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 75:sc= 1.81 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -170:sc= 0.773 (180deg=0) USER MOD Single : A 27 MET CE :methyl -111:sc= 0 (180deg=-0.129) USER MOD Single : A 31 ASN : amide:sc= -2.19! C(o=-2.2!,f=-6.6!) 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= -0.0204 K(o=-0.02,f=-2.8!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.478 28.822 -7.424 1.00 25.00 N ATOM 273 CA PRO A 21 30.537 29.254 -6.022 1.00 25.00 C ATOM 274 C PRO A 21 30.861 30.730 -5.868 1.00 25.00 C ATOM 275 O PRO A 21 30.401 31.364 -4.939 1.00 25.00 O ATOM 276 CB PRO A 21 31.672 28.400 -5.439 1.00 25.00 C ATOM 277 CG PRO A 21 32.454 27.970 -6.607 1.00 25.00 C ATOM 278 CD PRO A 21 31.476 27.778 -7.699 1.00 25.00 C ATOM 0 HA PRO A 21 29.576 29.126 -5.523 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.283 28.975 -4.743 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.281 27.545 -4.888 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.198 28.719 -6.876 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.993 27.046 -6.398 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.934 27.904 -8.680 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.036 26.781 -7.678 1.00 25.00 H new ATOM 286 N ALA A 22 31.637 31.287 -6.788 1.00 25.00 N ATOM 287 CA ALA A 22 32.005 32.696 -6.717 1.00 25.00 C ATOM 288 C ALA A 22 30.777 33.603 -6.807 1.00 25.00 C ATOM 289 O ALA A 22 30.668 34.575 -6.062 1.00 25.00 O ATOM 290 CB ALA A 22 33.001 33.026 -7.832 1.00 25.00 C ATOM 0 H ALA A 22 32.023 30.788 -7.589 1.00 25.00 H new ATOM 0 HA ALA A 22 32.473 32.879 -5.750 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.274 34.080 -7.776 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.895 32.413 -7.715 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.545 32.820 -8.800 1.00 25.00 H new ATOM 296 N LEU A 23 29.863 33.275 -7.713 1.00 25.00 N ATOM 297 CA LEU A 23 28.664 34.084 -7.915 1.00 25.00 C ATOM 298 C LEU A 23 27.663 33.829 -6.798 1.00 25.00 C ATOM 299 O LEU A 23 27.014 34.748 -6.318 1.00 25.00 O ATOM 300 CB LEU A 23 27.997 33.757 -9.261 1.00 25.00 C ATOM 301 CG LEU A 23 28.842 33.872 -10.545 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.962 33.534 -11.750 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.466 35.236 -10.748 1.00 25.00 C ATOM 0 H LEU A 23 29.928 32.457 -8.319 1.00 25.00 H new ATOM 0 HA LEU A 23 28.967 35.131 -7.912 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.617 32.737 -9.204 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.134 34.413 -9.372 1.00 25.00 H new ATOM 0 HG LEU A 23 29.668 33.168 -10.442 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.551 33.612 -12.664 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.582 32.517 -11.649 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.125 34.231 -11.796 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.044 35.238 -11.672 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.681 35.990 -10.810 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.123 35.464 -9.908 1.00 25.00 H new ATOM 315 N LEU A 24 27.544 32.578 -6.374 1.00 25.00 N ATOM 316 CA LEU A 24 26.591 32.237 -5.322 1.00 25.00 C ATOM 317 C LEU A 24 27.000 32.874 -4.002 1.00 25.00 C ATOM 318 O LEU A 24 26.165 33.404 -3.290 1.00 25.00 O ATOM 319 CB LEU A 24 26.478 30.718 -5.170 1.00 25.00 C ATOM 320 CG LEU A 24 25.408 30.221 -4.179 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.047 30.892 -4.380 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.251 28.719 -4.307 1.00 25.00 C ATOM 0 H LEU A 24 28.085 31.792 -6.734 1.00 25.00 H new ATOM 0 HA LEU A 24 25.614 32.629 -5.606 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.267 30.289 -6.149 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.447 30.330 -4.854 1.00 25.00 H new ATOM 0 HG LEU A 24 25.755 30.488 -3.181 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.337 30.500 -3.652 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.149 31.969 -4.244 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.685 30.686 -5.387 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.494 28.371 -3.605 1.00 25.00 H new ATOM 0 HD22 LEU A 24 24.945 28.470 -5.323 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.201 28.234 -4.085 1.00 25.00 H new ATOM 334 N ARG A 25 28.294 32.875 -3.715 1.00 25.00 N ATOM 335 CA ARG A 25 28.836 33.534 -2.532 1.00 25.00 C ATOM 336 C ARG A 25 28.438 35.001 -2.547 1.00 25.00 C ATOM 337 O ARG A 25 28.010 35.539 -1.541 1.00 25.00 O ATOM 338 CB ARG A 25 30.368 33.366 -2.544 1.00 25.00 C ATOM 339 CG ARG A 25 31.152 34.068 -1.436 1.00 25.00 C ATOM 340 CD ARG A 25 31.562 35.494 -1.815 1.00 25.00 C ATOM 341 NE ARG A 25 32.377 35.571 -3.040 1.00 25.00 N ATOM 342 CZ ARG A 25 33.698 35.685 -3.080 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.443 35.722 -1.999 1.00 25.00 N ATOM 344 NH2 ARG A 25 34.282 35.770 -4.242 1.00 25.00 N ATOM 0 H ARG A 25 28.999 32.419 -4.295 1.00 25.00 H new ATOM 0 HA ARG A 25 28.439 33.089 -1.620 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.592 32.300 -2.495 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.741 33.726 -3.503 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.546 34.097 -0.530 1.00 25.00 H new ATOM 0 HG3 ARG A 25 32.045 33.487 -1.204 1.00 25.00 H