USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 475 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 34 MET CE :methyl 141:sc= -2.95 (180deg=-1.66) USER MOD Set 1.2: A 36 GLN : amide:sc= -0.625 K(o=-2.3,f=-2.8) USER MOD Set 1.3: A 37 TYR OH : rot -163:sc= 1.3 USER MOD Set 1.4: A 70 HIS : no HD1:sc= 0.0108 K(o=-2.3,f=-8.7) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.179 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.17 USER MOD Set 3.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.0033) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00303 USER MOD Single : A 54 GLN : amide:sc=-0.00998 K(o=-0.01,f=-0.9) USER MOD Single : A 55 MET CE :methyl -122:sc= -0.211 (180deg=-1.71) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.633 F(o=-1.2,f=-0.63) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.943 X(o=-0.94,f=-1.4) USER MOD Single : A 77 SER OG : rot 140:sc= 0.453 USER MOD Single : A 79 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.00086) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -159:sc= -0.059 (180deg=-0.619) USER MOD ----------------------------------------------------------------- ATOM 330 N VAL A 25 28.962 -24.995 27.277 1.00 0.00 N ATOM 331 CA VAL A 25 27.757 -24.224 26.995 1.00 0.00 C ATOM 332 C VAL A 25 28.087 -22.951 26.224 1.00 0.00 C ATOM 333 O VAL A 25 27.469 -22.655 25.201 1.00 0.00 O ATOM 334 CB VAL A 25 27.015 -23.849 28.291 1.00 0.00 C ATOM 335 CG1 VAL A 25 25.719 -23.118 27.973 1.00 0.00 C ATOM 336 CG2 VAL A 25 26.744 -25.090 29.128 1.00 0.00 C ATOM 0 HA VAL A 25 27.111 -24.857 26.386 1.00 0.00 H new ATOM 0 HB VAL A 25 27.650 -23.179 28.871 1.00 0.00 H new ATOM 0 HG11 VAL A 25 25.209 -22.861 28.901 1.00 0.00 H new ATOM 0 HG12 VAL A 25 25.942 -22.207 27.418 1.00 0.00 H new ATOM 0 HG13 VAL A 25 25.076 -23.761 27.372 1.00 0.00 H new ATOM 0 HG21 VAL A 25 26.219 -24.806 30.040 1.00 0.00 H new ATOM 0 HG22 VAL A 25 26.130 -25.787 28.558 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.689 -25.568 29.387 1.00 0.00 H new ATOM 346 N ASP A 26 29.064 -22.201 26.722 1.00 0.00 N ATOM 347 CA ASP A 26 29.477 -20.959 26.079 1.00 0.00 C ATOM 348 C ASP A 26 29.816 -21.194 24.610 1.00 0.00 C ATOM 349 O ASP A 26 29.638 -20.309 23.773 1.00 0.00 O ATOM 350 CB ASP A 26 30.684 -20.362 26.804 1.00 0.00 C ATOM 351 CG ASP A 26 30.464 -20.250 28.300 1.00 0.00 C ATOM 352 OD1 ASP A 26 29.336 -19.905 28.708 1.00 0.00 O ATOM 353 OD2 ASP A 26 31.420 -20.506 29.061 1.00 0.00 O ATOM 0 H ASP A 26 29.584 -22.431 27.568 1.00 0.00 H new ATOM 0 HA ASP A 26 28.645 -20.256 26.134 1.00 0.00 H new ATOM 0 HB2 ASP A 26 31.561 -20.981 26.614 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.897 -19.374 26.396 1.00 0.00 H new ATOM 358 N ASP A 27 30.304 -22.391 24.305 1.00 0.00 N ATOM 359 CA ASP A 27 30.668 -22.743 22.937 1.00 0.00 C ATOM 360 C ASP A 27 29.438 -23.169 22.141 1.00 0.00 C ATOM 361 O ASP A 27 29.191 -22.664 21.045 1.00 0.00 O ATOM 362 CB ASP A 27 31.706 -23.866 22.935 1.00 0.00 C ATOM 363 CG ASP A 27 33.127 -23.340 22.892 1.00 0.00 C ATOM 364 OD1 ASP A 27 33.562 -22.893 21.810 1.00 0.00 O ATOM 365 OD2 ASP A 27 33.804 -23.375 23.941 1.00 0.00 O ATOM 0 H ASP A 27 30.457 -23.134 24.986 1.00 0.00 H new ATOM 0 HA ASP A 27 31.099 -21.861 22.463 1.00 0.00 H new ATOM 0 HB2 ASP A 27 31.575 -24.479 23.827 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.535 -24.513 22.075 1.00 0.00 H new ATOM 370 N TRP A 28 28.673 -24.100 22.698 1.00 0.00 N ATOM 371 CA TRP A 28 27.469 -24.595 22.038 1.00 0.00 C ATOM 372 C TRP A 28 26.542 -23.444 21.664 1.00 0.00 C ATOM 373 O TRP A 28 26.158 -23.296 20.502 1.00 0.00 O ATOM 374 CB TRP A 28 26.735 -25.583 22.946 1.00 0.00 C ATOM 375 CG TRP A 28 25.325 -25.850 22.515 1.00 0.00 C ATOM 376 CD1 TRP A 28 24.905 -26.227 21.271 1.00 0.00 C ATOM 377 CD2 TRP A 28 24.149 -25.760 23.327 1.00 0.00 C ATOM 378 NE1 TRP A 28 23.539 -26.376 21.260 1.00 0.00 N ATOM 379 CE2 TRP A 28 23.052 -26.096 22.509 1.00 0.00 C ATOM 380 CE3 TRP A 28 23.915 -25.430 24.664 1.00 0.00 C ATOM 381 CZ2 TRP A 28 21.744 -26.110 22.987 1.00 0.00 C ATOM 382 CZ3 TRP A 28 22.617 -25.443 25.137 1.00 0.00 C ATOM 383 CH2 TRP A 28 21.545 -25.782 24.301 1.00 0.00 C ATOM 0 H TRP A 28 28.864 -24.528 23.604 1.00 0.00 H new ATOM 0 HA TRP A 28 27.769 -25.107 21.124 1.00 0.00 H new ATOM 0 HB2 TRP A 28 27.285 -26.524 22.967 1.00 0.00 H new ATOM 0 HB3 TRP A 28 26.729 -25.194 23.964 1.00 0.00 H new ATOM 0 HD1 TRP A 28 25.552 -26.385 20.421 1.00 0.00 H new ATOM 0 HE1 TRP A 28 22.979 -26.650 20.453 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.735 -25.169 25.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 20.916 -26.370 22.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.425 -25.188 26.169 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.542 -25.785 24.701 1.00 0.00 H new ATOM 394 N LEU A 29 26.185 -22.631 22.652 1.00 0.00 N ATOM 395 CA LEU A 29 25.302 -21.492 22.425 1.00 0.00 C ATOM 396 C LEU A 29 25.862 -20.577 21.341 1.00 0.00 C ATOM 397 O LEU A 29 25.113 -20.014 20.542 1.00 0.00 O ATOM 398 CB LEU A 29 25.108 -20.706 23.723 1.00 0.00 C ATOM 399 CG LEU A 29 24.359 -21.431 24.842 1.00 0.00 C ATOM 400 CD1 LEU A 29 24.216 -20.530 26.059 1.00 0.00 C ATOM 401 CD2 LEU A 29 22.994 -21.894 24.356 1.00 0.00 C ATOM 0 H LEU A 29 26.493 -22.739 23.618 1.00 0.00 H new ATOM 0 HA LEU A 29 24.337 -21.872 22.090 1.00 0.00 H new ATOM 0 HB2 LEU A 29 26.089 -20.416 24.099 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.571 -19.786 23.490 1.00 0.00 H new ATOM 0 HG LEU A 29 24.937 -22.309 25.131 1.00 0.00 H new ATOM 0 HD11 LEU A 29 23.681 -21.063 26.845 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.205 -20.247 26.421 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.660 -19.633 25.785 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.475 -22.408 25.165 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.408 -21.031 24.040 1.00 0.00 H new ATOM 0 HD23 LEU A 29 23.119 -22.576 23.515 1.00 0.00 H new ATOM 413 N SER A 30 27.183 -20.434 21.318 1.00 0.00 N ATOM 414 CA SER A 30 27.843 -19.586 20.333 1.00 0.00 C ATOM 415 C SER A 30 27.757 -20.203 18.940 1.00 0.00 C ATOM 416 O SER A 30 27.953 -19.521 17.934 1.00 0.00 O ATOM 417 CB SER A 30 29.308 -19.368 20.716 1.00 0.00 C ATOM 418 OG SER A 30 29.852 -18.249 20.037 1.00 0.00 O ATOM 0 H SER A 30 27.817 -20.895 21.971 1.00 0.00 H new ATOM 0 HA SER A 30 27.331 -18.624 20.318 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.387 -19.218 21.793 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.887 -20.260 20.475 1.00 0.00 H new ATOM 0 HG SER A 30 30.788 -18.130 20.300 1.00 0.00 H new ATOM 424 N ALA A 31 27.461 -21.497 18.890 1.00 0.00 N ATOM 425 CA ALA A 31 27.345 -22.206 17.622 1.00 0.00 C ATOM 426 C ALA A 31 25.918 -22.151 17.090 1.00 0.00 C ATOM 427 O ALA A 31 25.649 -22.568 15.963 1.00 0.00 O ATOM 428 CB ALA A 31 27.795 -23.651 17.783 1.00 0.00 C ATOM 0 H ALA A 31 27.297 -22.076 19.713 1.00 0.00 H new ATOM 0 HA ALA A 31 27.993 -21.713 16.898 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.703 -24.169 16.828 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.835 -23.674 18.110 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.170 -24.146 18.526 1.00 0.00 H new ATOM 434 N ILE A 32 25.006 -21.633 17.906 1.00 0.00 N ATOM 435 CA ILE A 32 23.606 -21.523 17.516 1.00 0.00 C ATOM 436 C ILE A 32 23.127 -20.077 17.591 1.00 0.00 C ATOM 437 O ILE A 32 21.930 -19.803 17.504 1.00 0.00 O ATOM 438 CB ILE A 32 22.703 -22.398 18.406 1.00 0.00 C ATOM 439 CG1 ILE A 32 23.040 -22.181 19.882 1.00 0.00 C ATOM 440 CG2 ILE A 32 22.854 -23.865 18.033 1.00 0.00 C ATOM 441 CD1 ILE A 32 22.188 -23.002 20.824 1.00 0.00 C ATOM 0 H ILE A 32 25.212 -21.283 18.842 1.00 0.00 H new ATOM 0 HA ILE A 32 23.537 -21.874 16.486 1.00 0.00 H new ATOM 0 HB ILE A 32 21.665 -22.106 18.243 1.00 0.00 H new ATOM 0 HG12 ILE A 32 24.089 -22.427 20.047 1.00 0.00 H new ATOM 0 HG13 ILE A 32 22.918 -21.125 20.122 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.210 -24.471 18.670 1.00 0.00 H new ATOM 0 HG22 ILE A 32 22.569 -24.006 16.990 1.00 0.00 H new ATOM 0 HG23 ILE A 32 23.891 -24.170 18.171 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.483 -22.797 21.853 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.139 -22.740 20.688 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.328 -24.062 20.611 1.00 0.00 H new ATOM 453 N LYS A 33 24.070 -19.155 17.751 1.00 0.00 N ATOM 454 CA LYS A 33 23.746 -17.736 17.835 1.00 0.00 C ATOM 455 C LYS A 33 22.968 -17.429 19.110 1.00 0.00 C ATOM 456 O LYS A 33 22.402 -16.346 19.258 1.00 0.00 O ATOM 457 CB LYS A 33 22.932 -17.304 16.612 1.00 0.00 C ATOM 458 CG LYS A 33 23.466 -17.856 15.301 1.00 0.00 C ATOM 459 CD LYS A 33 23.570 -16.772 14.242 1.00 0.00 C ATOM 460 CE LYS A 33 22.332 -16.734 13.359 1.00 0.00 C ATOM 461 NZ LYS A 33 22.644 -17.095 11.949 1.00 0.00 N ATOM 0 H LYS A 33 25.065 -19.365 17.825 1.00 0.00 H new ATOM 0 HA LYS A 33 24.681 -17.177 17.858 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.899 -17.629 16.740 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.920 -16.215 16.560 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.447 -18.301 15.465 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.811 -18.651 14.946 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.705 -15.803 14.723 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.452 -16.947 13.626 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.584 -17.422 13.753 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.895 -15.736 13.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.774 -17.057 11.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.339 -16.423 11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.038 -18.057 11.916 1.00 0.00 H new ATOM 475 N MET A 34 22.944 -18.389 20.029 1.00 0.00 N ATOM 476 CA MET A 34 22.238 -18.220 21.293 1.00 0.00 C ATOM 477 C MET A 34 23.218 -17.980 22.437 1.00 0.00 C ATOM 478 O MET A 34 22.901 -18.222 23.601 1.00 0.00 O ATOM 479 CB MET A 34 21.379 -19.451 21.591 1.00 0.00 C ATOM 480 CG MET A 34 20.461 -19.844 20.445 1.00 0.00 C ATOM 481 SD MET A 34 19.364 -18.504 19.944 1.00 0.00 S ATOM 482 CE MET A 34 18.246 -18.441 21.343 1.00 0.00 C ATOM 0 H MET A 34 23.406 -19.292 19.921 1.00 0.00 H new ATOM 0 HA MET A 34 21.591 -17.347 21.204 1.00 0.00 H new ATOM 0 HB2 MET A 34 22.032 -20.291 21.827 1.00 0.00 H new ATOM 0 HB3 MET A 34 20.776 -19.257 22.478 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.064 -20.153 19.591 1.00 0.00 H new ATOM 0 HG3 MET A 34 19.863 -20.706 20.742 1.00 0.00 H new ATOM 0 HE1 MET A 34 18.009 -17.402 21.572 1.00 0.00 H new ATOM 0 HE2 MET A 34 17.329 -18.978 21.100 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.720 -18.905 22.208 1.00 0.00 H new ATOM 492 N VAL A 35 24.412 -17.503 22.097 1.00 0.00 N ATOM 493 CA VAL A 35 25.439 -17.230 23.095 1.00 0.00 C ATOM 494 C VAL A 35 24.944 -16.229 24.133 1.00 0.00 C ATOM 495 O VAL A 35 25.466 -16.165 25.245 1.00 0.00 O ATOM 496 CB VAL A 35 26.724 -16.685 22.444 1.00 0.00 C ATOM 497 CG1 VAL A 35 26.676 -15.167 22.357 1.00 0.00 C ATOM 498 CG2 VAL A 35 27.949 -17.145 23.219 1.00 0.00 C ATOM 0 H VAL A 35 24.691 -17.298 21.138 1.00 0.00 H new ATOM 0 HA VAL A 35 25.663 -18.177 23.586 1.00 0.00 H new ATOM 0 HB VAL A 35 26.794 -17.080 21.431 1.00 0.00 H new ATOM 0 HG11 VAL A 35 27.592 -14.800 21.894 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.819 -14.864 21.755 1.00 0.00 H new ATOM 0 HG13 VAL A 35 26.582 -14.748 23.359 1.00 0.00 H new ATOM 0 HG21 VAL A 35 28.848 -16.751 22.745 1.00 0.00 H new ATOM 0 HG22 VAL A 35 27.889 -16.780 24.244 1.00 0.00 H new ATOM 0 HG23 VAL A 35 27.989 -18.234 23.223 1.00 0.00 H new ATOM 508 N GLN A 36 23.933 -15.450 23.761 1.00 0.00 N ATOM 509 CA GLN A 36 23.367 -14.452 24.660 1.00 0.00 C ATOM 510 C GLN A 36 22.921 -15.090 25.972 1.00 0.00 C ATOM 511 O GLN A 36 22.861 -14.428 27.007 1.00 0.00 O ATOM 512 CB GLN A 36 22.184 -13.747 23.995 1.00 0.00 C ATOM 513 CG GLN A 36 20.995 -14.660 23.742 1.00 0.00 C ATOM 514 CD GLN A 36 19.896 -13.981 22.949 1.00 0.00 C ATOM 515 OE1 GLN A 36 19.781 -12.755 22.950 1.00 0.00 O ATOM 516 NE2 GLN A 36 19.081 -14.776 22.266 1.00 0.00 N ATOM 0 H GLN A 36 23.489 -15.491 22.843 1.00 0.00 H new ATOM 0 HA GLN A 36 24.142 -13.718 24.879 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.866 -12.916 24.625 1.00 0.00 H new ATOM 0 HB3 GLN A 36 22.512 -13.321 23.047 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.331 -15.547 23.205 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.593 -14.999 24.697 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.213 -15.787 22.294 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.323 -14.376 21.713 1.00 0.00 H new ATOM 525 N TYR A 37 22.610 -16.381 25.919 1.00 0.00 N ATOM 526 CA TYR A 37 22.167 -17.108 27.102 1.00 0.00 C ATOM 527 C TYR A 37 23.310 -17.920 27.704 1.00 0.00 C ATOM 528 O TYR A 37 23.088 -18.946 28.346 1.00 0.00 O ATOM 529 CB TYR A 37 21.000 -18.034 26.751 1.00 0.00 C ATOM 530 CG TYR A 37 19.780 -17.302 26.239 1.00 0.00 C ATOM 531 CD1 TYR A 37 19.065 -16.443 27.065 1.00 0.00 C ATOM 532 CD2 TYR A 37 19.342 -17.470 24.932 1.00 0.00 C ATOM 533 CE1 TYR A 37 17.948 -15.773 26.602 1.00 0.00 C ATOM 534 CE2 TYR A 37 18.228 -16.803 24.460 1.00 0.00 C ATOM 535 CZ TYR A 37 17.534 -15.956 25.299 1.00 0.00 C ATOM 536 OH TYR A 37 16.423 -15.290 24.834 1.00 0.00 O ATOM 0 H TYR A 37 22.657 -16.944 25.070 1.00 0.00 H new ATOM 0 HA TYR A 37 21.835 -16.379 27.841 1.00 0.00 H new ATOM 0 HB2 TYR A 37 21.328 -18.748 25.996 1.00 0.00 H new ATOM 0 HB3 TYR A 37 20.724 -18.609 27.635 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.387 -16.297 28.085 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.882 -18.134 24.273 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.402 -15.110 27.257 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.902 -16.944 23.440 1.00 0.00 H new ATOM 0 HH TYR A 37 16.106 -15.717 24.011 1.00 0.00 H new ATOM 546 N ARG A 38 24.535 -17.451 27.490 1.00 0.00 N ATOM 547 CA ARG A 38 25.715 -18.132 28.009 1.00 0.00 C ATOM 548 C ARG A 38 25.815 -17.968 29.523 1.00 0.00 C ATOM 549 O ARG A 38 26.408 -18.801 30.210 1.00 0.00 O ATOM 550 CB ARG A 38 26.980 -17.587 27.343 1.00 0.00 C ATOM 551 CG ARG A 38 27.272 -16.135 27.686 1.00 0.00 C ATOM 552 CD ARG A 38 28.701 -15.756 27.331 1.00 