USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 356 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 SER OG : rot 74:sc= 1.58 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -178:sc= 1.47 (180deg=1.11) USER MOD Single : A 27 MET CE :methyl 175:sc= 0 (180deg=-0.0361) USER MOD Single : A 31 ASN : amide:sc= -1.09 K(o=-1.1,f=-6.4!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.588 29.112 -7.524 1.00 25.00 N ATOM 273 CA PRO A 21 30.557 29.438 -6.098 1.00 25.00 C ATOM 274 C PRO A 21 30.885 30.899 -5.823 1.00 25.00 C ATOM 275 O PRO A 21 30.408 31.471 -4.859 1.00 25.00 O ATOM 276 CB PRO A 21 31.633 28.513 -5.511 1.00 25.00 C ATOM 277 CG PRO A 21 32.495 28.198 -6.643 1.00 25.00 C ATOM 278 CD PRO A 21 31.615 28.100 -7.813 1.00 25.00 C ATOM 0 HA PRO A 21 29.568 29.296 -5.663 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.189 29.006 -4.713 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.193 27.612 -5.084 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.248 28.973 -6.786 1.00 25.00 H new ATOM 0 HG3 PRO A 21 33.028 27.262 -6.478 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.147 28.315 -8.740 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.185 27.103 -7.915 1.00 25.00 H new ATOM 286 N ALA A 22 31.667 31.523 -6.697 1.00 25.00 N ATOM 287 CA ALA A 22 32.004 32.932 -6.536 1.00 25.00 C ATOM 288 C ALA A 22 30.745 33.801 -6.605 1.00 25.00 C ATOM 289 O ALA A 22 30.575 34.717 -5.803 1.00 25.00 O ATOM 290 CB ALA A 22 33.011 33.350 -7.611 1.00 25.00 C ATOM 0 H ALA A 22 32.077 31.079 -7.519 1.00 25.00 H new ATOM 0 HA ALA A 22 32.457 33.076 -5.555 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.260 34.404 -7.486 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.916 32.750 -7.515 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.575 33.194 -8.598 1.00 25.00 H new ATOM 296 N LEU A 23 29.866 33.493 -7.551 1.00 25.00 N ATOM 297 CA LEU A 23 28.631 34.255 -7.733 1.00 25.00 C ATOM 298 C LEU A 23 27.613 33.875 -6.672 1.00 25.00 C ATOM 299 O LEU A 23 26.838 34.705 -6.234 1.00 25.00 O ATOM 300 CB LEU A 23 28.020 33.998 -9.118 1.00 25.00 C ATOM 301 CG LEU A 23 28.892 34.281 -10.354 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.079 33.998 -11.618 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.413 35.707 -10.397 1.00 25.00 C ATOM 0 H LEU A 23 29.983 32.720 -8.206 1.00 25.00 H new ATOM 0 HA LEU A 23 28.883 35.312 -7.644 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.711 32.953 -9.159 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.116 34.601 -9.202 1.00 25.00 H new ATOM 0 HG LEU A 23 29.761 33.625 -10.295 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.692 34.197 -12.497 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.766 32.954 -11.623 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.199 34.641 -11.636 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.021 35.845 -11.291 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.573 36.401 -10.418 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.020 35.899 -9.512 1.00 25.00 H new ATOM 315 N LEU A 24 27.625 32.619 -6.250 1.00 25.00 N ATOM 316 CA LEU A 24 26.708 32.159 -5.215 1.00 25.00 C ATOM 317 C LEU A 24 27.019 32.873 -3.911 1.00 25.00 C ATOM 318 O LEU A 24 26.137 33.417 -3.263 1.00 25.00 O ATOM 319 CB LEU A 24 26.854 30.651 -5.018 1.00 25.00 C ATOM 320 CG LEU A 24 25.592 29.930 -4.535 1.00 25.00 C ATOM 321 CD1 LEU A 24 25.852 28.452 -4.382 1.00 25.00 C ATOM 322 CD2 LEU A 24 24.946 30.478 -3.310 1.00 25.00 C ATOM 0 H LEU A 24 28.257 31.902 -6.606 1.00 25.00 H new ATOM 0 HA LEU A 24 25.685 32.380 -5.520 1.00 25.00 H new ATOM 0 HB2 LEU A 24 27.168 30.206 -5.962 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.653 30.471 -4.299 1.00 25.00 H new ATOM 0 HG LEU A 24 24.863 30.113 -5.324 1.00 25.00 H new ATOM 0 HD11 LEU A 24 24.944 27.957 -4.038 1.00 25.00 H new ATOM 0 HD12 LEU A 24 26.152 28.034 -5.343 1.00 25.00 H new ATOM 0 HD13 LEU A 24 26.648 28.296 -3.654 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.064 29.885 -3.067 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.650 30.438 -2.479 1.00 25.00 H new ATOM 0 HD23 LEU A 24 24.651 31.512 -3.486 1.00 25.00 H new ATOM 334 N ARG A 25 28.294 32.898 -3.556 1.00 25.00 N ATOM 335 CA ARG A 25 28.762 33.590 -2.364 1.00 25.00 C ATOM 336 C ARG A 25 28.360 35.058 -2.452 1.00 25.00 C ATOM 337 O ARG A 25 27.898 35.632 -1.481 1.00 25.00 O ATOM 338 CB ARG A 25 30.286 33.428 -2.278 1.00 25.00 C ATOM 339 CG ARG A 25 30.980 34.185 -1.141 1.00 25.00 C ATOM 340 CD ARG A 25 32.335 34.723 -1.594 1.00 25.00 C ATOM 341 NE ARG A 25 32.158 35.664 -2.715 1.00 25.00 N ATOM 342 CZ ARG A 25 32.890 36.744 -2.950 1.00 25.00 C ATOM 343 NH1 ARG A 25 33.919 37.071 -2.207 1.00 25.00 N ATOM 344 NH2 ARG A 25 32.571 37.514 -3.953 1.00 25.00 N ATOM 0 H ARG A 25 29.035 32.439 -4.086 1.00 25.00 H new ATOM 0 HA ARG A 25 28.314 33.171 -1.463 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.513 32.367 -2.173 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.720 33.755 -3.223 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.349 35.010 -0.809 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.114 33.522 -0.286 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.832 35.224 -0.763 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.979 33.898 -1.900 1.00 25.00 H new ATOM 0 HE ARG A 25 31.402 35.466 -3.371 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.182 36.486 -1.414 1.00 25.00 H new ATOM 0 HH12 ARG A 25 34.457 37.911 -2.422 1.00 25.00 H new ATOM 0 HH21 ARG A 25 31.770 37.281 -4.541 1.00 25.00 H new ATOM 0 HH22 ARG A 25 33.122 38.349 -4.150 1.00 25.00 H new ATOM 358 N ASP A 26 28.504 35.652 -3.624 1.00 25.00 N ATOM 359 CA ASP A 26 28.148 37.059 -3.815 1.00 25.00 C ATOM 360 C ASP A 26 26.641 37.295 -3.638 1.00 25.00 C ATOM 361 O ASP A 26 26.225 38.211 -2.934 1.00 25.00 O ATOM 362 CB ASP A 26 28.586 37.512 -5.206 1.00 25.00 C ATOM 363 CG ASP A 26 28.948 38.974 -5.248 1.00 25.00 C ATOM 364 OD1 ASP A 26 30.052 39.306 -4.753 1.00 25.00 O ATOM 365 OD2 ASP A 26 28.185 39.778 -5.813 1.00 25.00 O ATOM 0 H ASP A 26 28.863 35.189 -4.459 1.00 25.00 H new ATOM 0 HA ASP A 26 28.665 37.644 -3.054 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.443 36.919 -5.525 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.783 37.319 -5.917 1.00 25.00 H new ATOM 370 N MET A 27 25.830 36.426 -4.231 1.00 25.00 N ATOM 371 CA MET A 27 24.372 36.518 -4.118 1.00 25.00 C ATOM 372 C MET A 27 23.944 36.337 -2.681 1.00 25.00 C ATOM 373 O MET A 27 23.104 37.069 -2.193 1.00 25.00 O ATOM 374 CB MET A 27 23.705 35.445 -4.973 1.00 25.00 C ATOM 375 CG MET A 27 22.182 35.517 -4.967 1.00 25.00 C ATOM 376 SD MET A 27 21.430 34.296 -6.063 1.00 25.00 S ATOM 377 CE MET A 27 21.712 32.738 -5.150 1.00 25.00 C ATOM 0 H MET A 27 26.156 35.644 -4.799 1.00 25.00 H new ATOM 0 HA MET A 27 24.067 37.504 -4.467 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.060 35.538 -5.999 1.00 25.00 H new ATOM 0 HB3 MET A 27 24.015 34.463 -4.616 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.818 35.362 -3.951 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.867 36.516 -5.270 1.00 25.00 H new ATOM 0 HE1 MET A 27 21.220 31.917 -5.671 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.782 32.540 -5.090 1.00 25.00 H new ATOM 0 HE3 MET A 27 21.302 32.827 -4.144 1.00 25.00 H new ATOM 387 N LEU A 28 24.534 35.369 -1.998 1.00 25.00 N ATOM 388 CA LEU A 28 24.226 35.145 -0.592 1.00 25.00 C ATOM 389 C LEU A 28 24.554 36.351 0.275 1.00 25.00 C ATOM 390 O LEU A 28 23.762 36.732 1.120 1.00 25.00 O ATOM 391 CB LEU A 28 25.009 33.974 -0.076 1.00 25.00 C ATOM 392 CG LEU A 28 24.392 32.616 -0.360 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.451 31.622 -0.085 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.177 32.342 0.506 1.00 25.00 C ATOM 0 H LEU A 28 25.225 34.729 -2.390 1.00 25.00 H new ATOM 0 HA LEU A 28 23.154 34.957 -0.534 1.00 25.00 H new ATOM 0 HB2 LEU A 28 26.007 34.002 -0.514 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.130 34.083 1.002 1.00 25.00 H new ATOM 0 HG LEU A 28 24.041 32.571 -1.391 1.00 25.00 H new ATOM 0 HD11 LEU A 28 25.066 30.619 -0.272 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.305 31.810 -0.736 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.764 31.702 0.956 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.772 31.359 0.265 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.466 32.368 1.557 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.418 33.102 0.320 1.00 25.00 H new ATOM 406 N LEU A 29 25.710 36.962 0.061 1.00 25.00 N ATOM 407 CA LEU A 29 26.112 38.130 0.850 1.00 25.00 C ATOM 408 C LEU A 29 25.144 39.281 0.605 1.00 25.00 C ATOM 409 O LEU A 29 24.828 40.049 1.509 1.00 25.00 O ATOM 410 CB LEU A 29 27.537 38.561 0.476 1.00 25.00 C ATOM 411 CG LEU A 29 28.663 37.631 0.962 1.00 25.00 C ATOM 412 CD1 LEU A 29 29.949 37.912 0.186 1.00 25.00 C ATOM 413 CD2 LEU A 29 28.911 37.779 2.465 1.00 25.00 C ATOM 0 H LEU A 29 26.386 36.675 -0.647 1.00 25.00 H new ATOM 0 HA LEU A 29 26.091 37.862 1.906 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.600 38.641 -0.609 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.714 39.558 0.880 1.00 25.00 H new ATOM 0 HG LEU A 29 28.347 36.604 0.778 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.739 37.248 0.538 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.778 37.740 -0.877 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.249 38.948 0.342 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.713 37.106 2.769 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.196 38.807 2.687 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.001 37.529 3.010 1.00 25.00 H new ATOM 425 N ALA A 30 24.651 39.368 -0.621 1.00 25.00 N ATOM 426 CA ALA A 30 23.690 40.396 -0.999 1.00 25.00 C ATOM 427 C ALA A 30 22.254 40.048 -0.564 1.00 25.00 C ATOM 428 O ALA A 30 21.358 40.889 -0.665 1.00 25.00 O ATOM 429 CB ALA A 30 23.743 40.602 -2.521 1.00 25.00 C ATOM 0 H ALA A 30 24.903 38.733 -1.378 1.00 25.00 H new ATOM 0 HA ALA A 30 23.965 41.315 -0.482 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.026 41.370 -2.809 1.00 25.00 H new ATOM 0 HB2 ALA A 30 24.746 40.915 -2.811 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.495 39.667 -3.024 1.00 25.00 H new ATOM 435 N ASN A 31 22.021 38.816 -0.125 1.00 25.00 N ATOM 436 CA ASN A 31 20.669 38.370 0.213 1.00 25.00 C ATOM 437 C ASN A 31 20.527 37.977 1.687 1.00 25.00 C ATOM 438 O ASN A 31 20.854 36.854 2.077 1.00 25.00 O ATOM 439 CB ASN A 31 20.296 37.181 -0.665 1.00 25.00 C ATOM 440 CG ASN A 31 18.820 36.930 -0.686 