USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 465 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 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.134 USER MOD Single : A 32 THR OG1 : rot -153:sc= 0.381! USER MOD Single : A 33 GLN : amide:sc=-0.000927 X(o=-0.00093,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -2.21 K(o=-2.2,f=-3.1!) USER MOD Single : A 42 ASN : amide:sc=-0.000597 X(o=-0.0006,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00214 USER MOD Single : A 49 SER OG : rot -61:sc= 0.276! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 175:sc= -1.25 (180deg=-1.41) USER MOD Single : A 63 GLN : amide:sc= 0.0203 K(o=0.02,f=-3!) USER MOD Single : A 64 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.604) USER MOD Single : A 65 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.6!) USER MOD Single : A 67 TYR OH : rot 150:sc= -0.131 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= -0.0464 (180deg=-0.349) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -110:sc= -0.15 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 306 N PRO A 21 -4.002 2.490 6.614 1.00 0.00 N ATOM 307 CA PRO A 21 -4.770 3.586 6.016 1.00 0.00 C ATOM 308 C PRO A 21 -5.398 4.494 7.068 1.00 0.00 C ATOM 309 O PRO A 21 -5.776 4.041 8.148 1.00 0.00 O ATOM 310 CB PRO A 21 -5.857 2.863 5.216 1.00 0.00 C ATOM 311 CG PRO A 21 -6.015 1.547 5.896 1.00 0.00 C ATOM 312 CD PRO A 21 -4.652 1.183 6.416 1.00 0.00 C ATOM 0 HA PRO A 21 -4.143 4.241 5.412 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.791 3.425 5.219 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.564 2.737 4.174 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.738 1.612 6.709 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.383 0.791 5.202 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.714 0.620 7.347 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.103 0.565 5.706 1.00 0.00 H new ATOM 320 N VAL A 22 -5.506 5.779 6.745 1.00 0.00 N ATOM 321 CA VAL A 22 -6.090 6.751 7.661 1.00 0.00 C ATOM 322 C VAL A 22 -7.613 6.696 7.624 1.00 0.00 C ATOM 323 O VAL A 22 -8.202 6.158 6.687 1.00 0.00 O ATOM 324 CB VAL A 22 -5.631 8.183 7.328 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.136 8.213 7.048 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.415 8.732 6.145 1.00 0.00 C ATOM 0 H VAL A 22 -5.197 6.171 5.856 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.744 6.490 8.661 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.827 8.819 8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.830 9.233 6.815 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.594 7.864 7.927 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.911 7.564 6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.078 9.745 5.923 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.252 8.097 5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.477 8.749 6.389 1.00 0.00 H new ATOM 336 N SER A 23 -8.246 7.257 8.650 1.00 0.00 N ATOM 337 CA SER A 23 -9.701 7.269 8.737 1.00 0.00 C ATOM 338 C SER A 23 -10.309 8.044 7.571 1.00 0.00 C ATOM 339 O SER A 23 -9.629 8.833 6.916 1.00 0.00 O ATOM 340 CB SER A 23 -10.149 7.885 10.063 1.00 0.00 C ATOM 341 OG SER A 23 -11.482 7.516 10.373 1.00 0.00 O ATOM 0 H SER A 23 -7.773 7.709 9.433 1.00 0.00 H new ATOM 0 HA SER A 23 -10.052 6.238 8.687 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.483 7.559 10.862 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.073 8.971 10.007 1.00 0.00 H new ATOM 0 HG SER A 23 -11.744 7.921 11.226 1.00 0.00 H new ATOM 347 N ALA A 24 -11.593 7.812 7.320 1.00 0.00 N ATOM 348 CA ALA A 24 -12.294 8.490 6.236 1.00 0.00 C ATOM 349 C ALA A 24 -11.962 9.978 6.213 1.00 0.00 C ATOM 350 O ALA A 24 -11.415 10.487 5.234 1.00 0.00 O ATOM 351 CB ALA A 24 -13.795 8.284 6.368 1.00 0.00 C ATOM 0 H ALA A 24 -12.169 7.160 7.852 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.960 8.056 5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.306 8.796 5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.021 7.219 6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.136 8.690 7.320 1.00 0.00 H new ATOM 357 N TYR A 25 -12.296 10.670 7.296 1.00 0.00 N ATOM 358 CA TYR A 25 -12.036 12.101 7.399 1.00 0.00 C ATOM 359 C TYR A 25 -10.551 12.400 7.217 1.00 0.00 C ATOM 360 O TYR A 25 -10.177 13.444 6.684 1.00 0.00 O ATOM 361 CB TYR A 25 -12.512 12.632 8.752 1.00 0.00 C ATOM 362 CG TYR A 25 -11.891 13.956 9.136 1.00 0.00 C ATOM 363 CD1 TYR A 25 -11.849 15.013 8.236 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.347 14.150 10.400 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.282 16.224 8.582 1.00 0.00 C ATOM 366 CE2 TYR A 25 -10.779 15.358 10.755 1.00 0.00 C ATOM 367 CZ TYR A 25 -10.749 16.392 9.843 1.00 0.00 C ATOM 368 OH TYR A 25 -10.184 17.597 10.192 1.00 0.00 O ATOM 0 H TYR A 25 -12.747 10.263 8.115 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.589 12.602 6.605 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.596 12.742 8.728 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.283 11.896 9.523 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.267 14.886 7.248 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.369 13.343 11.117 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.256 17.035 7.869 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.361 15.492 11.742 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.857 17.550 11.114 1.00 0.00 H new ATOM 378 N ALA A 26 -9.709 11.474 7.664 1.00 0.00 N ATOM 379 CA ALA A 26 -8.265 11.635 7.549 1.00 0.00 C ATOM 380 C ALA A 26 -7.809 11.481 6.102 1.00 0.00 C ATOM 381 O ALA A 26 -6.835 12.105 5.677 1.00 0.00 O ATOM 382 CB ALA A 26 -7.549 10.630 8.440 1.00 0.00 C ATOM 0 H ALA A 26 -10.002 10.604 8.109 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.009 12.642 7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.471 10.762 8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.843 10.789 9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.819 9.618 8.137 1.00 0.00 H new ATOM 388 N LEU A 27 -8.517 10.647 5.349 1.00 0.00 N ATOM 389 CA LEU A 27 -8.185 10.410 3.948 1.00 0.00 C ATOM 390 C LEU A 27 -8.311 11.694 3.134 1.00 0.00 C ATOM 391 O LEU A 27 -7.609 11.883 2.141 1.00 0.00 O ATOM 392 CB LEU A 27 -9.096 9.330 3.363 1.00 0.00 C ATOM 393 CG LEU A 27 -8.495 7.927 3.263 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.565 6.870 3.486 1.00 0.00 C ATOM 395 CD2 LEU A 27 -7.823 7.730 1.912 1.00 0.00 C ATOM 0 H LEU A 27 -9.325 10.123 5.685 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.151 10.070 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.998 9.275 3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.404 9.644 2.366 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.740 7.820 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.118 5.879 3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.001 6.997 4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.343 6.975 2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.401 6.726 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.559 7.857 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.027 8.465 1.791 1.00 0.00 H new ATOM 407 N PHE A 28 -9.209 12.574 3.563 1.00 