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 -22:sc= 0.213 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 148:sc= 0.166 (180deg=-0.186) USER MOD Single : A 27 MET CE :methyl -172:sc= 0 (180deg=-0.0103) USER MOD Single : A 31 ASN : amide:sc= -1.25 K(o=-1.3,f=-6.3!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -0:sc= 0.591 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.015 K(o=-0.015,f=-3!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.643 29.146 -7.709 1.00 25.00 N ATOM 273 CA PRO A 21 30.554 29.449 -6.277 1.00 25.00 C ATOM 274 C PRO A 21 30.914 30.897 -5.977 1.00 25.00 C ATOM 275 O PRO A 21 30.454 31.472 -5.006 1.00 25.00 O ATOM 276 CB PRO A 21 31.593 28.499 -5.649 1.00 25.00 C ATOM 277 CG PRO A 21 32.523 28.211 -6.734 1.00 25.00 C ATOM 278 CD PRO A 21 31.679 28.130 -7.966 1.00 25.00 C ATOM 0 HA PRO A 21 29.544 29.315 -5.890 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.100 28.966 -4.805 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.124 27.589 -5.275 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.277 28.993 -6.824 1.00 25.00 H new ATOM 0 HG3 PRO A 21 33.054 27.275 -6.559 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.252 28.353 -8.866 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.250 27.137 -8.099 1.00 25.00 H new ATOM 286 N ALA A 22 31.726 31.505 -6.837 1.00 25.00 N ATOM 287 CA ALA A 22 32.109 32.898 -6.659 1.00 25.00 C ATOM 288 C ALA A 22 30.878 33.806 -6.722 1.00 25.00 C ATOM 289 O ALA A 22 30.739 34.727 -5.915 1.00 25.00 O ATOM 290 CB ALA A 22 33.134 33.297 -7.731 1.00 25.00 C ATOM 0 H ALA A 22 32.129 31.056 -7.660 1.00 25.00 H new ATOM 0 HA ALA A 22 32.565 33.017 -5.676 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.417 34.341 -7.593 1.00 25.00 H new ATOM 0 HB2 ALA A 22 34.018 32.666 -7.642 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.695 33.168 -8.720 1.00 25.00 H new ATOM 296 N LEU A 23 29.991 33.537 -7.677 1.00 25.00 N ATOM 297 CA LEU A 23 28.789 34.341 -7.862 1.00 25.00 C ATOM 298 C LEU A 23 27.722 33.982 -6.837 1.00 25.00 C ATOM 299 O LEU A 23 26.998 34.840 -6.371 1.00 25.00 O ATOM 300 CB LEU A 23 28.219 34.147 -9.275 1.00 25.00 C ATOM 301 CG LEU A 23 29.161 34.453 -10.454 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.415 34.228 -11.774 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.715 35.870 -10.427 1.00 25.00 C ATOM 0 H LEU A 23 30.084 32.765 -8.337 1.00 25.00 H new ATOM 0 HA LEU A 23 29.072 35.385 -7.725 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.885 33.114 -9.367 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.336 34.778 -9.374 1.00 25.00 H new ATOM 0 HG LEU A 23 30.010 33.776 -10.364 1.00 25.00 H new ATOM 0 HD11 LEU A 23 29.081 34.444 -12.610 1.00 25.00 H new ATOM 0 HD12 LEU A 23 28.084 33.191 -11.833 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.549 34.888 -11.820 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.371 36.021 -11.284 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.892 36.583 -10.470 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.279 36.023 -9.507 1.00 25.00 H new ATOM 315 N LEU A 24 27.651 32.711 -6.460 1.00 25.00 N ATOM 316 CA LEU A 24 26.681 32.281 -5.451 1.00 25.00 C ATOM 317 C LEU A 24 27.014 32.922 -4.116 1.00 25.00 C ATOM 318 O LEU A 24 26.135 33.389 -3.413 1.00 25.00 O ATOM 319 CB LEU A 24 26.675 30.756 -5.321 1.00 25.00 C ATOM 320 CG LEU A 24 25.630 30.138 -4.372 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.235 30.731 -4.542 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.566 28.642 -4.625 1.00 25.00 C ATOM 0 H LEU A 24 28.243 31.967 -6.829 1.00 25.00 H new ATOM 0 HA LEU A 24 25.686 32.599 -5.763 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.523 30.332 -6.314 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.664 30.441 -4.987 1.00 25.00 H new ATOM 0 HG LEU A 24 25.947 30.361 -3.353 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.548 30.252 -3.844 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.268 31.802 -4.341 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.890 30.564 -5.563 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.830 28.192 -3.959 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.278 28.460 -5.661 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.544 28.199 -4.437 1.00 25.00 H new ATOM 334 N ARG A 25 28.298 32.992 -3.805 1.00 25.00 N ATOM 335 CA ARG A 25 28.770 33.652 -2.587 1.00 25.00 C ATOM 336 C ARG A 25 28.331 35.110 -2.613 1.00 25.00 C ATOM 337 O ARG A 25 27.890 35.642 -1.611 1.00 25.00 O ATOM 338 CB ARG A 25 30.307 33.512 -2.527 1.00 25.00 C ATOM 339 CG ARG A 25 31.032 34.333 -1.451 1.00 25.00 C ATOM 340 CD ARG A 25 31.499 35.692 -1.976 1.00 25.00 C ATOM 341 NE ARG A 25 32.418 35.579 -3.125 1.00 25.00 N ATOM 342 CZ ARG A 25 33.716 35.838 -3.106 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.351 36.204 -2.017 1.00 25.00 N ATOM 344 NH2 ARG A 25 34.392 35.728 -4.215 1.00 25.00 N ATOM 0 H ARG A 25 29.042 32.598 -4.381 1.00 25.00 H new ATOM 0 HA ARG A 25 28.346 33.194 -1.693 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.547 32.460 -2.372 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.713 33.792 -3.499 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.366 34.483 -0.601 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.892 33.771 -1.086 