CA TYR A 60 8.115 3.458 9.095 1.00 0.00 C ATOM 1041 C TYR A 60 7.369 3.100 10.376 1.00 0.00 C ATOM 1042 O TYR A 60 7.841 2.294 11.178 1.00 0.00 O ATOM 1043 CB TYR A 60 9.084 4.611 9.361 1.00 0.00 C ATOM 1044 CG TYR A 60 8.586 5.594 10.396 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.489 6.408 10.139 1.00 0.00 C ATOM 1046 CD2 TYR A 60 9.212 5.711 11.631 1.00 0.00 C ATOM 1047 CE1 TYR A 60 7.031 7.308 11.081 1.00 0.00 C ATOM 1048 CE2 TYR A 60 8.760 6.607 12.580 1.00 0.00 C ATOM 1049 CZ TYR A 60 7.669 7.403 12.300 1.00 0.00 C ATOM 1050 OH TYR A 60 7.216 8.298 13.242 1.00 0.00 O ATOM 0 H TYR A 60 7.399 4.693 7.558 1.00 0.00 H new ATOM 0 HA TYR A 60 8.680 2.585 8.769 1.00 0.00 H new ATOM 0 HB2 TYR A 60 10.040 4.203 9.690 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.269 5.142 8.427 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.986 6.335 9.186 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.067 5.090 11.853 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.178 7.934 10.864 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.258 6.684 13.535 1.00 0.00 H new ATOM 0 HH TYR A 60 7.775 8.239 14.045 1.00 0.00 H new ATOM 1060 N ARG A 61 6.200 3.704 10.562 1.00 0.00 N ATOM 1061 CA ARG A 61 5.387 3.451 11.745 1.00 0.00 C ATOM 1062 C ARG A 61 4.649 2.121 11.623 1.00 0.00 C ATOM 1063 O ARG A 61 4.530 1.373 12.595 1.00 0.00 O ATOM 1064 CB ARG A 61 4.384 4.586 11.954 1.00 0.00 C ATOM 1065 CG ARG A 61 3.647 4.511 13.281 1.00 0.00 C ATOM 1066 CD ARG A 61 2.943 5.820 13.602 1.00 0.00 C ATOM 1067 NE ARG A 61 3.887 6.880 13.947 1.00 0.00 N ATOM 1068 CZ ARG A 61 3.563 8.167 13.991 1.00 0.00 C ATOM 1069 NH1 ARG A 61 2.325 8.553 13.714 1.00 0.00 N ATOM 1070 NH2 ARG A 61 4.479 9.072 14.312 1.00 0.00 N ATOM 0 H ARG A 61 5.794 4.373 9.907 1.00 0.00 H new ATOM 0 HA ARG A 61 6.052 3.400 12.607 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.909 5.539 11.893 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.656 4.570 11.143 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.917 3.703 13.248 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.352 4.271 14.077 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.347 6.131 12.744 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.252 5.666 14.431 1.00 0.00 H new ATOM 0 HE ARG A 61 4.848 6.617 14.166 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.618 7.861 13.466 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.079 9.542 13.749 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.433 8.779 14.525 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.230 10.060 14.346 1.00 0.00 H new ATOM 1084 N LEU A 62 4.156 1.832 10.424 1.00 0.00 N ATOM 1085 CA LEU A 62 3.429 0.592 10.174 1.00 0.00 C ATOM 1086 C LEU A 62 4.346 -0.617 10.326 1.00 0.00 C ATOM 1087 O LEU A 62 3.989 -1.600 10.976 1.00 0.00 O ATOM 1088 CB LEU A 62 2.817 0.610 8.772 1.00 0.00 C ATOM 1089 CG LEU A 62 1.526 -0.189 8.593 1.00 0.00 C ATOM 1090 CD1 LEU A 62 1.763 -1.661 8.895 1.00 0.00 C ATOM 1091 CD2 LEU A 62 0.425 0.369 9.482 1.00 0.00 C ATOM 0 H LEU A 62 4.246 2.439 9.609 1.00 0.00 H new ATOM 0 HA LEU A 62 2.630 0.513 10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.621 1.646 8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.557 0.228 8.069 1.00 0.00 H new ATOM 0 HG LEU A 62 1.207 -0.099 7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.833 -2.214 8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.519 -2.055 8.216 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.107 -1.771 9.924 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.486 -0.212 9.341 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.735 0.310 10.525 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.236 1.409 9.218 1.00 0.00 H new