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.142 37.001 0.336 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.305 36.649 -1.849 1.00 25.00 N ATOM 0 H ASN A 31 22.745 38.109 0.006 1.00 25.00 H new ATOM 0 HA ASN A 31 19.996 39.209 0.035 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.646 37.359 -1.682 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.809 36.290 -0.303 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.303 36.478 -1.935 1.00 25.00 H new ATOM 0 HD22 ASN A 31 18.904 36.600 -2.673 1.00 25.00 H new ATOM 449 N PRO A 32 19.991 38.881 2.524 1.00 25.00 N ATOM 450 CA PRO A 32 19.910 38.551 3.952 1.00 25.00 C ATOM 451 C PRO A 32 18.985 37.380 4.304 1.00 25.00 C ATOM 452 O PRO A 32 19.187 36.721 5.318 1.00 25.00 O ATOM 453 CB PRO A 32 19.416 39.860 4.574 1.00 25.00 C ATOM 454 CG PRO A 32 18.663 40.524 3.476 1.00 25.00 C ATOM 455 CD PRO A 32 19.473 40.237 2.259 1.00 25.00 C ATOM 0 HA PRO A 32 20.873 38.202 4.325 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.779 39.675 5.439 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.247 40.477 4.917 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.653 40.125 3.386 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.568 41.596 3.649 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.867 40.269 1.353 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.279 40.960 2.129 1.00 25.00 H new ATOM 463 N HIS A 33 17.985 37.104 3.481 1.00 25.00 N ATOM 464 CA HIS A 33 17.079 35.986 3.744 1.00 25.00 C ATOM 465 C HIS A 33 17.748 34.656 3.400 1.00 25.00 C ATOM 466 O HIS A 33 17.610 33.662 4.107 1.00 25.00 O ATOM 467 CB HIS A 33 15.806 36.140 2.910 1.00 25.00 C ATOM 468 CG HIS A 33 14.781 35.084 3.185 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.890 35.120 4.231 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.508 33.919 2.531 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.140 34.023 4.178 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.469 33.257 3.156 1.00 25.00 N ATOM 0 H HIS A 33 17.778 37.630 2.632 1.00 25.00 H new ATOM 0 HA HIS A 33 16.828 35.992 4.805 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.369 37.119 3.106 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.069 36.114 1.852 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.028 33.566 1.653 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.358 33.788 4.885 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.048 32.368 2.886 1.00 25.00 H new ATOM 480 N GLU A 34 18.470 34.649 2.293 1.00 25.00 N ATOM 481 CA GLU A 34 19.082 33.430 1.772 1.00 25.00 C ATOM 482 C GLU A 34 20.285 33.074 2.627 1.00 25.00 C ATOM 483 O GLU A 34 20.519 31.924 2.956 1.00 25.00 O ATOM 484 CB GLU A 34 19.493 33.655 0.317 1.00 25.00 C ATOM 485 CG GLU A 34 18.461 33.204 -0.709 1.00 25.00 C ATOM 486 CD GLU A 34 18.340 31.687 -0.813 1.00 25.00 C ATOM 487 OE1 GLU A 34 19.308 30.972 -0.477 1.00 25.00 O ATOM 488 OE2 GLU A 34 17.271 31.213 -1.255 1.00 25.00 O ATOM 0 H GLU A 34 18.650 35.480 1.730 1.00 25.00 H new ATOM 0 HA GLU A 34 18.372 32.604 1.807 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.693 34.716 0.169 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.427 33.125 0.131 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.490 33.622 -0.446 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.728 33.608 -1.685 1.00 25.00 H new ATOM 495 N LEU A 35 21.014 34.084 3.067 1.00 25.00 N ATOM 496 CA LEU A 35 22.141 33.851 3.954 1.00 25.00 C ATOM 497 C LEU A 35 21.652 33.312 5.302 1.00 25.00 C ATOM 498 O LEU A 35 22.352 32.558 5.968 1.00 25.00 O ATOM 499 CB LEU A 35 22.979 35.112 4.057 1.00 25.00 C ATOM 500 CG LEU A 35 22.732 36.227 5.070 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.988 35.855 6.521 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.677 37.318 4.644 1.00 25.00 C ATOM 0 H LEU A 35 20.850 35.062 2.829 1.00 25.00 H new ATOM 0 HA LEU A 35 22.795 33.080 3.547 1.00 25.00 H new ATOM 0 HB2 LEU A 35 24.006 34.782 4.214 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.942 35.582 3.074 1.00 25.00 H new ATOM 0 HG LEU A 35 21.677 36.502 5.061 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.784 36.715 7.159 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.336 35.029 6.805 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.029 35.553 6.641 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.575 38.171 5.315 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.701 36.947 4.682 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.440 37.627 3.626 1.00 25.00 H new ATOM 514 N SER A 36 20.446 33.707 5.691 1.00 25.00 N ATOM 515 CA SER A 36 19.856 33.282 6.959 1.00 25.00 C ATOM 516 C SER A 36 19.385 31.840 6.883 1.00 25.00 C ATOM 517 O SER A 36 19.621 31.074 7.800 1.00 25.00 O ATOM 518 CB SER A 36 18.683 34.183 7.347 1.00 25.00 C ATOM 519 OG SER A 36 18.230 33.879 8.655 1.00 25.00 O ATOM 0 H SER A 36 19.851 34.327 5.142 1.00 25.00 H new ATOM 0 HA SER A 36 20.630 33.362 7.722 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.988 35.228 7.296 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.868 34.054 6.635 1.00 25.00 H new ATOM 0 HG SER A 36 17.480 34.466 8.886 1.00 25.00 H new ATOM 525 N LEU A 37 18.751 31.450 5.786 1.00 25.00 N ATOM 526 CA LEU A 37 18.294 30.069 5.636 1.00 25.00 C ATOM 527 C LEU A 37 19.464 29.160 