0.00 N ATOM 408 CA PHE A 28 -9.427 13.841 2.875 1.00 0.00 C ATOM 409 C PHE A 28 -8.501 14.923 3.422 1.00 0.00 C ATOM 410 O PHE A 28 -8.366 15.997 2.834 1.00 0.00 O ATOM 411 CB PHE A 28 -10.885 14.281 3.020 1.00 0.00 C ATOM 412 CG PHE A 28 -11.104 15.738 2.729 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.217 16.187 1.423 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.196 16.658 3.760 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.417 17.528 1.152 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.397 18.000 3.495 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.509 18.435 2.189 1.00 0.00 C ATOM 0 H PHE A 28 -9.798 12.433 4.384 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.203 13.695 1.818 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.504 13.687 2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.221 14.067 4.034 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.148 15.482 0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.110 16.323 4.783 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.501 17.866 0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -11.466 18.707 4.308 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.668 19.482 1.979 1.00 0.00 H new ATOM 427 N PHE A 29 -7.864 14.633 4.552 1.00 0.00 N ATOM 428 CA PHE A 29 -6.951 15.581 5.181 1.00 0.00 C ATOM 429 C PHE A 29 -5.603 15.593 4.466 1.00 0.00 C ATOM 430 O PHE A 29 -5.024 16.653 4.229 1.00 0.00 O ATOM 431 CB PHE A 29 -6.756 15.231 6.657 1.00 0.00 C ATOM 432 CG PHE A 29 -5.792 16.139 7.366 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.433 16.064 7.110 1.00 0.00 C ATOM 434 CD2 PHE A 29 -6.246 17.067 8.290 1.00 0.00 C ATOM 435 CE1 PHE A 29 -3.543 16.899 7.760 1.00 0.00 C ATOM 436 CE2 PHE A 29 -5.361 17.905 8.943 1.00 0.00 C ATOM 437 CZ PHE A 29 -4.008 17.819 8.678 1.00 0.00 C ATOM 0 H PHE A 29 -7.963 13.749 5.051 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.391 16.576 5.106 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.721 15.273 7.163 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.399 14.204 6.735 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.064 15.345 6.394 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.303 17.136 8.502 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.486 16.832 7.550 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.727 18.626 9.659 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.315 18.471 9.189 1.00 0.00 H new ATOM 447 N ARG A 30 -5.109 14.407 4.127 1.00 0.00 N ATOM 448 CA ARG A 30 -3.829 14.280 3.442 1.00 0.00 C ATOM 449 C ARG A 30 -3.970 14.616 1.960 1.00 0.00 C ATOM 450 O ARG A 30 -2.976 14.815 1.261 1.00 0.00 O ATOM 451 CB ARG A 30 -3.278 12.862 3.604 1.00 0.00 C ATOM 452 CG ARG A 30 -4.268 11.776 3.217 1.00 0.00 C ATOM 453 CD ARG A 30 -3.560 10.480 2.855 1.00 0.00 C ATOM 454 NE ARG A 30 -4.142 9.851 1.672 1.00 0.00 N ATOM 455 CZ ARG A 30 -3.501 8.960 0.923 1.00 0.00 C ATOM 456 NH1 ARG A 30 -2.265 8.596 1.232 1.00 0.00 N ATOM 457 NH2 ARG A 30 -4.098 8.432 -0.138 1.00 0.00 N ATOM 0 H ARG A 30 -5.576 13.520 4.316 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.132 14.987 3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.381 12.758 2.994 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.977 12.715 4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.956 11.598 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.867 12.113 2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.504 10.682 2.676 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.615 9.790 3.697 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.092 10.110 1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.803 9.000 2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.776 7.912 0.655 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.049 8.710 -0.379 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.606 7.748 -0.713 1.00 0.00 H new ATOM 471 N ASP A 31 -5.210 14.677 1.488 1.00 0.00 N ATOM 472 CA ASP A 31 -5.481 14.989 0.089 1.00 0.00 C ATOM 473 C ASP A 31 -5.628 16.494 -0.113 1.00 0.00 C ATOM 474 O ASP A 31 -5.190 17.042 -1.125 1.00 0.00 O ATOM 475 CB ASP A 31 -6.748 14.273 -0.379 1.00 0.00 C ATOM 476 CG ASP A 31 -6.480 13.301 -1.511 1.00 0.00 C ATOM 477 OD1 ASP A 31 -6.020 12.174 -1.229 1.00 0.00 O ATOM 478 OD2 ASP A 31 -6.729 13.667 -2.678 1.00 0.00 O ATOM 0 H ASP A 31 -6.044 14.515 2.053 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.636 14.641 -0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.189 13.736 0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.480 15.012 -0.704 1.00 0.00 H new ATOM 483 N THR A 32 -6.249 17.158 0.857 1.00 0.00 N ATOM 484 CA THR A 32 -6.456 18.599 0.785 1.00 0.00 C ATOM 485 C THR A 32 -5.221 19.357 1.258 1.00 0.00 C ATOM 486 O THR A 32 -4.757 20.281 0.591 1.00 0.00 O ATOM 487 CB THR A 32 -7.667 19.035 1.632 1.00 0.00 C ATOM 488 OG1 THR A 32 -8.810 18.240 1.298 1.00 0.00 O ATOM 489 CG2 THR A 32 -7.983 20.506 1.407 1.00 0.00 C ATOM 0 H THR A 32 -6.617 16.721 1.702 1.00 0.00 H new ATOM 0 HA THR A 32 -6.647 18.839 -0.261 1.00 0.00 H new ATOM 0 HB THR A 32 -7.418 18.890 2.683 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.627 18.750 1.479 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.841 20.791 2.015 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.121 21.111 1.690 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.213 20.672 0.355 1.00 0.00 H new ATOM 497 N GLN A 33 -4.693 18.958 2.411 1.00 0.00 N ATOM 498 CA GLN A 33 -3.510 19.601 2.971 1.00 0.00 C ATOM 499 C GLN A 33 -2.542 20.016 1.869 1.00 0.00 C ATOM 500 O GLN A 33 -2.154 21.180 1.775 1.00 0.00 O ATOM 501 CB GLN A 33 -2.810 18.660 3.954 1.00 0.00 C ATOM 502 CG GLN A 33 -1.459 19.171 4.428 1.00 0.00 C ATOM 503 CD GLN A 33 -0.387 18.100 4.399 1.00 0.00 C ATOM 504 OE1 GLN A 33 -0.063 17.502 5.426 1.00 0.00 O ATOM 505 NE2 GLN A 33 0.170 17.851 3.220 1.00 0.00 N ATOM 0 H GLN A 33 -5.065 18.194 2.975 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.832 20.497 3.502 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.455 18.507 4.819 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.676 17.688 3.480 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.150 20.006 3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.556 19.555 5.443 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.129 18.371 2.395 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.897 17.140 3.139 1.00 0.00 H new ATOM 514 N ALA A 34 -2.154 19.055 1.036 1.00 0.00 N ATOM 515 CA ALA A 34 -1.232 19.321 -0.061 1.00 0.00 C ATOM 516 C ALA A 34 -1.639 20.575 -0.828 1.00 0.00 C ATOM 517 O ALA A 34 -0.801 21.421 -1.142 1.00 0.00 O ATOM 518 CB ALA A 34 -1.168 18.125 -0.999 1.00 0.00 C ATOM 0 H ALA A 34 -2.464 18.085 1.100 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.242 19.490 0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.476 18.338 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.823 17.249 -0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.159 17.929 -1.407 1.00 0.00 H new ATOM 524 N ALA A 35 -2.929 20.688 -1.127 1.00 0.00 N ATOM 525 CA ALA A 35 -3.446 21.840 -1.856 1.00 0.00 C ATOM 526 C ALA A 35 -3.419 23.095 -0.990 1.00 0.00 C ATOM 527 O ALA A 