1.00 25.00 H new ATOM 0 HD2 ARG A 25 30.630 36.281 -2.269 1.00 25.00 H new ATOM 0 HD3 ARG A 25 31.996 36.235 -1.172 1.00 25.00 H new ATOM 0 HE ARG A 25 32.018 35.274 -4.012 1.00 25.00 H new ATOM 0 HH11 ARG A 25 33.843 36.299 -1.138 1.00 25.00 H new ATOM 0 HH12 ARG A 25 35.353 36.393 -2.050 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.920 35.447 -5.074 1.00 25.00 H new ATOM 0 HH22 ARG A 25 35.393 35.923 -4.223 1.00 25.00 H new ATOM 358 N ASP A 26 28.444 35.745 -3.773 1.00 25.00 N ATOM 359 CA ASP A 26 28.089 37.158 -3.900 1.00 25.00 C ATOM 360 C ASP A 26 26.584 37.368 -3.701 1.00 25.00 C ATOM 361 O ASP A 26 26.161 38.215 -2.919 1.00 25.00 O ATOM 362 CB ASP A 26 28.502 37.666 -5.284 1.00 25.00 C ATOM 363 CG ASP A 26 28.467 39.167 -5.381 1.00 25.00 C ATOM 364 OD1 ASP A 26 29.187 39.820 -4.597 1.00 25.00 O ATOM 365 OD2 ASP A 26 27.796 39.692 -6.283 1.00 25.00 O ATOM 0 H ASP A 26 28.776 35.311 -4.634 1.00 25.00 H new ATOM 0 HA ASP A 26 28.617 37.717 -3.127 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.508 37.314 -5.511 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.838 37.241 -6.037 1.00 25.00 H new ATOM 370 N MET A 27 25.782 36.533 -4.350 1.00 25.00 N ATOM 371 CA MET A 27 24.323 36.601 -4.230 1.00 25.00 C ATOM 372 C MET A 27 23.888 36.333 -2.800 1.00 25.00 C ATOM 373 O MET A 27 23.004 36.997 -2.286 1.00 25.00 O ATOM 374 CB MET A 27 23.669 35.581 -5.157 1.00 25.00 C ATOM 375 CG MET A 27 22.151 35.732 -5.261 1.00 25.00 C ATOM 376 SD MET A 27 21.411 34.561 -6.431 1.00 25.00 S ATOM 377 CE MET A 27 21.308 33.044 -5.442 1.00 25.00 C ATOM 0 H MET A 27 26.116 35.795 -4.970 1.00 25.00 H new ATOM 0 HA MET A 27 24.007 37.605 -4.514 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.104 35.676 -6.152 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.902 34.577 -4.801 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.707 35.585 -4.276 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.911 36.749 -5.571 1.00 25.00 H new ATOM 0 HE1 MET A 27 21.006 32.214 -6.080 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.282 32.829 -5.004 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.574 33.177 -4.647 1.00 25.00 H new ATOM 387 N LEU A 28 24.518 35.367 -2.160 1.00 25.00 N ATOM 388 CA LEU A 28 24.179 35.019 -0.788 1.00 25.00 C ATOM 389 C LEU A 28 24.494 36.153 0.165 1.00 25.00 C ATOM 390 O LEU A 28 23.709 36.464 1.042 1.00 25.00 O ATOM 391 CB LEU A 28 24.949 33.787 -0.353 1.00 25.00 C ATOM 392 CG LEU A 28 24.296 32.458 -0.726 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.308 31.368 -0.579 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.105 32.188 0.175 1.00 25.00 C ATOM 0 H LEU A 28 25.268 34.807 -2.566 1.00 25.00 H new ATOM 0 HA LEU A 28 23.108 34.821 -0.758 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.945 33.823 -0.795 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.079 33.821 0.729 1.00 25.00 H new ATOM 0 HG LEU A 28 23.944 32.499 -1.757 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.854 30.412 -0.842 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.152 31.564 -1.240 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.656 31.332 0.453 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.648 31.238 -0.101 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.436 32.144 1.212 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.374 32.989 0.062 1.00 25.00 H new ATOM 406 N LEU A 29 25.642 36.788 -0.022 1.00 25.00 N ATOM 407 CA LEU A 29 26.036 37.908 0.835 1.00 25.00 C ATOM 408 C LEU A 29 25.066 39.066 0.674 1.00 25.00 C ATOM 409 O LEU A 29 24.734 39.760 1.633 1.00 25.00 O ATOM 410 CB LEU A 29 27.449 38.391 0.485 1.00 25.00 C ATOM 411 CG LEU A 29 28.598 37.501 0.969 1.00 25.00 C ATOM 412 CD1 LEU A 29 29.891 37.950 0.296 1.00 25.00 C ATOM 413 CD2 LEU A 29 28.764 37.534 2.489 1.00 25.00 C ATOM 0 H LEU A 29 26.315 36.553 -0.752 1.00 25.00 H new ATOM 0 HA LEU A 29 26.021 37.557 1.867 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.521 38.488 -0.598 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.586 39.388 0.904 1.00 25.00 H new ATOM 0 HG LEU A 29 28.361 36.472 0.698 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.715 37.322 0.635 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.788 37.861 -0.786 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.096 38.988 0.557 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.592 36.886 2.779 1.00 25.00 H new ATOM 0 HD22 LEU A 29 28.972 38.555 2.810 1.00 25.00 H new ATOM 0 HD23 LEU A 29 27.847 37.185 2.963 1.00 25.00 H new ATOM 425 N ALA A 30 24.594 39.254 -0.547 1.00 25.00 N ATOM 426 CA ALA A 30 23.643 40.312 -0.854 1.00 25.00 C ATOM 427 C ALA A 30 22.214 39.961 -0.412 1.00 25.00 C ATOM 428 O ALA A 30 21.335 40.821 -0.425 1.00 25.00 O ATOM 429 CB ALA A 30 23.666 40.590 -2.368 1.00 25.00 C ATOM 0 H ALA A 30 24.856 38.682 -1.350 1.00 25.00 H new ATOM 0 HA ALA A 30 23.943 41.200 -0.298 1.00 25.00 H new ATOM 0 HB1 ALA A 30 22.955 41.382 -2.603 1.00 25.00 H new ATOM 0 HB2 ALA A 30 24.667 40.901 -2.666 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.392 39.684 -2.908 1.00 25.00 H new ATOM 435 N ASN A 31 21.960 38.702 -0.072 1.00 25.00 N ATOM 436 CA ASN A 31 20.604 38.259 0.235 1.00 25.00 C ATOM 437 C ASN A 31 20.441 37.845 1.700 1.00 25.00 C ATOM 438 O ASN A 31 20.772 36.715 2.081 1.00 