5.562 1.00 25.00 C ATOM 528 O LEU A 37 19.410 28.005 5.924 1.00 25.00 O ATOM 529 CB LEU A 37 17.409 29.904 4.423 1.00 25.00 C ATOM 530 CG LEU A 37 17.847 29.911 2.952 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.510 28.623 2.519 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.605 30.158 2.094 1.00 25.00 C ATOM 0 H LEU A 37 18.542 32.058 4.995 1.00 25.00 H new ATOM 0 HA LEU A 37 17.695 29.810 6.509 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.895 28.954 4.567 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.657 30.689 4.505 1.00 25.00 H new ATOM 0 HG LEU A 37 18.592 30.697 2.826 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.795 28.695 1.469 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.399 28.450 3.125 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.815 27.794 2.650 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.886 30.168 1.041 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.879 29.364 2.268 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.163 31.118 2.361 1.00 25.00 H new ATOM 544 N LEU A 38 20.533 29.695 5.036 1.00 25.00 N ATOM 545 CA LEU A 38 21.732 28.937 4.891 1.00 25.00 C ATOM 546 C LEU A 38 22.333 28.573 6.233 1.00 25.00 C ATOM 547 O LEU A 38 22.685 27.436 6.450 1.00 25.00 O ATOM 548 CB LEU A 38 22.681 29.739 4.056 1.00 25.00 C ATOM 549 CG LEU A 38 23.935 28.964 3.649 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.573 27.843 2.708 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.941 29.877 3.011 1.00 25.00 C ATOM 0 H LEU A 38 20.591 30.657 4.702 1.00 25.00 H new ATOM 0 HA LEU A 38 21.514 27.989 4.398 1.00 25.00 H new ATOM 0 HB2 LEU A 38 22.165 30.079 3.158 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.977 30.630 4.610 1.00 25.00 H new ATOM 0 HG LEU A 38 24.382 28.538 4.547 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.475 27.299 2.426 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.879 27.163 3.202 1.00 25.00 H new ATOM 0 HD13 LEU A 38 23.103 28.255 1.815 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.825 29.305 2.729 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.506 30.333 2.122 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.224 30.657 3.718 1.00 25.00 H new ATOM 563 N LYS A 39 22.392 29.511 7.163 1.00 25.00 N ATOM 564 CA LYS A 39 22.836 29.165 8.528 1.00 25.00 C ATOM 565 C LYS A 39 21.778 28.377 9.290 1.00 25.00 C ATOM 566 O LYS A 39 22.115 27.596 10.157 1.00 25.00 O ATOM 567 CB LYS A 39 23.290 30.393 9.330 1.00 25.00 C ATOM 568 CG LYS A 39 22.375 31.613 9.243 1.00 25.00 C ATOM 569 CD LYS A 39 22.855 32.763 10.132 1.00 25.00 C ATOM 570 CE LYS A 39 24.140 33.383 9.578 1.00 25.00 C ATOM 571 NZ LYS A 39 24.623 34.539 10.395 1.00 25.00 N ATOM 0 H LYS A 39 22.149 30.491 7.019 1.00 25.00 H new ATOM 0 HA LYS A 39 23.707 28.521 8.406 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.385 30.106 10.377 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.284 30.681 8.987 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.324 31.953 8.209 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.364 31.328 9.535 1.00 25.00 H new ATOM 0 HD2 LYS A 39 22.078 33.525 10.199 1.00 25.00 H new ATOM 0 HD3 LYS A 39 23.030 32.397 11.144 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.918 32.621 9.539 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.966 33.714 8.554 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 25.495 34.920 9.975 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.894 35.281 10.412 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.816 34.221 11.366 1.00 25.00 H new ATOM 585 N GLU A 40 20.518 28.554 8.931 1.00 25.00 N ATOM 586 CA GLU A 40 19.419 27.807 9.547 1.00 25.00 C ATOM 587 C GLU A 40 19.479 26.329 9.145 1.00 25.00 C ATOM 588 O GLU A 40 19.311 25.441 9.971 1.00 25.00 O ATOM 589 CB GLU A 40 18.090 28.412 9.069 1.00 25.00 C ATOM 590 CG GLU A 40 16.830 27.814 9.667 1.00 25.00 C ATOM 591 CD GLU A 40 15.577 28.239 8.896 1.00 25.00 C ATOM 592 OE1 GLU A 40 14.525 27.586 9.067 1.00 25.00 O ATOM 593 OE2 GLU A 40 15.661 29.168 8.059 1.00 25.00 O ATOM 0 H GLU A 40 20.223 29.213 8.211 1.00 25.00 H new ATOM 0 HA GLU A 40 19.501 27.873 10.632 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.101 29.480 9.289 1.00 25.00 H new ATOM 0 HB3 GLU A 40 18.037 28.310 7.985 1.00 25.00 H new ATOM 0 HG2 GLU A 40 16.907 26.727 9.664 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.739 28.124 10.708 1.00 25.00 H new ATOM 600 N ARG A 41 19.667 26.076 7.854 1.00 25.00 N ATOM 601 CA ARG A 41 19.607 24.699 7.323 1.00 25.00 C ATOM 602 C ARG A 41 20.922 24.024 6.932 1.00 25.00 C ATOM 603 O ARG A 41 20.994 22.803 6.864 1.00 25.00 O ATOM 604 CB ARG A 41 18.688 24.691 6.109 1.00 25.00 C ATOM 605 CG ARG A 41 17.314 25.249 6.431 1.00 25.00 C ATOM 606 CD ARG A 41 16.244 24.794 5.449 1.00 25.00 C ATOM 607 NE ARG A 41 15.741 25.912 4.629 1.00 25.00 N ATOM 608 CZ ARG A 41 14.874 26.833 5.040 1.00 25.00 C ATOM 609 NH1 ARG A 41 14.384 26.848 6.249 1.00 25.00 N ATOM 610 NH2 ARG A 41 14.499 27.767 4.212 1.00 25.00 N ATOM 0 H ARG A 41 19.861 26.792 7.154 1.00 25.00 H new ATOM 0 HA ARG A 41 19.246 24.109 8.166 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.139 25.278 5.309 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.587 23.671 5.738 1.00 25.00 H new ATOM 0 HG2 ARG A 