35 -3.171 24.195 -1.483 1.00 0.00 O ATOM 528 CB ALA A 35 -4.860 21.564 -2.345 1.00 0.00 C ATOM 0 H ALA A 35 -3.635 19.996 -0.876 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.802 22.012 -2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.233 22.433 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.854 20.698 -3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.508 21.363 -1.491 1.00 0.00 H new ATOM 534 N ILE A 36 -3.678 22.922 0.302 1.00 0.00 N ATOM 535 CA ILE A 36 -3.684 24.041 1.236 1.00 0.00 C ATOM 536 C ILE A 36 -2.349 24.779 1.217 1.00 0.00 C ATOM 537 O ILE A 36 -2.296 25.984 0.969 1.00 0.00 O ATOM 538 CB ILE A 36 -3.979 23.573 2.673 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.271 22.755 2.711 1.00 0.00 C ATOM 540 CG2 ILE A 36 -4.075 24.768 3.610 1.00 0.00 C ATOM 541 CD1 ILE A 36 -6.501 23.549 2.334 1.00 0.00 C ATOM 0 H ILE A 36 -3.886 22.018 0.726 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.475 24.718 0.914 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.159 22.938 3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.174 21.907 2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.404 22.348 3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.284 24.421 4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.132 25.314 3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.878 25.426 3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.379 22.905 2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.623 24.382 3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.389 23.934 1.320 1.00 0.00 H new ATOM 553 N LYS A 37 -1.271 24.048 1.480 1.00 0.00 N ATOM 554 CA LYS A 37 0.065 24.630 1.491 1.00 0.00 C ATOM 555 C LYS A 37 0.390 25.272 0.146 1.00 0.00 C ATOM 556 O LYS A 37 0.663 26.469 0.069 1.00 0.00 O ATOM 557 CB LYS A 37 1.108 23.560 1.822 1.00 0.00 C ATOM 558 CG LYS A 37 2.078 23.974 2.915 1.00 0.00 C ATOM 559 CD LYS A 37 2.280 22.863 3.932 1.00 0.00 C ATOM 560 CE LYS A 37 3.755 22.640 4.228 1.00 0.00 C ATOM 561 NZ LYS A 37 4.407 21.793 3.192 1.00 0.00 N ATOM 0 H LYS A 37 -1.297 23.050 1.689 1.00 0.00 H new ATOM 0 HA LYS A 37 0.090 25.403 2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.596 22.648 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.671 23.322 0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.037 24.240 2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.702 24.865 3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.756 23.113 4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.840 21.940 3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.264 23.602 4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.862 22.167 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.411 21.665 3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.938 20.865 3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.328 22.256 2.264 1.00 0.00 H new ATOM 575 N GLY A 38 0.356 24.468 -0.912 1.00 0.00 N ATOM 576 CA GLY A 38 0.648 24.977 -2.240 1.00 0.00 C ATOM 577 C GLY A 38 0.083 26.365 -2.466 1.00 0.00 C ATOM 578 O GLY A 38 0.659 27.163 -3.204 1.00 0.00 O ATOM 0 H GLY A 38 0.132 23.474 -0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.728 24.999 -2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.238 24.295 -2.985 1.00 0.00 H new ATOM 582 N GLN A 39 -1.048 26.653 -1.830 1.00 0.00 N ATOM 583 CA GLN A 39 -1.692 27.954 -1.968 1.00 0.00 C ATOM 584 C GLN A 39 -1.426 28.825 -0.744 1.00 0.00 C ATOM 585 O GLN A 39 -1.512 30.050 -0.813 1.00 0.00 O ATOM 586 CB GLN A 39 -3.198 27.782 -2.169 1.00 0.00 C ATOM 587 CG GLN A 39 -3.595 27.537 -3.615 1.00 0.00 C ATOM 588 CD GLN A 39 -5.044 27.890 -3.891 1.00 0.00 C ATOM 589 OE1 GLN A 39 -5.414 29.063 -3.921 1.00 0.00 O ATOM 590 NE2 GLN A 39 -5.872 26.872 -4.095 1.00 0.00 N ATOM 0 H GLN A 39 -1.537 26.003 -1.214 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.270 28.450 -2.843 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.544 26.947 -1.560 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.709 28.674 -1.807 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.951 28.125 -4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.427 26.488 -3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.521 25.915 -4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.859 27.047 -4.286 1.00 0.00 H new ATOM 599 N ASN A 40 -1.103 28.184 0.374 1.00 0.00 N ATOM 600 CA ASN A 40 -0.825 28.900 1.613 1.00 0.00 C ATOM 601 C ASN A 40 0.209 28.156 2.452 1.00 0.00 C ATOM 602 O ASN A 40 -0.122 27.437 3.396 1.00 0.00 O ATOM 603 CB ASN A 40 -2.113 29.087 2.418 1.00 0.00 C ATOM 604 CG ASN A 40 -3.336 29.214 1.531 1.00 0.00 C ATOM 605 OD1 ASN A 40 -3.431 30.129 0.712 1.00 0.00 O ATOM 606 ND2 ASN A 40 -4.280 28.293 1.689 1.00 0.00 N ATOM 0 H ASN A 40 -1.027 27.169 0.447 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.420 29.879 1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.243 28.240 3.092 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.024 29.978 3.039 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.125 28.326 1.119 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.159 27.552 2.380 1.00 0.00 H new ATOM 613 N PRO A 41 1.492 28.331 2.103 1.00 0.00 N ATOM 614 CA PRO A 41 2.601 27.686 2.812 1.00 0.00 C ATOM 615 C PRO A 41 2.802 28.253 4.213 1.00 0.00 C ATOM 616 O PRO A 41 3.261 27.555 5.116 1.00 0.00 O ATOM 617 CB PRO A 41 3.813 27.995 1.930 1.00 0.00 C ATOM 618 CG PRO A 41 3.446 29.243 1.205 1.00 0.00 C ATOM 619 CD PRO A 41 1.959 29.174 0.990 1.00 0.00 C ATOM 0 HA PRO A 41 2.425 26.621 2.960 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.713 28.135 2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.016 27.179 1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.716 30.125 1.785 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.975 29.312 0.255 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.503 30.164 1.017 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.713 28.735 0.023 1.00 0.00 H new ATOM 627 N ASN A 42 2.455 29.525 4.387 1.00 0.00 N ATOM 628 CA ASN A 42 2.599 30.186 5.679 1.00 0.00 C ATOM 629 C ASN A 42 1.752 29.493 6.742 1.00 0.00 C ATOM 630 O ASN A 42 2.092 29.502 7.924 1.00 0.00 O ATOM 631 CB ASN A 42 2.195 31.658 5.569 1.00 0.00 C ATOM 632 CG ASN A 42 3.348 32.543 5.135 1.00 0.00 C ATOM 633 OD1 ASN A 42 3.922 32.352 4.063 1.00 0.00 O ATOM 634 ND2 ASN A 42 3.692 33.517 5.969 1.00 0.00 N ATOM 0 H ASN A 42 2.073 30.118 3.650 1.00 0.00 H new ATOM 0 HA ASN A 42 3.646 30.124 5.977 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.377 31.755 4.855 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.819 32.002 6.533 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.460 34.144 5.731 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.188 33.638 6.847 1.00 0.00 H new ATOM 641 N ALA A 43 0.647 28.892 6.311 1.00 0.00 N ATOM 642 CA ALA A 43 -0.247 28.192 7.225 1.00 0.00 C ATOM 643 C ALA A 43 0.417 26.941 7.791 1.00 0.00 C ATOM 644 O ALA A 43 0.712 25.996 7.059 1.00 0.00 O ATOM 645 CB ALA A 43 -1.545 27.829 6.519 1.00 0.00 C ATOM 0 H ALA A 43 0.350 28.876 5.335 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.473 28.860 8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.203 27.307 