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 72:sc= 1.73 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -179:sc= 0.84 (180deg=0.324) USER MOD Single : A 27 MET CE :methyl -169:sc= 0 (180deg=-0.106) USER MOD Single : A 31 ASN : amide:sc= -1.52 K(o=-1.5,f=-6.7!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0413 X(o=-0.041,f=0.001) 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= -0.103 K(o=-0.1,f=-3.6!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.456 28.941 -7.585 1.00 25.00 N ATOM 273 CA PRO A 21 30.451 29.290 -6.163 1.00 25.00 C ATOM 274 C PRO A 21 30.790 30.751 -5.929 1.00 25.00 C ATOM 275 O PRO A 21 30.315 31.344 -4.985 1.00 25.00 O ATOM 276 CB PRO A 21 31.548 28.392 -5.582 1.00 25.00 C ATOM 277 CG PRO A 21 32.384 28.045 -6.738 1.00 25.00 C ATOM 278 CD PRO A 21 31.467 27.913 -7.874 1.00 25.00 C ATOM 0 HA PRO A 21 29.471 29.147 -5.708 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.124 28.912 -4.817 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.127 27.502 -5.114 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.130 28.817 -6.926 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.925 27.115 -6.563 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.969 28.093 -8.824 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.029 26.916 -7.929 1.00 25.00 H new ATOM 286 N ALA A 22 31.593 31.341 -6.806 1.00 25.00 N ATOM 287 CA ALA A 22 31.956 32.744 -6.669 1.00 25.00 C ATOM 288 C ALA A 22 30.715 33.632 -6.748 1.00 25.00 C ATOM 289 O ALA A 22 30.542 34.532 -5.937 1.00 25.00 O ATOM 290 CB ALA A 22 32.967 33.131 -7.758 1.00 25.00 C ATOM 0 H ALA A 22 32.002 30.873 -7.614 1.00 25.00 H new ATOM 0 HA ALA A 22 32.416 32.893 -5.692 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.234 34.182 -7.649 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.862 32.517 -7.658 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.523 32.969 -8.740 1.00 25.00 H new ATOM 296 N LEU A 23 29.854 33.363 -7.719 1.00 25.00 N ATOM 297 CA LEU A 23 28.653 34.176 -7.917 1.00 25.00 C ATOM 298 C LEU A 23 27.634 33.886 -6.826 1.00 25.00 C ATOM 299 O LEU A 23 26.960 34.783 -6.338 1.00 25.00 O ATOM 300 CB LEU A 23 28.013 33.894 -9.286 1.00 25.00 C ATOM 301 CG LEU A 23 28.884 34.072 -10.543 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.037 33.770 -11.782 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.486 35.458 -10.675 1.00 25.00 C ATOM 0 H LEU A 23 29.960 32.594 -8.381 1.00 25.00 H new ATOM 0 HA LEU A 23 28.953 35.223 -7.874 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.645 32.868 -9.277 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.143 34.543 -9.388 1.00 25.00 H new ATOM 0 HG LEU A 23 29.719 33.377 -10.451 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.646 33.894 -12.678 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.670 32.745 -11.731 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.191 34.456 -11.821 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.086 35.509 -11.583 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.687 36.198 -10.726 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.117 35.664 -9.811 1.00 25.00 H new ATOM 315 N LEU A 24 27.526 32.623 -6.435 1.00 25.00 N ATOM 316 CA LEU A 24 26.571 32.236 -5.405 1.00 25.00 C ATOM 317 C LEU A 24 26.967 32.824 -4.056 1.00 25.00 C ATOM 318 O LEU A 24 26.123 33.316 -3.321 1.00 25.00 O ATOM 319 CB LEU A 24 26.475 30.710 -5.320 1.00 25.00 C ATOM 320 CG LEU A 24 25.445 30.130 -4.333 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.091 30.847 -4.375 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.242 28.653 -4.631 1.00 25.00 C ATOM 0 H LEU A 24 28.082 31.855 -6.811 1.00 25.00 H new ATOM 0 HA LEU A 24 25.592 32.632 -5.673 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.244 30.329 -6.315 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.458 30.323 -5.051 1.00 25.00 H new ATOM 0 HG LEU A 24 25.848 30.277 -3.331 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.414 30.388 -3.655 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.228 31.899 -4.124 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.667 30.765 -5.376 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.513 28.238 -3.934 1.00 25.00 H new ATOM 0 HD22 LEU A 24 24.877 28.534 -5.651 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.190 28.126 -4.521 1.00 25.00 H new ATOM 334 N ARG A 25 28.260 32.825 -3.760 1.00 25.00 N ATOM 335 CA ARG A 25 28.774 33.429 -2.528 1.00 25.00 C ATOM 336 C ARG A 25 28.388 34.889 -2.523 1.00 25.00 C ATOM 337 O ARG A 25 27.937 35.418 -1.527 1.00 25.00 O ATOM 338 CB ARG A 25 30.303 33.307 -2.488 1.00 25.00 C ATOM 339 CG ARG A 25 30.960 33.855 -1.229 1.00 25.00 C ATOM 340 CD ARG A 25 32.318 34.464 -1.540 1.00 25.00 C ATOM 341 NE ARG A 25 32.186 35.733 -2.283 1.00 25.00 N ATOM 342 CZ ARG A 25 33.035 36.754 -2.225 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.113 36.732 -1.479 1.00 25.00 N ATOM 344 NH2 ARG A 25 32.794 37.829 -2.922 1.00 25.00 N ATOM 0 H ARG A 25 28.978 32.414 -4.356 1.00 25.00 H new ATOM 0 HA ARG A 25 28.356 32.920 -1.659 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.571 32.256 -2.591 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.717 33.828 -3.352 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.315 34.609 -0.777 