new ATOM 0 HD2 ARG A 25 30.664 36.097 -1.948 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.121 35.933 -0.989 1.00 25.00 H new ATOM 0 HE ARG A 25 31.884 35.534 -3.932 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.009 35.662 -1.078 1.00 25.00 H new ATOM 0 HH12 ARG A 25 35.456 35.811 -2.080 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.724 35.748 -5.096 1.00 25.00 H new ATOM 0 HH22 ARG A 25 35.297 35.858 -4.298 1.00 25.00 H new ATOM 358 N ASP A 26 28.581 35.641 -3.693 1.00 25.00 N ATOM 359 CA ASP A 26 28.278 37.069 -3.815 1.00 25.00 C ATOM 360 C ASP A 26 26.784 37.349 -3.623 1.00 25.00 C ATOM 361 O ASP A 26 26.401 38.251 -2.880 1.00 25.00 O ATOM 362 CB ASP A 26 28.736 37.571 -5.184 1.00 25.00 C ATOM 363 CG ASP A 26 28.876 39.075 -5.229 1.00 25.00 C ATOM 364 OD1 ASP A 26 29.665 39.613 -4.422 1.00 25.00 O ATOM 365 OD2 ASP A 26 28.264 39.712 -6.110 1.00 25.00 O ATOM 0 H ASP A 26 28.904 35.202 -4.555 1.00 25.00 H new ATOM 0 HA ASP A 26 28.814 37.600 -3.028 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.692 37.112 -5.435 1.00 25.00 H new ATOM 0 HB3 ASP A 26 28.021 37.253 -5.943 1.00 25.00 H new ATOM 370 N MET A 27 25.944 36.530 -4.247 1.00 25.00 N ATOM 371 CA MET A 27 24.487 36.661 -4.125 1.00 25.00 C ATOM 372 C MET A 27 24.072 36.508 -2.679 1.00 25.00 C ATOM 373 O MET A 27 23.331 37.316 -2.140 1.00 25.00 O ATOM 374 CB MET A 27 23.798 35.570 -4.955 1.00 25.00 C ATOM 375 CG MET A 27 22.278 35.719 -5.088 1.00 25.00 C ATOM 376 SD MET A 27 21.284 35.282 -3.614 1.00 25.00 S ATOM 377 CE MET A 27 21.399 33.470 -3.576 1.00 25.00 C ATOM 0 H MET A 27 26.245 35.762 -4.847 1.00 25.00 H new ATOM 0 HA MET A 27 24.193 37.646 -4.488 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.236 35.563 -5.953 1.00 25.00 H new ATOM 0 HB3 MET A 27 24.015 34.601 -4.505 1.00 25.00 H new ATOM 0 HG2 MET A 27 22.058 36.753 -5.354 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.946 35.098 -5.920 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.427 33.039 -3.814 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.133 33.137 -4.309 1.00 25.00 H new ATOM 0 HE3 MET A 27 21.706 33.146 -2.582 1.00 25.00 H new ATOM 387 N LEU A 28 24.563 35.449 -2.061 1.00 25.00 N ATOM 388 CA LEU A 28 24.226 35.127 -0.686 1.00 25.00 C ATOM 389 C LEU A 28 24.632 36.225 0.279 1.00 25.00 C ATOM 390 O LEU A 28 23.879 36.567 1.174 1.00 25.00 O ATOM 391 CB LEU A 28 24.910 33.848 -0.283 1.00 25.00 C ATOM 392 CG LEU A 28 24.181 32.576 -0.698 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.132 31.445 -0.568 1.00 25.00 C ATOM 394 CD2 LEU A 28 22.969 32.346 0.171 1.00 25.00 C ATOM 0 H LEU A 28 25.206 34.788 -2.498 1.00 25.00 H new ATOM 0 HA LEU A 28 23.143 35.018 -0.637 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.910 33.835 -0.717 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.032 33.843 0.800 1.00 25.00 H new ATOM 0 HG LEU A 28 23.833 32.664 -1.727 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.637 30.518 -0.859 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.992 31.616 -1.216 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.467 31.368 0.466 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.464 31.433 -0.143 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.280 32.249 1.211 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.286 33.190 0.074 1.00 25.00 H new ATOM 406 N LEU A 29 25.812 36.793 0.089 1.00 25.00 N ATOM 407 CA LEU A 29 26.279 37.871 0.968 1.00 25.00 C ATOM 408 C LEU A 29 25.379 39.091 0.844 1.00 25.00 C ATOM 409 O LEU A 29 25.121 39.789 1.822 1.00 25.00 O ATOM 410 CB LEU A 29 27.712 38.276 0.621 1.00 25.00 C ATOM 411 CG LEU A 29 28.817 37.315 1.082 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.116 37.703 0.407 1.00 25.00 C ATOM 413 CD2 LEU A 29 28.992 37.319 2.599 1.00 25.00 C ATOM 0 H LEU A 29 26.462 36.535 -0.654 1.00 25.00 H new ATOM 0 HA LEU A 29 26.248 37.496 1.991 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.784 38.388 -0.461 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.906 39.256 1.057 1.00 25.00 H new ATOM 0 HG LEU A 29 28.528 36.303 0.799 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.909 37.027 0.727 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.998 37.637 -0.675 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.378 38.725 0.682 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.785 36.624 2.876 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.257 38.322 2.932 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.060 37.014 3.074 1.00 25.00 H new ATOM 425 N ALA A 30 24.895 39.333 -0.361 1.00 25.00 N ATOM 426 CA ALA A 30 24.008 40.459 -0.623 1.00 25.00 C ATOM 427 C ALA A 30 22.566 40.166 -0.176 1.00 25.00 C ATOM 428 O ALA A 30 21.729 41.070 -0.140 1.00 25.00 O ATOM 429 CB ALA A 30 24.038 40.791 -2.122 1.00 25.00 C ATOM 0 H ALA A 30 25.101 38.762 -1.181 1.00 25.00 H new ATOM 0 HA ALA A 30 24.362 41.313 -0.045 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.375 41.633 -2.321 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.055 41.051 -2.417 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.705 39.924 -2.693 1.00 25.00 H new ATOM 435 N ASN A 31 22.264 38.906 0.116 1.00 25.00 N ATOM 436 CA ASN A 31 20.899 38.492 0.430 1.00 25.00 C ATOM 437 C ASN A 31 20.724 38.102 1.899 1.00 25.00 C ATOM 438 