USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 367 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 Single : A 23 LYS NZ :NH3+ -163:sc= 0.123 (180deg=-0.0261) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0773 K(o=-0.077,f=-1.4!) USER MOD Single : A 30 LYS NZ :NH3+ 159:sc= -0.0648 (180deg=-0.34) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 57 HIS : no HD1:sc= -0.0667 X(o=-0.067,f=-0.51) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.426 F(o=-4!,f=-0.43) USER MOD Single : A 77 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.014) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -4.01 K(o=-4,f=-8.6!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -76:sc= 1.04 USER MOD Single : A 101 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -5.640 32.075 16.946 1.00 32.13 N ATOM 281 CA LYS A 23 -6.795 31.387 16.383 1.00 54.31 C ATOM 282 C LYS A 23 -6.464 30.795 15.017 1.00 50.55 C ATOM 283 O LYS A 23 -6.340 29.578 14.870 1.00 62.45 O ATOM 284 CB LYS A 23 -7.978 32.349 16.259 1.00 73.23 C ATOM 285 CG LYS A 23 -7.578 33.755 15.848 1.00 50.04 C ATOM 286 CD LYS A 23 -8.065 34.789 16.849 1.00 22.22 C ATOM 287 CE LYS A 23 -7.069 34.981 17.982 1.00 42.03 C ATOM 288 NZ LYS A 23 -7.238 33.955 19.049 1.00 5.30 N ATOM 0 HA LYS A 23 -7.065 30.574 17.057 1.00 54.31 H new ATOM 0 HB2 LYS A 23 -8.683 31.953 15.528 1.00 73.23 H new ATOM 0 HB3 LYS A 23 -8.501 32.394 17.214 1.00 73.23 H new ATOM 0 HG2 LYS A 23 -6.493 33.815 15.761 1.00 50.04 H new ATOM 0 HG3 LYS A 23 -7.990 33.978 14.864 1.00 50.04 H new ATOM 0 HD2 LYS A 23 -8.228 35.740 16.341 1.00 22.22 H new ATOM 0 HD3 LYS A 23 -9.026 34.477 17.257 1.00 22.22 H new ATOM 0 HE2 LYS A 23 -6.055 34.930 17.586 1.00 42.03 H new ATOM 0 HE3 LYS A 23 -7.194 35.975 18.411 1.00 42.03 H new ATOM 0 HZ1 LYS A 23 -6.760 34.273 19.916 1.00 5.30 H new ATOM 0 HZ2 LYS A 23 -8.251 33.819 19.243 1.00 5.30 H new ATOM 0 HZ3 LYS A 23 -6.822 33.055 18.735 1.00 5.30 H new ATOM 298 N SER A 24 -6.321 31.661 14.020 1.00 44.03 N ATOM 299 CA SER A 24 -6.006 31.224 12.665 1.00 52.12 C ATOM 300 C SER A 24 -5.020 30.059 12.686 1.00 31.34 C ATOM 301 O SER A 24 -5.037 29.201 11.803 1.00 60.33 O ATOM 302 CB SER A 24 -5.426 32.383 11.853 1.00 25.54 C ATOM 303 OG SER A 24 -6.310 32.773 10.817 1.00 31.04 O ATOM 0 H SER A 24 -6.418 32.671 14.125 1.00 44.03 H new ATOM 0 HA SER A 24 -6.930 30.888 12.194 1.00 52.12 H new ATOM 0 HB2 SER A 24 -5.234 33.231 12.510 1.00 25.54 H new ATOM 0 HB3 SER A 24 -4.468 32.088 11.426 1.00 25.54 H new ATOM 0 HG SER A 24 -5.917 33.516 10.314 1.00 31.04 H new ATOM 308 N TYR A 25 -4.161 30.038 13.699 1.00 15.34 N ATOM 309 CA TYR A 25 -3.166 28.981 13.835 1.00 42.03 C ATOM 310 C TYR A 25 -3.759 27.760 14.532 1.00 20.11 C ATOM 311 O TYR A 25 -3.738 26.654 13.995 1.00 54.43 O ATOM 312 CB TYR A 25 -1.954 29.491 14.616 1.00 32.41 C ATOM 313 CG TYR A 25 -1.287 30.692 13.984 1.00 53.10 C ATOM 314 CD1 TYR A 25 -1.963 31.899 13.857 1.00 10.20 C ATOM 315 CD2 TYR A 25 0.018 30.620 13.516 1.00 41.45 C ATOM 316 CE1 TYR A 25 -1.359 32.999 13.279 1.00 41.34 C ATOM 317 CE2 TYR A 25 0.632 31.714 12.939 1.00 2.03 C ATOM 318 CZ TYR A 25 -0.060 32.902 12.822 1.00 14.22 C ATOM 319 OH TYR A 25 0.546 33.995 12.248 1.00 1.20 O ATOM 0 H TYR A 25 -4.134 30.741 14.438 1.00 15.34 H new ATOM 0 HA TYR A 25 -2.847 28.686 12.835 1.00 42.03 H new ATOM 0 HB2 TYR A 25 -2.267 29.750 15.627 1.00 32.41 H new ATOM 0 HB3 TYR A 25 -1.225 28.686 14.705 1.00 32.41 H new ATOM 0 HD1 TYR A 25 -2.978 31.979 14.216 1.00 10.20 H new ATOM 0 HD2 TYR A 25 0.563 29.692 13.605 1.00 41.45 H new ATOM 0 HE1 TYR A 25 -1.900 33.929 13.185 1.00 41.34 H new ATOM 0 HE2 TYR A 25 1.648 31.640 12.581 1.00 2.03 H new ATOM 0 HH TYR A 25 1.459 33.760 11.981 1.00 1.20 H new ATOM 328 N ALA A 26 -4.288 27.972 15.733 1.00 24.33 N ATOM 329 CA ALA A 26 -4.889 26.891 16.504 1.00 10.11 C ATOM 330 C ALA A 26 -6.209 26.444 15.886 1.00 24.50 C ATOM 331 O ALA A 26 -6.437 25.252 15.684 1.00 22.02 O ATOM 332 CB ALA A 26 -5.099 27.326 17.947 1.00 34.35 C ATOM 0 H ALA A 26 -4.312 28.882 16.193 1.00 24.33 H new ATOM 0 HA ALA A 26 -4.205 26.042 16.488 1.00 10.11 H new ATOM 0 HB1 ALA A 26 -5.549 26.509 18.512 1.00 34.35 H new ATOM 0 HB2 ALA A 26 -4.139 27.589 18.391 1.00 34.35 H new ATOM 0 HB3 ALA A 26 -5.760 28.192 17.973 1.00 34.35 H new ATOM 338 N GLU A 27 -7.074 27.409 15.589 1.00 54.42 N ATOM 339 CA GLU A 27 -8.372 27.112 14.995 1.00 32.14 C ATOM 340 C GLU A 27 -8.224 26.168 13.805 1.00 22.44 C ATOM 341 O GLU A 27 -8.825 25.094 13.772 1.00 24.12 O ATOM 342 CB GLU A 27 -9.063 28.404 14.552 1.00 52.45 C ATOM 343 CG GLU A 27 -10.496 28.200 14.089 1.00 5.05 C ATOM 344 CD GLU A 27 -11.509 28.805 15.041 1.00 42.32 C ATOM 345 OE1 GLU A 27 -11.385 30.007 15.355 1.00 44.43 O ATOM 346 OE2 GLU A 27 -12.427 28.076 15.472 1.00 2.51 O ATOM 0 H GLU A 27 -6.900 28.401 15.750 1.00 54.42 H new ATOM 0 HA GLU A 27 -8.984 26.621 15.751 1.00 32.14 H new ATOM 0 HB2 GLU A 27 -9.055 29.113 15.380 1.00 52.45 H new ATOM 0 HB3 GLU A 27 -8.489 28.854 13.742 1.00 52.45 H new ATOM 0 HG2 GLU A 27 -10.621 28.644 13.101 1.00 5.05 H new ATOM 0 HG3 GLU A 27 -10.692 27.133 13.986 1.00 5.05 H new ATOM 351 N GLN A 28 -7.420 26.578 12.830 1.00 3.44 N ATOM 352 CA GLN A 28 -7.193 25.770 11.637 1.00 44.13 C ATOM 353 C GLN A 28 -6.849 24.333 12.010 1.00 44.34 C ATOM 354 O GLN A 28 -7.222 23.392 11.311 1.00 11.12 O ATOM 355 CB GLN A 28 -6.069 26.374 10.792 1.00 71.22 C ATOM 356 CG GLN A 28 -6.565 27.140 9.576 1.00 61.22 C ATOM 357 CD GLN A 28 -5.589 27.092 8.418 1.00 23.50 C ATOM 358 OE1 GLN A 28 -4.457 26.631 8.564 1.00 44.55 O ATOM 359 NE2 GLN A 28 -6.022 27.570 7.258 1.00 60.41 N ATOM 0 H GLN A 28 -6.915 27.464 12.842 1.00 3.44 H new ATOM 0 HA GLN A 28 -8.113 25.764 11.053 1.00 44.13 H new ATOM 0 HB2 GLN A 28 -5.477 27.043 11.416 1.00 71.22 H new ATOM 0 HB3 GLN A 28 -5.405 25.575 10.462 1.00 71.22 H new ATOM 0 HG2 GLN A 28 -7.522 26.727 9.257 1.00 61.22 H new ATOM 0 HG3 GLN A 28 -6.743 28.179 9.854 1.00 61.22 H new ATOM 0 HE21 GLN A 28 -6.968 27.943 7.181 1.00 60.41 H new ATOM 0 HE22 GLN A 28 -5.408 27.564 6.443 1.00 60.41 H new ATOM 366 N GLY A 29 -6.132 24.170 13.119 1.00 54.35 N ATOM 367 CA GLY A 29 -5.748 22.844 13.566 1.00 10.41 C ATOM 368 C GLY A 29 -6.894 22.100 14.224 1.00 44.43 C ATOM 369 O GLY A 29 -7.004 20.879 14.100 1.00 30.12 O ATOM 0 H GLY A 29 -5.811 24.933 13.715 1.00 54.35 H new ATOM 0 HA2 GLY A 29 -5.386 22.268 12.715 1.00 10.41 H new ATOM 0 HA3 GLY A 29 -4.920 22.927 14.270 1.00 10.41 H new ATOM 372 N LYS A 30 -7.748 22.834 14.927 1.00 2.24 N ATOM 373 CA LYS A 30 -8.891 22.238 15.608 