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.076 33.055 -0.498 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.860 34.640 -0.611 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.909 33.759 -2.125 1.00 25.00 H new ATOM 0 HE ARG A 25 31.374 35.835 -2.892 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.326 35.910 -0.915 1.00 25.00 H new ATOM 0 HH12 ARG A 25 34.739 37.537 -1.463 1.00 25.00 H new ATOM 0 HH21 ARG A 25 31.959 37.882 -3.506 1.00 25.00 H new ATOM 0 HH22 ARG A 25 33.440 38.617 -2.883 1.00 25.00 H new ATOM 358 N ASP A 26 28.572 35.533 -3.656 1.00 25.00 N ATOM 359 CA ASP A 26 28.292 36.952 -3.776 1.00 25.00 C ATOM 360 C ASP A 26 26.804 37.265 -3.573 1.00 25.00 C ATOM 361 O ASP A 26 26.451 38.161 -2.809 1.00 25.00 O ATOM 362 CB ASP A 26 28.762 37.414 -5.147 1.00 25.00 C ATOM 363 CG ASP A 26 29.496 38.730 -5.087 1.00 25.00 C ATOM 364 OD1 ASP A 26 30.513 38.783 -4.352 1.00 25.00 O ATOM 365 OD2 ASP A 26 29.120 39.681 -5.796 1.00 25.00 O ATOM 0 H ASP A 26 28.916 35.096 -4.511 1.00 25.00 H new ATOM 0 HA ASP A 26 28.827 37.489 -2.992 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.415 36.656 -5.579 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.902 37.510 -5.810 1.00 25.00 H new ATOM 370 N MET A 27 25.934 36.476 -4.192 1.00 25.00 N ATOM 371 CA MET A 27 24.483 36.631 -4.023 1.00 25.00 C ATOM 372 C MET A 27 24.083 36.409 -2.579 1.00 25.00 C ATOM 373 O MET A 27 23.282 37.150 -2.030 1.00 25.00 O ATOM 374 CB MET A 27 23.739 35.619 -4.893 1.00 25.00 C ATOM 375 CG MET A 27 22.231 35.831 -4.907 1.00 25.00 C ATOM 376 SD MET A 27 21.366 34.533 -5.813 1.00 25.00 S ATOM 377 CE MET A 27 21.244 33.240 -4.550 1.00 25.00 C ATOM 0 H MET A 27 26.203 35.718 -4.819 1.00 25.00 H new ATOM 0 HA MET A 27 24.220 37.646 -4.321 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.117 35.680 -5.913 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.954 34.613 -4.533 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.861 35.864 -3.882 1.00 25.00 H new ATOM 0 HG3 MET A 27 22.006 36.798 -5.358 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.912 32.310 -5.012 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.220 33.088 -4.089 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.526 33.543 -3.787 1.00 25.00 H new ATOM 387 N LEU A 28 24.633 35.376 -1.965 1.00 25.00 N ATOM 388 CA LEU A 28 24.311 35.045 -0.588 1.00 25.00 C ATOM 389 C LEU A 28 24.767 36.127 0.370 1.00 25.00 C ATOM 390 O LEU A 28 24.044 36.493 1.278 1.00 25.00 O ATOM 391 CB LEU A 28 24.964 33.745 -0.215 1.00 25.00 C ATOM 392 CG LEU A 28 24.099 32.554 -0.598 1.00 25.00 C ATOM 393 CD1 LEU A 28 24.965 31.365 -0.695 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.010 32.342 0.433 1.00 25.00 C ATOM 0 H LEU A 28 25.309 34.749 -2.401 1.00 25.00 H new ATOM 0 HA LEU A 28 23.227 34.959 -0.512 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.931 33.667 -0.711 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.154 33.727 0.858 1.00 25.00 H new ATOM 0 HG LEU A 28 23.615 32.735 -1.558 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.364 30.498 -0.969 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.728 31.532 -1.455 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.444 31.184 0.267 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.399 31.486 0.146 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.462 32.154 1.407 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.384 33.233 0.489 1.00 25.00 H new ATOM 406 N LEU A 29 25.962 36.651 0.149 1.00 25.00 N ATOM 407 CA LEU A 29 26.503 37.715 1.004 1.00 25.00 C ATOM 408 C LEU A 29 25.622 38.949 0.924 1.00 25.00 C ATOM 409 O LEU A 29 25.405 39.643 1.914 1.00 25.00 O ATOM 410 CB LEU A 29 27.923 38.093 0.564 1.00 25.00 C ATOM 411 CG LEU A 29 29.056 37.172 1.035 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.316 37.455 0.222 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.346 37.359 2.525 1.00 25.00 C ATOM 0 H LEU A 29 26.580 36.364 -0.610 1.00 25.00 H new ATOM 0 HA LEU A 29 26.529 37.343 2.028 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.944 38.129 -0.525 1.00 25.00 H new ATOM 0 HB3 LEU A 29 28.133 39.101 0.921 1.00 25.00 H new ATOM 0 HG LEU A 29 28.741 36.140 0.882 1.00 25.00 H new ATOM 0 HD11 LEU A 29 31.120 36.800 0.557 1.00 25.00 H new ATOM 0 HD12 LEU A 29 30.116 37.273 -0.834 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.613 38.495 0.361 1.00 25.00 H new ATOM 0 HD21 LEU A 29 30.154 36.691 2.825 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.641 38.392 2.712 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.451 37.127 3.102 1.00 25.00 H new ATOM 425 N ALA A 30 25.115 39.211 -0.268 1.00 25.00 N ATOM 426 CA ALA A 30 24.263 40.367 -0.508 1.00 25.00 C ATOM 427 C ALA A 30 22.823 40.147 -0.026 1.00 25.00 C ATOM 428 O ALA A 30 22.049 41.101 0.067 1.00 25.00 O ATOM 429 CB ALA A 30 24.269 40.696 -2.008 1.00 25.00 C ATOM 0 H ALA A 30 25.280 38.634 -1.093 1.00 25.00 H new ATOM 0 HA ALA A 30 24.666 41.201 0.066 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.632 41.561 -2.193 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.287 40.919 -2.327 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.892 39.841 -2.569 1.00 25.00 H new ATOM 435 N ASN A 31 22.441 38.900 0.226 1.00 25.00 N ATOM 436 CA ASN A 31 21.052 38.584 0.552 1.00 25.00 C ATOM 