25.00 O ATOM 439 CB ASN A 31 20.233 37.093 -0.679 1.00 25.00 C ATOM 440 CG ASN A 31 18.761 36.850 -0.718 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.080 36.896 0.303 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.252 36.605 -1.893 1.00 25.00 N ATOM 0 H ASN A 31 22.670 37.973 -0.002 1.00 25.00 H new ATOM 0 HA ASN A 31 19.935 39.102 0.064 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.592 37.296 -1.688 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.739 36.190 -0.336 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.250 36.442 -1.991 1.00 25.00 H new ATOM 0 HD22 ASN A 31 18.856 36.576 -2.715 1.00 25.00 H new ATOM 449 N PRO A 32 19.897 38.735 2.547 1.00 25.00 N ATOM 450 CA PRO A 32 19.806 38.387 3.968 1.00 25.00 C ATOM 451 C PRO A 32 18.886 37.208 4.303 1.00 25.00 C ATOM 452 O PRO A 32 19.091 36.530 5.307 1.00 25.00 O ATOM 453 CB PRO A 32 19.296 39.685 4.603 1.00 25.00 C ATOM 454 CG PRO A 32 18.558 40.361 3.512 1.00 25.00 C ATOM 455 CD PRO A 32 19.383 40.097 2.301 1.00 25.00 C ATOM 0 HA PRO A 32 20.769 38.038 4.340 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.648 39.483 5.456 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.119 40.300 4.967 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.550 39.960 3.404 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.457 41.430 3.701 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.789 40.147 1.388 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.191 40.821 2.196 1.00 25.00 H new ATOM 463 N HIS A 33 17.881 36.948 3.476 1.00 25.00 N ATOM 464 CA HIS A 33 16.987 35.825 3.737 1.00 25.00 C ATOM 465 C HIS A 33 17.646 34.503 3.355 1.00 25.00 C ATOM 466 O HIS A 33 17.533 33.501 4.048 1.00 25.00 O ATOM 467 CB HIS A 33 15.700 35.985 2.938 1.00 25.00 C ATOM 468 CG HIS A 33 14.679 34.930 3.231 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.871 34.917 4.345 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.346 33.807 2.542 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.108 33.833 4.292 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.352 33.123 3.209 1.00 25.00 N ATOM 0 H HIS A 33 17.666 37.486 2.636 1.00 25.00 H new ATOM 0 HA HIS A 33 16.764 35.816 4.804 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.270 36.964 3.149 1.00 25.00 H new ATOM 0 HB3 HIS A 33 15.937 35.964 1.874 1.00 25.00 H new ATOM 0 HD2 HIS A 33 14.794 33.496 1.610 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.378 33.566 5.042 1.00 25.00 H new ATOM 0 HE2 HIS A 33 12.902 32.253 2.925 1.00 25.00 H new ATOM 480 N GLU A 34 18.344 34.513 2.240 1.00 25.00 N ATOM 481 CA GLU A 34 18.974 33.305 1.728 1.00 25.00 C ATOM 482 C GLU A 34 20.161 32.945 2.610 1.00 25.00 C ATOM 483 O GLU A 34 20.434 31.784 2.877 1.00 25.00 O ATOM 484 CB GLU A 34 19.411 33.526 0.282 1.00 25.00 C ATOM 485 CG GLU A 34 18.480 32.927 -0.751 1.00 25.00 C ATOM 486 CD GLU A 34 18.885 31.505 -1.127 1.00 25.00 C ATOM 487 OE1 GLU A 34 19.328 31.297 -2.283 1.00 25.00 O ATOM 488 OE2 GLU A 34 18.773 30.599 -0.274 1.00 25.00 O ATOM 0 H GLU A 34 18.492 35.343 1.666 1.00 25.00 H new ATOM 0 HA GLU A 34 18.264 32.478 1.746 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.495 34.597 0.100 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.406 33.101 0.147 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.461 32.924 -0.363 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.479 33.552 -1.644 1.00 25.00 H new ATOM 495 N LEU A 35 20.836 33.953 3.134 1.00 25.00 N ATOM 496 CA LEU A 35 21.967 33.713 4.020 1.00 25.00 C ATOM 497 C LEU A 35 21.497 33.253 5.411 1.00 25.00 C ATOM 498 O LEU A 35 22.192 32.489 6.083 1.00 25.00 O ATOM 499 CB LEU A 35 22.852 34.956 4.053 1.00 25.00 C ATOM 500 CG LEU A 35 22.663 36.132 5.016 1.00 25.00 C ATOM 501 CD1 LEU A 35 23.000 35.829 6.478 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.562 37.233 4.502 1.00 25.00 C ATOM 0 H LEU A 35 20.626 34.937 2.965 1.00 25.00 H new ATOM 0 HA LEU A 35 22.573 32.892 3.637 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.869 34.598 4.211 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.815 35.379 3.049 1.00 25.00 H new ATOM 0 HG LEU A 35 21.606 36.399 5.031 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.835 36.721 7.082 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.361 35.023 6.839 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.044 35.526 6.555 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.474 38.106 5.148 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.596 36.887 4.499 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.266 37.501 3.488 1.00 25.00 H new ATOM 514 N SER A 36 20.327 33.705 5.841 1.00 25.00 N ATOM 515 CA SER A 36 19.792 33.321 7.150 1.00 25.00 C ATOM 516 C SER A 36 19.240 31.898 7.141 1.00 25.00 C ATOM 517 O SER A 36 19.490 31.142 8.068 1.00 25.00 O ATOM 518 CB SER A 36 18.737 34.304 7.652 1.00 25.00 C ATOM 519 OG SER A 36 17.706 34.482 6.713 1.00 25.00 O ATOM 0 H SER A 36 19.728 34.336 5.308 1.00 25.00 H new ATOM 0 HA SER A 36 20.630 33.353 7.846 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.317 33.940 8.590 1.00 25.00 H new ATOM 0 HB3 SER A 36 19.206 35.265 7.864 1.00 25.00 H new ATOM 0 HG SER A 36 17.885 33.932 5.922 1.00 25.00 H new ATOM 525 N LEU A 37 18.566 31.487 6.068 1.00 25.00 N ATOM 526 CA LEU A 37 18.104 30.102 5.985 1.00 