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= 1.69 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -167:sc= 0.674 (180deg=-0.0152) USER MOD Single : A 27 MET CE :methyl -112:sc=-0.00384 (180deg=-0.12) USER MOD Single : A 31 ASN : amide:sc= -1.26 K(o=-1.3,f=-7.4!) 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= -0.0632 K(o=-0.063,f=-3.8!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0303 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.390 28.836 -7.405 1.00 25.00 N ATOM 273 CA PRO A 21 30.442 29.254 -6.001 1.00 25.00 C ATOM 274 C PRO A 21 30.719 30.741 -5.873 1.00 25.00 C ATOM 275 O PRO A 21 30.267 31.375 -4.942 1.00 25.00 O ATOM 276 CB PRO A 21 31.620 28.450 -5.439 1.00 25.00 C ATOM 277 CG PRO A 21 32.426 28.105 -6.611 1.00 25.00 C ATOM 278 CD PRO A 21 31.484 27.908 -7.730 1.00 25.00 C ATOM 0 HA PRO A 21 29.501 29.079 -5.480 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.194 29.037 -4.722 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.277 27.557 -4.917 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.137 28.899 -6.839 1.00 25.00 H new ATOM 0 HG3 PRO A 21 33.006 27.200 -6.429 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.942 28.144 -8.690 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.135 26.877 -7.788 1.00 25.00 H new ATOM 286 N ALA A 22 31.450 31.303 -6.826 1.00 25.00 N ATOM 287 CA ALA A 22 31.783 32.719 -6.793 1.00 25.00 C ATOM 288 C ALA A 22 30.539 33.599 -6.885 1.00 25.00 C ATOM 289 O ALA A 22 30.421 34.585 -6.164 1.00 25.00 O ATOM 290 CB ALA A 22 32.757 33.043 -7.926 1.00 25.00 C ATOM 0 H ALA A 22 31.823 30.800 -7.631 1.00 25.00 H new ATOM 0 HA ALA A 22 32.256 32.934 -5.835 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.005 34.104 -7.900 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.666 32.454 -7.804 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.295 32.802 -8.883 1.00 25.00 H new ATOM 296 N LEU A 23 29.619 33.240 -7.767 1.00 25.00 N ATOM 297 CA LEU A 23 28.412 34.039 -7.957 1.00 25.00 C ATOM 298 C LEU A 23 27.423 33.766 -6.833 1.00 25.00 C ATOM 299 O LEU A 23 26.712 34.661 -6.395 1.00 25.00 O ATOM 300 CB LEU A 23 27.753 33.740 -9.313 1.00 25.00 C ATOM 301 CG LEU A 23 28.618 33.906 -10.582 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.747 33.663 -11.810 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.283 35.259 -10.708 1.00 25.00 C ATOM 0 H LEU A 23 29.680 32.411 -8.358 1.00 25.00 H new ATOM 0 HA LEU A 23 28.699 35.090 -7.942 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.386 32.714 -9.289 1.00 25.00 H new ATOM 0 HB3 LEU A 23 26.882 34.388 -9.413 1.00 25.00 H new ATOM 0 HG LEU A 23 29.423 33.175 -10.504 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.349 33.778 -12.711 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.339 32.653 -11.773 1.00 25.00 H new ATOM 0 HD13 LEU A 23 26.930 34.384 -11.825 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.871 35.292 -11.626 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.521 36.038 -10.737 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.937 35.424 -9.852 1.00 25.00 H new ATOM 315 N LEU A 24 27.385 32.533 -6.347 1.00 25.00 N ATOM 316 CA LEU A 24 26.480 32.194 -5.256 1.00 25.00 C ATOM 317 C LEU A 24 26.920 32.882 -3.970 1.00 25.00 C ATOM 318 O LEU A 24 26.101 33.440 -3.256 1.00 25.00 O ATOM 319 CB LEU A 24 26.419 30.677 -5.056 1.00 25.00 C ATOM 320 CG LEU A 24 25.436 30.196 -3.974 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.039 30.790 -4.147 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.353 28.686 -3.987 1.00 25.00 C ATOM 0 H LEU A 24 27.960 31.761 -6.684 1.00 25.00 H new ATOM 0 HA LEU A 24 25.482 32.546 -5.516 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.146 30.213 -6.004 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.417 30.320 -4.802 1.00 25.00 H new ATOM 0 HG LEU A 24 25.820 30.542 -3.014 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.385 30.418 -3.358 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.096 31.877 -4.089 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.638 30.499 -5.118 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.655 28.353 -3.218 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.005 28.349 -4.963 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.339 28.266 -3.789 1.00 25.00 H new ATOM 334 N ARG A 25 28.221 32.896 -3.717 1.00 25.00 N ATOM 335 CA ARG A 25 28.791 33.608 -2.573 1.00 25.00 C ATOM 336 C ARG A 25 28.376 35.072 -2.633 1.00 25.00 C ATOM 337 O ARG A 25 27.973 35.643 -1.634 1.00 25.00 O ATOM 338 CB ARG A 25 30.323 33.459 -2.611 1.00 25.00 C ATOM 339 CG ARG A 25 31.111 34.212 -1.536 1.00 25.00 C ATOM 340 CD ARG A 25 31.582 35.591 -2.013 1.00 25.00 C ATOM 341 NE ARG A 25 32.445 35.532 -3.206 1.00 25.00 N ATOM 342 CZ ARG A 25 32.501 36.465 -4.152 1.00 25.00 C ATOM 343 NH1 ARG A 25 31.785 37.558 -4.100 1.00 25.00 N ATOM 344 NH2 ARG A 25 33.297 36.295 -5.172 1.00 25.00 N ATOM 0 H ARG A 25 28.912 32.417 -4.294 1.00 25.00 H new ATOM 0 HA ARG A 25 28.422 33.190 -1.636 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.564 32.399 -2.531 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.674 33.793 -3.587 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.488 34.331 -0.649 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.976 33.618 -1.241 1.00 25.00 H new ATOM 0 HD2 ARG A 25 30.711 36.208 -2.233 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.124 36.082 -1.205 1.00 25.00 H new ATOM 0 HE ARG A 25 33.045 34.714 -3.314 1.00 25.00 H new ATOM 0 HH11 ARG A 25 31.155 37.718 -3.314 1.00 25.00 H new ATOM 0 HH12 ARG A 25 31.856 38.250 -4.846 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.869 35.453 -5.238 1.00 25.00 H new ATOM 0 HH22 ARG A 25 33.348 37.004 -5.903 1.00 25.00 H new ATOM 358 N ASP A 26 28.462 35.664 -3.812 1.00 25.00 N ATOM 359 CA ASP A 26 28.102 37.072 -3.993 1.00 25.00 C ATOM 360 C ASP A 26 26.618 37.320 -3.708 1.00 25.00 C ATOM 361 O ASP A 26 26.260 38.239 -2.975 1.00 25.00 O ATOM 362 CB ASP A 26 28.433 37.505 -5.424 1.00 25.00 C ATOM 363 CG ASP A 26 28.784 38.974 -5.520 1.00 25.00 C ATOM 364 OD1 ASP A 26 29.666 39.419 -4.751 1.00 25.00 O ATOM 365 OD2 ASP A 26 28.263 39.656 -6.420 1.00 25.00 O ATOM 0 H ASP A 26 28.777 35.197 -4.662 1.00 25.00 H new ATOM 0 HA ASP A 26 28.680 37.661 -3.281 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.268 36.911 -5.796 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.580 37.296 -6.070 1.00 25.00 H new ATOM 370 N MET A 27 25.764 36.459 -4.248 1.00 25.00 N ATOM 371 CA MET A 27 24.313 36.568 -4.047 1.00 25.00 C ATOM 372 C MET A 27 23.968 36.463 -2.579 1.00 25.00 C ATOM 373 O MET A 27 23.220 37.268 -2.044 1.00 25.00 O ATOM 374 CB MET A 27 23.605 35.437 -4.803 1.00 25.00 C ATOM 375 CG MET A 27 22.080 35.555 -4.859 1.00 25.00 C ATOM 376 SD MET A 27 21.177 35.107 -3.333 1.00 25.00 S ATOM 377 CE MET A 27 21.347 33.308 -3.281 1.00 25.00 C ATOM 0 H MET A 27 26.047 35.672 -4.832 1.00 25.00 H new ATOM 0 HA MET A 27 23.985 37.537 -4.423 1.00 25.00 H new ATOM 0 HB2 MET A 27 23.990 35.404 -5.822 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.864 34.488 -4.334 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.826 36.583 -5.118 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.717 34.923 -5.669 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.374 32.846 -3.446 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.039 32.985 -4.059 1.00 25.00 H new ATOM 0 HE3 MET A 27 21.731 33.007 -2.306 1.00 25.00 H new ATOM 387 N LEU A 28 24.508 35.443 -1.940 1.00 25.00 N ATOM 388 CA LEU A 28 24.220 35.167 -0.542 1.00 25.00 C ATOM 389 C LEU A 28 24.634 36.312 0.359 1.00 25.00 C ATOM 390 O LEU A 28 23.893 36.697 1.248 1.00 25.00 O ATOM 391 CB LEU A 28 24.943 33.916 -0.111 1.00 25.00 C ATOM 392 CG LEU A 28 24.317 32.617 -0.614 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.317 31.541 -0.420 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.035 32.298 0.127 1.00 25.00 C ATOM 0 H LEU A 28 25.156 34.784 -2.371 1.00 25.00 H new ATOM 0 HA LEU A 28 23.142 35.035 -0.450 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.973 33.968 -0.463 1.00 25.00 H new ATOM 0 HB3 LEU A 28 24.979 33.889 0.978 1.00 25.00 H new ATOM 0 HG LEU A 28 24.053 32.713 -1.667 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.905 30.594 -0.769 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.218 31.775 -0.987 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.565 31.461 0.638 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.616 31.368 -0.256 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.247 32.190 1.191 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.319 33.106 -0.020 1.00 25.00 H new ATOM 406 N LEU A 29 25.807 36.874 0.122 1.00 25.00 N ATOM 407 CA LEU A 29 26.283 37.994 0.939 1.00 25.00 C ATOM 408 C LEU A 29 25.375 39.204 0.774 1.00 25.00 C ATOM 409 O LEU A 29 25.127 39.943 1.725 1.00 25.00 O ATOM 410 CB LEU A 29 27.711 38.382 0.548 1.00 25.00 C ATOM 411 CG LEU A 29 28.815 37.411 0.993 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.104 37.774 0.282 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.028 37.430 2.506 1.00 25.00 C ATOM 0 H LEU A 29 26.446 36.583 -0.618 1.00 25.00 H new ATOM 0 HA LEU A 29 26.270 37.672 1.980 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.756 38.481 -0.537 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.928 39.365 0.967 1.00 25.00 H new ATOM 0 HG LEU A 29 28.505 36.400 0.728 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.895 37.090 0.591 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.959 37.698 -0.796 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.386 38.795 0.539 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.818 36.727 2.771 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.314 38.434 2.821 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.104 37.143 3.007 1.00 25.00 H new ATOM 425 N ALA A 30 24.864 39.388 -0.432 1.00 25.00 N ATOM 426 CA ALA A 30 23.966 40.494 -0.729 1.00 25.00 C ATOM 427 C ALA A 30 22.529 40.224 -0.251 1.00 25.00 C ATOM 428 O ALA A 30 21.692 41.129 -0.262 1.00 25.00 O ATOM 429 CB ALA A 30 23.973 40.761 -2.243 1.00 25.00 C ATOM 0 H ALA A 30 25.057 38.780 -1.228 1.00 25.00 H new ATOM 0 HA ALA A 30 24.325 41.370 -0.189 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.301 41.589 -2.470 1.00 25.00 H new ATOM 0 HB2 ALA A 30 24.983 41.015 -2.563 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.639 39.868 -2.771 1.00 25.00 H new ATOM 435 N ASN A 31 22.225 38.988 0.129 1.00 25.00 N ATOM 436 CA ASN A 31 20.856 38.615 0.484 1.00 25.00 C ATOM 437 C ASN A 31 20.721 38.203 