O ASN A 31 21.011 36.970 2.292 1.00 25.00 O ATOM 439 CB ASN A 31 20.531 37.314 -0.456 1.00 25.00 C ATOM 440 CG ASN A 31 19.065 37.056 -0.484 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.344 37.250 0.496 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.607 36.583 -1.597 1.00 25.00 N ATOM 0 H ASN A 31 22.948 38.150 0.142 1.00 25.00 H new ATOM 0 HA ASN A 31 20.242 39.342 0.246 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.883 37.503 -1.470 1.00 25.00 H new ATOM 0 HB3 ASN A 31 21.047 36.422 -0.101 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.616 36.357 -1.686 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.236 36.436 -2.386 1.00 25.00 H new ATOM 449 N PRO A 32 20.211 39.021 2.731 1.00 25.00 N ATOM 450 CA PRO A 32 20.137 38.704 4.162 1.00 25.00 C ATOM 451 C PRO A 32 19.191 37.560 4.538 1.00 25.00 C ATOM 452 O PRO A 32 19.406 36.886 5.537 1.00 25.00 O ATOM 453 CB PRO A 32 19.680 40.029 4.776 1.00 25.00 C ATOM 454 CG PRO A 32 18.930 40.698 3.674 1.00 25.00 C ATOM 455 CD PRO A 32 19.726 40.387 2.460 1.00 25.00 C ATOM 0 HA PRO A 32 21.095 38.333 4.525 1.00 25.00 H new ATOM 0 HB2 PRO A 32 19.047 39.867 5.649 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.528 40.630 5.104 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.913 40.315 3.593 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.854 41.773 3.837 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.119 40.429 1.556 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.549 41.089 2.324 1.00 25.00 H new ATOM 463 N HIS A 33 18.142 37.333 3.761 1.00 25.00 N ATOM 464 CA HIS A 33 17.210 36.248 4.063 1.00 25.00 C ATOM 465 C HIS A 33 17.804 34.898 3.682 1.00 25.00 C ATOM 466 O HIS A 33 17.677 33.917 4.409 1.00 25.00 O ATOM 467 CB HIS A 33 15.901 36.461 3.298 1.00 25.00 C ATOM 468 CG HIS A 33 14.868 35.411 3.572 1.00 25.00 C ATOM 469 ND1 HIS A 33 14.163 35.297 4.746 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.412 34.397 2.786 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.338 34.259 4.635 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.437 33.681 3.456 1.00 25.00 N ATOM 0 H HIS A 33 17.914 37.875 2.928 1.00 25.00 H new ATOM 0 HA HIS A 33 17.017 36.253 5.136 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.492 37.437 3.559 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.114 36.479 2.229 1.00 25.00 H new ATOM 0 HD2 HIS A 33 14.761 34.183 1.786 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.669 33.931 5.417 1.00 25.00 H new ATOM 0 HE2 HIS A 33 12.909 32.879 3.112 1.00 25.00 H new ATOM 480 N GLU A 34 18.444 34.851 2.526 1.00 25.00 N ATOM 481 CA GLU A 34 18.972 33.596 1.995 1.00 25.00 C ATOM 482 C GLU A 34 20.177 33.179 2.812 1.00 25.00 C ATOM 483 O GLU A 34 20.359 32.020 3.121 1.00 25.00 O ATOM 484 CB GLU A 34 19.363 33.771 0.533 1.00 25.00 C ATOM 485 CG GLU A 34 18.429 33.102 -0.470 1.00 25.00 C ATOM 486 CD GLU A 34 18.656 31.596 -0.577 1.00 25.00 C ATOM 487 OE1 GLU A 34 17.656 30.853 -0.615 1.00 25.00 O ATOM 488 OE2 GLU A 34 19.825 31.163 -0.654 1.00 25.00 O ATOM 0 H GLU A 34 18.613 35.664 1.934 1.00 25.00 H new ATOM 0 HA GLU A 34 18.207 32.823 2.058 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.407 34.837 0.310 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.368 33.374 0.391 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.396 33.289 -0.178 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.571 33.557 -1.450 1.00 25.00 H new ATOM 495 N LEU A 35 20.978 34.140 3.230 1.00 25.00 N ATOM 496 CA LEU A 35 22.130 33.834 4.060 1.00 25.00 C ATOM 497 C LEU A 35 21.684 33.299 5.426 1.00 25.00 C ATOM 498 O LEU A 35 22.383 32.507 6.055 1.00 25.00 O ATOM 499 CB LEU A 35 23.030 35.054 4.141 1.00 25.00 C ATOM 500 CG LEU A 35 22.866 36.195 5.144 1.00 25.00 C ATOM 501 CD1 LEU A 35 23.122 35.829 6.596 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.864 37.229 4.689 1.00 25.00 C ATOM 0 H LEU A 35 20.856 35.129 3.012 1.00 25.00 H new ATOM 0 HA LEU A 35 22.720 33.035 3.612 1.00 25.00 H new ATOM 0 HB2 LEU A 35 24.041 34.672 4.283 1.00 25.00 H new ATOM 0 HB3 LEU A 35 23.000 35.515 3.154 1.00 25.00 H new ATOM 0 HG LEU A 35 21.828 36.529 5.147 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.979 36.709 7.224 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.427 35.048 6.902 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.145 35.468 6.705 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.821 38.093 5.352 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.867 36.802 4.714 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.627 37.540 3.672 1.00 25.00 H new ATOM 514 N SER A 36 20.523 33.751 5.883 1.00 25.00 N ATOM 515 CA SER A 36 19.974 33.346 7.175 1.00 25.00 C ATOM 516 C SER A 36 19.366 31.950 7.136 1.00 25.00 C ATOM 517 O SER A 36 19.579 31.154 8.034 1.00 25.00 O ATOM 518 CB SER A 36 18.944 34.350 7.672 1.00 25.00 C ATOM 519 OG SER A 36 18.803 34.239 9.079 1.00 25.00 O ATOM 0 H SER A 36 19.935 34.408 5.371 1.00 25.00 H new ATOM 0 HA SER A 36 20.811 33.322 7.872 1.00 25.00 H new ATOM 0 HB2 SER A 36 19.252 35.362 7.407 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.985 34.171 7.186 1.00 25.00 H new ATOM 0 HG SER A 36 18.140 34.889 9.394 1.00 25.00 H new ATOM 525 N LEU A 37 18.646 31.621 6.077 1.00 25.00 N ATOM 526 CA LEU A 37 18.101 