437 C ASN A 31 20.862 38.166 2.012 1.00 25.00 C ATOM 438 O ASN A 31 21.154 37.028 2.386 1.00 25.00 O ATOM 439 CB ASN A 31 20.549 37.481 -0.371 1.00 25.00 C ATOM 440 CG ASN A 31 19.065 37.372 -0.361 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.421 37.526 0.677 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.507 37.108 -1.503 1.00 25.00 N ATOM 0 H ASN A 31 23.067 38.095 0.212 1.00 25.00 H new ATOM 0 HA ASN A 31 20.473 39.496 0.406 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.890 37.677 -1.388 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.983 36.529 -0.067 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.493 37.020 -1.567 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.083 36.989 -2.336 1.00 25.00 H new ATOM 449 N PRO A 32 20.327 39.068 2.855 1.00 25.00 N ATOM 450 CA PRO A 32 20.219 38.707 4.272 1.00 25.00 C ATOM 451 C PRO A 32 19.246 37.567 4.595 1.00 25.00 C ATOM 452 O PRO A 32 19.426 36.873 5.590 1.00 25.00 O ATOM 453 CB PRO A 32 19.773 40.020 4.922 1.00 25.00 C ATOM 454 CG PRO A 32 19.043 40.732 3.841 1.00 25.00 C ATOM 455 CD PRO A 32 19.846 40.441 2.614 1.00 25.00 C ATOM 0 HA PRO A 32 21.164 38.308 4.640 1.00 25.00 H new ATOM 0 HB2 PRO A 32 19.131 39.840 5.784 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.626 40.599 5.275 1.00 25.00 H new ATOM 0 HG2 PRO A 32 18.020 40.370 3.744 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.985 41.803 4.036 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.240 40.504 1.710 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.671 41.143 2.495 1.00 25.00 H new ATOM 463 N HIS A 33 18.225 37.358 3.775 1.00 25.00 N ATOM 464 CA HIS A 33 17.276 36.273 4.028 1.00 25.00 C ATOM 465 C HIS A 33 17.889 34.931 3.649 1.00 25.00 C ATOM 466 O HIS A 33 17.748 33.929 4.350 1.00 25.00 O ATOM 467 CB HIS A 33 15.995 36.484 3.219 1.00 25.00 C ATOM 468 CG HIS A 33 14.933 35.469 3.514 1.00 25.00 C ATOM 469 ND1 HIS A 33 14.060 35.549 4.570 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.606 34.311 2.872 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.269 34.482 4.538 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.559 33.689 3.529 1.00 25.00 N ATOM 0 H HIS A 33 18.031 37.913 2.941 1.00 25.00 H new ATOM 0 HA HIS A 33 17.037 36.275 5.092 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.603 37.480 3.426 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.235 36.450 2.156 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.092 33.936 1.983 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.483 34.289 5.253 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.109 32.807 3.284 1.00 25.00 H new ATOM 480 N GLU A 34 18.567 34.921 2.518 1.00 25.00 N ATOM 481 CA GLU A 34 19.105 33.697 1.950 1.00 25.00 C ATOM 482 C GLU A 34 20.308 33.240 2.749 1.00 25.00 C ATOM 483 O GLU A 34 20.497 32.056 2.996 1.00 25.00 O ATOM 484 CB GLU A 34 19.480 33.961 0.498 1.00 25.00 C ATOM 485 CG GLU A 34 18.465 33.466 -0.495 1.00 25.00 C ATOM 486 CD GLU A 34 17.036 33.875 -0.148 1.00 25.00 C ATOM 487 OE1 GLU A 34 16.717 35.078 -0.205 1.00 25.00 O ATOM 488 OE2 GLU A 34 16.234 32.981 0.193 1.00 25.00 O ATOM 0 H GLU A 34 18.761 35.757 1.967 1.00 25.00 H new ATOM 0 HA GLU A 34 18.360 32.903 1.989 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.617 35.033 0.358 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.439 33.487 0.289 1.00 25.00 H new ATOM 0 HG2 GLU A 34 18.716 33.850 -1.484 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.521 32.379 -0.551 1.00 25.00 H new ATOM 495 N LEU A 35 21.089 34.187 3.226 1.00 25.00 N ATOM 496 CA LEU A 35 22.214 33.864 4.086 1.00 25.00 C ATOM 497 C LEU A 35 21.705 33.310 5.418 1.00 25.00 C ATOM 498 O LEU A 35 22.362 32.497 6.059 1.00 25.00 O ATOM 499 CB LEU A 35 23.115 35.067 4.222 1.00 25.00 C ATOM 500 CG LEU A 35 22.927 36.192 5.232 1.00 25.00 C ATOM 501 CD1 LEU A 35 23.075 35.810 6.693 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.995 37.167 4.835 1.00 25.00 C ATOM 0 H LEU A 35 20.969 35.182 3.036 1.00 25.00 H new ATOM 0 HA LEU A 35 22.825 33.077 3.644 1.00 25.00 H new ATOM 0 HB2 LEU A 35 24.116 34.673 4.397 1.00 25.00 H new ATOM 0 HB3 LEU A 35 23.127 35.544 3.242 1.00 25.00 H new ATOM 0 HG LEU A 35 21.904 36.565 5.193 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.920 36.690 7.317 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.336 35.051 6.947 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.076 35.414 6.866 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.962 38.032 5.497 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.971 36.689 4.912 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.829 37.490 3.807 1.00 25.00 H new ATOM 514 N SER A 36 20.528 33.764 5.828 1.00 25.00 N ATOM 515 CA SER A 36 19.924 33.341 7.087 1.00 25.00 C ATOM 516 C SER A 36 19.380 31.931 6.966 1.00 25.00 C ATOM 517 O SER A 36 19.568 31.123 7.853 1.00 25.00 O ATOM 518 CB SER A 36 18.808 34.290 7.520 1.00 25.00 C ATOM 519 OG SER A 36 18.384 33.990 8.841 1.00 25.00 O ATOM 0 H SER A 36 19.966 34.433 5.301 1.00 25.00 H new ATOM 0 HA SER A 36 20.704 33.363 7.848 1.00 25.00 H new ATOM 0 HB2 SER A 36 19.159 35.321 7.470 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.965 34.207 6.834 1.00 25.00 H new ATOM 0 HG SER A 36 17.670 34.608 9.104 1.00 25.00 H new ATOM 525 N LEU A 37 18.739 