41 17.030 24.942 7.438 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.361 26.338 6.431 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.653 24.021 4.798 1.00 25.00 H new ATOM 0 HD3 ARG A 41 15.416 24.344 5.997 1.00 25.00 H new ATOM 0 HE ARG A 41 16.085 25.985 3.672 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.664 26.134 6.922 1.00 25.00 H new ATOM 0 HH12 ARG A 41 13.721 27.574 6.522 1.00 25.00 H new ATOM 0 HH21 ARG A 41 14.870 27.785 3.262 1.00 25.00 H new ATOM 0 HH22 ARG A 41 13.835 28.480 4.514 1.00 25.00 H new ATOM 624 N ASN A 42 21.939 24.808 6.625 1.00 25.00 N ATOM 625 CA ASN A 42 23.246 24.276 6.195 1.00 25.00 C ATOM 626 C ASN A 42 24.430 24.956 6.898 1.00 25.00 C ATOM 627 O ASN A 42 25.226 25.653 6.249 1.00 25.00 O ATOM 628 CB ASN A 42 23.410 24.475 4.684 1.00 25.00 C ATOM 629 CG ASN A 42 24.473 23.582 4.087 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.123 22.808 4.765 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.644 23.684 2.801 1.00 25.00 N ATOM 0 H ASN A 42 21.897 25.826 6.662 1.00 25.00 H new ATOM 0 HA ASN A 42 23.255 23.219 6.463 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.458 24.278 4.191 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.663 25.516 4.485 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.340 23.105 2.332 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.082 24.343 2.262 1.00 25.00 H new ATOM 638 N PRO A 43 24.590 24.751 8.219 1.00 25.00 N ATOM 639 CA PRO A 43 25.700 25.458 8.872 1.00 25.00 C ATOM 640 C PRO A 43 27.130 25.281 8.303 1.00 25.00 C ATOM 641 O PRO A 43 27.884 26.256 8.299 1.00 25.00 O ATOM 642 CB PRO A 43 25.600 24.995 10.335 1.00 25.00 C ATOM 643 CG PRO A 43 24.815 23.736 10.291 1.00 25.00 C ATOM 644 CD PRO A 43 23.824 23.946 9.189 1.00 25.00 C ATOM 0 HA PRO A 43 25.578 26.528 8.705 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.588 24.828 10.764 1.00 25.00 H new ATOM 0 HB3 PRO A 43 25.107 25.745 10.953 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.455 22.877 10.090 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.316 23.547 11.242 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.490 23.002 8.759 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.934 24.470 9.538 1.00 25.00 H new ATOM 652 N PRO A 44 27.518 24.091 7.768 1.00 25.00 N ATOM 653 CA PRO A 44 28.891 24.128 7.235 1.00 25.00 C ATOM 654 C PRO A 44 29.088 25.020 5.998 1.00 25.00 C ATOM 655 O PRO A 44 30.143 25.628 5.836 1.00 25.00 O ATOM 656 CB PRO A 44 29.163 22.659 6.893 1.00 25.00 C ATOM 657 CG PRO A 44 27.856 22.111 6.591 1.00 25.00 C ATOM 658 CD PRO A 44 26.939 22.743 7.595 1.00 25.00 C ATOM 0 HA PRO A 44 29.574 24.568 7.961 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.838 22.568 6.042 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.630 22.136 7.728 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.552 22.349 5.572 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.852 21.025 6.679 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.912 22.788 7.232 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.922 22.187 8.533 1.00 25.00 H new ATOM 666 N LEU A 45 28.096 25.121 5.117 1.00 25.00 N ATOM 667 CA LEU A 45 28.235 26.018 3.969 1.00 25.00 C ATOM 668 C LEU A 45 28.051 27.447 4.453 1.00 25.00 C ATOM 669 O LEU A 45 28.665 28.379 3.941 1.00 25.00 O ATOM 670 CB LEU A 45 27.241 25.682 2.858 1.00 25.00 C ATOM 671 CG LEU A 45 27.430 26.446 1.528 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.848 26.299 0.946 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.421 25.933 0.505 1.00 25.00 C ATOM 0 H LEU A 45 27.214 24.612 5.169 1.00 25.00 H new ATOM 0 HA LEU A 45 29.229 25.895 3.538 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.303 24.613 2.653 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.234 25.878 3.227 1.00 25.00 H new ATOM 0 HG LEU A 45 27.273 27.503 1.742 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.918 26.858 0.013 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.576 26.689 1.658 1.00 25.00 H new ATOM 0 HD13 LEU A 45 29.056 25.246 0.755 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.551 26.470 -0.435 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.580 24.867 0.340 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.410 26.095 0.878 1.00 25.00 H new ATOM 685 N ALA A 46 27.225 27.613 5.473 1.00 25.00 N ATOM 686 CA ALA A 46 27.019 28.933 6.042 1.00 25.00 C ATOM 687 C ALA A 46 28.293 29.531 6.632 1.00 25.00 C ATOM 688 O ALA A 46 28.618 30.659 6.316 1.00 25.00 O ATOM 689 CB ALA A 46 25.957 28.883 7.088 1.00 25.00 C ATOM 0 H ALA A 46 26.695 26.864 5.917 1.00 25.00 H new ATOM 0 HA ALA A 46 26.708 29.581 5.223 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.812 29.879 7.507 1.00 25.00 H new ATOM 0 HB2 ALA A 46 25.024 28.537 6.643 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.258 28.197 7.879 1.00 25.00 H new ATOM 695 N GLU A 47 29.023 28.791 7.463 1.00 25.00 N ATOM 696 CA GLU A 47 30.241 29.337 8.095 1.00 25.00 C ATOM 697 C GLU A 47 31.256 29.749 7.033 1.00 25.00 C ATOM 698 O GLU A 47 32.002 30.714 7.195 1.00 25.00 O ATOM 699 CB GLU A 47 30.876 28.357 9.097 1.00 25.00 C ATOM 700 CG GLU A 47 31.288 27.013 8.524 1.00 25.00 C ATOM 701 CD GLU A 47 32.528 26.444 9.197 1.00 25.00 C ATOM 702 OE1 GLU A 47 33.620 27.043 9.025 1.00 25.00 O ATOM 