25.00 C ATOM 527 C LEU A 37 19.288 29.203 5.881 1.00 25.00 C ATOM 528 O LEU A 37 19.274 28.078 6.340 1.00 25.00 O ATOM 529 CB LEU A 37 17.164 29.896 4.810 1.00 25.00 C ATOM 530 CG LEU A 37 17.610 29.938 3.344 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.162 28.607 2.853 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.430 30.346 2.480 1.00 25.00 C ATOM 0 H LEU A 37 18.333 32.073 5.266 1.00 25.00 H new ATOM 0 HA LEU A 37 17.540 29.863 6.887 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.697 28.922 4.959 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.379 30.645 4.912 1.00 25.00 H new ATOM 0 HG LEU A 37 18.419 30.664 3.270 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.461 28.700 1.809 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.027 28.328 3.454 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.394 27.839 2.944 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.738 30.379 1.435 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.625 29.621 2.598 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.079 31.332 2.786 1.00 25.00 H new ATOM 544 N LEU A 38 20.333 29.700 5.261 1.00 25.00 N ATOM 545 CA LEU A 38 21.524 28.921 5.081 1.00 25.00 C ATOM 546 C LEU A 38 22.220 28.614 6.397 1.00 25.00 C ATOM 547 O LEU A 38 22.612 27.485 6.626 1.00 25.00 O ATOM 548 CB LEU A 38 22.427 29.670 4.134 1.00 25.00 C ATOM 549 CG LEU A 38 23.690 28.919 3.704 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.334 27.737 2.840 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.643 29.841 2.969 1.00 25.00 C ATOM 0 H LEU A 38 20.377 30.643 4.874 1.00 25.00 H new ATOM 0 HA LEU A 38 21.262 27.950 4.660 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.856 29.929 3.242 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.724 30.607 4.605 1.00 25.00 H new ATOM 0 HG LEU A 38 24.190 28.556 4.602 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.244 27.215 2.544 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.692 27.057 3.400 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.808 28.082 1.950 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.533 29.285 2.674 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.152 30.238 2.081 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.930 30.664 3.623 1.00 25.00 H new ATOM 563 N LYS A 39 22.332 29.586 7.287 1.00 25.00 N ATOM 564 CA LYS A 39 22.925 29.317 8.609 1.00 25.00 C ATOM 565 C LYS A 39 22.024 28.429 9.460 1.00 25.00 C ATOM 566 O LYS A 39 22.522 27.679 10.286 1.00 25.00 O ATOM 567 CB LYS A 39 23.319 30.600 9.363 1.00 25.00 C ATOM 568 CG LYS A 39 22.245 31.677 9.412 1.00 25.00 C ATOM 569 CD LYS A 39 22.506 32.747 10.449 1.00 25.00 C ATOM 570 CE LYS A 39 23.594 33.709 9.995 1.00 25.00 C ATOM 571 NZ LYS A 39 23.751 34.841 10.973 1.00 25.00 N ATOM 0 H LYS A 39 22.032 30.549 7.136 1.00 25.00 H new ATOM 0 HA LYS A 39 23.850 28.773 8.420 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.591 30.333 10.384 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.210 31.019 8.895 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.167 32.145 8.431 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.283 31.209 9.619 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.587 33.300 10.642 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.800 32.280 11.389 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.539 33.175 9.896 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.347 34.105 9.010 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.498 35.484 10.642 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 22.854 35.362 11.048 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.009 34.461 11.906 1.00 25.00 H new ATOM 585 N GLU A 40 20.722 28.464 9.219 1.00 25.00 N ATOM 586 CA GLU A 40 19.806 27.568 9.931 1.00 25.00 C ATOM 587 C GLU A 40 19.886 26.147 9.397 1.00 25.00 C ATOM 588 O GLU A 40 20.004 25.188 10.156 1.00 25.00 O ATOM 589 CB GLU A 40 18.363 28.027 9.735 1.00 25.00 C ATOM 590 CG GLU A 40 17.916 29.127 10.668 1.00 25.00 C ATOM 591 CD GLU A 40 16.444 29.431 10.488 1.00 25.00 C ATOM 592 OE1 GLU A 40 16.092 30.608 10.267 1.00 25.00 O ATOM 593 OE2 GLU A 40 15.631 28.478 10.521 1.00 25.00 O ATOM 0 H GLU A 40 20.276 29.090 8.549 1.00 25.00 H new ATOM 0 HA GLU A 40 20.097 27.593 10.981 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.242 28.370 8.707 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.703 27.169 9.865 1.00 25.00 H new ATOM 0 HG2 GLU A 40 18.106 28.832 11.700 1.00 25.00 H new ATOM 0 HG3 GLU A 40 18.502 30.027 10.481 1.00 25.00 H new ATOM 600 N ARG A 41 19.730 26.007 8.089 1.00 25.00 N ATOM 601 CA ARG A 41 19.578 24.691 7.476 1.00 25.00 C ATOM 602 C ARG A 41 20.865 24.013 7.040 1.00 25.00 C ATOM 603 O ARG A 41 20.915 22.791 6.919 1.00 25.00 O ATOM 604 CB ARG A 41 18.638 24.804 6.286 1.00 25.00 C ATOM 605 CG ARG A 41 17.285 25.433 6.667 1.00 25.00 C ATOM 606 CD ARG A 41 16.168 25.032 5.715 1.00 25.00 C ATOM 607 NE ARG A 41 15.712 23.657 5.987 1.00 25.00 N ATOM 608 CZ ARG A 41 14.874 23.307 6.963 1.00 25.00 C ATOM 609 NH1 ARG A 41 14.352 24.173 7.792 1.00 25.00 N ATOM 610 NH2 ARG A 41 14.564 22.047 7.110 1.00 25.00 N ATOM 0 H ARG A 41 19.705 26.786 7.431 1.00 25.00 H new ATOM 0 HA ARG A 41 19.175 24.051 8.261 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.110 25.406 5.509 