0.00 C ATOM 553 NE ARG A 38 28.798 -15.180 25.992 1.00 0.00 N ATOM 554 CZ ARG A 38 28.515 -13.912 25.715 1.00 0.00 C ATOM 555 NH1 ARG A 38 28.120 -13.092 26.678 1.00 0.00 N ATOM 556 NH2 ARG A 38 28.627 -13.463 24.471 1.00 0.00 N ATOM 0 H ARG A 38 24.736 -16.602 26.961 1.00 0.00 H new ATOM 0 HA ARG A 38 25.620 -19.193 27.780 1.00 0.00 H new ATOM 0 HB2 ARG A 38 27.830 -18.200 27.641 1.00 0.00 H new ATOM 0 HB3 ARG A 38 26.881 -17.683 26.262 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.579 -15.487 27.150 1.00 0.00 H new ATOM 0 HG3 ARG A 38 27.104 -15.971 28.750 1.00 0.00 H new ATOM 0 HD2 ARG A 38 29.078 -15.041 28.062 1.00 0.00 H new ATOM 0 HD3 ARG A 38 29.336 -16.640 27.392 1.00 0.00 H new ATOM 0 HE ARG A 38 29.100 -15.785 25.228 1.00 0.00 H new ATOM 0 HH11 ARG A 38 28.033 -13.434 27.635 1.00 0.00 H new ATOM 0 HH12 ARG A 38 27.903 -12.119 26.462 1.00 0.00 H new ATOM 0 HH21 ARG A 38 28.930 -14.092 23.727 1.00 0.00 H new ATOM 0 HH22 ARG A 38 28.410 -12.489 24.259 1.00 0.00 H new ATOM 570 N ASP A 39 25.232 -16.891 30.036 1.00 0.00 N ATOM 571 CA ASP A 39 25.254 -16.618 31.469 1.00 0.00 C ATOM 572 C ASP A 39 24.070 -17.280 32.166 1.00 0.00 C ATOM 573 O ASP A 39 24.149 -17.636 33.342 1.00 0.00 O ATOM 574 CB ASP A 39 25.233 -15.110 31.723 1.00 0.00 C ATOM 575 CG ASP A 39 26.620 -14.543 31.956 1.00 0.00 C ATOM 576 OD1 ASP A 39 27.565 -14.988 31.271 1.00 0.00 O ATOM 577 OD2 ASP A 39 26.761 -13.656 32.823 1.00 0.00 O ATOM 0 H ASP A 39 24.738 -16.192 29.481 1.00 0.00 H new ATOM 0 HA ASP A 39 26.174 -17.035 31.879 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.777 -14.607 30.870 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.607 -14.899 32.590 1.00 0.00 H new ATOM 582 N SER A 40 22.972 -17.440 31.434 1.00 0.00 N ATOM 583 CA SER A 40 21.769 -18.055 31.984 1.00 0.00 C ATOM 584 C SER A 40 22.038 -19.498 32.399 1.00 0.00 C ATOM 585 O SER A 40 21.617 -19.937 33.470 1.00 0.00 O ATOM 586 CB SER A 40 20.634 -18.010 30.959 1.00 0.00 C ATOM 587 OG SER A 40 19.640 -17.074 31.339 1.00 0.00 O ATOM 0 H SER A 40 22.890 -17.152 30.459 1.00 0.00 H new ATOM 0 HA SER A 40 21.473 -17.490 32.868 1.00 0.00 H new ATOM 0 HB2 SER A 40 21.034 -17.743 29.981 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.188 -19.000 30.862 1.00 0.00 H new ATOM 0 HG SER A 40 18.927 -17.063 30.667 1.00 0.00 H new ATOM 593 N PHE A 41 22.743 -20.232 31.544 1.00 0.00 N ATOM 594 CA PHE A 41 23.068 -21.626 31.821 1.00 0.00 C ATOM 595 C PHE A 41 24.206 -21.729 32.832 1.00 0.00 C ATOM 596 O PHE A 41 24.185 -22.580 33.723 1.00 0.00 O ATOM 597 CB PHE A 41 23.452 -22.348 30.528 1.00 0.00 C ATOM 598 CG PHE A 41 22.280 -22.652 29.639 1.00 0.00 C ATOM 599 CD1 PHE A 41 21.350 -23.613 30.001 1.00 0.00 C ATOM 600 CD2 PHE A 41 22.108 -21.976 28.442 1.00 0.00 C ATOM 601 CE1 PHE A 41 20.271 -23.894 29.185 1.00 0.00 C ATOM 602 CE2 PHE A 41 21.031 -22.253 27.622 1.00 0.00 C ATOM 603 CZ PHE A 41 20.110 -23.213 27.994 1.00 0.00 C ATOM 0 H PHE A 41 23.100 -19.884 30.654 1.00 0.00 H new ATOM 0 HA PHE A 41 22.184 -22.102 32.246 1.00 0.00 H new ATOM 0 HB2 PHE A 41 24.166 -21.735 29.978 1.00 0.00 H new ATOM 0 HB3 PHE A 41 23.959 -23.280 30.779 1.00 0.00 H new ATOM 0 HD1 PHE A 41 21.470 -24.148 30.931 1.00 0.00 H new ATOM 0 HD2 PHE A 41 22.824 -21.224 28.146 1.00 0.00 H new ATOM 0 HE1 PHE A 41 19.554 -24.646 29.478 1.00 0.00 H new ATOM 0 HE2 PHE A 41 20.909 -21.719 26.691 1.00 0.00 H new ATOM 0 HZ PHE A 41 19.267 -23.430 27.356 1.00 0.00 H new ATOM 613 N LEU A 42 25.198 -20.858 32.688 1.00 0.00 N ATOM 614 CA LEU A 42 26.346 -20.850 33.588 1.00 0.00 C ATOM 615 C LEU A 42 25.903 -20.653 35.034 1.00 0.00 C ATOM 616 O LEU A 42 26.182 -21.484 35.899 1.00 0.00 O ATOM 617 CB LEU A 42 27.325 -19.745 33.187 1.00 0.00 C ATOM 618 CG LEU A 42 28.295 -20.085 32.055 1.00 0.00 C ATOM 619 CD1 LEU A 42 28.983 -18.828 31.546 1.00 0.00 C ATOM 620 CD2 LEU A 42 29.322 -21.106 32.521 1.00 0.00 C ATOM 0 H LEU A 42 25.231 -20.148 31.957 1.00 0.00 H new ATOM 0 HA LEU A 42 26.845 -21.816 33.509 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.750 -18.867 32.894 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.907 -19.466 34.066 1.00 0.00 H new ATOM 0 HG LEU A 42 27.726 -20.521 31.234 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.669 -19.090 30.741 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.234 -18.130 31.172 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.539 -18.363 32.360 1.00 0.00 H new ATOM 0 HD21 LEU A 42 30.004 -21.336 31.702 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.886 -20.698 33.359 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.813 -22.017 32.836 1.00 0.00 H new ATOM 632 N THR A 43 25.209 -19.549 35.290 1.00 0.00 N ATOM 633 CA THR A 43 24.726 -19.243 36.630 1.00 0.00 C ATOM 634 C THR A 43 23.724 -20.289 37.106 1.00 0.00 C ATOM 635 O THR A 43 23.623 -20.567 38.300 1.00 0.00 O ATOM 636 CB THR A 43 24.064 -17.853 36.686 1.00 0.00 C ATOM 637 OG1 THR A 43 23.795 -17.492 38.045 1.00 0.00 O ATOM 638 CG2 THR A 43 22.769 -17.838 35.886 1.00 0.00 C ATOM 0 H THR A 43 24.969 -18.851 34.586 1.00 0.00 H new ATOM 0 HA THR A 43 25.595 -19.250 37.287 1.00 0.00 H new ATOM 0 HB THR A 43 24.752 -17.130 36.248 1.00 0.00 H new ATOM 0 HG1 THR A 43 23.376 -16.607 38.071 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.319 -16.847 35.940 1.00 0.00 H new ATOM 0 HG22 THR A 43 22.981 -18.084 34.846 1.00 0.00 H new ATOM 0 HG23 THR A 43 22.078 -18.573 36.299 1.00 0.00 H new ATOM 646 N ALA A 44 22.987 -20.867 36.164 1.00 0.00 N ATOM 647 CA ALA A 44 21.995 -21.886 36.487 1.00 0.00 C ATOM 648 C ALA A 44 22.661 -23.154 37.009 1.00 0.00 C ATOM 649 O ALA A 44 22.026 -23.973 37.672 1.00 0.00 O ATOM 650 CB ALA A 44 21.143 -22.199 35.266 1.00 0.00 C ATOM 0 H ALA A 44 23.058 -20.647 35.170 1.00 0.00 H new ATOM 0 HA ALA A 44 21.351 -21.495 37.275 1.00 0.00 H new ATOM 0 HB1 ALA A 44 20.407 -22.961 35.522 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.630 -21.295 34.939 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.781 -22.566 34.462 1.00 0.00 H new ATOM 656 N GLY A 45 23.946 -23.310 36.706 1.00 0.00 N ATOM 657 CA GLY A 45 24.677 -24.482 37.152 1.00 0.00 C ATOM 658 C GLY A 45 25.106 -25.371 36.002 1.00 0.00 C ATOM 659 O GLY A 45 25.982 -26.222 36.159 1.00 0.00 O ATOM 0 H GLY A 45 24.494 -22.646 36.160 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.558 -24.166 37.711 1.00 0.00 H new ATOM 0 HA3 GLY A 45 24.054 -25.056 37.838 1.00 0.00 H new ATOM 663 N PHE A 46 24.488 -25.175 34.842 1.00 0.00 N ATOM 664 CA PHE A 46 24.809 -25.967 33.661 1.00 0.00 C ATOM 665 C PHE A 46 26.059 -25.430 32.969 1.00 0.00 C ATOM 666 O PHE A 46 25.973 -24.608 32.056 1.00 0.00 O ATOM 667 CB PHE A 46 23.632 -25.966 32.684 1.00 0.00 C ATOM 668 CG PHE A 46 22.308 -26.235 33.341 1.00 0.00 C ATOM 669 CD1 PHE A 46 22.040 -27.470 33.910 1.00 0.00 C ATOM 670 CD2 PHE A 46 21.331 -25.254 33.390 1.00 0.00 C ATOM 671 CE1 PHE A 46 20.823 -27.721 34.514 1.00 0.00 C ATOM 672 CE2 PHE A 46 20.112 -25.498 33.993 1.00 0.00 C ATOM 673 CZ PHE A 46 19.858 -26.733 34.557 1.00 0.00 C ATOM 0 H PHE A 46 23.762 -24.474 34.695 1.00 0.00 H new ATOM 0 HA PHE A 46 25.004 -26.990 33.983 1.00 0.00 H new