703 OE2 GLU A 47 32.436 25.389 9.851 1.00 25.00 O ATOM 0 H GLU A 47 28.805 27.827 7.717 1.00 25.00 H new ATOM 0 HA GLU A 47 29.938 30.218 8.661 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.755 28.831 9.535 1.00 25.00 H new ATOM 0 HB3 GLU A 47 30.169 28.185 9.909 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.464 26.308 8.633 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.476 27.120 7.456 1.00 25.00 H new ATOM 710 N ALA A 48 31.236 29.033 5.923 1.00 25.00 N ATOM 711 CA ALA A 48 32.070 29.315 4.791 1.00 25.00 C ATOM 712 C ALA A 48 31.769 30.685 4.201 1.00 25.00 C ATOM 713 O ALA A 48 32.680 31.452 3.895 1.00 25.00 O ATOM 714 CB ALA A 48 31.882 28.209 3.763 1.00 25.00 C ATOM 0 H ALA A 48 30.625 28.227 5.791 1.00 25.00 H new ATOM 0 HA ALA A 48 33.113 29.342 5.107 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.510 28.409 2.895 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.164 27.252 4.202 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.837 28.173 3.454 1.00 25.00 H new ATOM 720 N LEU A 49 30.492 31.010 4.107 1.00 25.00 N ATOM 721 CA LEU A 49 30.075 32.321 3.643 1.00 25.00 C ATOM 722 C LEU A 49 30.476 33.395 4.649 1.00 25.00 C ATOM 723 O LEU A 49 30.941 34.463 4.268 1.00 25.00 O ATOM 724 CB LEU A 49 28.555 32.351 3.484 1.00 25.00 C ATOM 725 CG LEU A 49 28.005 33.668 2.931 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.263 33.743 1.436 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.530 33.773 3.254 1.00 25.00 C ATOM 0 H LEU A 49 29.724 30.383 4.346 1.00 25.00 H new ATOM 0 HA LEU A 49 30.560 32.517 2.687 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.255 31.539 2.822 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.096 32.158 4.454 1.00 25.00 H new ATOM 0 HG LEU A 49 28.512 34.513 3.397 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.870 34.682 1.046 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.336 33.693 1.249 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.769 32.908 0.939 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.137 34.711 2.861 1.00 25.00 H new ATOM 0 HD22 LEU A 49 25.998 32.937 2.800 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.391 33.747 4.335 1.00 25.00 H new ATOM 739 N LEU A 50 30.276 33.113 5.933 1.00 25.00 N ATOM 740 CA LEU A 50 30.514 34.108 6.989 1.00 25.00 C ATOM 741 C LEU A 50 31.980 34.490 7.053 1.00 25.00 C ATOM 742 O LEU A 50 32.327 35.618 7.372 1.00 25.00 O ATOM 743 CB LEU A 50 30.104 33.579 8.374 1.00 25.00 C ATOM 744 CG LEU A 50 28.720 32.940 8.564 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.425 32.773 10.037 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.593 33.689 7.863 1.00 25.00 C ATOM 0 H LEU A 50 29.951 32.208 6.273 1.00 25.00 H new ATOM 0 HA LEU A 50 29.906 34.976 6.736 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.848 32.841 8.674 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.178 34.410 9.075 1.00 25.00 H new ATOM 0 HG LEU A 50 28.761 31.962 8.084 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.442 32.319 10.162 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.181 32.131 10.489 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.439 33.748 10.524 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.648 33.177 8.044 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.535 34.706 8.252 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.789 33.721 6.791 1.00 25.00 H new ATOM 758 N SER A 51 32.836 33.526 6.754 1.00 25.00 N ATOM 759 CA SER A 51 34.266 33.735 6.770 1.00 25.00 C ATOM 760 C SER A 51 34.719 34.599 5.597 1.00 25.00 C ATOM 761 O SER A 51 35.788 35.195 5.636 1.00 25.00 O ATOM 762 CB SER A 51 34.948 32.390 6.674 1.00 25.00 C ATOM 763 OG SER A 51 34.561 31.533 7.740 1.00 25.00 O ATOM 0 H SER A 51 32.555 32.580 6.495 1.00 25.00 H new ATOM 0 HA SER A 51 34.530 34.248 7.694 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.700 31.922 5.721 1.00 25.00 H new ATOM 0 HB3 SER A 51 36.029 32.527 6.690 1.00 25.00 H new ATOM 0 HG SER A 51 33.646 31.215 7.589 1.00 25.00 H new ATOM 769 N GLY A 52 33.930 34.612 4.530 1.00 25.00 N ATOM 770 CA GLY A 52 34.266 35.389 3.345 1.00 25.00 C ATOM 771 C GLY A 52 35.175 34.639 2.392 1.00 25.00 C ATOM 772 O GLY A 52 35.226 34.953 1.197 1.00 25.00 O ATOM 0 H GLY A 52 33.054 34.094 4.461 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.349 35.665 2.824 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.751 36.316 3.649 1.00 25.00 H new ATOM 776 N ASP A 53 35.886 33.648 2.916 1.00 25.00 N ATOM 777 CA ASP A 53 36.813 32.846 2.123 1.00 25.00 C ATOM 778 C ASP A 53 36.083 32.083 1.030 1.00 25.00 C ATOM 779 O ASP A 53 35.357 31.118 1.294 1.00 25.00 O ATOM 780 CB ASP A 53 37.608 31.878 2.999 1.00 25.00 C ATOM 781 CG ASP A 53 39.075 31.915 2.692 1.00 25.00 C ATOM 782 OD1 ASP A 53 39.410 31.976 1.492 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.891 31.848 3.630 1.00 25.00 O ATOM 0 H ASP A 53 35.838 33.377 3.898 1.00 25.00 H new ATOM 0 HA ASP A 53 37.514 33.537 1.655 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.451 32.127 4.048 1.00 25.00 H new ATOM 0 HB3 ASP A 53 37.233 30.865 2.852 1.00 25.00 H new ATOM 788 N LEU A 54 36.280 32.509 -0.208 1.00 25.00 N ATOM 789 CA LEU A 54 35.668 31.834 -1.342 1.00 25.00 C ATOM 790 C LEU A 54 36.224 30.423 -1.379 1.00 25.00 C ATOM 791 O LEU A 