31.600 5.858 1.00 25.00 N ATOM 526 CA LEU A 37 18.248 30.237 5.684 1.00 25.00 C ATOM 527 C LEU A 37 19.404 29.315 5.621 1.00 25.00 C ATOM 528 O LEU A 37 19.333 28.188 6.033 1.00 25.00 O ATOM 529 CB LEU A 37 17.364 30.097 4.464 1.00 25.00 C ATOM 530 CG LEU A 37 17.803 30.091 2.994 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.487 28.799 2.587 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.560 30.291 2.138 1.00 25.00 C ATOM 0 H LEU A 37 18.548 32.234 5.082 1.00 25.00 H new ATOM 0 HA LEU A 37 17.623 29.981 6.539 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.823 29.162 4.607 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.634 30.903 4.543 1.00 25.00 H new ATOM 0 HG LEU A 37 18.530 30.890 2.851 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.774 28.855 1.537 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.376 28.650 3.199 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.802 27.963 2.732 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.840 30.291 1.085 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.855 29.481 2.326 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.094 31.244 2.390 1.00 25.00 H new ATOM 544 N LEU A 38 20.476 29.804 5.055 1.00 25.00 N ATOM 545 CA LEU A 38 21.649 29.003 4.895 1.00 25.00 C ATOM 546 C LEU A 38 22.273 28.618 6.224 1.00 25.00 C ATOM 547 O LEU A 38 22.596 27.465 6.428 1.00 25.00 O ATOM 548 CB LEU A 38 22.601 29.772 4.025 1.00 25.00 C ATOM 549 CG LEU A 38 23.840 28.985 3.587 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.452 27.774 2.774 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.795 29.854 2.802 1.00 25.00 C ATOM 0 H LEU A 38 20.556 30.756 4.698 1.00 25.00 H new ATOM 0 HA LEU A 38 21.389 28.056 4.423 1.00 25.00 H new ATOM 0 HB2 LEU A 38 22.068 30.110 3.136 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.924 30.664 4.562 1.00 25.00 H new ATOM 0 HG LEU A 38 24.348 28.650 4.491 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.350 27.233 2.476 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.818 27.121 3.374 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.908 28.092 1.885 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.663 29.265 2.506 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.294 30.233 1.912 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.118 30.691 3.421 1.00 25.00 H new ATOM 563 N LYS A 39 22.380 29.554 7.152 1.00 25.00 N ATOM 564 CA LYS A 39 22.889 29.216 8.495 1.00 25.00 C ATOM 565 C LYS A 39 21.916 28.344 9.267 1.00 25.00 C ATOM 566 O LYS A 39 22.338 27.521 10.065 1.00 25.00 O ATOM 567 CB LYS A 39 23.288 30.457 9.313 1.00 25.00 C ATOM 568 CG LYS A 39 22.266 31.585 9.339 1.00 25.00 C ATOM 569 CD LYS A 39 22.579 32.647 10.377 1.00 25.00 C ATOM 570 CE LYS A 39 23.776 33.497 9.964 1.00 25.00 C ATOM 571 NZ LYS A 39 24.026 34.585 10.962 1.00 25.00 N ATOM 0 H LYS A 39 22.131 30.534 7.018 1.00 25.00 H new ATOM 0 HA LYS A 39 23.799 28.639 8.332 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.485 30.146 10.339 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.224 30.848 8.913 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.221 32.050 8.354 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.279 31.169 9.540 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.708 33.287 10.518 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.783 32.171 11.336 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.662 32.868 9.876 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.596 33.933 8.981 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.845 35.151 10.661 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.187 35.197 11.026 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.220 34.164 11.893 1.00 25.00 H new ATOM 585 N GLU A 40 20.633 28.483 8.990 1.00 25.00 N ATOM 586 CA GLU A 40 19.628 27.652 9.646 1.00 25.00 C ATOM 587 C GLU A 40 19.631 26.225 9.082 1.00 25.00 C ATOM 588 O GLU A 40 19.615 25.249 9.824 1.00 25.00 O ATOM 589 CB GLU A 40 18.241 28.268 9.448 1.00 25.00 C ATOM 590 CG GLU A 40 17.999 29.537 10.269 1.00 25.00 C ATOM 591 CD GLU A 40 18.142 29.306 11.761 1.00 25.00 C ATOM 592 OE1 GLU A 40 18.996 29.973 12.386 1.00 25.00 O ATOM 593 OE2 GLU A 40 17.396 28.469 12.311 1.00 25.00 O ATOM 0 H GLU A 40 20.259 29.157 8.321 1.00 25.00 H new ATOM 0 HA GLU A 40 19.870 27.605 10.708 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.105 28.500 8.392 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.485 27.528 9.711 1.00 25.00 H new ATOM 0 HG2 GLU A 40 18.704 30.307 9.956 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.999 29.916 10.058 1.00 25.00 H new ATOM 600 N ARG A 41 19.594 26.106 7.761 1.00 25.00 N ATOM 601 CA ARG A 41 19.465 24.790 7.111 1.00 25.00 C ATOM 602 C ARG A 41 20.770 24.066 6.786 1.00 25.00 C ATOM 603 O ARG A 41 20.791 22.844 6.707 1.00 25.00 O ATOM 604 CB ARG A 41 18.645 24.950 5.834 1.00 25.00 C ATOM 605 CG ARG A 41 17.308 25.612 6.114 1.00 25.00 C ATOM 606 CD ARG A 41 16.354 25.539 4.937 1.00 25.00 C ATOM 607 NE ARG A 41 15.204 26.443 5.138 1.00 25.00 N ATOM 608 CZ ARG A 41 14.140 26.186 5.893 1.00 25.00 C ATOM 609 NH1 ARG A 41 13.994 25.062 6.553 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.200 27.086 5.988 1.00 25.00 N ATOM 0 H ARG A 41 19.650 26.893 7.115 1.00 25.00 H new ATOM 0 HA ARG A 41 18.975 24.155 7.849 