ATOM 0 HB2 PHE A 46 23.589 -25.000 32.180 1.00 0.00 H new ATOM 0 HB3 PHE A 46 23.807 -26.719 31.916 1.00 0.00 H new ATOM 0 HD1 PHE A 46 22.791 -28.245 33.881 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.525 -24.286 32.951 1.00 0.00 H new ATOM 0 HE1 PHE A 46 20.626 -28.688 34.952 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.359 -24.724 34.023 1.00 0.00 H new ATOM 0 HZ PHE A 46 18.907 -26.926 35.031 1.00 0.00 H new ATOM 683 N THR A 47 27.221 -25.900 33.412 1.00 0.00 N ATOM 684 CA THR A 47 28.489 -25.466 32.838 1.00 0.00 C ATOM 685 C THR A 47 28.965 -26.434 31.761 1.00 0.00 C ATOM 686 O THR A 47 29.714 -26.057 30.860 1.00 0.00 O ATOM 687 CB THR A 47 29.580 -25.341 33.918 1.00 0.00 C ATOM 688 OG1 THR A 47 29.710 -26.576 34.629 1.00 0.00 O ATOM 689 CG2 THR A 47 29.250 -24.221 34.893 1.00 0.00 C ATOM 0 H THR A 47 27.310 -26.581 34.166 1.00 0.00 H new ATOM 0 HA THR A 47 28.315 -24.487 32.391 1.00 0.00 H new ATOM 0 HB THR A 47 30.523 -25.106 33.425 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.407 -26.488 35.312 1.00 0.00 H new ATOM 0 HG21 THR A 47 30.035 -24.152 35.647 1.00 0.00 H new ATOM 0 HG22 THR A 47 29.181 -23.277 34.353 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.297 -24.431 35.379 1.00 0.00 H new ATOM 697 N SER A 48 28.524 -27.685 31.860 1.00 0.00 N ATOM 698 CA SER A 48 28.908 -28.708 30.895 1.00 0.00 C ATOM 699 C SER A 48 27.709 -29.141 30.055 1.00 0.00 C ATOM 700 O SER A 48 26.608 -29.327 30.575 1.00 0.00 O ATOM 701 CB SER A 48 29.505 -29.920 31.614 1.00 0.00 C ATOM 702 OG SER A 48 30.639 -29.551 32.379 1.00 0.00 O ATOM 0 H SER A 48 27.901 -28.013 32.598 1.00 0.00 H new ATOM 0 HA SER A 48 29.660 -28.281 30.231 1.00 0.00 H new ATOM 0 HB2 SER A 48 28.754 -30.368 32.264 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.786 -30.678 30.883 1.00 0.00 H new ATOM 0 HG SER A 48 31.001 -30.342 32.830 1.00 0.00 H new ATOM 708 N LEU A 49 27.932 -29.298 28.755 1.00 0.00 N ATOM 709 CA LEU A 49 26.871 -29.708 27.842 1.00 0.00 C ATOM 710 C LEU A 49 26.278 -31.049 28.263 1.00 0.00 C ATOM 711 O LEU A 49 25.106 -31.327 28.009 1.00 0.00 O ATOM 712 CB LEU A 49 27.409 -29.803 26.413 1.00 0.00 C ATOM 713 CG LEU A 49 28.099 -28.550 25.872 1.00 0.00 C ATOM 714 CD1 LEU A 49 28.924 -28.886 24.639 1.00 0.00 C ATOM 715 CD2 LEU A 49 27.073 -27.472 25.552 1.00 0.00 C ATOM 0 H LEU A 49 28.837 -29.148 28.310 1.00 0.00 H new ATOM 0 HA LEU A 49 26.084 -28.955 27.879 1.00 0.00 H new ATOM 0 HB2 LEU A 49 28.116 -30.632 26.366 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.581 -30.053 25.750 1.00 0.00 H new ATOM 0 HG LEU A 49 28.771 -28.167 26.641 1.00 0.00 H new ATOM 0 HD11 LEU A 49 29.408 -27.983 24.268 1.00 0.00 H new ATOM 0 HD12 LEU A 49 29.683 -29.623 24.899 1.00 0.00 H new ATOM 0 HD13 LEU A 49 28.273 -29.293 23.865 1.00 0.00 H new ATOM 0 HD21 LEU A 49 27.582 -26.588 25.168 1.00 0.00 H new ATOM 0 HD22 LEU A 49 26.376 -27.844 24.801 1.00 0.00 H new ATOM 0 HD23 LEU A 49 26.525 -27.211 26.457 1.00 0.00 H new ATOM 727 N GLN A 50 27.094 -31.874 28.911 1.00 0.00 N ATOM 728 CA GLN A 50 26.649 -33.185 29.369 1.00 0.00 C ATOM 729 C GLN A 50 25.396 -33.064 30.230 1.00 0.00 C ATOM 730 O GLN A 50 24.585 -33.989 30.299 1.00 0.00 O ATOM 731 CB GLN A 50 27.760 -33.877 30.160 1.00 0.00 C ATOM 732 CG GLN A 50 27.395 -35.277 30.625 1.00 0.00 C ATOM 733 CD GLN A 50 28.375 -35.829 31.641 1.00 0.00 C ATOM 734 OE1 GLN A 50 28.914 -36.923 31.471 1.00 0.00 O ATOM 735 NE2 GLN A 50 28.612 -35.073 32.707 1.00 0.00 N ATOM 0 H GLN A 50 28.066 -31.658 29.131 1.00 0.00 H new ATOM 0 HA GLN A 50 26.409 -33.786 28.492 1.00 0.00 H new ATOM 0 HB2 GLN A 50 28.656 -33.931 29.541 1.00 0.00 H new ATOM 0 HB3 GLN A 50 28.009 -33.268 31.029 1.00 0.00 H new ATOM 0 HG2 GLN A 50 26.396 -35.262 31.061 1.00 0.00 H new ATOM 0 HG3 GLN A 50 27.357 -35.943 29.763 1.00 0.00 H new ATOM 0 HE21 GLN A 50 28.143 -34.173 32.808 1.00 0.00 H new ATOM 0 HE22 GLN A 50 29.263 -35.393 33.425 1.00 0.00 H new ATOM 744 N LEU A 51 25.243 -31.918 30.885 1.00 0.00 N ATOM 745 CA LEU A 51 24.088 -31.676 31.743 1.00 0.00 C ATOM 746 C LEU A 51 22.952 -31.030 30.957 1.00 0.00 C ATOM 747 O LEU A 51 21.781 -31.170 31.310 1.00 0.00 O ATOM 748 CB LEU A 51 24.481 -30.783 32.921 1.00 0.00 C ATOM 749 CG LEU A 51 25.543 -31.347 33.866 1.00 0.00 C ATOM 750 CD1 LEU A 51 25.834 -30.364 34.989 1.00 0.00 C ATOM 751 CD2 LEU A 51 25.095 -32.687 34.431 1.00 0.00 C ATOM 0 H LEU A 51 25.904 -31.142 30.838 1.00 0.00 H new ATOM 0 HA LEU A 51 23.741 -32.637 32.124 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.842 -29.833 32.526 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.584 -30.567 33.502 1.00 0.00 H new ATOM 0 HG LEU A 51 26.461 -31.502 33.300 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.592 -30.782 35.651 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.198 -29.427 34.567 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.921 -30.177 35.555 1.00 0.00 H new ATOM 0 HD21 LEU A 51 25.862 -33.074 35.101 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.164 -32.556 34.982 1.00 0.00 H new ATOM 0 HD23 LEU A 51 24.937 -33.392 33.615 1.00 0.00 H new ATOM 763 N VAL A 52 23.306 -30.323 29.888 1.00 0.00 N ATOM 764 CA VAL A 52 22.316 -29.657 29.050 1.00 0.00 C ATOM 765 C VAL A 52 21.583 -30.659 28.165 1.00 0.00 C ATOM 766 O VAL A 52 20.421 -30.456 27.808 1.00 0.00 O ATOM 767 CB VAL A 52 22.967 -28.583 28.158 1.00 0.00 C ATOM 768 CG1 VAL A 52 21.924 -27.924 27.268 1.00 0.00 C ATOM 769 CG2 VAL A 52 23.684 -27.547 29.011 1.00 0.00 C ATOM 0 H VAL A 52 24.271 -30.197 29.582 1.00 0.00 H new ATOM 0 HA VAL A 52 21.603 -29.178 29.721 1.00 0.00 H new ATOM 0 HB VAL A 52 23.704 -29.065 27.516 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.402 -27.168 26.645 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.460 -28.678 26.632 1.00 0.00 H new ATOM 0 HG13 VAL A 52 21.161 -27.453 27.888 1.00 0.00 H new ATOM 0 HG21 VAL A 52 24.138 -26.796 28.365 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.968 -27.067 29.679 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.460 -28.035 29.601 1.00 0.00 H new ATOM 779 N THR A 53 22.267 -31.743 27.815 1.00 0.00 N ATOM 780 CA THR A 53 21.682 -32.778 26.971 1.00 0.00 C ATOM 781 C THR A 53 20.468 -33.412 27.641 1.00 0.00 C ATOM 782 O THR A 53 19.586 -33.946 26.970 1.00 0.00 O ATOM 783 CB THR A 53 22.706 -33.880 26.641 1.00 0.00 C ATOM 784 OG1 THR A 53 23.316 -34.358 27.845 1.00 0.00 O ATOM 785 CG2 THR A 53 23.777 -33.358 25.696 1.00 0.00 C ATOM 0 H THR A 53 23.228 -31.928 28.103 1.00 0.00 H new ATOM 0 HA THR A 53 21.371 -32.293 26.046 1.00 0.00 H new ATOM 0 HB THR A 53 22.180 -34.699 26.151 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.965 -35.059 27.627 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.489 -34.154 25.477 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.312 -33.022 24.769 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.299 -32.523 26.163 1.00 0.00 H new ATOM 793 N GLN A 54 20.430 -33.348 28.968 1.00 0.00 N ATOM 794 CA GLN A 54 19.323 -33.916 29.729 1.00 0.00 C ATOM 795 C GLN A 54 18.349 -32.828 30.169 1.00 0.00 C ATOM 796 O GLN A 54 17.643 -32.980 31.165 1.00 0.00 O ATOM 797 CB GLN