7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.035 28.737 6.168 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.328 27.182 5.669 1.00 0.00 H new ATOM 651 N THR A 44 0.650 26.941 9.100 1.00 0.00 N ATOM 652 CA THR A 44 1.281 25.807 9.764 1.00 0.00 C ATOM 653 C THR A 44 0.274 24.692 10.021 1.00 0.00 C ATOM 654 O THR A 44 -0.933 24.885 9.875 1.00 0.00 O ATOM 655 CB THR A 44 1.920 26.225 11.102 1.00 0.00 C ATOM 656 OG1 THR A 44 0.969 26.940 11.898 1.00 0.00 O ATOM 657 CG2 THR A 44 3.147 27.093 10.867 1.00 0.00 C ATOM 0 H THR A 44 0.411 27.714 9.721 1.00 0.00 H new ATOM 0 HA THR A 44 2.061 25.442 9.096 1.00 0.00 H new ATOM 0 HB THR A 44 2.228 25.322 11.630 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.383 27.200 12.747 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.581 27.376 11.826 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.882 26.535 10.286 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.858 27.991 10.320 1.00 0.00 H new ATOM 665 N PHE A 45 0.778 23.524 10.407 1.00 0.00 N ATOM 666 CA PHE A 45 -0.078 22.376 10.685 1.00 0.00 C ATOM 667 C PHE A 45 -1.378 22.816 11.352 1.00 0.00 C ATOM 668 O PHE A 45 -2.467 22.429 10.930 1.00 0.00 O ATOM 669 CB PHE A 45 0.653 21.373 11.579 1.00 0.00 C ATOM 670 CG PHE A 45 -0.231 20.272 12.092 1.00 0.00 C ATOM 671 CD1 PHE A 45 -0.800 19.359 11.219 1.00 0.00 C ATOM 672 CD2 PHE A 45 -0.492 20.150 13.447 1.00 0.00 C ATOM 673 CE1 PHE A 45 -1.615 18.346 11.689 1.00 0.00 C ATOM 674 CE2 PHE A 45 -1.305 19.139 13.923 1.00 0.00 C ATOM 675 CZ PHE A 45 -1.866 18.235 13.043 1.00 0.00 C ATOM 0 H PHE A 45 1.775 23.348 10.534 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.321 21.897 9.736 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.479 20.934 11.019 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.088 21.903 12.426 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.605 19.440 10.160 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.055 20.854 14.140 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.055 17.642 10.998 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.501 19.056 14.982 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.500 17.443 13.412 1.00 0.00 H new ATOM 685 N GLY A 46 -1.254 23.628 12.398 1.00 0.00 N ATOM 686 CA GLY A 46 -2.426 24.107 13.107 1.00 0.00 C ATOM 687 C GLY A 46 -3.416 24.800 12.191 1.00 0.00 C ATOM 688 O GLY A 46 -4.620 24.561 12.275 1.00 0.00 O ATOM 0 H GLY A 46 -0.364 23.962 12.766 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.917 23.268 13.599 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.115 24.798 13.890 1.00 0.00 H new ATOM 692 N GLU A 47 -2.907 25.662 11.317 1.00 0.00 N ATOM 693 CA GLU A 47 -3.756 26.393 10.384 1.00 0.00 C ATOM 694 C GLU A 47 -4.324 25.460 9.319 1.00 0.00 C ATOM 695 O GLU A 47 -5.538 25.285 9.215 1.00 0.00 O ATOM 696 CB GLU A 47 -2.966 27.522 9.718 1.00 0.00 C ATOM 697 CG GLU A 47 -2.708 28.707 10.635 1.00 0.00 C ATOM 698 CD GLU A 47 -3.012 30.035 9.971 1.00 0.00 C ATOM 699 OE1 GLU A 47 -2.541 30.252 8.835 1.00 0.00 O ATOM 700 OE2 GLU A 47 -3.721 30.858 10.587 1.00 0.00 O ATOM 0 H GLU A 47 -1.912 25.871 11.235 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.585 26.821 10.947 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.011 27.129 9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.511 27.866 8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.317 28.606 11.533 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.666 28.695 10.954 1.00 0.00 H new ATOM 707 N VAL A 48 -3.437 24.862 8.529 1.00 0.00 N ATOM 708 CA VAL A 48 -3.849 23.946 7.473 1.00 0.00 C ATOM 709 C VAL A 48 -4.933 22.992 7.964 1.00 0.00 C ATOM 710 O VAL A 48 -5.907 22.728 7.260 1.00 0.00 O ATOM 711 CB VAL A 48 -2.658 23.125 6.946 1.00 0.00 C ATOM 712 CG1 VAL A 48 -3.135 22.048 5.983 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.638 24.034 6.278 1.00 0.00 C ATOM 0 H VAL A 48 -2.428 24.996 8.601 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.247 24.556 6.662 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.176 22.635 7.792 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.279 21.478 5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.825 21.379 6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.644 22.514 5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.803 23.437 5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.106 24.554 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.272 24.764 7.001 1.00 0.00 H new ATOM 723 N SER A 49 -4.755 22.478 9.177 1.00 0.00 N ATOM 724 CA SER A 49 -5.716 21.550 9.762 1.00 0.00 C ATOM 725 C SER A 49 -7.060 22.235 9.995 1.00 0.00 C ATOM 726 O SER A 49 -8.062 21.893 9.367 1.00 0.00 O ATOM 727 CB SER A 49 -5.180 20.992 11.081 1.00 0.00 C ATOM 728 OG SER A 49 -5.245 21.964 12.110 1.00 0.00 O ATOM 0 H SER A 49 -3.955 22.688 9.773 1.00 0.00 H new ATOM 0 HA SER A 49 -5.863 20.728 9.061 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.757 20.114 11.369 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.148 20.666 10.949 1.00 0.00 H new ATOM 0 HG SER A 49 -4.693 22.736 11.866 1.00 0.00 H new ATOM 734 N LYS A 50 -7.072 23.205 10.903 1.00 0.00 N ATOM 735 CA LYS A 50 -8.291 23.940 11.220 1.00 0.00 C ATOM 736 C LYS A 50 -9.074 24.268 9.953 1.00 0.00 C ATOM 737 O LYS A 50 -10.296 24.421 9.990 1.00 0.00 O ATOM 738 CB LYS A 50 -7.951 25.230 11.971 1.00 0.00 C ATOM 739 CG LYS A 50 -8.857 25.498 13.160 1.00 0.00 C ATOM 740 CD LYS A 50 -9.771 26.686 12.909 1.00 0.00 C ATOM 741 CE LYS A 50 -10.745 26.892 14.059 1.00 0.00 C ATOM 742 NZ LYS A 50 -12.093 27.304 13.577 1.00 0.00 N ATOM 0 H LYS A 50 -6.252 23.500 11.432 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.912 23.309 11.856 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.918 25.178 12.316 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.014 26.070 11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.458 24.613 13.367 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.250 25.686 14.046 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.171 27.586 12.773 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.326 26.530 11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.831 25.969 14.632 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.353 27.652 14.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.728 27.434 14.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.015 28.198 13.