30.273 5.953 1.00 25.00 C ATOM 527 C LEU A 37 19.226 29.313 5.765 1.00 25.00 C ATOM 528 O LEU A 37 19.181 28.175 6.168 1.00 25.00 O ATOM 529 CB LEU A 37 17.110 30.204 4.818 1.00 25.00 C ATOM 530 CG LEU A 37 17.482 30.307 3.345 1.00 25.00 C ATOM 531 CD1 LEU A 37 17.859 28.976 2.751 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.285 30.905 2.621 1.00 25.00 C ATOM 0 H LEU A 37 18.427 32.250 5.305 1.00 25.00 H new ATOM 0 HA LEU A 37 17.562 30.005 6.862 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.585 29.256 4.932 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.383 30.995 5.003 1.00 25.00 H new ATOM 0 HG LEU A 37 18.364 30.938 3.236 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.115 29.106 1.700 1.00 25.00 H new ATOM 0 HD12 LEU A 37 18.717 28.569 3.286 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.018 28.288 2.837 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.511 30.996 1.559 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.419 30.257 2.754 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.067 31.891 3.031 1.00 25.00 H new ATOM 544 N LEU A 38 20.269 29.792 5.138 1.00 25.00 N ATOM 545 CA LEU A 38 21.422 28.977 4.912 1.00 25.00 C ATOM 546 C LEU A 38 22.138 28.591 6.198 1.00 25.00 C ATOM 547 O LEU A 38 22.497 27.440 6.367 1.00 25.00 O ATOM 548 CB LEU A 38 22.322 29.729 3.982 1.00 25.00 C ATOM 549 CG LEU A 38 23.528 28.927 3.484 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.085 27.740 2.655 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.466 29.799 2.688 1.00 25.00 C ATOM 0 H LEU A 38 20.339 30.743 4.777 1.00 25.00 H new ATOM 0 HA LEU A 38 21.115 28.029 4.470 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.741 30.060 3.122 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.681 30.625 4.488 1.00 25.00 H new ATOM 0 HG LEU A 38 24.062 28.556 4.359 1.00 25.00 H new ATOM 0 HD11 LEU A 38 23.960 27.188 2.314 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.457 27.087 3.261 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.518 28.090 1.792 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.314 29.205 2.346 1.00 25.00 H new ATOM 0 HD22 LEU A 38 23.939 30.208 1.826 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.824 30.615 3.315 1.00 25.00 H new ATOM 563 N LYS A 39 22.302 29.518 7.131 1.00 25.00 N ATOM 564 CA LYS A 39 22.881 29.155 8.444 1.00 25.00 C ATOM 565 C LYS A 39 21.941 28.266 9.249 1.00 25.00 C ATOM 566 O LYS A 39 22.400 27.427 10.011 1.00 25.00 O ATOM 567 CB LYS A 39 23.316 30.384 9.264 1.00 25.00 C ATOM 568 CG LYS A 39 22.300 31.508 9.327 1.00 25.00 C ATOM 569 CD LYS A 39 22.641 32.592 10.329 1.00 25.00 C ATOM 570 CE LYS A 39 23.734 33.507 9.805 1.00 25.00 C ATOM 571 NZ LYS A 39 23.926 34.668 10.730 1.00 25.00 N ATOM 0 H LYS A 39 22.055 30.502 7.023 1.00 25.00 H new ATOM 0 HA LYS A 39 23.783 28.583 8.228 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.542 30.062 10.281 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.241 30.775 8.841 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.209 31.957 8.338 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.325 31.089 9.578 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.749 33.178 10.551 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.964 32.136 11.265 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.667 32.952 9.708 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.472 33.866 8.810 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.676 35.286 10.360 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.038 35.205 10.801 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.197 34.320 11.672 1.00 25.00 H new ATOM 585 N GLU A 40 20.646 28.421 9.046 1.00 25.00 N ATOM 586 CA GLU A 40 19.649 27.595 9.726 1.00 25.00 C ATOM 587 C GLU A 40 19.648 26.159 9.163 1.00 25.00 C ATOM 588 O GLU A 40 19.789 25.177 9.897 1.00 25.00 O ATOM 589 CB GLU A 40 18.283 28.260 9.501 1.00 25.00 C ATOM 590 CG GLU A 40 17.062 27.485 9.993 1.00 25.00 C ATOM 591 CD GLU A 40 15.988 27.301 8.910 1.00 25.00 C ATOM 592 OE1 GLU A 40 15.195 26.349 9.039 1.00 25.00 O ATOM 593 OE2 GLU A 40 15.963 28.056 7.911 1.00 25.00 O ATOM 0 H GLU A 40 20.251 29.115 8.412 1.00 25.00 H new ATOM 0 HA GLU A 40 19.876 27.522 10.790 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.291 29.233 9.993 1.00 25.00 H new ATOM 0 HB3 GLU A 40 18.164 28.444 8.433 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.381 26.506 10.350 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.626 28.008 10.844 1.00 25.00 H new ATOM 600 N ARG A 41 19.513 26.040 7.850 1.00 25.00 N ATOM 601 CA ARG A 41 19.408 24.726 7.199 1.00 25.00 C ATOM 602 C ARG A 41 20.746 24.032 6.958 1.00 25.00 C ATOM 603 O ARG A 41 20.830 22.801 7.014 1.00 25.00 O ATOM 604 CB ARG A 41 18.693 24.887 5.849 1.00 25.00 C ATOM 605 CG ARG A 41 17.314 25.558 5.941 1.00 25.00 C ATOM 606 CD ARG A 41 16.247 24.657 6.548 1.00 25.00 C ATOM 607 NE ARG A 41 15.721 23.695 5.566 1.00 25.00 N ATOM 608 CZ ARG A 41 14.732 23.950 4.713 1.00 25.00 C ATOM 609 NH1 ARG A 41 14.117 25.107 4.678 1.00 25.00 N ATOM 610 NH2 ARG A 41 14.359 23.019 3.878 1.00 25.00 N ATOM 0 H ARG A 41 19.473 26.832 7.208 1.00 25.00 H new ATOM 0 HA ARG A 41 18.848 24.095 7.889 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.326 25.474 5.183 