USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 955 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 92 GLN : amide:sc= -0.859 X(o=-3.1,f=-3.4!) USER MOD Set 1.2: B 87 HIS : no HD1:sc= -2.24! C(o=-3.1!,f=-5.3!) USER MOD Set 2.1: A 67 LYS NZ :NH3+ -172:sc=-0.000287 (180deg=-0.0563) USER MOD Set 2.2: A 87 HIS : no HE2:sc= -7.26! C(o=-7.3!,f=-13!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 53 SER OG : rot 180:sc= -0.127 USER MOD Single : A 55 SER OG : rot 88:sc= 1.05 USER MOD Single : A 56 GLN : amide:sc= 0.0191 X(o=0.019,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 64:sc= 1.34 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0027 USER MOD Single : A 72 HIS : no HE2:sc= -2.15! C(o=-2.1!,f=-3.4!) USER MOD Single : A 73 SER OG : rot 77:sc= 0.439 USER MOD Single : A 74 LYS NZ :NH3+ -169:sc= 0.922 (180deg=0.725) USER MOD Single : A 77 LYS NZ :NH3+ -101:sc= -1.2 (180deg=-3.2!) USER MOD Single : A 83 MET CE :methyl 140:sc= -0.277 (180deg=-1.77) USER MOD Single : A 84 THR OG1 : rot 94:sc= 0.989 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.558 K(o=-0.56,f=-3.9!) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= 1.04 K(o=1,f=-0.16) USER MOD Single : B 53 SER OG : rot 80:sc= 1.16 USER MOD Single : B 55 SER OG : rot 84:sc= 0.438 USER MOD Single : B 56 GLN : amide:sc= 0.539 K(o=0.54,f=-3.6!) USER MOD Single : B 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 90:sc= 1.29 USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 LYS NZ :NH3+ -172:sc=-0.00629 (180deg=-0.0838) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 SER OG : rot 85:sc= 1.23 USER MOD Single : B 72 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.3!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.07) USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 MET CE :methyl -171:sc= -0.997 (180deg=-1.24) USER MOD Single : B 84 THR OG1 : rot 95:sc= 0.703 USER MOD Single : B 86 LYS NZ :NH3+ -166:sc= 1.27 (180deg=1.15) USER MOD Single : B 90 ASN : amide:sc= 0.103 K(o=0.1,f=-3.2!) USER MOD Single : B 92 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : B 95 GLN : amide:sc= 0.575 K(o=0.58,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 268 N MET A 42 -18.349 4.480 11.153 1.00 0.00 N ATOM 269 CA MET A 42 -18.456 3.199 10.499 1.00 0.00 C ATOM 270 C MET A 42 -17.183 2.841 9.801 1.00 0.00 C ATOM 271 O MET A 42 -16.763 1.680 9.815 1.00 0.00 O ATOM 272 CB MET A 42 -19.621 3.190 9.535 1.00 0.00 C ATOM 273 CG MET A 42 -20.925 3.392 10.244 1.00 0.00 C ATOM 274 SD MET A 42 -21.269 2.077 11.421 1.00 0.00 S ATOM 275 CE MET A 42 -22.755 2.703 12.179 1.00 0.00 C ATOM 0 HA MET A 42 -18.638 2.444 11.264 1.00 0.00 H new ATOM 0 HB2 MET A 42 -19.485 3.975 8.792 1.00 0.00 H new ATOM 0 HB3 MET A 42 -19.642 2.242 8.997 1.00 0.00 H new ATOM 0 HG2 MET A 42 -20.909 4.349 10.766 1.00 0.00 H new ATOM 0 HG3 MET A 42 -21.731 3.442 9.512 1.00 0.00 H new ATOM 0 HE1 MET A 42 -23.101 2.000 12.937 1.00 0.00 H new ATOM 0 HE2 MET A 42 -22.548 3.666 12.645 1.00 0.00 H new ATOM 0 HE3 MET A 42 -23.527 2.826 11.419 1.00 0.00 H new ATOM 285 N GLU A 43 -16.548 3.823 9.205 1.00 0.00 N ATOM 286 CA GLU A 43 -15.292 3.570 8.534 1.00 0.00 C ATOM 287 C GLU A 43 -14.200 3.311 9.567 1.00 0.00 C ATOM 288 O GLU A 43 -13.309 2.528 9.331 1.00 0.00 O ATOM 289 CB GLU A 43 -14.881 4.703 7.587 1.00 0.00 C ATOM 290 CG GLU A 43 -14.508 5.994 8.276 1.00 0.00 C ATOM 291 CD GLU A 43 -13.865 6.962 7.348 1.00 0.00 C ATOM 292 OE1 GLU A 43 -14.561 7.611 6.548 1.00 0.00 O ATOM 293 OE2 GLU A 43 -12.632 7.077 7.366 1.00 0.00 O ATOM 0 H GLU A 43 -16.872 4.789 9.170 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.429 2.685 7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -14.034 4.369 6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.702 4.899 6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.402 6.445 8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.830 5.780 9.102 1.00 0.00 H new ATOM 300 N LYS A 44 -14.312 3.962 10.725 1.00 0.00 N ATOM 301 CA LYS A 44 -13.368 3.783 11.816 1.00 0.00 C ATOM 302 C LYS A 44 -13.441 2.362 12.362 1.00 0.00 C ATOM 303 O LYS A 44 -12.421 1.717 12.591 1.00 0.00 O ATOM 304 CB LYS A 44 -13.660 4.789 12.918 1.00 0.00 C ATOM 305 CG LYS A 44 -12.731 4.682 14.101 1.00 0.00 C ATOM 306 CD LYS A 44 -12.936 5.819 15.064 1.00 0.00 C ATOM 307 CE LYS A 44 -14.322 5.790 15.692 1.00 0.00 C ATOM 308 NZ LYS A 44 -14.508 6.888 16.652 1.00 0.00 N ATOM 0 H LYS A 44 -15.060 4.626 10.928 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.359 3.950 11.439 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.593 5.796 12.505 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.686 4.652 13.260 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.899 3.735 14.613 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.697 4.678 13.755 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.181 5.770 15.849 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.794 6.766 14.543 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.077 5.859 14.909 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.473 4.836 16.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.464 6.835 17.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.803 6.808 17.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.389 7.799 16.165 1.00 0.00 H new ATOM 322 N ARG A 45 -14.657 1.880 12.541 1.00 0.00 N ATOM 323 CA ARG A 45 -14.899 0.520 13.014 1.00 0.00 C ATOM 324 C ARG A 45 -14.389 -0.494 12.003 1.00 0.00 C ATOM 325 O ARG A 45 -13.826 -1.527 12.366 1.00 0.00 O ATOM 326 CB ARG A 45 -16.386 0.339 13.314 1.00 0.00 C ATOM 327 CG ARG A 45 -16.813 1.128 14.540 1.00 0.00 C ATOM 328 CD ARG A 45 -18.307 1.402 14.589 1.00 0.00 C ATOM 329 NE ARG A 45 -19.147 0.204 14.605 1.00 0.00 N ATOM 330 CZ ARG A 45 -20.364 0.152 15.182 1.00 0.00 C ATOM 331 NH1 ARG A 45 -20.768 1.130 16.002 1.00 0.00 N ATOM 332 NH2 ARG A 45 -21.152 -0.892 14.984 1.00 0.00 N ATOM 0 H ARG A 45 -15.507 2.416 12.364 1.00 0.00 H new ATOM 0 HA ARG A 45 -14.348 0.350 13.939 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.972 0.659 12.453 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -16.600 -0.719 13.469 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -16.522 0.580 15.436 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.276 2.076 14.558 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.525 1.994 15.478 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -18.580 2.009 13.726 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.792 -0.639 14.154 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -20.153 1.921 16.194 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -21.690 1.084 16.435 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -20.839 -1.662 14.393 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -22.072 -0.927 15.423 1.00 0.00 H new ATOM 346 N ARG A 46 -14.549 -0.166 10.736 1.00 0.00 N ATOM 347 CA ARG A 46 -14.033 -0.990 9.658 1.00 0.00 C ATOM 348 C ARG A 46 -12.505 -0.993 9.694 1.00 0.00 C ATOM 349 O ARG A 46 -11.879 -2.031 9.598 1.00 0.00 O ATOM 350 CB ARG A 46 -14.494 -0.455 8.308 1.00 0.00 C ATOM 351 CG ARG A 46 -14.020 -1.291 7.132 1.00 0.00 C ATOM 352 CD ARG A 46 -14.415 -0.670 5.816 1.00 0.00 C ATOM 353 NE ARG A 46 -15.866 -0.575 5.643 1.00 0.00 N ATOM 354 CZ ARG A 46 -16.467 -0.033 4.575 1.00 0.00 C ATOM 355 NH1 ARG A 46 -15.740 0.523 3.608 1.00 0.00 N ATOM 356 NH2 ARG A 46 -17.791 -0.047 4.476 1.00 0.00 N ATOM 0 H ARG A 46 -15.037 0.674 10.425 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.411 -2.004 9.791 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -15.583 -0.410 8.296 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.132 0.566 8.188 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.936 -1.398 7.174 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.442 -2.293 7.204 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.980 0.327 5.745 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.995 -1.260 5.001 1.00 0.00 H new ATOM 0 HE ARG A 46 -16.459 -0.946 6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.723 0.537 3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.200 0.935 2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -18.353 -0.471 5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.246 0.366 3.662 1.00 0.00 H new ATOM 370 N ARG A 47 -11.942 0.184 9.840 1.00 0.00 N ATOM 371 CA ARG A 47 -10.508 0.410 9.880 1.00 0.00 C ATOM 372 C ARG A 47 -9.860 -0.309 11.044 1.00 0.00 C ATOM 373 O ARG A 47 -8.776 -0.888 10.894 1.00 0.00 O ATOM 374 CB ARG A 47 -10.247 1.907 9.883 1.00 0.00 C ATOM 375 CG ARG A 47 -8.803 2.334 9.841 1.00 0.00 C ATOM 376 CD ARG A 47 -8.715 3.803 9.453 1.00 0.00 C ATOM 377 NE ARG A 47 -9.506 4.687 10.330 1.00 0.00 N ATOM 378 CZ ARG A 47 -10.457 5.541 9.898 1.00 0.00 C ATOM 379 NH1 ARG A 47 -10.841 5.530 8.619 1.00 0.00 N ATOM 380 NH2 ARG A 47 -11.032 6.383 10.750 1.00 0.00 N ATOM 0 H ARG A 47 -12.484 1.042 9.938 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.044 -0.015 8.990 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.758 2.345 9.026 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.703 2.332 10.777 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.338 2.176 10.814 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.254 1.725 9.123 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.671 4.116 9.479 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.058 3.921 8.425 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.321 4.650 11.332 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.415 4.874 7.964 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.560 6.177 8.297 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.755 6.384 11.732 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.751 7.028 10.422 1.00 0.00 H new ATOM 394 N ALA A 48 -10.533 -0.303 12.183 1.00 0.00 N ATOM 395 CA ALA A 48 -10.097 -1.043 13.329 1.00 0.00 C ATOM 396 C ALA A 48 -9.988 -2.509 12.952 1.00 0.00 C ATOM 397 O ALA A 48 -8.957 -3.130 13.191 1.00 0.00 O ATOM 398 CB ALA A 48 -11.053 -0.850 14.498 1.00 0.00 C ATOM 0 H ALA A 48 -11.397 0.220 12.327 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.121 -0.677 13.647 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.699 -1.422 15.356 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.098 0.207 14.761 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.047 -1.196 14.216 1.00 0.00 H new ATOM 404 N ARG A 49 -11.029 -3.021 12.286 1.00 0.00 N ATOM 405 CA ARG A 49 -11.060 -4.408 11.812 1.00 0.00 C ATOM 406 C ARG A 49 -9.923 -4.675 10.831 1.00 0.00 C ATOM 407 O ARG A 49 -9.293 -5.696 10.901 1.00 0.00 O ATOM 408 CB ARG A 49 -12.387 -4.748 11.125 1.00 0.00 C ATOM 409 CG ARG A 49 -13.613 -4.788 12.017 1.00 0.00 C ATOM 410 CD ARG A 49 -14.854 -5.103 11.184 1.00 0.00 C ATOM 411 NE ARG A 49 -14.692 -6.354 10.413 1.00 0.00 N ATOM 412 CZ ARG A 49 -15.370 -6.696 9.296 1.00 0.00 C ATOM 413 NH1 ARG A 49 -16.348 -5.920 8.841 1.00 0.00 N ATOM 414 NH2 ARG A 49 -15.070 -7.836 8.661 1.00 0.00 N ATOM 0 H ARG A 49 -11.869 -2.488 12.062 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.946 -5.038 12.694 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.561 -4.016 10.336 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.283 -5.719 10.642 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.484 -5.543 12.793 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.737 -3.830 12.522 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.720 -5.189 11.840 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.053 -4.277 10.501 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.003 -7.022 10.757 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.590 -5.061 9.336 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.857 -6.183 7.997 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.332 -8.442 9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.579 -8.099 7.817 1.00 0.00 H new ATOM 428 N ILE A 50 -9.683 -3.733 9.916 1.00 0.00 N ATOM 429 CA ILE A 50 -8.608 -3.834 8.921 1.00 0.00 C ATOM 430 C ILE A 50 -7.256 -4.082 9.602 1.00 0.00 C ATOM 431 O ILE A 50 -6.565 -5.053 9.299 1.00 0.00 O ATOM 432 CB ILE A 50 -8.544 -2.534 8.060 1.00 0.00 C ATOM 433 CG1 ILE A 50 -9.853 -2.375 7.275 1.00 0.00 C ATOM 434 CG2 ILE A 50 -7.335 -2.542 7.118 1.00 0.00 C ATOM 435 CD1 ILE A 50 -9.988 -1.082 6.508 1.00 0.00 C ATOM 0 H ILE A 50 -10.230 -2.875 9.842 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.825 -4.680 8.269 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.422 -1.681 8.727 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.941 -3.206 6.575 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.688 -2.455 7.971 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.323 -1.622 6.534 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.418 -2.613 7.703 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.403 -3.397 6.446 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.946 -1.066 5.988 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.937 -0.241 7.200 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.179 -1.004 5.782 1.00 0.00 H new ATOM 447 N ASN A 51 -6.932 -3.244 10.552 1.00 0.00 N ATOM 448 CA ASN A 51 -5.653 -3.324 11.273 1.00 0.00 C ATOM 449 C ASN A 51 -5.569 -4.586 12.080 1.00 0.00 C ATOM 450 O ASN A 51 -4.561 -5.290 12.035 1.00 0.00 O ATOM 451 CB ASN A 51 -5.478 -2.107 12.170 1.00 0.00 C ATOM 452 CG ASN A 51 -5.497 -0.817 11.389 1.00 0.00 C ATOM 453 OD1 ASN A 51 -5.035 -0.749 10.254 1.00 0.00 O ATOM 454 ND2 ASN A 51 -6.075 0.196 11.955 1.00 0.00 N ATOM 0 H ASN A 51 -7.535 -2.481 10.860 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.847 -3.339 10.539 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.273 -2.090 12.916 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.535 -2.189 12.711 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.156 1.082 11.455 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.449 0.107 12.900 1.00 0.00 H new ATOM 461 N GLU A 52 -6.639 -4.899 