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.469 23.813 5.864 1.00 25.00 H new ATOM 0 HG2 ARG A 41 17.020 25.131 7.680 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.381 26.519 6.672 1.00 25.00 H new ATOM 0 HD2 ARG A 41 15.332 25.724 5.818 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.518 25.106 4.685 1.00 25.00 H new ATOM 0 HE ARG A 41 16.065 22.916 5.382 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.582 25.163 7.707 1.00 25.00 H new ATOM 0 HH12 ARG A 41 13.715 23.858 8.524 1.00 25.00 H new ATOM 0 HH21 ARG A 41 14.962 21.347 6.483 1.00 25.00 H new ATOM 0 HH22 ARG A 41 13.924 21.762 7.852 1.00 25.00 H new ATOM 624 N ASN A 42 21.895 24.799 6.777 1.00 25.00 N ATOM 625 CA ASN A 42 23.193 24.267 6.353 1.00 25.00 C ATOM 626 C ASN A 42 24.375 24.988 7.013 1.00 25.00 C ATOM 627 O ASN A 42 25.159 25.670 6.335 1.00 25.00 O ATOM 628 CB ASN A 42 23.340 24.391 4.837 1.00 25.00 C ATOM 629 CG ASN A 42 24.392 23.469 4.287 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.044 22.743 5.017 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.553 23.482 3.003 1.00 25.00 N ATOM 0 H ASN A 42 21.863 25.816 6.848 1.00 25.00 H new ATOM 0 HA ASN A 42 23.215 23.223 6.664 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.384 24.171 4.363 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.593 25.420 4.582 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.245 22.870 2.570 1.00 25.00 H new ATOM 0 HD22 ASN A 42 23.988 24.104 2.424 1.00 25.00 H new ATOM 638 N PRO A 43 24.543 24.838 8.340 1.00 25.00 N ATOM 639 CA PRO A 43 25.653 25.583 8.952 1.00 25.00 C ATOM 640 C PRO A 43 27.080 25.364 8.396 1.00 25.00 C ATOM 641 O PRO A 43 27.841 26.332 8.352 1.00 25.00 O ATOM 642 CB PRO A 43 25.552 25.213 10.437 1.00 25.00 C ATOM 643 CG PRO A 43 24.761 23.947 10.478 1.00 25.00 C ATOM 644 CD PRO A 43 23.786 24.063 9.344 1.00 25.00 C ATOM 0 HA PRO A 43 25.532 26.642 8.723 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.540 25.073 10.875 1.00 25.00 H new ATOM 0 HB3 PRO A 43 25.060 26.002 11.006 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.404 23.075 10.358 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.246 23.834 11.432 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.491 23.085 8.962 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.873 24.576 9.646 1.00 25.00 H new ATOM 652 N PRO A 44 27.453 24.142 7.921 1.00 25.00 N ATOM 653 CA PRO A 44 28.827 24.150 7.394 1.00 25.00 C ATOM 654 C PRO A 44 29.030 24.967 6.108 1.00 25.00 C ATOM 655 O PRO A 44 30.117 25.494 5.878 1.00 25.00 O ATOM 656 CB PRO A 44 29.112 22.667 7.144 1.00 25.00 C ATOM 657 CG PRO A 44 27.802 22.093 6.840 1.00 25.00 C ATOM 658 CD PRO A 44 26.869 22.788 7.804 1.00 25.00 C ATOM 0 HA PRO A 44 29.502 24.636 8.098 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.808 22.530 6.316 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.560 22.195 8.019 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.516 22.277 5.804 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.795 21.013 6.986 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.848 22.821 7.423 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.834 22.280 8.768 1.00 25.00 H new ATOM 666 N LEU A 45 28.014 25.093 5.257 1.00 25.00 N ATOM 667 CA LEU A 45 28.160 25.941 4.073 1.00 25.00 C ATOM 668 C LEU A 45 28.037 27.394 4.501 1.00 25.00 C ATOM 669 O LEU A 45 28.718 28.276 3.983 1.00 25.00 O ATOM 670 CB LEU A 45 27.133 25.609 2.995 1.00 25.00 C ATOM 671 CG LEU A 45 27.301 26.379 1.659 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.713 26.260 1.053 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.279 25.856 0.654 1.00 25.00 C ATOM 0 H LEU A 45 27.108 24.636 5.357 1.00 25.00 H new ATOM 0 HA LEU A 45 29.140 25.758 3.632 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.181 24.540 2.788 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.138 25.813 3.390 1.00 25.00 H new ATOM 0 HG LEU A 45 27.142 27.435 1.879 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.757 26.823 0.121 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.445 26.661 1.754 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.937 25.212 0.855 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.389 26.391 -0.289 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.444 24.791 0.488 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.273 26.011 1.044 1.00 25.00 H new ATOM 685 N ALA A 46 27.172 27.644 5.472 1.00 25.00 N ATOM 686 CA ALA A 46 27.010 28.997 5.972 1.00 25.00 C ATOM 687 C ALA A 46 28.303 29.553 6.563 1.00 25.00 C ATOM 688 O ALA A 46 28.697 30.640 6.204 1.00 25.00 O ATOM 689 CB ALA A 46 25.926 29.047 6.995 1.00 25.00 C ATOM 0 H ALA A 46 26.583 26.943 5.921 1.00 25.00 H new ATOM 0 HA ALA A 46 26.739 29.621 5.121 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.817 30.068 7.360 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.988 28.720 6.547 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.180 28.390 7.827 1.00 25.00 H new ATOM 695 N GLU A 47 28.963 28.823 7.455 1.00 25.00 N ATOM 696 CA GLU A 47 30.181 29.339 8.100 1.00 25.00 C ATOM 697 C GLU A 47 31.249 29.682 7.067 1.00 25.00 C ATOM 698 O GLU A 47 32.039 30.607 7.255 1.00 25.00 O ATOM 699 CB GLU A 47 30.730 28.342 9.142 1.00 25.00 C ATOM 700 CG GLU A 47 31.287 27.058 8.537 1.00 25.00 C ATOM 701 CD GLU