1.00 60.21 C ATOM 374 C LYS A 30 -9.996 21.891 14.615 1.00 22.23 C ATOM 375 O LYS A 30 -10.532 20.784 14.630 1.00 25.12 O ATOM 376 CB LYS A 30 -9.431 23.193 16.674 1.00 62.12 C ATOM 377 CG LYS A 30 -9.096 22.771 18.094 1.00 72.13 C ATOM 378 CD LYS A 30 -9.191 23.939 19.062 1.00 35.25 C ATOM 379 CE LYS A 30 -10.619 24.150 19.542 1.00 12.30 C ATOM 380 NZ LYS A 30 -11.078 23.039 20.422 1.00 25.20 N ATOM 0 H LYS A 30 -7.670 23.845 15.041 1.00 2.24 H new ATOM 0 HA LYS A 30 -8.556 21.319 16.089 1.00 60.21 H new ATOM 0 HB2 LYS A 30 -9.027 24.190 16.495 1.00 62.12 H new ATOM 0 HB3 LYS A 30 -10.514 23.265 16.571 1.00 62.12 H new ATOM 0 HG2 LYS A 30 -9.777 21.980 18.409 1.00 72.13 H new ATOM 0 HG3 LYS A 30 -8.089 22.355 18.123 1.00 72.13 H new ATOM 0 HD2 LYS A 30 -8.541 23.757 19.918 1.00 35.25 H new ATOM 0 HD3 LYS A 30 -8.832 24.846 18.576 1.00 35.25 H new ATOM 0 HE2 LYS A 30 -10.684 25.093 20.084 1.00 12.30 H new ATOM 0 HE3 LYS A 30 -11.283 24.230 18.682 1.00 12.30 H new ATOM 0 HZ1 LYS A 30 -11.877 23.364 21.003 1.00 25.20 H new ATOM 0 HZ2 LYS A 30 -11.380 22.234 19.836 1.00 25.20 H new ATOM 0 HZ3 LYS A 30 -10.298 22.742 21.042 1.00 25.20 H new ATOM 390 N GLU A 31 -10.331 22.847 13.752 1.00 13.33 N ATOM 391 CA GLU A 31 -11.371 22.640 12.751 1.00 71.41 C ATOM 392 C GLU A 31 -11.191 21.298 12.048 1.00 22.25 C ATOM 393 O GLU A 31 -12.163 20.670 11.629 1.00 10.44 O ATOM 394 CB GLU A 31 -11.355 23.774 11.724 1.00 61.33 C ATOM 395 CG GLU A 31 -10.039 23.896 10.974 1.00 12.44 C ATOM 396 CD GLU A 31 -10.132 24.825 9.779 1.00 33.41 C ATOM 397 OE1 GLU A 31 -10.674 25.940 9.936 1.00 4.11 O ATOM 398 OE2 GLU A 31 -9.664 24.438 8.688 1.00 74.22 O ATOM 0 H GLU A 31 -9.898 23.770 13.727 1.00 13.33 H new ATOM 0 HA GLU A 31 -12.334 22.636 13.261 1.00 71.41 H new ATOM 0 HB2 GLU A 31 -12.159 23.614 11.006 1.00 61.33 H new ATOM 0 HB3 GLU A 31 -11.563 24.716 12.232 1.00 61.33 H new ATOM 0 HG2 GLU A 31 -9.270 24.261 11.654 1.00 12.44 H new ATOM 0 HG3 GLU A 31 -9.724 22.908 10.638 1.00 12.44 H new ATOM 403 N TYR A 32 -9.942 20.867 11.920 1.00 61.14 N ATOM 404 CA TYR A 32 -9.633 19.602 11.264 1.00 63.03 C ATOM 405 C TYR A 32 -9.879 18.427 12.205 1.00 40.22 C ATOM 406 O TYR A 32 -10.325 17.361 11.780 1.00 33.44 O ATOM 407 CB TYR A 32 -8.179 19.593 10.788 1.00 31.31 C ATOM 408 CG TYR A 32 -7.728 18.255 10.248 1.00 11.31 C ATOM 409 CD1 TYR A 32 -7.527 17.172 11.095 1.00 61.22 C ATOM 410 CD2 TYR A 32 -7.503 18.072 8.888 1.00 72.11 C ATOM 411 CE1 TYR A 32 -7.114 15.949 10.605 1.00 75.45 C ATOM 412 CE2 TYR A 32 -7.092 16.852 8.390 1.00 70.14 C ATOM 413 CZ TYR A 32 -6.898 15.793 9.252 1.00 62.42 C ATOM 414 OH TYR A 32 -6.488 14.574 8.761 1.00 21.31 O ATOM 0 H TYR A 32 -9.126 21.375 12.262 1.00 61.14 H new ATOM 0 HA TYR A 32 -10.292 19.498 10.402 1.00 63.03 H new ATOM 0 HB2 TYR A 32 -8.054 20.349 10.013 1.00 31.31 H new ATOM 0 HB3 TYR A 32 -7.532 19.878 11.618 1.00 31.31 H new ATOM 0 HD1 TYR A 32 -7.697 17.289 12.155 1.00 61.22 H new ATOM 0 HD2 TYR A 32 -7.652 18.899 8.210 1.00 72.11 H new ATOM 0 HE1 TYR A 32 -6.961 15.118 11.278 1.00 75.45 H new ATOM 0 HE2 TYR A 32 -6.923 16.727 7.331 1.00 70.14 H new ATOM 0 HH TYR A 32 -6.382 14.632 7.788 1.00 21.31 H new ATOM 423 N ILE A 33 -9.584 18.629 13.485 1.00 40.11 N ATOM 424 CA ILE A 33 -9.775 17.587 14.486 1.00 42.13 C ATOM 425 C ILE A 33 -11.216 17.560 14.984 1.00 2.01 C ATOM 426 O ILE A 33 -11.907 16.548 14.867 1.00 50.32 O ATOM 427 CB ILE A 33 -8.831 17.783 15.688 1.00 51.01 C ATOM 428 CG1 ILE A 33 -7.437 17.243 15.363 1.00 25.24 C ATOM 429 CG2 ILE A 33 -9.396 17.095 16.922 1.00 35.04 C ATOM 430 CD1 ILE A 33 -6.706 18.054 14.315 1.00 64.11 C ATOM 0 H ILE A 33 -9.212 19.505 13.853 1.00 40.11 H new ATOM 0 HA ILE A 33 -9.543 16.638 14.003 1.00 42.13 H new ATOM 0 HB ILE A 33 -8.748 18.850 15.896 1.00 51.01 H new ATOM 0 HG12 ILE A 33 -6.842 17.222 16.276 1.00 25.24 H new ATOM 0 HG13 ILE A 33 -7.526 16.213 15.017 1.00 25.24 H new ATOM 0 HG21 ILE A 33 -8.718 17.242 17.763 1.00 35.04 H new ATOM 0 HG22 ILE A 33 -10.370 17.521 17.162 1.00 35.04 H new ATOM 0 HG23 ILE A 33 -9.505 16.028 16.726 1.00 35.04 H new ATOM 0 HD11 ILE A 33 -5.725 17.615 14.134 1.00 64.11 H new ATOM 0 HD12 ILE A 33 -7.280 18.054 13.389 1.00 64.11 H new ATOM 0 HD13 ILE A 33 -6.585 19.079 14.667 1.00 64.11 H new ATOM 441 N THR A 34 -11.665 18.682 15.539 1.00 72.01 N ATOM 442 CA THR A 34 -13.024 18.788 16.055 1.00 11.13 C ATOM 443 C THR A 34 -13.989 17.930 15.243 1.00 71.13 C ATOM 444 O THR A 34 -14.788 17.179 15.803 1.00 11.50 O ATOM 445 CB THR A 34 -13.518 20.247 16.041 1.00 21.13 C ATOM 446 OG1 THR A 34 -14.929 20.289 16.280 1.00 54.21 O ATOM 447 CG2 THR A 34 -13.204 20.912 14.709 1.00 60.34 C ATOM 0 H THR A 34 -11.107 19.530 15.642 1.00 72.01 H new ATOM 0 HA THR A 34 -13.000 18.430 17.084 1.00 11.13 H new ATOM 0 HB THR A 34 -13.000 20.790 16.831 1.00 21.13 H new ATOM 0 HG1 THR A 34 -15.235 21.220 16.271 1.00 54.21 H new ATOM 0 HG21 THR A 34 -13.562 21.941 14.723 1.00 60.34 H new ATOM 0 HG22 THR A 34 -12.127 20.905 14.544 1.00 60.34 H new ATOM 0 HG23 THR A 34 -13.698 20.367 13.905 1.00 60.34 H new ATOM 604 N PRO A 46 -11.439 0.536 21.086 1.00 15.42 N ATOM 605 CA PRO A 46 -11.246 0.617 22.536 1.00 50.01 C ATOM 606 C PRO A 46 -10.382 -0.521 23.071 1.00 10.22 C ATOM 607 O PRO A 46 -9.829 -0.431 24.166 1.00 22.33 O ATOM 608 CB PRO A 46 -12.669 0.512 23.090 1.00 64.12 C ATOM 609 CG PRO A 46 -13.431 -0.223 22.042 1.00 25.33 C ATOM 610 CD PRO A 46 -12.824 0.184 20.727 1.00 63.25 C ATOM 0 HA PRO A 46 -10.726 1.530 22.827 1.00 50.01 H new ATOM 0 HB2 PRO A 46 -12.686 -0.023 24.040 1.00 64.12 H new ATOM 0 HB3 PRO A 46 -13.097 1.498 23.272 1.00 64.12 H new ATOM 0 HG2 PRO A 46 -13.357 -1.300 22.189 1.00 25.33 H new ATOM 0 HG3 PRO A 46 -14.490 0.032 22.079 1.00 25.33 H new ATOM 0 HD2 PRO A 46 -12.857 -0.628 20.001 1.00 63.25 H new ATOM 0 HD3 PRO A 46 -13.352 1.029 20.285 1.00 63.25 H new ATOM 615 N GLU A 47 -10.269 -1.590 22.289 1.00 4.14 N ATOM 616 CA GLU A 47 -9.471 -2.745 22.684 1.00 74.30 C ATOM 617 C GLU A 47 -8.035 -2.609 22.190 1.00 64.14 C ATOM 618 O GLU A 47 -7.183 -3.447 22.487 1.00 1.51 O ATOM 619 CB GLU A 47 -10.091 -4.032 22.137 1.00 14.20 C ATOM 620 CG GLU A 47 -10.396 -3.976 20.649 1.00 50.11 C ATOM 621 CD GLU A 47 -10.294 -5.333 19.980 1.00 44.23 C ATOM 622 OE1 GLU A 47 -11.260 -6.118 20.079 1.00 72.43 O ATOM 623 OE2 GLU A 47 -9.247 -5.609 19.358 1.00 51.14 O ATOM 0 H GLU A 47 -10.720 -1.680 21.378 1.00 4.14 H new ATOM 0 HA GLU A 47 -9.459 -2.791 23.773 1.00 74.30 H new ATOM 0 HB2 GLU A 47 -9.412 -4.863 22.329 1.00 14.20 H new ATOM 0 HB3 GLU A 47 -11.012 -4.241 22.681 