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 77:sc= 1.63 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -167:sc= 0.727 (180deg=0) USER MOD Single : A 27 MET CE :methyl -160:sc= 0 (180deg=-0.436) USER MOD Single : A 31 ASN : amide:sc= -1.36 K(o=-1.4,f=-7.1!) USER MOD Single : A 33 HIS : no HD1:sc=-0.00942 X(o=-0.0094,f=0) USER MOD Single : A 36 SER OG : rot 81:sc= 1.23 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.13 K(o=-0.13,f=-4.6!) USER MOD Single : A 58 SER OG : rot 180:sc=-0.00262 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.482 28.864 -7.419 1.00 25.00 N ATOM 273 CA PRO A 21 30.543 29.255 -6.009 1.00 25.00 C ATOM 274 C PRO A 21 30.845 30.730 -5.825 1.00 25.00 C ATOM 275 O PRO A 21 30.385 31.337 -4.881 1.00 25.00 O ATOM 276 CB PRO A 21 31.701 28.407 -5.465 1.00 25.00 C ATOM 277 CG PRO A 21 32.477 28.031 -6.662 1.00 25.00 C ATOM 278 CD PRO A 21 31.485 27.831 -7.727 1.00 25.00 C ATOM 0 HA PRO A 21 29.592 29.095 -5.501 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.309 28.972 -4.759 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.335 27.527 -4.937 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.188 28.812 -6.930 1.00 25.00 H new ATOM 0 HG3 PRO A 21 33.053 27.122 -6.487 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.919 27.968 -8.718 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.058 26.829 -7.702 1.00 25.00 H new ATOM 286 N ALA A 22 31.600 31.313 -6.745 1.00 25.00 N ATOM 287 CA ALA A 22 31.934 32.725 -6.662 1.00 25.00 C ATOM 288 C ALA A 22 30.675 33.589 -6.730 1.00 25.00 C ATOM 289 O ALA A 22 30.504 34.501 -5.932 1.00 25.00 O ATOM 290 CB ALA A 22 32.902 33.090 -7.790 1.00 25.00 C ATOM 0 H ALA A 22 31.991 30.831 -7.554 1.00 25.00 H new ATOM 0 HA ALA A 22 32.415 32.917 -5.703 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.152 34.149 -7.727 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.811 32.497 -7.695 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.433 32.885 -8.752 1.00 25.00 H new ATOM 296 N LEU A 23 29.798 33.284 -7.678 1.00 25.00 N ATOM 297 CA LEU A 23 28.579 34.072 -7.873 1.00 25.00 C ATOM 298 C LEU A 23 27.589 33.812 -6.753 1.00 25.00 C ATOM 299 O LEU A 23 26.937 34.726 -6.267 1.00 25.00 O ATOM 300 CB LEU A 23 27.907 33.727 -9.211 1.00 25.00 C ATOM 301 CG LEU A 23 28.734 33.923 -10.493 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.879 33.541 -11.700 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.236 35.349 -10.660 1.00 25.00 C ATOM 0 H LEU A 23 29.903 32.501 -8.323 1.00 25.00 H new ATOM 0 HA LEU A 23 28.869 35.123 -7.874 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.592 32.684 -9.170 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.003 34.330 -9.299 1.00 25.00 H new ATOM 0 HG LEU A 23 29.612 33.282 -10.417 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.458 33.677 -12.614 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.575 32.498 -11.615 1.00 25.00 H new ATOM 0 HD13 LEU A 23 26.993 34.175 -11.734 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.813 35.426 -11.582 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.387 36.031 -10.705 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.869 35.613 -9.813 1.00 25.00 H new ATOM 315 N LEU A 24 27.478 32.561 -6.335 1.00 25.00 N ATOM 316 CA LEU A 24 26.545 32.209 -5.272 1.00 25.00 C ATOM 317 C LEU A 24 26.964 32.838 -3.953 1.00 25.00 C ATOM 318 O LEU A 24 26.135 33.344 -3.211 1.00 25.00 O ATOM 319 CB LEU A 24 26.458 30.692 -5.111 1.00 25.00 C ATOM 320 CG LEU A 24 25.472 30.229 -4.023 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.067 30.797 -4.210 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.427 28.729 -3.982 1.00 25.00 C ATOM 0 H LEU A 24 28.015 31.779 -6.709 1.00 25.00 H new ATOM 0 HA LEU A 24 25.564 32.594 -5.550 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.163 30.253 -6.064 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.450 30.305 -4.876 1.00 25.00 H new ATOM 0 HG LEU A 24 25.839 30.616 -3.072 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.419 30.434 -3.412 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.107 31.886 -4.178 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.670 30.477 -5.174 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.728 28.407 -3.210 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.100 28.348 -4.950 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.420 28.341 -3.756 1.00 25.00 H new ATOM 334 N ARG A 25 28.261 32.839 -3.680 1.00 25.00 N ATOM 335 CA ARG A 25 28.793 33.449 -2.459 1.00 25.00 C ATOM 336 C ARG A 25 28.402 34.906 -2.462 1.00 25.00 C ATOM 337 O ARG A 25 27.960 35.447 -1.466 1.00 25.00 O ATOM 338 CB ARG A 25 30.323 33.323 -2.441 1.00 25.00 C ATOM 339 CG ARG A 25 31.008 33.907 -1.214 1.00 25.00 C ATOM 340 CD ARG A 25 32.381 34.449 -1.562 1.00 25.00 C ATOM 341 NE ARG A 25 32.288 35.667 -2.391 1.00 25.00 N ATOM 342 CZ ARG A 25 33.163 36.666 -2.398 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.241 36.663 -1.652 1.00 25.00 N ATOM 344 NH2 ARG A 25 32.949 37.700 -3.162 1.00 25.00 N ATOM 0 H ARG A 25 28.969 32.425 -4.286 1.00 25.00 H new ATOM 0 HA ARG A 25 28.392 32.949 -1.577 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.585 32.268 -2.516 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.722 33.814 -3.328 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.394 