A 47 31.890 26.128 9.566 1.00 25.00 C ATOM 702 OE1 GLU A 47 31.129 25.526 10.359 1.00 25.00 O ATOM 703 OE2 GLU A 47 33.139 25.985 9.569 1.00 25.00 O ATOM 0 H GLU A 47 28.687 27.886 7.750 1.00 25.00 H new ATOM 0 HA GLU A 47 29.910 30.256 8.623 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.515 28.830 9.719 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.933 28.087 9.841 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.489 26.537 8.009 1.00 25.00 H new ATOM 0 HG3 GLU A 47 32.046 27.312 7.797 1.00 25.00 H new ATOM 710 N ALA A 48 31.247 28.953 5.964 1.00 25.00 N ATOM 711 CA ALA A 48 32.159 29.179 4.877 1.00 25.00 C ATOM 712 C ALA A 48 31.897 30.541 4.226 1.00 25.00 C ATOM 713 O ALA A 48 32.827 31.281 3.902 1.00 25.00 O ATOM 714 CB ALA A 48 31.996 28.046 3.863 1.00 25.00 C ATOM 0 H ALA A 48 30.601 28.180 5.805 1.00 25.00 H new ATOM 0 HA ALA A 48 33.183 29.189 5.249 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.682 28.202 3.030 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.219 27.093 4.343 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.971 28.034 3.492 1.00 25.00 H new ATOM 720 N LEU A 49 30.627 30.881 4.093 1.00 25.00 N ATOM 721 CA LEU A 49 30.208 32.164 3.535 1.00 25.00 C ATOM 722 C LEU A 49 30.537 33.292 4.506 1.00 25.00 C ATOM 723 O LEU A 49 31.068 34.322 4.115 1.00 25.00 O ATOM 724 CB LEU A 49 28.688 32.146 3.304 1.00 25.00 C ATOM 725 CG LEU A 49 28.097 33.419 2.691 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.300 33.419 1.193 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.613 33.514 3.029 1.00 25.00 C ATOM 0 H LEU A 49 29.852 30.277 4.368 1.00 25.00 H new ATOM 0 HA LEU A 49 30.734 32.327 2.594 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.447 31.305 2.653 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.196 31.961 4.259 1.00 25.00 H new ATOM 0 HG LEU A 49 28.608 34.287 3.108 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.876 34.329 0.768 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.366 33.377 0.970 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.805 32.551 0.759 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.197 34.421 2.591 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.092 32.645 2.627 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.488 33.544 4.111 1.00 25.00 H new ATOM 739 N LEU A 50 30.212 33.080 5.779 1.00 25.00 N ATOM 740 CA LEU A 50 30.371 34.124 6.799 1.00 25.00 C ATOM 741 C LEU A 50 31.841 34.479 6.965 1.00 25.00 C ATOM 742 O LEU A 50 32.200 35.592 7.305 1.00 25.00 O ATOM 743 CB LEU A 50 29.836 33.664 8.162 1.00 25.00 C ATOM 744 CG LEU A 50 28.412 33.082 8.264 1.00 25.00 C ATOM 745 CD1 LEU A 50 27.998 32.997 9.716 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.378 33.829 7.447 1.00 25.00 C ATOM 0 H LEU A 50 29.838 32.199 6.132 1.00 25.00 H new ATOM 0 HA LEU A 50 29.803 34.991 6.462 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.524 32.911 8.545 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.889 34.517 8.838 1.00 25.00 H new ATOM 0 HG LEU A 50 28.452 32.083 7.829 1.00 25.00 H new ATOM 0 HD11 LEU A 50 26.991 32.585 9.784 1.00 25.00 H new ATOM 0 HD12 LEU A 50 28.691 32.351 10.255 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.013 33.993 10.158 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.404 33.357 7.573 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.326 34.864 7.785 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.659 33.805 6.394 1.00 25.00 H new ATOM 758 N SER A 51 32.686 33.488 6.731 1.00 25.00 N ATOM 759 CA SER A 51 34.129 33.638 6.866 1.00 25.00 C ATOM 760 C SER A 51 34.736 34.457 5.729 1.00 25.00 C ATOM 761 O SER A 51 35.865 34.924 5.846 1.00 25.00 O ATOM 762 CB SER A 51 34.745 32.261 6.852 1.00 25.00 C ATOM 763 OG SER A 51 36.129 32.287 7.174 1.00 25.00 O ATOM 0 H SER A 51 32.392 32.555 6.442 1.00 25.00 H new ATOM 0 HA SER A 51 34.332 34.166 7.798 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.220 31.623 7.564 1.00 25.00 H new ATOM 0 HB3 SER A 51 34.612 31.816 5.866 1.00 25.00 H new ATOM 0 HG SER A 51 36.490 33.180 6.995 1.00 25.00 H new ATOM 769 N GLY A 52 34.021 34.585 4.622 1.00 25.00 N ATOM 770 CA GLY A 52 34.482 35.394 3.501 1.00 25.00 C ATOM 771 C GLY A 52 35.404 34.658 2.547 1.00 25.00 C ATOM 772 O GLY A 52 35.571 35.068 1.394 1.00 25.00 O ATOM 0 H GLY A 52 33.116 34.138 4.474 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.616 35.755 2.947 1.00 25.00 H new ATOM 0 HA3 GLY A 52 35.001 36.271 3.888 1.00 25.00 H new ATOM 776 N ASP A 53 36.014 33.580 3.018 1.00 25.00 N ATOM 777 CA ASP A 53 36.957 32.832 2.198 1.00 25.00 C ATOM 778 C ASP A 53 36.254 32.080 1.075 1.00 25.00 C ATOM 779 O ASP A 53 35.522 31.118 1.313 1.00 25.00 O ATOM 780 CB ASP A 53 37.763 31.839 3.033 1.00 25.00 C ATOM 781 CG ASP A 53 39.092 31.523 2.400 1.00 25.00 C ATOM 782 OD1 ASP A 53 39.974 30.989 3.097 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.237 31.776 1.181 1.00 25.00 O ATOM 0 H ASP A 53 35.875 33.205 3.956 1.00 25.00 H new ATOM 0 HA ASP A 53 37.635 33.567 1.764 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.924 32.249 4.030 1.00 25.00 H new ATOM 0 HB3 ASP A 53 37.191 30.919 3.155 1.00 25.00 H new ATOM 788 N LEU A 54 36.489 32.495 -0.157 1.00 25.00 N ATOM 789 CA LEU A 54 35.905 31.801 -1.298 1.00 25.00 C ATOM 790 C LEU A 54 36.437 