1.00 14.20 H new ATOM 0 HG2 GLU A 47 -11.400 -3.578 20.503 1.00 50.11 H new ATOM 0 HG3 GLU A 47 -9.705 -3.285 20.166 1.00 50.11 H new ATOM 628 N ASP A 48 -7.773 -1.547 21.436 1.00 43.23 N ATOM 629 CA ASP A 48 -6.439 -1.299 20.901 1.00 12.32 C ATOM 630 C ASP A 48 -5.585 -0.530 21.904 1.00 60.04 C ATOM 631 O ASP A 48 -4.485 -0.082 21.583 1.00 2.43 O ATOM 632 CB ASP A 48 -6.530 -0.521 19.587 1.00 40.52 C ATOM 633 CG ASP A 48 -5.345 -0.781 18.678 1.00 44.34 C ATOM 634 OD1 ASP A 48 -5.061 -1.964 18.395 1.00 4.21 O ATOM 635 OD2 ASP A 48 -4.701 0.199 18.249 1.00 41.51 O ATOM 0 H ASP A 48 -8.467 -0.844 21.181 1.00 43.23 H new ATOM 0 HA ASP A 48 -5.965 -2.262 20.712 1.00 12.32 H new ATOM 0 HB2 ASP A 48 -7.449 -0.795 19.069 1.00 40.52 H new ATOM 0 HB3 ASP A 48 -6.592 0.546 19.803 1.00 40.52 H new ATOM 639 N ASN A 49 -6.100 -0.380 23.120 1.00 1.31 N ATOM 640 CA ASN A 49 -5.385 0.337 24.170 1.00 33.23 C ATOM 641 C ASN A 49 -4.228 -0.498 24.707 1.00 42.34 C ATOM 642 O ASN A 49 -3.325 0.021 25.365 1.00 53.21 O ATOM 643 CB ASN A 49 -6.340 0.699 25.309 1.00 70.03 C ATOM 644 CG ASN A 49 -5.757 1.743 26.242 1.00 74.34 C ATOM 645 OD1 ASN A 49 -5.337 2.815 25.807 1.00 71.21 O ATOM 646 ND2 ASN A 49 -5.729 1.432 27.534 1.00 4.44 N ATOM 0 H ASN A 49 -7.009 -0.745 23.403 1.00 1.31 H new ATOM 0 HA ASN A 49 -4.979 1.253 23.740 1.00 33.23 H new ATOM 0 HB2 ASN A 49 -7.275 1.071 24.891 1.00 70.03 H new ATOM 0 HB3 ASN A 49 -6.580 -0.199 25.878 1.00 70.03 H new ATOM 0 HD21 ASN A 49 -5.348 2.094 28.210 1.00 4.44 H new ATOM 0 HD22 ASN A 49 -6.088 0.531 27.850 1.00 4.44 H new ATOM 652 N LYS A 50 -4.258 -1.796 24.422 1.00 1.55 N ATOM 653 CA LYS A 50 -3.211 -2.705 24.874 1.00 25.43 C ATOM 654 C LYS A 50 -2.104 -2.819 23.831 1.00 64.13 C ATOM 655 O LYS A 50 -1.015 -3.317 24.120 1.00 14.04 O ATOM 656 CB LYS A 50 -3.797 -4.087 25.164 1.00 73.21 C ATOM 657 CG LYS A 50 -2.818 -5.036 25.831 1.00 45.23 C ATOM 658 CD LYS A 50 -2.511 -6.234 24.948 1.00 54.12 C ATOM 659 CE LYS A 50 -2.260 -7.486 25.773 1.00 74.21 C ATOM 660 NZ LYS A 50 -3.352 -8.487 25.609 1.00 70.33 N ATOM 0 H LYS A 50 -4.997 -2.242 23.879 1.00 1.55 H new ATOM 0 HA LYS A 50 -2.783 -2.300 25.791 1.00 25.43 H new ATOM 0 HB2 LYS A 50 -4.673 -3.974 25.803 1.00 73.21 H new ATOM 0 HB3 LYS A 50 -4.140 -4.530 24.229 1.00 73.21 H new ATOM 0 HG2 LYS A 50 -1.894 -4.505 26.059 1.00 45.23 H new ATOM 0 HG3 LYS A 50 -3.231 -5.379 26.780 1.00 45.23 H new ATOM 0 HD2 LYS A 50 -3.344 -6.407 24.266 1.00 54.12 H new ATOM 0 HD3 LYS A 50 -1.636 -6.020 24.334 1.00 54.12 H new ATOM 0 HE2 LYS A 50 -1.311 -7.932 25.476 1.00 74.21 H new ATOM 0 HE3 LYS A 50 -2.170 -7.216 26.825 1.00 74.21 H new ATOM 0 HZ1 LYS A 50 -3.144 -9.326 26.187 1.00 70.33 H new ATOM 0 HZ2 LYS A 50 -4.254 -8.070 25.916 1.00 70.33 H new ATOM 0 HZ3 LYS A 50 -3.421 -8.764 24.609 1.00 70.33 H new ATOM 670 N GLY A 51 -2.387 -2.353 22.619 1.00 45.01 N ATOM 671 CA GLY A 51 -1.404 -2.411 21.553 1.00 43.41 C ATOM 672 C GLY A 51 -0.400 -1.277 21.627 1.00 50.21 C ATOM 673 O GLY A 51 0.719 -1.396 21.130 1.00 3.32 O ATOM 0 H GLY A 51 -3.280 -1.936 22.356 1.00 45.01 H new ATOM 0 HA2 GLY A 51 -0.876 -3.363 21.601 1.00 43.41 H new ATOM 0 HA3 GLY A 51 -1.914 -2.378 20.590 1.00 43.41 H new ATOM 676 N VAL A 52 -0.802 -0.173 22.248 1.00 20.42 N ATOM 677 CA VAL A 52 0.069 0.989 22.384 1.00 3.40 C ATOM 678 C VAL A 52 1.188 0.721 23.384 1.00 75.23 C ATOM 679 O VAL A 52 2.325 1.151 23.190 1.00 60.43 O ATOM 680 CB VAL A 52 -0.720 2.233 22.833 1.00 72.13 C ATOM 681 CG1 VAL A 52 -1.864 2.516 21.871 1.00 51.44 C ATOM 682 CG2 VAL A 52 -1.238 2.051 24.252 1.00 24.41 C ATOM 0 H VAL A 52 -1.726 -0.058 22.665 1.00 20.42 H new ATOM 0 HA VAL A 52 0.501 1.178 21.401 1.00 3.40 H new ATOM 0 HB VAL A 52 -0.048 3.091 22.823 1.00 72.13 H new ATOM 0 HG11 VAL A 52 -2.410 3.398 22.205 1.00 51.44 H new ATOM 0 HG12 VAL A 52 -1.464 2.693 20.872 1.00 51.44 H new ATOM 0 HG13 VAL A 52 -2.538 1.660 21.846 1.00 51.44 H new ATOM 0 HG21 VAL A 52 -1.793 2.939 24.553 1.00 24.41 H new ATOM 0 HG22 VAL A 52 -1.895 1.182 24.291 1.00 24.41 H new ATOM 0 HG23 VAL A 52 -0.398 1.901 24.930 1.00 24.41 H new ATOM 692 N PHE A 53 0.858 0.007 24.456 1.00 75.50 N ATOM 693 CA PHE A 53 1.835 -0.317 25.489 1.00 15.45 C ATOM 694 C PHE A 53 2.599 -1.590 25.134 1.00 20.23 C ATOM 695 O PHE A 53 3.549 -1.967 25.819 1.00 74.35 O ATOM 696 CB PHE A 53 1.141 -0.487 26.842 1.00 40.41 C ATOM 697 CG PHE A 53 0.720 0.812 27.466 1.00 74.34 C ATOM 698 CD1 PHE A 53 1.613 1.556 28.220 1.00 45.45 C ATOM 699 CD2 PHE A 53 -0.570 1.290 27.302 1.00 12.33 C ATOM 700 CE1 PHE A 53 1.230 2.752 28.797 1.00 2.35 C ATOM 701 CE2 PHE A 53 -0.960 2.486 27.874 1.00 41.14 C ATOM 702 CZ PHE A 53 -0.059 3.217 28.624 1.00 22.01 C ATOM 0 H PHE A 53 -0.078 -0.358 24.632 1.00 75.50 H new ATOM 0 HA PHE A 53 2.545 0.507 25.554 1.00 15.45 H new ATOM 0 HB2 PHE A 53 0.264 -1.121 26.714 1.00 40.41 H new ATOM 0 HB3 PHE A 53 1.814 -1.007 27.524 1.00 40.41 H new ATOM 0 HD1 PHE A 53 2.622 1.197 28.359 1.00 45.45 H new ATOM 0 HD2 PHE A 53 -1.280 0.721 26.720 1.00 12.33 H new ATOM 0 HE1 PHE A 53 1.937 3.322 29.382 1.00 2.35 H new ATOM 0 HE2 PHE A 53 -1.968 2.849 27.735 1.00 41.14 H new ATOM 0 HZ PHE A 53 -0.362 4.151 29.074 1.00 22.01 H new ATOM 711 N GLN A 54 2.176 -2.245 24.057 1.00 74.45 N ATOM 712 CA GLN A 54 2.820 -3.476 23.612 1.00 14.12 C ATOM 713 C GLN A 54 4.288 -3.232 23.276 1.00 75.43 C ATOM 714 O GLN A 54 5.104 -4.152 23.311 1.00 74.44 O ATOM 715 CB GLN A 54 2.093 -4.043 22.391 1.00 41.01 C ATOM 716 CG GLN A 54 2.843 -5.176 21.709 1.00 31.11 C ATOM 717 CD GLN A 54 3.009 -6.388 22.604 1.00 31.23 C ATOM 718 OE1 GLN A 54 2.069 -6.809 23.279 1.00 2.42 O ATOM 719 NE2 GLN A 54 4.208 -6.958 22.613 1.00 64.42 N ATOM 0 H GLN A 54 1.392 -1.945 23.478 1.00 74.45 H new ATOM 0 HA GLN A 54 2.768 -4.199 24.426 1.00 14.12 H new ATOM 0 HB2 GLN A 54 1.110 -4.401 22.698 1.00 41.01 H new ATOM 0 HB3 GLN A 54 1.930 -3.241 21.671 1.00 41.01 H new ATOM 0 HG2 GLN A 54 2.309 -5.467 20.805 1.00 31.11 H new ATOM 0 HG3 GLN A 54 3.826 -4.821 21.399 1.00 31.11 H new ATOM 0 HE21 GLN A 54 4.959 -6.576 22.038 1.00 64.42 H new ATOM 0 HE22 GLN A 54 4.378 -7.778 23.195 1.00 64.42 H new ATOM 726 N GLY A 55 4.616 -1.985 22.952 1.00 71.13 N ATOM 727 CA GLY A 55 5.985 -1.643 22.615 1.00 52.24 C ATOM 728 C GLY A 55 6.787 -1.201 23.824 1.00 1.53 C ATOM 729 O GLY A 55 7.914 -1.651 24.028 1.00 2.10 O ATOM 0 H GLY A 55 3.958 -1.206 22.917 1.00 71.13 H new ATOM 0 HA2 GLY A 55 6.469 -2.505 22.157 1.00 52.24 H new ATOM 0 HA3 GLY A 55 5.985 -0.846 21.872 1.00 52.24 H new ATOM 732 N VAL A 56 6.205 -0.316 24.626 1.00 74.10 N ATOM 