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.478 26.567 12.952 1.00 0.00 H new ATOM 756 N ILE A 51 -8.365 24.372 8.835 1.00 0.00 N ATOM 757 CA ILE A 51 -8.995 24.678 7.557 1.00 0.00 C ATOM 758 C ILE A 51 -9.644 23.438 6.952 1.00 0.00 C ATOM 759 O ILE A 51 -10.753 23.500 6.421 1.00 0.00 O ATOM 760 CB ILE A 51 -7.980 25.254 6.552 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.420 26.583 7.064 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.630 25.437 5.188 1.00 0.00 C ATOM 763 CD1 ILE A 51 -6.128 26.992 6.394 1.00 0.00 C ATOM 0 H ILE A 51 -7.354 24.249 8.788 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.762 25.426 7.756 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.155 24.550 6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.163 27.365 6.909 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.255 26.508 8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.900 25.845 4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.984 24.474 4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.472 26.124 5.275 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.790 27.943 6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.369 26.229 6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.292 27.099 5.322 1.00 0.00 H new ATOM 775 N VAL A 52 -8.945 22.310 7.038 1.00 0.00 N ATOM 776 CA VAL A 52 -9.454 21.053 6.502 1.00 0.00 C ATOM 777 C VAL A 52 -10.701 20.600 7.253 1.00 0.00 C ATOM 778 O VAL A 52 -11.694 20.202 6.645 1.00 0.00 O ATOM 779 CB VAL A 52 -8.391 19.941 6.575 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.979 18.611 6.128 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.178 20.307 5.734 1.00 0.00 C ATOM 0 H VAL A 52 -8.025 22.241 7.474 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.709 21.234 5.458 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.068 19.839 7.611 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.214 17.837 6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.814 18.346 6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.332 18.696 5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.437 19.510 5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.482 20.438 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.744 21.236 6.105 1.00 0.00 H new ATOM 791 N ALA A 53 -10.642 20.664 8.579 1.00 0.00 N ATOM 792 CA ALA A 53 -11.767 20.263 9.415 1.00 0.00 C ATOM 793 C ALA A 53 -13.071 20.869 8.907 1.00 0.00 C ATOM 794 O ALA A 53 -14.081 20.176 8.779 1.00 0.00 O ATOM 795 CB ALA A 53 -11.523 20.668 10.860 1.00 0.00 C ATOM 0 H ALA A 53 -9.827 20.990 9.098 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.856 19.178 9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.372 20.362 11.472 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.618 20.183 11.226 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.404 21.750 10.920 1.00 0.00 H new ATOM 801 N SER A 54 -13.043 22.166 8.618 1.00 0.00 N ATOM 802 CA SER A 54 -14.225 22.867 8.129 1.00 0.00 C ATOM 803 C SER A 54 -14.580 22.410 6.717 1.00 0.00 C ATOM 804 O SER A 54 -15.752 22.370 6.343 1.00 0.00 O ATOM 805 CB SER A 54 -13.990 24.378 8.144 1.00 0.00 C ATOM 806 OG SER A 54 -14.777 25.006 9.141 1.00 0.00 O ATOM 0 H SER A 54 -12.214 22.753 8.714 1.00 0.00 H new ATOM 0 HA SER A 54 -15.058 22.630 8.790 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.935 24.583 8.326 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.233 24.797 7.167 1.00 0.00 H new ATOM 0 HG SER A 54 -14.608 25.971 9.132 1.00 0.00 H new ATOM 812 N MET A 55 -13.560 22.067 5.938 1.00 0.00 N ATOM 813 CA MET A 55 -13.764 21.612 4.568 1.00 0.00 C ATOM 814 C MET A 55 -14.522 20.288 4.542 1.00 0.00 C ATOM 815 O MET A 55 -15.539 20.158 3.861 1.00 0.00 O ATOM 816 CB MET A 55 -12.420 21.458 3.853 1.00 0.00 C ATOM 817 CG MET A 55 -11.665 22.767 3.690 1.00 0.00 C ATOM 818 SD MET A 55 -11.807 23.448 2.026 1.00 0.00 S ATOM 819 CE MET A 55 -10.559 22.495 1.163 1.00 0.00 C ATOM 0 H MET A 55 -12.584 22.095 6.232 1.00 0.00 H new ATOM 0 HA MET A 55 -14.360 22.362 4.048 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.799 20.757 4.411 1.00 0.00 H new ATOM 0 HB3 MET A 55 -12.589 21.021 2.869 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.045 23.493 4.409 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.613 22.607 3.924 1.00 0.00 H new ATOM 0 HE1 MET A 55 -10.586 22.738 0.101 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.575 22.735 1.565 1.00 0.00 H new ATOM 0 HE3 MET A 55 -10.756 21.431 1.297 1.00 0.00 H new ATOM 829 N TRP A 56 -14.019 19.310 5.286 1.00 0.00 N ATOM 830 CA TRP A 56 -14.649 17.995 5.347 1.00 0.00 C ATOM 831 C TRP A 56 -16.083 18.102 5.854 1.00 0.00 C ATOM 832 O TRP A 56 -17.001 17.523 5.273 1.00 0.00 O ATOM 833 CB TRP A 56 -13.844 17.062 6.253 1.00 0.00 C ATOM 834 CG TRP A 56 -14.630 15.883 6.741 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.461 15.844 7.823 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.656 14.573 6.164 1.00 0.00 C ATOM 837 NE1 TRP A 56 -16.003 14.588 7.955 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.525 13.790 6.949 1.00 0.00 C ATOM 839 CE3 TRP A 56 -14.031 13.985 5.061 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -15.782 12.452 6.664 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.287 12.657 4.780 1.00 0.00 C ATOM 842 CH2 TRP A 56 -15.157 11.902 5.578 1.00 0.00 C ATOM 0 H TRP A 56 -13.178 19.402 5.855 1.00 0.00 H new ATOM 0 HA TRP A 56 -14.669 17.582 4.338 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -12.969 16.706 5.710 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.479 17.626 7.111 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.663 16.678 8.479 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.655 14.297 8.683 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.360 14.559 4.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -16.451 11.868 7.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -13.808 12.193 3.931 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -15.338 10.866 5.331 1.00 0.00 H new ATOM 853 N ASP A 57 -16.269 18.847 6.939 1.00 0.00 N ATOM 854 CA ASP A 57 -17.592 19.030 7.522 1.00 0.00 C ATOM 855 C ASP A 57 -18.563 19.607 6.497 1.00 0.00 C ATOM 856 O ASP A 57 -19.780 19.519 6.661 1.00 0.00 O ATOM 857 CB ASP A 57 -17.512 19.951 8.741 1.00 0.00 C ATOM 858 CG ASP A 57 -18.048 19.295 9.999 1.00 0.00 C ATOM 859 OD1 ASP A 57 -19.282 19.135 10.105 1.00 0.00 O ATOM 860 OD2 ASP A 57 -17.233 18.940 10.876 1.00 0.00 O ATOM 0 H ASP A 57 -15.520 19.333 7.432 1.00 0.00 H new ATOM 0 HA ASP A 57 -17.961 18.054 7.836 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.475 20.246 8.902 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -18.076 20.862 8.542 1.00 0.00 H new ATOM 865 N GLY A 58 -18.017 20.199 5.439 1.00 0.00 N ATOM 866 CA GLY A 58 -18.849 20.783 4.403 1.00 0.00 C ATOM 867 C GLY A 58 -18.906 19.926 3.154 1.00 0.00 C ATOM 868 O GLY A 58 -19.744 20.147 2.278 1.00 0.00 O ATOM 0 H GLY A 58 -17.013 20.285 5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -19.858 20.925 4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.464 21.770 4.146 1.00 0.00 H new ATOM 872 N LEU A 59 -18.013 18.946 3.070 1.00 0.00 N ATOM 873 CA LEU A 59 -17.964 18.053 1.917 1.00 0.00 C ATOM 874 C LEU A 59 -19.344 17.478 1.614 1.00 0.00 C ATOM 875 O LEU A 59 -20.197 17.388 2.496 1.00 0.00 O ATOM 876 CB LEU A 59 -16.970 16.918 2.168 1.00 0.00 C ATOM 877 CG LEU A 59 -15.810 16.810 1.178 1.00 0.00 C ATOM 878 CD1 LEU A 59 -14.645 17.680 1.624 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.369 15.362 1.028 1.00 0.00 C ATOM 0 H LEU A 59 -17.313 18.749 3.786 1.00 0.00 H new ATOM 0 HA LEU A 59 -17.635 18.632 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -16.557 17.039 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.517 15.975 2.161 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.153 17.167 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.829 17.590 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -14.967 18.720 