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.204 25.546 5.113 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.481 23.973 5.380 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.847 25.135 6.979 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.474 26.657 6.376 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.879 25.809 4.020 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.000 24.515 4.812 1.00 25.00 H new ATOM 0 HE ARG A 41 15.228 27.342 4.656 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.714 24.342 6.499 1.00 25.00 H new ATOM 0 HH12 ARG A 41 13.160 24.908 7.120 1.00 25.00 H new ATOM 0 HH21 ARG A 41 13.288 27.970 5.487 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.377 26.905 6.563 1.00 25.00 H new ATOM 624 N ASN A 42 21.838 24.812 6.564 1.00 25.00 N ATOM 625 CA ASN A 42 23.153 24.227 6.231 1.00 25.00 C ATOM 626 C ASN A 42 24.329 24.905 6.946 1.00 25.00 C ATOM 627 O ASN A 42 25.140 25.584 6.304 1.00 25.00 O ATOM 628 CB ASN A 42 23.410 24.311 4.721 1.00 25.00 C ATOM 629 CG ASN A 42 24.471 23.341 4.265 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.096 22.671 5.061 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.667 23.253 2.984 1.00 25.00 N ATOM 0 H ASN A 42 21.834 25.831 6.605 1.00 25.00 H new ATOM 0 HA ASN A 42 23.102 23.192 6.570 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.482 24.109 4.185 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.713 25.326 4.462 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.365 22.605 2.618 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.123 23.832 2.344 1.00 25.00 H new ATOM 638 N PRO A 43 24.462 24.723 8.270 1.00 25.00 N ATOM 639 CA PRO A 43 25.560 25.440 8.939 1.00 25.00 C ATOM 640 C PRO A 43 27.006 25.284 8.394 1.00 25.00 C ATOM 641 O PRO A 43 27.732 26.281 8.364 1.00 25.00 O ATOM 642 CB PRO A 43 25.442 24.985 10.403 1.00 25.00 C ATOM 643 CG PRO A 43 24.594 23.752 10.374 1.00 25.00 C ATOM 644 CD PRO A 43 23.651 23.952 9.231 1.00 25.00 C ATOM 0 HA PRO A 43 25.429 26.507 8.762 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.423 24.776 10.829 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.986 25.760 11.019 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.202 22.859 10.231 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.054 23.623 11.312 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.318 23.003 8.810 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.757 24.497 9.535 1.00 25.00 H new ATOM 652 N PRO A 44 27.441 24.085 7.924 1.00 25.00 N ATOM 653 CA PRO A 44 28.827 24.139 7.420 1.00 25.00 C ATOM 654 C PRO A 44 29.029 24.946 6.126 1.00 25.00 C ATOM 655 O PRO A 44 30.069 25.571 5.949 1.00 25.00 O ATOM 656 CB PRO A 44 29.169 22.663 7.200 1.00 25.00 C ATOM 657 CG PRO A 44 27.877 22.032 6.890 1.00 25.00 C ATOM 658 CD PRO A 44 26.903 22.712 7.817 1.00 25.00 C ATOM 0 HA PRO A 44 29.470 24.663 8.128 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.879 22.537 6.383 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.623 22.223 8.088 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.602 22.179 5.846 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.907 20.956 7.063 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.891 22.706 7.412 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.861 22.219 8.788 1.00 25.00 H new ATOM 666 N LEU A 45 28.052 24.969 5.223 1.00 25.00 N ATOM 667 CA LEU A 45 28.194 25.794 4.019 1.00 25.00 C ATOM 668 C LEU A 45 27.979 27.240 4.415 1.00 25.00 C ATOM 669 O LEU A 45 28.548 28.162 3.836 1.00 25.00 O ATOM 670 CB LEU A 45 27.206 25.388 2.926 1.00 25.00 C ATOM 671 CG LEU A 45 27.336 26.146 1.584 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.748 26.060 0.974 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.323 25.583 0.593 1.00 25.00 C ATOM 0 H LEU A 45 27.179 24.446 5.293 1.00 25.00 H new ATOM 0 HA LEU A 45 29.192 25.651 3.605 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.326 24.322 2.732 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.194 25.531 3.306 1.00 25.00 H new ATOM 0 HG LEU A 45 27.142 27.199 1.789 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.773 26.612 0.034 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.471 26.491 1.667 1.00 25.00 H new ATOM 0 HD13 LEU A 45 29.001 25.016 0.788 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.409 26.113 -0.356 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.519 24.522 0.435 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.316 25.711 0.990 1.00 25.00 H new ATOM 685 N ALA A 46 27.159 27.442 5.429 1.00 25.00 N ATOM 686 CA ALA A 46 26.901 28.782 5.895 1.00 25.00 C ATOM 687 C ALA A 46 28.132 29.446 6.468 1.00 25.00 C ATOM 688 O ALA A 46 28.415 30.556 6.095 1.00 25.00 O ATOM 689 CB ALA A 46 25.835 28.772 6.914 1.00 25.00 C ATOM 0 H ALA A 46 26.669 26.705 5.936 1.00 25.00 H new ATOM 0 HA ALA A 46 26.586 29.360 5.026 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.650 29.790 7.257 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.922 28.364 6.481 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.144 28.155 7.758 1.00 25.00 H new ATOM 695 N GLU A 47 28.861 28.794 7.367 1.00 25.00 N ATOM 696 CA GLU A 47 30.010 29.454 8.009 1.00 25.00 C ATOM 697 C GLU A 47 31.064 29.828 6.970 1.00 25.00 C ATOM 698 O GLU A 47 31.707 30.878 7.055 