34.705 -0.796 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.100 33.140 -0.445 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.928 34.672 -0.646 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.950 33.687 -2.095 1.00 25.00 H new ATOM 0 HE ARG A 25 31.483 35.748 -3.012 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.433 35.873 -1.036 1.00 25.00 H new ATOM 0 HH12 ARG A 25 34.888 37.451 -1.687 1.00 25.00 H new ATOM 0 HH21 ARG A 25 32.115 37.737 -3.748 1.00 25.00 H new ATOM 0 HH22 ARG A 25 33.616 38.472 -3.174 1.00 25.00 H new ATOM 358 N ASP A 26 28.565 35.535 -3.606 1.00 25.00 N ATOM 359 CA ASP A 26 28.267 36.948 -3.747 1.00 25.00 C ATOM 360 C ASP A 26 26.774 37.242 -3.543 1.00 25.00 C ATOM 361 O ASP A 26 26.410 38.160 -2.810 1.00 25.00 O ATOM 362 CB ASP A 26 28.725 37.391 -5.126 1.00 25.00 C ATOM 363 CG ASP A 26 29.513 38.678 -5.081 1.00 25.00 C ATOM 364 OD1 ASP A 26 29.070 39.696 -5.641 1.00 25.00 O ATOM 365 OD2 ASP A 26 30.621 38.648 -4.489 1.00 25.00 O ATOM 0 H ASP A 26 28.904 35.089 -4.458 1.00 25.00 H new ATOM 0 HA ASP A 26 28.797 37.507 -2.976 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.338 36.608 -5.572 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.856 37.522 -5.771 1.00 25.00 H new ATOM 370 N MET A 27 25.915 36.418 -4.132 1.00 25.00 N ATOM 371 CA MET A 27 24.464 36.563 -3.967 1.00 25.00 C ATOM 372 C MET A 27 24.061 36.376 -2.515 1.00 25.00 C ATOM 373 O MET A 27 23.260 37.130 -1.988 1.00 25.00 O ATOM 374 CB MET A 27 23.728 35.522 -4.814 1.00 25.00 C ATOM 375 CG MET A 27 22.215 35.728 -4.849 1.00 25.00 C ATOM 376 SD MET A 27 21.371 34.432 -5.781 1.00 25.00 S ATOM 377 CE MET A 27 21.205 33.123 -4.526 1.00 25.00 C ATOM 0 H MET A 27 26.194 35.640 -4.730 1.00 25.00 H new ATOM 0 HA MET A 27 24.194 37.568 -4.291 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.115 35.554 -5.832 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.943 34.528 -4.422 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.829 35.750 -3.830 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.992 36.697 -5.295 1.00 25.00 H new ATOM 0 HE1 MET A 27 21.040 32.165 -5.019 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.116 33.072 -3.930 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.359 33.347 -3.876 1.00 25.00 H new ATOM 387 N LEU A 28 24.626 35.370 -1.871 1.00 25.00 N ATOM 388 CA LEU A 28 24.321 35.072 -0.481 1.00 25.00 C ATOM 389 C LEU A 28 24.740 36.198 0.438 1.00 25.00 C ATOM 390 O LEU A 28 24.008 36.573 1.341 1.00 25.00 O ATOM 391 CB LEU A 28 25.044 33.816 -0.068 1.00 25.00 C ATOM 392 CG LEU A 28 24.240 32.560 -0.363 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.178 31.416 -0.452 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.231 32.342 0.734 1.00 25.00 C ATOM 0 H LEU A 28 25.306 34.739 -2.294 1.00 25.00 H new ATOM 0 HA LEU A 28 23.242 34.943 -0.398 1.00 25.00 H new ATOM 0 HB2 LEU A 28 26.000 33.763 -0.589 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.264 33.861 0.999 1.00 25.00 H new ATOM 0 HG LEU A 28 23.702 32.659 -1.306 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.620 30.504 -0.663 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.896 31.596 -1.252 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.708 31.306 0.494 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.654 31.442 0.524 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.748 32.227 1.687 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.560 33.199 0.787 1.00 25.00 H new ATOM 406 N LEU A 29 25.916 36.751 0.189 1.00 25.00 N ATOM 407 CA LEU A 29 26.426 37.859 1.003 1.00 25.00 C ATOM 408 C LEU A 29 25.504 39.065 0.882 1.00 25.00 C ATOM 409 O LEU A 29 25.287 39.797 1.846 1.00 25.00 O ATOM 410 CB LEU A 29 27.841 38.251 0.555 1.00 25.00 C ATOM 411 CG LEU A 29 28.978 37.319 1.009 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.235 37.592 0.183 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.288 37.495 2.498 1.00 25.00 C ATOM 0 H LEU A 29 26.538 36.458 -0.565 1.00 25.00 H new ATOM 0 HA LEU A 29 26.461 37.532 2.042 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.854 38.303 -0.534 1.00 25.00 H new ATOM 0 HB3 LEU A 29 28.052 39.255 0.924 1.00 25.00 H new ATOM 0 HG LEU A 29 28.651 36.291 0.852 1.00 25.00 H new ATOM 0 HD11 LEU A 29 31.036 36.929 0.510 1.00 25.00 H new ATOM 0 HD12 LEU A 29 30.023 37.414 -0.871 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.543 38.628 0.321 1.00 25.00 H new ATOM 0 HD21 LEU A 29 30.096 36.821 2.784 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.590 38.525 2.687 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.399 37.264 3.085 1.00 25.00 H new ATOM 425 N ALA A 30 24.953 39.253 -0.306 1.00 25.00 N ATOM 426 CA ALA A 30 24.048 40.362 -0.575 1.00 25.00 C ATOM 427 C ALA A 30 22.598 40.082 -0.143 1.00 25.00 C ATOM 428 O ALA A 30 21.768 40.992 -0.155 1.00 25.00 O ATOM 429 CB ALA A 30 24.091 40.690 -2.075 1.00 25.00 C ATOM 0 H ALA A 30 25.118 38.645 -1.108 1.00 25.00 H new ATOM 0 HA ALA A 30 24.388 41.210 0.019 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.416 41.520 -2.286 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.106 40.968 -2.358 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.781 39.816 -2.648 1.00 25.00 H new ATOM 435 N ASN A 31 22.270 38.837 0.186 1.00 25.00 N ATOM 436 CA