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.303 17.354 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.543 15.305 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.045 14.978 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.203 14.764 0.661 1.00 0.00 H new ATOM 891 N GLY A 60 -19.556 17.088 0.361 1.00 0.00 N ATOM 892 CA GLY A 60 -20.833 16.524 -0.035 1.00 0.00 C ATOM 893 C GLY A 60 -21.027 15.111 0.476 1.00 0.00 C ATOM 894 O GLY A 60 -20.085 14.319 0.503 1.00 0.00 O ATOM 0 H GLY A 60 -18.866 17.153 -0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.638 17.156 0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -20.906 16.527 -1.123 1.00 0.00 H new ATOM 898 N GLU A 61 -22.251 14.794 0.885 1.00 0.00 N ATOM 899 CA GLU A 61 -22.564 13.466 1.401 1.00 0.00 C ATOM 900 C GLU A 61 -21.926 12.382 0.537 1.00 0.00 C ATOM 901 O GLU A 61 -21.386 11.403 1.050 1.00 0.00 O ATOM 902 CB GLU A 61 -24.079 13.261 1.460 1.00 0.00 C ATOM 903 CG GLU A 61 -24.713 13.773 2.742 1.00 0.00 C ATOM 904 CD GLU A 61 -25.986 13.031 3.101 1.00 0.00 C ATOM 905 OE1 GLU A 61 -25.996 11.787 2.994 1.00 0.00 O ATOM 906 OE2 GLU A 61 -26.971 13.694 3.487 1.00 0.00 O ATOM 0 H GLU A 61 -23.042 15.438 0.869 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.155 13.390 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.539 13.766 0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.298 12.198 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -23.998 13.677 3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -24.934 14.835 2.635 1.00 0.00 H new ATOM 913 N GLU A 62 -21.993 12.566 -0.778 1.00 0.00 N ATOM 914 CA GLU A 62 -21.424 11.604 -1.714 1.00 0.00 C ATOM 915 C GLU A 62 -19.909 11.517 -1.550 1.00 0.00 C ATOM 916 O GLU A 62 -19.316 10.453 -1.723 1.00 0.00 O ATOM 917 CB GLU A 62 -21.771 11.991 -3.153 1.00 0.00 C ATOM 918 CG GLU A 62 -22.157 10.808 -4.024 1.00 0.00 C ATOM 919 CD GLU A 62 -23.475 11.019 -4.745 1.00 0.00 C ATOM 920 OE1 GLU A 62 -23.765 12.173 -5.125 1.00 0.00 O ATOM 921 OE2 GLU A 62 -24.216 10.031 -4.928 1.00 0.00 O ATOM 0 H GLU A 62 -22.436 13.372 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.853 10.626 -1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.594 12.706 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -20.916 12.497 -3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -21.371 10.630 -4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -22.225 9.913 -3.405 1.00 0.00 H new ATOM 928 N GLN A 63 -19.290 12.645 -1.217 1.00 0.00 N ATOM 929 CA GLN A 63 -17.845 12.697 -1.031 1.00 0.00 C ATOM 930 C GLN A 63 -17.449 12.122 0.325 1.00 0.00 C ATOM 931 O GLN A 63 -16.357 11.576 0.485 1.00 0.00 O ATOM 932 CB GLN A 63 -17.345 14.137 -1.153 1.00 0.00 C ATOM 933 CG GLN A 63 -17.749 14.813 -2.453 1.00 0.00 C ATOM 934 CD GLN A 63 -16.995 16.106 -2.698 1.00 0.00 C ATOM 935 OE1 GLN A 63 -17.301 17.139 -2.100 1.00 0.00 O ATOM 936 NE2 GLN A 63 -16.004 16.056 -3.579 1.00 0.00 N ATOM 0 H GLN A 63 -19.767 13.535 -1.071 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.382 12.092 -1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.730 14.719 -0.316 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.258 14.143 -1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.571 14.130 -3.284 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -18.819 15.019 -2.434 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.785 15.179 -4.051 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.461 16.895 -3.784 1.00 0.00 H new ATOM 945 N LYS A 64 -18.343 12.248 1.299 1.00 0.00 N ATOM 946 CA LYS A 64 -18.088 11.741 2.642 1.00 0.00 C ATOM 947 C LYS A 64 -18.202 10.220 2.680 1.00 0.00 C ATOM 948 O LYS A 64 -17.347 9.539 3.245 1.00 0.00 O ATOM 949 CB LYS A 64 -19.071 12.361 3.639 1.00 0.00 C ATOM 950 CG LYS A 64 -18.625 13.712 4.171 1.00 0.00 C ATOM 951 CD LYS A 64 -19.352 14.072 5.456 1.00 0.00 C ATOM 952 CE LYS A 64 -18.827 15.372 6.048 1.00 0.00 C ATOM 953 NZ LYS A 64 -19.684 15.858 7.164 1.00 0.00 N ATOM 0 H LYS A 64 -19.251 12.697 1.184 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.072 12.019 2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -20.043 12.472 3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -19.207 11.677 4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.550 13.696 4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.810 14.479 3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.420 14.166 5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.233 13.267 6.181 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.810 15.222 6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.779 16.133 5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.671 16.898 7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.660 15.527 7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.321 15.489 8.066 1.00 0.00 H new ATOM 967 N GLN A 65 -19.262 9.695 2.074 1.00 0.00 N ATOM 968 CA GLN A 65 -19.486 8.255 2.038 1.00 0.00 C ATOM 969 C GLN A 65 -18.354 7.547 1.300 1.00 0.00 C ATOM 970 O GLN A 65 -17.823 6.542 1.773 1.00 0.00 O ATOM 971 CB GLN A 65 -20.824 7.942 1.366 1.00 0.00 C ATOM 972 CG GLN A 65 -20.912 8.430 -0.071 1.00 0.00 C ATOM 973 CD GLN A 65 -22.232 8.076 -0.727 1.00 0.00 C ATOM 974 OE1 GLN A 65 -23.129 8.912 -0.835 1.00 0.00 O ATOM 975 NE2 GLN A 65 -22.358 6.830 -1.170 1.00 0.00 N ATOM 0 H GLN A 65 -19.979 10.245 1.601 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.510 7.890 3.065 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.988 6.865 1.386 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.627 8.397 1.945 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -20.778 9.512 -0.092 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.096 7.997 -0.649 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -21.589 6.169 -1.060 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -23.224 6.534 -1.620 1.00 0.00 H new ATOM 984 N VAL A 66 -17.991 8.077 0.136 1.00 0.00 N ATOM 985 CA VAL A 66 -16.922 7.496 -0.668 1.00 0.00 C ATOM 986 C VAL A 66 -15.640 7.352 0.144 1.00 0.00 C ATOM 987 O VAL A 66 -14.961 6.327 0.076 1.00 0.00 O ATOM 988 CB VAL A 66 -16.632 8.348 -1.917 1.00 0.00 C ATOM 989 CG1 VAL A 66 -16.391 9.799 -1.529 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.443 7.787 -2.681 1.00 0.00 C ATOM 0 H VAL A 66 -18.421 8.907 -0.271 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.263 6.509 -0.982 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.504 8.312 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.188 10.386 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.276 10.194 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.537 9.858 -0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.253 8.402 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.563 7.791 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -15.660 6.765 -2.993 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.314 8.385 0.913 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.111 8.375 1.738 1.00 0.00 C ATOM 1002 C TYR A 67 -14.162 7.245 2.761 1.00 0.00 C ATOM 1003 O TYR A 67 -13.135 6.671 3.123 1.00 0.00 O ATOM 1004 CB TYR A 67 -13.946 9.718 2.451 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.145 10.729 1.662 