12.781 1.00 0.00 N ATOM 462 CA GLU A 52 -6.692 -6.117 13.603 1.00 0.00 C ATOM 463 C GLU A 52 -6.590 -7.391 12.731 1.00 0.00 C ATOM 464 O GLU A 52 -5.965 -8.388 13.126 1.00 0.00 O ATOM 465 CB GLU A 52 -7.976 -6.174 14.450 1.00 0.00 C ATOM 466 CG GLU A 52 -8.179 -5.000 15.409 1.00 0.00 C ATOM 467 CD GLU A 52 -7.053 -4.831 16.410 1.00 0.00 C ATOM 468 OE1 GLU A 52 -7.104 -5.446 17.489 1.00 0.00 O ATOM 469 OE2 GLU A 52 -6.109 -4.048 16.149 1.00 0.00 O ATOM 0 H GLU A 52 -7.489 -4.336 12.806 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.834 -6.079 14.274 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.833 -6.225 13.778 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.969 -7.098 15.029 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.280 -4.082 14.830 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.115 -5.141 15.949 1.00 0.00 H new ATOM 476 N SER A 53 -7.168 -7.341 11.543 1.00 0.00 N ATOM 477 CA SER A 53 -7.189 -8.461 10.662 1.00 0.00 C ATOM 478 C SER A 53 -5.813 -8.636 10.031 1.00 0.00 C ATOM 479 O SER A 53 -5.246 -9.707 10.089 1.00 0.00 O ATOM 480 CB SER A 53 -8.284 -8.261 9.593 1.00 0.00 C ATOM 481 OG SER A 53 -8.473 -9.405 8.785 1.00 0.00 O ATOM 0 H SER A 53 -7.634 -6.512 11.175 1.00 0.00 H new ATOM 0 HA SER A 53 -7.425 -9.369 11.216 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.224 -8.009 10.084 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.018 -7.414 8.960 1.00 0.00 H new ATOM 0 HG SER A 53 -9.177 -9.228 8.126 1.00 0.00 H new ATOM 487 N LEU A 54 -5.252 -7.544 9.514 1.00 0.00 N ATOM 488 CA LEU A 54 -3.960 -7.548 8.835 1.00 0.00 C ATOM 489 C LEU A 54 -2.850 -7.984 9.806 1.00 0.00 C ATOM 490 O LEU A 54 -1.902 -8.694 9.437 1.00 0.00 O ATOM 491 CB LEU A 54 -3.691 -6.130 8.319 1.00 0.00 C ATOM 492 CG LEU A 54 -2.815 -5.980 7.062 1.00 0.00 C ATOM 493 CD1 LEU A 54 -2.884 -4.557 6.550 1.00 0.00 C ATOM 494 CD2 LEU A 54 -1.366 -6.363 7.316 1.00 0.00 C ATOM 0 H LEU A 54 -5.687 -6.623 9.556 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.973 -8.253 8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.653 -5.659 8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.223 -5.564 9.124 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.208 -6.666 6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.261 -4.460 5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.916 -4.310 6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.525 -3.875 7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.791 -6.240 6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.951 -5.722 8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.316 -7.403 7.639 1.00 0.00 H new ATOM 506 N SER A 55 -2.982 -7.577 11.031 1.00 0.00 N ATOM 507 CA SER A 55 -2.029 -7.915 12.034 1.00 0.00 C ATOM 508 C SER A 55 -2.060 -9.434 12.383 1.00 0.00 C ATOM 509 O SER A 55 -1.001 -10.082 12.475 1.00 0.00 O ATOM 510 CB SER A 55 -2.234 -6.999 13.226 1.00 0.00 C ATOM 511 OG SER A 55 -1.966 -5.648 12.847 1.00 0.00 O ATOM 0 H SER A 55 -3.756 -7.000 11.361 1.00 0.00 H new ATOM 0 HA SER A 55 -1.018 -7.751 11.660 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.256 -7.088 13.593 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.575 -7.295 14.042 1.00 0.00 H new ATOM 0 HG SER A 55 -2.783 -5.240 12.491 1.00 0.00 H new ATOM 517 N GLN A 56 -3.243 -10.026 12.507 1.00 0.00 N ATOM 518 CA GLN A 56 -3.307 -11.466 12.781 1.00 0.00 C ATOM 519 C GLN A 56 -2.935 -12.255 11.508 1.00 0.00 C ATOM 520 O GLN A 56 -2.341 -13.336 11.582 1.00 0.00 O ATOM 521 CB GLN A 56 -4.676 -11.888 13.336 1.00 0.00 C ATOM 522 CG GLN A 56 -5.830 -11.771 12.360 1.00 0.00 C ATOM 523 CD GLN A 56 -7.153 -12.106 12.988 1.00 0.00 C ATOM 524 OE1 GLN A 56 -7.580 -13.264 13.005 1.00 0.00 O ATOM 525 NE2 GLN A 56 -7.814 -11.114 13.501 1.00 0.00 N ATOM 0 H GLN A 56 -4.144 -9.555 12.427 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.581 -11.700 13.560 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.610 -12.922 13.674 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.899 -11.279 14.212 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.866 -10.756 11.965 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.655 -12.436 11.514 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.427 -10.171 13.467 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.721 -11.277 13.938 1.00 0.00 H new ATOM 534 N LEU A 57 -3.262 -11.650 10.365 1.00 0.00 N ATOM 535 CA LEU A 57 -2.955 -12.128 9.010 1.00 0.00 C ATOM 536 C LEU A 57 -1.454 -12.450 8.913 1.00 0.00 C ATOM 537 O LEU A 57 -1.068 -13.599 8.711 1.00 0.00 O ATOM 538 CB LEU A 57 -3.420 -10.954 8.051 1.00 0.00 C ATOM 539 CG LEU A 57 -3.192 -10.909 6.517 1.00 0.00 C ATOM 540 CD1 LEU A 57 -1.750 -10.877 6.120 1.00 0.00 C ATOM 541 CD2 LEU A 57 -3.954 -11.970 5.780 1.00 0.00 C ATOM 0 H LEU A 57 -3.774 -10.768 10.356 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.466 -13.051 8.736 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.496 -10.859 8.196 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.964 -10.047 8.447 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.606 -9.950 6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.672 -10.846 5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.276 -9.991 6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.250 -11.770 6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.753 -11.887 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.642 -12.953 6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.022 -11.842 5.960 1.00 0.00 H new ATOM 553 N LYS A 58 -0.628 -11.447 9.158 1.00 0.00 N ATOM 554 CA LYS A 58 0.831 -11.607 9.109 1.00 0.00 C ATOM 555 C LYS A 58 1.339 -12.570 10.195 1.00 0.00 C ATOM 556 O LYS A 58 2.322 -13.289 9.986 1.00 0.00 O ATOM 557 CB LYS A 58 1.559 -10.244 9.238 1.00 0.00 C ATOM 558 CG LYS A 58 1.401 -9.572 10.593 1.00 0.00 C ATOM 559 CD LYS A 58 2.178 -8.274 10.698 1.00 0.00 C ATOM 560 CE LYS A 58 2.095 -7.719 12.115 1.00 0.00 C ATOM 561 NZ LYS A 58 2.817 -6.439 12.260 1.00 0.00 N ATOM 0 H LYS A 58 -0.937 -10.504 9.395 1.00 0.00 H new ATOM 0 HA LYS A 58 1.061 -12.036 8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.621 -10.393 9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.184 -9.571 8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.345 -9.374 10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.736 -10.255 11.374 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.220 -8.444 10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.780 -7.546 9.991 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.049 -7.576 12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.508 -8.447 12.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.732 -6.102 13.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.821 -6.579 12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.407 -5.734 11.614 1.00 0.00 H new ATOM 575 N THR A 59 0.661 -12.586 11.340 1.00 0.00 N ATOM 576 CA THR A 59 1.070 -13.403 12.456 1.00 0.00 C ATOM 577 C THR A 59 0.948 -14.892 12.142 1.00 0.00 C ATOM 578 O THR A 59 1.930 -15.630 12.218 1.00 0.00 O ATOM 579 CB THR A 59 0.250 -13.061 13.715 1.00 0.00 C ATOM 580 OG1 THR A 59 0.454 -11.673 14.046 1.00 0.00 O ATOM 581 CG2 THR A 59 0.682 -13.918 14.896 1.00 0.00 C ATOM 0 H THR A 59 -0.180 -12.034 11.510 1.00 0.00 H new ATOM 0 HA THR A 59 2.121 -13.184 12.646 1.00 0.00 H new ATOM 0 HB THR A 59 -0.802 -13.256 13.508 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.097 -11.110 13.328 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.088 -13.657 15.772 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.531 -14.971 14.656 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.737 -13.741 15.107 1.00 0.00 H new ATOM 589 N LEU A 60 -0.229 -15.312 11.726 1.00 0.00 N ATOM 590 CA LEU A 60 -0.484 -16.720 11.504 1.00 0.00 C ATOM 591 C LEU A 60 0.306 -17.223 10.300 1.00 0.00 C ATOM 592 O LEU A 60 0.767 -18.361 10.277 1.00 0.00 O ATOM 593 CB LEU A 60 -1.979 -16.966 11.346 1.00 0.00 C ATOM 594 CG LEU A 60 -2.866 -16.454 12.492 1.00 0.00 C ATOM 595 CD1 LEU A 60 -4.316 -16.780 12.232 1.00 0.00 C ATOM 596 CD2 LEU A 60 -2.419 -17.012 13.836 1.00 0.00 C ATOM 0 H LEU A 60 -1.022 -14.700 11.535 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.146 -17.285 12.373 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.309 -16.497 10.419 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.142 -18.038 11.237 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.759 -15.370 12.534 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.926 -16.409 13.056 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.634 -16.307 11.303 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.437 -17.860 12.149 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.068 -16.629 14.623 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.477 -18.100 13.815 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.391 -16.707 14.033 1.00 0.00 H new ATOM 608 N ILE A 61 0.491 -16.345 9.334 1.00 0.00 N ATOM 609 CA ILE A 61 1.307 -16.618 8.162 1.00 0.00 C ATOM 610 C ILE A 61 2.769 -16.878 8.557 1.00 0.00 C ATOM 611 O ILE A 61 3.397 -17.874 8.109 1.00 0.00 O ATOM 612 CB ILE A 61 1.191 -15.442 7.144 1.00 0.00 C ATOM 613 CG1 ILE A 61 -0.131 -15.515 6.382 1.00 0.00 C ATOM 614 CG2 ILE A 61 2.369 -15.340 6.192 1.00 0.00 C ATOM 615 CD1 ILE A 61 -0.283 -16.754 5.507 1.00 0.00 C ATOM 0 H ILE A 61 0.076 -15.413 9.338 1.00 0.00 H new ATOM 0 HA ILE A 61 0.937 -17.523 7.681 1.00 0.00 H new ATOM 0 HB ILE A 61 1.210 -14.526 7.734 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.952 -15.488 7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.225 -14.628 5.755 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.218 -14.500 5.514 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.285 -15.186 6.762 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.451 -16.261 5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.249 -16.727 5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.514 -16.775 4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.224 -17.648 6.128 1.00 0.00 H new ATOM 627 N LEU A 62 3.300 -16.031 9.420 1.00 0.00 N ATOM 628 CA LEU A 62 4.659 -16.180 9.839 1.00 0.00 C ATOM 629 C LEU A 62 4.828 -17.374 10.737 1.00 0.00 C ATOM 630 O LEU A 62 5.832 -18.000 10.711 1.00 0.00 O ATOM 631 CB LEU A 62 5.172 -14.978 10.554 1.00 0.00 C ATOM 632 CG LEU A 62 6.679 -14.964 10.594 1.00 0.00 C ATOM 633 CD1 LEU A 62 7.277 -14.398 9.314 1.00 0.00 C ATOM 634 CD2 LEU A 62 7.173 -14.300 11.804 1.00 0.00 C ATOM 0 H LEU A 62 2.805 -15.242 9.835 1.00 0.00 H new ATOM 0 HA LEU A 62 5.235 -16.316 8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.811 -14.077 10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.779 -14.962 11.571 1.00 0.00 H new ATOM 0 HG LEU A 62 7.021 -15.998 10.647 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.365 -14.406 9.386 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.965 -15.007 8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.931 -13.374 9.172 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.263 -14.306 11.803 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.816 -13.270 11.826 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.808 -14.829 12.684 1.00 0.00 H new ATOM 646 N ASP A 63 3.826 -17.692 11.499 1.00 0.00 N ATOM 647 CA ASP A 63 3.890 -18.812 12.458 1.00 0.00 C ATOM 648 C ASP A 63 3.830 -20.144 11.759 1.00 0.00 C ATOM 649 O ASP A 63 4.316 -21.150 12.263 1.00 0.00 O ATOM 650 CB ASP A 63 2.722 -18.732 13.358 1.00 0.00 C ATOM 651 CG ASP A 63 2.798 -19.679 14.541 1.00 0.00 C ATOM 652 OD1 ASP A 63 3.565 -19.407 15.485 1.00 0.00 O ATOM 653 OD2 ASP A 63 2.051 -20.695 14.561 1.00 0.00 O ATOM 0 H ASP A 63 2.933 -17.199 11.493 1.00 0.00 H new ATOM 0 HA ASP A 63 4.832 -18.735 13.002 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.628 -17.711 13.727 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.819 -18.949 12.787 1.00 0.00 H new ATOM 658 N ALA A 64 3.206 -20.150 10.618 1.00 0.00 N ATOM 659 CA ALA A 64 3.057 -21.335 9.845 1.00 0.00 C ATOM 660 C ALA A 64 4.368 -21.680 9.169 1.00 0.00 C ATOM 661 O ALA A 64 4.775 -22.832 9.141 1.00 0.00 O ATOM 662 CB ALA A 64 1.946 -21.144 8.829 1.00 0.00 C ATOM 0 H ALA A 64 2.784 -19.321 10.199 1.00 0.00 H new ATOM 0 HA ALA A 64 2.786 -22.166 10.496 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.833 -22.053 8.238 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.011 -20.930 9.348 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.194 -20.311 8.171 1.00 0.00 H new ATOM 668 N LEU A 65 5.054 -20.665 8.663 1.00 0.00 N ATOM 669 CA LEU A 65 6.302 -20.918 7.936 1.00 0.00 C ATOM 670 C LEU A 65 7.570 -20.584 8.697 1.00 0.00 C ATOM 671 O LEU A 65 8.600 -21.213 8.477 1.00 0.00 O ATOM 672 CB LEU A 65 6.299 -20.344 6.522 1.00 0.00 C ATOM 673 CG LEU A 65 5.396 -21.102 5.524 1.00 0.00 C ATOM 674 CD1 LEU A 65 3.909 -20.851 5.744 1.00 0.00 C ATOM 675 CD2 LEU A 65 5.805 -20.857 4.088 1.00 0.00 C ATOM 0 H LEU A 65 4.783 -19.684 8.735 1.00 0.00 H new ATOM 0 HA LEU A 65 6.326 -22.003 7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.976 -19.304 6.567 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.320 -20.345 6.141 1.00 0.00 H new ATOM 0 HG LEU A 65 5.553 -22.161 5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.333 -21.413 5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.630 -21.173 6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.699 -19.787 5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.143 -21.410 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.736 -19.792 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.831 -21.193 3.940 1.00 0.00 H new ATOM 687 N LYS A 66 7.496 -19.598 9.568 1.00 0.00 N ATOM 688 CA LYS A 66 8.586 -19.215 10.467 1.00 0.00 C ATOM 689 C LYS A 66 9.875 -18.881 9.733 1.00 0.00 C ATOM 690 O LYS A 66 10.913 -19.529 9.904 1.00 0.00 O ATOM 691 CB LYS A 66 8.759 -20.278 11.542 1.00 0.00 C ATOM 692 CG LYS A 66 7.558 -20.365 12.490 1.00 0.00 C ATOM 693 CD LYS A 66 7.422 -21.747 13.098 1.00 0.00 C ATOM 694 CE LYS A 66 6.950 -22.758 12.043 1.00 0.00 C ATOM 695 NZ LYS A 66 6.707 -24.097 12.616 1.00 0.00 N ATOM 0 H LYS A 66 6.661 -19.023 9.679 1.00 0.00 H new ATOM 0 HA LYS A 66 8.313 -18.282 10.959 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.912 -21.247 11.067 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.657 -20.061 12.120 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.668 -19.627 13.285 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.647 -20.115 11.947 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.380 -22.064 13.511 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.712 -21.718 13.925 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.034 -22.393 11.578 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.699 -22.833 11.