A 54 19.850 -34.670 30.951 1.00 0.00 C ATOM 798 CG GLN A 54 21.036 -35.571 30.645 1.00 0.00 C ATOM 799 CD GLN A 54 21.408 -36.463 31.813 1.00 0.00 C ATOM 800 OE1 GLN A 54 20.545 -36.899 32.575 1.00 0.00 O ATOM 801 NE2 GLN A 54 22.699 -36.739 31.960 1.00 0.00 N ATOM 0 H GLN A 54 21.153 -32.909 29.538 1.00 0.00 H new ATOM 0 HA GLN A 54 18.791 -34.614 29.082 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.140 -33.949 31.715 1.00 0.00 H new ATOM 0 HB3 GLN A 54 19.045 -35.273 31.371 1.00 0.00 H new ATOM 0 HG2 GLN A 54 20.803 -36.191 29.779 1.00 0.00 H new ATOM 0 HG3 GLN A 54 21.894 -34.956 30.375 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.380 -36.356 31.305 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.009 -37.334 32.728 1.00 0.00 H new ATOM 810 N MET A 55 18.318 -31.731 29.420 1.00 0.00 N ATOM 811 CA MET A 55 17.430 -30.617 29.734 1.00 0.00 C ATOM 812 C MET A 55 16.242 -30.584 28.777 1.00 0.00 C ATOM 813 O MET A 55 16.241 -31.260 27.748 1.00 0.00 O ATOM 814 CB MET A 55 18.193 -29.293 29.664 1.00 0.00 C ATOM 815 CG MET A 55 19.230 -29.131 30.764 1.00 0.00 C ATOM 816 SD MET A 55 18.490 -29.017 32.405 1.00 0.00 S ATOM 817 CE MET A 55 18.867 -30.641 33.059 1.00 0.00 C ATOM 0 H MET A 55 18.897 -31.589 28.592 1.00 0.00 H new ATOM 0 HA MET A 55 17.055 -30.758 30.748 1.00 0.00 H new ATOM 0 HB2 MET A 55 18.688 -29.219 28.696 1.00 0.00 H new ATOM 0 HB3 MET A 55 17.481 -28.469 29.722 1.00 0.00 H new ATOM 0 HG2 MET A 55 19.917 -29.977 30.738 1.00 0.00 H new ATOM 0 HG3 MET A 55 19.820 -28.235 30.573 1.00 0.00 H new ATOM 0 HE1 MET A 55 17.942 -31.144 33.340 1.00 0.00 H new ATOM 0 HE2 MET A 55 19.383 -31.228 32.300 1.00 0.00 H new ATOM 0 HE3 MET A 55 19.506 -30.541 33.936 1.00 0.00 H new ATOM 827 N THR A 56 15.231 -29.793 29.124 1.00 0.00 N ATOM 828 CA THR A 56 14.037 -29.673 28.297 1.00 0.00 C ATOM 829 C THR A 56 13.600 -28.218 28.170 1.00 0.00 C ATOM 830 O THR A 56 14.160 -27.333 28.817 1.00 0.00 O ATOM 831 CB THR A 56 12.871 -30.499 28.871 1.00 0.00 C ATOM 832 OG1 THR A 56 11.789 -30.537 27.934 1.00 0.00 O ATOM 833 CG2 THR A 56 12.387 -29.911 30.188 1.00 0.00 C ATOM 0 H THR A 56 15.216 -29.226 29.972 1.00 0.00 H new ATOM 0 HA THR A 56 14.295 -30.059 27.311 1.00 0.00 H new ATOM 0 HB THR A 56 13.229 -31.512 29.054 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.052 -31.066 28.306 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.563 -30.512 30.574 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.205 -29.911 30.909 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.046 -28.888 30.026 1.00 0.00 H new ATOM 841 N SER A 57 12.595 -27.977 27.334 1.00 0.00 N ATOM 842 CA SER A 57 12.085 -26.628 27.121 1.00 0.00 C ATOM 843 C SER A 57 11.748 -25.958 28.449 1.00 0.00 C ATOM 844 O SER A 57 11.990 -24.766 28.634 1.00 0.00 O ATOM 845 CB SER A 57 10.844 -26.665 26.226 1.00 0.00 C ATOM 846 OG SER A 57 10.617 -27.970 25.722 1.00 0.00 O ATOM 0 H SER A 57 12.118 -28.698 26.793 1.00 0.00 H new ATOM 0 HA SER A 57 12.863 -26.046 26.628 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.973 -26.334 26.792 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.969 -25.968 25.397 1.00 0.00 H new ATOM 0 HG SER A 57 9.818 -27.967 25.155 1.00 0.00 H new ATOM 852 N GLU A 58 11.187 -26.735 29.371 1.00 0.00 N ATOM 853 CA GLU A 58 10.816 -26.217 30.683 1.00 0.00 C ATOM 854 C GLU A 58 12.033 -25.650 31.408 1.00 0.00 C ATOM 855 O GLU A 58 11.954 -24.603 32.050 1.00 0.00 O ATOM 856 CB GLU A 58 10.172 -27.319 31.527 1.00 0.00 C ATOM 857 CG GLU A 58 9.059 -28.064 30.810 1.00 0.00 C ATOM 858 CD GLU A 58 8.073 -28.703 31.768 1.00 0.00 C ATOM 859 OE1 GLU A 58 8.195 -28.468 32.988 1.00 0.00 O ATOM 860 OE2 GLU A 58 7.180 -29.438 31.298 1.00 0.00 O ATOM 0 H GLU A 58 10.980 -27.724 29.234 1.00 0.00 H new ATOM 0 HA GLU A 58 10.095 -25.413 30.538 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.941 -28.032 31.826 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.773 -26.879 32.441 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.528 -27.373 30.155 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.494 -28.835 30.174 1.00 0.00 H new ATOM 867 N ASP A 59 13.156 -26.350 31.302 1.00 0.00 N ATOM 868 CA ASP A 59 14.391 -25.918 31.947 1.00 0.00 C ATOM 869 C ASP A 59 14.814 -24.542 31.442 1.00 0.00 C ATOM 870 O ASP A 59 15.372 -23.739 32.191 1.00 0.00 O ATOM 871 CB ASP A 59 15.506 -26.933 31.694 1.00 0.00 C ATOM 872 CG ASP A 59 15.284 -28.235 32.438 1.00 0.00 C ATOM 873 OD1 ASP A 59 14.934 -28.182 33.636 1.00 0.00 O ATOM 874 OD2 ASP A 59 15.458 -29.307 31.822 1.00 0.00 O ATOM 0 H ASP A 59 13.237 -27.220 30.775 1.00 0.00 H new ATOM 0 HA ASP A 59 14.208 -25.852 33.020 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.573 -27.136 30.625 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.460 -26.503 31.997 1.00 0.00 H new ATOM 879 N LEU A 60 14.547 -24.277 30.168 1.00 0.00 N ATOM 880 CA LEU A 60 14.901 -22.998 29.563 1.00 0.00 C ATOM 881 C LEU A 60 14.070 -21.865 30.157 1.00 0.00 C ATOM 882 O LEU A 60 14.554 -20.743 30.316 1.00 0.00 O ATOM 883 CB LEU A 60 14.697 -23.055 28.048 1.00 0.00 C ATOM 884 CG LEU A 60 15.201 -24.318 27.350 1.00 0.00 C ATOM 885 CD1 LEU A 60 14.857 -24.283 25.868 1.00 0.00 C ATOM 886 CD2 LEU A 60 16.701 -24.475 27.547 1.00 0.00 C ATOM 0 H LEU A 60 14.087 -24.930 29.534 1.00 0.00 H new ATOM 0 HA LEU A 60 15.952 -22.802 29.775 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.632 -22.950 27.841 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.195 -22.194 27.602 1.00 0.00 H new ATOM 0 HG LEU A 60 14.704 -25.179 27.797 1.00 0.00 H new ATOM 0 HD11 LEU A 60 15.224 -25.190 25.388 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.776 -24.220 25.747 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.325 -23.414 25.406 1.00 0.00 H new ATOM 0 HD21 LEU A 60 17.041 -25.380 27.043 1.00 0.00 H new ATOM 0 HD22 LEU A 60 17.216 -23.610 27.128 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.922 -24.548 28.612 1.00 0.00 H new ATOM 898 N LEU A 61 12.819 -22.165 30.485 1.00 0.00 N ATOM 899 CA LEU A 61 11.920 -21.173 31.064 1.00 0.00 C ATOM 900 C LEU A 61 12.237 -20.947 32.539 1.00 0.00 C ATOM 901 O LEU A 61 11.844 -19.936 33.121 1.00 0.00 O ATOM 902 CB LEU A 61 10.466 -21.619 30.906 1.00 0.00 C ATOM 903 CG LEU A 61 9.794 -21.258 29.581 1.00 0.00 C ATOM 904 CD1 LEU A 61 9.197 -22.497 28.931 1.00 0.00 C ATOM 905 CD2 LEU A 61 8.724 -20.198 29.796 1.00 0.00 C ATOM 0 H LEU A 61 12.403 -23.088 30.360 1.00 0.00 H new ATOM 0 HA LEU A 61 12.065 -20.233 30.531 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.423 -22.701 31.029 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.883 -21.183 31.717 1.00 0.00 H new ATOM 0 HG LEU A 61 10.551 -20.850 28.911 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.723 -22.221 27.989 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.986 -23.224 28.741 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.453 -22.935 29.597 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.257 -19.954 28.842 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.968 -20.578 30.483 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.179 -19.302 30.217 1.00 0.00 H