30.376 -1.342 1.00 25.00 C ATOM 791 O LEU A 54 35.724 29.458 -1.703 1.00 25.00 O ATOM 792 CB LEU A 54 36.247 32.521 -2.602 1.00 25.00 C ATOM 793 CG LEU A 54 35.570 32.032 -3.901 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.360 30.922 -4.605 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.103 31.592 -3.712 1.00 25.00 C ATOM 0 H LEU A 54 37.072 33.298 -0.395 1.00 25.00 H new ATOM 0 HA LEU A 54 34.821 31.789 -1.187 1.00 25.00 H new ATOM 0 HB2 LEU A 54 36.002 33.576 -2.475 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.326 32.459 -2.744 1.00 25.00 H new ATOM 0 HG LEU A 54 35.566 32.913 -4.543 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.835 30.620 -5.511 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.352 31.291 -4.867 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.456 30.065 -3.938 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.696 31.262 -4.668 1.00 25.00 H new ATOM 0 HD22 LEU A 54 34.059 30.771 -2.996 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.517 32.431 -3.338 1.00 25.00 H new ATOM 807 N GLU A 55 37.688 30.194 -0.943 1.00 25.00 N ATOM 808 CA GLU A 55 38.307 28.863 -0.964 1.00 25.00 C ATOM 809 C GLU A 55 37.474 27.883 -0.147 1.00 25.00 C ATOM 810 O GLU A 55 37.086 26.806 -0.624 1.00 25.00 O ATOM 811 CB GLU A 55 39.720 28.899 -0.367 1.00 25.00 C ATOM 812 CG GLU A 55 40.710 29.767 -1.118 1.00 25.00 C ATOM 813 CD GLU A 55 41.263 29.078 -2.352 1.00 25.00 C ATOM 814 OE1 GLU A 55 42.312 28.407 -2.242 1.00 25.00 O ATOM 815 OE2 GLU A 55 40.626 29.171 -3.426 1.00 25.00 O ATOM 0 H GLU A 55 38.295 30.940 -0.603 1.00 25.00 H new ATOM 0 HA GLU A 55 38.360 28.545 -2.005 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.655 29.254 0.661 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.108 27.881 -0.328 1.00 25.00 H new ATOM 0 HG2 GLU A 55 40.224 30.697 -1.412 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.533 30.033 -0.454 1.00 25.00 H new ATOM 822 N LYS A 56 37.172 28.260 1.092 1.00 25.00 N ATOM 823 CA LYS A 56 36.374 27.379 1.947 1.00 25.00 C ATOM 824 C LYS A 56 34.938 27.305 1.450 1.00 25.00 C ATOM 825 O LYS A 56 34.335 26.245 1.507 1.00 25.00 O ATOM 826 CB LYS A 56 36.479 27.765 3.438 1.00 25.00 C ATOM 827 CG LYS A 56 35.654 28.877 3.914 1.00 25.00 C ATOM 828 CD LYS A 56 36.178 29.368 5.261 1.00 25.00 C ATOM 829 CE LYS A 56 35.656 28.537 6.441 1.00 25.00 C ATOM 830 NZ LYS A 56 36.075 29.139 7.760 1.00 25.00 N ATOM 0 H LYS A 56 37.456 29.142 1.519 1.00 25.00 H new ATOM 0 HA LYS A 56 36.788 26.373 1.878 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.229 26.885 4.030 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.521 28.006 3.649 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.670 29.690 3.189 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.617 28.557 4.011 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.268 29.337 5.255 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.889 30.410 5.400 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.569 28.477 6.394 1.00 25.00 H new ATOM 0 HE3 LYS A 56 36.034 27.518 6.367 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.344 28.951 8.475 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.975 28.716 8.065 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 36.195 30.166 7.650 1.00 25.00 H new ATOM 844 N PHE A 57 34.404 28.394 0.916 1.00 25.00 N ATOM 845 CA PHE A 57 33.040 28.375 0.386 1.00 25.00 C ATOM 846 C PHE A 57 32.911 27.389 -0.766 1.00 25.00 C ATOM 847 O PHE A 57 32.044 26.522 -0.747 1.00 25.00 O ATOM 848 CB PHE A 57 32.589 29.772 -0.043 1.00 25.00 C ATOM 849 CG PHE A 57 31.169 29.812 -0.547 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.903 29.762 -1.927 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.097 29.879 0.359 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.571 29.782 -2.411 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.758 29.900 -0.114 1.00 25.00 C ATOM 854 CZ PHE A 57 28.504 29.845 -1.509 1.00 25.00 C ATOM 0 H PHE A 57 34.882 29.291 0.837 1.00 25.00 H new ATOM 0 HA PHE A 57 32.383 28.044 1.190 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.686 30.453 0.802 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.255 30.137 -0.825 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.724 29.708 -2.627 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.292 29.915 1.421 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.380 29.749 -3.474 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.937 29.958 0.585 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.488 29.852 -1.874 1.00 25.00 H new ATOM 864 N SER A 58 33.802 27.477 -1.744 1.00 25.00 N ATOM 865 CA SER A 58 33.816 26.570 -2.881 1.00 25.00 C ATOM 866 C SER A 58 34.048 25.125 -2.444 1.00 25.00 C ATOM 867 O SER A 58 33.373 24.218 -2.915 1.00 25.00 O ATOM 868 CB SER A 58 34.929 26.994 -3.844 1.00 25.00 C ATOM 869 OG SER A 58 34.927 26.194 -5.015 1.00 25.00 O ATOM 0 H SER A 58 34.538 28.183 -1.770 1.00 25.00 H new ATOM 0 HA SER A 58 32.844 26.621 -3.372 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.799 28.041 -4.116 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.895 26.912 -3.346 1.00 25.00 H new ATOM 0 HG SER A 58 35.646 26.487 -5.613 1.00 25.00 H new ATOM 875 N ARG A 59 34.970 24.898 -1.515 1.00 25.00 N ATOM 876 CA ARG A 59 35.256 23.534 -1.053 