ASN A 31 20.881 38.471 0.474 1.00 25.00 C ATOM 437 C ASN A 31 20.683 38.052 1.932 1.00 25.00 C ATOM 438 O ASN A 31 20.995 36.921 2.314 1.00 25.00 O ATOM 439 CB ASN A 31 20.436 37.351 -0.465 1.00 25.00 C ATOM 440 CG ASN A 31 18.946 37.182 -0.484 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.280 37.235 0.549 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.410 36.968 -1.653 1.00 25.00 N ATOM 0 H ASN A 31 22.937 38.069 0.260 1.00 25.00 H new ATOM 0 HA ASN A 31 20.265 39.355 0.308 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.788 37.565 -1.474 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.902 36.415 -0.157 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.402 36.837 -1.736 1.00 25.00 H new ATOM 0 HD22 ASN A 31 18.999 36.932 -2.485 1.00 25.00 H new ATOM 449 N PRO A 32 20.127 38.949 2.767 1.00 25.00 N ATOM 450 CA PRO A 32 20.005 38.594 4.184 1.00 25.00 C ATOM 451 C PRO A 32 19.051 37.437 4.487 1.00 25.00 C ATOM 452 O PRO A 32 19.216 36.753 5.491 1.00 25.00 O ATOM 453 CB PRO A 32 19.519 39.899 4.822 1.00 25.00 C ATOM 454 CG PRO A 32 18.794 40.593 3.726 1.00 25.00 C ATOM 455 CD PRO A 32 19.624 40.314 2.515 1.00 25.00 C ATOM 0 HA PRO A 32 20.952 38.221 4.573 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.865 39.707 5.673 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.353 40.497 5.189 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.780 40.210 3.612 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.711 41.663 3.916 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.034 40.364 1.600 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.438 41.031 2.409 1.00 25.00 H new ATOM 463 N HIS A 33 18.065 37.196 3.635 1.00 25.00 N ATOM 464 CA HIS A 33 17.142 36.086 3.855 1.00 25.00 C ATOM 465 C HIS A 33 17.809 34.763 3.495 1.00 25.00 C ATOM 466 O HIS A 33 17.652 33.760 4.187 1.00 25.00 O ATOM 467 CB HIS A 33 15.882 36.256 3.002 1.00 25.00 C ATOM 468 CG HIS A 33 14.866 35.177 3.219 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.890 35.213 4.184 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.681 33.989 2.574 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.179 34.092 4.097 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.620 33.307 3.137 1.00 25.00 N ATOM 0 H HIS A 33 17.882 37.745 2.795 1.00 25.00 H new ATOM 0 HA HIS A 33 16.867 36.082 4.910 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.429 37.222 3.225 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.164 36.272 1.949 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.276 33.634 1.746 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.342 33.855 4.736 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.257 32.393 2.867 1.00 25.00 H new ATOM 480 N GLU A 34 18.541 34.768 2.396 1.00 25.00 N ATOM 481 CA GLU A 34 19.143 33.548 1.871 1.00 25.00 C ATOM 482 C GLU A 34 20.286 33.136 2.780 1.00 25.00 C ATOM 483 O GLU A 34 20.414 31.992 3.165 1.00 25.00 O ATOM 484 CB GLU A 34 19.631 33.792 0.443 1.00 25.00 C ATOM 485 CG GLU A 34 19.177 32.761 -0.573 1.00 25.00 C ATOM 486 CD GLU A 34 20.091 31.541 -0.644 1.00 25.00 C ATOM 487 OE1 GLU A 34 20.860 31.433 -1.623 1.00 25.00 O ATOM 488 OE2 GLU A 34 20.046 30.695 0.273 1.00 25.00 O ATOM 0 H GLU A 34 18.736 35.604 1.845 1.00 25.00 H new ATOM 0 HA GLU A 34 18.410 32.742 1.843 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.287 34.775 0.120 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.721 33.821 0.447 1.00 25.00 H new ATOM 0 HG2 GLU A 34 18.167 32.436 -0.324 1.00 25.00 H new ATOM 0 HG3 GLU A 34 19.128 33.228 -1.557 1.00 25.00 H new ATOM 495 N LEU A 35 21.074 34.101 3.216 1.00 25.00 N ATOM 496 CA LEU A 35 22.165 33.806 4.128 1.00 25.00 C ATOM 497 C LEU A 35 21.637 33.253 5.458 1.00 25.00 C ATOM 498 O LEU A 35 22.297 32.451 6.114 1.00 25.00 O ATOM 499 CB LEU A 35 23.038 35.036 4.269 1.00 25.00 C ATOM 500 CG LEU A 35 22.786 36.161 5.270 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.940 35.782 6.735 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.804 37.201 4.893 1.00 25.00 C ATOM 0 H LEU A 35 20.982 35.084 2.958 1.00 25.00 H new ATOM 0 HA LEU A 35 22.794 33.012 3.725 1.00 25.00 H new ATOM 0 HB2 LEU A 35 24.045 34.671 4.471 1.00 25.00 H new ATOM 0 HB3 LEU A 35 23.061 35.505 3.286 1.00 25.00 H new ATOM 0 HG LEU A 35 21.747 36.485 5.207 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.739 36.653 7.359 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.235 34.988 6.982 1.00 25.00 H new ATOM 0 HD13 LEU A 35 23.957 35.433 6.916 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.709 38.061 5.556 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.805 36.780 4.985 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.637 37.517 3.863 1.00 25.00 H new ATOM 514 N SER A 36 20.438 33.680 5.841 1.00 25.00 N ATOM 515 CA SER A 36 19.787 33.219 7.066 1.00 25.00 C ATOM 516 C SER A 36 19.245 31.807 6.919 1.00 25.00 C ATOM 517 O SER A 36 19.387 30.996 7.813 1.00 25.00 O ATOM 518 CB SER A 36 18.659 34.159 7.480 1.00 25.00 C ATOM 519 OG SER A 36 19.185 35.434 7.812 1.00 25.00 O ATOM 0 H SER A 36 19.888 34.356 5.311 1.00 25.00 H new ATOM 0 HA SER A 36 20.550 33.216 7.844 1.00 25.00 H new ATOM 0 HB2 SER A 36 17.938 34.254 6.668 1.00 25.00 H new ATOM 0 HB3 SER A 36 18.124 33.744 8.334 1.00 25.00 H new ATOM 0 HG SER A 36 19.337 35.949 6.992 1.00 25.00 H