733 CA VAL A 56 6.873 0.188 25.820 1.00 70.44 C ATOM 734 C VAL A 56 7.016 -0.906 26.872 1.00 50.13 C ATOM 735 O VAL A 56 8.021 -0.973 27.581 1.00 42.30 O ATOM 736 CB VAL A 56 6.107 1.376 26.432 1.00 0.12 C ATOM 737 CG1 VAL A 56 6.059 2.540 25.454 1.00 4.21 C ATOM 738 CG2 VAL A 56 4.705 0.953 26.839 1.00 30.43 C ATOM 0 H VAL A 56 5.272 0.067 24.471 1.00 74.10 H new ATOM 0 HA VAL A 56 7.863 0.524 25.511 1.00 70.44 H new ATOM 0 HB VAL A 56 6.636 1.705 27.326 1.00 0.12 H new ATOM 0 HG11 VAL A 56 5.514 3.370 25.903 1.00 4.21 H new ATOM 0 HG12 VAL A 56 7.074 2.858 25.217 1.00 4.21 H new ATOM 0 HG13 VAL A 56 5.554 2.227 24.540 1.00 4.21 H new ATOM 0 HG21 VAL A 56 4.178 1.805 27.269 1.00 30.43 H new ATOM 0 HG22 VAL A 56 4.164 0.597 25.963 1.00 30.43 H new ATOM 0 HG23 VAL A 56 4.766 0.154 27.577 1.00 30.43 H new ATOM 748 N HIS A 57 6.004 -1.762 26.969 1.00 70.40 N ATOM 749 CA HIS A 57 6.017 -2.855 27.936 1.00 20.34 C ATOM 750 C HIS A 57 7.314 -3.653 27.835 1.00 34.22 C ATOM 751 O HIS A 57 7.970 -3.917 28.843 1.00 42.42 O ATOM 752 CB HIS A 57 4.818 -3.777 27.710 1.00 70.32 C ATOM 753 CG HIS A 57 4.811 -4.979 28.603 1.00 72.34 C ATOM 754 ND1 HIS A 57 5.458 -6.155 28.288 1.00 44.23 N ATOM 755 CD2 HIS A 57 4.232 -5.182 29.810 1.00 55.05 C ATOM 756 CE1 HIS A 57 5.277 -7.030 29.261 1.00 33.35 C ATOM 757 NE2 HIS A 57 4.536 -6.465 30.197 1.00 30.14 N ATOM 0 H HIS A 57 5.165 -1.720 26.391 1.00 70.40 H new ATOM 0 HA HIS A 57 5.952 -2.425 28.936 1.00 20.34 H new ATOM 0 HB2 HIS A 57 3.900 -3.211 27.869 1.00 70.32 H new ATOM 0 HB3 HIS A 57 4.814 -4.106 26.671 1.00 70.32 H new ATOM 0 HD2 HIS A 57 3.641 -4.468 30.365 1.00 55.05 H new ATOM 0 HE1 HIS A 57 5.668 -8.036 29.287 1.00 33.35 H new ATOM 0 HE2 HIS A 57 4.238 -6.909 31.066 1.00 30.14 H new ATOM 764 N ASP A 58 7.675 -4.034 26.616 1.00 11.44 N ATOM 765 CA ASP A 58 8.893 -4.801 26.383 1.00 73.24 C ATOM 766 C ASP A 58 10.130 -3.932 26.587 1.00 15.42 C ATOM 767 O ASP A 58 11.229 -4.441 26.805 1.00 63.42 O ATOM 768 CB ASP A 58 8.892 -5.386 24.970 1.00 15.13 C ATOM 769 CG ASP A 58 9.829 -6.569 24.832 1.00 62.21 C ATOM 770 OD1 ASP A 58 11.048 -6.344 24.673 1.00 55.22 O ATOM 771 OD2 ASP A 58 9.346 -7.719 24.883 1.00 14.23 O ATOM 0 H ASP A 58 7.141 -3.824 25.772 1.00 11.44 H new ATOM 0 HA ASP A 58 8.922 -5.617 27.105 1.00 73.24 H new ATOM 0 HB2 ASP A 58 7.880 -5.696 24.709 1.00 15.13 H new ATOM 0 HB3 ASP A 58 9.182 -4.612 24.259 1.00 15.13 H new ATOM 775 N SER A 59 9.942 -2.619 26.510 1.00 63.31 N ATOM 776 CA SER A 59 11.044 -1.678 26.680 1.00 64.34 C ATOM 777 C SER A 59 11.334 -1.443 28.160 1.00 70.33 C ATOM 778 O SER A 59 12.466 -1.149 28.543 1.00 43.15 O ATOM 779 CB SER A 59 10.719 -0.349 25.996 1.00 34.20 C ATOM 780 OG SER A 59 11.319 -0.275 24.715 1.00 42.41 O ATOM 0 H SER A 59 9.038 -2.182 26.331 1.00 63.31 H new ATOM 0 HA SER A 59 11.931 -2.109 26.217 1.00 64.34 H new ATOM 0 HB2 SER A 59 9.639 -0.239 25.902 1.00 34.20 H new ATOM 0 HB3 SER A 59 11.071 0.477 26.614 1.00 34.20 H new ATOM 0 HG SER A 59 11.095 0.583 24.298 1.00 42.41 H new ATOM 785 N ALA A 60 10.302 -1.575 28.987 1.00 54.42 N ATOM 786 CA ALA A 60 10.445 -1.379 30.424 1.00 53.35 C ATOM 787 C ALA A 60 10.804 -2.687 31.123 1.00 20.13 C ATOM 788 O ALA A 60 10.782 -2.771 32.351 1.00 43.41 O ATOM 789 CB ALA A 60 9.165 -0.801 31.008 1.00 60.01 C ATOM 0 H ALA A 60 9.358 -1.817 28.686 1.00 54.42 H new ATOM 0 HA ALA A 60 11.258 -0.673 30.590 1.00 53.35 H new ATOM 0 HB1 ALA A 60 9.286 -0.660 32.082 1.00 60.01 H new ATOM 0 HB2 ALA A 60 8.952 0.159 30.538 1.00 60.01 H new ATOM 0 HB3 ALA A 60 8.339 -1.487 30.823 1.00 60.01 H new ATOM 795 N GLU A 61 11.131 -3.705 30.333 1.00 4.03 N ATOM 796 CA GLU A 61 11.492 -5.008 30.878 1.00 4.42 C ATOM 797 C GLU A 61 12.565 -4.870 31.954 1.00 64.32 C ATOM 798 O GLU A 61 12.601 -5.640 32.914 1.00 40.23 O ATOM 799 CB GLU A 61 11.988 -5.932 29.763 1.00 45.44 C ATOM 800 CG GLU A 61 12.506 -7.269 30.267 1.00 4.51 C ATOM 801 CD GLU A 61 13.985 -7.234 30.601 1.00 3.42 C ATOM 802 OE1 GLU A 61 14.593 -6.150 30.483 1.00 63.51 O ATOM 803 OE2 GLU A 61 14.534 -8.289 30.977 1.00 51.44 O ATOM 0 H GLU A 61 11.153 -3.652 29.315 1.00 4.03 H new ATOM 0 HA GLU A 61 10.601 -5.443 31.332 1.00 4.42 H new ATOM 0 HB2 GLU A 61 11.174 -6.109 29.060 1.00 45.44 H new ATOM 0 HB3 GLU A 61 12.782 -5.429 29.211 1.00 45.44 H new ATOM 0 HG2 GLU A 61 11.944 -7.561 31.154 1.00 4.51 H new ATOM 0 HG3 GLU A 61 12.326 -8.033 29.510 1.00 4.51 H new ATOM 808 N LYS A 62 13.438 -3.882 31.788 1.00 42.50 N ATOM 809 CA LYS A 62 14.512 -3.640 32.744 1.00 54.33 C ATOM 810 C LYS A 62 13.962 -3.070 34.048 1.00 4.34 C ATOM 811 O LYS A 62 14.383 -3.462 35.134 1.00 22.33 O ATOM 812 CB LYS A 62 15.545 -2.681 32.149 1.00 63.32 C ATOM 813 CG LYS A 62 16.766 -2.480 33.030 1.00 70.23 C ATOM 814 CD LYS A 62 17.722 -3.657 32.934 1.00 3.10 C ATOM 815 CE LYS A 62 17.405 -4.719 33.975 1.00 51.23 C ATOM 816 NZ LYS A 62 18.639 -5.368 34.499 1.00 42.23 N ATOM 0 H LYS A 62 13.423 -3.235 30.999 1.00 42.50 H new ATOM 0 HA LYS A 62 14.994 -4.593 32.961 1.00 54.33 H new ATOM 0 HB2 LYS A 62 15.866 -3.062 31.179 1.00 63.32 H new ATOM 0 HB3 LYS A 62 15.072 -1.715 31.972 1.00 63.32 H new ATOM 0 HG2 LYS A 62 17.282 -1.566 32.736 1.00 70.23 H new ATOM 0 HG3 LYS A 62 16.451 -2.349 34.065 1.00 70.23 H new ATOM 0 HD2 LYS A 62 17.663 -4.094 31.937 1.00 3.10 H new ATOM 0 HD3 LYS A 62 18.746 -3.308 33.069 1.00 3.10 H new ATOM 0 HE2 LYS A 62 16.855 -4.266 34.800 1.00 51.23 H new ATOM 0 HE3 LYS A 62 16.755 -5.476 33.536 1.00 51.23 H new ATOM 0 HZ1 LYS A 62 18.380 -6.086 35.206 1.00 42.23 H new ATOM 0 HZ2 LYS A 62 19.152 -5.822 33.716 1.00 42.23 H new ATOM 0 HZ3 LYS A 62 19.248 -4.650 34.941 1.00 42.23 H new ATOM 826 N GLY A 63 13.017 -2.142 33.929 1.00 23.32 N ATOM 827 CA GLY A 63 12.424 -1.533 35.105 1.00 63.14 C ATOM 828 C GLY A 63 11.200 -2.283 35.591 1.00 72.34 C ATOM 829 O GLY A 63 10.480 -1.808 36.471 1.00 11.21 O ATOM 0 H GLY A 63 12.652 -1.801 33.040 1.00 23.32 H new ATOM 0 HA2 GLY A 63 13.165 -1.496 35.904 1.00 63.14 H new ATOM 0 HA3 GLY A 63 12.149 -0.503 34.878 1.00 63.14 H new ATOM 832 N LYS A 64 10.960 -3.457 35.017 1.00 61.14 N ATOM 833 CA LYS A 64 9.814 -4.275 35.395 1.00 34.42 C ATOM 834 C LYS A 64 10.212 -5.323 36.430 1.00 34.34 C ATOM 835 O LYS A 64 9.612 -6.396 36.502 1.00 24.45 O ATOM 836 CB LYS A 64 9.220 -4.959 34.162 1.00 74.14 C ATOM 837 CG LYS A 64 7.726 -4.735 34.002 1.00 4.41 C ATOM 838 CD LYS A 64 7.423 -3.330 33.508 1.00 71.12 C ATOM 839 CE LYS A 64 6.977 -2.423 34.645 1.00 71.14 C ATOM 840 NZ LYS A 64 5.824 -1.568 34.252 1.00 35.24 N ATOM 0 H LYS A 64 11.545 -3.864 34.287 1.00 61.14 