1.955 1.00 25.00 C ATOM 438 O ASN A 31 21.008 37.060 2.321 1.00 25.00 O ATOM 439 CB ASN A 31 20.394 37.473 -0.413 1.00 25.00 C ATOM 440 CG ASN A 31 18.904 37.288 -0.381 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.266 37.396 0.666 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.336 37.009 -1.518 1.00 25.00 N ATOM 0 H ASN A 31 22.903 38.229 0.200 1.00 25.00 H new ATOM 0 HA ASN A 31 20.228 39.494 0.337 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.711 37.668 -1.437 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.879 36.549 -0.099 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.326 36.871 -1.563 1.00 25.00 H new ATOM 0 HD22 ASN A 31 18.900 36.928 -2.364 1.00 25.00 H new ATOM 449 N PRO A 32 20.233 39.115 2.813 1.00 25.00 N ATOM 450 CA PRO A 32 20.156 38.758 4.235 1.00 25.00 C ATOM 451 C PRO A 32 19.186 37.621 4.577 1.00 25.00 C ATOM 452 O PRO A 32 19.370 36.932 5.575 1.00 25.00 O ATOM 453 CB PRO A 32 19.731 40.074 4.892 1.00 25.00 C ATOM 454 CG PRO A 32 18.990 40.793 3.820 1.00 25.00 C ATOM 455 CD PRO A 32 19.768 40.495 2.583 1.00 25.00 C ATOM 0 HA PRO A 32 21.107 38.358 4.586 1.00 25.00 H new ATOM 0 HB2 PRO A 32 19.100 39.899 5.764 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.594 40.646 5.233 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.962 40.440 3.740 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.945 41.864 4.015 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.149 40.569 1.689 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.601 41.186 2.453 1.00 25.00 H new ATOM 463 N HIS A 33 18.162 37.406 3.760 1.00 25.00 N ATOM 464 CA HIS A 33 17.219 36.317 4.011 1.00 25.00 C ATOM 465 C HIS A 33 17.822 34.970 3.617 1.00 25.00 C ATOM 466 O HIS A 33 17.665 33.969 4.313 1.00 25.00 O ATOM 467 CB HIS A 33 15.932 36.541 3.214 1.00 25.00 C ATOM 468 CG HIS A 33 14.890 35.496 3.462 1.00 25.00 C ATOM 469 ND1 HIS A 33 14.048 35.482 4.546 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.563 34.381 2.749 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.270 34.406 4.456 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.536 33.702 3.376 1.00 25.00 N ATOM 0 H HIS A 33 17.963 37.962 2.928 1.00 25.00 H new ATOM 0 HA HIS A 33 16.996 36.307 5.078 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.522 37.519 3.467 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.171 36.560 2.151 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.037 34.073 1.829 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.513 34.143 5.180 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.082 32.842 3.069 1.00 25.00 H new ATOM 480 N GLU A 34 18.497 34.949 2.483 1.00 25.00 N ATOM 481 CA GLU A 34 19.037 33.709 1.930 1.00 25.00 C ATOM 482 C GLU A 34 20.240 33.270 2.752 1.00 25.00 C ATOM 483 O GLU A 34 20.399 32.105 3.075 1.00 25.00 O ATOM 484 CB GLU A 34 19.424 33.933 0.472 1.00 25.00 C ATOM 485 CG GLU A 34 18.375 33.468 -0.539 1.00 25.00 C ATOM 486 CD GLU A 34 18.397 31.959 -0.786 1.00 25.00 C ATOM 487 OE1 GLU A 34 19.261 31.255 -0.221 1.00 25.00 O ATOM 488 OE2 GLU A 34 17.552 31.483 -1.573 1.00 25.00 O ATOM 0 H GLU A 34 18.688 35.778 1.920 1.00 25.00 H new ATOM 0 HA GLU A 34 18.285 32.921 1.972 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.613 34.995 0.318 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.360 33.410 0.273 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.386 33.756 -0.184 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.537 33.986 -1.484 1.00 25.00 H new ATOM 495 N LEU A 35 21.042 34.225 3.181 1.00 25.00 N ATOM 496 CA LEU A 35 22.170 33.908 4.044 1.00 25.00 C ATOM 497 C LEU A 35 21.669 33.365 5.388 1.00 25.00 C ATOM 498 O LEU A 35 22.335 32.558 6.031 1.00 25.00 O ATOM 499 CB LEU A 35 23.073 35.125 4.165 1.00 25.00 C ATOM 500 CG LEU A 35 22.869 36.249 5.181 1.00 25.00 C ATOM 501 CD1 LEU A 35 23.128 35.872 6.632 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.834 37.326 4.752 1.00 25.00 C ATOM 0 H LEU A 35 20.939 35.214 2.952 1.00 25.00 H new ATOM 0 HA LEU A 35 22.777 33.114 3.610 1.00 25.00 H new ATOM 0 HB2 LEU A 35 24.079 34.741 4.336 1.00 25.00 H new ATOM 0 HB3 LEU A 35 23.075 35.600 3.184 1.00 25.00 H new ATOM 0 HG LEU A 35 21.821 36.548 5.176 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.955 36.739 7.270 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.454 35.066 6.924 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.160 35.540 6.743 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.755 38.176 5.429 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.851 36.935 4.778 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.594 37.646 3.738 1.00 25.00 H new ATOM 514 N SER A 36 20.486 33.805 5.798 1.00 25.00 N ATOM 515 CA SER A 36 19.868 33.369 7.052 1.00 25.00 C ATOM 516 C SER A 36 19.315 31.953 6.943 1.00 25.00 C ATOM 517 O SER A 36 19.482 31.156 7.854 1.00 25.00 O ATOM 518 CB SER A 36 18.750 34.322 7.474 1.00 25.00 C ATOM 519 OG SER A 36 18.284 34.002 8.776 1.00 25.00 O ATOM 0 H SER A 36 19.924 34.475 5.273 1.00 25.00 H new ATOM 0 HA SER A 36 20.651 33.378 7.811 1.00 25.00 H new ATOM 0 HB2 SER A 36 19.114 35.349 7.455 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.926 34.262 6.763 1.00 25.00 H new ATOM 0 HG SER A 36 17.570 34.623 9.030 1.00 25.00 H new ATOM 525 N LEU A 37 18.681 31.617 5.829 