54 35.521 29.492 -1.710 1.00 25.00 O ATOM 792 CB LEU A 54 35.985 32.556 -2.654 1.00 25.00 C ATOM 793 CG LEU A 54 35.376 31.988 -3.958 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.273 30.937 -4.613 1.00 25.00 C ATOM 795 CD2 LEU A 54 33.949 31.437 -3.799 1.00 25.00 C ATOM 0 H LEU A 54 36.856 33.315 -0.452 1.00 25.00 H new ATOM 0 HA LEU A 54 34.584 31.828 -1.231 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.656 33.591 -2.554 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.068 32.576 -2.772 1.00 25.00 H new ATOM 0 HG LEU A 54 35.309 32.853 -4.618 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.799 30.571 -5.524 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.236 31.383 -4.859 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.424 30.106 -3.923 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.596 31.058 -4.758 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.951 30.628 -3.068 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.287 32.233 -3.458 1.00 25.00 H new ATOM 807 N GLU A 55 37.479 30.267 -0.998 1.00 25.00 N ATOM 808 CA GLU A 55 38.116 28.954 -1.002 1.00 25.00 C ATOM 809 C GLU A 55 37.318 27.972 -0.164 1.00 25.00 C ATOM 810 O GLU A 55 36.942 26.895 -0.633 1.00 25.00 O ATOM 811 CB GLU A 55 39.529 29.055 -0.433 1.00 25.00 C ATOM 812 CG GLU A 55 40.407 30.053 -1.144 1.00 25.00 C ATOM 813 CD GLU A 55 40.722 29.638 -2.575 1.00 25.00 C ATOM 814 OE1 GLU A 55 41.740 28.951 -2.792 1.00 25.00 O ATOM 815 OE2 GLU A 55 39.930 29.986 -3.485 1.00 25.00 O ATOM 0 H GLU A 55 38.080 31.028 -0.682 1.00 25.00 H new ATOM 0 HA GLU A 55 38.157 28.600 -2.032 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.467 29.327 0.621 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.000 28.073 -0.481 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.914 31.025 -1.151 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.338 30.172 -0.590 1.00 25.00 H new ATOM 822 N LYS A 56 37.016 28.350 1.071 1.00 25.00 N ATOM 823 CA LYS A 56 36.229 27.463 1.927 1.00 25.00 C ATOM 824 C LYS A 56 34.790 27.352 1.440 1.00 25.00 C ATOM 825 O LYS A 56 34.243 26.262 1.442 1.00 25.00 O ATOM 826 CB LYS A 56 36.352 27.811 3.427 1.00 25.00 C ATOM 827 CG LYS A 56 35.581 28.933 3.987 1.00 25.00 C ATOM 828 CD LYS A 56 36.047 29.182 5.444 1.00 25.00 C ATOM 829 CE LYS A 56 35.230 28.378 6.480 1.00 25.00 C ATOM 830 NZ LYS A 56 35.597 28.679 7.902 1.00 25.00 N ATOM 0 H LYS A 56 37.292 29.235 1.496 1.00 25.00 H new ATOM 0 HA LYS A 56 36.659 26.465 1.840 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.081 26.918 3.990 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.405 28.008 3.629 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.729 29.830 3.385 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.515 28.706 3.965 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.100 28.917 5.534 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.966 30.245 5.670 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.170 28.588 6.335 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.373 27.313 6.295 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.034 28.081 8.540 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.608 28.485 8.048 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.403 29.680 8.106 1.00 25.00 H new ATOM 844 N PHE A 57 34.203 28.433 0.944 1.00 25.00 N ATOM 845 CA PHE A 57 32.847 28.360 0.374 1.00 25.00 C ATOM 846 C PHE A 57 32.793 27.362 -0.781 1.00 25.00 C ATOM 847 O PHE A 57 31.955 26.478 -0.784 1.00 25.00 O ATOM 848 CB PHE A 57 32.350 29.743 -0.077 1.00 25.00 C ATOM 849 CG PHE A 57 30.948 29.724 -0.660 1.00 25.00 C ATOM 850 CD1 PHE A 57 29.813 29.848 0.168 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.759 29.571 -2.045 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.495 29.820 -0.394 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.452 29.540 -2.608 1.00 25.00 C ATOM 854 CZ PHE A 57 28.328 29.669 -1.797 1.00 25.00 C ATOM 0 H PHE A 57 34.628 29.360 0.920 1.00 25.00 H new ATOM 0 HA PHE A 57 32.179 28.009 1.161 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.371 30.423 0.775 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.039 30.143 -0.821 1.00 25.00 H new ATOM 0 HD1 PHE A 57 29.938 29.965 1.234 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.619 29.476 -2.692 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.631 29.913 0.247 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.331 29.415 -3.674 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.339 29.654 -2.230 1.00 25.00 H new ATOM 864 N SER A 58 33.710 27.473 -1.730 1.00 25.00 N ATOM 865 CA SER A 58 33.767 26.573 -2.878 1.00 25.00 C ATOM 866 C SER A 58 34.067 25.134 -2.487 1.00 25.00 C ATOM 867 O SER A 58 33.442 24.206 -2.990 1.00 25.00 O ATOM 868 CB SER A 58 34.849 27.060 -3.846 1.00 25.00 C ATOM 869 OG SER A 58 34.886 26.265 -5.015 1.00 25.00 O ATOM 0 H SER A 58 34.437 28.189 -1.728 1.00 25.00 H new ATOM 0 HA SER A 58 32.783 26.586 -3.346 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.658 28.099 -4.116 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.821 27.032 -3.353 1.00 25.00 H new ATOM 0 HG SER A 58 35.584 26.599 -5.616 1.00 25.00 H new ATOM 875 N ARG A 59 35.002 24.933 -1.570 1.00 25.00 N ATOM 876 CA ARG A 59 35.338 23.578 -1.136 1.00 25.00 C ATOM 877 C ARG