H new ATOM 0 HA LYS A 64 9.062 -3.621 35.837 1.00 34.42 H new ATOM 0 HB2 LYS A 64 9.731 -4.592 33.272 1.00 74.14 H new ATOM 0 HB3 LYS A 64 9.414 -6.030 34.222 1.00 74.14 H new ATOM 0 HG2 LYS A 64 7.321 -5.464 33.300 1.00 4.41 H new ATOM 0 HG3 LYS A 64 7.228 -4.901 34.957 1.00 4.41 H new ATOM 0 HD2 LYS A 64 8.310 -2.911 33.034 1.00 71.12 H new ATOM 0 HD3 LYS A 64 6.644 -3.371 32.747 1.00 71.12 H new ATOM 0 HE2 LYS A 64 6.702 -3.030 35.507 1.00 71.14 H new ATOM 0 HE3 LYS A 64 7.810 -1.791 34.953 1.00 71.14 H new ATOM 0 HZ1 LYS A 64 5.550 -0.965 35.054 1.00 35.24 H new ATOM 0 HZ2 LYS A 64 6.094 -0.970 33.445 1.00 35.24 H new ATOM 0 HZ3 LYS A 64 5.021 -2.171 33.982 1.00 35.24 H new ATOM 850 N ASP A 65 11.223 -5.004 37.229 1.00 12.41 N ATOM 851 CA ASP A 65 11.698 -5.918 38.261 1.00 61.13 C ATOM 852 C ASP A 65 11.373 -5.383 39.652 1.00 65.15 C ATOM 853 O ASP A 65 11.883 -5.882 40.654 1.00 70.42 O ATOM 854 CB ASP A 65 13.207 -6.136 38.125 1.00 32.34 C ATOM 855 CG ASP A 65 13.653 -7.468 38.696 1.00 73.20 C ATOM 856 OD1 ASP A 65 12.822 -8.399 38.750 1.00 63.43 O ATOM 857 OD2 ASP A 65 14.833 -7.579 39.087 1.00 64.14 O ATOM 0 H ASP A 65 11.730 -4.120 37.182 1.00 12.41 H new ATOM 0 HA ASP A 65 11.187 -6.872 38.129 1.00 61.13 H new ATOM 0 HB2 ASP A 65 13.485 -6.084 37.072 1.00 32.34 H new ATOM 0 HB3 ASP A 65 13.735 -5.330 38.635 1.00 32.34 H new ATOM 861 N ASN A 66 10.522 -4.364 39.704 1.00 61.41 N ATOM 862 CA ASN A 66 10.129 -3.760 40.972 1.00 64.24 C ATOM 863 C ASN A 66 9.881 -4.830 42.032 1.00 11.33 C ATOM 864 O ASN A 66 10.152 -4.623 43.214 1.00 22.15 O ATOM 865 CB ASN A 66 8.872 -2.908 40.788 1.00 73.42 C ATOM 866 CG ASN A 66 7.639 -3.748 40.518 1.00 73.11 C ATOM 867 OD1 ASN A 66 7.773 -4.727 39.631 1.00 10.13 O flip ATOM 868 ND2 ASN A 66 6.579 -3.519 41.100 1.00 52.04 N flip ATOM 0 H ASN A 66 10.091 -3.939 38.883 1.00 61.41 H new ATOM 0 HA ASN A 66 10.946 -3.122 41.309 1.00 64.24 H new ATOM 0 HB2 ASN A 66 8.710 -2.307 41.682 1.00 73.42 H new ATOM 0 HB3 ASN A 66 9.024 -2.215 39.961 1.00 73.42 H new ATOM 0 HD21 ASN A 66 6.522 -2.756 41.774 1.00 52.04 H new ATOM 0 HD22 ASN A 66 5.758 -4.092 40.908 1.00 52.04 H new ATOM 874 N ALA A 67 9.365 -5.976 41.598 1.00 22.25 N ATOM 875 CA ALA A 67 9.083 -7.079 42.508 1.00 4.23 C ATOM 876 C ALA A 67 10.279 -7.369 43.407 1.00 24.54 C ATOM 877 O ALA A 67 10.136 -7.494 44.623 1.00 51.21 O ATOM 878 CB ALA A 67 8.697 -8.325 41.722 1.00 65.51 C ATOM 0 H ALA A 67 9.134 -6.164 40.622 1.00 22.25 H new ATOM 0 HA ALA A 67 8.246 -6.789 43.144 1.00 4.23 H new ATOM 0 HB1 ALA A 67 8.489 -9.141 42.414 1.00 65.51 H new ATOM 0 HB2 ALA A 67 7.808 -8.118 41.126 1.00 65.51 H new ATOM 0 HB3 ALA A 67 9.518 -8.608 41.063 1.00 65.51 H new ATOM 947 N LEU A 74 5.343 -4.918 50.631 1.00 4.33 N ATOM 948 CA LEU A 74 5.521 -3.765 49.755 1.00 33.23 C ATOM 949 C LEU A 74 4.827 -2.533 50.328 1.00 64.05 C ATOM 950 O LEU A 74 5.053 -1.413 49.872 1.00 43.15 O ATOM 951 CB LEU A 74 4.970 -4.070 48.360 1.00 24.20 C ATOM 952 CG LEU A 74 5.501 -5.339 47.692 1.00 32.32 C ATOM 953 CD1 LEU A 74 4.659 -5.693 46.476 1.00 51.42 C ATOM 954 CD2 LEU A 74 6.961 -5.164 47.300 1.00 12.21 C ATOM 0 HA LEU A 74 6.589 -3.558 49.681 1.00 33.23 H new ATOM 0 HB2 LEU A 74 3.885 -4.146 48.428 1.00 24.20 H new ATOM 0 HB3 LEU A 74 5.190 -3.222 47.711 1.00 24.20 H new ATOM 0 HG LEU A 74 5.434 -6.159 48.407 1.00 32.32 H new ATOM 0 HD11 LEU A 74 5.051 -6.599 46.013 1.00 51.42 H new ATOM 0 HD12 LEU A 74 3.627 -5.861 46.784 1.00 51.42 H new ATOM 0 HD13 LEU A 74 4.695 -4.874 45.758 1.00 51.42 H new ATOM 0 HD21 LEU A 74 7.322 -6.077 46.826 1.00 12.21 H new ATOM 0 HD22 LEU A 74 7.053 -4.332 46.602 1.00 12.21 H new ATOM 0 HD23 LEU A 74 7.555 -4.958 48.191 1.00 12.21 H new ATOM 965 N ALA A 75 3.986 -2.749 51.335 1.00 0.21 N ATOM 966 CA ALA A 75 3.265 -1.656 51.974 1.00 34.13 C ATOM 967 C ALA A 75 4.133 -0.960 53.016 1.00 51.15 C ATOM 968 O ALA A 75 4.019 0.247 53.228 1.00 1.15 O ATOM 969 CB ALA A 75 1.982 -2.172 52.612 1.00 3.02 C ATOM 0 H ALA A 75 3.788 -3.670 51.725 1.00 0.21 H new ATOM 0 HA ALA A 75 3.009 -0.925 51.207 1.00 34.13 H new ATOM 0 HB1 ALA A 75 1.453 -1.345 53.086 1.00 3.02 H new ATOM 0 HB2 ALA A 75 1.348 -2.617 51.845 1.00 3.02 H new ATOM 0 HB3 ALA A 75 2.226 -2.924 53.362 1.00 3.02 H new ATOM 975 N ASP A 76 5.000 -1.729 53.666 1.00 3.24 N ATOM 976 CA ASP A 76 5.888 -1.186 54.687 1.00 4.51 C ATOM 977 C ASP A 76 6.759 -0.073 54.113 1.00 44.00 C ATOM 978 O ASP A 76 6.990 0.946 54.764 1.00 73.44 O ATOM 979 CB ASP A 76 6.770 -2.292 55.266 1.00 43.42 C ATOM 980 CG ASP A 76 7.291 -1.954 56.649 1.00 61.22 C ATOM 981 OD1 ASP A 76 6.489 -1.971 57.606 1.00 73.02 O ATOM 982 OD2 ASP A 76 8.501 -1.671 56.775 1.00 32.11 O ATOM 0 H ASP A 76 5.107 -2.730 53.504 1.00 3.24 H new ATOM 0 HA ASP A 76 5.273 -0.768 55.484 1.00 4.51 H new ATOM 0 HB2 ASP A 76 6.200 -3.220 55.313 1.00 43.42 H new ATOM 0 HB3 ASP A 76 7.612 -2.468 54.597 1.00 43.42 H new ATOM 986 N GLN A 77 7.240 -0.275 52.890 1.00 21.45 N ATOM 987 CA GLN A 77 8.087 0.712 52.230 1.00 33.40 C ATOM 988 C GLN A 77 7.244 1.801 51.575 1.00 34.25 C ATOM 989 O GLN A 77 7.583 2.983 51.637 1.00 54.01 O ATOM 990 CB GLN A 77 8.971 0.036 51.182 1.00 13.13 C ATOM 991 CG GLN A 77 9.390 -1.376 51.557 1.00 75.44 C ATOM 992 CD GLN A 77 10.803 -1.703 51.117 1.00 72.03 C ATOM 993 OE1 GLN A 77 11.030 -2.666 50.384 1.00 52.40 O ATOM 994 NE2 GLN A 77 11.763 -0.900 51.562 1.00 55.24 N ATOM 0 H GLN A 77 7.058 -1.112 52.337 1.00 21.45 H new ATOM 0 HA GLN A 77 8.721 1.174 52.987 1.00 33.40 H new ATOM 0 HB2 GLN A 77 8.437 0.007 50.232 1.00 13.13 H new ATOM 0 HB3 GLN A 77 9.864 0.642 51.027 1.00 13.13 H new ATOM 0 HG2 GLN A 77 9.313 -1.499 52.637 1.00 75.44 H new ATOM 0 HG3 GLN A 77 8.699 -2.088 51.105 1.00 75.44 H new ATOM 0 HE21 GLN A 77 11.530 -0.113 52.168 1.00 55.24 H new ATOM 0 HE22 GLN A 77 12.733 -1.070 51.298 1.00 55.24 H new ATOM 1001 N ALA A 78 6.144 1.396 50.948 1.00 65.44 N ATOM 1002 CA ALA A 78 5.252 2.338 50.284 1.00 4.30 C ATOM 1003 C ALA A 78 5.057 3.596 51.124 1.00 54.44 C ATOM 1004 O ALA A 78 4.893 4.692 50.589 1.00 55.21 O ATOM 1005 CB ALA A 78 3.911 1.680 49.994 1.00 4.10 C ATOM 0 H ALA A 78 5.850 0.421 50.886 1.00 65.44 H new ATOM 0 HA ALA A 78 5.711 2.632 49.340 1.00 4.30 H new ATOM 0 HB1 ALA A 78 3.255 2.395 49.498 1.00 4.10 H new ATOM 0 HB2 ALA A 78 4.062 0.816 49.347 1.00 4.10 H new ATOM 0 HB3 ALA A 78 3.454 1.357 50.930 1.00 4.10 H new ATOM 1011 N ARG A 79 5.074 3.428 52.443 1.00 21.14 N ATOM 1012 CA ARG A 79 4.896 4.551 53.356 1.00 51.13 C ATOM 1013 C ARG A 79 6.175 5.376 53.459 1.00 41.03 C ATOM 1014 O ARG A 79 6.199 6.551 53.093 