new ATOM 525 N LEU A 37 18.647 31.488 5.785 1.00 25.00 N ATOM 526 CA LEU A 37 18.155 30.133 5.574 1.00 25.00 C ATOM 527 C LEU A 37 19.322 29.225 5.504 1.00 25.00 C ATOM 528 O LEU A 37 19.262 28.092 5.911 1.00 25.00 O ATOM 529 CB LEU A 37 17.287 30.031 4.332 1.00 25.00 C ATOM 530 CG LEU A 37 17.757 30.049 2.872 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.402 28.759 2.434 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.535 30.325 2.000 1.00 25.00 C ATOM 0 H LEU A 37 18.491 32.131 5.009 1.00 25.00 H new ATOM 0 HA LEU A 37 17.514 29.845 6.407 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.729 29.101 4.445 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.568 30.846 4.414 1.00 25.00 H new ATOM 0 HG LEU A 37 18.520 30.821 2.771 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.710 28.842 1.392 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.275 28.559 3.056 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.688 27.942 2.537 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.833 30.345 0.952 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.795 29.540 2.152 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.103 31.288 2.273 1.00 25.00 H new ATOM 544 N LEU A 38 20.399 29.732 4.961 1.00 25.00 N ATOM 545 CA LEU A 38 21.588 28.952 4.805 1.00 25.00 C ATOM 546 C LEU A 38 22.203 28.545 6.127 1.00 25.00 C ATOM 547 O LEU A 38 22.555 27.397 6.301 1.00 25.00 O ATOM 548 CB LEU A 38 22.557 29.746 3.973 1.00 25.00 C ATOM 549 CG LEU A 38 23.798 28.946 3.561 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.407 27.813 2.642 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.836 29.816 2.901 1.00 25.00 C ATOM 0 H LEU A 38 20.471 30.690 4.619 1.00 25.00 H new ATOM 0 HA LEU A 38 21.333 28.017 4.306 1.00 25.00 H new ATOM 0 HB2 LEU A 38 22.049 30.103 3.077 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.870 30.627 4.534 1.00 25.00 H new ATOM 0 HG LEU A 38 24.241 28.538 4.469 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.297 27.252 2.356 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.711 27.151 3.157 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.931 28.217 1.749 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.698 29.209 2.625 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.413 30.272 2.006 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.149 30.597 3.593 1.00 25.00 H new ATOM 563 N LYS A 39 22.287 29.454 7.084 1.00 25.00 N ATOM 564 CA LYS A 39 22.797 29.075 8.415 1.00 25.00 C ATOM 565 C LYS A 39 21.844 28.129 9.133 1.00 25.00 C ATOM 566 O LYS A 39 22.284 27.294 9.909 1.00 25.00 O ATOM 567 CB LYS A 39 23.135 30.293 9.293 1.00 25.00 C ATOM 568 CG LYS A 39 22.077 31.389 9.311 1.00 25.00 C ATOM 569 CD LYS A 39 22.331 32.453 10.360 1.00 25.00 C ATOM 570 CE LYS A 39 23.466 33.380 9.941 1.00 25.00 C ATOM 571 NZ LYS A 39 23.623 34.503 10.922 1.00 25.00 N ATOM 0 H LYS A 39 22.021 30.433 6.983 1.00 25.00 H new ATOM 0 HA LYS A 39 23.733 28.544 8.241 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.299 29.951 10.315 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.075 30.722 8.946 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.036 31.860 8.329 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.101 30.939 9.490 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.423 33.035 10.519 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.577 31.979 11.310 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.397 32.816 9.874 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.265 33.783 8.948 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.401 35.123 10.619 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 22.740 35.051 10.966 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 23.837 34.115 11.863 1.00 25.00 H new ATOM 585 N GLU A 40 20.560 28.224 8.831 1.00 25.00 N ATOM 586 CA GLU A 40 19.571 27.327 9.427 1.00 25.00 C ATOM 587 C GLU A 40 19.593 25.932 8.779 1.00 25.00 C ATOM 588 O GLU A 40 19.670 24.916 9.461 1.00 25.00 O ATOM 589 CB GLU A 40 18.176 27.944 9.273 1.00 25.00 C ATOM 590 CG GLU A 40 17.933 29.152 10.185 1.00 25.00 C ATOM 591 CD GLU A 40 18.096 28.819 11.660 1.00 25.00 C ATOM 592 OE1 GLU A 40 17.400 27.904 12.151 1.00 25.00 O ATOM 593 OE2 GLU A 40 18.918 29.484 12.331 1.00 25.00 O ATOM 0 H GLU A 40 20.174 28.908 8.180 1.00 25.00 H new ATOM 0 HA GLU A 40 19.820 27.203 10.481 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.036 28.249 8.236 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.426 27.182 9.486 1.00 25.00 H new ATOM 0 HG2 GLU A 40 18.628 29.949 9.918 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.927 29.535 10.013 1.00 25.00 H new ATOM 600 N ARG A 41 19.508 25.883 7.455 1.00 25.00 N ATOM 601 CA ARG A 41 19.467 24.603 6.724 1.00 25.00 C ATOM 602 C ARG A 41 20.826 23.932 6.563 1.00 25.00 C ATOM 603 O ARG A 41 20.919 22.710 6.488 1.00 25.00 O ATOM 604 CB ARG A 41 18.890 24.828 5.322 1.00 25.00 C ATOM 605 CG ARG A 41 17.483 25.390 5.330 1.00 25.00 C ATOM 606 CD ARG A 41 16.916 25.481 3.911 1.00 25.00 C ATOM 607 NE ARG A 41 15.665 26.264 3.859 1.00 25.00 N ATOM 608 CZ ARG A 41 15.071 26.696 2.745 1.00 25.00 C ATOM 609 NH1 ARG A 41 15.556 26.462 1.550 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.971 27.388 2.836 1.00 25.00 N ATOM 0 H ARG A 41 19.466 26.709 6.858 1.00 25.00 H new ATOM 0 HA ARG