A 59 34.124 22.917 -0.506 1.00 25.00 C ATOM 878 O ARG A 59 33.780 21.796 -0.850 1.00 25.00 O ATOM 879 CB ARG A 59 36.501 23.616 -0.138 1.00 25.00 C ATOM 880 CG ARG A 59 36.856 22.240 0.455 1.00 25.00 C ATOM 881 CD ARG A 59 36.424 22.133 1.918 1.00 25.00 C ATOM 882 NE ARG A 59 36.286 20.736 2.364 1.00 25.00 N ATOM 883 CZ ARG A 59 36.126 20.345 3.625 1.00 25.00 C ATOM 884 NH1 ARG A 59 36.108 21.193 4.625 1.00 25.00 N ATOM 885 NH2 ARG A 59 35.973 19.080 3.884 1.00 25.00 N ATOM 0 H ARG A 59 35.536 25.675 -1.116 1.00 25.00 H new ATOM 0 HA ARG A 59 35.643 22.995 -2.005 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.381 24.025 -0.635 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.248 24.297 0.675 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.372 21.456 -0.127 1.00 25.00 H new ATOM 0 HG3 ARG A 59 37.931 22.076 0.379 1.00 25.00 H new ATOM 0 HD2 ARG A 59 37.154 22.642 2.547 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.473 22.649 2.052 1.00 25.00 H new ATOM 0 HE ARG A 59 36.316 20.010 1.648 1.00 25.00 H new ATOM 0 HH11 ARG A 59 36.219 22.192 4.449 1.00 25.00 H new ATOM 0 HH12 ARG A 59 35.983 20.854 5.579 1.00 25.00 H new ATOM 0 HH21 ARG A 59 35.977 18.400 3.124 1.00 25.00 H new ATOM 0 HH22 ARG A 59 35.849 18.768 4.847 1.00 25.00 H new ATOM 899 N VAL A 60 33.467 23.618 0.401 1.00 25.00 N ATOM 900 CA VAL A 60 32.306 23.069 1.091 1.00 25.00 C ATOM 901 C VAL A 60 31.176 22.887 0.084 1.00 25.00 C ATOM 902 O VAL A 60 30.436 21.924 0.164 1.00 25.00 O ATOM 903 CB VAL A 60 31.881 23.963 2.294 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.631 23.413 2.965 1.00 25.00 C ATOM 905 CG2 VAL A 60 33.018 24.023 3.336 1.00 25.00 C ATOM 0 H VAL A 60 33.715 24.568 0.679 1.00 25.00 H new ATOM 0 HA VAL A 60 32.561 22.097 1.514 1.00 25.00 H new ATOM 0 HB VAL A 60 31.672 24.962 1.911 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.355 24.055 3.802 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.814 23.385 2.244 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.828 22.405 3.330 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.712 24.650 4.173 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.235 23.017 3.696 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.912 24.444 2.875 1.00 25.00 H new ATOM 915 N LEU A 61 31.079 23.770 -0.900 1.00 25.00 N ATOM 916 CA LEU A 61 30.060 23.646 -1.942 1.00 25.00 C ATOM 917 C LEU A 61 30.102 22.265 -2.592 1.00 25.00 C ATOM 918 O LEU A 61 29.067 21.636 -2.774 1.00 25.00 O ATOM 919 CB LEU A 61 30.272 24.711 -3.027 1.00 25.00 C ATOM 920 CG LEU A 61 29.053 24.994 -3.906 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.209 26.026 -3.218 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.431 25.515 -5.293 1.00 25.00 C ATOM 0 H LEU A 61 31.691 24.580 -1.002 1.00 25.00 H new ATOM 0 HA LEU A 61 29.088 23.788 -1.469 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.578 25.641 -2.547 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.097 24.396 -3.667 1.00 25.00 H new ATOM 0 HG LEU A 61 28.517 24.055 -4.047 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.332 26.244 -3.828 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.891 25.647 -2.247 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.790 26.938 -3.079 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.526 25.698 -5.872 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.992 26.444 -5.192 1.00 25.00 H new ATOM 0 HD23 LEU A 61 30.045 24.774 -5.805 1.00 25.00 H new ATOM 934 N VAL A 62 31.290 21.782 -2.920 1.00 25.00 N ATOM 935 CA VAL A 62 31.426 20.465 -3.546 1.00 25.00 C ATOM 936 C VAL A 62 31.067 19.373 -2.553 1.00 25.00 C ATOM 937 O VAL A 62 30.369 18.425 -2.890 1.00 25.00 O ATOM 938 CB VAL A 62 32.883 20.215 -4.041 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.011 18.831 -4.713 1.00 25.00 C ATOM 940 CG2 VAL A 62 33.295 21.298 -5.026 1.00 25.00 C ATOM 0 H VAL A 62 32.171 22.273 -2.767 1.00 25.00 H new ATOM 0 HA VAL A 62 30.749 20.443 -4.400 1.00 25.00 H new ATOM 0 HB VAL A 62 33.542 20.242 -3.173 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.037 18.683 -5.049 1.00 25.00 H new ATOM 0 HG12 VAL A 62 32.748 18.053 -3.996 1.00 25.00 H new ATOM 0 HG13 VAL A 62 32.338 18.779 -5.569 1.00 25.00 H new ATOM 0 HG21 VAL A 62 34.314 21.113 -5.365 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.620 21.287 -5.882 1.00 25.00 H new ATOM 0 HG23 VAL A 62 33.246 22.271 -4.538 1.00 25.00 H new ATOM 950 N GLU A 63 31.531 19.508 -1.323 1.00 25.00 N ATOM 951 CA GLU A 63 31.283 18.496 -0.296 1.00 25.00 C ATOM 952 C GLU A 63 29.782 18.342 -0.041 1.00 25.00 C ATOM 953 O GLU A 63 29.257 17.227 0.007 1.00 25.00 O ATOM 954 CB GLU A 63 32.010 18.874 1.001 1.00 25.00 C ATOM 955 CG GLU A 63 33.528 19.019 0.852 1.00 25.00 C ATOM 956 CD GLU A 63 34.281 17.700 0.856 1.00 25.00 C ATOM 957 OE1 GLU A 63 35.278 17.613 1.613 1.00 25.00 O ATOM 958 OE2 GLU A 63 33.954 16.797 0.058 1.00 25.00 O ATOM 0 H GLU A 63 32.082 20.306 -1.006 1.00 25.00 H new ATOM 0 HA GLU A 63 31.668 17.540 -0.650 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.601 19.814 1.372 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.801 18.115 1.755 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.742 19.544 -0.079 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.904 19.642 1.664 1.00 25.00 H new