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.576 23.904 5.393 1.00 25.00 H new ATOM 0 HG2 ARG A 41 17.398 26.465 6.540 1.00 25.00 H new ATOM 0 HG3 ARG A 41 16.998 25.863 4.943 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.667 24.117 7.397 1.00 25.00 H new ATOM 0 HD3 ARG A 41 15.430 25.268 6.932 1.00 25.00 H new ATOM 0 HE ARG A 41 16.144 22.767 5.537 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.392 25.851 5.320 1.00 25.00 H new ATOM 0 HH12 ARG A 41 13.363 25.264 4.009 1.00 25.00 H new ATOM 0 HH21 ARG A 41 14.824 22.111 3.885 1.00 25.00 H new ATOM 0 HH22 ARG A 41 13.602 23.199 3.218 1.00 25.00 H new ATOM 624 N ASN A 42 21.775 24.801 6.637 1.00 25.00 N ATOM 625 CA ASN A 42 23.088 24.253 6.259 1.00 25.00 C ATOM 626 C ASN A 42 24.276 24.956 6.927 1.00 25.00 C ATOM 627 O ASN A 42 25.076 25.620 6.248 1.00 25.00 O ATOM 628 CB ASN A 42 23.266 24.364 4.739 1.00 25.00 C ATOM 629 CG ASN A 42 24.287 23.398 4.209 1.00 25.00 C ATOM 630 OD1 ASN A 42 24.902 22.658 4.952 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.452 23.379 2.920 1.00 25.00 N ATOM 0 H ASN A 42 21.734 25.820 6.628 1.00 25.00 H new ATOM 0 HA ASN A 42 23.089 23.218 6.601 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.309 24.182 4.250 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.565 25.381 4.484 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.116 22.728 2.500 1.00 25.00 H new ATOM 0 HD22 ASN A 42 23.918 24.015 2.328 1.00 25.00 H new ATOM 638 N PRO A 43 24.441 24.797 8.252 1.00 25.00 N ATOM 639 CA PRO A 43 25.569 25.507 8.873 1.00 25.00 C ATOM 640 C PRO A 43 26.992 25.303 8.289 1.00 25.00 C ATOM 641 O PRO A 43 27.742 26.274 8.236 1.00 25.00 O ATOM 642 CB PRO A 43 25.483 25.085 10.349 1.00 25.00 C ATOM 643 CG PRO A 43 24.635 23.855 10.366 1.00 25.00 C ATOM 644 CD PRO A 43 23.657 24.047 9.250 1.00 25.00 C ATOM 0 HA PRO A 43 25.456 26.574 8.679 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.473 24.884 10.758 1.00 25.00 H new ATOM 0 HB3 PRO A 43 25.041 25.874 10.957 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.236 22.958 10.215 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.125 23.739 11.323 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.304 23.095 8.854 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.778 24.603 9.574 1.00 25.00 H new ATOM 652 N PRO A 44 27.374 24.094 7.796 1.00 25.00 N ATOM 653 CA PRO A 44 28.745 24.106 7.253 1.00 25.00 C ATOM 654 C PRO A 44 28.945 24.926 5.961 1.00 25.00 C ATOM 655 O PRO A 44 30.014 25.494 5.747 1.00 25.00 O ATOM 656 CB PRO A 44 29.025 22.619 7.002 1.00 25.00 C ATOM 657 CG PRO A 44 27.707 22.044 6.723 1.00 25.00 C ATOM 658 CD PRO A 44 26.790 22.739 7.692 1.00 25.00 C ATOM 0 HA PRO A 44 29.425 24.597 7.949 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.706 22.479 6.162 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.488 22.149 7.870 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.405 22.222 5.691 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.703 20.965 6.875 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.764 22.770 7.325 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.768 22.235 8.658 1.00 25.00 H new ATOM 666 N LEU A 45 27.938 25.017 5.098 1.00 25.00 N ATOM 667 CA LEU A 45 28.074 25.863 3.906 1.00 25.00 C ATOM 668 C LEU A 45 27.939 27.311 4.330 1.00 25.00 C ATOM 669 O LEU A 45 28.584 28.205 3.784 1.00 25.00 O ATOM 670 CB LEU A 45 27.037 25.512 2.832 1.00 25.00 C ATOM 671 CG LEU A 45 27.078 26.335 1.521 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.449 26.339 0.834 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.051 25.768 0.545 1.00 25.00 C ATOM 0 H LEU A 45 27.044 24.535 5.191 1.00 25.00 H new ATOM 0 HA LEU A 45 29.053 25.691 3.459 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.158 24.460 2.575 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.045 25.622 3.270 1.00 25.00 H new ATOM 0 HG LEU A 45 26.855 27.366 1.797 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.398 26.936 -0.077 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.192 26.767 1.507 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.733 25.317 0.583 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.074 26.342 -0.381 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.289 24.726 0.332 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.056 25.830 0.986 1.00 25.00 H new ATOM 685 N ALA A 46 27.113 27.540 5.331 1.00 25.00 N ATOM 686 CA ALA A 46 26.921 28.884 5.830 1.00 25.00 C ATOM 687 C ALA A 46 28.181 29.467 6.460 1.00 25.00 C ATOM 688 O ALA A 46 28.524 30.586 6.153 1.00 25.00 O ATOM 689 CB ALA A 46 25.819 28.908 6.809 1.00 25.00 C ATOM 0 H ALA A 46 26.570 26.821 5.809 1.00 25.00 H new ATOM 0 HA ALA A 46 26.673 29.507 4.971 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.683 29.924 7.179 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.900 28.569 6.331 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.059 28.248 7.643 1.00 25.00 H new ATOM 695 N GLU A 47 28.860 28.737 7.338 1.00 25.00 N ATOM 696 CA GLU A 47 30.034 29.289 8.035 1.00 25.00 C ATOM 697 C GLU A 47 31.103 29.705 7.031 1.00 25.00 C ATOM 698 O GLU A 47 31.826 30.687 7.234 1.00 25.00 O ATOM 699 CB GLU A 47 30.613 28.307 9.067 1.00 25.00 C ATOM 700 CG GLU A 47 31.217 27.034 8.478 1.00 25.00 C ATOM 701 CD GLU A 47 31.909 26.170 9.519 