1.00 25.00 O ATOM 699 CB GLU A 47 30.599 28.627 9.137 1.00 25.00 C ATOM 700 CG GLU A 47 31.095 27.293 8.734 1.00 25.00 C ATOM 701 CD GLU A 47 32.548 27.082 9.136 1.00 25.00 C ATOM 702 OE1 GLU A 47 32.830 26.153 9.912 1.00 25.00 O ATOM 703 OE2 GLU A 47 33.412 27.877 8.685 1.00 25.00 O ATOM 0 H GLU A 47 28.690 27.834 7.667 1.00 25.00 H new ATOM 0 HA GLU A 47 29.644 30.373 8.467 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.421 29.184 9.586 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.841 28.499 9.909 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.476 26.522 9.192 1.00 25.00 H new ATOM 0 HG3 GLU A 47 30.997 27.180 7.654 1.00 25.00 H new ATOM 710 N ALA A 48 31.144 29.011 5.932 1.00 25.00 N ATOM 711 CA ALA A 48 31.961 29.267 4.784 1.00 25.00 C ATOM 712 C ALA A 48 31.590 30.579 4.115 1.00 25.00 C ATOM 713 O ALA A 48 32.450 31.400 3.800 1.00 25.00 O ATOM 714 CB ALA A 48 31.819 28.085 3.812 1.00 25.00 C ATOM 0 H ALA A 48 30.626 28.134 5.875 1.00 25.00 H new ATOM 0 HA ALA A 48 33.001 29.363 5.095 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.435 28.263 2.931 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.145 27.168 4.304 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.776 27.984 3.511 1.00 25.00 H new ATOM 720 N LEU A 49 30.298 30.785 3.946 1.00 25.00 N ATOM 721 CA LEU A 49 29.787 32.004 3.359 1.00 25.00 C ATOM 722 C LEU A 49 30.037 33.187 4.278 1.00 25.00 C ATOM 723 O LEU A 49 30.440 34.254 3.826 1.00 25.00 O ATOM 724 CB LEU A 49 28.280 31.841 3.114 1.00 25.00 C ATOM 725 CG LEU A 49 27.528 32.908 2.312 1.00 25.00 C ATOM 726 CD1 LEU A 49 27.106 34.103 3.124 1.00 25.00 C ATOM 727 CD2 LEU A 49 28.331 33.365 1.122 1.00 25.00 C ATOM 0 H LEU A 49 29.577 30.114 4.211 1.00 25.00 H new ATOM 0 HA LEU A 49 30.300 32.192 2.416 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.132 30.887 2.608 1.00 25.00 H new ATOM 0 HB3 LEU A 49 27.797 31.763 4.088 1.00 25.00 H new ATOM 0 HG LEU A 49 26.615 32.416 1.977 1.00 25.00 H new ATOM 0 HD11 LEU A 49 26.580 34.811 2.483 1.00 25.00 H new ATOM 0 HD12 LEU A 49 26.445 33.781 3.928 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.987 34.583 3.549 1.00 25.00 H new ATOM 0 HD21 LEU A 49 27.770 34.122 0.574 1.00 25.00 H new ATOM 0 HD22 LEU A 49 29.276 33.789 1.462 1.00 25.00 H new ATOM 0 HD23 LEU A 49 28.529 32.515 0.468 1.00 25.00 H new ATOM 739 N LEU A 50 29.787 33.000 5.568 1.00 25.00 N ATOM 740 CA LEU A 50 29.862 34.105 6.525 1.00 25.00 C ATOM 741 C LEU A 50 31.279 34.654 6.603 1.00 25.00 C ATOM 742 O LEU A 50 31.490 35.832 6.859 1.00 25.00 O ATOM 743 CB LEU A 50 29.464 33.668 7.948 1.00 25.00 C ATOM 744 CG LEU A 50 28.184 32.860 8.202 1.00 25.00 C ATOM 745 CD1 LEU A 50 27.908 32.767 9.681 1.00 25.00 C ATOM 746 CD2 LEU A 50 26.969 33.363 7.439 1.00 25.00 C ATOM 0 H LEU A 50 29.532 32.101 5.977 1.00 25.00 H new ATOM 0 HA LEU A 50 29.166 34.863 6.166 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.294 33.083 8.345 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.394 34.573 8.551 1.00 25.00 H new ATOM 0 HG LEU A 50 28.370 31.861 7.808 1.00 25.00 H new ATOM 0 HD11 LEU A 50 26.997 32.191 9.846 1.00 25.00 H new ATOM 0 HD12 LEU A 50 28.744 32.274 10.177 1.00 25.00 H new ATOM 0 HD13 LEU A 50 27.783 33.769 10.092 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.107 32.738 7.674 1.00 25.00 H new ATOM 0 HD22 LEU A 50 26.759 34.393 7.727 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.168 33.319 6.368 1.00 25.00 H new ATOM 758 N SER A 51 32.245 33.767 6.414 1.00 25.00 N ATOM 759 CA SER A 51 33.647 34.117 6.481 1.00 25.00 C ATOM 760 C SER A 51 34.082 34.982 5.302 1.00 25.00 C ATOM 761 O SER A 51 35.082 35.686 5.375 1.00 25.00 O ATOM 762 CB SER A 51 34.456 32.842 6.465 1.00 25.00 C ATOM 763 OG SER A 51 34.139 32.012 7.572 1.00 25.00 O ATOM 0 H SER A 51 32.073 32.783 6.210 1.00 25.00 H new ATOM 0 HA SER A 51 33.810 34.689 7.395 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.267 32.301 5.538 1.00 25.00 H new ATOM 0 HB3 SER A 51 35.519 33.084 6.482 1.00 25.00 H new ATOM 0 HG SER A 51 33.248 31.625 7.446 1.00 25.00 H new ATOM 769 N GLY A 52 33.358 34.877 4.194 1.00 25.00 N ATOM 770 CA GLY A 52 33.685 35.626 2.989 1.00 25.00 C ATOM 771 C GLY A 52 34.713 34.922 2.123 1.00 25.00 C ATOM 772 O GLY A 52 34.881 35.255 0.947 1.00 25.00 O ATOM 0 H GLY A 52 32.537 34.278 4.106 1.00 25.00 H new ATOM 0 HA2 GLY A 52 32.777 35.788 2.409 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.064 36.609 3.269 1.00 25.00 H new ATOM 776 N ASP A 53 35.390 33.937 2.697 1.00 25.00 N ATOM 777 CA ASP A 53 36.401 33.165 1.978 1.00 25.00 C ATOM 778 C ASP A 53 35.761 32.359 0.858 1.00 25.00 C ATOM 779 O ASP A 53 34.977 31.444 1.110 1.00 25.00 O ATOM 780 CB ASP A 53 37.091 32.163 2.898 1.00 25.00 C ATOM 781 CG ASP A 53 38.226 31.461 2.217 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.595 30.366 2.669 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.697 31.962 1.179 1.00 25.00 O ATOM 0 H ASP A 53 35.257 33.650 3.667 1.00 25.00 H new ATOM 0 HA ASP A 53 37.121 33.883 1.586 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.464 32.680 3.782 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.364 31.427 3.242 1.00 25.00 H new ATOM 788 N LEU A 54 36.116 32.659 -0.379 1.00 25.00 N ATOM 789 CA LEU A 54 35.598 31.891 -1.498 1.00 25.00 C ATOM 790 C