1.00 22.45 O ATOM 1015 CB ARG A 79 4.489 4.047 54.742 1.00 74.04 C ATOM 1016 CG ARG A 79 3.229 3.195 54.736 1.00 25.15 C ATOM 1017 CD ARG A 79 2.880 2.706 56.133 1.00 3.32 C ATOM 1018 NE ARG A 79 3.918 1.838 56.682 1.00 71.33 N ATOM 1019 CZ ARG A 79 3.720 1.012 57.705 1.00 34.34 C ATOM 1020 NH1 ARG A 79 2.529 0.943 58.283 1.00 62.34 N ATOM 1021 NH2 ARG A 79 4.713 0.254 58.149 1.00 42.02 N ATOM 0 H ARG A 79 5.209 2.527 52.902 1.00 21.14 H new ATOM 0 HA ARG A 79 4.105 5.188 52.960 1.00 51.13 H new ATOM 0 HB2 ARG A 79 5.309 3.465 55.163 1.00 74.04 H new ATOM 0 HB3 ARG A 79 4.336 4.903 55.400 1.00 74.04 H new ATOM 0 HG2 ARG A 79 2.398 3.775 54.334 1.00 25.15 H new ATOM 0 HG3 ARG A 79 3.370 2.340 54.075 1.00 25.15 H new ATOM 0 HD2 ARG A 79 2.737 3.562 56.792 1.00 3.32 H new ATOM 0 HD3 ARG A 79 1.934 2.166 56.103 1.00 3.32 H new ATOM 0 HE ARG A 79 4.845 1.867 56.258 1.00 71.33 H new ATOM 0 HH11 ARG A 79 1.763 1.524 57.943 1.00 62.34 H new ATOM 0 HH12 ARG A 79 2.379 0.309 59.068 1.00 62.34 H new ATOM 0 HH21 ARG A 79 5.630 0.304 57.706 1.00 42.02 H new ATOM 0 HH22 ARG A 79 4.560 -0.379 58.934 1.00 42.02 H new ATOM 1032 N ASP A 80 7.236 4.753 53.960 1.00 2.22 N ATOM 1033 CA ASP A 80 8.519 5.430 54.110 1.00 4.40 C ATOM 1034 C ASP A 80 9.185 5.641 52.753 1.00 72.44 C ATOM 1035 O ASP A 80 9.583 6.754 52.412 1.00 63.01 O ATOM 1036 CB ASP A 80 9.442 4.622 55.025 1.00 3.15 C ATOM 1037 CG ASP A 80 10.435 5.497 55.764 1.00 22.42 C ATOM 1038 OD1 ASP A 80 10.021 6.187 56.718 1.00 65.34 O ATOM 1039 OD2 ASP A 80 11.626 5.492 55.387 1.00 31.31 O ATOM 0 H ASP A 80 7.233 3.781 54.269 1.00 2.22 H new ATOM 0 HA ASP A 80 8.336 6.406 54.560 1.00 4.40 H new ATOM 0 HB2 ASP A 80 8.840 4.070 55.747 1.00 3.15 H new ATOM 0 HB3 ASP A 80 9.983 3.885 54.431 1.00 3.15 H new ATOM 1043 N TYR A 81 9.304 4.563 51.985 1.00 31.34 N ATOM 1044 CA TYR A 81 9.924 4.629 50.667 1.00 63.31 C ATOM 1045 C TYR A 81 9.440 5.856 49.898 1.00 51.53 C ATOM 1046 O TYR A 81 10.224 6.746 49.572 1.00 14.23 O ATOM 1047 CB TYR A 81 9.617 3.360 49.871 1.00 74.43 C ATOM 1048 CG TYR A 81 10.637 3.057 48.797 1.00 34.12 C ATOM 1049 CD1 TYR A 81 11.998 3.126 49.066 1.00 11.54 C ATOM 1050 CD2 TYR A 81 10.239 2.704 47.514 1.00 14.40 C ATOM 1051 CE1 TYR A 81 12.933 2.851 48.086 1.00 50.25 C ATOM 1052 CE2 TYR A 81 11.168 2.425 46.529 1.00 33.34 C ATOM 1053 CZ TYR A 81 12.513 2.500 46.820 1.00 43.12 C ATOM 1054 OH TYR A 81 13.441 2.225 45.842 1.00 4.31 O ATOM 0 H TYR A 81 8.979 3.634 52.253 1.00 31.34 H new ATOM 0 HA TYR A 81 11.002 4.711 50.805 1.00 63.31 H new ATOM 0 HB2 TYR A 81 9.563 2.515 50.557 1.00 74.43 H new ATOM 0 HB3 TYR A 81 8.635 3.459 49.409 1.00 74.43 H new ATOM 0 HD1 TYR A 81 12.331 3.399 50.057 1.00 11.54 H new ATOM 0 HD2 TYR A 81 9.186 2.646 47.282 1.00 14.40 H new ATOM 0 HE1 TYR A 81 13.988 2.911 48.311 1.00 50.25 H new ATOM 0 HE2 TYR A 81 10.842 2.150 45.537 1.00 33.34 H new ATOM 0 HH TYR A 81 12.980 1.993 45.009 1.00 4.31 H new ATOM 1063 N MET A 82 8.143 5.893 49.613 1.00 12.14 N ATOM 1064 CA MET A 82 7.552 7.009 48.883 1.00 65.32 C ATOM 1065 C MET A 82 8.019 8.342 49.460 1.00 64.31 C ATOM 1066 O MET A 82 8.173 9.323 48.735 1.00 30.35 O ATOM 1067 CB MET A 82 6.026 6.927 48.930 1.00 54.31 C ATOM 1068 CG MET A 82 5.426 7.485 50.211 1.00 21.03 C ATOM 1069 SD MET A 82 4.969 9.224 50.062 1.00 42.21 S ATOM 1070 CE MET A 82 3.246 9.164 50.550 1.00 0.34 C ATOM 0 H MET A 82 7.481 5.163 49.876 1.00 12.14 H new ATOM 0 HA MET A 82 7.879 6.946 47.845 1.00 65.32 H new ATOM 0 HB2 MET A 82 5.615 7.470 48.079 1.00 54.31 H new ATOM 0 HB3 MET A 82 5.723 5.886 48.820 1.00 54.31 H new ATOM 0 HG2 MET A 82 4.544 6.903 50.479 1.00 21.03 H new ATOM 0 HG3 MET A 82 6.143 7.370 51.024 1.00 21.03 H new ATOM 0 HE1 MET A 82 2.821 10.167 50.509 1.00 0.34 H new ATOM 0 HE2 MET A 82 2.698 8.510 49.872 1.00 0.34 H new ATOM 0 HE3 MET A 82 3.169 8.779 51.567 1.00 0.34 H new ATOM 1078 N GLY A 83 8.244 8.370 50.770 1.00 75.24 N ATOM 1079 CA GLY A 83 8.690 9.587 51.422 1.00 20.03 C ATOM 1080 C GLY A 83 10.160 9.867 51.182 1.00 72.33 C ATOM 1081 O GLY A 83 10.521 10.922 50.662 1.00 24.00 O ATOM 0 H GLY A 83 8.125 7.570 51.392 1.00 75.24 H new ATOM 0 HA2 GLY A 83 8.099 10.428 51.059 1.00 20.03 H new ATOM 0 HA3 GLY A 83 8.508 9.509 52.494 1.00 20.03 H new ATOM 1084 N ALA A 84 11.012 8.921 51.564 1.00 13.14 N ATOM 1085 CA ALA A 84 12.451 9.071 51.388 1.00 14.45 C ATOM 1086 C ALA A 84 12.798 9.357 49.930 1.00 53.04 C ATOM 1087 O ALA A 84 13.883 9.851 49.626 1.00 74.44 O ATOM 1088 CB ALA A 84 13.175 7.822 51.869 1.00 21.44 C ATOM 0 H ALA A 84 10.730 8.042 51.998 1.00 13.14 H new ATOM 0 HA ALA A 84 12.779 9.921 51.987 1.00 14.45 H new ATOM 0 HB1 ALA A 84 14.249 7.948 51.731 1.00 21.44 H new ATOM 0 HB2 ALA A 84 12.961 7.662 52.926 1.00 21.44 H new ATOM 0 HB3 ALA A 84 12.835 6.960 51.295 1.00 21.44 H new ATOM 1094 N ALA A 85 11.869 9.041 49.033 1.00 41.41 N ATOM 1095 CA ALA A 85 12.078 9.266 47.607 1.00 13.02 C ATOM 1096 C ALA A 85 11.551 10.633 47.184 1.00 10.42 C ATOM 1097 O ALA A 85 12.323 11.559 46.940 1.00 41.50 O ATOM 1098 CB ALA A 85 11.408 8.166 46.797 1.00 43.21 C ATOM 0 H ALA A 85 10.966 8.629 49.268 1.00 41.41 H new ATOM 0 HA ALA A 85 13.150 9.244 47.413 1.00 13.02 H new ATOM 0 HB1 ALA A 85 11.571 8.346 45.734 1.00 43.21 H new ATOM 0 HB2 ALA A 85 11.834 7.201 47.072 1.00 43.21 H new ATOM 0 HB3 ALA A 85 10.338 8.162 47.004 1.00 43.21 H new ATOM 1104 N LYS A 86 10.230 10.751 47.099 1.00 30.34 N ATOM 1105 CA LYS A 86 9.599 12.005 46.706 1.00 22.41 C ATOM 1106 C LYS A 86 10.226 13.185 47.441 1.00 0.40 C ATOM 1107 O LYS A 86 10.311 14.290 46.904 1.00 71.44 O ATOM 1108 CB LYS A 86 8.096 11.954 46.991 1.00 24.43 C ATOM 1109 CG LYS A 86 7.747 12.158 48.455 1.00 41.21 C ATOM 1110 CD LYS A 86 7.488 13.623 48.768 1.00 74.04 C ATOM 1111 CE LYS A 86 6.371 13.784 49.788 1.00 33.21 C ATOM 1112 NZ LYS A 86 6.893 13.825 51.181 1.00 64.13 N ATOM 0 H LYS A 86 9.576 9.994 47.297 1.00 30.34 H new ATOM 0 HA LYS A 86 9.756 12.142 45.636 1.00 22.41 H new ATOM 0 HB2 LYS A 86 7.596 12.719 46.397 1.00 24.43 H new ATOM 0 HB3 LYS A 86 7.705 10.990 46.664 1.00 24.43 H new ATOM 0 HG2 LYS A 86 6.864 11.570 48.705 1.00 41.21 H new ATOM 0 HG3 LYS A 86 8.562 11.790 49.079 1.00 41.21 H new ATOM 0 HD2 LYS A 86 8.400 14.082 49.150 1.00 74.04 H new ATOM 0 HD3 LYS A 86 7.225 14.151 47.852 1.00 74.04 H new ATOM 0 HE2 LYS A 86 5.819 14.701 49.580 1.00 33.21 H new ATOM 0 HE3 LYS A 86 5.667 12.958 49.688 1.00 33.21 H new ATOM 0 HZ1 LYS A 86 6.101 13.936 51.846 1.00 64.13 H new ATOM 0 HZ2 LYS A 86 7.398 12.940 51.389 1.00 64.13 H new ATOM 0 HZ3 LYS A 86 7.546 14.628 51.284 