1.00 25.00 C ATOM 702 OE1 GLU A 47 32.448 25.111 9.133 1.00 25.00 O ATOM 703 OE2 GLU A 47 31.996 26.587 10.692 1.00 25.00 O ATOM 0 H GLU A 47 28.629 27.775 7.587 1.00 25.00 H new ATOM 0 HA GLU A 47 29.700 30.170 8.583 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.380 28.822 9.645 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.823 28.028 9.764 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.430 26.454 7.997 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.934 27.303 7.702 1.00 25.00 H new ATOM 710 N ALA A 48 31.159 28.992 5.917 1.00 25.00 N ATOM 711 CA ALA A 48 32.046 29.327 4.845 1.00 25.00 C ATOM 712 C ALA A 48 31.733 30.700 4.270 1.00 25.00 C ATOM 713 O ALA A 48 32.628 31.516 4.054 1.00 25.00 O ATOM 714 CB ALA A 48 31.933 28.271 3.788 1.00 25.00 C ATOM 0 H ALA A 48 30.585 28.167 5.743 1.00 25.00 H new ATOM 0 HA ALA A 48 33.067 29.368 5.224 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.603 28.510 2.962 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.207 27.304 4.209 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.907 28.230 3.423 1.00 25.00 H new ATOM 720 N LEU A 49 30.455 30.955 4.062 1.00 25.00 N ATOM 721 CA LEU A 49 30.001 32.228 3.543 1.00 25.00 C ATOM 722 C LEU A 49 30.275 33.342 4.547 1.00 25.00 C ATOM 723 O LEU A 49 30.692 34.431 4.174 1.00 25.00 O ATOM 724 CB LEU A 49 28.492 32.159 3.293 1.00 25.00 C ATOM 725 CG LEU A 49 27.866 33.426 2.717 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.102 33.473 1.226 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.389 33.446 3.049 1.00 25.00 C ATOM 0 H LEU A 49 29.706 30.288 4.248 1.00 25.00 H new ATOM 0 HA LEU A 49 30.535 32.438 2.616 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.291 31.332 2.611 1.00 25.00 H new ATOM 0 HB3 LEU A 49 27.995 31.924 4.234 1.00 25.00 H new ATOM 0 HG LEU A 49 28.327 34.311 3.157 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.655 34.378 0.815 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.174 33.475 1.027 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.648 32.599 0.758 1.00 25.00 H new ATOM 0 HD21 LEU A 49 25.936 34.349 2.640 1.00 25.00 H new ATOM 0 HD22 LEU A 49 25.907 32.570 2.615 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.259 33.433 4.131 1.00 25.00 H new ATOM 739 N LEU A 50 30.033 33.062 5.825 1.00 25.00 N ATOM 740 CA LEU A 50 30.168 34.076 6.880 1.00 25.00 C ATOM 741 C LEU A 50 31.605 34.553 6.988 1.00 25.00 C ATOM 742 O LEU A 50 31.872 35.681 7.379 1.00 25.00 O ATOM 743 CB LEU A 50 29.745 33.528 8.255 1.00 25.00 C ATOM 744 CG LEU A 50 28.390 32.818 8.417 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.066 32.651 9.884 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.242 33.494 7.675 1.00 25.00 C ATOM 0 H LEU A 50 29.742 32.144 6.160 1.00 25.00 H new ATOM 0 HA LEU A 50 29.513 34.902 6.602 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.517 32.830 8.577 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.759 34.363 8.955 1.00 25.00 H new ATOM 0 HG LEU A 50 28.496 31.839 7.950 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.105 32.147 9.989 1.00 25.00 H new ATOM 0 HD12 LEU A 50 28.843 32.054 10.363 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.016 33.631 10.359 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.322 32.933 7.839 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.118 34.511 8.046 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.464 33.522 6.608 1.00 25.00 H new ATOM 758 N SER A 51 32.530 33.670 6.648 1.00 25.00 N ATOM 759 CA SER A 51 33.943 33.977 6.696 1.00 25.00 C ATOM 760 C SER A 51 34.378 34.851 5.518 1.00 25.00 C ATOM 761 O SER A 51 35.413 35.500 5.573 1.00 25.00 O ATOM 762 CB SER A 51 34.709 32.682 6.641 1.00 25.00 C ATOM 763 OG SER A 51 34.337 31.814 7.703 1.00 25.00 O ATOM 0 H SER A 51 32.319 32.723 6.332 1.00 25.00 H new ATOM 0 HA SER A 51 34.144 34.526 7.616 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.526 32.190 5.686 1.00 25.00 H new ATOM 0 HB3 SER A 51 35.778 32.887 6.694 1.00 25.00 H new ATOM 0 HG SER A 51 33.461 31.419 7.511 1.00 25.00 H new ATOM 769 N GLY A 52 33.614 34.808 4.431 1.00 25.00 N ATOM 770 CA GLY A 52 33.929 35.582 3.238 1.00 25.00 C ATOM 771 C GLY A 52 34.871 34.854 2.297 1.00 25.00 C ATOM 772 O GLY A 52 34.930 35.152 1.099 1.00 25.00 O ATOM 0 H GLY A 52 32.769 34.242 4.353 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.006 35.818 2.709 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.379 36.530 3.534 1.00 25.00 H new ATOM 776 N ASP A 53 35.598 33.888 2.842 1.00 25.00 N ATOM 777 CA ASP A 53 36.561 33.096 2.080 1.00 25.00 C ATOM 778 C ASP A 53 35.892 32.321 0.953 1.00 25.00 C ATOM 779 O ASP A 53 35.078 31.422 1.190 1.00 25.00 O ATOM 780 CB ASP A 53 37.248 32.073 2.976 1.00 25.00 C ATOM 781 CG ASP A 53 38.344 31.339 2.262 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.693 30.235 2.711 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.795 31.813 1.199 1.00 25.00 O ATOM 0 H ASP A 53 35.538 33.629 3.827 1.00 25.00 H new ATOM 0 HA ASP A 53 37.280 33.805 1.670 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.660 32.577 3.850 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.510 31.357 3.339 1.00 25.00 H new ATOM 788 N LEU A 54 36.274 32.624 -0.278 1.00 25.00 N ATOM 789 CA LEU A 54 35.751 31.891 -1.415 