LEU A 54 36.156 30.481 -1.447 1.00 25.00 C ATOM 791 O LEU A 54 35.464 29.538 -1.767 1.00 25.00 O ATOM 792 CB LEU A 54 35.973 32.547 -2.828 1.00 25.00 C ATOM 793 CG LEU A 54 35.435 31.908 -4.127 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.372 30.835 -4.694 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.008 31.345 -4.004 1.00 25.00 C ATOM 0 H LEU A 54 36.751 33.416 -0.632 1.00 25.00 H new ATOM 0 HA LEU A 54 34.511 31.859 -1.424 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.632 33.582 -2.798 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.061 32.572 -2.893 1.00 25.00 H new ATOM 0 HG LEU A 54 35.394 32.740 -4.830 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.942 30.422 -5.606 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.341 31.280 -4.919 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.500 30.039 -3.960 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.703 30.914 -4.958 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.986 30.574 -3.234 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.322 32.148 -3.733 1.00 25.00 H new ATOM 807 N GLU A 55 37.398 30.327 -1.037 1.00 25.00 N ATOM 808 CA GLU A 55 38.022 29.007 -1.033 1.00 25.00 C ATOM 809 C GLU A 55 37.246 28.047 -0.155 1.00 25.00 C ATOM 810 O GLU A 55 36.823 26.988 -0.605 1.00 25.00 O ATOM 811 CB GLU A 55 39.457 29.094 -0.536 1.00 25.00 C ATOM 812 CG GLU A 55 40.258 30.155 -1.222 1.00 25.00 C ATOM 813 CD GLU A 55 40.293 29.972 -2.735 1.00 25.00 C ATOM 814 OE1 GLU A 55 40.685 28.881 -3.202 1.00 25.00 O ATOM 815 OE2 GLU A 55 39.872 30.907 -3.455 1.00 25.00 O ATOM 0 H GLU A 55 37.994 31.085 -0.705 1.00 25.00 H new ATOM 0 HA GLU A 55 38.018 28.636 -2.058 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.451 29.289 0.536 1.00 25.00 H new ATOM 0 HB3 GLU A 55 39.944 28.130 -0.682 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.837 31.133 -0.987 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.277 30.145 -0.834 1.00 25.00 H new ATOM 822 N LYS A 56 37.006 28.438 1.088 1.00 25.00 N ATOM 823 CA LYS A 56 36.221 27.599 1.997 1.00 25.00 C ATOM 824 C LYS A 56 34.796 27.470 1.475 1.00 25.00 C ATOM 825 O LYS A 56 34.229 26.399 1.537 1.00 25.00 O ATOM 826 CB LYS A 56 36.287 28.094 3.466 1.00 25.00 C ATOM 827 CG LYS A 56 35.346 29.100 3.890 1.00 25.00 C ATOM 828 CD LYS A 56 35.808 29.705 5.235 1.00 25.00 C ATOM 829 CE LYS A 56 35.253 28.930 6.436 1.00 25.00 C ATOM 830 NZ LYS A 56 35.667 29.453 7.771 1.00 25.00 N ATOM 0 H LYS A 56 37.335 29.316 1.491 1.00 25.00 H new ATOM 0 HA LYS A 56 36.662 26.602 2.017 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.162 27.227 4.115 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.290 28.482 3.642 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.269 29.882 3.135 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.354 28.662 3.998 1.00 25.00 H new ATOM 0 HD2 LYS A 56 36.897 29.706 5.277 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.486 30.745 5.294 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.164 28.937 6.382 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.570 27.890 6.356 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.259 28.857 8.519 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.704 29.437 7.844 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.327 30.430 7.882 1.00 25.00 H new ATOM 844 N PHE A 57 34.235 28.524 0.895 1.00 25.00 N ATOM 845 CA PHE A 57 32.882 28.435 0.347 1.00 25.00 C ATOM 846 C PHE A 57 32.804 27.395 -0.763 1.00 25.00 C ATOM 847 O PHE A 57 31.973 26.506 -0.708 1.00 25.00 O ATOM 848 CB PHE A 57 32.402 29.795 -0.151 1.00 25.00 C ATOM 849 CG PHE A 57 30.977 29.785 -0.632 1.00 25.00 C ATOM 850 CD1 PHE A 57 29.918 29.922 0.283 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.682 29.634 -1.998 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.571 29.921 -0.159 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.340 29.625 -2.450 1.00 25.00 C ATOM 854 CZ PHE A 57 28.286 29.770 -1.529 1.00 25.00 C ATOM 0 H PHE A 57 34.683 29.435 0.791 1.00 25.00 H new ATOM 0 HA PHE A 57 32.220 28.116 1.152 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.501 30.524 0.653 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.050 30.126 -0.963 1.00 25.00 H new ATOM 0 HD1 PHE A 57 30.134 30.029 1.336 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.487 29.524 -2.710 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.767 30.036 0.553 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.125 29.507 -3.502 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.262 29.765 -1.872 1.00 25.00 H new ATOM 864 N SER A 58 33.687 27.480 -1.744 1.00 25.00 N ATOM 865 CA SER A 58 33.718 26.530 -2.851 1.00 25.00 C ATOM 866 C SER A 58 34.073 25.117 -2.403 1.00 25.00 C ATOM 867 O SER A 58 33.497 24.141 -2.885 1.00 25.00 O ATOM 868 CB SER A 58 34.746 26.998 -3.885 1.00 25.00 C ATOM 869 OG SER A 58 34.743 26.158 -5.023 1.00 25.00 O ATOM 0 H SER A 58 34.402 28.206 -1.799 1.00 25.00 H new ATOM 0 HA SER A 58 32.716 26.496 -3.279 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.524 28.022 -4.185 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.740 27.005 -3.437 1.00 25.00 H new ATOM 0 HG SER A 58 35.407 26.479 -5.668 1.00 25.00 H new ATOM 875 N ARG A 59 34.995 25.004 -1.458 1.00 25.00 N ATOM 876 CA ARG A 59 35.416 