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -11.871 10.425 1.198 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -13.662 11.987 1.380 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.136 11.346 0.476 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -12.935 12.913 0.659 1.00 0.00 C ATOM 1010 CZ TYR A 67 -11.672 12.588 0.209 1.00 0.00 C ATOM 1011 OH TYR A 67 -10.943 13.508 -0.509 1.00 0.00 O ATOM 0 H TYR A 67 -15.866 9.240 0.982 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.254 8.210 1.085 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -14.932 10.132 2.660 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.459 9.552 3.412 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.448 9.453 1.405 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.650 12.245 1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.147 11.094 0.123 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.353 13.886 0.448 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.552 14.088 -1.011 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.367 6.930 3.226 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.555 5.868 4.207 1.00 0.00 C ATOM 1023 C LYS A 68 -15.402 4.495 3.559 1.00 0.00 C ATOM 1024 O LYS A 68 -14.806 3.587 4.138 1.00 0.00 O ATOM 1025 CB LYS A 68 -16.936 5.985 4.856 1.00 0.00 C ATOM 1026 CG LYS A 68 -17.200 7.343 5.484 1.00 0.00 C ATOM 1027 CD LYS A 68 -17.427 7.230 6.982 1.00 0.00 C ATOM 1028 CE LYS A 68 -18.462 8.234 7.466 1.00 0.00 C ATOM 1029 NZ LYS A 68 -18.210 8.657 8.871 1.00 0.00 N ATOM 0 H LYS A 68 -16.228 7.396 2.939 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.788 5.976 4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.700 5.787 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.035 5.215 5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.355 8.004 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.073 7.798 5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.756 6.220 7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.486 7.394 7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.451 9.109 6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -19.457 7.794 7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.937 9.341 9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.246 7.826 9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.271 9.100 8.937 1.00 0.00 H new ATOM 1043 N LYS A 69 -15.941 4.352 2.353 1.00 0.00 N ATOM 1044 CA LYS A 69 -15.861 3.091 1.624 1.00 0.00 C ATOM 1045 C LYS A 69 -14.415 2.756 1.273 1.00 0.00 C ATOM 1046 O LYS A 69 -14.087 1.606 0.982 1.00 0.00 O ATOM 1047 CB LYS A 69 -16.704 3.162 0.349 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.143 2.715 0.545 1.00 0.00 C ATOM 1049 CD LYS A 69 -19.102 3.893 0.512 1.00 0.00 C ATOM 1050 CE LYS A 69 -20.539 3.435 0.316 1.00 0.00 C ATOM 1051 NZ LYS A 69 -20.754 2.844 -1.034 1.00 0.00 N ATOM 0 H LYS A 69 -16.438 5.094 1.860 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.252 2.302 2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.698 4.186 -0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.241 2.541 -0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -18.413 2.003 -0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.237 2.195 1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -19.022 4.455 1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -18.821 4.570 -0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -20.793 2.699 1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -21.212 4.282 0.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.769 2.857 -1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.234 3.399 -1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.410 1.863 -1.042 1.00 0.00 H new ATOM 1065 N LYS A 70 -13.555 3.768 1.302 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.143 3.581 0.989 1.00 0.00 C ATOM 1067 C LYS A 70 -11.361 3.163 2.231 1.00 0.00 C ATOM 1068 O LYS A 70 -10.303 2.540 2.131 1.00 0.00 O ATOM 1069 CB LYS A 70 -11.552 4.869 0.412 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.080 5.214 -0.970 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.058 5.995 -1.779 1.00 0.00 C ATOM 1072 CE LYS A 70 -11.727 6.873 -2.825 1.00 0.00 C ATOM 1073 NZ LYS A 70 -10.989 6.856 -4.118 1.00 0.00 N ATOM 0 H LYS A 70 -13.811 4.726 1.539 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.064 2.787 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.768 5.694 1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.467 4.772 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.341 4.298 -1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.995 5.799 -0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.460 6.615 -1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.373 5.302 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.749 6.531 -2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.788 7.896 -2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.477 7.466 -4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.021 7.206 -3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.953 5.883 -4.484 1.00 0.00 H new ATOM 1087 N THR A 71 -11.889 3.508 3.401 1.00 0.00 N ATOM 1088 CA THR A 71 -11.242 3.168 4.661 1.00 0.00 C ATOM 1089 C THR A 71 -11.277 1.664 4.910 1.00 0.00 C ATOM 1090 O THR A 71 -10.235 1.025 5.050 1.00 0.00 O ATOM 1091 CB THR A 71 -11.909 3.889 5.848 1.00 0.00 C ATOM 1092 OG1 THR A 71 -12.581 5.068 5.390 1.00 0.00 O ATOM 1093 CG2 THR A 71 -10.878 4.263 6.902 1.00 0.00 C ATOM 0 H THR A 71 -12.764 4.023 3.502 1.00 0.00 H new ATOM 0 HA THR A 71 -10.206 3.496 4.582 1.00 0.00 H new ATOM 0 HB THR A 71 -12.634 3.210 6.297 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.103 5.862 5.709 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.372 4.771 7.730 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.389 3.361 7.269 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.133 4.926 6.463 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.482 1.106 4.963 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.651 -0.324 5.195 1.00 0.00 C ATOM 1103 C GLU A 72 -12.031 -1.136 4.062 1.00 0.00 C ATOM 1104 O GLU A 72 -11.504 -2.226 4.282 1.00 0.00 O ATOM 1105 CB GLU A 72 -14.136 -0.669 5.331 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.914 -0.529 4.033 1.00 0.00 C ATOM 1107 CD GLU A 72 -16.401 -0.767 4.216 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -16.786 -1.336 5.259 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -17.178 -0.383 3.318 1.00 0.00 O ATOM 0 H GLU A 72 -13.355 1.621 4.849 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.139 -0.578 6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.231 -1.693 5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.583 -0.021 6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.757 0.470 3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.524 -1.237 3.302 1.00 0.00 H new ATOM 1116 N ALA A 73 -12.098 -0.596 2.850 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.541 -1.269 1.682 1.00 0.00 C ATOM 1118 C ALA A 73 -10.023 -1.134 1.642 1.00 0.00 C ATOM 1119 O ALA A 73 -9.334 -1.946 1.026 1.00 0.00 O ATOM 1120 CB ALA A 73 -12.157 -0.711 0.408 1.00 0.00 C ATOM 0 H ALA A 73 -12.532 0.305 2.651 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.783 -2.329 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.732 -1.222 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.236 -0.866 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.945 0.356 0.338 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.508 -0.102 2.302 1.00 0.00 N ATOM 1127 CA ALA A 74 -8.071 0.139 2.342 1.00 0.00 C ATOM 1128 C ALA A 74 -7.439 -0.516 3.565 1.00 0.00 C ATOM 1129 O ALA A 74 -6.250 -0.837 3.566 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.786 1.634 2.336 1.00 0.00 C ATOM 0 H ALA A 74 -10.065 0.581 2.816 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.628 -0.308 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.709 1.799 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.196 2.079 1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.248 2.096 3.208 1.00 0.00 H new ATOM 1136 N LYS A 75 -8.240 -0.713 4.607 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.760 -1.331 5.837 1.00 0.00 C ATOM 1138 C LYS A 75 -7.699 -2.849 5.695 1.00 0.00 C ATOM 1139 O LYS A 75 -6.639 -3.455 5.850 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.668 -0.953 7.009 1.00 0.00 C ATOM 1141 CG LYS A 75 -8.629 -1.951 8.154 1.00 0.00 C ATOM 1142 CD LYS A 75 -8.507 -1.252 9.498 1.00 0.00 C ATOM 1143 CE LYS A 75 -9.742 -0.420 9.808 1.00 0.00 C ATOM 1144 NZ LYS A 75 -9.399 1.007 10.062 1.00 0.00 N ATOM 0 H LYS A 75 -9.226 -0.453 4.624 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.753 -0.962 6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.375 0.028 7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.693 -0.864 6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.534 -2.559 8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.787 -2.630 8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.360 -1.994 10.283 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.626 -0.611 9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.441 -0.483 8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.249 -0.833 10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.267 1.541 10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.752 1.069 10.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.938 1.408 9.220 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.843 -3.457 5.399 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.920 -4.904 5.234 1.00 0.00 C ATOM 1160 C LYS A 76 -7.834 -5.401 4.285 1.00 0.00 C ATOM 1161 O LYS A 76 -7.297 -6.494 4.462 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.298 -5.304 4.704 1.00 0.00 C ATOM 1163 CG LYS A 76 -11.084 -6.186 5.658 1.00 0.00 C ATOM 1164 CD LYS A 76 -11.757 -5.368 6.748 1.00 0.00 C ATOM 1165 CE LYS A 76 -11.823 -6.134 8.060 1.00 0.00 C ATOM 1166 NZ LYS A 76 -13.129 -6.830 8.231 1.00 0.00 N ATOM 0 H LYS A 76 -9.730 -2.970 5.268 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.765 -5.366 6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.874 -4.402 4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.175 -5.828 3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.838 -6.743 5.102 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.416 -6.919 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.209 -4.437 6.896 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.765 -5.098 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.015 -6.865 8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.667 -5.446 8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.134 -7.340 9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.899 -6.131 8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.267 -7.505 7.452 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.517 -4.592 3.279 1.00 0.00 N ATOM 1181 CA GLU A 77 -6.495 -4.951 2.303 1.00 0.00 C ATOM 1182 C GLU A 77 -5.097 -4.707 2.864 1.00 0.00 C ATOM 1183 O GLU A 77 -4.184 -5.506 2.657 1.00 0.00 O ATOM 1184 CB GLU A 77 -6.686 -4.151 1.013 1.00 0.00 C ATOM 1185 CG GLU A 77 -5.867 -2.872 0.963 1.00 0.00 C ATOM 1186 CD GLU A 77 -6.101 -2.079 -0.308 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -7.224 -2.141 -0.848 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -5.159 -1.395 -0.761 1.00 0.00 O ATOM 0 H GLU A 77 -7.953 -3.684 3.119 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.598 -6.013 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.417 -4.778 0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.741 -3.901 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.115 -2.252 1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.808 -3.119 1.043 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.938 -3.596 3.575 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.651 -3.243 4.164 1.00 0.00 C ATOM 1197 C TYR A 78 -3.047 -4.432 4.905 1.00 0.00 C ATOM 1198 O TYR A 78 -1.830 -4.624 4.908 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.811 -2.061 5.121 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.724 -1.977 6.168 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -1.382 -1.983 5.807 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -3.039 -1.892 7.519 1.00 0.00 C ATOM 1203 CE1 TYR A 78 -0.386 -1.907 6.760 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -2.048 -1.815 8.479 1.00 0.00 C ATOM 1205 CZ TYR A 78 -0.724 -1.823 8.095 1.00 0.00 C ATOM 1206 OH TYR A 78 0.266 -1.747 9.048 1.00 0.00 O ATOM 0 H TYR A 78 -5.684 -2.925 3.757 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.976 -2.959 3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.820 -1.136 4.544 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.778 -2.136 5.619 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.114 -2.048 4.763 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.075 -1.886 7.824 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.652 -1.913 6.462 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.309 -1.749 9.525 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.140 -1.692 9.938 1.00 0.00 H new ATOM 1216 N LEU A 79 -3.905 -5.230 5.530 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.458 -6.402 6.274 1.00 0.00 C ATOM 1218 C LEU A 79 -3.017 -7.513 5.327 1.00 0.00 C ATOM 1219 O LEU A 79 -1.957 -8.113 5.507 1.00 0.00 O ATOM 1220 CB LEU A 79 -4.577 -6.909 7.186 1.00 0.00 C ATOM 1221 CG LEU A 79 -4.890 -6.045 8.408 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -5.591 -4.762 7.990 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -5.741 -6.819 9.405 1.00 0.00 C ATOM 0 H LEU A 79 -4.915 -5.087 5.536 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.604 -6.110 6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.486 -7.007 6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.313 -7.909 7.531 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.950 -5.780 8.891 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.806 -4.160 8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.947 -4.199 7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.524 -5.006 7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.954 -6.188 10.268 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.677 -7.115 8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.202 -7.709 9.730 1.00 0.00 H new