1.00 25.00 N ATOM 526 CA LEU A 37 18.168 30.257 5.650 1.00 25.00 C ATOM 527 C LEU A 37 19.315 29.321 5.531 1.00 25.00 C ATOM 528 O LEU A 37 19.247 28.174 5.904 1.00 25.00 O ATOM 529 CB LEU A 37 17.248 30.152 4.448 1.00 25.00 C ATOM 530 CG LEU A 37 17.669 30.185 2.969 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.262 28.879 2.489 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.436 30.520 2.127 1.00 25.00 C ATOM 0 H LEU A 37 18.509 32.249 5.047 1.00 25.00 H new ATOM 0 HA LEU A 37 17.569 29.991 6.521 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.706 29.215 4.576 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.524 30.958 4.563 1.00 25.00 H new ATOM 0 HG LEU A 37 18.448 30.940 2.863 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.538 28.969 1.438 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.148 28.644 3.078 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.528 28.082 2.604 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.712 30.549 1.073 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.672 29.758 2.281 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.044 31.492 2.426 1.00 25.00 H new ATOM 544 N LEU A 38 20.388 29.827 4.982 1.00 25.00 N ATOM 545 CA LEU A 38 21.566 29.032 4.811 1.00 25.00 C ATOM 546 C LEU A 38 22.189 28.647 6.142 1.00 25.00 C ATOM 547 O LEU A 38 22.507 27.494 6.350 1.00 25.00 O ATOM 548 CB LEU A 38 22.520 29.807 3.947 1.00 25.00 C ATOM 549 CG LEU A 38 23.745 29.006 3.504 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.342 27.859 2.599 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.736 29.901 2.808 1.00 25.00 C ATOM 0 H LEU A 38 20.466 30.787 4.647 1.00 25.00 H new ATOM 0 HA LEU A 38 21.310 28.090 4.326 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.989 30.160 3.063 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.853 30.690 4.492 1.00 25.00 H new ATOM 0 HG LEU A 38 24.217 28.589 4.393 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.230 27.304 2.297 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.664 27.194 3.134 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.842 28.252 1.714 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.602 29.315 2.499 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.269 30.348 1.930 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.056 30.689 3.490 1.00 25.00 H new ATOM 563 N LYS A 39 22.301 29.580 7.074 1.00 25.00 N ATOM 564 CA LYS A 39 22.781 29.225 8.424 1.00 25.00 C ATOM 565 C LYS A 39 21.759 28.400 9.206 1.00 25.00 C ATOM 566 O LYS A 39 22.134 27.614 10.060 1.00 25.00 O ATOM 567 CB LYS A 39 23.235 30.451 9.232 1.00 25.00 C ATOM 568 CG LYS A 39 22.246 31.608 9.279 1.00 25.00 C ATOM 569 CD LYS A 39 22.660 32.698 10.262 1.00 25.00 C ATOM 570 CE LYS A 39 23.873 33.479 9.754 1.00 25.00 C ATOM 571 NZ LYS A 39 24.246 34.586 10.695 1.00 25.00 N ATOM 0 H LYS A 39 22.076 30.566 6.939 1.00 25.00 H new ATOM 0 HA LYS A 39 23.659 28.598 8.270 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.445 30.134 10.253 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.173 30.814 8.812 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.151 32.040 8.283 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.263 31.229 9.557 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.826 33.382 10.421 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.893 32.249 11.228 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.719 32.802 9.633 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.654 33.894 8.770 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 25.072 35.096 10.321 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.447 35.245 10.791 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.478 34.186 11.627 1.00 25.00 H new ATOM 585 N GLU A 40 20.484 28.550 8.882 1.00 25.00 N ATOM 586 CA GLU A 40 19.426 27.740 9.494 1.00 25.00 C ATOM 587 C GLU A 40 19.512 26.287 9.003 1.00 25.00 C ATOM 588 O GLU A 40 19.483 25.347 9.792 1.00 25.00 O ATOM 589 CB GLU A 40 18.060 28.340 9.112 1.00 25.00 C ATOM 590 CG GLU A 40 16.829 27.558 9.562 1.00 25.00 C ATOM 591 CD GLU A 40 15.562 28.084 8.891 1.00 25.00 C ATOM 592 OE1 GLU A 40 15.034 29.122 9.337 1.00 25.00 O ATOM 593 OE2 GLU A 40 15.123 27.486 7.873 1.00 25.00 O ATOM 0 H GLU A 40 20.149 29.227 8.196 1.00 25.00 H new ATOM 0 HA GLU A 40 19.546 27.744 10.577 1.00 25.00 H new ATOM 0 HB2 GLU A 40 17.999 29.345 9.530 1.00 25.00 H new ATOM 0 HB3 GLU A 40 18.023 28.443 8.028 1.00 25.00 H new ATOM 0 HG2 GLU A 40 16.958 26.502 9.323 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.726 27.629 10.645 1.00 25.00 H new ATOM 600 N ARG A 41 19.553 26.112 7.688 1.00 25.00 N ATOM 601 CA ARG A 41 19.453 24.775 7.076 1.00 25.00 C ATOM 602 C ARG A 41 20.767 24.073 6.775 1.00 25.00 C ATOM 603 O ARG A 41 20.827 22.848 6.747 1.00 25.00 O ATOM 604 CB ARG A 41 18.642 24.893 5.788 1.00 25.00 C ATOM 605 CG ARG A 41 17.300 25.520 6.064 1.00 25.00 C ATOM 606 CD ARG A 41 16.421 25.669 4.854 1.00 25.00 C ATOM 607 NE ARG A 41 15.288 26.524 5.235 1.00 25.00 N ATOM 608 CZ ARG A 41 14.333 26.962 4.431 1.00 25.00 C ATOM 609 NH1 ARG A 41 14.282 26.656 3.157 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.417 27.735 4.936 1.00 25.00 N ATOM 0 H ARG A 41 19.655 26.874 7.017 1.00 25.00 H new ATOM 0 HA ARG A 41 18.972 24.148 7.827 