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.390 -24.744 11.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.586 -24.459 13.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.973 -24.033 13.350 1.00 0.00 H new ATOM 709 N LYS A 67 9.767 -17.896 8.864 1.00 0.00 N ATOM 710 CA LYS A 67 10.898 -17.398 8.100 1.00 0.00 C ATOM 711 C LYS A 67 11.931 -16.746 9.029 1.00 0.00 C ATOM 712 O LYS A 67 12.987 -17.321 9.292 1.00 0.00 O ATOM 713 CB LYS A 67 10.422 -16.383 7.055 1.00 0.00 C ATOM 714 CG LYS A 67 9.423 -16.935 6.045 1.00 0.00 C ATOM 715 CD LYS A 67 9.006 -15.856 5.056 1.00 0.00 C ATOM 716 CE LYS A 67 8.025 -16.380 4.020 1.00 0.00 C ATOM 717 NZ LYS A 67 8.616 -17.409 3.132 1.00 0.00 N ATOM 0 H LYS A 67 8.890 -17.415 8.666 1.00 0.00 H new ATOM 0 HA LYS A 67 11.368 -18.240 7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.968 -15.536 7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.290 -16.001 6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.866 -17.775 5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.545 -17.317 6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.553 -15.025 5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.890 -15.465 4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.158 -16.802 4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.666 -15.548 3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.949 -17.630 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.503 -17.049 2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.811 -18.271 3.681 1.00 0.00 H new ATOM 731 N ASP A 68 11.581 -15.571 9.545 1.00 0.00 N ATOM 732 CA ASP A 68 12.431 -14.778 10.445 1.00 0.00 C ATOM 733 C ASP A 68 11.593 -13.766 11.163 1.00 0.00 C ATOM 734 O ASP A 68 10.652 -13.210 10.584 1.00 0.00 O ATOM 735 CB ASP A 68 13.552 -14.010 9.699 1.00 0.00 C ATOM 736 CG ASP A 68 14.860 -14.753 9.552 1.00 0.00 C ATOM 737 OD1 ASP A 68 15.619 -14.861 10.549 1.00 0.00 O ATOM 738 OD2 ASP A 68 15.182 -15.205 8.443 1.00 0.00 O ATOM 0 H ASP A 68 10.682 -15.130 9.349 1.00 0.00 H new ATOM 0 HA ASP A 68 12.895 -15.485 11.132 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.189 -13.747 8.705 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.742 -13.075 10.227 1.00 0.00 H new ATOM 743 N SER A 69 11.940 -13.503 12.395 1.00 0.00 N ATOM 744 CA SER A 69 11.267 -12.511 13.194 1.00 0.00 C ATOM 745 C SER A 69 11.775 -11.131 12.767 1.00 0.00 C ATOM 746 O SER A 69 11.021 -10.139 12.746 1.00 0.00 O ATOM 747 CB SER A 69 11.545 -12.765 14.688 1.00 0.00 C ATOM 748 OG SER A 69 10.839 -11.854 15.518 1.00 0.00 O ATOM 0 H SER A 69 12.705 -13.975 12.877 1.00 0.00 H new ATOM 0 HA SER A 69 10.189 -12.564 13.044 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.259 -13.785 14.943 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.615 -12.677 14.879 1.00 0.00 H new ATOM 0 HG SER A 69 11.038 -12.046 16.458 1.00 0.00 H new ATOM 754 N SER A 70 13.045 -11.091 12.370 1.00 0.00 N ATOM 755 CA SER A 70 13.672 -9.879 11.891 1.00 0.00 C ATOM 756 C SER A 70 12.936 -9.358 10.652 1.00 0.00 C ATOM 757 O SER A 70 12.543 -8.199 10.593 1.00 0.00 O ATOM 758 CB SER A 70 15.131 -10.179 11.564 1.00 0.00 C ATOM 759 OG SER A 70 15.757 -10.839 12.663 1.00 0.00 O ATOM 0 H SER A 70 13.662 -11.903 12.375 1.00 0.00 H new ATOM 0 HA SER A 70 13.624 -9.107 12.659 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.190 -10.804 10.673 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.659 -9.252 11.339 1.00 0.00 H new ATOM 0 HG SER A 70 16.693 -11.028 12.441 1.00 0.00 H new ATOM 765 N ARG A 71 12.662 -10.257 9.705 1.00 0.00 N ATOM 766 CA ARG A 71 12.011 -9.866 8.473 1.00 0.00 C ATOM 767 C ARG A 71 10.525 -9.639 8.682 1.00 0.00 C ATOM 768 O ARG A 71 9.891 -8.984 7.894 1.00 0.00 O ATOM 769 CB ARG A 71 12.361 -10.830 7.312 1.00 0.00 C ATOM 770 CG ARG A 71 11.694 -12.209 7.286 1.00 0.00 C ATOM 771 CD ARG A 71 10.439 -12.179 6.432 1.00 0.00 C ATOM 772 NE ARG A 71 10.745 -11.639 5.098 1.00 0.00 N ATOM 773 CZ ARG A 71 9.853 -11.143 4.240 1.00 0.00 C ATOM 774 NH1 ARG A 71 8.566 -11.460 4.337 1.00 0.00 N ATOM 775 NH2 ARG A 71 10.259 -10.399 3.229 1.00 0.00 N ATOM 0 H ARG A 71 12.882 -11.251 9.775 1.00 0.00 H new ATOM 0 HA ARG A 71 12.406 -8.899 8.161 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.118 -10.326 6.377 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.440 -10.983 7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.391 -12.949 6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.443 -12.517 8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.029 -13.185 6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.677 -11.567 6.914 1.00 0.00 H new ATOM 0 HE ARG A 71 11.722 -11.645 4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.250 -12.090 5.074 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.894 -11.073 3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.253 -10.205 3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.579 -10.018 2.571 1.00 0.00 H new ATOM 789 N HIS A 72 9.998 -10.142 9.799 1.00 0.00 N ATOM 790 CA HIS A 72 8.611 -9.884 10.183 1.00 0.00 C ATOM 791 C HIS A 72 8.498 -8.424 10.636 1.00 0.00 C ATOM 792 O HIS A 72 7.488 -7.755 10.429 1.00 0.00 O ATOM 793 CB HIS A 72 8.172 -10.837 11.319 1.00 0.00 C ATOM 794 CG HIS A 72 6.731 -10.668 11.778 1.00 0.00 C ATOM 795 ND1 HIS A 72 5.671 -11.397 11.280 1.00 0.00 N ATOM 796 CD2 HIS A 72 6.199 -9.846 12.724 1.00 0.00 C ATOM 797 CE1 HIS A 72 4.565 -11.011 11.916 1.00 0.00 C ATOM 798 NE2 HIS A 72 4.824 -10.072 12.803 1.00 0.00 N ATOM 0 H HIS A 72 10.512 -10.731 10.454 1.00 0.00 H new ATOM 0 HA HIS A 72 7.955 -10.061 9.331 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.313 -11.865 10.986 1.00 0.00 H new ATOM 0 HB3 HIS A 72 8.830 -10.686 12.175 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.724 -12.108 10.551 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.752 -9.133 13.318 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.582 -11.416 11.728 1.00 0.00 H new ATOM 806 N SER A 73 9.575 -7.933 11.189 1.00 0.00 N ATOM 807 CA SER A 73 9.643 -6.588 11.693 1.00 0.00 C ATOM 808 C SER A 73 10.158 -5.633 10.604 1.00 0.00 C ATOM 809 O SER A 73 10.461 -4.472 10.860 1.00 0.00 O ATOM 810 CB SER A 73 10.540 -6.575 12.927 1.00 0.00 C ATOM 811 OG SER A 73 10.062 -7.531 13.888 1.00 0.00 O ATOM 0 H SER A 73 10.439 -8.462 11.303 1.00 0.00 H new ATOM 0 HA SER A 73 8.649 -6.241 11.977 1.00 0.00 H new ATOM 0 HB2 SER A 73 11.566 -6.812 12.644 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.553 -5.578 13.368 1.00 0.00 H new ATOM 0 HG SER A 73 10.322 -8.434 13.609 1.00 0.00 H new ATOM 817 N LYS A 74 10.232 -6.137 9.396 1.00 0.00 N ATOM 818 CA LYS A 74 10.656 -5.366 8.242 1.00 0.00 C ATOM 819 C LYS A 74 9.622 -5.606 7.143 1.00 0.00 C ATOM 820 O LYS A 74 9.872 -5.448 5.939 1.00 0.00 O ATOM 821 CB LYS A 74 12.084 -5.805 7.806 1.00 0.00 C ATOM 822 CG LYS A 74 12.755 -5.028 6.629 1.00 0.00 C ATOM 823 CD LYS A 74 12.941 -3.521 6.904 1.00 0.00 C ATOM 824 CE LYS A 74 11.682 -2.709 6.589 1.00 0.00 C ATOM 825 NZ LYS A 74 11.375 -2.707 5.147 1.00 0.00 N ATOM 0 H LYS A 74 9.998 -7.106 9.179 1.00 0.00 H new ATOM 0 HA LYS A 74 10.712 -4.301 8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.738 -5.728 8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.041 -6.859 7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.728 -5.473 6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.149 -5.152 5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.211 -3.376 7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.771 -3.145 6.306 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.837 -3.122 7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.816 -1.683 6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.635 -2.003 4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.233 -2.467 4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.041 -3.650 4.862 1.00 0.00 H new ATOM 839 N LEU A 75 8.445 -5.953 7.581 1.00 0.00 N ATOM 840 CA LEU A 75 7.374 -6.259 6.708 1.00 0.00 C ATOM 841 C LEU A 75 6.660 -5.047 6.216 1.00 0.00 C ATOM 842 O LEU A 75 6.050 -4.290 6.977 1.00 0.00 O ATOM 843 CB LEU A 75 6.411 -7.253 7.321 1.00 0.00 C ATOM 844 CG LEU A 75 6.883 -8.689 7.344 1.00 0.00 C ATOM 845 CD1 LEU A 75 5.866 -9.611 7.998 1.00 0.00 C ATOM 846 CD2 LEU A 75 7.206 -9.159 5.945 1.00 0.00 C ATOM 0 H LEU A 75 8.211 -6.029 8.571 1.00 0.00 H new ATOM 0 HA LEU A 75 7.826 -6.730 5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.198 -6.943 8.344 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.471 -7.207 6.772 1.00 0.00 H new ATOM 0 HG LEU A 75 7.790 -8.727 7.948 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.245 -10.633 7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.694 -9.292 9.026 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.928 -9.570 7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.544 -10.195 5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.314 -9.088 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.993 -8.533 5.524 1.00 0.00 H new ATOM 858 N GLU A 76 6.762 -4.878 4.949 1.00 0.00 N ATOM 859 CA GLU A 76 6.085 -3.849 4.233 1.00 0.00 C ATOM 860 C GLU A 76 4.664 -4.338 4.054 1.00 0.00 C ATOM 861 O GLU A 76 4.449 -5.547 3.991 1.00 0.00 O ATOM 862 CB GLU A 76 6.729 -3.728 2.860 1.00 0.00 C ATOM 863 CG GLU A 76 8.231 -3.558 2.907 1.00 0.00 C ATOM 864 CD GLU A 76 8.638 -2.195 3.342 1.00 0.00 C ATOM 865 OE1 GLU A 76 8.655 -1.283 2.503 1.00 0.00 O ATOM 866 OE2 GLU A 76 8.955 -1.998 4.513 1.00 0.00 O ATOM 0 H GLU A 76 7.340 -5.473 4.355 1.00 0.00 H new ATOM 0 HA GLU A 76 6.125 -2.889 4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.491 -4.618 2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.292 -2.877 2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.655 -4.295 3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.647 -3.760 1.920 1.00 0.00 H new ATOM 873 N LYS A 77 3.710 -3.447 3.967 1.00 0.00 N ATOM 874 CA LYS A 77 2.325 -3.836 3.747 1.00 0.00 C ATOM 875 C LYS A 77 2.181 -4.720 2.500 1.00 0.00 C ATOM 876 O LYS A 77 1.504 -5.741 2.518 1.00 0.00 O ATOM 877 CB LYS A 77 1.439 -2.598 3.675 1.00 0.00 C ATOM 878 CG LYS A 77 -0.006 -2.895 3.357 1.00 0.00 C ATOM 879 CD LYS A 77 -0.986 -1.820 3.849 1.00 0.00 C ATOM 880 CE LYS A 77 -1.053 -1.700 5.390 1.00 0.00 C ATOM 881 NZ LYS A 77 0.029 -0.877 6.006 1.00 0.00 N ATOM 0 H LYS A 77 3.860 -2.441 4.044 1.00 0.00 H new ATOM 0 HA LYS A 77 1.995 -4.438 4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.490 -2.072 4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.836 -1.923 2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.115 -3.005 2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.277 -3.851 3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.695 -0.857 3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.982 -2.046 3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.016 -1.270 5.664 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.016 -2.701 5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.758 -1.503 6.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.456 -0.266 5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.372 -0.287 6.763 1.00 0.00 H new ATOM 895 N ALA A 78 2.884 -4.351 1.470 1.00 0.00 N ATOM 896 CA ALA A 78 2.906 -5.109 0.227 1.00 0.00 C ATOM 897 C ALA A 78 3.603 -6.470 0.409 1.00 0.00 C ATOM 898 O ALA A 78 3.281 -7.432 -0.282 1.00 0.00 O ATOM 899 CB ALA A 78 3.595 -4.306 -0.856 1.00 0.00 C ATOM 0 H ALA A 78 3.466 -3.513 1.456 1.00 0.00 H new ATOM 0 HA ALA A 78 1.875 -5.302 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.607 -4.880 -1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.056 -3.372 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.618 -4.087 -0.551 1.00 0.00 H new ATOM 905 N ASP A 79 4.507 -6.550 1.382 1.00 0.00 N ATOM 906 CA ASP A 79 5.284 -7.776 1.637 1.00 0.00 C ATOM 907 C ASP A 79 4.373 -8.766 2.307 1.00 0.00 C ATOM 908 O ASP A 79 4.259 -9.910 1.895 1.00 0.00 O ATOM 909 CB ASP A 79 6.487 -7.477 2.556 1.00 0.00 C ATOM 910 CG ASP A 79 7.554 -8.568 2.550 1.00 0.00 C ATOM 911 OD1 ASP A 79 7.243 -9.755 2.775 1.00 0.00 O ATOM 912 OD2 ASP A 79 8.737 -8.247 2.293 1.00 0.00 O ATOM 0 H ASP A 79 4.726 -5.780 2.014 1.00 0.00 H new ATOM 0 HA ASP A 79 5.667 -8.173 0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.942 -6.535 2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.128 -7.339 3.576 1.00 0.00 H new ATOM 917 N ILE A 80 3.671 -8.265 3.291 1.00 0.00 N ATOM 918 CA ILE A 80 2.721 -9.017 4.092 1.00 0.00 C ATOM 919 C ILE A 80 1.621 -9.618 3.218 1.00 0.00 C ATOM 920 O ILE A 80 1.358 -10.830 3.281 1.00 0.00 O ATOM 921 CB ILE A 80 2.103 -8.083 5.152 1.00 0.00 C ATOM 922 CG1 ILE A 80 3.213 -7.528 6.026 1.00 0.00 C ATOM 923 CG2 ILE A 80 1.091 -8.827 5.994 1.00 0.00 C ATOM 924 CD1 ILE A 80 2.830 -6.337 6.861 1.00 0.00 C ATOM 0 H ILE A 80 3.743 -7.287 3.572 1.00 0.00 H new ATOM 0 HA ILE A 80 3.245 -9.837 4.582 1.00 0.00 H new ATOM 0 HB ILE A 80 1.585 -7.264 4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.563 -8.320 6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.053 -7.251 5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.667 -8.150 6.736 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.295 -9.209 5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.580 -9.659 6.500 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.689 -6.014 7.450 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.510 -5.524 6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.013 -6.609 7.530 1.00 0.00 H new ATOM 936 N LEU A 81 1.004 -8.780 2.396 1.00 0.00 N ATOM 937 CA LEU A 81 -0.050 -9.221 1.477 1.00 0.00 C ATOM 938 C LEU A 81 0.442 -10.340 0.592 1.00 0.00 C ATOM 939 O LEU A 81 -0.152 -11.421 0.554 1.00 0.00 O ATOM 940 CB LEU A 81 -0.552 -8.063 0.611 1.00 0.00 C ATOM 941 CG LEU A 81 -1.744 -7.244 1.130 1.00 0.00 C ATOM 942 CD1 LEU A 81 -1.503 -6.685 2.526 1.00 0.00 C ATOM 943 CD2 LEU A 81 -2.031 -6.121 0.162 1.00 0.00 C ATOM 0 H LEU A 81 1.213 -7.783 2.343 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.878 -9.586 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.281 -7.378 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.823 -8.467 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.603 -7.911 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.375 -6.115 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.332 -7.506 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.629 -6.033 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.876 -5.536 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.154 -5.479 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.270 -6.537 -0.817 1.00 0.00 H new ATOM 955 N GLU A 82 1.558 -10.099 -0.063 1.00 0.00 N ATOM 956 CA GLU A 82 2.144 -11.053 -0.962 1.00 0.00 C ATOM 957 C GLU A 82 2.565 -12.327 -0.265 1.00 0.00 C ATOM 958 O GLU A 82 2.396 -13.389 -0.808 1.00 0.00 O ATOM 959 CB GLU A 82 3.279 -10.407 -1.765 1.00 0.00 C ATOM 960 CG GLU A 82 4.207 -11.330 -2.483 1.00 0.00 C ATOM 961 CD GLU A 82 5.087 -10.592 -3.454 1.00 0.00 C ATOM 962 OE1 GLU A 82 4.672 -10.406 -4.613 1.00 0.00 O ATOM 963 OE2 GLU A 82 6.206 -10.194 -3.101 1.00 0.00 O ATOM 0 H GLU A 82 2.083 -9.228 0.018 1.00 0.00 H new ATOM 0 HA GLU A 82 1.375 -11.359 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.835 -9.733 -2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.870 -9.793 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.827 -11.858 -1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.629 -12.084 -3.017 1.00 0.00 H new ATOM 970 N MET A 83 3.004 -12.227 0.969 1.00 0.00 N ATOM 971 CA MET A 83 3.492 -13.384 1.682 1.00 0.00 C ATOM 972 C MET A 83 2.325 -14.317 1.954 1.00 0.00 C ATOM 973 O MET A 83 2.417 -15.507 1.761 1.00 0.00 O ATOM 974 CB MET A 83 4.210 -12.951 2.977 1.00 0.00 C ATOM 975 CG MET A 83 4.905 -14.076 3.742 1.00 0.00 C ATOM 976 SD MET A 83 5.923 -13.473 5.126 1.00 0.00 S ATOM 977 CE MET A 83 4.713 -12.549 6.078 1.00 0.00 C ATOM 0 H MET A 83 3.033 -11.356 1.499 1.00 0.00 H new ATOM 0 HA MET A 83 4.226 -13.920 1.081 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.951 -12.192 2.726 1.00 0.00 H new ATOM 0 HB3 MET A 83 3.482 -12.480 3.637 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.153 -14.766 4.125 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.535 -14.641 3.054 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.878 -12.722 7.142 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.816 -11.485 5.863 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.709 -12.878 5.808 1.00 0.00 H new ATOM 987 N THR A 84 1.210 -13.730 2.294 1.00 0.00 N ATOM 988 CA THR A 84 -0.012 -14.440 2.570 1.00 0.00 C ATOM 989 C THR A 84 -0.568 -15.097 1.278 1.00 0.00 C ATOM 990 O THR A 84 -0.927 -16.273 1.282 1.00 0.00 O ATOM 991 CB THR A 84 -1.014 -13.447 3.173 1.00 0.00 C ATOM 992 OG1 THR A 84 -0.320 -12.725 4.196 1.00 0.00 O ATOM 993 CG2 THR A 84 -2.207 -14.152 3.814 1.00 0.00 C ATOM 0 H THR A 84 1.123 -12.718 2.390 1.00 0.00 H new ATOM 0 HA THR A 84 0.171 -15.247 3.280 1.00 0.00 H new ATOM 0 HB THR A 84 -1.395 -12.801 2.382 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.036 -11.892 3.824 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.889 -13.409 4.227 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.728 -14.744 3.061 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.857 -14.807 4.612 1.00 0.00 H new ATOM 1001 N VAL A 85 -0.592 -14.344 0.173 1.00 0.00 N ATOM 1002 CA VAL A 85 -1.056 -14.874 -1.121 1.00 0.00 C ATOM 1003 C VAL A 85 -0.121 -15.998 -1.613 1.00 0.00 C ATOM 1004 O VAL A 85 -0.567 -17.034 -2.135 1.00 0.00 O ATOM 1005 CB VAL A 85 -1.085 -13.771 -2.195 1.00 0.00 C ATOM 1006 CG1 VAL A 85 -1.592 -14.283 -3.526 1.00 0.00 C ATOM 1007 CG2 VAL A 85 -1.881 -12.595 -1.758 1.00 0.00 C ATOM 0 H VAL A 85 -0.297 -13.368 0.145 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.063 -15.262 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.052 -13.452 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.595 -13.470 -4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.942 -15.083 -3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.606 -14.666 -3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.876 -11.840 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.907 -12.904 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.445 -12.177 -0.851 1.00 0.00 H new ATOM 1017 N LYS A 86 1.165 -15.799 -1.450 1.00 0.00 N ATOM 1018 CA LYS A 86 2.129 -16.795 -1.859 1.00 0.00 C ATOM 1019 C LYS A 86 2.011 -18.050 -1.008 1.00 0.00 C ATOM 1020 O LYS A 86 2.083 -19.177 -1.514 1.00 0.00 O ATOM 1021 CB LYS A 86 3.551 -16.257 -1.849 1.00 0.00 C ATOM 1022 CG LYS A 86 3.789 -15.094 -2.809 1.00 0.00 C ATOM 1023 CD LYS A 86 5.268 -14.871 -2.982 1.00 0.00 C ATOM 1024 CE LYS A 86 5.586 -14.047 -4.207 1.00 0.00 C ATOM 1025 NZ LYS A 86 7.042 -13.929 -4.409 1.00 0.00 N ATOM 0 H LYS A 86 1.569 -14.958 -1.038 1.00 0.00 H new ATOM 0 HA LYS A 86 1.897 -17.060 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.798 -15.934 -0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.235 -17.067 -2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.329 -15.307 -3.774 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.318 -14.190 -2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.663 -14.370 -2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.772 -15.835 -3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.131 -14.506 -5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.149 -13.054 -4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.230 -13.358 -5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.471 -13.470 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.453 -14.876 -4.531 1.00 0.00 H new ATOM 1039 N HIS A 87 1.780 -17.853 0.278 1.00 0.00 N ATOM 1040 CA HIS A 87 1.560 -18.958 1.194 1.00 0.00 C ATOM 1041 C HIS A 87 0.258 -19.665 0.879 1.00 0.00 C ATOM 1042 O HIS A 87 0.115 -20.841 1.157 1.00 0.00 O ATOM 1043 CB HIS A 87 1.610 -18.523 2.662 1.00 0.00 C ATOM 1044 CG HIS A 87 2.983 -18.150 3.154 1.00 0.00 C ATOM 1045 ND1 HIS A 87 3.276 -17.899 4.468 1.00 0.00 N ATOM 1046 CD2 HIS A 87 4.147 -17.959 2.476 1.00 0.00 C ATOM 1047 CE1 HIS A 87 4.557 -17.567 4.555 1.00 0.00 C ATOM 1048 NE2 HIS A 87 5.139 -17.588 3.373 1.00 0.00 N ATOM 0 H HIS A 87 1.740 -16.932 0.714 1.00 0.00 H new ATOM 0 HA HIS A 87 2.381 -19.661 1.049 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.945 -17.671 2.798 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.223 -19.332 3.281 1.00 0.00 H new ATOM 0 HD1 HIS A 87 2.620 -17.957 5.247 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.278 -18.077 1.411 1.00 0.00 H new ATOM 0 HE1 HIS A 87 5.059 -17.312 5.477 1.00 0.00 H new ATOM 1056 N LEU A 88 -0.681 -18.937 0.295 1.00 0.00 N ATOM 1057 CA LEU A 88 -1.929 -19.507 -0.178 1.00 0.00 C ATOM 1058 C LEU A 88 -1.649 -20.596 -1.190 1.00 0.00 C ATOM 1059 O LEU A 88 -2.183 -21.684 -1.072 1.00 0.00 O ATOM 1060 CB LEU A 88 -2.832 -18.420 -0.776 1.00 0.00 C ATOM 1061 CG LEU A 88 -4.016 -18.887 -1.629 1.00 0.00 C ATOM 1062 CD1 LEU A 88 -4.953 -19.781 -0.850 1.00 0.00 C ATOM 1063 CD2 LEU A 88 -4.751 -17.698 -2.200 1.00 0.00 C ATOM 0 H LEU A 88 -0.597 -17.933 0.136 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.456 -19.947 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.223 -17.816 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.212 -17.764 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.620 -19.481 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.778 -20.090 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.412 -20.662 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.345 -19.237 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.590 -18.044 -2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.122 -17.075 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.072 -17.115 -2.822 1.00 0.00 H new ATOM 1075 N ARG A 89 -0.782 -20.306 -2.170 1.00 0.00 N ATOM 1076 CA ARG A 89 -0.394 -21.333 -3.159 1.00 0.00 C ATOM 1077 C ARG A 89 0.198 -22.536 -2.448 1.00 0.00 C ATOM 1078 O ARG A 89 -0.224 -23.668 -2.668 1.00 0.00 O ATOM 1079 CB ARG A 89 0.624 -20.832 -4.208 1.00 0.00 C ATOM 1080 CG ARG A 89 0.082 -19.949 -5.332 1.00 0.00 C ATOM 1081 CD ARG A 89 -0.393 -18.609 -4.838 1.00 0.00 C ATOM 1082 NE ARG A 89 -0.785 -17.726 -5.948 1.00 0.00 N ATOM 1083 CZ ARG A 89 -0.376 -16.454 -6.097 1.00 0.00 C ATOM 1084 NH1 ARG A 89 0.624 -15.976 -5.348 1.00 0.00 N ATOM 1085 NH2 ARG A 89 -0.907 -15.694 -7.053 1.00 0.00 N ATOM 0 H ARG A 89 -0.343 -19.395 -2.302 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.308 -21.596 -3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 89 1.403 -20.276 -3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.101 -21.702 -4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.861 -19.801 -6.080 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.742 -20.463 -5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.241 -18.748 -4.167 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.398 -18.134 -4.257 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.413 -18.107 -6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.079 -16.577 -4.661 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.932 -15.010 -5.464 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.623 -16.077 -7.671 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.598 -14.729 -7.168 1.00 0.00 H new ATOM 1099 N ASN A 90 1.131 -22.256 -1.545 1.00 0.00 N ATOM 1100 CA ASN A 90 1.837 -23.280 -0.767 1.00 0.00 C ATOM 1101 C ASN A 90 0.857 -24.179 -0.035 1.00 0.00 C ATOM 1102 O ASN A 90 0.900 -25.393 -0.162 1.00 0.00 O ATOM 1103 CB ASN A 90 2.789 -22.644 0.264 1.00 0.00 C ATOM 1104 CG ASN A 90 3.901 -21.809 -0.346 1.00 0.00 C ATOM 1105 OD1 ASN A 90 4.348 -22.059 -1.459 1.00 0.00 O ATOM 1106 ND2 ASN A 90 4.373 -20.833 0.385 1.00 0.00 N ATOM 0 H ASN A 90 1.425 -21.304 -1.327 1.00 0.00 H new ATOM 0 HA ASN A 90 2.417 -23.871 -1.475 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.208 -22.016 0.939 1.00 0.00 H new ATOM 0 HB3 ASN A 90 3.234 -23.435 0.868 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.135 -20.254 0.032 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.979 -20.650 1.308 1.00 0.00 H new ATOM 1113 N LEU A 91 -0.050 -23.562 0.680 1.00 0.00 N ATOM 1114 CA LEU A 91 -1.026 -24.259 1.481 1.00 0.00 C ATOM 1115 C LEU A 91 -2.137 -24.858 0.666 1.00 0.00 C ATOM 1116 O LEU A 91 -2.850 -25.683 1.162 1.00 0.00 O ATOM 1117 CB LEU A 91 -1.557 -23.359 2.575 1.00 0.00 C ATOM 1118 CG LEU A 91 -0.530 -22.894 3.599 1.00 0.00 C ATOM 1119 CD1 LEU A 91 -1.142 -21.875 4.510 1.00 0.00 C ATOM 1120 CD2 LEU A 91 -0.005 -24.068 4.402 1.00 0.00 C ATOM 0 H LEU A 91 -0.133 -22.546 0.723 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.513 -25.101 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.006 -22.480 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.354 -23.886 3.099 1.00 0.00 H new ATOM 0 HG LEU A 91 0.308 -22.440 3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.401 -21.547 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.478 -21.019 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.993 -22.316 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.727 -23.714 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.831 -24.549 4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.467 -24.786 3.731 1.00 0.00 H new ATOM 1132 N GLN A 92 -2.307 -24.424 -0.551 1.00 0.00 N ATOM 1133 CA GLN A 92 -3.243 -25.061 -1.451 1.00 0.00 C ATOM 1134 C GLN A 92 -2.664 -26.387 -1.951 1.00 0.00 C ATOM 1135 O GLN A 92 -3.357 -27.409 -2.009 1.00 0.00 O ATOM 1136 CB GLN A 92 -3.608 -24.122 -2.610 1.00 0.00 C ATOM 1137 CG GLN A 92 -4.807 -23.250 -2.352 1.00 0.00 C ATOM 1138 CD GLN A 92 -6.097 -24.032 -2.462 1.00 0.00 C ATOM 1139 OE1 GLN A 92 -6.190 -25.008 -3.207 1.00 0.00 O ATOM 1140 NE2 GLN A 92 -7.088 -23.634 -1.751 1.00 0.00 N ATOM 0 H GLN A 92 -1.809 -23.628 -0.950 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.166 -25.279 -0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.751 -23.485 -2.828 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.795 -24.721 -3.501 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.731 -22.810 -1.358 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.818 -22.426 -3.065 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.985 -22.823 -1.142 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.979 -24.129 -1.795 1.00 0.00 H new ATOM 1149 N ARG A 93 -1.370 -26.392 -2.202 1.00 0.00 N ATOM 1150 CA ARG A 93 -0.692 -27.576 -2.733 1.00 0.00 C ATOM 1151 C ARG A 93 0.054 -28.347 -1.644 1.00 0.00 C ATOM 1152 O ARG A 93 0.888 -29.209 -1.926 1.00 0.00 O ATOM 1153 CB ARG A 93 0.226 -27.193 -3.917 1.00 0.00 C ATOM 1154 CG ARG A 93 1.273 -26.125 -3.610 1.00 0.00 C ATOM 1155 CD ARG A 93 2.518 -26.668 -2.919 1.00 0.00 C ATOM 1156 NE ARG A 93 3.461 -25.602 -2.563 1.00 0.00 N ATOM 1157 CZ ARG A 93 4.520 -25.758 -1.753 1.00 0.00 C ATOM 1158 NH1 ARG A 93 4.837 -26.964 -1.294 1.00 0.00 N ATOM 1159 NH2 ARG A 93 5.270 -24.711 -1.424 1.00 0.00 N ATOM 0 H ARG A 93 -0.758 -25.590 -2.049 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.454 -28.256 -3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.737 -28.091 -4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.397 -26.842 -4.740 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.567 -25.639 -4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.823 -25.359 -2.979 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.226 -27.208 -2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.012 -27.385 -3.575 1.00 0.00 H new ATOM 0 HE ARG A 93 3.300 -24.676 -2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.275 -27.774 -1.557 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.642 -27.080 -0.679 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.041 -23.786 -1.787 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.074 -24.833 -0.808 1.00 0.00 H new ATOM 1173 N ALA A 94 -0.291 -28.080 -0.403 1.00 0.00 N ATOM 1174 CA ALA A 94 0.342 -28.745 0.736 1.00 0.00 C ATOM 1175 C ALA A 94 -0.271 -30.116 0.939 1.00 0.00 C ATOM 1176 O ALA A 94 0.228 -30.937 1.712 1.00 0.00 O ATOM 1177 CB ALA A 94 0.171 -27.912 1.996 1.00 0.00 C ATOM 0 H ALA A 94 -1.010 -27.404 -0.147 1.00 0.00 H new ATOM 0 HA ALA A 94 1.407 -28.855 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.647 -28.419 2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.634 -26.936 1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.891 -27.783 2.205 1.00 0.00 H new ATOM 1485 N GLU B 43 7.267 4.774 -1.731 1.00 0.00 N ATOM 1486 CA GLU B 43 5.935 4.620 -1.172 1.00 0.00 C ATOM 1487 C GLU B 43 4.957 4.264 -2.274 1.00 0.00 C ATOM 1488 O GLU B 43 4.012 3.507 -2.058 1.00 0.00 O ATOM 1489 CB GLU B 43 5.456 5.874 -0.425 1.00 0.00 C ATOM 1490 CG GLU B 43 5.213 7.076 -1.307 1.00 0.00 C ATOM 1491 CD GLU B 43 4.604 8.219 -0.569 1.00 0.00 C ATOM 1492 OE1 GLU B 43 3.389 8.164 -0.262 1.00 0.00 O ATOM 1493 OE2 GLU B 43 5.300 9.195 -0.269 1.00 0.00 O ATOM 0 HA GLU B 43 5.982 3.815 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU B 43 4.533 5.636 0.104 1.00 0.00 H new ATOM 0 HB3 GLU B 43 6.197 6.137 0.329 1.00 0.00 H new ATOM 0 HG2 GLU B 43 6.158 7.395 -1.747 1.00 0.00 H new ATOM 0 HG3 GLU B 43 4.558 6.791 -2.130 1.00 0.00 H new ATOM 1500 N LYS B 44 5.223 4.768 -3.469 1.00 0.00 N ATOM 1501 CA LYS B 44 4.366 4.510 -4.598 1.00 0.00 C ATOM 1502 C LYS B 44 4.499 3.093 -5.043 1.00 0.00 C ATOM 1503 O LYS B 44 3.501 2.433 -5.345 1.00 0.00 O ATOM 1504 CB LYS B 44 4.631 5.472 -5.724 1.00 0.00 C ATOM 1505 CG LYS B 44 4.015 6.841 -5.491 1.00 0.00 C ATOM 1506 CD LYS B 44 4.165 7.724 -6.705 1.00 0.00 C ATOM 1507 CE LYS B 44 5.620 8.022 -7.011 1.00 0.00 C ATOM 1508 NZ LYS B 44 5.773 8.843 -8.220 1.00 0.00 N ATOM 0 H LYS B 44 6.029 5.358 -3.675 1.00 0.00 H new ATOM 0 HA LYS B 44 3.335 4.668 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS B 44 5.707 5.581 -5.856 1.00 0.00 H new ATOM 0 HB3 LYS B 44 4.237 5.055 -6.651 1.00 0.00 H new ATOM 0 HG2 LYS B 44 2.958 6.730 -5.248 1.00 0.00 H new ATOM 0 HG3 LYS B 44 4.491 7.315 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS B 44 3.705 7.239 -7.566 1.00 0.00 H new ATOM 0 HD3 LYS B 44 3.629 8.659 -6.542 1.00 0.00 H new ATOM 0 HE2 LYS B 44 6.070 8.538 -6.163 1.00 0.00 H new ATOM 0 HE3 LYS B 44 6.163 7.085 -7.138 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 6.783 9.023 -8.392 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 5.367 8.340 -9.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 5.278 9.748 -8.090 1.00 0.00 H new ATOM 1522 N ARG B 45 5.729 2.614 -5.035 1.00 0.00 N ATOM 1523 CA ARG B 45 6.028 1.224 -5.329 1.00 0.00 C ATOM 1524 C ARG B 45 5.325 0.326 -4.334 1.00 0.00 C ATOM 1525 O ARG B 45 4.761 -0.714 -4.707 1.00 0.00 O ATOM 1526 CB ARG B 45 7.522 0.983 -5.245 1.00 0.00 C ATOM 1527 CG ARG B 45 8.324 1.623 -6.350 1.00 0.00 C ATOM 1528 CD ARG B 45 9.807 1.535 -6.055 1.00 0.00 C ATOM 1529 NE ARG B 45 10.248 0.150 -5.767 1.00 0.00 N ATOM 1530 CZ ARG B 45 11.523 -0.277 -5.771 1.00 0.00 C ATOM 1531 NH1 ARG B 45 12.484 0.472 -6.299 1.00 0.00 N ATOM 1532 NH2 ARG B 45 11.816 -1.492 -5.325 1.00 0.00 N ATOM 0 H ARG B 45 6.551 3.179 -4.824 1.00 0.00 H new ATOM 0 HA ARG B 45 5.681 0.998 -6.337 1.00 0.00 H new ATOM 0 HB2 ARG B 45 7.884 1.357 -4.287 1.00 0.00 H new ATOM 0 HB3 ARG B 45 7.705 -0.092 -5.257 1.00 0.00 H new ATOM 0 HG2 ARG B 45 8.107 1.129 -7.297 1.00 0.00 H new ATOM 0 HG3 ARG B 45 8.031 2.667 -6.461 1.00 0.00 H new ATOM 0 HD2 ARG B 45 10.367 1.921 -6.907 1.00 0.00 H new ATOM 0 HD3 ARG B 45 10.043 2.172 -5.203 1.00 0.00 H new ATOM 0 HE ARG B 45 9.525 -0.536 -5.548 1.00 0.00 H new ATOM 0 HH11 ARG B 45 12.258 1.379 -6.706 1.00 0.00 H new ATOM 0 HH12 ARG B 45 13.448 0.140 -6.298 1.00 0.00 H new ATOM 0 HH21 ARG B 45 11.074 -2.101 -4.980 1.00 0.00 H new ATOM 0 HH22 ARG B 45 12.783 -1.817 -5.328 1.00 0.00 H new ATOM 1546 N ARG B 46 5.347 0.743 -3.065 1.00 0.00 N ATOM 1547 CA ARG B 46 4.705 0.000 -2.008 1.00 0.00 C ATOM 1548 C ARG B 46 3.221 -0.105 -2.259 1.00 0.00 C ATOM 1549 O ARG B 46 2.707 -1.195 -2.388 1.00 0.00 O ATOM 1550 CB ARG B 46 4.929 0.639 -0.636 1.00 0.00 C ATOM 1551 CG ARG B 46 4.186 -0.095 0.476 1.00 0.00 C ATOM 1552 CD ARG B 46 4.353 0.575 1.821 1.00 0.00 C ATOM 1553 NE ARG B 46 5.702 0.407 2.359 1.00 0.00 N ATOM 1554 CZ ARG B 46 6.124 0.876 3.545 1.00 0.00 C ATOM 1555 NH1 ARG B 46 5.334 1.628 4.302 1.00 0.00 N ATOM 1556 NH2 ARG B 46 7.319 0.563 3.973 1.00 0.00 N ATOM 0 H ARG B 46 5.809 1.598 -2.756 1.00 0.00 H new ATOM 0 HA ARG B 46 5.156 -0.992 -2.005 1.00 0.00 H new ATOM 0 HB2 ARG B 46 5.996 0.648 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG B 46 4.601 1.678 -0.664 1.00 0.00 H new ATOM 0 HG2 ARG B 46 3.126 -0.147 0.228 1.00 0.00 H new ATOM 0 HG3 ARG B 46 4.550 -1.121 0.537 1.00 0.00 H new ATOM 0 HD2 ARG B 46 4.132 1.638 1.725 1.00 0.00 H new ATOM 0 HD3 ARG B 46 3.630 0.161 2.523 1.00 0.00 H new ATOM 0 HE ARG B 46 6.375 -0.106 1.790 1.00 0.00 H new ATOM 0 HH11 ARG B 46 4.392 1.857 3.985 1.00 0.00 H new ATOM 0 HH12 ARG B 46 5.669 1.976 5.200 1.00 0.00 H new ATOM 0 HH21 ARG B 46 7.923 -0.033 3.408 1.00 0.00 H new ATOM 0 HH22 ARG B 46 7.647 0.915 4.872 1.00 0.00 H new ATOM 1570 N ARG B 47 2.544 1.028 -2.385 1.00 0.00 N ATOM 1571 CA ARG B 47 1.098 1.003 -2.552 1.00 0.00 C ATOM 1572 C ARG B 47 0.621 0.395 -3.836 1.00 0.00 C ATOM 1573 O ARG B 47 -0.413 -0.264 -3.849 1.00 0.00 O ATOM 1574 CB ARG B 47 0.367 2.292 -2.150 1.00 0.00 C ATOM 1575 CG ARG B 47 1.011 3.590 -2.583 1.00 0.00 C ATOM 1576 CD ARG B 47 0.147 4.758 -2.170 1.00 0.00 C ATOM 1577 NE ARG B 47 0.909 6.012 -2.023 1.00 0.00 N ATOM 1578 CZ ARG B 47 0.354 7.227 -1.949 1.00 0.00 C ATOM 1579 NH1 ARG B 47 -0.922 7.391 -2.257 1.00 0.00 N ATOM 1580 NH2 ARG B 47 1.080 8.271 -1.579 1.00 0.00 N ATOM 0 H ARG B 47 2.962 1.958 -2.375 1.00 0.00 H new ATOM 0 HA ARG B 47 0.783 0.289 -1.791 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -0.641 2.256 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG B 47 0.268 2.305 -1.065 1.00 0.00 H new ATOM 0 HG2 ARG B 47 2.000 3.682 -2.134 1.00 0.00 H new ATOM 0 HG3 ARG B 47 1.150 3.594 -3.664 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -0.639 4.901 -2.911 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -0.344 4.524 -1.225 1.00 0.00 H new ATOM 0 HE ARG B 47 1.926 5.949 -1.975 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -1.483 6.591 -2.551 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -1.345 8.317 -2.201 1.00 0.00 H new ATOM 0 HH21 ARG B 47 2.066 8.151 -1.349 1.00 0.00 H new ATOM 0 HH22 ARG B 47 0.653 9.196 -1.524 1.00 0.00 H new ATOM 1594 N ALA B 48 1.384 0.549 -4.895 1.00 0.00 N ATOM 1595 CA ALA B 48 1.065 -0.101 -6.140 1.00 0.00 C ATOM 1596 C ALA B 48 1.063 -1.599 -5.913 1.00 0.00 C ATOM 1597 O ALA B 48 0.104 -2.279 -6.241 1.00 0.00 O ATOM 1598 CB ALA B 48 2.070 0.271 -7.216 1.00 0.00 C ATOM 0 H ALA B 48 2.229 1.119 -4.916 1.00 0.00 H new ATOM 0 HA ALA B 48 0.082 0.225 -6.481 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.809 -0.232 -8.147 1.00 0.00 H new ATOM 0 HB2 ALA B 48 2.056 1.350 -7.370 1.00 0.00 H new ATOM 0 HB3 ALA B 48 3.068 -0.038 -6.904 1.00 0.00 H new ATOM 1604 N ARG B 49 2.094 -2.087 -5.234 1.00 0.00 N ATOM 1605 CA ARG B 49 2.212 -3.499 -4.974 1.00 0.00 C ATOM 1606 C ARG B 49 1.145 -3.951 -3.959 1.00 0.00 C ATOM 1607 O ARG B 49 0.691 -5.089 -4.024 1.00 0.00 O ATOM 1608 CB ARG B 49 3.629 -3.873 -4.508 1.00 0.00 C ATOM 1609 CG ARG B 49 3.920 -5.379 -4.510 1.00 0.00 C ATOM 1610 CD ARG B 49 3.835 -5.954 -5.925 1.00 0.00 C ATOM 1611 NE ARG B 49 4.114 -7.397 -5.976 1.00 0.00 N ATOM 1612 CZ ARG B 49 4.269 -8.111 -7.110 1.00 0.00 C ATOM 1613 NH1 ARG B 49 4.195 -7.527 -8.305 1.00 0.00 N ATOM 1614 NH2 ARG B 49 4.496 -9.405 -7.043 1.00 0.00 N ATOM 0 H ARG B 49 2.854 -1.520 -4.858 1.00 0.00 H new ATOM 0 HA ARG B 49 2.036 -4.030 -5.910 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.353 -3.374 -5.152 1.00 0.00 H new ATOM 0 HB3 ARG B 49 3.780 -3.487 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.913 -5.561 -4.099 1.00 0.00 H new ATOM 0 HG3 ARG B 49 3.208 -5.891 -3.863 1.00 0.00 H new ATOM 0 HD2 ARG B 49 2.840 -5.767 -6.328 1.00 0.00 H new ATOM 0 HD3 ARG B 49 4.542 -5.430 -6.568 1.00 0.00 H new ATOM 0 HE ARG B 49 4.196 -7.894 -5.089 1.00 0.00 H new ATOM 0 HH11 ARG B 49 4.019 -6.525 -8.373 1.00 0.00 H new ATOM 0 HH12 ARG B 49 4.315 -8.082 -9.152 1.00 0.00 H new ATOM 0 HH21 ARG B 49 4.554 -9.866 -6.135 1.00 0.00 H new ATOM 0 HH22 ARG B 49 4.614 -9.947 -7.899 1.00 0.00 H new ATOM 1628 N ILE B 50 0.753 -3.054 -3.024 1.00 0.00 N ATOM 1629 CA ILE B 50 -0.328 -3.335 -2.084 1.00 0.00 C ATOM 1630 C ILE B 50 -1.609 -3.632 -2.853 1.00 0.00 C ATOM 1631 O ILE B 50 -2.172 -4.684 -2.702 1.00 0.00 O ATOM 1632 CB ILE B 50 -0.589 -2.146 -1.104 1.00 0.00 C ATOM 1633 CG1 ILE B 50 0.653 -1.868 -0.270 1.00 0.00 C ATOM 1634 CG2 ILE B 50 -1.777 -2.447 -0.175 1.00 0.00 C ATOM 1635 CD1 ILE B 50 0.531 -0.646 0.605 1.00 0.00 C ATOM 0 H ILE B 50 1.177 -2.133 -2.910 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.024 -4.197 -1.491 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.829 -1.266 -1.701 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.861 -2.735 0.358 1.00 0.00 H new ATOM 0 HG13 ILE B 50 1.507 -1.744 -0.936 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.937 -1.603 0.496 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.674 -2.610 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.564 -3.341 0.410 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.453 -0.510 1.170 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.354 0.231 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -0.302 -0.775 1.296 1.00 0.00 H new ATOM 1647 N ASN B 51 -2.013 -2.718 -3.729 1.00 0.00 N ATOM 1648 CA ASN B 51 -3.255 -2.885 -4.528 1.00 0.00 C ATOM 1649 C ASN B 51 -3.179 -4.112 -5.390 1.00 0.00 C ATOM 1650 O ASN B 51 -4.095 -4.931 -5.387 1.00 0.00 O ATOM 1651 CB ASN B 51 -3.564 -1.652 -5.411 1.00 0.00 C ATOM 1652 CG ASN B 51 -3.926 -0.387 -4.638 1.00 0.00 C ATOM 1653 OD1 ASN B 51 -5.100 -0.135 -4.327 1.00 0.00 O ATOM 1654 ND2 ASN B 51 -2.944 0.427 -4.349 1.00 0.00 N ATOM 0 H ASN B 51 -1.510 -1.850 -3.915 1.00 0.00 H new ATOM 0 HA ASN B 51 -4.068 -2.994 -3.810 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -2.696 -1.443 -6.036 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -4.387 -1.900 -6.081 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -3.133 1.298 -3.854 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -1.989 0.190 -4.619 1.00 0.00 H new ATOM 1661 N GLU B 52 -2.075 -4.266 -6.086 1.00 0.00 N ATOM 1662 CA GLU B 52 -1.887 -5.409 -6.975 1.00 0.00 C ATOM 1663 C GLU B 52 -1.953 -6.744 -6.215 1.00 0.00 C ATOM 1664 O GLU B 52 -2.587 -7.719 -6.687 1.00 0.00 O ATOM 1665 CB GLU B 52 -0.570 -5.297 -7.745 1.00 0.00 C ATOM 1666 CG GLU B 52 -0.441 -4.027 -8.580 1.00 0.00 C ATOM 1667 CD GLU B 52 -1.616 -3.807 -9.497 1.00 0.00 C ATOM 1668 OE1 GLU B 52 -1.638 -4.364 -10.610 1.00 0.00 O ATOM 1669 OE2 GLU B 52 -2.531 -3.057 -9.139 1.00 0.00 O ATOM 0 H GLU B 52 -1.288 -3.618 -6.059 1.00 0.00 H new ATOM 0 HA GLU B 52 -2.709 -5.394 -7.690 1.00 0.00 H new ATOM 0 HB2 GLU B 52 0.257 -5.338 -7.036 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -0.471 -6.162 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -0.340 -3.169 -7.915 1.00 0.00 H new ATOM 0 HG3 GLU B 52 0.472 -4.079 -9.173 1.00 0.00 H new ATOM 1676 N SER B 53 -1.354 -6.785 -5.032 1.00 0.00 N ATOM 1677 CA SER B 53 -1.344 -7.992 -4.262 1.00 0.00 C ATOM 1678 C SER B 53 -2.693 -8.219 -3.605 1.00 0.00 C ATOM 1679 O SER B 53 -3.178 -9.308 -3.623 1.00 0.00 O ATOM 1680 CB SER B 53 -0.211 -7.988 -3.236 1.00 0.00 C ATOM 1681 OG SER B 53 1.041 -7.786 -3.885 1.00 0.00 O ATOM 0 H SER B 53 -0.876 -5.995 -4.599 1.00 0.00 H new ATOM 0 HA SER B 53 -1.159 -8.825 -4.940 1.00 0.00 H new ATOM 0 HB2 SER B 53 -0.379 -7.201 -2.501 1.00 0.00 H new ATOM 0 HB3 SER B 53 -0.199 -8.933 -2.693 1.00 0.00 H new ATOM 0 HG SER B 53 1.160 -6.832 -4.076 1.00 0.00 H new ATOM 1687 N LEU B 54 -3.312 -7.149 -3.096 1.00 0.00 N ATOM 1688 CA LEU B 54 -4.613 -7.200 -2.417 1.00 0.00 C ATOM 1689 C LEU B 54 -5.661 -7.711 -3.398 1.00 0.00 C ATOM 1690 O LEU B 54 -6.537 -8.506 -3.049 1.00 0.00 O ATOM 1691 CB LEU B 54 -4.984 -5.776 -1.940 1.00 0.00 C ATOM 1692 CG LEU B 54 -5.898 -5.637 -0.701 1.00 0.00 C ATOM 1693 CD1 LEU B 54 -6.019 -4.176 -0.304 1.00 0.00 C ATOM 1694 CD2 LEU B 54 -7.284 -6.226 -0.918 1.00 0.00 C ATOM 0 H LEU B 54 -2.919 -6.209 -3.144 1.00 0.00 H new ATOM 0 HA LEU B 54 -4.568 -7.868 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -4.057 -5.242 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -5.468 -5.262 -2.770 1.00 0.00 H new ATOM 0 HG LEU B 54 -5.429 -6.207 0.101 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -6.665 -4.089 0.570 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -5.031 -3.781 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -6.448 -3.609 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -7.879 -6.098 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -7.771 -5.714 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -7.196 -7.288 -1.148 1.00 0.00 H new ATOM 1706 N SER B 55 -5.544 -7.269 -4.618 1.00 0.00 N ATOM 1707 CA SER B 55 -6.422 -7.678 -5.655 1.00 0.00 C ATOM 1708 C SER B 55 -6.304 -9.185 -5.944 1.00 0.00 C ATOM 1709 O SER B 55 -7.319 -9.876 -6.004 1.00 0.00 O ATOM 1710 CB SER B 55 -6.205 -6.803 -6.882 1.00 0.00 C ATOM 1711 OG SER B 55 -6.670 -5.480 -6.636 1.00 0.00 O ATOM 0 H SER B 55 -4.826 -6.608 -4.914 1.00 0.00 H new ATOM 0 HA SER B 55 -7.453 -7.535 -5.332 1.00 0.00 H new ATOM 0 HB2 SER B 55 -5.146 -6.781 -7.138 1.00 0.00 H new ATOM 0 HB3 SER B 55 -6.731 -7.227 -7.737 1.00 0.00 H new ATOM 0 HG SER B 55 -5.972 -4.968 -6.175 1.00 0.00 H new ATOM 1717 N GLN B 56 -5.081 -9.721 -6.050 1.00 0.00 N ATOM 1718 CA GLN B 56 -4.942 -11.166 -6.313 1.00 0.00 C ATOM 1719 C GLN B 56 -5.245 -11.981 -5.045 1.00 0.00 C ATOM 1720 O GLN B 56 -5.718 -13.107 -5.118 1.00 0.00 O ATOM 1721 CB GLN B 56 -3.575 -11.527 -6.905 1.00 0.00 C ATOM 1722 CG GLN B 56 -2.396 -11.297 -5.997 1.00 0.00 C ATOM 1723 CD GLN B 56 -1.097 -11.707 -6.642 1.00 0.00 C ATOM 1724 OE1 GLN B 56 -0.667 -12.860 -6.536 1.00 0.00 O ATOM 1725 NE2 GLN B 56 -0.458 -10.790 -7.307 1.00 0.00 N ATOM 0 H GLN B 56 -4.205 -9.205 -5.963 1.00 0.00 H new ATOM 0 HA GLN B 56 -5.680 -11.429 -7.071 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -3.589 -12.578 -7.194 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -3.428 -10.947 -7.816 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -2.348 -10.243 -5.725 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -2.535 -11.859 -5.073 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -0.842 -9.848 -7.374 1.00 0.00 H new ATOM 0 HE22 GLN B 56 0.427 -11.013 -7.761 1.00 0.00 H new ATOM 1734 N LEU B 57 -4.983 -11.357 -3.912 1.00 0.00 N ATOM 1735 CA LEU B 57 -5.277 -11.852 -2.566 1.00 0.00 C ATOM 1736 C LEU B 57 -6.774 -12.186 -2.518 1.00 0.00 C ATOM 1737 O LEU B 57 -7.161 -13.331 -2.336 1.00 0.00 O ATOM 1738 CB LEU B 57 -4.847 -10.670 -1.609 1.00 0.00 C ATOM 1739 CG LEU B 57 -5.009 -10.678 -0.078 1.00 0.00 C ATOM 1740 CD1 LEU B 57 -6.435 -10.730 0.363 1.00 0.00 C ATOM 1741 CD2 LEU B 57 -4.170 -11.732 0.581 1.00 0.00 C ATOM 0 H LEU B 57 -4.535 -10.441 -3.897 1.00 0.00 H new ATOM 0 HA LEU B 57 -4.751 -12.760 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -3.787 -10.500 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -5.380 -9.787 -1.963 1.00 0.00 H new ATOM 0 HG LEU B 57 -4.628 -9.716 0.263 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -6.479 -10.733 1.452 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -6.966 -9.858 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -6.902 -11.637 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -4.321 -11.695 1.660 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -4.460 -12.714 0.207 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -3.119 -11.554 0.355 1.00 0.00 H new ATOM 1753 N LYS B 58 -7.572 -11.180 -2.779 1.00 0.00 N ATOM 1754 CA LYS B 58 -9.030 -11.289 -2.882 1.00 0.00 C ATOM 1755 C LYS B 58 -9.438 -12.333 -3.938 1.00 0.00 C ATOM 1756 O LYS B 58 -10.276 -13.206 -3.676 1.00 0.00 O ATOM 1757 CB LYS B 58 -9.607 -9.916 -3.274 1.00 0.00 C ATOM 1758 CG LYS B 58 -11.130 -9.860 -3.412 1.00 0.00 C ATOM 1759 CD LYS B 58 -11.611 -8.464 -3.830 1.00 0.00 C ATOM 1760 CE LYS B 58 -11.109 -8.073 -5.222 1.00 0.00 C ATOM 1761 NZ LYS B 58 -11.549 -6.717 -5.615 1.00 0.00 N ATOM 0 H LYS B 58 -7.229 -10.232 -2.932 1.00 0.00 H new ATOM 0 HA LYS B 58 -9.424 -11.608 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -9.300 -9.185 -2.526 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -9.162 -9.610 -4.221 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -11.456 -10.593 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -11.592 -10.135 -2.464 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -12.701 -8.438 -3.818 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -11.267 -7.730 -3.102 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -10.020 -8.119 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -11.470 -8.796 -5.953 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -11.186 -6.496 -6.564 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -12.588 -6.678 -5.624 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -11.183 -6.022 -4.933 1.00 0.00 H new ATOM 1775 N THR B 59 -8.816 -12.243 -5.109 1.00 0.00 N ATOM 1776 CA THR B 59 -9.145 -13.095 -6.241 1.00 0.00 C ATOM 1777 C THR B 59 -8.952 -14.579 -5.934 1.00 0.00 C ATOM 1778 O THR B 59 -9.912 -15.332 -5.958 1.00 0.00 O ATOM 1779 CB THR B 59 -8.325 -12.706 -7.494 1.00 0.00 C ATOM 1780 OG1 THR B 59 -8.553 -11.323 -7.792 1.00 0.00 O ATOM 1781 CG2 THR B 59 -8.730 -13.543 -8.706 1.00 0.00 C ATOM 0 H THR B 59 -8.068 -11.575 -5.298 1.00 0.00 H new ATOM 0 HA THR B 59 -10.204 -12.934 -6.444 1.00 0.00 H new ATOM 0 HB THR B 59 -7.271 -12.889 -7.283 1.00 0.00 H new ATOM 0 HG1 THR B 59 -7.898 -10.773 -7.314 1.00 0.00 H new ATOM 0 HG21 THR B 59 -8.135 -13.245 -9.569 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.558 -14.598 -8.494 1.00 0.00 H new ATOM 0 HG23 THR B 59 -9.787 -13.384 -8.921 1.00 0.00 H new ATOM 1789 N LEU B 60 -7.737 -14.978 -5.588 1.00 0.00 N ATOM 1790 CA LEU B 60 -7.432 -16.389 -5.382 1.00 0.00 C ATOM 1791 C LEU B 60 -8.151 -16.984 -4.177 1.00 0.00 C ATOM 1792 O LEU B 60 -8.482 -18.166 -4.178 1.00 0.00 O ATOM 1793 CB LEU B 60 -5.917 -16.682 -5.349 1.00 0.00 C ATOM 1794 CG LEU B 60 -5.156 -16.705 -6.701 1.00 0.00 C ATOM 1795 CD1 LEU B 60 -5.761 -17.722 -7.658 1.00 0.00 C ATOM 1796 CD2 LEU B 60 -5.081 -15.331 -7.353 1.00 0.00 C ATOM 0 H LEU B 60 -6.948 -14.348 -5.444 1.00 0.00 H new ATOM 0 HA LEU B 60 -7.826 -16.897 -6.262 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -5.445 -15.935 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -5.773 -17.649 -4.867 1.00 0.00 H new ATOM 0 HG LEU B 60 -4.134 -17.008 -6.475 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -5.206 -17.714 -8.596 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -5.708 -18.716 -7.214 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -6.803 -17.465 -7.851 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.538 -15.405 -8.295 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -6.089 -14.963 -7.543 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -4.562 -14.641 -6.688 1.00 0.00 H new ATOM 1808 N ILE B 61 -8.411 -16.174 -3.162 1.00 0.00 N ATOM 1809 CA ILE B 61 -9.160 -16.652 -2.012 1.00 0.00 C ATOM 1810 C ILE B 61 -10.584 -16.984 -2.418 1.00 0.00 C ATOM 1811 O ILE B 61 -11.055 -18.115 -2.231 1.00 0.00 O ATOM 1812 CB ILE B 61 -9.169 -15.628 -0.846 1.00 0.00 C ATOM 1813 CG1 ILE B 61 -7.766 -15.470 -0.264 1.00 0.00 C ATOM 1814 CG2 ILE B 61 -10.163 -16.025 0.245 1.00 0.00 C ATOM 1815 CD1 ILE B 61 -7.185 -16.742 0.321 1.00 0.00 C ATOM 0 H ILE B 61 -8.120 -15.198 -3.111 1.00 0.00 H new ATOM 0 HA ILE B 61 -8.659 -17.551 -1.653 1.00 0.00 H new ATOM 0 HB ILE B 61 -9.491 -14.668 -1.250 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -7.100 -15.107 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -7.792 -14.706 0.513 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -10.141 -15.284 1.044 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -11.167 -16.073 -0.177 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -9.891 -17.001 0.647 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -6.188 -16.540 0.712 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -7.826 -17.097 1.128 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -7.123 -17.504 -0.455 1.00 0.00 H new ATOM 1827 N LEU B 62 -11.236 -16.035 -3.046 1.00 0.00 N ATOM 1828 CA LEU B 62 -12.606 -16.193 -3.424 1.00 0.00 C ATOM 1829 C LEU B 62 -12.747 -17.199 -4.559 1.00 0.00 C ATOM 1830 O LEU B 62 -13.778 -17.802 -4.730 1.00 0.00 O ATOM 1831 CB LEU B 62 -13.171 -14.855 -3.801 1.00 0.00 C ATOM 1832 CG LEU B 62 -14.694 -14.765 -3.898 1.00 0.00 C ATOM 1833 CD1 LEU B 62 -15.370 -15.436 -2.706 1.00 0.00 C ATOM 1834 CD2 LEU B 62 -15.057 -13.338 -3.879 1.00 0.00 C ATOM 0 H LEU B 62 -10.827 -15.137 -3.305 1.00 0.00 H new ATOM 0 HA LEU B 62 -13.170 -16.587 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU B 62 -12.831 -14.122 -3.070 1.00 0.00 H new ATOM 0 HB3 LEU B 62 -12.749 -14.565 -4.763 1.00 0.00 H new ATOM 0 HG LEU B 62 -15.020 -15.265 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU B 62 -16.452 -15.353 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU B 62 -15.088 -16.488 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU B 62 -15.053 -14.946 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU B 62 -16.140 -13.237 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU B 62 -14.708 -12.886 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU B 62 -14.592 -12.833 -4.726 1.00 0.00 H new ATOM 1846 N ASP B 63 -11.679 -17.395 -5.288 1.00 0.00 N ATOM 1847 CA ASP B 63 -11.633 -18.354 -6.407 1.00 0.00 C ATOM 1848 C ASP B 63 -11.464 -19.776 -5.900 1.00 0.00 C ATOM 1849 O ASP B 63 -11.826 -20.729 -6.558 1.00 0.00 O ATOM 1850 CB ASP B 63 -10.452 -18.052 -7.288 1.00 0.00 C ATOM 1851 CG ASP B 63 -10.513 -18.735 -8.635 1.00 0.00 C ATOM 1852 OD1 ASP B 63 -11.141 -18.182 -9.557 1.00 0.00 O ATOM 1853 OD2 ASP B 63 -9.926 -19.821 -8.806 1.00 0.00 O ATOM 0 H ASP B 63 -10.801 -16.899 -5.136 1.00 0.00 H new ATOM 0 HA ASP B 63 -12.570 -18.262 -6.956 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -10.388 -16.974 -7.439 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -9.540 -18.357 -6.776 1.00 0.00 H new ATOM 1858 N ALA B 64 -10.877 -19.916 -4.748 1.00 0.00 N ATOM 1859 CA ALA B 64 -10.651 -21.206 -4.173 1.00 0.00 C ATOM 1860 C ALA B 64 -11.882 -21.653 -3.445 1.00 0.00 C ATOM 1861 O ALA B 64 -12.198 -22.838 -3.400 1.00 0.00 O ATOM 1862 CB ALA B 64 -9.462 -21.157 -3.234 1.00 0.00 C ATOM 0 H ALA B 64 -10.542 -19.137 -4.181 1.00 0.00 H new ATOM 0 HA ALA B 64 -10.431 -21.922 -4.965 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -9.299 -22.144 -2.802 1.00 0.00 H new ATOM 0 HB2 ALA B 64 -8.574 -20.852 -3.787 1.00 0.00 H new ATOM 0 HB3 ALA B 64 -9.657 -20.440 -2.437 1.00 0.00 H new ATOM 1868 N LEU B 65 -12.604 -20.688 -2.902 1.00 0.00 N ATOM 1869 CA LEU B 65 -13.749 -20.995 -2.083 1.00 0.00 C ATOM 1870 C LEU B 65 -15.019 -20.937 -2.894 1.00 0.00 C ATOM 1871 O LEU B 65 -15.917 -21.761 -2.708 1.00 0.00 O ATOM 1872 CB LEU B 65 -13.832 -20.016 -0.902 1.00 0.00 C ATOM 1873 CG LEU B 65 -12.533 -19.819 -0.118 1.00 0.00 C ATOM 1874 CD1 LEU B 65 -12.742 -18.991 1.128 1.00 0.00 C ATOM 1875 CD2 LEU B 65 -11.867 -21.140 0.185 1.00 0.00 C ATOM 0 H LEU B 65 -12.414 -19.692 -3.016 1.00 0.00 H new ATOM 0 HA LEU B 65 -13.633 -22.008 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -14.160 -19.047 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -14.601 -20.368 -0.214 1.00 0.00 H new ATOM 0 HG LEU B 65 -11.854 -19.253 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -11.793 -18.877 1.653 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -13.124 -18.008 0.852 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -13.460 -19.489 1.780 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -10.947 -20.964 0.743 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -12.539 -21.758 0.780 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -11.633 -21.652 -0.748 1.00 0.00 H new ATOM 1887 N LYS B 66 -15.069 -19.962 -3.804 1.00 0.00 N ATOM 1888 CA LYS B 66 -16.196 -19.705 -4.688 1.00 0.00 C ATOM 1889 C LYS B 66 -17.504 -19.669 -3.965 1.00 0.00 C ATOM 1890 O LYS B 66 -18.322 -20.598 -4.026 1.00 0.00 O ATOM 1891 CB LYS B 66 -16.180 -20.605 -5.894 1.00 0.00 C ATOM 1892 CG LYS B 66 -15.049 -20.251 -6.853 1.00 0.00 C ATOM 1893 CD LYS B 66 -14.749 -21.376 -7.801 1.00 0.00 C ATOM 1894 CE LYS B 66 -14.170 -22.557 -7.038 1.00 0.00 C ATOM 1895 NZ LYS B 66 -13.740 -23.648 -7.931 1.00 0.00 N ATOM 0 H LYS B 66 -14.297 -19.310 -3.947 1.00 0.00 H new ATOM 0 HA LYS B 66 -16.075 -18.694 -5.078 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -16.072 -21.641 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -17.134 -20.531 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -15.319 -19.360 -7.420 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -14.152 -20.007 -6.283 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -15.659 -21.678 -8.320 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -14.044 -21.043 -8.562 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -13.320 -22.221 -6.445 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -14.916 -22.936 -6.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -13.353 -24.429 -7.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -14.555 -23.989 -8.479 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -13.008 -23.297 -8.581 1.00 0.00 H new ATOM 1909 N LYS B 67 -17.619 -18.634 -3.183 1.00 0.00 N ATOM 1910 CA LYS B 67 -18.793 -18.385 -2.394 1.00 0.00 C ATOM 1911 C LYS B 67 -19.900 -17.869 -3.298 1.00 0.00 C ATOM 1912 O LYS B 67 -20.959 -18.506 -3.423 1.00 0.00 O ATOM 1913 CB LYS B 67 -18.486 -17.404 -1.255 1.00 0.00 C ATOM 1914 CG LYS B 67 -17.371 -17.877 -0.313 1.00 0.00 C ATOM 1915 CD LYS B 67 -17.148 -16.893 0.820 1.00 0.00 C ATOM 1916 CE LYS B 67 -16.057 -17.364 1.773 1.00 0.00 C ATOM 1917 NZ LYS B 67 -16.417 -18.611 2.494 1.00 0.00 N ATOM 0 H LYS B 67 -16.890 -17.929 -3.074 1.00 0.00 H new ATOM 0 HA LYS B 67 -19.126 -19.314 -1.931 1.00 0.00 H new ATOM 0 HB2 LYS B 67 -18.203 -16.442 -1.683 1.00 0.00 H new ATOM 0 HB3 LYS B 67 -19.394 -17.240 -0.675 1.00 0.00 H new ATOM 0 HG2 LYS B 67 -17.629 -18.854 0.097 1.00 0.00 H new ATOM 0 HG3 LYS B 67 -16.446 -18.002 -0.876 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -16.876 -15.921 0.409 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -18.078 -16.757 1.371 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -15.137 -17.528 1.211 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -15.851 -16.577 2.