new ATOM 917 N ARG A 62 12.951 -21.895 33.138 1.00 0.00 N ATOM 918 CA ARG A 62 13.322 -21.799 34.544 1.00 0.00 C ATOM 919 C ARG A 62 14.485 -20.829 34.735 1.00 0.00 C ATOM 920 O ARG A 62 14.536 -20.092 35.721 1.00 0.00 O ATOM 921 CB ARG A 62 13.699 -23.177 35.090 1.00 0.00 C ATOM 922 CG ARG A 62 12.551 -24.174 35.072 1.00 0.00 C ATOM 923 CD ARG A 62 12.514 -25.004 36.345 1.00 0.00 C ATOM 924 NE ARG A 62 13.596 -25.984 36.391 1.00 0.00 N ATOM 925 CZ ARG A 62 13.751 -26.862 37.376 1.00 0.00 C ATOM 926 NH1 ARG A 62 12.898 -26.883 38.391 1.00 0.00 N ATOM 927 NH2 ARG A 62 14.761 -27.723 37.346 1.00 0.00 N ATOM 0 H ARG A 62 13.284 -22.738 32.671 1.00 0.00 H new ATOM 0 HA ARG A 62 12.461 -21.421 35.095 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.526 -23.577 34.503 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.058 -23.067 36.113 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.607 -23.641 34.956 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.653 -24.833 34.210 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.585 -24.345 37.210 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.556 -25.519 36.415 1.00 0.00 H new ATOM 0 HE ARG A 62 14.269 -25.995 35.625 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.120 -26.224 38.417 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.020 -27.558 39.146 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.419 -27.711 36.566 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.879 -28.397 38.103 1.00 0.00 H new ATOM 941 N ILE A 63 15.416 -20.836 33.788 1.00 0.00 N ATOM 942 CA ILE A 63 16.577 -19.957 33.852 1.00 0.00 C ATOM 943 C ILE A 63 16.229 -18.552 33.374 1.00 0.00 C ATOM 944 O ILE A 63 16.851 -17.573 33.785 1.00 0.00 O ATOM 945 CB ILE A 63 17.742 -20.502 33.005 1.00 0.00 C ATOM 946 CG1 ILE A 63 17.361 -20.517 31.523 1.00 0.00 C ATOM 947 CG2 ILE A 63 18.130 -21.897 33.472 1.00 0.00 C ATOM 948 CD1 ILE A 63 18.489 -20.953 30.614 1.00 0.00 C ATOM 0 H ILE A 63 15.389 -21.441 32.967 1.00 0.00 H new ATOM 0 HA ILE A 63 16.886 -19.916 34.897 1.00 0.00 H new ATOM 0 HB ILE A 63 18.602 -19.845 33.133 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.512 -21.185 31.381 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.034 -19.519 31.230 1.00 0.00 H new ATOM 0 HG21 ILE A 63 18.955 -22.268 32.863 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.439 -21.858 34.517 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.275 -22.565 33.371 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.148 -20.940 29.579 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.332 -20.271 30.727 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.801 -21.963 30.880 1.00 0.00 H new ATOM 960 N GLY A 64 15.229 -18.459 32.503 1.00 0.00 N ATOM 961 CA GLY A 64 14.814 -17.169 31.984 1.00 0.00 C ATOM 962 C GLY A 64 14.342 -17.246 30.546 1.00 0.00 C ATOM 963 O GLY A 64 13.407 -16.548 30.154 1.00 0.00 O ATOM 0 H GLY A 64 14.699 -19.254 32.147 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.011 -16.772 32.606 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.646 -16.469 32.053 1.00 0.00 H new ATOM 967 N ILE A 65 14.991 -18.096 29.757 1.00 0.00 N ATOM 968 CA ILE A 65 14.632 -18.262 28.354 1.00 0.00 C ATOM 969 C ILE A 65 13.156 -18.615 28.202 1.00 0.00 C ATOM 970 O ILE A 65 12.758 -19.764 28.394 1.00 0.00 O ATOM 971 CB ILE A 65 15.482 -19.355 27.681 1.00 0.00 C ATOM 972 CG1 ILE A 65 16.969 -19.012 27.785 1.00 0.00 C ATOM 973 CG2 ILE A 65 15.072 -19.523 26.225 1.00 0.00 C ATOM 974 CD1 ILE A 65 17.880 -20.200 27.566 1.00 0.00 C ATOM 0 H ILE A 65 15.768 -18.680 30.066 1.00 0.00 H new ATOM 0 HA ILE A 65 14.827 -17.308 27.863 1.00 0.00 H new ATOM 0 HB ILE A 65 15.309 -20.299 28.198 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.208 -18.241 27.052 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.168 -18.588 28.769 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.682 -20.299 25.763 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.021 -19.808 26.173 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.219 -18.582 25.695 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.919 -19.883 27.654 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.669 -20.963 28.315 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.709 -20.611 26.571 1.00 0.00 H new ATOM 986 N THR A 66 12.348 -17.618 27.854 1.00 0.00 N ATOM 987 CA THR A 66 10.916 -17.823 27.675 1.00 0.00 C ATOM 988 C THR A 66 10.477 -17.441 26.266 1.00 0.00 C ATOM 989 O THR A 66 9.285 -17.299 25.993 1.00 0.00 O ATOM 990 CB THR A 66 10.100 -17.004 28.694 1.00 0.00 C ATOM 991 OG1 THR A 66 10.296 -15.604 28.467 1.00 0.00 O ATOM 992 CG2 THR A 66 10.505 -17.354 30.118 1.00 0.00 C ATOM 0 H THR A 66 12.661 -16.661 27.691 1.00 0.00 H new ATOM 0 HA THR A 66 10.726 -18.884 27.836 1.00 0.00 H new ATOM 0 HB THR A 66 9.046 -17.248 28.563 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.773 -15.091 29.118 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.916 -16.763 30.819 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.327 -18.414 30.297 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.563 -17.135 30.259 1.00 0.00 H new ATOM 1000 N LEU A 67 11.448 -17.277 25.374 1.00 0.00 N ATOM 1001 CA LEU A 67 11.162 -16.912 23.991 1.00 0.00 C ATOM 1002 C LEU A 67 10.758 -18.137 23.177 1.00 0.00 C ATOM 1003 O LEU A 67 11.474 -19.137 23.146 1.00 0.00 O ATOM 1004 CB LEU A 67 12.383 -16.243 23.356 1.00 0.00 C ATOM 1005 CG LEU A 67 12.512 -14.735 23.576 1.00 0.00 C ATOM 1006 CD1 LEU A 67 11.464 -13.986 22.768 1.00 0.00 C ATOM 1007 CD2 LEU A 67 12.388 -14.400 25.055 1.00 0.00 C ATOM 0 H LEU A 67 12.440 -17.391 25.584 1.00 0.00 H new ATOM 0 HA LEU A 67 10.329 -16.208 23.992 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.280 -16.725 23.745 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.359 -16.433 22.283 1.00 0.00 H new ATOM 0 HG LEU A 67 13.498 -14.420 23.234 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.571 -12.915 22.937 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.599 -14.201 21.708 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.469 -14.304 23.079 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.482 -13.323 25.193 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.416 -14.729 25.422 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.177 -14.907 25.610 1.00 0.00 H new ATOM 1019 N ALA A 68 9.608 -18.050 22.517 1.00 0.00 N ATOM 1020 CA ALA A 68 9.111 -19.150 21.699 1.00 0.00 C ATOM 1021 C ALA A 68 9.959 -19.327 20.444 1.00 0.00 C ATOM 1022 O ALA A 68 10.126 -20.440 19.948 1.00 0.00 O ATOM 1023 CB ALA A 68 7.655 -18.914 21.326 1.00 0.00 C ATOM 0 H ALA A 68 9.003 -17.229 22.533 1.00 0.00 H new ATOM 0 HA ALA A 68 9.180 -20.067 22.285 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.297 -19.743 20.715 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.054 -18.845 22.233 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.570 -17.985 20.762 1.00 0.00 H new ATOM 1029 N GLY A 69 10.493 -18.221 19.935 1.00 0.00 N ATOM 1030 CA GLY A 69 11.316 -18.276 18.741 1.00 0.00 C ATOM 1031 C GLY A 69 12.731 -18.734 19.034 1.00 0.00 C ATOM 1032 O GLY A 69 13.443 -19.186 18.136 1.00 0.00 O ATOM 0 H GLY A 69 10.370 -17.288 20.328 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.860 -18.954 18.020 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.345 -17.290 18.277 1.00 0.00 H new ATOM 1036 N HIS A 70 13.141 -18.616 20.292 1.00 0.00 N ATOM 1037 CA HIS A 70 14.482 -19.021 20.701 1.00 0.00 C ATOM 1038 C HIS A 70 14.500 -20.484 21.133 1.00 0.00 C ATOM 1039 O HIS A 70 15.384 -21.245 20.742 1.00 0.00 O ATOM 1040 CB HIS A 70 14.980 -18.133 21.842 1.00 0.00 C ATOM 1041 CG HIS A 70 15.385 -16.761 21.400 1.00 0.00 C ATOM 1042 ND1 HIS A 70 15.418 -15.676 22.251 1.00 0.00 N ATOM 1043 CD2 HIS A 70 15.777 -16.300 20.190 1.00 0.00 C ATOM 1044 CE1 HIS A 70 15.811 -14.607 21.582 1.00 0.00 C ATOM 1045 NE2 HIS A 70 16.036 -14.958 20.329 1.00 0.00 N ATOM 0 H HIS A 70 12.565 -18.243 21.047 1.00 0.00 H new ATOM 0 HA HIS A 70 15.147 -18.906 19.845 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.195 -18.047 22.593 1.00 0.00 H new ATOM 0 HB3 HIS A 70 15.830 -18.616 22.323 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.869 -16.879 19.283 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.928 -13.614 21.991 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.351 -14.334 19.586 1.00 0.00 H new ATOM 1053 N GLN A 71 13.518 -20.869 21.942 1.00 0.00 N ATOM 1054 CA GLN A 71 13.423 -22.240 22.428 1.00 0.00 C ATOM 1055 C GLN A 71 13.435 -23.231 21.269 1.00 0.00 C ATOM 1056 O GLN A 71 14.034 -24.303 21.360 1.00 0.00 O ATOM 1057 CB GLN A 71 12.151 -22.423 23.258 1.00 0.00 C ATOM 1058 CG GLN A 71 12.239 -21.814 24.648 1.00 0.00 C ATOM 1059 CD GLN A 71 10.926 -21.893 25.403 1.00 0.00 C ATOM 1060 OE1 GLN A 71 10.786 -21.067 26.434 1.00 0.00 O flip ATOM 1061 NE2 GLN A 71 10.048 -22.687 25.064 1.00 0.00 N flip ATOM 0 H GLN A 71 12.778 -20.251 22.274 1.00 0.00 H new ATOM 0 HA GLN A 71 14.291 -22.436 23.058 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.312 -21.974 22.726 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.937 -23.488 23.350 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.013 -22.328 25.218 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.544 -20.771 24.565 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.198 -23.303 24.265 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.170 -22.728 25.582 1.00 0.00 H new ATOM 1070 N LYS A 72 12.770 -22.865 20.178 1.00 0.00 N ATOM 1071 CA LYS A 72 12.704 -23.721 18.999 1.00 0.00 C ATOM 1072 C LYS A 72 14.102 -24.071 18.502 1.00 0.00 C ATOM 1073 O LYS A 72 14.305 -25.103 17.862 1.00 0.00 O ATOM 1074 CB LYS A 72 11.913 -23.030 17.886 1.00 0.00 C ATOM 1075 CG LYS A 72 10.947 -23.953 17.163 1.00 0.00 C ATOM 1076 CD LYS A 72 9.739 -23.195 16.639 1.00 0.00 C ATOM 1077 CE LYS A 72 8.574 -23.259 17.615 1.00 0.00 C ATOM 1078 NZ LYS A 72 7.332 -23.763 16.966 1.00 0.00 N ATOM 0 H LYS A 72 12.269 -21.981 20.086 1.00 0.00 H new ATOM 0 HA LYS A 72 12.196 -24.644 19.278 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.355 -22.196 18.312 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.611 -22.610 17.162 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.460 -24.440 16.334 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.618 -24.740 17.841 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.010 -22.154 16.462 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.434 -23.613 15.679 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.836 -23.908 18.451 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.391 -22.267 18.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.562 -23.791 17.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.067 -23.130 16.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.498 -24.720 16.595 1.00 0.00 H new ATOM 1092 N LYS A 73 15.065 -23.205 18.800 1.00 0.00 N ATOM 1093 CA LYS A 73 16.446 -23.423 18.386 1.00 0.00 C ATOM 1094 C LYS A 73 17.185 -24.296 19.394 1.00 0.00 C ATOM 1095 O LYS A 73 17.792 -25.304 19.030 1.00 0.00 O ATOM 1096 CB LYS A 73 17.170 -22.084 18.227 1.00 0.00 C ATOM 1097 CG LYS A 73 18.523 -22.201 17.548 1.00 0.00 C ATOM 1098 CD LYS A 73 18.725 -21.104 16.515 1.00 0.00 C ATOM 1099 CE LYS A 73 19.594 -21.579 15.360 1.00 0.00 C ATOM 1100 NZ LYS A 73 18.887 -21.471 14.054 1.00 0.00 N ATOM 0 H LYS A 73 14.914 -22.345 19.327 1.00 0.00 H new ATOM 0 HA LYS A 73 16.434 -23.939 17.426 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.541 -21.407 17.650 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.304 -21.634 19.211 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.313 -22.147 18.297 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.607 -23.175 17.067 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.757 -20.779 16.134 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.188 -20.238 16.988 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.510 -20.988 15.327 1.00 0.00 H new ATOM 0 HE3 LYS A 73 19.889 -22.615 15.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.512 -21.804 13.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.026 -22.055 14.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.628 -20.479 13.880 1.00 0.00 H new ATOM 1114 N ILE A 74 17.129 -23.905 20.663 1.00 0.00 N ATOM 1115 CA ILE A 74 17.791 -24.654 21.723 1.00 0.00 C ATOM 1116 C ILE A 74 17.368 -26.119 21.708 1.00 0.00 C ATOM 1117 O ILE A 74 18.195 -27.014 21.529 1.00 0.00 O ATOM 1118 CB ILE A 74 17.485 -24.057 23.110 1.00 0.00 C ATOM 1119 CG1 ILE A 74 17.931 -22.594 23.169 1.00 0.00 C ATOM 1120 CG2 ILE A 74 18.170 -24.870 24.199 1.00 0.00 C ATOM 1121 CD1 ILE A 74 17.519 -21.888 24.442 1.00 0.00 C ATOM 0 H ILE A 74 16.632 -23.073 20.982 1.00 0.00 H new ATOM 0 HA ILE A 74 18.863 -24.586 21.535 1.00 0.00 H new ATOM 0 HB ILE A 74 16.409 -24.096 23.277 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.016 -22.549 23.073 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.513 -22.060 22.315 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.945 -24.436 25.173 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.809 -25.898 24.167 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.248 -24.859 24.038 1.00 0.00 H new ATOM 0 HD11 ILE A 74 17.868 -20.856 24.415 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.433 -21.901 24.530 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.959 -22.398 25.299 1.00 0.00 H new ATOM 1133 N LEU A 75 16.074 -26.357 21.896 1.00 0.00 N ATOM 1134 CA LEU A 75 15.539 -27.714 21.903 1.00 0.00 C ATOM 1135 C LEU A 75 15.948 -28.466 20.640 1.00 0.00 C ATOM 1136 O LEU A 75 16.309 -29.641 20.696 1.00 0.00 O ATOM 1137 CB LEU A 75 14.014 -27.681 22.019 1.00 0.00 C ATOM 1138 CG LEU A 75 13.450 -26.944 23.234 1.00 0.00 C ATOM 1139 CD1 LEU A 75 11.948 -26.750 23.090 1.00 0.00 C ATOM 1140 CD2 LEU A 75 13.771 -27.702 24.514 1.00 0.00 C ATOM 0 H LEU A 75 15.376 -25.628 22.046 1.00 0.00 H new ATOM 0 HA LEU A 75 15.952 -28.237 22.766 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.611 -27.218 21.119 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.649 -28.708 22.040 1.00 0.00 H new ATOM 0 HG LEU A 75 13.919 -25.962 23.290 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.564 -26.224 23.964 