1.00 25.00 C ATOM 790 C LEU A 54 36.262 30.465 -1.378 1.00 25.00 C ATOM 791 O LEU A 54 35.542 29.554 -1.723 1.00 25.00 O ATOM 792 CB LEU A 54 36.180 32.545 -2.734 1.00 25.00 C ATOM 793 CG LEU A 54 35.603 31.969 -4.049 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.459 30.840 -4.632 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.136 31.517 -3.933 1.00 25.00 C ATOM 0 H LEU A 54 36.936 33.364 -0.512 1.00 25.00 H new ATOM 0 HA LEU A 54 34.663 31.901 -1.357 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.913 33.601 -2.686 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.267 32.493 -2.795 1.00 25.00 H new ATOM 0 HG LEU A 54 35.630 32.808 -4.744 1.00 25.00 H new ATOM 0 HD11 LEU A 54 36.004 30.477 -5.553 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.460 31.215 -4.845 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.523 30.024 -3.913 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.799 31.125 -4.893 1.00 25.00 H new ATOM 0 HD22 LEU A 54 34.054 30.739 -3.174 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.515 32.367 -3.650 1.00 25.00 H new ATOM 807 N GLU A 55 37.502 30.268 -0.971 1.00 25.00 N ATOM 808 CA GLU A 55 38.093 28.935 -1.007 1.00 25.00 C ATOM 809 C GLU A 55 37.303 27.982 -0.139 1.00 25.00 C ATOM 810 O GLU A 55 36.886 26.919 -0.592 1.00 25.00 O ATOM 811 CB GLU A 55 39.536 28.963 -0.522 1.00 25.00 C ATOM 812 CG GLU A 55 40.438 29.847 -1.334 1.00 25.00 C ATOM 813 CD GLU A 55 40.808 29.220 -2.675 1.00 25.00 C ATOM 814 OE1 GLU A 55 41.934 28.700 -2.802 1.00 25.00 O ATOM 815 OE2 GLU A 55 39.952 29.225 -3.594 1.00 25.00 O ATOM 0 H GLU A 55 38.116 31.001 -0.615 1.00 25.00 H new ATOM 0 HA GLU A 55 38.070 28.594 -2.042 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.553 29.299 0.515 1.00 25.00 H new ATOM 0 HB3 GLU A 55 39.932 27.948 -0.535 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.946 30.804 -1.506 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.347 30.053 -0.768 1.00 25.00 H new ATOM 822 N LYS A 56 37.055 28.370 1.103 1.00 25.00 N ATOM 823 CA LYS A 56 36.287 27.516 1.998 1.00 25.00 C ATOM 824 C LYS A 56 34.868 27.377 1.480 1.00 25.00 C ATOM 825 O LYS A 56 34.340 26.280 1.521 1.00 25.00 O ATOM 826 CB LYS A 56 36.367 27.974 3.473 1.00 25.00 C ATOM 827 CG LYS A 56 35.440 28.990 3.926 1.00 25.00 C ATOM 828 CD LYS A 56 35.929 29.576 5.261 1.00 25.00 C ATOM 829 CE LYS A 56 35.430 28.786 6.481 1.00 25.00 C ATOM 830 NZ LYS A 56 35.931 29.368 7.770 1.00 25.00 N ATOM 0 H LYS A 56 37.367 29.252 1.509 1.00 25.00 H new ATOM 0 HA LYS A 56 36.735 26.522 2.001 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.231 27.095 4.102 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.377 28.341 3.653 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.357 29.780 3.179 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.446 28.561 4.048 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.019 29.593 5.267 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.594 30.610 5.342 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.340 28.777 6.486 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.757 27.749 6.400 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.716 28.716 8.552 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.959 29.510 7.710 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.465 30.281 7.943 1.00 25.00 H new ATOM 844 N PHE A 57 34.283 28.436 0.924 1.00 25.00 N ATOM 845 CA PHE A 57 32.937 28.353 0.346 1.00 25.00 C ATOM 846 C PHE A 57 32.868 27.374 -0.823 1.00 25.00 C ATOM 847 O PHE A 57 32.046 26.480 -0.818 1.00 25.00 O ATOM 848 CB PHE A 57 32.448 29.743 -0.078 1.00 25.00 C ATOM 849 CG PHE A 57 31.019 29.759 -0.546 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.714 29.661 -1.916 1.00 25.00 C ATOM 851 CD2 PHE A 57 29.967 29.865 0.382 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.370 29.664 -2.359 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.618 29.870 -0.052 1.00 25.00 C ATOM 854 CZ PHE A 57 28.324 29.767 -1.427 1.00 25.00 C ATOM 0 H PHE A 57 34.714 29.358 0.860 1.00 25.00 H new ATOM 0 HA PHE A 57 32.275 27.968 1.122 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.554 30.429 0.762 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.088 30.116 -0.877 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.514 29.583 -2.637 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.190 29.943 1.436 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.149 29.587 -3.413 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.818 29.952 0.668 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.298 29.767 -1.763 1.00 25.00 H new ATOM 864 N SER A 58 33.760 27.507 -1.792 1.00 25.00 N ATOM 865 CA SER A 58 33.830 26.597 -2.933 1.00 25.00 C ATOM 866 C SER A 58 34.109 25.164 -2.490 1.00 25.00 C ATOM 867 O SER A 58 33.535 24.207 -3.018 1.00 25.00 O ATOM 868 CB SER A 58 34.956 27.055 -3.865 1.00 25.00 C ATOM 869 OG SER A 58 35.027 26.246 -5.023 1.00 25.00 O ATOM 0 H SER A 58 34.459 28.250 -1.813 1.00 25.00 H new ATOM 0 HA SER A 58 32.868 26.616 -3.445 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.792 28.093 -4.154 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.907 27.018 -3.334 1.00 25.00 H new ATOM 0 HG SER A 58 35.753 26.563 -5.599 1.00 25.00 H new ATOM 875 N ARG A 59 34.978 25.015 -1.502 1.00 25.00 N ATOM 876 CA ARG A 59 35.369 23.692 -1.017 1.00 25.00 C ATOM 877 C ARG A 59 34.174 23.008 -0.404 1.00 25.00 C ATOM 878 O ARG A 59 33.879 21.868 -0.719 1.00 25.00 O ATOM 879 CB ARG A 59 36.506 23.810 0.014 1.00 25.00 C ATOM 880 CG ARG A 59 36.945 22.475 0.636 1.00 25.00 C ATOM 881 CD ARG A 59 36.335 22.278 2.032 1.00 25.00 C ATOM 882 NE ARG A 59 36.622 20.943 2.580 1.00 25.00 N ATOM 883 CZ ARG A 59 37.575 20.644 3.453 1.00 25.00 C ATOM 884 NH1 ARG A 59 38.405 21.540 3.934 1.00 25.00 N ATOM 885 NH2 ARG A 59 37.685 19.410 3.844 1.00 25.00 N ATOM 0 H ARG A 59 35.428 25.792 -1.018 1.00 25.00 H new ATOM 0 HA ARG A 59 35.731 23.098 -1.856 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.368 24.273 -0.466 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.187 24.481 0.812 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.644 21.653 -0.013 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.032 22.444 0.705 1.00 25.00 H new ATOM 0 HD2 ARG A 59 36.726 23.038 2.708 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.256 22.423 1.979 1.00 25.00 H new ATOM 0 HE ARG A 59 36.033 20.175 2.258 1.00 25.00 H new ATOM 0 HH11 ARG A 59 38.332 22.513 3.638 1.00 25.00 H new ATOM 0 HH12 ARG A 59 39.123 21.263 4.604 1.00 25.00 H new ATOM 0 HH21 ARG A 59 37.048 18.701 3.480 1.00 25.00 H new ATOM 0 HH22 ARG A 59 38.408 19.150 4.515 1.00 25.00 H new ATOM 899 N VAL A 60 33.475 23.692 0.480 1.00 25.00 N ATOM 900 CA VAL A 60 32.344 23.075 1.146 1.00 25.00 C ATOM 901 C VAL A 60 31.203 22.904 0.139 1.00 25.00 C ATOM 902 O VAL A 60 30.436 21.963 0.239 1.00 25.00 O ATOM 903 CB VAL A 60 31.938 23.832 2.443 1.00 25.00 C ATOM 904 CG1 VAL A 60 31.389 25.163 2.149 1.00 25.00 C ATOM 905 CG2 VAL A 60 30.952 23.001 3.268 1.00 25.00 C ATOM 0 H VAL A 60 33.664 24.657 0.751 1.00 25.00 H new ATOM 0 HA VAL A 60 32.625 22.082 1.497 1.00 25.00 H new ATOM 0 HB VAL A 60 32.842 23.980 3.034 1.00 25.00 H new ATOM 0 HG11 VAL A 60 31.118 25.659 3.081 1.00 25.00 H new ATOM 0 HG12 VAL A 60 32.138 25.758 1.626 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.504 25.061 1.521 1.00 25.00 H new ATOM 0 HG21 VAL A 60 30.681 23.549 4.171 1.00 25.00 H new ATOM 0 HG22 VAL A 60 30.056 22.808 2.678 1.00 25.00 H new ATOM 0 HG23 VAL A 60 31.416 22.054 3.544 1.00 25.00 H new ATOM 915 N LEU A 61 31.115 23.777 -0.858 1.00 25.00 N ATOM 916 CA LEU A 61 30.084 23.659 -1.889 1.00 25.00 C ATOM 917 C LEU A 61 30.201 22.326 -2.627 1.00 25.00 C ATOM 918 O LEU A 61 29.203 21.636 -2.830 1.00 25.00 O ATOM 919 CB LEU A 61 30.199 24.812 -2.896 1.00 25.00 C ATOM 920 CG LEU A 61 28.957 25.060 -3.761 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.137 26.165 -3.128 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.314 25.481 -5.172 1.00 25.00 C ATOM 0 H LEU A 61 31.742 24.573 -0.977 1.00 25.00 H new ATOM 0 HA LEU A 61 29.113 23.705 -1.397 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.428 25.727 -2.350 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.045 24.613 -3.554 1.00 25.00 H new ATOM 0 HG LEU A 61 28.400 24.125 -3.817 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.250 26.352 -3.733 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.835 25.865 -2.125 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.735 27.074 -3.070 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.401 25.645 -5.745 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.893 26.404 -5.141 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.905 24.698 -5.647 1.00 25.00 H new ATOM 934 N VAL A 62 31.413 21.942 -3.011 1.00 25.00 N ATOM 935 CA VAL A 62 31.604 20.670 -3.713 1.00 25.00 C ATOM 936 C VAL A 62 31.516 19.497 -2.733 1.00 25.00 C ATOM 937 O VAL A 62 30.969 18.452 -3.063 1.00 25.00 O ATOM 938 CB VAL A 62 32.929 20.650 -4.552 1.00 25.00 C ATOM 939 CG1 VAL A 62 34.190 20.716 -3.683 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.976 19.411 -5.439 1.00 25.00 C ATOM 0 H VAL A 62 32.266 22.479 -2.854 1.00 25.00 H new ATOM 0 HA VAL A 62 30.794 20.560 -4.434 1.00 25.00 H new ATOM 0 HB VAL A 62 32.919 21.548 -5.169 1.00 25.00 H new ATOM 0 HG11 VAL A 62 35.073 20.699 -4.322 1.00 25.00 H new ATOM 0 HG12 VAL A 62 34.182 21.637 -3.100 1.00 25.00 H new ATOM 0 HG13 VAL A 62 34.213 19.860 -3.009 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.901 19.411 -6.015 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.936 18.517 -4.817 1.00 25.00 H new ATOM 0 HG23 VAL A 62 32.125 19.418 -6.120 1.00 25.00 H new ATOM 950 N GLU A 63 31.979 19.682 -1.507 1.00 25.00 N ATOM 951 CA GLU A 63 31.870 18.635 -0.479 1.00 25.00 C ATOM 952 C GLU A 63 30.402 18.317 -0.193 1.00 25.00 C ATOM 953 O GLU A 63 30.032 17.164 -0.054 1.00 25.00 O ATOM 954 CB GLU A 63 32.554 19.067 0.819 1.00 25.00 C ATOM 955 CG GLU A 63 34.069 19.148 0.715 1.00 25.00 C ATOM 956 CD GLU A 63 34.769 17.979 1.371 1.00 25.00 C ATOM 957 OE1 GLU A 63 35.575 18.231 2.302 1.00 25.00 O ATOM 958 OE2 GLU A 63 34.557 16.826 0.951 1.00 25.00 O ATOM 0 H GLU A 63 32.433 20.539 -1.191 1.00 25.00 H new ATOM 0 HA GLU A 63 32.368 17.744 -0.861 1.00 25.00 H new ATOM 0 HB2 GLU A 63 32.167 20.041 1.116 1.00 25.00 H new ATOM 0 HB3 GLU A 63 32.290 18.364 1.609 1.00 25.00 H new ATOM 0 HG2 GLU A 63 34.354 19.192 -0.336 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.410 20.075 1.177 1.00 25.00 H new