1.00 64.13 H new ATOM 1122 N SER A 87 10.666 12.943 48.672 1.00 3.11 N ATOM 1123 CA SER A 87 11.284 13.986 49.482 1.00 3.54 C ATOM 1124 C SER A 87 12.751 14.169 49.105 1.00 41.34 C ATOM 1125 O SER A 87 13.144 15.208 48.573 1.00 41.23 O ATOM 1126 CB SER A 87 11.167 13.645 50.968 1.00 32.20 C ATOM 1127 OG SER A 87 10.990 14.815 51.748 1.00 2.13 O ATOM 0 H SER A 87 10.606 12.034 49.130 1.00 3.11 H new ATOM 0 HA SER A 87 10.757 14.921 49.289 1.00 3.54 H new ATOM 0 HB2 SER A 87 10.326 12.970 51.124 1.00 32.20 H new ATOM 0 HB3 SER A 87 12.064 13.118 51.295 1.00 32.20 H new ATOM 0 HG SER A 87 10.916 14.570 52.694 1.00 2.13 H new ATOM 1132 N LYS A 88 13.559 13.151 49.383 1.00 33.00 N ATOM 1133 CA LYS A 88 14.983 13.195 49.074 1.00 21.14 C ATOM 1134 C LYS A 88 15.210 13.263 47.567 1.00 74.12 C ATOM 1135 O LYS A 88 15.781 14.228 47.058 1.00 12.23 O ATOM 1136 CB LYS A 88 15.690 11.968 49.653 1.00 41.52 C ATOM 1137 CG LYS A 88 17.082 12.263 50.185 1.00 2.20 C ATOM 1138 CD LYS A 88 18.130 11.385 49.521 1.00 10.55 C ATOM 1139 CE LYS A 88 19.336 11.176 50.424 1.00 34.33 C ATOM 1140 NZ LYS A 88 19.681 9.735 50.564 1.00 14.03 N ATOM 0 H LYS A 88 13.251 12.284 49.823 1.00 33.00 H new ATOM 0 HA LYS A 88 15.401 14.094 49.528 1.00 21.14 H new ATOM 0 HB2 LYS A 88 15.082 11.555 50.458 1.00 41.52 H new ATOM 0 HB3 LYS A 88 15.760 11.201 48.881 1.00 41.52 H new ATOM 0 HG2 LYS A 88 17.323 13.312 50.014 1.00 2.20 H new ATOM 0 HG3 LYS A 88 17.102 12.103 51.263 1.00 2.20 H new ATOM 0 HD2 LYS A 88 17.691 10.420 49.270 1.00 10.55 H new ATOM 0 HD3 LYS A 88 18.450 11.843 48.585 1.00 10.55 H new ATOM 0 HE2 LYS A 88 20.191 11.716 50.018 1.00 34.33 H new ATOM 0 HE3 LYS A 88 19.130 11.597 51.408 1.00 34.33 H new ATOM 0 HZ1 LYS A 88 20.508 9.635 51.187 1.00 14.03 H new ATOM 0 HZ2 LYS A 88 18.874 9.223 50.975 1.00 14.03 H new ATOM 0 HZ3 LYS A 88 19.902 9.339 49.628 1.00 14.03 H new ATOM 1150 N LEU A 89 14.758 12.233 46.859 1.00 61.01 N ATOM 1151 CA LEU A 89 14.911 12.177 45.409 1.00 53.44 C ATOM 1152 C LEU A 89 14.582 13.523 44.774 1.00 31.33 C ATOM 1153 O LEU A 89 15.373 14.069 44.005 1.00 74.52 O ATOM 1154 CB LEU A 89 14.009 11.089 44.824 1.00 12.51 C ATOM 1155 CG LEU A 89 14.268 10.716 43.363 1.00 23.45 C ATOM 1156 CD1 LEU A 89 13.990 9.239 43.132 1.00 31.33 C ATOM 1157 CD2 LEU A 89 13.417 11.573 42.436 1.00 11.24 C ATOM 0 H LEU A 89 14.283 11.427 47.265 1.00 61.01 H new ATOM 0 HA LEU A 89 15.951 11.937 45.187 1.00 53.44 H new ATOM 0 HB2 LEU A 89 14.116 10.191 45.432 1.00 12.51 H new ATOM 0 HB3 LEU A 89 12.973 11.415 44.917 1.00 12.51 H new ATOM 0 HG LEU A 89 15.318 10.906 43.139 1.00 23.45 H new ATOM 0 HD11 LEU A 89 14.180 8.992 42.087 1.00 31.33 H new ATOM 0 HD12 LEU A 89 14.642 8.642 43.770 1.00 31.33 H new ATOM 0 HD13 LEU A 89 12.949 9.023 43.373 1.00 31.33 H new ATOM 0 HD21 LEU A 89 13.614 11.295 41.401 1.00 11.24 H new ATOM 0 HD22 LEU A 89 12.362 11.415 42.660 1.00 11.24 H new ATOM 0 HD23 LEU A 89 13.665 12.624 42.582 1.00 11.24 H new ATOM 1168 N ASN A 90 13.408 14.055 45.101 1.00 34.44 N ATOM 1169 CA ASN A 90 12.973 15.339 44.563 1.00 25.12 C ATOM 1170 C ASN A 90 13.785 16.483 45.164 1.00 71.42 C ATOM 1171 O ASN A 90 14.494 17.195 44.453 1.00 63.24 O ATOM 1172 CB ASN A 90 11.484 15.555 44.842 1.00 3.45 C ATOM 1173 CG ASN A 90 10.800 16.346 43.743 1.00 50.02 C ATOM 1174 OD1 ASN A 90 10.601 17.555 43.866 1.00 1.44 O ATOM 1175 ND2 ASN A 90 10.436 15.666 42.663 1.00 14.51 N ATOM 0 H ASN A 90 12.741 13.616 45.736 1.00 34.44 H new ATOM 0 HA ASN A 90 13.136 15.327 43.485 1.00 25.12 H new ATOM 0 HB2 ASN A 90 10.993 14.588 44.950 1.00 3.45 H new ATOM 0 HB3 ASN A 90 11.367 16.079 45.790 1.00 3.45 H new ATOM 0 HD21 ASN A 90 9.971 16.145 41.892 1.00 14.51 H new ATOM 0 HD22 ASN A 90 10.621 14.665 42.604 1.00 14.51 H new ATOM 1181 N ASP A 91 13.676 16.651 46.478 1.00 45.30 N ATOM 1182 CA ASP A 91 14.402 17.707 47.175 1.00 21.42 C ATOM 1183 C ASP A 91 15.900 17.611 46.901 1.00 15.33 C ATOM 1184 O ASP A 91 16.645 18.563 47.128 1.00 33.22 O ATOM 1185 CB ASP A 91 14.139 17.626 48.680 1.00 44.31 C ATOM 1186 CG ASP A 91 14.533 18.899 49.405 1.00 41.33 C ATOM 1187 OD1 ASP A 91 14.090 19.986 48.980 1.00 3.52 O ATOM 1188 OD2 ASP A 91 15.284 18.807 50.399 1.00 52.35 O ATOM 0 H ASP A 91 13.093 16.071 47.081 1.00 45.30 H new ATOM 0 HA ASP A 91 14.045 18.667 46.802 1.00 21.42 H new ATOM 0 HB2 ASP A 91 13.081 17.426 48.851 1.00 44.31 H new ATOM 0 HB3 ASP A 91 14.694 16.786 49.098 1.00 44.31 H new ATOM 1192 N ALA A 92 16.333 16.453 46.413 1.00 3.40 N ATOM 1193 CA ALA A 92 17.740 16.233 46.106 1.00 64.04 C ATOM 1194 C ALA A 92 18.012 16.404 44.616 1.00 52.21 C ATOM 1195 O ALA A 92 19.097 16.827 44.217 1.00 5.00 O ATOM 1196 CB ALA A 92 18.170 14.848 46.568 1.00 2.03 C ATOM 0 H ALA A 92 15.729 15.653 46.222 1.00 3.40 H new ATOM 0 HA ALA A 92 18.324 16.981 46.642 1.00 64.04 H new ATOM 0 HB1 ALA A 92 19.223 14.697 46.332 1.00 2.03 H new ATOM 0 HB2 ALA A 92 18.023 14.762 47.645 1.00 2.03 H new ATOM 0 HB3 ALA A 92 17.572 14.092 46.058 1.00 2.03 H new ATOM 1202 N VAL A 93 17.019 16.072 43.796 1.00 51.33 N ATOM 1203 CA VAL A 93 17.151 16.190 42.349 1.00 51.21 C ATOM 1204 C VAL A 93 16.366 17.385 41.821 1.00 54.20 C ATOM 1205 O VAL A 93 16.877 18.173 41.027 1.00 1.45 O ATOM 1206 CB VAL A 93 16.665 14.915 41.636 1.00 55.41 C ATOM 1207 CG1 VAL A 93 15.182 15.014 41.315 1.00 24.23 C ATOM 1208 CG2 VAL A 93 17.476 14.668 40.373 1.00 44.24 C ATOM 0 H VAL A 93 16.115 15.719 44.110 1.00 51.33 H new ATOM 0 HA VAL A 93 18.211 16.334 42.138 1.00 51.21 H new ATOM 0 HB VAL A 93 16.812 14.068 42.306 1.00 55.41 H new ATOM 0 HG11 VAL A 93 14.857 14.104 40.811 1.00 24.23 H new ATOM 0 HG12 VAL A 93 14.617 15.139 42.239 1.00 24.23 H new ATOM 0 HG13 VAL A 93 15.007 15.871 40.664 1.00 24.23 H new ATOM 0 HG21 VAL A 93 17.119 13.763 39.882 1.00 44.24 H new ATOM 0 HG22 VAL A 93 17.364 15.516 39.697 1.00 44.24 H new ATOM 0 HG23 VAL A 93 18.528 14.548 40.633 1.00 44.24 H new ATOM 1218 N GLU A 94 15.121 17.513 42.270 1.00 5.42 N ATOM 1219 CA GLU A 94 14.265 18.613 41.841 1.00 21.41 C ATOM 1220 C GLU A 94 14.741 19.936 42.436 1.00 72.30 C ATOM 1221 O GLU A 94 14.719 20.971 41.770 1.00 0.01 O ATOM 1222 CB GLU A 94 12.815 18.349 42.251 1.00 32.41 C ATOM 1223 CG GLU A 94 11.935 17.879 41.105 1.00 33.51 C ATOM 1224 CD GLU A 94 10.516 18.407 41.205 1.00 53.41 C ATOM 1225 OE1 GLU A 94 10.346 19.588 41.570 1.00 3.23 O ATOM 1226 OE2 GLU A 94 9.576 17.636 40.918 1.00 31.34 O ATOM 0 H GLU A 94 14.683 16.870 42.930 1.00 5.42 H new ATOM 0 HA GLU A 94 14.321 18.682 40.755 1.00 21.41 H new ATOM 0 HB2 GLU A 94 12.801 17.598 43.041 1.00 32.41 H new ATOM 