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.188 25.494 5.061 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.505 23.906 5.346 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.777 24.916 6.805 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.457 26.504 6.507 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.977 26.114 4.029 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.069 24.695 4.513 1.00 25.00 H new ATOM 0 HE ARG A 41 15.233 26.807 6.213 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.998 26.056 2.747 1.00 25.00 H new ATOM 0 HH12 ARG A 41 13.526 27.017 2.576 1.00 25.00 H new ATOM 0 HH21 ARG A 41 13.449 27.986 5.924 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.666 28.090 4.344 1.00 25.00 H new ATOM 624 N ASN A 42 21.803 24.843 6.501 1.00 25.00 N ATOM 625 CA ASN A 42 23.123 24.289 6.153 1.00 25.00 C ATOM 626 C ASN A 42 24.289 24.985 6.863 1.00 25.00 C ATOM 627 O ASN A 42 25.090 25.677 6.218 1.00 25.00 O ATOM 628 CB ASN A 42 23.352 24.389 4.641 1.00 25.00 C ATOM 629 CG ASN A 42 24.403 23.423 4.158 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.041 22.745 4.937 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.573 23.344 2.874 1.00 25.00 N ATOM 0 H ASN A 42 21.768 25.862 6.510 1.00 25.00 H new ATOM 0 HA ASN A 42 23.106 23.251 6.486 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.415 24.194 4.120 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.652 25.406 4.387 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.261 22.696 2.490 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.019 23.929 2.249 1.00 25.00 H new ATOM 638 N PRO A 43 24.425 24.799 8.189 1.00 25.00 N ATOM 639 CA PRO A 43 25.537 25.503 8.843 1.00 25.00 C ATOM 640 C PRO A 43 26.970 25.306 8.285 1.00 25.00 C ATOM 641 O PRO A 43 27.709 26.285 8.228 1.00 25.00 O ATOM 642 CB PRO A 43 25.419 25.069 10.312 1.00 25.00 C ATOM 643 CG PRO A 43 24.576 23.836 10.299 1.00 25.00 C ATOM 644 CD PRO A 43 23.628 24.021 9.156 1.00 25.00 C ATOM 0 HA PRO A 43 25.428 26.572 8.661 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.400 24.869 10.742 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.960 25.851 10.916 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.186 22.943 10.164 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.039 23.716 11.240 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.307 23.066 8.739 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.728 24.555 9.460 1.00 25.00 H new ATOM 652 N PRO A 44 27.371 24.094 7.812 1.00 25.00 N ATOM 653 CA PRO A 44 28.749 24.110 7.293 1.00 25.00 C ATOM 654 C PRO A 44 28.971 24.919 5.997 1.00 25.00 C ATOM 655 O PRO A 44 30.045 25.474 5.791 1.00 25.00 O ATOM 656 CB PRO A 44 29.047 22.625 7.066 1.00 25.00 C ATOM 657 CG PRO A 44 27.742 22.035 6.771 1.00 25.00 C ATOM 658 CD PRO A 44 26.800 22.735 7.715 1.00 25.00 C ATOM 0 HA PRO A 44 29.411 24.615 7.996 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.744 22.481 6.241 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.499 22.171 7.948 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.457 22.197 5.731 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.745 20.958 6.937 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.781 22.753 7.328 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.764 22.243 8.687 1.00 25.00 H new ATOM 666 N LEU A 45 27.973 25.018 5.123 1.00 25.00 N ATOM 667 CA LEU A 45 28.132 25.863 3.933 1.00 25.00 C ATOM 668 C LEU A 45 28.005 27.317 4.354 1.00 25.00 C ATOM 669 O LEU A 45 28.666 28.205 3.817 1.00 25.00 O ATOM 670 CB LEU A 45 27.098 25.517 2.857 1.00 25.00 C ATOM 671 CG LEU A 45 27.162 26.322 1.536 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.536 26.291 0.872 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.133 25.759 0.557 1.00 25.00 C ATOM 0 H LEU A 45 27.074 24.544 5.206 1.00 25.00 H new ATOM 0 HA LEU A 45 29.115 25.686 3.496 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.202 24.459 2.615 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.105 25.649 3.286 1.00 25.00 H new ATOM 0 HG LEU A 45 26.950 27.361 1.790 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.509 26.875 -0.048 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.277 26.715 1.549 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.805 25.260 0.640 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.173 26.321 -0.376 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.355 24.711 0.358 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.136 25.843 0.989 1.00 25.00 H new ATOM 685 N ALA A 46 27.169 27.553 5.349 1.00 25.00 N ATOM 686 CA ALA A 46 26.976 28.895 5.857 1.00 25.00 C ATOM 687 C ALA A 46 28.240 29.456 6.492 1.00 25.00 C ATOM 688 O ALA A 46 28.609 30.570 6.189 1.00 25.00 O ATOM 689 CB ALA A 46 25.856 28.916 6.854 1.00 25.00 C ATOM 0 H ALA A 46 26.616 26.835 5.818 1.00 25.00 H new ATOM 0 HA ALA A 46 26.723 29.528 5.006 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.721 29.931 7.228 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.936 28.581 6.375 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.096 28.252 7.684 1.00 25.00 H new ATOM 695 N GLU A 47 28.888 28.713 7.380 1.00 25.00 N ATOM 696 CA GLU A 47 30.059 29.232 8.103 1.00 25.00 C ATOM 697 C GLU A 47 31.179 29.615 7.140 1.00 25.00 C ATOM 698 O GLU A 47 31.907 30.588 