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -15.702 -18.809 3.223 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -17.347 -18.496 2.944 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -16.454 -19.403 1.821 1.00 0.00 H new ATOM 1931 N ASP B 68 -19.649 -16.730 -3.941 1.00 0.00 N ATOM 1932 CA ASP B 68 -20.565 -16.179 -4.940 1.00 0.00 C ATOM 1933 C ASP B 68 -19.919 -15.029 -5.600 1.00 0.00 C ATOM 1934 O ASP B 68 -19.185 -14.262 -4.962 1.00 0.00 O ATOM 1935 CB ASP B 68 -21.885 -15.705 -4.377 1.00 0.00 C ATOM 1936 CG ASP B 68 -22.966 -15.687 -5.445 1.00 0.00 C ATOM 1937 OD1 ASP B 68 -23.003 -14.766 -6.246 1.00 0.00 O ATOM 1938 OD2 ASP B 68 -23.766 -16.630 -5.525 1.00 0.00 O ATOM 0 H ASP B 68 -18.813 -16.167 -3.787 1.00 0.00 H new ATOM 0 HA ASP B 68 -20.782 -16.994 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP B 68 -22.190 -16.358 -3.559 1.00 0.00 H new ATOM 0 HB3 ASP B 68 -21.767 -14.705 -3.959 1.00 0.00 H new ATOM 1943 N SER B 69 -20.211 -14.878 -6.834 1.00 0.00 N ATOM 1944 CA SER B 69 -19.623 -13.868 -7.619 1.00 0.00 C ATOM 1945 C SER B 69 -20.414 -12.557 -7.523 1.00 0.00 C ATOM 1946 O SER B 69 -19.911 -11.489 -7.873 1.00 0.00 O ATOM 1947 CB SER B 69 -19.461 -14.349 -9.044 1.00 0.00 C ATOM 1948 OG SER B 69 -18.752 -15.591 -9.062 1.00 0.00 O ATOM 0 H SER B 69 -20.878 -15.464 -7.335 1.00 0.00 H new ATOM 0 HA SER B 69 -18.628 -13.650 -7.231 1.00 0.00 H new ATOM 0 HB2 SER B 69 -20.439 -14.472 -9.509 1.00 0.00 H new ATOM 0 HB3 SER B 69 -18.922 -13.604 -9.629 1.00 0.00 H new ATOM 0 HG SER B 69 -18.652 -15.897 -9.988 1.00 0.00 H new ATOM 1954 N SER B 70 -21.629 -12.639 -7.029 1.00 0.00 N ATOM 1955 CA SER B 70 -22.446 -11.473 -6.835 1.00 0.00 C ATOM 1956 C SER B 70 -21.874 -10.683 -5.668 1.00 0.00 C ATOM 1957 O SER B 70 -21.649 -9.477 -5.759 1.00 0.00 O ATOM 1958 CB SER B 70 -23.875 -11.902 -6.534 1.00 0.00 C ATOM 1959 OG SER B 70 -24.333 -12.840 -7.510 1.00 0.00 O ATOM 0 H SER B 70 -22.073 -13.515 -6.753 1.00 0.00 H new ATOM 0 HA SER B 70 -22.452 -10.853 -7.732 1.00 0.00 H new ATOM 0 HB2 SER B 70 -23.925 -12.348 -5.541 1.00 0.00 H new ATOM 0 HB3 SER B 70 -24.528 -11.030 -6.525 1.00 0.00 H new ATOM 0 HG SER B 70 -24.044 -13.742 -7.258 1.00 0.00 H new ATOM 1965 N ARG B 71 -21.545 -11.396 -4.593 1.00 0.00 N ATOM 1966 CA ARG B 71 -21.005 -10.751 -3.422 1.00 0.00 C ATOM 1967 C ARG B 71 -19.522 -10.481 -3.567 1.00 0.00 C ATOM 1968 O ARG B 71 -18.939 -9.833 -2.725 1.00 0.00 O ATOM 1969 CB ARG B 71 -21.393 -11.477 -2.100 1.00 0.00 C ATOM 1970 CG ARG B 71 -20.805 -12.873 -1.818 1.00 0.00 C ATOM 1971 CD ARG B 71 -19.354 -12.807 -1.330 1.00 0.00 C ATOM 1972 NE ARG B 71 -19.105 -11.595 -0.488 1.00 0.00 N ATOM 1973 CZ ARG B 71 -18.928 -11.548 0.850 1.00 0.00 C ATOM 1974 NH1 ARG B 71 -19.022 -12.648 1.588 1.00 0.00 N ATOM 1975 NH2 ARG B 71 -18.673 -10.369 1.438 1.00 0.00 N ATOM 0 H ARG B 71 -21.645 -12.408 -4.518 1.00 0.00 H new ATOM 0 HA ARG B 71 -21.478 -9.772 -3.343 1.00 0.00 H new ATOM 0 HB2 ARG B 71 -21.111 -10.827 -1.272 1.00 0.00 H new ATOM 0 HB3 ARG B 71 -22.479 -11.566 -2.079 1.00 0.00 H new ATOM 0 HG2 ARG B 71 -21.415 -13.377 -1.068 1.00 0.00 H new ATOM 0 HG3 ARG B 71 -20.853 -13.475 -2.725 1.00 0.00 H new ATOM 0 HD2 ARG B 71 -19.123 -13.703 -0.754 1.00 0.00 H new ATOM 0 HD3 ARG B 71 -18.682 -12.798 -2.188 1.00 0.00 H new ATOM 0 HE ARG B 71 -19.064 -10.703 -0.981 1.00 0.00 H new ATOM 0 HH11 ARG B 71 -19.230 -13.543 1.145 1.00 0.00 H new ATOM 0 HH12 ARG B 71 -18.886 -12.598 2.598 1.00 0.00 H new ATOM 0 HH21 ARG B 71 -18.615 -9.520 0.875 1.00 0.00 H new ATOM 0 HH22 ARG B 71 -18.538 -10.321 2.448 1.00 0.00 H new ATOM 1989 N HIS B 72 -18.924 -10.987 -4.647 1.00 0.00 N ATOM 1990 CA HIS B 72 -17.524 -10.697 -4.994 1.00 0.00 C ATOM 1991 C HIS B 72 -17.335 -9.182 -5.105 1.00 0.00 C ATOM 1992 O HIS B 72 -16.322 -8.637 -4.687 1.00 0.00 O ATOM 1993 CB HIS B 72 -17.158 -11.394 -6.342 1.00 0.00 C ATOM 1994 CG HIS B 72 -15.741 -11.169 -6.864 1.00 0.00 C ATOM 1995 ND1 HIS B 72 -14.797 -12.168 -6.991 1.00 0.00 N ATOM 1996 CD2 HIS B 72 -15.139 -10.038 -7.335 1.00 0.00 C ATOM 1997 CE1 HIS B 72 -13.688 -11.632 -7.514 1.00 0.00 C ATOM 1998 NE2 HIS B 72 -13.843 -10.339 -7.743 1.00 0.00 N ATOM 0 H HIS B 72 -19.392 -11.608 -5.307 1.00 0.00 H new ATOM 0 HA HIS B 72 -16.864 -11.082 -4.216 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -17.311 -12.467 -6.224 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -17.860 -11.054 -7.103 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -15.597 -9.061 -7.383 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -12.783 -12.184 -7.722 1.00 0.00 H new ATOM 0 HE2 HIS B 72 -13.156 -9.696 -8.137 1.00 0.00 H new ATOM 2006 N SER B 73 -18.348 -8.511 -5.610 1.00 0.00 N ATOM 2007 CA SER B 73 -18.304 -7.079 -5.790 1.00 0.00 C ATOM 2008 C SER B 73 -18.680 -6.323 -4.507 1.00 0.00 C ATOM 2009 O SER B 73 -18.863 -5.094 -4.518 1.00 0.00 O ATOM 2010 CB SER B 73 -19.197 -6.694 -6.952 1.00 0.00 C ATOM 2011 OG SER B 73 -18.787 -7.401 -8.117 1.00 0.00 O ATOM 0 H SER B 73 -19.223 -8.943 -5.906 1.00 0.00 H new ATOM 0 HA SER B 73 -17.279 -6.788 -6.019 1.00 0.00 H new ATOM 0 HB2 SER B 73 -20.236 -6.926 -6.719 1.00 0.00 H new ATOM 0 HB3 SER B 73 -19.142 -5.620 -7.127 1.00 0.00 H new ATOM 0 HG SER B 73 -19.365 -7.155 -8.869 1.00 0.00 H new ATOM 2017 N LYS B 74 -18.767 -7.043 -3.417 1.00 0.00 N ATOM 2018 CA LYS B 74 -19.020 -6.455 -2.142 1.00 0.00 C ATOM 2019 C LYS B 74 -18.160 -7.111 -1.097 1.00 0.00 C ATOM 2020 O LYS B 74 -18.578 -8.028 -0.356 1.00 0.00 O ATOM 2021 CB LYS B 74 -20.513 -6.399 -1.731 1.00 0.00 C ATOM 2022 CG LYS B 74 -20.797 -5.748 -0.335 1.00 0.00 C ATOM 2023 CD LYS B 74 -20.633 -4.194 -0.255 1.00 0.00 C ATOM 2024 CE LYS B 74 -19.230 -3.684 -0.601 1.00 0.00 C ATOM 2025 NZ LYS B 74 -19.035 -2.262 -0.248 1.00 0.00 N ATOM 0 H LYS B 74 -18.663 -8.057 -3.397 1.00 0.00 H new ATOM 0 HA LYS B 74 -18.743 -5.404 -2.228 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -21.062 -5.843 -2.491 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -20.911 -7.414 -1.728 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -21.815 -6.001 -0.039 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -20.130 -6.202 0.398 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -21.351 -3.730 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -20.887 -3.866 0.753 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -18.489 -4.289 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -19.053 -3.816 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -18.131 -1.928 -0.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -19.813 -1.696 -0.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -19.024 -2.160 0.787 1.00 0.00 H new ATOM 2039 N LEU B 75 -16.944 -6.723 -1.130 1.00 0.00 N ATOM 2040 CA LEU B 75 -15.981 -7.124 -0.189 1.00 0.00 C ATOM 2041 C LEU B 75 -15.317 -5.909 0.354 1.00 0.00 C ATOM 2042 O LEU B 75 -14.815 -5.063 -0.399 1.00 0.00 O ATOM 2043 CB LEU B 75 -14.943 -8.056 -0.796 1.00 0.00 C ATOM 2044 CG LEU B 75 -15.089 -9.553 -0.522 1.00 0.00 C ATOM 2045 CD1 LEU B 75 -15.277 -9.851 0.963 1.00 0.00 C ATOM 2046 CD2 LEU B 75 -16.154 -10.199 -1.384 1.00 0.00 C ATOM 0 H LEU B 75 -16.580 -6.092 -1.844 1.00 0.00 H new ATOM 0 HA LEU B 75 -16.482 -7.677 0.606 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -14.951 -7.910 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -13.962 -7.743 -0.439 1.00 0.00 H new ATOM 0 HG LEU B 75 -14.145 -10.015 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -15.376 -10.927 1.109 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -14.413 -9.488 1.519 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -16.176 -9.352 1.323 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -16.217 -11.262 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -17.117 -9.727 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -15.896 -10.074 -2.436 1.00 0.00 H new ATOM 2058 N GLU B 76 -15.323 -5.808 1.635 1.00 0.00 N ATOM 2059 CA GLU B 76 -14.722 -4.690 2.289 1.00 0.00 C ATOM 2060 C GLU B 76 -13.310 -5.072 2.622 1.00 0.00 C ATOM 2061 O GLU B 76 -13.032 -6.258 2.804 1.00 0.00 O ATOM 2062 CB GLU B 76 -15.490 -4.301 3.563 1.00 0.00 C ATOM 2063 CG GLU B 76 -16.977 -3.987 3.345 1.00 0.00 C ATOM 2064 CD GLU B 76 -17.242 -2.791 2.451 1.00 0.00 C ATOM 2065 OE1 GLU B 76 -16.299 -2.205 1.900 1.00 0.00 O ATOM 2066 OE2 GLU B 76 -18.422 -2.413 2.291 1.00 0.00 O ATOM 0 H GLU B 76 -15.742 -6.494 2.263 1.00 0.00 H new ATOM 0 HA GLU B 76 -14.745 -3.820 1.632 1.00 0.00 H new ATOM 0 HB2 GLU B 76 -15.406 -5.114 4.284 1.00 0.00 H new ATOM 0 HB3 GLU B 76 -15.010 -3.430 4.008 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -17.461 -4.863 2.912 1.00 0.00 H new ATOM 0 HG3 GLU B 76 -17.444 -3.811 4.314 1.00 0.00 H new ATOM 2073 N LYS B 77 -12.426 -4.098 2.700 1.00 0.00 N ATOM 2074 CA LYS B 77 -11.003 -4.329 2.967 1.00 0.00 C ATOM 2075 C LYS B 77 -10.764 -5.275 4.157 1.00 0.00 C ATOM 2076 O LYS B 77 -10.027 -6.250 4.047 1.00 0.00 O ATOM 2077 CB LYS B 77 -10.275 -2.994 3.144 1.00 0.00 C ATOM 2078 CG LYS B 77 -8.827 -3.136 3.586 1.00 0.00 C ATOM 2079 CD LYS B 77 -8.018 -1.839 3.421 1.00 0.00 C ATOM 2080 CE LYS B 77 -7.891 -1.386 1.963 1.00 0.00 C ATOM 2081 NZ LYS B 77 -7.137 -0.116 1.846 1.00 0.00 N ATOM 0 H LYS B 77 -12.667 -3.114 2.581 1.00 0.00 H new ATOM 0 HA LYS B 77 -10.586 -4.839 2.099 1.00 0.00 H new ATOM 0 HB2 LYS B 77 -10.305 -2.447 2.202 1.00 0.00 H new ATOM 0 HB3 LYS B 77 -10.812 -2.393 3.878 1.00 0.00 H new ATOM 0 HG2 LYS B 77 -8.801 -3.444 4.631 1.00 0.00 H new ATOM 0 HG3 LYS B 77 -8.353 -3.929 3.008 1.00 0.00 H new ATOM 0 HD2 LYS B 77 -8.492 -1.047 4.000 1.00 0.00 H new ATOM 0 HD3 LYS B 77 -7.021 -1.985 3.837 1.00 0.00 H new ATOM 0 HE2 LYS B 77 -7.390 -2.161 1.384 1.00 0.00 H new ATOM 0 HE3 LYS B 77 -8.885 -1.260 1.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 -7.072 0.158 0.845 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 -7.629 0.630 2.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 -6.180 -0.244 2.233 1.00 0.00 H new ATOM 2095 N ALA B 78 -11.442 -5.010 5.248 1.00 0.00 N ATOM 2096 CA ALA B 78 -11.340 -5.827 6.460 1.00 0.00 C ATOM 2097 C ALA B 78 -11.805 -7.267 6.212 1.00 0.00 C ATOM 2098 O ALA B 78 -11.283 -8.212 6.801 1.00 0.00 O ATOM 2099 CB ALA B 78 -12.174 -5.209 7.564 1.00 0.00 C ATOM 0 H ALA B 78 -12.085 -4.223 5.333 1.00 0.00 H new ATOM 0 HA ALA B 78 -10.291 -5.857 6.756 1.00 0.00 H new ATOM 0 HB1 ALA B 78 -12.096 -5.819 8.464 1.00 0.00 H new ATOM 0 HB2 ALA B 78 -11.811 -4.203 7.775 1.00 0.00 H new ATOM 0 HB3 ALA B 78 -13.216 -5.160 7.248 1.00 0.00 H new ATOM 2105 N ASP B 79 -12.741 -7.418 5.296 1.00 0.00 N ATOM 2106 CA ASP B 79 -13.355 -8.718 5.002 1.00 0.00 C ATOM 2107 C ASP B 79 -12.466 -9.536 4.137 1.00 0.00 C ATOM 2108 O ASP B 79 -12.351 -10.733 4.313 1.00 0.00 O ATOM 2109 CB ASP B 79 -14.710 -8.568 4.320 1.00 0.00 C ATOM 2110 CG ASP B 79 -15.789 -8.040 5.238 1.00 0.00 C ATOM 2111 OD1 ASP B 79 -16.099 -8.700 6.272 1.00 0.00 O ATOM 2112 OD2 ASP B 79 -16.348 -6.974 4.952 1.00 0.00 O ATOM 0 H ASP B 79 -13.104 -6.651 4.730 1.00 0.00 H new ATOM 0 HA ASP B 79 -13.503 -9.219 5.959 1.00 0.00 H new ATOM 0 HB2 ASP B 79 -14.607 -7.896 3.468 1.00 0.00 H new ATOM 0 HB3 ASP B 79 -15.020 -9.536 3.927 1.00 0.00 H new ATOM 2117 N ILE B 80 -11.843 -8.876 3.206 1.00 0.00 N ATOM 2118 CA ILE B 80 -10.930 -9.497 2.267 1.00 0.00 C ATOM 2119 C ILE B 80 -9.733 -10.052 3.021 1.00 0.00 C ATOM 2120 O ILE B 80 -9.378 -11.225 2.867 1.00 0.00 O ATOM 2121 CB ILE B 80 -10.489 -8.453 1.231 1.00 0.00 C ATOM 2122 CG1 ILE B 80 -11.719 -7.931 0.510 1.00 0.00 C ATOM 2123 CG2 ILE B 80 -9.517 -9.057 0.243 1.00 0.00 C ATOM 2124 CD1 ILE B 80 -11.509 -6.647 -0.234 1.00 0.00 C ATOM 0 H ILE B 80 -11.951 -7.871 3.068 1.00 0.00 H new ATOM 0 HA ILE B 80 -11.422 -10.319 1.748 1.00 0.00 H new ATOM 0 HB ILE B 80 -9.982 -7.632 1.737 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -12.062 -8.691 -0.193 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -12.517 -7.787 1.238 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -9.218 -8.300 -0.482 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -8.637 -9.419 0.774 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -9.995 -9.888 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -12.440 -6.350 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -11.198 -5.869 0.463 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -10.736 -6.787 -0.990 1.00 0.00 H new ATOM 2136 N LEU B 81 -9.154 -9.212 3.871 1.00 0.00 N ATOM 2137 CA LEU B 81 -8.056 -9.613 4.750 1.00 0.00 C ATOM 2138 C LEU B 81 -8.457 -10.840 5.548 1.00 0.00 C ATOM 2139 O LEU B 81 -7.758 -11.855 5.550 1.00 0.00 O ATOM 2140 CB LEU B 81 -7.713 -8.473 5.720 1.00 0.00 C ATOM 2141 CG LEU B 81 -6.670 -7.420 5.295 1.00 0.00 C ATOM 2142 CD1 LEU B 81 -6.952 -6.840 3.911 1.00 0.00 C ATOM 2143 CD2 LEU B 81 -6.651 -6.306 6.329 1.00 0.00 C ATOM 0 H LEU B 81 -9.430 -8.235 3.972 1.00 0.00 H new ATOM 0 HA LEU B 81 -7.184 -9.842 4.137 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -8.639 -7.946 5.949 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -7.365 -8.925 6.649 1.00 0.00 H new ATOM 0 HG LEU B 81 -5.699 -7.912 5.238 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -6.187 -6.104 3.662 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -6.939 -7.641 3.171 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -7.931 -6.361 3.910 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -5.917 -5.554 6.040 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -7.638 -5.846 6.387 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.385 -6.718 7.303 1.00 0.00 H new ATOM 2155 N GLU B 82 -9.635 -10.766 6.143 1.00 0.00 N ATOM 2156 CA GLU B 82 -10.142 -11.811 6.980 1.00 0.00 C ATOM 2157 C GLU B 82 -10.398 -13.096 6.218 1.00 0.00 C ATOM 2158 O GLU B 82 -10.059 -14.145 6.694 1.00 0.00 O ATOM 2159 CB GLU B 82 -11.396 -11.340 7.715 1.00 0.00 C ATOM 2160 CG GLU B 82 -12.095 -12.377 8.513 1.00 0.00 C ATOM 2161 CD GLU B 82 -13.362 -11.878 9.141 1.00 0.00 C ATOM 2162 OE1 GLU B 82 -13.286 -11.188 10.175 1.00 0.00 O ATOM 2163 OE2 GLU B 82 -14.465 -12.195 8.623 1.00 0.00 O ATOM 0 H GLU B 82 -10.263 -9.967 6.051 1.00 0.00 H new ATOM 0 HA GLU B 82 -9.371 -12.042 7.715 