A 41 18.843 23.943 7.327 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.542 25.509 4.775 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.892 23.882 4.781 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.839 24.758 5.942 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.486 26.379 5.787 1.00 25.00 H new ATOM 0 HD2 ARG A 41 17.656 25.938 3.254 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.730 24.477 3.531 1.00 25.00 H new ATOM 0 HE ARG A 41 15.219 26.493 4.747 1.00 25.00 H new ATOM 0 HH11 ARG A 41 16.420 25.931 1.445 1.00 25.00 H new ATOM 0 HH12 ARG A 41 15.069 26.811 0.725 1.00 25.00 H new ATOM 0 HH21 ARG A 41 13.573 27.594 3.752 1.00 25.00 H new ATOM 0 HH22 ARG A 41 13.508 27.723 1.991 1.00 25.00 H new ATOM 624 N ASN A 42 21.860 24.742 6.411 1.00 25.00 N ATOM 625 CA ASN A 42 23.217 24.250 6.114 1.00 25.00 C ATOM 626 C ASN A 42 24.341 24.990 6.862 1.00 25.00 C ATOM 627 O ASN A 42 25.134 25.715 6.242 1.00 25.00 O ATOM 628 CB ASN A 42 23.487 24.396 4.613 1.00 25.00 C ATOM 629 CG ASN A 42 24.614 23.519 4.142 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.345 22.946 4.923 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.754 23.411 2.859 1.00 25.00 N ATOM 0 H ASN A 42 21.795 25.757 6.487 1.00 25.00 H new ATOM 0 HA ASN A 42 23.234 23.212 6.447 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.582 24.148 4.059 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.723 25.436 4.389 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.498 22.829 2.474 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.120 23.908 2.233 1.00 25.00 H new ATOM 638 N PRO A 43 24.455 24.798 8.187 1.00 25.00 N ATOM 639 CA PRO A 43 25.531 25.541 8.864 1.00 25.00 C ATOM 640 C PRO A 43 26.982 25.395 8.328 1.00 25.00 C ATOM 641 O PRO A 43 27.697 26.396 8.292 1.00 25.00 O ATOM 642 CB PRO A 43 25.402 25.099 10.329 1.00 25.00 C ATOM 643 CG PRO A 43 24.597 23.838 10.299 1.00 25.00 C ATOM 644 CD PRO A 43 23.668 23.990 9.137 1.00 25.00 C ATOM 0 HA PRO A 43 25.388 26.607 8.685 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.382 24.928 10.775 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.909 25.865 10.928 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.238 22.965 10.178 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.045 23.702 11.229 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.391 23.025 8.713 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.743 24.490 9.423 1.00 25.00 H new ATOM 652 N PRO A 44 27.428 24.199 7.859 1.00 25.00 N ATOM 653 CA PRO A 44 28.810 24.270 7.350 1.00 25.00 C ATOM 654 C PRO A 44 29.010 25.056 6.035 1.00 25.00 C ATOM 655 O PRO A 44 30.076 25.631 5.825 1.00 25.00 O ATOM 656 CB PRO A 44 29.184 22.797 7.171 1.00 25.00 C ATOM 657 CG PRO A 44 27.916 22.138 6.867 1.00 25.00 C ATOM 658 CD PRO A 44 26.911 22.818 7.762 1.00 25.00 C ATOM 0 HA PRO A 44 29.438 24.829 8.044 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.905 22.665 6.364 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.638 22.389 8.074 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.652 22.252 5.816 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.967 21.068 7.069 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.909 22.792 7.335 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.853 22.340 8.740 1.00 25.00 H new ATOM 666 N LEU A 45 28.014 25.129 5.153 1.00 25.00 N ATOM 667 CA LEU A 45 28.173 25.975 3.961 1.00 25.00 C ATOM 668 C LEU A 45 28.018 27.420 4.393 1.00 25.00 C ATOM 669 O LEU A 45 28.657 28.323 3.855 1.00 25.00 O ATOM 670 CB LEU A 45 27.160 25.628 2.866 1.00 25.00 C ATOM 671 CG LEU A 45 27.226 26.442 1.550 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.610 26.451 0.897 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.229 25.854 0.551 1.00 25.00 C ATOM 0 H LEU A 45 27.123 24.638 5.229 1.00 25.00 H new ATOM 0 HA LEU A 45 29.160 25.804 3.530 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.282 24.574 2.616 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.160 25.743 3.284 1.00 25.00 H new ATOM 0 HG LEU A 45 26.987 27.473 1.813 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.576 27.041 -0.019 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.334 26.889 1.584 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.907 25.429 0.660 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.268 26.421 -0.379 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.484 24.813 0.352 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.223 25.908 0.966 1.00 25.00 H new ATOM 685 N ALA A 46 27.186 27.636 5.395 1.00 25.00 N ATOM 686 CA ALA A 46 26.975 28.975 5.898 1.00 25.00 C ATOM 687 C ALA A 46 28.228 29.564 6.524 1.00 25.00 C ATOM 688 O ALA A 46 28.584 30.665 6.187 1.00 25.00 O ATOM 689 CB ALA A 46 25.864 28.984 6.896 1.00 25.00 C ATOM 0 H ALA A 46 26.652 26.909 5.870 1.00 25.00 H new ATOM 0 HA ALA A 46 26.710 29.597 5.043 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.716 29.998 7.267 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.947 28.633 6.423 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.117 28.327 7.728 1.00 25.00 H new ATOM 695 N GLU A 47 28.902 28.849 7.417 1.00 25.00 N ATOM 696 CA GLU A 47 30.077 29.411 8.109 1.00 25.00 C ATOM 697 C GLU A 47 31.167 29.797 7.109 1.00 25.00 C ATOM 698 O GLU A 47 31.876 30.797 7.284 1.00 25.00 O