7.370 1.00 25.00 O ATOM 699 CB GLU A 47 30.552 28.237 9.164 1.00 25.00 C ATOM 700 CG GLU A 47 31.181 26.977 8.612 1.00 25.00 C ATOM 701 CD GLU A 47 31.584 26.010 9.701 1.00 25.00 C ATOM 702 OE1 GLU A 47 30.698 25.332 10.264 1.00 25.00 O ATOM 703 OE2 GLU A 47 32.799 25.926 9.992 1.00 25.00 O ATOM 0 H GLU A 47 28.631 27.756 7.621 1.00 25.00 H new ATOM 0 HA GLU A 47 29.747 30.137 8.624 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.279 28.739 9.802 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.711 27.958 9.798 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.478 26.488 7.938 1.00 25.00 H new ATOM 0 HG3 GLU A 47 32.058 27.241 8.021 1.00 25.00 H new ATOM 710 N ALA A 48 31.269 28.907 6.023 1.00 25.00 N ATOM 711 CA ALA A 48 32.195 29.245 4.980 1.00 25.00 C ATOM 712 C ALA A 48 31.909 30.639 4.415 1.00 25.00 C ATOM 713 O ALA A 48 32.819 31.448 4.243 1.00 25.00 O ATOM 714 CB ALA A 48 32.099 28.200 3.901 1.00 25.00 C ATOM 0 H ALA A 48 30.698 28.085 5.825 1.00 25.00 H new ATOM 0 HA ALA A 48 33.207 29.267 5.386 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.796 28.440 3.099 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.347 27.224 4.317 1.00 25.00 H new ATOM 0 HB3 ALA A 48 31.084 28.178 3.505 1.00 25.00 H new ATOM 720 N LEU A 49 30.637 30.922 4.181 1.00 25.00 N ATOM 721 CA LEU A 49 30.213 32.225 3.684 1.00 25.00 C ATOM 722 C LEU A 49 30.473 33.308 4.725 1.00 25.00 C ATOM 723 O LEU A 49 30.896 34.407 4.390 1.00 25.00 O ATOM 724 CB LEU A 49 28.713 32.194 3.378 1.00 25.00 C ATOM 725 CG LEU A 49 28.155 33.469 2.737 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.363 33.416 1.237 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.685 33.617 3.083 1.00 25.00 C ATOM 0 H LEU A 49 29.874 30.262 4.328 1.00 25.00 H new ATOM 0 HA LEU A 49 30.781 32.448 2.781 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.510 31.353 2.714 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.172 32.005 4.305 1.00 25.00 H new ATOM 0 HG LEU A 49 28.684 34.339 3.126 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.966 34.323 0.782 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.428 33.338 1.020 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.845 32.549 0.828 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.293 34.525 2.625 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.134 32.754 2.708 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.570 33.678 4.165 1.00 25.00 H new ATOM 739 N LEU A 50 30.205 32.996 5.988 1.00 25.00 N ATOM 740 CA LEU A 50 30.332 33.981 7.070 1.00 25.00 C ATOM 741 C LEU A 50 31.778 34.416 7.236 1.00 25.00 C ATOM 742 O LEU A 50 32.060 35.536 7.641 1.00 25.00 O ATOM 743 CB LEU A 50 29.846 33.415 8.416 1.00 25.00 C ATOM 744 CG LEU A 50 28.464 32.746 8.510 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.076 32.561 9.960 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.367 33.471 7.737 1.00 25.00 C ATOM 0 H LEU A 50 29.899 32.072 6.293 1.00 25.00 H new ATOM 0 HA LEU A 50 29.710 34.832 6.790 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.584 32.684 8.747 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.861 34.232 9.137 1.00 25.00 H new ATOM 0 HG LEU A 50 28.559 31.773 8.027 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.096 32.087 10.017 1.00 25.00 H new ATOM 0 HD12 LEU A 50 28.814 31.931 10.456 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.038 33.532 10.453 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.425 32.936 7.854 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.259 34.485 8.123 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.632 33.511 6.681 1.00 25.00 H new ATOM 758 N SER A 51 32.690 33.506 6.928 1.00 25.00 N ATOM 759 CA SER A 51 34.109 33.774 7.025 1.00 25.00 C ATOM 760 C SER A 51 34.587 34.670 5.880 1.00 25.00 C ATOM 761 O SER A 51 35.583 35.368 6.008 1.00 25.00 O ATOM 762 CB SER A 51 34.844 32.462 6.955 1.00 25.00 C ATOM 763 OG SER A 51 34.451 31.581 7.999 1.00 25.00 O ATOM 0 H SER A 51 32.464 32.565 6.605 1.00 25.00 H new ATOM 0 HA SER A 51 34.305 34.288 7.966 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.655 31.990 5.991 1.00 25.00 H new ATOM 0 HB3 SER A 51 35.917 32.643 7.016 1.00 25.00 H new ATOM 0 HG SER A 51 33.561 31.220 7.805 1.00 25.00 H new ATOM 769 N GLY A 52 33.884 34.621 4.755 1.00 25.00 N ATOM 770 CA GLY A 52 34.187 35.479 3.619 1.00 25.00 C ATOM 771 C GLY A 52 35.098 34.839 2.593 1.00 25.00 C ATOM 772 O GLY A 52 35.116 35.240 1.431 1.00 25.00 O ATOM 0 H GLY A 52 33.095 33.991 4.606 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.254 35.766 3.134 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.652 36.395 3.982 1.00 25.00 H new ATOM 776 N ASP A 53 35.849 33.833 3.015 1.00 25.00 N ATOM 777 CA ASP A 53 36.765 33.134 2.117 1.00 25.00 C ATOM 778 C ASP A 53 36.000 32.379 1.034 1.00 25.00 C ATOM 779 O ASP A 53 35.209 31.477 1.318 1.00 25.00 O ATOM 780 CB ASP A 53 37.612 32.128 2.885 1.00 25.00 C ATOM 781 CG ASP A 53 38.730 31.555 2.049 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.914 32.006 0.897 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.354 30.585 2.506 1.00 25.00 O ATOM 0 H ASP A 53 35.845 33.480 3.972 1.00 25.00 H new ATOM 0 HA ASP A 53 37.404 33.890 1.660 1.00 25.00 H new ATOM 0 HB2 ASP A 53 38.033 32.611 3.767 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.975 