0 HB3 GLU A 94 12.393 19.262 42.671 1.00 32.41 H new ATOM 0 HG2 GLU A 94 12.373 18.201 40.160 1.00 33.51 H new ATOM 0 HG3 GLU A 94 11.913 16.789 41.092 1.00 33.51 H new ATOM 1231 N TYR A 95 15.168 19.893 43.693 1.00 52.44 N ATOM 1232 CA TYR A 95 15.646 21.087 44.379 1.00 64.22 C ATOM 1233 C TYR A 95 17.093 21.390 44.003 1.00 51.41 C ATOM 1234 O TYR A 95 17.445 22.532 43.705 1.00 74.24 O ATOM 1235 CB TYR A 95 15.527 20.913 45.894 1.00 51.22 C ATOM 1236 CG TYR A 95 16.395 21.866 46.683 1.00 64.43 C ATOM 1237 CD1 TYR A 95 15.990 23.174 46.919 1.00 31.40 C ATOM 1238 CD2 TYR A 95 17.622 21.459 47.194 1.00 32.24 C ATOM 1239 CE1 TYR A 95 16.780 24.049 47.638 1.00 54.15 C ATOM 1240 CE2 TYR A 95 18.419 22.326 47.916 1.00 35.11 C ATOM 1241 CZ TYR A 95 17.993 23.620 48.136 1.00 4.54 C ATOM 1242 OH TYR A 95 18.784 24.488 48.854 1.00 35.30 O ATOM 0 H TYR A 95 15.193 19.044 44.258 1.00 52.44 H new ATOM 0 HA TYR A 95 15.025 21.927 44.066 1.00 64.22 H new ATOM 0 HB2 TYR A 95 14.487 21.055 46.187 1.00 51.22 H new ATOM 0 HB3 TYR A 95 15.795 19.889 46.156 1.00 51.22 H new ATOM 0 HD1 TYR A 95 15.040 23.513 46.533 1.00 31.40 H new ATOM 0 HD2 TYR A 95 17.958 20.447 47.023 1.00 32.24 H new ATOM 0 HE1 TYR A 95 16.450 25.063 47.809 1.00 54.15 H new ATOM 0 HE2 TYR A 95 19.370 21.993 48.306 1.00 35.11 H new ATOM 0 HH TYR A 95 19.603 24.029 49.134 1.00 35.30 H new ATOM 1251 N VAL A 96 17.930 20.356 44.016 1.00 12.14 N ATOM 1252 CA VAL A 96 19.339 20.509 43.674 1.00 61.22 C ATOM 1253 C VAL A 96 19.542 20.507 42.164 1.00 73.11 C ATOM 1254 O VAL A 96 19.922 21.520 41.576 1.00 72.10 O ATOM 1255 CB VAL A 96 20.192 19.389 44.298 1.00 52.41 C ATOM 1256 CG1 VAL A 96 21.668 19.753 44.254 1.00 34.34 C ATOM 1257 CG2 VAL A 96 19.745 19.110 45.725 1.00 61.01 C ATOM 0 H VAL A 96 17.656 19.404 44.260 1.00 12.14 H new ATOM 0 HA VAL A 96 19.661 21.469 44.078 1.00 61.22 H new ATOM 0 HB VAL A 96 20.050 18.480 43.713 1.00 52.41 H new ATOM 0 HG11 VAL A 96 22.254 18.949 44.699 1.00 34.34 H new ATOM 0 HG12 VAL A 96 21.977 19.896 43.219 1.00 34.34 H new ATOM 0 HG13 VAL A 96 21.832 20.675 44.813 1.00 34.34 H new ATOM 0 HG21 VAL A 96 20.359 18.316 46.150 1.00 61.01 H new ATOM 0 HG22 VAL A 96 19.855 20.014 46.324 1.00 61.01 H new ATOM 0 HG23 VAL A 96 18.700 18.800 45.725 1.00 61.01 H new ATOM 1267 N SER A 97 19.285 19.361 41.539 1.00 22.51 N ATOM 1268 CA SER A 97 19.443 19.226 40.096 1.00 22.40 C ATOM 1269 C SER A 97 18.546 20.214 39.357 1.00 2.12 C ATOM 1270 O SER A 97 18.775 20.524 38.188 1.00 43.13 O ATOM 1271 CB SER A 97 19.116 17.797 39.658 1.00 61.33 C ATOM 1272 OG SER A 97 18.020 17.777 38.761 1.00 13.44 O ATOM 0 H SER A 97 18.967 18.514 42.010 1.00 22.51 H new ATOM 0 HA SER A 97 20.481 19.447 39.846 1.00 22.40 H new ATOM 0 HB2 SER A 97 19.989 17.351 39.181 1.00 61.33 H new ATOM 0 HB3 SER A 97 18.885 17.189 40.533 1.00 61.33 H new ATOM 0 HG SER A 97 17.187 17.914 39.259 1.00 13.44 H new ATOM 1277 N GLY A 98 17.521 20.706 40.047 1.00 64.54 N ATOM 1278 CA GLY A 98 16.605 21.654 39.441 1.00 50.23 C ATOM 1279 C GLY A 98 17.039 23.092 39.645 1.00 74.33 C ATOM 1280 O GLY A 98 16.602 23.987 38.923 1.00 20.33 O ATOM 0 H GLY A 98 17.309 20.465 41.015 1.00 64.54 H new ATOM 0 HA2 GLY A 98 16.529 21.449 38.373 1.00 50.23 H new ATOM 0 HA3 GLY A 98 15.610 21.515 39.864 1.00 50.23 H new ATOM 1283 N ARG A 99 17.899 23.314 40.634 1.00 41.32 N ATOM 1284 CA ARG A 99 18.389 24.654 40.933 1.00 43.12 C ATOM 1285 C ARG A 99 19.643 24.968 40.122 1.00 70.15 C ATOM 1286 O ARG A 99 19.724 26.001 39.458 1.00 71.11 O ATOM 1287 CB ARG A 99 18.688 24.789 42.427 1.00 11.11 C ATOM 1288 CG ARG A 99 19.691 25.884 42.752 1.00 43.51 C ATOM 1289 CD ARG A 99 19.336 26.599 44.046 1.00 22.23 C ATOM 1290 NE ARG A 99 20.511 27.177 44.692 1.00 23.54 N ATOM 1291 CZ ARG A 99 21.090 28.304 44.292 1.00 25.33 C ATOM 1292 NH1 ARG A 99 20.604 28.971 43.254 1.00 44.42 N ATOM 1293 NH2 ARG A 99 22.157 28.767 44.932 1.00 52.00 N ATOM 0 H ARG A 99 18.270 22.584 41.241 1.00 41.32 H new ATOM 0 HA ARG A 99 17.612 25.367 40.659 1.00 43.12 H new ATOM 0 HB2 ARG A 99 17.758 24.991 42.958 1.00 11.11 H new ATOM 0 HB3 ARG A 99 19.068 23.838 42.800 1.00 11.11 H new ATOM 0 HG2 ARG A 99 20.688 25.452 42.836 1.00 43.51 H new ATOM 0 HG3 ARG A 99 19.723 26.604 41.934 1.00 43.51 H new ATOM 0 HD2 ARG A 99 18.612 27.387 43.838 1.00 22.23 H new ATOM 0 HD3 ARG A 99 18.856 25.897 44.728 1.00 22.23 H new ATOM 0 HE ARG A 99 20.909 26.689 45.494 1.00 23.54 H new ATOM 0 HH11 ARG A 99 19.784 28.619 42.760 1.00 44.42 H new ATOM 0 HH12 ARG A 99 21.051 29.836 42.949 1.00 44.42 H new ATOM 0 HH21 ARG A 99 22.533 28.257 45.732 1.00 52.00 H new ATOM 0 HH22 ARG A 99 22.601 29.632 44.624 1.00 52.00 H new ATOM 1304 N VAL A 100 20.621 24.069 40.182 1.00 74.40 N ATOM 1305 CA VAL A 100 21.871 24.249 39.453 1.00 74.42 C ATOM 1306 C VAL A 100 21.626 24.318 37.950 1.00 72.42 C ATOM 1307 O VAL A 100 22.322 25.034 37.229 1.00 41.10 O ATOM 1308 CB VAL A 100 22.862 23.108 39.748 1.00 33.11 C ATOM 1309 CG1 VAL A 100 22.411 21.820 39.075 1.00 34.15 C ATOM 1310 CG2 VAL A 100 24.264 23.490 39.299 1.00 31.34 C ATOM 0 H VAL A 100 20.571 23.209 40.728 1.00 74.40 H new ATOM 0 HA VAL A 100 22.302 25.191 39.792 1.00 74.42 H new ATOM 0 HB VAL A 100 22.883 22.939 40.825 1.00 33.11 H new ATOM 0 HG11 VAL A 100 23.124 21.025 39.295 1.00 34.15 H new ATOM 0 HG12 VAL A 100 21.427 21.539 39.450 1.00 34.15 H new ATOM 0 HG13 VAL A 100 22.358 21.972 37.997 1.00 34.15 H new ATOM 0 HG21 VAL A 100 24.951 22.672 39.515 1.00 31.34 H new ATOM 0 HG22 VAL A 100 24.262 23.688 38.227 1.00 31.34 H new ATOM 0 HG23 VAL A 100 24.586 24.384 39.832 1.00 31.34 H new ATOM 1320 N HIS A 101 20.630 23.571 37.483 1.00 14.21 N ATOM 1321 CA HIS A 101 20.291 23.549 36.065 1.00 5.33 C ATOM 1322 C HIS A 101 19.160 24.526 35.760 1.00 63.24 C ATOM 1323 O HIS A 101 18.417 24.350 34.796 1.00 60.04 O ATOM 1324 CB HIS A 101 19.891 22.137 35.637 1.00 33.15 C ATOM 1325 CG HIS A 101 20.117 21.865 34.181 1.00 63.33 C ATOM 1326 ND1 HIS A 101 19.328 21.008 33.444 1.00 51.42 N ATOM 1327 CD2 HIS A 101 21.050 22.344 33.326 1.00 43.33 C ATOM 1328 CE1 HIS A 101 19.766 20.969 32.199 1.00 5.21 C ATOM 1329 NE2 HIS A 101 20.812 21.772 32.100 1.00 74.42 N ATOM 0 H HIS A 101 20.044 22.973 38.066 1.00 14.21 H new ATOM 0 HA HIS A 101 21.172 23.856 35.502 1.00 5.33 H new ATOM 0 HB2 HIS A 101 20.456 21.414 36.225 1.00 33.15 H new ATOM 0 HB3 HIS A 101 18.837 21.981 35.868 1.00 33.15 H new ATOM 0 HD2 HIS A 101 21.836 23.046 33.563 1.00 43.33 H new ATOM 0 HE1 HIS A 101 19.342 20.381 31.398 1.00 5.21 H new ATOM 0 HE2 HIS A 101 21.354 21.939 31.252 1.00 74.42 H new