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -11.121 -10.520 8.378 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -12.096 -10.937 6.983 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -12.325 -13.228 7.871 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -11.426 -12.738 9.294 1.00 0.00 H new ATOM 2170 N MET B 83 -10.921 -13.007 5.009 1.00 0.00 N ATOM 2171 CA MET B 83 -11.314 -14.199 4.266 1.00 0.00 C ATOM 2172 C MET B 83 -10.080 -15.013 3.921 1.00 0.00 C ATOM 2173 O MET B 83 -10.106 -16.242 3.918 1.00 0.00 O ATOM 2174 CB MET B 83 -12.134 -13.826 3.013 1.00 0.00 C ATOM 2175 CG MET B 83 -12.842 -15.013 2.341 1.00 0.00 C ATOM 2176 SD MET B 83 -13.909 -14.524 0.959 1.00 0.00 S ATOM 2177 CE MET B 83 -15.108 -13.485 1.796 1.00 0.00 C ATOM 0 H MET B 83 -11.085 -12.128 4.519 1.00 0.00 H new ATOM 0 HA MET B 83 -11.963 -14.814 4.890 1.00 0.00 H new ATOM 0 HB2 MET B 83 -12.881 -13.083 3.291 1.00 0.00 H new ATOM 0 HB3 MET B 83 -11.471 -13.355 2.287 1.00 0.00 H new ATOM 0 HG2 MET B 83 -12.092 -15.717 1.980 1.00 0.00 H new ATOM 0 HG3 MET B 83 -13.441 -15.538 3.085 1.00 0.00 H new ATOM 0 HE1 MET B 83 -15.919 -13.240 1.110 1.00 0.00 H new ATOM 0 HE2 MET B 83 -15.510 -14.016 2.659 1.00 0.00 H new ATOM 0 HE3 MET B 83 -14.624 -12.567 2.129 1.00 0.00 H new ATOM 2187 N THR B 84 -8.998 -14.307 3.727 1.00 0.00 N ATOM 2188 CA THR B 84 -7.717 -14.880 3.449 1.00 0.00 C ATOM 2189 C THR B 84 -7.174 -15.590 4.712 1.00 0.00 C ATOM 2190 O THR B 84 -6.770 -16.751 4.653 1.00 0.00 O ATOM 2191 CB THR B 84 -6.778 -13.752 3.004 1.00 0.00 C ATOM 2192 OG1 THR B 84 -7.508 -12.960 2.071 1.00 0.00 O ATOM 2193 CG2 THR B 84 -5.556 -14.289 2.275 1.00 0.00 C ATOM 0 H THR B 84 -8.988 -13.288 3.760 1.00 0.00 H new ATOM 0 HA THR B 84 -7.792 -15.625 2.657 1.00 0.00 H new ATOM 0 HB THR B 84 -6.444 -13.198 3.881 1.00 0.00 H new ATOM 0 HG1 THR B 84 -7.924 -12.205 2.538 1.00 0.00 H new ATOM 0 HG21 THR B 84 -4.916 -13.458 1.976 1.00 0.00 H new ATOM 0 HG22 THR B 84 -5.001 -14.955 2.936 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.873 -14.839 1.389 1.00 0.00 H new ATOM 2201 N VAL B 85 -7.221 -14.899 5.858 1.00 0.00 N ATOM 2202 CA VAL B 85 -6.768 -15.466 7.140 1.00 0.00 C ATOM 2203 C VAL B 85 -7.638 -16.677 7.537 1.00 0.00 C ATOM 2204 O VAL B 85 -7.146 -17.668 8.057 1.00 0.00 O ATOM 2205 CB VAL B 85 -6.855 -14.428 8.275 1.00 0.00 C ATOM 2206 CG1 VAL B 85 -6.322 -14.948 9.599 1.00 0.00 C ATOM 2207 CG2 VAL B 85 -6.182 -13.158 7.917 1.00 0.00 C ATOM 0 H VAL B 85 -7.569 -13.943 5.926 1.00 0.00 H new ATOM 0 HA VAL B 85 -5.731 -15.772 7.002 1.00 0.00 H new ATOM 0 HB VAL B 85 -7.919 -14.232 8.407 1.00 0.00 H new ATOM 0 HG11 VAL B 85 -6.411 -14.170 10.358 1.00 0.00 H new ATOM 0 HG12 VAL B 85 -6.898 -15.821 9.905 1.00 0.00 H new ATOM 0 HG13 VAL B 85 -5.274 -15.226 9.485 1.00 0.00 H new ATOM 0 HG21 VAL B 85 -6.268 -12.455 8.745 1.00 0.00 H new ATOM 0 HG22 VAL B 85 -5.129 -13.350 7.711 1.00 0.00 H new ATOM 0 HG23 VAL B 85 -6.654 -12.734 7.031 1.00 0.00 H new ATOM 2217 N LYS B 86 -8.929 -16.591 7.298 1.00 0.00 N ATOM 2218 CA LYS B 86 -9.830 -17.681 7.632 1.00 0.00 C ATOM 2219 C LYS B 86 -9.584 -18.889 6.730 1.00 0.00 C ATOM 2220 O LYS B 86 -9.615 -20.036 7.184 1.00 0.00 O ATOM 2221 CB LYS B 86 -11.285 -17.225 7.593 1.00 0.00 C ATOM 2222 CG LYS B 86 -11.523 -15.988 8.454 1.00 0.00 C ATOM 2223 CD LYS B 86 -12.971 -15.677 8.666 1.00 0.00 C ATOM 2224 CE LYS B 86 -13.675 -15.316 7.377 1.00 0.00 C ATOM 2225 NZ LYS B 86 -15.006 -14.743 7.647 1.00 0.00 N ATOM 0 H LYS B 86 -9.381 -15.780 6.875 1.00 0.00 H new ATOM 0 HA LYS B 86 -9.621 -17.993 8.655 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -11.569 -17.009 6.563 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -11.928 -18.035 7.938 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -11.045 -16.132 9.423 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -11.040 -15.131 7.985 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -13.463 -16.539 9.117 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -13.064 -14.851 9.372 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -13.073 -14.600 6.818 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -13.777 -16.204 6.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -15.560 -14.723 6.767 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -15.498 -15.326 8.354 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -14.900 -13.775 8.011 1.00 0.00 H new ATOM 2239 N HIS B 87 -9.272 -18.625 5.467 1.00 0.00 N ATOM 2240 CA HIS B 87 -8.932 -19.683 4.526 1.00 0.00 C ATOM 2241 C HIS B 87 -7.571 -20.284 4.913 1.00 0.00 C ATOM 2242 O HIS B 87 -7.303 -21.460 4.671 1.00 0.00 O ATOM 2243 CB HIS B 87 -8.926 -19.130 3.088 1.00 0.00 C ATOM 2244 CG HIS B 87 -8.677 -20.143 1.996 1.00 0.00 C ATOM 2245 ND1 HIS B 87 -8.183 -19.814 0.764 1.00 0.00 N ATOM 2246 CD2 HIS B 87 -8.904 -21.481 1.953 1.00 0.00 C ATOM 2247 CE1 HIS B 87 -8.126 -20.915 0.028 1.00 0.00 C ATOM 2248 NE2 HIS B 87 -8.548 -21.959 0.696 1.00 0.00 N ATOM 0 H HIS B 87 -9.248 -17.685 5.071 1.00 0.00 H new ATOM 0 HA HIS B 87 -9.680 -20.475 4.566 1.00 0.00 H new ATOM 0 HB2 HIS B 87 -9.886 -18.649 2.900 1.00 0.00 H new ATOM 0 HB3 HIS B 87 -8.162 -18.355 3.020 1.00 0.00 H new ATOM 0 HD2 HIS B 87 -9.297 -22.077 2.763 1.00 0.00 H new ATOM 0 HE1 HIS B 87 -7.776 -20.947 -0.993 1.00 0.00 H new ATOM 0 HE2 HIS B 87 -8.604 -22.922 0.364 1.00 0.00 H new ATOM 2256 N LEU B 88 -6.741 -19.465 5.548 1.00 0.00 N ATOM 2257 CA LEU B 88 -5.462 -19.890 6.073 1.00 0.00 C ATOM 2258 C LEU B 88 -5.679 -20.994 7.091 1.00 0.00 C ATOM 2259 O LEU B 88 -5.025 -22.022 7.024 1.00 0.00 O ATOM 2260 CB LEU B 88 -4.720 -18.686 6.676 1.00 0.00 C ATOM 2261 CG LEU B 88 -3.505 -18.951 7.571 1.00 0.00 C ATOM 2262 CD1 LEU B 88 -2.428 -19.720 6.848 1.00 0.00 C ATOM 2263 CD2 LEU B 88 -2.960 -17.642 8.086 1.00 0.00 C ATOM 0 H LEU B 88 -6.945 -18.479 5.711 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.839 -20.289 5.272 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -4.393 -18.051 5.852 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -5.440 -18.109 7.256 1.00 0.00 H new ATOM 0 HG LEU B 88 -3.833 -19.567 8.409 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -1.586 -19.886 7.520 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -2.825 -20.681 6.520 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -2.094 -19.150 5.981 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -2.096 -17.833 8.722 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -2.660 -17.017 7.245 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -3.730 -17.129 8.663 1.00 0.00 H new ATOM 2275 N ARG B 89 -6.649 -20.800 7.997 1.00 0.00 N ATOM 2276 CA ARG B 89 -7.000 -21.849 8.963 1.00 0.00 C ATOM 2277 C ARG B 89 -7.421 -23.098 8.231 1.00 0.00 C ATOM 2278 O ARG B 89 -6.925 -24.173 8.511 1.00 0.00 O ATOM 2279 CB ARG B 89 -8.147 -21.465 9.915 1.00 0.00 C ATOM 2280 CG ARG B 89 -7.813 -20.570 11.099 1.00 0.00 C ATOM 2281 CD ARG B 89 -7.501 -19.156 10.706 1.00 0.00 C ATOM 2282 NE ARG B 89 -7.372 -18.303 11.894 1.00 0.00 N ATOM 2283 CZ ARG B 89 -8.079 -17.188 12.131 1.00 0.00 C ATOM 2284 NH1 ARG B 89 -9.022 -16.797 11.283 1.00 0.00 N ATOM 2285 NH2 ARG B 89 -7.878 -16.500 13.244 1.00 0.00 N ATOM 0 H ARG B 89 -7.195 -19.943 8.080 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.103 -22.004 9.562 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -8.919 -20.969 9.327 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.583 -22.385 10.303 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -8.653 -20.570 11.793 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.959 -20.988 11.632 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -6.576 -19.129 10.131 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -8.289 -18.771 10.060 1.00 0.00 H new ATOM 0 HE ARG B 89 -6.688 -18.581 12.598 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.213 -17.345 10.445 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -9.556 -15.948 11.470 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -7.185 -16.818 13.922 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -8.416 -15.652 13.424 1.00 0.00 H new ATOM 2299 N ASN B 90 -8.309 -22.923 7.258 1.00 0.00 N ATOM 2300 CA ASN B 90 -8.879 -24.029 6.476 1.00 0.00 C ATOM 2301 C ASN B 90 -7.820 -24.874 5.848 1.00 0.00 C ATOM 2302 O ASN B 90 -7.827 -26.097 5.990 1.00 0.00 O ATOM 2303 CB ASN B 90 -9.841 -23.536 5.402 1.00 0.00 C ATOM 2304 CG ASN B 90 -11.091 -22.892 5.954 1.00 0.00 C ATOM 2305 OD1 ASN B 90 -11.567 -23.247 7.042 1.00 0.00 O ATOM 2306 ND2 ASN B 90 -11.649 -21.973 5.215 1.00 0.00 N ATOM 0 H ASN B 90 -8.660 -22.005 6.983 1.00 0.00 H new ATOM 0 HA ASN B 90 -9.436 -24.640 7.186 1.00 0.00 H new ATOM 0 HB2 ASN B 90 -9.324 -22.818 4.766 1.00 0.00 H new ATOM 0 HB3 ASN B 90 -10.125 -24.376 4.768 1.00 0.00 H new ATOM 0 HD21 ASN B 90 -12.508 -21.519 5.527 1.00 0.00 H new ATOM 0 HD22 ASN B 90 -11.227 -21.708 4.325 1.00 0.00 H new ATOM 2313 N LEU B 91 -6.904 -24.238 5.179 1.00 0.00 N ATOM 2314 CA LEU B 91 -5.829 -24.944 4.563 1.00 0.00 C ATOM 2315 C LEU B 91 -4.945 -25.571 5.621 1.00 0.00 C ATOM 2316 O LEU B 91 -4.645 -26.744 5.548 1.00 0.00 O ATOM 2317 CB LEU B 91 -5.038 -24.023 3.652 1.00 0.00 C ATOM 2318 CG LEU B 91 -5.820 -23.450 2.469 1.00 0.00 C ATOM 2319 CD1 LEU B 91 -4.992 -22.430 1.730 1.00 0.00 C ATOM 2320 CD2 LEU B 91 -6.262 -24.564 1.525 1.00 0.00 C ATOM 0 H LEU B 91 -6.883 -23.227 5.048 1.00 0.00 H new ATOM 0 HA LEU B 91 -6.237 -25.744 3.946 1.00 0.00 H new ATOM 0 HB2 LEU B 91 -4.650 -23.195 4.246 1.00 0.00 H new ATOM 0 HB3 LEU B 91 -4.177 -24.570 3.267 1.00 0.00 H new ATOM 0 HG LEU B 91 -6.711 -22.955 2.857 1.00 0.00 H new ATOM 0 HD11 LEU B 91 -5.566 -22.034 0.892 1.00 0.00 H new ATOM 0 HD12 LEU B 91 -4.728 -21.617 2.406 1.00 0.00 H new ATOM 0 HD13 LEU B 91 -4.083 -22.901 1.357 1.00 0.00 H new ATOM 0 HD21 LEU B 91 -6.817 -24.135 0.690 1.00 0.00 H new ATOM 0 HD22 LEU B 91 -5.385 -25.089 1.146 1.00 0.00 H new ATOM 0 HD23 LEU B 91 -6.900 -25.265 2.063 1.00 0.00 H new ATOM 2332 N GLN B 92 -4.652 -24.821 6.671 1.00 0.00 N ATOM 2333 CA GLN B 92 -3.742 -25.267 7.754 1.00 0.00 C ATOM 2334 C GLN B 92 -4.279 -26.480 8.529 1.00 0.00 C ATOM 2335 O GLN B 92 -3.539 -27.135 9.258 1.00 0.00 O ATOM 2336 CB GLN B 92 -3.419 -24.108 8.706 1.00 0.00 C ATOM 2337 CG GLN B 92 -2.289 -23.196 8.246 1.00 0.00 C ATOM 2338 CD GLN B 92 -0.918 -23.790 8.498 1.00 0.00 C ATOM 2339 OE1 GLN B 92 -0.414 -24.538 7.570 1.00 0.00 O flip ATOM 2340 NE2 GLN B 92 -0.325 -23.578 9.556 1.00 0.00 N flip ATOM 0 H GLN B 92 -5.030 -23.884 6.812 1.00 0.00 H new ATOM 0 HA GLN B 92 -2.821 -25.593 7.271 1.00 0.00 H new ATOM 0 HB2 GLN B 92 -4.318 -23.507 8.842 1.00 0.00 H new ATOM 0 HB3 GLN B 92 -3.160 -24.520 9.681 1.00 0.00 H new ATOM 0 HG2 GLN B 92 -2.402 -22.993 7.181 1.00 0.00 H new ATOM 0 HG3 GLN B 92 -2.366 -22.239 8.763 1.00 0.00 H new ATOM 0 HE21 GLN B 92 -0.749 -22.983 10.268 1.00 0.00 H new ATOM 0 HE22 GLN B 92 0.590 -23.997 9.720 1.00 0.00 H new ATOM 2349 N ARG B 93 -5.546 -26.775 8.352 1.00 0.00 N ATOM 2350 CA ARG B 93 -6.165 -27.924 9.003 1.00 0.00 C ATOM 2351 C ARG B 93 -6.573 -28.976 7.986 1.00 0.00 C ATOM 2352 O ARG B 93 -7.224 -29.953 8.315 1.00 0.00 O ATOM 2353 CB ARG B 93 -7.338 -27.489 9.901 1.00 0.00 C ATOM 2354 CG ARG B 93 -8.411 -26.660 9.212 1.00 0.00 C ATOM 2355 CD ARG B 93 -9.456 -27.476 8.452 1.00 0.00 C ATOM 2356 NE ARG B 93 -10.517 -26.600 7.924 1.00 0.00 N ATOM 2357 CZ ARG B 93 -11.443 -26.931 7.012 1.00 0.00 C ATOM 2358 NH1 ARG B 93 -11.465 -28.163 6.489 1.00 0.00 N ATOM 2359 NH2 ARG B 93 -12.337 -26.018 6.624 1.00 0.00 N ATOM 0 H ARG B 93 -6.178 -26.236 7.760 1.00 0.00 H new ATOM 0 HA ARG B 93 -5.424 -28.386 9.655 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -7.804 -28.381 10.319 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -6.940 -26.915 10.738 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -8.918 -26.052 9.961 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -7.930 -25.973 8.516 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -8.979 -28.013 7.632 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -9.891 -28.225 9.113 1.00 0.00 H new ATOM 0 HE ARG B 93 -10.550 -25.648 8.288 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -10.776 -28.855 6.784 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -12.171 -28.410 5.796 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -12.312 -25.079 7.021 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -13.045 -26.260 5.931 1.00 0.00 H new ATOM 2373 N ALA B 94 -6.176 -28.769 6.760 1.00 0.00 N ATOM 2374 CA ALA B 94 -6.445 -29.713 5.689 1.00 0.00 C ATOM 2375 C ALA B 94 -5.286 -30.688 5.587 1.00 0.00 C ATOM 2376 O ALA B 94 -5.366 -31.732 4.922 1.00 0.00 O ATOM 2377 CB ALA B 94 -6.599 -28.962 4.372 1.00 0.00 C ATOM 0 H ALA B 94 -5.656 -27.942 6.466 1.00 0.00 H new ATOM 0 HA ALA B 94 -7.366 -30.257 5.900 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -6.801 -29.672 3.570 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -7.427 -28.257 4.450 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -5.680 -28.419 4.153 1.00 0.00 H new ATOM 2383 N GLN B 95 -4.237 -30.354 6.283 1.00 0.00 N ATOM 2384 CA GLN B 95 -3.009 -31.068 6.231 1.00 0.00 C ATOM 2385 C GLN B 95 -2.708 -31.729 7.569 1.00 0.00 C ATOM 2386 O GLN B 95 -2.913 -32.957 7.683 1.00 0.00 O ATOM 2387 CB GLN B 95 -1.899 -30.128 5.739 1.00 0.00 C ATOM 2388 CG GLN B 95 -1.762 -28.830 6.529 1.00 0.00 C ATOM 2389 CD GLN B 95 -1.220 -27.720 5.682 1.00 0.00 C ATOM 2390 OE1 GLN B 95 -0.020 -27.517 5.570 1.00 0.00 O ATOM 2391 NE2 GLN B 95 -2.111 -26.972 5.112 1.00 0.00 N ATOM 0 H GLN B 95 -4.220 -29.555 6.917 1.00 0.00 H new ATOM 0 HA GLN B 95 -3.077 -31.887 5.515 1.00 0.00 H new ATOM 0 HB2 GLN B 95 -0.949 -30.661 5.775 1.00 0.00 H new ATOM 0 HB3 GLN B 95 -2.087 -29.882 4.694 1.00 0.00 H new ATOM 0 HG2 GLN B 95 -2.735 -28.542 6.927 1.00 0.00 H new ATOM 0 HG3 GLN B 95 -1.103 -28.991 7.382 1.00 0.00 H new ATOM 0 HE21 GLN B 95 -3.103 -27.178 5.232 1.00 0.00 H new ATOM 0 HE22 GLN B 95 -1.821 -26.177 4.543 1.00 0.00 H new