31.317 3.239 1.00 25.00 H new ATOM 788 N LEU A 54 36.271 32.702 -0.217 1.00 25.00 N ATOM 789 CA LEU A 54 35.665 31.970 -1.313 1.00 25.00 C ATOM 790 C LEU A 54 36.167 30.540 -1.329 1.00 25.00 C ATOM 791 O LEU A 54 35.421 29.627 -1.632 1.00 25.00 O ATOM 792 CB LEU A 54 36.035 32.597 -2.651 1.00 25.00 C ATOM 793 CG LEU A 54 35.506 31.794 -3.854 1.00 25.00 C ATOM 794 CD1 LEU A 54 34.020 32.001 -4.071 1.00 25.00 C ATOM 795 CD2 LEU A 54 36.303 32.142 -5.045 1.00 25.00 C ATOM 0 H LEU A 54 36.898 33.456 -0.497 1.00 25.00 H new ATOM 0 HA LEU A 54 34.585 32.000 -1.168 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.638 33.611 -2.694 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.120 32.677 -2.722 1.00 25.00 H new ATOM 0 HG LEU A 54 35.621 30.729 -3.652 1.00 25.00 H new ATOM 0 HD11 LEU A 54 33.693 31.415 -4.930 1.00 25.00 H new ATOM 0 HD12 LEU A 54 33.475 31.680 -3.184 1.00 25.00 H new ATOM 0 HD13 LEU A 54 33.823 33.057 -4.256 1.00 25.00 H new ATOM 0 HD21 LEU A 54 35.938 31.579 -5.904 1.00 25.00 H new ATOM 0 HD22 LEU A 54 36.212 33.210 -5.245 1.00 25.00 H new ATOM 0 HD23 LEU A 54 37.350 31.895 -4.867 1.00 25.00 H new ATOM 807 N GLU A 55 37.446 30.343 -1.071 1.00 25.00 N ATOM 808 CA GLU A 55 38.050 29.032 -1.273 1.00 25.00 C ATOM 809 C GLU A 55 37.461 28.027 -0.303 1.00 25.00 C ATOM 810 O GLU A 55 37.272 26.857 -0.631 1.00 25.00 O ATOM 811 CB GLU A 55 39.569 29.133 -1.132 1.00 25.00 C ATOM 812 CG GLU A 55 40.105 30.317 -1.939 1.00 25.00 C ATOM 813 CD GLU A 55 41.531 30.141 -2.451 1.00 25.00 C ATOM 814 OE1 GLU A 55 41.932 30.953 -3.321 1.00 25.00 O ATOM 815 OE2 GLU A 55 42.253 29.238 -1.988 1.00 25.00 O ATOM 0 H GLU A 55 38.083 31.061 -0.726 1.00 25.00 H new ATOM 0 HA GLU A 55 37.829 28.682 -2.281 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.835 29.251 -0.082 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.034 28.210 -1.477 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.446 30.488 -2.790 1.00 25.00 H new ATOM 0 HG3 GLU A 55 40.063 31.212 -1.318 1.00 25.00 H new ATOM 822 N LYS A 56 37.060 28.511 0.862 1.00 25.00 N ATOM 823 CA LYS A 56 36.410 27.620 1.842 1.00 25.00 C ATOM 824 C LYS A 56 34.974 27.405 1.434 1.00 25.00 C ATOM 825 O LYS A 56 34.462 26.305 1.566 1.00 25.00 O ATOM 826 CB LYS A 56 36.531 28.078 3.319 1.00 25.00 C ATOM 827 CG LYS A 56 35.656 29.142 3.794 1.00 25.00 C ATOM 828 CD LYS A 56 36.185 29.669 5.135 1.00 25.00 C ATOM 829 CE LYS A 56 35.811 28.765 6.325 1.00 25.00 C ATOM 830 NZ LYS A 56 36.320 29.305 7.632 1.00 25.00 N ATOM 0 H LYS A 56 37.163 29.482 1.157 1.00 25.00 H new ATOM 0 HA LYS A 56 36.952 26.674 1.820 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.364 27.206 3.951 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.560 28.398 3.483 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.615 29.949 3.063 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.639 28.767 3.912 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.270 29.760 5.081 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.790 30.670 5.308 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.727 28.662 6.374 1.00 25.00 H new ATOM 0 HE3 LYS A 56 36.219 27.767 6.163 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 36.242 28.571 8.365 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.316 29.586 7.527 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.754 30.132 7.910 1.00 25.00 H new ATOM 844 N PHE A 57 34.345 28.436 0.882 1.00 25.00 N ATOM 845 CA PHE A 57 32.968 28.338 0.405 1.00 25.00 C ATOM 846 C PHE A 57 32.872 27.344 -0.744 1.00 25.00 C ATOM 847 O PHE A 57 32.030 26.471 -0.728 1.00 25.00 O ATOM 848 CB PHE A 57 32.457 29.725 -0.009 1.00 25.00 C ATOM 849 CG PHE A 57 31.030 29.728 -0.472 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.724 29.688 -1.846 1.00 25.00 C ATOM 851 CD2 PHE A 57 29.978 29.773 0.461 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.380 29.679 -2.287 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.629 29.771 0.029 1.00 25.00 C ATOM 854 CZ PHE A 57 28.335 29.723 -1.350 1.00 25.00 C ATOM 0 H PHE A 57 34.768 29.355 0.753 1.00 25.00 H new ATOM 0 HA PHE A 57 32.335 27.970 1.213 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.557 30.406 0.836 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.090 30.112 -0.808 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.524 29.664 -2.571 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.201 29.809 1.517 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.158 29.638 -3.343 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.828 29.806 0.753 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.308 29.720 -1.684 1.00 25.00 H new ATOM 864 N SER A 58 33.775 27.441 -1.704 1.00 25.00 N ATOM 865 CA SER A 58 33.816 26.536 -2.847 1.00 25.00 C ATOM 866 C SER A 58 34.137 25.108 -2.422 1.00 25.00 C ATOM 867 O SER A 58 33.588 24.153 -2.968 1.00 25.00 O ATOM 868 CB SER A 58 34.884 27.010 -3.832 1.00 25.00 C ATOM 869 OG SER A 58 34.857 26.244 -5.022 1.00 25.00 O ATOM 0 H SER A 58 34.506 28.153 -1.716 1.00 25.00 H new ATOM 0 HA SER A 58 32.831 26.543 -3.314 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.723 28.062 -4.069 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.868 26.935 -3.370 1.00 25.00 H new ATOM 0 HG SER A 58 35.549 26.568 -5.636 1.00 25.00 