ATOM 699 CB GLU A 47 30.619 28.446 9.177 1.00 25.00 C ATOM 700 CG GLU A 47 31.240 27.166 8.625 1.00 25.00 C ATOM 701 CD GLU A 47 31.716 26.218 9.713 1.00 25.00 C ATOM 702 OE1 GLU A 47 32.155 25.098 9.368 1.00 25.00 O ATOM 703 OE2 GLU A 47 31.686 26.595 10.904 1.00 25.00 O ATOM 0 H GLU A 47 28.667 27.893 7.683 1.00 25.00 H new ATOM 0 HA GLU A 47 29.755 30.317 8.623 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.367 28.969 9.773 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.805 28.177 9.851 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.508 26.654 8.000 1.00 25.00 H new ATOM 0 HG3 GLU A 47 32.082 27.425 7.983 1.00 25.00 H new ATOM 710 N ALA A 48 31.240 29.051 6.018 1.00 25.00 N ATOM 711 CA ALA A 48 32.125 29.365 4.934 1.00 25.00 C ATOM 712 C ALA A 48 31.766 30.694 4.288 1.00 25.00 C ATOM 713 O ALA A 48 32.632 31.525 4.019 1.00 25.00 O ATOM 714 CB ALA A 48 32.054 28.252 3.923 1.00 25.00 C ATOM 0 H ALA A 48 30.681 28.211 5.870 1.00 25.00 H new ATOM 0 HA ALA A 48 33.141 29.460 5.318 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.721 28.474 3.090 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.357 27.315 4.391 1.00 25.00 H new ATOM 0 HB3 ALA A 48 31.032 28.160 3.554 1.00 25.00 H new ATOM 720 N LEU A 49 30.478 30.885 4.061 1.00 25.00 N ATOM 721 CA LEU A 49 29.971 32.092 3.442 1.00 25.00 C ATOM 722 C LEU A 49 30.216 33.289 4.340 1.00 25.00 C ATOM 723 O LEU A 49 30.618 34.349 3.874 1.00 25.00 O ATOM 724 CB LEU A 49 28.464 31.921 3.194 1.00 25.00 C ATOM 725 CG LEU A 49 27.692 32.983 2.406 1.00 25.00 C ATOM 726 CD1 LEU A 49 27.269 34.169 3.233 1.00 25.00 C ATOM 727 CD2 LEU A 49 28.475 33.449 1.209 1.00 25.00 C ATOM 0 H LEU A 49 29.756 30.206 4.302 1.00 25.00 H new ATOM 0 HA LEU A 49 30.487 32.263 2.497 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.326 30.971 2.678 1.00 25.00 H new ATOM 0 HB3 LEU A 49 27.984 31.827 4.168 1.00 25.00 H new ATOM 0 HG LEU A 49 26.779 32.488 2.077 1.00 25.00 H new ATOM 0 HD11 LEU A 49 26.728 34.876 2.605 1.00 25.00 H new ATOM 0 HD12 LEU A 49 26.621 33.835 4.044 1.00 25.00 H new ATOM 0 HD13 LEU A 49 28.151 34.655 3.650 1.00 25.00 H new ATOM 0 HD21 LEU A 49 27.901 34.203 0.670 1.00 25.00 H new ATOM 0 HD22 LEU A 49 29.421 33.880 1.538 1.00 25.00 H new ATOM 0 HD23 LEU A 49 28.671 32.603 0.551 1.00 25.00 H new ATOM 739 N LEU A 50 29.977 33.111 5.633 1.00 25.00 N ATOM 740 CA LEU A 50 30.063 34.219 6.585 1.00 25.00 C ATOM 741 C LEU A 50 31.475 34.778 6.633 1.00 25.00 C ATOM 742 O LEU A 50 31.689 35.950 6.909 1.00 25.00 O ATOM 743 CB LEU A 50 29.695 33.774 8.013 1.00 25.00 C ATOM 744 CG LEU A 50 28.402 32.990 8.282 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.139 32.905 9.764 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.188 33.524 7.532 1.00 25.00 C ATOM 0 H LEU A 50 29.723 32.215 6.049 1.00 25.00 H new ATOM 0 HA LEU A 50 29.358 34.976 6.241 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.521 33.166 8.382 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.659 34.672 8.630 1.00 25.00 H new ATOM 0 HG LEU A 50 28.563 31.986 7.888 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.219 32.347 9.939 1.00 25.00 H new ATOM 0 HD12 LEU A 50 28.970 32.397 10.253 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.037 33.910 10.174 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.315 32.918 7.774 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.005 34.558 7.825 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.374 33.479 6.459 1.00 25.00 H new ATOM 758 N SER A 51 32.441 33.903 6.393 1.00 25.00 N ATOM 759 CA SER A 51 33.843 34.266 6.437 1.00 25.00 C ATOM 760 C SER A 51 34.280 35.065 5.209 1.00 25.00 C ATOM 761 O SER A 51 35.296 35.749 5.239 1.00 25.00 O ATOM 762 CB SER A 51 34.650 32.994 6.491 1.00 25.00 C ATOM 763 OG SER A 51 34.308 32.201 7.620 1.00 25.00 O ATOM 0 H SER A 51 32.271 32.924 6.163 1.00 25.00 H new ATOM 0 HA SER A 51 34.004 34.894 7.313 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.485 32.420 5.580 1.00 25.00 H new ATOM 0 HB3 SER A 51 35.712 33.238 6.526 1.00 25.00 H new ATOM 0 HG SER A 51 33.460 31.740 7.451 1.00 25.00 H new ATOM 769 N GLY A 52 33.541 34.930 4.116 1.00 25.00 N ATOM 770 CA GLY A 52 33.849 35.647 2.882 1.00 25.00 C ATOM 771 C GLY A 52 34.853 34.930 1.999 1.00 25.00 C ATOM 772 O GLY A 52 34.972 35.224 0.807 1.00 25.00 O ATOM 0 H GLY A 52 32.720 34.328 4.057 1.00 25.00 H new ATOM 0 HA2 GLY A 52 32.927 35.800 2.320 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.237 36.634 3.132 1.00 25.00 H new ATOM 776 N ASP A 53 35.570 33.980 2.580 1.00 25.00 N ATOM 777 CA ASP A 53 36.572 33.198 1.854 1.00 25.00 C ATOM 778 C ASP A 53 35.929 32.362 0.758 1.00 25.00 C ATOM 779 O ASP A 53 35.147 31.449 1.035 1.00 25.00 O ATOM 780 CB ASP A 53 37.274 32.230 2.788 1.00 25.00 C ATOM 781 CG ASP A 53 38.399 31.503 2.114 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.752 30.414 2.596 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.870 31.966 1.057 1.00 25.00 O ATOM 0 H ASP A 53 35.478 33.726 3.564 1.00 25.00 H new ATOM 0 HA ASP A 53 37.276 33.912 1.427 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.661 32.775 3.649 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.552 31.506 3.167 1.00 25.00 H new ATOM 788 N LEU A 54 36.282 32.633 -0.486 1.00 25.00 N ATOM 789 CA LEU A 54 35.759 31.844 -1.587 1.00 25.00 