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.741 -26.165 22.194 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.462 -27.722 23.009 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.362 -27.163 25.368 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.329 -28.697 24.468 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.852 -27.789 24.624 1.00 0.00 H new ATOM 1152 N ASN A 76 15.891 -27.780 19.504 1.00 0.00 N ATOM 1153 CA ASN A 76 16.257 -28.383 18.227 1.00 0.00 C ATOM 1154 C ASN A 76 17.698 -28.884 18.256 1.00 0.00 C ATOM 1155 O ASN A 76 18.060 -29.808 17.527 1.00 0.00 O ATOM 1156 CB ASN A 76 16.080 -27.373 17.092 1.00 0.00 C ATOM 1157 CG ASN A 76 14.719 -27.479 16.431 1.00 0.00 C ATOM 1158 OD1 ASN A 76 13.744 -27.896 17.056 1.00 0.00 O ATOM 1159 ND2 ASN A 76 14.649 -27.103 15.159 1.00 0.00 N ATOM 0 H ASN A 76 15.595 -26.806 19.441 1.00 0.00 H new ATOM 0 HA ASN A 76 15.598 -29.233 18.053 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.214 -26.364 17.483 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.857 -27.531 16.344 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.761 -27.154 14.660 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.484 -26.764 14.681 1.00 0.00 H new ATOM 1166 N SER A 77 18.516 -28.269 19.104 1.00 0.00 N ATOM 1167 CA SER A 77 19.918 -28.650 19.226 1.00 0.00 C ATOM 1168 C SER A 77 20.102 -29.704 20.313 1.00 0.00 C ATOM 1169 O SER A 77 20.755 -30.726 20.098 1.00 0.00 O ATOM 1170 CB SER A 77 20.777 -27.423 19.540 1.00 0.00 C ATOM 1171 OG SER A 77 22.043 -27.512 18.910 1.00 0.00 O ATOM 0 H SER A 77 18.232 -27.505 19.717 1.00 0.00 H new ATOM 0 HA SER A 77 20.237 -29.075 18.274 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.264 -26.521 19.206 1.00 0.00 H new ATOM 0 HB3 SER A 77 20.909 -27.334 20.618 1.00 0.00 H new ATOM 0 HG SER A 77 22.298 -26.632 18.562 1.00 0.00 H new ATOM 1177 N ILE A 78 19.522 -29.448 21.481 1.00 0.00 N ATOM 1178 CA ILE A 78 19.621 -30.375 22.602 1.00 0.00 C ATOM 1179 C ILE A 78 19.141 -31.768 22.207 1.00 0.00 C ATOM 1180 O ILE A 78 19.797 -32.768 22.500 1.00 0.00 O ATOM 1181 CB ILE A 78 18.801 -29.886 23.811 1.00 0.00 C ATOM 1182 CG1 ILE A 78 19.273 -28.497 24.246 1.00 0.00 C ATOM 1183 CG2 ILE A 78 18.914 -30.874 24.962 1.00 0.00 C ATOM 1184 CD1 ILE A 78 18.407 -27.872 25.317 1.00 0.00 C ATOM 0 H ILE A 78 18.979 -28.607 21.676 1.00 0.00 H new ATOM 0 HA ILE A 78 20.674 -30.421 22.882 1.00 0.00 H new ATOM 0 HB ILE A 78 17.753 -29.818 23.518 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.297 -28.569 24.614 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.292 -27.840 23.377 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.329 -30.515 25.809 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.535 -31.846 24.646 1.00 0.00 H new ATOM 0 HG23 ILE A 78 19.959 -30.971 25.257 1.00 0.00 H new ATOM 0 HD11 ILE A 78 18.801 -26.889 25.576 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.388 -27.768 24.946 1.00 0.00 H new ATOM 0 HD13 ILE A 78 18.407 -28.508 26.202 1.00 0.00 H new ATOM 1196 N HIS A 79 17.994 -31.826 21.539 1.00 0.00 N ATOM 1197 CA HIS A 79 17.427 -33.097 21.102 1.00 0.00 C ATOM 1198 C HIS A 79 18.421 -33.865 20.236 1.00 0.00 C ATOM 1199 O HIS A 79 18.494 -35.092 20.298 1.00 0.00 O ATOM 1200 CB HIS A 79 16.132 -32.861 20.324 1.00 0.00 C ATOM 1201 CG HIS A 79 15.124 -33.955 20.494 1.00 0.00 C ATOM 1202 ND1 HIS A 79 13.784 -33.796 20.208 1.00 0.00 N ATOM 1203 CD2 HIS A 79 15.266 -35.232 20.922 1.00 0.00 C ATOM 1204 CE1 HIS A 79 13.146 -34.926 20.454 1.00 0.00 C ATOM 1205 NE2 HIS A 79 14.023 -35.814 20.888 1.00 0.00 N ATOM 0 H HIS A 79 17.439 -31.008 21.288 1.00 0.00 H new ATOM 0 HA HIS A 79 17.207 -33.693 21.988 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.691 -31.918 20.647 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.368 -32.757 19.265 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.186 -35.705 21.232 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.087 -35.095 20.323 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.811 -36.775 21.154 1.00 0.00 H new ATOM 1213 N SER A 80 19.184 -33.135 19.429 1.00 0.00 N ATOM 1214 CA SER A 80 20.170 -33.748 18.547 1.00 0.00 C ATOM 1215 C SER A 80 21.460 -34.054 19.304 1.00 0.00 C ATOM 1216 O SER A 80 22.207 -34.960 18.937 1.00 0.00 O ATOM 1217 CB SER A 80 20.468 -32.828 17.361 1.00 0.00 C ATOM 1218 OG SER A 80 19.609 -33.110 16.270 1.00 0.00 O ATOM 0 H SER A 80 19.138 -32.118 19.368 1.00 0.00 H new ATOM 0 HA SER A 80 19.755 -34.685 18.175 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.347 -31.788 17.664 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.506 -32.952 17.052 1.00 0.00 H new ATOM 0 HG SER A 80 19.818 -32.508 15.525 1.00 0.00 H new ATOM 1224 N MET A 81 21.712 -33.291 20.362 1.00 0.00 N ATOM 1225 CA MET A 81 22.910 -33.480 21.172 1.00 0.00 C ATOM 1226 C MET A 81 22.833 -34.783 21.961 1.00 0.00 C ATOM 1227 O MET A 81 23.720 -35.632 21.864 1.00 0.00 O ATOM 1228 CB MET A 81 23.097 -32.301 22.129 1.00 0.00 C ATOM 1229 CG MET A 81 24.299 -31.432 21.796 1.00 0.00 C ATOM 1230 SD MET A 81 24.979 -30.604 23.246 1.00 0.00 S ATOM 1231 CE MET A 81 23.751 -29.329 23.515 1.00 0.00 C ATOM 0 H MET A 81 21.103 -32.536 20.679 1.00 0.00 H new ATOM 0 HA MET A 81 23.767 -33.532 20.501 1.00 0.00 H new ATOM 0 HB2 MET A 81 22.198 -31.685 22.113 1.00 0.00 H new ATOM 0 HB3 MET A 81 23.205 -32.682 23.145 1.00 0.00 H new ATOM 0 HG2 MET A 81 25.073 -32.048 21.338 1.00 0.00 H new ATOM 0 HG3 MET A 81 24.009 -30.684 21.058 1.00 0.00 H new ATOM 0 HE1 MET A 81 24.186 -28.525 24.109 1.00 0.00 H new ATOM 0 HE2 MET A 81 23.421 -28.933 22.554 1.00 0.00 H new ATOM 0 HE3 MET A 81 22.898 -29.752 24.046 1.00 0.00 H new ATOM 1241 N ARG A 82 21.768 -34.935 22.741 1.00 0.00 N ATOM 1242 CA ARG A 82 21.577 -36.134 23.548 1.00 0.00 C ATOM 1243 C ARG A 82 21.705 -37.391 22.692 1.00 0.00 C ATOM 1244 O ARG A 82 22.315 -38.377 23.106 1.00 0.00 O ATOM 1245 CB ARG A 82 20.206 -36.105 24.227 1.00 0.00 C ATOM 1246 CG ARG A 82 19.055 -35.860 23.265 1.00 0.00 C ATOM 1247 CD ARG A 82 17.785 -35.469 24.004 1.00 0.00 C ATOM 1248 NE ARG A 82 16.640 -36.275 23.589 1.00 0.00 N ATOM 1249 CZ ARG A 82 15.498 -36.331 24.266 1.00 0.00 C ATOM 1250 NH1 ARG A 82 15.350 -35.633 25.383 1.00 0.00 N ATOM 1251 NH2 ARG A 82 14.501 -37.088 23.825 1.00 0.00 N ATOM 0 H ARG A 82 21.024 -34.243 22.831 1.00 0.00 H new ATOM 0 HA ARG A 82 22.354 -36.154 24.313 1.00 0.00 H new ATOM 0 HB2 ARG A 82 20.044 -37.053 24.740 1.00 0.00 H new ATOM 0 HB3 ARG A 82 20.204 -35.326 24.989 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.327 -35.071 22.564 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.873 -36.760 22.677 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.940 -35.584 25.077 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.571 -34.415 23.824 1.00 0.00 H new ATOM 0 HE ARG A 82 16.721 -36.824 22.734 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.114 -35.051 25.725 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.472 -35.678 25.900 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.611 -37.627 22.966 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.625 -37.131 24.345 1.00 0.00 H new