23.700 -0.944 1.00 25.00 C ATOM 877 C ARG A 59 34.227 22.995 -0.320 1.00 25.00 C ATOM 878 O ARG A 59 33.974 21.831 -0.597 1.00 25.00 O ATOM 879 CB ARG A 59 36.537 23.883 0.090 1.00 25.00 C ATOM 880 CG ARG A 59 36.998 22.594 0.757 1.00 25.00 C ATOM 881 CD ARG A 59 36.706 22.635 2.252 1.00 25.00 C ATOM 882 NE ARG A 59 36.802 21.297 2.846 1.00 25.00 N ATOM 883 CZ ARG A 59 37.862 20.776 3.446 1.00 25.00 C ATOM 884 NH1 ARG A 59 38.981 21.442 3.612 1.00 25.00 N ATOM 885 NH2 ARG A 59 37.790 19.556 3.885 1.00 25.00 N ATOM 0 H ARG A 59 35.469 25.798 -1.028 1.00 25.00 H new ATOM 0 HA ARG A 59 35.798 23.091 -1.763 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.392 24.350 -0.399 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.194 24.573 0.861 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.491 21.742 0.304 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.066 22.454 0.592 1.00 25.00 H new ATOM 0 HD2 ARG A 59 37.409 23.306 2.745 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.708 23.040 2.420 1.00 25.00 H new ATOM 0 HE ARG A 59 35.970 20.710 2.792 1.00 25.00 H new ATOM 0 HH11 ARG A 59 39.059 22.401 3.273 1.00 25.00 H new ATOM 0 HH12 ARG A 59 39.773 21.001 4.080 1.00 25.00 H new ATOM 0 HH21 ARG A 59 36.930 19.021 3.764 1.00 25.00 H new ATOM 0 HH22 ARG A 59 38.593 19.133 4.350 1.00 25.00 H new ATOM 899 N VAL A 60 33.475 23.705 0.497 1.00 25.00 N ATOM 900 CA VAL A 60 32.321 23.099 1.137 1.00 25.00 C ATOM 901 C VAL A 60 31.214 22.902 0.104 1.00 25.00 C ATOM 902 O VAL A 60 30.494 21.916 0.147 1.00 25.00 O ATOM 903 CB VAL A 60 31.825 23.944 2.332 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.633 23.260 2.998 1.00 25.00 C ATOM 905 CG2 VAL A 60 32.958 24.123 3.368 1.00 25.00 C ATOM 0 H VAL A 60 33.636 24.684 0.732 1.00 25.00 H new ATOM 0 HA VAL A 60 32.613 22.128 1.537 1.00 25.00 H new ATOM 0 HB VAL A 60 31.520 24.923 1.961 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.291 23.863 3.839 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.824 23.153 2.275 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.932 22.275 3.356 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.595 24.720 4.205 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.277 23.146 3.731 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.802 24.629 2.900 1.00 25.00 H new ATOM 915 N LEU A 61 31.099 23.811 -0.854 1.00 25.00 N ATOM 916 CA LEU A 61 30.075 23.701 -1.896 1.00 25.00 C ATOM 917 C LEU A 61 30.210 22.386 -2.661 1.00 25.00 C ATOM 918 O LEU A 61 29.216 21.700 -2.897 1.00 25.00 O ATOM 919 CB LEU A 61 30.186 24.879 -2.878 1.00 25.00 C ATOM 920 CG LEU A 61 28.970 25.108 -3.789 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.121 26.218 -3.203 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.361 25.498 -5.215 1.00 25.00 C ATOM 0 H LEU A 61 31.698 24.633 -0.936 1.00 25.00 H new ATOM 0 HA LEU A 61 29.100 23.723 -1.410 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.363 25.789 -2.305 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.063 24.722 -3.507 1.00 25.00 H new ATOM 0 HG LEU A 61 28.423 24.166 -3.842 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.255 26.389 -3.842 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.786 25.932 -2.206 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.711 27.132 -3.139 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.461 25.646 -5.811 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.939 26.422 -5.194 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.962 24.704 -5.657 1.00 25.00 H new ATOM 934 N VAL A 62 31.427 22.014 -3.034 1.00 25.00 N ATOM 935 CA VAL A 62 31.629 20.764 -3.766 1.00 25.00 C ATOM 936 C VAL A 62 31.495 19.553 -2.837 1.00 25.00 C ATOM 937 O VAL A 62 30.926 18.541 -3.221 1.00 25.00 O ATOM 938 CB VAL A 62 32.984 20.759 -4.560 1.00 25.00 C ATOM 939 CG1 VAL A 62 34.213 20.761 -3.645 1.00 25.00 C ATOM 940 CG2 VAL A 62 33.040 19.561 -5.496 1.00 25.00 C ATOM 0 H VAL A 62 32.277 22.546 -2.848 1.00 25.00 H new ATOM 0 HA VAL A 62 30.838 20.688 -4.512 1.00 25.00 H new ATOM 0 HB VAL A 62 33.012 21.684 -5.136 1.00 25.00 H new ATOM 0 HG11 VAL A 62 35.118 20.757 -4.252 1.00 25.00 H new ATOM 0 HG12 VAL A 62 34.199 21.653 -3.019 1.00 25.00 H new ATOM 0 HG13 VAL A 62 34.197 19.874 -3.012 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.984 19.569 -6.041 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.964 18.642 -4.915 1.00 25.00 H new ATOM 0 HG23 VAL A 62 32.212 19.613 -6.203 1.00 25.00 H new ATOM 950 N GLU A 63 31.948 19.664 -1.600 1.00 25.00 N ATOM 951 CA GLU A 63 31.796 18.570 -0.627 1.00 25.00 C ATOM 952 C GLU A 63 30.324 18.265 -0.363 1.00 25.00 C ATOM 953 O GLU A 63 29.919 17.105 -0.316 1.00 25.00 O ATOM 954 CB GLU A 63 32.463 18.929 0.696 1.00 25.00 C ATOM 955 CG GLU A 63 33.968 18.757 0.681 1.00 25.00 C ATOM 956 CD GLU A 63 34.602 19.180 1.992 1.00 25.00 C ATOM 957 OE1 GLU A 63 34.190 20.217 2.554 1.00 25.00 O ATOM 958 OE2 GLU A 63 35.564 18.521 2.438 1.00 25.00 O ATOM 0 H GLU A 63 32.423 20.491 -1.237 1.00 25.00 H new ATOM 0 HA GLU A 63 32.275 17.690 -1.056 1.00 25.00 H new ATOM 0 HB2 GLU A 63 32.226 19.964 0.944 1.00 25.00 H new ATOM 0 HB3 GLU A 63 32.042 18.307 1.486 1.00 25.00 H new ATOM 0 HG2 GLU A 63 34.212 17.714 0.481 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.392 19.345 -0.133 1.00 25.00 H new