C ATOM 790 C LEU A 54 36.305 30.429 -1.511 1.00 25.00 C ATOM 791 O LEU A 54 35.601 29.490 -1.807 1.00 25.00 O ATOM 792 CB LEU A 54 36.134 32.475 -2.928 1.00 25.00 C ATOM 793 CG LEU A 54 35.564 31.836 -4.212 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.473 30.739 -4.779 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.129 31.307 -4.068 1.00 25.00 C ATOM 0 H LEU A 54 36.919 33.382 -0.757 1.00 25.00 H new ATOM 0 HA LEU A 54 34.672 31.817 -1.509 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.820 33.518 -2.906 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.221 32.471 -3.007 1.00 25.00 H new ATOM 0 HG LEU A 54 35.528 32.662 -4.923 1.00 25.00 H new ATOM 0 HD11 LEU A 54 36.023 30.324 -5.681 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.448 31.163 -5.021 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.595 29.949 -4.038 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.804 30.874 -5.014 1.00 25.00 H new ATOM 0 HD22 LEU A 54 34.099 30.544 -3.291 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.464 32.127 -3.797 1.00 25.00 H new ATOM 807 N GLU A 55 37.549 30.266 -1.104 1.00 25.00 N ATOM 808 CA GLU A 55 38.153 28.934 -1.058 1.00 25.00 C ATOM 809 C GLU A 55 37.362 28.005 -0.154 1.00 25.00 C ATOM 810 O GLU A 55 36.939 26.922 -0.568 1.00 25.00 O ATOM 811 CB GLU A 55 39.583 29.010 -0.541 1.00 25.00 C ATOM 812 CG GLU A 55 40.453 29.950 -1.312 1.00 25.00 C ATOM 813 CD GLU A 55 40.604 29.535 -2.768 1.00 25.00 C ATOM 814 OE1 GLU A 55 40.239 30.339 -3.656 1.00 25.00 O ATOM 815 OE2 GLU A 55 41.040 28.393 -3.028 1.00 25.00 O ATOM 0 H GLU A 55 38.161 31.024 -0.802 1.00 25.00 H new ATOM 0 HA GLU A 55 38.147 28.542 -2.075 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.566 29.320 0.504 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.024 28.014 -0.571 1.00 25.00 H new ATOM 0 HG2 GLU A 55 40.031 30.954 -1.265 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.437 29.996 -0.846 1.00 25.00 H new ATOM 822 N LYS A 56 37.126 28.436 1.078 1.00 25.00 N ATOM 823 CA LYS A 56 36.372 27.619 2.022 1.00 25.00 C ATOM 824 C LYS A 56 34.958 27.436 1.508 1.00 25.00 C ATOM 825 O LYS A 56 34.436 26.340 1.613 1.00 25.00 O ATOM 826 CB LYS A 56 36.431 28.168 3.471 1.00 25.00 C ATOM 827 CG LYS A 56 35.508 29.221 3.848 1.00 25.00 C ATOM 828 CD LYS A 56 36.015 29.930 5.118 1.00 25.00 C ATOM 829 CE LYS A 56 35.647 29.204 6.419 1.00 25.00 C ATOM 830 NZ LYS A 56 36.177 29.927 7.623 1.00 25.00 N ATOM 0 H LYS A 56 37.441 29.334 1.445 1.00 25.00 H new ATOM 0 HA LYS A 56 36.840 26.637 2.086 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.274 27.330 4.150 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.442 28.535 3.646 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.410 29.939 3.034 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.517 28.802 4.025 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.099 30.027 5.061 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.606 30.940 5.148 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.563 29.117 6.494 1.00 25.00 H new ATOM 0 HE3 LYS A 56 36.047 28.190 6.397 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 36.107 29.310 8.457 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.172 30.183 7.464 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.619 30.790 7.783 1.00 25.00 H new ATOM 844 N PHE A 57 34.372 28.465 0.898 1.00 25.00 N ATOM 845 CA PHE A 57 33.013 28.371 0.355 1.00 25.00 C ATOM 846 C PHE A 57 32.918 27.370 -0.792 1.00 25.00 C ATOM 847 O PHE A 57 32.080 26.494 -0.763 1.00 25.00 O ATOM 848 CB PHE A 57 32.524 29.750 -0.103 1.00 25.00 C ATOM 849 CG PHE A 57 31.087 29.765 -0.546 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.757 29.629 -1.907 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.051 29.920 0.394 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.403 29.641 -2.326 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.695 29.939 -0.018 1.00 25.00 C ATOM 854 CZ PHE A 57 28.377 29.794 -1.379 1.00 25.00 C ATOM 0 H PHE A 57 34.815 29.374 0.766 1.00 25.00 H new ATOM 0 HA PHE A 57 32.370 28.009 1.157 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.651 30.460 0.714 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.152 30.094 -0.925 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.543 29.514 -2.639 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.292 30.026 1.441 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.160 29.533 -3.373 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.909 30.065 0.712 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.345 29.800 -1.697 1.00 25.00 H new ATOM 864 N SER A 58 33.795 27.474 -1.775 1.00 25.00 N ATOM 865 CA SER A 58 33.811 26.568 -2.921 1.00 25.00 C ATOM 866 C SER A 58 34.077 25.131 -2.493 1.00 25.00 C ATOM 867 O SER A 58 33.467 24.186 -2.999 1.00 25.00 O ATOM 868 CB SER A 58 34.912 27.007 -3.891 1.00 25.00 C ATOM 869 OG SER A 58 34.937 26.185 -5.043 1.00 25.00 O ATOM 0 H SER A 58 34.521 28.190 -1.805 1.00 25.00 H new ATOM 0 HA SER A 58 32.833 26.609 -3.400 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.749 28.044 -4.185 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.879 26.965 -3.390 1.00 25.00 H new ATOM 0 HG SER A 58 35.648 26.488 -5.646 1.00 25.00 H new ATOM 875 N ARG A 59 34.980 24.965 -1.539 1.00 25.00 N ATOM 876 CA ARG A 59 