1.00 25.00 C ATOM 877 C ARG A 59 34.008 22.919 -0.440 1.00 25.00 C ATOM 878 O ARG A 59 33.636 21.801 -0.776 1.00 25.00 O ATOM 879 CB ARG A 59 36.399 23.534 -0.031 1.00 25.00 C ATOM 880 CG ARG A 59 36.636 22.163 0.650 1.00 25.00 C ATOM 881 CD ARG A 59 36.145 22.179 2.096 1.00 25.00 C ATOM 882 NE ARG A 59 35.967 20.824 2.657 1.00 25.00 N ATOM 883 CZ ARG A 59 35.833 20.543 3.949 1.00 25.00 C ATOM 884 NH1 ARG A 59 35.883 21.473 4.876 1.00 25.00 N ATOM 885 NH2 ARG A 59 35.641 19.312 4.317 1.00 25.00 N ATOM 0 H ARG A 59 35.528 25.626 -1.069 1.00 25.00 H new ATOM 0 HA ARG A 59 35.563 22.937 -1.912 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.318 23.844 -0.529 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.186 24.278 0.737 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.117 21.382 0.094 1.00 25.00 H new ATOM 0 HG3 ARG A 59 37.698 21.919 0.625 1.00 25.00 H new ATOM 0 HD2 ARG A 59 36.857 22.731 2.710 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.197 22.715 2.147 1.00 25.00 H new ATOM 0 HE ARG A 59 35.945 20.043 2.001 1.00 25.00 H new ATOM 0 HH11 ARG A 59 36.029 22.448 4.613 1.00 25.00 H new ATOM 0 HH12 ARG A 59 35.776 21.220 5.858 1.00 25.00 H new ATOM 0 HH21 ARG A 59 35.594 18.572 3.617 1.00 25.00 H new ATOM 0 HH22 ARG A 59 35.537 19.086 5.306 1.00 25.00 H new ATOM 899 N VAL A 60 33.362 23.645 0.451 1.00 25.00 N ATOM 900 CA VAL A 60 32.187 23.111 1.118 1.00 25.00 C ATOM 901 C VAL A 60 31.062 22.971 0.102 1.00 25.00 C ATOM 902 O VAL A 60 30.278 22.046 0.190 1.00 25.00 O ATOM 903 CB VAL A 60 31.759 23.977 2.335 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.526 23.377 3.008 1.00 25.00 C ATOM 905 CG2 VAL A 60 32.897 24.052 3.375 1.00 25.00 C ATOM 0 H VAL A 60 33.624 24.591 0.728 1.00 25.00 H new ATOM 0 HA VAL A 60 32.430 22.128 1.523 1.00 25.00 H new ATOM 0 HB VAL A 60 31.531 24.978 1.968 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.239 23.995 3.859 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.704 23.339 2.293 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.754 22.369 3.353 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.578 24.663 4.220 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.138 23.048 3.724 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.780 24.499 2.917 1.00 25.00 H new ATOM 915 N LEU A 61 31.011 23.847 -0.888 1.00 25.00 N ATOM 916 CA LEU A 61 29.983 23.748 -1.919 1.00 25.00 C ATOM 917 C LEU A 61 30.039 22.396 -2.627 1.00 25.00 C ATOM 918 O LEU A 61 29.006 21.765 -2.821 1.00 25.00 O ATOM 919 CB LEU A 61 30.146 24.870 -2.951 1.00 25.00 C ATOM 920 CG LEU A 61 28.862 25.188 -3.708 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.133 26.307 -2.988 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.143 25.620 -5.121 1.00 25.00 C ATOM 0 H LEU A 61 31.659 24.626 -1.002 1.00 25.00 H new ATOM 0 HA LEU A 61 29.015 23.846 -1.428 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.493 25.771 -2.445 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.919 24.587 -3.665 1.00 25.00 H new ATOM 0 HG LEU A 61 28.254 24.284 -3.743 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.212 26.543 -3.521 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.894 25.991 -1.973 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.769 27.192 -2.952 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.203 25.838 -5.629 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.766 26.514 -5.111 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.664 24.821 -5.649 1.00 25.00 H new ATOM 934 N VAL A 62 31.228 21.928 -2.966 1.00 25.00 N ATOM 935 CA VAL A 62 31.378 20.630 -3.635 1.00 25.00 C ATOM 936 C VAL A 62 30.998 19.495 -2.686 1.00 25.00 C ATOM 937 O VAL A 62 30.295 18.565 -3.064 1.00 25.00 O ATOM 938 CB VAL A 62 32.834 20.402 -4.142 1.00 25.00 C ATOM 939 CG1 VAL A 62 32.962 19.029 -4.830 1.00 25.00 C ATOM 940 CG2 VAL A 62 33.229 21.505 -5.131 1.00 25.00 C ATOM 0 H VAL A 62 32.105 22.419 -2.793 1.00 25.00 H new ATOM 0 HA VAL A 62 30.710 20.636 -4.496 1.00 25.00 H new ATOM 0 HB VAL A 62 33.501 20.430 -3.281 1.00 25.00 H new ATOM 0 HG11 VAL A 62 33.986 18.890 -5.177 1.00 25.00 H new ATOM 0 HG12 VAL A 62 32.709 18.241 -4.120 1.00 25.00 H new ATOM 0 HG13 VAL A 62 32.282 18.983 -5.680 1.00 25.00 H new ATOM 0 HG21 VAL A 62 34.248 21.335 -5.478 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.549 21.491 -5.982 1.00 25.00 H new ATOM 0 HG23 VAL A 62 33.171 22.475 -4.637 1.00 25.00 H new ATOM 950 N GLU A 63 31.429 19.596 -1.439 1.00 25.00 N ATOM 951 CA GLU A 63 31.128 18.573 -0.428 1.00 25.00 C ATOM 952 C GLU A 63 29.609 18.475 -0.244 1.00 25.00 C ATOM 953 O GLU A 63 29.044 17.393 -0.132 1.00 25.00 O ATOM 954 CB GLU A 63 31.786 18.940 0.905 1.00 25.00 C ATOM 955 CG GLU A 63 33.312 19.049 0.847 1.00 25.00 C ATOM 956 CD GLU A 63 34.021 17.786 1.262 1.00 25.00 C ATOM 957 OE1 GLU A 63 35.008 17.903 2.024 1.00 25.00 O ATOM 958 OE2 GLU A 63 33.621 16.687 0.838 1.00 25.00 O ATOM 0 H GLU A 63 31.990 20.375 -1.094 1.00 25.00 H new ATOM 0 HA GLU A 63 31.520 17.612 -0.761 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.379 19.891 1.248 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.515 18.191 1.649 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.612 19.307 -0.169 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.635 19.866 1.492 1.00 25.00 H new