H new ATOM 875 N ARG A 59 35.021 24.961 -1.447 1.00 25.00 N ATOM 876 CA ARG A 59 35.423 23.631 -0.981 1.00 25.00 C ATOM 877 C ARG A 59 34.235 22.926 -0.361 1.00 25.00 C ATOM 878 O ARG A 59 33.926 21.796 -0.709 1.00 25.00 O ATOM 879 CB ARG A 59 36.560 23.739 0.045 1.00 25.00 C ATOM 880 CG ARG A 59 36.992 22.399 0.654 1.00 25.00 C ATOM 881 CD ARG A 59 37.083 22.504 2.169 1.00 25.00 C ATOM 882 NE ARG A 59 36.957 21.188 2.805 1.00 25.00 N ATOM 883 CZ ARG A 59 37.093 20.933 4.098 1.00 25.00 C ATOM 884 NH1 ARG A 59 37.409 21.860 4.972 1.00 25.00 N ATOM 885 NH2 ARG A 59 36.900 19.719 4.513 1.00 25.00 N ATOM 0 H ARG A 59 35.474 25.736 -0.963 1.00 25.00 H new ATOM 0 HA ARG A 59 35.781 23.055 -1.835 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.423 24.202 -0.434 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.246 24.405 0.849 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.278 21.622 0.380 1.00 25.00 H new ATOM 0 HG3 ARG A 59 37.958 22.103 0.246 1.00 25.00 H new ATOM 0 HD2 ARG A 59 38.036 22.955 2.447 1.00 25.00 H new ATOM 0 HD3 ARG A 59 36.298 23.165 2.537 1.00 25.00 H new ATOM 0 HE ARG A 59 36.745 20.397 2.196 1.00 25.00 H new ATOM 0 HH11 ARG A 59 37.560 22.821 4.664 1.00 25.00 H new ATOM 0 HH12 ARG A 59 37.503 21.620 5.959 1.00 25.00 H new ATOM 0 HH21 ARG A 59 36.650 18.987 3.849 1.00 25.00 H new ATOM 0 HH22 ARG A 59 36.999 19.497 5.504 1.00 25.00 H new ATOM 899 N VAL A 60 33.551 23.592 0.550 1.00 25.00 N ATOM 900 CA VAL A 60 32.430 22.962 1.224 1.00 25.00 C ATOM 901 C VAL A 60 31.283 22.791 0.221 1.00 25.00 C ATOM 902 O VAL A 60 30.517 21.845 0.313 1.00 25.00 O ATOM 903 CB VAL A 60 32.024 23.736 2.520 1.00 25.00 C ATOM 904 CG1 VAL A 60 31.482 25.079 2.211 1.00 25.00 C ATOM 905 CG2 VAL A 60 31.030 22.924 3.352 1.00 25.00 C ATOM 0 H VAL A 60 33.746 24.551 0.837 1.00 25.00 H new ATOM 0 HA VAL A 60 32.716 21.970 1.575 1.00 25.00 H new ATOM 0 HB VAL A 60 32.929 23.879 3.111 1.00 25.00 H new ATOM 0 HG11 VAL A 60 31.212 25.584 3.138 1.00 25.00 H new ATOM 0 HG12 VAL A 60 32.237 25.664 1.686 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.598 24.979 1.581 1.00 25.00 H new ATOM 0 HG21 VAL A 60 30.763 23.484 4.248 1.00 25.00 H new ATOM 0 HG22 VAL A 60 30.133 22.733 2.763 1.00 25.00 H new ATOM 0 HG23 VAL A 60 31.485 21.976 3.639 1.00 25.00 H new ATOM 915 N LEU A 61 31.188 23.678 -0.766 1.00 25.00 N ATOM 916 CA LEU A 61 30.144 23.577 -1.786 1.00 25.00 C ATOM 917 C LEU A 61 30.263 22.274 -2.568 1.00 25.00 C ATOM 918 O LEU A 61 29.272 21.571 -2.755 1.00 25.00 O ATOM 919 CB LEU A 61 30.232 24.763 -2.757 1.00 25.00 C ATOM 920 CG LEU A 61 28.999 25.005 -3.642 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.169 26.112 -3.032 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.365 25.418 -5.059 1.00 25.00 C ATOM 0 H LEU A 61 31.818 24.472 -0.882 1.00 25.00 H new ATOM 0 HA LEU A 61 29.180 23.592 -1.277 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.422 25.667 -2.178 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.095 24.612 -3.405 1.00 25.00 H new ATOM 0 HG LEU A 61 28.450 24.065 -3.695 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.291 26.292 -3.652 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.852 25.820 -2.031 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.765 27.023 -2.973 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.455 25.575 -5.639 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.942 26.342 -5.031 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.960 24.633 -5.525 1.00 25.00 H new ATOM 934 N VAL A 62 31.461 21.936 -3.023 1.00 25.00 N ATOM 935 CA VAL A 62 31.639 20.714 -3.809 1.00 25.00 C ATOM 936 C VAL A 62 31.532 19.481 -2.906 1.00 25.00 C ATOM 937 O VAL A 62 30.965 18.471 -3.302 1.00 25.00 O ATOM 938 CB VAL A 62 32.968 20.739 -4.648 1.00 25.00 C ATOM 939 CG1 VAL A 62 34.226 20.693 -3.770 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.984 19.587 -5.642 1.00 25.00 C ATOM 0 H VAL A 62 32.312 22.476 -2.868 1.00 25.00 H new ATOM 0 HA VAL A 62 30.832 20.657 -4.540 1.00 25.00 H new ATOM 0 HB VAL A 62 32.986 21.688 -5.183 1.00 25.00 H new ATOM 0 HG11 VAL A 62 35.113 20.713 -4.404 1.00 25.00 H new ATOM 0 HG12 VAL A 62 34.237 21.556 -3.104 1.00 25.00 H new ATOM 0 HG13 VAL A 62 34.223 19.778 -3.178 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.910 19.615 -6.217 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.920 18.641 -5.104 1.00 25.00 H new ATOM 0 HG23 VAL A 62 32.134 19.678 -6.318 1.00 25.00 H new ATOM 950 N GLU A 63 31.998 19.580 -1.672 1.00 25.00 N ATOM 951 CA GLU A 63 31.868 18.470 -0.717 1.00 25.00 C ATOM 952 C GLU A 63 30.396 18.167 -0.430 1.00 25.00 C ATOM 953 O GLU A 63 29.985 17.008 -0.407 1.00 25.00 O ATOM 954 CB GLU A 63 32.580 18.807 0.593 1.00 25.00 C ATOM 955 CG GLU A 63 34.098 18.725 0.499 1.00 25.00 C ATOM 956 CD GLU A 63 34.781 19.068 1.809 1.00 25.00 C ATOM 957 OE1 GLU A 63 35.948 18.658 1.997 1.00 25.00 O ATOM 958 OE2 GLU A 63 34.191 19.799 2.634 1.00 25.00 O ATOM 0 H GLU A 63 32.467 20.406 -1.301 1.00 25.00 H new ATOM 0 HA GLU A 63 32.330 17.590 -1.164 1.00 25.00 H new ATOM 0 HB2 GLU A 63 32.297 19.813 0.902 1.00 25.00 H new ATOM 0 HB3 GLU A 63 32.235 18.125 1.370 1.00 25.00 H new ATOM 0 HG2 GLU A 63 34.386 17.718 0.196 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.448 19.405 -0.278 1.00 25.00 H new