35.351 23.629 -1.082 1.00 25.00 C ATOM 877 C ARG A 59 34.173 22.979 -0.394 1.00 25.00 C ATOM 878 O ARG A 59 33.849 21.835 -0.662 1.00 25.00 O ATOM 879 CB ARG A 59 36.548 23.699 -0.127 1.00 25.00 C ATOM 880 CG ARG A 59 36.966 22.328 0.435 1.00 25.00 C ATOM 881 CD ARG A 59 36.581 22.186 1.908 1.00 25.00 C ATOM 882 NE ARG A 59 36.415 20.775 2.307 1.00 25.00 N ATOM 883 CZ ARG A 59 36.379 20.332 3.559 1.00 25.00 C ATOM 884 NH1 ARG A 59 36.519 21.131 4.590 1.00 25.00 N ATOM 885 NH2 ARG A 59 36.195 19.064 3.781 1.00 25.00 N ATOM 0 H ARG A 59 35.467 25.728 -1.069 1.00 25.00 H new ATOM 0 HA ARG A 59 35.637 23.030 -1.946 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.395 24.142 -0.651 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.303 24.363 0.702 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.491 21.536 -0.144 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.043 22.202 0.325 1.00 25.00 H new ATOM 0 HD2 ARG A 59 37.348 22.650 2.529 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.652 22.726 2.093 1.00 25.00 H new ATOM 0 HE ARG A 59 36.320 20.085 1.562 1.00 25.00 H new ATOM 0 HH11 ARG A 59 36.661 22.131 4.445 1.00 25.00 H new ATOM 0 HH12 ARG A 59 36.485 20.753 5.537 1.00 25.00 H new ATOM 0 HH21 ARG A 59 36.080 18.421 2.998 1.00 25.00 H new ATOM 0 HH22 ARG A 59 36.166 18.713 4.738 1.00 25.00 H new ATOM 899 N VAL A 60 33.523 23.701 0.498 1.00 25.00 N ATOM 900 CA VAL A 60 32.404 23.127 1.224 1.00 25.00 C ATOM 901 C VAL A 60 31.225 22.958 0.255 1.00 25.00 C ATOM 902 O VAL A 60 30.436 22.040 0.408 1.00 25.00 O ATOM 903 CB VAL A 60 32.058 23.941 2.519 1.00 25.00 C ATOM 904 CG1 VAL A 60 31.503 25.251 2.209 1.00 25.00 C ATOM 905 CG2 VAL A 60 31.115 23.146 3.425 1.00 25.00 C ATOM 0 H VAL A 60 33.744 24.668 0.735 1.00 25.00 H new ATOM 0 HA VAL A 60 32.672 22.139 1.599 1.00 25.00 H new ATOM 0 HB VAL A 60 32.992 24.108 3.056 1.00 25.00 H new ATOM 0 HG11 VAL A 60 31.278 25.779 3.135 1.00 25.00 H new ATOM 0 HG12 VAL A 60 32.227 25.825 1.630 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.588 25.131 1.629 1.00 25.00 H new ATOM 0 HG21 VAL A 60 30.889 23.730 4.317 1.00 25.00 H new ATOM 0 HG22 VAL A 60 30.191 22.930 2.889 1.00 25.00 H new ATOM 0 HG23 VAL A 60 31.593 22.210 3.716 1.00 25.00 H new ATOM 915 N LEU A 61 31.116 23.824 -0.749 1.00 25.00 N ATOM 916 CA LEU A 61 30.025 23.750 -1.724 1.00 25.00 C ATOM 917 C LEU A 61 29.997 22.406 -2.442 1.00 25.00 C ATOM 918 O LEU A 61 28.948 21.781 -2.540 1.00 25.00 O ATOM 919 CB LEU A 61 30.171 24.869 -2.770 1.00 25.00 C ATOM 920 CG LEU A 61 28.964 25.117 -3.688 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.158 26.258 -3.136 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.366 25.483 -5.112 1.00 25.00 C ATOM 0 H LEU A 61 31.771 24.589 -0.911 1.00 25.00 H new ATOM 0 HA LEU A 61 29.092 23.868 -1.173 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.396 25.798 -2.246 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.033 24.639 -3.396 1.00 25.00 H new ATOM 0 HG LEU A 61 28.396 24.188 -3.722 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.299 26.442 -3.781 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.812 26.007 -2.133 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.778 27.154 -3.093 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.471 25.646 -5.712 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.965 26.394 -5.098 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.950 24.671 -5.545 1.00 25.00 H new ATOM 934 N VAL A 62 31.140 21.944 -2.932 1.00 25.00 N ATOM 935 CA VAL A 62 31.167 20.674 -3.665 1.00 25.00 C ATOM 936 C VAL A 62 30.972 19.495 -2.710 1.00 25.00 C ATOM 937 O VAL A 62 30.290 18.528 -3.039 1.00 25.00 O ATOM 938 CB VAL A 62 32.461 20.520 -4.536 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.740 20.456 -3.687 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.360 19.281 -5.431 1.00 25.00 C ATOM 0 H VAL A 62 32.042 22.411 -2.842 1.00 25.00 H new ATOM 0 HA VAL A 62 30.331 20.678 -4.364 1.00 25.00 H new ATOM 0 HB VAL A 62 32.531 21.413 -5.158 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.606 20.349 -4.341 1.00 25.00 H new ATOM 0 HG12 VAL A 62 33.836 21.372 -3.104 1.00 25.00 H new ATOM 0 HG13 VAL A 62 33.687 19.601 -3.013 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.267 19.189 -6.029 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.243 18.393 -4.811 1.00 25.00 H new ATOM 0 HG23 VAL A 62 31.498 19.378 -6.091 1.00 25.00 H new ATOM 950 N GLU A 63 31.502 19.600 -1.503 1.00 25.00 N ATOM 951 CA GLU A 63 31.332 18.546 -0.498 1.00 25.00 C ATOM 952 C GLU A 63 29.847 18.412 -0.157 1.00 25.00 C ATOM 953 O GLU A 63 29.304 17.311 -0.052 1.00 25.00 O ATOM 954 CB GLU A 63 32.131 18.884 0.767 1.00 25.00 C ATOM 955 CG GLU A 63 33.641 18.963 0.543 1.00 25.00 C ATOM 956 CD GLU A 63 34.348 17.642 0.743 1.00 25.00 C ATOM 957 OE1 GLU A 63 34.026 16.667 0.037 1.00 25.00 O ATOM 958 OE2 GLU A 63 35.266 17.598 1.595 1.00 25.00 O ATOM 0 H GLU A 63 32.053 20.399 -1.189 1.00 25.00 H new ATOM 0 HA GLU A 63 31.702 17.603 -0.899 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.782 19.838 1.161 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.925 18.130 1.527 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.832 19.319 -0.469 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.064 19.700 1.226 1.00 25.00 H new